@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1983 @attribute molecule_id {CHEMBL100086,CHEMBL100875,CHEMBL101686,CHEMBL101690,CHEMBL102250,CHEMBL102292,CHEMBL103424,CHEMBL103479,CHEMBL103503,CHEMBL103550,CHEMBL104026,CHEMBL104158,CHEMBL104374,CHEMBL104484,CHEMBL104496,CHEMBL104692,CHEMBL104720,CHEMBL104753,CHEMBL105025,CHEMBL105091,CHEMBL105118,CHEMBL105261,CHEMBL105327,CHEMBL105369,CHEMBL105556,CHEMBL105722,CHEMBL105743,CHEMBL105958,CHEMBL105970,CHEMBL106807,CHEMBL107511,CHEMBL107772,CHEMBL108337,CHEMBL1084132,CHEMBL1085672,CHEMBL108645,CHEMBL108722,CHEMBL108818,CHEMBL109360,CHEMBL109839,CHEMBL110317,CHEMBL110318,CHEMBL110601,CHEMBL111000,CHEMBL111107,CHEMBL111150,CHEMBL111184,CHEMBL111283,CHEMBL111284,CHEMBL111302,CHEMBL111376,CHEMBL111899,CHEMBL112507,CHEMBL112558,CHEMBL113238,CHEMBL113831,CHEMBL113868,CHEMBL113893,CHEMBL113950,CHEMBL113994,CHEMBL114012,CHEMBL114303,CHEMBL114571,CHEMBL114780,CHEMBL114877,CHEMBL115352,CHEMBL115415,CHEMBL115496,CHEMBL115663,CHEMBL115750,CHEMBL115941,CHEMBL1159649,CHEMBL115989,CHEMBL116031,CHEMBL116092,CHEMBL116153,CHEMBL116161,CHEMBL116314,CHEMBL116448,CHEMBL116876,CHEMBL1169435,CHEMBL117046,CHEMBL117157,CHEMBL117249,CHEMBL117397,CHEMBL117579,CHEMBL117633,CHEMBL118012,CHEMBL118360,CHEMBL1185,CHEMBL119264,CHEMBL119668,CHEMBL119785,CHEMBL119800,CHEMBL119927,CHEMBL120055,CHEMBL120272,CHEMBL1203216,CHEMBL120480,CHEMBL120514,CHEMBL121207,CHEMBL121499,CHEMBL121901,CHEMBL12264,CHEMBL122860,CHEMBL1241546,CHEMBL1241547,CHEMBL1241548,CHEMBL1241639,CHEMBL1241640,CHEMBL1241641,CHEMBL1241642,CHEMBL1241736,CHEMBL1241737,CHEMBL1241738,CHEMBL1241824,CHEMBL1241825,CHEMBL1241912,CHEMBL1241913,CHEMBL1241998,CHEMBL1242081,CHEMBL1242167,CHEMBL1242257,CHEMBL1242345,CHEMBL1242436,CHEMBL1242533,CHEMBL1242623,CHEMBL1242717,CHEMBL1242904,CHEMBL125745,CHEMBL1258223,CHEMBL1258452,CHEMBL1258671,CHEMBL12624,CHEMBL126340,CHEMBL127411,CHEMBL1275630,CHEMBL1277104,CHEMBL1277105,CHEMBL1277565,CHEMBL1277837,CHEMBL1277917,CHEMBL1278,CHEMBL1278001,CHEMBL1279,CHEMBL128,CHEMBL128699,CHEMBL1287827,CHEMBL1289047,CHEMBL1289048,CHEMBL1289163,CHEMBL1289164,CHEMBL1289276,CHEMBL1289277,CHEMBL1289394,CHEMBL1289509,CHEMBL1289510,CHEMBL1289617,CHEMBL1289618,CHEMBL1289721,CHEMBL1290486,CHEMBL1290487,CHEMBL1290596,CHEMBL1290597,CHEMBL1290715,CHEMBL1290716,CHEMBL129661,CHEMBL129813,CHEMBL133455,CHEMBL133868,CHEMBL134743,CHEMBL135878,CHEMBL136311,CHEMBL136936,CHEMBL136962,CHEMBL137781,CHEMBL138462,CHEMBL138821,CHEMBL138872,CHEMBL138873,CHEMBL138907,CHEMBL138958,CHEMBL138989,CHEMBL139438,CHEMBL139801,CHEMBL140415,CHEMBL140416,CHEMBL140417,CHEMBL141706,CHEMBL142629,CHEMBL143510,CHEMBL143512,CHEMBL143723,CHEMBL143745,CHEMBL143767,CHEMBL143890,CHEMBL143893,CHEMBL143894,CHEMBL143947,CHEMBL143951,CHEMBL143952,CHEMBL143967,CHEMBL144002,CHEMBL144030,CHEMBL144128,CHEMBL144397,CHEMBL145815,CHEMBL145849,CHEMBL145982,CHEMBL145997,CHEMBL146023,CHEMBL146024,CHEMBL146129,CHEMBL146131,CHEMBL146132,CHEMBL146150,CHEMBL146265,CHEMBL146285,CHEMBL146335,CHEMBL146338,CHEMBL146391,CHEMBL146396,CHEMBL146483,CHEMBL146502,CHEMBL146628,CHEMBL146720,CHEMBL146729,CHEMBL146735,CHEMBL146815,CHEMBL146891,CHEMBL146976,CHEMBL146983,CHEMBL146991,CHEMBL147071,CHEMBL147077,CHEMBL147148,CHEMBL147206,CHEMBL147454,CHEMBL147503,CHEMBL147546,CHEMBL147555,CHEMBL147660,CHEMBL147677,CHEMBL147786,CHEMBL147818,CHEMBL147838,CHEMBL147851,CHEMBL147853,CHEMBL147901,CHEMBL147907,CHEMBL147940,CHEMBL147961,CHEMBL147979,CHEMBL148022,CHEMBL148071,CHEMBL148085,CHEMBL148087,CHEMBL148095,CHEMBL148110,CHEMBL148194,CHEMBL148233,CHEMBL148286,CHEMBL148314,CHEMBL148325,CHEMBL148552,CHEMBL149263,CHEMBL149488,CHEMBL150696,CHEMBL150743,CHEMBL150798,CHEMBL1510,CHEMBL151045,CHEMBL151420,CHEMBL151502,CHEMBL151668,CHEMBL151695,CHEMBL151825,CHEMBL151878,CHEMBL151894,CHEMBL154274,CHEMBL1548,CHEMBL157910,CHEMBL158627,CHEMBL158941,CHEMBL159278,CHEMBL15928,CHEMBL15933,CHEMBL159381,CHEMBL159396,CHEMBL159483,CHEMBL159493,CHEMBL159627,CHEMBL159650,CHEMBL159683,CHEMBL159733,CHEMBL159759,CHEMBL159819,CHEMBL160070,CHEMBL160581,CHEMBL161045,CHEMBL161066,CHEMBL161176,CHEMBL161192,CHEMBL161410,CHEMBL161696,CHEMBL161723,CHEMBL161735,CHEMBL161780,CHEMBL161894,CHEMBL161969,CHEMBL161970,CHEMBL162011,CHEMBL162012,CHEMBL162049,CHEMBL162296,CHEMBL162463,CHEMBL162722,CHEMBL162724,CHEMBL162771,CHEMBL162805,CHEMBL162858,CHEMBL1628626,CHEMBL1628631,CHEMBL1628680,CHEMBL162899,CHEMBL162930,CHEMBL163114,CHEMBL163127,CHEMBL163151,CHEMBL1631532,CHEMBL1631533,CHEMBL1631534,CHEMBL1631535,CHEMBL1631536,CHEMBL1631537,CHEMBL1631538,CHEMBL1631539,CHEMBL1631540,CHEMBL1631541,CHEMBL1631542,CHEMBL1631543,CHEMBL1631544,CHEMBL1631545,CHEMBL1631548,CHEMBL1632158,CHEMBL1632174,CHEMBL1632206,CHEMBL1632207,CHEMBL1632208,CHEMBL1632209,CHEMBL1632210,CHEMBL1632211,CHEMBL1632212,CHEMBL1632213,CHEMBL1632214,CHEMBL1632215,CHEMBL1632216,CHEMBL1632217,CHEMBL1632218,CHEMBL1632219,CHEMBL1632220,CHEMBL1632221,CHEMBL1632222,CHEMBL1632223,CHEMBL163376,CHEMBL163386,CHEMBL163462,CHEMBL163516,CHEMBL163573,CHEMBL163639,CHEMBL164035,CHEMBL164046,CHEMBL164111,CHEMBL1642851,CHEMBL1642865,CHEMBL1642866,CHEMBL1642882,CHEMBL1642886,CHEMBL1642889,CHEMBL164413,CHEMBL1672288,CHEMBL170192,CHEMBL171129,CHEMBL173162,CHEMBL173656,CHEMBL174141,CHEMBL174355,CHEMBL1744039,CHEMBL1744040,CHEMBL1744041,CHEMBL1765683,CHEMBL1765684,CHEMBL17828,CHEMBL1788196,CHEMBL1788197,CHEMBL1788198,CHEMBL1788231,CHEMBL182837,CHEMBL1829958,CHEMBL1829959,CHEMBL1829961,CHEMBL1834226,CHEMBL1834234,CHEMBL1834350,CHEMBL183460,CHEMBL183704,CHEMBL184597,CHEMBL184994,CHEMBL186919,CHEMBL186961,CHEMBL18785,CHEMBL187928,CHEMBL187952,CHEMBL18840,CHEMBL188486,CHEMBL190190,CHEMBL190298,CHEMBL1910139,CHEMBL1910140,CHEMBL1910141,CHEMBL1910792,CHEMBL191460,CHEMBL191605,CHEMBL191619,CHEMBL191895,CHEMBL191921,CHEMBL191971,CHEMBL191980,CHEMBL192176,CHEMBL192536,CHEMBL193268,CHEMBL193616,CHEMBL194206,CHEMBL194305,CHEMBL194610,CHEMBL194647,CHEMBL194701,CHEMBL194809,CHEMBL195114,CHEMBL195432,CHEMBL195497,CHEMBL195651,CHEMBL195897,CHEMBL195898,CHEMBL195927,CHEMBL196140,CHEMBL196169,CHEMBL196370,CHEMBL196598,CHEMBL196600,CHEMBL196666,CHEMBL196848,CHEMBL196951,CHEMBL197169,CHEMBL197408,CHEMBL197505,CHEMBL197796,CHEMBL197947,CHEMBL197982,CHEMBL198488,CHEMBL198975,CHEMBL199088,CHEMBL199144,CHEMBL199175,CHEMBL2,CHEMBL2021524,CHEMBL2021525,CHEMBL2021538,CHEMBL2021539,CHEMBL203013,CHEMBL2031737,CHEMBL2059590,CHEMBL20771,CHEMBL20791,CHEMBL2087337,CHEMBL20963,CHEMBL209821,CHEMBL2111779,CHEMBL2112307,CHEMBL2112317,CHEMBL2112327,CHEMBL2112660,CHEMBL2112661,CHEMBL2112662,CHEMBL2112862,CHEMBL2113061,CHEMBL2113097,CHEMBL2113098,CHEMBL2113347,CHEMBL2113348,CHEMBL2113350,CHEMBL2113352,CHEMBL2113386,CHEMBL2114036,CHEMBL2114038,CHEMBL2114039,CHEMBL2114040,CHEMBL2115111,CHEMBL2115112,CHEMBL21369,CHEMBL213987,CHEMBL21724,CHEMBL21790,CHEMBL2181166,CHEMBL2181168,CHEMBL2181169,CHEMBL2181170,CHEMBL2181171,CHEMBL2181187,CHEMBL2181188,CHEMBL2181189,CHEMBL21862,CHEMBL22553,CHEMBL22744,CHEMBL229429,CHEMBL22960,CHEMBL22961,CHEMBL23038,CHEMBL233210,CHEMBL233211,CHEMBL233212,CHEMBL234447,CHEMBL234448,CHEMBL234449,CHEMBL23575,CHEMBL238519,CHEMBL238520,CHEMBL238730,CHEMBL238732,CHEMBL239166,CHEMBL239167,CHEMBL239168,CHEMBL241463,CHEMBL241499,CHEMBL241500,CHEMBL241503,CHEMBL24474,CHEMBL244946,CHEMBL246597,CHEMBL246598,CHEMBL246599,CHEMBL247428,CHEMBL247609,CHEMBL248229,CHEMBL248230,CHEMBL248231,CHEMBL248407,CHEMBL248456,CHEMBL248457,CHEMBL248458,CHEMBL251541,CHEMBL255898,CHEMBL256047,CHEMBL256694,CHEMBL257744,CHEMBL25800,CHEMBL258073,CHEMBL258075,CHEMBL261917,CHEMBL263700,CHEMBL263881,CHEMBL26427,CHEMBL26533,CHEMBL266591,CHEMBL267014,CHEMBL267615,CHEMBL268800,CHEMBL269538,CHEMBL269964,CHEMBL26998,CHEMBL270176,CHEMBL270177,CHEMBL271253,CHEMBL271298,CHEMBL27173,CHEMBL272781,CHEMBL273170,CHEMBL273921,CHEMBL274001,CHEMBL27403,CHEMBL274256,CHEMBL274866,CHEMBL275854,CHEMBL276868,CHEMBL277120,CHEMBL277452,CHEMBL277467,CHEMBL278610,CHEMBL279436,CHEMBL281350,CHEMBL281575,CHEMBL28178,CHEMBL282199,CHEMBL282229,CHEMBL282424,CHEMBL282693,CHEMBL282829,CHEMBL282950,CHEMBL282971,CHEMBL283036,CHEMBL28313,CHEMBL28437,CHEMBL285402,CHEMBL28607,CHEMBL28651,CHEMBL287671,CHEMBL28833,CHEMBL28997,CHEMBL292262,CHEMBL292274,CHEMBL292759,CHEMBL292779,CHEMBL293614,CHEMBL293678,CHEMBL29410,CHEMBL29433,CHEMBL294547,CHEMBL294649,CHEMBL294732,CHEMBL295234,CHEMBL296161,CHEMBL297471,CHEMBL297660,CHEMBL29808,CHEMBL29846,CHEMBL298612,CHEMBL29951,CHEMBL300519,CHEMBL300686,CHEMBL301757,CHEMBL302171,CHEMBL302172,CHEMBL302263,CHEMBL302373,CHEMBL303021,CHEMBL303269,CHEMBL303339,CHEMBL303441,CHEMBL303514,CHEMBL303921,CHEMBL303997,CHEMBL304008,CHEMBL304197,CHEMBL304426,CHEMBL304573,CHEMBL304767,CHEMBL304833,CHEMBL304857,CHEMBL304993,CHEMBL305062,CHEMBL305301,CHEMBL305743,CHEMBL305837,CHEMBL305976,CHEMBL306197,CHEMBL306699,CHEMBL306869,CHEMBL306940,CHEMBL307408,CHEMBL307521,CHEMBL307786,CHEMBL308042,CHEMBL30831,CHEMBL308347,CHEMBL308727,CHEMBL309021,CHEMBL309121,CHEMBL309162,CHEMBL309872,CHEMBL309976,CHEMBL310061,CHEMBL310082,CHEMBL310744,CHEMBL311323,CHEMBL311694,CHEMBL311787,CHEMBL31217,CHEMBL312448,CHEMBL312525,CHEMBL312845,CHEMBL313189,CHEMBL313452,CHEMBL313490,CHEMBL313631,CHEMBL313714,CHEMBL314107,CHEMBL314738,CHEMBL315757,CHEMBL315772,CHEMBL316069,CHEMBL316081,CHEMBL317535,CHEMBL318018,CHEMBL318105,CHEMBL319920,CHEMBL320079,CHEMBL320198,CHEMBL321080,CHEMBL321343,CHEMBL321818,CHEMBL321967,CHEMBL322054,CHEMBL322349,CHEMBL323264,CHEMBL323356,CHEMBL323603,CHEMBL323666,CHEMBL323705,CHEMBL323986,CHEMBL324287,CHEMBL324289,CHEMBL324751,CHEMBL324931,CHEMBL325131,CHEMBL325175,CHEMBL325359,CHEMBL326125,CHEMBL326371,CHEMBL326667,CHEMBL326723,CHEMBL327103,CHEMBL329207,CHEMBL329383,CHEMBL330803,CHEMBL331037,CHEMBL331143,CHEMBL331240,CHEMBL331241,CHEMBL331612,CHEMBL331819,CHEMBL331970,CHEMBL332063,CHEMBL332142,CHEMBL332484,CHEMBL333089,CHEMBL333341,CHEMBL333784,CHEMBL334159,CHEMBL334193,CHEMBL334259,CHEMBL334323,CHEMBL334923,CHEMBL336092,CHEMBL338015,CHEMBL338115,CHEMBL339308,CHEMBL339980,CHEMBL340786,CHEMBL341854,CHEMBL341897,CHEMBL342323,CHEMBL342330,CHEMBL342805,CHEMBL343025,CHEMBL343105,CHEMBL343196,CHEMBL343217,CHEMBL343492,CHEMBL343648,CHEMBL343667,CHEMBL343712,CHEMBL343755,CHEMBL344127,CHEMBL344537,CHEMBL345657,CHEMBL346649,CHEMBL347499,CHEMBL347501,CHEMBL347522,CHEMBL347559,CHEMBL347570,CHEMBL347665,CHEMBL348304,CHEMBL348756,CHEMBL348815,CHEMBL348864,CHEMBL348962,CHEMBL349041,CHEMBL349174,CHEMBL349185,CHEMBL349390,CHEMBL349528,CHEMBL349675,CHEMBL349893,CHEMBL349903,CHEMBL350153,CHEMBL351036,CHEMBL351303,CHEMBL351311,CHEMBL351346,CHEMBL352123,CHEMBL352159,CHEMBL352181,CHEMBL352234,CHEMBL353256,CHEMBL355202,CHEMBL355517,CHEMBL355910,CHEMBL356277,CHEMBL356315,CHEMBL356359,CHEMBL356623,CHEMBL356808,CHEMBL356829,CHEMBL356923,CHEMBL357007,CHEMBL357034,CHEMBL357061,CHEMBL357130,CHEMBL357408,CHEMBL357478,CHEMBL357634,CHEMBL357681,CHEMBL357830,CHEMBL358072,CHEMBL358253,CHEMBL358406,CHEMBL359375,CHEMBL359447,CHEMBL360803,CHEMBL361061,CHEMBL361303,CHEMBL361470,CHEMBL361729,CHEMBL362992,CHEMBL363413,CHEMBL364056,CHEMBL364495,CHEMBL365810,CHEMBL366322,CHEMBL369798,CHEMBL370128,CHEMBL370214,CHEMBL370625,CHEMBL370852,CHEMBL370896,CHEMBL371300,CHEMBL371655,CHEMBL372453,CHEMBL372651,CHEMBL372731,CHEMBL372743,CHEMBL374973,CHEMBL380812,CHEMBL381035,CHEMBL382078,CHEMBL38465,CHEMBL39,CHEMBL391033,CHEMBL391271,CHEMBL391272,CHEMBL391273,CHEMBL391661,CHEMBL392780,CHEMBL39317,CHEMBL393539,CHEMBL399203,CHEMBL399719,CHEMBL401541,CHEMBL401745,CHEMBL402143,CHEMBL402179,CHEMBL404248,CHEMBL404372,CHEMBL404511,CHEMBL408152,CHEMBL412876,CHEMBL413105,CHEMBL414420,CHEMBL414628,CHEMBL416688,CHEMBL417650,CHEMBL41844,CHEMBL418823,CHEMBL420191,CHEMBL420475,CHEMBL420748,CHEMBL420874,CHEMBL420965,CHEMBL421064,CHEMBL422191,CHEMBL422192,CHEMBL422243,CHEMBL422366,CHEMBL422504,CHEMBL422737,CHEMBL423022,CHEMBL423029,CHEMBL423127,CHEMBL423212,CHEMBL423599,CHEMBL423610,CHEMBL423749,CHEMBL423789,CHEMBL424128,CHEMBL424154,CHEMBL424837,CHEMBL425190,CHEMBL425919,CHEMBL426285,CHEMBL428991,CHEMBL429136,CHEMBL430500,CHEMBL431041,CHEMBL431211,CHEMBL431298,CHEMBL431866,CHEMBL432332,CHEMBL433108,CHEMBL434125,CHEMBL434315,CHEMBL434355,CHEMBL435060,CHEMBL435936,CHEMBL435949,CHEMBL439240,CHEMBL440008,CHEMBL44054,CHEMBL441095,CHEMBL441256,CHEMBL441259,CHEMBL441296,CHEMBL442,CHEMBL442087,CHEMBL442974,CHEMBL443060,CHEMBL443762,CHEMBL444341,CHEMBL444398,CHEMBL444404,CHEMBL444843,CHEMBL446459,CHEMBL446745,CHEMBL448555,CHEMBL448902,CHEMBL449406,CHEMBL450281,CHEMBL450852,CHEMBL451394,CHEMBL452387,CHEMBL453939,CHEMBL454766,CHEMBL456458,CHEMBL456459,CHEMBL456460,CHEMBL456684,CHEMBL457765,CHEMBL457982,CHEMBL458001,CHEMBL458002,CHEMBL458199,CHEMBL458200,CHEMBL458220,CHEMBL459061,CHEMBL459067,CHEMBL459068,CHEMBL459282,CHEMBL45929,CHEMBL461670,CHEMBL462915,CHEMBL462916,CHEMBL467094,CHEMBL469345,CHEMBL469374,CHEMBL469375,CHEMBL469376,CHEMBL469567,CHEMBL469568,CHEMBL469589,CHEMBL469668,CHEMBL469995,CHEMBL470217,CHEMBL470849,CHEMBL471047,CHEMBL472117,CHEMBL472289,CHEMBL472290,CHEMBL476838,CHEMBL476839,CHEMBL482496,CHEMBL482562,CHEMBL483365,CHEMBL483497,CHEMBL483498,CHEMBL484059,CHEMBL484205,CHEMBL484216,CHEMBL484260,CHEMBL484345,CHEMBL484386,CHEMBL484387,CHEMBL484742,CHEMBL484743,CHEMBL485395,CHEMBL485427,CHEMBL485491,CHEMBL485630,CHEMBL487313,CHEMBL488125,CHEMBL488951,CHEMBL489195,CHEMBL489393,CHEMBL489394,CHEMBL489408,CHEMBL489453,CHEMBL490211,CHEMBL490417,CHEMBL49048,CHEMBL490633,CHEMBL490634,CHEMBL491839,CHEMBL494631,CHEMBL494678,CHEMBL494806,CHEMBL494991,CHEMBL494992,CHEMBL495046,CHEMBL495075,CHEMBL495160,CHEMBL495161,CHEMBL495213,CHEMBL495217,CHEMBL495703,CHEMBL495705,CHEMBL495895,CHEMBL496098,CHEMBL496317,CHEMBL496520,CHEMBL497127,CHEMBL497963,CHEMBL497979,CHEMBL497980,CHEMBL49826,CHEMBL498354,CHEMBL498355,CHEMBL498356,CHEMBL500230,CHEMBL500284,CHEMBL500488,CHEMBL500737,CHEMBL500749,CHEMBL501645,CHEMBL502138,CHEMBL503468,CHEMBL50492,CHEMBL50498,CHEMBL505750,CHEMBL505954,CHEMBL506942,CHEMBL509314,CHEMBL51,CHEMBL510280,CHEMBL511279,CHEMBL511609,CHEMBL511815,CHEMBL512724,CHEMBL513715,CHEMBL513875,CHEMBL513955,CHEMBL514429,CHEMBL515472,CHEMBL516088,CHEMBL516997,CHEMBL517170,CHEMBL518545,CHEMBL519010,CHEMBL519019,CHEMBL519037,CHEMBL519492,CHEMBL520129,CHEMBL521235,CHEMBL521506,CHEMBL521873,CHEMBL522257,CHEMBL522708,CHEMBL523064,CHEMBL523095,CHEMBL525362,CHEMBL525712,CHEMBL534232,CHEMBL537403,CHEMBL541993,CHEMBL542124,CHEMBL542139,CHEMBL542806,CHEMBL544269,CHEMBL545461,CHEMBL552599,CHEMBL553591,CHEMBL554220,CHEMBL555146,CHEMBL56,CHEMBL56898,CHEMBL595449,CHEMBL604102,CHEMBL606547,CHEMBL606556,CHEMBL609742,CHEMBL6310,CHEMBL63167,CHEMBL63258,CHEMBL63432,CHEMBL63799,CHEMBL64003,CHEMBL64004,CHEMBL6437,CHEMBL65196,CHEMBL65215,CHEMBL65321,CHEMBL65367,CHEMBL65765,CHEMBL65824,CHEMBL6621,CHEMBL6640,CHEMBL67367,CHEMBL67460,CHEMBL67684,CHEMBL68019,CHEMBL68131,CHEMBL69385,CHEMBL69560,CHEMBL69562,CHEMBL69729,CHEMBL69943,CHEMBL70409,CHEMBL70431,CHEMBL70589,CHEMBL70606,CHEMBL70652,CHEMBL70680,CHEMBL70710,CHEMBL70882,CHEMBL70980,CHEMBL70985,CHEMBL71033,CHEMBL71091,CHEMBL71145,CHEMBL71176,CHEMBL71247,CHEMBL71299,CHEMBL71319,CHEMBL71395,CHEMBL71409,CHEMBL7143,CHEMBL71469,CHEMBL71474,CHEMBL71625,CHEMBL71635,CHEMBL71640,CHEMBL71663,CHEMBL71676,CHEMBL71724,CHEMBL71751,CHEMBL71798,CHEMBL71804,CHEMBL71838,CHEMBL71899,CHEMBL71907,CHEMBL72062,CHEMBL72107,CHEMBL72158,CHEMBL72167,CHEMBL72178,CHEMBL72285,CHEMBL7257,CHEMBL73112,CHEMBL7318,CHEMBL73190,CHEMBL73281,CHEMBL73429,CHEMBL73670,CHEMBL73943,CHEMBL74208,CHEMBL74594,CHEMBL75420,CHEMBL75642,CHEMBL762,CHEMBL76237,CHEMBL76480,CHEMBL76552,CHEMBL770,CHEMBL77734,CHEMBL79561,CHEMBL79674,CHEMBL79693,CHEMBL79725,CHEMBL79853,CHEMBL80189,CHEMBL81191,CHEMBL81485,CHEMBL8165,CHEMBL81703,CHEMBL82204,CHEMBL82488,CHEMBL82523,CHEMBL83112,CHEMBL83426,CHEMBL83617,CHEMBL83658,CHEMBL83732,CHEMBL84070,CHEMBL84165,CHEMBL84171,CHEMBL84305,CHEMBL84712,CHEMBL84931,CHEMBL85668,CHEMBL85735,CHEMBL86223,CHEMBL86595,CHEMBL88152,CHEMBL88207,CHEMBL88208,CHEMBL88212,CHEMBL88240,CHEMBL88283,CHEMBL88417,CHEMBL88661,CHEMBL88676,CHEMBL88761,CHEMBL88783,CHEMBL88784,CHEMBL88785,CHEMBL88893,CHEMBL89007,CHEMBL89427,CHEMBL89448,CHEMBL89878,CHEMBL90405,CHEMBL90443,CHEMBL905,CHEMBL90981,CHEMBL91123,CHEMBL91154,CHEMBL91190,CHEMBL91534,CHEMBL91596,CHEMBL92139,CHEMBL92207,CHEMBL92320,CHEMBL93868,CHEMBL94984,CHEMBL95104,CHEMBL95823,CHEMBL96467,CHEMBL97158,CHEMBL97211,CHEMBL97450,CHEMBL97596,CHEMBL97637,CHEMBL98965} @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 Br.095 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.011 numeric @attribute C.012 numeric @attribute C.013 numeric @attribute C.014 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.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.036 numeric @attribute C.037 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_DA numeric @attribute CATS2D_01_DD numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DD numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DP numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL 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_AP numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL 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_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_NL 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_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_NL 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_DP numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_NL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_08_PP 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_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.089 numeric @attribute Cl.090 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.081 numeric @attribute F.082 numeric @attribute F.083 numeric @attribute F.084 numeric @attribute F.085 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 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 nArCHO numeric @attribute nArCN numeric @attribute nArC.N numeric @attribute nArCNO numeric @attribute nArCO numeric @attribute nArCONH2 numeric @attribute nArCONHR numeric @attribute nArCONR2 numeric @attribute nArCOOR numeric @attribute nArNH2 numeric @attribute nArNHO 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 nAzetidines numeric @attribute nBM numeric @attribute nBnz numeric @attribute nBO numeric @attribute nBR numeric @attribute nBT numeric @attribute nC numeric @attribute nCar numeric @attribute nCb. numeric @attribute nCbH numeric @attribute nCconj numeric @attribute nCconjX numeric @attribute nCH2RX numeric @attribute nCHR2X numeric @attribute nCHRX2 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 nCR2X2 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 nCXr numeric @attribute nCXr. numeric @attribute nDB numeric @attribute NdCH2 numeric @attribute NddsN numeric @attribute NddssS numeric @attribute NdNH numeric @attribute NdO numeric @attribute NdS numeric @attribute NdsCH numeric @attribute NdsN numeric @attribute NdssC 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 nIsothiazoles numeric @attribute nIsoxazoles numeric @attribute nN numeric @attribute nN.C.N. numeric @attribute nN.CO.2 numeric @attribute nN.N numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHp numeric @attribute nOHs numeric @attribute nOHt numeric @attribute nOxazoles numeric @attribute nPyrazines numeric @attribute nPyrazoles 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 nRCN numeric @attribute nRC.N 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.Cs numeric @attribute nR.Ct numeric @attribute nRNH2 numeric @attribute nRNHO numeric @attribute nRNHR 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 nS..O.2 numeric @attribute nSO2N numeric @attribute nSO3 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 nThiazoles numeric @attribute nThiophenes 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 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.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 SddsN numeric @attribute SddssS numeric @attribute SdNH numeric @attribute SdO numeric @attribute SdS numeric @attribute SdsCH numeric @attribute SdsN numeric @attribute SdssC 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 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 1.436,2 13.968,3 3.674,4 13.496,5 120.065,6 6.74,7 0.343,8 4.244,9 4.358,10 3.739,11 3.735,12 5.2,13 3.711,14 4.857,15 5.035,16 4.119,17 4.171,18 5.769,19 4.127,20 5.138,21 5.35,22 4.159,23 4.381,24 5.994,25 4.28,26 5.282,27 5.532,28 4.039,29 4.426,30 6.045,31 4.269,32 5.311,33 5.6,34 3.953,35 4.37,36 6.008,37 4.184,38 5.189,39 5.47,40 3.908,41 4.225,42 5.909,43 4.067,44 5.068,45 5.333,46 3.761,47 4.063,48 5.838,49 3.934,50 4.882,51 5.132,52 3.62,53 3.986,54 5.657,55 3.832,56 0.037,57 0.881,58 15.057,59 6.303,60 9.562,61 8.432,62 0.397,63 1.495,64 29.567,65 10.22,66 27.721,67 14.265,68 0.377,69 1.915,70 39.106,71 14.293,72 39.09,73 20.122,74 0.398,75 2.083,76 45.561,77 16.907,78 46.162,79 24.209,80 0.602,81 2.059,82 47.597,83 17.119,84 50.379,85 25.296,86 0.465,87 1.819,88 42.314,89 14.465,90 40.285,91 21.432,92 0.597,93 1.559,94 38.44,95 11.668,96 45.749,97 16.962,98 0.522,99 1.348,100 31.154,101 10.891,102 36.743,103 15.555,104 6,105 50,106 0.232,107 0.507,108 0.713,109 0.8,110 0.841,111 0.841,112 3.471,113 0.973,114 -3.88,115 -3.84,116 -3.64,119 39.7,121 4,124 1,125 5,126 1,127 1,129 1,140 7,141 2,142 3,169 9,171 1,172 7,176 3,178 10,181 1,182 10,186 4,189 11,193 4,197 1,199 6,202 1,203 7,206 2,211 2,215 10,218 1,226 4,233 2,236 2,237 2,240 1,244 6,248 1,249 2,256 6,259 1631,260 21.358,261 21.358,262 21.358,263 21.358,264 21.358,265 19.949,266 33.059,267 12.371,268 21.937,269 17.209,270 17.209,271 17.209,272 17.209,273 17.209,274 14.986,275 49.321,276 5.781,277 18.073,278 4.541,279 2.839,280 1.562,281 1.028,282 0.774,283 0.774,284 4.183,288 1,289 1,290 968,291 3,294 85.479,295 416.587,298 146.461,302 2.36,303 25.168,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 67,315 433,316 4.567,317 3.806,318 7.475,319 4.422,320 3.454,321 4.029,322 1.392,323 13.209,324 3.339,325 4.148,326 3.277,327 6.172,328 3.831,329 2.887,330 3.674,331 0.916,332 9.159,333 2.72,334 4.084,335 3.153,336 6.133,337 3.769,338 2.829,339 3.449,340 0.86,341 9.022,342 2.669,343 3.833,344 2.985,345 5.674,346 3.672,347 2.708,348 2.857,349 0.8,350 7.967,351 2.595,352 3.497,353 2.742,354 5.307,355 3.309,356 2.38,357 2.667,358 0.765,359 6.853,360 2.208,361 3.19,362 2.261,363 5.005,364 2.913,365 1.955,366 2.3,367 0.532,368 5.519,369 1.864,370 3.044,371 2.035,372 4.832,373 2.737,374 1.767,375 2.16,376 0.172,377 5.295,378 1.706,379 2.884,380 1.984,381 4.378,382 2.477,383 1.534,384 2.019,386 4.215,387 1.438,388 2.678,389 1.715,390 4.322,391 2.395,392 1.444,393 1.754,395 4.038,396 1.367,397 2.469,398 1.519,399 3.802,400 2.193,401 1.205,402 1.468,404 2.631,405 1.188,406 2.175,407 1.325,408 3.497,409 2.052,410 1.055,411 1.15,413 2.39,414 1.051,415 2,416 1.146,417 3.469,418 2,419 1,420 1,422 2.372,423 1,424 2,425 1,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.634,434 0.936,435 3.187,436 1.358,437 0.432,438 0.496,440 1.041,441 0.392,442 1.584,443 0.767,444 2.974,445 1.296,446 0.422,447 0.482,449 0.632,450 0.369,451 14.633,452 0.472,453 0.718,454 0.023,455 34.25,456 1.105,457 13.5,458 0.435,459 20.75,460 0.669,461 31.874,462 1.028,463 35.167,464 0.558,465 23.845,466 0.769,467 6.515,468 0.21,469 8.612,470 0.278,471 0.057,472 0.034,473 0.26,479 0.912,480 1.438,481 0.867,482 1.24,483 0.926,484 1.074,485 1.215,486 1.054,487 1.004,488 0.943,489 0.871,490 0.925,491 0.997,492 1.096,493 1.103,494 1.11,495 1.101,496 1.112,497 0.815,498 1.129,499 1.079,500 1.152,501 1.105,502 1.156,503 0.504,504 0.959,505 0.871,506 0.975,507 0.643,508 0.981,509 0.7,510 1.043,511 0.879,512 1.005,513 0.663,514 0.972,515 1.479,516 0.857,517 1.119,518 0.825,519 1.51,520 0.897,521 0.998,522 0.976,523 1.117,524 1.003,525 1.187,526 1.076,527 7,528 0.147,529 4,530 1.819,531 1.386,532 1.114,533 0.749,534 0.299,535 0.247,536 0.193,537 15698,538 35784,539 2.172,540 50.8,542 21,543 2,545 1,547 8,550 1.729,551 2.078,552 3.754,553 -0.393,555 1,559 90.472,560 1.436,561 3.138,562 4.415,563 4.949,564 5.203,565 5.203,566 3.244,567 4.478,568 4.924,569 3.943,570 1833.52,571 8.559,572 27277.9,574 1,577 376.569,578 1.327,579 4.9,580 0.2,581 0.006,582 0.08,583 0.036,584 0.033,585 0.029,586 0.021,587 0.01,588 0.009,589 0.007,590 0.432,591 0.5,592 0.88,593 0.575,594 164.453,595 -0.019,596 -0.2,597 0.083,598 -0.08,599 -0.053,600 0.001,601 -0.06,602 0.103,603 0.002,604 0.086,605 0.036,606 0.064,607 -0.099,608 -0.005,609 -0.136,610 -0.084,611 -0.019,612 -0.108,613 -0.059,614 -0.132,615 -0.13,616 -0.141,617 -0.081,618 -0.146,619 0.143,620 -0.02,621 0.072,622 -0.003,623 0.091,624 0.017,625 0.086,626 -0.094,627 0.085,628 -0.049,629 0.103,630 0.009,631 -0.209,632 0.096,633 -0.086,634 0.085,635 -0.194,636 0.031,637 -0.005,639 -0.134,640 -0.024,641 -0.129,642 -0.096,643 2.008,644 5.306,645 0.871,646 37.357,647 0.996,648 1.128,649 2.65,650 7.022,651 0.639,652 3.584,653 3.932,654 4.22,655 4.454,656 4.691,657 4.796,658 4.942,659 5.024,660 5.124,661 5.283,662 8.14,663 0.6,664 424.59,665 3.584,666 5.142,667 6.004,668 6.889,669 7.763,670 8.651,671 9.531,672 10.421,673 11.304,674 12.196,675 3.2,678 2,688 7,693 5,695 12,712 3,714 63,716 12,717 2,718 35,720 67,721 25,722 12,723 5,724 7,730 5,731 6,740 5,741 1,743 5,745 12,746 13,747 1,761 1,764 32,765 6,766 1,767 6,773 2,777 0.8,778 4,781 1,792 1,793 4,796 1,815 2,817 1,819 4,823 1,827 31,832 1,833 10,835 3,837 1,838 2,839 1,847 6.3,848 1,852 3,854 14.917,855 11.267,856 6.722,857 3.908,858 2.053,859 1.249,860 0.946,861 6.108,862 10.288,863 3.738,864 4.263,865 4.758,866 5.223,867 5.684,868 5.8,869 6.014,870 6.118,871 6.174,872 6.412,873 1,874 50,875 11.562,877 5.002,878 7.513,879 22.881,881 19.706,883 2.013,884 62.417,887 1,888 364.904,889 126.635,890 6.249,892 75.683,895 126.635,896 440.587,897 6.249,898 10.883,899 27.317,900 109.017,902 61.35,903 23.542,904 341.362,906 364.904,907 132.884,908 75.683,911 270.735,912 127.168,913 42.683,915 33.566,916 99.318,919 364.904,920 81.932,921 126.635,924 364.904,925 49.418,926 83.465,928 75.683,929 364.904,930 81.932,931 126.635,933 0.587,934 0.348,935 0.18,936 0.096,937 26,938 10,939 0.075,940 5,941 1,942 1.074,943 4.406,944 281.642,945 0.074,946 27,947 145.58,951 21.074,952 8.985,953 4.556,955 81.932,956 14.231,961 4.707,963 42.683,964 573.471,965 41,975 62.767,976 71.062,977 0.24,978 0.525,979 0.739,980 0.828,981 0.871,982 0.871,983 5.017,984 1.534,985 6.009,986 5.295,987 4.615,988 4.949,989 2.356,990 6.853,991 4.524,992 6.189,993 1.444,994 7.593,995 4.215,996 4.29,997 4.705,998 0.57,999 8.042,1000 4.126,1001 7.495,1002 1.205,1003 9.29,1004 4.038,1005 6.286,1006 7.005,1007 2.473,1008 11.074,1009 6.108,1010 8.833,1011 1.055,1012 11.059,1013 2.631,1014 6.815,1015 7.564,1016 0.581,1017 13.153,1018 6.568,1019 10.208,1020 1,1021 12.88,1022 2.39,1023 8.284,1024 9.373,1025 2.876,1026 15.803,1027 8.025,1028 11.605,1029 1,1030 14.739,1031 2.372,1032 9.187,1033 10.298,1034 0.515,1035 18.207,1036 8.875,1037 13.02,1038 0.432,1039 16.627,1040 2.275,1041 10.47,1042 11.899,1043 3.424,1044 20.782,1045 10.139,1046 3.454,1047 0.422,1048 18.539,1049 1.041,1050 11.542,1051 13.013,1052 0.441,1053 23.299,1054 11.169,1055 2.887,1056 13.209,1057 20.47,1058 0.632,1059 12.765,1060 14.511,1061 4.035,1062 25.868,1063 12.368,1064 2.829,1065 9.159,1066 22.415,1067 4.029,1068 13.914,1069 15.731,1070 0.373,1071 28.424,1072 13.483,1073 2.708,1074 9.022,1075 24.373,1076 3.674,1077 15.124,1078 17.174,1079 4.675,1080 30.997,1081 14.667,1082 2.38,1083 7.967,1084 26.341,1085 3.449,1086 16.311,1087 18.456,1088 0.314,1089 33.568,1090 15.822,1091 1.955,1092 6.853,1093 28.317,1094 2.857,1095 17.522,1096 19.868,1097 5.327,1098 36.144,1099 17.007,1100 1.767,1101 5.519,1102 30.3,1103 2.667,1104 18.729,1105 21.188,1106 0.264,1107 38.721,1108 18.183,1109 14359,1110 21818,1111 24.038,1112 40.25,1113 52.639,1114 53.167,1115 53.661,1116 52.508,1117 52.487,1118 61.377,1119 10.873,1120 154.101,1121 50.07,1122 5.567,1123 5.806,1124 7.068,1125 5.49,1126 5.454,1127 7.029,1128 2.783,1129 20.61,1130 5.339,1131 10.671,1132 1.504,1133 1.519,1134 1.533,1135 1.5,1136 1.5,1137 1.754,1138 0.311,1139 4.403,1140 1.431,1141 4.039,1142 4.073,1143 3.973,1144 3.938,1145 6.447,1146 3.941,1147 3.939,1148 3.968,1149 3.876,1150 3.855,1151 5,1152 3.855,1153 3.842,1154 3.881,1155 3.752,1156 3.701,1157 4.865,1158 3.706,1159 3.686,1160 3.738,1161 3.572,1162 3.515,1163 4.43,1164 3.519,1165 3.342,1166 3.384,1167 3.237,1168 3.115,1169 4.355,1170 3.138,1171 3.264,1172 3.318,1173 3.103,1174 3.015,1175 4.295,1176 3.027,1177 3.146,1178 3.22,1179 2.982,1180 2.941,1181 4.068,1182 2.921,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.965,1188 2.91,1189 0.13,1190 0.109,1191 0.214,1192 0.126,1193 0.099,1194 4.567,1195 0.115,1196 3.806,1197 0.04,1198 7.475,1199 0.377,1200 4.422,1201 0.095,1202 3.454,1203 4.029,1204 1.392,1205 13.209,1206 3.339,1207 1.965,1208 1.936,1209 2.115,1210 2.102,1211 1.498,1212 2.108,1213 1.914,1214 1.887,1215 2.036,1216 2.025,1217 1.297,1218 2.031,1219 1.791,1220 1.746,1221 1.937,1222 1.935,1223 1.118,1224 1.938,1225 1.644,1226 1.586,1227 1.844,1228 1.811,1229 1.042,1230 1.824,1231 1.24,1232 1.18,1233 1.578,1234 1.532,1235 0.825,1236 1.545,1237 1.171,1238 1.13,1239 1.513,1240 1.518,1241 0.825,1242 1.486,1243 1.153,1244 1.082,1245 1.513,1246 1.41,1247 0.7,1248 1.429,1249 1.153,1250 1.064,1251 1.445,1252 1.376,1253 0.604,1254 1.429,1255 4.263,1257 5.602,1258 2.398,1259 7.143,1260 4.595,1261 8.768,1262 6.581,1263 10.434,1265 1.718,1270 11.306,1271 9.238,1273 16.261,1275 0.563,1276 5.151,1277 -0.758,1280 37.804,1281 90.472,1282 197.717,1283 278.162,1284 311.814,1285 327.814,1286 327.814,1287 49.132,1288 8.235,1289 54.4,1290 54.4,1291 29,1292 12.725,1293 3.7,1294 2.807,1295 44.062,1296 153,1297 148,1298 0.139,1299 225.621,1300 398.78,1301 542.276,1302 49738,1304 21.261,1305 0.686,1306 0.589,1307 21.261,1308 18.256,1309 15.126,1310 0.432,1311 0.324,1312 11.162,1313 14.457,1314 10.913,1315 8.935,1316 15.126,1317 11.347,1318 13.776,1319 0.276,1320 0.18,1321 13.776,1322 8.994,1323 12.141,1324 0.181,1325 0.107,1326 12.141,1327 7.156,1328 9.869,1329 0.116,1330 0.062,1331 9.869,1332 5.236,1333 7.995,1334 0.074,1335 0.036,1336 7.995,1337 3.895,1338 0.226,1339 95.377,1340 0.204,1341 29.784,1342 0.36,1343 170,1344 442.647,1345 187.449,1346 413.196,1347 569.93,1348 392,1349 202,1350 417.062,1351 220.286,1352 420.973,1353 620.24,1354 394,1355 6.155} {0 CHEMBL100875,1 1.408,2 13.172,3 3.69,4 13.617,5 113.602,6 6.687,7 0.364,8 4.177,9 4.294,10 3.669,11 3.695,12 5.111,13 3.662,14 4.791,15 4.969,16 4.054,17 4.138,18 5.688,19 4.083,20 5.1,21 5.323,22 4.078,23 4.339,24 5.927,25 4.224,26 5.226,27 5.485,28 3.941,29 4.362,30 5.964,31 4.195,32 5.231,33 5.526,34 3.865,35 4.295,36 5.912,37 4.105,38 5.114,39 5.398,40 3.815,41 4.155,42 5.828,43 3.992,44 4.965,45 5.232,46 3.63,47 3.987,48 5.725,49 3.84,50 4.776,51 5.045,52 3.485,53 3.869,54 5.516,55 3.706,56 0.049,57 0.832,58 14.102,59 5.928,60 8.49,61 8.012,62 0.344,63 1.438,64 27.482,65 9.774,66 23.572,67 13.755,68 0.352,69 1.858,70 37.64,71 13.876,72 36.341,73 19.684,74 0.377,75 1.982,76 43.074,77 16.097,78 42.356,79 23.079,80 0.488,81 1.937,82 43.652,83 16.051,84 43.878,85 23.681,86 0.449,87 1.706,88 39.129,89 13.651,90 38.073,91 20.045,92 0.465,93 1.447,94 34.254,95 11.072,96 39.637,97 15.957,98 0.406,99 1.224,100 27.885,101 9.871,102 31.415,103 14.241,104 2,105 47,106 0.231,107 0.507,108 0.681,109 0.776,110 0.819,111 0.819,112 3.408,113 0.984,114 -4.18,115 -4.12,116 -3.89,119 40.7,121 4,125 5,126 1,127 1,129 1,140 8,141 2,142 2,169 11,171 1,172 5,176 3,178 12,181 1,182 8,186 4,189 12,193 4,197 1,199 6,203 7,206 2,211 2,215 10,218 1,226 5,233 2,236 1,237 2,240 1,244 6,248 1,249 2,256 8,259 1344,260 20.04,261 20.04,262 20.04,263 20.04,264 20.04,265 18.604,266 28.746,267 11.749,268 20.44,269 16.298,270 16.298,271 16.298,272 16.298,273 16.298,274 14.152,275 43.362,276 5.585,277 16.974,278 4.475,279 2.784,280 1.721,281 1.144,282 0.881,283 0.881,284 4.122,288 1,289 1,290 863,291 2.739,294 77.85,295 383.38,298 133.244,302 2.247,303 22.218,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 62,315 382,316 4.567,317 3.806,318 7.475,319 4.422,320 3.454,321 4.029,322 1.392,323 13.209,324 3.339,325 4.148,326 3.277,327 6.172,328 3.829,329 2.886,330 3.457,331 0.916,332 9.158,333 2.717,334 3.948,335 3.146,336 6.133,337 3.76,338 2.823,339 3.449,340 0.8,341 9.022,342 2.642,343 3.812,344 2.911,345 5.571,346 3.582,347 2.613,348 2.845,349 0.765,350 7.662,351 2.536,352 3.348,353 2.408,354 5.059,355 3.17,356 2.214,357 2.416,358 0.532,359 6.124,360 2.106,361 3.061,362 2.037,363 4.989,364 2.755,365 1.782,366 2.196,367 0.172,368 5.323,369 1.728,370 2.885,371 1.984,372 4.38,373 2.49,374 1.534,375 2.021,377 4.223,378 1.477,379 2.854,380 1.732,381 4.327,382 2.473,383 1.508,384 1.976,386 4.06,387 1.435,388 2.5,389 1.544,390 3.802,391 2.329,392 1.36,393 1.5,395 3.022,396 1.312,397 2.469,398 1.476,399 3.588,400 2.052,401 1.055,402 1.468,404 2.39,405 1.051,406 2.175,407 1.146,408 3.469,409 2,410 1,411 1.15,413 2.372,414 1,415 2,416 1,417 3.414,418 2,419 1,420 1,422 2.275,423 1,424 2,425 1,426 3.247,427 1.967,428 1,429 1,431 2.136,432 0.965,433 1.634,434 0.767,435 3.186,436 1.358,437 0.423,438 0.496,440 1.041,441 0.392,442 1.275,443 0.402,444 2.947,445 1.132,446 0.171,447 0.183,449 0.426,450 0.164,451 13.8,452 0.476,453 0.65,454 0.022,455 32.25,456 1.112,457 13,458 0.448,459 19.25,460 0.664,461 29.075,462 1.003,463 32.4,464 0.549,465 21.292,466 0.734,467 6.03,468 0.208,469 8.164,470 0.282,471 0.024,472 0.036,473 0.239,479 0.915,480 1.387,481 0.877,482 1.185,483 0.936,484 1.049,485 1.158,486 1.101,487 1.027,488 0.995,489 0.836,490 0.978,491 1.005,492 1.079,493 1.106,494 1.097,495 1.108,496 1.104,497 0.877,498 1.092,499 1.082,500 1.114,501 1.147,502 1.125,503 0.491,504 0.951,505 0.856,506 0.963,507 0.627,508 0.958,509 0.783,510 0.985,511 0.889,512 0.959,513 0.696,514 0.938,515 1.487,516 0.922,517 1.131,518 0.895,519 1.556,520 0.954,521 0.968,522 0.9,523 1.019,524 0.915,525 1.165,526 0.97,527 6,528 0.114,529 3.778,530 1.507,531 1.235,532 0.941,533 0.667,534 0.283,535 0.215,536 0.138,537 13204,538 28298,539 2.206,540 50.8,542 19,543 2,545 1,547 8,550 1.712,551 2.135,552 3.67,553 -0.405,555 1,559 83.075,560 1.408,561 3.099,562 4.162,563 4.738,564 5.001,565 5.001,566 3.125,567 4.349,568 4.826,569 3.852,570 1563.82,571 8.366,572 21877.7,574 1,576 1,577 347.076,578 1.2,579 4.813,580 0.182,581 0.005,582 0.08,583 0.033,584 0.032,585 0.027,586 0.02,587 0.01,588 0.009,589 0.006,590 0.405,591 0.5,592 0.88,593 0.335,594 150.017,595 -0.013,596 -0.17,597 0.082,598 -0.049,599 -0.063,600 0.015,601 -0.013,602 0.058,603 -0.023,604 0.028,605 0.04,606 0.011,607 -0.086,608 -0.01,609 -0.131,610 -0.092,611 -0.014,612 -0.111,613 -0.066,614 -0.115,615 -0.123,616 -0.121,617 -0.081,618 -0.129,619 0.154,620 -0.019,621 0.092,622 0.003,623 0.111,624 0.034,625 0.093,626 -0.047,627 0.087,628 -0.009,629 0.108,630 0.033,631 -0.193,632 0.028,633 -0.105,634 0.03,635 -0.19,636 -0.018,637 0.013,638 0.053,639 -0.034,640 0.047,641 -0.091,642 0.002,643 1.993,644 5.273,645 0.931,646 33.37,647 0.992,648 1.126,649 2.946,650 8.68,651 0.645,652 3.526,653 3.871,654 4.159,655 4.394,656 4.635,657 4.727,658 4.883,659 4.977,660 5.063,661 5.209,662 7.645,663 0.603,664 394.56,665 3.526,666 5.081,667 5.943,668 6.825,669 7.7,670 8.587,671 9.468,672 10.357,673 11.241,674 12.133,675 3.4,678 2,688 8,693 4,695 12,712 2,714 59,716 12,717 2,718 33,720 63,721 24,722 12,723 4,724 8,730 5,731 6,740 5,741 1,743 5,745 12,746 12,747 1,761 1,764 30,765 5,766 1,767 5,773 2,777 0.8,778 3,781 1,792 1,793 4,796 1,815 2,817 1,819 4,827 29,832 1,833 10,835 2,837 1,838 2,839 1,847 5.1,848 1,852 2,854 13.583,855 10.183,856 6.222,857 3.756,858 1.98,859 1.246,860 0.956,861 5.417,862 10.034,863 3.689,864 4.205,865 4.691,866 5.147,867 5.609,868 5.681,869 5.926,870 6.063,871 6.101,872 6.339,873 0.889,874 46,875 10.834,877 4.728,878 7.474,879 21.572,881 18.818,883 1.974,884 57.25,886 1,887 1,888 341.362,889 119.985,890 6.249,892 64.683,895 119.985,896 406.045,897 6.249,899 27.317,900 118.493,902 45.106,903 23.542,904 317.82,906 341.362,907 126.234,908 64.683,911 247.193,912 116.169,913 42.683,915 33.566,916 92.668,919 341.362,920 70.932,921 119.985,924 341.362,925 44.175,926 82.059,928 64.683,929 341.362,930 70.932,931 119.985,933 0.587,934 0.344,935 0.179,936 0.095,937 25,938 9,939 0.063,940 4,941 1,942 1.074,943 4.271,944 258.62,945 0.074,946 27,947 126.127,951 19.225,952 8.172,953 4.114,955 70.932,956 16.628,961 3.896,963 42.683,964 532.279,965 39,975 58.556,976 66.438,977 0.239,978 0.527,979 0.708,980 0.805,981 0.85,982 0.85,983 4.963,984 1.508,985 5.943,986 4.223,987 4.554,988 4.89,989 2.205,990 6.786,991 4.474,992 6.128,993 1.36,994 7.525,995 4.06,996 4.205,997 4.575,998 0.57,999 7.989,1000 4.046,1001 7.427,1002 1.055,1003 9.222,1004 3.022,1005 6.221,1006 6.924,1007 2.376,1008 11.027,1009 6.055,1010 8.76,1011 1,1012 10.997,1013 2.39,1014 6.746,1015 7.43,1016 0.581,1017 13.127,1018 6.508,1019 10.131,1020 1,1021 12.825,1022 2.372,1023 8.228,1024 9.276,1025 2.83,1026 15.781,1027 7.979,1028 11.526,1029 1,1030 14.692,1031 2.275,1032 9.136,1033 10.163,1034 0.515,1035 18.196,1036 8.83,1037 12.941,1038 0.423,1039 16.588,1040 2.136,1041 10.426,1042 11.79,1043 3.404,1044 20.774,1045 10.102,1046 3.454,1047 0.171,1048 18.507,1049 1.041,1050 11.504,1051 12.878,1052 0.441,1053 23.295,1054 11.136,1055 2.886,1056 13.209,1057 20.444,1058 0.426,1059 12.732,1060 14.394,1061 4.028,1062 25.865,1063 12.341,1064 2.823,1065 9.158,1066 22.395,1067 4.029,1068 13.887,1069 15.598,1070 0.373,1071 28.422,1072 13.459,1073 2.613,1074 9.022,1075 24.357,1076 3.457,1077 15.1,1078 17.053,1079 4.672,1080 30.996,1081 14.646,1082 2.214,1083 7.662,1084 26.328,1085 3.449,1086 16.291,1087 18.327,1088 0.314,1089 33.567,1090 15.805,1091 1.782,1092 6.124,1093 28.307,1094 2.845,1095 17.506,1096 19.749,1097 5.325,1098 36.144,1099 16.992,1100 1.534,1101 5.323,1102 30.292,1103 2.416,1104 18.716,1105 21.066,1106 0.264,1107 38.721,1108 18.171,1109 11947,1110 17642,1111 22.94,1112 38.034,1113 49.898,1114 49.945,1115 50.062,1116 49.732,1117 49.649,1118 58.371,1119 9.153,1120 144.886,1121 47.726,1122 5.567,1123 5.806,1124 7.277,1125 5.49,1126 5.454,1127 7.029,1128 2.783,1129 20.61,1130 5.339,1131 6.74,1132 1.512,1133 1.513,1134 1.517,1135 1.507,1136 1.505,1137 1.769,1138 0.277,1139 4.39,1140 1.446,1141 4.037,1142 4.072,1143 3.971,1144 3.937,1145 6.447,1146 3.94,1147 3.932,1148 3.966,1149 3.858,1150 3.854,1151 5,1152 3.849,1153 3.838,1154 3.878,1155 3.746,1156 3.701,1157 4.756,1158 3.705,1159 3.683,1160 3.736,1161 3.567,1162 3.514,1163 4.394,1164 3.518,1165 3.332,1166 3.37,1167 3.228,1168 3.109,1169 4.304,1170 3.132,1171 3.175,1172 3.243,1173 3.03,1174 2.981,1175 4.076,1176 2.982,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.965,1182 2.91,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.755,1188 2.91,1189 0.138,1190 0.115,1191 0.227,1192 0.134,1193 0.105,1194 4.567,1195 0.122,1196 3.806,1197 0.042,1198 7.475,1199 0.4,1200 4.422,1201 0.101,1202 3.454,1203 4.029,1204 1.392,1205 13.209,1206 3.339,1207 1.965,1208 1.936,1209 2.115,1210 2.101,1211 1.498,1212 2.108,1213 1.918,1214 1.887,1215 2.051,1216 2.023,1217 1.297,1218 2.033,1219 1.791,1220 1.746,1221 1.942,1222 1.93,1223 1.117,1224 1.939,1225 1.644,1226 1.585,1227 1.846,1228 1.809,1229 1.042,1230 1.824,1231 1.208,1232 1.153,1233 1.513,1234 1.52,1235 0.825,1236 1.487,1237 1.156,1238 1.115,1239 1.513,1240 1.433,1241 0.825,1242 1.44,1243 1.153,1244 1.064,1245 1.458,1246 1.376,1247 0.699,1248 1.429,1249 1.153,1250 1.064,1251 1.437,1252 1.376,1253 0.593,1254 1.429,1255 4.205,1257 5.541,1258 2.398,1259 7.081,1260 4.595,1261 8.705,1262 6.581,1263 10.371,1270 11.273,1271 9.518,1273 10.899,1275 0.586,1276 5.193,1277 -0.743,1280 35.562,1281 83.075,1282 182.837,1283 245.566,1284 279.566,1285 295.076,1286 295.076,1287 43.947,1288 8.054,1289 45.17,1290 45.17,1291 29,1292 12.662,1293 3.7,1294 2.807,1295 39.987,1296 134,1297 131,1298 0.144,1299 212.033,1300 372.69,1301 509.12,1302 39308,1304 19.684,1305 0.679,1306 0.584,1307 19.684,1308 16.925,1309 14.194,1310 0.43,1311 0.328,1312 10.681,1313 13.682,1314 10.478,1315 8.559,1316 14.194,1317 10.824,1318 12.973,1319 0.276,1320 0.184,1321 12.973,1322 8.629,1323 11.397,1324 0.181,1325 0.109,1326 11.397,1327 6.864,1328 9.304,1329 0.116,1330 0.063,1331 9.304,1332 5.048,1333 7.576,1334 0.074,1335 0.037,1336 7.576,1337 3.773,1338 0.234,1339 88.67,1340 0.209,1341 28.145,1342 0.377,1343 160,1344 386.911,1345 174.571,1346 366.831,1347 509.56,1348 348,1349 190,1350 376.517,1351 205.628,1352 380.299,1353 562.48,1354 358,1355 4.886} {0 CHEMBL101686,1 1.371,2 12.808,3 4.7,4 22.091,5 106.358,6 6.148,7 0.357,8 4.114,9 4.265,10 3.513,11 3.61,12 5.021,13 3.551,14 4.716,15 4.94,16 3.831,17 4.026,18 5.548,19 3.923,20 5.011,21 5.281,22 3.843,23 4.168,24 5.786,25 4.021,26 5.048,27 5.338,28 3.78,29 4.142,30 5.829,31 3.976,32 4.965,33 5.258,34 3.72,35 4.028,36 5.764,37 3.877,38 4.827,39 5.101,40 3.656,41 3.933,42 5.682,43 3.802,44 4.747,45 5.01,46 3.599,47 3.868,48 5.639,49 3.733,50 4.722,51 4.998,52 3.43,53 3.777,54 5.607,55 3.631,56 0.069,57 0.852,58 14.389,59 5.369,60 8.224,61 8.152,62 0.252,63 1.364,64 26.097,65 9.084,66 20.703,67 14.034,68 0.308,69 1.62,70 34.441,71 11.726,72 32.401,73 18.135,74 0.342,75 1.598,76 35.497,77 11.905,78 40.706,79 18.581,80 0.334,81 1.46,82 32.931,83 10.311,84 37.105,85 16.389,86 0.356,87 1.322,88 29.147,89 8.815,90 33.412,91 14.031,92 0.285,93 1.217,94 26.736,95 8.485,96 34.186,97 13.366,98 0.338,99 1.132,100 26.261,101 7.726,102 37.274,103 12.284,104 18,105 37,106 0.227,107 0.516,108 0.731,109 0.824,110 0.851,111 0.851,112 3.303,113 1.086,114 -5.07,115 -4.97,116 -4.65,119 36.2,120 1,121 8,122 1,124 1,125 2,140 2,141 1,144 1,145 1,149 1,150 1,156 1,169 10,172 5,174 2,176 4,178 8,182 4,184 1,186 4,189 5,192 1,193 6,197 4,199 6,203 3,207 1,208 2,211 7,214 1,215 3,218 1,220 3,222 6,226 4,229 1,231 2,233 4,237 5,240 1,242 2,244 6,249 1,254 1,256 6,259 1092,260 17.784,261 17.784,262 17.784,263 17.784,264 17.784,265 16.524,266 19.419,267 10.962,268 18.037,269 13.824,270 13.824,271 13.824,272 13.824,273 13.824,274 11.81,275 24.545,276 5.242,277 14.22,278 4.487,279 2.738,280 1.441,281 0.88,282 0.716,283 0.716,284 3.988,288 1,289 1,290 704,291 3.606,294 63.135,295 154.596,298 112.836,302 1.976,303 18.287,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 55,315 333,316 4.586,317 3.592,318 6.719,319 4.149,320 3.173,321 4.52,322 1.907,323 10.946,324 3.099,325 3.881,326 3.295,327 5.783,328 3.611,329 2.643,330 3.237,331 0.8,332 7.948,333 2.557,334 3.673,335 2.782,336 5.417,337 3.441,338 2.47,339 2.894,340 0.149,341 7.111,342 2.405,343 3.407,344 2.534,345 5.035,346 3.141,347 2.186,348 2.619,350 6.012,351 2.078,352 3.287,353 2.236,354 4.792,355 2.97,356 2,357 2.39,359 5.411,360 1.925,361 2.85,362 1.828,363 4.543,364 2.76,365 1.758,366 1.953,368 4.353,369 1.758,370 2.797,371 1.522,372 3.964,373 2.471,374 1.502,375 1.796,377 3.501,378 1.452,379 2.551,380 1.382,381 3.772,382 2.24,383 1.243,384 1.566,386 3.033,387 1.238,388 2.28,389 1.18,390 3.414,391 2.091,392 1.134,393 1.263,395 2.307,396 1.082,397 2.043,398 1.077,399 3.286,400 1.984,401 1,402 1,404 2.275,405 0.983,406 2,407 0.83,408 3.203,409 1.612,410 0.647,411 0.871,413 1.548,414 0.623,415 1.576,416 0.72,417 2.794,418 1.505,419 0.51,420 0.534,422 0.903,423 0.506,424 1.216,425 0.402,426 2.488,427 0.903,428 -0.058,429 -0.065,431 -0.13,432 -0.055,433 0.846,434 0.053,435 2.369,436 0.743,437 -0.237,438 -0.247,440 -0.463,441 -0.229,442 0.811,443 -0.072,444 2.119,445 0.629,446 -0.377,447 -0.443,449 -0.81,450 -0.377,451 12.433,452 0.478,453 0.503,454 0.019,455 26.5,456 1.019,457 10,458 0.385,459 16.5,460 0.635,461 26.678,462 1.026,463 30.167,464 0.52,465 17.018,466 0.655,467 4.402,468 0.169,469 8.267,470 0.318,471 0.107,473 0.273,479 0.835,480 1.535,481 0.999,482 1.281,483 0.586,484 1.17,485 0.791,486 1.226,487 1.01,488 1.132,489 0.507,490 1.093,491 0.986,492 1.072,493 0.992,494 1.034,495 0.954,496 1.018,497 0.872,498 1.027,499 0.928,500 0.99,501 0.873,502 0.968,503 1.137,504 0.986,505 0.928,506 0.917,507 1.189,508 0.902,509 1.411,510 0.941,511 1.082,512 0.933,513 1.428,514 0.963,515 1.192,516 1.172,517 1.043,518 1.101,519 1.348,520 1.063,521 1.77,522 0.917,523 1.201,524 0.948,525 1.955,526 1.007,527 4.5,528 0.107,529 2.444,530 1.382,531 1.081,532 0.629,533 0.516,534 0.386,535 0.208,536 0.122,537 8389,538 15196,539 2.059,540 55.2,541 14,542 9,543 1,545 2,546 2,547 4,550 1.687,551 1.95,552 3.614,553 0.213,559 79.524,560 1.371,561 3.12,562 4.417,563 4.978,564 5.142,565 5.142,566 3.123,567 4.104,568 4.66,569 3.757,570 1220.9,571 8.065,572 15831.3,574 1,577 339.763,578 1.3,579 4.642,580 0.161,581 0.007,582 0.066,583 0.038,584 0.033,585 0.02,586 0.018,587 0.014,588 0.009,589 0.006,590 0.373,591 0.17,592 1,593 1.987,594 129.753,595 -0.003,596 -0.181,597 0.054,598 -0.048,599 0.018,601 0.11,602 -0.044,603 0.012,604 -0.039,605 0.12,606 -0.026,607 -0.018,608 -0.04,610 -0.018,611 -0.005,612 -0.01,613 0.059,614 -0.05,615 0.048,616 -0.004,617 0.066,618 0.018,619 -0.004,620 -0.011,621 0.072,622 0.034,623 -0.022,624 0.057,625 -0.071,626 0.104,627 -0.045,628 0.019,629 -0.1,630 -0.005,631 0.041,632 -0.138,633 -0.022,634 -0.106,635 0.009,636 -0.075,637 -0.2,638 0.094,639 -0.152,640 -0.017,641 -0.171,642 -0.069,643 1.593,644 5.178,645 0.577,646 29.385,647 0.985,648 1.138,649 3.84,650 14.745,651 0.623,652 3.367,653 3.638,654 3.871,655 4.127,656 4.344,657 4.443,658 4.585,659 4.71,660 4.71,661 4.727,662 7.102,663 0.572,664 356.57,665 3.367,666 4.875,667 5.7,668 6.558,669 7.412,670 8.284,671 9.154,672 10.036,673 10.916,674 11.805,675 6.9,678 1,682 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 58,716 11,718 28,720 60,721 21,722 7,730 3,731 4,736 1,740 2,741 1,743 8,745 8,746 13,747 1,750 1,755 1,759 1,764 32,765 4,766 2,767 5,773 4,777 0.667,778 1,786 1,788 1,792 1,793 2,796 1,805 1,815 1,819 2,823 2,827 26,833 10,834 1,837 1,838 1,847 1.7,850 1,854 13.333,855 10.65,856 5.917,857 4.09,858 2.132,859 1.294,860 0.959,861 6.956,862 9.384,863 3.555,864 4.065,865 4.601,866 5.204,867 5.7,868 6.074,869 6.494,870 6.875,871 6.868,872 7.056,873 0.889,874 36,875 9.695,877 3.999,878 7.487,879 19.367,881 16.063,883 1.987,884 51.667,886 1,887 1,888 353.133,889 84.216,890 54.706,892 25.145,895 84.216,896 378.278,897 54.706,898 17.222,899 42.498,900 28,901 46.635,902 25.24,903 16.243,904 341.362,906 353.133,907 138.922,908 25.145,911 306.049,912 72.229,915 73.378,916 48.759,917 16.786,919 353.133,920 79.851,921 84.216,924 353.133,925 38.994,926 48.346,927 34.796,928 41.93,929 353.133,930 79.851,931 84.216,933 0.561,934 0.313,935 0.166,936 0.092,937 16,938 7,939 0.133,940 8,941 1,942 1.133,943 3.92,944 204.897,945 0.133,946 15,947 115.457,951 19.223,952 9.408,953 5.236,954 2.066,955 63.066,956 6.025,957 4.75,958 3.342,961 1.966,963 34.796,964 517.2,965 34,970 12.178,974 0.074,975 57.105,976 66.015,977 0.234,978 0.533,979 0.754,980 0.85,981 0.878,982 0.878,983 4.775,984 1.243,985 5.652,986 3.501,987 4.317,988 4.749,989 2.08,990 6.415,991 4.261,992 5.926,993 1.134,994 7.174,995 3.033,996 3.761,997 4.527,998 1.668,999 7.235,1000 3.677,1001 7.205,1002 1,1003 8.799,1004 2.307,1005 5.849,1006 6.891,1007 2.929,1008 10.351,1009 5.736,1010 8.523,1011 0.647,1012 10.489,1013 2.275,1014 6.155,1015 7.61,1016 3.047,1017 12.085,1018 6.017,1019 9.883,1020 0.51,1021 12.224,1022 1.548,1023 7.676,1024 9.451,1025 4.042,1026 14.715,1027 7.511,1028 11.272,1029 -0.058,1030 13.992,1031 0.903,1032 8.408,1033 10.609,1034 4.412,1035 16.835,1036 8.222,1037 12.686,1038 -0.237,1039 15.785,1040 -0.13,1041 9.693,1042 12.248,1043 5.251,1044 19.306,1045 9.482,1046 3.173,1047 -0.377,1048 17.598,1049 -0.463,1050 10.638,1051 13.606,1052 5.75,1053 21.586,1054 10.408,1055 2.643,1056 10.946,1057 19.428,1058 -0.81,1059 11.828,1060 15.166,1061 6.501,1062 24.004,1063 11.573,1064 2.47,1065 7.948,1066 21.27,1067 4.52,1068 12.878,1069 16.61,1070 7.068,1071 26.35,1072 12.603,1073 2.186,1074 7.111,1075 23.123,1076 3.237,1077 14.033,1078 18.139,1079 7.771,1080 28.751,1081 13.735,1082 2,1083 6.012,1084 24.984,1085 2.894,1086 15.133,1087 19.62,1088 8.374,1089 31.123,1090 14.814,1091 1.758,1092 5.411,1093 26.854,1094 2.619,1095 16.278,1096 21.136,1097 9.051,1098 33.518,1099 15.937,1100 1.502,1101 4.353,1102 28.729,1103 2.39,1104 17.403,1105 22.633,1106 9.674,1107 35.902,1108 17.04,1109 8292,1110 11337,1111 18.781,1112 36.137,1113 40.719,1114 41.414,1115 42.018,1116 40.554,1117 40.53,1118 49.29,1119 5.712,1120 110.696,1121 39.411,1122 5.586,1123 5.592,1124 6.672,1125 5.208,1126 5.173,1127 7.52,1128 3.306,1129 18.076,1130 5.062,1131 11.915,1132 1.454,1133 1.479,1134 1.501,1135 1.448,1136 1.447,1137 1.76,1138 0.204,1139 3.953,1140 1.408,1141 4.132,1142 4.174,1143 4.093,1144 4.017,1145 7.429,1146 4.031,1147 3.809,1148 3.876,1149 3.692,1150 3.663,1151 5.039,1152 3.657,1153 3.79,1154 3.852,1155 3.646,1156 3.652,1157 4.425,1158 3.642,1159 3.611,1160 3.672,1161 3.481,1162 3.436,1163 4.324,1164 3.434,1165 3.426,1166 3.499,1167 3.287,1168 3.266,1169 4.203,1170 3.266,1171 3.268,1172 3.345,1173 3.098,1174 3.073,1175 3.965,1176 3.069,1177 3.171,1178 3.263,1179 2.989,1180 2.952,1181 3.912,1182 2.944,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.711,1188 2.91,1189 0.164,1190 0.128,1191 0.24,1192 0.148,1193 0.113,1194 4.586,1195 0.161,1196 3.592,1197 0.068,1198 6.719,1199 0.391,1200 4.149,1201 0.111,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.099,1207 1.92,1208 1.883,1209 2.069,1210 2.056,1211 1.436,1212 2.06,1213 1.816,1214 1.761,1215 2.042,1216 1.995,1217 1.383,1218 1.999,1219 1.78,1220 1.721,1221 1.932,1222 1.94,1223 1.134,1224 1.961,1225 1.581,1226 1.518,1227 1.851,1228 1.78,1229 1.022,1230 1.803,1231 1.453,1232 1.384,1233 1.659,1234 1.68,1235 0.825,1236 1.676,1237 1.296,1238 1.226,1239 1.587,1240 1.546,1241 0.81,1242 1.56,1243 1.162,1244 1.066,1245 1.513,1246 1.426,1247 0.788,1248 1.458,1249 1.153,1250 1.064,1251 1.487,1252 1.376,1253 0.558,1254 1.429,1255 4.043,1257 5.323,1258 2.398,1259 6.792,1260 4.727,1261 8.357,1262 6.843,1263 9.979,1265 4.384,1271 10.969,1272 2.98,1275 0.553,1276 2.38,1280 33.176,1281 79.524,1282 180.975,1283 256.195,1284 288.743,1285 298.253,1286 298.253,1287 46.647,1288 7.251,1289 61.02,1290 61.02,1291 17,1292 12.337,1293 3.585,1294 2.807,1295 44.599,1296 109,1297 140,1298 0.2,1299 206.566,1300 352.57,1301 495.781,1302 13725,1304 18.355,1305 0.706,1306 0.622,1307 18.355,1308 16.183,1309 12.669,1310 0.452,1311 0.362,1312 10.035,1313 12.294,1314 9.765,1315 8.187,1316 12.669,1317 10.135,1318 10.908,1319 0.295,1320 0.206,1321 10.908,1322 7.627,1323 8.78,1324 0.187,1325 0.117,1326 8.78,1327 5.485,1328 7.159,1329 0.117,1330 0.063,1331 7.159,1332 3.814,1333 5.735,1334 0.075,1335 0.035,1336 5.735,1337 2.698,1338 0.321,1339 78.559,1340 0.231,1341 25.657,1342 0.528,1343 130,1344 299.691,1345 139.847,1346 293.699,1347 405.28,1348 276,1349 149,1350 300.439,1351 159.015,1352 305.57,1353 445.03,1354 288,1355 6.959} {0 CHEMBL101690,1 1.52,2 11.346,3 3.805,4 14.478,5 101.331,6 7.322,7 0.552,8 3.969,9 4.095,10 3.525,11 3.533,12 5.043,13 3.507,14 4.522,15 4.7,16 3.893,17 3.956,18 5.573,19 3.905,20 4.81,21 5.025,22 3.92,23 4.106,24 5.825,25 4.013,26 4.891,27 5.145,28 3.796,29 4.06,30 5.845,31 3.934,32 4.787,33 5.053,34 3.714,35 3.935,36 5.706,37 3.817,38 4.625,39 4.861,40 3.699,41 3.86,42 5.749,43 3.758,44 4.573,45 4.815,46 3.589,47 3.8,48 5.548,49 3.688,50 4.516,51 4.769,52 3.463,53 3.679,54 5.508,55 3.567,56 0.02,57 0.772,58 9.919,59 4.432,60 6.08,61 5.836,62 0.152,63 1.271,64 18.85,65 7.55,66 19.451,67 10.238,68 0.192,69 1.583,70 26.816,71 10.546,72 39.046,73 14.233,74 0.261,75 1.558,76 30.737,77 11.318,78 50.402,79 15.815,80 0.279,81 1.35,82 28.144,83 10.014,84 44.423,85 14.278,86 0.415,87 1.255,88 23.077,89 8.267,90 63.184,91 11.732,92 0.203,93 1.171,94 21.8,95 8.163,96 31.718,97 11.482,98 0.229,99 1.089,100 21.184,101 7.53,102 35.94,103 10.452,104 10,105 41,106 0.257,107 0.619,108 0.775,109 0.83,110 0.83,111 0.83,112 3.304,113 0.927,114 -4.54,115 -4.46,116 -4.2,119 43.8,121 2,122 1,124 1,125 2,140 7,141 3,142 2,149 1,150 1,156 1,169 10,172 3,174 1,176 6,178 11,182 3,186 7,189 8,193 5,197 5,199 6,203 3,207 1,208 1,211 9,215 2,218 1,220 2,222 11,226 2,229 1,231 1,233 7,237 3,240 1,242 2,244 6,254 2,256 6,259 968,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 15.629,266 20.514,267 10.251,268 17.866,269 14.303,270 14.303,271 14.303,272 14.303,273 14.303,274 11.279,275 25.416,276 4.898,277 14.727,278 4.065,279 1.931,280 1.008,281 0.682,282 0.682,283 0.682,284 4.002,287 1,288 1,289 1,290 646,291 2.828,294 59.335,295 232.544,298 105.574,302 1.68,303 24.627,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56,315 295,316 4.587,317 3.574,318 6.719,319 4.162,320 3.174,321 4.52,322 1.058,323 10.946,324 3.138,325 4.193,326 3.295,327 6.057,328 3.838,329 2.839,330 3.763,331 0.8,332 8.718,333 2.83,334 3.82,335 2.885,336 5.772,337 3.569,338 2.595,339 3.214,341 7.868,342 2.533,343 3.667,344 2.782,345 5.262,346 3.315,347 2.367,348 2.974,350 6.675,351 2.237,352 3.5,353 2.536,354 5.034,355 3.155,356 2.207,357 2.798,359 6.012,360 2.078,361 3.295,362 2.243,363 4.997,364 3.02,365 2.065,366 2.391,368 5.916,369 1.959,370 2.856,371 1.96,372 4.547,373 2.486,374 1.502,375 1.965,377 4.361,378 1.476,379 2.775,380 1.522,381 4.06,382 2.288,383 1.296,384 1.798,386 3.407,387 1.269,388 2.543,389 1.18,390 3.933,391 2.091,392 1.115,393 1.547,395 2.953,396 1.083,397 2.5,398 1.077,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.041,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.753,417 3.241,418 1.591,419 0.622,420 0.86,422 1.52,423 0.601,424 1.22,425 0.497,426 2.787,427 0.902,428 -0.057,429 -0.067,431 -0.138,432 -0.054,433 1.113,434 0.334,435 2.486,436 0.72,437 -0.221,438 -0.251,440 -0.489,441 -0.204,442 0.841,443 -0.03,444 2.267,445 0.622,446 -0.361,447 -0.467,449 -0.849,450 -0.346,451 12.319,452 0.474,453 0.661,454 0.025,455 32.75,456 1.26,457 16,458 0.615,459 16.75,460 0.644,461 21.023,462 0.809,463 27.881,464 0.581,465 23.629,466 0.909,467 6.416,468 0.247,469 6.181,470 0.238,471 0.091,473 0.357,477 1,479 0.65,480 1.12,481 0.78,482 1.021,483 0.513,484 0.936,485 0.701,486 0.997,487 0.871,488 0.965,489 0.489,490 0.94,491 0.885,492 1.06,493 1.03,494 1.112,495 0.782,496 1.098,497 0.827,498 0.925,499 0.983,500 1.037,501 0.795,502 1.037,503 0.724,504 0.76,505 0.835,506 0.867,507 0.744,508 0.871,509 0.581,510 0.787,511 0.939,512 0.956,513 0.5,514 0.993,515 0.674,516 0.932,517 0.939,518 1.036,519 0.637,520 1.031,521 0.916,522 0.868,523 0.982,524 0.952,525 0.898,526 0.971,527 5.5,528 0.104,529 3.333,530 1.507,531 1.383,532 0.782,533 0.454,534 0.466,535 0.3,536 0.136,537 8422,538 21290,539 2.124,540 45.8,541 1,542 14,543 1,545 2,547 4,550 1.689,551 2,552 3.474,553 0.213,555 1,559 72.977,560 1.52,561 3.654,562 4.576,563 4.903,564 4.903,565 4.903,566 2.917,567 3.95,568 4.67,569 3.586,570 1165.32,571 8.086,572 14530.1,574 1,576 1,577 268.078,578 1.37,579 4.637,580 0.19,581 0.006,582 0.081,583 0.038,584 0.041,585 0.024,586 0.015,587 0.017,588 0.013,589 0.006,590 0.43,591 0.5,592 1,593 0.54,594 127.614,595 -0.037,596 -0.069,597 0.044,598 0.01,599 -0.021,600 0.036,601 0.002,602 0.008,603 0.01,604 0.029,605 0.073,606 0.025,607 -0.07,608 -0.087,609 -0.103,610 -0.114,611 0.007,612 -0.112,613 -0.04,614 -0.068,615 -0.022,616 -0.064,617 -0.004,618 -0.043,619 0.013,620 0.008,621 0.134,622 0.089,623 -0.001,624 0.123,625 0.213,626 0.111,627 0.009,628 0.003,629 0.218,630 -0.022,631 0.04,632 -0.053,633 0.001,634 -0.061,635 0.014,636 -0.04,637 -0.04,638 -0.002,639 -0.006,640 0.003,641 -0.028,642 0.004,643 2.016,644 5.376,645 0.808,646 23.42,647 1,648 1.129,649 3.31,650 10.954,651 0.667,652 3.401,653 3.738,654 4.007,655 4.263,656 4.511,657 4.585,658 4.691,659 4.844,660 4.905,661 4.963,662 6.423,663 0.634,664 351.46,665 3.401,666 4.949,667 5.802,668 6.681,669 7.552,670 8.436,671 9.315,672 10.202,673 11.086,674 11.976,675 6.3,678 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,702 1,713 1,714 48,716 17,717 2,718 29,720 51,721 21,722 14,723 5,724 7,725 1,730 4,731 5,740 2,741 1,743 2,745 15,746 6,747 1,750 1,755 1,759 1,761 1,762 1,764 22,765 4,766 2,767 5,773 3,777 0.75,778 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 26,833 4,834 1,837 1,838 1,846 1,847 2.1,850 1,854 13,855 8.76,856 5.611,857 2.936,858 3.019,859 1.399,860 1.02,861 4.686,862 10.583,863 3.664,864 4.273,865 4.867,866 5.457,867 5.98,868 6.283,869 6.649,870 7.043,871 7.199,872 7.523,873 0.875,874 40,875 9.659,877 4.192,878 7.769,879 18.622,881 15.786,883 2.269,884 59,887 1,888 235.422,889 120.729,890 37.921,892 25.145,893 14.96,895 120.729,896 260.567,897 52.881,898 8.396,899 27.291,900 75.381,901 29.85,902 40.732,903 28.875,904 223.651,906 235.422,907 158.649,908 40.105,911 203.298,912 72.229,915 47.201,916 111.448,919 250.382,920 63.066,921 120.729,924 235.422,925 36.951,926 86.902,927 34.796,928 40.105,929 235.422,930 78.026,931 120.729,933 0.588,934 0.339,935 0.176,936 0.101,937 21,938 9,939 0.059,940 3,941 1,942 1.095,943 3.856,944 221.096,945 0.095,946 21,947 114.211,951 17.107,952 7.122,953 3.638,954 2.246,955 61.24,956 13.581,958 3.347,961 2.167,963 34.796,964 434.176,965 38,970 12.376,974 -0.235,975 47.981,976 54.196,977 0.272,978 0.654,979 0.819,980 0.878,981 0.878,982 0.878,983 4.905,984 1.296,985 5.79,986 4.361,987 4.419,988 4.959,989 1.435,990 6.592,991 4.368,992 6.109,993 1.115,994 7.344,995 3.407,996 4.007,997 4.783,998 0.325,999 7.466,1000 3.929,1001 7.415,1002 1,1003 8.994,1004 2.953,1005 6.009,1006 7.172,1007 1.379,1008 10.552,1009 5.921,1010 8.756,1011 1,1012 10.701,1013 2.275,1014 6.399,1015 7.849,1016 0.268,1017 12.275,1018 6.3,1019 10.129,1020 0.622,1021 12.445,1022 2.275,1023 7.874,1024 9.717,1025 1.406,1026 14.886,1027 7.766,1028 11.526,1029 -0.057,1030 14.216,1031 1.52,1032 8.638,1033 10.809,1034 0.188,1035 16.977,1036 8.528,1037 12.943,1038 -0.221,1039 16.008,1040 -0.138,1041 9.899,1042 12.461,1043 1.462,1044 19.431,1045 9.78,1046 3.174,1047 -0.361,1048 17.816,1049 -0.489,1050 10.85,1051 13.762,1052 0.125,1053 21.688,1054 10.729,1055 2.839,1056 10.946,1057 19.638,1058 -0.849,1059 12.024,1060 15.322,1061 1.533,1062 24.091,1063 11.895,1064 2.595,1065 8.718,1066 21.472,1067 4.52,1068 13.067,1069 16.727,1070 0.082,1071 26.42,1072 12.935,1073 2.367,1074 7.868,1075 23.314,1076 3.763,1077 14.209,1078 18.249,1079 1.613,1080 28.808,1081 14.069,1082 2.207,1083 6.675,1084 25.165,1085 3.214,1086 15.299,1087 19.705,1088 0.054,1089 31.17,1090 15.152,1091 2.065,1092 6.012,1093 27.023,1094 2.974,1095 16.433,1096 21.213,1097 1.698,1098 33.556,1099 16.277,1100 1.502,1101 5.916,1102 28.887,1103 2.798,1104 17.546,1105 22.694,1106 0.035,1107 35.933,1108 17.383,1109 7956,1110 12825,1111 19.592,1112 32.023,1113 44.103,1114 44.915,1115 45.037,1116 43.658,1117 43.564,1118 56.664,1119 3.717,1120 125.856,1121 42.374,1122 5.587,1123 5.574,1124 6.133,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.138,1131 11.599,1132 1.521,1133 1.549,1134 1.553,1135 1.505,1136 1.502,1137 1.954,1138 0.128,1139 4.34,1140 1.461,1141 4.149,1142 4.183,1143 4.106,1144 4.065,1145 8.201,1146 4.071,1147 3.92,1148 3.945,1149 3.875,1150 3.842,1151 7.429,1152 3.845,1153 3.809,1154 3.875,1155 3.687,1156 3.665,1157 4.965,1158 3.661,1159 3.496,1160 3.552,1161 3.431,1162 3.311,1163 4.603,1164 3.329,1165 3.26,1166 3.332,1167 3.172,1168 3.054,1169 4.377,1170 3.077,1171 3.151,1172 3.206,1173 3.005,1174 2.941,1175 4.295,1176 2.942,1177 3.111,1178 3.204,1179 2.866,1180 2.937,1181 3.859,1182 2.91,1183 2.909,1184 2.976,1185 2.761,1186 2.776,1187 3.685,1188 2.765,1189 0.158,1190 0.123,1191 0.232,1192 0.144,1193 0.109,1194 4.587,1195 0.156,1196 3.574,1197 0.036,1198 6.719,1199 0.377,1200 4.162,1201 0.108,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.138,1207 1.97,1208 1.945,1209 2.085,1210 2.067,1211 1.443,1212 2.074,1213 1.887,1214 1.863,1215 2.005,1216 2.01,1217 1.144,1218 2.013,1219 1.818,1220 1.765,1221 1.959,1222 1.957,1223 1.055,1224 1.959,1225 1.463,1226 1.395,1227 1.664,1228 1.69,1229 0.825,1230 1.684,1231 1.251,1232 1.203,1233 1.513,1234 1.518,1235 0.807,1236 1.509,1237 1.153,1238 1.064,1239 1.509,1240 1.388,1241 0.575,1242 1.429,1243 1.132,1244 1.052,1245 1.316,1246 1.376,1247 0.39,1248 1.385,1249 0.92,1250 0.871,1251 1.181,1252 1.113,1253 0.265,1254 1.131,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.528,1262 6.843,1263 10.173,1265 2.161,1267 13.023,1271 4.516,1272 2.913,1275 0.544,1276 2.361,1280 30.43,1281 72.977,1282 175.407,1283 219.672,1284 235.323,1285 235.323,1286 235.323,1287 43.774,1288 7.564,1289 48.13,1290 48.13,1291 23,1292 12.506,1293 4.17,1294 3.322,1295 38.116,1296 101,1297 104,1298 0.187,1299 184.794,1300 316.46,1301 442.658,1302 20221,1303 2.1,1304 18.096,1305 0.696,1306 0.568,1307 17.225,1308 14.758,1309 12.597,1310 0.434,1311 0.309,1312 8.855,1313 12.169,1314 8.649,1315 7.149,1316 12.204,1317 8.965,1318 11.597,1319 0.283,1320 0.172,1321 10.975,1322 7.043,1323 9.814,1324 0.182,1325 0.097,1326 9.403,1327 5.236,1328 7.949,1329 0.114,1330 0.053,1331 7.797,1332 3.682,1333 6.608,1334 0.073,1335 0.03,1336 6.397,1337 2.698,1338 0.294,1339 78.587,1340 0.226,1341 25.189,1342 0.509,1343 140,1344 410.157,1345 151.568,1346 376.997,1347 510.16,1348 352,1349 165,1350 370.956,1351 176.065,1352 374.098,1353 545.53,1354 352,1355 6.615} {0 CHEMBL102250,1 1.562,2 10,3 2.52,4 6.352,5 91.412,6 7.373,7 0.556,8 3.903,9 4.027,10 3.472,11 3.412,12 4.971,13 3.405,14 4.458,15 4.636,16 3.828,17 3.833,18 5.473,19 3.799,20 4.693,21 4.912,22 3.799,23 3.947,24 5.647,25 3.859,26 4.776,27 5.031,28 3.747,29 3.912,30 5.775,31 3.803,32 4.664,33 4.932,34 3.622,35 3.792,36 5.558,37 3.688,38 4.493,39 4.73,40 3.59,41 3.698,42 5.478,43 3.622,44 4.42,45 4.646,46 3.493,47 3.633,48 5.406,49 3.542,50 4.39,51 4.644,52 3.297,53 3.493,54 5.328,55 3.393,56 0.03,57 0.68,58 9.255,59 3.782,60 6.799,61 5.105,62 0.231,63 1.104,64 17.892,65 6.395,66 19.201,67 8.915,68 0.215,69 1.304,70 23.726,71 8.527,72 28.485,73 12.225,74 0.466,75 1.313,76 27.566,77 9.023,78 54.462,79 13.425,80 0.297,81 1.182,82 24.864,83 7.982,84 35.584,85 11.933,86 0.327,87 1.056,88 20.074,89 6.292,90 28.137,91 9.25,92 0.195,93 0.948,94 18.368,95 6.497,96 25.573,97 9.323,98 0.287,99 0.864,100 18.957,101 5.91,102 30.847,103 8.512,104 5,105 38,106 0.27,107 0.663,108 0.819,109 0.845,110 0.845,111 0.845,112 3.229,113 0.912,114 -2.81,115 -2.82,116 -2.73,119 40.9,121 2,122 1,124 1,125 2,140 3,141 2,144 1,145 1,149 3,150 1,156 1,169 5,172 7,174 2,176 4,178 3,182 4,184 1,186 4,189 1,192 2,193 5,195 1,197 3,199 3,203 2,207 1,208 1,211 5,214 2,215 2,218 1,220 2,222 4,226 3,229 1,231 1,233 2,237 4,240 1,242 1,244 3,249 1,252 1,256 2,259 802,260 16.447,261 16.447,262 16.447,263 16.447,264 16.447,265 14.629,266 18.887,267 9.664,268 16.703,269 13.336,270 13.336,271 13.336,272 13.336,273 13.336,274 10.541,275 24.753,276 4.611,277 13.736,278 3.898,279 1.62,280 0.716,281 0.563,282 0.563,283 0.563,284 3.926,287 1,288 1,289 1,290 529,291 2.739,294 119.404,295 131.341,298 94.302,302 1.583,303 19.962,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 52,315 240,316 4.587,317 3.574,318 6.719,319 4.15,320 3.174,321 4.52,322 1.058,323 10.946,324 3.1,325 4.173,326 3.295,327 6.054,328 3.827,329 2.827,330 3.709,331 0.8,332 8.703,333 2.824,334 3.797,335 2.783,336 5.771,337 3.557,338 2.589,339 3.174,341 7.865,342 2.507,343 3.571,344 2.54,345 5.249,346 3.243,347 2.301,348 2.844,350 6.626,351 2.165,352 3.3,353 2.268,354 5.033,355 3.053,356 2.107,357 2.392,359 5.999,360 1.985,361 3.148,362 2.164,363 4.548,364 2.657,365 1.648,366 2.356,368 4.367,369 1.654,370 2.848,371 1.522,372 4.211,373 2.471,374 1.502,375 1.952,377 3.932,378 1.452,379 2.553,380 1.18,381 3.956,382 2.098,383 1.147,384 1.57,386 3.021,387 1.088,388 2.283,389 1.077,390 3.414,391 1.984,392 1,393 1.135,395 2.275,396 0.983,397 2.118,398 1.038,399 3.284,400 1.798,401 0.797,402 1,404 1.907,405 0.794,406 2.037,407 0.744,408 3.185,409 1.618,410 0.618,411 0.927,413 1.461,414 0.618,415 2,416 0.618,417 3,418 1.567,419 0.599,420 0.842,422 1.372,423 0.577,424 1.215,425 0.402,426 2.639,427 0.867,428 -0.105,429 -0.122,431 -0.248,432 -0.101,433 0.842,434 -0.028,435 2.484,436 0.656,437 -0.314,438 -0.373,440 -0.772,441 -0.302,442 0.638,443 -0.496,444 2.207,445 0.129,446 -0.857,447 -1,449 -2.209,450 -0.84,451 11.267,452 0.469,453 0.554,454 0.023,455 30.5,456 1.271,457 14,458 0.583,459 16.5,460 0.688,461 18.696,462 0.779,463 25.933,464 0.589,465 20.76,466 0.865,467 5.935,468 0.247,469 5.768,470 0.24,471 0.074,473 0.346,479 0.843,480 1.423,481 0.781,482 1.126,483 0.567,484 0.964,485 0.93,486 1.076,487 0.899,488 0.941,489 0.565,490 0.91,491 0.804,492 1.189,493 1.009,494 1.155,495 0.776,496 1.118,497 0.689,498 0.996,499 0.918,500 0.973,501 0.879,502 0.976,503 0.829,504 0.956,505 0.869,506 0.885,507 0.869,508 0.877,509 0.926,510 0.875,511 1.03,512 0.904,513 0.892,514 0.952,515 0.814,516 1.148,517 0.98,518 1.151,519 0.78,520 1.1,521 1.213,522 0.818,523 1.069,524 0.895,525 1.375,526 0.942,527 4.5,528 0.048,529 2.889,530 1.285,531 1.251,532 0.549,533 0.443,534 0.379,535 0.234,536 0.087,537 6741,538 16547,539 2.161,540 45.5,541 1,542 10,543 3,545 2,547 4,550 1.669,551 2.057,552 3.322,553 0.296,554 1,555 1,557 1,559 68.718,560 1.562,561 3.839,562 4.743,563 4.897,564 4.897,565 4.897,566 2.757,567 4.085,568 4.555,569 3.446,570 951.062,571 7.86,572 11075,574 1,576 1,577 240.215,578 1.281,579 4.532,580 0.167,581 0.004,582 0.076,583 0.037,584 0.039,585 0.019,586 0.016,587 0.015,588 0.012,589 0.005,590 0.39,591 0.5,592 1,593 0.49,594 113.886,595 -0.056,596 -0.209,597 0.064,598 -0.067,599 0.004,600 0.006,601 -0.023,602 0.059,603 0.012,604 0.06,605 0.08,606 0.045,607 -0.038,608 -0.155,609 -0.082,610 -0.153,611 0.036,612 -0.13,613 0.176,614 -0.037,615 0.063,616 -0.004,617 0.158,618 0.011,619 -0.011,620 -0.002,621 0.118,622 0.076,623 0.001,624 0.112,625 -0.015,626 0.188,627 -0.064,628 0.034,629 -0.049,630 -0.008,631 0.035,632 -0.151,633 -0.032,634 -0.153,635 0.046,636 -0.109,637 -0.136,638 0.136,639 -0.062,640 0.051,641 -0.154,642 0.019,643 1.882,644 5.148,645 0.833,646 20.486,647 1.003,648 1.13,649 1.579,650 2.493,651 0.66,652 3.332,653 3.664,654 3.951,655 4.22,656 4.394,657 4.5,658 4.635,659 4.796,660 4.844,661 4.89,662 5.899,663 0.63,664 324.42,665 3.332,666 4.875,667 5.733,668 6.613,669 7.488,670 8.374,671 9.256,672 10.145,673 11.032,674 11.923,675 9.1,678 1,682 1,683 1,685 1,687 2,688 6,689 1,690 1,691 1,693 3,695 15,702 1,714 44,716 16,718 27,720 47,721 18,722 11,725 1,730 4,731 5,740 2,741 1,743 2,745 12,746 6,747 1,750 1,755 1,759 1,760 1,761 1,763 1,764 20,765 5,766 2,767 6,773 4,777 0.75,778 2,786 1,788 1,792 2,793 2,796 1,815 1,819 3,823 1,827 24,833 4,834 1,837 1,838 1,847 4.5,850 1,852 1,854 11.667,855 8.067,856 5.194,857 2.667,858 2.743,859 1.373,860 1.014,861 4.126,862 10.104,863 3.597,864 4.197,865 4.804,866 5.405,867 5.808,868 6.184,869 6.578,870 7.012,871 7.14,872 7.446,873 0.857,874 35,875 8.878,877 3.82,878 7.66,879 17.191,881 14.472,883 2.16,884 51.833,887 1,888 211.88,889 96.324,890 54.706,892 34.652,895 96.324,896 246.532,897 54.706,898 8.396,899 27.291,900 60.955,901 46.635,902 37.932,903 39.785,904 176.567,906 211.88,907 151.03,908 34.652,911 164.795,912 81.737,915 49.345,916 84.899,917 16.786,919 211.88,920 89.358,921 96.324,924 211.88,925 26.972,926 72.476,927 34.796,928 51.438,929 211.88,930 89.358,931 96.324,933 0.585,934 0.343,935 0.184,936 0.094,937 20,938 8,939 0.064,940 3,941 1,942 1.1,943 3.705,944 199.631,945 0.1,946 20,947 106.039,951 15.425,952 6.42,953 3.129,954 1.958,955 72.573,956 10.383,957 4.672,958 3.301,959 4.948,961 2.293,963 34.796,964 397.562,965 35.5,970 12.148,974 -0.216,975 44.131,976 49.734,977 0.286,978 0.703,979 0.869,980 0.897,981 0.897,982 0.897,983 4.834,984 1.147,985 5.714,986 3.932,987 4.344,988 4.883,989 1.435,990 6.521,991 4.289,992 6.03,993 1,994 7.268,995 3.021,996 3.892,997 4.663,998 0.325,999 7.402,1000 3.818,1001 7.332,1002 0.797,1003 8.92,1004 2.275,1005 5.932,1006 7.09,1007 1.379,1008 10.507,1009 5.83,1010 8.672,1011 0.618,1012 10.633,1013 1.907,1014 6.33,1015 7.792,1016 0.268,1017 12.25,1018 6.219,1019 10.048,1020 0.599,1021 12.385,1022 1.461,1023 7.808,1024 9.644,1025 1.406,1026 14.864,1027 7.668,1028 11.45,1029 -0.105,1030 14.164,1031 1.372,1032 8.59,1033 10.773,1034 0.188,1035 16.967,1036 8.444,1037 12.872,1038 -0.314,1039 15.964,1040 -0.248,1041 9.849,1042 12.405,1043 1.462,1044 19.422,1045 9.677,1046 3.174,1047 -0.857,1048 17.78,1049 -0.772,1050 10.814,1051 13.736,1052 0.125,1053 21.683,1054 10.633,1055 2.827,1056 10.946,1057 19.608,1058 -2.209,1059 11.987,1060 15.283,1061 1.533,1062 24.086,1063 11.782,1064 2.589,1065 8.703,1066 21.447,1067 4.52,1068 13.04,1069 16.706,1070 0.082,1071 26.417,1072 12.82,1073 2.301,1074 7.865,1075 23.295,1076 3.709,1077 14.183,1078 18.222,1079 1.613,1080 28.806,1081 13.94,1082 2.107,1083 6.626,1084 25.149,1085 3.174,1086 15.278,1087 19.689,1088 0.054,1089 31.168,1090 15.017,1091 1.648,1092 5.999,1093 27.01,1094 2.844,1095 16.413,1096 21.194,1097 1.698,1098 33.555,1099 16.128,1100 1.502,1101 4.367,1102 28.877,1103 2.392,1104 17.53,1105 22.681,1106 0.035,1107 35.932,1108 17.224,1109 6325,1110 10084,1111 18.493,1112 29.023,1113 41.274,1114 41.519,1115 41.295,1116 40.669,1117 40.618,1118 52.842,1119 3.717,1120 116.953,1121 39.492,1122 5.587,1123 5.574,1124 6.316,1125 5.217,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.066,1131 8.825,1132 1.529,1133 1.538,1134 1.529,1135 1.506,1136 1.504,1137 1.957,1138 0.138,1139 4.332,1140 1.463,1141 4.133,1142 4.174,1143 4.095,1144 4.018,1145 7.429,1146 4.032,1147 3.904,1148 3.912,1149 3.859,1150 3.747,1151 5.082,1152 3.771,1153 3.804,1154 3.87,1155 3.684,1156 3.65,1157 5.031,1158 3.65,1159 3.464,1160 3.523,1161 3.393,1162 3.278,1163 4.423,1164 3.293,1165 3.232,1166 3.318,1167 3.105,1168 2.99,1169 4.32,1170 3.004,1171 3.111,1172 3.206,1173 2.963,1174 2.941,1175 3.913,1176 2.91,1177 3.09,1178 3.132,1179 2.866,1180 2.842,1181 3.712,1182 2.866,1183 2.808,1184 2.889,1185 2.693,1186 2.562,1187 3.678,1188 2.588,1189 0.17,1190 0.132,1191 0.249,1192 0.154,1193 0.118,1194 4.587,1195 0.167,1196 3.574,1197 0.039,1198 6.719,1199 0.405,1200 4.15,1201 0.115,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.1,1207 1.919,1208 1.883,1209 2.068,1210 2.054,1211 1.436,1212 2.059,1213 1.81,1214 1.757,1215 1.93,1216 1.988,1217 1.027,1218 1.977,1219 1.576,1220 1.556,1221 1.677,1222 1.737,1223 0.825,1224 1.713,1225 1.452,1226 1.384,1227 1.658,1228 1.665,1229 0.81,1230 1.664,1231 1.263,1232 1.25,1233 1.513,1234 1.573,1235 0.758,1236 1.525,1237 1.173,1238 1.085,1239 1.489,1240 1.442,1241 0.558,1242 1.465,1243 1.153,1244 1.064,1245 1.429,1246 1.376,1247 0.361,1248 1.429,1249 1.018,1250 0.956,1251 1.226,1252 1.239,1253 0.303,1254 1.242,1255 4.007,1257 5.333,1258 3.045,1259 6.843,1260 5.283,1261 8.437,1262 7.298,1263 10.078,1265 2.16,1271 4.482,1272 2.831,1275 0.516,1276 2.356,1280 27.73,1281 68.718,1282 168.931,1283 208.705,1284 215.46,1285 215.46,1286 215.46,1287 33.3,1288 7.361,1289 74.16,1290 74.16,1291 22,1292 12.452,1293 4.087,1294 3.248,1295 33.88,1296 84,1297 85,1298 0.197,1299 168.537,1300 280.92,1301 402.99,1302 15306,1304 16.518,1305 0.688,1306 0.566,1307 16.518,1308 13.581,1309 11.704,1310 0.433,1311 0.304,1312 8.074,1313 11.193,1314 7.901,1315 6.533,1316 11.704,1317 8.206,1318 10.622,1319 0.28,1320 0.168,1321 10.622,1322 6.38,1323 9.153,1324 0.179,1325 0.093,1326 9.153,1327 4.735,1328 7.62,1329 0.114,1330 0.049,1331 7.62,1332 3.302,1333 5.784,1334 0.072,1335 0.029,1336 5.784,1337 2.282,1338 0.307,1339 73.766,1340 0.233,1341 23.412,1342 0.547,1343 130,1344 365.427,1345 142.725,1346 351.318,1347 484.33,1348 330,1349 154,1350 360.894,1351 167.504,1352 365.604,1353 534.02,1354 343,1355 5.959} {0 CHEMBL102292,1 1.5,2 9.773,3 2.097,4 4.397,5 87.048,6 6.699,7 0.417,8 3.896,9 4.047,10 3.372,11 3.355,12 4.892,13 3.329,14 4.469,15 4.686,16 3.717,17 3.77,18 5.434,19 3.707,20 4.723,21 4.973,22 3.717,23 3.915,24 5.594,25 3.81,26 4.773,27 5.044,28 3.654,29 3.891,30 5.681,31 3.762,32 4.687,33 4.966,34 3.548,35 3.753,36 5.581,37 3.637,38 4.505,39 4.766,40 3.464,41 3.646,42 5.41,43 3.544,44 4.426,45 4.677,46 3.37,47 3.57,48 5.369,49 3.451,50 4.417,51 4.702,52 3.095,53 3.428,54 5.28,55 3.282,56 0.042,57 0.701,58 10.705,59 3.577,60 6.807,61 5.664,62 0.299,63 1.091,64 19.937,65 6.176,66 24.948,67 9.85,68 0.263,69 1.263,70 25.962,71 8.048,72 28.831,73 12.811,74 0.317,75 1.236,76 27.57,77 8.559,78 42.353,79 13.593,80 0.319,81 1.108,82 25.641,83 7.071,84 39.352,85 11.669,86 0.278,87 0.99,88 21.141,89 5.899,90 25.572,91 9.708,92 0.215,93 0.903,94 19.282,95 5.914,96 26.96,97 9.476,98 0.284,99 0.796,100 19.684,101 5.296,102 28.664,103 8.713,104 14,105 33,106 0.262,107 0.618,108 0.807,109 0.837,110 0.837,111 0.837,112 3.147,113 0.986,114 -2.63,115 -2.65,116 -2.58,119 35.6,120 1,121 2,122 1,124 1,125 3,140 2,141 1,144 1,145 1,149 1,150 1,157 1,169 4,172 4,174 3,175 1,176 4,178 3,182 3,184 1,186 3,189 1,192 1,193 5,195 1,197 5,199 2,203 1,207 1,208 2,211 3,214 1,215 2,218 1,220 3,222 3,226 2,229 1,230 1,231 1,233 1,237 3,240 1,242 2,244 1,254 1,256 1,259 664,260 14.955,261 14.955,262 14.955,263 14.955,264 14.955,265 13.696,266 21.509,267 8.937,268 15.32,269 11.824,270 11.824,271 11.824,272 11.824,273 11.824,274 9.81,275 27.392,276 4.195,277 12.348,278 3.992,279 1.95,280 0.867,281 0.7,282 0.7,283 0.7,284 3.828,287 1,288 1,289 1,290 455,291 3,294 47.742,295 120.471,298 86.462,302 1.5,303 16.321,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 47.5,315 215,316 4.586,317 3.547,318 6.719,319 4.149,320 3.173,321 4.52,322 1.656,323 10.946,324 3.099,325 3.88,326 3.294,327 5.783,328 3.605,329 2.643,330 3.237,331 0.8,332 7.948,333 2.542,334 3.671,335 2.782,336 5.416,337 3.422,338 2.467,339 2.893,340 0.247,341 7.108,342 2.351,343 3.403,344 2.534,345 5.035,346 3.128,347 2.181,348 2.616,350 6.012,351 2.055,352 3.286,353 2.236,354 4.784,355 2.932,356 1.975,357 2.39,359 5.375,360 1.879,361 2.849,362 1.522,363 4.543,364 2.471,365 1.502,366 1.953,368 4.352,369 1.452,370 2.552,371 1.511,372 3.963,373 2.105,374 1.159,375 1.568,377 3.036,378 1.094,379 2.132,380 1.18,381 3.414,382 1.984,383 1.012,384 1.086,386 2.275,387 0.983,388 2.032,389 1.077,390 3.264,391 1.983,392 1,393 1,395 1.766,396 0.976,397 2,398 0.753,399 3.093,400 1.584,401 0.623,402 0.855,404 1.449,405 0.597,406 1.217,407 0.458,408 2.523,409 0.891,410 -0.064,411 -0.073,413 -0.148,414 -0.061,415 0.843,416 0.026,417 2.473,418 0.679,419 -0.274,420 -0.297,422 -0.604,423 -0.26,424 0.683,425 -0.124,426 2.144,427 0.425,428 -0.59,429 -0.691,431 -0.999,432 -0.584,433 0.612,434 -0.594,435 2,436 0.128,437 -0.859,438 -1,440 -2.211,441 -0.846,442 0.471,443 -0.784,444 2,445 0.071,446 -0.895,447 -1.137,449 -2.673,450 -0.866,451 10.333,452 0.47,453 0.503,454 0.023,455 25,456 1.136,457 10,458 0.455,459 15,460 0.682,461 18.816,462 0.855,463 25.067,464 0.557,465 16.688,466 0.759,467 4.739,468 0.215,469 5.93,470 0.27,471 0.129,473 0.329,479 0.899,480 1.619,481 0.902,482 1.243,483 0.608,484 1.087,485 0.741,486 1.092,487 0.917,488 0.989,489 0.459,490 0.97,491 0.981,492 1.084,493 1.005,494 1.045,495 0.874,496 1.028,497 0.848,498 1.045,499 0.943,500 1.046,501 0.87,502 1.015,503 1.193,504 0.993,505 0.974,506 0.913,507 1.272,508 0.915,509 1.116,510 0.979,511 1.075,512 0.977,513 0.943,514 1.003,515 0.815,516 1.238,517 1.05,518 1.248,519 0.812,520 1.188,521 1.354,522 0.889,523 1.172,524 0.969,525 1.426,526 1.033,527 4.5,528 0.066,529 2.444,530 1.382,531 1.001,532 0.573,533 0.475,534 0.355,535 0.196,536 0.096,537 4817,538 10852,539 2.07,540 51.1,541 1,542 11,543 1,545 3,547 7,550 1.645,551 1.941,552 3.27,553 1.069,554 1,555 1,557 1,559 67.482,560 1.5,561 3.542,562 4.625,563 4.792,564 4.792,565 4.792,566 2.716,567 4.187,568 4.425,569 3.364,570 776.995,571 7.608,572 8467.6,574 1,576 1,577 247.133,578 1.395,579 4.392,580 0.188,581 0.009,582 0.074,583 0.043,584 0.035,585 0.022,586 0.02,587 0.017,588 0.013,589 0.008,590 0.428,591 0.5,592 1,593 1.405,594 101.052,595 -0.065,596 -0.272,597 0.053,598 -0.073,599 -0.024,600 -0.004,601 0.182,602 0.094,603 0.058,604 0.062,605 0.178,606 0.045,607 -0.076,608 -0.026,609 -0.038,610 -0.02,611 -0.033,612 -0.022,613 0.056,614 -0.065,615 0.023,616 -0.042,617 0.081,618 -0.018,619 -0.093,620 -0.032,621 0.021,622 0.036,623 -0.092,624 0.043,625 -0.089,626 0.079,627 -0.085,628 -0.014,629 -0.08,630 -0.041,631 0.094,632 -0.196,633 -0.084,634 -0.232,635 0.047,636 -0.189,637 -0.179,638 0.055,639 -0.169,640 -0.049,641 -0.182,642 -0.098,643 1.884,644 4.634,645 0.682,646 18.777,647 0.995,648 1.143,649 1.398,650 1.955,651 0.63,652 3.219,653 3.526,654 3.784,655 4.06,656 4.277,657 4.382,658 4.522,659 4.644,660 4.635,661 4.605,662 5.562,663 0.59,664 301.44,665 3.219,666 4.745,667 5.587,668 6.463,669 7.33,670 8.216,671 9.095,672 9.987,673 10.873,674 11.768,675 11.1,678 1,682 2,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 45,716 11,718 24,720 47,721 16,722 7,730 3,731 4,735 1,736 1,740 2,741 1,743 2,745 8,746 8,747 1,750 1,755 1,759 1,760 1,761 1,764 23,765 5,766 3,767 6,773 5,777 0.667,778 1,786 1,788 1,792 1,793 2,796 1,815 1,819 2,823 2,827 22,833 5,834 2,837 1,838 1,847 2.2,850 1,854 11.333,855 8.4,856 4.917,857 2.903,858 2.159,859 1.31,860 0.979,861 4.645,862 9.122,863 3.434,864 3.994,865 4.56,866 5.181,867 5.68,868 6.06,869 6.482,870 6.863,871 6.849,872 7.015,873 0.857,874 32,875 8.148,877 3.397,878 7.621,879 15.917,881 13.104,883 2.121,884 46.667,885 0.001,888 235.422,889 70.685,890 72.717,892 25.145,895 70.685,896 260.567,897 72.717,898 17.222,899 47.408,900 28,901 41.93,902 25.24,903 20.519,904 223.651,906 235.422,907 143.402,908 25.145,911 153.024,912 107.543,915 78.287,916 48.33,917 16.786,919 235.422,920 97.862,921 70.685,924 235.422,925 25.464,926 48.346,927 52.807,928 41.93,929 235.422,930 97.862,931 70.685,933 0.572,934 0.327,935 0.178,936 0.096,937 16,938 7,939 0.064,940 3,941 1,942 1.133,943 3.444,944 170.414,945 0.133,946 15,947 94.107,951 15.317,952 6.672,953 3.443,954 1.999,955 81.076,956 5.873,957 4.635,958 3.298,961 1.856,963 52.807,964 403.969,965 30,970 11.634,974 -0.217,975 44.789,976 51.438,977 0.273,978 0.645,979 0.842,980 0.872,981 0.872,982 0.872,983 4.668,984 1.012,985 5.565,986 3.036,987 4.205,988 4.677,989 1.911,990 6.361,991 4.126,992 5.849,993 1,994 7.111,995 2.275,996 3.761,997 4.527,998 1.305,999 7.235,1000 3.66,1001 7.146,1002 0.623,1003 8.756,1004 1.766,1005 5.778,1006 6.867,1007 2.455,1008 10.338,1009 5.629,1010 8.481,1011 -0.064,1012 10.461,1013 1.449,1014 6.155,1015 7.61,1016 2.354,1017 12.085,1018 5.994,1019 9.854,1020 -0.274,1021 12.206,1022 -0.148,1023 7.639,1024 9.444,1025 3.254,1026 14.712,1027 7.438,1028 11.252,1029 -0.59,1030 13.981,1031 -0.604,1032 8.408,1033 10.609,1034 3.414,1035 16.834,1036 8.198,1037 12.673,1038 -0.859,1039 15.778,1040 -0.999,1041 9.675,1042 12.247,1043 4.158,1044 19.305,1045 9.434,1046 3.173,1047 -0.895,1048 17.594,1049 -2.211,1050 10.638,1051 13.606,1052 4.466,1053 21.586,1054 10.386,1055 2.643,1056 10.946,1057 19.425,1058 -2.673,1059 11.82,1060 15.166,1061 5.112,1062 24.004,1063 11.541,1064 2.467,1065 7.948,1066 21.268,1067 4.52,1068 12.877,1069 16.61,1070 5.504,1071 26.35,1072 12.585,1073 2.181,1074 7.108,1075 23.121,1076 3.237,1077 14.029,1078 18.139,1079 6.091,1080 28.75,1081 13.714,1082 1.975,1083 6.012,1084 24.984,1085 2.893,1086 15.132,1087 19.62,1088 6.531,1089 31.123,1090 14.8,1091 1.502,1092 5.375,1093 26.853,1094 2.616,1095 16.276,1096 21.136,1097 7.083,1098 33.518,1099 15.922,1100 1.159,1101 4.352,1102 28.728,1103 2.39,1104 17.403,1105 22.633,1106 7.551,1107 35.902,1108 17.029,1109 4780,1110 7287,1111 16.008,1112 28.336,1113 35.782,1114 36.396,1115 37.028,1116 35.477,1117 35.469,1118 44.234,1119 5.406,1120 100.533,1121 34.055,1122 5.586,1123 5.547,1124 6.491,1125 5.208,1126 5.173,1127 7.52,1128 2.912,1129 18.076,1130 5.06,1131 10.449,1132 1.491,1133 1.517,1134 1.543,1135 1.478,1136 1.478,1137 1.843,1138 0.225,1139 4.189,1140 1.419,1141 4.131,1142 4.172,1143 4.092,1144 4.016,1145 7.431,1146 4.03,1147 3.807,1148 3.875,1149 3.689,1150 3.653,1151 5.039,1152 3.653,1153 3.655,1154 3.728,1155 3.564,1156 3.403,1157 4.43,1158 3.427,1159 3.426,1160 3.501,1161 3.297,1162 3.256,1163 4.327,1164 3.255,1165 3.236,1166 3.324,1167 3.068,1168 2.999,1169 4.2,1170 3.008,1171 3.117,1172 3.206,1173 2.953,1174 2.941,1175 3.913,1176 2.91,1177 3.111,1178 3.186,1179 2.866,1180 2.874,1181 3.711,1182 2.885,1183 2.821,1184 2.911,1185 2.695,1186 2.575,1187 3.654,1188 2.598,1189 0.191,1190 0.148,1191 0.28,1192 0.173,1193 0.132,1194 4.586,1195 0.188,1196 3.547,1197 0.069,1198 6.719,1199 0.456,1200 4.149,1201 0.129,1202 3.173,1203 4.52,1204 1.656,1205 10.946,1206 3.099,1207 1.918,1208 1.882,1209 2.068,1210 2.055,1211 1.436,1212 2.059,1213 1.808,1214 1.755,1215 1.93,1216 1.99,1217 1.028,1218 1.978,1219 1.559,1220 1.479,1221 1.842,1222 1.824,1223 0.987,1224 1.827,1225 1.453,1226 1.384,1227 1.659,1228 1.681,1229 0.825,1230 1.677,1231 1.227,1232 1.155,1233 1.513,1234 1.513,1235 0.808,1236 1.512,1237 1.153,1238 1.064,1239 1.495,1240 1.391,1241 0.558,1242 1.429,1243 1.114,1244 1.027,1245 1.354,1246 1.376,1247 0.377,1248 1.402,1249 0.896,1250 0.835,1251 1.171,1252 1.124,1253 0.268,1254 1.147,1255 3.892,1257 5.198,1258 2.398,1259 6.698,1260 4.727,1261 8.289,1262 6.843,1263 9.931,1265 4.054,1271 5.139,1272 5.494,1275 0.539,1276 2.362,1280 26.563,1281 67.482,1282 159.382,1283 208.114,1284 215.624,1285 215.624,1286 215.624,1287 31.369,1288 6.962,1289 73.05,1290 73.05,1291 17,1292 12.296,1293 3.585,1294 2.807,1295 34.46,1296 71,1297 84,1298 0.239,1299 165.398,1300 277.07,1301 395.332,1302 8839,1304 15.527,1305 0.706,1306 0.598,1307 15.527,1308 13.148,1309 10.669,1310 0.445,1311 0.329,1312 7.765,1313 10.217,1314 7.558,1315 6.303,1316 10.669,1317 7.885,1318 9.494,1319 0.288,1320 0.179,1321 9.494,1322 5.899,1323 7.761,1324 0.18,1325 0.1,1326 7.761,1327 4.289,1328 6.556,1329 0.115,1330 0.053,1331 6.556,1332 3.041,1333 5.119,1334 0.072,1335 0.03,1336 5.119,1337 2.161,1338 0.37,1339 67.013,1340 0.25,1341 21.652,1342 0.669,1343 114,1344 298.024,1345 125.733,1346 289.844,1347 399.72,1348 272,1349 133,1350 298.129,1351 144.347,1352 301.867,1353 441.29,1354 284,1355 7.398} {0 CHEMBL103424,1 1.431,2 8.4,3 1.935,4 3.745,5 80.942,6 6.62,7 0.455,8 3.796,9 3.938,10 3.269,11 3.316,12 4.777,13 3.274,14 4.37,15 4.576,16 3.625,17 3.741,18 5.297,19 3.67,20 4.634,21 4.863,22 3.604,23 3.908,24 5.499,25 3.786,26 4.722,27 4.995,28 3.522,29 3.905,30 5.488,31 3.741,32 4.64,33 4.92,34 3.423,35 3.764,36 5.448,37 3.606,38 4.479,39 4.754,40 3.297,41 3.605,42 5.298,43 3.461,44 4.325,45 4.594,46 3.17,47 3.436,48 5.217,49 3.296,50 4.227,51 4.509,52 2.782,53 3.23,54 5.1,55 3.054,56 0.043,57 0.616,58 9.662,59 3.69,60 6.3,61 5.422,62 0.179,63 0.999,64 17.831,65 6.241,66 18.164,67 9.422,68 0.217,69 1.2,70 23.47,71 8.423,72 27.841,73 12.434,74 0.16,75 1.229,76 25.513,77 9.643,78 24.259,79 14.368,80 0.209,81 1.103,82 23.851,83 8.476,84 29.179,85 12.696,86 0.206,87 0.961,88 20.394,89 6.731,90 21.499,91 10.319,92 0.185,93 0.815,94 17.447,95 5.704,96 22.967,97 8.813,98 0.226,99 0.692,100 16.172,101 4.843,102 24.18,103 7.44,104 12,105 31,106 0.255,107 0.618,108 0.805,109 0.826,110 0.826,111 0.826,112 3.058,113 0.982,114 -2.97,115 -2.97,116 -2.87,119 39,120 1,121 2,122 1,124 1,125 2,140 3,141 2,142 1,149 1,150 1,156 1,169 6,172 3,174 1,176 6,178 7,182 1,186 5,189 6,193 3,197 3,199 6,203 3,207 1,208 1,211 5,215 2,218 1,220 2,222 3,226 2,229 1,231 1,233 1,237 3,240 1,244 2,259 488,260 13.378,261 13.378,262 13.378,263 13.378,264 13.378,265 12.066,266 18.206,267 7.863,268 13.569,269 10.875,270 10.875,271 10.875,272 10.875,273 10.875,274 8.843,275 23.82,276 3.766,277 11.169,278 3.927,279 1.887,280 0.836,281 0.72,282 0.72,283 0.72,284 3.737,287 1,288 1,289 1,290 357,291 2.646,294 40.663,295 104.956,298 74.498,302 1.34,303 12.451,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 42.5,315 168,316 4.586,317 3.535,318 6.719,319 4.161,320 3.172,321 4.52,322 1.907,323 10.946,324 3.137,325 3.861,326 3.294,327 5.781,328 3.607,329 2.631,330 3.226,331 0.8,332 7.931,333 2.569,334 3.645,335 2.782,336 5.358,337 3.389,338 2.426,339 2.876,340 0.149,341 6.945,342 2.338,343 3.343,344 2.532,345 5.034,346 3.107,347 2.156,348 2.51,350 6.005,351 2.042,352 3.27,353 2.234,354 4.555,355 2.863,356 1.85,357 2.39,359 4.578,360 1.856,361 2.848,362 1.522,363 4.41,364 2.486,365 1.502,366 1.951,368 4.325,369 1.476,370 2.549,371 1.18,372 3.954,373 2.105,374 1.14,375 1.563,377 3.015,378 1.098,379 2.043,380 1.077,381 3.414,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 0.768,390 3.238,391 1.598,392 0.63,393 0.868,395 1.536,396 0.608,397 1.218,398 0.54,399 2.646,400 0.901,401 -0.067,402 -0.078,404 -0.163,405 -0.065,406 0.843,407 0.098,408 2.483,409 0.684,410 -0.286,411 -0.318,413 -0.693,414 -0.276,415 0.646,416 -0.095,417 2.159,418 0.145,419 -0.851,420 -1,422 -2,423 -0.83,424 0.543,425 -0.634,426 2,427 0.109,428 -0.89,429 -1.045,431 -2.237,432 -0.871,433 0.291,434 -0.784,435 2,436 0.064,437 -1,438 -1.233,440 -2.674,441 -0.946,443 -0.824,444 1.683,445 -0.049,446 -1,447 -1.37,449 -3,450 -1.095,451 9.533,452 0.477,453 0.541,454 0.027,455 23,456 1.15,457 10,458 0.5,459 13,460 0.65,461 16.743,462 0.837,463 22.267,464 0.543,465 14.561,466 0.728,467 4.38,468 0.219,469 5.251,470 0.263,471 0.14,473 0.357,479 0.827,480 1.422,481 0.905,482 1.148,483 0.575,484 1.045,485 0.837,486 1.084,487 0.914,488 0.951,489 0.46,490 0.931,491 1.151,492 1.052,493 1.155,494 1.07,495 1.071,496 1.107,497 0.54,498 1.046,499 0.915,500 1.081,501 0.422,502 1.046,503 0.758,504 1.006,505 0.908,506 1.015,507 0.808,508 0.988,509 0.933,510 0.994,511 1.004,512 0.999,513 0.79,514 1.001,515 0.836,516 1.155,517 0.991,518 1.111,519 0.753,520 1.07,521 1.533,522 0.917,523 1.298,524 1.047,525 1.586,526 1.127,527 4.5,528 0.058,529 2.222,530 1.257,531 1.001,532 0.573,533 0.455,534 0.312,535 0.144,536 0.071,537 3623,538 8094,539 2.077,540 51.2,541 1,542 10,543 1,545 2,546 3,547 4,550 1.619,551 1.935,552 3.081,553 0.311,555 1,557 1,559 58.666,560 1.431,561 3.471,562 4.522,563 4.638,564 4.638,565 4.638,566 2.504,567 3.884,568 4.289,569 3.178,570 603.899,571 7.339,572 6047.02,573 1,574 1,576 1,577 219.66,578 1.441,579 4.248,580 0.205,581 0.019,582 0.072,583 0.043,584 0.038,585 0.025,586 0.023,587 0.018,588 0.014,589 0.01,590 0.468,591 0.83,592 1,593 1.059,594 87.789,595 -0.033,596 -0.15,597 0.055,598 -0.023,599 -0.02,600 0.018,601 0.043,602 0.073,603 0.059,604 0.087,605 0.134,606 0.08,607 -0.192,608 0.012,609 -0.187,610 -0.044,611 -0.12,612 -0.105,613 0.037,614 -0.086,615 0.015,616 -0.062,617 0.068,618 -0.03,619 0.053,620 -0.067,621 0.05,622 -0.031,623 0.005,625 -0.016,626 -0.005,627 -0.029,628 -0.044,629 -0.027,630 -0.037,631 0.115,632 -0.172,633 -0.015,634 -0.153,635 0.096,636 -0.105,637 -0.192,638 0.041,639 -0.284,640 -0.148,641 -0.201,642 -0.213,643 1.694,644 4.186,645 0.75,646 14.52,647 0.99,648 1.133,649 1.74,650 3.028,651 0.642,652 3.135,653 3.466,654 3.714,655 4.007,656 4.234,657 4.331,658 4.466,659 4.554,660 4.489,661 4.443,662 4.974,663 0.598,664 271.4,665 3.135,666 4.673,667 5.517,668 6.402,669 7.272,670 8.164,671 9.046,672 9.941,673 10.83,674 11.728,675 7.3,678 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 41,716 11,717 1,718 22,720 43,721 16,722 8,723 3,724 3,730 3,731 4,736 1,740 2,741 1,743 2,745 9,746 7,747 1,750 1,755 1,759 1,760 1,761 1,764 21,765 3,766 2,767 4,773 3,777 0.667,778 1,788 1,792 1,793 2,796 1,805 1,815 1,819 2,823 2,827 20,833 4,834 1,837 1,838 1,847 2.4,850 1,854 10.333,855 7.783,856 4.333,857 2.532,858 2.174,859 1.32,860 0.989,861 3.703,862 8.96,863 3.367,864 3.956,865 4.518,866 5.159,867 5.666,868 6.042,869 6.459,870 6.821,871 6.759,872 6.909,873 0.833,874 29,875 7.406,877 3.111,878 7.583,879 14.598,881 12.269,883 2.083,884 41.667,885 0.001,888 223.651,889 79.342,890 37.921,892 25.145,895 79.342,896 248.796,897 37.921,898 17.222,899 27.291,900 37.476,901 29.85,902 28.425,903 13.915,904 211.88,906 223.651,907 117.263,908 25.145,911 176.567,912 72.229,915 56.026,916 61.237,919 223.651,920 63.066,921 79.342,924 223.651,925 24.645,926 57.822,927 34.796,928 25.145,929 223.651,930 63.066,931 79.342,933 0.584,934 0.321,935 0.177,936 0.102,937 16,938 7,939 0.047,940 2,941 1,942 1.133,943 3.233,944 151.961,945 0.133,946 15,947 82.439,951 13.5,952 5.487,953 2.854,954 2.388,955 46.28,956 8.205,958 3.351,961 2.263,963 34.796,964 366.059,965 28,970 11.186,974 -0.027,975 40.585,976 46.441,977 0.267,978 0.648,979 0.844,980 0.866,981 0.866,982 0.866,983 4.61,984 1,985 5.509,986 3.015,987 4.143,988 4.64,989 2.08,990 6.315,991 4.095,992 5.807,993 0.63,994 7.062,995 2.275,996 3.761,997 4.527,998 1.668,999 7.209,1000 3.705,1001 7.113,1002 -0.067,1003 8.713,1004 1.536,1005 5.727,1006 6.846,1007 2.929,1008 10.307,1009 5.638,1010 8.453,1011 -0.286,1012 10.421,1013 -0.163,1014 6.133,1015 7.6,1016 3.047,1017 12.065,1018 6.043,1019 9.827,1020 -0.851,1021 12.17,1022 -0.693,1023 7.598,1024 9.433,1025 4.042,1026 14.695,1027 7.483,1028 11.228,1029 -0.89,1030 13.948,1031 -2,1032 8.382,1033 10.601,1034 4.412,1035 16.824,1036 8.267,1037 12.65,1038 -1,1039 15.749,1040 -2.237,1041 9.644,1042 12.241,1043 5.251,1044 19.296,1045 9.511,1046 3.172,1047 -1,1048 17.569,1049 -2.674,1050 10.615,1051 13.602,1052 5.75,1053 21.581,1054 10.481,1055 2.631,1056 10.946,1057 19.403,1058 -3,1059 11.797,1060 15.163,1061 6.501,1062 24,1063 11.65,1064 2.426,1065 7.931,1066 21.249,1067 4.52,1068 12.859,1069 16.608,1070 7.068,1071 26.347,1072 12.709,1073 2.156,1074 6.945,1075 23.106,1076 3.226,1077 14.012,1078 18.137,1079 7.771,1080 28.748,1081 13.852,1082 1.85,1083 6.005,1084 24.97,1085 2.876,1086 15.119,1087 19.619,1088 8.374,1089 31.122,1090 14.952,1091 1.502,1092 4.578,1093 26.842,1094 2.51,1095 16.264,1096 21.135,1097 9.051,1098 33.517,1099 16.088,1100 1.14,1101 4.325,1102 28.719,1103 2.39,1104 17.392,1105 22.632,1106 9.674,1107 35.901,1108 17.209,1109 3591,1110 5447,1111 14.622,1112 26.324,1113 33.382,1114 33.691,1115 34.199,1116 33.011,1117 33.014,1118 41.809,1119 5.712,1120 95.113,1121 32.213,1122 5.586,1123 5.535,1124 6.133,1125 5.196,1126 5.172,1127 7.52,1128 3.306,1129 18.076,1130 5.137,1131 9.693,1132 1.517,1133 1.531,1134 1.555,1135 1.5,1136 1.501,1137 1.9,1138 0.26,1139 4.323,1140 1.464,1141 4.146,1142 4.18,1143 4.102,1144 4.062,1145 7.43,1146 4.068,1147 3.811,1148 3.878,1149 3.691,1150 3.667,1151 4.964,1152 3.663,1153 3.603,1154 3.657,1155 3.521,1156 3.38,1157 4.382,1158 3.404,1159 3.344,1160 3.405,1161 3.225,1162 3.179,1163 4.305,1164 3.181,1165 3.189,1166 3.284,1167 3.011,1168 2.965,1169 3.885,1170 2.962,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.792,1176 2.91,1177 2.918,1178 2.992,1179 2.758,1180 2.783,1181 3.64,1182 2.769,1183 2.652,1184 2.778,1185 2.398,1186 2.415,1187 3.474,1188 2.384,1189 0.208,1190 0.161,1191 0.305,1192 0.189,1193 0.144,1194 4.586,1195 0.205,1196 3.535,1197 0.087,1198 6.719,1199 0.498,1200 4.161,1201 0.143,1202 3.172,1203 4.52,1204 1.907,1205 10.946,1206 3.137,1207 1.965,1208 1.94,1209 2.084,1210 2.062,1211 1.443,1212 2.071,1213 1.824,1214 1.769,1215 1.984,1216 1.994,1217 1.14,1218 1.995,1219 1.47,1220 1.409,1221 1.707,1222 1.733,1223 0.825,1224 1.718,1225 1.449,1226 1.391,1227 1.664,1228 1.666,1229 0.809,1230 1.671,1231 1.176,1232 1.081,1233 1.513,1234 1.44,1235 0.719,1236 1.471,1237 1.153,1238 1.064,1239 1.503,1240 1.376,1241 0.574,1242 1.429,1243 0.976,1244 0.909,1245 1.219,1246 1.184,1247 0.361,1248 1.208,1249 0.778,1250 0.701,1251 1.088,1252 1.014,1253 0.227,1254 1.045,1255 3.807,1257 5.13,1258 2.398,1259 6.64,1260 4.727,1261 8.239,1262 6.843,1263 9.888,1265 3.722,1271 4.715,1272 2.863,1275 0.618,1276 2.383,1280 24.52,1281 58.666,1282 142.301,1283 185.395,1284 190.15,1285 190.15,1286 190.15,1287 26.407,1288 6.786,1289 48.13,1290 48.13,1291 17,1292 12.253,1293 3.585,1294 2.807,1295 29.901,1296 58,1297 61,1298 0.258,1299 151.81,1300 255.07,1301 362.176,1302 6916,1304 14.113,1305 0.706,1306 0.604,1307 14.113,1308 12.071,1309 9.631,1310 0.438,1311 0.327,1312 7.12,1313 9.302,1314 6.879,1315 5.725,1316 9.631,1317 7.204,1318 8.994,1319 0.29,1320 0.186,1321 8.994,1322 5.763,1323 7.048,1324 0.176,1325 0.105,1326 7.048,1327 4.193,1328 6.042,1329 0.112,1330 0.057,1331 6.042,1332 3.081,1333 4.898,1334 0.072,1335 0.033,1336 4.898,1337 2.254,1338 0.393,1339 59.923,1340 0.262,1341 19.707,1342 0.741,1343 106,1344 256.046,1345 113.737,1346 251.877,1347 346.36,1348 236,1349 124,1350 255.622,1351 131.157,1352 262.367,1353 379.49,1354 246,1355 6.824} {0 CHEMBL103479,1 1.583,2 11.346,3 3.622,4 13.119,5 99.115,6 7.499,7 0.552,8 3.957,9 4.085,10 3.532,11 3.5,12 5.051,13 3.484,14 4.509,15 4.689,16 3.904,17 3.914,18 5.59,19 3.876,20 4.787,21 5.005,22 3.93,23 4.049,24 5.835,25 3.971,26 4.85,27 5.105,28 3.803,29 3.99,30 5.857,31 3.883,32 4.732,33 4.998,34 3.722,35 3.854,36 5.69,37 3.76,38 4.565,39 4.8,40 3.705,41 3.773,42 5.752,43 3.701,44 4.49,45 4.718,46 3.59,47 3.733,48 5.523,49 3.644,50 4.483,51 4.736,52 3.467,53 3.638,54 5.529,55 3.538,56 0.034,57 0.787,58 9.439,59 4.158,60 6.692,61 5.472,62 0.2,63 1.279,64 18.248,65 7.068,66 21.154,67 9.61,68 0.27,69 1.559,70 26.076,71 9.674,72 43.032,73 13.173,74 0.384,75 1.492,76 29.661,77 10.044,78 59.306,79 14.3,80 0.33,81 1.291,82 26.672,83 8.585,84 45.579,85 12.582,86 0.504,87 1.2,88 21.664,89 6.841,90 66.752,91 9.863,92 0.221,93 1.105,94 19.528,95 7.099,96 31.185,97 9.959,98 0.351,99 1.059,100 20.576,101 6.808,102 44.863,103 9.622,104 10,105 41,106 0.269,107 0.64,108 0.784,109 0.826,110 0.826,111 0.826,112 3.304,113 0.914,114 -4.34,115 -4.28,116 -4.04,119 42.6,121 2,122 1,124 1,125 2,140 6,141 2,142 1,144 1,145 1,149 1,150 1,156 1,169 8,172 5,174 2,176 4,178 7,182 5,184 1,186 5,189 3,192 1,193 7,197 5,199 3,203 3,207 1,208 1,211 6,214 1,215 3,218 1,220 2,222 7,226 2,229 1,231 1,233 5,237 3,240 1,242 2,244 6,254 2,256 6,259 968,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 15.629,266 20.514,267 10.251,268 17.92,269 14.303,270 14.303,271 14.303,272 14.303,273 14.303,274 11.279,275 25.416,276 4.898,277 14.828,278 3.972,279 1.791,280 0.942,281 0.697,282 0.697,283 0.697,284 4.002,287 1,288 1,289 1,290 646,291 2.828,294 59.335,295 232.544,298 105.574,302 1.68,303 27.243,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.5,315 295,316 4.587,317 3.574,318 6.719,319 4.15,320 3.174,321 4.52,322 1.058,323 10.946,324 3.1,325 4.193,326 3.295,327 6.057,328 3.836,329 2.839,330 3.763,331 0.8,332 8.718,333 2.827,334 3.82,335 2.885,336 5.772,337 3.561,338 2.595,339 3.214,341 7.868,342 2.509,343 3.667,344 2.782,345 5.262,346 3.308,347 2.367,348 2.974,350 6.675,351 2.22,352 3.5,353 2.536,354 5.034,355 3.152,356 2.207,357 2.798,359 6.012,360 2.071,361 3.295,362 2.243,363 4.997,364 3.011,365 2.065,366 2.391,368 5.916,369 1.942,370 2.856,371 1.96,372 4.547,373 2.471,374 1.502,375 1.965,377 4.361,378 1.453,379 2.775,380 1.522,381 4.06,382 2.283,383 1.296,384 1.798,386 3.407,387 1.262,388 2.543,389 1.18,390 3.933,391 2.08,392 1.115,393 1.547,395 2.953,396 1.071,397 2.5,398 1.077,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.041,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.753,417 3.241,418 1.583,419 0.622,420 0.86,422 1.52,423 0.595,424 1.22,425 0.497,426 2.787,427 0.892,428 -0.057,429 -0.067,431 -0.138,432 -0.053,433 1.113,434 0.334,435 2.486,436 0.716,437 -0.221,438 -0.251,440 -0.489,441 -0.204,442 0.841,443 -0.03,444 2.267,445 0.614,446 -0.361,447 -0.467,449 -0.849,450 -0.342,451 12.219,452 0.47,453 0.661,454 0.025,455 33.25,456 1.279,457 16,458 0.615,459 17.25,460 0.663,461 20.665,462 0.795,463 27.981,464 0.595,465 23.987,466 0.923,467 6.496,468 0.25,469 6.101,470 0.235,471 0.092,473 0.36,477 1,479 0.666,480 1.192,481 0.756,482 1.055,483 0.518,484 0.942,485 0.695,486 1.024,487 0.845,488 0.979,489 0.493,490 0.939,491 0.899,492 1.08,493 1.005,494 1.11,495 0.8,496 1.082,497 0.859,498 0.926,499 0.977,500 1.001,501 0.819,502 1.006,503 0.776,504 0.812,505 0.839,506 0.857,507 0.722,508 0.853,509 0.731,510 0.733,511 0.98,512 0.862,513 0.58,514 0.932,515 0.741,516 1.004,517 0.976,518 1.094,519 0.696,520 1.078,521 0.9,522 0.734,523 0.997,524 0.884,525 0.896,526 0.942,527 5.5,528 0.104,529 3.333,530 1.507,531 1.383,532 0.782,533 0.454,534 0.466,535 0.3,536 0.136,537 8422,538 21994,539 2.124,540 44.7,541 1,542 13,543 1,545 2,547 4,550 1.689,551 2,552 3.474,553 0.251,555 1,559 74.388,560 1.583,561 3.764,562 4.613,563 4.858,564 4.858,565 4.858,566 2.917,567 3.95,568 4.67,569 3.586,570 1165.32,571 8.086,572 14530.1,574 1,576 1,577 261.066,578 1.37,579 4.637,580 0.19,581 0.006,582 0.081,583 0.038,584 0.041,585 0.024,586 0.015,587 0.017,588 0.013,589 0.006,590 0.43,591 0.33,592 1,593 0.54,594 127.614,595 -0.045,596 -0.123,597 0.045,598 -0.018,599 -0.022,600 0.023,601 0.023,602 -0.011,603 0.027,604 0.012,605 0.079,606 0.019,607 -0.056,608 -0.103,609 -0.074,610 -0.119,611 0.01,612 -0.103,613 -0.023,614 -0.064,615 -0.003,616 -0.039,617 0.006,618 -0.02,619 -0.01,620 -0.03,621 0.141,622 0.078,623 -0.003,624 0.128,625 0.165,626 0.199,627 -0.021,628 0.06,629 0.197,630 0.003,631 0.01,632 -0.095,633 -0.048,634 -0.113,635 -0.005,636 -0.094,637 0.003,638 0.137,639 -0.016,640 0.065,641 -0.005,642 0.03,643 2.031,644 5.336,645 0.808,646 23.42,647 1.004,648 1.134,649 3.113,650 9.692,651 0.665,652 3.401,653 3.738,654 4.007,655 4.263,656 4.511,657 4.585,658 4.691,659 4.844,660 4.905,661 4.963,662 6.423,663 0.637,664 352.45,665 3.401,666 4.949,667 5.802,668 6.681,669 7.552,670 8.436,671 9.315,672 10.202,673 11.086,674 11.976,675 8.5,678 1,682 1,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,702 1,713 1,714 47,716 17,717 1,718 29,720 50,721 20,722 13,723 2,724 4,725 1,730 4,731 5,740 2,741 1,743 2,745 14,746 6,747 1,750 1,755 1,759 1,760 1,761 1,762 1,764 21,765 5,766 2,767 6,773 4,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 26,833 4,834 1,837 1,838 1,846 1,847 2.1,850 1,854 13,855 8.626,856 5.611,857 2.869,858 3.019,859 1.399,860 1.016,861 4.644,862 10.583,863 3.664,864 4.273,865 4.867,866 5.457,867 5.98,868 6.283,869 6.649,870 7.043,871 7.199,872 7.523,873 0.875,874 40,875 9.654,877 4.197,878 7.808,879 18.492,881 15.585,883 2.308,884 60,887 1,888 223.651,889 110.395,890 54.706,892 25.145,893 14.96,895 110.395,896 248.796,897 69.666,898 8.396,899 27.291,900 65.905,901 46.635,902 37.546,903 31.203,904 211.88,906 223.651,907 165.101,908 40.105,911 191.527,912 72.229,915 49.345,916 98.97,917 16.786,919 238.611,920 79.851,921 110.395,924 223.651,925 36.093,926 77.426,927 34.796,928 56.891,929 223.651,930 94.811,931 110.395,933 0.588,934 0.339,935 0.176,936 0.101,937 21,938 9,939 0.06,940 3,941 1,942 1.095,943 3.856,944 221.096,945 0.095,946 21,947 114.211,951 17.046,952 7.083,953 3.614,954 1.884,955 78.026,956 11.22,957 4.662,958 3.285,961 1.751,963 34.796,964 428.857,965 38,970 12.336,974 -0.298,975 47.2,976 53.279,977 0.285,978 0.678,979 0.83,980 0.875,981 0.875,982 0.875,983 4.905,984 1.296,985 5.79,986 4.361,987 4.419,988 4.959,989 1.435,990 6.592,991 4.353,992 6.109,993 1.115,994 7.344,995 3.407,996 4.007,997 4.783,998 0.325,999 7.466,1000 3.906,1001 7.415,1002 1,1003 8.994,1004 2.953,1005 6.009,1006 7.172,1007 1.379,1008 10.552,1009 5.89,1010 8.756,1011 1,1012 10.701,1013 2.275,1014 6.399,1015 7.849,1016 0.268,1017 12.275,1018 6.26,1019 10.129,1020 0.622,1021 12.445,1022 2.275,1023 7.874,1024 9.717,1025 1.406,1026 14.886,1027 7.716,1028 11.526,1029 -0.057,1030 14.216,1031 1.52,1032 8.638,1033 10.809,1034 0.188,1035 16.977,1036 8.468,1037 12.943,1038 -0.221,1039 16.008,1040 -0.138,1041 9.899,1042 12.461,1043 1.462,1044 19.431,1045 9.71,1046 3.174,1047 -0.361,1048 17.816,1049 -0.489,1050 10.85,1051 13.762,1052 0.125,1053 21.688,1054 10.648,1055 2.839,1056 10.946,1057 19.638,1058 -0.849,1059 12.024,1060 15.322,1061 1.533,1062 24.091,1063 11.803,1064 2.595,1065 8.718,1066 21.472,1067 4.52,1068 13.067,1069 16.727,1070 0.082,1071 26.42,1072 12.831,1073 2.367,1074 7.868,1075 23.314,1076 3.763,1077 14.209,1078 18.249,1079 1.613,1080 28.808,1081 13.953,1082 2.207,1083 6.675,1084 25.165,1085 3.214,1086 15.299,1087 19.705,1088 0.054,1089 31.17,1090 15.024,1091 2.065,1092 6.012,1093 27.023,1094 2.974,1095 16.433,1096 21.213,1097 1.698,1098 33.556,1099 16.137,1100 1.502,1101 5.916,1102 28.887,1103 2.798,1104 17.546,1105 22.694,1106 0.035,1107 35.933,1108 17.23,1109 7956,1110 13043,1111 19.592,1112 31.267,1113 44.103,1114 44.915,1115 45.037,1116 43.665,1117 43.564,1118 56.664,1119 3.717,1120 125.856,1121 42.065,1122 5.587,1123 5.574,1124 6.133,1125 5.211,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.1,1131 11.599,1132 1.521,1133 1.549,1134 1.553,1135 1.506,1136 1.502,1137 1.954,1138 0.128,1139 4.34,1140 1.451,1141 4.133,1142 4.175,1143 4.095,1144 4.019,1145 8.201,1146 4.033,1147 3.92,1148 3.945,1149 3.875,1150 3.842,1151 7.429,1152 3.845,1153 3.805,1154 3.873,1155 3.685,1156 3.652,1157 5.039,1158 3.651,1159 3.487,1160 3.545,1161 3.426,1162 3.296,1163 4.603,1164 3.315,1165 3.26,1166 3.331,1167 3.17,1168 3.052,1169 4.419,1170 3.076,1171 3.143,1172 3.206,1173 2.995,1174 2.941,1175 4.317,1176 2.932,1177 3.111,1178 3.2,1179 2.866,1180 2.931,1181 3.913,1182 2.91,1183 2.854,1184 2.925,1185 2.719,1186 2.735,1187 3.711,1188 2.715,1189 0.158,1190 0.123,1191 0.232,1192 0.143,1193 0.109,1194 4.587,1195 0.156,1196 3.574,1197 0.036,1198 6.719,1199 0.377,1200 4.15,1201 0.107,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.1,1207 1.928,1208 1.897,1209 2.068,1210 2.06,1211 1.436,1212 2.061,1213 1.884,1214 1.855,1215 1.994,1216 2.009,1217 1.069,1218 2.007,1219 1.801,1220 1.749,1221 1.916,1222 1.952,1223 1.016,1224 1.947,1225 1.453,1226 1.385,1227 1.659,1228 1.685,1229 0.825,1230 1.677,1231 1.246,1232 1.201,1233 1.513,1234 1.518,1235 0.807,1236 1.505,1237 1.153,1238 1.064,1239 1.493,1240 1.383,1241 0.558,1242 1.429,1243 1.126,1244 1.042,1245 1.316,1246 1.376,1247 0.374,1248 1.381,1249 0.919,1250 0.871,1251 1.181,1252 1.112,1253 0.26,1254 1.13,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.528,1262 6.843,1263 10.173,1265 2.146,1267 13.011,1271 4.38,1272 2.802,1275 0.482,1276 2.34,1280 29.925,1281 74.388,1282 176.885,1283 216.801,1284 228.311,1285 228.311,1286 228.311,1287 44.439,1288 7.564,1289 61.02,1290 61.02,1291 23,1292 12.506,1293 4.17,1294 3.322,1295 38.116,1296 101,1297 104,1298 0.187,1299 181.996,1300 310.16,1301 435.831,1302 20221,1303 2.1,1304 18.096,1305 0.696,1306 0.563,1307 17.225,1308 14.628,1309 12.597,1310 0.434,1311 0.305,1312 8.71,1313 12.11,1314 8.522,1315 7.039,1316 12.204,1317 8.835,1318 11.597,1319 0.283,1320 0.168,1321 10.975,1322 6.875,1323 9.814,1324 0.182,1325 0.094,1326 9.403,1327 5.058,1328 7.949,1329 0.114,1330 0.05,1331 7.797,1332 3.51,1333 6.608,1334 0.073,1335 0.028,1336 6.397,1337 2.545,1338 0.294,1339 78.995,1340 0.226,1341 25.189,1342 0.509,1343 140,1344 429.803,1345 153.677,1346 394.091,1347 533.48,1348 368,1349 165,1350 389.773,1351 178.424,1352 390.988,1353 571.77,1354 368,1355 6.137} {0 CHEMBL103503,1 1.583,2 11.346,3 3.194,4 10.198,5 99.487,6 7.499,7 0.552,8 3.957,9 4.085,10 3.532,11 3.5,12 5.053,13 3.484,14 4.509,15 4.69,16 3.901,17 3.919,18 5.586,19 3.879,20 4.785,21 5,22 3.925,23 4.066,24 5.826,25 3.983,26 4.861,27 5.113,28 3.806,29 4.012,30 5.861,31 3.898,32 4.75,33 5.018,34 3.717,35 3.88,36 5.682,37 3.775,38 4.599,39 4.838,40 3.71,41 3.789,42 5.761,43 3.709,44 4.519,45 4.763,46 3.595,47 3.708,48 5.551,49 3.627,50 4.435,51 4.679,52 3.469,53 3.602,54 5.521,55 3.515,56 0.034,57 0.787,58 9.439,59 4.158,60 6.912,61 5.472,62 0.209,63 1.278,64 18.275,65 7.082,66 21.662,67 9.607,68 0.265,69 1.557,70 25.862,71 9.885,72 41.664,73 13.345,74 0.356,75 1.506,76 29.797,77 10.486,78 57.664,79 14.842,80 0.313,81 1.299,82 27.215,83 9.178,84 45.004,85 13.359,86 0.465,87 1.223,88 22.508,89 7.245,90 66.363,91 10.541,92 0.281,93 1.124,94 20.713,95 6.729,96 35.696,97 9.702,98 0.368,99 1.033,100 19.386,101 6.293,102 43.646,103 8.809,104 10,105 41,106 0.269,107 0.654,108 0.798,109 0.826,110 0.826,111 0.826,112 3.304,113 0.913,114 -4.34,115 -4.28,116 -4.04,119 42.6,121 2,122 1,124 1,125 2,140 5,141 3,142 1,143 1,145 1,149 1,150 1,156 1,169 9,172 4,174 2,176 4,178 9,182 4,184 1,186 5,189 5,192 1,193 6,197 5,199 3,203 5,207 1,208 1,211 3,215 6,218 1,220 2,222 5,226 1,229 1,231 1,233 5,236 1,237 2,240 1,242 2,244 6,254 2,256 6,259 968,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 15.629,266 20.514,267 10.251,268 17.926,269 14.303,270 14.303,271 14.303,272 14.303,273 14.303,274 11.279,275 25.416,276 4.898,277 14.823,278 3.972,279 1.708,280 0.859,281 0.697,282 0.697,283 0.697,284 4.002,287 1,288 1,289 1,290 646,291 2.828,294 59.335,295 232.544,298 105.574,302 1.68,303 26.623,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.5,315 295,316 4.587,317 3.574,318 6.719,319 4.16,320 3.174,321 4.52,322 1.058,323 10.946,324 3.13,325 4.193,326 3.295,327 6.057,328 3.836,329 2.839,330 3.763,331 0.8,332 8.718,333 2.826,334 3.82,335 2.885,336 5.772,337 3.562,338 2.595,339 3.214,341 7.868,342 2.511,343 3.667,344 2.782,345 5.262,346 3.306,347 2.367,348 2.974,350 6.675,351 2.214,352 3.5,353 2.536,354 5.034,355 3.148,356 2.207,357 2.798,359 6.012,360 2.063,361 3.295,362 2.243,363 4.997,364 3.011,365 2.065,366 2.391,368 5.916,369 1.944,370 2.856,371 1.96,372 4.547,373 2.471,374 1.502,375 1.965,377 4.361,378 1.452,379 2.775,380 1.522,381 4.06,382 2.285,383 1.296,384 1.798,386 3.407,387 1.266,388 2.543,389 1.18,390 3.933,391 2.084,392 1.115,393 1.547,395 2.953,396 1.075,397 2.5,398 1.077,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.041,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.753,417 3.241,418 1.559,419 0.622,420 0.86,422 1.52,423 0.581,424 1.22,425 0.497,426 2.787,427 0.894,428 -0.057,429 -0.067,431 -0.138,432 -0.053,433 1.113,434 0.334,435 2.486,436 0.72,437 -0.221,438 -0.251,440 -0.489,441 -0.204,442 0.841,443 -0.03,444 2.267,445 0.621,446 -0.361,447 -0.467,449 -0.849,450 -0.346,451 12.219,452 0.47,453 0.661,454 0.025,455 33.25,456 1.279,457 16,458 0.615,459 17.25,460 0.663,461 20.695,462 0.796,463 27.981,464 0.595,465 23.957,466 0.921,467 6.495,468 0.25,469 6.102,470 0.235,471 0.092,473 0.36,477 1,479 0.666,480 1.192,481 0.756,482 1.055,483 0.514,484 0.942,485 0.705,486 0.982,487 0.852,488 0.95,489 0.496,490 0.923,491 0.88,492 1.048,493 1.018,494 1.115,495 0.795,496 1.097,497 0.799,498 0.958,499 0.972,500 1.061,501 0.787,502 1.053,503 0.691,504 0.797,505 0.799,506 0.875,507 0.675,508 0.86,509 0.676,510 0.831,511 0.938,512 0.929,513 0.54,514 0.962,515 0.852,516 0.934,517 0.974,518 0.954,519 0.729,520 0.965,521 0.964,522 0.717,523 1.045,524 0.88,525 0.966,526 0.954,527 5.5,528 0.104,529 3.333,530 1.507,531 1.383,532 0.782,533 0.454,534 0.466,535 0.3,536 0.136,537 8422,538 22088,539 2.124,540 44.7,541 1,542 12,543 1,544 1,545 2,547 4,550 1.689,551 2,552 3.474,553 0.251,554 1,555 1,559 74.388,560 1.583,561 3.846,562 4.696,563 4.858,564 4.858,565 4.858,566 2.917,567 3.95,568 4.67,569 3.586,570 1165.32,571 8.086,572 14530.1,574 1,576 1,577 261.066,578 1.37,579 4.637,580 0.19,581 0.006,582 0.081,583 0.038,584 0.041,585 0.024,586 0.015,587 0.017,588 0.013,589 0.006,590 0.43,591 0.33,592 1,593 0.54,594 127.614,595 -0.045,596 -0.123,597 0.045,598 -0.018,599 -0.018,600 0.023,601 0.013,602 0.032,603 0.019,604 0.043,605 0.077,606 0.036,607 -0.058,608 -0.07,609 -0.095,610 -0.112,611 0.006,612 -0.11,614 -0.105,615 -0.007,616 -0.084,617 0.018,618 -0.054,619 0.025,620 -0.034,621 0.175,622 0.081,623 0.019,624 0.142,625 0.173,626 0.073,627 0.021,628 0.006,629 0.207,630 -0.008,631 -0.032,632 -0.026,633 -0.015,634 -0.016,635 -0.021,636 -0.007,637 0.002,638 0.187,639 -0.065,640 0.054,641 -0.027,642 -0.005,643 2.031,644 5.336,645 0.808,646 23.42,647 1.004,648 1.134,649 3.113,650 9.692,651 0.665,652 3.401,653 3.738,654 4.007,655 4.263,656 4.511,657 4.585,658 4.691,659 4.844,660 4.905,661 4.963,662 6.423,663 0.637,664 352.45,665 3.401,666 4.949,667 5.802,668 6.681,669 7.552,670 8.436,671 9.315,672 10.202,673 11.086,674 11.976,675 8.5,678 1,682 1,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,702 1,713 1,714 47,716 17,717 1,718 29,720 50,721 20,722 13,723 2,724 4,725 1,730 4,731 5,740 2,741 1,743 2,745 14,746 6,747 1,750 1,755 1,759 1,760 1,761 1,762 1,764 21,765 5,766 2,767 6,773 4,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 26,833 4,834 1,837 1,838 1,846 1,847 2.1,850 1,854 13,855 8.626,856 5.611,857 2.858,858 3.019,859 1.399,860 1.016,861 4.644,862 10.583,863 3.664,864 4.273,865 4.867,866 5.457,867 5.98,868 6.283,869 6.649,870 7.043,871 7.199,872 7.523,873 0.875,874 40,875 9.649,877 4.191,878 7.808,879 18.492,881 15.594,883 2.308,884 60,887 1,888 223.651,889 110.395,890 54.706,892 25.145,893 14.96,895 110.395,896 248.796,897 69.666,898 8.396,899 27.291,900 56.429,901 58.406,902 47.022,903 31.203,904 200.109,906 223.651,907 165.101,908 40.105,911 191.527,912 72.229,915 56.248,916 92.067,917 16.786,919 238.611,920 79.851,921 110.395,924 223.651,925 36.522,926 76.997,927 34.796,928 56.891,929 223.651,930 94.811,931 110.395,933 0.588,934 0.339,935 0.176,936 0.101,937 21,938 9,939 0.06,940 3,941 1,942 1.095,943 3.856,944 221.096,945 0.095,946 21,947 114.211,951 17.046,952 7.083,953 3.614,954 2.072,955 78.026,956 11.196,957 4.315,958 3.285,961 1.822,963 34.796,964 428.857,965 38,970 12.336,974 -0.298,975 47.2,976 53.279,977 0.285,978 0.692,979 0.845,980 0.875,981 0.875,982 0.875,983 4.905,984 1.296,985 5.79,986 4.361,987 4.419,988 4.959,989 1.435,990 6.592,991 4.355,992 6.109,993 1.115,994 7.344,995 3.407,996 4.007,997 4.783,998 0.325,999 7.466,1000 3.918,1001 7.415,1002 1,1003 8.994,1004 2.953,1005 6.009,1006 7.172,1007 1.379,1008 10.552,1009 5.9,1010 8.756,1011 1,1012 10.701,1013 2.275,1014 6.399,1015 7.849,1016 0.268,1017 12.275,1018 6.283,1019 10.129,1020 0.622,1021 12.445,1022 2.275,1023 7.874,1024 9.717,1025 1.406,1026 14.886,1027 7.74,1028 11.526,1029 -0.057,1030 14.216,1031 1.52,1032 8.638,1033 10.809,1034 0.188,1035 16.977,1036 8.506,1037 12.943,1038 -0.221,1039 16.008,1040 -0.138,1041 9.899,1042 12.461,1043 1.462,1044 19.431,1045 9.752,1046 3.174,1047 -0.361,1048 17.816,1049 -0.489,1050 10.85,1051 13.762,1052 0.125,1053 21.688,1054 10.704,1055 2.839,1056 10.946,1057 19.638,1058 -0.849,1059 12.024,1060 15.322,1061 1.533,1062 24.091,1063 11.865,1064 2.595,1065 8.718,1066 21.472,1067 4.52,1068 13.067,1069 16.727,1070 0.082,1071 26.42,1072 12.905,1073 2.367,1074 7.868,1075 23.314,1076 3.763,1077 14.209,1078 18.249,1079 1.613,1080 28.808,1081 14.036,1082 2.207,1083 6.675,1084 25.165,1085 3.214,1086 15.299,1087 19.705,1088 0.054,1089 31.17,1090 15.119,1091 2.065,1092 6.012,1093 27.023,1094 2.974,1095 16.433,1096 21.213,1097 1.698,1098 33.556,1099 16.241,1100 1.502,1101 5.916,1102 28.887,1103 2.798,1104 17.546,1105 22.694,1106 0.035,1107 35.933,1108 17.346,1109 7956,1110 13075,1111 19.592,1112 31.267,1113 44.103,1114 44.915,1115 45.037,1116 43.64,1117 43.564,1118 56.664,1119 3.717,1120 125.856,1121 42.09,1122 5.587,1123 5.574,1124 6.133,1125 5.212,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.13,1131 11.599,1132 1.521,1133 1.549,1134 1.553,1135 1.505,1136 1.502,1137 1.954,1138 0.128,1139 4.34,1140 1.451,1141 4.139,1142 4.177,1143 4.099,1144 4.037,1145 8.201,1146 4.047,1147 3.92,1148 3.944,1149 3.875,1150 3.842,1151 7.429,1152 3.845,1153 3.803,1154 3.872,1155 3.683,1156 3.645,1157 5.029,1158 3.645,1159 3.474,1160 3.535,1161 3.42,1162 3.246,1163 4.603,1164 3.279,1165 3.25,1166 3.329,1167 3.153,1168 3.038,1169 4.475,1170 3.053,1171 3.129,1172 3.206,1173 3.003,1174 2.941,1175 4.32,1176 2.926,1177 3.111,1178 3.181,1179 2.866,1180 2.911,1181 3.89,1182 2.91,1183 2.884,1184 2.958,1185 2.738,1186 2.735,1187 3.724,1188 2.723,1189 0.158,1190 0.123,1191 0.232,1192 0.143,1193 0.109,1194 4.587,1195 0.156,1196 3.574,1197 0.036,1198 6.719,1199 0.377,1200 4.16,1201 0.108,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.13,1207 1.939,1208 1.909,1209 2.075,1210 2.061,1211 1.441,1212 2.065,1213 1.886,1214 1.861,1215 1.993,1216 2.008,1217 1.075,1218 2.005,1219 1.789,1220 1.735,1221 1.907,1222 1.95,1223 1.037,1224 1.943,1225 1.461,1226 1.391,1227 1.661,1228 1.69,1229 0.825,1230 1.684,1231 1.243,1232 1.196,1233 1.513,1234 1.517,1235 0.786,1236 1.505,1237 1.153,1238 1.064,1239 1.508,1240 1.387,1241 0.572,1242 1.429,1243 1.132,1244 1.051,1245 1.31,1246 1.376,1247 0.366,1248 1.384,1249 0.886,1250 0.821,1251 1.181,1252 1.066,1253 0.254,1254 1.107,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.528,1262 6.843,1263 10.173,1265 2.151,1267 13.011,1271 4.444,1272 2.802,1275 0.517,1276 2.348,1280 29.925,1281 74.388,1282 180.785,1283 220.701,1284 228.311,1285 228.311,1286 228.311,1287 44.095,1288 7.564,1289 61.02,1290 61.02,1291 23,1292 12.506,1293 4.17,1294 3.322,1295 38.116,1296 101,1297 104,1298 0.187,1299 181.996,1300 310.16,1301 435.831,1302 20221,1303 2.1,1304 18.096,1305 0.696,1306 0.563,1307 17.225,1308 14.628,1309 12.597,1310 0.434,1311 0.304,1312 8.698,1313 12.103,1314 8.508,1315 7.028,1316 12.204,1317 8.824,1318 11.597,1319 0.283,1320 0.168,1321 10.975,1322 6.898,1323 9.814,1324 0.182,1325 0.095,1326 9.403,1327 5.105,1328 7.949,1329 0.114,1330 0.051,1331 7.797,1332 3.558,1333 6.608,1334 0.073,1335 0.029,1336 6.397,1337 2.581,1338 0.294,1339 79.041,1340 0.226,1341 25.189,1342 0.509,1343 140,1344 429.803,1345 153.344,1346 394.177,1347 532.52,1348 368,1349 165,1350 387.42,1351 177.924,1352 389.442,1353 567.95,1354 366,1355 7.276} {0 CHEMBL103550,1 1.583,2 10.769,3 3.622,4 13.119,5 99.115,6 7.499,7 0.552,8 3.957,9 4.085,10 3.532,11 3.5,12 5.051,13 3.484,14 4.509,15 4.689,16 3.904,17 3.914,18 5.59,19 3.876,20 4.787,21 5.005,22 3.93,23 4.049,24 5.827,25 3.971,26 4.85,27 5.105,28 3.833,29 3.989,30 5.868,31 3.889,32 4.743,33 5.004,34 3.778,35 3.854,36 5.886,37 3.767,38 4.562,39 4.799,40 3.651,41 3.772,42 5.585,43 3.699,44 4.492,45 4.718,46 3.634,47 3.732,48 5.587,49 3.649,50 4.487,51 4.739,52 3.463,53 3.636,54 5.52,55 3.544,56 0.034,57 0.787,58 9.439,59 4.158,60 6.692,61 5.472,62 0.2,63 1.279,64 18.248,65 7.068,66 21.203,67 9.61,68 0.27,69 1.559,70 26.076,71 9.674,72 41.91,73 13.173,74 0.362,75 1.512,76 29.593,77 10.048,78 55.348,79 14.303,80 0.538,81 1.35,82 27.262,83 8.598,84 84.055,85 12.506,86 0.344,87 1.191,88 21.525,89 6.864,90 37.299,91 9.668,92 0.258,93 1.133,94 19.528,95 7.083,96 35.587,97 10.051,98 0.316,99 1.076,100 20.732,101 6.844,102 42.154,103 9.399,104 10,105 41,106 0.269,107 0.64,108 0.799,109 0.855,110 0.855,111 0.855,112 3.304,113 0.914,114 -4.34,115 -4.28,116 -4.04,119 42.6,121 2,122 1,124 1,125 2,140 6,141 2,142 1,144 1,145 1,149 1,150 1,156 1,169 8,172 5,174 2,176 4,178 7,182 5,184 1,186 5,189 3,192 1,193 6,197 4,199 3,203 4,207 1,208 2,211 6,214 1,215 2,218 1,220 2,222 6,226 3,229 1,231 1,233 5,237 3,240 1,242 2,244 6,254 1,256 6,259 956,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 15.629,266 20.514,267 10.287,268 17.92,269 14.319,270 14.319,271 14.319,272 14.319,273 14.319,274 11.285,275 25.416,276 4.917,277 14.84,278 3.972,279 1.791,280 0.857,281 0.527,282 0.527,283 0.527,284 4.002,287 1,288 1,289 1,290 612,291 2.828,294 58.722,295 231.192,298 104.41,302 1.71,303 27.703,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.5,315 280,316 4.587,317 3.578,318 6.719,319 4.15,320 3.174,321 4.52,322 1.058,323 10.946,324 3.1,325 4.214,326 3.295,327 6.081,328 3.853,329 2.858,330 3.794,331 0.8,332 8.822,333 2.839,334 3.819,335 2.887,336 5.773,337 3.564,338 2.598,339 3.206,341 7.878,342 2.51,343 3.64,344 2.781,345 5.278,346 3.3,347 2.36,348 2.917,350 6.736,351 2.212,352 3.463,353 2.535,354 5.034,355 3.122,356 2.176,357 2.762,359 6.007,360 2.046,361 3.293,362 2.24,363 4.952,364 2.984,365 2.035,366 2.39,368 5.742,369 1.92,370 2.856,371 1.9,372 4.547,373 2.471,374 1.502,375 1.968,377 4.36,378 1.453,379 2.81,380 1.522,381 4.026,382 2.324,383 1.341,384 1.899,386 3.342,387 1.303,388 2.576,389 1.193,390 3.919,391 2.11,392 1.153,393 1.595,395 2.962,396 1.101,397 2.515,398 1.179,399 3.466,400 2.02,401 1.015,402 1.476,404 2.452,405 1.015,406 2.04,407 1.077,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.749,417 3.239,418 1.579,419 0.616,420 0.856,422 1.509,423 0.591,424 1.216,425 0.418,426 2.774,427 0.875,428 -0.093,429 -0.109,431 -0.224,432 -0.09,433 0.944,434 0.191,435 2.486,436 0.664,437 -0.3,438 -0.349,440 -0.737,441 -0.287,442 0.842,443 -0.024,444 2.265,445 0.498,446 -0.408,447 -0.515,449 -0.911,450 -0.353,451 12.219,452 0.47,453 0.661,454 0.025,455 33.25,456 1.279,457 16,458 0.615,459 17.25,460 0.663,461 20.734,462 0.797,463 27.981,464 0.595,465 24.075,466 0.926,467 6.496,468 0.25,469 6.101,470 0.235,471 0.092,473 0.36,477 1,479 0.666,480 1.192,481 0.756,482 1.055,483 0.518,484 0.942,485 0.695,486 1.024,487 0.845,488 0.979,489 0.493,490 0.939,491 0.899,492 1.08,493 1.005,494 1.11,495 0.813,496 1.082,497 0.836,498 0.96,499 0.934,500 1.004,501 0.796,502 0.988,503 0.762,504 0.82,505 0.843,506 0.856,507 0.717,508 0.858,509 1.016,510 0.798,511 1.071,512 0.865,513 0.873,514 0.939,515 0.621,516 0.984,517 0.903,518 1.096,519 0.588,520 1.061,521 1.132,522 0.845,523 1.06,524 0.887,525 1.113,526 0.94,527 5.5,528 0.103,529 3.111,530 1.632,531 1.463,532 0.671,533 0.496,534 0.435,535 0.272,536 0.161,537 8334,538 21466,539 2.124,540 44.7,541 1,542 13,543 1,545 2,547 4,550 1.69,551 2,552 3.423,553 0.251,555 1,559 74.388,560 1.583,561 3.764,562 4.698,563 5.028,564 5.028,565 5.028,566 2.921,567 4.104,568 4.672,569 3.556,570 1155.62,571 8.091,572 14385.2,574 1,576 1,577 261.066,578 1.37,579 4.637,580 0.19,581 0.006,582 0.076,583 0.041,584 0.042,585 0.02,586 0.017,587 0.015,588 0.011,589 0.008,590 0.425,591 0.33,592 1,593 0.54,594 127.363,595 -0.045,596 -0.123,597 0.045,598 -0.018,599 -0.022,600 0.023,601 0.023,602 -0.011,603 0.027,604 0.012,605 0.08,606 0.019,607 -0.056,608 -0.103,609 -0.074,610 -0.119,611 -0.003,612 -0.103,614 -0.099,615 0.041,616 -0.042,617 0.03,618 -0.001,619 0.174,620 0.053,621 0.159,622 0.084,623 0.2,624 0.113,625 -0.126,626 0.132,627 -0.113,628 0.058,629 -0.102,630 -0.004,631 0.133,632 -0.075,633 0.027,634 -0.115,635 0.105,636 -0.076,637 -0.124,638 0.083,639 -0.065,640 0.065,641 -0.099,642 0.025,643 2.101,644 5.332,645 0.808,646 22.923,647 1.004,648 1.134,649 3.113,650 9.692,651 0.665,652 3.401,653 3.738,654 4.007,655 4.277,656 4.511,657 4.564,658 4.71,659 4.836,660 4.913,661 4.977,662 6.336,663 0.637,664 352.45,665 3.401,666 4.949,667 5.802,668 6.683,669 7.554,670 8.44,671 9.319,672 10.207,673 11.091,674 11.982,675 8.5,678 1,682 1,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,702 1,713 1,714 47,716 17,717 1,718 29,720 50,721 20,722 13,723 2,724 4,725 1,730 4,731 5,740 2,741 1,743 2,745 14,746 6,747 1,750 1,755 1,759 1,760 1,761 1,762 1,764 21,765 5,766 2,767 6,773 4,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 26,833 4,834 1,837 1,838 1,846 1,847 2.1,850 1,854 13,855 8.626,856 5.611,857 2.869,858 3.028,859 1.4,860 1.016,861 4.644,862 10.593,863 3.664,864 4.273,865 4.867,866 5.466,867 5.98,868 6.259,869 6.668,870 7.039,871 7.204,872 7.533,873 1,874 40,875 9.664,877 4.209,878 7.808,879 18.492,881 15.585,883 2.308,884 60,887 1,888 223.651,889 110.395,890 54.706,892 25.145,893 14.96,895 110.395,896 248.796,897 69.666,898 8.396,899 27.291,900 65.905,901 46.635,902 37.546,903 31.203,904 211.88,906 223.651,907 165.101,908 40.105,911 191.527,912 72.229,915 49.345,916 98.97,917 16.786,919 238.611,920 79.851,921 110.395,924 223.651,925 36.093,926 77.426,927 34.796,928 56.891,929 223.651,930 94.811,931 110.395,933 0.587,934 0.339,935 0.181,936 0.102,937 21,938 9,939 0.06,940 3,941 1,942 1.095,943 3.843,944 221.799,945 0.095,946 21,947 118.211,951 17.046,952 7.083,953 3.614,954 1.86,955 78.026,956 11.341,957 4.647,958 3.278,961 1.517,963 34.796,964 428.857,965 38,970 12.332,974 -0.368,975 47.2,976 53.279,977 0.285,978 0.678,979 0.846,980 0.905,981 0.905,982 0.905,983 4.905,984 1.341,985 5.79,986 4.36,987 4.419,988 4.959,989 1.435,990 6.594,991 4.353,992 6.109,993 1.153,994 7.344,995 3.342,996 4.007,997 4.783,998 0.325,999 7.466,1000 3.906,1001 7.415,1002 1.015,1003 8.995,1004 2.962,1005 6.009,1006 7.172,1007 1.379,1008 10.563,1009 5.89,1010 8.756,1011 1,1012 10.702,1013 2.452,1014 6.399,1015 7.849,1016 0.268,1017 12.282,1018 6.26,1019 10.129,1020 0.616,1021 12.447,1022 2.275,1023 7.876,1024 9.719,1025 1.406,1026 14.9,1027 7.718,1028 11.527,1029 -0.093,1030 14.219,1031 1.509,1032 8.643,1033 10.813,1034 0.188,1035 16.989,1036 8.472,1037 12.944,1038 -0.3,1039 16.012,1040 -0.224,1041 9.906,1042 12.466,1043 1.462,1044 19.445,1045 9.716,1046 3.174,1047 -0.408,1048 17.822,1049 -0.737,1050 10.859,1051 13.769,1052 0.125,1053 21.7,1054 10.656,1055 2.858,1056 10.946,1057 19.645,1058 -0.911,1059 12.034,1060 15.329,1061 1.533,1062 24.103,1063 11.812,1064 2.598,1065 8.822,1066 21.479,1067 4.52,1068 13.079,1069 16.735,1070 0.082,1071 26.43,1072 12.841,1073 2.36,1074 7.878,1075 23.323,1076 3.794,1077 14.223,1078 18.257,1079 1.613,1080 28.818,1081 13.964,1082 2.176,1083 6.736,1084 25.174,1085 3.206,1086 15.313,1087 19.713,1088 0.054,1089 31.178,1090 15.036,1091 2.035,1092 6.007,1093 27.032,1094 2.917,1095 16.447,1096 21.221,1097 1.698,1098 33.564,1099 16.149,1100 1.502,1101 5.742,1102 28.896,1103 2.762,1104 17.561,1105 22.7,1106 0.035,1107 35.939,1108 17.242,1109 7874,1110 12825,1111 19.592,1112 31.267,1113 44.178,1114 44.799,1115 45.035,1116 43.75,1117 43.656,1118 56.767,1119 3.717,1120 126.066,1121 42.144,1122 5.587,1123 5.578,1124 6.271,1125 5.211,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.1,1131 11.492,1132 1.523,1133 1.545,1134 1.553,1135 1.509,1136 1.505,1137 1.957,1138 0.128,1139 4.347,1140 1.453,1141 4.133,1142 4.175,1143 4.095,1144 4.019,1145 8.201,1146 4.033,1147 3.921,1148 3.945,1149 3.876,1150 3.842,1151 7.429,1152 3.845,1153 3.805,1154 3.873,1155 3.685,1156 3.652,1157 5.039,1158 3.651,1159 3.485,1160 3.544,1161 3.421,1162 3.296,1163 4.609,1164 3.315,1165 3.257,1166 3.33,1167 3.159,1168 3.053,1169 4.42,1170 3.073,1171 3.139,1172 3.206,1173 2.991,1174 2.941,1175 4.318,1176 2.93,1177 3.111,1178 3.195,1179 2.866,1180 2.931,1181 3.913,1182 2.91,1183 2.896,1184 2.956,1185 2.802,1186 2.733,1187 3.712,1188 2.734,1189 0.158,1190 0.123,1191 0.232,1192 0.143,1193 0.109,1194 4.587,1195 0.156,1196 3.578,1197 0.036,1198 6.719,1199 0.377,1200 4.15,1201 0.107,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.1,1207 1.928,1208 1.897,1209 2.068,1210 2.06,1211 1.436,1212 2.061,1213 1.884,1214 1.855,1215 1.994,1216 2.009,1217 1.068,1218 2.007,1219 1.801,1220 1.749,1221 1.917,1222 1.952,1223 1.016,1224 1.947,1225 1.453,1226 1.385,1227 1.659,1228 1.685,1229 0.825,1230 1.677,1231 1.25,1232 1.203,1233 1.513,1234 1.518,1235 0.807,1236 1.506,1237 1.153,1238 1.064,1239 1.494,1240 1.383,1241 0.558,1242 1.429,1243 1.128,1244 1.043,1245 1.334,1246 1.376,1247 0.383,1248 1.384,1249 0.925,1250 0.874,1251 1.166,1252 1.112,1253 0.277,1254 1.134,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.53,1262 6.843,1263 10.177,1265 2.143,1267 13.316,1271 4.358,1272 2.766,1275 0.474,1276 2.337,1280 29.925,1281 74.388,1282 176.885,1283 220.801,1284 236.311,1285 236.311,1286 236.311,1287 45.214,1288 7.564,1289 61.02,1290 61.02,1291 23,1292 12.512,1293 4.17,1294 3.322,1295 38.085,1296 100,1297 97,1298 0.189,1299 181.996,1300 310.16,1301 435.831,1302 20221,1303 2.1,1304 18.096,1305 0.696,1306 0.563,1307 17.225,1308 14.628,1309 12.597,1310 0.434,1311 0.305,1312 8.71,1313 12.11,1314 8.521,1315 7.04,1316 12.204,1317 8.835,1318 11.609,1319 0.283,1320 0.168,1321 10.975,1322 6.879,1323 9.73,1324 0.18,1325 0.093,1326 9.403,1327 5.039,1328 8.092,1329 0.114,1330 0.05,1331 7.797,1332 3.538,1333 6.672,1334 0.074,1335 0.028,1336 6.397,1337 2.542,1338 0.296,1339 78.995,1340 0.226,1341 25.125,1342 0.517,1343 140,1344 429.803,1345 153.677,1346 394.156,1347 533.5,1348 368,1349 165,1350 389.773,1351 178.424,1352 391.125,1353 572.06,1354 368,1355 6.161} {0 CHEMBL104026,1 1.496,2 8.4,3 1.324,4 1.752,5 79.098,6 6.81,7 0.455,8 3.782,9 3.926,10 3.279,11 3.274,12 4.791,13 3.246,14 4.355,15 4.565,16 3.635,17 3.695,18 5.314,19 3.637,20 4.604,21 4.833,22 3.611,23 3.859,24 5.502,25 3.75,26 4.686,27 4.958,28 3.535,29 3.849,30 5.511,31 3.697,32 4.599,33 4.884,34 3.418,35 3.706,36 5.412,37 3.563,38 4.433,39 4.7,40 3.306,41 3.553,42 5.291,43 3.427,44 4.3,45 4.574,46 3.179,47 3.362,48 5.233,49 3.245,50 4.157,51 4.435,52 2.785,53 3.141,54 5.094,55 2.994,56 0.032,57 0.622,58 9.26,59 3.361,60 6.24,61 5.059,62 0.206,63 0.989,64 17.422,65 5.715,66 19.558,67 8.805,68 0.25,69 1.164,70 22.734,71 7.724,72 30.086,73 11.576,74 0.206,75 1.174,76 24.837,77 8.755,78 30.8,79 13.431,80 0.222,81 1.043,82 23.137,83 7.555,84 28.903,85 11.734,86 0.205,87 0.91,88 19.518,89 5.996,90 21.401,91 9.46,92 0.211,93 0.775,94 17.27,95 4.809,96 25.241,97 7.917,98 0.28,99 0.629,100 15.332,101 3.993,102 27.175,103 6.358,104 12,105 31,106 0.268,107 0.642,108 0.821,109 0.821,110 0.821,111 0.821,112 3.058,113 0.963,114 -2.74,115 -2.76,116 -2.68,119 37.5,120 1,121 2,122 1,124 1,125 2,140 1,141 2,143 1,145 1,149 1,150 1,156 1,169 5,172 4,174 2,176 4,178 5,182 2,184 1,186 3,189 3,192 1,193 4,197 3,199 3,203 3,207 1,208 1,211 1,215 4,218 1,220 2,222 1,226 1,229 1,231 1,233 1,236 1,237 2,240 1,244 2,259 488,260 13.378,261 13.378,262 13.378,263 13.378,264 13.378,265 12.066,266 18.206,267 7.863,268 13.629,269 10.875,270 10.875,271 10.875,272 10.875,273 10.875,274 8.843,275 23.82,276 3.766,277 11.265,278 3.826,279 1.734,280 0.738,281 0.738,282 0.738,283 0.738,284 3.737,287 1,288 1,289 1,290 357,291 2.646,294 40.663,295 104.956,298 74.498,302 1.34,303 14.141,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 43,315 168,316 4.586,317 3.535,318 6.719,319 4.158,320 3.172,321 4.52,322 1.907,323 10.946,324 3.13,325 3.861,326 3.294,327 5.781,328 3.595,329 2.631,330 3.226,331 0.8,332 7.931,333 2.538,334 3.645,335 2.782,336 5.358,337 3.382,338 2.426,339 2.876,340 0.149,341 6.945,342 2.324,343 3.343,344 2.532,345 5.034,346 3.104,347 2.156,348 2.51,350 6.005,351 2.033,352 3.27,353 2.234,354 4.555,355 2.848,356 1.85,357 2.39,359 4.578,360 1.826,361 2.848,362 1.522,363 4.41,364 2.471,365 1.502,366 1.951,368 4.325,369 1.452,370 2.549,371 1.18,372 3.954,373 2.101,374 1.14,375 1.563,377 3.015,378 1.092,379 2.043,380 1.077,381 3.414,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 0.768,390 3.238,391 1.565,392 0.63,393 0.868,395 1.536,396 0.587,397 1.218,398 0.54,399 2.646,400 0.892,401 -0.067,402 -0.078,404 -0.163,405 -0.064,406 0.843,407 0.098,408 2.483,409 0.684,410 -0.286,411 -0.318,413 -0.693,414 -0.276,415 0.646,416 -0.095,417 2.159,418 0.122,419 -0.851,420 -1,422 -2,423 -0.803,424 0.543,425 -0.634,426 2,427 0.097,428 -0.89,429 -1.045,431 -2.237,432 -0.859,433 0.291,434 -0.784,435 2,436 0.055,437 -1,438 -1.233,440 -2.674,441 -0.946,443 -0.824,444 1.683,445 -0.049,446 -1,447 -1.37,449 -3,450 -1.095,451 9.433,452 0.472,453 0.541,454 0.027,455 23.5,456 1.175,457 10,458 0.5,459 13.5,460 0.675,461 16.442,462 0.822,463 22.367,464 0.559,465 14.862,466 0.743,467 4.459,468 0.223,469 5.172,470 0.259,471 0.141,473 0.36,479 0.83,480 1.539,481 0.87,482 1.199,483 0.571,484 1.055,485 0.819,486 1.064,487 0.884,488 0.934,489 0.468,490 0.908,491 1.103,492 1.033,493 1.133,494 1.071,495 1.071,496 1.104,497 0.491,498 1.096,499 0.891,500 1.113,501 0.39,502 1.065,503 0.735,504 0.952,505 0.878,506 0.966,507 0.68,508 0.943,509 0.952,510 1.069,511 1.032,512 1.063,513 0.823,514 1.053,515 0.984,516 1.137,517 1.003,518 1.052,519 0.835,520 1.021,521 1.653,522 0.773,523 1.383,524 0.977,525 1.725,526 1.114,527 4.5,528 0.058,529 2.222,530 1.257,531 1.001,532 0.573,533 0.455,534 0.312,535 0.144,536 0.071,537 3623,538 8568,539 2.077,540 50,541 1,542 8,543 1,544 1,545 2,546 3,547 4,550 1.619,551 1.935,552 3.081,553 0.361,555 1,557 1,559 59.835,560 1.496,561 3.588,562 4.584,563 4.584,564 4.584,565 4.584,566 2.504,567 3.884,568 4.289,569 3.178,570 603.899,571 7.339,572 6047.02,573 1,574 1,577 212.877,578 1.441,579 4.248,580 0.205,581 0.019,582 0.072,583 0.043,584 0.038,585 0.025,586 0.023,587 0.018,588 0.014,589 0.01,590 0.468,591 0.67,592 1,593 1.059,594 87.789,595 -0.045,596 -0.242,597 0.058,598 -0.064,599 -0.011,601 0.065,602 0.1,603 0.074,604 0.101,605 0.144,606 0.093,607 -0.156,608 0.037,609 -0.177,610 -0.038,611 -0.115,612 -0.103,613 0.12,614 -0.138,615 0.039,616 -0.086,617 0.127,618 -0.043,619 0.038,620 -0.017,621 0.078,622 0.015,623 0.019,624 0.047,625 -0.042,626 -0.076,627 -0.062,628 -0.098,629 -0.048,630 -0.083,631 0.041,632 -0.158,633 -0.013,634 -0.126,635 0.059,636 -0.079,637 -0.238,638 0.198,639 -0.352,640 -0.109,641 -0.262,642 -0.224,643 1.756,644 4.146,645 0.75,646 14.52,647 0.995,648 1.138,649 1.515,650 2.295,651 0.639,652 3.135,653 3.466,654 3.714,655 4.007,656 4.234,657 4.331,658 4.466,659 4.554,660 4.489,661 4.443,662 4.974,663 0.6,664 272.39,665 3.135,666 4.673,667 5.517,668 6.402,669 7.272,670 8.164,671 9.046,672 9.941,673 10.83,674 11.728,675 10,678 1,682 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 40,716 11,718 22,720 42,721 15,722 7,730 3,731 4,736 1,740 2,741 1,743 2,745 8,746 7,747 1,750 1,755 1,759 1,760 1,761 1,764 20,765 4,766 2,767 5,773 4,777 0.667,778 1,786 1,788 1,792 1,793 2,796 1,805 1,815 1,819 2,823 2,827 20,833 4,834 1,837 1,838 1,847 2.5,850 1,854 10.333,855 7.65,856 4.333,857 2.454,858 2.174,859 1.32,860 0.985,861 3.66,862 8.96,863 3.367,864 3.956,865 4.518,866 5.159,867 5.666,868 6.042,869 6.459,870 6.821,871 6.759,872 6.909,873 0.833,874 29,875 7.395,877 3.107,878 7.633,879 14.468,881 12.077,883 2.133,884 42.667,885 0.001,888 211.88,889 69.008,890 54.706,892 25.145,895 69.008,896 237.025,897 54.706,898 17.222,899 27.291,900 18.524,901 58.406,902 34.716,903 16.243,904 188.338,906 211.88,907 123.715,908 25.145,911 164.795,912 72.229,915 65.074,916 41.855,917 16.786,919 211.88,920 79.851,921 69.008,924 211.88,925 24.216,926 47.917,927 34.796,928 41.93,929 211.88,930 79.851,931 69.008,933 0.584,934 0.321,935 0.177,936 0.102,937 16,938 7,939 0.048,940 2,941 1,942 1.133,943 3.233,944 151.961,945 0.133,946 15,947 82.439,951 13.438,952 5.447,953 2.83,954 2.214,955 63.066,956 5.861,957 4.246,958 3.288,961 1.973,963 34.796,964 360.739,965 28,970 11.146,974 -0.09,975 39.803,976 45.524,977 0.281,978 0.674,979 0.861,980 0.861,981 0.861,982 0.861,983 4.61,984 1,985 5.509,986 3.015,987 4.143,988 4.64,989 2.08,990 6.315,991 4.079,992 5.807,993 0.63,994 7.062,995 2.275,996 3.761,997 4.527,998 1.668,999 7.209,1000 3.692,1001 7.113,1002 -0.067,1003 8.713,1004 1.536,1005 5.727,1006 6.846,1007 2.929,1008 10.307,1009 5.61,1010 8.453,1011 -0.286,1012 10.421,1013 -0.163,1014 6.133,1015 7.6,1016 3.047,1017 12.065,1018 6.021,1019 9.827,1020 -0.851,1021 12.17,1022 -0.693,1023 7.598,1024 9.433,1025 4.042,1026 14.695,1027 7.448,1028 11.228,1029 -0.89,1030 13.948,1031 -2,1032 8.382,1033 10.601,1034 4.412,1035 16.824,1036 8.239,1037 12.65,1038 -1,1039 15.749,1040 -2.237,1041 9.644,1042 12.241,1043 5.251,1044 19.296,1045 9.474,1046 3.172,1047 -1,1048 17.569,1049 -2.674,1050 10.615,1051 13.602,1052 5.75,1053 21.581,1054 10.449,1055 2.631,1056 10.946,1057 19.403,1058 -3,1059 11.797,1060 15.163,1061 6.501,1062 24,1063 11.612,1064 2.426,1065 7.931,1066 21.249,1067 4.52,1068 12.859,1069 16.608,1070 7.068,1071 26.347,1072 12.672,1073 2.156,1074 6.945,1075 23.106,1076 3.226,1077 14.012,1078 18.137,1079 7.771,1080 28.748,1081 13.812,1082 1.85,1083 6.005,1084 24.97,1085 2.876,1086 15.119,1087 19.619,1088 8.374,1089 31.122,1090 14.913,1091 1.502,1092 4.578,1093 26.842,1094 2.51,1095 16.264,1096 21.135,1097 9.051,1098 33.517,1099 16.046,1100 1.14,1101 4.325,1102 28.719,1103 2.39,1104 17.392,1105 22.632,1106 9.674,1107 35.901,1108 17.166,1109 3591,1110 5623,1111 14.622,1112 25.569,1113 33.382,1114 33.691,1115 34.199,1116 32.99,1117 33.014,1118 41.809,1119 5.712,1120 95.113,1121 31.93,1122 5.586,1123 5.535,1124 6.133,1125 5.202,1126 5.172,1127 7.52,1128 3.306,1129 18.076,1130 5.075,1131 9.693,1132 1.517,1133 1.531,1134 1.555,1135 1.5,1136 1.501,1137 1.9,1138 0.26,1139 4.323,1140 1.451,1141 4.135,1142 4.175,1143 4.096,1144 4.034,1145 7.43,1146 4.044,1147 3.805,1148 3.874,1149 3.687,1150 3.646,1151 5.028,1152 3.647,1153 3.598,1154 3.652,1155 3.517,1156 3.356,1157 4.482,1158 3.386,1159 3.309,1160 3.382,1161 3.198,1162 3.112,1163 4.323,1164 3.121,1165 3.18,1166 3.275,1167 3.009,1168 2.954,1169 3.93,1170 2.955,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.795,1176 2.91,1177 2.89,1178 2.968,1179 2.735,1180 2.734,1181 3.671,1182 2.724,1183 2.649,1184 2.773,1185 2.395,1186 2.38,1187 3.474,1188 2.351,1189 0.208,1190 0.161,1191 0.305,1192 0.189,1193 0.144,1194 4.586,1195 0.205,1196 3.535,1197 0.087,1198 6.719,1199 0.498,1200 4.158,1201 0.142,1202 3.172,1203 4.52,1204 1.907,1205 10.946,1206 3.13,1207 1.932,1208 1.9,1209 2.074,1210 2.057,1211 1.441,1212 2.063,1213 1.797,1214 1.741,1215 1.922,1216 1.986,1217 1.053,1218 1.973,1219 1.469,1220 1.408,1221 1.705,1222 1.733,1223 0.825,1224 1.718,1225 1.448,1226 1.387,1227 1.661,1228 1.666,1229 0.789,1230 1.671,1231 1.17,1232 1.073,1233 1.513,1234 1.435,1235 0.718,1236 1.466,1237 1.153,1238 1.064,1239 1.502,1240 1.376,1241 0.571,1242 1.429,1243 0.909,1244 0.831,1245 1.184,1246 1.164,1247 0.341,1248 1.182,1249 0.67,1250 0.581,1251 1.047,1252 0.97,1253 0.157,1254 1.005,1255 3.807,1257 5.13,1258 2.398,1259 6.64,1260 4.727,1261 8.239,1262 6.843,1263 9.888,1265 3.672,1271 4.643,1272 2.752,1275 0.59,1276 2.371,1280 24.015,1281 59.835,1282 143.519,1283 183.367,1284 183.367,1285 183.367,1286 183.367,1287 26.531,1288 6.786,1289 61.02,1290 61.02,1291 17,1292 12.253,1293 3.585,1294 2.807,1295 29.901,1296 58,1297 61,1298 0.258,1299 149.012,1300 248.77,1301 355.349,1302 6916,1304 14.113,1305 0.706,1306 0.597,1307 14.113,1308 11.941,1309 9.631,1310 0.438,1311 0.321,1312 6.963,1313 9.237,1314 6.738,1315 5.603,1316 9.631,1317 7.064,1318 8.994,1319 0.29,1320 0.181,1321 8.994,1322 5.618,1323 7.048,1324 0.176,1325 0.102,1326 7.048,1327 4.061,1328 6.042,1329 0.112,1330 0.055,1331 6.042,1332 2.949,1333 4.898,1334 0.072,1335 0.031,1336 4.898,1337 2.141,1338 0.393,1339 60.377,1340 0.262,1341 19.707,1342 0.741,1343 106,1344 275.691,1345 115.514,1346 269.057,1347 368.72,1348 252,1349 124,1350 272.087,1351 133.017,1352 277.711,1353 401.91,1354 260,1355 7.409} {0 CHEMBL104158,1 1.551,2 8.4,3 1.106,4 1.223,5 77.18,6 7.01,7 0.455,8 3.768,9 3.913,10 3.288,11 3.23,12 4.802,13 3.216,14 4.339,15 4.554,16 3.649,17 3.644,18 5.341,19 3.6,20 4.573,21 4.803,22 3.625,23 3.791,24 5.508,25 3.698,26 4.645,27 4.921,28 3.545,29 3.765,30 5.533,31 3.634,32 4.534,33 4.822,34 3.419,35 3.613,36 5.384,37 3.499,38 4.342,39 4.596,40 3.307,41 3.476,42 5.271,43 3.378,44 4.238,45 4.498,46 3.18,47 3.32,48 5.211,49 3.216,50 4.15,51 4.433,52 2.783,53 3.105,54 5.1,55 2.971,56 0.02,57 0.623,58 8.832,59 3.02,60 5.724,61 4.697,62 0.249,63 0.971,64 17.006,65 5.265,66 21.535,67 8.232,68 0.269,69 1.116,70 21.954,71 6.913,72 32.365,73 10.667,74 0.282,75 1.099,76 24.167,77 7.462,78 38.383,79 12.092,80 0.261,81 0.966,82 21.983,83 6.033,84 29.477,85 10.078,86 0.244,87 0.837,88 17.761,89 4.953,90 22.047,91 8.017,92 0.187,93 0.72,94 16.048,95 4.375,96 24.321,97 7.311,98 0.316,99 0.587,100 15.402,101 3.602,102 30.324,103 5.974,104 12,105 31,106 0.279,107 0.635,108 0.815,109 0.815,110 0.815,111 0.815,112 3.058,113 0.946,114 -2.12,115 -2.17,116 -2.15,119 35.9,120 1,121 2,122 1,124 1,125 2,141 1,143 1,144 1,148 1,149 1,150 1,156 1,169 3,171 1,172 4,174 3,176 2,178 3,182 2,184 2,186 1,192 2,193 6,197 3,203 1,207 1,208 1,214 1,215 3,218 1,220 2,222 1,226 1,229 1,231 1,233 1,236 1,237 2,240 1,244 2,259 488,260 13.378,261 13.378,262 13.378,263 13.378,264 13.378,265 12.066,266 18.206,267 7.863,268 13.685,269 10.875,270 10.875,271 10.875,272 10.875,273 10.875,274 8.843,275 23.82,276 3.766,277 11.371,278 3.734,279 1.759,280 0.757,281 0.757,282 0.757,283 0.757,284 3.737,288 1,289 1,290 357,291 2.646,294 40.663,295 104.956,298 74.498,302 1.34,303 16.258,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 43.5,315 168,316 4.586,317 3.535,318 6.719,319 4.146,320 3.172,321 4.52,322 1.907,323 10.946,324 3.093,325 3.861,326 3.294,327 5.781,328 3.585,329 2.631,330 3.226,331 0.8,332 7.931,333 2.511,334 3.645,335 2.782,336 5.358,337 3.377,338 2.426,339 2.876,340 0.149,341 6.945,342 2.313,343 3.343,344 2.532,345 5.034,346 3.104,347 2.156,348 2.51,350 6.005,351 2.031,352 3.27,353 2.234,354 4.555,355 2.832,356 1.85,357 2.39,359 4.578,360 1.791,361 2.848,362 1.522,363 4.41,364 2.457,365 1.502,366 1.951,368 4.325,369 1.431,370 2.549,371 1.18,372 3.954,373 2.088,374 1.14,375 1.563,377 3.015,378 1.077,379 2.043,380 1.077,381 3.414,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 0.768,390 3.238,391 1.557,392 0.63,393 0.868,395 1.536,396 0.583,397 1.218,398 0.54,399 2.646,400 0.882,401 -0.067,402 -0.078,404 -0.163,405 -0.063,406 0.843,407 0.098,408 2.483,409 0.672,410 -0.286,411 -0.318,413 -0.693,414 -0.272,415 0.646,416 -0.095,417 2.159,418 0.115,419 -0.851,420 -1,422 -2,423 -0.792,424 0.543,425 -0.634,426 2,427 0.082,428 -0.89,429 -1.045,431 -2.237,432 -0.837,433 0.291,434 -0.784,435 2,436 0.038,437 -1,438 -1.233,440 -2.674,441 -0.946,443 -0.824,444 1.683,445 -0.049,446 -1,447 -1.37,449 -3,450 -1.094,451 9.333,452 0.467,453 0.541,454 0.027,455 24,456 1.2,457 10,458 0.5,459 14,460 0.7,461 16.119,462 0.806,463 22.467,464 0.576,465 15.185,466 0.759,467 4.537,468 0.227,469 5.094,470 0.255,471 0.143,473 0.364,479 0.838,480 1.664,481 0.837,482 1.257,483 0.575,484 1.068,485 0.75,486 1.022,487 0.846,488 0.931,489 0.461,490 0.897,491 1.046,492 1.102,493 1.083,494 1.105,495 1.058,496 1.108,497 0.536,498 1.093,499 0.864,500 1.061,501 0.401,502 1.017,503 0.855,504 0.921,505 0.9,506 0.882,507 0.635,508 0.882,509 1.081,510 1.004,511 1.124,512 1.055,513 0.942,514 1.081,515 0.929,516 1.239,517 1.023,518 1.176,519 0.843,520 1.115,521 1.645,522 0.67,523 1.385,524 0.894,525 1.708,526 1.065,527 4.5,528 0.058,529 2.222,530 1.257,531 1.001,532 0.573,533 0.455,534 0.312,535 0.144,536 0.071,537 3623,538 8956,539 2.077,540 48.7,541 1,542 7,543 1,544 1,545 2,546 3,547 4,550 1.619,551 1.935,552 3.081,553 0.41,555 1,557 1,559 60.507,560 1.551,561 3.526,562 4.529,563 4.529,564 4.529,565 4.529,566 2.504,567 3.884,568 4.289,569 3.178,570 603.899,571 7.339,572 6047.02,573 1,574 1,577 206.131,578 1.441,579 4.248,580 0.205,581 0.019,582 0.072,583 0.043,584 0.038,585 0.025,586 0.023,587 0.018,588 0.014,589 0.01,590 0.468,591 0.67,592 1,593 1.059,594 87.789,595 -0.061,596 -0.342,597 0.06,598 -0.11,599 -0.01,600 -0.02,601 0.138,602 0.144,603 0.1,604 0.101,605 0.17,606 0.095,607 -0.102,608 -0.035,609 -0.134,610 -0.072,611 -0.092,612 -0.109,613 0.161,614 -0.138,615 0.08,616 -0.053,617 0.169,618 -0.006,619 -0.031,620 0.029,621 0.071,622 0.066,623 0.002,624 0.088,625 -0.101,626 0.034,627 -0.154,628 -0.094,629 -0.106,630 -0.124,631 0.03,632 -0.253,633 -0.051,634 -0.214,635 0.049,636 -0.15,637 -0.293,638 0.267,639 -0.354,640 -0.04,641 -0.283,642 -0.18,643 1.819,644 4.106,645 0.75,646 14.52,647 1.001,648 1.144,649 0.893,650 0.797,651 0.636,652 3.135,653 3.466,654 3.714,655 4.007,656 4.234,657 4.331,658 4.466,659 4.554,660 4.489,661 4.443,662 4.974,663 0.603,664 273.38,665 3.135,666 4.673,667 5.517,668 6.402,669 7.272,670 8.164,671 9.046,672 9.941,673 10.83,674 11.728,675 12.8,678 1,682 1,683 1,685 2,687 2,688 2,689 2,690 1,693 2,695 10,714 39,716 11,718 22,720 41,721 14,722 6,730 3,731 4,736 1,740 2,741 1,743 2,745 7,746 7,747 1,750 1,755 1,759 1,760 1,761 1,764 19,765 5,766 2,767 6,773 5,777 0.667,778 1,787 1,788 1,792 1,793 2,796 1,805 1,815 1,819 2,823 2,827 20,833 4,834 1,837 1,838 1,847 2.6,850 1,854 10.333,855 7.517,856 4.333,857 2.388,858 2.174,859 1.32,860 0.981,861 3.617,862 8.96,863 3.367,864 3.956,865 4.518,866 5.159,867 5.666,868 6.042,869 6.459,870 6.821,871 6.759,872 6.909,873 0.833,874 29,875 7.387,877 3.107,878 7.683,879 14.338,881 11.876,883 2.183,884 43.667,885 0.001,888 200.109,889 58.674,890 71.492,892 25.145,895 58.674,896 225.254,897 71.492,898 17.222,899 27.291,900 9.047,901 75.192,902 34.287,903 15.814,904 176.567,906 200.109,907 130.166,908 25.145,911 153.024,912 72.229,915 69.117,916 27.478,917 33.571,919 200.109,920 96.637,921 58.674,924 200.109,925 23.358,926 38.441,927 34.796,928 58.716,929 200.109,930 96.637,931 58.674,933 0.584,934 0.321,935 0.177,936 0.102,937 16,938 7,939 0.049,940 2,941 1,942 1.133,943 3.233,944 151.961,945 0.133,946 15,947 82.439,951 13.376,952 5.408,953 2.805,954 1.853,955 79.851,956 3.763,957 8.617,958 3.226,961 1.612,963 34.796,964 355.42,965 28,970 11.106,974 -0.152,975 39.022,976 44.607,977 0.294,978 0.667,979 0.857,980 0.857,981 0.857,982 0.857,983 4.61,984 1,985 5.509,986 3.015,987 4.143,988 4.64,989 2.08,990 6.315,991 4.06,992 5.807,993 0.63,994 7.062,995 2.275,996 3.761,997 4.527,998 1.668,999 7.209,1000 3.664,1001 7.113,1002 -0.067,1003 8.713,1004 1.536,1005 5.727,1006 6.846,1007 2.929,1008 10.307,1009 5.569,1010 8.453,1011 -0.286,1012 10.421,1013 -0.163,1014 6.133,1015 7.6,1016 3.047,1017 12.065,1018 5.971,1019 9.827,1020 -0.851,1021 12.17,1022 -0.693,1023 7.598,1024 9.433,1025 4.042,1026 14.695,1027 7.384,1028 11.228,1029 -0.89,1030 13.948,1031 -2,1032 8.382,1033 10.601,1034 4.412,1035 16.824,1036 8.164,1037 12.65,1038 -1,1039 15.749,1040 -2.237,1041 9.644,1042 12.241,1043 5.251,1044 19.296,1045 9.385,1046 3.172,1047 -1,1048 17.569,1049 -2.674,1050 10.615,1051 13.602,1052 5.75,1053 21.581,1054 10.348,1055 2.631,1056 10.946,1057 19.403,1058 -3,1059 11.797,1060 15.163,1061 6.501,1062 24,1063 11.498,1064 2.426,1065 7.931,1066 21.249,1067 4.52,1068 12.859,1069 16.608,1070 7.068,1071 26.347,1072 12.546,1073 2.156,1074 6.945,1075 23.106,1076 3.226,1077 14.012,1078 18.137,1079 7.771,1080 28.748,1081 13.672,1082 1.85,1083 6.005,1084 24.97,1085 2.876,1086 15.119,1087 19.619,1088 8.374,1089 31.122,1090 14.761,1091 1.502,1092 4.578,1093 26.842,1094 2.51,1095 16.264,1096 21.135,1097 9.051,1098 33.517,1099 15.882,1100 1.14,1101 4.325,1102 28.719,1103 2.39,1104 17.392,1105 22.632,1106 9.674,1107 35.901,1108 16.99,1109 3591,1110 5767,1111 14.622,1112 24.813,1113 33.382,1114 33.691,1115 34.199,1116 32.995,1117 33.014,1118 41.809,1119 5.712,1120 95.113,1121 31.624,1122 5.586,1123 5.535,1124 6.133,1125 5.217,1126 5.172,1127 7.52,1128 3.306,1129 18.076,1130 5.029,1131 9.693,1132 1.517,1133 1.531,1134 1.555,1135 1.5,1136 1.501,1137 1.9,1138 0.26,1139 4.323,1140 1.437,1141 4.12,1142 4.166,1143 4.085,1144 3.99,1145 7.43,1146 4.007,1147 3.801,1148 3.872,1149 3.684,1150 3.631,1151 5.103,1152 3.635,1153 3.595,1154 3.65,1155 3.515,1156 3.347,1157 4.501,1158 3.379,1159 3.299,1160 3.376,1161 3.19,1162 3.093,1163 4.325,1164 3.103,1165 3.164,1166 3.262,1167 2.998,1168 2.941,1169 4.002,1170 2.921,1171 3.111,1172 3.206,1173 2.866,1174 2.913,1175 3.832,1176 2.91,1177 2.841,1178 2.932,1179 2.694,1180 2.631,1181 3.743,1182 2.635,1183 2.647,1184 2.772,1185 2.385,1186 2.369,1187 3.474,1188 2.348,1189 0.208,1190 0.161,1191 0.305,1192 0.188,1193 0.144,1194 4.586,1195 0.205,1196 3.535,1197 0.087,1198 6.719,1199 0.498,1200 4.146,1201 0.141,1202 3.172,1203 4.52,1204 1.907,1205 10.946,1206 3.093,1207 1.897,1208 1.854,1209 2.065,1210 2.05,1211 1.436,1212 2.055,1213 1.764,1214 1.707,1215 1.852,1216 1.978,1217 0.929,1218 1.95,1219 1.466,1220 1.407,1221 1.702,1222 1.733,1223 0.825,1224 1.718,1225 1.443,1226 1.38,1227 1.658,1228 1.661,1229 0.781,1230 1.664,1231 1.153,1232 1.064,1233 1.513,1234 1.427,1235 0.718,1236 1.454,1237 1.152,1238 1.052,1239 1.48,1240 1.376,1241 0.557,1242 1.429,1243 0.89,1244 0.803,1245 1.16,1246 1.163,1247 0.297,1248 1.178,1249 0.643,1250 0.526,1251 1.042,1252 0.969,1253 0.088,1254 1.005,1255 3.807,1257 5.13,1258 2.398,1259 6.64,1260 4.727,1261 8.239,1262 6.843,1263 9.888,1265 3.616,1271 4.508,1272 2.641,1275 0.528,1276 2.35,1280 23.509,1281 60.507,1282 137.527,1283 176.621,1284 176.621,1285 176.621,1286 176.621,1287 26.683,1288 6.786,1289 73.91,1290 73.91,1291 17,1292 12.253,1293 3.585,1294 2.807,1295 29.901,1296 58,1297 61,1298 0.258,1299 146.214,1300 242.47,1301 348.522,1302 6916,1304 14.113,1305 0.706,1306 0.591,1307 14.113,1308 11.81,1309 9.631,1310 0.438,1311 0.315,1312 6.818,1313 9.181,1314 6.611,1315 5.496,1316 9.631,1317 6.934,1318 8.994,1319 0.29,1320 0.176,1321 8.994,1322 5.459,1323 7.048,1324 0.176,1325 0.097,1326 7.048,1327 3.892,1328 6.042,1329 0.112,1330 0.051,1331 6.042,1332 2.78,1333 4.898,1334 0.072,1335 0.03,1336 4.898,1337 2.007,1338 0.393,1339 60.785,1340 0.262,1341 19.707,1342 0.741,1343 106,1344 295.337,1345 117.678,1346 286.284,1347 392.12,1348 268,1349 124,1350 290.904,1351 135.376,1352 294.928,1353 428.95,1354 276,1355 6.328} {0 CHEMBL104374,1 1.459,2 7.611,3 2.615,4 6.84,5 72.107,6 6.631,7 0.5,8 3.709,9 3.845,10 3.196,11 3.194,12 4.674,13 3.164,14 4.294,15 4.501,16 3.534,17 3.611,18 5.167,19 3.555,20 4.499,21 4.728,22 3.542,23 3.768,24 5.308,25 3.657,26 4.609,27 4.883,28 3.386,29 3.746,30 5.344,31 3.592,32 4.505,33 4.798,34 3.264,35 3.57,36 5.227,37 3.415,38 4.275,39 4.54,40 3.106,41 3.374,42 5.063,43 3.246,44 4.107,45 4.349,46 2.829,47 3.2,48 4.908,49 3.048,50 4.042,51 4.356,52 2.368,53 2.933,54 4.726,55 2.715,56 0.031,57 0.557,58 8.892,59 3.291,60 6.953,61 4.842,62 0.223,63 0.893,64 16.838,65 5.344,66 16.461,67 8.162,68 0.164,69 1.058,70 20.373,71 7.295,72 17.207,73 10.923,74 0.198,75 1.074,76 23.107,77 7.787,78 20.257,79 12.002,80 0.228,81 0.927,82 21.044,83 6.727,84 20.371,85 10.58,86 0.243,87 0.756,88 16.858,89 5.189,90 17.279,91 7.914,92 0.148,93 0.62,94 14.092,95 4.575,96 14.883,97 6.844,98 0.243,99 0.503,100 13.604,101 3.914,102 16.291,103 6.159,104 6,105 28,106 0.267,107 0.611,108 0.798,109 0.808,110 0.808,111 0.808,112 2.962,113 0.972,114 -2.96,115 -2.96,116 -2.86,119 37.8,121 2,122 1,124 2,125 2,140 2,141 1,144 1,145 1,149 1,150 1,169 4,171 1,172 5,176 2,178 3,182 4,184 1,186 2,189 1,193 4,197 2,199 2,203 1,206 1,211 3,214 1,215 2,218 1,222 2,226 1,236 1,237 1,259 350,260 12.386,261 12.386,262 12.386,263 12.386,264 12.386,265 11.281,266 15.68,267 7.212,268 12.791,269 9.803,270 9.803,271 9.803,272 9.803,273 9.803,274 8.042,275 18.713,276 3.351,277 10.36,278 3.75,279 1.875,280 0.852,281 0.798,282 0.798,283 0.798,284 3.641,287 1,288 1,289 1,290 295,291 2,294 34.041,295 90.525,298 63.422,302 1.167,303 9.7,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38.5,315 137,316 4.585,317 3.306,318 6.718,319 4.147,320 3.171,321 4.52,322 0.86,323 10.944,324 3.096,325 3.808,326 2.854,327 5.776,328 3.567,329 2.608,330 3.172,331 0.8,332 7.887,333 2.505,334 3.563,335 2.675,336 5.228,337 3.237,338 2.322,339 2.831,341 6.529,342 2.123,343 3.296,344 2.355,345 5.033,346 3.037,347 2.105,348 2.391,350 5.994,351 1.95,352 2.851,353 1.522,354 4.546,355 2.471,356 1.502,357 1.958,359 4.356,360 1.452,361 2.561,362 1.272,363 3.966,364 2.105,365 1.164,366 1.58,368 3.044,369 1.092,370 2.073,371 1.077,372 3.414,373 1.984,374 1,375 1,377 2.275,378 0.983,379 2,380 1.019,381 3.251,382 1.647,383 0.71,384 0.93,386 1.597,387 0.66,388 1.565,389 0.615,390 2.79,391 1.237,392 0.368,393 0.431,395 0.594,396 0.318,397 0.903,398 0.005,399 2.485,400 0.759,401 -0.201,402 -0.214,404 -0.433,405 -0.192,406 0.691,407 -0.367,408 2.174,409 0.251,410 -0.667,411 -0.835,413 -1.481,414 -0.605,415 0.557,416 -0.784,417 2,418 0.095,419 -0.875,420 -1,422 -2.669,423 -0.848,424 0.006,425 -0.788,426 2,427 -0.049,428 -1,429 -1.218,431 -3,432 -0.946,434 -0.929,435 1.66,436 -0.3,437 -1.233,438 -1.381,440 -3.066,441 -1.138,442 -0.281,443 -1.224,444 1.507,445 -0.558,446 -1.498,447 -1.699,449 -3.865,450 -1.345,451 8.533,452 0.474,453 0.397,454 0.022,455 20.75,456 1.153,457 8.5,458 0.472,459 12.25,460 0.681,461 14.429,462 0.802,463 20.267,464 0.548,465 12.212,466 0.678,467 3.977,468 0.221,469 4.798,470 0.267,471 0.117,473 0.34,479 0.942,480 1.556,481 0.884,482 1.261,483 0.832,484 1.09,485 1.28,486 1.012,487 0.956,488 0.842,489 0.881,490 0.852,491 0.789,492 1.168,493 1.016,494 1.155,495 0.72,496 1.118,497 0.817,498 1.025,499 1.007,500 1.046,501 1.036,502 1.044,503 0.712,504 0.977,505 0.879,506 0.962,507 0.88,508 0.937,509 1.27,510 0.867,511 1.11,512 0.956,513 1.3,514 1.004,515 1.476,516 1.268,517 1.312,518 1.314,519 1.451,520 1.309,521 1.347,522 0.729,523 1.133,524 0.836,525 1.394,526 0.947,527 3.5,529 2.222,530 1.007,531 0.921,532 0.518,533 0.322,534 0.168,535 0.094,536 0.051,537 2701,538 5709,539 2.12,540 51.4,541 1,542 12,543 1,545 1,547 4,550 1.589,551 2,552 2.949,553 -0.28,555 1,556 1,557 1,559 53.981,560 1.459,561 3.335,562 4.358,563 4.412,564 4.412,565 4.412,566 2.441,567 3.948,568 4.14,569 3.005,570 459.817,571 7.037,572 4207.86,573 1,574 1,576 1,577 192.75,578 1.352,579 4.109,580 0.175,582 0.079,583 0.037,584 0.042,585 0.027,586 0.02,587 0.015,588 0.016,589 0.017,590 0.429,591 0.83,592 1,593 0.816,594 75.165,596 -0.281,597 0.084,598 -0.116,599 0.081,600 -0.021,601 -0.065,602 0.129,603 0.049,604 0.175,605 0.13,606 0.134,607 -0.008,608 -0.09,609 -0.067,610 -0.111,611 0.112,612 -0.099,613 -0.057,614 -0.047,615 -0.058,616 -0.061,617 -0.118,618 -0.057,619 0.105,620 -0.045,621 0.082,622 -0.013,623 0.037,624 0.028,625 -0.067,626 0.127,627 -0.109,628 -0.019,629 -0.166,630 -0.064,631 -0.201,632 -0.301,633 -0.322,634 -0.331,635 -0.291,636 -0.344,637 -0.069,638 0.106,639 -0.129,640 0.038,641 -0.199,642 -0.042,643 0.976,644 1.718,645 0.833,646 11.099,647 0.992,648 1.136,649 1.726,650 2.98,651 0.637,652 3.045,653 3.367,654 3.664,655 3.932,656 4.174,657 4.248,658 4.317,659 4.369,660 4.317,661 4.205,662 4.46,663 0.594,664 245.36,665 3.045,666 4.575,667 5.434,668 6.315,669 7.197,670 8.087,671 8.976,672 9.87,673 10.764,674 11.66,675 8.1,678 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,712 1,714 37,716 10,718 20,720 39,721 14,722 7,730 3,731 4,740 2,741 1,743 2,745 7,746 7,747 1,761 1,764 19,765 3,766 1,767 4,773 3,777 0.667,778 1,786 1,788 1,792 1,793 2,796 1,815 1,819 2,823 2,827 18,833 4,835 1,837 1,838 1,847 2.7,852 1,854 9,855 7.15,856 4,857 2.257,858 2.08,859 1.316,860 0.982,861 3.163,862 8.656,863 3.258,864 3.855,865 4.484,866 5.106,867 5.619,868 5.967,869 6.314,870 6.633,871 6.525,872 6.57,873 1,874 27,875 6.656,877 2.772,878 7.444,879 13.217,881 11.04,883 1.944,884 35,885 0.003,888 211.88,889 68.848,890 36.695,892 11,895 68.848,896 222.88,897 36.695,898 19.279,899 9.28,900 28,901 16.786,902 36.239,903 18.73,904 200.109,906 211.88,907 105.544,908 11,911 164.795,912 58.084,915 31.334,916 57.424,917 16.786,919 211.88,920 47.695,921 68.848,924 211.88,925 21.569,926 50.404,927 16.786,928 27.785,929 211.88,930 47.695,931 68.848,933 0.579,934 0.345,935 0.184,936 0.107,937 15,938 6,939 0.051,940 2,941 1,942 1.133,943 3.058,944 132.721,945 0.133,946 15,947 71.059,951 11.846,952 4.806,953 2.225,954 2.175,955 30.91,956 6.059,957 4.581,958 3.316,961 2.035,963 16.786,964 328.423,965 25,975 36.702,976 42.026,977 0.28,978 0.64,979 0.837,980 0.847,981 0.847,982 0.847,983 4.494,984 0.71,985 5.416,986 2.275,987 4.043,988 4.538,989 1.235,990 6.232,991 3.948,992 5.683,993 0.368,994 6.976,995 1.597,996 3.611,997 4.388,998 0.325,999 7.154,1000 3.481,1001 6.989,1002 -0.201,1003 8.636,1004 0.594,1005 5.638,1006 6.778,1007 0.938,1008 10.255,1009 5.472,1010 8.336,1011 -0.667,1012 10.354,1013 -0.433,1014 6.043,1015 7.538,1016 0.268,1017 12.038,1018 5.856,1019 9.72,1020 -0.875,1021 12.113,1022 -1.481,1023 7.527,1024 9.395,1025 0.732,1026 14.666,1027 7.313,1028 11.132,1029 -1,1030 13.9,1031 -2.669,1032 8.319,1033 10.572,1034 0.188,1035 16.807,1036 8.093,1037 12.565,1038 -1.233,1039 15.708,1040 -3,1041 9.589,1042 12.221,1043 0.57,1044 19.28,1045 9.339,1046 3.171,1047 -1.498,1048 17.534,1049 -3.066,1050 10.569,1051 13.588,1052 0.125,1053 21.57,1054 10.307,1055 2.608,1056 10.944,1057 19.374,1058 -3.865,1059 11.755,1060 15.152,1061 0.438,1062 23.991,1063 11.472,1064 2.322,1065 7.887,1066 21.225,1067 4.52,1068 12.823,1069 16.6,1070 0.082,1071 26.341,1072 12.526,1073 2.105,1074 6.529,1075 23.085,1076 3.172,1077 13.98,1078 18.131,1079 0.334,1080 28.743,1081 13.662,1082 1.502,1083 5.994,1084 24.953,1085 2.831,1086 15.091,1087 19.614,1088 0.054,1089 31.117,1090 14.755,1091 1.164,1092 4.356,1093 26.827,1094 2.391,1095 16.239,1096 21.131,1097 0.252,1098 33.513,1099 15.882,1100 1,1101 3.044,1102 28.706,1103 1.958,1104 17.37,1105 22.629,1106 0.035,1107 35.898,1108 16.994,1109 2663,1110 3961,1111 13.523,1112 23.563,1113 30.104,1114 30.148,1115 31.064,1116 29.856,1117 29.897,1118 37.624,1119 3.32,1120 86.438,1121 28.361,1122 5.585,1123 5.306,1124 6.268,1125 5.193,1126 5.171,1127 7.52,1128 1.72,1129 18.073,1130 5.052,1131 7.326,1132 1.505,1133 1.507,1134 1.553,1135 1.493,1136 1.495,1137 1.881,1138 0.166,1139 4.322,1140 1.418,1141 4.127,1142 4.166,1143 4.088,1144 4.012,1145 5.078,1146 4.026,1147 3.804,1148 3.872,1149 3.684,1150 3.65,1151 4.634,1152 3.649,1153 3.465,1154 3.512,1155 3.374,1156 3.27,1157 4.341,1158 3.285,1159 3.232,1160 3.322,1161 3.051,1162 2.988,1163 4.077,1164 2.991,1165 3.111,1166 3.206,1167 2.871,1168 2.941,1169 3.906,1170 2.91,1171 3.096,1172 3.189,1173 2.866,1174 2.866,1175 3.711,1176 2.852,1177 2.804,1178 2.899,1179 2.661,1180 2.563,1181 3.474,1182 2.574,1183 2.603,1184 2.716,1185 2.321,1186 2.358,1187 3.143,1188 2.338,1189 0.229,1190 0.165,1191 0.336,1192 0.207,1193 0.159,1194 4.585,1195 0.226,1196 3.306,1197 0.043,1198 6.718,1199 0.547,1200 4.147,1201 0.155,1202 3.171,1203 4.52,1204 0.86,1205 10.944,1206 3.096,1207 1.912,1208 1.878,1209 2.067,1210 2.049,1211 1.436,1212 2.057,1213 1.8,1214 1.751,1215 1.918,1216 1.977,1217 1.013,1218 1.963,1219 1.453,1220 1.385,1221 1.659,1222 1.685,1223 0.825,1224 1.678,1225 1.235,1226 1.168,1227 1.578,1228 1.542,1229 0.806,1230 1.554,1231 1.153,1232 1.064,1233 1.513,1234 1.403,1235 0.58,1236 1.439,1237 1.132,1238 1.033,1239 1.477,1240 1.376,1241 0.556,1242 1.429,1243 0.91,1244 0.837,1245 1.178,1246 1.11,1247 0.316,1248 1.142,1249 0.621,1250 0.508,1251 1.002,1252 0.901,1253 0.182,1254 0.944,1255 3.714,1257 5.03,1258 2.398,1259 6.553,1260 4.727,1261 8.164,1262 6.843,1263 9.823,1265 3.85,1271 4.757,1273 5.218,1275 0.62,1276 2.388,1280 21.993,1281 53.981,1282 123.392,1283 161.24,1284 163.24,1285 163.24,1286 163.24,1287 19.429,1288 6.576,1289 41.15,1290 41.15,1291 17,1292 12.185,1293 3.459,1294 2.585,1295 25.67,1296 47,1297 50,1298 0.277,1299 135.553,1300 223.11,1301 322.508,1302 5248,1304 12.535,1305 0.696,1306 0.608,1307 12.535,1308 10.941,1309 8.775,1310 0.439,1311 0.324,1312 6.372,1313 8.381,1314 6.167,1315 5.134,1316 8.775,1317 6.482,1318 7.772,1319 0.278,1320 0.181,1321 7.772,1322 5.071,1323 6.821,1324 0.179,1325 0.102,1326 6.821,1327 3.894,1328 5.533,1329 0.111,1330 0.055,1331 5.533,1332 2.746,1333 4.601,1334 0.072,1335 0.032,1336 4.601,1337 2.02,1338 0.416,1339 55.326,1340 0.272,1341 17.784,1342 0.814,1343 96,1344 241.359,1345 104.512,1346 231.84,1347 324.64,1348 220,1349 114,1350 243.095,1351 123.18,1352 248.856,1353 363.91,1354 232,1355 7.638} {0 CHEMBL104484,1 1.5,2 12.037,3 3.295,4 10.86,5 104.637,6 7.489,7 0.533,8 3.97,9 4.097,10 3.549,11 3.538,12 5.088,13 3.517,14 4.512,15 4.691,16 3.904,17 3.953,18 5.544,19 3.906,20 4.792,21 5.006,22 3.951,23 4.102,24 5.809,25 4.015,26 4.874,27 5.128,28 3.844,29 4.043,30 5.901,31 3.932,32 4.757,33 5.024,34 3.741,35 3.891,36 5.733,37 3.795,38 4.565,39 4.799,40 3.698,41 3.804,42 5.608,43 3.732,44 4.513,45 4.736,46 3.651,47 3.771,48 5.679,49 3.684,50 4.497,51 4.75,52 3.467,53 3.688,54 5.482,55 3.583,56 0.024,57 0.74,58 9.447,59 4.058,60 9.415,61 5.449,62 0.182,63 1.206,64 18.041,65 6.981,66 17.561,67 9.677,68 0.18,69 1.492,70 25.439,71 9.714,72 33.484,73 13.614,74 0.303,75 1.522,76 29.813,77 10.293,78 58.184,79 14.83,80 0.302,81 1.346,82 27.241,83 8.861,84 49.251,85 12.845,86 0.263,87 1.182,88 21.154,89 6.928,90 32.541,91 9.852,92 0.249,93 1.101,94 19.686,95 7.153,96 52.557,97 10.15,98 0.257,99 1.04,100 20.542,101 6.94,102 37.949,103 9.824,104 11,105 42,106 0.252,107 0.643,108 0.783,109 0.823,110 0.823,111 0.823,112 3.34,113 0.912,114 -3.61,115 -3.58,116 -3.41,119 43.8,121 2,122 1,124 1,125 2,140 6,141 3,144 1,145 1,149 1,150 1,156 2,169 10,172 6,174 2,176 4,178 9,182 7,184 1,186 5,189 4,192 1,193 9,197 5,199 3,203 5,207 1,208 2,211 6,214 1,215 3,218 1,220 2,222 7,225 1,226 3,229 2,231 1,233 6,237 3,240 1,242 2,244 7,248 1,249 1,254 2,256 7,259 1113,260 18.472,261 18.472,262 18.472,263 18.472,264 18.472,265 16.46,266 22.211,267 10.749,268 18.738,269 14.73,270 14.73,271 14.73,272 14.73,273 14.73,274 11.518,275 27.097,276 5.037,277 15.151,278 4.085,279 1.754,280 0.922,281 0.682,282 0.682,283 0.682,284 4.038,287 1,288 1,289 1,290 709,291 3,294 63.231,295 245.385,298 112.261,302 1.748,303 23.494,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57.5,315 325,316 4.587,317 4.057,318 6.719,319 4.15,320 3.174,321 4.52,322 2.035,323 10.946,324 3.1,325 4.218,326 3.572,327 6.06,328 3.846,329 2.846,330 3.802,331 1.058,332 8.729,333 2.843,334 3.912,335 3.295,336 5.772,337 3.567,338 2.599,339 3.268,340 0.8,341 7.871,342 2.517,343 3.765,344 2.783,345 5.324,346 3.4,347 2.419,348 3.071,350 6.863,351 2.379,352 3.545,353 2.548,354 5.202,355 3.194,356 2.24,357 2.818,359 6.453,360 2.125,361 3.297,362 2.483,363 5.033,364 3.027,365 2.078,366 2.391,368 5.997,369 1.962,370 3.115,371 2.237,372 4.548,373 2.471,374 1.502,375 1.982,377 4.362,378 1.454,379 2.851,380 1.866,381 4.086,382 2.336,383 1.334,384 1.895,386 3.472,387 1.326,388 2.687,389 1.522,390 3.94,391 2.084,392 1.123,393 1.556,395 2.966,396 1.075,397 2.54,398 1.18,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.077,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2.041,416 1,417 3.242,418 1.589,419 0.629,420 0.957,422 1.525,423 0.603,424 2,425 0.751,426 2.872,427 1.427,428 0.476,429 0.841,431 0.737,432 0.45,433 1.218,434 0.443,435 2.59,436 0.875,437 -0.092,438 -0.108,440 -0.216,441 -0.088,442 1.018,443 0.164,444 2.484,445 0.666,446 -0.296,447 -0.346,449 -0.707,450 -0.283,451 12.833,452 0.475,453 0.623,454 0.023,455 36.75,456 1.361,457 19,458 0.704,459 17.75,460 0.657,461 20.76,462 0.769,463 27.967,464 0.583,465 26.131,466 0.968,467 7.007,468 0.26,469 6.128,470 0.227,471 0.096,473 0.343,479 0.787,480 1.288,481 0.778,482 1.025,483 0.489,484 0.915,485 0.782,486 1.035,487 0.875,488 0.942,489 0.439,490 0.917,491 0.872,492 1.135,493 0.993,494 1.125,495 0.649,496 1.083,497 1.012,498 1.037,499 0.997,500 1.025,501 0.933,502 1.012,503 1.17,504 0.915,505 0.908,506 0.846,507 1.055,508 0.843,509 1.22,510 0.912,511 1.032,512 0.903,513 0.814,514 0.927,515 0.802,516 1.063,517 0.977,518 1.093,519 0.618,520 1.063,521 1.26,522 0.809,523 1.056,524 0.872,525 1.121,526 0.928,527 5.5,528 0.112,529 3.333,530 1.507,531 1.423,532 0.844,533 0.495,534 0.466,535 0.3,536 0.136,537 9401,538 23759,539 2.12,540 43.8,541 1,542 13,543 1,545 2,547 4,550 1.699,551 2,552 3.548,553 0.231,554 1,555 1,559 71.991,560 1.5,561 3.831,562 4.663,563 4.903,564 4.903,565 4.903,566 3.056,567 4.385,568 4.723,569 3.665,570 1286.36,571 8.19,572 16609.3,574 1,576 1,577 268.078,578 1.352,579 4.694,580 0.183,581 0.006,582 0.079,583 0.036,584 0.04,585 0.026,586 0.015,587 0.016,588 0.012,589 0.006,590 0.419,591 0.5,592 1,593 0.704,594 134.748,595 -0.05,596 -0.134,597 0.048,598 -0.016,599 0.029,600 0.022,601 0.052,602 0.061,603 0.017,604 0.043,605 0.076,606 0.031,607 -0.019,608 -0.132,609 -0.056,610 -0.128,611 0.058,612 -0.102,613 -0.001,614 -0.09,615 0.004,616 -0.049,617 0.033,618 -0.024,619 -0.048,620 0.029,621 0.123,622 0.113,623 -0.047,624 0.137,625 -0.09,626 0.123,627 -0.046,628 0.035,629 -0.013,630 0.011,631 0.197,632 -0.066,633 -0.012,634 -0.114,635 0.254,636 -0.093,637 -0.139,638 0.151,639 -0.047,640 0.097,641 -0.112,642 0.048,643 1.9,644 5.463,645 0.778,646 25.523,647 0.998,648 1.125,649 2.377,650 5.648,651 0.679,652 3.434,653 3.761,654 4.043,655 4.29,656 4.533,657 4.625,658 4.745,659 4.86,660 4.934,661 4.99,662 6.738,663 0.647,664 359.47,665 3.434,666 4.977,667 5.832,668 6.708,669 7.58,670 8.462,671 9.342,672 10.228,673 11.112,674 12.001,675 10.4,678 1,682 1,683 1,684 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,697 1,702 1,714 48,716 18,717 1,718 30,720 51,721 21,722 13,723 2,724 4,725 1,730 4,731 5,740 2,741 1,743 2,744 1,745 14,746 6,747 1,750 1,755 1,759 1,760 1,761 1,764 21,765 5,766 2,767 6,773 5,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 27,833 4,834 1,837 1,838 1,840 1,843 1,845 1,847 2.1,850 1,854 13.5,855 8.933,856 5.944,857 2.946,858 3.232,859 1.422,860 1.007,861 4.831,862 10.885,863 3.738,864 4.314,865 4.934,866 5.513,867 6.03,868 6.374,869 6.778,870 7.061,871 7.243,872 7.571,873 1,874 42,875 9.971,877 4.275,878 7.741,879 19.179,881 16.059,883 2.241,884 60.5,887 1,888 223.651,889 121.061,890 85.765,892 25.145,895 121.061,896 248.796,897 85.765,898 8.396,899 27.291,900 65.905,901 63.237,902 62.67,903 16.243,904 211.88,906 223.651,907 206.827,908 25.145,911 176.567,912 72.229,915 80.405,916 109.636,917 16.786,919 223.651,920 110.91,921 121.061,924 223.651,925 30.158,926 77.426,927 51.398,928 72.99,929 223.651,930 110.91,931 121.061,933 0.583,934 0.344,935 0.178,936 0.099,937 21,938 9,939 0.059,940 3,941 1,942 1.095,943 3.951,944 231.293,945 0.095,946 21,947 120.382,951 17.576,952 7.422,953 3.673,954 1.919,955 94.125,956 12.374,957 4.699,958 3.302,961 2.792,963 34.796,964 455.622,965 41,970 12.463,974 -0.234,975 47.905,976 54.023,977 0.269,978 0.686,979 0.835,980 0.878,981 0.878,982 0.878,983 4.984,984 1.334,985 5.814,986 4.362,987 4.443,988 5.001,989 2.524,990 6.616,991 4.391,992 6.192,993 1.123,994 7.368,995 3.472,996 4.007,997 4.783,998 0.325,999 7.496,1000 3.942,1001 7.498,1002 1,1003 9.019,1004 2.966,1005 6.033,1006 7.212,1007 3.644,1008 10.577,1009 5.938,1010 8.837,1011 1,1012 10.726,1013 2.275,1014 6.415,1015 7.875,1016 0.268,1017 12.299,1018 6.312,1019 10.209,1020 0.629,1021 12.47,1022 2.275,1023 7.897,1024 9.754,1025 4.984,1026 14.904,1027 7.767,1028 11.603,1029 0.476,1030 14.241,1031 1.525,1032 8.658,1033 10.839,1034 0.188,1035 16.992,1036 8.52,1037 13.017,1038 -0.092,1039 16.032,1040 0.737,1041 9.92,1042 12.492,1043 6.383,1044 19.442,1045 9.758,1046 3.174,1047 -0.296,1048 17.839,1049 -0.216,1050 10.868,1051 13.788,1052 0.125,1053 21.696,1054 10.694,1055 2.846,1056 10.946,1057 19.659,1058 -0.707,1059 12.042,1060 15.347,1061 7.799,1062 24.096,1063 11.846,1064 2.599,1065 8.729,1066 21.491,1067 4.52,1068 13.083,1069 16.748,1070 0.082,1071 26.424,1072 12.871,1073 2.419,1074 7.871,1075 23.332,1076 3.802,1077 14.224,1078 18.268,1079 9.218,1080 28.811,1081 13.99,1082 2.24,1083 6.863,1084 25.181,1085 3.268,1086 15.312,1087 19.721,1088 0.054,1089 31.172,1090 15.058,1091 2.078,1092 6.453,1093 27.037,1094 3.071,1095 16.444,1096 21.228,1097 10.638,1098 33.558,1099 16.168,1100 1.502,1101 5.997,1102 28.899,1103 2.818,1104 17.557,1105 22.706,1106 0.035,1107 35.934,1108 17.259,1109 8916,1110 14340,1111 20.285,1112 32.574,1113 46.58,1114 48.457,1115 46.451,1116 44.844,1117 44.838,1118 59.203,1119 7.786,1120 128.943,1121 43.631,1122 5.587,1123 6.057,1124 6.27,1125 5.212,1126 5.174,1127 7.52,1128 4.069,1129 18.077,1130 5.1,1131 11.98,1132 1.553,1133 1.615,1134 1.548,1135 1.495,1136 1.495,1137 1.973,1138 0.26,1139 4.298,1140 1.454,1141 4.134,1142 4.175,1143 4.096,1144 4.02,1145 7.429,1146 4.034,1147 3.933,1148 3.956,1149 3.886,1150 3.871,1151 6.82,1152 3.87,1153 3.806,1154 3.874,1155 3.686,1156 3.653,1157 5.04,1158 3.652,1159 3.502,1160 3.557,1161 3.45,1162 3.312,1163 4.66,1164 3.335,1165 3.298,1166 3.352,1167 3.233,1168 3.145,1169 4.42,1170 3.162,1171 3.181,1172 3.262,1173 3.029,1174 2.961,1175 4.318,1176 2.962,1177 3.111,1178 3.206,1179 2.895,1180 2.941,1181 3.913,1182 2.91,1183 2.978,1184 3.04,1185 2.866,1186 2.747,1187 3.711,1188 2.775,1189 0.153,1190 0.135,1191 0.224,1192 0.138,1193 0.106,1194 4.587,1195 0.151,1196 4.057,1197 0.068,1198 6.719,1199 0.365,1200 4.15,1201 0.103,1202 3.174,1203 4.52,1204 2.035,1205 10.946,1206 3.1,1207 1.936,1208 1.91,1209 2.069,1210 2.06,1211 1.436,1212 2.062,1213 1.9,1214 1.868,1215 2.013,1216 2.012,1217 1.088,1218 2.014,1219 1.803,1220 1.751,1221 1.919,1222 1.956,1223 1.019,1224 1.952,1225 1.453,1226 1.385,1227 1.659,1228 1.686,1229 0.825,1230 1.678,1231 1.298,1232 1.266,1233 1.513,1234 1.535,1235 0.807,1236 1.516,1237 1.154,1238 1.066,1239 1.494,1240 1.402,1241 0.558,1242 1.429,1243 1.153,1244 1.064,1245 1.352,1246 1.376,1247 0.383,1248 1.408,1249 0.999,1250 0.939,1251 1.181,1252 1.198,1253 0.272,1254 1.189,1255 4.111,1257 5.434,1258 2.398,1259 6.952,1260 4.727,1261 8.553,1262 6.843,1263 10.197,1265 2.153,1271 4.416,1272 2.86,1275 0.493,1276 2.349,1278 8.864,1279 2.05,1280 31.036,1281 71.991,1282 183.897,1283 223.814,1284 235.323,1285 235.323,1286 235.323,1287 43.147,1288 7.653,1289 84.81,1290 84.81,1291 23,1292 12.532,1293 4.248,1294 3.585,1295 40.333,1296 109,1297 122,1298 0.181,1299 191.33,1300 327.11,1301 458.605,1302 22774,1304 18.803,1305 0.696,1306 0.563,1307 18.803,1308 15.197,1309 13.135,1310 0.438,1311 0.304,1312 9.012,1313 12.723,1314 8.794,1315 7.289,1316 13.135,1317 9.119,1318 11.766,1319 0.28,1320 0.168,1321 11.766,1322 7.058,1323 10.222,1324 0.183,1325 0.093,1326 10.222,1327 5.228,1328 8.26,1329 0.115,1330 0.05,1331 8.26,1332 3.605,1333 6.718,1334 0.073,1335 0.028,1336 6.718,1337 2.605,1338 0.287,1339 81.711,1340 0.222,1341 26.098,1342 0.489,1343 144,1344 387.337,1345 154.54,1346 385.912,1347 528.8,1348 360,1349 170,1350 389.848,1351 181.18,1352 400.385,1353 581.29,1354 376,1355 6.42} {0 CHEMBL104496,1 1.664,2 11.407,3 4.745,4 22.518,5 108.509,6 8.582,7 0.533,8 3.96,9 4.077,10 3.649,11 3.552,12 5.033,13 3.522,14 4.512,15 4.681,16 4.062,17 3.983,18 5.566,19 3.927,20 4.792,21 4.992,22 4.139,23 4.139,24 5.808,25 4.04,26 4.86,27 5.095,28 4.177,29 4.075,30 5.955,31 3.959,32 4.738,33 4.994,34 3.83,35 3.904,36 5.701,37 3.799,38 4.567,39 4.791,40 3.917,41 3.826,42 5.677,43 3.751,44 4.497,45 4.708,46 3.778,47 3.809,48 5.534,49 3.705,50 4.489,51 4.726,52 3.713,53 3.727,54 5.497,55 3.612,56 0.045,57 0.695,58 7.891,59 3.961,60 5.829,61 5.123,62 0.218,63 1.144,64 17.083,65 7.06,66 18.728,67 9.324,68 0.29,69 1.386,70 28.72,71 10.258,72 33.472,73 13.429,74 0.548,75 1.406,76 38.091,77 11.115,78 67.889,79 14.758,80 0.387,81 1.278,82 29.794,83 9.517,84 45.344,85 12.806,86 0.461,87 1.126,88 22.865,89 7.213,90 44.774,91 9.628,92 0.244,93 1.023,94 21.344,95 7.559,96 29.084,97 10.069,98 0.356,99 0.965,100 23.081,101 7.394,102 38.418,103 9.72,104 17,105 43,106 0.283,107 0.654,108 0.805,109 0.855,110 0.855,111 0.855,112 3.34,113 0.97,114 -4.94,115 -4.85,116 -4.54,119 42.6,121 2,122 1,124 1,125 2,140 5,141 2,142 2,144 1,145 1,149 1,150 1,156 1,169 6,172 5,174 2,176 4,178 10,182 4,184 1,186 4,189 4,192 1,193 8,197 6,199 6,203 2,207 1,208 1,211 5,214 1,215 5,218 1,220 3,222 7,226 2,229 1,231 1,233 5,237 4,240 1,242 1,244 7,254 3,256 6,259 1074,260 18.102,261 18.102,262 18.102,263 18.102,264 18.102,265 16.076,266 22.089,267 10.455,268 18.605,269 14.787,270 14.787,271 14.787,272 14.787,273 14.787,274 11.674,275 27.155,276 4.975,277 15.683,278 3.891,279 1.705,280 0.816,281 0.527,282 0.527,283 0.527,284 4.035,285 2,288 1,289 1,290 671,291 2.915,294 62.002,295 242.326,298 109.94,302 1.682,303 25.491,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57.667,315 308,316 4.587,317 3.628,318 6.719,319 4.15,320 3.174,321 4.52,322 1.058,323 10.947,324 3.1,325 4.352,326 3.297,327 6.408,328 3.954,329 2.99,330 3.989,331 0.8,332 9.73,333 2.872,334 3.839,335 3.059,336 5.778,337 3.572,338 2.611,339 3.224,341 7.911,342 2.512,343 3.672,344 2.783,345 5.363,346 3.326,347 2.399,348 2.975,350 6.917,351 2.2,352 3.506,353 2.65,354 5.074,355 3.134,356 2.207,357 2.806,359 6.09,360 2.021,361 3.296,362 2.526,363 5.031,364 3.004,365 2.077,366 2.391,368 5.981,369 1.887,370 3.079,371 2.232,372 4.586,373 2.562,374 1.677,375 2.237,377 4.499,378 1.453,379 2.849,380 1.574,381 4.538,382 2.471,383 1.502,384 1.955,386 4.337,387 1.37,388 2.667,389 1.522,390 3.975,391 2.169,392 1.203,393 1.7,395 3.121,396 1.138,397 2.542,398 1.18,399 3.835,400 2.075,401 1.103,402 1.546,404 2.861,405 1.063,406 2.042,407 1.077,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.756,417 3.243,418 1.585,419 0.625,420 0.863,422 1.527,423 0.597,424 1.274,425 0.568,426 2.857,427 0.915,428 0.016,429 0.019,431 0.04,432 0.013,433 1.203,434 0.356,435 2.488,436 0.757,437 -0.169,438 -0.193,440 -0.38,441 -0.149,442 0.842,443 0.256,444 2.359,445 0.625,446 -0.346,447 -0.442,449 -0.838,450 -0.293,451 13.362,452 0.495,453 0.75,454 0.028,455 34,456 1.259,457 16,458 0.593,459 18,460 0.667,461 23.831,462 0.883,463 28.638,464 0.609,465 24.181,466 0.896,467 6.453,468 0.239,469 6.555,470 0.243,471 0.169,473 0.367,479 0.702,480 1.33,481 0.563,482 0.889,483 0.544,484 0.853,485 0.726,486 1.076,487 0.631,488 0.81,489 0.49,490 0.843,491 0.92,492 1.137,493 0.896,494 1.032,495 0.818,496 1.036,497 0.758,498 1.059,499 0.73,500 0.981,501 0.79,502 0.972,503 0.976,504 0.965,505 0.69,506 0.817,507 1.076,508 0.843,509 0.821,510 0.893,511 0.67,512 0.836,513 0.797,514 0.876,515 0.832,516 1.127,517 0.839,518 1.023,519 0.797,520 1.036,521 1.07,522 0.799,523 0.816,524 0.805,525 1.205,526 0.885,527 6,528 0.137,529 3.556,530 2.069,531 1.494,532 0.893,533 0.495,534 0.482,535 0.357,536 0.201,537 9121,538 26373,539 2.097,540 42.6,541 1,542 12,543 1,545 2,547 4,550 1.7,551 1.952,552 3.471,553 0.267,559 78.189,560 1.664,561 3.85,562 4.738,563 5.028,564 5.028,565 5.028,566 2.904,567 4.329,568 4.727,569 3.597,570 1262.44,571 8.2,572 16137.4,574 1,577 261.066,578 1.447,579 4.681,580 0.2,581 0.008,582 0.083,583 0.048,584 0.039,585 0.027,586 0.015,587 0.016,588 0.014,589 0.008,590 0.458,591 0.33,592 1,593 0.584,594 133.993,595 -0.06,596 -0.142,597 0.012,598 -0.011,599 -0.028,600 0.02,601 0.022,602 0.057,603 0.044,604 0.084,605 0.108,606 0.059,607 -0.066,608 -0.114,609 -0.045,610 -0.081,611 0.006,612 -0.079,613 0.19,614 -0.093,615 0.159,616 -0.021,617 0.224,618 0.01,619 -0.05,620 0.015,621 0.07,622 0.108,623 -0.046,624 0.129,625 0.138,626 0.184,627 0.08,628 0.052,629 0.128,630 0.039,631 -0.001,632 -0.11,633 -0.032,634 -0.082,635 0.008,636 -0.076,637 -0.064,638 0.188,639 0.041,640 0.14,641 -0.098,642 0.082,643 1.972,644 5.551,645 0.778,646 23.844,647 1.007,648 1.124,649 3.711,650 13.771,651 0.703,652 3.434,653 3.784,654 4.06,655 4.331,656 4.543,657 4.635,658 4.718,659 4.883,660 4.956,661 5.03,662 6.5,663 0.664,664 403.34,665 3.434,666 4.99,667 5.849,668 6.737,669 7.611,670 8.503,671 9.384,672 10.278,673 11.162,674 12.058,675 8.5,678 1,682 1,683 1,685 1,687 2,688 6,689 1,690 1,693 5,695 16,702 1,713 2,714 47,716 17,717 1,718 30,720 50,721 20,722 13,723 3,724 3,725 1,730 4,731 5,732 2,740 2,741 1,743 2,745 14,746 6,747 1,750 1,755 1,759 1,764 20,765 4,766 2,767 7,768 2,773 4,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,824 2,827 27,833 4,834 1,837 1,838 1,846 2,847 2.1,850 1,854 13.833,855 8.686,856 5.806,857 2.856,858 3.076,859 1.402,860 1.01,861 5.307,862 10.73,863 3.689,864 4.314,865 4.912,866 5.513,867 6.009,868 6.328,869 6.667,870 7.076,871 7.236,872 7.576,873 0.875,874 43,875 9.988,877 4.32,878 7.718,879 19.192,881 16.175,883 2.218,884 59.889,887 1,888 211.88,889 98.799,890 54.706,891 78.297,892 25.145,895 98.799,896 315.322,897 54.706,898 8.396,899 27.291,900 56.429,901 46.635,902 35.426,903 16.243,904 200.109,905 78.297,906 211.88,907 153.505,908 25.145,909 78.297,911 164.795,912 72.229,915 49.345,916 87.374,917 95.083,919 211.88,920 79.851,921 177.096,924 211.88,925 33.974,926 67.949,927 34.796,928 120.228,929 211.88,930 79.851,931 177.096,933 0.592,934 0.345,935 0.184,936 0.099,937 22,938 10,939 0.06,940 3,941 1,942 1.095,943 3.885,944 234.649,945 0.095,946 21,947 124.382,951 18.603,952 7.702,953 3.932,954 1.899,955 63.066,956 10.593,957 4.696,958 3.3,961 2.902,963 34.796,964 468.827,965 39,970 12.551,974 -0.306,975 47.334,976 52.827,977 0.299,978 0.693,979 0.853,980 0.905,981 0.905,982 0.905,983 4.942,984 1.502,985 5.849,986 4.499,987 4.466,988 5.001,989 1.435,990 6.671,991 4.358,992 6.157,993 1.203,994 7.418,995 4.337,996 4.111,997 4.89,998 0.325,999 7.582,1000 3.918,1001 7.473,1002 1.103,1003 9.082,1004 3.121,1005 6.075,1006 7.232,1007 1.379,1008 10.68,1009 5.895,1010 8.823,1011 1,1012 10.802,1013 2.861,1014 6.509,1015 7.955,1016 0.268,1017 12.424,1018 6.274,1019 10.206,1020 0.625,1021 12.56,1022 2.275,1023 7.965,1024 9.796,1025 1.406,1026 15.047,1027 7.729,1028 11.612,1029 0.016,1030 14.343,1031 1.527,1032 8.764,1033 10.917,1034 0.188,1035 17.147,1036 8.493,1037 13.037,1038 -0.169,1039 16.147,1040 0.04,1041 10.018,1042 12.554,1043 1.462,1044 19.605,1045 9.736,1046 3.174,1047 -0.346,1048 17.967,1049 -0.38,1050 10.992,1051 13.869,1052 0.125,1053 21.859,1054 10.683,1055 2.99,1056 10.947,1057 19.799,1058 -0.838,1059 12.166,1060 15.419,1061 1.533,1062 24.26,1063 11.84,1064 2.611,1065 9.73,1066 21.642,1067 4.52,1068 13.223,1069 16.828,1070 0.082,1071 26.581,1072 12.873,1073 2.399,1074 7.911,1075 23.493,1076 3.989,1077 14.367,1078 18.343,1079 1.613,1080 28.963,1081 13.998,1082 2.207,1083 6.917,1084 25.351,1085 3.224,1086 15.465,1087 19.796,1088 0.054,1089 31.315,1090 15.072,1091 2.077,1092 6.09,1093 27.215,1094 2.975,1095 16.6,1096 21.298,1097 1.698,1098 33.692,1099 16.186,1100 1.677,1101 5.981,1102 29.083,1103 2.806,1104 17.717,1105 22.774,1106 0.035,1107 36.059,1108 17.28,1109 8659,1110 14979,1111 19.997,1112 33.046,1113 45.662,1114 46.763,1115 47.13,1116 45.491,1117 45.17,1118 58.447,1119 3.717,1120 132.475,1121 42.414,1122 5.587,1123 5.628,1124 6.133,1125 5.214,1126 5.174,1127 7.52,1128 2.117,1129 18.078,1130 5.1,1131 13.579,1132 1.522,1133 1.559,1134 1.571,1135 1.516,1136 1.506,1137 1.948,1138 0.124,1139 4.416,1140 1.414,1141 4.134,1142 4.175,1143 4.123,1144 4.02,1145 7.429,1146 4.034,1147 3.923,1148 3.935,1149 4.065,1150 3.874,1151 5.046,1152 3.867,1153 3.805,1154 3.873,1155 3.689,1156 3.653,1157 4.996,1158 3.652,1159 3.485,1160 3.542,1161 3.611,1162 3.3,1163 4.624,1164 3.318,1165 3.257,1166 3.329,1167 3.434,1168 3.076,1169 4.423,1170 3.087,1171 3.14,1172 3.206,1173 3.202,1174 2.942,1175 4.32,1176 2.937,1177 3.111,1178 3.191,1179 3.017,1180 2.941,1181 4.071,1182 2.91,1183 2.879,1184 2.922,1185 2.866,1186 2.797,1187 3.912,1188 2.77,1189 0.153,1190 0.121,1191 0.224,1192 0.138,1193 0.106,1194 4.587,1195 0.151,1196 3.628,1197 0.035,1198 6.719,1199 0.365,1200 4.15,1201 0.103,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.1,1207 1.927,1208 1.9,1209 2.068,1210 2.058,1211 1.436,1212 2.061,1213 1.882,1214 1.859,1215 1.955,1216 2,1217 1.076,1218 1.996,1219 1.8,1220 1.75,1221 1.903,1222 1.929,1223 1.017,1224 1.933,1225 1.453,1226 1.385,1227 1.659,1228 1.684,1229 0.825,1230 1.677,1231 1.248,1232 1.207,1233 1.513,1234 1.509,1235 0.807,1236 1.503,1237 1.153,1238 1.064,1239 1.493,1240 1.376,1241 0.558,1242 1.429,1243 1.127,1244 1.044,1245 1.311,1246 1.376,1247 0.377,1248 1.376,1249 0.921,1250 0.876,1251 1.143,1252 1.104,1253 0.264,1254 1.126,1255 4.111,1257 5.451,1258 2.398,1259 6.98,1260 4.727,1261 8.594,1262 6.843,1263 10.252,1265 2.152,1266 12.032,1271 4.399,1272 2.838,1275 0.485,1276 2.348,1280 31.197,1281 78.189,1282 180.927,1283 222.701,1284 236.311,1285 236.311,1286 236.311,1287 45.386,1288 7.653,1289 61.02,1290 61.02,1291 23,1292 12.585,1293 4.17,1294 3.322,1295 40.271,1296 106,1297 105,1298 0.187,1299 197.464,1300 334.51,1301 473.571,1302 22606,1303 4.3,1304 18.966,1305 0.702,1306 0.609,1307 19.966,1308 16.44,1309 13.008,1310 0.434,1311 0.323,1312 8.9,1313 12.038,1314 8.623,1315 7.099,1316 13.585,1317 9.696,1318 12.137,1319 0.282,1320 0.182,1321 12.916,1322 7.836,1323 10.177,1324 0.179,1325 0.1,1326 10.771,1327 5.675,1328 8.611,1329 0.115,1330 0.054,1331 9.388,1332 4.072,1333 6.668,1334 0.072,1335 0.03,1336 6.998,1337 2.759,1338 0.294,1339 86.944,1340 0.224,1341 25.921,1342 0.512,1343 146,1344 404.098,1345 186.885,1346 456.144,1347 605.47,1348 424,1349 173,1350 401.165,1351 204.983,1352 428.57,1353 629.04,1354 403,1355 7.081} {0 CHEMBL104692,1 1.634,2 12.179,3 3.311,4 10.962,5 106.224,6 7.744,7 0.516,8 4.009,9 4.132,10 3.608,11 3.526,12 5.16,13 3.52,14 4.55,15 4.72,16 3.974,17 3.948,18 5.756,19 3.92,20 4.821,21 5.03,22 4.014,23 4.094,24 5.892,25 4.028,26 4.921,27 5.163,28 3.915,29 4.045,30 6.02,31 3.958,32 4.795,33 5.051,34 3.785,35 3.894,36 5.821,37 3.812,38 4.585,39 4.815,40 3.744,41 3.801,42 5.639,43 3.739,44 4.556,45 4.766,46 3.748,47 3.766,48 5.906,49 3.701,50 4.533,51 4.777,52 3.527,53 3.683,54 5.558,55 3.595,56 0.153,57 0.77,58 9.455,59 4.088,60 9.658,61 5.425,62 0.346,63 1.233,64 18.254,65 7.058,66 49.003,67 9.624,68 0.316,69 1.497,70 25.79,71 9.565,72 39.51,73 13.353,74 0.531,75 1.496,76 31.46,77 10.246,78 76.448,79 14.621,80 0.504,81 1.313,82 28.589,83 8.816,84 71.891,85 12.791,86 0.415,87 1.168,88 21.324,89 6.892,90 36.058,91 9.873,92 0.546,93 1.093,94 20.505,95 7,96 89.378,97 10.019,98 0.407,99 1.025,100 21.374,101 6.932,102 51.381,103 9.757,104 18,105 44,106 0.273,107 0.645,108 0.781,109 0.821,110 0.821,111 0.821,112 3.374,113 0.894,114 -4.05,115 -4,116 -3.79,119 40.8,121 2,122 1,124 1,125 2,140 6,141 2,142 1,144 1,145 1,149 1,150 1,156 1,164 2,169 8,171 1,172 7,174 2,176 4,178 7,182 11,184 1,186 5,189 3,192 1,193 12,197 5,199 3,203 5,207 1,208 1,211 6,214 2,215 3,218 2,220 2,222 7,225 2,226 2,229 3,231 1,233 5,236 1,237 4,240 1,242 2,244 6,248 2,249 3,254 2,256 6,259 1246,260 18.809,261 18.809,262 18.809,263 18.809,264 18.809,265 16.584,266 23.84,267 10.886,268 19.122,269 15.27,270 15.27,271 15.27,272 15.27,273 15.27,274 11.849,275 29.897,276 5.157,277 15.75,278 3.98,279 1.759,280 0.944,281 0.709,282 0.709,283 0.709,284 4.07,287 1,288 1,289 1,290 740,291 3.317,294 67.126,295 258.227,298 118.948,302 1.847,303 32.28,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.5,315 341,316 4.587,317 3.779,318 6.719,319 4.15,320 3.174,321 4.52,322 2.612,323 10.946,324 3.1,325 4.294,326 3.571,327 6.083,328 3.872,329 2.879,330 3.981,331 1.058,332 8.787,333 2.858,334 4.052,335 3.295,336 5.876,337 3.627,338 2.659,339 3.517,340 0.8,341 8.059,342 2.572,343 3.783,344 2.783,345 5.769,346 3.533,347 2.561,348 3.152,350 7.832,351 2.489,352 3.556,353 2.54,354 5.244,355 3.219,356 2.276,357 2.835,359 6.596,360 2.142,361 3.298,362 2.303,363 5.033,364 3.038,365 2.093,366 2.391,368 5.998,369 1.971,370 3.148,371 2.214,372 4.548,373 2.517,374 1.512,375 2.352,377 4.364,378 1.513,379 2.85,380 1.686,381 4.176,382 2.47,383 1.501,384 1.956,386 3.736,387 1.451,388 2.656,389 1.522,390 3.957,391 2.112,392 1.157,393 1.636,395 3.028,396 1.102,397 2.537,398 1.18,399 3.675,400 2.019,401 1.014,402 1.516,404 2.574,405 1.014,406 2.5,407 1.077,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.04,416 1,417 3.414,418 1.984,419 1,420 1,422 2.275,423 0.983,424 2,425 1,426 3.239,427 1.58,428 0.618,429 0.858,431 1.512,432 0.593,433 1.217,434 0.75,435 2.767,436 0.88,437 -0.086,438 -0.1,440 -0.207,441 -0.082,442 1,443 0.427,444 2.486,445 0.671,446 -0.29,447 -0.332,449 -0.71,450 -0.277,451 13,452 0.464,453 0.75,454 0.027,455 37.75,456 1.348,457 19,458 0.679,459 18.75,460 0.67,461 21.462,462 0.767,463 30.2,464 0.616,465 28.453,466 1.016,467 7.319,468 0.261,469 6.189,470 0.221,471 0.115,473 0.369,479 0.52,480 1.307,481 0.726,482 1.036,483 0.482,484 0.936,485 0.588,486 1.114,487 0.818,488 0.992,489 0.376,490 0.945,491 0.719,492 1.18,493 0.945,494 1.16,495 0.54,496 1.101,497 0.94,498 1.035,499 0.993,500 1.033,501 0.869,502 1.023,503 0.973,504 0.94,505 0.91,506 0.87,507 0.93,508 0.874,509 0.775,510 0.878,511 0.971,512 0.919,513 0.627,514 0.955,515 0.527,516 1.091,517 0.916,518 1.086,519 0.456,520 1.073,521 0.974,522 0.811,523 1.028,524 0.901,525 0.933,526 0.958,527 6,528 0.12,529 3.778,530 1.757,531 1.463,532 0.907,533 0.576,534 0.466,535 0.35,536 0.156,537 10384,538 29746,539 2.094,540 42.9,541 1,542 13,543 1,545 2,547 4,550 1.708,551 1.953,552 3.57,553 0.282,554 1,555 1,559 80.079,560 1.634,561 3.856,562 4.671,563 4.905,564 4.905,565 4.905,566 3.071,567 4.28,568 4.776,569 3.718,570 1405.33,571 8.293,572 18749.7,574 1,576 1,577 275.121,578 1.432,579 4.736,580 0.194,581 0.006,582 0.086,583 0.04,584 0.038,585 0.027,586 0.017,587 0.015,588 0.013,589 0.006,590 0.442,591 0.33,592 1,593 0.744,594 141.775,595 0.128,596 -0.076,597 0.057,598 0.018,599 0.008,600 0.017,601 0.123,602 0.025,603 0.037,604 0.032,605 0.2,606 0.024,607 -0.023,608 -0.139,609 -0.039,610 -0.143,611 0.062,612 -0.1,613 -0.051,614 -0.089,615 -0.003,616 -0.05,617 0.006,618 -0.02,619 -0.07,620 -0.008,621 0.104,622 0.097,623 -0.063,624 0.129,625 0.011,626 0.181,627 -0.025,628 0.035,629 -0.022,630 0.009,631 0.347,632 -0.074,633 0.031,634 -0.097,635 0.365,636 -0.093,637 -0.087,638 0.154,639 -0.039,640 0.074,641 -0.098,642 0.037,643 2.492,644 5.458,645 0.75,646 27.714,647 1.011,648 1.131,649 2.82,650 7.951,651 0.663,652 3.466,653 3.807,654 4.078,655 4.317,656 4.554,657 4.663,658 4.796,659 4.875,660 4.963,661 5.017,662 6.989,663 0.642,664 379.46,665 3.466,666 5.017,667 5.872,668 6.751,669 7.623,670 8.507,671 9.386,672 10.272,673 11.156,674 12.045,675 10.2,678 1,682 1,683 1,685 1,686 1,687 2,688 7,689 1,690 1,693 4,695 16,702 1,708 1,714 49,716 19,717 1,718 31,720 52,721 20,722 13,723 2,724 4,725 1,730 4,731 5,740 2,741 1,743 2,745 14,746 6,747 1,750 3,752 1,755 3,759 1,760 1,761 1,764 21,765 6,766 2,767 8,773 5,777 0.75,778 3,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 28,833 4,834 1,837 1,838 1,847 6.1,850 1,853 2,854 14.333,855 9.017,856 6.056,857 2.95,858 3.233,859 1.418,860 0.995,861 5.117,862 10.968,863 3.761,864 4.379,865 4.955,866 5.531,867 6.046,868 6.402,869 6.817,870 7.066,871 7.257,872 7.586,873 1,874 44,875 10.364,877 4.51,878 7.929,879 19.601,881 16.393,883 2.429,884 68,886 1,887 1,888 223.651,889 104.03,890 60.376,892 75.892,895 104.03,896 299.543,897 60.376,898 14.066,899 27.291,900 65.905,901 46.635,902 31.182,903 16.243,904 211.88,905 50.747,906 223.651,907 164.407,908 75.892,911 176.567,912 72.229,913 50.747,915 49.345,916 92.606,917 22.456,919 223.651,920 136.268,921 104.03,924 223.651,925 29.729,926 83.096,927 34.796,928 92.677,929 223.651,930 136.268,931 104.03,933 0.591,934 0.342,935 0.174,936 0.095,937 22,938 10,939 0.077,940 4,941 1,942 1.095,943 4.009,944 242.918,945 0.095,946 21,947 124.606,951 18.603,952 7.702,953 3.939,954 1.832,955 113.812,956 11.187,957 4.656,958 3.273,961 1.947,963 34.796,964 463.949,965 42,967 -0.492,970 33.942,974 -0.349,975 49.56,976 55.441,977 0.291,978 0.687,979 0.832,980 0.874,981 0.874,982 0.874,983 5.004,984 1.501,985 5.866,986 4.364,987 4.489,988 5.066,989 2.734,990 6.676,991 4.432,992 6.219,993 1.157,994 7.43,995 3.736,996 4.111,997 4.966,998 2.396,999 7.576,1000 4.031,1001 7.534,1002 1.014,1003 9.089,1004 3.028,1005 6.089,1006 7.299,1007 4.2,1008 10.65,1009 5.981,1010 8.885,1011 1,1012 10.804,1013 2.574,1014 6.509,1015 8.037,1016 4.51,1017 12.377,1018 6.385,1019 10.267,1020 1,1021 12.555,1022 2.275,1023 7.967,1024 9.86,1025 5.956,1026 14.973,1027 7.818,1028 11.672,1029 0.618,1030 14.332,1031 2.275,1032 8.748,1033 10.984,1034 6.556,1035 17.056,1036 8.587,1037 13.094,1038 -0.086,1039 16.126,1040 1.512,1041 9.999,1042 12.607,1043 7.796,1044 19.496,1045 9.814,1046 3.174,1047 -0.29,1048 17.936,1049 -0.207,1050 10.955,1051 13.918,1052 8.548,1053 21.741,1054 10.756,1055 2.879,1056 10.946,1057 19.756,1058 -0.71,1059 12.121,1060 15.458,1061 9.67,1062 24.134,1063 11.901,1064 2.659,1065 8.787,1066 21.587,1067 4.52,1068 13.163,1069 16.861,1070 10.509,1071 26.454,1072 12.926,1073 2.561,1074 8.059,1075 23.426,1076 3.981,1077 14.298,1078 18.369,1079 11.563,1080 28.835,1081 14.041,1082 2.276,1083 7.832,1084 25.271,1085 3.517,1086 15.384,1087 19.817,1088 12.452,1089 31.191,1090 15.107,1091 2.093,1092 6.596,1093 27.123,1094 3.152,1095 16.511,1096 21.315,1097 13.468,1098 33.573,1099 16.214,1100 1.512,1101 5.998,1102 28.981,1103 2.835,1104 17.62,1105 22.787,1106 14.386,1107 35.946,1108 17.302,1109 9884,1110 16981,1111 20.69,1112 32.483,1113 47.377,1114 49.079,1115 48.487,1116 46.915,1117 46.885,1118 62.429,1119 8.942,1120 135.965,1121 45.57,1122 5.587,1123 5.779,1124 6.133,1125 5.212,1126 5.174,1127 7.52,1128 4.612,1129 18.077,1130 5.1,1131 14.205,1132 1.528,1133 1.583,1134 1.564,1135 1.513,1136 1.512,1137 2.014,1138 0.288,1139 4.386,1140 1.47,1141 4.135,1142 4.176,1143 4.097,1144 4.02,1145 7.815,1146 4.034,1147 3.987,1148 4.011,1149 3.951,1150 3.868,1151 7.429,1152 3.877,1153 3.807,1154 3.875,1155 3.689,1156 3.653,1157 6.999,1158 3.652,1159 3.592,1160 3.623,1161 3.568,1162 3.311,1163 5.04,1164 3.347,1165 3.41,1166 3.458,1167 3.339,1168 3.144,1169 4.661,1170 3.196,1171 3.218,1172 3.308,1173 3.08,1174 2.962,1175 4.42,1176 2.972,1177 3.111,1178 3.206,1179 2.955,1180 2.941,1181 4.318,1182 2.91,1183 3.071,1184 3.113,1185 2.866,1186 2.753,1187 3.913,1188 2.816,1189 0.148,1190 0.122,1191 0.217,1192 0.134,1193 0.102,1194 4.587,1195 0.146,1196 3.779,1197 0.084,1198 6.719,1199 0.353,1200 4.15,1201 0.1,1202 3.174,1203 4.52,1204 2.612,1205 10.946,1206 3.1,1207 1.94,1208 1.914,1209 2.069,1210 2.093,1211 1.436,1212 2.068,1213 1.903,1214 1.87,1215 2.017,1216 2.047,1217 1.097,1218 2.045,1219 1.803,1220 1.751,1221 1.92,1222 1.981,1223 1.02,1224 1.965,1225 1.453,1226 1.385,1227 1.659,1228 1.724,1229 0.825,1230 1.68,1231 1.326,1232 1.301,1233 1.513,1234 1.67,1235 0.808,1236 1.607,1237 1.165,1238 1.08,1239 1.495,1240 1.469,1241 0.558,1242 1.471,1243 1.153,1244 1.064,1245 1.371,1246 1.376,1247 0.389,1248 1.429,1249 1.026,1250 0.969,1251 1.197,1252 1.334,1253 0.281,1254 1.307,1255 4.143,1257 5.476,1258 2.398,1259 6.999,1260 4.727,1261 8.601,1262 6.843,1263 10.246,1265 2.134,1271 4.302,1272 2.784,1275 0.457,1276 2.328,1280 31.466,1281 80.079,1282 188.94,1283 228.856,1284 240.366,1285 240.366,1286 240.366,1287 52.54,1288 7.735,1289 106.84,1290 106.84,1291 23,1292 12.576,1293 4.322,1294 3.585,1295 42.597,1296 117,1297 116,1298 0.177,1299 192.657,1300 330.03,1301 461.844,1302 25329,1304 19.673,1305 0.703,1306 0.554,1307 19.673,1308 15.514,1309 13.508,1310 0.436,1311 0.298,1312 9.091,1313 12.89,1314 8.906,1315 7.366,1316 13.508,1317 9.234,1318 12.496,1319 0.284,1320 0.163,1321 12.496,1322 7.172,1323 10.513,1324 0.181,1325 0.091,1326 10.513,1327 5.292,1328 8.475,1329 0.115,1330 0.049,1331 8.475,1332 3.643,1333 6.812,1334 0.072,1335 0.028,1336 6.812,1337 2.619,1338 0.282,1339 85.492,1340 0.22,1341 26.947,1342 0.475,1343 150,1344 466.808,1345 166.023,1346 450.146,1347 604.7,1348 416,1349 177,1350 447.804,1351 193.333,1352 448.489,1353 650.53,1354 420,1355 6.469} {0 CHEMBL104720,1 1.469,2 9.182,3 2.51,4 6.3,5 86.125,6 6.782,7 0.4,8 3.887,9 4.027,10 3.391,11 3.407,12 4.841,13 3.374,14 4.46,15 4.665,16 3.706,17 3.805,18 5.361,19 3.734,20 4.712,21 4.955,22 3.743,23 3.921,24 5.6,25 3.82,26 4.759,27 5.025,28 3.611,29 3.894,30 5.647,31 3.762,32 4.653,33 4.933,34 3.556,35 3.775,36 5.476,37 3.652,38 4.493,39 4.744,40 3.454,41 3.679,42 5.383,43 3.572,44 4.413,45 4.663,46 3.345,47 3.596,48 5.296,49 3.465,50 4.376,51 4.652,52 3.118,53 3.445,54 5.216,55 3.303,56 0.038,57 0.691,58 10.296,59 3.915,60 5.76,61 5.76,62 0.204,63 1.101,64 19.281,65 6.618,66 18.003,67 10.028,68 0.234,69 1.283,70 25.493,71 8.445,72 25.912,73 12.823,74 0.33,75 1.267,76 27.203,77 8.703,78 42.76,79 13.374,80 0.236,81 1.148,82 24.407,83 7.756,84 27.589,85 12.126,86 0.277,87 1.029,88 20.686,89 6.295,90 24.746,91 9.765,92 0.171,93 0.917,94 18.789,95 6.532,96 23.167,97 9.887,98 0.251,99 0.826,100 18.744,101 5.667,102 24.833,103 8.72,104 5,105 36,106 0.256,107 0.595,108 0.768,109 0.815,110 0.815,111 0.815,112 3.147,113 0.982,114 -3.24,115 -3.23,116 -3.1,119 38.6,121 4,122 2,124 1,125 2,140 2,141 1,144 1,145 1,149 1,150 1,156 1,169 7,172 5,174 2,176 4,178 3,182 5,184 1,186 5,189 1,192 1,193 5,197 3,199 3,203 3,207 1,208 1,211 6,214 1,215 1,218 1,220 2,222 5,226 2,229 1,231 1,233 3,237 3,240 1,242 2,244 4,256 4,259 646,260 15.033,261 15.033,262 15.033,263 15.033,264 15.033,265 13.798,266 20.632,267 8.678,268 15.289,269 12.336,270 12.336,271 12.336,272 12.336,273 12.336,274 10.352,275 26.74,276 4.138,277 12.736,278 3.991,279 2.051,280 1.063,281 0.79,282 0.79,283 0.79,284 3.834,287 1,288 1,289 1,290 449,291 2.739,292 39.868,294 46.996,295 118.785,298 84.97,302 1.488,303 17.1,304 1,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 47,315 202,316 4.587,317 3.736,318 6.719,319 4.15,320 3.174,321 4.52,322 1.907,323 10.946,324 3.1,325 4.058,326 3.296,327 6.117,328 3.904,329 2.902,330 3.306,331 0.8,332 8.904,333 2.904,334 3.773,335 2.785,336 5.773,337 3.563,338 2.596,339 3.033,340 0.149,341 7.88,342 2.511,343 3.539,344 2.551,345 5.264,346 3.252,347 2.312,348 2.798,350 6.681,351 2.172,352 3.296,353 2.331,354 5.033,355 3.054,356 2.109,357 2.391,359 6,360 1.985,361 2.871,362 2.197,363 4.549,364 2.531,365 1.516,366 1.965,368 4.369,369 1.527,370 2.825,371 1.522,372 4.253,373 2.47,374 1.501,375 1.822,377 3.912,378 1.45,379 2.545,380 1.18,381 3.955,382 2.089,383 1.133,384 1.552,386 3.002,387 1.08,388 2.041,389 1.077,390 3.414,391 1.984,392 1,393 1,395 2.275,396 0.983,397 2,398 0.756,399 3.245,400 1.587,401 0.626,402 0.863,404 1.531,405 0.6,406 1.217,407 0.481,408 2.855,409 0.895,410 -0.064,411 -0.073,413 -0.158,414 -0.061,415 0.843,416 0.076,417 2.487,418 0.685,419 -0.273,420 -0.295,422 -0.664,423 -0.26,424 0.692,425 -0.084,426 2.285,427 0.48,428 -0.563,429 -0.663,431 -1.281,432 -0.573,433 0.617,434 -0.594,435 2,436 0.128,437 -0.859,438 -1,440 -2.213,441 -0.846,442 0.476,443 -0.784,444 2,445 0.071,446 -0.895,447 -1,449 -2.674,450 -0.866,451 10.433,452 0.474,453 0.554,454 0.025,455 25,456 1.136,457 10,458 0.455,459 15,460 0.682,461 19.015,462 0.864,463 24.367,464 0.554,465 15.575,466 0.708,467 4.376,468 0.199,469 6.328,470 0.288,471 0.08,473 0.374,479 0.812,480 1.455,481 0.862,482 1.151,483 0.544,484 1.026,485 0.799,486 1.177,487 0.958,488 1.064,489 0.509,490 1.027,491 1.018,492 1.123,493 0.975,494 1.055,495 0.991,496 1.015,497 1.098,498 0.986,499 1.038,500 0.968,501 1.129,502 0.993,503 0.844,504 0.994,505 0.856,506 0.913,507 0.746,508 0.885,509 1.199,510 0.889,511 1.149,512 0.95,513 0.993,514 1.015,515 0.731,516 1.199,517 0.998,518 1.202,519 0.741,520 1.143,521 1.358,522 0.862,523 1.141,524 0.942,525 1.423,526 1.003,527 4.5,528 0.048,529 2.5,530 1.451,531 1.036,532 0.567,533 0.414,534 0.329,535 0.162,536 0.081,537 5329,538 10850,539 2.176,540 50,541 5,542 9,543 1,545 2,546 1,547 4,550 1.645,551 2.063,552 3.205,553 0.304,554 1,555 1,557 1,559 64.621,560 1.469,561 3.408,562 4.397,563 4.67,564 4.67,565 4.67,566 2.704,567 4.096,568 4.428,569 3.324,570 767.757,571 7.611,572 8318.93,574 1,576 1,577 240.215,578 1.322,579 4.403,580 0.18,581 0.007,582 0.076,583 0.044,584 0.037,585 0.021,586 0.017,587 0.016,588 0.01,589 0.007,590 0.415,591 0.67,592 1,593 0.517,594 100.699,595 -0.035,596 -0.176,597 0.07,598 -0.023,599 0.013,600 0.028,601 0.076,602 -0.025,604 -0.029,605 0.1,606 -0.025,607 -0.029,608 -0.091,609 -0.001,610 -0.058,611 -0.014,612 -0.031,613 -0.059,614 -0.01,615 -0.055,616 0.001,617 -0.032,618 -0.023,619 0.032,620 -0.03,621 0.12,622 0.047,623 0.014,624 0.088,625 -0.126,626 0.183,627 -0.158,628 -0.004,629 -0.117,630 -0.068,631 0.107,632 -0.202,633 -0.043,634 -0.19,635 0.069,636 -0.142,637 -0.154,638 0.096,639 -0.137,640 -0.012,641 -0.155,642 -0.062,643 1.553,644 4.907,645 0.818,646 17.793,647 0.993,648 1.135,649 2.008,650 4.03,651 0.644,652 3.258,653 3.611,654 3.85,655 4.111,656 4.317,657 4.431,658 4.575,659 4.727,660 4.762,661 4.745,662 5.448,663 0.603,664 298.43,665 3.258,666 4.812,667 5.68,668 6.569,669 7.453,670 8.346,671 9.236,672 10.132,673 11.025,674 11.922,675 9.1,678 1,682 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 44,716 11,718 25,720 47,721 17,722 7,730 4,731 5,740 4,741 2,743 4,745 8,746 9,747 2,750 1,755 1,759 1,760 1,761 1,764 22,765 4,766 2,767 5,773 4,777 0.75,778 1,786 1,788 1,790 1,792 1,793 2,796 1,805 1,815 1,819 3,823 1,827 22,833 6,834 1,837 2,838 1,847 2.3,850 1,854 10.667,855 7.983,856 4.694,857 2.882,858 2.15,859 1.302,860 1.009,861 3.57,862 9.26,863 3.466,864 4.047,865 4.601,866 5.204,867 5.694,868 6.077,869 6.504,870 6.902,871 6.931,872 7.111,873 1,874 33,875 8.196,877 3.589,878 7.545,879 16.26,881 14.272,883 2.045,884 45,885 0.001,887 1,888 235.422,889 65.252,890 54.706,892 25.145,895 65.252,896 260.567,897 54.706,898 8.396,899 32.36,900 28,901 46.635,902 25.24,903 16.243,904 223.651,906 235.422,907 119.958,908 25.145,911 188.338,912 72.229,915 54.414,916 48.759,917 16.786,919 235.422,920 79.851,921 65.252,924 235.422,925 28.856,926 39.521,927 34.796,928 41.93,929 235.422,930 79.851,931 65.252,933 0.592,934 0.327,935 0.171,936 0.091,937 20,938 8,939 0.064,940 3,941 1,942 1.111,943 3.561,944 178.231,945 0.111,946 18,947 92.107,951 14.073,952 5.581,953 3.008,954 2.071,955 63.066,956 6.001,957 4.703,958 3.324,961 1.976,963 34.796,964 380.525,965 31,970 11.907,974 0.114,975 43.687,976 49.939,977 0.269,978 0.624,979 0.805,980 0.855,981 0.855,982 0.855,983 4.732,984 1.133,985 5.673,986 3.912,987 4.29,988 4.732,989 2.08,990 6.497,991 4.233,992 5.934,993 1,994 7.244,995 3.002,996 4.007,997 4.649,998 1.668,999 7.466,1000 3.942,1001 7.248,1002 0.626,1003 8.911,1004 2.275,1005 5.922,1006 6.922,1007 2.929,1008 10.518,1009 5.818,1010 8.592,1011 -0.064,1012 10.635,1013 1.531,1014 6.399,1015 7.681,1016 3.047,1017 12.285,1018 6.296,1019 9.971,1020 -0.273,1021 12.395,1022 -0.158,1023 7.832,1024 9.489,1025 4.042,1026 14.888,1027 7.697,1028 11.373,1029 -0.563,1030 14.179,1031 -0.664,1032 8.653,1033 10.652,1034 4.412,1035 16.996,1036 8.518,1037 12.794,1038 -0.859,1039 15.983,1040 -1.281,1041 9.897,1042 12.277,1043 5.251,1044 19.448,1045 9.736,1046 3.174,1047 -0.895,1048 17.802,1049 -2.213,1050 10.88,1051 13.631,1052 5.75,1053 21.708,1054 10.713,1055 2.902,1056 10.946,1057 19.632,1058 -2.674,1059 12.049,1060 15.184,1061 6.501,1062 24.11,1063 11.859,1064 2.596,1065 8.904,1066 21.472,1067 4.52,1068 13.109,1069 16.624,1070 7.068,1071 26.438,1072 12.909,1073 2.312,1074 7.88,1075 23.321,1076 3.306,1077 14.25,1078 18.149,1079 7.771,1080 28.825,1081 14.029,1082 2.109,1083 6.681,1084 25.176,1085 3.033,1086 15.349,1087 19.628,1088 8.374,1089 31.185,1090 15.111,1091 1.516,1092 6,1093 27.037,1094 2.798,1095 16.482,1096 21.142,1097 9.051,1098 33.57,1099 16.224,1100 1.501,1101 4.369,1102 28.903,1103 2.391,1104 17.6,1105 22.637,1106 9.674,1107 35.945,1108 17.322,1109 4979,1110 7219,1111 17.107,1112 28.33,1113 38.268,1114 38.759,1115 39.045,1116 37.73,1117 37.739,1118 46.498,1119 5.712,1120 111.002,1121 36.621,1122 5.587,1123 5.736,1124 6.133,1125 5.22,1126 5.174,1127 7.52,1128 3.306,1129 18.077,1130 5.065,1131 8.365,1132 1.531,1133 1.55,1134 1.562,1135 1.509,1136 1.51,1137 1.86,1138 0.228,1139 4.44,1140 1.465,1141 4.134,1142 4.175,1143 4.095,1144 4.019,1145 7.428,1146 4.032,1147 3.909,1148 3.954,1149 3.808,1150 3.795,1151 5.039,1152 3.79,1153 3.803,1154 3.872,1155 3.681,1156 3.651,1157 4.427,1158 3.649,1159 3.448,1160 3.514,1161 3.36,1162 3.275,1163 4.326,1164 3.286,1165 3.22,1166 3.314,1167 3.062,1168 2.983,1169 4.19,1170 2.988,1171 3.111,1172 3.206,1173 2.916,1174 2.941,1175 3.912,1176 2.91,1177 3.046,1178 3.1,1179 2.866,1180 2.801,1181 3.711,1182 2.821,1183 2.795,1184 2.879,1185 2.682,1186 2.529,1187 3.57,1188 2.56,1189 0.183,1190 0.149,1191 0.269,1192 0.166,1193 0.127,1194 4.587,1195 0.181,1196 3.736,1197 0.076,1198 6.719,1199 0.438,1200 4.15,1201 0.124,1202 3.174,1203 4.52,1204 1.907,1205 10.946,1206 3.1,1207 1.918,1208 1.882,1209 2.068,1210 2.054,1211 1.436,1212 2.059,1213 1.808,1214 1.755,1215 1.928,1216 1.986,1217 1.029,1218 1.975,1219 1.455,1220 1.389,1221 1.659,1222 1.7,1223 0.85,1224 1.684,1225 1.405,1226 1.37,1227 1.565,1228 1.624,1229 0.825,1230 1.608,1231 1.159,1232 1.064,1233 1.513,1234 1.423,1235 0.825,1236 1.45,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.805,1242 1.429,1243 1.153,1244 1.064,1245 1.477,1246 1.376,1247 0.558,1248 1.429,1249 0.971,1250 0.908,1251 1.21,1252 1.161,1253 0.347,1254 1.187,1255 3.932,1256 1.946,1257 5.273,1258 3.932,1259 6.806,1260 5.861,1261 8.42,1262 7.745,1263 10.078,1265 2.176,1271 6.636,1272 2.951,1275 0.768,1276 2.375,1280 26.542,1281 64.621,1282 149.973,1283 193.46,1284 205.46,1285 205.46,1286 205.46,1287 31.218,1288 7.111,1289 61.02,1290 61.02,1291 20,1292 12.447,1293 3.585,1294 2.807,1295 29.895,1296 70,1297 73,1298 0.208,1299 160.803,1300 271.01,1301 384.12,1302 10763,1304 15.104,1305 0.687,1306 0.588,1307 15.104,1308 12.932,1309 10.704,1310 0.428,1311 0.327,1312 8.08,1313 10.334,1314 7.902,1315 6.505,1316 10.704,1317 8.179,1318 9.915,1319 0.275,1320 0.185,1321 9.915,1322 6.678,1323 8.087,1324 0.176,1325 0.1,1326 8.087,1327 4.621,1328 6.663,1329 0.111,1330 0.054,1331 6.663,1332 3.21,1333 5.215,1334 0.07,1335 0.03,1336 5.215,1337 2.254,1338 0.321,1339 66.766,1340 0.242,1341 21.639,1342 0.585,1343 122,1344 291.691,1345 131.847,1346 284.984,1347 396.74,1348 268,1349 146,1350 298.439,1351 156.514,1352 303.081,1353 446.22,1354 286,1355 5.745} {0 CHEMBL104753,1 1.607,2 10,3 3.079,4 9.477,5 97.856,6 7.738,7 0.556,8 3.893,9 4.017,10 3.552,11 3.487,12 4.924,13 3.436,14 4.446,15 4.624,16 3.89,17 3.902,18 5.433,19 3.826,20 4.688,21 4.907,22 3.831,23 3.978,24 5.631,25 3.872,26 4.771,27 5.026,28 3.823,29 3.937,30 5.724,31 3.819,32 4.66,33 4.927,34 3.66,35 3.828,36 5.541,37 3.703,38 4.487,39 4.724,40 3.667,41 3.745,42 5.442,43 3.644,44 4.411,45 4.637,46 3.574,47 3.705,48 5.37,49 3.573,50 4.38,51 4.636,52 3.395,53 3.576,54 5.292,55 3.428,56 0.026,57 0.691,58 9.427,59 4.084,60 6.017,61 5.259,62 0.193,63 1.148,64 19.471,65 7.223,66 17.068,67 9.386,68 0.183,69 1.343,70 24.307,71 9.123,72 27.446,73 12.434,74 0.322,75 1.379,76 29.072,77 9.665,78 43.285,79 13.509,80 0.253,81 1.242,82 26.166,83 8.887,84 33.435,85 12.297,86 0.271,87 1.116,88 20.838,89 6.724,90 25.184,91 9.36,92 0.166,93 1.003,94 19.692,95 7.343,96 23.969,97 9.771,98 0.248,99 0.934,100 20.617,101 6.881,102 28.366,103 8.998,104 5,105 38,106 0.277,107 0.663,108 0.819,109 0.845,110 0.845,111 0.845,112 3.229,113 1.017,114 -3.58,115 -3.55,116 -3.39,119 40.9,121 2,122 1,124 1,125 2,140 3,141 2,144 1,145 1,149 3,150 1,156 1,169 5,172 5,174 2,176 4,178 5,182 4,184 1,186 4,189 1,192 1,193 6,197 4,199 3,203 2,207 1,208 1,211 5,214 1,215 2,218 1,220 2,222 5,226 2,229 1,231 1,233 3,237 3,240 1,242 1,244 4,254 1,256 3,259 802,260 16.447,261 16.447,262 16.447,263 16.447,264 16.447,265 14.629,266 18.887,267 9.664,268 16.914,269 13.336,270 13.336,271 13.336,272 13.336,273 13.336,274 10.541,275 24.753,276 4.611,277 14.039,278 3.852,279 1.62,280 0.716,281 0.563,282 0.563,283 0.563,284 3.926,287 1,288 1,289 1,290 529,291 2.739,294 119.404,295 131.341,298 94.302,302 1.583,303 17.504,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 51,315 240,316 4.587,317 3.574,318 6.719,319 4.15,320 3.174,321 4.52,322 1.058,323 10.946,324 3.099,325 4.173,326 3.295,327 6.054,328 3.815,329 2.827,330 3.709,331 0.8,332 8.703,333 2.788,334 3.797,335 2.783,336 5.771,337 3.555,338 2.589,339 3.174,341 7.865,342 2.504,343 3.571,344 2.54,345 5.249,346 3.236,347 2.301,348 2.844,350 6.626,351 2.15,352 3.3,353 2.268,354 5.033,355 3.048,356 2.107,357 2.392,359 5.999,360 1.975,361 3.148,362 2.164,363 4.548,364 2.576,365 1.648,366 2.356,368 4.367,369 1.506,370 2.848,371 1.522,372 4.211,373 2.471,374 1.502,375 1.952,377 3.932,378 1.45,379 2.553,380 1.18,381 3.956,382 2.094,383 1.147,384 1.57,386 3.021,387 1.083,388 2.283,389 1.077,390 3.414,391 1.984,392 1,393 1.135,395 2.275,396 0.983,397 2.118,398 1.038,399 3.284,400 1.707,401 0.797,402 1,404 1.907,405 0.706,406 2.037,407 0.744,408 3.185,409 1.559,410 0.618,411 0.927,413 1.461,414 0.57,415 2,416 0.618,417 3,418 1.493,419 0.599,420 0.842,422 1.372,423 0.527,424 1.215,425 0.402,426 2.639,427 0.866,428 -0.105,429 -0.122,431 -0.248,432 -0.101,433 0.842,434 -0.028,435 2.484,436 0.656,437 -0.314,438 -0.373,440 -0.772,441 -0.301,442 0.638,443 -0.496,444 2.207,445 0.128,446 -0.857,447 -1,449 -2.209,450 -0.838,451 11.767,452 0.49,453 0.554,454 0.023,455 30,456 1.25,457 14,458 0.583,459 16,460 0.667,461 19.867,462 0.828,463 25.433,464 0.578,465 19.589,466 0.816,467 5.547,468 0.231,469 6.157,470 0.257,471 0.071,473 0.331,479 0.818,480 1.275,481 0.752,482 0.931,483 0.566,484 0.904,485 0.838,486 1.049,487 0.951,488 0.951,489 0.508,490 0.918,491 0.929,492 1.13,493 0.858,494 1.004,495 0.799,496 1.079,497 0.963,498 1.001,499 0.732,500 0.88,501 1.015,502 0.937,503 0.96,504 0.912,505 0.756,506 0.788,507 0.899,508 0.852,509 1.15,510 0.86,511 0.849,512 0.789,513 0.96,514 0.906,515 0.796,516 1.08,517 0.921,518 1.031,519 0.775,520 1.067,521 1.327,522 0.771,523 0.994,524 0.829,525 1.411,526 0.919,527 4.5,528 0.048,529 2.889,530 1.285,531 1.251,532 0.549,533 0.443,534 0.379,535 0.234,536 0.087,537 6741,538 16547,539 2.161,540 45.5,541 1,542 10,543 3,545 2,547 4,550 1.669,551 2.057,552 3.322,553 0.296,554 1,555 1,559 70.718,560 1.607,561 3.839,562 4.743,563 4.897,564 4.897,565 4.897,566 2.757,567 4.085,568 4.555,569 3.446,570 951.062,571 7.86,572 11075,574 1,576 1,577 240.215,578 1.281,579 4.532,580 0.167,581 0.004,582 0.076,583 0.037,584 0.039,585 0.019,586 0.016,587 0.015,588 0.012,589 0.005,590 0.39,591 0.5,592 1,593 0.49,594 113.886,595 -0.051,596 -0.122,597 0.071,598 0.028,599 -0.015,600 0.034,601 0.042,602 0.059,603 -0.034,604 0.017,605 0.106,606 0.025,607 -0.031,608 -0.145,609 -0.073,610 -0.135,611 0.047,612 -0.129,613 0.072,614 -0.073,615 0.098,616 -0.017,617 0.075,618 0.021,619 -0.003,620 0.019,621 0.092,622 0.082,623 0.006,624 0.112,625 -0.08,626 0.173,627 -0.009,628 0.061,629 -0.086,630 0.011,631 0.073,632 -0.103,633 -0.016,634 -0.082,635 0.054,636 -0.09,637 -0.152,638 0.188,639 -0.03,640 0.108,641 -0.154,642 0.04,643 1.778,644 5.214,645 0.833,646 20.486,647 0.997,648 1.124,649 2.351,650 5.526,651 0.687,652 3.332,653 3.664,654 3.951,655 4.22,656 4.394,657 4.5,658 4.635,659 4.796,660 4.844,661 4.89,662 5.899,663 0.641,664 340.49,665 3.332,666 4.875,667 5.733,668 6.613,669 7.488,670 8.374,671 9.256,672 10.145,673 11.032,674 11.923,675 9.1,678 1,682 1,683 1,685 1,687 2,688 6,689 1,690 1,692 1,693 3,695 15,702 1,714 44,716 16,718 27,720 47,721 18,722 11,725 1,730 4,731 5,740 2,741 1,743 2,745 12,746 6,747 1,750 1,755 1,759 1,760 1,761 1,764 20,765 4,766 2,767 6,768 1,773 4,777 0.75,778 1,786 1,788 1,792 2,793 2,796 1,815 1,819 3,821 1,823 1,827 24,833 4,834 1,837 1,838 1,842 1,847 2.3,850 1,854 11.667,855 8.067,856 5.194,857 2.667,858 2.743,859 1.373,860 1.022,861 4.378,862 10.104,863 3.597,864 4.197,865 4.804,866 5.405,867 5.808,868 6.184,869 6.578,870 7.012,871 7.14,872 7.446,873 0.857,874 35,875 8.899,877 3.831,878 7.59,879 17.395,881 14.76,883 2.09,884 50.167,887 1,888 211.88,889 119.421,890 54.706,892 25.145,894 31.278,895 88.143,896 237.025,897 54.706,898 8.396,899 27.291,900 52.774,901 46.635,902 28.425,903 39.785,904 207.844,906 211.88,907 142.849,908 25.145,909 31.278,911 164.795,912 72.229,915 49.345,916 76.719,917 16.786,918 31.278,919 211.88,920 79.851,921 119.421,924 211.88,925 58.25,926 64.295,927 34.796,928 41.93,929 211.88,930 79.851,931 119.421,933 0.585,934 0.343,935 0.184,936 0.094,937 20,938 8,939 0.064,940 3,941 1,942 1.1,943 3.705,944 199.631,945 0.1,946 20,947 106.039,948 1,951 15.793,952 6.653,953 3.267,954 2.005,955 63.066,956 11.479,957 4.706,958 3.318,960 1.514,961 2.545,963 34.796,964 411.152,965 35.5,970 12.214,974 -0.112,975 43.88,976 49.444,977 0.294,978 0.703,979 0.869,980 0.897,981 0.897,982 0.897,983 4.834,984 1.147,985 5.714,986 3.932,987 4.344,988 4.883,989 1.435,990 6.521,991 4.258,992 6.03,993 1,994 7.268,995 3.021,996 3.892,997 4.663,998 0.325,999 7.402,1000 3.818,1001 7.332,1002 0.797,1003 8.92,1004 2.275,1005 5.932,1006 7.09,1007 1.379,1008 10.507,1009 5.792,1010 8.672,1011 0.618,1012 10.633,1013 1.907,1014 6.33,1015 7.792,1016 0.268,1017 12.25,1018 6.203,1019 10.048,1020 0.599,1021 12.385,1022 1.461,1023 7.808,1024 9.644,1025 1.406,1026 14.864,1027 7.631,1028 11.45,1029 -0.105,1030 14.164,1031 1.372,1032 8.59,1033 10.773,1034 0.188,1035 16.967,1036 8.419,1037 12.872,1038 -0.314,1039 15.964,1040 -0.248,1041 9.849,1042 12.405,1043 1.462,1044 19.422,1045 9.641,1046 3.174,1047 -0.857,1048 17.78,1049 -0.772,1050 10.814,1051 13.736,1052 0.125,1053 21.683,1054 10.602,1055 2.827,1056 10.946,1057 19.608,1058 -2.209,1059 11.987,1060 15.283,1061 1.533,1062 24.086,1063 11.746,1064 2.589,1065 8.703,1066 21.447,1067 4.52,1068 13.04,1069 16.706,1070 0.082,1071 26.417,1072 12.786,1073 2.301,1074 7.865,1075 23.295,1076 3.709,1077 14.183,1078 18.222,1079 1.613,1080 28.806,1081 13.904,1082 2.107,1083 6.626,1084 25.149,1085 3.174,1086 15.278,1087 19.689,1088 0.054,1089 31.168,1090 14.982,1091 1.648,1092 5.999,1093 27.01,1094 2.844,1095 16.413,1096 21.194,1097 1.698,1098 33.555,1099 16.092,1100 1.502,1101 4.367,1102 28.877,1103 2.392,1104 17.53,1105 22.681,1106 0.035,1107 35.932,1108 17.189,1109 6325,1110 10084,1111 18.493,1112 30.216,1113 41.274,1114 41.519,1115 41.295,1116 40.532,1117 40.618,1118 52.842,1119 3.717,1120 116.953,1121 38.681,1122 5.587,1123 5.574,1124 6.316,1125 5.238,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.062,1131 8.825,1132 1.529,1133 1.538,1134 1.529,1135 1.501,1136 1.504,1137 1.957,1138 0.138,1139 4.332,1140 1.433,1141 4.133,1142 4.174,1143 4.212,1144 4.021,1145 7.429,1146 4.033,1147 3.875,1148 3.889,1149 4.085,1150 3.898,1151 5.039,1152 3.824,1153 3.803,1154 3.863,1155 3.687,1156 3.652,1157 4.629,1158 3.651,1159 3.458,1160 3.517,1161 3.453,1162 3.29,1163 4.418,1164 3.299,1165 3.229,1166 3.316,1167 3.17,1168 3.011,1169 4.318,1170 3.013,1171 3.111,1172 3.206,1173 2.991,1174 2.941,1175 3.913,1176 2.91,1177 3.082,1178 3.124,1179 2.866,1180 2.888,1181 3.711,1182 2.881,1183 2.806,1184 2.887,1185 2.705,1186 2.58,1187 3.608,1188 2.593,1189 0.17,1190 0.132,1191 0.249,1192 0.154,1193 0.118,1194 4.587,1195 0.167,1196 3.574,1197 0.039,1198 6.719,1199 0.405,1200 4.15,1201 0.115,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.099,1207 1.919,1208 1.883,1209 2.068,1210 2.054,1211 1.436,1212 2.059,1213 1.81,1214 1.757,1215 1.929,1216 1.987,1217 1.027,1218 1.977,1219 1.576,1220 1.557,1221 1.677,1222 1.734,1223 0.825,1224 1.712,1225 1.452,1226 1.384,1227 1.658,1228 1.664,1229 0.81,1230 1.664,1231 1.317,1232 1.323,1233 1.513,1234 1.447,1235 0.759,1236 1.473,1237 1.176,1238 1.088,1239 1.488,1240 1.376,1241 0.558,1242 1.429,1243 1.153,1244 1.064,1245 1.301,1246 1.338,1247 0.552,1248 1.418,1249 1.022,1250 0.958,1251 1.199,1252 1.195,1253 0.346,1254 1.231,1255 4.007,1257 5.333,1258 3.045,1259 6.843,1260 5.283,1261 8.437,1262 7.298,1263 10.078,1265 2.168,1271 4.533,1272 2.898,1275 0.533,1276 2.366,1280 28.202,1281 70.718,1282 168.931,1283 208.705,1284 215.46,1285 215.46,1286 215.46,1287 32.957,1288 7.361,1289 61.02,1290 89.26,1291 22,1292 12.452,1293 4.087,1294 3.248,1295 33.88,1296 84,1297 85,1298 0.197,1299 175.672,1300 290.64,1301 420.399,1302 15306,1304 16.518,1305 0.688,1306 0.6,1307 16.872,1308 14.397,1309 11.704,1310 0.433,1311 0.339,1312 8.189,1313 10.835,1314 7.901,1315 6.533,1316 12.204,1317 9.149,1318 10.622,1319 0.28,1320 0.188,1321 11.12,1322 7.16,1323 9.153,1324 0.179,1325 0.106,1326 9.668,1327 5.418,1328 7.62,1329 0.114,1330 0.059,1331 8.241,1332 3.938,1333 5.784,1334 0.072,1335 0.031,1336 6.103,1337 2.514,1338 0.307,1339 77.766,1340 0.233,1341 23.412,1342 0.547,1343 130,1344 336.552,1345 158.788,1346 351.318,1347 484.33,1348 330,1349 154,1350 345.496,1351 179.546,1352 365.604,1353 534.02,1354 343,1355 6.092} {0 CHEMBL105025,1 1.438,2 10.731,3 3.903,4 15.231,5 103.94,6 6.97,7 0.552,8 4.001,9 4.135,10 3.523,11 3.553,12 5.026,13 3.518,14 4.558,15 4.751,16 3.886,17 3.971,18 5.526,19 3.91,20 4.819,21 5.037,22 3.932,23 4.125,24 5.751,25 4.026,26 4.925,27 5.18,28 3.855,29 4.091,30 5.877,31 3.966,32 4.855,33 5.127,34 3.734,35 3.943,36 5.799,37 3.83,38 4.635,39 4.887,40 3.668,41 3.841,42 5.575,43 3.747,44 4.548,45 4.778,46 3.613,47 3.811,48 5.528,49 3.709,50 4.563,51 4.821,52 3.441,53 3.745,54 5.459,55 3.616,56 0.043,57 0.756,58 11.039,59 4.467,60 7.661,61 6.305,62 0.211,63 1.239,64 20.57,65 7.606,66 19.702,67 11.015,68 0.205,69 1.512,70 27.332,71 10.226,72 27.908,73 14.75,74 0.284,75 1.568,76 31.575,77 11.09,78 46.675,79 16.341,80 0.369,81 1.425,82 30.413,83 9.52,84 52.238,85 14.138,86 0.299,87 1.228,88 23.715,89 7.586,90 31.124,91 11.302,92 0.211,93 1.133,94 21.105,95 7.414,96 29.264,97 10.918,98 0.257,99 1.083,100 22.161,101 7.619,102 30.655,103 11.083,104 10,105 41,106 0.242,107 0.606,108 0.79,109 0.842,110 0.849,111 0.849,112 3.304,113 0.947,114 -4.19,115 -4.13,116 -3.9,119 42,120 1,121 2,122 1,124 1,125 2,140 6,141 3,144 1,145 1,149 1,150 1,156 1,169 11,172 5,174 2,176 4,178 11,182 5,184 1,186 5,189 6,192 1,193 8,197 6,199 4,203 4,207 1,208 2,211 6,214 1,215 4,218 1,220 2,222 8,226 3,229 1,231 1,233 7,237 3,240 1,242 2,244 8,254 3,256 8,259 944,260 17.654,261 17.654,262 17.654,263 17.654,264 17.654,265 15.653,266 21.312,267 10.321,268 17.91,269 14.303,270 14.303,271 14.303,272 14.303,273 14.303,274 11.263,275 26.949,276 4.902,277 14.703,278 4.206,279 2.035,280 0.94,281 0.63,282 0.59,283 0.59,284 4.002,287 1,288 1,289 1,290 610,291 2.828,294 58.189,295 230.021,298 103.417,302 1.675,303 18.423,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 55,315 279,316 4.587,317 3.602,318 6.719,319 4.151,320 3.174,321 4.52,322 1.058,323 10.947,324 3.1,325 4.316,326 3.295,327 6.395,328 3.965,329 2.962,330 3.92,331 0.8,332 9.671,333 2.967,334 3.818,335 2.788,336 5.778,337 3.57,338 2.605,339 3.195,341 7.907,342 2.517,343 3.602,344 2.659,345 5.333,346 3.293,347 2.348,348 2.86,350 6.828,351 2.221,352 3.324,353 2.517,354 5.034,355 3.082,356 2.132,357 2.539,359 6.004,360 2.018,361 3.267,362 2.229,363 4.77,364 2.84,365 1.84,366 2.39,368 4.975,369 1.826,370 2.861,371 1.522,372 4.545,373 2.471,374 1.502,375 2.015,377 4.352,378 1.452,379 2.849,380 1.511,381 3.972,382 2.414,383 1.414,384 1.955,386 3.109,387 1.414,388 2.582,389 1.31,390 3.779,391 2.118,392 1.164,393 1.599,395 3.01,396 1.107,397 2.515,398 1.18,399 3.567,400 2.02,401 1.016,402 1.476,404 2.539,405 1.015,406 2.04,407 1.077,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.75,417 3.239,418 1.582,419 0.619,420 0.859,422 1.513,423 0.594,424 1.22,425 0.433,426 2.779,427 0.905,428 -0.057,429 -0.067,431 -0.138,432 -0.055,433 1.092,434 0.108,435 2.486,436 0.761,437 -0.225,438 -0.253,440 -0.5,441 -0.219,442 0.841,443 -0.041,444 2.267,445 0.636,446 -0.363,447 -0.469,449 -0.851,450 -0.361,451 12.433,452 0.478,453 0.644,454 0.025,455 33,456 1.269,457 16,458 0.615,459 17,460 0.654,461 21.789,462 0.838,463 27.767,464 0.555,465 23.231,466 0.893,467 6.349,468 0.244,469 6.265,470 0.241,471 0.107,473 0.354,479 0.817,480 1.342,481 0.847,482 1.076,483 0.594,484 0.977,485 0.808,486 1.053,487 0.884,488 0.937,489 0.518,490 0.913,491 0.912,492 1.16,493 1.016,494 1.127,495 0.809,496 1.088,497 0.95,498 1.126,499 0.978,500 1.089,501 0.933,502 1.044,503 1.502,504 0.918,505 0.988,506 0.835,507 1.637,508 0.854,509 1.269,510 0.87,511 1.015,512 0.837,513 1.1,514 0.878,515 0.964,516 1.116,517 1.051,518 1.084,519 0.867,520 1.07,521 1.271,522 0.828,523 1.088,524 0.913,525 1.35,526 0.969,527 5,528 0.083,529 3.333,530 1.882,531 1.303,532 0.782,533 0.455,534 0.419,535 0.316,536 0.18,537 8246,538 17770,539 2.124,540 48,541 4,542 13,543 1,545 2,547 4,550 1.69,551 2,552 3.4,553 0.213,555 1,559 71.915,560 1.438,561 3.609,562 4.703,563 5.014,564 5.054,565 5.054,566 2.902,567 4.104,568 4.673,569 3.533,570 1148.3,571 8.094,572 14237.2,574 1,576 1,577 282.193,578 1.37,579 4.637,580 0.172,581 0.005,582 0.081,583 0.046,584 0.036,585 0.024,586 0.015,587 0.014,588 0.013,589 0.008,590 0.416,591 0.5,592 1,593 0.54,594 127.097,595 -0.029,596 -0.139,597 0.058,598 -0.017,599 -0.022,600 0.022,601 0.088,602 0.075,603 0.062,604 0.069,605 0.109,606 0.064,607 -0.016,608 -0.116,609 -0.063,610 -0.121,611 0.028,612 -0.101,613 0.06,614 -0.155,615 0.006,616 -0.113,617 0.12,618 -0.067,619 -0.113,620 0.042,621 0.044,622 0.093,623 -0.101,624 0.086,625 -0.08,626 0.177,627 -0.011,628 0.097,629 -0.071,630 0.06,631 0.016,632 -0.07,633 -0.082,634 -0.105,635 0.015,636 -0.101,637 -0.134,638 0.154,639 -0.093,640 0.05,641 -0.157,642 -0.004,643 1.786,644 5.568,645 0.808,646 22.462,647 0.991,648 1.127,649 2.956,650 8.739,651 0.662,652 3.401,653 3.738,654 4.025,655 4.29,656 4.5,657 4.564,658 4.7,659 4.852,660 4.927,661 4.99,662 6.257,663 0.621,664 348.49,665 3.401,666 4.949,667 5.808,668 6.691,669 7.566,670 8.453,671 9.335,672 10.226,673 11.112,674 12.004,675 8,678 1,682 1,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,702 1,714 50,716 17,717 1,718 29,720 53,721 21,722 13,723 2,724 4,725 1,730 4,731 5,736 1,740 2,741 1,743 2,745 14,746 7,747 1,750 1,755 1,759 1,761 1,764 24,765 4,766 2,767 5,773 4,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 2,827 26,833 4,834 1,837 1,838 1,847 2,850 1,854 13,855 9.483,856 5.639,857 3.09,858 3.058,859 1.404,860 1.009,861 4.686,862 10.623,863 3.664,864 4.273,865 4.878,866 5.476,867 5.966,868 6.253,869 6.658,870 7.058,871 7.214,872 7.54,873 1,874 41,875 9.643,877 4.119,878 7.577,879 18.845,881 15.864,883 2.077,884 54,886 1,887 1,888 258.964,889 113.285,890 54.706,892 25.145,895 113.285,896 284.109,897 54.706,898 17.222,899 27.291,900 65.905,901 46.635,902 31.611,903 16.243,904 247.193,906 258.964,907 167.991,908 25.145,911 211.88,912 72.229,915 58.17,916 93.035,917 16.786,919 258.964,920 79.851,921 113.285,924 258.964,925 30.158,926 86.251,927 34.796,928 41.93,929 258.964,930 79.851,931 113.285,933 0.587,934 0.346,935 0.186,936 0.099,937 21,938 9,939 0.057,940 3,941 1,942 1.095,943 3.826,944 222.844,945 0.095,946 21,947 116.211,951 17.107,952 7.122,953 3.501,954 1.995,955 63.066,956 13.522,957 4.748,958 3.329,961 3.498,963 34.796,964 452.1,965 38,970 12.568,974 -0.119,975 49.571,976 56.355,977 0.255,978 0.639,979 0.833,980 0.888,981 0.895,982 0.895,983 4.905,984 1.414,985 5.796,986 4.352,987 4.419,988 4.959,989 1.435,990 6.613,991 4.368,992 6.109,993 1.164,994 7.359,995 3.109,996 4.007,997 4.783,998 0.325,999 7.526,1000 3.942,1001 7.418,1002 1.016,1003 9.023,1004 3.01,1005 6.019,1006 7.179,1007 1.379,1008 10.633,1009 5.925,1010 8.763,1011 1,1012 10.745,1013 2.539,1014 6.431,1015 7.875,1016 0.268,1017 12.395,1018 6.332,1019 10.143,1020 0.619,1021 12.507,1022 2.275,1023 7.909,1024 9.743,1025 1.406,1026 15.016,1027 7.785,1028 11.548,1029 -0.057,1030 14.296,1031 1.513,1032 8.703,1033 10.855,1034 0.188,1035 17.127,1036 8.575,1037 12.974,1038 -0.225,1039 16.106,1040 -0.138,1041 9.967,1042 12.505,1043 1.462,1044 19.584,1045 9.817,1046 3.174,1047 -0.363,1048 17.93,1049 -0.5,1050 10.94,1051 13.818,1052 0.125,1053 21.843,1054 10.784,1055 2.962,1056 10.947,1057 19.768,1058 -0.851,1059 12.119,1060 15.375,1061 1.533,1062 24.243,1063 11.944,1064 2.605,1065 9.671,1066 21.614,1067 4.52,1068 13.176,1069 16.784,1070 0.082,1071 26.566,1072 12.991,1073 2.348,1074 7.907,1075 23.468,1076 3.92,1077 14.322,1078 18.304,1079 1.613,1080 28.948,1081 14.119,1082 2.132,1083 6.828,1084 25.329,1085 3.195,1086 15.42,1087 19.759,1088 0.054,1089 31.301,1090 15.202,1091 1.84,1092 6.004,1093 27.195,1094 2.86,1095 16.556,1096 21.264,1097 1.698,1098 33.678,1099 16.32,1100 1.502,1101 4.975,1102 29.065,1103 2.539,1104 17.673,1105 22.741,1106 0.035,1107 36.046,1108 17.42,1109 7793,1110 11582,1111 19.592,1112 33.091,1113 44.076,1114 44.581,1115 45.226,1116 43.56,1117 43.551,1118 56.657,1119 3.717,1120 126.26,1121 42.429,1122 5.587,1123 5.602,1124 6.404,1125 5.212,1126 5.174,1127 7.52,1128 2.117,1129 18.078,1130 5.1,1131 11.367,1132 1.52,1133 1.537,1134 1.56,1135 1.502,1136 1.502,1137 1.954,1138 0.128,1139 4.354,1140 1.463,1141 4.134,1142 4.175,1143 4.096,1144 4.021,1145 7.429,1146 4.034,1147 3.936,1148 3.962,1149 3.88,1150 3.874,1151 5.04,1152 3.871,1153 3.805,1154 3.874,1155 3.685,1156 3.653,1157 4.716,1158 3.652,1159 3.484,1160 3.544,1161 3.414,1162 3.296,1163 4.422,1164 3.314,1165 3.254,1166 3.329,1167 3.145,1168 3.06,1169 4.319,1170 3.072,1171 3.171,1172 3.257,1173 2.99,1174 3.011,1175 3.913,1176 2.992,1177 3.13,1178 3.206,1179 2.953,1180 2.941,1181 3.897,1182 2.923,1183 3.111,1184 3.188,1185 2.866,1186 2.925,1187 3.712,1188 2.91,1189 0.158,1190 0.124,1191 0.232,1192 0.143,1193 0.109,1194 4.587,1195 0.156,1196 3.602,1197 0.036,1198 6.719,1199 0.377,1200 4.151,1201 0.107,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.1,1207 1.942,1208 1.916,1209 2.069,1210 2.062,1211 1.436,1212 2.063,1213 1.904,1214 1.87,1215 2.043,1216 2.018,1217 1.149,1218 2.027,1219 1.803,1220 1.751,1221 1.921,1222 1.961,1223 1.022,1224 1.958,1225 1.453,1226 1.385,1227 1.659,1228 1.685,1229 0.825,1230 1.678,1231 1.253,1232 1.206,1233 1.553,1234 1.519,1235 0.808,1236 1.509,1237 1.206,1238 1.125,1239 1.513,1240 1.418,1241 0.604,1242 1.469,1243 1.153,1244 1.064,1245 1.494,1246 1.382,1247 0.558,1248 1.429,1249 1.127,1250 1.041,1251 1.338,1252 1.376,1253 0.386,1254 1.386,1255 4.078,1257 5.407,1258 2.398,1259 6.932,1260 4.727,1261 8.544,1262 6.843,1263 10.199,1265 4.11,1271 4.512,1272 2.946,1275 0.523,1276 2.368,1280 31.068,1281 71.915,1282 180.428,1283 235.173,1284 250.683,1285 252.683,1286 252.683,1287 38.369,1288 7.564,1289 61.02,1290 61.02,1291 23,1292 12.533,1293 4.17,1294 3.322,1295 38.065,1296 99,1297 97,1298 0.191,1299 190.39,1300 321.39,1301 456.312,1302 20221,1304 18.096,1305 0.696,1306 0.587,1307 18.096,1308 15.25,1309 12.614,1310 0.435,1311 0.316,1312 9.052,1313 12.245,1314 8.775,1315 7.301,1316 12.614,1317 9.152,1318 11.503,1319 0.281,1320 0.175,1321 11.503,1322 7.183,1323 9.857,1324 0.179,1325 0.097,1326 9.857,1327 5.342,1328 8.267,1329 0.115,1330 0.052,1331 8.267,1332 3.731,1333 6.535,1334 0.073,1335 0.029,1336 6.535,1337 2.614,1338 0.299,1339 78.23,1340 0.226,1341 25.068,1342 0.526,1343 140,1344 343.691,1345 149.847,1346 340.604,1347 475.18,1348 320,1349 166,1350 357.439,1351 176.514,1352 366.799,1353 536.92,1354 345,1355 6.357} {0 CHEMBL105091,1 1.562,2 10,3 2.812,4 7.906,5 91.29,6 7.373,7 0.556,8 3.903,9 4.027,10 3.472,11 3.412,12 4.968,13 3.405,14 4.458,15 4.636,16 3.835,17 3.826,18 5.481,19 3.795,20 4.7,21 4.918,22 3.809,23 3.938,24 5.689,25 3.851,26 4.755,27 5.009,28 3.733,29 3.905,30 5.714,31 3.8,32 4.67,33 4.934,34 3.634,35 3.786,36 5.597,37 3.686,38 4.493,39 4.73,40 3.587,41 3.685,42 5.466,43 3.615,44 4.411,45 4.635,46 3.493,47 3.625,48 5.405,49 3.538,50 4.39,51 4.645,52 3.31,53 3.489,54 5.34,55 3.388,56 0.03,57 0.68,58 9.255,59 3.782,60 6.299,61 5.105,62 0.212,63 1.101,64 17.844,65 6.387,66 19.014,67 8.915,68 0.392,69 1.29,70 24.272,71 8.486,72 38.903,73 12.165,74 0.299,75 1.3,76 26.699,77 8.922,78 41.787,79 13.199,80 0.353,81 1.18,82 25.059,83 7.909,84 40.709,85 11.809,86 0.291,87 1.047,88 20.183,89 6.281,90 26.41,91 9.164,92 0.2,93 0.944,94 18.176,95 6.334,96 25.517,97 9.1,98 0.318,99 0.859,100 18.965,101 5.943,102 32.308,103 8.581,104 5,105 38,106 0.27,107 0.658,108 0.814,109 0.845,110 0.845,111 0.845,112 3.229,113 0.913,114 -2.81,115 -2.82,116 -2.73,119 40.9,121 2,122 1,124 1,125 2,140 4,141 1,144 1,145 1,149 2,150 2,156 1,169 5,172 6,174 2,176 3,178 3,181 1,182 4,184 2,186 4,189 1,192 1,193 5,197 4,199 2,202 1,203 3,207 1,208 1,211 4,214 1,215 3,218 1,220 2,222 4,226 3,229 1,233 2,237 4,240 2,242 1,244 2,249 2,254 1,256 3,259 802,260 16.447,261 16.447,262 16.447,263 16.447,264 16.447,265 14.629,266 18.887,267 9.664,268 16.703,269 13.336,270 13.336,271 13.336,272 13.336,273 13.336,274 10.541,275 24.753,276 4.611,277 13.736,278 3.898,279 1.648,280 0.744,281 0.563,282 0.563,283 0.563,284 3.926,287 1,288 1,289 1,290 529,291 2.739,294 119.404,295 131.341,298 94.302,302 1.583,303 20.126,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 52,315 240,316 4.587,317 3.574,318 6.719,319 4.15,320 3.174,321 4.52,322 1.058,323 10.946,324 3.1,325 4.173,326 3.295,327 6.054,328 3.827,329 2.827,330 3.709,331 0.8,332 8.703,333 2.824,334 3.797,335 2.783,336 5.771,337 3.557,338 2.589,339 3.174,341 7.865,342 2.507,343 3.571,344 2.54,345 5.249,346 3.243,347 2.301,348 2.844,350 6.626,351 2.165,352 3.3,353 2.268,354 5.033,355 3.053,356 2.107,357 2.392,359 5.999,360 1.985,361 3.148,362 2.164,363 4.548,364 2.657,365 1.648,366 2.356,368 4.367,369 1.654,370 2.848,371 1.522,372 4.211,373 2.471,374 1.502,375 1.952,377 3.932,378 1.452,379 2.553,380 1.18,381 3.956,382 2.098,383 1.147,384 1.57,386 3.021,387 1.088,388 2.283,389 1.077,390 3.414,391 1.984,392 1,393 1.135,395 2.275,396 0.983,397 2.118,398 1.038,399 3.284,400 1.798,401 0.797,402 1,404 1.907,405 0.794,406 2.037,407 0.744,408 3.185,409 1.618,410 0.618,411 0.927,413 1.461,414 0.618,415 2,416 0.618,417 3,418 1.567,419 0.599,420 0.842,422 1.372,423 0.577,424 1.215,425 0.402,426 2.639,427 0.867,428 -0.105,429 -0.122,431 -0.248,432 -0.101,433 0.842,434 -0.028,435 2.484,436 0.656,437 -0.314,438 -0.373,440 -0.772,441 -0.302,442 0.638,443 -0.496,444 2.207,445 0.129,446 -0.857,447 -1,449 -2.209,450 -0.84,451 11.267,452 0.469,453 0.554,454 0.023,455 30.5,456 1.271,457 14,458 0.583,459 16.5,460 0.688,461 18.713,462 0.78,463 25.933,464 0.589,465 20.743,466 0.864,467 5.939,468 0.247,469 5.764,470 0.24,471 0.074,473 0.346,479 0.843,480 1.423,481 0.781,482 1.126,483 0.577,484 0.964,485 0.904,486 1.118,487 0.884,488 0.988,489 0.551,490 0.931,491 0.768,492 1.096,493 1.003,494 1.076,495 0.728,496 1.076,497 0.78,498 1.067,499 0.917,500 1.022,501 0.823,502 0.992,503 0.856,504 0.929,505 0.891,506 0.882,507 1.008,508 0.885,509 1.056,510 0.908,511 1.022,512 0.902,513 0.917,514 0.931,515 0.854,516 1.144,517 1.001,518 1.142,519 0.816,520 1.098,521 1.112,522 0.801,523 1.051,524 0.914,525 1.351,526 0.957,527 4.5,528 0.048,529 2.889,530 1.285,531 1.251,532 0.549,533 0.443,534 0.379,535 0.234,536 0.087,537 6741,538 16349,539 2.161,540 45.5,541 1,542 11,543 2,545 2,547 4,550 1.669,551 2.057,552 3.322,553 0.296,554 1,555 1,557 1,559 68.718,560 1.562,561 3.811,562 4.715,563 4.897,564 4.897,565 4.897,566 2.757,567 4.085,568 4.555,569 3.446,570 951.062,571 7.86,572 11075,574 1,576 1,577 240.215,578 1.281,579 4.532,580 0.167,581 0.004,582 0.076,583 0.037,584 0.039,585 0.019,586 0.016,587 0.015,588 0.012,589 0.005,590 0.39,591 0.5,592 1,593 0.49,594 113.886,595 -0.056,596 -0.209,597 0.064,598 -0.067,599 -0.006,600 0.006,601 0.003,602 0.016,603 0.027,604 0.012,605 0.095,606 0.024,607 0.113,608 -0.072,609 -0.058,610 -0.083,611 0.118,612 -0.097,613 0.029,614 -0.104,615 0.054,616 -0.045,617 0.104,618 0.002,619 0.03,620 0.029,621 0.102,622 0.07,623 -0.007,624 0.094,625 -0.092,626 0.14,627 -0.048,628 0.036,629 -0.066,630 0.013,631 0.017,632 -0.137,633 -0.052,634 -0.151,635 0.025,636 -0.116,637 -0.032,638 0.154,639 -0.043,640 0.031,641 -0.129,642 0.004,643 1.955,644 5.114,645 0.833,646 20.486,647 1.003,648 1.13,649 1.579,650 2.493,651 0.66,652 3.332,653 3.664,654 3.951,655 4.22,656 4.394,657 4.5,658 4.635,659 4.796,660 4.844,661 4.89,662 5.899,663 0.63,664 324.42,665 3.332,666 4.875,667 5.733,668 6.613,669 7.488,670 8.374,671 9.256,672 10.145,673 11.032,674 11.923,675 9.1,678 1,682 1,683 1,685 1,687 2,688 6,689 1,690 1,691 1,693 3,695 15,702 1,714 44,716 16,718 27,720 47,721 18,722 11,725 1,730 4,731 5,740 2,741 1,743 2,745 12,746 6,747 1,750 1,755 1,759 1,760 1,761 1,763 1,764 20,765 5,766 2,767 6,773 4,777 0.75,778 2,786 1,788 1,792 2,793 2,796 1,815 1,819 3,823 1,827 24,833 4,834 1,837 1,838 1,847 4.5,850 1,852 1,854 11.667,855 8.067,856 5.194,857 2.681,858 2.743,859 1.373,860 1.014,861 4.126,862 10.104,863 3.597,864 4.197,865 4.804,866 5.405,867 5.808,868 6.184,869 6.578,870 7.012,871 7.14,872 7.446,873 0.857,874 35,875 8.882,877 3.825,878 7.66,879 17.191,881 14.46,883 2.16,884 51.833,887 1,888 211.88,889 96.324,890 54.706,892 34.652,895 96.324,896 246.532,897 54.706,898 8.396,899 27.291,900 58.692,901 46.635,902 34.747,903 33.463,904 188.338,906 211.88,907 151.03,908 34.652,911 164.795,912 81.737,915 49.345,916 84.899,917 16.786,919 211.88,920 89.358,921 96.324,924 211.88,925 29.236,926 70.213,927 34.796,928 51.438,929 211.88,930 89.358,931 96.324,933 0.585,934 0.343,935 0.184,936 0.094,937 20,938 8,939 0.064,940 3,941 1,942 1.1,943 3.705,944 199.631,945 0.1,946 20,947 106.039,951 15.425,952 6.42,953 3.129,954 1.946,955 72.573,956 10.627,957 4.661,958 3.297,959 5.118,961 2.061,963 34.796,964 397.562,965 35.5,970 12.114,974 -0.289,975 44.131,976 49.734,977 0.286,978 0.698,979 0.864,980 0.897,981 0.897,982 0.897,983 4.834,984 1.147,985 5.714,986 3.932,987 4.344,988 4.883,989 1.435,990 6.521,991 4.289,992 6.03,993 1,994 7.268,995 3.021,996 3.892,997 4.663,998 0.325,999 7.402,1000 3.818,1001 7.332,1002 0.797,1003 8.92,1004 2.275,1005 5.932,1006 7.09,1007 1.379,1008 10.507,1009 5.83,1010 8.672,1011 0.618,1012 10.633,1013 1.907,1014 6.33,1015 7.792,1016 0.268,1017 12.25,1018 6.219,1019 10.048,1020 0.599,1021 12.385,1022 1.461,1023 7.808,1024 9.644,1025 1.406,1026 14.864,1027 7.668,1028 11.45,1029 -0.105,1030 14.164,1031 1.372,1032 8.59,1033 10.773,1034 0.188,1035 16.967,1036 8.444,1037 12.872,1038 -0.314,1039 15.964,1040 -0.248,1041 9.849,1042 12.405,1043 1.462,1044 19.422,1045 9.677,1046 3.174,1047 -0.857,1048 17.78,1049 -0.772,1050 10.814,1051 13.736,1052 0.125,1053 21.683,1054 10.633,1055 2.827,1056 10.946,1057 19.608,1058 -2.209,1059 11.987,1060 15.283,1061 1.533,1062 24.086,1063 11.782,1064 2.589,1065 8.703,1066 21.447,1067 4.52,1068 13.04,1069 16.706,1070 0.082,1071 26.417,1072 12.82,1073 2.301,1074 7.865,1075 23.295,1076 3.709,1077 14.183,1078 18.222,1079 1.613,1080 28.806,1081 13.94,1082 2.107,1083 6.626,1084 25.149,1085 3.174,1086 15.278,1087 19.689,1088 0.054,1089 31.168,1090 15.017,1091 1.648,1092 5.999,1093 27.01,1094 2.844,1095 16.413,1096 21.194,1097 1.698,1098 33.555,1099 16.128,1100 1.502,1101 4.367,1102 28.877,1103 2.392,1104 17.53,1105 22.681,1106 0.035,1107 35.932,1108 17.224,1109 6325,1110 10030,1111 18.493,1112 29.023,1113 41.274,1114 41.519,1115 41.295,1116 40.669,1117 40.618,1118 52.842,1119 3.717,1120 116.953,1121 39.492,1122 5.587,1123 5.574,1124 6.316,1125 5.217,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.066,1131 8.825,1132 1.529,1133 1.538,1134 1.529,1135 1.506,1136 1.504,1137 1.957,1138 0.138,1139 4.332,1140 1.463,1141 4.133,1142 4.174,1143 4.095,1144 4.018,1145 7.43,1146 4.032,1147 3.903,1148 3.91,1149 3.86,1150 3.735,1151 5.065,1152 3.762,1153 3.804,1154 3.87,1155 3.684,1156 3.651,1157 5.022,1158 3.65,1159 3.467,1160 3.527,1161 3.393,1162 3.284,1163 4.421,1164 3.299,1165 3.235,1166 3.32,1167 3.107,1168 3.004,1169 4.319,1170 3.019,1171 3.111,1172 3.206,1173 2.965,1174 2.941,1175 3.913,1176 2.91,1177 3.098,1178 3.146,1179 2.866,1180 2.879,1181 3.711,1182 2.89,1183 2.81,1184 2.893,1185 2.693,1186 2.578,1187 3.624,1188 2.598,1189 0.17,1190 0.132,1191 0.249,1192 0.154,1193 0.118,1194 4.587,1195 0.167,1196 3.574,1197 0.039,1198 6.719,1199 0.405,1200 4.15,1201 0.115,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.1,1207 1.919,1208 1.883,1209 2.068,1210 2.054,1211 1.436,1212 2.059,1213 1.809,1214 1.756,1215 1.928,1216 1.988,1217 1.026,1218 1.976,1219 1.538,1220 1.516,1221 1.673,1222 1.735,1223 0.825,1224 1.699,1225 1.452,1226 1.385,1227 1.659,1228 1.664,1229 0.808,1230 1.658,1231 1.357,1232 1.339,1233 1.513,1234 1.586,1235 0.723,1236 1.576,1237 1.166,1238 1.077,1239 1.507,1240 1.44,1241 0.558,1242 1.459,1243 1.153,1244 1.064,1245 1.453,1246 1.376,1247 0.417,1248 1.429,1249 0.996,1250 0.94,1251 1.206,1252 1.228,1253 0.308,1254 1.221,1255 4.007,1257 5.333,1258 3.045,1259 6.843,1260 5.283,1261 8.437,1262 7.298,1263 10.078,1265 2.159,1271 4.473,1272 2.798,1275 0.512,1276 2.355,1280 27.73,1281 68.718,1282 167.686,1283 207.46,1284 215.46,1285 215.46,1286 215.46,1287 33.11,1288 7.361,1289 74.16,1290 74.16,1291 22,1292 12.452,1293 4.087,1294 3.248,1295 33.88,1296 84,1297 85,1298 0.197,1299 168.537,1300 280.92,1301 402.99,1302 15306,1304 16.518,1305 0.688,1306 0.566,1307 16.518,1308 13.581,1309 11.704,1310 0.433,1311 0.304,1312 8.09,1313 11.203,1314 7.921,1315 6.547,1316 11.704,1317 8.219,1318 10.622,1319 0.28,1320 0.167,1321 10.622,1322 6.346,1323 9.153,1324 0.179,1325 0.092,1326 9.153,1327 4.697,1328 7.62,1329 0.114,1330 0.049,1331 7.62,1332 3.306,1333 5.784,1334 0.072,1335 0.029,1336 5.784,1337 2.284,1338 0.307,1339 73.674,1340 0.233,1341 23.412,1342 0.547,1343 130,1344 365.427,1345 143.39,1346 351.027,1347 485.71,1348 330,1349 154,1350 364.803,1351 168.334,1352 367.617,1353 539.18,1354 346,1355 6.032} {0 CHEMBL105118,1 1.634,2 11.571,3 3.311,4 10.962,5 106.224,6 7.744,7 0.516,8 4.009,9 4.132,10 3.608,11 3.526,12 5.16,13 3.52,14 4.55,15 4.72,16 3.974,17 3.948,18 5.756,19 3.92,20 4.821,21 5.03,22 4.014,23 4.094,24 5.89,25 4.028,26 4.921,27 5.163,28 3.934,29 4.047,30 6.004,31 3.965,32 4.8,33 5.049,34 3.875,35 3.907,36 5.893,37 3.843,38 4.647,39 4.866,40 3.805,41 3.812,42 5.985,43 3.761,44 4.541,45 4.76,46 3.685,47 3.773,48 5.614,49 3.699,50 4.541,51 4.779,52 3.606,53 3.693,54 5.676,55 3.62,56 0.153,57 0.77,58 9.455,59 4.088,60 9.658,61 5.425,62 0.346,63 1.233,64 18.254,65 7.058,66 49.005,67 9.624,68 0.316,69 1.497,70 25.79,71 9.565,72 39.553,73 13.353,74 0.527,75 1.501,76 31.468,77 10.233,78 76.273,79 14.627,80 0.508,81 1.337,82 28.251,83 8.792,84 61.365,85 12.733,86 0.715,87 1.194,88 23.28,89 6.881,90 106.886,91 9.76,92 0.31,93 1.096,94 20.104,95 7.215,96 38.318,97 10.168,98 0.452,99 1.042,100 21.305,101 6.688,102 55.681,103 9.556,104 18,105 44,106 0.273,107 0.645,108 0.795,109 0.848,110 0.848,111 0.848,112 3.375,113 0.894,114 -4.05,115 -4,116 -3.79,119 40.8,121 2,122 1,124 1,125 2,140 6,141 2,142 1,144 1,145 1,149 1,150 1,156 1,164 2,169 8,171 1,172 7,174 2,176 4,178 7,182 11,184 1,186 5,189 3,192 1,193 11,197 4,199 3,202 1,203 6,206 1,207 1,208 2,211 6,214 3,215 2,218 3,220 2,222 6,225 1,226 4,229 1,231 1,233 5,236 2,237 6,240 1,242 2,244 6,249 3,254 1,256 6,259 1216,260 18.809,261 18.809,262 18.809,263 18.809,264 18.809,265 16.584,266 23.84,267 10.93,268 19.122,269 15.287,270 15.287,271 15.287,272 15.287,273 15.287,274 11.855,275 29.897,276 5.189,277 15.766,278 3.98,279 1.759,280 0.863,281 0.546,282 0.546,283 0.546,284 4.07,287 1,288 1,289 1,290 702,291 3.317,294 65.356,295 254.328,298 115.606,302 1.786,303 32.899,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.5,315 324,316 4.587,317 3.783,318 6.719,319 4.15,320 3.174,321 4.52,322 2.612,323 10.946,324 3.1,325 4.327,326 3.567,327 6.15,328 3.906,329 2.914,330 4.016,331 1.058,332 9.039,333 2.889,334 4.006,335 3.295,336 5.823,337 3.604,338 2.638,339 3.455,340 0.8,341 7.981,342 2.546,343 3.777,344 2.783,345 5.758,346 3.505,347 2.532,348 3.145,350 7.709,351 2.463,352 3.552,353 2.54,354 5.238,355 3.209,356 2.263,357 2.835,359 6.552,360 2.134,361 3.299,362 2.312,363 5.033,364 3.034,365 2.088,366 2.394,368 5.997,369 1.967,370 3.16,371 2.214,372 4.548,373 2.559,374 1.555,375 2.381,377 4.363,378 1.555,379 2.85,380 1.595,381 4.173,382 2.471,383 1.502,384 1.956,386 3.732,387 1.452,388 2.644,389 1.522,390 3.957,391 2.12,392 1.164,393 1.629,395 3.036,396 1.109,397 2.568,398 1.18,399 3.654,400 2.022,401 1.017,402 1.579,404 2.58,405 1.017,406 2.515,407 1.148,408 3.435,409 2,410 1,411 1.475,413 2.321,414 1,415 2.04,416 1.077,417 3.414,418 1.984,419 1,420 1,422 2.275,423 0.983,424 2,425 1,426 3.239,427 1.579,428 0.616,429 0.856,431 1.509,432 0.591,433 1.216,434 0.749,435 2.771,436 0.874,437 -0.094,438 -0.109,440 -0.224,441 -0.09,442 1,443 0.417,444 2.486,445 0.663,446 -0.301,447 -0.35,449 -0.745,450 -0.289,451 13,452 0.464,453 0.75,454 0.027,455 37.75,456 1.348,457 19,458 0.679,459 18.75,460 0.67,461 21.562,462 0.77,463 30.2,464 0.616,465 28.723,466 1.026,467 7.319,468 0.261,469 6.189,470 0.221,471 0.115,473 0.369,479 0.52,480 1.307,481 0.726,482 1.036,483 0.482,484 0.936,485 0.588,486 1.114,487 0.818,488 0.992,489 0.376,490 0.945,491 0.719,492 1.18,493 0.945,494 1.16,495 0.542,496 1.101,497 0.931,498 1.045,499 0.963,500 1.02,501 0.884,502 1,503 0.885,504 0.957,505 0.849,506 0.912,507 0.851,508 0.875,509 0.922,510 0.832,511 1.055,512 0.842,513 0.777,514 0.935,515 0.71,516 1.117,517 0.937,518 1.114,519 0.675,520 1.077,521 0.911,522 0.84,523 0.994,524 0.896,525 0.817,526 0.939,527 6,528 0.154,529 3.556,530 1.757,531 1.543,532 0.962,533 0.496,534 0.497,535 0.297,536 0.181,537 10120,538 28558,539 2.094,540 42.9,541 1,542 13,543 1,545 2,547 4,550 1.709,551 1.953,552 3.521,553 0.282,554 1,555 1,559 80.079,560 1.634,561 3.856,562 4.752,563 5.069,564 5.069,565 5.069,566 2.955,567 4.379,568 4.779,569 3.656,570 1382.06,571 8.304,572 18302.8,574 1,576 1,577 275.121,578 1.432,579 4.736,580 0.194,581 0.007,582 0.081,583 0.04,584 0.04,585 0.026,586 0.015,587 0.016,588 0.011,589 0.007,590 0.436,591 0.33,592 1,593 0.744,594 141.109,595 0.128,596 -0.076,597 0.057,598 0.018,599 0.008,600 0.017,601 0.123,602 0.025,603 0.037,604 0.032,605 0.201,606 0.024,607 -0.023,608 -0.139,609 -0.039,610 -0.143,611 0.059,612 -0.1,613 -0.042,614 -0.1,615 0.027,616 -0.036,617 -0.009,618 0.003,619 0.03,620 -0.005,621 0.158,622 0.049,623 0.012,624 0.117,625 0.143,626 0.21,627 -0.071,628 0.086,629 0.212,630 -0.007,631 0.04,632 -0.108,633 -0.004,634 -0.105,635 -0.003,636 -0.072,637 0.005,638 0.15,639 -0.007,640 0.063,641 0.023,642 0.037,643 2.519,644 5.499,645 0.75,646 26.061,647 1.011,648 1.131,649 2.82,650 7.951,651 0.663,652 3.466,653 3.807,654 4.078,655 4.331,656 4.575,657 4.644,658 4.779,659 4.898,660 4.956,661 5.043,662 6.766,663 0.642,664 379.46,665 3.466,666 5.017,667 5.872,668 6.753,669 7.627,670 8.512,671 9.393,672 10.28,673 11.166,674 12.055,675 10.2,678 1,682 1,683 1,685 1,686 1,687 2,688 7,689 1,690 1,693 4,695 16,702 1,708 1,714 49,716 19,717 1,718 31,720 52,721 20,722 13,723 2,724 4,725 1,730 4,731 5,740 2,741 1,743 2,745 14,746 6,747 1,750 3,752 1,755 3,759 1,760 1,761 1,764 21,765 6,766 2,767 8,773 5,777 0.75,778 3,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 28,833 4,834 1,837 1,838 1,847 6.1,850 1,853 2,854 14.333,855 9.017,856 6.056,857 2.95,858 3.266,859 1.422,860 0.995,861 5.117,862 11.001,863 3.761,864 4.379,865 4.955,866 5.54,867 6.067,868 6.38,869 6.776,870 7.113,871 7.248,872 7.611,873 0.875,874 44,875 10.375,877 4.525,878 7.929,879 19.601,881 16.393,883 2.429,884 68,886 1,887 1,888 223.651,889 104.03,890 60.376,892 75.892,895 104.03,896 299.543,897 60.376,898 14.066,899 27.291,900 65.905,901 46.635,902 31.182,903 16.243,904 211.88,905 50.747,906 223.651,907 164.407,908 75.892,911 176.567,912 72.229,913 50.747,915 49.345,916 92.606,917 22.456,919 223.651,920 136.268,921 104.03,924 223.651,925 29.729,926 83.096,927 34.796,928 92.677,929 223.651,930 136.268,931 104.03,933 0.589,934 0.342,935 0.177,936 0.101,937 22,938 10,939 0.077,940 4,941 1,942 1.095,943 3.979,944 244.678,945 0.095,946 21,947 128.606,951 18.603,952 7.702,953 3.939,954 1.8,955 113.812,956 11.286,957 4.642,958 3.265,961 1.708,963 34.796,964 463.949,965 42,967 -0.519,970 34.327,974 -0.424,975 49.56,976 55.441,977 0.291,978 0.687,979 0.846,980 0.903,981 0.903,982 0.903,983 5.004,984 1.502,985 5.866,986 4.363,987 4.489,988 5.066,989 2.734,990 6.678,991 4.432,992 6.219,993 1.164,994 7.43,995 3.732,996 4.111,997 4.966,998 2.396,999 7.576,1000 4.031,1001 7.534,1002 1.017,1003 9.089,1004 3.036,1005 6.089,1006 7.299,1007 4.2,1008 10.661,1009 5.981,1010 8.885,1011 1,1012 10.805,1013 2.58,1014 6.509,1015 8.037,1016 4.51,1017 12.386,1018 6.385,1019 10.267,1020 1,1021 12.558,1022 2.321,1023 7.969,1024 9.862,1025 5.956,1026 14.991,1027 7.82,1028 11.672,1029 0.616,1030 14.335,1031 2.275,1032 8.753,1033 10.988,1034 6.556,1035 17.073,1036 8.591,1037 13.096,1038 -0.094,1039 16.131,1040 1.509,1041 10.005,1042 12.612,1043 7.796,1044 19.518,1045 9.821,1046 3.174,1047 -0.301,1048 17.942,1049 -0.224,1050 10.965,1051 13.925,1052 8.548,1053 21.762,1054 10.767,1055 2.914,1056 10.946,1057 19.764,1058 -0.745,1059 12.133,1060 15.467,1061 9.67,1062 24.156,1063 11.914,1064 2.638,1065 9.039,1066 21.595,1067 4.52,1068 13.178,1069 16.871,1070 10.509,1071 26.475,1072 12.943,1073 2.532,1074 7.981,1075 23.435,1076 4.016,1077 14.316,1078 18.38,1079 11.563,1080 28.856,1081 14.06,1082 2.263,1083 7.709,1084 25.282,1085 3.455,1086 15.404,1087 19.83,1088 12.452,1089 31.21,1090 15.13,1091 2.088,1092 6.552,1093 27.135,1094 3.145,1095 16.533,1096 21.327,1097 13.468,1098 33.59,1099 16.238,1100 1.555,1101 5.997,1102 28.994,1103 2.835,1104 17.644,1105 22.8,1106 14.386,1107 35.962,1108 17.328,1109 9638,1110 16441,1111 20.69,1112 32.483,1113 47.423,1114 49.192,1115 48.471,1116 46.957,1117 46.927,1118 62.481,1119 8.942,1120 136.082,1121 45.61,1122 5.587,1123 5.783,1124 6.263,1125 5.213,1126 5.174,1127 7.52,1128 4.612,1129 18.077,1130 5.1,1131 14.042,1132 1.53,1133 1.587,1134 1.564,1135 1.515,1136 1.514,1137 2.016,1138 0.288,1139 4.39,1140 1.471,1141 4.135,1142 4.176,1143 4.097,1144 4.02,1145 7.815,1146 4.034,1147 3.988,1148 4.012,1149 3.954,1150 3.869,1151 7.429,1152 3.878,1153 3.806,1154 3.875,1155 3.688,1156 3.653,1157 6.999,1158 3.652,1159 3.574,1160 3.607,1161 3.549,1162 3.304,1163 5.04,1164 3.335,1165 3.42,1166 3.466,1167 3.35,1168 3.118,1169 4.664,1170 3.18,1171 3.234,1172 3.317,1173 3.112,1174 2.976,1175 4.421,1176 3.006,1177 3.118,1178 3.206,1179 2.978,1180 2.941,1181 4.318,1182 2.913,1183 3.111,1184 3.168,1185 2.866,1186 2.903,1187 3.913,1188 2.91,1189 0.148,1190 0.122,1191 0.217,1192 0.134,1193 0.102,1194 4.587,1195 0.146,1196 3.783,1197 0.084,1198 6.719,1199 0.353,1200 4.15,1201 0.1,1202 3.174,1203 4.52,1204 2.612,1205 10.946,1206 3.1,1207 1.94,1208 1.914,1209 2.069,1210 2.095,1211 1.436,1212 2.068,1213 1.903,1214 1.87,1215 2.017,1216 2.047,1217 1.098,1218 2.045,1219 1.803,1220 1.751,1221 1.92,1222 1.98,1223 1.02,1224 1.964,1225 1.453,1226 1.385,1227 1.659,1228 1.714,1229 0.825,1230 1.679,1231 1.301,1232 1.273,1233 1.513,1234 1.669,1235 0.808,1236 1.594,1237 1.171,1238 1.104,1239 1.495,1240 1.484,1241 0.558,1242 1.48,1243 1.153,1244 1.064,1245 1.357,1246 1.376,1247 0.388,1248 1.429,1249 1.094,1250 1.027,1251 1.261,1252 1.365,1253 0.281,1254 1.358,1255 4.143,1257 5.476,1258 2.398,1259 6.999,1260 4.727,1261 8.603,1262 6.843,1263 10.251,1265 2.13,1271 4.27,1272 2.749,1275 0.445,1276 2.323,1280 31.466,1281 80.079,1282 188.94,1283 232.856,1284 248.366,1285 248.366,1286 248.366,1287 53.517,1288 7.735,1289 106.84,1290 106.84,1291 23,1292 12.585,1293 4.322,1294 3.585,1295 42.509,1296 114,1297 113,1298 0.182,1299 192.657,1300 330.03,1301 461.844,1302 25329,1304 19.673,1305 0.703,1306 0.554,1307 19.673,1308 15.514,1309 13.508,1310 0.436,1311 0.298,1312 9.091,1313 12.89,1314 8.905,1315 7.367,1316 13.508,1317 9.234,1318 12.508,1319 0.284,1320 0.163,1321 12.508,1322 7.176,1323 10.451,1324 0.18,1325 0.091,1326 10.451,1327 5.271,1328 8.483,1329 0.113,1330 0.049,1331 8.483,1332 3.669,1333 7.06,1334 0.074,1335 0.028,1336 7.06,1337 2.645,1338 0.288,1339 85.492,1340 0.22,1341 26.793,1342 0.495,1343 150,1344 466.808,1345 166.023,1346 450.211,1347 604.72,1348 416,1349 177,1350 447.804,1351 193.333,1352 448.625,1353 650.8,1354 420,1355 6.481} {0 CHEMBL105261,1 1.47,2 9.048,3 2.419,4 5.852,5 83.353,6 6.661,7 0.435,8 3.846,9 3.991,10 3.322,11 3.338,12 4.831,13 3.303,14 4.425,15 4.638,16 3.673,17 3.754,18 5.35,19 3.687,20 4.686,21 4.929,22 3.685,23 3.894,24 5.588,25 3.787,26 4.738,27 5.008,28 3.578,29 3.868,30 5.616,31 3.731,32 4.634,33 4.917,34 3.495,35 3.739,36 5.468,37 3.608,38 4.468,39 4.726,40 3.385,41 3.625,42 5.363,43 3.51,44 4.377,45 4.632,46 3.269,47 3.528,48 5.277,49 3.392,50 4.338,51 4.621,52 2.972,53 3.361,54 5.198,55 3.201,56 0.039,57 0.661,58 10.145,59 3.69,60 6.216,61 5.584,62 0.208,63 1.053,64 18.926,65 6.245,66 17.736,67 9.691,68 0.25,69 1.237,70 24.988,71 8.113,72 31.705,73 12.512,74 0.307,75 1.219,76 26.564,77 8.459,78 40.385,79 13.231,80 0.241,81 1.096,82 23.96,83 7.417,84 29.402,85 11.804,86 0.271,87 0.972,88 20.308,89 6.043,90 24.894,91 9.568,92 0.171,93 0.859,94 18.237,95 6.096,96 23.168,97 9.431,98 0.255,99 0.756,100 18.102,101 5.239,102 26.441,103 8.261,104 13,105 32,106 0.259,107 0.619,108 0.819,109 0.827,110 0.827,111 0.827,112 3.104,113 0.996,114 -2.99,115 -3,116 -2.89,119 37.2,120 1,121 3,122 1,124 1,125 2,140 2,141 1,144 1,145 1,149 1,150 1,156 1,169 5,172 5,174 2,176 4,178 3,182 4,184 1,186 4,189 1,192 1,193 5,197 3,199 3,203 2,207 1,208 1,211 5,214 1,215 1,218 1,220 2,222 4,226 2,229 1,231 1,233 2,237 3,240 1,242 1,244 3,256 2,259 572,260 14.248,261 14.248,262 14.248,263 14.248,264 14.248,265 12.989,266 19.419,267 8.338,268 14.501,269 11.286,270 11.286,271 11.286,272 11.286,273 11.286,274 9.249,275 24.545,276 3.911,277 11.68,278 3.956,279 1.913,280 0.779,281 0.733,282 0.733,283 0.733,284 3.783,287 1,288 1,289 1,290 402,291 2.828,294 44.136,295 112.552,298 80.35,302 1.392,303 15.826,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45,315 190,316 4.586,317 3.587,318 6.719,319 4.149,320 3.173,321 4.52,322 1.907,323 10.946,324 3.099,325 3.877,326 3.295,327 5.783,328 3.607,329 2.64,330 3.235,331 0.8,332 7.945,333 2.552,334 3.667,335 2.782,336 5.409,337 3.427,338 2.459,339 2.891,340 0.149,341 7.076,342 2.386,343 3.392,344 2.534,345 5.035,346 3.128,347 2.175,348 2.601,350 6.01,351 2.063,352 3.284,353 2.236,354 4.743,355 2.927,356 1.947,357 2.39,359 5.202,360 1.888,361 2.849,362 1.522,363 4.542,364 2.471,365 1.502,366 1.952,368 4.35,369 1.452,370 2.551,371 1.181,372 3.962,373 2.096,374 1.145,375 1.566,377 3.028,378 1.086,379 2.046,380 1.077,381 3.414,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 1.013,390 3.248,391 1.611,392 0.649,393 0.878,395 1.56,396 0.623,397 1.506,398 0.732,399 2.877,400 1.36,401 0.367,402 0.399,404 0.549,405 0.361,406 1.21,407 0.361,408 2.487,409 0.856,410 -0.124,411 -0.142,413 -0.27,414 -0.12,415 0.841,416 -0.034,417 2.285,418 0.651,419 -0.326,420 -0.392,422 -0.769,423 -0.316,424 0.636,425 -0.504,426 2,427 0.128,428 -0.857,429 -1,431 -2.207,432 -0.842,433 0.506,434 -0.784,435 2,436 0.072,437 -0.894,438 -1.115,440 -2.672,441 -0.854,442 0.006,443 -0.789,444 1.915,445 -0.049,446 -1,447 -1.266,449 -3,450 -0.946,451 9.933,452 0.473,453 0.503,454 0.024,455 24,456 1.143,457 10,458 0.476,459 14,460 0.667,461 18.041,462 0.859,463 23.667,464 0.55,465 15.382,466 0.732,467 4.402,468 0.21,469 5.767,470 0.275,471 0.134,473 0.342,479 0.829,480 1.538,481 0.896,482 1.217,483 0.58,484 1.08,485 0.797,486 1.149,487 0.903,488 1.007,489 0.508,490 0.964,491 1.064,492 1.106,493 1.031,494 1.056,495 0.993,496 1.042,497 0.964,498 1.013,499 1.002,500 0.994,501 0.95,502 1.002,503 0.856,504 0.995,505 0.891,506 0.937,507 0.742,508 0.916,509 1.157,510 0.918,511 1.143,512 0.98,513 0.967,514 1.034,515 0.737,516 1.237,517 1.009,518 1.234,519 0.744,520 1.167,521 1.401,522 0.865,523 1.212,524 0.985,525 1.445,526 1.06,527 4.5,528 0.066,529 2.444,530 1.257,531 1.001,532 0.573,533 0.475,534 0.339,535 0.175,536 0.071,537 4174,538 9241,539 2.074,540 51.2,541 4,542 9,543 1,545 2,546 2,547 4,550 1.633,551 1.938,552 3.176,553 0.331,554 1,555 1,557 1,559 63.222,560 1.47,561 3.514,562 4.647,563 4.693,564 4.693,565 4.693,566 2.684,567 3.975,568 4.359,569 3.267,570 686.073,571 7.478,572 7163.64,574 1,576 1,577 233.329,578 1.418,579 4.322,580 0.196,581 0.013,582 0.076,583 0.041,584 0.037,585 0.023,586 0.022,587 0.018,588 0.013,589 0.008,590 0.447,591 0.67,592 1,593 1.238,594 94.307,595 -0.035,596 -0.229,597 0.058,598 -0.06,599 -0.011,601 0.09,602 0.017,603 0.069,604 0.041,605 0.108,606 0.051,607 -0.077,608 -0.054,609 -0.055,610 -0.045,611 -0.021,612 -0.048,613 -0.021,614 -0.032,615 -0.03,616 -0.011,617 0.001,618 -0.02,619 0.013,620 -0.026,621 0.08,622 0.024,623 0.014,624 0.057,625 -0.106,626 0.147,627 -0.15,628 -0.027,629 -0.107,630 -0.081,631 0.108,632 -0.236,633 -0.052,634 -0.22,635 0.073,636 -0.164,637 -0.181,638 0.084,639 -0.208,640 -0.067,641 -0.164,642 -0.129,643 1.668,644 4.514,645 0.714,646 16.676,647 0.993,648 1.138,649 1.764,650 3.113,651 0.636,652 3.178,653 3.497,654 3.761,655 4.025,656 4.263,657 4.357,658 4.5,659 4.615,660 4.575,661 4.522,662 5.245,663 0.594,664 286.42,665 3.178,666 4.71,667 5.557,668 6.435,669 7.306,670 8.193,671 9.075,672 9.968,673 10.857,674 11.752,675 9.3,678 1,682 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 43,716 11,718 23,720 45,721 16,722 7,730 3,731 4,736 1,740 2,741 1,743 3,745 8,746 8,747 1,750 1,755 1,759 1,760 1,761 1,764 22,765 4,766 2,767 5,773 4,777 0.667,778 1,786 1,788 1,792 1,793 2,796 1,805 1,815 1,819 2,823 2,827 21,833 5,834 1,837 1,838 1,847 2.3,850 1,854 10.833,855 8.15,856 4.667,857 2.84,858 2.167,859 1.315,860 0.979,861 4.155,862 9.044,863 3.401,864 3.975,865 4.55,866 5.164,867 5.677,868 6.053,869 6.475,870 6.852,871 6.818,872 6.967,873 1,874 31,875 7.788,877 3.268,878 7.603,879 15.284,881 12.73,883 2.103,884 44.167,885 0.001,888 235.422,889 71.543,890 54.706,892 25.145,895 71.543,896 260.567,897 54.706,898 17.222,899 29.826,900 28,901 46.635,902 25.24,903 16.243,904 223.651,906 235.422,907 126.249,908 25.145,911 188.338,912 72.229,915 60.705,916 48.759,917 16.786,919 235.422,920 79.851,921 71.543,924 235.422,925 26.321,926 48.346,927 34.796,928 41.93,929 235.422,930 79.851,931 71.543,933 0.579,934 0.335,935 0.173,936 0.099,937 16,938 7,939 0.067,940 3,941 1,942 1.133,943 3.333,944 161.395,945 0.133,946 15,947 88.239,951 14.394,952 6.062,953 3.053,954 2.039,955 63.066,956 5.927,957 4.641,958 3.302,961 1.925,963 34.796,964 386.816,965 29,970 11.514,974 -0.002,975 42.687,976 48.939,977 0.271,978 0.648,979 0.856,980 0.865,981 0.865,982 0.865,983 4.64,984 1,985 5.541,986 3.028,987 4.174,988 4.659,989 2.08,990 6.344,991 4.109,992 5.828,993 0.649,994 7.094,995 2.275,996 3.761,997 4.527,998 1.668,999 7.235,1000 3.677,1001 7.131,1002 0.367,1003 8.744,1004 1.56,1005 5.759,1006 6.861,1007 2.929,1008 10.329,1009 5.634,1010 8.471,1011 -0.124,1012 10.452,1013 0.549,1014 6.155,1015 7.61,1016 3.047,1017 12.082,1018 6.017,1019 9.846,1020 -0.326,1021 12.199,1022 -0.27,1023 7.626,1024 9.442,1025 4.042,1026 14.708,1027 7.451,1028 11.246,1029 -0.857,1030 13.975,1031 -0.769,1032 8.404,1033 10.608,1034 4.412,1035 16.832,1036 8.218,1037 12.668,1038 -0.894,1039 15.773,1040 -2.207,1041 9.667,1042 12.246,1043 5.251,1044 19.303,1045 9.448,1046 3.173,1047 -1,1048 17.59,1049 -2.672,1050 10.634,1051 13.606,1052 5.75,1053 21.585,1054 10.402,1055 2.64,1056 10.946,1057 19.421,1058 -3,1059 11.814,1060 15.165,1061 6.501,1062 24.003,1063 11.555,1064 2.459,1065 7.945,1066 21.265,1067 4.52,1068 12.873,1069 16.61,1070 7.068,1071 26.35,1072 12.597,1073 2.175,1074 7.076,1075 23.119,1076 3.235,1077 14.025,1078 18.139,1079 7.771,1080 28.75,1081 13.724,1082 1.947,1083 6.01,1084 24.982,1085 2.891,1086 15.129,1087 19.62,1088 8.374,1089 31.123,1090 14.809,1091 1.502,1092 5.202,1093 26.851,1094 2.601,1095 16.274,1096 21.136,1097 9.051,1098 33.518,1099 15.93,1100 1.145,1101 4.35,1102 28.727,1103 2.39,1104 17.4,1105 22.633,1106 9.674,1107 35.902,1108 17.036,1109 4142,1110 6262,1111 15.315,1112 27.33,1113 34.299,1114 35.128,1115 35.812,1116 34.13,1117 34.113,1118 42.864,1119 5.712,1120 97.882,1121 32.986,1122 5.586,1123 5.587,1124 6.27,1125 5.203,1126 5.173,1127 7.52,1128 3.306,1129 18.076,1130 5.06,1131 10.074,1132 1.491,1133 1.527,1134 1.557,1135 1.484,1136 1.483,1137 1.864,1138 0.248,1139 4.256,1140 1.434,1141 4.131,1142 4.172,1143 4.092,1144 4.016,1145 7.429,1146 4.03,1147 3.808,1148 3.876,1149 3.69,1150 3.654,1151 5.039,1152 3.654,1153 3.662,1154 3.716,1155 3.565,1156 3.463,1157 4.425,1158 3.475,1159 3.387,1160 3.457,1161 3.267,1162 3.236,1163 4.322,1164 3.235,1165 3.202,1166 3.302,1167 3.019,1168 2.968,1169 4.001,1170 2.966,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.912,1176 2.91,1177 2.99,1178 3.066,1179 2.796,1180 2.742,1181 3.711,1182 2.749,1183 2.793,1184 2.881,1185 2.662,1186 2.521,1187 3.563,1188 2.543,1189 0.199,1190 0.156,1191 0.292,1192 0.18,1193 0.138,1194 4.586,1195 0.197,1196 3.587,1197 0.083,1198 6.719,1199 0.476,1200 4.149,1201 0.135,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.099,1207 1.919,1208 1.883,1209 2.068,1210 2.055,1211 1.436,1212 2.06,1213 1.81,1214 1.757,1215 1.938,1216 1.99,1217 1.048,1218 1.981,1219 1.585,1220 1.528,1221 1.842,1222 1.801,1223 0.993,1224 1.811,1225 1.452,1226 1.384,1227 1.659,1228 1.676,1229 0.825,1230 1.674,1231 1.183,1232 1.091,1233 1.513,1234 1.46,1235 0.807,1236 1.48,1237 1.153,1238 1.064,1239 1.491,1240 1.376,1241 0.558,1242 1.429,1243 1.046,1244 0.97,1245 1.288,1246 1.308,1247 0.363,1248 1.315,1249 0.828,1250 0.757,1251 1.143,1252 1.086,1253 0.256,1254 1.111,1255 3.85,1257 5.165,1258 2.398,1259 6.673,1260 4.727,1261 8.27,1262 6.843,1263 9.915,1265 4.01,1271 5.051,1272 2.839,1275 0.555,1276 2.367,1280 25.542,1281 63.222,1282 151.088,1283 199.82,1284 201.82,1285 201.82,1286 201.82,1287 30.528,1288 6.877,1289 61.02,1290 61.02,1291 17,1292 12.279,1293 3.585,1294 2.807,1295 32.136,1296 64,1297 70,1298 0.249,1299 158.604,1300 266.07,1301 378.754,1302 7835,1304 14.82,1305 0.706,1306 0.602,1307 14.82,1308 12.648,1309 10.169,1310 0.442,1311 0.332,1312 7.535,1313 9.794,1314 7.317,1315 6.091,1316 10.169,1317 7.635,1318 9.113,1319 0.285,1320 0.182,1321 9.113,1322 5.816,1323 7.676,1324 0.183,1325 0.102,1326 7.676,1327 4.299,1328 6.112,1329 0.111,1330 0.054,1331 6.112,1332 2.951,1333 5.071,1334 0.072,1335 0.031,1336 5.071,1337 2.176,1338 0.382,1339 63.559,1340 0.256,1341 20.666,1342 0.707,1343 110,1344 279.691,1345 119.847,1346 272.807,1347 376.44,1348 256,1349 129,1350 280.439,1351 139.015,1352 284.583,1353 415.71,1354 268,1355 6.137} {0 CHEMBL105327,1 1.705,2 8.524,3 2.015,4 4.061,5 84.479,6 7.523,7 0.435,8 3.82,9 3.942,10 3.582,11 3.35,12 4.77,13 3.295,14 4.417,15 4.603,16 3.805,17 3.752,18 5.636,19 3.688,20 4.67,21 4.892,22 3.753,23 3.884,24 5.649,25 3.776,26 4.702,27 4.966,28 3.702,29 3.872,30 5.626,31 3.721,32 4.62,33 4.888,34 3.609,35 3.74,36 5.544,37 3.602,38 4.443,39 4.69,40 3.559,41 3.61,42 5.402,43 3.482,44 4.326,45 4.557,46 3.46,47 3.5,48 5.378,49 3.359,50 4.316,51 4.574,52 3.136,53 3.338,54 5.307,55 3.149,56 0.089,57 0.667,58 12.135,59 3.891,60 14.144,61 5.137,62 0.383,63 1.05,64 21.611,65 6.728,66 55.009,67 9.087,68 0.385,69 1.217,70 25.381,71 8.043,72 51.068,73 11.57,74 0.328,75 1.208,76 27.636,77 9.169,78 44.353,79 13.215,80 0.314,81 1.087,82 26.102,83 7.959,84 39.457,85 11.41,86 0.311,87 0.947,88 21.627,89 6.435,90 28.98,91 9.166,92 0.245,93 0.834,94 20.936,95 6.511,96 32.197,97 8.66,98 0.376,99 0.735,100 23.131,101 6.031,102 47.587,103 7.678,104 19,105 34,106 0.302,107 0.632,108 0.804,109 0.813,110 0.813,111 0.813,112 3.104,113 1.168,114 -2.04,115 -2.09,116 -2.08,119 34.1,121 2,122 1,124 2,125 2,140 2,141 1,144 1,145 1,149 1,150 1,169 4,171 1,172 4,174 3,176 3,178 3,182 3,184 1,186 3,189 1,192 2,193 5,197 3,199 2,203 2,207 1,208 1,211 3,214 1,215 2,218 1,220 2,222 2,226 3,229 2,237 5,240 1,259 557,260 13.618,261 13.618,262 13.618,263 13.618,264 13.618,265 12.137,266 16.24,267 7.811,268 13.951,269 11.38,270 11.38,271 11.38,272 11.38,273 11.38,274 9.034,275 17.537,276 3.755,277 11.941,278 3.652,279 1.789,280 0.817,281 0.769,282 0.769,283 0.769,284 3.778,287 1,288 1,289 1,290 378,291 3.162,294 43.974,295 112.172,298 80.037,302 1.406,303 22.714,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46,315 179,316 4.659,317 4.311,318 6.721,319 4.164,320 3.199,321 4.536,322 0.8,323 10.956,324 3.103,325 4.562,326 3.298,327 6.451,328 4.045,329 3.1,330 4.419,332 10.179,333 2.892,334 3.78,335 2.786,336 5.768,337 3.55,338 2.586,339 3.132,341 7.858,342 2.494,343 3.524,344 2.543,345 5.153,346 3.188,347 2.253,348 2.811,350 6.39,351 2.102,352 3.294,353 2.245,354 5.031,355 3,356 2.058,357 2.39,359 5.988,360 1.93,361 2.849,362 1.522,363 4.546,364 2.471,365 1.502,366 1.955,368 4.356,369 1.452,370 2.553,371 1.182,372 3.966,373 2.096,374 1.147,375 1.569,377 3.041,378 1.086,379 2.047,380 1.077,381 3.414,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 0.818,390 3.278,391 1.597,392 0.638,393 0.877,395 1.569,396 0.61,397 1.232,398 0.619,399 3.096,400 0.911,401 -0.035,402 -0.041,404 -0.093,405 -0.033,406 1,407 0.069,408 2.489,409 0.684,410 -0.271,411 -0.298,413 -0.677,414 -0.258,415 0.839,416 -0.161,417 2.33,418 0.126,419 -0.848,420 -1,422 -2.415,423 -0.762,424 0.631,425 -0.723,426 2,427 0.067,428 -0.888,429 -1.044,431 -2.68,432 -0.836,433 0.5,434 -0.784,435 2,437 -1,438 -1.212,440 -3,441 -0.85,442 0.235,443 -0.854,444 2,445 -0.049,446 -1,447 -1.295,449 -3,450 -0.946,451 10.1,452 0.481,453 0.75,454 0.036,455 25.5,456 1.214,457 11.5,458 0.548,459 14,460 0.667,461 17.526,462 0.835,463 24.1,464 0.588,465 17.015,466 0.81,467 4.557,468 0.217,469 5.365,470 0.255,471 0.165,472 0.083,473 0.287,479 0.597,480 1.606,481 0.863,482 1.367,483 0.657,484 1.065,485 0.692,486 1.146,487 1.049,488 1.087,489 0.425,490 0.948,491 1.128,492 1.028,493 0.885,494 0.889,495 1.096,496 1.06,497 0.491,498 1.019,499 0.751,500 0.923,501 0.363,502 0.994,503 0.814,504 0.958,505 0.803,506 0.863,507 0.693,508 0.926,509 0.955,510 0.919,511 0.882,512 0.897,513 0.845,514 0.999,515 0.745,516 1.267,517 1.11,518 1.28,519 0.727,520 1.163,521 1.547,522 0.867,523 1.492,524 1.147,525 1.53,526 1.112,527 6,528 0.087,529 2.444,530 1.507,531 1.161,532 0.657,533 0.617,534 0.415,535 0.193,536 0.09,537 4090,538 11170,539 2.034,540 48.8,541 1,542 12,543 1,545 2,547 4,550 1.633,551 1.867,552 3.084,553 0.425,554 1,555 1,557 1,559 69.918,560 1.705,561 3.568,562 4.54,563 4.589,564 4.589,565 4.589,566 2.506,567 3.749,568 4.362,569 3.22,570 676.217,571 7.482,572 7032.99,573 1,574 1,576 1,577 219.66,578 1.691,579 4.295,580 0.261,581 0.022,582 0.072,583 0.05,584 0.041,585 0.026,586 0.028,587 0.021,588 0.016,589 0.01,590 0.547,591 0.5,592 1,593 1.083,594 93.945,595 0.09,596 -0.27,597 0.247,598 -0.108,599 -0.141,600 0.013,601 0.224,602 0.025,603 -0.046,604 -0.026,605 0.359,606 0.047,607 -0.178,608 -0.011,609 -0.106,610 -0.015,611 -0.147,612 -0.098,613 0.133,614 -0.063,615 0.076,616 -0.009,617 0.133,618 0.008,619 -0.02,620 -0.01,621 0.061,622 0.03,623 -0.001,624 0.044,625 -0.057,626 0.095,627 0.011,628 0.015,629 -0.069,630 -0.043,631 0.135,632 -0.245,633 -0.047,634 -0.212,635 0.107,636 -0.159,637 -0.285,638 0.098,639 -0.283,640 -0.087,641 -0.207,642 -0.17,643 4.22,644 4.333,645 0.714,646 15.791,647 1.005,648 1.138,649 0.81,650 0.657,651 0.651,652 3.178,653 3.555,654 3.738,655 4.043,656 4.263,657 4.369,658 4.533,659 4.635,660 4.564,661 4.543,662 5.133,663 0.608,664 308.45,665 3.178,666 4.745,667 5.58,668 6.485,669 7.343,670 8.25,671 9.121,672 10.028,673 10.907,674 11.814,675 9.8,678 1,680 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 41,716 12,718 23,720 43,721 14,722 7,730 3,731 4,740 2,741 1,743 2,745 7,746 7,747 1,750 2,753 1,755 2,760 1,761 1,764 20,765 5,766 2,767 7,768 1,773 4,777 0.667,778 2,786 1,788 1,792 1,793 2,796 1,815 1,819 2,821 1,823 2,827 21,830 1,833 4,834 1,837 1,838 1,847 4.9,850 2,854 11.25,855 7.733,856 4.375,857 2.375,858 2.244,859 1.326,860 0.995,861 3.843,862 9.121,863 3.434,864 4.099,865 4.539,866 5.193,867 5.697,868 6.089,869 6.545,870 6.929,871 6.889,872 7.085,873 0.833,874 30,875 7.942,877 3.564,878 7.829,879 15.116,881 12.926,883 2.329,884 48.917,885 0.001,888 211.88,889 68.476,890 53.1,892 44.313,894 5.807,895 62.669,896 256.193,897 53.1,898 15.587,899 9.28,900 33.807,901 77.503,902 25.24,903 16.243,904 200.109,906 211.88,907 115.769,908 44.313,909 5.807,911 164.795,912 91.397,915 31.334,916 51.244,917 38.998,919 211.88,920 97.413,921 68.476,923 5.807,924 211.88,925 19.082,926 46.711,927 33.191,928 61.098,929 211.88,930 97.413,931 68.476,933 0.6,934 0.309,935 0.167,936 0.096,937 18,938 8,939 0.07,940 3,941 1,942 1.133,943 3.271,944 163.714,945 0.133,946 15,947 86.239,950 1,951 14.668,952 5.502,953 3.325,954 1.821,955 80.628,956 5.56,957 4.48,958 3.233,961 1.564,963 33.191,964 377.769,965 30,968 -3.303,970 22.667,975 41.207,976 46.654,977 0.318,978 0.666,979 0.847,980 0.857,981 0.857,982 0.857,983 4.705,984 1,985 5.631,986 3.041,987 4.234,988 4.783,989 0.673,990 6.482,991 4.142,992 5.963,993 0.638,994 7.219,995 2.275,996 4.111,997 5.027,998 0.325,999 7.644,1000 3.944,1001 7.333,1002 -0.035,1003 8.909,1004 1.569,1005 5.932,1006 7.158,1007 0.379,1008 10.604,1009 5.749,1010 8.739,1011 -0.271,1012 10.657,1013 -0.093,1014 6.538,1015 8.166,1016 0.268,1017 12.504,1018 6.286,1019 10.178,1020 -0.848,1021 12.442,1022 -0.677,1023 7.926,1024 9.887,1025 0.239,1026 15.067,1027 7.651,1028 11.638,1029 -0.888,1030 14.25,1031 -2.415,1032 8.836,1033 11.189,1034 0.188,1035 17.248,1036 8.503,1037 13.114,1038 -1,1039 16.075,1040 -2.68,1041 10.068,1042 12.774,1043 0.156,1044 19.685,1045 9.705,1046 3.199,1047 -1,1048 17.914,1049 -3,1050 11.11,1051 14.193,1052 0.125,1053 21.978,1054 10.698,1055 3.1,1056 10.956,1057 19.762,1058 -3,1059 12.285,1060 15.727,1061 0.102,1062 24.373,1063 11.838,1064 2.586,1065 10.179,1066 21.618,1067 4.536,1068 13.385,1069 17.194,1070 0.082,1071 26.712,1072 12.894,1073 2.253,1074 7.858,1075 23.48,1076 4.419,1077 14.54,1078 18.708,1079 0.066,1080 29.093,1081 14.013,1082 2.058,1083 6.39,1084 25.348,1085 3.132,1086 15.667,1087 20.195,1088 0.054,1089 31.452,1090 15.099,1091 1.502,1092 5.988,1093 27.22,1094 2.811,1095 16.816,1096 21.702,1097 0.043,1098 33.829,1099 16.212,1100 1.147,1101 4.356,1102 29.095,1103 2.39,1104 17.955,1105 23.197,1106 0.035,1107 36.198,1108 17.312,1109 4067,1110 6891,1111 14.909,1112 26.671,1113 35.062,1114 36.251,1115 35.719,1116 35.05,1117 34.965,1118 45.378,1119 1.6,1120 105.221,1121 33.307,1122 5.659,1123 6.311,1124 6.135,1125 5.215,1126 5.199,1127 7.536,1128 1.2,1129 18.088,1130 5.066,1131 11.383,1132 1.524,1133 1.576,1134 1.553,1135 1.524,1136 1.52,1137 1.973,1138 0.07,1139 4.575,1140 1.448,1141 4.143,1142 4.179,1143 4.716,1144 4.039,1145 7.718,1146 4.037,1147 3.93,1148 3.907,1149 4.077,1150 3.889,1151 6.999,1152 3.755,1153 3.795,1154 3.846,1155 3.68,1156 3.644,1157 5.037,1158 3.635,1159 3.377,1160 3.434,1161 3.301,1162 3.235,1163 4.416,1164 3.233,1165 3.186,1166 3.284,1167 3.012,1168 2.957,1169 4.318,1170 2.953,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.912,1176 2.91,1177 2.854,1178 2.947,1179 2.713,1180 2.635,1181 3.715,1182 2.645,1183 2.701,1184 2.812,1185 2.416,1186 2.406,1187 3.708,1188 2.375,1189 0.203,1190 0.187,1191 0.292,1192 0.181,1193 0.139,1194 4.659,1195 0.197,1196 4.311,1197 0.035,1198 6.721,1199 0.476,1200 4.164,1201 0.135,1202 3.199,1203 4.536,1204 0.8,1205 10.956,1206 3.103,1207 1.926,1208 1.899,1209 2.068,1210 2.059,1211 1.436,1212 2.067,1213 1.823,1214 1.786,1215 1.924,1216 1.995,1217 1.057,1218 2.009,1219 1.661,1220 1.679,1221 1.659,1222 1.805,1223 0.93,1224 1.859,1225 1.452,1226 1.384,1227 1.609,1228 1.672,1229 0.825,1230 1.672,1231 1.166,1232 1.069,1233 1.513,1234 1.436,1235 0.805,1236 1.464,1237 1.153,1238 1.064,1239 1.485,1240 1.376,1241 0.557,1242 1.429,1243 0.976,1244 0.911,1245 1.215,1246 1.185,1247 0.343,1248 1.212,1249 0.701,1250 0.6,1251 1.033,1252 1.022,1253 0.229,1254 1.061,1255 3.85,1257 5.209,1258 2.398,1259 6.739,1260 4.727,1261 8.346,1262 6.843,1263 9.996,1265 3.27,1271 4.376,1272 2.439,1275 0.482,1276 2.329,1280 24.917,1281 69.918,1282 146.301,1283 186.15,1284 188.15,1285 188.15,1286 188.15,1287 36.695,1288 6.877,1289 78.09,1290 86.47,1291 17,1292 12.337,1293 3.7,1294 3,1295 32.122,1296 63,1297 67,1298 0.254,1299 157.474,1300 261.41,1301 375.997,1302 7753,1304 15.035,1305 0.716,1306 0.623,1307 15.285,1308 13.073,1309 9.922,1310 0.431,1311 0.389,1312 7.119,1313 8.768,1314 6.725,1315 5.586,1316 10.848,1317 8.957,1318 10.129,1319 0.298,1320 0.222,1321 11.511,1322 7.537,1323 7.144,1324 0.174,1325 0.112,1326 7.595,1327 4.58,1328 6.213,1329 0.111,1330 0.061,1331 6.739,1332 3.391,1333 5.002,1334 0.071,1335 0.034,1336 5.357,1337 2.389,1338 0.388,1339 71.738,1340 0.259,1341 20.559,1342 0.727,1343 114,1344 326.287,1345 155.806,1346 336.384,1347 451.68,1348 308,1349 132,1350 308.624,1351 181.52,1352 345.969,1353 494.97,1354 320,1355 6.42} {0 CHEMBL105369,1 1.612,2 12.111,3 3.53,4 12.462,5 102.294,6 7.499,7 0.533,8 4.002,9 4.136,10 3.573,11 3.514,12 5.102,13 3.506,14 4.548,15 4.732,16 3.942,17 3.926,18 5.653,19 3.89,20 4.825,21 5.05,22 3.938,23 4.058,24 5.85,25 3.981,26 4.877,27 5.14,28 3.836,29 4.006,30 5.859,31 3.897,32 4.775,33 5.042,34 3.774,35 3.863,36 5.788,37 3.777,38 4.611,39 4.851,40 3.701,41 3.768,42 5.665,43 3.706,44 4.527,45 4.754,46 3.694,47 3.725,48 5.757,49 3.651,50 4.526,51 4.783,52 3.467,53 3.652,54 5.526,55 3.559,56 0.053,57 0.837,58 9.997,59 4.124,60 7.363,61 5.573,62 0.285,63 1.335,64 19.127,65 7.129,66 25.998,67 9.904,68 0.35,69 1.6,70 27.427,71 9.481,72 46.91,73 13.263,74 0.404,75 1.512,76 30.534,77 10.14,78 54.559,79 14.858,80 0.441,81 1.316,82 28.011,83 8.337,84 54.329,85 12.653,86 0.393,87 1.205,88 22.944,89 6.792,90 41.825,91 9.801,92 0.446,93 1.134,94 20.558,95 6.804,96 65.927,97 9.971,98 0.376,99 1.064,100 21.608,101 6.456,102 43.949,103 9.343,104 10,105 42,106 0.272,107 0.641,108 0.788,109 0.834,110 0.834,111 0.834,112 3.34,113 0.908,114 -3.98,115 -3.93,116 -3.73,119 40.8,121 2,122 1,124 1,125 2,140 6,141 1,142 2,144 1,145 1,149 1,150 1,157 1,169 6,172 4,174 3,175 1,176 5,178 5,182 3,184 1,186 5,189 3,192 1,193 6,195 1,197 6,199 2,203 3,207 1,208 4,211 3,214 1,215 3,218 1,220 3,222 4,226 4,229 1,230 1,231 1,233 4,237 3,240 1,242 2,244 4,254 2,256 4,259 1131,260 18.256,261 18.256,262 18.256,263 18.256,264 18.256,265 16.221,266 24.718,267 10.727,268 18.64,269 14.825,270 14.825,271 14.825,272 14.825,273 14.825,274 11.731,275 33.054,276 5.161,277 15.46,278 4.003,279 1.815,280 0.944,281 0.668,282 0.668,283 0.668,284 4.038,287 1,288 1,289 1,290 715,291 3,294 63.577,295 249.342,298 113.007,302 1.827,303 27.046,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 59,315 327,316 4.586,317 3.564,318 6.719,319 4.149,320 3.173,321 4.52,322 1.656,323 10.946,324 3.099,325 4.052,326 3.294,327 5.785,328 3.673,329 2.71,330 3.63,331 0.8,332 7.974,333 2.601,334 3.857,335 2.917,336 5.561,337 3.565,338 2.6,339 3.233,340 0.247,341 7.556,342 2.51,343 3.671,344 2.782,345 5.322,346 3.373,347 2.423,348 2.913,350 6.869,351 2.296,352 3.477,353 2.539,354 5.035,355 3.14,356 2.198,357 2.766,359 6.013,360 2.059,361 3.301,362 2.391,363 4.95,364 3.017,365 2.08,366 2.41,368 5.851,369 1.938,370 3.203,371 2.228,372 4.585,373 2.738,374 1.758,375 2.388,377 4.804,378 1.702,379 2.848,380 1.522,381 4.529,382 2.471,383 1.502,384 1.951,386 4.345,387 1.452,388 2.55,389 1.18,390 3.961,391 2.093,392 1.141,393 1.564,395 3.026,396 1.083,397 2.5,398 1.077,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.044,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.82,417 3.25,418 1.594,419 0.635,420 0.871,422 1.556,423 0.607,424 1.415,425 0.719,426 2.964,427 1.09,428 0.171,429 0.201,431 0.419,432 0.155,433 1.214,434 0.432,435 2.495,436 0.857,437 -0.107,438 -0.125,440 -0.248,441 -0.102,442 0.843,443 0.081,444 2.441,445 0.661,446 -0.296,447 -0.34,449 -0.721,450 -0.279,451 12.619,452 0.467,453 0.677,454 0.025,455 34.75,456 1.287,457 16.5,458 0.611,459 18.25,460 0.676,461 21.395,462 0.792,463 29.381,464 0.6,465 25.234,466 0.935,467 6.816,468 0.252,469 6.264,470 0.232,471 0.089,473 0.349,477 1,479 0.72,480 1.255,481 0.769,482 1.076,483 0.533,484 0.949,485 0.639,486 1.04,487 0.846,488 1.01,489 0.467,490 0.971,491 0.965,492 1.077,493 1.052,494 1.091,495 0.857,496 1.086,497 0.727,498 0.942,499 0.919,500 1.032,501 0.659,502 1.014,503 0.794,504 0.797,505 0.858,506 0.882,507 0.766,508 0.877,509 1.121,510 0.863,511 1.055,512 0.891,513 1.043,514 0.934,515 0.551,516 0.963,517 0.898,518 1.09,519 0.51,520 1.065,521 1.121,522 0.772,523 1.122,524 0.861,525 1.052,526 0.954,527 6,528 0.118,529 2.889,530 1.632,531 1.343,532 0.747,533 0.616,534 0.336,535 0.293,536 0.193,537 9653,538 25489,539 2.12,540 44.9,541 1,542 13,543 1,545 3,547 4,550 1.698,551 2,552 3.558,553 0.945,555 1,559 78.965,560 1.612,561 3.8,562 4.671,563 4.946,564 4.946,565 4.946,566 3.069,567 4.385,568 4.724,569 3.69,570 1295.06,571 8.187,572 16898.5,574 1,576 1,577 275.121,578 1.352,579 4.694,580 0.2,581 0.006,582 0.069,583 0.041,584 0.038,585 0.023,586 0.02,587 0.011,588 0.012,589 0.008,590 0.428,591 0.5,592 1,593 0.528,594 135.235,595 -0.067,596 -0.15,597 0.041,598 -0.024,599 -0.029,600 0.023,601 0.099,602 -0.004,603 0.028,604 -0.005,605 0.115,606 -0.006,607 -0.101,608 -0.089,609 -0.116,610 -0.101,611 -0.038,612 -0.109,613 0.036,614 -0.078,615 0.046,616 -0.058,617 0.054,618 -0.013,619 0.032,620 -0.01,621 0.127,622 0.046,623 0.03,624 0.095,625 -0.138,626 0.051,627 -0.081,628 0.029,629 -0.111,630 -0.002,631 0.297,632 -0.039,633 0.046,634 -0.119,635 0.295,636 -0.093,637 -0.175,638 0.115,639 -0.137,640 0.067,641 -0.146,642 -0.003,643 2.079,644 5.195,645 0.778,646 26.469,647 1.006,648 1.138,649 2.747,650 7.547,651 0.659,652 3.434,653 3.761,654 4.007,655 4.277,656 4.511,657 4.564,658 4.7,659 4.812,660 4.86,661 4.927,662 6.863,663 0.632,664 367.47,665 3.434,666 4.977,667 5.82,668 6.696,669 7.557,670 8.438,671 9.309,672 10.193,673 11.071,674 11.957,675 10.2,678 1,682 2,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,713 1,714 49,716 17,717 1,718 30,720 52,721 20,722 13,723 2,724 4,730 4,731 5,735 1,740 2,741 1,743 2,745 14,746 6,747 1,750 1,755 1,759 1,760 1,761 1,762 1,764 22,765 6,766 3,767 7,773 5,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 27,833 4,834 2,837 1,838 1,846 1,847 2,850 1,854 13.5,855 8.876,856 5.833,857 2.932,858 2.988,859 1.392,860 1.014,861 5.101,862 10.601,863 3.689,864 4.287,865 4.843,866 5.448,867 5.961,868 6.227,869 6.617,870 6.984,871 7.04,872 7.338,873 1,874 40,875 10.005,877 4.314,878 7.815,879 19.124,881 15.965,883 2.315,884 62.5,886 1,887 1,888 223.651,889 109.537,890 72.717,892 25.145,893 14.96,895 109.537,896 248.796,897 87.677,898 8.396,899 45.302,900 65.905,901 41.93,902 37.117,903 35.479,904 211.88,906 223.651,907 182.254,908 40.105,911 191.527,912 72.229,915 67.356,916 98.113,917 16.786,919 238.611,920 97.862,921 109.537,924 223.651,925 35.236,926 77.426,927 52.807,928 56.891,929 223.651,930 112.822,931 109.537,933 0.585,934 0.33,935 0.176,936 0.101,937 21,938 9,939 0.058,940 3,941 1,942 1.095,943 3.985,944 228.944,945 0.095,946 21,947 120.382,951 17.959,952 7.669,953 4.124,954 1.873,955 96.036,956 11.346,957 4.648,958 3.282,961 1.863,963 52.807,964 446.01,965 39,970 12.195,974 -0.412,975 49.301,976 55.777,977 0.287,978 0.677,979 0.832,980 0.881,981 0.881,982 0.881,983 4.927,984 1.502,985 5.802,986 4.804,987 4.443,988 4.973,989 1.911,990 6.586,991 4.363,992 6.125,993 1.141,994 7.341,995 4.345,996 4.007,997 4.783,998 1.305,999 7.413,1000 3.881,1001 7.424,1002 1,1003 8.974,1004 3.026,1005 6.014,1006 7.164,1007 2.455,1008 10.498,1009 5.863,1010 8.756,1011 1,1012 10.663,1013 2.275,1014 6.365,1015 7.816,1016 2.354,1017 12.189,1018 6.179,1019 10.119,1020 0.635,1021 12.39,1022 2.275,1023 7.849,1024 9.688,1025 3.254,1026 14.805,1027 7.641,1028 11.506,1029 0.171,1030 14.145,1031 1.556,1032 8.582,1033 10.764,1034 3.414,1035 16.891,1036 8.35,1037 12.912,1038 -0.107,1039 15.923,1040 0.419,1041 9.849,1042 12.422,1043 4.158,1044 19.352,1045 9.595,1046 3.173,1047 -0.296,1048 17.721,1049 -0.248,1050 10.78,1051 13.717,1052 4.466,1053 21.616,1054 10.507,1055 2.71,1056 10.946,1057 19.534,1058 -0.721,1059 11.957,1060 15.283,1061 5.112,1062 24.027,1063 11.664,1064 2.6,1065 7.974,1066 21.362,1067 4.52,1068 12.99,1069 16.687,1070 5.504,1071 26.365,1072 12.679,1073 2.423,1074 7.556,1075 23.202,1076 3.63,1077 14.134,1078 18.215,1079 6.091,1080 28.761,1081 13.803,1082 2.198,1083 6.869,1084 25.051,1085 3.233,1086 15.22,1087 19.672,1088 6.531,1089 31.131,1090 14.871,1091 2.08,1092 6.013,1093 26.91,1094 2.913,1095 16.356,1096 21.185,1097 7.083,1098 33.524,1099 15.987,1100 1.758,1101 5.851,1102 28.776,1103 2.766,1104 17.47,1105 22.668,1106 7.551,1107 35.906,1108 17.082,1109 9106,1110 14998,1111 20.285,1112 32.273,1113 45.208,1114 46.035,1115 46.177,1116 44.813,1117 44.781,1118 57.893,1119 5.406,1120 127.816,1121 42.968,1122 5.586,1123 5.564,1124 6.133,1125 5.22,1126 5.173,1127 7.52,1128 2.912,1129 18.077,1130 5.099,1131 11.979,1132 1.507,1133 1.534,1134 1.539,1135 1.494,1136 1.493,1137 1.93,1138 0.18,1139 4.261,1140 1.432,1141 4.132,1142 4.174,1143 4.094,1144 4.017,1145 8.201,1146 4.031,1147 3.912,1148 3.945,1149 3.862,1150 3.822,1151 7.431,1152 3.825,1153 3.807,1154 3.875,1155 3.688,1156 3.653,1157 5.04,1158 3.652,1159 3.537,1160 3.593,1161 3.482,1162 3.311,1163 4.665,1164 3.339,1165 3.302,1166 3.365,1167 3.213,1168 3.075,1169 4.424,1170 3.108,1171 3.17,1172 3.257,1173 3.007,1174 2.941,1175 4.32,1176 2.94,1177 3.111,1178 3.206,1179 2.866,1180 2.938,1181 3.915,1182 2.91,1183 2.894,1184 2.964,1185 2.815,1186 2.735,1187 3.838,1188 2.715,1189 0.153,1190 0.119,1191 0.224,1192 0.138,1193 0.106,1194 4.586,1195 0.151,1196 3.564,1197 0.055,1198 6.719,1199 0.365,1200 4.149,1201 0.103,1202 3.173,1203 4.52,1204 1.656,1205 10.946,1206 3.099,1207 1.92,1208 1.884,1209 2.068,1210 2.057,1211 1.436,1212 2.06,1213 1.877,1214 1.847,1215 1.983,1216 2.006,1217 1.049,1218 2,1219 1.805,1220 1.753,1221 1.924,1222 1.966,1223 1.022,1224 1.96,1225 1.453,1226 1.385,1227 1.659,1228 1.692,1229 0.825,1230 1.68,1231 1.297,1232 1.247,1233 1.513,1234 1.596,1235 0.808,1236 1.559,1237 1.153,1238 1.064,1239 1.498,1240 1.417,1241 0.558,1242 1.434,1243 1.142,1244 1.049,1245 1.38,1246 1.376,1247 0.384,1248 1.429,1249 0.949,1250 0.89,1251 1.181,1252 1.158,1253 0.27,1254 1.168,1255 4.111,1257 5.434,1258 2.398,1259 6.94,1260 4.727,1261 8.529,1262 6.843,1263 10.163,1265 2.144,1267 12.957,1271 4.367,1272 5.419,1275 0.478,1276 2.339,1280 30.946,1281 78.965,1282 186.185,1283 228.856,1284 242.366,1285 242.366,1286 242.366,1287 44.665,1288 7.613,1289 73.05,1290 73.05,1291 23,1292 12.491,1293 4.17,1294 3.322,1295 40.36,1296 111,1297 118,1298 0.177,1299 188.79,1300 321.16,1301 452.409,1302 22186,1303 2,1304 18.803,1305 0.696,1306 0.56,1307 17.933,1308 15.128,1309 13.081,1310 0.436,1311 0.303,1312 8.943,1313 12.525,1314 8.762,1315 7.247,1316 12.687,1317 9.085,1318 12.067,1319 0.287,1320 0.167,1321 11.445,1322 7,1323 9.85,1324 0.182,1325 0.094,1326 9.44,1327 5.054,1328 8.175,1329 0.115,1330 0.05,1331 8.033,1332 3.532,1333 6.784,1334 0.075,1335 0.028,1336 6.493,1337 2.54,1338 0.281,1339 82.302,1340 0.222,1341 26.211,1342 0.473,1343 144,1344 448.135,1345 159.897,1346 411.397,1347 556.52,1348 384,1349 168,1350 408.026,1351 182.757,1352 408.286,1353 594.69,1354 384,1355 8.42} {0 CHEMBL105556,1 1.734,2 8.524,3 2.19,4 4.797,5 80.749,6 7.736,7 0.435,8 3.803,9 3.908,10 3.596,11 3.326,12 4.771,13 3.284,14 4.405,15 4.575,16 3.82,17 3.713,18 5.7,19 3.669,20 4.626,21 4.835,22 3.751,23 3.843,24 5.601,25 3.747,26 4.656,27 4.905,28 3.706,29 3.835,30 5.614,31 3.699,32 4.597,33 4.857,34 3.619,35 3.707,36 5.55,37 3.582,38 4.417,39 4.648,40 3.562,41 3.568,42 5.403,43 3.456,44 4.278,45 4.476,46 3.466,47 3.444,48 5.383,49 3.329,50 4.253,51 4.479,52 3.138,53 3.276,54 5.302,55 3.11,56 0.103,57 0.621,58 11.723,59 4.107,60 15.228,61 4.929,62 0.537,63 0.982,64 20.386,65 6.563,66 66.867,67 8.595,68 0.434,69 1.143,70 24.073,71 8.064,72 49.118,73 10.986,74 0.376,75 1.158,76 26.181,77 8.885,78 44.901,79 12.423,80 0.394,81 1.05,82 25.622,83 7.86,84 43.267,85 10.992,86 0.378,87 0.895,88 21.126,89 6.518,90 33.407,91 8.726,92 0.315,93 0.768,94 19.974,95 6.432,96 34.526,97 7.918,98 0.47,99 0.683,100 22.028,101 5.774,102 51.791,103 6.846,104 19,105 34,106 0.309,107 0.63,108 0.799,109 0.808,110 0.808,111 0.808,112 3.104,113 1.148,114 -2.45,115 -2.48,116 -2.42,119 35,121 2,122 1,124 2,125 2,140 2,141 1,144 1,145 1,149 1,150 1,169 4,171 4,172 5,176 2,178 3,182 4,184 1,186 2,189 1,192 2,193 6,197 2,199 2,203 3,206 1,211 3,214 1,215 4,218 1,222 2,226 3,229 2,236 1,237 5,259 557,260 13.618,261 13.618,262 13.618,263 13.618,264 13.618,265 12.137,266 16.037,267 7.811,268 13.98,269 11.38,270 11.38,271 11.38,272 11.38,273 11.38,274 9.034,275 18.173,276 3.755,277 12,278 3.588,279 1.784,280 0.838,281 0.788,282 0.788,283 0.788,284 3.778,287 1,288 1,289 1,290 378,291 3.162,294 43.974,295 112.172,298 80.037,302 1.406,303 24.678,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46.5,315 179,316 4.659,317 5.052,318 6.721,319 4.161,320 3.199,321 4.536,322 3.324,323 10.956,324 3.099,325 4.562,326 3.302,327 6.451,328 4.041,329 3.1,330 4.419,331 0.8,332 10.179,333 2.873,334 3.78,335 2.836,336 5.768,337 3.548,338 2.586,339 3.132,341 7.858,342 2.491,343 3.524,344 2.673,345 5.153,346 3.181,347 2.253,348 2.811,350 6.39,351 2.086,352 3.294,353 2.374,354 5.031,355 2.988,356 2.058,357 2.39,359 5.988,360 1.903,361 2.849,362 1.793,363 4.546,364 2.471,365 1.502,366 1.955,368 4.356,369 1.452,370 2.553,371 1.522,372 3.966,373 2.095,374 1.147,375 1.569,377 3.041,378 1.084,379 2.047,380 1.158,381 3.414,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 1.077,390 3.278,391 1.592,392 0.638,393 0.877,395 1.569,396 0.606,397 1.232,398 0.687,399 3.096,400 0.893,401 -0.035,402 -0.041,404 -0.093,405 -0.032,406 1,407 0.152,408 2.489,409 0.675,410 -0.271,411 -0.298,413 -0.677,414 -0.255,415 0.839,416 -0.03,417 2.33,418 0.126,419 -0.848,420 -1,422 -2.415,423 -0.762,424 0.631,425 -0.322,426 2,427 0.066,428 -0.888,429 -1.044,431 -2.68,432 -0.835,433 0.5,434 -0.78,435 2,437 -1,438 -1.212,440 -3,441 -0.85,442 0.235,443 -0.784,444 2,445 -0.049,446 -1,447 -1.295,449 -3,450 -0.946,451 10.033,452 0.478,453 0.75,454 0.036,455 25.75,456 1.226,457 11.5,458 0.548,459 14.25,460 0.679,461 17.264,462 0.822,463 24.167,464 0.604,465 17.277,466 0.823,467 4.628,468 0.22,469 5.294,470 0.252,471 0.166,472 0.083,473 0.289,479 0.59,480 1.585,481 0.816,482 1.428,483 0.667,484 1.074,485 0.643,486 1.092,487 0.924,488 0.994,489 0.369,490 0.904,491 1.061,492 1.023,493 0.853,494 0.884,495 0.934,496 1.04,497 0.528,498 1.035,499 0.765,500 0.937,501 0.383,502 1.011,503 0.765,504 0.944,505 0.791,506 0.854,507 0.691,508 0.913,509 1.027,510 0.877,511 0.872,512 0.876,513 0.879,514 0.967,515 0.995,516 1.276,517 1.169,518 1.304,519 0.822,520 1.179,521 1.652,522 0.902,523 1.597,524 1.164,525 1.652,526 1.139,527 6,528 0.087,529 2.444,530 1.507,531 1.161,532 0.657,533 0.617,534 0.415,535 0.193,536 0.09,537 4090,538 11682,539 2.034,540 47.5,541 1,542 12,543 1,545 1,547 4,550 1.633,551 1.867,552 3.084,553 -0.197,554 1,555 1,557 1,559 69.354,560 1.734,561 3.538,562 4.484,563 4.534,564 4.534,565 4.534,566 2.506,567 3.749,568 4.362,569 3.22,570 676.217,571 7.482,572 7032.99,573 1,574 1,576 1,577 212.877,578 1.691,579 4.295,580 0.261,581 0.022,582 0.072,583 0.05,584 0.041,585 0.026,586 0.028,587 0.021,588 0.016,589 0.01,590 0.547,591 0.5,592 1,593 1.083,594 93.945,595 0.105,596 -0.281,597 0.268,598 -0.17,599 -0.141,600 -0.009,601 0.325,602 0.039,603 0.005,604 0.009,605 0.433,606 0.067,607 -0.152,608 -0.021,609 -0.077,610 -0.003,611 -0.113,612 -0.073,613 0.104,614 -0.059,615 0.062,616 -0.025,617 0.128,618 -0.01,619 0.007,620 0.012,621 0.076,622 0.032,623 0.005,624 0.057,625 -0.079,626 0.115,627 0.03,628 0.039,629 -0.081,630 -0.011,631 0.041,632 -0.271,633 -0.085,634 -0.22,635 0.07,636 -0.182,637 -0.316,638 0.073,639 -0.352,640 -0.08,641 -0.26,642 -0.202,643 4.47,644 4.222,645 0.714,646 15.791,647 1.011,648 1.134,649 1.216,650 1.479,651 0.653,652 3.178,653 3.555,654 3.738,655 4.043,656 4.263,657 4.369,658 4.533,659 4.635,660 4.564,661 4.543,662 5.133,663 0.615,664 309.43,665 3.178,666 4.745,667 5.58,668 6.485,669 7.343,670 8.25,671 9.121,672 10.028,673 10.907,674 11.814,675 7.5,678 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 40,716 12,718 23,720 42,721 14,722 7,730 3,731 4,740 2,741 1,743 2,745 7,746 7,747 1,750 2,753 1,755 2,760 1,761 1,764 19,765 5,766 1,767 7,768 1,773 3,777 0.667,778 3,786 1,788 1,792 1,793 2,796 1,815 1,819 2,821 1,823 2,827 21,831 1,833 4,835 1,837 1,838 1,847 7.5,850 2,852 1,854 11.25,855 7.65,856 4.375,857 2.34,858 2.244,859 1.326,860 0.986,861 3.843,862 9.121,863 3.434,864 4.099,865 4.539,866 5.193,867 5.697,868 6.089,869 6.545,870 6.929,871 6.889,872 7.085,873 0.833,874 30,875 7.969,877 3.592,878 7.877,879 15.018,881 12.748,883 2.377,884 49.917,885 0.001,888 211.88,889 72.905,890 36.695,892 52.858,894 7.75,895 65.156,896 264.738,897 36.695,898 15.587,899 9.28,900 35.75,901 61.098,902 33.785,903 18.73,904 200.109,906 211.88,907 101.851,908 52.858,909 7.75,911 164.795,912 99.943,915 31.334,916 53.731,917 24.535,919 211.88,920 89.554,921 72.905,923 7.75,924 211.88,925 21.569,926 46.711,927 16.786,928 69.644,929 211.88,930 89.554,931 72.905,933 0.6,934 0.309,935 0.167,936 0.096,937 18,938 8,939 0.071,940 3,941 1,942 1.133,943 3.271,944 163.714,945 0.133,946 15,947 86.239,950 1,951 14.668,952 5.502,953 3.325,954 1.718,955 72.768,956 5.359,957 4.369,958 3.206,961 1.274,963 16.786,964 374.339,965 30,968 -3.553,970 22.444,975 40.433,976 45.365,977 0.326,978 0.665,979 0.843,980 0.852,981 0.852,982 0.852,983 4.705,984 1,985 5.631,986 3.041,987 4.234,988 4.783,989 3.18,990 6.482,991 4.133,992 5.963,993 0.638,994 7.219,995 2.275,996 4.111,997 5.027,998 0.325,999 7.644,1000 3.934,1001 7.333,1002 -0.035,1003 8.909,1004 1.569,1005 5.932,1006 7.158,1007 5.504,1008 10.604,1009 5.732,1010 8.739,1011 -0.271,1012 10.657,1013 -0.093,1014 6.538,1015 8.166,1016 0.268,1017 12.504,1018 6.268,1019 10.178,1020 -0.848,1021 12.442,1022 -0.677,1023 7.926,1024 9.887,1025 7.901,1026 15.067,1027 7.629,1028 11.638,1029 -0.888,1030 14.25,1031 -2.415,1032 8.836,1033 11.189,1034 0.188,1035 17.248,1036 8.48,1037 13.114,1038 -1,1039 16.075,1040 -2.68,1041 10.068,1042 12.774,1043 10.303,1044 19.685,1045 9.679,1046 3.199,1047 -1,1048 17.914,1049 -3,1050 11.11,1051 14.193,1052 0.125,1053 21.978,1054 10.67,1055 3.1,1056 10.956,1057 19.762,1058 -3,1059 12.285,1060 15.727,1061 12.705,1062 24.373,1063 11.808,1064 2.586,1065 10.179,1066 21.618,1067 4.536,1068 13.385,1069 17.194,1070 0.082,1071 26.712,1072 12.863,1073 2.253,1074 7.858,1075 23.48,1076 4.419,1077 14.54,1078 18.708,1079 15.107,1080 29.093,1081 13.979,1082 2.058,1083 6.39,1084 25.348,1085 3.132,1086 15.667,1087 20.195,1088 0.054,1089 31.452,1090 15.064,1091 1.502,1092 5.988,1093 27.22,1094 2.811,1095 16.816,1096 21.702,1097 17.51,1098 33.829,1099 16.175,1100 1.147,1101 4.356,1102 29.095,1103 2.39,1104 17.955,1105 23.197,1106 0.035,1107 36.198,1108 17.274,1109 4067,1110 7079,1111 14.909,1112 26.12,1113 35.062,1114 37.482,1115 35.719,1116 35.062,1117 34.965,1118 45.378,1119 8.248,1120 105.221,1121 33.155,1122 5.659,1123 7.052,1124 6.135,1125 5.221,1126 5.199,1127 7.536,1128 6.648,1129 18.088,1130 5.058,1131 11.383,1132 1.524,1133 1.63,1134 1.553,1135 1.524,1136 1.52,1137 1.973,1138 0.359,1139 4.575,1140 1.442,1141 4.137,1142 4.171,1143 4.709,1144 4.027,1145 7.722,1146 4.032,1147 3.91,1148 3.881,1149 4.077,1150 3.863,1151 6.999,1152 3.725,1153 3.794,1154 3.821,1155 3.679,1156 3.644,1157 5.057,1158 3.635,1159 3.372,1160 3.428,1161 3.294,1162 3.229,1163 4.508,1164 3.229,1165 3.183,1166 3.278,1167 3.009,1168 2.953,1169 4.332,1170 2.949,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.922,1176 2.91,1177 2.837,1178 2.921,1179 2.707,1180 2.609,1181 3.838,1182 2.626,1183 2.685,1184 2.775,1185 2.401,1186 2.386,1187 3.71,1188 2.354,1189 0.203,1190 0.22,1191 0.292,1192 0.181,1193 0.139,1194 4.659,1195 0.197,1196 5.052,1197 0.145,1198 6.721,1199 0.476,1200 4.161,1201 0.135,1202 3.199,1203 4.536,1204 3.324,1205 10.956,1206 3.099,1207 1.916,1208 1.89,1209 2.067,1210 2.051,1211 1.436,1212 2.059,1213 1.809,1214 1.776,1215 1.911,1216 1.984,1217 1.021,1218 1.984,1219 1.632,1220 1.672,1221 1.659,1222 1.783,1223 0.899,1224 1.844,1225 1.452,1226 1.384,1227 1.594,1228 1.672,1229 0.825,1230 1.672,1231 1.162,1232 1.066,1233 1.513,1234 1.433,1235 0.805,1236 1.46,1237 1.153,1238 1.064,1239 1.483,1240 1.376,1241 0.557,1242 1.429,1243 0.951,1244 0.896,1245 1.187,1246 1.147,1247 0.321,1248 1.169,1249 0.632,1250 0.563,1251 1.006,1252 0.98,1253 0.191,1254 1.011,1255 3.85,1257 5.209,1258 2.398,1259 6.739,1260 4.727,1261 8.346,1262 6.843,1263 9.996,1265 3.148,1271 4.304,1273 4.878,1275 0.455,1276 2.316,1280 24.61,1281 69.354,1282 141.519,1283 179.367,1284 181.367,1285 181.367,1286 181.367,1287 34.861,1288 6.877,1289 75.29,1290 83.67,1291 17,1292 12.337,1293 3.7,1294 3,1295 32.122,1296 63,1297 67,1298 0.254,1299 154.676,1300 259.2,1301 369.169,1302 7753,1304 15.035,1305 0.716,1306 0.618,1307 15.285,1308 12.982,1309 9.922,1310 0.431,1311 0.383,1312 7.019,1313 8.725,1314 6.645,1315 5.511,1316 10.848,1317 8.799,1318 10.129,1319 0.298,1320 0.213,1321 11.511,1322 7.23,1323 7.144,1324 0.174,1325 0.107,1326 7.595,1327 4.395,1328 6.213,1329 0.111,1330 0.058,1331 6.739,1332 3.237,1333 5.002,1334 0.071,1335 0.033,1336 5.357,1337 2.291,1338 0.388,1339 72.119,1340 0.259,1341 20.559,1342 0.727,1343 114,1344 355.69,1345 158.566,1346 357.675,1347 480.92,1348 328,1349 132,1350 330.544,1351 184.726,1352 366.705,1353 528.43,1354 340,1355 8.097} {0 CHEMBL105722,1 1.511,2 10.64,3 2.694,4 7.26,5 96.37,6 7.292,7 0.571,8 3.935,9 4.068,10 3.495,11 3.467,12 4.996,13 3.449,14 4.483,15 4.672,16 3.849,17 3.876,18 5.5,19 3.832,20 4.746,21 4.972,22 3.872,23 4.01,24 5.731,25 3.921,26 4.801,27 5.06,28 3.761,29 3.959,30 5.752,31 3.846,32 4.706,33 4.972,34 3.692,35 3.828,36 5.666,37 3.732,38 4.535,39 4.778,40 3.612,41 3.739,42 5.517,43 3.661,44 4.453,45 4.684,46 3.549,47 3.691,48 5.451,49 3.6,50 4.444,51 4.703,52 3.372,53 3.589,54 5.394,55 3.48,56 0.025,57 0.73,58 9.659,59 3.848,60 6.709,61 5.392,62 0.192,63 1.177,64 18.326,65 6.457,66 19.238,67 9.365,68 0.28,69 1.402,70 25.231,71 8.886,72 36.707,73 12.919,74 0.275,75 1.379,76 27.915,77 9.384,78 42.979,79 13.954,80 0.303,81 1.247,82 25.88,83 8.186,84 42.163,85 12.179,86 0.29,87 1.118,88 21.079,89 6.433,90 30.005,91 9.55,92 0.179,93 1.024,94 18.901,95 6.504,96 26.329,97 9.594,98 0.28,99 0.957,100 19.767,101 6.299,102 32.475,103 9.206,104 5,105 39,106 0.258,107 0.638,108 0.808,109 0.851,110 0.851,111 0.851,112 3.267,113 0.921,114 -2.96,115 -2.97,116 -2.86,119 41.3,121 2,122 1,124 1,125 2,140 5,141 1,143 1,144 2,145 1,149 1,150 1,156 1,169 6,172 6,174 2,176 3,178 4,181 1,182 5,184 2,186 4,189 1,192 1,193 5,197 4,199 2,202 1,203 4,207 1,208 2,211 4,214 1,215 3,218 1,220 2,222 4,226 4,229 1,233 3,237 4,240 2,242 1,244 3,249 2,254 1,256 4,259 884,260 17.154,261 17.154,262 17.154,263 17.154,264 17.154,265 15.206,266 18.887,267 10.164,268 17.473,269 13.836,270 13.836,271 13.836,272 13.836,273 13.836,274 10.874,275 24.753,276 4.861,277 14.336,278 4.012,279 1.789,280 0.791,281 0.538,282 0.538,283 0.538,284 3.967,287 1,288 1,289 1,290 585,291 2.739,294 55.522,295 220.238,298 99.052,302 1.654,303 19.574,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 53.5,315 266,316 4.587,317 3.572,318 6.719,319 4.15,320 3.173,321 4.52,322 1.058,323 10.946,324 3.099,325 4.16,326 3.295,327 6.05,328 3.802,329 2.818,330 3.683,331 0.8,332 8.694,333 2.765,334 3.795,335 2.783,336 5.771,337 3.554,338 2.588,339 3.172,341 7.864,342 2.503,343 3.57,344 2.539,345 5.248,346 3.236,347 2.298,348 2.846,350 6.621,351 2.154,352 3.302,353 2.262,354 5.033,355 3.05,356 2.106,357 2.466,359 5.999,360 1.981,361 3.203,362 2.152,363 4.548,364 2.707,365 1.711,366 2.39,368 4.366,369 1.696,370 2.85,371 1.522,372 4.2,373 2.471,374 1.502,375 1.956,377 3.94,378 1.452,379 2.591,380 1.323,381 3.956,382 2.119,383 1.168,384 1.604,386 3.039,387 1.107,388 2.517,389 1.18,390 3.452,391 2.014,392 1.018,393 1.5,395 2.467,396 1.007,397 2.5,398 1.077,399 3.414,400 1.984,401 1,402 1.472,404 2.275,405 0.983,406 2.04,407 1,408 3.247,409 1.956,410 1,411 1,413 2.136,414 0.953,415 2,416 0.749,417 3.233,418 1.578,419 0.616,420 0.856,422 1.506,423 0.59,424 1.216,425 0.417,426 2.722,427 0.874,428 -0.094,429 -0.109,431 -0.223,432 -0.09,433 0.843,434 -0.024,435 2.485,436 0.662,437 -0.302,438 -0.35,440 -0.742,441 -0.289,442 0.748,443 -0.421,444 2.236,445 0.255,446 -0.742,447 -1,449 -1.607,450 -0.721,451 11.833,452 0.473,453 0.554,454 0.022,455 33,456 1.32,457 16,458 0.64,459 17,460 0.68,461 19.196,462 0.768,463 26.567,464 0.578,465 22.636,466 0.905,467 6.374,468 0.255,469 5.83,470 0.233,471 0.07,473 0.33,479 0.823,480 1.423,481 0.797,482 1.094,483 0.575,484 0.96,485 0.856,486 1.143,487 0.9,488 0.983,489 0.544,490 0.943,491 0.846,492 1.07,493 0.992,494 1.077,495 0.747,496 1.056,497 0.899,498 1.043,499 0.949,500 1.03,501 0.851,502 1,503 1.101,504 0.941,505 0.897,506 0.888,507 1.154,508 0.871,509 1.273,510 0.901,511 1.071,512 0.88,513 1.134,514 0.928,515 0.866,516 1.156,517 0.986,518 1.113,519 0.81,520 1.068,521 1.253,522 0.808,523 1.079,524 0.898,525 1.377,526 0.956,527 4.5,528 0.05,529 2.889,530 1.444,531 1.192,532 0.671,533 0.415,534 0.404,535 0.26,536 0.115,537 7559,538 17685,539 2.154,540 45.7,541 1,542 12,543 1,544 1,545 2,547 4,550 1.679,551 2.055,552 3.399,553 0.273,554 1,555 1,559 69.525,560 1.511,561 3.735,562 4.733,563 4.985,564 4.985,565 4.985,566 2.903,567 4.164,568 4.614,569 3.512,570 1053.57,571 7.977,572 12699.1,574 1,576 1,577 254.084,578 1.26,579 4.592,580 0.161,581 0.004,582 0.074,583 0.038,584 0.036,585 0.022,586 0.014,587 0.015,588 0.012,589 0.006,590 0.381,591 0.5,592 1,593 0.477,594 120.666,595 -0.049,596 -0.213,597 0.059,598 -0.049,599 -0.009,600 0.009,601 0.037,602 -0.009,603 0.016,604 0.009,605 0.095,606 0.011,607 0.065,608 -0.044,609 -0.041,610 -0.086,611 0.102,612 -0.08,613 0.033,614 -0.096,615 0.035,616 -0.049,617 0.099,618 -0.011,619 0.003,620 0.002,621 0.115,622 0.066,623 0.01,624 0.098,625 -0.135,626 0.138,627 -0.081,628 0.054,629 -0.112,630 0.006,631 0.045,632 -0.147,633 -0.029,634 -0.126,635 0.042,636 -0.09,637 -0.1,638 0.156,639 -0.074,640 0.055,641 -0.149,642 0.003,643 1.913,644 5.284,645 0.84,646 21.952,647 0.998,648 1.131,649 1.734,650 3.006,651 0.665,652 3.367,653 3.689,654 3.97,655 4.234,656 4.466,657 4.522,658 4.673,659 4.812,660 4.875,661 4.92,662 6.143,663 0.631,664 335.45,665 3.367,666 4.905,667 5.759,668 6.635,669 7.506,670 8.388,671 9.268,672 10.154,673 11.039,674 11.929,675 10.9,678 1,682 1,683 1,685 2,687 2,688 7,689 2,690 1,693 3,695 16,702 1,714 46,716 17,718 28,720 49,721 19,722 12,725 1,730 4,731 5,740 2,741 1,743 2,745 13,746 6,747 1,750 1,755 1,759 1,760 1,761 1,764 21,765 5,766 2,767 6,773 5,777 0.75,778 1,786 2,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 25,833 4,834 1,837 1,838 1,847 2.2,850 1,854 12.167,855 8.433,856 5.444,857 2.811,858 2.991,859 1.401,860 1.013,861 4.41,862 10.458,863 3.638,864 4.23,865 4.831,866 5.427,867 5.936,868 6.215,869 6.64,870 7.025,871 7.176,872 7.485,873 1,874 38,875 9.251,877 3.96,878 7.633,879 17.941,881 15.024,883 2.133,884 53.333,887 1,888 223.651,889 100.416,890 71.492,892 25.145,895 100.416,896 248.796,897 71.492,898 8.396,899 27.291,900 56.429,901 75.192,902 37.044,903 16.243,904 200.109,906 223.651,907 171.908,908 25.145,911 176.567,912 72.229,915 61.149,916 77.187,917 33.571,919 223.651,920 96.637,921 100.416,924 223.651,925 26.544,926 76.997,927 34.796,928 58.716,929 223.651,930 96.637,931 100.416,933 0.581,934 0.339,935 0.182,936 0.101,937 20,938 8,939 0.061,940 3,941 1,942 1.095,943 3.792,944 209.872,945 0.095,946 21,947 112.096,951 16.099,952 6.849,953 3.377,954 1.957,955 79.851,956 12.729,957 8.765,958 3.308,961 2.183,963 34.796,964 420.704,965 37,970 12.284,974 -0.246,975 45.905,976 52.023,977 0.274,978 0.676,979 0.857,980 0.903,981 0.903,982 0.903,983 4.868,984 1.168,985 5.733,986 3.94,987 4.369,988 4.916,989 1.435,990 6.532,991 4.303,992 6.059,993 1.018,994 7.281,995 3.039,996 3.892,997 4.663,998 0.325,999 7.402,1000 3.805,1001 7.356,1002 1,1003 8.93,1004 2.467,1005 5.948,1006 7.115,1007 1.379,1008 10.509,1009 5.823,1010 8.691,1011 1,1012 10.639,1013 2.275,1014 6.312,1015 7.76,1016 0.268,1017 12.246,1018 6.175,1019 10.061,1020 0.616,1021 12.388,1022 2.136,1023 7.816,1024 9.661,1025 1.406,1026 14.863,1027 7.644,1028 11.457,1029 -0.094,1030 14.166,1031 1.506,1032 8.574,1033 10.744,1034 0.188,1035 16.965,1036 8.393,1037 12.875,1038 -0.302,1039 15.964,1040 -0.223,1041 9.85,1042 12.414,1043 1.462,1044 19.421,1045 9.638,1046 3.173,1047 -0.742,1048 17.779,1049 -0.742,1050 10.802,1051 13.715,1052 0.125,1053 21.681,1054 10.578,1055 2.818,1056 10.946,1057 19.607,1058 -1.607,1059 11.984,1060 15.285,1061 1.533,1062 24.085,1063 11.734,1064 2.588,1065 8.694,1066 21.446,1067 4.52,1068 13.03,1069 16.692,1070 0.082,1071 26.416,1072 12.764,1073 2.298,1074 7.864,1075 23.293,1076 3.683,1077 14.177,1078 18.221,1079 1.613,1080 28.805,1081 13.887,1082 2.106,1083 6.621,1084 25.148,1085 3.172,1086 15.269,1087 19.679,1088 0.054,1089 31.168,1090 14.96,1091 1.711,1092 5.999,1093 27.009,1094 2.846,1095 16.406,1096 21.191,1097 1.698,1098 33.554,1099 16.074,1100 1.502,1101 4.366,1102 28.875,1103 2.466,1104 17.522,1105 22.674,1106 0.035,1107 35.932,1108 17.169,1109 7104,1110 11032,1111 19.186,1112 30.574,1113 42.513,1114 43.025,1115 42.886,1116 42.014,1117 41.997,1118 54.931,1119 3.717,1120 119.706,1121 40.581,1122 5.587,1123 5.572,1124 6.521,1125 5.212,1126 5.173,1127 7.52,1128 2.117,1129 18.077,1130 5.062,1131 9.062,1132 1.518,1133 1.537,1134 1.532,1135 1.5,1136 1.5,1137 1.962,1138 0.133,1139 4.275,1140 1.449,1141 4.133,1142 4.174,1143 4.094,1144 4.018,1145 7.429,1146 4.032,1147 3.88,1148 3.918,1149 3.83,1150 3.763,1151 5.041,1152 3.773,1153 3.804,1154 3.872,1155 3.684,1156 3.652,1157 4.86,1158 3.651,1159 3.481,1160 3.541,1161 3.409,1162 3.295,1163 4.422,1164 3.313,1165 3.254,1166 3.329,1167 3.144,1168 3.052,1169 4.319,1170 3.07,1171 3.135,1172 3.206,1173 2.986,1174 2.941,1175 3.913,1176 2.928,1177 3.111,1178 3.192,1179 2.866,1180 2.93,1181 3.835,1182 2.91,1183 2.832,1184 2.913,1185 2.705,1186 2.648,1187 3.712,1188 2.648,1189 0.164,1190 0.128,1191 0.24,1192 0.148,1193 0.113,1194 4.587,1195 0.161,1196 3.572,1197 0.038,1198 6.719,1199 0.391,1200 4.15,1201 0.111,1202 3.173,1203 4.52,1204 1.058,1205 10.946,1206 3.099,1207 1.921,1208 1.886,1209 2.068,1210 2.058,1211 1.436,1212 2.06,1213 1.84,1214 1.801,1215 1.958,1216 2.003,1217 1.028,1218 1.995,1219 1.793,1220 1.745,1221 1.91,1222 1.941,1223 0.944,1224 1.935,1225 1.453,1226 1.385,1227 1.659,1228 1.685,1229 0.825,1230 1.677,1231 1.253,1232 1.206,1233 1.513,1234 1.517,1235 0.807,1236 1.508,1237 1.153,1238 1.064,1239 1.494,1240 1.382,1241 0.558,1242 1.429,1243 1.129,1244 1.043,1245 1.34,1246 1.376,1247 0.386,1248 1.387,1249 0.925,1250 0.873,1251 1.166,1252 1.111,1253 0.278,1254 1.134,1255 4.043,1257 5.361,1258 2.398,1259 6.876,1260 4.727,1261 8.476,1262 6.843,1263 10.119,1265 2.162,1271 4.478,1272 2.843,1275 0.513,1276 2.358,1280 29.036,1281 69.525,1282 171.803,1283 217.719,1284 229.329,1285 229.329,1286 229.329,1287 34.928,1288 7.467,1289 73.91,1290 73.91,1291 23,1292 12.459,1293 4.17,1294 3.322,1295 35.955,1296 92,1297 91,1298 0.192,1299 178,1300 297.79,1301 426.08,1302 17846,1304 17.225,1305 0.689,1306 0.568,1307 17.225,1308 14.197,1309 12.204,1310 0.436,1311 0.307,1312 8.479,1313 11.765,1314 8.288,1315 6.867,1316 12.204,1317 8.595,1318 10.975,1319 0.281,1320 0.169,1321 10.975,1322 6.583,1323 9.403,1324 0.181,1325 0.093,1326 9.403,1327 4.849,1328 7.797,1329 0.115,1330 0.05,1331 7.797,1332 3.397,1333 6.397,1334 0.074,1335 0.028,1336 6.397,1337 2.45,1338 0.301,1339 76.22,1340 0.228,1341 24.306,1342 0.528,1343 134,1344 355.337,1345 145.567,1346 349.047,1347 484.45,1348 328,1349 158,1350 362.904,1351 170.429,1352 369.518,1353 540.53,1354 348,1355 6.086} {0 CHEMBL105743,1 1.458,2 10.64,3 3.417,4 11.672,5 98.899,6 7.116,7 0.571,8 3.947,9 4.079,10 3.488,11 3.502,12 4.985,13 3.472,14 4.497,15 4.683,16 3.842,17 3.917,18 5.488,19 3.86,20 4.77,21 4.995,22 3.864,23 4.052,24 5.708,25 3.952,26 4.838,27 5.098,28 3.763,29 3.992,30 5.782,31 3.871,32 4.727,33 4.996,34 3.685,35 3.855,36 5.661,37 3.751,38 4.552,39 4.793,40 3.608,41 3.774,42 5.519,43 3.686,44 4.479,45 4.711,46 3.545,47 3.735,48 5.453,49 3.631,50 4.47,51 4.729,52 3.36,53 3.64,54 5.387,55 3.518,56 0.037,57 0.717,58 10.122,59 4.127,60 6.984,61 5.756,62 0.197,63 1.176,64 18.899,65 7.018,66 18.73,67 10.051,68 0.2,69 1.431,70 25.969,71 9.602,72 29.769,73 13.814,74 0.296,75 1.436,76 29.14,77 10.01,78 45.861,79 14.706,80 0.283,81 1.287,82 26.447,83 8.588,84 40.252,85 12.702,86 0.29,87 1.147,88 21.541,89 6.833,90 29.815,91 10.032,92 0.183,93 1.049,94 19.555,95 7.066,96 26.411,97 10.288,98 0.252,99 0.99,100 20.254,101 6.796,102 30.182,103 9.832,104 5,105 39,106 0.248,107 0.609,108 0.759,109 0.816,110 0.826,111 0.826,112 3.267,113 0.936,114 -3.96,115 -3.92,116 -3.71,119 42.6,121 2,122 1,124 1,125 2,140 7,141 2,144 1,145 1,149 1,150 1,156 1,169 10,172 5,174 2,176 4,178 9,182 5,184 1,186 5,189 4,192 1,193 7,197 5,199 3,203 4,207 1,208 2,211 6,214 1,215 3,218 1,220 2,222 7,226 3,229 1,231 1,233 6,237 3,240 1,242 2,244 7,254 2,256 7,259 884,260 17.154,261 17.154,262 17.154,263 17.154,264 17.154,265 15.206,266 18.887,267 10.164,268 17.41,269 13.836,270 13.836,271 13.836,272 13.836,273 13.836,274 10.874,275 24.753,276 4.861,277 14.236,278 4.097,279 1.972,280 1.089,281 0.756,282 0.697,283 0.697,284 3.967,287 1,288 1,289 1,290 585,291 2.739,294 55.522,295 220.238,298 99.052,302 1.654,303 17.806,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 53,315 266,316 4.587,317 3.572,318 6.719,319 4.15,320 3.173,321 4.52,322 1.058,323 10.946,324 3.099,325 4.16,326 3.295,327 6.05,328 3.818,329 2.818,330 3.683,331 0.8,332 8.694,333 2.814,334 3.795,335 2.783,336 5.771,337 3.556,338 2.588,339 3.172,341 7.864,342 2.507,343 3.57,344 2.539,345 5.248,346 3.241,347 2.298,348 2.846,350 6.621,351 2.163,352 3.302,353 2.262,354 5.033,355 3.053,356 2.106,357 2.466,359 5.999,360 1.985,361 3.203,362 2.152,363 4.548,364 2.717,365 1.711,366 2.39,368 4.366,369 1.713,370 2.85,371 1.522,372 4.2,373 2.471,374 1.502,375 1.956,377 3.94,378 1.452,379 2.591,380 1.323,381 3.956,382 2.123,383 1.168,384 1.604,386 3.039,387 1.112,388 2.517,389 1.18,390 3.452,391 2.023,392 1.018,393 1.5,395 2.467,396 1.017,397 2.5,398 1.077,399 3.414,400 2,401 1,402 1.472,404 2.275,405 1,406 2.04,407 1,408 3.247,409 1.984,410 1,411 1,413 2.136,414 0.983,415 2,416 0.749,417 3.233,418 1.579,419 0.616,420 0.856,422 1.506,423 0.591,424 1.216,425 0.417,426 2.722,427 0.874,428 -0.094,429 -0.109,431 -0.223,432 -0.09,433 0.843,434 -0.024,435 2.485,436 0.663,437 -0.302,438 -0.35,440 -0.742,441 -0.289,442 0.748,443 -0.421,444 2.236,445 0.281,446 -0.742,447 -1,449 -1.607,450 -0.74,451 11.933,452 0.477,453 0.554,454 0.022,455 32.5,456 1.3,457 16,458 0.64,459 16.5,460 0.66,461 19.478,462 0.779,463 26.467,464 0.563,465 22.353,466 0.894,467 6.292,468 0.252,469 5.911,470 0.236,471 0.07,473 0.327,479 0.817,480 1.334,481 0.824,482 1.056,483 0.577,484 0.953,485 0.822,486 1.09,487 0.921,488 0.979,489 0.53,490 0.955,491 0.907,492 1.144,493 1.004,494 1.113,495 0.783,496 1.075,497 1.013,498 1.042,499 0.971,500 1.006,501 0.999,502 0.986,503 1.191,504 0.957,505 0.9,506 0.862,507 1.19,508 0.848,509 1.344,510 0.871,511 1.098,512 0.868,513 1.169,514 0.929,515 0.846,516 1.127,517 0.995,518 1.099,519 0.797,520 1.065,521 1.325,522 0.803,523 1.095,524 0.885,525 1.39,526 0.949,527 4.5,528 0.05,529 2.889,530 1.444,531 1.192,532 0.671,533 0.415,534 0.404,535 0.26,536 0.115,537 7559,538 16799,539 2.154,540 46.8,541 1,542 14,543 1,545 2,547 4,550 1.679,551 2.055,552 3.399,553 0.233,555 1,559 68.52,560 1.458,561 3.583,562 4.466,563 4.799,564 4.858,565 4.858,566 2.903,567 4.164,568 4.614,569 3.512,570 1053.57,571 7.977,572 12699.1,574 1,576 1,577 261.066,578 1.26,579 4.592,580 0.161,581 0.004,582 0.074,583 0.038,584 0.036,585 0.022,586 0.014,587 0.015,588 0.012,589 0.006,590 0.381,591 0.5,592 1,593 0.477,594 120.666,595 -0.037,596 -0.144,597 0.058,598 -0.018,599 -0.015,600 0.023,601 0.068,602 0.038,603 0.007,604 0.015,605 0.094,606 0.007,607 -0.012,608 -0.122,609 -0.052,610 -0.12,611 0.05,612 -0.096,613 0.026,614 -0.084,615 0.023,616 -0.04,617 0.079,618 -0.013,619 -0.026,620 0.006,621 0.116,622 0.082,624 0.11,625 -0.135,626 0.192,627 -0.1,628 0.059,629 -0.121,630 -0.001,631 0.068,632 -0.116,633 -0.034,634 -0.114,635 0.052,636 -0.088,637 -0.151,638 0.174,639 -0.092,640 0.069,641 -0.159,642 0.009,643 1.802,644 5.347,645 0.84,646 21.952,647 0.993,648 1.126,649 2.733,650 7.47,651 0.667,652 3.367,653 3.689,654 3.97,655 4.234,656 4.466,657 4.522,658 4.673,659 4.812,660 4.875,661 4.92,662 6.143,663 0.629,664 334.46,665 3.367,666 4.905,667 5.759,668 6.635,669 7.506,670 8.388,671 9.268,672 10.154,673 11.039,674 11.929,675 8.5,678 1,682 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,702 1,714 47,716 17,717 1,718 28,720 50,721 20,722 13,723 1,724 5,725 1,730 4,731 5,740 2,741 1,743 2,745 14,746 6,747 1,750 1,755 1,759 1,760 1,761 1,764 22,765 4,766 2,767 5,773 4,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 25,833 4,834 1,837 1,838 1,847 2.1,850 1,854 12.167,855 8.567,856 5.444,857 2.889,858 2.991,859 1.401,860 1.016,861 4.453,862 10.458,863 3.638,864 4.23,865 4.831,866 5.427,867 5.936,868 6.215,869 6.64,870 7.025,871 7.176,872 7.485,873 1,874 38,875 9.263,877 3.965,878 7.593,879 18.071,881 15.216,883 2.093,884 52.333,887 1,888 235.422,889 110.75,890 54.706,892 25.145,895 110.75,896 260.567,897 54.706,898 8.396,899 27.291,900 75.381,901 46.635,902 28.425,903 16.243,904 223.651,906 235.422,907 165.456,908 25.145,911 188.338,912 72.229,915 49.345,916 99.325,917 16.786,919 235.422,920 79.851,921 110.75,924 235.422,925 26.972,926 86.902,927 34.796,928 41.93,929 235.422,930 79.851,931 110.75,933 0.581,934 0.339,935 0.182,936 0.101,937 20,938 8,939 0.06,940 3,941 1,942 1.095,943 3.792,944 209.872,945 0.095,946 21,947 108.096,951 16.16,952 6.888,953 3.4,954 1.993,955 63.066,956 15.124,957 4.718,958 3.32,961 2.489,963 34.796,964 426.023,965 37,970 12.347,974 -0.135,975 46.687,976 52.939,977 0.262,978 0.645,979 0.804,980 0.864,981 0.875,982 0.875,983 4.868,984 1.168,985 5.733,986 3.94,987 4.369,988 4.916,989 1.435,990 6.532,991 4.316,992 6.059,993 1.018,994 7.281,995 3.039,996 3.892,997 4.663,998 0.325,999 7.402,1000 3.818,1001 7.356,1002 1,1003 8.93,1004 2.467,1005 5.948,1006 7.115,1007 1.379,1008 10.509,1009 5.847,1010 8.691,1011 1,1012 10.639,1013 2.275,1014 6.312,1015 7.76,1016 0.268,1017 12.246,1018 6.199,1019 10.061,1020 0.616,1021 12.388,1022 2.136,1023 7.816,1024 9.661,1025 1.406,1026 14.863,1027 7.677,1028 11.457,1029 -0.094,1030 14.166,1031 1.506,1032 8.574,1033 10.744,1034 0.188,1035 16.965,1036 8.426,1037 12.875,1038 -0.302,1039 15.964,1040 -0.223,1041 9.85,1042 12.414,1043 1.462,1044 19.421,1045 9.679,1046 3.173,1047 -0.742,1048 17.779,1049 -0.742,1050 10.802,1051 13.715,1052 0.125,1053 21.681,1054 10.618,1055 2.818,1056 10.946,1057 19.607,1058 -1.607,1059 11.984,1060 15.285,1061 1.533,1062 24.085,1063 11.778,1064 2.588,1065 8.694,1066 21.446,1067 4.52,1068 13.03,1069 16.692,1070 0.082,1071 26.416,1072 12.807,1073 2.298,1074 7.864,1075 23.293,1076 3.683,1077 14.177,1078 18.221,1079 1.613,1080 28.805,1081 13.932,1082 2.106,1083 6.621,1084 25.148,1085 3.172,1086 15.269,1087 19.679,1088 0.054,1089 31.168,1090 15.005,1091 1.711,1092 5.999,1093 27.009,1094 2.846,1095 16.406,1096 21.191,1097 1.698,1098 33.554,1099 16.119,1100 1.502,1101 4.366,1102 28.875,1103 2.466,1104 17.522,1105 22.674,1106 0.035,1107 35.932,1108 17.213,1109 7104,1110 10734,1111 19.186,1112 31.33,1113 42.513,1114 43.025,1115 42.886,1116 42.028,1117 41.997,1118 54.931,1119 3.717,1120 119.706,1121 40.873,1122 5.587,1123 5.572,1124 6.521,1125 5.21,1126 5.173,1127 7.52,1128 2.117,1129 18.077,1130 5.099,1131 9.062,1132 1.518,1133 1.537,1134 1.532,1135 1.501,1136 1.5,1137 1.962,1138 0.133,1139 4.275,1140 1.46,1141 4.133,1142 4.175,1143 4.095,1144 4.019,1145 7.429,1146 4.033,1147 3.91,1148 3.937,1149 3.85,1150 3.843,1151 5.04,1152 3.84,1153 3.805,1154 3.873,1155 3.684,1156 3.652,1157 4.726,1158 3.651,1159 3.482,1160 3.542,1161 3.41,1162 3.296,1163 4.422,1164 3.314,1165 3.254,1166 3.329,1167 3.144,1168 3.053,1169 4.319,1170 3.07,1171 3.136,1172 3.206,1173 2.986,1174 2.941,1175 3.913,1176 2.929,1177 3.111,1178 3.192,1179 2.866,1180 2.931,1181 3.712,1182 2.91,1183 2.854,1184 2.925,1185 2.705,1186 2.735,1187 3.695,1188 2.715,1189 0.164,1190 0.128,1191 0.24,1192 0.148,1193 0.113,1194 4.587,1195 0.161,1196 3.572,1197 0.038,1198 6.719,1199 0.391,1200 4.15,1201 0.111,1202 3.173,1203 4.52,1204 1.058,1205 10.946,1206 3.099,1207 1.93,1208 1.899,1209 2.069,1210 2.06,1211 1.436,1212 2.062,1213 1.89,1214 1.858,1215 2.02,1216 2.009,1217 1.08,1218 2.012,1219 1.801,1220 1.75,1221 1.92,1222 1.951,1223 1.018,1224 1.951,1225 1.453,1226 1.385,1227 1.659,1228 1.685,1229 0.825,1230 1.677,1231 1.253,1232 1.206,1233 1.513,1234 1.517,1235 0.807,1236 1.508,1237 1.153,1238 1.064,1239 1.494,1240 1.382,1241 0.558,1242 1.429,1243 1.129,1244 1.044,1245 1.342,1246 1.376,1247 0.388,1248 1.387,1249 0.927,1250 0.875,1251 1.181,1252 1.111,1253 0.281,1254 1.135,1255 4.043,1257 5.361,1258 2.398,1259 6.876,1260 4.727,1261 8.476,1262 6.843,1263 10.119,1265 2.168,1271 4.515,1272 2.905,1275 0.525,1276 2.365,1280 29.542,1281 68.52,1282 168.395,1283 209.904,1284 225.556,1285 228.311,1286 228.311,1287 35.026,1288 7.467,1289 61.02,1290 61.02,1291 23,1292 12.459,1293 4.17,1294 3.322,1295 35.955,1296 92,1297 91,1298 0.192,1299 180.798,1300 304.09,1301 432.907,1302 17846,1304 17.225,1305 0.689,1306 0.573,1307 17.225,1308 14.327,1309 12.204,1310 0.436,1311 0.312,1312 8.635,1313 11.834,1314 8.428,1315 6.991,1316 12.204,1317 8.735,1318 10.975,1319 0.281,1320 0.173,1321 10.975,1322 6.734,1323 9.403,1324 0.181,1325 0.096,1326 9.403,1327 4.988,1328 7.797,1329 0.115,1330 0.051,1331 7.797,1332 3.498,1333 6.397,1334 0.074,1335 0.029,1336 6.397,1337 2.522,1338 0.301,1339 75.766,1340 0.228,1341 24.306,1342 0.528,1343 134,1344 335.691,1345 143.847,1346 331.999,1347 462.13,1348 312,1349 158,1350 346.439,1351 168.514,1352 354.478,1353 518.51,1354 334,1355 6} {0 CHEMBL105958,1 1.511,2 10.64,3 2.266,4 5.134,5 96.742,6 7.292,7 0.571,8 3.935,9 4.068,10 3.495,11 3.467,12 4.999,13 3.449,14 4.483,15 4.672,16 3.846,17 3.88,18 5.496,19 3.835,20 4.743,21 4.965,22 3.865,23 4.021,24 5.701,25 3.932,26 4.818,27 5.074,28 3.765,29 3.972,30 5.776,31 3.857,32 4.722,33 4.993,34 3.693,35 3.839,36 5.688,37 3.737,38 4.53,39 4.773,40 3.607,41 3.753,42 5.491,43 3.669,44 4.462,45 4.693,46 3.552,47 3.707,48 5.463,49 3.611,50 4.452,51 4.713,52 3.365,53 3.6,54 5.385,55 3.488,56 0.025,57 0.73,58 9.659,59 3.848,60 7.042,61 5.392,62 0.201,63 1.176,64 18.348,65 6.473,66 19.598,67 9.365,68 0.198,69 1.399,70 24.949,71 8.975,72 29.758,73 12.97,74 0.285,75 1.393,76 28.412,77 9.622,78 45.814,79 14.21,80 0.362,81 1.258,82 26.483,83 8.385,84 47.422,85 12.519,86 0.271,87 1.118,88 20.839,89 6.567,90 26.85,91 9.745,92 0.196,93 1.033,94 19.047,95 6.77,96 27.616,97 9.877,98 0.257,99 0.959,100 19.947,101 6.391,102 31.327,103 9.372,104 5,105 39,106 0.258,107 0.644,108 0.799,109 0.821,110 0.821,111 0.821,112 3.267,113 0.92,114 -2.96,115 -2.97,116 -2.86,119 41.3,121 2,122 1,124 1,125 2,140 4,141 2,143 2,144 1,145 1,149 1,150 1,156 1,169 6,172 7,174 2,176 4,178 4,182 6,184 1,186 5,189 1,192 1,193 5,197 3,199 3,202 1,203 3,206 1,207 1,208 1,211 6,214 1,215 1,218 1,220 2,222 5,225 1,226 3,229 1,231 1,233 3,237 4,240 1,242 2,244 4,249 1,256 4,259 884,260 17.154,261 17.154,262 17.154,263 17.154,264 17.154,265 15.206,266 18.887,267 10.164,268 17.484,269 13.836,270 13.836,271 13.836,272 13.836,273 13.836,274 10.874,275 24.753,276 4.861,277 14.336,278 4.012,279 1.754,280 0.842,281 0.712,282 0.712,283 0.712,284 3.967,287 1,288 1,289 1,290 585,291 2.739,294 55.522,295 220.238,298 99.052,302 1.654,303 19.48,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 53.5,315 266,316 4.587,317 3.572,318 6.719,319 4.15,320 3.173,321 4.52,322 1.058,323 10.946,324 3.099,325 4.16,326 3.295,327 6.05,328 3.816,329 2.818,330 3.683,331 0.8,332 8.694,333 2.809,334 3.795,335 2.783,336 5.771,337 3.556,338 2.588,339 3.172,341 7.864,342 2.506,343 3.57,344 2.539,345 5.248,346 3.239,347 2.298,348 2.846,350 6.621,351 2.159,352 3.302,353 2.262,354 5.033,355 3.051,356 2.106,357 2.466,359 5.999,360 1.981,361 3.203,362 2.152,363 4.548,364 2.681,365 1.711,366 2.39,368 4.366,369 1.651,370 2.85,371 1.522,372 4.2,373 2.471,374 1.502,375 1.956,377 3.94,378 1.452,379 2.591,380 1.323,381 3.956,382 2.113,383 1.168,384 1.604,386 3.039,387 1.101,388 2.517,389 1.18,390 3.452,391 1.997,392 1.018,393 1.5,395 2.467,396 0.988,397 2.5,398 1.077,399 3.414,400 1.984,401 1,402 1.472,404 2.275,405 0.983,406 2.04,407 1,408 3.247,409 1.984,410 1,411 1,413 2.136,414 0.983,415 2,416 0.749,417 3.233,418 1.578,419 0.616,420 0.856,422 1.506,423 0.59,424 1.216,425 0.417,426 2.722,427 0.874,428 -0.094,429 -0.109,431 -0.223,432 -0.09,433 0.843,434 -0.024,435 2.485,436 0.662,437 -0.302,438 -0.35,440 -0.742,441 -0.289,442 0.748,443 -0.421,444 2.236,445 0.263,446 -0.742,447 -1,449 -1.607,450 -0.728,451 11.833,452 0.473,453 0.554,454 0.022,455 33,456 1.32,457 16,458 0.64,459 17,460 0.68,461 19.227,462 0.769,463 26.567,464 0.578,465 22.604,466 0.904,467 6.373,468 0.255,469 5.83,470 0.233,471 0.07,473 0.33,479 0.823,480 1.423,481 0.797,482 1.094,483 0.568,484 0.96,485 0.872,486 1.089,487 0.908,488 0.951,489 0.549,490 0.926,491 0.915,492 1.126,493 1.009,494 1.117,495 0.792,496 1.081,497 0.948,498 1.051,499 0.968,500 1.047,501 0.973,502 1.018,503 1.012,504 0.882,505 0.879,506 0.851,507 1.093,508 0.851,509 1.135,510 0.883,511 1.054,512 0.895,513 0.941,514 0.94,515 0.777,516 1.102,517 0.985,518 1.128,519 0.769,520 1.09,521 1.261,522 0.837,523 1.067,524 0.897,525 1.35,526 0.948,527 4.5,528 0.05,529 2.889,530 1.444,531 1.192,532 0.671,533 0.415,534 0.404,535 0.26,536 0.115,537 7559,538 17949,539 2.154,540 45.7,541 1,542 11,543 1,544 2,545 2,547 4,550 1.679,551 2.055,552 3.399,553 0.273,554 1,555 1,559 69.525,560 1.511,561 3.77,562 4.681,563 4.811,564 4.811,565 4.811,566 2.903,567 4.164,568 4.614,569 3.512,570 1053.57,571 7.977,572 12699.1,574 1,576 1,577 254.084,578 1.26,579 4.592,580 0.161,581 0.004,582 0.074,583 0.038,584 0.036,585 0.022,586 0.014,587 0.015,588 0.012,589 0.006,590 0.381,591 0.5,592 1,593 0.477,594 120.666,595 -0.049,596 -0.213,597 0.059,598 -0.049,599 -0.002,600 0.009,601 0.021,602 0.046,603 0.008,604 0.041,605 0.089,606 0.029,607 -0.043,608 -0.103,609 -0.067,610 -0.114,611 0.037,612 -0.096,613 0.021,614 -0.111,615 0.017,616 -0.061,617 0.073,618 -0.028,619 0.082,620 0.053,621 0.136,622 0.104,623 0.059,624 0.122,625 -0.106,626 0.158,627 -0.076,628 0.05,629 -0.085,630 0.005,631 0.104,632 -0.097,633 -0.033,634 -0.132,635 0.067,636 -0.105,637 -0.139,638 0.117,639 -0.064,640 0.063,641 -0.145,642 0.02,643 1.842,644 5.319,645 0.84,646 21.952,647 0.998,648 1.131,649 1.734,650 3.006,651 0.665,652 3.367,653 3.689,654 3.97,655 4.234,656 4.466,657 4.522,658 4.673,659 4.812,660 4.875,661 4.92,662 6.143,663 0.631,664 335.45,665 3.367,666 4.905,667 5.759,668 6.635,669 7.506,670 8.388,671 9.268,672 10.154,673 11.039,674 11.929,675 10.9,678 1,682 1,683 1,685 2,687 2,688 7,689 2,690 1,693 3,695 16,702 1,714 46,716 17,718 28,720 49,721 19,722 12,725 1,730 4,731 5,740 2,741 1,743 2,745 13,746 6,747 1,750 1,755 1,759 1,760 1,761 1,764 21,765 5,766 2,767 6,773 5,777 0.75,778 1,786 2,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 25,833 4,834 1,837 1,838 1,847 2.2,850 1,854 12.167,855 8.433,856 5.444,857 2.8,858 2.991,859 1.401,860 1.013,861 4.41,862 10.458,863 3.638,864 4.23,865 4.831,866 5.427,867 5.936,868 6.215,869 6.64,870 7.025,871 7.176,872 7.485,873 1,874 38,875 9.248,877 3.955,878 7.633,879 17.941,881 15.032,883 2.133,884 53.333,888 223.651,889 100.416,890 71.492,892 25.145,895 100.416,896 248.796,897 71.492,898 8.396,899 27.291,900 46.952,901 86.963,902 46.52,903 16.243,904 188.338,906 223.651,907 171.908,908 25.145,911 176.567,912 72.229,915 67.44,916 70.897,917 33.571,919 223.651,920 96.637,921 100.416,924 223.651,925 26.972,926 76.568,927 34.796,928 58.716,929 223.651,930 96.637,931 100.416,933 0.581,934 0.339,935 0.182,936 0.101,937 20,938 8,939 0.061,940 3,941 1,942 1.095,943 3.792,944 209.872,945 0.095,946 21,947 108.096,951 16.099,952 6.849,953 3.377,954 1.97,955 79.851,956 12.468,957 8.637,958 3.312,961 2.396,963 34.796,964 420.704,965 37,970 12.319,974 -0.175,975 45.905,976 52.023,977 0.274,978 0.683,979 0.847,980 0.871,981 0.871,982 0.871,983 4.868,984 1.168,985 5.733,986 3.94,987 4.369,988 4.916,989 1.435,990 6.532,991 4.306,992 6.059,993 1.018,994 7.281,995 3.039,996 3.892,997 4.663,998 0.325,999 7.402,1000 3.818,1001 7.356,1002 1,1003 8.93,1004 2.467,1005 5.948,1006 7.115,1007 1.379,1008 10.509,1009 5.834,1010 8.691,1011 1,1012 10.639,1013 2.275,1014 6.312,1015 7.76,1016 0.268,1017 12.246,1018 6.199,1019 10.061,1020 0.616,1021 12.388,1022 2.136,1023 7.816,1024 9.661,1025 1.406,1026 14.863,1027 7.666,1028 11.457,1029 -0.094,1030 14.166,1031 1.506,1032 8.574,1033 10.744,1034 0.188,1035 16.965,1036 8.425,1037 12.875,1038 -0.302,1039 15.964,1040 -0.223,1041 9.85,1042 12.414,1043 1.462,1044 19.421,1045 9.669,1046 3.173,1047 -0.742,1048 17.779,1049 -0.742,1050 10.802,1051 13.715,1052 0.125,1053 21.681,1054 10.615,1055 2.818,1056 10.946,1057 19.607,1058 -1.607,1059 11.984,1060 15.285,1061 1.533,1062 24.085,1063 11.77,1064 2.588,1065 8.694,1066 21.446,1067 4.52,1068 13.03,1069 16.692,1070 0.082,1071 26.416,1072 12.804,1073 2.298,1074 7.864,1075 23.293,1076 3.683,1077 14.177,1078 18.221,1079 1.613,1080 28.805,1081 13.926,1082 2.106,1083 6.621,1084 25.148,1085 3.172,1086 15.269,1087 19.679,1088 0.054,1089 31.168,1090 15.001,1091 1.711,1092 5.999,1093 27.009,1094 2.846,1095 16.406,1096 21.191,1097 1.698,1098 33.554,1099 16.114,1100 1.502,1101 4.366,1102 28.875,1103 2.466,1104 17.522,1105 22.674,1106 0.035,1107 35.932,1108 17.208,1109 7104,1110 11106,1111 19.186,1112 30.574,1113 42.513,1114 43.025,1115 42.886,1116 42.01,1117 41.997,1118 54.931,1119 3.717,1120 119.706,1121 40.604,1122 5.587,1123 5.572,1124 6.521,1125 5.21,1126 5.173,1127 7.52,1128 2.117,1129 18.077,1130 5.062,1131 9.062,1132 1.518,1133 1.537,1134 1.532,1135 1.5,1136 1.5,1137 1.962,1138 0.133,1139 4.275,1140 1.45,1141 4.133,1142 4.174,1143 4.095,1144 4.018,1145 7.429,1146 4.032,1147 3.885,1148 3.921,1149 3.835,1150 3.775,1151 5.041,1152 3.784,1153 3.804,1154 3.872,1155 3.684,1156 3.651,1157 4.881,1158 3.65,1159 3.472,1160 3.535,1161 3.402,1162 3.285,1163 4.423,1164 3.301,1165 3.243,1166 3.325,1167 3.131,1168 3.007,1169 4.32,1170 3.028,1171 3.118,1172 3.206,1173 2.98,1174 2.941,1175 3.914,1176 2.91,1177 3.111,1178 3.173,1179 2.866,1180 2.888,1181 3.79,1182 2.902,1183 2.854,1184 2.925,1185 2.701,1186 2.735,1187 3.711,1188 2.715,1189 0.164,1190 0.128,1191 0.24,1192 0.148,1193 0.113,1194 4.587,1195 0.161,1196 3.572,1197 0.038,1198 6.719,1199 0.391,1200 4.15,1201 0.111,1202 3.173,1203 4.52,1204 1.058,1205 10.946,1206 3.099,1207 1.923,1208 1.887,1209 2.068,1210 2.059,1211 1.436,1212 2.061,1213 1.846,1214 1.809,1215 1.96,1216 2.004,1217 1.032,1218 1.998,1219 1.792,1220 1.744,1221 1.904,1222 1.94,1223 0.959,1224 1.933,1225 1.453,1226 1.385,1227 1.659,1228 1.684,1229 0.825,1230 1.677,1231 1.223,1232 1.159,1233 1.513,1234 1.507,1235 0.807,1236 1.499,1237 1.153,1238 1.064,1239 1.492,1240 1.376,1241 0.558,1242 1.429,1243 1.107,1244 1.026,1245 1.296,1246 1.373,1247 0.361,1248 1.367,1249 0.888,1250 0.837,1251 1.181,1252 1.102,1253 0.242,1254 1.12,1255 4.043,1257 5.361,1258 2.398,1259 6.876,1260 4.727,1261 8.476,1262 6.843,1263 10.119,1265 2.163,1271 4.489,1272 2.877,1275 0.517,1276 2.36,1280 29.036,1281 69.525,1282 173.413,1283 215.329,1284 221.329,1285 221.329,1286 221.329,1287 35.006,1288 7.467,1289 73.91,1290 73.91,1291 23,1292 12.459,1293 4.17,1294 3.322,1295 35.955,1296 92,1297 91,1298 0.192,1299 178,1300 297.79,1301 426.08,1302 17846,1304 17.225,1305 0.689,1306 0.568,1307 17.225,1308 14.197,1309 12.204,1310 0.436,1311 0.307,1312 8.468,1313 11.756,1314 8.274,1315 6.854,1316 12.204,1317 8.585,1318 10.975,1319 0.281,1320 0.169,1321 10.975,1322 6.604,1323 9.403,1324 0.181,1325 0.094,1326 9.403,1327 4.894,1328 7.797,1329 0.115,1330 0.05,1331 7.797,1332 3.412,1333 6.397,1334 0.074,1335 0.028,1336 6.397,1337 2.447,1338 0.301,1339 76.266,1340 0.228,1341 24.306,1342 0.528,1343 134,1344 355.337,1345 145.234,1346 349.107,1347 483.49,1348 328,1349 158,1350 360.552,1351 169.846,1352 367.823,1353 536.63,1354 346,1355 6.377} {0 CHEMBL105970,1 1.467,2 13.161,3 3.371,4 11.363,5 126.142,6 6.619,7 0.353,8 4.241,9 4.381,10 3.716,11 3.702,12 5.216,13 3.673,14 4.827,15 5.046,16 4.056,17 4.102,18 5.729,19 4.051,20 5.068,21 5.293,22 4.15,23 4.32,24 5.937,25 4.229,26 5.209,27 5.455,28 4.093,29 4.365,30 6.075,31 4.236,32 5.247,33 5.517,34 4.031,35 4.326,36 6.094,37 4.186,38 5.146,39 5.415,40 3.925,41 4.239,42 5.946,43 4.087,44 5.078,45 5.372,46 3.848,47 4.096,48 5.911,49 3.948,50 4.922,51 5.198,52 3.795,53 3.912,54 5.876,55 3.825,56 0.046,57 0.962,58 15.34,59 5.488,60 9.223,61 8.265,62 0.433,63 1.533,64 29.15,65 8.448,66 28.556,67 13.455,68 0.427,69 1.879,70 36.745,71 12.007,72 28.695,73 18.288,74 0.382,75 1.982,76 42.416,77 14.436,78 44.779,79 21.61,80 0.622,81 1.94,82 44.862,83 14.288,84 58.973,85 21.698,86 0.478,87 1.785,88 40.115,89 13.334,90 40.695,91 20.291,92 0.5,93 1.611,94 37.812,95 11.604,96 47.112,97 18.362,98 0.438,99 1.356,100 33.041,101 8.658,102 50.528,103 13.857,104 18,105 47,106 0.236,107 0.491,108 0.661,109 0.772,110 0.83,111 0.83,112 3.472,113 0.973,114 -3.51,115 -3.48,116 -3.33,119 37.5,120 1,124 2,125 8,140 7,141 1,142 4,157 1,169 6,171 1,172 4,174 2,176 2,178 6,181 3,182 6,186 1,189 5,193 6,195 1,199 1,202 1,203 5,206 2,214 3,215 4,225 2,226 6,229 1,231 2,237 4,242 3,248 3,249 1,254 1,256 4,259 1624,260 21.093,261 21.093,262 21.093,263 21.093,264 21.093,265 19.484,266 33.181,267 12.367,268 21.751,269 16.691,270 16.691,271 16.691,272 16.691,273 16.691,274 14.192,275 50.022,276 5.767,277 17.631,278 4.533,279 2.952,280 1.897,281 1.208,282 0.848,283 0.848,284 4.168,288 1,289 1,290 883,291 3.082,295 444.116,302 2.037,303 20.663,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 66.5,315 408,316 4.354,317 3.692,318 6.521,319 4.009,320 3.06,321 3.963,322 1.701,323 10.27,324 2.901,325 4.273,326 3.301,327 6.451,328 3.96,329 3.005,330 3.839,331 0.86,332 9.941,333 2.874,334 3.971,335 3.216,336 6.044,337 3.722,338 2.772,339 3.178,340 0.8,341 8.662,342 2.621,343 3.593,344 2.78,345 5.354,346 3.399,347 2.466,348 2.8,349 0.8,350 6.89,351 2.301,352 3.434,353 2.516,354 5.215,355 3.188,356 2.243,357 2.53,358 0.8,359 6.425,360 2.11,361 3.279,362 2.405,363 5.062,364 3.002,365 2.046,366 2.422,367 0.563,368 5.792,369 1.949,370 3.101,371 2.379,372 4.923,373 2.87,374 1.96,375 2.18,376 0.075,377 5.602,378 1.779,379 2.862,380 2.091,381 4.144,382 2.414,383 1.414,384 2.015,386 3.593,387 1.414,388 2.717,389 1.5,390 3.978,391 2.363,392 1.375,393 1.736,395 3.088,396 1.348,397 2.468,398 1.335,399 3.838,400 2.109,401 1.137,402 1.46,404 3.022,405 1.103,406 2.329,407 1.204,408 3.579,409 1.995,410 1.026,411 1.262,413 2.651,414 0.988,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.794,434 1.095,435 3.017,436 1.512,437 0.626,438 0.703,440 1.105,441 0.547,442 1.144,443 0.537,444 2.754,445 0.899,446 -0.063,447 -0.071,449 -0.133,450 -0.06,451 14.667,452 0.473,453 0.712,454 0.023,455 36.75,456 1.185,457 15.5,458 0.5,459 21.25,460 0.685,461 29.155,462 0.94,463 35.133,464 0.549,465 28.469,466 0.918,467 7.473,468 0.241,469 7.573,470 0.244,471 0.125,473 0.314,479 0.872,480 1.708,481 0.892,482 1.324,483 0.606,484 1.136,485 1.212,486 1.024,487 0.979,488 0.829,489 0.609,490 0.85,491 1.039,492 1.072,493 1.09,494 1.068,495 0.851,496 1.072,497 1.05,498 1.175,499 1.079,500 1.188,501 1.274,502 1.149,503 1.156,504 0.922,505 1.027,506 0.95,507 1.414,508 0.974,509 0.882,510 1.094,511 1.014,512 1.104,513 0.858,514 1.087,515 0.715,516 0.996,517 0.848,518 0.961,519 0.8,520 0.92,521 1.699,522 0.939,523 0.97,524 0.802,525 2.02,526 0.789,527 6,528 0.136,529 4,530 2.063,531 1.64,532 1,533 0.765,534 0.62,535 0.287,536 0.168,537 13958,538 29769,539 2.084,540 51.6,541 3,542 29,545 1,550 1.734,551 1.958,552 3.652,553 -0.361,555 1,559 93.886,560 1.467,561 3.048,562 4.103,563 4.792,564 5.152,565 5.152,566 3.112,567 4.632,568 4.926,569 3.84,570 1785.7,571 8.588,572 26143.1,574 1,577 384,578 1.383,579 4.888,580 0.176,581 0.005,582 0.085,583 0.041,584 0.036,585 0.024,586 0.021,587 0.018,588 0.009,589 0.006,590 0.422,591 0.5,592 1,593 0.701,594 163.08,595 0.01,596 -0.397,597 0.085,598 -0.166,599 0.005,600 -0.053,601 -0.022,602 0.159,603 0.048,604 0.157,605 0.081,606 0.12,607 -0.042,608 0.063,609 -0.097,610 -0.045,611 -0.023,612 -0.07,613 -0.057,614 -0.156,615 -0.1,616 -0.162,617 -0.063,618 -0.141,619 -0.021,620 0.037,621 -0.028,622 0.021,623 -0.089,624 -0.002,625 0.065,626 -0.125,627 -0.038,628 -0.109,629 -0.009,630 -0.094,631 0.204,632 -0.062,633 0.134,634 -0.019,635 0.17,636 0.043,637 -0.158,638 0.007,639 0.086,640 0.091,641 -0.005,642 0.121,643 1.709,644 5.907,645 0.774,646 34.142,647 0.993,648 1.136,649 2.277,650 5.186,651 0.634,652 3.555,653 3.871,654 4.143,655 4.369,656 4.605,657 4.625,658 4.754,659 4.836,660 4.828,661 4.89,662 7.652,663 0.592,664 423.62,665 3.555,666 5.094,667 5.943,668 6.812,669 7.676,670 8.548,671 9.416,672 10.29,673 11.16,674 12.034,675 7.8,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 1,714 64,716 13,717 2,718 34,720 67,721 24,722 12,723 5,724 7,730 4,731 4,735 1,736 1,745 13,746 11,750 1,755 1,759 1,764 33,765 7,766 1,767 7,773 5,777 1,778 2,793 4,815 1,819 4,823 3,827 31,833 8,834 1,835 1,838 4,847 3.1,850 1,852 1,854 15.833,855 12.217,856 6.889,857 3.844,858 2.13,859 1.275,860 0.973,861 7.128,862 9.866,863 3.738,864 4.248,865 4.736,866 5.2,867 5.66,868 5.728,869 5.976,870 6.17,871 6.243,872 6.427,873 0.889,874 50,875 11.51,877 4.773,878 7.532,879 22.624,881 18.527,883 2.032,884 63,888 376.675,889 132.259,890 30.508,892 36.145,895 132.259,896 412.82,897 30.508,898 28.105,899 37.981,900 66.334,901 25.145,902 37.072,903 4.276,904 376.675,906 376.675,907 162.767,908 36.145,911 376.675,912 36.145,915 49.93,916 112.837,919 376.675,920 66.653,921 132.259,924 376.675,925 37.821,926 106.936,927 18.011,928 36.145,929 376.675,930 66.653,931 132.259,933 0.58,934 0.345,935 0.183,936 0.101,937 22,938 10,939 0.06,940 4,942 1,943 4.26,944 275.085,946 24,947 143.58,951 22.09,952 10.003,953 5.209,955 66.653,956 14.32,961 5.22,963 18.011,964 575.587,965 41,970 12.907,974 -0.043,975 63.534,976 72.723,977 0.244,978 0.508,979 0.684,980 0.799,981 0.859,982 0.859,983 4.99,984 1.414,985 5.922,986 5.602,987 4.554,988 4.934,989 2.379,990 6.718,991 4.451,992 6.152,993 1.375,994 7.475,995 3.593,996 4.111,997 4.649,998 1.577,999 7.6,1000 3.938,1001 7.435,1002 1.137,1003 9.127,1004 3.088,1005 6.138,1006 6.979,1007 2.694,1008 10.678,1009 5.928,1010 8.749,1011 1.026,1012 10.837,1013 3.022,1014 6.509,1015 7.505,1016 2.548,1017 12.385,1018 6.229,1019 10.096,1020 1,1021 12.584,1022 2.651,1023 7.994,1024 9.336,1025 3.441,1026 14.972,1027 7.681,1028 11.465,1029 1,1030 14.358,1031 2.275,1032 8.742,1033 10.247,1034 3.624,1035 17.02,1036 8.365,1037 12.852,1038 0.626,1039 16.15,1040 2.275,1041 10.002,1042 11.862,1043 4.372,1044 19.433,1045 9.588,1046 3.06,1047 -0.063,1048 17.956,1049 1.105,1050 10.932,1051 12.971,1052 4.72,1053 21.628,1054 10.46,1055 3.005,1056 10.27,1057 19.773,1058 -0.133,1059 12.095,1060 14.476,1061 5.376,1062 23.975,1063 11.583,1064 2.772,1065 9.941,1066 21.598,1067 3.963,1068 13.113,1069 15.694,1070 5.809,1071 26.235,1072 12.546,1073 2.466,1074 8.662,1075 23.431,1076 3.839,1077 14.236,1078 17.14,1079 6.41,1080 28.558,1081 13.627,1082 2.243,1083 6.89,1084 25.269,1085 3.178,1086 15.297,1087 18.418,1088 6.887,1089 30.847,1090 14.635,1091 2.046,1092 6.425,1093 27.111,1094 2.8,1095 16.405,1096 19.831,1097 7.458,1098 33.162,1099 15.698,1100 1.96,1101 5.792,1102 28.957,1103 2.53,1104 17.486,1105 21.145,1106 7.96,1107 35.463,1108 16.728,1109 13236,1110 19470,1111 22.77,1112 40.597,1113 50.584,1114 51.511,1115 52.498,1116 50.272,1117 50.261,1118 60.177,1119 11.2,1120 143.18,1121 47.731,1122 5.354,1123 5.692,1124 6.206,1125 5.076,1126 5.06,1127 6.963,1128 2.972,1129 16.994,1130 4.901,1131 14.985,1132 1.488,1133 1.515,1134 1.544,1135 1.479,1136 1.478,1137 1.77,1138 0.329,1139 4.211,1140 1.404,1141 4.011,1142 4.056,1143 3.949,1144 3.898,1145 7.429,1146 3.903,1147 3.941,1148 3.982,1149 3.88,1150 3.848,1151 4.865,1152 3.852,1153 3.768,1154 3.833,1155 3.67,1156 3.568,1157 4.753,1158 3.582,1159 3.715,1160 3.774,1161 3.605,1162 3.544,1163 4.424,1164 3.55,1165 3.359,1166 3.411,1167 3.274,1168 3.076,1169 4.35,1170 3.119,1171 3.211,1172 3.303,1173 3.031,1174 3.022,1175 4.262,1176 2.999,1177 3.173,1178 3.257,1179 3.008,1180 2.941,1181 3.899,1182 2.94,1183 3.162,1184 3.242,1185 2.961,1186 2.941,1187 3.886,1188 2.918,1189 0.128,1190 0.109,1191 0.192,1192 0.118,1193 0.09,1194 4.354,1195 0.117,1196 3.692,1197 0.05,1198 6.521,1199 0.302,1200 4.009,1201 0.085,1202 3.06,1203 3.963,1204 1.701,1205 10.27,1206 2.901,1207 1.939,1208 1.905,1209 2.065,1210 2.083,1211 1.307,1212 2.077,1213 1.915,1214 1.885,1215 2.033,1216 2.055,1217 1.301,1218 2.054,1219 1.721,1220 1.652,1221 1.917,1222 1.928,1223 1.093,1224 1.928,1225 1.684,1226 1.619,1227 1.884,1228 1.869,1229 1.048,1230 1.878,1231 1.244,1232 1.186,1233 1.573,1234 1.563,1235 0.825,1236 1.554,1237 1.208,1238 1.128,1239 1.552,1240 1.475,1241 0.825,1242 1.497,1243 1.174,1244 1.074,1245 1.54,1246 1.418,1247 0.641,1248 1.469,1249 1.153,1250 1.064,1251 1.513,1252 1.399,1253 0.604,1254 1.429,1255 4.234,1257 5.549,1259 7.067,1261 8.671,1263 10.317,1265 5.973,1271 7.038,1272 3.093,1273 5.581,1276 8.91,1280 37.912,1281 93.886,1282 195.091,1283 262.574,1284 306.716,1285 329.735,1286 329.735,1287 48.032,1288 7.736,1289 51.29,1290 51.29,1291 24,1292 12.575,1293 3.807,1294 3,1295 49.635,1296 144,1297 130,1298 0.167,1299 232.885,1300 406.62,1301 560,1302 26222,1304 21.794,1305 0.703,1306 0.607,1307 21.794,1308 18.804,1309 15.046,1310 0.443,1311 0.324,1312 10.835,1313 14.353,1314 10.491,1315 8.704,1316 15.046,1317 11.03,1318 13.345,1319 0.284,1320 0.178,1321 13.345,1322 8.368,1323 11.457,1324 0.185,1325 0.102,1326 11.457,1327 6.297,1328 9.277,1329 0.119,1330 0.056,1331 9.277,1332 4.333,1333 7.601,1334 0.077,1335 0.031,1336 7.601,1337 3.108,1338 0.268,1339 94.799,1340 0.21,1341 29.476,1342 0.443,1343 162,1344 422.384,1345 178.305,1346 404.246,1347 558.09,1348 382,1349 190,1350 411.647,1351 207.972,1352 418.383,1353 610.14,1354 391,1355 7.319} {0 CHEMBL106807,1 1.541,2 13.935,3 4.192,4 17.575,5 127.245,6 7.146,7 0.353,8 4.21,9 4.34,10 3.751,11 3.711,12 5.182,13 3.676,14 4.804,15 5.012,16 4.112,17 4.112,18 5.709,19 4.058,20 5.065,21 5.282,22 4.227,23 4.324,24 5.992,25 4.225,26 5.163,27 5.4,28 4.123,29 4.362,30 6.009,31 4.211,32 5.203,33 5.469,34 4.085,35 4.286,36 6.061,37 4.129,38 5.05,39 5.313,40 3.926,41 4.114,42 5.906,43 3.972,44 4.827,45 5.077,46 3.833,47 3.977,48 5.737,49 3.85,50 4.753,51 4.986,52 3.844,53 3.907,54 5.777,55 3.793,56 0.02,57 0.907,58 13.995,59 5.627,60 6.832,61 7.966,62 0.327,63 1.476,64 28.421,65 8.736,66 22.746,67 13.032,68 0.609,69 1.787,70 39.031,71 12.54,72 45.096,73 18.011,74 0.361,75 1.832,76 43.716,77 15.475,78 40.326,79 21.704,80 0.586,81 1.758,82 49.752,83 15.499,84 62.196,85 21.859,86 0.565,87 1.509,88 42.857,89 12.477,90 49.948,91 17.811,92 0.431,93 1.27,94 32.521,95 10.374,96 37.355,97 14.648,98 0.319,99 1.176,100 31.562,101 9.797,102 47.582,103 13.757,104 17,105 47,106 0.25,107 0.494,108 0.66,109 0.775,110 0.83,111 0.83,112 3.471,113 1,114 -4.07,115 -4.02,116 -3.8,119 38.7,120 1,124 1,125 9,140 7,141 1,142 4,156 1,169 6,171 1,172 5,178 7,181 4,182 6,189 7,192 1,193 2,199 1,202 1,203 8,214 1,215 7,225 3,226 4,237 9,249 5,259 1629,260 20.93,261 20.93,262 20.93,263 20.93,264 20.93,265 19.269,266 29.656,267 12.294,268 21.581,269 16.737,270 16.737,271 16.737,272 16.737,273 16.737,274 14.222,275 41.175,276 5.82,277 17.822,278 4.413,279 2.905,280 1.882,281 1.17,282 0.831,283 0.831,284 4.167,285 1,288 1,289 1,290 938,291 3.082,295 451.728,302 2.135,303 23.974,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 66.333,315 432,316 4.329,317 3.742,318 6.473,319 3.967,320 3.033,321 3.941,322 2.055,323 10.048,324 2.879,325 4.273,326 3.352,327 6.451,328 3.958,329 3.007,330 3.839,331 0.933,332 9.941,333 2.8,334 3.946,335 3.218,336 6.017,337 3.714,338 2.754,339 3.117,340 0.8,341 8.536,342 2.636,343 3.636,344 2.829,345 5.344,346 3.403,347 2.477,348 2.885,349 0.8,350 6.919,351 2.289,352 3.416,353 2.711,354 5.136,355 3.158,356 2.247,357 2.506,358 0.8,359 6.227,360 2.046,361 3.304,362 2.483,363 5.074,364 3.049,365 2.088,366 2.438,367 0.51,368 5.835,369 1.988,370 3.066,371 2.412,372 4.85,373 2.765,374 1.89,375 2.156,377 5.309,378 1.599,379 2.863,380 2.107,381 4.221,382 2.455,383 1.48,384 2.016,386 3.857,387 1.427,388 2.752,389 1.5,390 3.925,391 2.414,392 1.414,393 1.779,395 3.091,396 1.414,397 2.468,398 1.495,399 3.865,400 2.104,401 1.13,402 1.459,404 3.012,405 1.097,406 2.358,407 1.242,408 3.581,409 2.038,410 1.075,411 1.317,413 2.72,414 1.029,415 2,416 1.204,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.832,434 1.146,435 3.1,436 1.461,437 0.557,438 0.659,440 1.281,441 0.479,442 1.247,443 0.691,444 2.703,445 0.938,446 0.045,447 0.05,449 0.1,450 0.035,451 14.981,452 0.483,453 0.75,454 0.024,455 36,456 1.161,457 15,458 0.484,459 21,460 0.677,461 30.06,462 0.97,463 34.819,464 0.562,465 26.859,466 0.866,467 7.231,468 0.233,469 7.777,470 0.251,471 0.137,473 0.307,479 0.768,480 1.659,481 0.716,482 1.214,483 0.561,484 1.081,485 1.184,486 1.082,487 0.818,488 0.816,489 0.625,490 0.843,491 1.039,492 0.955,493 0.99,494 0.973,495 0.911,496 1.026,497 0.915,498 1.156,499 1.011,500 1.179,501 1.16,502 1.168,503 1.054,504 0.965,505 1.017,506 1.015,507 1.167,508 0.977,509 1.33,510 0.928,511 1.093,512 0.956,513 1.166,514 0.944,515 1.086,516 0.906,517 0.976,518 0.941,519 1.138,520 0.945,521 0.962,522 1.193,523 1.039,524 1.24,525 1.3,526 1.091,527 6,528 0.124,529 4.222,530 1.938,531 1.52,532 1.021,533 0.684,534 0.439,535 0.337,536 0.209,537 14738,538 34093,539 2.084,540 50,541 3,542 28,550 1.731,551 1.958,552 3.736,553 -0.767,555 1,559 95.541,560 1.541,561 3.049,562 4.072,563 4.784,564 5.123,565 5.123,566 3.228,567 4.503,568 4.927,569 3.924,570 1824.46,571 8.575,572 27319.3,574 1,577 369.16,578 1.383,579 4.888,580 0.176,581 0.005,582 0.09,583 0.04,584 0.036,585 0.026,586 0.02,587 0.014,588 0.011,589 0.008,590 0.426,591 0.5,592 1,593 0.541,594 164.524,595 0.012,596 -0.38,597 0.056,598 -0.148,599 -0.001,600 -0.051,601 -0.105,602 0.104,603 0.035,604 0.124,605 0.028,606 0.1,607 0.044,608 0.15,609 -0.066,610 0.002,611 0.038,612 -0.06,613 -0.015,614 -0.168,615 -0.077,616 -0.16,617 -0.085,618 -0.158,619 0.043,620 -0.062,621 0.03,622 -0.024,623 -0.011,624 0.011,625 -0.063,626 -0.007,627 -0.027,628 0.009,629 -0.063,630 0.017,631 0.05,632 0.064,633 0.02,634 0.038,635 0.024,636 0.03,637 0.151,638 -0.229,639 0.035,640 -0.22,641 0.205,642 -0.091,643 1.638,644 5.712,645 0.774,646 34.86,647 0.996,648 1.132,649 2.838,650 8.055,651 0.652,652 3.555,653 3.871,654 4.127,655 4.331,656 4.564,657 4.554,658 4.663,659 4.718,660 4.71,661 4.762,662 8.061,663 0.608,664 443.04,665 3.555,666 5.094,667 5.938,668 6.801,669 7.659,670 8.524,671 9.386,672 10.252,673 11.116,674 11.983,675 6.5,678 1,681 2,682 1,688 7,693 5,695 12,709 2,712 1,713 1,714 62,716 13,717 2,718 34,720 65,721 24,722 12,723 5,724 7,730 4,731 4,732 1,736 1,745 13,746 11,750 1,755 1,759 1,761 1,764 31,765 6,767 7,768 1,773 4,777 1,778 2,793 4,806 1,815 1,819 4,823 2,824 1,827 31,833 9,835 1,838 4,846 1,847 3.2,850 1,852 1,854 15.833,855 11.61,856 6.806,857 3.797,858 2.112,859 1.274,860 0.972,861 7.384,862 9.83,863 3.738,864 4.248,865 4.718,866 5.149,867 5.611,868 5.62,869 5.821,870 6.026,871 6.142,872 6.272,873 1,874 49,875 11.525,877 4.817,878 7.568,879 22.594,881 18.62,883 2.068,884 64.111,887 1,888 364.904,889 127.141,890 12.497,891 39.149,892 36.145,895 127.141,896 440.198,897 12.497,898 17.222,899 24.562,900 66.334,901 29.85,902 37.816,904 364.904,905 39.149,906 364.904,907 139.638,908 36.145,909 39.149,911 364.904,912 36.145,915 36.512,916 103.126,917 39.149,919 364.904,920 48.642,921 166.29,924 364.904,925 43.586,926 96.053,928 75.293,929 364.904,930 48.642,931 166.29,933 0.584,934 0.342,935 0.175,936 0.098,937 22,938 10,939 0.077,940 5,942 1,943 4.326,944 270.212,946 24,947 143.58,951 22.403,952 10.217,953 5.527,955 48.642,956 14.05,961 4.903,964 579.836,965 41,970 12.712,974 0.028,975 61.756,976 70.169,977 0.259,978 0.512,979 0.684,980 0.804,981 0.86,982 0.86,983 4.99,984 1.48,985 5.916,986 5.309,987 4.554,988 4.934,989 2.581,990 6.701,991 4.432,992 6.152,993 1.414,994 7.465,995 3.857,996 4.111,997 4.649,998 1.865,999 7.564,1000 3.891,1001 7.433,1002 1.13,1003 9.112,1004 3.091,1005 6.129,1006 6.971,1007 3.36,1008 10.632,1009 5.888,1010 8.743,1011 1.075,1012 10.817,1013 3.012,1014 6.494,1015 7.493,1016 3.319,1017 12.324,1018 6.16,1019 10.087,1020 1,1021 12.559,1022 2.72,1023 7.976,1024 9.321,1025 4.565,1026 14.901,1027 7.618,1028 11.452,1029 1,1030 14.328,1031 2.275,1032 8.715,1033 10.224,1034 4.857,1035 16.935,1036 8.275,1037 12.835,1038 0.557,1039 16.116,1040 2.275,1041 9.972,1042 11.838,1043 5.902,1044 19.337,1045 9.499,1046 3.033,1047 0.045,1048 17.918,1049 1.281,1050 10.894,1051 12.939,1052 6.371,1053 21.518,1054 10.346,1055 3.007,1056 10.048,1057 19.731,1058 0.1,1059 12.054,1060 14.445,1061 7.287,1062 23.854,1063 11.465,1064 2.754,1065 9.941,1066 21.552,1067 3.941,1068 13.064,1069 15.654,1070 7.856,1071 26.099,1072 12.407,1073 2.477,1074 8.536,1075 23.381,1076 3.839,1077 14.184,1078 17.1,1079 8.696,1080 28.41,1081 13.479,1082 2.247,1083 6.919,1084 25.215,1085 3.117,1086 15.237,1087 18.372,1088 9.324,1089 30.684,1090 14.467,1091 2.088,1092 6.227,1093 27.053,1094 2.885,1095 16.341,1096 19.783,1097 10.117,1098 32.985,1099 15.519,1100 1.89,1101 5.835,1102 28.896,1103 2.506,1104 17.416,1105 21.092,1106 10.781,1107 35.273,1108 16.532,1109 13901,1110 21306,1111 22.77,1112 40.449,1113 50.8,1114 52.109,1115 52.314,1116 50.489,1117 50.394,1118 60.325,1119 11.797,1120 142.853,1121 47.296,1122 5.329,1123 5.742,1124 6.157,1125 5.045,1126 5.033,1127 6.941,1128 3.661,1129 16.694,1130 4.879,1131 15.022,1132 1.494,1133 1.533,1134 1.539,1135 1.485,1136 1.482,1137 1.774,1138 0.347,1139 4.202,1140 1.391,1141 4.001,1142 4.044,1143 4.036,1144 3.897,1145 7.427,1146 3.899,1147 3.941,1148 3.982,1149 3.902,1150 3.854,1151 4.963,1152 3.854,1153 3.77,1154 3.823,1155 3.68,1156 3.578,1157 4.754,1158 3.593,1159 3.726,1160 3.783,1161 3.648,1162 3.555,1163 4.575,1164 3.56,1165 3.42,1166 3.457,1167 3.412,1168 3.193,1169 4.371,1170 3.218,1171 3.19,1172 3.291,1173 3.224,1174 3.023,1175 4.265,1176 2.999,1177 3.17,1178 3.257,1179 3.018,1180 2.945,1181 3.997,1182 2.947,1183 3.111,1184 3.206,1185 2.964,1186 2.941,1187 3.896,1188 2.91,1189 0.127,1190 0.11,1191 0.19,1192 0.117,1193 0.089,1194 4.329,1195 0.116,1196 3.742,1197 0.06,1198 6.473,1199 0.296,1200 3.967,1201 0.085,1202 3.033,1203 3.941,1204 2.055,1205 10.048,1206 2.879,1207 1.938,1208 1.904,1209 2.065,1210 2.073,1211 1.307,1212 2.071,1213 1.907,1214 1.88,1215 2.022,1216 2.051,1217 1.303,1218 2.05,1219 1.721,1220 1.66,1221 1.915,1222 1.919,1223 1.095,1224 1.921,1225 1.693,1226 1.628,1227 1.876,1228 1.868,1229 1.032,1230 1.878,1231 1.333,1232 1.295,1233 1.557,1234 1.591,1235 0.825,1236 1.578,1237 1.208,1238 1.128,1239 1.551,1240 1.451,1241 0.825,1242 1.481,1243 1.17,1244 1.068,1245 1.526,1246 1.418,1247 0.725,1248 1.469,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.637,1254 1.429,1255 4.234,1257 5.549,1259 7.062,1261 8.659,1263 10.296,1265 4.258,1266 6.435,1271 7.036,1273 5.859,1276 8.831,1280 37.718,1281 95.541,1282 189.063,1283 252.489,1284 296.631,1285 317.65,1286 317.65,1287 51.824,1288 7.719,1289 39.26,1290 39.26,1291 24,1292 12.529,1293 3.807,1294 3,1295 49.786,1296 153,1297 137,1298 0.157,1299 234.424,1300 410.83,1301 563.754,1302 27027,1303 1.6,1304 21.794,1305 0.703,1306 0.618,1307 22.294,1308 19.145,1309 15.008,1310 0.441,1311 0.333,1312 10.813,1313 14.111,1314 10.469,1315 8.623,1316 15.297,1317 11.331,1318 13.495,1319 0.287,1320 0.186,1321 13.866,1322 8.754,1323 11.467,1324 0.188,1325 0.107,1326 11.826,1327 6.532,1328 9.003,1329 0.12,1330 0.059,1331 9.29,1332 4.46,1333 7.496,1334 0.079,1335 0.034,1336 7.807,1337 3.192,1338 0.255,1339 97.131,1340 0.21,1341 29.742,1342 0.407,1343 162,1344 434.255,1345 192.269,1346 444.395,1347 598.51,1348 418,1349 189,1350 413.165,1351 217.784,1352 427.293,1353 624.82,1354 401,1355 6.62} {0 CHEMBL107511,1 1.273,2 6.143,3 2.493,4 6.215,5 60.015,6 6.277,7 0.667,8 3.466,9 3.618,10 2.884,11 3.022,12 4.456,13 2.96,14 3.984,15 4.19,16 3.179,17 3.413,18 4.854,19 3.312,20 4.195,21 4.447,22 3.161,23 3.495,24 5.003,25 3.355,26 4.183,27 4.435,28 3.004,29 3.431,30 4.985,31 3.264,32 4.13,33 4.423,34 2.766,35 3.24,36 4.89,37 3.041,38 3.915,39 4.206,40 2.43,41 2.993,42 4.678,43 2.782,44 3.753,45 4.086,46 1.888,47 2.675,48 4.417,49 2.394,50 3.455,51 3.85,52 1.212,53 2.159,54 4.034,55 1.811,56 0.046,57 0.434,58 7.225,59 2.771,60 6.559,61 4.118,62 0.07,63 0.676,64 12.093,65 4.802,66 9.15,67 7.081,68 0.087,69 0.773,70 14.852,71 5.866,72 13.61,73 8.683,74 0.091,75 0.755,76 14.71,77 5.651,78 14.106,79 8.444,80 0.118,81 0.671,82 13.922,83 5.153,84 15.57,85 7.761,86 0.091,87 0.539,88 11.278,89 3.832,90 12.658,91 5.974,92 0.074,93 0.416,94 9.445,95 3.246,96 10.512,97 5.054,98 0.06,99 0.269,100 6.885,101 2.261,102 10.107,103 3.585,104 10,105 20,106 0.246,107 0.626,108 0.81,109 0.867,110 0.867,111 0.867,112 2.734,113 1.028,114 -3.38,115 -3.36,116 -3.21,119 40,120 1,121 2,125 1,140 3,141 3,149 1,150 1,161 1,162 1,163 1,169 8,176 4,178 9,180 1,186 4,189 9,191 1,197 2,199 6,201 1,207 1,208 2,210 1,211 3,213 1,220 3,222 1,224 2,231 2,235 2,242 1,246 1,259 176,260 9.74,261 9.74,262 9.74,263 9.74,264 9.74,265 8.611,266 7.026,267 5.855,268 9.813,269 7.308,270 7.308,271 7.308,272 7.308,273 7.308,274 5.519,275 2.941,276 2.605,277 7.426,278 3.634,279 1.668,280 0.717,281 0.425,282 0.425,283 0.425,284 3.379,288 1,289 1,290 176,291 2.236,294 26.267,295 30.592,298 47.964,302 0.898,303 6.318,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 29,315 86,316 4.55,317 3.171,318 6.546,319 4.079,320 3.091,321 4.504,323 10.358,324 3.053,325 3.701,326 2.597,327 5.291,328 3.354,329 2.357,330 3.121,332 6.727,333 2.351,334 3.343,335 2.132,336 5.09,337 2.946,338 1.965,339 2.672,341 5.896,342 1.925,343 2.743,344 1.393,345 4.154,346 2.305,347 1.324,348 1.847,350 3.494,351 1.297,352 2.334,353 1.177,354 3.331,355 2.031,356 1.077,357 1.296,359 2.104,360 1.025,361 1.998,362 0.832,363 3.042,364 1.689,365 0.714,366 0.893,368 1.366,369 0.695,370 1.57,371 0.475,372 2.773,373 1.359,374 0.379,375 0.442,377 0.589,378 0.371,379 0.857,380 -0.137,381 2.213,382 0.593,383 -0.368,384 -0.424,386 -0.623,387 -0.353,388 0.662,389 -0.671,390 2,391 0.232,392 -0.756,393 -0.958,395 -1.577,396 -0.745,397 0.396,398 -0.901,399 1.832,400 0.047,401 -0.935,402 -1.314,404 -2.672,405 -0.919,406 -0.085,407 -1.232,408 1.487,409 -0.47,410 -1.436,411 -1.649,413 -3.622,414 -1.381,415 -0.301,416 -1.441,417 0.859,418 -0.608,419 -1.604,420 -2.053,422 -4.286,423 -1.596,424 -0.5,425 -1.731,426 0.697,427 -0.882,428 -1.877,429 -2.53,431 -5.073,432 -1.84,433 -0.554,434 -1.903,435 0.451,436 -0.975,437 -1.93,438 -2.845,440 -6.026,441 -1.883,442 -0.714,443 -2,444 0.234,445 -1,446 -2,447 -3,449 -6.654,450 -2,451 6.8,452 0.486,453 0.239,454 0.017,455 16.25,456 1.161,457 8,458 0.571,459 8.25,460 0.589,461 9.922,462 0.709,463 15.4,464 0.513,465 8.692,466 0.621,467 3.097,468 0.221,469 3.75,470 0.268,471 0.132,473 0.294,479 1.327,480 1.113,481 1.022,482 0.993,483 1.372,484 0.985,485 0.943,486 1.066,487 0.961,488 1.015,489 0.888,490 0.994,491 0.796,492 1.004,493 0.925,494 0.993,495 0.775,496 0.973,497 0.966,498 1.183,499 1.141,500 1.202,501 0.837,502 1.188,503 0.791,504 1.04,505 1.01,506 1.076,507 0.849,508 1.063,509 1.378,510 1.147,511 1.238,512 1.162,513 1.17,514 1.185,515 1.109,516 1.035,517 1.11,518 1.074,519 1.054,520 1.089,521 0.94,522 0.618,523 0.734,524 0.63,525 1.269,526 0.66,527 2.5,529 1.556,530 0.854,531 0.653,532 0.368,533 0.157,534 0.059,537 1204,538 2402,539 2.034,540 53.3,541 5,542 5,543 1,545 3,547 2,550 1.512,551 1.909,552 2.665,553 1.244,557 1,559 38.187,560 1.273,561 3.239,562 4.19,563 4.482,564 4.482,565 4.482,566 2.156,567 3.664,568 3.774,569 2.697,570 245.393,571 6.308,572 1879.74,574 1,577 147.207,578 1.379,579 3.74,580 0.167,582 0.078,583 0.045,584 0.044,585 0.033,586 0.022,587 0.02,590 0.409,591 1,592 1,593 1.346,594 52.198,595 -0.151,596 0.129,597 0.013,598 0.107,599 -0.212,600 0.078,601 -0.045,602 0.039,603 0.029,604 0.052,605 -0.053,606 0.047,607 0.001,608 0.002,609 0.04,610 0.031,611 0.01,612 0.037,613 -0.09,614 -0.177,615 -0.177,616 -0.197,617 -0.096,618 -0.194,619 0.148,620 -0.106,621 -0.053,622 -0.126,623 0.082,624 -0.108,625 -0.197,626 -0.185,627 -0.265,628 -0.243,629 -0.094,630 -0.257,631 -0.094,632 -0.176,633 -0.165,634 -0.187,635 -0.045,636 -0.182,637 0.048,638 0.119,639 0.195,640 0.193,641 0.07,642 0.203,643 0.788,644 1.567,645 0.643,646 7.449,647 0.98,648 1.13,649 2.147,650 4.608,651 0.645,652 2.773,653 3.045,654 3.332,655 3.584,656 3.738,657 3.738,658 3.689,659 3.555,660 3.091,661 2.639,662 3.697,663 0.591,664 188.3,665 2.773,666 4.263,667 5.106,668 5.974,669 6.845,670 7.724,671 8.602,672 9.484,673 10.366,674 11.249,675 6.7,676 1,683 1,687 2,688 4,690 1,693 2,695 10,714 30,716 10,717 1,718 15,720 31,721 12,722 8,723 3,724 3,730 2,731 3,736 2,743 2,745 8,746 4,761 1,764 16,765 1,766 3,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 14,828 1,833 3,854 7.333,855 5.417,856 3.306,857 1.965,858 2.097,859 1.366,860 1.001,861 2.661,862 7.821,863 3.045,864 3.67,865 4.339,866 4.978,867 5.469,868 5.764,869 6.063,870 6.307,871 5.823,872 5.453,873 1,874 19,875 5.161,876 0.002,877 2.087,878 7.476,879 10.216,880 0.001,881 8.293,882 -0.001,883 1.976,884 27.667,885 0.011,888 153.024,889 64.564,890 49.683,895 64.564,896 153.024,897 49.683,898 8.825,899 40.072,900 37.476,902 25.73,903 13.915,904 141.253,906 153.024,907 114.247,911 129.482,912 23.542,915 65.683,916 48.564,919 153.024,920 49.683,921 64.564,924 153.024,925 18.263,926 46.301,927 16.786,928 32.897,929 153.024,930 49.683,931 64.564,933 0.555,934 0.34,935 0.194,936 0.108,937 10,938 4,939 0.097,940 3,941 1,942 1.222,943 2.626,944 87.279,945 0.222,946 9,947 53.303,951 9.439,952 3.947,953 1.747,954 2.542,955 32.897,956 8.646,958 3.269,961 2.716,963 49.683,964 267.271,965 20,975 29.389,976 33.903,977 0.259,978 0.66,979 0.854,980 0.913,981 0.913,982 0.913,983 4.227,984 -0.368,985 5.069,986 0.589,987 3.714,988 4.35,990 5.872,991 3.684,992 5.433,993 -0.756,994 6.619,995 -0.623,996 3.219,997 4.227,999 6.783,1000 3.195,1001 6.747,1002 -0.935,1003 8.273,1004 -1.577,1005 5.283,1006 6.672,1008 9.876,1009 5.234,1010 8.111,1011 -1.436,1012 9.988,1013 -2.672,1014 5.673,1015 7.453,1017 11.645,1018 5.623,1019 9.511,1020 -1.604,1021 11.744,1022 -3.622,1023 7.166,1024 9.333,1026 14.242,1027 7.097,1028 10.938,1029 -1.877,1030 13.528,1031 -4.286,1032 7.962,1033 10.517,1035 16.356,1036 7.885,1037 12.384,1038 -1.93,1039 15.331,1040 -5.073,1041 9.228,1042 12.175,1044 18.788,1045 9.137,1046 3.091,1047 -2,1048 17.15,1049 -6.026,1050 10.21,1051 13.542,1053 21.039,1054 10.106,1055 2.357,1056 10.358,1057 18.981,1058 -6.654,1059 11.387,1060 15.109,1062 23.412,1063 11.27,1064 1.965,1065 6.727,1066 20.822,1067 4.504,1068 12.451,1069 16.555,1071 25.716,1072 12.321,1073 1.324,1074 5.896,1075 22.67,1076 3.121,1077 13.595,1078 18.085,1080 28.067,1081 13.453,1082 1.077,1083 3.494,1084 24.524,1085 2.672,1086 14.694,1087 19.565,1089 30.392,1090 14.539,1091 0.714,1092 2.104,1093 26.383,1094 1.847,1095 15.827,1096 21.08,1098 32.734,1099 15.659,1100 0.379,1101 1.366,1102 28.246,1103 1.296,1104 16.942,1105 22.574,1107 35.067,1108 16.761,1109 1287,1110 1862,1111 9.94,1112 19.341,1113 21.811,1114 21.911,1115 23.122,1116 21.806,1117 21.813,1118 29.547,1120 61.069,1121 21.435,1122 5.264,1123 5.171,1124 6.312,1125 5.079,1126 5.091,1127 7.504,1129 17.013,1130 5.053,1131 6.102,1132 1.454,1133 1.461,1134 1.541,1135 1.454,1136 1.454,1137 1.97,1139 4.071,1140 1.429,1141 4.135,1142 4.168,1143 4.091,1144 4.058,1145 5.028,1146 4.062,1147 3.621,1148 3.685,1149 3.495,1150 3.506,1151 4.931,1152 3.496,1153 3.452,1154 3.547,1155 3.272,1156 3.252,1157 4.322,1158 3.243,1159 3.161,1160 3.249,1161 2.962,1162 2.977,1163 3.908,1164 2.964,1165 2.917,1166 3.002,1167 2.766,1168 2.752,1169 3.75,1170 2.745,1171 2.64,1172 2.772,1173 2.369,1174 2.334,1175 3.422,1176 2.325,1177 2.444,1178 2.554,1179 2.22,1180 2.239,1181 3.076,1182 2.224,1183 2.158,1184 2.296,1185 1.798,1186 1.872,1187 2.743,1188 1.828,1189 0.303,1190 0.211,1191 0.436,1192 0.272,1193 0.206,1194 4.55,1195 0.3,1196 3.171,1198 6.546,1199 0.691,1200 4.079,1201 0.204,1202 3.091,1203 4.504,1205 10.358,1206 3.053,1207 1.969,1208 1.946,1209 2.072,1210 2.043,1211 1.279,1212 2.054,1213 1.655,1214 1.597,1215 1.867,1216 1.846,1217 1.092,1218 1.856,1219 1.464,1220 1.389,1221 1.738,1222 1.681,1223 0.868,1224 1.705,1225 1.254,1226 1.163,1227 1.513,1228 1.522,1229 0.553,1230 1.534,1231 0.917,1232 0.843,1233 1.193,1234 1.157,1235 0.286,1236 1.18,1237 0.741,1238 0.662,1239 1.08,1240 0.964,1241 0.142,1242 1.009,1243 0.527,1244 0.379,1245 0.996,1246 0.869,1247 0.054,1248 0.922,1249 0.255,1250 0.103,1251 0.773,1252 0.604,1254 0.674,1255 3.434,1257 4.71,1258 2.398,1259 6.201,1260 4.727,1261 7.793,1262 6.823,1263 9.44,1265 2.177,1269 5.567,1271 2.75,1280 17.73,1281 38.187,1282 97.168,1283 125.697,1284 134.452,1285 134.452,1286 134.452,1287 14.429,1288 5.724,1289 41.81,1290 41.81,1291 11,1292 11.783,1293 3.459,1294 2.585,1295 21.245,1296 30,1297 33,1298 0.374,1299 112.971,1300 181.08,1301 267.409,1302 1646,1304 9.966,1305 0.712,1306 0.608,1307 9.966,1308 8.508,1309 6.847,1310 0.456,1311 0.343,1312 5.106,1313 6.733,1314 4.948,1315 4.16,1316 6.847,1317 5.138,1318 5.637,1319 0.282,1320 0.179,1321 5.637,1322 3.586,1323 4.907,1324 0.182,1325 0.098,1326 4.907,1327 2.654,1328 4.037,1329 0.115,1330 0.052,1331 4.037,1332 1.808,1333 3.129,1334 0.076,1335 0.029,1336 3.129,1337 1.194,1338 0.546,1339 41.889,1340 0.317,1341 13.964,1342 1.134,1343 70,1344 141.645,1345 72.415,1346 145.936,1347 208.36,1348 138,1349 82,1350 159.394,1351 84.498,1352 165.369,1353 241.63,1354 157,1355 8.432} {0 CHEMBL107772,1 1.562,2 13.1,3 4.699,4 22.081,5 122.534,6 7.271,7 0.364,8 4.166,9 4.294,10 3.723,11 3.667,12 5.154,13 3.637,14 4.755,15 4.961,16 4.097,17 4.074,18 5.713,19 4.021,20 5.015,21 5.232,22 4.201,23 4.283,24 5.903,25 4.188,26 5.129,27 5.362,28 4.122,29 4.299,30 6.033,31 4.166,32 5.113,33 5.364,34 4.072,35 4.23,36 6.03,37 4.09,38 4.97,39 5.218,40 3.923,41 4.109,42 5.841,43 3.963,44 4.856,45 5.119,46 3.9,47 3.932,48 5.802,49 3.816,50 4.686,51 4.917,52 3.792,53 3.784,54 5.741,55 3.709,56 0.011,57 0.869,58 13.054,59 5.296,60 6.772,61 7.438,62 0.443,63 1.416,64 26.779,65 8.264,66 31.148,67 12.335,68 0.39,69 1.713,70 36.621,71 12.048,72 28.188,73 17.156,74 0.43,75 1.734,76 42.824,77 14.446,78 49.445,79 19.998,80 0.655,81 1.633,82 45.885,83 13.966,84 64.763,85 19.454,86 0.427,87 1.458,88 38.887,89 12.335,90 40.863,91 17.377,92 0.452,93 1.28,94 33.631,95 10.155,96 48.205,97 14.662,98 0.351,99 1.071,100 29.725,101 8.016,102 46.136,103 11.105,104 17,105 46,106 0.256,107 0.496,108 0.645,109 0.767,110 0.826,111 0.826,112 3.44,113 0.99,114 -4.27,115 -4.2,116 -3.97,119 39,120 1,124 1,125 8,140 7,141 1,142 4,157 1,169 6,171 3,172 5,178 7,181 2,182 6,189 7,192 1,193 6,199 1,202 2,203 6,214 2,215 5,225 1,226 10,237 7,248 3,249 2,256 4,259 1476,260 20.223,261 20.223,262 20.223,263 20.223,264 20.223,265 18.562,266 28.767,267 11.846,268 20.89,269 16.254,270 16.254,271 16.254,272 16.254,273 16.254,274 13.765,275 40.334,276 5.614,277 17.368,278 4.321,279 2.85,280 1.944,281 1.195,282 0.839,283 0.839,284 4.136,285 1,288 1,289 1,290 854,291 2.915,295 426.69,302 2.04,303 23.432,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64.333,315 393,316 4.336,317 3.79,318 6.474,319 3.976,320 3.043,321 3.946,322 2.208,323 10.055,324 2.877,325 4.272,326 3.345,327 6.451,328 3.953,329 3.003,330 3.839,331 0.8,332 9.941,333 2.804,334 3.969,335 3.219,336 6.044,337 3.703,338 2.771,339 3.173,340 0.8,341 8.659,342 2.565,343 3.593,344 2.805,345 5.336,346 3.385,347 2.457,348 2.794,349 0.8,350 6.875,351 2.274,352 3.408,353 2.611,354 5.144,355 3.154,356 2.231,357 2.504,358 0.655,359 6.238,360 2.047,361 3.276,362 2.446,363 5.058,364 2.997,365 2.046,366 2.419,367 0.13,368 5.791,369 1.933,370 3.064,371 2.412,372 4.85,373 2.756,374 1.881,375 2.155,377 5.308,378 1.591,379 2.862,380 2.096,381 4.133,382 2.414,383 1.414,384 2.015,386 3.569,387 1.414,388 2.715,389 1.5,390 3.923,391 2.343,392 1.366,393 1.734,395 3.062,396 1.315,397 2.468,398 1.27,399 3.838,400 2.104,401 1.13,402 1.459,404 3,405 1.097,406 2.327,407 1.204,408 3.579,409 1.983,410 1.02,411 1.257,413 2.648,414 0.971,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.471,434 0.96,435 2.863,436 1.066,437 0.205,438 0.242,440 0.471,441 0.154,442 1.131,443 0.447,444 2.681,445 0.879,446 -0.092,447 -0.104,449 -0.209,450 -0.089,451 14.481,452 0.483,453 0.75,454 0.025,455 35.5,456 1.183,457 15,458 0.5,459 20.5,460 0.683,461 28.482,462 0.949,463 33.519,464 0.568,465 26.48,466 0.883,467 7.089,468 0.236,469 7.419,470 0.247,471 0.141,473 0.318,479 0.769,480 1.665,481 0.699,482 1.204,483 0.556,484 1.066,485 0.926,486 1.034,487 0.781,488 0.787,489 0.469,490 0.829,491 1.016,492 1.023,493 0.952,494 1.022,495 0.716,496 1.032,497 1.167,498 1.102,499 1.01,500 1.1,501 1.304,502 1.095,503 1.179,504 0.91,505 1.083,506 0.979,507 1.478,508 0.972,509 0.973,510 1.069,511 1.095,512 1.14,513 0.982,514 1.089,515 0.933,516 1.005,517 0.733,518 0.933,519 0.896,520 0.881,521 1.818,522 0.992,523 1.186,524 0.952,525 2.187,526 0.901,527 6,528 0.128,529 4,530 2.063,531 1.6,532 0.938,533 0.744,534 0.53,535 0.287,536 0.168,537 12997,538 30530,539 2.087,540 49.2,541 3,542 26,550 1.724,551 1.957,552 3.653,553 -0.759,559 92.153,560 1.562,561 3.032,562 3.939,563 4.687,564 5.043,565 5.043,566 3.123,567 4.348,568 4.879,569 3.83,570 1665.95,571 8.487,572 23832.7,574 1,577 347.076,578 1.4,579 4.839,580 0.182,581 0.005,582 0.087,583 0.043,584 0.038,585 0.024,586 0.022,587 0.017,588 0.01,589 0.006,590 0.434,591 0.33,592 1,593 0.551,594 156.389,595 0.007,596 -0.394,597 0.055,598 -0.154,599 -0.001,600 -0.053,601 0.097,602 0.156,603 0.057,604 0.146,605 0.165,606 0.107,607 -0.046,608 0.074,609 -0.044,610 -0.043,611 0.003,612 -0.06,613 -0.065,614 -0.135,615 -0.059,616 -0.101,617 -0.08,618 -0.106,619 0.018,620 0.014,621 -0.012,622 0.013,623 -0.087,624 0.009,625 0.044,626 -0.123,627 -0.05,628 -0.134,629 -0.037,630 -0.093,631 0.175,632 -0.071,633 0.195,634 0.015,635 0.194,636 0.083,637 -0.218,638 -0.015,639 -0.045,640 -0.002,641 -0.098,642 0.027,643 1.967,644 5.725,645 0.8,646 32.347,647 0.998,648 1.131,649 3.036,650 9.22,651 0.656,652 3.526,653 3.85,654 4.111,655 4.331,656 4.564,657 4.564,658 4.7,659 4.762,660 4.762,661 4.844,662 7.566,663 0.613,664 429.01,665 3.526,666 5.069,667 5.916,668 6.786,669 7.646,670 8.517,671 9.383,672 10.255,673 11.122,674 11.994,675 6.8,678 1,681 2,682 1,688 7,693 5,695 12,709 2,710 1,713 1,714 59,716 13,717 2,718 33,720 62,721 23,722 12,723 5,724 7,730 4,731 4,732 1,736 1,745 13,746 10,750 1,755 1,759 1,761 1,764 29,765 6,767 7,768 1,773 4,777 1,778 2,793 4,815 1,819 4,823 2,824 1,827 30,833 8,835 1,838 4,846 1,847 3.4,850 1,852 1,854 15.333,855 11.11,856 6.556,857 3.63,858 2.134,859 1.278,860 0.976,861 6.834,862 9.816,863 3.714,864 4.234,865 4.71,866 5.166,867 5.626,868 5.661,869 5.911,870 6.097,871 6.179,872 6.379,873 0.889,874 48,875 11.144,877 4.676,878 7.587,879 21.778,881 17.966,883 2.087,884 62.611,887 1,888 341.362,889 124.607,890 12.497,891 39.149,892 36.145,895 124.607,896 416.655,897 12.497,898 17.222,899 19.97,900 66.334,901 25.145,902 37.816,903 6.763,904 341.362,905 39.149,906 341.362,907 137.104,908 36.145,909 39.149,911 341.362,912 36.145,915 31.919,916 105.184,917 39.149,919 341.362,920 48.642,921 163.755,924 341.362,925 41.051,926 96.053,928 75.293,929 341.362,930 48.642,931 163.755,933 0.585,934 0.343,935 0.178,936 0.099,937 22,938 10,939 0.065,940 4,942 1,943 4.198,944 262.597,946 24,947 137.207,951 21.44,952 9.562,953 5.11,955 48.642,956 13.828,961 4.65,964 553.759,965 40,970 12.725,974 -0.3,975 58.872,976 66.754,977 0.266,978 0.515,979 0.67,980 0.797,981 0.857,982 0.857,983 4.97,984 1.414,985 5.9,986 5.308,987 4.533,988 4.92,989 2.569,990 6.693,991 4.402,992 6.137,993 1.366,994 7.453,995 3.569,996 4.111,997 4.649,998 2.014,999 7.564,1000 3.865,1001 7.422,1002 1.13,1003 9.104,1004 3.062,1005 6.116,1006 6.966,1007 3.567,1008 10.64,1009 5.854,1010 8.735,1011 1.02,1012 10.813,1013 3,1014 6.494,1015 7.493,1016 3.679,1017 12.33,1018 6.12,1019 10.082,1020 1,1021 12.558,1022 2.648,1023 7.971,1024 9.321,1025 4.961,1026 14.915,1027 7.579,1028 11.449,1029 1,1030 14.329,1031 2.275,1032 8.719,1033 10.228,1034 5.373,1035 16.947,1036 8.23,1037 12.834,1038 0.205,1039 16.119,1040 2.275,1041 9.975,1042 11.843,1043 6.459,1044 19.354,1045 9.456,1046 3.043,1047 -0.092,1048 17.922,1049 0.471,1050 10.903,1051 12.947,1052 7.028,1053 21.533,1054 10.299,1055 3.003,1056 10.055,1057 19.737,1058 -0.209,1059 12.064,1060 14.453,1061 7.994,1062 23.871,1063 11.419,1064 2.771,1065 9.941,1066 21.559,1067 3.946,1068 13.079,1069 15.665,1070 8.654,1071 26.115,1072 12.359,1073 2.457,1074 8.659,1075 23.389,1076 3.839,1077 14.199,1078 17.11,1079 9.549,1080 28.427,1081 13.432,1082 2.231,1083 6.875,1084 25.223,1085 3.173,1086 15.256,1087 18.384,1088 10.263,1089 30.7,1090 14.42,1091 2.046,1092 6.238,1093 27.062,1094 2.794,1095 16.361,1096 19.795,1097 11.116,1098 33.002,1099 15.472,1100 1.881,1101 5.791,1102 28.905,1103 2.504,1104 17.439,1105 21.105,1106 11.862,1107 35.288,1108 16.485,1109 12275,1110 18991,1111 22.076,1112 38.688,1113 49.582,1114 50.648,1115 50.983,1116 49.234,1117 49.136,1118 59.075,1119 10.786,1120 140.337,1121 45.945,1122 5.336,1123 5.79,1124 6.159,1125 5.067,1126 5.043,1127 6.946,1128 3.912,1129 16.71,1130 4.877,1131 14.573,1132 1.502,1133 1.535,1134 1.545,1135 1.492,1136 1.489,1137 1.79,1138 0.327,1139 4.253,1140 1.392,1141 4.002,1142 4.044,1143 4.038,1144 3.897,1145 7.433,1146 3.899,1147 3.937,1148 3.978,1149 3.899,1150 3.852,1151 4.954,1152 3.852,1153 3.761,1154 3.816,1155 3.664,1156 3.561,1157 4.754,1158 3.575,1159 3.712,1160 3.77,1161 3.645,1162 3.546,1163 4.52,1164 3.551,1165 3.286,1166 3.322,1167 3.381,1168 3.028,1169 4.369,1170 3.051,1171 3.179,1172 3.262,1173 3.127,1174 2.994,1175 4.255,1176 2.996,1177 3.168,1178 3.253,1179 3.008,1180 2.941,1181 3.927,1182 2.933,1183 3.111,1184 3.206,1185 2.961,1186 2.941,1187 3.894,1188 2.91,1189 0.131,1190 0.115,1191 0.196,1192 0.12,1193 0.092,1194 4.336,1195 0.12,1196 3.79,1197 0.067,1198 6.474,1199 0.305,1200 3.976,1201 0.087,1202 3.043,1203 3.946,1204 2.208,1205 10.055,1206 2.877,1207 1.938,1208 1.904,1209 2.064,1210 2.073,1211 1.305,1212 2.07,1213 1.905,1214 1.879,1215 2.021,1216 2.048,1217 1.301,1218 2.048,1219 1.712,1220 1.647,1221 1.906,1222 1.912,1223 1.091,1224 1.912,1225 1.683,1226 1.618,1227 1.87,1228 1.855,1229 1.026,1230 1.868,1231 1.208,1232 1.13,1233 1.552,1234 1.473,1235 0.825,1236 1.491,1237 1.178,1238 1.098,1239 1.538,1240 1.418,1241 0.825,1242 1.469,1243 1.153,1244 1.064,1245 1.513,1246 1.399,1247 0.639,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.604,1254 1.429,1255 4.205,1257 5.525,1259 7.045,1261 8.648,1263 10.291,1265 4.241,1266 6.427,1271 6.693,1273 5.699,1276 8.65,1280 36.191,1281 92.153,1282 178.911,1283 232.405,1284 276.547,1285 297.566,1286 297.566,1287 47.994,1288 7.682,1289 39.26,1290 39.26,1291 24,1292 12.537,1293 3.807,1294 3,1295 47.297,1296 138,1297 128,1298 0.166,1299 224.831,1300 393.53,1301 540.349,1302 24883,1303 1.7,1304 21.087,1305 0.703,1306 0.615,1307 21.587,1308 18.438,1309 14.508,1310 0.44,1311 0.33,1312 10.381,1313 13.621,1314 10.056,1315 8.293,1316 14.797,1317 10.893,1318 13.154,1319 0.286,1320 0.183,1321 13.524,1322 8.439,1323 11.142,1324 0.186,1325 0.105,1326 11.501,1327 6.28,1328 8.939,1329 0.119,1330 0.057,1331 9.226,1332 4.296,1333 7.376,1334 0.078,1335 0.033,1336 7.686,1337 3.092,1338 0.267,1339 94.039,1340 0.213,1341 28.742,1342 0.439,1343 158,1344 430.255,1345 189.265,1346 441.346,1347 596.59,1348 414,1349 185,1350 418.983,1351 213.951,1352 432.022,1353 633.8,1354 405,1355 8.444} {0 CHEMBL108337,1 1.434,2 6.313,3 1.964,4 3.857,5 64.242,6 6.76,7 0.556,8 3.574,9 3.705,10 3.07,11 3.111,12 4.577,13 3.079,14 4.131,15 4.308,16 3.439,17 3.543,18 5.042,19 3.483,20 4.376,21 4.596,22 3.45,23 3.669,24 5.254,25 3.569,26 4.431,27 4.69,28 3.244,29 3.609,30 5.217,31 3.458,32 4.255,33 4.535,34 3.042,35 3.366,36 5.041,37 3.201,38 4.015,39 4.27,40 2.724,41 3.097,42 4.846,43 2.941,44 3.818,45 4.107,46 2.257,47 2.73,48 4.644,49 2.53,50 3.467,51 3.793,52 1.555,53 2.28,54 4.135,55 2.025,56 0.042,57 0.469,58 7.537,59 3.002,60 7.331,61 4.173,62 0.102,63 0.763,64 13.717,65 5.329,66 11.602,67 7.442,68 0.149,69 0.944,70 17.901,71 6.426,72 17.76,73 9.387,74 0.157,75 0.937,76 19.181,77 6.851,78 18.382,79 10.173,80 0.174,81 0.743,82 16.216,83 6.046,84 17.411,85 8.861,86 0.133,87 0.58,88 12.853,89 4.302,90 15.755,91 6.299,92 0.185,93 0.432,94 10.873,95 3.338,96 18.087,97 4.985,98 0.115,99 0.275,100 7.728,101 2.399,102 11.62,103 3.557,104 6,105 26,106 0.271,107 0.653,108 0.819,109 0.871,110 0.871,111 0.871,112 2.856,113 0.951,114 -2.69,115 -2.71,116 -2.63,119 40.6,121 3,124 1,127 1,140 3,141 2,142 1,150 2,161 1,162 1,163 1,169 5,172 2,176 6,178 6,180 2,182 2,186 6,189 7,191 2,193 1,197 1,199 5,201 1,203 1,206 1,207 1,208 1,210 1,211 4,213 1,215 1,220 1,222 1,224 1,226 1,228 1,229 1,231 1,235 1,259 222,260 10.972,261 10.972,262 10.972,263 10.972,264 10.972,265 9.842,266 11.352,267 6.323,268 11.223,269 8.836,270 8.836,271 8.836,272 8.836,273 8.836,274 6.982,275 10.17,276 2.954,277 9.159,278 3.566,279 1.546,280 0.672,281 0.399,282 0.399,283 0.399,284 3.532,288 1,289 1,290 219,291 2,294 19.815,295 56.572,298 80.611,302 0.977,303 9.895,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 34,315 101,316 4.648,317 3.359,318 6.77,319 4.208,320 3.225,321 4.597,322 0.86,323 11.161,324 3.17,325 3.843,326 2.82,327 5.661,328 3.505,329 2.536,330 3.287,332 7.559,333 2.458,334 3.474,335 2.435,336 5.205,337 3.188,338 2.239,339 2.771,341 6.418,342 2.118,343 3.128,344 2.132,345 4.957,346 2.856,347 1.89,348 2.366,350 5.66,351 1.818,352 3.112,353 1.888,354 4.827,355 2.721,356 1.744,357 2.17,359 5.176,360 1.702,361 2.298,362 1.154,363 3.796,364 2,365 1,366 1.241,368 2.652,369 1,370 1.88,371 1.098,372 3.19,373 1.586,374 0.671,375 0.789,377 1.422,378 0.607,379 1.516,380 0.526,381 2.797,382 1.235,383 0.332,384 0.384,386 0.574,387 0.298,388 0.874,389 -0.018,390 2.462,391 0.626,392 -0.321,393 -0.364,395 -0.707,396 -0.302,397 0.704,398 -0.475,399 2.302,400 0.316,401 -0.67,402 -0.807,404 -1.912,405 -0.657,406 0.42,407 -0.58,408 2.216,409 0.062,410 -0.88,411 -1.045,413 -2.297,414 -0.821,415 0.234,416 -0.944,417 2,419 -1,420 -1.347,422 -3.189,423 -1,424 -0.183,425 -1.094,426 1.549,427 -0.403,428 -1.356,429 -1.468,431 -3.465,432 -1.266,433 -0.303,434 -1.327,435 1.273,436 -0.698,437 -1.592,438 -1.938,440 -4.219,441 -1.444,442 -0.5,443 -1.776,444 1.093,445 -0.91,446 -1.891,447 -2.173,449 -5.442,450 -1.804,451 7.633,452 0.477,453 0.397,454 0.025,455 18.75,456 1.172,457 8.5,458 0.531,459 10.25,460 0.641,461 12.263,462 0.766,463 17.567,464 0.549,465 10.493,466 0.656,467 3.557,468 0.222,469 4.218,470 0.264,471 0.118,473 0.393,479 1.037,480 1.124,481 0.898,482 1.009,483 1.181,484 0.937,485 1.141,486 1.112,487 0.897,488 0.975,489 0.881,490 0.925,491 1.04,492 1.106,493 1.056,494 1.047,495 1.079,496 1.046,497 0.849,498 1.054,499 1.073,500 1.084,501 0.916,502 1.094,503 0.464,504 0.974,505 0.84,506 1.05,507 0.572,508 1.004,509 1.367,510 1.155,511 1.219,512 1.174,513 1.334,514 1.182,515 1.418,516 0.944,517 1.212,518 1.035,519 1.168,520 1.096,521 1.626,522 0.733,523 1.08,524 0.77,525 1.308,526 0.868,527 3.5,529 1.778,530 1.264,531 0.857,532 0.508,533 0.194,534 0.102,535 0.02,537 1862,538 4035,539 2.135,540 50,542 7,545 3,546 2,547 4,550 1.555,551 2,552 2.718,553 1.189,555 1,556 1,557 1,559 45.894,560 1.434,561 3.454,562 4.328,563 4.601,564 4.601,565 4.601,566 2.18,567 3.625,568 3.972,569 2.744,570 329.317,571 6.707,572 2729.86,574 1,576 1,577 160,578 1.406,579 3.933,580 0.194,582 0.068,583 0.051,584 0.045,585 0.034,586 0.019,587 0.02,588 0.01,590 0.442,591 1,592 1,593 0.875,594 62.564,595 -0.086,596 0.095,597 0.045,598 0.076,599 -0.148,600 0.084,601 -0.088,602 -0.023,603 0.062,604 0.08,605 0.009,606 0.084,607 -0.122,608 -0.043,609 -0.1,610 -0.052,611 -0.102,612 -0.069,613 -0.078,614 -0.065,615 -0.126,616 -0.114,617 -0.112,618 -0.12,619 0.271,620 -0.063,621 0.109,622 -0.077,623 0.213,624 -0.018,625 -0.159,626 -0.211,627 -0.231,628 -0.232,629 -0.196,630 -0.24,631 0.004,632 -0.07,633 -0.192,634 -0.149,635 0.051,636 -0.189,637 -0.209,638 0.026,639 -0.054,640 0.11,641 -0.089,642 0.047,643 1.03,644 2.025,645 0.813,646 8.234,647 0.991,648 1.129,649 1.459,650 2.128,651 0.65,652 2.944,653 3.296,654 3.611,655 3.932,656 4.22,657 4.29,658 4.407,659 4.489,660 4.248,661 4.111,662 3.829,663 0.608,664 216.31,665 2.944,666 4.489,667 5.361,668 6.263,669 7.162,670 8.071,671 8.979,672 9.891,673 10.802,674 11.715,675 6.3,676 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 32,716 10,717 1,718 18,720 34,721 13,722 8,723 3,724 3,730 3,731 6,740 4,743 4,745 8,746 5,761 1,764 16,765 2,766 3,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 2,812 1,819 1,823 1,827 16,828 1,833 3,835 1,837 1,847 3.1,852 1,854 8,855 5.833,856 3.5,857 1.91,858 2.122,859 1.326,860 1.022,861 2.319,862 8.637,863 3.178,864 3.834,865 4.496,866 5.166,867 5.731,868 6.083,869 6.477,870 6.819,871 6.65,872 6.633,873 1,874 25,875 5.914,877 2.53,878 7.51,879 11.684,881 10.041,883 2.01,884 32.167,885 0.006,888 153.024,889 62.818,890 49.683,892 11,895 62.818,896 164.024,897 49.683,898 10.883,899 40.501,900 28.429,902 38.787,903 4.901,904 153.024,906 153.024,907 112.501,908 11,911 105.94,912 58.084,915 57.286,916 55.215,919 153.024,920 60.683,921 62.818,924 153.024,925 23.506,926 39.312,927 16.786,928 43.897,929 153.024,930 60.683,931 62.818,933 0.585,934 0.35,935 0.195,936 0.119,937 15,938 6,939 0.029,940 1,941 2,942 1.308,943 2.831,944 116.001,945 0.308,946 13,947 64,951 10.027,952 3.7,953 1.609,954 2.462,955 43.897,956 6.172,958 3.477,961 3.644,963 49.683,964 276.525,965 23,975 31.716,976 36.112,977 0.287,978 0.691,979 0.866,980 0.92,981 0.92,982 0.92,983 4.425,984 0.332,985 5.361,986 1.422,987 3.97,988 4.516,989 0.908,990 6.209,991 3.91,992 5.645,993 -0.321,994 6.938,995 0.574,996 3.611,997 4.477,999 7.154,1000 3.526,1001 6.974,1002 -0.67,1003 8.612,1004 -0.707,1005 5.595,1006 6.823,1007 0.739,1008 10.28,1009 5.492,1010 8.343,1011 -0.88,1012 10.342,1013 -1.912,1014 6.043,1015 7.642,1017 12.079,1018 5.917,1019 9.748,1020 -1,1021 12.11,1022 -2.297,1023 7.518,1024 9.487,1025 0.593,1026 14.736,1027 7.383,1028 11.178,1029 -1.356,1030 13.905,1031 -3.189,1032 8.353,1033 10.703,1035 16.907,1036 8.199,1037 12.63,1038 -1.592,1039 15.721,1040 -3.465,1041 9.629,1042 12.353,1043 0.469,1044 19.403,1045 9.467,1046 3.225,1047 -1.891,1048 17.555,1049 -4.219,1050 10.649,1051 13.748,1053 21.725,1054 10.47,1055 2.536,1056 11.161,1057 19.403,1058 -5.442,1059 11.85,1060 15.32,1061 0.366,1062 24.166,1063 11.661,1064 2.239,1065 7.559,1066 21.263,1067 4.597,1068 12.953,1069 16.791,1071 26.544,1072 12.747,1073 1.89,1074 6.418,1075 23.133,1076 3.287,1077 14.128,1078 18.334,1079 0.283,1080 28.966,1081 13.911,1082 1.744,1083 5.66,1084 25.011,1085 2.771,1086 15.268,1087 19.837,1089 31.365,1090 15.034,1091 1,1092 5.176,1093 26.895,1094 2.366,1095 16.436,1096 21.368,1097 0.217,1098 33.781,1099 16.188,1100 0.671,1101 2.652,1102 28.785,1103 2.17,1104 17.592,1105 22.884,1107 36.188,1108 17.328,1109 1854,1110 2782,1111 12.137,1112 20.796,1113 27.351,1114 27.73,1115 28.369,1116 27.22,1117 27.272,1118 35.209,1119 1.72,1120 81.243,1121 26.343,1122 5.592,1123 5.359,1124 6.317,1125 5.208,1126 5.225,1127 7.597,1128 1.72,1129 18.17,1130 5.17,1131 6.561,1132 1.52,1133 1.541,1134 1.576,1135 1.512,1136 1.515,1137 1.956,1138 0.096,1139 4.514,1140 1.463,1141 4.161,1142 4.193,1143 4.12,1144 4.078,1145 5.039,1146 4.084,1147 3.708,1148 3.759,1149 3.6,1150 3.593,1151 4.942,1152 3.587,1153 3.389,1154 3.449,1155 3.275,1156 3.156,1157 4.607,1158 3.176,1159 3.146,1160 3.238,1161 2.937,1162 2.949,1163 4.079,1164 2.93,1165 3.067,1166 3.141,1167 2.898,1168 2.888,1169 3.764,1170 2.882,1171 2.875,1172 2.972,1173 2.676,1174 2.689,1175 3.648,1176 2.672,1177 2.638,1178 2.771,1179 2.371,1180 2.348,1181 3.329,1182 2.337,1183 2.368,1184 2.481,1185 2.139,1186 2.094,1187 3.013,1188 2.093,1189 0.258,1190 0.187,1191 0.376,1192 0.234,1193 0.179,1194 4.648,1195 0.255,1196 3.359,1197 0.048,1198 6.77,1199 0.62,1200 4.208,1201 0.176,1202 3.225,1203 4.597,1204 0.86,1205 11.161,1206 3.17,1207 1.946,1208 1.927,1209 2.055,1210 2.029,1211 1.386,1212 2.037,1213 1.827,1214 1.778,1215 1.976,1216 1.99,1217 1.129,1218 1.99,1219 1.282,1220 1.214,1221 1.581,1222 1.582,1223 0.72,1224 1.575,1225 1.187,1226 1.124,1227 1.468,1228 1.461,1229 0.588,1230 1.473,1231 1.1,1232 1.017,1233 1.403,1234 1.305,1235 0.574,1236 1.348,1237 0.86,1238 0.777,1239 1.13,1240 1.139,1241 0.191,1242 1.153,1243 0.721,1244 0.644,1245 1.062,1246 0.952,1247 0.145,1248 0.996,1249 0.479,1250 0.322,1251 0.923,1252 0.822,1254 0.864,1255 3.611,1257 4.949,1258 2.398,1259 6.494,1260 4.844,1261 8.133,1262 7.05,1263 9.823,1265 1.7,1269 6.025,1271 3.118,1273 5.264,1275 0.303,1280 19.445,1281 45.894,1282 110.516,1283 138.49,1284 147.245,1285 147.245,1286 147.245,1287 17.348,1288 6.515,1289 51.04,1290 51.04,1291 17,1292 12.229,1293 3.459,1294 2.585,1295 21.693,1296 37,1297 38,1298 0.314,1299 119.166,1300 194.81,1301 282.525,1302 4690,1304 11.121,1305 0.695,1306 0.589,1307 11.121,1308 9.416,1309 7.775,1310 0.432,1311 0.317,1312 5.638,1313 7.52,1314 5.481,1315 4.536,1316 7.775,1317 5.707,1318 7.089,1319 0.273,1320 0.173,1321 7.089,1322 4.496,1323 6.2,1324 0.172,1325 0.095,1326 6.2,1327 3.433,1328 5.24,1329 0.105,1330 0.051,1331 5.24,1332 2.55,1333 4.627,1334 0.069,1335 0.029,1336 4.627,1337 1.956,1338 0.459,1339 48.463,1340 0.287,1341 15.661,1342 0.966,1343 88,1344 205.381,1345 93.959,1346 200.55,1347 283.61,1348 190,1349 106,1350 215.433,1351 111.822,1352 221.092,1353 324.58,1354 208,1355 5.924} {0 CHEMBL1084132,1 1.275,2 8.5,3 2.48,4 6.153,5 75.882,6 5.986,7 0.3,8 3.786,9 3.941,10 3.19,11 3.281,12 4.604,13 3.221,14 4.406,15 4.635,16 3.493,17 3.703,18 5.138,19 3.604,20 4.705,21 4.988,22 3.405,23 3.841,24 5.322,25 3.664,26 4.707,27 5.024,28 3.269,29 3.746,30 5.26,31 3.545,32 4.588,33 4.898,34 3.208,35 3.648,36 5.175,37 3.462,38 4.497,39 4.806,40 3.002,41 3.562,42 5.051,43 3.348,44 4.36,45 4.69,46 2.768,47 3.373,48 4.881,49 3.138,50 4.071,51 4.389,52 2.627,53 3.154,54 4.673,55 2.946,56 0.059,57 0.619,58 10.549,59 3.703,60 5.764,61 5.835,62 0.196,63 1.02,64 19.442,65 5.983,66 12.05,67 9.821,68 0.227,69 1.196,70 25.062,71 8.395,72 15.181,73 13.301,74 0.189,75 1.111,76 24.5,77 8.18,78 14.025,79 13.066,80 0.214,81 1.007,82 21.987,83 7.109,84 13.999,85 11.415,86 0.153,87 0.902,88 19.809,89 6.864,90 11.446,91 10.774,92 0.121,93 0.742,94 16.888,95 6.088,96 10.14,97 9.411,98 0.089,99 0.575,100 12.689,101 4.666,102 9.182,103 7.152,105 26,106 0.231,107 0.504,108 0.706,109 0.852,110 0.864,111 0.864,112 2.96,113 1.076,114 -3.7,115 -3.67,116 -3.49,119 36.6,121 3,125 4,126 1,127 1,140 5,142 1,169 6,171 1,172 2,176 2,178 5,182 3,184 1,186 1,189 2,193 4,203 4,206 1,215 2,226 1,231 2,233 2,242 2,244 4,254 1,256 5,259 346,260 12.637,261 12.637,262 12.637,263 12.637,264 12.637,265 11.911,266 18.021,267 7.863,268 12.908,269 9.938,270 9.938,271 9.938,272 9.938,273 9.938,274 8.924,275 28.237,276 3.81,277 10.39,278 4.083,279 2.572,280 1.46,281 0.653,282 0.585,283 0.585,284 3.645,287 1,288 1,289 1,290 335,291 1.732,294 46.848,295 116.549,302 1.444,303 5.908,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 37.5,315 153,316 4.105,317 3.232,318 6.184,319 3.862,320 2.93,321 3.555,322 0.966,323 9.239,324 2.733,325 3.659,326 2.784,327 5.55,328 3.542,329 2.585,330 2.716,331 0.693,332 7.573,333 2.473,334 3.341,335 2.427,336 5.058,337 3.167,338 2.215,339 2.423,340 0.4,341 6.136,342 2.104,343 2.968,344 1.846,345 4.31,346 2.664,347 1.7,348 2.072,350 4.136,351 1.635,352 2.5,353 1.482,354 3.593,355 2.399,356 1.414,357 1.5,359 3.032,360 1.391,361 2.486,362 1.186,363 3.466,364 2.023,365 1.06,366 1.485,368 2.569,369 1.018,370 2.253,371 1.16,372 3.264,373 2,374 1,375 1.228,377 2.136,378 1,379 2,380 1,381 3.247,382 1.958,383 1,384 1,386 2.136,387 0.955,388 1.7,389 0.883,390 3.247,391 1.627,392 0.676,393 0.69,395 1.655,396 0.641,397 0.913,398 0.104,399 2.738,400 0.846,401 -0.106,402 -0.106,404 -0.278,405 -0.1,406 0.676,407 -0.521,408 2.24,409 0.297,410 -0.671,411 -0.805,413 -1.53,414 -0.647,415 0.5,416 -0.701,417 1.61,418 0.01,419 -0.935,420 -0.986,422 -2.234,423 -0.879,424 0.09,425 -0.899,426 1.555,428 -1,429 -1,431 -2.347,432 -0.973,434 -1,435 1.555,436 -0.027,437 -1,438 -1.5,440 -2.347,441 -1,442 -0.299,443 -1.178,444 1.276,445 -0.468,446 -1.414,447 -1.542,449 -3.834,450 -1.333,451 8.7,452 0.483,453 0.256,454 0.014,455 18.5,456 1.028,457 6.5,458 0.361,459 12,460 0.667,461 15.3,462 0.85,463 20.7,464 0.505,465 9.715,466 0.54,467 3.408,468 0.189,469 5.508,470 0.306,473 0.207,479 1.112,480 1.624,481 1.019,482 1.285,483 0.971,484 1.167,485 1.696,486 1.18,487 1.198,488 1.059,489 1.182,490 1.082,491 1.224,492 1.059,493 1.136,494 1.077,495 1.033,496 1.095,497 0.999,498 0.997,499 0.931,500 0.945,501 0.851,502 0.934,503 1.194,504 0.89,505 0.989,506 0.888,507 1.042,508 0.915,509 1.048,510 0.978,511 1.049,512 1.015,513 0.98,514 1.03,515 0.755,516 0.871,517 0.883,518 0.91,519 0.721,520 0.908,521 0.766,522 0.834,523 0.87,524 0.88,525 1.012,526 0.883,527 2.5,528 0.016,529 1.111,530 0.722,531 0.432,532 0.285,533 0.212,534 0.09,535 0.009,536 0.023,537 3169,538 5286,539 2.189,540 56.1,541 2,542 14,543 2,545 1,547 4,550 1.581,551 2.16,552 3.114,553 -0.334,555 1,557 1,559 52.259,560 1.275,561 2.785,562 3.897,563 4.705,564 4.772,565 4.772,566 2.53,567 3.614,568 4.142,569 3.211,570 491.278,571 7.003,572 4678.27,573 1,574 1,576 1,577 219.66,578 0.764,579 4.146,580 0.125,581 0.004,582 0.043,583 0.033,584 0.023,585 0.016,586 0.015,587 0.008,588 0.001,589 0.003,590 0.27,591 1,592 1,594 77.183,595 0.081,596 -0.29,597 0.09,598 -0.09,599 0.127,600 -0.014,601 -0.121,602 0.031,603 -0.105,604 -0.036,605 -0.056,606 -0.064,607 -0.074,608 -0.03,609 -0.133,610 -0.099,611 -0.055,612 -0.118,613 -0.006,614 -0.07,615 0.032,616 -0.007,617 0.034,618 0.012,619 -0.017,620 0.073,621 -0.002,622 0.038,623 -0.04,624 0.023,625 -0.099,626 -0.035,627 -0.087,628 -0.059,629 -0.105,630 -0.07,631 0.012,633 0.045,634 0.032,635 0.108,636 0.04,637 -0.003,638 0.069,639 0.068,640 0.087,641 0.06,642 0.084,643 0.616,644 1.14,645 0.944,646 12.642,647 0.979,648 1.138,649 2.475,650 6.124,651 0.625,652 3.045,653 3.296,654 3.526,655 3.761,656 3.892,657 3.829,658 3.932,659 3.97,660 3.97,661 3.932,662 5.067,663 0.569,664 245.41,665 3.045,666 4.533,667 5.352,668 6.192,669 7.027,670 7.875,671 8.717,672 9.568,673 10.414,674 11.267,675 7.3,677 1,678 1,681 1,688 5,693 1,695 6,709 1,714 41,716 6,717 1,718 20,720 43,721 15,722 6,723 1,724 5,730 3,731 3,740 4,743 4,745 6,746 9,761 1,764 23,765 3,766 1,767 3,773 3,777 1,792 1,793 2,814 1,815 1,819 3,827 18,833 8,834 1,837 1,838 2,854 8.333,855 6.9,856 4.028,857 2.703,858 1.041,859 1.164,860 0.978,861 3.936,862 7.406,863 3.178,864 3.57,865 3.966,866 4.371,867 4.738,868 4.569,869 4.795,870 4.9,871 5.032,872 5.082,873 0.833,874 22,875 6.707,877 2.774,878 7.25,879 13.755,881 11.675,883 1.75,884 31.5,885 0.007,888 258.964,889 67.841,890 24.259,895 67.841,896 258.964,897 24.259,899 17.703,900 65.392,902 9.005,903 23.542,904 235.422,906 258.964,907 92.101,911 211.88,912 47.084,915 38.838,916 53.262,919 258.964,920 24.259,921 67.841,924 258.964,925 20.46,926 53.63,927 18.011,929 258.964,930 24.259,931 67.841,933 0.56,934 0.318,935 0.177,936 0.092,937 13,938 4,939 0.07,940 3,942 1,943 3.25,944 124.637,946 17,947 71.059,951 12.154,952 5.829,953 3.122,955 24.259,956 10.759,961 1.358,963 18.011,964 351.065,965 23,975 40.141,976 46.647,977 0.238,978 0.52,979 0.727,980 0.878,981 0.891,982 0.891,983 4.388,984 1,985 5.273,986 2.136,987 3.97,988 4.248,989 1.27,990 5.984,991 3.879,992 5.465,993 0.676,994 6.753,995 2.136,996 3.219,997 3.481,998 0.57,999 6.629,1000 3.023,1001 6.681,1002 -0.106,1003 8.334,1004 1.655,1005 5.451,1006 6.076,1007 0.889,1008 9.73,1009 5.247,1010 7.925,1011 -0.671,1012 9.978,1013 -0.278,1014 5.602,1015 6.164,1016 0.598,1017 11.279,1018 5.273,1019 9.207,1020 -0.935,1021 11.664,1022 -1.53,1023 7.207,1024 8.224,1025 0.717,1026 13.816,1027 6.877,1028 10.512,1029 -1,1030 13.38,1031 -2.234,1032 7.799,1033 8.738,1034 0.577,1035 15.731,1036 7.344,1037 11.837,1038 -1,1039 15.117,1040 -2.347,1041 9.114,1042 10.537,1043 0.623,1044 18.067,1045 8.648,1046 2.93,1047 -1.414,1048 16.87,1049 -2.347,1050 9.932,1051 11.296,1052 0.548,1053 20.144,1054 9.351,1055 2.585,1056 9.239,1057 18.633,1058 -3.834,1059 11.11,1060 12.939,1061 0.563,1062 22.405,1063 10.501,1064 2.215,1065 7.573,1066 20.406,1067 3.555,1068 12.046,1069 13.854,1070 0.519,1071 24.556,1072 11.334,1073 1.7,1074 6.136,1075 22.185,1076 2.716,1077 13.159,1078 15.391,1079 0.52,1080 26.788,1081 12.405,1082 1.414,1083 4.136,1084 23.97,1085 2.423,1086 14.157,1087 16.411,1088 0.492,1089 28.974,1090 13.309,1091 1.06,1092 3.032,1093 25.76,1094 2.072,1095 15.241,1096 17.873,1097 0.486,1098 31.196,1099 14.34,1100 1,1101 2.569,1102 27.554,1103 1.5,1104 16.271,1105 18.966,1106 0.465,1107 33.399,1108 15.285,1109 3017,1110 3954,1111 14.099,1112 25.631,1113 29.325,1114 29.117,1115 29.312,1116 29.202,1117 29.16,1118 33.339,1119 4.117,1120 77.221,1121 27.901,1122 5.105,1123 5.232,1124 5.986,1125 4.906,1126 4.93,1127 6.555,1128 1.659,1129 15.518,1130 4.733,1132 1.466,1133 1.456,1134 1.466,1135 1.46,1136 1.458,1137 1.667,1138 0.206,1139 3.861,1140 1.395,1141 3.974,1142 4.032,1143 3.892,1144 3.857,1145 4.771,1146 3.858,1147 3.844,1148 3.902,1149 3.726,1150 3.711,1151 4.429,1152 3.706,1153 3.672,1154 3.741,1155 3.543,1156 3.492,1157 4.253,1158 3.496,1159 3.238,1160 3.321,1161 3.051,1162 3.078,1163 3.708,1164 3.059,1165 3.05,1166 3.159,1167 2.819,1168 2.819,1169 3.674,1170 2.804,1171 2.891,1172 2.981,1173 2.727,1174 2.735,1175 3.594,1176 2.72,1177 2.854,1178 2.925,1179 2.687,1180 2.733,1181 3.494,1182 2.715,1183 2.798,1184 2.904,1185 2.553,1186 2.571,1187 3.214,1188 2.552,1189 0.205,1190 0.162,1191 0.309,1192 0.193,1193 0.147,1194 4.105,1195 0.178,1196 3.232,1197 0.048,1198 6.184,1199 0.462,1200 3.862,1201 0.137,1202 2.93,1203 3.555,1204 0.966,1205 9.239,1206 2.733,1207 1.893,1208 1.86,1209 2.06,1210 2.029,1211 1.419,1212 2.043,1213 1.84,1214 1.776,1215 2.016,1216 1.992,1217 1.136,1218 2.002,1219 1.512,1220 1.432,1221 1.771,1222 1.744,1223 1.087,1224 1.758,1225 1.381,1226 1.301,1227 1.641,1228 1.613,1229 0.92,1230 1.628,1231 1.145,1232 1.06,1233 1.475,1234 1.367,1235 0.77,1236 1.411,1237 1.028,1238 0.923,1239 1.378,1240 1.319,1241 0.626,1242 1.347,1243 0.886,1244 0.821,1245 1.181,1246 1.062,1247 0.261,1248 1.107,1249 0.745,1250 0.676,1251 1.059,1252 0.947,1253 0.218,1254 0.991,1255 3.714,1257 4.977,1258 2.398,1259 6.435,1260 4.595,1261 7.971,1262 6.581,1263 9.547,1271 9.971,1272 3.64,1275 0.717,1276 5.054,1280 23.332,1281 52.259,1282 114.199,1283 159.785,1284 192.905,1285 195.66,1286 195.66,1287 18.356,1288 6.365,1289 18.51,1290 18.51,1291 17,1292 11.824,1293 2.807,1294 2,1295 25.878,1296 55,1297 46,1298 0.236,1299 144.076,1300 245.16,1301 343.306,1302 4387,1304 12.209,1305 0.678,1306 0.612,1307 12.209,1308 11.015,1309 8.916,1310 0.446,1311 0.359,1312 7.092,1313 8.651,1314 6.957,1315 5.755,1316 8.916,1317 7.174,1318 7.577,1319 0.291,1320 0.21,1321 7.577,1322 5.464,1323 6.29,1324 0.191,1325 0.123,1326 6.29,1327 4.069,1328 5.256,1329 0.125,1330 0.072,1331 5.256,1332 3.035,1333 4.005,1334 0.083,1335 0.044,1336 4.005,1337 2.093,1338 0.368,1339 55.136,1340 0.266,1341 18.357,1342 0.646,1343 92,1344 177.623,1345 98.272,1346 175.694,1347 247.91,1348 168,1349 105,1350 184.338,1351 112.549,1352 188.684,1353 274.77,1354 178,1355 5.5} {0 CHEMBL1085672,1 1.577,2 8.55,3 2.39,4 5.711,5 79.879,6 7.346,7 0.273,8 3.781,9 3.916,10 3.343,11 3.302,12 4.725,13 3.261,14 4.387,15 4.588,16 3.722,17 3.732,18 5.303,19 3.654,20 4.696,21 4.953,22 3.713,23 3.865,24 5.535,25 3.735,26 4.672,27 4.937,28 3.606,29 3.749,30 5.58,31 3.615,32 4.557,33 4.823,34 3.579,35 3.663,36 5.49,37 3.544,38 4.468,39 4.71,40 3.544,41 3.588,42 5.501,43 3.458,44 4.331,45 4.607,46 3.041,47 3.394,48 5.161,49 3.209,50 4.069,51 4.35,52 2.855,53 3.207,54 4.834,55 3.016,56 0.016,57 0.596,58 8.908,59 3.59,60 4.067,61 5.154,62 0.245,63 0.983,64 18.352,65 6.152,66 16.452,67 9.124,68 0.264,69 1.154,70 28.432,71 8.711,72 23.192,73 12.737,74 0.343,75 1.055,76 28.142,77 8.144,78 43.846,79 11.928,80 0.334,81 0.954,82 25.009,83 7.274,84 34.56,85 10.599,86 0.373,87 0.837,88 25.204,89 6.853,90 45.12,91 9.698,92 0.242,93 0.709,94 20.939,95 6.284,96 30.467,97 8.946,98 0.164,99 0.56,100 16.463,101 5.07,102 20.398,103 7.262,104 5,105 30,106 0.286,107 0.568,108 0.748,109 0.9,110 0.9,111 0.9,112 3.058,113 1.046,114 -3.73,115 -3.69,116 -3.51,119 37.5,121 3,125 4,127 1,140 4,142 2,157 1,169 4,171 3,172 2,176 2,178 6,182 2,184 1,186 1,189 2,193 7,199 1,203 5,206 2,215 6,226 2,231 2,233 2,242 1,244 3,254 2,256 5,259 466,260 13.637,261 13.637,262 13.637,263 13.637,264 13.637,265 12.78,266 19.968,267 8.19,268 14.033,269 10.872,270 10.872,271 10.872,272 10.872,273 10.872,274 9.55,275 29.041,276 3.918,277 11.545,278 3.745,279 2.184,280 1.188,281 0.35,282 0.35,283 0.35,284 3.738,285 1,287 1,288 1,289 1,290 369,291 2,294 53.148,295 130.476,302 1.495,303 16.718,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 42.833,315 171,316 4.316,317 3.844,318 6.641,319 4.07,320 3.13,321 3.762,322 1.741,323 10.566,324 2.935,325 3.909,326 2.996,327 5.785,328 3.582,329 2.634,330 3.232,331 0.693,332 7.989,333 2.493,334 3.517,335 2.727,336 5.31,337 3.365,338 2.417,339 2.599,340 0.4,341 6.78,342 2.279,343 3.268,344 2.543,345 4.99,346 2.927,347 2.031,348 2.408,349 0.343,350 5.778,351 1.766,352 2.716,353 2.159,354 4.359,355 2.482,356 1.504,357 1.79,359 3.83,360 1.456,361 2.599,362 1.587,363 3.81,364 2.247,365 1.293,366 1.576,368 2.981,369 1.201,370 2.375,371 1.442,372 3.583,373 2.17,374 1.165,375 1.32,377 2.783,378 1.154,379 2.248,380 1.164,381 3.471,382 2.018,383 1.047,384 1.211,386 2.491,387 1.013,388 2,389 1.134,390 3.247,391 1.958,392 1,393 1,395 2.136,396 0.955,397 1.259,398 0.546,399 2.88,400 1.051,401 0.07,402 0.076,404 0.18,405 0.068,406 0.92,407 0.207,408 2.439,409 0.543,410 -0.393,411 -0.486,413 -0.88,414 -0.255,415 0.705,416 -0.022,417 2,418 0.385,419 -0.495,420 -0.574,422 -1.157,423 -0.473,424 0.567,425 -0.589,426 2,427 0.129,428 -0.852,429 -1,431 -2.247,432 -0.823,434 -0.713,435 1.704,436 -0.023,437 -1,438 -1.003,440 -2.347,441 -0.971,443 -0.901,444 1.555,445 -0.12,446 -1.092,447 -1.322,449 -2.721,450 -1.068,451 9.748,452 0.487,453 0.435,454 0.022,455 21.5,456 1.075,457 8,458 0.4,459 13.5,460 0.675,461 17.607,462 0.88,463 22.652,464 0.566,465 13.113,466 0.656,467 3.938,468 0.197,469 5.799,470 0.29,471 0.107,473 0.287,479 0.713,480 1.593,481 0.669,482 1.115,483 0.503,484 1.033,485 0.729,486 1.19,487 0.768,488 0.96,489 0.489,490 1.004,491 0.939,492 1.014,493 0.901,494 0.98,495 0.758,496 0.985,497 1.208,498 1.024,499 0.828,500 0.915,501 1.428,502 0.933,503 1.123,504 0.875,505 0.803,506 0.802,507 1.226,508 0.832,509 1.287,510 1.003,511 1.086,512 1.07,513 1.532,514 1.047,515 1.23,516 0.904,517 1.016,518 0.957,519 1.477,520 1.008,521 0.917,522 0.848,523 1.044,524 0.944,525 0.901,526 0.981,527 3.5,528 0.033,529 2,530 1.382,531 0.943,532 0.511,533 0.37,534 0.118,535 0.058,536 0.063,537 3891,538 9413,539 2.107,540 50,541 2,542 13,545 1,547 4,550 1.616,551 2,552 3.1,553 -0.271,554 1,555 1,557 1,559 63.08,560 1.577,561 3.138,562 4.134,563 4.972,564 4.972,565 4.972,566 2.546,567 3.822,568 4.293,569 3.237,570 614.947,571 7.328,572 6251,573 1,574 1,576 1,577 212.877,578 1.295,579 4.266,580 0.159,581 0.005,582 0.067,583 0.049,584 0.039,585 0.021,586 0.018,587 0.009,588 0.005,589 0.006,590 0.38,591 0.83,592 1,593 0.548,594 88.524,595 -0.021,596 -0.288,597 0.035,598 -0.079,599 0.007,600 -0.016,601 0.117,602 0.01,603 -0.001,604 -0.009,605 0.083,606 -0.046,607 -0.048,608 0.005,609 -0.023,610 -0.036,611 0.01,612 -0.026,613 -0.074,614 -0.076,615 0.022,616 0.002,617 -0.064,618 0.005,619 0.007,620 0.097,621 0.073,622 0.11,623 0.019,624 0.1,625 0.017,626 -0.046,627 -0.031,628 -0.102,629 0.029,630 -0.095,631 -0.163,632 -0.013,633 -0.093,634 -0.006,635 -0.159,636 -0.046,637 -0.102,638 0.058,639 -0.062,640 0.042,641 -0.111,642 0.012,643 1.57,644 5.472,645 0.85,646 14.93,647 0.998,648 1.135,649 2.5,650 6.25,651 0.655,652 3.135,653 3.434,654 3.689,655 3.932,656 4.078,657 4.06,658 4.143,659 4.22,660 4.19,661 4.143,662 5.176,663 0.609,664 293.83,665 3.135,666 4.654,667 5.493,668 6.358,669 7.215,670 8.087,671 8.951,672 9.828,673 10.697,674 11.576,675 7.5,677 1,682 2,688 4,693 2,695 6,713 1,714 40,716 7,717 1,718 22,720 42,721 15,722 6,723 2,724 4,730 3,731 3,732 1,735 1,740 4,743 4,745 7,746 8,750 1,755 1,759 1,760 1,761 1,764 20,765 4,766 1,767 5,768 1,773 3,777 1,778 1,792 1,793 2,814 1,819 3,824 1,827 20,833 7,834 1,837 1,838 2,846 1,847 2.5,850 1,854 10,855 6.876,856 4.417,857 2.625,858 1.112,859 1.169,860 0.972,861 4.366,862 7.69,863 3.296,864 3.75,865 4.178,866 4.606,867 4.982,868 4.992,869 5.136,870 5.351,871 5.305,872 5.369,873 0.833,874 28,875 7.448,877 3.17,878 7.622,879 14.652,881 12.386,883 2.122,884 42.444,885 0.001,888 223.651,889 64.465,890 24.259,891 39.149,892 25.145,895 64.465,896 287.945,897 24.259,899 22.275,900 55.916,901 25.145,902 6.257,903 4.276,904 223.651,905 39.149,906 223.651,907 88.724,908 25.145,909 39.149,911 176.567,912 72.229,915 40.286,916 48.438,917 39.149,919 223.651,920 49.404,921 103.613,924 223.651,925 26.56,926 44.154,927 18.011,928 64.294,929 223.651,930 49.404,931 103.613,933 0.575,934 0.333,935 0.181,936 0.095,937 15,938 6,939 0.071,940 3,942 1,943 3.308,944 148.473,946 17,947 86.439,951 14.021,952 6.227,953 3.229,955 49.404,956 7.5,961 1.56,963 18.011,964 376.668,965 26,970 12.472,974 0.097,975 39.909,976 45.385,977 0.296,978 0.59,979 0.777,980 0.934,981 0.934,982 0.934,983 4.538,984 1.047,985 5.46,986 2.783,987 4.111,988 4.431,989 2.001,990 6.24,991 3.994,992 5.671,993 1,994 6.997,995 2.491,996 3.611,997 4.06,998 1.404,999 7.076,1000 3.36,1001 6.936,1002 0.07,1003 8.637,1004 2.136,1005 5.666,1006 6.375,1007 2.602,1008 10.191,1009 5.429,1010 8.231,1011 -0.393,1012 10.34,1013 0.18,1014 6.019,1015 6.819,1016 2.602,1017 11.902,1018 5.657,1019 9.564,1020 -0.495,1021 12.084,1022 -0.88,1023 7.522,1024 8.636,1025 3.515,1026 14.524,1027 7.161,1028 10.92,1029 -0.852,1030 13.859,1031 -1.157,1032 8.278,1033 9.455,1034 3.779,1035 16.597,1036 7.809,1037 12.294,1038 -1,1039 15.656,1040 -2.247,1041 9.551,1042 11.058,1043 4.533,1044 19.05,1045 9.062,1046 3.13,1047 -1.092,1048 17.469,1049 -2.347,1050 10.501,1051 12.072,1052 4.932,1053 21.28,1054 9.919,1055 2.634,1056 10.566,1057 19.297,1058 -2.721,1059 11.681,1060 13.565,1061 5.597,1062 23.673,1063 11.061,1064 2.417,1065 7.989,1066 21.135,1067 3.762,1068 12.725,1069 14.69,1070 6.067,1071 25.972,1072 12.023,1073 2.031,1074 6.78,1075 22.982,1076 3.232,1077 13.869,1078 16.12,1079 6.682,1080 28.342,1081 13.117,1082 1.504,1083 5.778,1084 24.837,1085 2.599,1086 14.958,1087 17.314,1088 7.191,1089 30.672,1090 14.132,1091 1.293,1092 3.83,1093 26.697,1094 2.408,1095 16.092,1096 18.705,1097 7.779,1098 33.034,1099 15.208,1100 1.165,1101 2.981,1102 28.562,1103 1.79,1104 17.204,1105 19.944,1106 8.309,1107 35.378,1108 16.25,1109 3769,1110 5994,1111 14.909,1112 26.182,1113 32.778,1114 33.776,1115 33.606,1116 32.827,1117 32.581,1118 37.949,1119 6.355,1120 91.029,1121 30.64,1122 5.316,1123 5.844,1124 6.443,1125 5.115,1126 5.13,1127 6.762,1128 3.026,1129 17.743,1130 4.935,1131 7.474,1132 1.49,1133 1.535,1134 1.528,1135 1.492,1136 1.481,1137 1.725,1138 0.289,1139 4.138,1140 1.393,1141 3.98,1142 4.028,1143 4.017,1144 3.869,1145 7.428,1146 3.87,1147 3.847,1148 3.901,1149 3.786,1150 3.713,1151 4.94,1152 3.709,1153 3.682,1154 3.737,1155 3.626,1156 3.494,1157 4.423,1158 3.508,1159 3.239,1160 3.321,1161 3.28,1162 3.08,1163 4.346,1164 3.061,1165 3.05,1166 3.159,1167 3.036,1168 2.822,1169 4.114,1170 2.806,1171 2.926,1172 2.971,1173 2.818,1174 2.801,1175 3.704,1176 2.776,1177 2.878,1178 2.921,1179 2.783,1180 2.733,1181 3.595,1182 2.726,1183 2.827,1184 2.897,1185 2.7,1186 2.566,1187 3.51,1188 2.604,1189 0.196,1190 0.175,1191 0.302,1192 0.185,1193 0.142,1194 4.316,1195 0.171,1196 3.844,1197 0.079,1198 6.641,1199 0.48,1200 4.07,1201 0.133,1202 3.13,1203 3.762,1204 1.741,1205 10.566,1206 2.935,1207 1.885,1208 1.861,1209 2.058,1210 2.027,1211 1.417,1212 2.041,1213 1.839,1214 1.775,1215 1.975,1216 1.976,1217 1.132,1218 1.983,1219 1.506,1220 1.43,1221 1.76,1222 1.739,1223 1.047,1224 1.748,1225 1.353,1226 1.294,1227 1.596,1228 1.593,1229 0.908,1230 1.588,1231 1.121,1232 1.054,1233 1.431,1234 1.359,1235 0.684,1236 1.391,1237 1.018,1238 0.922,1239 1.271,1240 1.314,1241 0.422,1242 1.321,1243 0.868,1244 0.824,1245 1.1,1246 1.016,1247 0.229,1248 1.059,1249 0.726,1250 0.672,1251 1.032,1252 0.935,1253 0.159,1254 0.98,1255 3.807,1257 5.106,1258 2.398,1259 6.6,1260 4.727,1261 8.177,1262 6.804,1263 9.795,1266 6.001,1271 7.105,1272 3.497,1275 0.451,1276 3.762,1280 24.348,1281 63.08,1282 125.519,1283 165.367,1284 198.877,1285 198.877,1286 198.877,1287 30.073,1288 6.578,1289 35.58,1290 35.58,1291 17,1292 12.115,1293 3,1294 2.322,1295 29.993,1296 62,1297 57,1298 0.243,1299 153.478,1300 266.52,1301 366.246,1302 5542,1303 2.5,1304 13.949,1305 0.697,1306 0.614,1307 14.449,1308 12.273,1309 9.737,1310 0.443,1311 0.349,1312 7.233,1313 9.105,1314 7.085,1315 5.82,1316 10.026,1317 7.671,1318 8.632,1319 0.288,1320 0.198,1321 9.04,1322 5.943,1323 7.233,1324 0.185,1325 0.11,1326 7.495,1327 4.303,1328 6,1329 0.12,1330 0.063,1331 6.254,1332 3.166,1333 4.54,1334 0.078,1335 0.037,1336 4.745,1337 2.17,1338 0.375,1339 63.742,1340 0.259,1341 19.941,1342 0.683,1343 104,1344 271.562,1345 128.783,1346 291.212,1347 387.24,1348 272,1349 121,1350 260.246,1351 140.966,1352 271.169,1353 398.71,1354 256,1355 6.3} {0 CHEMBL108645,1 1.517,2 14.469,3 2.868,4 8.227,5 127.564,6 6.763,7 0.343,8 4.264,9 4.398,10 3.756,11 3.7,12 5.266,13 3.684,14 4.848,15 5.059,16 4.086,17 4.09,18 5.778,19 4.055,20 5.071,21 5.29,22 4.173,23 4.309,24 5.965,25 4.231,26 5.203,27 5.44,28 4.1,29 4.358,30 6.092,31 4.234,32 5.248,33 5.523,34 4.034,35 4.303,36 6.099,37 4.166,38 5.091,39 5.349,40 3.963,41 4.195,42 5.921,43 4.068,44 5.037,45 5.299,46 3.928,47 4.094,48 5.94,49 3.982,50 4.995,51 5.257,52 3.842,53 3.991,54 5.94,55 3.9,56 0.021,57 0.966,58 15.409,59 5.491,60 9.871,61 8.159,62 0.482,63 1.517,64 29.779,65 8.288,66 32.774,67 13.062,68 0.455,69 1.85,70 36.772,71 11.779,72 31.966,73 17.768,74 0.371,75 1.946,76 42.044,77 14.388,78 48.564,79 21.345,80 0.692,81 1.895,82 45.285,83 14.019,84 64.277,85 21.521,86 0.467,87 1.694,88 38.119,89 12.246,90 39.401,91 18.702,92 0.522,93 1.569,94 36.482,95 10.857,96 49.483,97 16.931,98 0.581,99 1.436,100 35.791,101 9.399,102 57.09,103 14.8,104 21,105 48,106 0.243,107 0.485,108 0.629,109 0.733,110 0.798,111 0.813,112 3.502,113 0.955,114 -2.76,115 -2.77,116 -2.69,119 36.9,124 3,125 8,140 7,142 5,157 1,169 3,171 1,172 6,174 2,176 2,178 3,181 3,182 7,186 1,189 3,193 5,195 1,202 2,203 5,206 2,214 3,215 3,225 2,226 5,229 1,231 2,236 1,237 3,242 2,248 3,256 4,259 1822,260 21.911,261 21.911,262 21.911,263 21.911,264 21.911,265 20.382,266 36.901,267 12.793,268 22.751,269 17.118,270 17.118,271 17.118,272 17.118,273 17.118,274 14.632,275 55.177,276 5.899,277 18.253,278 4.506,279 2.999,280 2.107,281 1.458,282 1.05,283 0.958,284 4.199,288 1,289 1,290 998,291 3.24,295 467.866,302 2.252,303 23.041,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 69.5,315 463,316 4.354,317 3.692,318 6.521,319 4.007,320 3.059,321 3.963,322 1.701,323 10.269,324 2.899,325 4.149,326 3.301,327 6.173,328 3.863,329 2.922,330 3.691,331 0.86,332 9.139,333 2.748,334 3.968,335 3.115,336 6.013,337 3.686,338 2.735,339 3.181,340 0.86,341 8.582,342 2.591,343 3.668,344 2.785,345 5.353,346 3.403,347 2.469,348 2.932,349 0.8,350 6.891,351 2.304,352 3.571,353 2.777,354 5.297,355 3.319,356 2.389,357 2.778,358 0.8,359 6.758,360 2.215,361 3.418,362 2.441,363 5.205,364 3.137,365 2.196,366 2.526,367 0.8,368 6.405,369 2.059,370 3.101,371 2.401,372 4.923,373 2.874,374 1.965,375 2.18,376 0.563,377 5.603,378 1.783,379 2.902,380 2.244,381 4.437,382 2.594,383 1.624,384 1.941,385 0.075,386 4.381,387 1.565,388 2.5,389 1.672,390 4.034,391 2.121,392 1.168,393 1.5,395 3.214,396 1.106,397 2.468,398 1.335,399 3.944,400 2.105,401 1.131,402 1.46,404 3.008,405 1.094,406 2.395,407 1.146,408 3.414,409 2,410 1,411 1.335,413 2.275,414 1,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.096,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.795,434 1.039,435 3.022,436 1.514,437 0.629,438 0.705,440 1.109,441 0.55,442 1.642,443 1,444 2.831,445 1.366,446 0.498,447 0.551,449 0.771,450 0.428,451 15,452 0.469,453 0.691,454 0.022,455 38.25,456 1.195,457 16,458 0.5,459 22.25,460 0.695,461 29.195,462 0.912,463 36.6,464 0.563,465 30.408,466 0.95,467 7.901,468 0.247,469 7.666,470 0.24,471 0.122,473 0.307,479 0.881,480 1.752,481 0.865,482 1.369,483 0.613,484 1.145,485 1.285,486 1.01,487 0.988,488 0.805,489 0.672,490 0.826,491 1.044,492 1.044,493 1.086,494 1.048,495 0.86,496 1.056,497 0.951,498 1.224,499 1.082,500 1.242,501 1.266,502 1.197,503 0.934,504 0.891,505 0.955,506 0.911,507 1.331,508 0.935,509 0.85,510 1.101,511 0.981,512 1.089,513 0.866,514 1.063,515 0.922,516 1.083,517 0.957,518 1.043,519 0.91,520 1.006,521 1.562,522 0.941,523 1.08,524 0.854,525 1.969,526 0.884,527 6.5,528 0.144,529 4,530 1.688,531 1.6,532 1.146,533 0.807,534 0.573,535 0.336,536 0.184,537 15547,538 36008,539 2.082,540 50.8,542 32,545 1,550 1.741,551 1.959,552 3.777,553 -0.341,555 1,559 98.585,560 1.517,561 3.024,562 3.916,563 4.564,564 4.972,565 5.064,566 3.254,567 4.476,568 4.969,569 3.947,570 1957.78,571 8.671,572 29680.1,577 391.454,578 1.366,579 4.936,580 0.186,581 0.005,582 0.083,583 0.033,584 0.036,585 0.027,586 0.021,587 0.015,588 0.01,589 0.006,590 0.423,591 0.33,592 1,593 0.781,594 171.019,595 -0.008,596 -0.434,597 0.087,598 -0.201,599 0.012,600 -0.067,601 -0.088,602 0.164,603 0.033,604 0.175,605 0.063,606 0.133,607 -0.08,608 0.098,609 -0.106,610 -0.021,611 -0.024,612 -0.056,613 -0.058,614 -0.198,615 -0.12,616 -0.196,617 -0.083,618 -0.175,619 0.031,620 0.057,621 0.029,622 0.055,623 -0.072,624 0.042,625 0.046,626 -0.106,627 -0.01,628 -0.089,629 -0.009,630 -0.066,631 0.094,632 -0.097,633 0.036,634 -0.079,635 0.122,636 -0.035,637 -0.175,638 0.014,639 -0.034,640 0.056,641 -0.114,642 0.038,643 1.728,644 5.907,645 0.75,646 38.246,647 0.998,648 1.137,649 1.529,650 2.338,651 0.632,652 3.584,653 3.892,654 4.159,655 4.369,656 4.625,657 4.682,658 4.796,659 4.836,660 4.89,661 4.99,662 8.117,663 0.594,664 439.62,665 3.584,666 5.118,667 5.964,668 6.828,669 7.688,670 8.555,671 9.42,672 10.29,673 11.157,674 12.028,675 7.7,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 2,714 65,716 13,717 2,718 35,720 68,721 24,722 12,723 5,724 7,730 4,731 4,735 1,745 13,746 11,750 1,755 1,759 1,764 33,765 8,766 1,767 8,773 5,777 1,778 3,793 4,815 1,819 4,823 3,827 32,833 8,834 1,835 2,838 4,847 4.6,850 1,852 2,854 16.333,855 12.383,856 7.194,857 3.796,858 2.114,859 1.27,860 0.965,861 7.654,862 9.938,863 3.761,864 4.263,865 4.749,866 5.208,867 5.696,868 5.813,869 6.046,870 6.17,871 6.285,872 6.515,873 0.9,874 51,875 11.862,877 4.897,878 7.578,879 23.159,881 18.767,883 2.078,884 66.5,888 376.675,889 136.375,890 30.508,892 47.145,895 136.375,896 423.82,897 30.508,898 30.162,899 37.981,900 66.334,901 25.145,902 50.13,903 4.276,904 376.675,906 376.675,907 166.883,908 47.145,911 376.675,912 47.145,915 41.105,916 125.778,919 376.675,920 77.653,921 136.375,924 376.675,925 39.879,926 108.993,927 18.011,928 47.145,929 376.675,930 77.653,931 136.375,933 0.577,934 0.344,935 0.177,936 0.1,937 22,938 10,939 0.074,940 5,942 1,943 4.38,944 283.936,946 24,947 148,951 23.018,952 10.64,953 5.622,955 77.653,956 13.925,961 4.658,963 18.011,964 590.703,965 42,970 12.907,974 -0.061,975 64.861,976 73.933,977 0.252,978 0.502,979 0.65,980 0.758,981 0.826,982 0.841,983 5.011,984 1.624,985 5.938,986 5.603,987 4.575,988 4.949,989 2.508,990 6.72,991 4.456,992 6.166,993 1.168,994 7.483,995 4.381,996 4.111,997 4.649,998 1.577,999 7.573,1000 3.915,1001 7.446,1002 1.131,1003 9.123,1004 3.214,1005 6.151,1006 6.983,1007 2.765,1008 10.622,1009 5.915,1010 8.755,1011 1,1012 10.819,1013 3.008,1014 6.494,1015 7.48,1016 2.548,1017 12.285,1018 6.176,1019 10.096,1020 1,1021 12.55,1022 2.275,1023 7.982,1024 9.314,1025 3.467,1026 14.845,1027 7.633,1028 11.457,1029 1,1030 14.306,1031 2.275,1032 8.698,1033 10.182,1034 3.624,1035 16.853,1036 8.272,1037 12.833,1038 0.629,1039 16.079,1040 2.275,1041 9.956,1042 11.8,1043 4.379,1044 19.242,1045 9.495,1046 3.059,1047 0.498,1048 17.866,1049 1.109,1050 10.857,1051 12.868,1052 4.72,1053 21.407,1054 10.325,1055 2.922,1056 10.269,1057 19.664,1058 0.771,1059 12.014,1060 14.375,1061 5.378,1062 23.735,1063 11.442,1064 2.735,1065 9.139,1066 21.471,1067 3.963,1068 13.009,1069 15.559,1070 5.809,1071 25.974,1072 12.372,1073 2.469,1074 8.582,1075 23.284,1076 3.691,1077 14.124,1078 17.005,1079 6.41,1080 28.283,1081 13.442,1082 2.389,1083 6.891,1084 25.104,1085 3.181,1086 15.167,1087 18.259,1088 6.887,1089 30.558,1090 14.424,1091 2.196,1092 6.758,1093 26.93,1094 2.932,1095 16.265,1096 19.67,1097 7.458,1098 32.863,1099 15.474,1100 1.965,1101 6.405,1102 28.76,1103 2.778,1104 17.333,1105 20.967,1106 7.96,1107 35.156,1108 16.484,1109 14796,1110 22656,1111 23.463,1112 41.052,1113 51.86,1114 52.99,1115 53.706,1116 51.561,1117 51.571,1118 61.489,1119 12.92,1120 145.912,1121 48.543,1122 5.354,1123 5.692,1124 6.072,1125 5.075,1126 5.059,1127 6.963,1128 2.972,1129 16.994,1130 4.899,1131 15.587,1132 1.482,1133 1.514,1134 1.534,1135 1.473,1136 1.473,1137 1.757,1138 0.369,1139 4.169,1140 1.387,1141 4.007,1142 4.052,1143 3.947,1144 3.884,1145 7.429,1146 3.893,1147 3.933,1148 3.973,1149 3.874,1150 3.833,1151 4.883,1152 3.838,1153 3.768,1154 3.83,1155 3.673,1156 3.567,1157 4.851,1158 3.581,1159 3.716,1160 3.77,1161 3.607,1162 3.542,1163 4.442,1164 3.549,1165 3.371,1166 3.42,1167 3.293,1168 3.083,1169 4.413,1170 3.128,1171 3.248,1172 3.315,1173 3.079,1174 2.969,1175 4.348,1176 2.982,1177 3.201,1178 3.299,1179 3.015,1180 2.941,1181 4.189,1182 2.94,1183 3.147,1184 3.221,1185 2.97,1186 2.941,1187 3.886,1188 2.91,1189 0.124,1190 0.105,1191 0.186,1192 0.114,1193 0.087,1194 4.354,1195 0.113,1196 3.692,1197 0.049,1198 6.521,1199 0.293,1200 4.007,1201 0.083,1202 3.059,1203 3.963,1204 1.701,1205 10.269,1206 2.899,1207 1.922,1208 1.89,1209 2.042,1210 2.08,1211 1.306,1212 2.071,1213 1.905,1214 1.874,1215 2.027,1216 2.05,1217 1.293,1218 2.046,1219 1.718,1220 1.651,1221 1.908,1222 1.924,1223 1.052,1224 1.921,1225 1.679,1226 1.617,1227 1.872,1228 1.867,1229 1.024,1230 1.87,1231 1.249,1232 1.194,1233 1.574,1234 1.572,1235 0.825,1236 1.559,1237 1.191,1238 1.117,1239 1.566,1240 1.505,1241 0.825,1242 1.525,1243 1.174,1244 1.072,1245 1.54,1246 1.469,1247 0.641,1248 1.495,1249 1.153,1250 1.064,1251 1.513,1252 1.386,1253 0.577,1254 1.429,1255 4.263,1257 5.572,1259 7.084,1261 8.679,1263 10.315,1265 5.498,1271 6.869,1272 3.08,1273 10.814,1276 8.81,1280 38.627,1281 98.585,1282 196.545,1283 254.518,1284 296.66,1285 323.189,1286 329.189,1287 50.465,1288 7.824,1289 60.52,1290 60.52,1291 24,1292 12.571,1293 3.807,1294 3,1295 52.16,1296 157,1297 174,1298 0.16,1299 236.881,1300 415.41,1301 569.751,1302 29475,1304 22.501,1305 0.703,1306 0.6,1307 22.501,1308 19.212,1309 15.567,1310 0.445,1311 0.318,1312 10.9,1313 14.715,1314 10.581,1315 8.768,1316 15.567,1317 11.136,1318 13.608,1319 0.284,1320 0.172,1321 13.608,1322 8.279,1323 11.809,1324 0.187,1325 0.1,1326 11.809,1327 6.279,1328 9.343,1329 0.12,1330 0.054,1331 9.343,1332 4.226,1333 7.694,1334 0.076,1335 0.03,1336 7.694,1337 3.037,1338 0.259,1339 99.041,1340 0.206,1341 30.438,1342 0.42,1343 166,1344 470.12,1345 185.184,1346 441.917,1347 605.37,1348 418,1349 194,1350 441.192,1351 214.464,1352 446.545,1353 649.08,1354 416,1355 6.638} {0 CHEMBL108722,1 1.517,2 13.844,3 2.868,4 8.227,5 127.564,6 6.763,7 0.343,8 4.264,9 4.398,10 3.756,11 3.7,12 5.266,13 3.684,14 4.848,15 5.059,16 4.086,17 4.09,18 5.779,19 4.055,20 5.071,21 5.29,22 4.173,23 4.309,24 5.962,25 4.231,26 5.203,27 5.44,28 4.122,29 4.358,30 6.096,31 4.237,32 5.252,33 5.524,34 4.072,35 4.308,36 6.111,37 4.184,38 5.115,39 5.36,40 3.993,41 4.227,42 5.969,43 4.108,44 5.09,45 5.356,46 3.919,47 4.15,48 5.974,49 4.013,50 5.05,51 5.341,52 3.812,53 3.997,54 5.931,55 3.885,56 0.021,57 0.966,58 15.409,59 5.491,60 9.871,61 8.159,62 0.482,63 1.517,64 29.779,65 8.288,66 32.885,67 13.062,68 0.455,69 1.85,70 36.772,71 11.779,72 31.396,73 17.768,74 0.4,75 1.946,76 42.08,77 14.406,78 48.758,79 21.38,80 0.664,81 1.907,82 45.557,83 13.857,84 63.344,85 21.247,86 0.546,87 1.738,88 39.181,89 12.35,90 42.81,91 18.655,92 0.548,93 1.648,94 38.317,95 12.019,96 52.081,97 18.576,98 0.514,99 1.478,100 37.822,101 9.933,102 55.028,103 16.078,104 21,105 48,106 0.243,107 0.485,108 0.642,109 0.756,110 0.818,111 0.833,112 3.502,113 0.955,114 -2.76,115 -2.77,116 -2.69,119 36.9,124 3,125 8,140 7,142 5,157 1,169 3,171 1,172 6,174 2,176 2,178 4,181 3,182 5,186 1,189 2,192 1,193 7,195 1,202 1,203 5,206 2,214 3,215 2,225 3,226 6,229 1,231 2,237 2,242 1,248 4,249 1,252 1,254 1,256 4,259 1790,260 21.911,261 21.911,262 21.911,263 21.911,264 21.911,265 20.382,266 36.901,267 12.834,268 22.751,269 17.135,270 17.135,271 17.135,272 17.135,273 17.135,274 14.638,275 56.882,276 5.925,277 18.266,278 4.506,279 2.999,280 2.022,281 1.312,282 0.927,283 0.835,284 4.199,288 1,289 1,290 955,291 3.24,295 463.102,302 2.176,303 23.215,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 69.5,315 443,316 4.354,317 3.692,318 6.521,319 4.007,320 3.059,321 3.963,322 1.701,323 10.269,324 2.899,325 4.176,326 3.301,327 6.192,328 3.877,329 2.935,330 3.726,331 0.86,332 9.233,333 2.763,334 3.97,335 3.138,336 6.02,337 3.697,338 2.747,339 3.18,340 0.86,341 8.608,342 2.599,343 3.62,344 2.781,345 5.354,346 3.401,347 2.468,348 2.844,349 0.8,350 6.901,351 2.302,352 3.544,353 2.748,354 5.284,355 3.276,356 2.346,357 2.748,358 0.8,359 6.692,360 2.174,361 3.414,362 2.437,363 5.203,364 3.124,365 2.184,366 2.526,367 0.8,368 6.397,369 2.046,370 3.101,371 2.401,372 4.923,373 2.873,374 1.965,375 2.18,376 0.563,377 5.603,378 1.782,379 2.905,380 2.232,381 4.389,382 2.57,383 1.601,384 1.983,385 0.075,386 4.246,387 1.541,388 2.663,389 1.672,390 4.028,391 2.242,392 1.263,393 1.697,395 3.211,396 1.229,397 2.468,398 1.335,399 3.941,400 2.109,401 1.136,402 1.46,404 3.014,405 1.103,406 2.317,407 1.173,408 3.481,409 1.995,410 1.025,411 1.25,413 2.505,414 0.988,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.794,434 1.095,435 3.018,436 1.511,437 0.625,438 0.702,440 1.103,441 0.547,442 1.583,443 0.935,444 2.764,445 1.293,446 0.428,447 0.48,449 0.622,450 0.367,451 15,452 0.469,453 0.691,454 0.022,455 38.25,456 1.195,457 16,458 0.5,459 22.25,460 0.695,461 29.341,462 0.917,463 36.6,464 0.563,465 30.515,466 0.954,467 7.901,468 0.247,469 7.666,470 0.24,471 0.122,473 0.307,479 0.881,480 1.752,481 0.865,482 1.369,483 0.613,484 1.145,485 1.285,486 1.01,487 0.988,488 0.805,489 0.671,490 0.826,491 1.044,492 1.044,493 1.086,494 1.048,495 0.871,496 1.056,497 0.898,498 1.224,499 1.051,500 1.241,501 1.239,502 1.187,503 1.053,504 0.901,505 0.96,506 0.899,507 1.356,508 0.915,509 1.087,510 1.082,511 1.099,512 1.092,513 0.976,514 1.101,515 0.748,516 1.123,517 0.963,518 1.117,519 0.848,520 1.08,521 1.287,522 0.898,523 0.927,524 0.795,525 1.749,526 0.796,527 6.5,528 0.153,529 3.778,530 1.813,531 1.68,532 1.146,533 0.745,534 0.601,535 0.357,536 0.148,537 15331,538 35368,539 2.082,540 50.8,542 32,545 1,550 1.742,551 1.959,552 3.735,553 -0.341,555 1,559 98.585,560 1.517,561 3.024,562 4,563 4.71,564 5.095,565 5.188,566 3.219,567 4.539,568 4.971,569 3.908,570 1938.45,571 8.677,572 29284,577 391.454,578 1.366,579 4.936,580 0.186,581 0.006,582 0.079,583 0.036,584 0.037,585 0.026,586 0.019,587 0.017,588 0.011,589 0.005,590 0.419,591 0.33,592 1,593 0.781,594 170.608,595 -0.008,596 -0.434,597 0.087,598 -0.201,599 0.012,600 -0.067,601 -0.088,602 0.164,603 0.033,604 0.175,605 0.064,606 0.133,607 -0.08,608 0.098,609 -0.106,610 -0.021,611 -0.034,612 -0.056,613 -0.004,614 -0.198,615 -0.09,616 -0.195,617 -0.058,618 -0.164,619 -0.018,620 0.052,621 0.034,622 0.063,623 -0.077,624 0.057,625 -0.041,626 -0.069,627 -0.111,628 -0.094,629 -0.071,630 -0.114,631 0.156,632 -0.151,633 0.011,634 -0.133,635 0.126,636 -0.092,637 -0.116,638 0.013,639 0.097,640 0.097,641 -0.056,642 0.13,643 1.732,644 5.921,645 0.75,646 37.184,647 0.998,648 1.137,649 1.529,650 2.338,651 0.632,652 3.584,653 3.892,654 4.159,655 4.382,656 4.635,657 4.673,658 4.787,659 4.852,660 4.905,661 4.949,662 7.974,663 0.594,664 439.62,665 3.584,666 5.118,667 5.964,668 6.83,669 7.69,670 8.56,671 9.426,672 10.297,673 11.165,674 12.037,675 7.7,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 2,714 65,716 13,717 2,718 35,720 68,721 24,722 12,723 5,724 7,730 4,731 4,735 1,745 13,746 11,750 1,755 1,759 1,764 33,765 8,766 1,767 8,773 5,777 1,778 3,793 4,815 1,819 4,823 3,827 32,833 8,834 1,835 2,838 4,847 4.6,850 1,852 2,854 16.333,855 12.383,856 7.194,857 3.796,858 2.131,859 1.272,860 0.965,861 7.654,862 9.955,863 3.761,864 4.263,865 4.749,866 5.22,867 5.696,868 5.794,869 6.039,870 6.184,871 6.298,872 6.472,873 1,874 51,875 11.863,877 4.899,878 7.578,879 23.159,881 18.767,883 2.078,884 66.5,888 376.675,889 136.375,890 30.508,892 47.145,895 136.375,896 423.82,897 30.508,898 30.162,899 37.981,900 66.334,901 25.145,902 50.13,903 4.276,904 376.675,906 376.675,907 166.883,908 47.145,911 376.675,912 47.145,915 41.105,916 125.778,919 376.675,920 77.653,921 136.375,924 376.675,925 39.879,926 108.993,927 18.011,928 47.145,929 376.675,930 77.653,931 136.375,933 0.575,934 0.343,935 0.18,936 0.102,937 22,938 10,939 0.074,940 5,942 1,943 4.358,944 285.207,946 24,947 152,951 23.018,952 10.64,953 5.622,955 77.653,956 13.914,961 4.621,963 18.011,964 590.703,965 42,970 12.921,974 -0.065,975 64.861,976 73.933,977 0.252,978 0.502,979 0.664,980 0.782,981 0.846,982 0.861,983 5.011,984 1.601,985 5.938,986 5.603,987 4.575,988 4.949,989 2.508,990 6.723,991 4.456,992 6.166,993 1.263,994 7.483,995 4.246,996 4.111,997 4.649,998 1.577,999 7.573,1000 3.915,1001 7.446,1002 1.136,1003 9.123,1004 3.211,1005 6.151,1006 6.983,1007 2.765,1008 10.633,1009 5.915,1010 8.755,1011 1.025,1012 10.82,1013 3.014,1014 6.494,1015 7.48,1016 2.548,1017 12.293,1018 6.176,1019 10.097,1020 1,1021 12.552,1022 2.505,1023 7.984,1024 9.316,1025 3.467,1026 14.862,1027 7.635,1028 11.458,1029 1,1030 14.309,1031 2.275,1032 8.703,1033 10.19,1034 3.624,1035 16.87,1036 8.277,1037 12.835,1038 0.625,1039 16.084,1040 2.275,1041 9.962,1042 11.809,1043 4.379,1044 19.263,1045 9.502,1046 3.059,1047 0.428,1048 17.872,1049 1.103,1050 10.867,1051 12.885,1052 4.72,1053 21.43,1054 10.336,1055 2.935,1056 10.269,1057 19.671,1058 0.622,1059 12.026,1060 14.393,1061 5.378,1062 23.76,1063 11.455,1064 2.747,1065 9.233,1066 21.479,1067 3.963,1068 13.024,1069 15.584,1070 5.809,1071 25.999,1072 12.388,1073 2.468,1074 8.608,1075 23.294,1076 3.726,1077 14.14,1078 17.031,1079 6.41,1080 28.309,1081 13.46,1082 2.346,1083 6.901,1084 25.115,1085 3.18,1086 15.186,1087 18.29,1088 6.887,1089 30.583,1090 14.445,1091 2.184,1092 6.692,1093 26.941,1094 2.844,1095 16.286,1096 19.701,1097 7.458,1098 32.888,1099 15.496,1100 1.965,1101 6.397,1102 28.772,1103 2.748,1104 17.356,1105 21.001,1106 7.96,1107 35.181,1108 16.508,1109 14592,1110 22304,1111 23.463,1112 41.052,1113 51.818,1114 53.076,1115 53.606,1116 51.534,1117 51.566,1118 61.475,1119 12.92,1120 145.911,1121 48.537,1122 5.354,1123 5.692,1124 6.111,1125 5.075,1126 5.059,1127 6.963,1128 2.972,1129 16.994,1130 4.899,1131 15.502,1132 1.481,1133 1.516,1134 1.532,1135 1.472,1136 1.473,1137 1.756,1138 0.369,1139 4.169,1140 1.387,1141 4.007,1142 4.052,1143 3.947,1144 3.884,1145 7.429,1146 3.893,1147 3.933,1148 3.973,1149 3.875,1150 3.833,1151 4.883,1152 3.838,1153 3.768,1154 3.83,1155 3.672,1156 3.567,1157 4.85,1158 3.581,1159 3.715,1160 3.77,1161 3.606,1162 3.542,1163 4.436,1164 3.549,1165 3.366,1166 3.416,1167 3.286,1168 3.079,1169 4.41,1170 3.124,1171 3.249,1172 3.315,1173 3.074,1174 2.97,1175 4.348,1176 2.982,1177 3.205,1178 3.301,1179 3.017,1180 2.941,1181 4.218,1182 2.94,1183 3.159,1184 3.233,1185 2.995,1186 2.941,1187 3.888,1188 2.91,1189 0.124,1190 0.105,1191 0.186,1192 0.114,1193 0.087,1194 4.354,1195 0.113,1196 3.692,1197 0.049,1198 6.521,1199 0.293,1200 4.007,1201 0.083,1202 3.059,1203 3.963,1204 1.701,1205 10.269,1206 2.899,1207 1.922,1208 1.89,1209 2.041,1210 2.08,1211 1.306,1212 2.071,1213 1.905,1214 1.874,1215 2.027,1216 2.05,1217 1.293,1218 2.046,1219 1.718,1220 1.651,1221 1.908,1222 1.924,1223 1.052,1224 1.921,1225 1.679,1226 1.617,1227 1.873,1228 1.866,1229 1.024,1230 1.87,1231 1.247,1232 1.19,1233 1.574,1234 1.569,1235 0.825,1236 1.558,1237 1.194,1238 1.12,1239 1.568,1240 1.507,1241 0.825,1242 1.527,1243 1.174,1244 1.073,1245 1.54,1246 1.472,1247 0.641,1248 1.497,1249 1.153,1250 1.064,1251 1.513,1252 1.392,1253 0.577,1254 1.429,1255 4.263,1257 5.572,1259 7.084,1261 8.681,1263 10.319,1265 5.504,1271 6.822,1272 3.08,1273 10.91,1276 8.794,1280 38.627,1281 98.585,1282 196.545,1283 260.028,1284 306.17,1285 331.189,1286 337.189,1287 50.65,1288 7.824,1289 60.52,1290 60.52,1291 24,1292 12.579,1293 3.807,1294 3,1295 52.115,1296 155,1297 152,1298 0.163,1299 236.881,1300 415.41,1301 569.751,1302 29475,1304 22.501,1305 0.703,1306 0.6,1307 22.501,1308 19.212,1309 15.567,1310 0.445,1311 0.318,1312 10.9,1313 14.715,1314 10.58,1315 8.769,1316 15.567,1317 11.136,1318 13.62,1319 0.284,1320 0.173,1321 13.62,1322 8.283,1323 11.741,1324 0.186,1325 0.099,1326 11.741,1327 6.259,1328 9.407,1329 0.119,1330 0.054,1331 9.407,1332 4.24,1333 7.817,1334 0.077,1335 0.03,1336 7.817,1337 3.073,1338 0.262,1339 99.041,1340 0.206,1341 30.342,1342 0.429,1343 166,1344 470.12,1345 185.184,1346 441.982,1347 605.39,1348 418,1349 194,1350 441.192,1351 214.464,1352 446.681,1353 649.37,1354 416,1355 7.155} {0 CHEMBL108818,1 1.315,2 10.19,3 4.205,4 17.681,5 87.317,6 6.095,7 0.435,8 3.913,9 4.056,10 3.31,11 3.442,12 4.808,13 3.38,14 4.506,15 4.707,16 3.642,17 3.862,18 5.313,19 3.76,20 4.804,21 5.067,22 3.652,23 3.976,24 5.555,25 3.835,26 4.796,27 5.075,28 3.509,29 3.918,30 5.503,31 3.75,32 4.654,33 4.934,34 3.396,35 3.766,36 5.388,37 3.595,38 4.531,39 4.795,40 3.228,41 3.635,42 5.292,43 3.47,44 4.42,45 4.696,46 3.059,47 3.487,48 5.17,49 3.313,50 4.244,51 4.51,52 2.893,53 3.403,54 4.92,55 3.219,56 0.067,57 0.662,58 11.785,59 4.726,60 7.579,61 6.802,62 0.133,63 1.081,64 21.015,65 8.203,66 14.191,67 11.874,68 0.239,69 1.319,70 27.951,71 9.926,72 24.379,73 14.839,74 0.231,75 1.268,76 27.459,77 9.839,78 22.735,79 14.718,80 0.249,81 1.076,82 23.744,83 8.942,84 22.879,85 13.013,86 0.2,87 0.948,88 21.234,89 7.523,90 21.745,91 11.055,92 0.247,93 0.821,94 18.979,95 6.622,96 23.249,97 9.73,98 0.138,99 0.73,100 15.688,101 5.88,102 12.926,103 8.644,104 11,105 31,106 0.228,107 0.543,108 0.755,109 0.866,110 0.881,111 0.881,112 3.103,113 1.082,114 -3.94,115 -3.89,116 -3.69,119 38.3,120 1,121 7,125 1,127 1,140 3,141 2,142 1,150 2,161 1,162 1,163 1,169 9,172 3,176 6,178 9,180 2,182 3,186 6,189 9,191 2,193 2,197 1,199 8,201 1,203 2,206 1,207 1,208 1,210 1,211 8,213 1,215 2,220 1,222 6,224 1,226 1,228 1,229 1,231 2,233 6,235 1,242 1,244 7,254 2,256 6,258 1,259 572,260 14.508,261 14.508,262 14.508,263 14.508,264 14.508,265 13.378,266 12.431,267 8.952,268 14.717,269 11.374,270 11.374,271 11.374,272 11.374,273 11.374,274 9.543,275 11.333,276 4.297,277 11.726,278 4.24,279 2.432,280 1.207,281 0.569,282 0.484,283 0.484,284 3.789,288 1,289 1,290 461,291 3,294 33.048,295 91.434,298 131.501,302 1.628,303 12.371,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 44,315 214,316 4.648,317 3.36,318 6.77,319 4.208,320 3.225,321 4.597,322 0.86,323 11.162,324 3.17,325 3.85,326 2.862,327 5.664,328 3.512,329 2.547,330 3.291,332 7.593,333 2.462,334 3.483,335 2.456,336 5.232,337 3.207,338 2.26,339 2.778,341 6.527,342 2.132,343 3.132,344 2.15,345 4.96,346 2.884,347 1.917,348 2.369,350 5.681,351 1.848,352 3.113,353 1.892,354 4.828,355 2.765,356 1.774,357 2.171,359 5.181,360 1.756,361 2.804,362 1.828,363 3.811,364 2.72,365 1.742,366 1.808,368 3.538,369 1.701,370 2.333,371 1.453,372 3.781,373 2.232,374 1.264,375 1.316,377 2.655,378 1.217,379 2.268,380 1.138,381 3.32,382 2,383 1,384 1.226,386 2.407,387 1,388 1.829,389 0.808,390 3.147,391 1.596,392 0.65,393 0.735,395 1.385,396 0.611,397 1.567,398 0.542,399 2.713,400 1.395,401 0.437,402 0.493,404 0.873,405 0.416,406 1.039,407 0.085,408 2.465,409 0.848,410 -0.11,411 -0.12,413 -0.215,414 -0.105,415 0.739,416 -0.186,417 2.314,418 0.572,419 -0.385,420 -0.421,422 -0.815,423 -0.367,424 0.676,425 -0.502,426 2.227,427 0.322,428 -0.665,429 -0.784,431 -1.706,432 -0.653,433 0.415,434 -0.584,435 2.137,436 0.127,437 -0.829,438 -0.933,440 -2.164,441 -0.788,442 0.234,443 -0.943,444 1.829,446 -1,447 -1.248,449 -2.461,450 -1,451 10.133,452 0.483,453 0.397,454 0.019,455 21.25,456 1.012,457 8.5,458 0.405,459 12.75,460 0.607,461 20.365,462 0.97,463 24.067,464 0.512,465 11.802,466 0.562,467 3.478,468 0.166,469 6.798,470 0.324,471 0.089,473 0.296,479 1.042,480 1.225,481 1.026,482 1.144,483 1.198,484 1.085,485 1.066,486 1.26,487 1.017,488 1.172,489 0.845,490 1.106,491 1.265,492 1.016,493 0.997,494 0.963,495 1.136,496 0.957,497 1.148,498 0.989,499 1.019,500 0.988,501 1.028,502 0.989,503 0.839,504 0.979,505 0.906,506 1.02,507 0.786,508 0.983,509 1.569,510 1.069,511 1.133,512 1.076,513 1.383,514 1.075,515 1.591,516 0.923,517 1.098,518 0.949,519 1.202,520 0.988,521 1.27,522 1.034,523 1.174,524 1.066,525 1.099,526 1.111,527 3.5,528 0.069,529 1.778,530 1.264,531 0.857,532 0.535,533 0.255,534 0.187,535 0.121,536 0.096,537 4557,538 7770,539 2.102,540 55.3,541 9,542 6,545 3,546 2,547 6,550 1.627,551 2,552 3.301,553 0.968,555 1,559 61.796,560 1.315,561 3.122,562 4.348,563 4.985,564 5.07,565 5.07,566 2.784,567 4.107,568 4.352,569 3.443,570 722.957,571 7.44,572 7752.73,574 1,576 1,577 261.066,578 1.268,579 4.338,580 0.152,581 0.008,582 0.057,583 0.042,584 0.034,585 0.024,586 0.014,587 0.012,588 0.009,589 0.009,590 0.363,591 0.83,592 1,593 1.787,594 95.986,595 -0.039,596 0.065,597 0.047,598 0.05,599 -0.103,600 0.059,601 -0.005,602 -0.131,603 0.014,604 -0.064,605 0.074,606 -0.03,607 -0.071,608 0.005,609 0.014,610 0.027,611 -0.032,612 0.028,613 -0.067,615 -0.028,616 -0.014,617 -0.068,618 -0.015,619 0.208,620 -0.024,621 0.073,622 -0.033,623 0.152,625 -0.125,626 -0.096,627 -0.115,628 -0.098,629 -0.15,630 -0.105,631 -0.028,632 0.018,633 -0.078,634 0.004,635 0.012,636 -0.039,637 -0.184,638 -0.042,639 -0.185,640 -0.064,641 -0.174,642 -0.119,643 1.032,644 2.403,645 0.619,646 19.415,647 0.982,648 1.132,649 2.709,650 7.336,651 0.63,652 3.178,653 3.466,654 3.738,655 4.043,656 4.317,657 4.407,658 4.564,659 4.7,660 4.595,661 4.595,662 5.829,663 0.576,664 286.46,665 3.178,666 4.691,667 5.533,668 6.409,669 7.284,670 8.176,671 9.069,672 9.97,673 10.873,674 11.78,675 4.3,676 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 47,716 10,717 1,718 23,720 49,721 18,722 8,723 3,724 3,730 3,731 6,736 1,740 4,743 8,745 8,746 10,761 1,764 26,765 2,766 3,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 2,812 1,819 1,823 1,827 21,828 1,833 8,835 1,837 1,847 2.1,852 1,854 10.5,855 8.333,856 4.75,857 3.326,858 2.109,859 1.301,860 0.982,861 4.737,862 9.107,863 3.367,864 3.937,865 4.55,866 5.205,867 5.765,868 6.127,869 6.547,870 6.923,871 6.857,872 6.956,873 0.857,874 30,875 7.819,877 3.257,878 7.389,879 15.766,881 13.344,883 1.889,884 39.667,885 0.002,887 1,888 270.735,889 75.491,890 49.683,892 11,895 75.491,896 281.735,897 49.683,898 8.825,899 55.231,900 28.429,902 38.787,903 4.901,904 270.735,906 270.735,907 125.174,908 11,911 200.109,912 81.626,915 80.842,916 44.332,919 270.735,920 60.683,921 75.491,924 270.735,925 38.237,926 37.254,927 16.786,928 43.897,929 270.735,930 60.683,931 75.491,933 0.562,934 0.318,935 0.176,936 0.104,937 15,938 6,939 0.122,940 6,941 2,942 1.308,943 3.453,944 156.915,945 0.308,946 13,947 90.239,951 14.768,952 6.737,953 3.368,954 2.513,955 43.897,956 6.396,958 3.537,961 3.756,963 49.683,964 406.909,965 28,975 46.134,976 53.188,977 0.237,978 0.562,979 0.783,980 0.898,981 0.913,982 0.913,983 4.59,984 1,985 5.493,986 2.655,987 4.143,988 4.62,989 0.908,990 6.29,991 4.086,992 5.761,993 0.65,994 7.031,995 2.407,996 3.611,997 4.477,999 7.154,1000 3.526,1001 7.059,1002 0.437,1003 8.674,1004 1.385,1005 5.7,1006 6.855,1007 0.739,1008 10.304,1009 5.595,1010 8.402,1011 -0.11,1012 10.384,1013 0.873,1014 6.043,1015 7.642,1017 12.083,1018 5.917,1019 9.788,1020 -0.385,1021 12.137,1022 -0.215,1023 7.574,1024 9.495,1025 0.593,1026 14.745,1027 7.434,1028 11.206,1029 -0.665,1030 13.923,1031 -0.815,1032 8.356,1033 10.704,1035 16.91,1036 8.201,1037 12.649,1038 -0.829,1039 15.734,1040 -1.706,1041 9.657,1042 12.355,1043 0.469,1044 19.407,1045 9.489,1046 3.225,1047 -1,1048 17.564,1049 -2.164,1050 10.653,1051 13.749,1053 21.727,1054 10.472,1055 2.547,1056 11.162,1057 19.41,1058 -2.461,1059 11.864,1060 15.321,1061 0.366,1062 24.168,1063 11.67,1064 2.26,1065 7.593,1066 21.268,1067 4.597,1068 12.957,1069 16.792,1071 26.546,1072 12.749,1073 1.917,1074 6.527,1075 23.137,1076 3.291,1077 14.137,1078 18.335,1079 0.283,1080 28.967,1081 13.915,1082 1.774,1083 5.681,1084 25.014,1085 2.778,1086 15.272,1087 19.837,1089 31.367,1090 15.035,1091 1.742,1092 5.181,1093 26.898,1094 2.369,1095 16.442,1096 21.369,1097 0.217,1098 33.782,1099 16.19,1100 1.264,1101 3.538,1102 28.787,1103 2.171,1104 17.596,1105 22.884,1107 36.189,1108 17.329,1109 4504,1110 5996,1111 15.603,1112 29.603,1113 33.709,1114 33.952,1115 34.539,1116 33.649,1117 33.634,1118 41.568,1119 1.72,1120 94.004,1121 32.625,1122 5.592,1123 5.36,1124 6.722,1125 5.264,1126 5.225,1127 7.597,1128 1.72,1129 18.171,1130 5.17,1131 8.465,1132 1.466,1133 1.476,1134 1.502,1135 1.463,1136 1.462,1137 1.807,1138 0.075,1139 4.087,1140 1.418,1141 4.163,1142 4.195,1143 4.122,1144 4.079,1145 5.037,1146 4.086,1147 3.757,1148 3.817,1149 3.623,1150 3.623,1151 4.936,1152 3.612,1153 3.695,1154 3.752,1155 3.549,1156 3.582,1157 4.571,1158 3.568,1159 3.453,1160 3.524,1161 3.295,1162 3.265,1163 4.184,1164 3.255,1165 3.287,1166 3.365,1167 3.13,1168 3.104,1169 4.045,1170 3.107,1171 3.092,1172 3.173,1173 2.908,1174 2.948,1175 3.802,1176 2.929,1177 2.996,1178 3.081,1179 2.807,1180 2.793,1181 3.67,1182 2.784,1183 2.874,1184 2.973,1185 2.641,1186 2.683,1187 3.623,1188 2.658,1189 0.202,1190 0.146,1191 0.294,1192 0.183,1193 0.14,1194 4.648,1195 0.2,1196 3.36,1197 0.037,1198 6.77,1199 0.485,1200 4.208,1201 0.138,1202 3.225,1203 4.597,1204 0.86,1205 11.162,1206 3.17,1207 1.948,1208 1.929,1209 2.058,1210 2.033,1211 1.386,1212 2.041,1213 1.829,1214 1.78,1215 2.02,1216 1.992,1217 1.347,1218 1.996,1219 1.749,1220 1.686,1221 1.97,1222 1.914,1223 1.131,1224 1.947,1225 1.449,1226 1.376,1227 1.764,1228 1.672,1229 1.008,1230 1.704,1231 1.255,1232 1.18,1233 1.482,1234 1.519,1235 0.718,1236 1.514,1237 1.124,1238 1.063,1239 1.407,1240 1.314,1241 0.601,1242 1.35,1243 1.024,1244 0.939,1245 1.402,1246 1.302,1247 0.587,1248 1.341,1249 0.871,1250 0.787,1251 1.144,1252 1.146,1253 0.246,1254 1.163,1255 3.85,1257 5.142,1258 2.398,1259 6.635,1260 4.844,1261 8.233,1262 7.05,1263 9.894,1265 2.231,1269 6.119,1271 8.911,1273 5.903,1275 0.301,1280 27.079,1281 61.796,1282 146.753,1283 204.337,1284 234.311,1285 238.311,1286 238.311,1287 29.333,1288 6.999,1289 51.04,1290 51.04,1291 17,1292 12.298,1293 3.459,1294 2.585,1295 32.434,1296 72,1297 93,1298 0.225,1299 167.128,1300 281.31,1301 399.551,1302 9460,1304 14.656,1305 0.698,1306 0.617,1307 14.656,1308 12.952,1309 10.275,1310 0.447,1311 0.361,1312 8.233,1313 10.04,1314 8.033,1315 6.704,1316 10.275,1317 8.295,1318 8.884,1319 0.287,1320 0.2,1321 8.884,1322 6.201,1323 7.338,1324 0.179,1325 0.109,1326 7.338,1327 4.464,1328 6.168,1329 0.11,1330 0.058,1331 6.168,1332 3.232,1333 5.33,1334 0.072,1335 0.032,1336 5.33,1337 2.375,1338 0.355,1339 63.256,1340 0.253,1341 21.107,1342 0.608,1343 108,1344 225.381,1345 114.624,1346 220.974,1347 314.21,1348 210,1349 126,1350 240.342,1351 132.486,1352 243.672,1353 359.7,1354 232,1355 5.959} {0 CHEMBL109360,1 1.413,2 8.714,3 3.832,4 14.687,5 85.277,6 6.41,7 0.455,8 3.861,9 3.997,10 3.291,11 3.349,12 4.879,13 3.303,14 4.422,15 4.637,16 3.658,17 3.744,18 5.379,19 3.681,20 4.635,21 4.822,22 3.675,23 3.894,24 5.664,25 3.788,26 4.885,27 5.174,28 3.486,29 3.821,30 5.781,31 3.678,32 4.463,33 4.708,34 3.469,35 3.666,36 5.387,37 3.556,38 4.439,39 4.639,40 3.421,41 3.707,42 5.404,43 3.587,44 4.59,45 4.867,46 3.293,47 3.678,48 5.446,49 3.507,50 4.393,51 4.66,52 3.117,53 3.484,54 5.258,55 3.323,56 0.037,57 0.623,58 10.743,59 4.249,60 8.393,61 6.075,62 0.26,63 0.976,64 19.337,65 6.729,66 27.404,67 9.958,68 0.137,69 1.154,70 23.793,71 8.961,72 28.566,73 12.688,74 0.505,75 1.18,76 31.537,77 9.534,78 66.628,79 14.038,80 0.231,81 0.932,82 20.031,83 7.241,84 26.179,85 10.508,86 0.156,87 0.958,88 19.487,89 7.245,90 23.594,91 10.433,92 0.302,93 1.003,94 22.766,95 7.794,96 31.394,97 11.767,98 0.163,99 0.813,100 18.591,101 6.529,102 27.854,103 9.664,104 49,105 32,106 0.248,107 0.573,108 0.731,109 0.75,110 0.75,111 0.75,112 3.103,113 0.988,114 -4.01,115 -3.96,116 -3.75,119 37.8,120 3,121 1,123 1,124 2,125 1,140 3,141 2,142 1,149 1,150 1,156 1,169 7,171 1,172 5,176 3,178 7,182 9,186 3,189 4,193 4,199 4,203 4,206 2,211 9,215 2,222 7,225 1,226 2,229 1,231 1,233 4,242 3,244 3,248 1,249 1,259 556,260 13.195,261 13.195,262 13.195,263 13.195,264 13.195,265 11.95,266 15.478,267 7.579,268 13.464,269 10.839,270 10.839,271 10.839,272 10.839,273 10.839,274 8.84,275 17.886,276 3.615,277 11.242,278 4.078,279 2.227,280 1.323,281 1.218,282 1.218,283 1.218,284 3.753,287 1,288 1,289 1,290 367,291 4.123,294 49.265,295 55.398,298 87.665,302 1.51,303 16.034,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 45,315 183,316 4.555,317 4.017,318 7.058,319 4.29,320 3.295,321 4.504,322 2.443,323 11.37,324 3.274,325 4.379,326 3.177,327 6.547,328 4.073,329 3.088,330 3.537,331 0.8,332 10.36,333 3.042,334 3.693,335 2.725,336 5.349,337 3.326,338 2.378,339 3.081,340 0.286,341 6.977,342 2.251,343 3.377,344 2.566,345 5.117,346 3.129,347 2.208,348 2.679,350 6.009,351 2.031,352 3.146,353 2.389,354 4.624,355 2.854,356 1.892,357 2.182,359 5.024,360 1.809,361 2.81,362 2.063,363 4.281,364 2.39,365 1.399,366 1.856,368 3.811,369 1.363,370 2.688,371 1.321,372 4.103,373 2.222,374 1.233,375 1.69,377 3.323,378 1.215,379 2.214,380 0.998,381 3.292,382 1.785,383 0.827,384 1.102,386 1.896,387 0.789,388 1.603,389 0.712,390 2.929,391 1.367,392 0.395,393 0.467,395 0.913,396 0.382,397 1.168,398 0.405,399 2.834,400 0.759,401 -0.198,402 -0.252,404 -0.51,405 -0.186,406 0.637,407 -0.228,408 2.302,409 0.212,410 -0.758,411 -0.91,413 -1.966,414 -0.727,415 0.595,416 -0.573,417 2,418 0.136,419 -0.858,420 -1,422 -2,423 -0.85,424 0.141,425 -0.6,426 2,428 -1,429 -1,431 -2.625,432 -0.9,434 -0.87,435 2,437 -1,438 -1,440 -3,441 -1,443 -1,444 2,445 -0.1,446 -1,447 -1.264,449 -3,450 -1,451 9.967,452 0.475,453 0.816,454 0.039,455 23,456 1.095,457 10,458 0.476,459 13,460 0.619,461 19.38,462 0.923,463 24.233,464 0.539,465 16.108,466 0.767,467 4.374,468 0.208,469 5.396,470 0.257,471 0.284,472 0.05,473 0.291,479 0.802,480 1.498,481 0.942,482 1.291,483 0.666,484 1.152,485 0.815,486 0.871,487 0.789,488 0.795,489 0.471,490 0.769,491 1.08,492 1.49,493 1.213,494 1.512,495 0.887,496 1.401,497 1.778,498 0.66,499 0.981,500 0.634,501 1.818,502 0.706,503 0.784,504 0.937,505 0.849,506 0.96,507 0.906,508 0.92,509 1.105,510 1.37,511 1.233,512 1.334,513 0.995,514 1.311,515 0.707,516 0.983,517 1.006,518 1.034,519 0.705,520 1.05,521 0.935,522 1.144,523 1.003,524 1.114,525 1.231,526 1.08,527 6.5,528 0.099,529 2.889,530 1.229,531 1.133,532 0.677,533 0.585,534 0.493,535 0.233,536 0.1,537 3865,538 8532,539 1.904,540 53.3,541 9,542 11,543 1,545 1,547 2,550 1.632,551 1.714,552 3.119,553 -0.338,555 1,557 1,559 63.607,560 1.413,561 3.265,562 4.169,563 4.274,564 4.274,565 4.274,566 2.489,567 4.071,568 4.361,569 3.292,570 691.302,571 7.476,572 7415.76,574 1,576 1,577 247.133,578 1.772,579 4.266,580 0.295,581 0.014,582 0.09,583 0.042,584 0.047,585 0.027,586 0.025,587 0.026,588 0.015,589 0.014,590 0.597,591 0.67,592 1,593 1.695,594 95.057,596 -0.206,597 0.049,598 -0.098,599 -0.067,600 -0.03,601 0.143,602 0.277,603 0.215,604 0.252,605 0.191,606 0.255,607 -0.046,608 -0.381,609 -0.222,610 -0.413,611 0.027,612 -0.349,613 -0.215,614 0.19,615 0.057,616 0.257,617 -0.173,618 0.198,619 0.128,620 0.096,621 0.128,622 0.061,623 0.06,624 0.088,625 -0.133,626 -0.265,627 -0.25,628 -0.25,629 -0.136,630 -0.267,631 0.106,632 0.004,633 -0.047,634 -0.067,635 0.048,636 -0.075,637 -0.032,638 -0.188,639 -0.04,640 -0.123,641 -0.056,642 -0.091,643 1.882,644 4.972,645 0.429,646 17.401,647 0.991,648 1.133,649 2.781,650 7.735,651 0.629,652 3.135,653 3.497,654 3.638,655 3.807,656 4.025,657 4.094,658 4.234,659 4.369,660 4.174,661 4.06,662 5.432,663 0.584,664 288.43,665 3.135,666 4.691,667 5.509,668 6.392,669 7.242,670 8.125,671 8.989,672 9.873,673 10.745,674 11.63,675 4.4,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 45,716 11,717 1,718 22,720 46,721 17,722 8,723 3,724 3,730 2,731 3,736 3,737 1,743 1,745 9,746 8,750 1,755 1,759 1,761 1,764 24,765 3,766 1,767 4,773 2,777 0.5,778 2,788 1,792 1,793 1,796 1,808 1,815 1,819 1,823 5,827 21,833 2,835 1,838 1,839 1,847 4.4,850 1,852 1,854 12.25,855 9.617,856 4.472,857 2.611,858 2.15,859 1.332,860 0.917,861 4.621,862 8.633,863 3.367,864 3.975,865 4.507,866 5.07,867 5.583,868 5.93,869 6.351,870 6.732,871 6.582,872 6.652,873 0.833,874 29,875 7.777,877 3.172,878 7.671,879 15.016,881 11.963,883 2.171,884 45.583,885 0.001,887 1,888 270.735,889 105.722,890 19.91,892 36.145,895 105.722,896 306.88,897 19.91,898 43.268,899 4.64,900 37.476,901 32.336,902 41.912,903 13.915,904 258.964,906 270.735,907 125.632,908 36.145,911 247.193,912 59.687,915 51.026,916 74.606,919 270.735,920 56.055,921 105.722,924 270.735,925 24.978,926 83.869,927 16.786,928 36.145,929 270.735,930 56.055,931 105.722,933 0.6,934 0.313,935 0.138,936 0.082,937 15,938 8,939 0.13,940 6,941 1,942 1.222,943 3.207,944 152.977,945 0.222,946 9,947 85.484,951 15.9,952 6.103,953 4.006,954 2.19,955 39.269,956 7.766,958 3.264,961 1.848,963 16.786,964 432.512,965 28,970 11.972,974 -0.216,975 44.578,976 50.983,977 0.257,978 0.594,979 0.759,980 0.778,981 0.778,982 0.778,983 4.63,984 0.827,985 5.572,986 3.323,987 4.174,988 4.659,989 2.485,990 6.418,991 4.112,992 5.877,993 0.395,994 7.175,995 1.896,996 4.111,997 4.705,998 2.283,999 7.653,1000 4.049,1001 7.216,1002 -0.198,1003 8.891,1004 0.913,1005 5.878,1006 6.906,1007 3.851,1008 10.6,1009 5.781,1010 8.592,1011 -0.758,1012 10.673,1013 -0.51,1014 6.553,1015 7.73,1016 4.273,1017 12.592,1018 6.471,1019 9.998,1020 -0.858,1021 12.496,1022 -1.966,1023 7.916,1024 9.505,1025 5.487,1026 15.165,1027 7.811,1028 11.426,1029 -1,1030 14.349,1031 -2,1032 8.885,1033 10.687,1034 6.159,1035 17.422,1036 8.793,1037 12.871,1038 -1,1039 16.223,1040 -2.625,1041 10.118,1042 12.296,1043 7.208,1044 19.882,1045 10.011,1046 3.295,1047 -1,1048 18.112,1049 -3,1050 11.207,1051 13.648,1052 7.992,1053 22.234,1054 11.105,1055 3.088,1056 11.37,1057 20.012,1058 -3,1059 12.396,1060 15.19,1061 8.963,1062 24.659,1063 12.285,1064 2.378,1065 10.36,1066 21.921,1067 4.504,1068 13.534,1069 16.622,1070 9.802,1071 27.046,1072 13.423,1073 2.208,1074 6.977,1075 23.837,1076 3.537,1077 14.71,1078 18.138,1079 10.734,1080 29.461,1081 14.592,1082 1.892,1083 6.009,1084 25.759,1085 3.081,1086 15.869,1087 19.608,1088 11.599,1089 31.864,1090 15.747,1091 1.399,1092 5.024,1093 27.684,1094 2.679,1095 17.043,1096 21.115,1097 12.512,1098 34.277,1099 16.915,1100 1.233,1101 3.811,1102 29.613,1103 2.182,1104 18.211,1105 22.602,1106 13.391,1107 36.686,1108 18.078,1109 4057,1110 6134,1111 13.523,1112 28.296,1113 34.018,1114 34.675,1115 34.24,1116 33.442,1117 33.429,1118 42.195,1119 7.058,1120 99.365,1121 32.311,1122 5.401,1123 6.017,1124 6.442,1125 5.353,1126 5.295,1127 7.504,1128 4.174,1129 18.213,1130 5.274,1131 13.956,1132 1.546,1133 1.576,1134 1.556,1135 1.52,1136 1.52,1137 1.918,1138 0.321,1139 4.517,1140 1.469,1141 4.132,1142 4.163,1143 4.091,1144 4.045,1145 7.432,1146 4.052,1147 3.78,1148 3.818,1149 3.685,1150 3.639,1151 4.983,1152 3.639,1153 3.655,1154 3.74,1155 3.511,1156 3.469,1157 4.51,1158 3.468,1159 3.421,1160 3.472,1161 3.314,1162 3.245,1163 4.317,1164 3.253,1165 3.148,1166 3.232,1167 2.982,1168 2.931,1169 4.228,1170 2.933,1171 2.954,1172 3.009,1173 2.82,1174 2.739,1175 3.897,1176 2.723,1177 2.874,1178 3.009,1179 2.67,1180 2.618,1181 3.704,1182 2.626,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.488,1188 2.57,1189 0.207,1190 0.183,1191 0.321,1192 0.195,1193 0.15,1194 4.555,1195 0.205,1196 4.017,1197 0.111,1198 7.058,1199 0.517,1200 4.29,1201 0.149,1202 3.295,1203 4.504,1204 2.443,1205 11.37,1206 3.274,1207 1.938,1208 1.92,1209 2.027,1210 2.032,1211 1.25,1212 2.029,1213 1.745,1214 1.701,1215 1.969,1216 1.912,1217 1.172,1218 1.93,1219 1.683,1220 1.619,1221 1.897,1222 1.892,1223 1.061,1224 1.902,1225 1.45,1226 1.367,1227 1.692,1228 1.691,1229 0.784,1230 1.695,1231 1.137,1232 1.072,1233 1.42,1234 1.404,1235 0.509,1236 1.413,1237 0.934,1238 0.859,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.417,1252 1.239,1253 0.469,1254 1.308,1255 3.807,1257 5.153,1258 2.398,1259 6.663,1260 4.727,1261 8.248,1262 6.823,1263 9.877,1265 9.683,1271 1.947,1273 5.474,1276 2.155,1277 -0.499,1280 26.267,1281 63.607,1282 146.913,1283 187.585,1284 192.339,1285 192.339,1286 192.339,1287 40.532,1288 6.483,1289 45.33,1290 45.33,1291 11,1292 12.165,1293 3.585,1294 2.807,1295 39.27,1296 68,1297 64,1298 0.293,1299 165.998,1300 282.52,1301 396.794,1302 4633,1304 15.621,1305 0.744,1306 0.642,1307 15.621,1308 13.487,1309 9.77,1310 0.444,1311 0.329,1312 7.142,1313 9.398,1314 6.708,1315 5.733,1316 9.77,1317 7.242,1318 9.914,1319 0.31,1320 0.21,1321 9.914,1322 6.714,1323 6.951,1324 0.188,1325 0.092,1326 6.951,1327 3.39,1328 4.911,1329 0.112,1330 0.046,1331 4.911,1332 2.032,1333 4.096,1334 0.074,1335 0.026,1336 4.096,1337 1.452,1338 0.454,1339 61.249,1340 0.272,1341 20.763,1342 0.82,1343 108,1344 287.449,1345 117.668,1346 278.032,1347 375.66,1348 258,1349 123,1350 275.289,1351 133.475,1352 284.352,1353 408.27,1354 261,1355 6.959} {0 CHEMBL109839,1 1.251,2 13.958,3 6.056,4 36.679,5 102.916,6 5.699,7 0.4,8 4.088,9 4.24,10 3.403,11 3.592,12 4.956,13 3.511,14 4.675,15 4.896,16 3.642,17 3.976,18 5.431,19 3.84,20 4.96,21 5.25,22 3.633,23 4.072,24 5.615,25 3.891,26 4.926,27 5.214,28 3.558,29 4.032,30 5.583,31 3.841,32 4.896,33 5.195,34 3.476,35 3.952,36 5.568,37 3.749,38 4.827,39 5.125,40 3.335,41 3.868,42 5.473,43 3.663,44 4.735,45 5.032,46 3.247,47 3.793,48 5.391,49 3.58,50 4.669,51 4.974,52 3.124,53 3.718,54 5.259,55 3.497,56 0.084,57 0.786,58 14.684,59 5.908,60 9.519,61 8.575,62 0.164,63 1.231,64 24.975,65 9.803,66 17.569,67 14.287,68 0.234,69 1.431,70 31.268,71 11.88,72 24.545,73 17.502,74 0.223,75 1.389,76 30.281,77 11.432,78 23.191,79 16.929,80 0.294,81 1.307,82 29.24,83 10.924,84 27.177,85 16.117,86 0.236,87 1.198,88 27.163,89 9.928,90 23.106,91 14.732,92 0.249,93 1.102,94 24.759,95 9.274,96 24.278,97 13.698,98 0.181,99 1.024,100 22.863,101 8.673,102 16.537,103 12.819,104 22,105 30,106 0.208,107 0.475,108 0.654,109 0.742,110 0.808,111 0.861,112 3.226,113 1.173,114 -5.93,115 -5.78,116 -5.38,119 36.2,120 1,121 10,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 13,172 3,176 4,178 12,180 1,182 3,186 4,189 11,191 1,193 2,197 1,199 10,201 1,203 2,206 1,207 1,208 1,210 1,211 10,213 1,215 1,220 1,222 9,224 1,226 1,228 1,229 1,231 2,233 9,235 1,237 1,242 1,244 8,249 1,254 2,256 7,258 1,259 954,260 16.811,261 16.811,262 16.811,263 16.811,264 16.811,265 15.682,266 8.779,267 10.985,268 17.021,269 12.346,270 12.346,271 12.346,272 12.346,273 12.346,274 10.58,275 7.285,276 5.199,277 12.681,278 4.607,279 3.007,280 1.935,281 1.408,282 1.013,283 0.694,284 3.9,289 1,290 690,291 3.873,294 64.299,295 71.71,298 113.04,302 2.132,303 11.057,306 0.75,307 0.67,308 0.83,309 1,310 1,311 0.83,312 0.5,313 0.8,314 50,315 335,316 4.55,317 3.186,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 3.715,326 2.774,327 5.317,328 3.327,329 2.387,330 3.129,332 6.863,333 2.242,334 3.346,335 2.172,336 5.096,337 2.957,338 1.982,339 2.675,341 5.914,342 1.936,343 2.933,344 1.936,345 4.159,346 2.916,347 1.922,348 1.937,350 3.854,351 1.897,352 2.768,353 1.775,354 3.928,355 2.717,356 1.723,357 1.855,359 3.551,360 1.712,361 2.717,362 1.531,363 3.727,364 2.408,365 1.426,366 1.733,368 3.382,369 1.397,370 2.448,371 1.39,372 3.438,373 2.3,374 1.318,375 1.446,377 2.764,378 1.293,379 2.318,380 1.207,381 3.316,382 2.05,383 1.095,384 1.282,386 2.142,387 1.041,388 2.068,389 1.108,390 3.081,391 1.971,392 1,393 1.05,395 1.908,396 0.967,397 1.947,398 0.785,399 3,400 1.64,401 0.68,402 0.836,404 1.338,405 0.65,406 1.604,407 0.648,408 2.674,409 1.494,410 0.529,411 0.569,413 1,414 0.508,415 1.19,416 0.226,417 2.332,418 1.082,419 0.117,420 0.122,422 0.215,423 0.113,424 0.914,425 -0.036,426 2.145,427 0.716,428 -0.249,429 -0.273,431 -0.462,432 -0.239,433 0.683,434 -0.305,435 2,436 0.509,437 -0.454,438 -0.489,440 -0.8,441 -0.437,442 0.584,443 -0.544,444 1.877,445 0.265,446 -0.709,447 -0.785,449 -1.42,450 -0.683,451 11.633,452 0.485,453 0.239,454 0.01,455 22.25,456 0.927,457 8.5,458 0.354,459 13.75,460 0.573,461 24.939,462 1.039,463 28.567,464 0.493,465 12.098,466 0.504,467 3.521,468 0.147,469 8.326,470 0.347,471 0.077,473 0.172,479 1.072,480 1.332,481 1.137,482 1.263,483 1.18,484 1.208,485 1.141,486 1.269,487 1.15,488 1.248,489 0.923,490 1.209,491 1.081,492 0.962,493 0.919,494 0.949,495 0.837,496 0.93,497 1.048,498 1.053,499 0.998,500 1.046,501 0.83,502 1.025,503 0.887,504 0.999,505 0.955,506 1.031,507 0.83,508 1.007,509 1.415,510 0.967,511 1.04,512 0.971,513 1.18,514 0.983,515 1.097,516 0.99,517 1.037,518 1.02,519 0.907,520 1.029,521 1.118,522 0.96,523 1.016,524 0.984,525 0.95,526 0.997,527 2.5,528 0.057,529 1.556,530 0.854,531 0.653,532 0.396,533 0.217,534 0.143,535 0.089,536 0.07,537 7434,538 12104,539 2.02,540 58.6,541 19,542 7,543 1,545 3,547 4,550 1.658,551 1.946,552 3.731,553 0.874,559 72.55,560 1.251,561 2.851,562 3.923,563 4.45,564 4.845,565 5.164,566 3.241,567 4.168,568 4.548,569 3.91,570 1079.14,571 7.797,572 14291.8,577 339.763,578 1.041,579 4.543,580 0.1,581 0.004,582 0.052,583 0.029,584 0.025,585 0.017,586 0.011,587 0.008,588 0.006,589 0.005,590 0.257,591 0.5,592 0.75,593 2.807,594 120.104,595 -0.021,596 0.022,597 0.027,598 0.011,599 -0.036,600 0.024,601 -0.04,602 -0.114,603 -0.075,604 -0.11,605 0.034,606 -0.097,608 0.018,609 0.073,610 0.053,611 0.068,612 0.066,613 -0.011,614 -0.06,615 -0.005,616 -0.04,617 0.024,618 -0.025,619 0.181,620 -0.034,621 0.028,622 -0.054,623 0.147,624 -0.03,625 -0.095,626 -0.018,627 -0.042,628 -0.007,629 -0.077,630 -0.02,631 0.053,632 -0.031,633 -0.05,634 -0.042,635 0.075,636 -0.054,637 -0.074,638 -0.016,639 -0.047,640 -0.012,641 -0.085,642 -0.027,643 0.823,644 2.431,645 0.375,646 28.396,647 0.977,648 1.135,649 4.695,650 22.047,651 0.615,652 3.258,653 3.434,654 3.638,655 3.85,656 3.989,657 4.025,658 4.078,659 4.094,660 3.951,661 3.892,662 7.921,663 0.555,664 330.57,665 3.258,666 4.71,667 5.501,668 6.319,669 7.144,670 7.984,671 8.83,672 9.684,673 10.543,674 11.407,675 3.4,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 58,716 10,717 1,718 25,720 59,721 21,722 8,723 3,724 3,730 2,731 3,736 2,743 10,745 8,746 13,764 34,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 24,828 1,833 12,835 1,847 1.7,852 1,854 12.333,855 10.083,856 5.806,857 4.215,858 2.032,859 1.305,860 0.943,861 9.113,862 8.692,863 3.434,864 3.897,865 4.462,866 5.057,867 5.532,868 5.839,869 6.178,870 6.475,871 6.202,872 6.153,873 1,874 29,875 8.929,877 3.511,878 7.361,879 18.099,881 14.511,883 1.861,884 44.667,885 0.001,888 364.904,889 91.491,890 49.683,892 11,895 91.491,896 375.904,897 49.683,898 8.825,899 64.941,900 37.476,902 38.787,903 13.915,904 353.133,906 364.904,907 141.174,908 11,911 317.82,912 58.084,915 90.551,916 50.622,919 364.904,920 60.683,921 91.491,924 364.904,925 45.19,926 46.301,927 16.786,928 43.897,929 364.904,930 60.683,931 91.491,933 0.529,934 0.296,935 0.163,936 0.088,937 10,938 4,939 0.22,940 13,941 1,942 1.222,943 3.901,944 164.052,945 0.222,946 9,947 110.039,951 19.173,952 11.407,953 6.711,954 2.402,955 43.897,956 8.353,958 3.298,961 2.251,963 49.683,964 517.078,965 30,975 56.669,976 65.849,977 0.214,978 0.487,979 0.67,980 0.76,981 0.827,982 0.881,983 4.59,984 1.095,985 5.389,986 2.764,987 4.111,988 4.58,989 0.908,990 6.08,991 4.059,992 5.7,993 1,994 6.855,995 2.142,996 3.219,997 4.227,999 6.783,1000 3.144,1001 6.949,1002 0.68,1003 8.438,1004 1.908,1005 5.549,1006 6.745,1007 0.739,1008 9.936,1009 5.451,1010 8.253,1011 0.529,1012 10.1,1013 1.338,1014 5.673,1015 7.453,1017 11.652,1018 5.555,1019 9.611,1020 0.117,1021 11.818,1022 1,1023 7.314,1024 9.351,1025 0.593,1026 14.261,1027 7.179,1028 11.006,1029 -0.249,1030 13.576,1031 0.215,1032 7.967,1033 10.518,1035 16.363,1036 7.819,1037 12.431,1038 -0.454,1039 15.364,1040 -0.462,1041 9.302,1042 12.18,1043 0.469,1044 18.796,1045 9.139,1046 3.092,1047 -0.709,1048 17.172,1049 -0.8,1050 10.217,1051 13.543,1053 21.044,1054 10.043,1055 2.387,1056 10.36,1057 18.997,1058 -1.42,1059 11.424,1060 15.11,1061 0.366,1062 23.417,1063 11.236,1064 1.982,1065 6.863,1066 20.833,1067 4.504,1068 12.458,1069 16.555,1071 25.72,1072 12.26,1073 1.922,1074 5.914,1075 22.678,1076 3.129,1077 13.614,1078 18.086,1079 0.283,1080 28.07,1081 13.403,1082 1.723,1083 3.854,1084 24.531,1085 2.675,1086 14.702,1087 19.565,1089 30.395,1090 14.478,1091 1.426,1092 3.551,1093 26.389,1094 1.937,1095 15.839,1096 21.081,1097 0.217,1098 32.738,1099 15.601,1100 1.318,1101 3.382,1102 28.251,1103 1.855,1104 16.949,1105 22.575,1107 35.07,1108 16.698,1109 7527,1110 9838,1111 16.871,1112 35.648,1113 34.429,1114 34.785,1115 35.768,1116 34.547,1117 34.545,1118 42.275,1119 1.72,1120 86.582,1121 33.596,1122 5.506,1123 5.186,1124 6.53,1125 5.135,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 9.726,1132 1.377,1133 1.391,1134 1.431,1135 1.382,1136 1.382,1137 1.691,1138 0.069,1139 3.463,1140 1.344,1141 4.131,1142 4.163,1143 4.088,1144 4.044,1145 5.037,1146 4.051,1147 3.815,1148 3.88,1149 3.649,1150 3.695,1151 4.958,1152 3.675,1153 3.679,1154 3.744,1155 3.52,1156 3.54,1157 4.583,1158 3.523,1159 3.564,1160 3.63,1161 3.423,1162 3.422,1163 4.233,1164 3.416,1165 3.476,1166 3.557,1167 3.287,1168 3.314,1169 4.11,1170 3.293,1171 3.336,1172 3.411,1173 3.177,1174 3.12,1175 4,1176 3.126,1177 3.193,1178 3.282,1179 2.97,1180 3.015,1181 3.825,1182 2.991,1183 2.967,1184 3.052,1185 2.809,1186 2.799,1187 3.731,1188 2.792,1189 0.182,1190 0.127,1191 0.262,1192 0.163,1193 0.124,1194 4.55,1195 0.18,1196 3.186,1197 0.034,1198 6.546,1199 0.414,1200 4.076,1201 0.122,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.071,1210 2.03,1211 1.429,1212 2.032,1213 1.818,1214 1.757,1215 2.023,1216 1.97,1217 1.298,1218 2.003,1219 1.694,1220 1.63,1221 1.962,1222 1.865,1223 1.224,1224 1.902,1225 1.648,1226 1.589,1227 1.852,1228 1.845,1229 1.097,1230 1.853,1231 1.499,1232 1.427,1233 1.801,1234 1.702,1235 1.012,1236 1.738,1237 1.293,1238 1.211,1239 1.6,1240 1.573,1241 0.855,1242 1.573,1243 1.242,1244 1.155,1245 1.521,1246 1.479,1247 0.608,1248 1.518,1249 1.011,1250 0.943,1251 1.377,1252 1.268,1253 0.555,1254 1.304,1255 3.932,1257 5.142,1258 2.398,1259 6.541,1260 4.727,1261 8.049,1262 6.823,1263 9.629,1265 2.271,1269 5.676,1271 14.486,1273 5.931,1280 32.186,1281 72.55,1282 165.342,1283 227.543,1284 258.095,1285 281.034,1286 299.498,1287 43.277,1288 6.661,1289 51.04,1290 51.04,1291 11,1292 11.957,1293 3.459,1294 2.585,1295 49.186,1296 113,1297 132,1298 0.206,1299 203.298,1300 345.57,1301 487.807,1302 7031,1304 17.037,1305 0.71,1306 0.637,1307 17.037,1308 15.28,1309 11.847,1310 0.474,1311 0.391,1312 9.712,1313 11.597,1314 9.485,1315 8.009,1316 11.847,1317 9.777,1318 9.2,1319 0.307,1320 0.225,1321 9.2,1322 6.737,1323 7.296,1324 0.197,1325 0.126,1326 7.296,1327 4.669,1328 5.849,1329 0.127,1330 0.07,1331 5.849,1332 3.212,1333 4.457,1334 0.084,1335 0.04,1336 4.457,1337 2.095,1338 0.345,1339 72.797,1340 0.243,1341 24.709,1342 0.51,1343 110,1344 225.381,1345 115.958,1346 220.899,1347 308.88,1348 210,1349 122,1350 228.849,1351 127.82,1352 232.489,1353 337.75,1354 221,1355 7.161} {0 CHEMBL110317,1 1.468,2 6.267,3 1.291,4 1.665,5 60.775,6 6.975,7 0.625,8 3.448,9 3.585,10 2.947,11 3.007,12 4.558,13 2.97,14 3.946,15 4.13,16 3.271,17 3.388,18 4.989,19 3.323,20 4.154,21 4.365,22 3.266,23 3.465,24 5.219,25 3.373,26 4.149,27 4.37,28 3.122,29 3.403,30 5.167,31 3.282,32 4.103,33 4.376,34 2.908,35 3.211,36 5.048,37 3.061,38 3.88,39 4.146,40 2.711,41 2.951,42 4.931,43 2.814,44 3.689,45 3.96,46 2.099,47 2.62,48 4.713,49 2.429,50 3.4,51 3.75,52 1.592,53 2.109,54 4.464,55 1.85,56 0.035,57 0.419,58 6.324,59 2.587,60 6.702,61 3.589,62 0.057,63 0.646,64 10.941,65 4.448,66 10.769,67 6.237,68 0.122,69 0.737,70 14.121,71 5.369,72 25.687,73 7.509,74 0.109,75 0.726,76 14.092,77 5.266,78 21.1,79 7.502,80 0.133,81 0.654,82 14.002,83 4.93,84 20.398,85 7.253,86 0.136,87 0.516,88 11.215,89 3.68,90 19.856,91 5.519,92 0.136,93 0.392,94 9.568,95 2.874,96 26.279,97 4.205,98 0.146,99 0.255,100 7.544,101 2.205,102 30.649,103 3.415,104 15,105 22,106 0.284,107 0.692,108 0.836,109 0.868,110 0.868,111 0.868,112 2.796,113 0.943,114 -2.72,115 -2.74,116 -2.66,119 41.4,120 1,121 1,125 1,140 3,141 3,149 1,150 1,155 1,161 1,162 1,163 1,169 6,172 2,176 4,178 7,180 1,182 2,186 4,189 7,191 1,193 2,197 2,199 5,201 1,203 1,207 1,208 1,210 1,211 2,213 1,215 1,218 1,220 3,222 1,224 2,231 1,235 1,239 1,240 1,242 1,246 1,259 210,260 10.077,261 10.077,262 10.077,263 10.077,264 10.077,265 8.803,266 5.816,267 5.995,268 10.105,269 7.848,270 7.848,271 7.848,272 7.848,273 7.848,274 5.86,275 3.312,276 2.732,277 7.896,278 3.39,279 1.281,280 0.535,281 0.371,282 0.371,283 0.371,284 3.44,288 1,289 1,290 191,291 2.646,294 29.378,295 33.706,298 53.12,302 0.987,303 12.89,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 32,315 94,316 4.562,317 3.551,318 6.558,319 4.098,320 3.107,321 4.512,322 1.277,323 10.396,324 3.081,325 3.98,326 3.127,327 5.87,328 3.637,329 2.616,330 3.425,332 7.998,333 2.664,334 3.378,335 2.248,336 5.122,337 2.99,338 2.002,339 2.71,341 5.963,342 1.976,343 2.901,344 1.861,345 4.202,346 2.389,347 1.39,348 2.019,350 3.66,351 1.382,352 2.665,353 1.387,354 3.772,355 2.255,356 1.249,357 1.69,359 2.858,360 1.252,361 2.285,362 1.134,363 3.299,364 1.971,365 1,366 1.227,368 1.992,369 0.967,370 1.942,371 0.72,372 3.017,373 1.541,374 0.577,375 0.775,377 1.202,378 0.554,379 0.954,380 0.32,381 2.331,382 0.62,383 -0.344,384 -0.404,386 -0.622,387 -0.33,388 0.672,389 -0.099,390 2,391 0.248,392 -0.745,393 -0.958,395 -1.731,396 -0.735,397 0.482,398 -0.666,399 2,400 0.098,401 -0.934,402 -1.312,404 -2,405 -0.919,406 0.367,407 -0.905,408 1.699,409 0.046,410 -1,411 -1.382,413 -2.674,414 -1.093,415 -0.085,416 -1.295,417 1.366,418 -0.479,419 -1.446,420 -1.746,422 -3.915,423 -1.395,424 -0.306,425 -1.567,426 1,427 -0.646,428 -1.649,429 -2.174,431 -4.916,432 -1.654,433 -0.5,434 -1.734,435 0.857,436 -0.889,437 -1.882,438 -2.531,440 -5.382,441 -1.842,442 -0.581,443 -1.923,444 0.674,445 -0.98,446 -1.941,447 -2.852,449 -6.173,450 -1.909,451 7.133,452 0.476,453 0.366,454 0.024,455 18.5,456 1.233,457 9.5,458 0.633,459 9,460 0.6,461 9.878,462 0.659,463 16.267,464 0.561,465 11.227,466 0.748,467 3.753,468 0.25,469 3.467,470 0.231,471 0.173,473 0.35,479 0.83,480 1.072,481 0.886,482 0.946,483 0.728,484 0.912,485 0.707,486 1.041,487 0.831,488 0.98,489 0.612,490 0.924,491 1.078,492 1.01,493 0.989,494 0.997,495 1.072,496 0.989,497 0.99,498 1.181,499 1.141,500 1.205,501 0.919,502 1.195,503 0.755,504 1.015,505 0.944,506 1.051,507 0.763,508 1.027,509 0.832,510 1.119,511 1.005,512 1.124,513 0.852,514 1.086,515 1.766,516 1.103,517 1.424,518 1.156,519 1.851,520 1.24,521 0.977,522 0.658,523 0.815,524 0.683,525 1.123,526 0.734,527 3,529 2,530 0.979,531 0.693,532 0.549,533 0.253,534 0.09,537 1435,538 3850,539 1.993,540 48.3,542 5,543 1,545 3,546 3,547 2,550 1.534,551 1.837,552 2.698,553 1.247,557 1,559 42.559,560 1.468,561 3.577,562 4.323,563 4.487,564 4.487,565 4.487,566 2.182,567 3.374,568 3.875,569 2.76,570 289.838,571 6.513,572 2344.58,574 1,577 140.881,578 1.506,579 3.82,580 0.188,582 0.091,583 0.047,584 0.041,585 0.042,586 0.025,587 0.023,590 0.456,591 1,592 1,593 1.373,594 57.741,595 -0.114,596 0.138,598 0.115,599 -0.114,600 0.084,601 -0.021,602 0.048,603 0.072,604 0.066,605 0.01,606 0.083,607 -0.114,608 -0.004,609 -0.047,610 0.014,611 -0.071,612 -0.005,613 -0.111,614 -0.181,615 -0.206,616 -0.212,617 -0.082,618 -0.22,619 0.068,620 -0.088,621 0.019,622 -0.099,623 0.021,624 -0.057,625 0.158,626 -0.176,627 -0.024,628 -0.199,629 0.094,630 -0.142,631 -0.307,632 -0.216,633 -0.399,634 -0.267,635 -0.291,636 -0.337,637 0.254,638 0.083,639 0.244,640 0.183,641 0.262,642 0.201,643 1.572,644 4.245,645 0.6,646 8.267,647 0.994,648 1.127,649 1.493,650 2.229,651 0.656,652 2.833,653 3.135,654 3.401,655 3.638,656 3.807,657 3.871,658 3.85,659 3.714,660 3.332,661 2.944,662 3.872,663 0.618,664 202.28,665 2.833,666 4.344,667 5.187,668 6.061,669 6.934,670 7.817,671 8.699,672 9.585,673 10.469,674 11.356,675 6.9,676 1,683 1,687 2,688 4,690 1,693 2,695 10,700 1,714 29,716 11,717 1,718 16,720 30,721 12,722 8,723 3,724 3,725 1,730 2,731 3,736 2,743 1,745 9,746 3,750 1,755 1,759 1,761 1,764 14,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 15,828 1,833 2,847 3.4,850 1,854 8.167,855 5.333,856 3.417,857 1.694,858 2.208,859 1.377,860 0.995,861 2.67,862 8.063,863 3.135,864 3.767,865 4.414,866 5.038,867 5.551,868 5.93,869 6.269,870 6.494,871 6.217,872 5.983,873 1,874 21,875 5.521,876 -0.001,877 2.284,878 7.822,879 10.552,881 8.524,883 2.322,884 34.833,885 0.004,888 129.482,889 67.163,890 49.683,892 25.145,895 67.163,896 154.627,897 49.683,898 8.825,899 37.537,900 37.476,901 30.278,902 25.73,903 13.915,904 117.711,906 129.482,907 116.846,908 25.145,911 105.94,912 48.687,915 63.148,916 53.698,919 129.482,920 74.828,921 67.163,924 129.482,925 20.862,926 46.301,927 16.786,928 58.042,929 129.482,930 74.828,931 67.163,933 0.572,934 0.337,935 0.182,936 0.102,937 11,938 5,939 0.1,940 3,941 1,942 1.222,943 2.683,944 96.996,945 0.222,946 9,947 58.603,951 10.089,952 3.97,953 1.843,954 2.164,955 58.042,956 7.667,958 3.172,961 1.927,963 49.683,964 271.473,965 22,970 11.245,974 0.094,975 28.833,976 32.697,977 0.302,978 0.736,979 0.89,980 0.924,981 0.924,982 0.924,983 4.337,984 -0.344,985 5.176,986 1.202,987 3.807,988 4.449,989 1.45,990 5.994,991 3.798,992 5.564,993 -0.745,994 6.744,995 -0.622,996 3.434,997 4.388,999 6.94,1000 3.453,1001 6.887,1002 -0.934,1003 8.416,1004 -1.731,1005 5.398,1006 6.759,1007 1.845,1008 10.019,1009 5.386,1010 8.255,1011 -1,1012 10.146,1013 -2,1014 5.861,1015 7.565,1017 11.791,1018 5.868,1019 9.657,1020 -1.446,1021 11.914,1022 -2.674,1023 7.307,1024 9.411,1025 2.271,1026 14.379,1027 7.291,1028 11.084,1029 -1.649,1030 13.705,1031 -3.915,1032 8.137,1033 10.602,1035 16.48,1036 8.126,1037 12.529,1038 -1.882,1039 15.514,1040 -4.916,1041 9.38,1042 12.242,1043 2.72,1044 18.903,1045 9.354,1046 3.107,1047 -1.941,1048 17.335,1049 -5.382,1050 10.372,1051 13.607,1053 21.141,1054 10.343,1055 2.616,1056 10.396,1057 19.166,1058 -6.173,1059 11.538,1060 15.165,1061 3.184,1062 23.506,1063 11.496,1064 2.002,1065 7.998,1066 21.004,1067 4.512,1068 12.602,1069 16.607,1071 25.801,1072 12.552,1073 1.39,1074 5.963,1075 22.848,1076 3.425,1077 13.739,1078 18.132,1079 3.658,1080 28.147,1081 13.678,1082 1.249,1083 3.66,1084 24.697,1085 2.71,1086 14.836,1087 19.61,1089 30.468,1090 14.765,1091 1,1092 2.858,1093 26.55,1094 2.019,1095 15.964,1096 21.123,1097 4.138,1098 32.808,1099 15.881,1100 0.577,1101 1.992,1102 28.406,1103 1.69,1104 17.078,1105 22.616,1107 35.14,1108 16.984,1109 1535,1110 2556,1111 10.345,1112 19.034,1113 24.175,1114 24.538,1115 25.181,1116 23.849,1117 23.883,1118 32.717,1119 2.555,1120 68.14,1121 23.753,1122 5.277,1123 5.551,1124 6.324,1125 5.098,1126 5.107,1127 7.512,1128 2.555,1129 17.052,1130 5.081,1131 7.68,1132 1.511,1133 1.534,1134 1.574,1135 1.491,1136 1.493,1137 2.045,1138 0.16,1139 4.259,1140 1.485,1141 4.136,1142 4.167,1143 4.095,1144 4.057,1145 7.428,1146 4.063,1147 3.636,1148 3.678,1149 3.553,1150 3.503,1151 5.026,1152 3.507,1153 3.46,1154 3.542,1155 3.3,1156 3.249,1157 4.924,1158 3.251,1159 3.168,1160 3.246,1161 3.009,1162 2.976,1163 4.244,1164 2.971,1165 2.917,1166 3.002,1167 2.772,1168 2.752,1169 3.81,1170 2.746,1171 2.64,1172 2.772,1173 2.369,1174 2.334,1175 3.692,1176 2.326,1177 2.484,1178 2.544,1179 2.263,1180 2.239,1181 3.422,1182 2.233,1183 2.21,1184 2.292,1185 2.035,1186 1.872,1187 3.043,1188 1.907,1189 0.285,1190 0.222,1191 0.41,1192 0.256,1193 0.194,1194 4.562,1195 0.282,1196 3.551,1197 0.08,1198 6.558,1199 0.65,1200 4.098,1201 0.193,1202 3.107,1203 4.512,1204 1.277,1205 10.396,1206 3.081,1207 1.962,1208 1.944,1209 2.045,1210 2.039,1211 1.239,1212 2.041,1213 1.653,1214 1.596,1215 1.858,1216 1.846,1217 1.038,1218 1.855,1219 1.427,1220 1.379,1221 1.669,1222 1.666,1223 0.706,1224 1.664,1225 1.25,1226 1.162,1227 1.513,1228 1.518,1229 0.553,1230 1.528,1231 0.917,1232 0.843,1233 1.182,1234 1.157,1235 0.252,1236 1.178,1237 0.739,1238 0.662,1239 1.069,1240 0.963,1241 0.119,1242 1.005,1243 0.518,1244 0.378,1245 0.922,1246 0.857,1248 0.883,1249 0.132,1250 0.083,1251 0.688,1252 0.571,1254 0.583,1255 3.497,1257 4.796,1258 2.398,1259 6.297,1260 4.727,1261 7.894,1262 6.823,1263 9.543,1265 1.58,1269 5.528,1271 1.457,1280 17.918,1281 42.559,1282 103.72,1283 125.372,1284 130.127,1285 130.127,1286 130.127,1287 20.793,1288 5.855,1289 58.88,1290 58.88,1291 11,1292 11.888,1293 3.585,1294 2.807,1295 23.49,1296 34,1297 37,1298 0.364,1299 114.04,1300 187.23,1301 270.017,1302 1939,1304 10.836,1305 0.722,1306 0.581,1307 10.836,1308 8.709,1309 7.22,1310 0.451,1311 0.314,1312 4.986,1313 7.03,1314 4.825,1315 4.032,1316 7.22,1317 5.031,1318 6.367,1319 0.289,1320 0.167,1321 6.367,1322 3.669,1323 5.205,1324 0.179,1325 0.089,1326 5.205,1327 2.588,1328 4.215,1329 0.114,1330 0.048,1331 4.215,1332 1.76,1333 3.248,1334 0.074,1335 0.026,1336 3.248,1337 1.141,1338 0.535,1339 44.702,1340 0.311,1341 14.902,1342 1.098,1343 76,1344 201.381,1345 80.518,1346 199.591,1347 271.56,1348 186,1349 89,1350 197.031,1351 93.159,1352 202.465,1353 293.41,1354 191,1355 8.013} {0 CHEMBL110318,1 1.282,2 11.739,3 5.024,4 25.242,5 96.46,6 5.934,7 0.4,8 4.023,9 4.168,10 3.392,11 3.549,12 4.889,13 3.479,14 4.624,15 4.829,16 3.684,17 3.974,18 5.39,19 3.855,20 4.943,21 5.219,22 3.666,23 4.095,24 5.604,25 3.921,26 4.926,27 5.215,28 3.532,29 4.021,30 5.57,31 3.825,32 4.831,33 5.131,34 3.428,35 3.881,36 5.505,37 3.683,38 4.71,39 4.998,40 3.29,41 3.763,42 5.384,43 3.573,44 4.615,45 4.902,46 3.194,47 3.65,48 5.317,49 3.463,50 4.477,51 4.764,52 3.081,53 3.559,54 5.125,55 3.376,56 0.076,57 0.738,58 13.414,59 5.414,60 8.4,61 7.823,62 0.153,63 1.205,64 23.763,65 9.454,66 15.97,67 13.66,68 0.23,69 1.462,70 31.392,71 12.082,72 23.154,73 17.673,74 0.226,75 1.402,76 30.588,77 11.548,78 22.756,79 17.073,80 0.287,81 1.243,82 27.838,83 10.32,84 26.003,85 15.22,86 0.221,87 1.095,88 24.824,89 8.926,90 21.086,91 13.205,92 0.27,93 0.976,94 22.687,95 8.034,96 24.408,97 11.82,98 0.188,99 0.868,100 19.623,101 7.139,102 15.704,103 10.489,104 4,105 32,106 0.217,107 0.505,108 0.684,109 0.79,110 0.837,111 0.855,112 3.187,113 1.115,114 -4.4,115 -4.33,116 -4.08,119 37.7,121 9,122 1,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 13,172 3,176 4,178 14,180 1,182 3,186 4,189 12,191 1,193 2,197 1,199 9,201 1,203 2,206 1,207 1,208 1,210 1,211 8,213 1,215 2,220 1,222 6,224 1,226 2,228 1,229 1,231 2,233 6,235 1,237 1,242 1,244 8,254 2,256 10,258 1,259 771,260 16.129,261 16.129,262 16.129,263 16.129,264 16.129,265 15,266 8.779,267 10.103,268 16.339,269 12.363,270 12.363,271 12.363,272 12.363,273 12.363,274 10.597,275 7.285,276 4.772,277 12.698,278 4.446,279 2.746,280 1.689,281 1.062,282 0.783,283 0.679,284 3.877,288 1,289 1,290 581,291 3.082,294 57.049,295 147.018,298 100.072,302 1.773,303 10.637,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 48,315 270,316 4.55,317 3.186,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 3.715,326 2.775,327 5.34,328 3.522,329 2.523,330 3.129,332 6.966,333 2.522,334 3.521,335 2.521,336 5.316,337 3.325,338 2.385,339 2.675,341 6.863,342 2.241,343 3.346,344 2.17,345 5.096,346 2.947,347 1.977,348 2.521,350 5.914,351 1.908,352 2.765,353 1.772,354 4.159,355 2.673,356 1.684,357 1.86,359 3.577,360 1.665,361 2.689,362 1.504,363 3.771,364 2.408,365 1.425,366 1.701,368 3.406,369 1.397,370 2.444,371 1.39,372 3.552,373 2.299,374 1.317,375 1.442,377 2.974,378 1.292,379 2.315,380 1.178,381 3.329,382 2.022,383 1.072,384 1.278,386 2.136,387 1.015,388 2,389 1.017,390 3.247,391 2,392 1,393 1,395 2.131,396 1,397 1.998,398 1,399 3.102,400 1.765,401 0.819,402 0.916,404 1.719,405 0.768,406 1.798,407 0.719,408 3,409 1.552,410 0.594,411 0.722,413 1.233,414 0.567,415 1.143,416 0.187,417 2.568,418 0.967,419 0.018,420 0.019,422 0.04,423 0.017,424 0.812,425 -0.104,426 2.241,427 0.604,428 -0.352,429 -0.395,431 -0.655,432 -0.334,433 0.665,434 -0.433,435 2,436 0.356,437 -0.615,438 -0.661,440 -1.311,441 -0.593,442 0.443,443 -0.762,444 1.948,445 0.153,446 -0.831,447 -0.977,449 -1.854,450 -0.814,451 11.133,452 0.484,453 0.307,454 0.013,455 22.25,456 0.967,457 8.5,458 0.37,459 13.75,460 0.598,461 23.246,462 1.011,463 26.667,464 0.503,465 11.951,466 0.52,467 3.521,468 0.153,469 7.844,470 0.341,471 0.036,473 0.225,479 1.047,480 1.251,481 1.063,482 1.179,483 1.124,484 1.124,485 1.114,486 1.234,487 1.123,488 1.218,489 0.889,490 1.181,491 1.042,492 1.011,493 0.973,494 1.014,495 0.804,496 0.997,497 0.981,498 1.041,499 0.994,500 1.046,501 0.775,502 1.027,503 0.869,504 0.951,505 0.918,506 0.988,507 0.82,508 0.965,509 1.44,510 0.999,511 1.046,512 1.003,513 1.217,514 1.001,515 1.568,516 0.936,517 1.056,518 0.96,519 1.162,520 0.977,521 1.597,522 0.873,523 1.041,524 0.887,525 1.228,526 0.924,527 3,528 0.095,529 1.778,530 0.917,531 0.724,532 0.431,533 0.196,534 0.187,535 0.097,536 0.045,537 6712,538 11094,539 2.119,540 56.6,541 15,542 7,543 1,545 3,547 4,550 1.648,551 2.06,552 3.51,553 0.903,559 67.935,560 1.282,561 2.982,562 4.039,563 4.666,564 4.945,565 5.049,566 2.931,567 4.263,568 4.495,569 3.674,570 929.626,571 7.694,572 11371.7,574 1,577 303.58,578 0.998,579 4.488,580 0.12,581 0.006,582 0.056,583 0.031,584 0.029,585 0.02,586 0.01,587 0.011,588 0.006,589 0.003,590 0.291,591 0.5,592 1,593 0.787,594 111.244,595 -0.029,596 0.058,597 0.046,598 0.044,599 -0.017,600 0.053,601 -0.052,602 -0.088,603 -0.073,604 -0.092,605 0.037,606 -0.084,607 -0.021,608 -0.026,609 0.014,610 -0.002,611 0.055,612 0.006,613 -0.012,614 -0.078,615 -0.02,616 -0.06,617 0.033,618 -0.043,619 0.184,620 -0.012,621 0.055,622 -0.029,623 0.153,624 -0.003,625 -0.078,626 -0.055,627 -0.045,628 -0.044,629 -0.073,630 -0.043,631 0.012,632 -0.005,633 -0.041,634 -0.011,635 0.044,636 -0.03,637 -0.157,638 0.069,639 -0.034,640 0.076,641 -0.148,642 0.035,643 0.82,644 2.461,645 0.652,646 22.023,647 0.979,648 1.132,649 3.168,650 10.039,651 0.625,652 3.258,653 3.497,654 3.738,655 3.97,656 4.127,657 4.094,658 4.143,659 4.174,660 4.06,661 4.043,662 6.882,663 0.569,664 314.52,665 3.258,666 4.745,667 5.565,668 6.405,669 7.246,670 8.098,671 8.95,672 9.808,673 10.667,674 11.53,675 3.8,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 53,716 10,717 1,718 25,720 55,721 20,722 8,723 3,724 3,730 3,731 4,736 1,740 5,741 1,743 9,745 8,746 12,747 1,764 30,765 2,766 3,767 3,773 2,777 0.667,778 1,788 1,792 1,793 2,796 1,812 1,819 2,827 23,828 1,833 11,835 1,837 1,847 1.9,852 1,854 11.167,855 8.917,856 5.306,857 3.715,858 2.025,859 1.294,860 0.973,861 6.262,862 8.901,863 3.434,864 3.937,865 4.507,866 5.095,867 5.564,868 5.85,869 6.187,870 6.484,871 6.221,872 6.192,873 0.875,874 30,875 8.568,877 3.522,878 7.348,879 17.441,881 14.722,883 1.848,884 42.5,885 0.001,887 1,888 317.82,889 80.131,890 49.683,892 11,895 80.131,896 328.82,897 49.683,899 62.406,900 37.476,902 38.787,903 13.915,904 306.049,906 317.82,907 129.814,908 11,911 270.735,912 58.084,915 79.192,916 50.622,919 317.82,920 60.683,921 80.131,924 317.82,925 42.655,926 37.476,927 16.786,928 43.897,929 317.82,930 60.683,931 80.131,933 0.551,934 0.317,935 0.179,936 0.097,937 14,938 5,939 0.145,940 8,941 1,942 1.133,943 3.78,944 167.778,945 0.133,946 15,947 100.042,951 16.693,952 8.628,953 4.662,954 2.41,955 43.897,956 8.377,958 3.302,961 2.262,963 49.683,964 458.634,965 30,975 51.901,976 60.019,977 0.224,978 0.521,979 0.705,980 0.815,981 0.863,982 0.881,983 4.63,984 1.072,985 5.485,986 2.974,987 4.174,988 4.62,989 0.908,990 6.213,991 4.126,992 5.758,993 1,994 6.978,995 2.136,996 3.434,997 4.311,999 6.952,1000 3.374,1001 7.023,1002 0.819,1003 8.578,1004 2.131,1005 5.666,1006 6.782,1007 0.739,1008 10.066,1009 5.58,1010 8.333,1011 0.594,1012 10.247,1013 1.719,1014 5.861,1015 7.487,1017 11.753,1018 5.764,1019 9.691,1020 0.018,1021 11.963,1022 1.233,1023 7.458,1024 9.371,1025 0.593,1026 14.341,1027 7.342,1028 11.082,1029 -0.352,1030 13.713,1031 0.04,1032 8.12,1033 10.531,1035 16.416,1036 7.994,1037 12.5,1038 -0.615,1039 15.489,1040 -0.655,1041 9.436,1042 12.188,1043 0.469,1044 18.836,1045 9.295,1046 3.092,1047 -0.831,1048 17.284,1049 -1.311,1050 10.335,1051 13.547,1053 21.07,1054 10.182,1055 2.523,1056 10.36,1057 19.094,1058 -1.854,1059 11.53,1060 15.113,1061 0.366,1062 23.435,1063 11.363,1064 2.385,1065 6.966,1066 20.917,1067 4.504,1068 12.546,1069 16.557,1071 25.732,1072 12.365,1073 1.977,1074 6.863,1075 22.75,1076 3.129,1077 13.692,1078 18.087,1079 0.283,1080 28.079,1081 13.498,1082 1.684,1083 5.914,1084 24.592,1085 2.675,1086 14.764,1087 19.566,1089 30.4,1090 14.555,1091 1.425,1092 3.577,1093 26.44,1094 2.521,1095 15.893,1096 21.081,1097 0.217,1098 32.741,1099 15.669,1100 1.317,1101 3.406,1102 28.294,1103 1.86,1104 16.992,1105 22.575,1107 35.073,1108 16.753,1109 6435,1110 8426,1111 17.277,1112 33.126,1113 35.886,1114 36.149,1115 36.615,1116 35.795,1117 35.812,1118 43.535,1119 1.72,1120 94.637,1121 34.868,1122 5.55,1123 5.186,1124 6.348,1125 5.136,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 6.438,1132 1.435,1133 1.446,1134 1.465,1135 1.432,1136 1.432,1137 1.741,1138 0.069,1139 3.785,1140 1.395,1141 4.131,1142 4.163,1143 4.089,1144 4.045,1145 5.037,1146 4.052,1147 3.903,1148 3.96,1149 3.758,1150 3.8,1151 4.958,1152 3.782,1153 3.645,1154 3.702,1155 3.509,1156 3.492,1157 4.583,1158 3.484,1159 3.538,1160 3.614,1161 3.38,1162 3.401,1163 4.29,1164 3.389,1165 3.357,1166 3.428,1167 3.212,1168 3.137,1169 4.061,1170 3.144,1171 3.199,1172 3.279,1173 3.006,1174 3.034,1175 3.856,1176 3.017,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.731,1182 2.91,1183 2.953,1184 3.028,1185 2.81,1186 2.796,1187 3.474,1188 2.791,1189 0.182,1190 0.127,1191 0.262,1192 0.163,1193 0.124,1194 4.55,1195 0.18,1196 3.186,1197 0.034,1198 6.546,1199 0.414,1200 4.076,1201 0.122,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.938,1208 1.919,1209 2.131,1210 2.05,1211 1.536,1212 2.08,1213 1.907,1214 1.855,1215 2.023,1216 2.021,1217 1.255,1218 2.023,1219 1.653,1220 1.595,1221 1.901,1222 1.846,1223 1.218,1224 1.858,1225 1.626,1226 1.562,1227 1.848,1228 1.81,1229 1.016,1230 1.838,1231 1.299,1232 1.224,1233 1.578,1234 1.579,1235 0.901,1236 1.575,1237 1.246,1238 1.165,1239 1.518,1240 1.473,1241 0.825,1242 1.505,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.567,1248 1.429,1249 0.986,1250 0.93,1251 1.298,1252 1.226,1253 0.552,1254 1.247,1255 3.932,1257 5.187,1258 2.398,1259 6.64,1260 4.727,1261 8.187,1262 6.823,1263 9.788,1269 5.679,1271 13.524,1273 5.961,1275 0.985,1280 30.133,1281 67.935,1282 158.028,1283 214.07,1284 247.315,1285 262.07,1286 267.58,1287 33.232,1288 6.876,1289 51.04,1290 51.04,1291 17,1292 12.08,1293 3.459,1294 2.585,1295 37.254,1296 95,1297 87,1298 0.187,1299 186.312,1300 315.91,1301 446.362,1302 9330,1304 15.908,1305 0.692,1306 0.615,1307 15.908,1308 14.151,1309 11.365,1310 0.455,1311 0.372,1312 9.229,1313 11.114,1314 9.058,1315 7.539,1316 11.365,1317 9.295,1318 9.371,1319 0.293,1320 0.216,1321 9.371,1322 6.908,1323 7.779,1324 0.19,1325 0.126,1326 7.779,1327 5.153,1328 6.447,1329 0.124,1330 0.073,1331 6.447,1332 3.811,1333 5.061,1334 0.083,1335 0.044,1336 5.061,1337 2.709,1338 0.305,1339 69.903,1340 0.241,1341 23.376,1342 0.478,1343 114,1344 229.381,1345 119.958,1346 224.672,1347 316.58,1348 214,1349 130,1350 236.849,1351 135.82,1352 240.494,1353 351.43,1354 229,1355 7.26} {0 CHEMBL110601,1 1.451,2 14,3 3.337,4 11.132,5 132.634,6 6.532,7 0.343,8 4.281,9 4.423,10 3.744,11 3.745,12 5.243,13 3.711,14 4.872,15 5.093,16 4.075,17 4.141,18 5.742,19 4.087,20 5.118,21 5.345,22 4.174,23 4.362,24 5.995,25 4.264,26 5.247,27 5.49,28 4.096,29 4.417,30 6.076,31 4.275,32 5.308,33 5.587,34 4.042,35 4.373,36 6.111,37 4.218,38 5.214,39 5.499,40 3.928,41 4.254,42 5.997,43 4.1,44 5.079,45 5.368,46 3.83,47 4.13,48 5.879,49 3.98,50 4.974,51 5.247,52 3.802,53 4.034,54 5.87,55 3.899,56 0.054,57 1.001,58 16.216,59 5.815,60 9.616,61 8.781,62 0.376,63 1.596,64 30.602,65 8.761,66 24.482,67 14.164,68 0.54,69 1.952,70 38.939,71 12.781,72 37.839,73 19.373,74 0.377,75 2.057,76 43.856,77 15.559,78 41.79,79 23.055,80 0.568,81 2.046,82 47.323,83 15.304,84 56.546,85 23.51,86 0.53,87 1.859,88 43.236,89 13.386,90 46.991,91 20.894,92 0.467,93 1.624,94 37.676,95 11.958,96 41.365,97 18.484,98 0.454,99 1.448,100 33.924,101 10.923,102 48.166,103 16.688,104 18,105 48,106 0.231,107 0.489,108 0.674,109 0.779,110 0.834,111 0.834,112 3.502,113 0.985,114 -3.31,115 -3.3,116 -3.16,119 37.3,120 1,124 2,125 9,140 7,141 1,142 4,156 1,169 6,171 1,172 4,176 2,178 6,181 3,182 6,184 2,186 1,189 5,193 2,195 1,199 1,202 1,203 7,206 1,214 1,215 6,218 1,225 2,226 4,229 1,236 2,237 5,242 2,249 2,254 3,259 1768,260 21.8,261 21.8,262 21.8,263 21.8,264 21.8,265 20.191,266 33.968,267 12.816,268 22.45,269 17.174,270 17.174,271 17.174,272 17.174,273 17.174,274 14.649,275 50.956,276 5.972,277 18.099,278 4.615,279 3.003,280 1.842,281 1.183,282 0.84,283 0.84,284 4.198,289 1,290 969,291 3.24,295 469.265,302 2.125,303 21.35,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 68.5,315 448,316 4.349,317 3.728,318 6.52,319 4.001,320 3.053,321 3.959,322 1.985,323 10.265,324 2.893,325 4.273,326 3.305,327 6.451,328 3.963,329 3.007,330 3.839,331 0.86,332 9.941,333 2.878,334 3.946,335 3.217,336 6.017,337 3.718,338 2.754,339 3.119,340 0.8,341 8.536,342 2.647,343 3.637,344 2.785,345 5.36,346 3.418,347 2.483,348 2.896,349 0.8,350 6.93,351 2.322,352 3.445,353 2.536,354 5.212,355 3.203,356 2.265,357 2.533,358 0.8,359 6.422,360 2.118,361 3.304,362 2.463,363 5.075,364 3.053,365 2.088,366 2.438,367 0.624,368 5.836,369 2.005,370 3.101,371 2.402,372 4.923,373 2.874,374 1.966,375 2.181,376 0.375,377 5.602,378 1.782,379 2.863,380 2.105,381 4.223,382 2.466,383 1.485,384 2.016,386 3.866,387 1.447,388 2.753,389 1.5,390 3.986,391 2.414,392 1.414,393 1.78,395 3.101,396 1.414,397 2.468,398 1.412,399 3.865,400 2.11,401 1.138,402 1.46,404 3.056,405 1.103,406 2.359,407 1.216,408 3.581,409 2.045,410 1.078,411 1.32,413 2.72,414 1.04,415 2,416 1.201,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.929,434 1.146,435 3.154,436 1.639,437 0.721,438 0.821,440 1.467,441 0.651,442 1.59,443 1.016,444 2.879,445 1.308,446 0.378,447 0.433,449 0.703,450 0.348,451 15.167,452 0.474,453 0.712,454 0.022,455 37.25,456 1.164,457 15.5,458 0.484,459 21.75,460 0.68,461 30.743,462 0.961,463 36.433,464 0.544,465 28.846,466 0.901,467 7.604,468 0.238,469 7.942,470 0.248,471 0.121,473 0.303,479 0.872,480 1.701,481 0.909,482 1.33,483 0.61,484 1.149,485 1.328,486 1.087,487 1.006,488 0.856,489 0.688,490 0.866,491 1.046,492 0.989,493 1.107,494 1.034,495 0.96,496 1.063,497 1.007,498 1.199,499 1.108,500 1.235,501 1.31,502 1.2,503 1.016,504 1.006,505 0.993,506 1.001,507 1.122,508 0.999,509 1.082,510 0.984,511 1.012,512 0.972,513 0.987,514 0.981,515 0.923,516 0.886,517 0.93,518 0.927,519 0.951,520 0.925,521 0.939,522 1.045,523 0.887,524 1.005,525 1.175,526 0.954,527 6,528 0.124,529 4.222,530 1.938,531 1.56,532 1.083,533 0.704,534 0.498,535 0.361,536 0.209,537 15791,538 33232,539 2.082,540 52.2,541 3,542 31,545 1,550 1.74,551 1.959,552 3.736,553 -0.372,559 97.197,560 1.451,561 3.063,562 4.224,563 4.883,564 5.226,565 5.226,566 3.215,567 4.375,568 4.973,569 3.934,570 1951.25,571 8.672,572 29867.4,577 406.428,578 1.366,579 4.936,580 0.171,581 0.005,582 0.088,583 0.038,584 0.035,585 0.026,586 0.019,587 0.015,588 0.011,589 0.007,590 0.414,591 0.5,592 1,593 0.688,594 171.302,595 0.016,596 -0.383,597 0.084,598 -0.159,599 0.008,600 -0.05,601 -0.123,602 0.098,603 0.03,604 0.134,605 0.009,606 0.111,607 0.013,608 0.145,609 -0.101,610 -0.013,611 -0.002,612 -0.061,613 -0.055,614 -0.177,615 -0.134,616 -0.188,617 -0.111,618 -0.176,619 0.01,620 -0.055,621 -0.006,622 -0.026,623 -0.024,624 -0.021,625 -0.025,626 -0.029,627 -0.018,628 -0.021,629 -0.021,630 -0.02,631 0.059,632 0.067,633 0.056,634 0.026,635 0.057,636 0.04,637 0.173,638 -0.107,639 0.107,640 -0.027,641 0.196,642 0.025,643 1.522,644 5.832,645 0.75,646 36.703,647 0.991,648 1.136,649 2.079,650 4.322,651 0.632,652 3.584,653 3.892,654 4.159,655 4.369,656 4.605,657 4.615,658 4.718,659 4.779,660 4.779,661 4.812,662 8.149,663 0.589,664 437.65,665 3.584,666 5.118,667 5.964,668 6.828,669 7.688,670 8.555,671 9.419,672 10.288,673 11.154,674 12.023,675 7.5,678 1,680 1,681 2,682 1,688 7,693 5,695 12,707 1,709 2,712 1,714 67,716 13,717 2,718 35,720 70,721 25,722 12,723 5,724 7,730 4,731 4,736 1,745 13,746 12,750 1,755 1,759 1,764 35,765 7,766 1,767 7,773 5,777 1,778 2,793 4,806 1,815 1,819 4,823 3,827 32,833 9,834 1,835 1,838 4,847 3,850 1,852 1,854 16.333,855 12.717,856 7.139,857 4.032,858 2.109,859 1.271,860 0.97,861 7.685,862 9.88,863 3.761,864 4.263,865 4.745,866 5.183,867 5.646,868 5.69,869 5.892,870 6.074,871 6.221,872 6.325,873 1,874 51,875 11.89,877 4.914,878 7.516,879 23.44,881 19.186,883 2.016,884 64.5,888 400.217,889 134.794,890 30.508,892 36.145,895 134.794,896 436.362,897 30.508,898 28.105,899 22.076,900 66.334,901 47.86,902 37.072,904 400.217,906 400.217,907 165.302,908 36.145,911 400.217,912 36.145,915 34.025,916 113.266,917 18.011,919 400.217,920 66.653,921 134.794,924 400.217,925 40.355,926 106.936,927 18.011,928 36.145,929 400.217,930 66.653,931 134.794,933 0.578,934 0.344,935 0.179,936 0.1,937 22,938 10,939 0.086,940 6,942 1,943 4.388,944 282.707,946 24,947 148,951 23.055,952 10.666,953 5.639,955 66.653,956 14.53,961 5.465,963 18.011,964 601.664,965 42,970 12.832,974 0.145,975 66.418,976 76.138,977 0.239,978 0.505,979 0.696,980 0.805,981 0.862,982 0.862,983 5.011,984 1.485,985 5.938,986 5.602,987 4.575,988 4.949,989 2.558,990 6.725,991 4.476,992 6.166,993 1.414,994 7.486,995 3.866,996 4.111,997 4.649,998 1.865,999 7.6,1000 3.951,1001 7.446,1002 1.138,1003 9.134,1004 3.101,1005 6.151,1006 6.984,1007 3.193,1008 10.671,1009 5.952,1010 8.757,1011 1.078,1012 10.841,1013 3.056,1014 6.509,1015 7.505,1016 3.242,1017 12.379,1018 6.248,1019 10.102,1020 1,1021 12.585,1022 2.72,1023 7.999,1024 9.336,1025 4.31,1026 14.958,1027 7.703,1028 11.469,1029 1,1030 14.357,1031 2.275,1032 8.737,1033 10.243,1034 4.682,1035 17.009,1036 8.383,1037 12.853,1038 0.721,1039 16.147,1040 2.275,1041 9.999,1042 11.857,1043 5.583,1044 19.417,1045 9.608,1046 3.053,1047 0.378,1048 17.952,1049 1.467,1050 10.922,1051 12.963,1052 6.105,1053 21.615,1054 10.476,1055 3.007,1056 10.265,1057 19.767,1058 0.703,1059 12.085,1060 14.469,1061 6.91,1062 23.96,1063 11.6,1064 2.754,1065 9.941,1066 21.592,1067 3.959,1068 13.099,1069 15.684,1070 7.507,1071 26.221,1072 12.56,1073 2.483,1074 8.536,1075 23.423,1076 3.839,1077 14.221,1078 17.13,1079 8.258,1080 28.544,1081 13.64,1082 2.265,1083 6.93,1084 25.26,1085 3.119,1086 15.279,1087 18.407,1088 8.895,1089 30.833,1090 14.646,1091 2.088,1092 6.422,1093 27.102,1094 2.896,1095 16.386,1096 19.819,1097 9.617,1098 33.148,1099 15.707,1100 1.966,1101 5.836,1102 28.948,1103 2.533,1104 17.465,1105 21.132,1106 10.276,1107 35.45,1108 16.735,1109 14952,1110 21821,1111 23.463,1112 42.358,1113 52.032,1114 52.856,1115 53.862,1116 51.666,1117 51.659,1118 61.588,1119 12.49,1120 145.989,1121 49.159,1122 5.349,1123 5.728,1124 6.205,1125 5.068,1126 5.053,1127 6.959,1128 3.458,1129 16.988,1130 4.893,1131 15.428,1132 1.487,1133 1.51,1134 1.539,1135 1.476,1136 1.476,1137 1.76,1138 0.357,1139 4.171,1140 1.405,1141 4.01,1142 4.056,1143 3.945,1144 3.898,1145 7.427,1146 3.902,1147 3.945,1148 3.987,1149 3.884,1150 3.851,1151 4.869,1152 3.855,1153 3.775,1154 3.837,1155 3.681,1156 3.582,1157 4.753,1158 3.597,1159 3.73,1160 3.789,1161 3.618,1162 3.554,1163 4.438,1164 3.561,1165 3.455,1166 3.514,1167 3.342,1168 3.231,1169 4.356,1170 3.25,1171 3.238,1172 3.307,1173 3.086,1174 3.024,1175 4.267,1176 3,1177 3.191,1178 3.288,1179 3.014,1180 2.961,1181 3.948,1182 2.975,1183 3.169,1184 3.257,1185 2.964,1186 2.941,1187 3.896,1188 2.94,1189 0.124,1190 0.107,1191 0.186,1192 0.114,1193 0.087,1194 4.349,1195 0.113,1196 3.728,1197 0.057,1198 6.52,1199 0.293,1200 4.001,1201 0.083,1202 3.053,1203 3.959,1204 1.985,1205 10.265,1206 2.893,1207 1.939,1208 1.904,1209 2.066,1210 2.08,1211 1.309,1212 2.076,1213 1.918,1214 1.887,1215 2.036,1216 2.06,1217 1.304,1218 2.059,1219 1.729,1220 1.664,1221 1.925,1222 1.933,1223 1.099,1224 1.935,1225 1.696,1226 1.63,1227 1.893,1228 1.883,1229 1.063,1230 1.891,1231 1.386,1232 1.328,1233 1.621,1234 1.647,1235 0.825,1236 1.64,1237 1.208,1238 1.128,1239 1.555,1240 1.494,1241 0.825,1242 1.515,1243 1.181,1244 1.108,1245 1.551,1246 1.447,1247 0.787,1248 1.475,1249 1.17,1250 1.068,1251 1.526,1252 1.418,1253 0.637,1254 1.469,1255 4.263,1257 5.572,1259 7.084,1261 8.682,1263 10.322,1265 6.003,1271 7.564,1272 3.336,1273 5.593,1276 9.032,1280 39.439,1281 97.197,1282 205.233,1283 283.002,1284 327.144,1285 350.163,1286 350.163,1287 51.653,1288 7.771,1289 51.29,1290 51.29,1291 24,1292 12.567,1293 3.807,1294 3,1295 52.185,1296 160,1297 138,1298 0.158,1299 242.478,1300 423.92,1301 583.405,1302 28458,1304 22.501,1305 0.703,1306 0.61,1307 22.501,1308 19.511,1309 15.546,1310 0.444,1311 0.328,1312 11.289,1313 14.847,1314 10.93,1315 9.059,1316 15.546,1317 11.487,1318 13.686,1319 0.285,1320 0.181,1321 13.686,1322 8.685,1323 11.782,1324 0.187,1325 0.104,1326 11.782,1327 6.555,1328 9.341,1329 0.12,1330 0.058,1331 9.341,1332 4.499,1333 7.721,1334 0.078,1335 0.032,1336 7.721,1337 3.215,1338 0.256,1339 97.845,1340 0.206,1341 30.471,1342 0.411,1343 166,1344 426.384,1345 181.806,1346 407.761,1347 561.89,1348 386,1349 194,1350 411.083,1351 211.889,1352 417.818,1353 608.02,1354 391,1355 4.377} {0 CHEMBL111000,1 1.493,2 7.778,3 2.286,4 5.226,5 71.574,6 6.843,7 0.526,8 3.661,9 3.788,10 3.151,11 3.144,12 4.73,13 3.118,14 4.193,15 4.398,16 3.473,17 3.5,18 5.249,19 3.456,20 4.346,21 4.534,22 3.396,23 3.615,24 5.333,25 3.524,26 4.45,27 4.715,28 3.322,29 3.605,30 5.302,31 3.469,32 4.355,33 4.617,34 3.253,35 3.464,36 5.278,37 3.34,38 4.206,39 4.437,40 3.141,41 3.359,42 5.151,43 3.251,44 4.175,45 4.43,46 2.973,47 3.245,48 5.149,49 3.107,50 4.015,51 4.288,52 2.509,53 2.973,54 4.936,55 2.79,56 0.015,57 0.508,58 8.146,59 3.247,60 5.312,61 4.526,62 0.231,63 0.778,64 15.031,65 4.981,66 23.306,67 7.291,68 0.202,69 0.86,70 17.533,71 6.361,72 26.157,73 8.781,74 0.142,75 0.909,76 19.694,77 7.07,78 22.919,79 10.456,80 0.223,81 0.802,82 18.185,83 6.246,84 26.744,85 9.139,86 0.159,87 0.71,88 15.491,89 5.217,90 19.732,91 7.565,92 0.254,93 0.67,94 15.27,95 4.755,96 23.338,97 7.203,98 0.16,99 0.517,100 13.171,101 4.162,102 27.023,103 6.147,104 26,105 26,106 0.275,107 0.631,108 0.794,109 0.818,110 0.818,111 0.818,112 2.96,113 0.946,114 -3.26,115 -3.25,116 -3.12,119 38.9,120 1,121 1,124 2,125 1,140 3,141 2,142 1,149 1,150 1,156 1,169 4,171 1,172 5,176 3,178 4,182 3,186 3,189 4,193 4,199 4,203 4,206 2,211 3,215 2,222 1,225 1,226 2,229 1,231 1,233 1,248 1,249 1,259 388,260 11.723,261 11.723,262 11.723,263 11.723,264 11.723,265 10.387,266 11.84,267 7.01,268 11.992,269 9.398,270 9.398,271 9.398,272 9.398,273 9.398,274 7.337,275 11.459,276 3.368,277 9.811,278 3.677,279 1.746,280 0.862,281 0.73,282 0.73,283 0.73,284 3.612,287 1,288 1,289 1,290 282,291 3.317,294 38.847,295 44.526,298 70.111,302 1.333,303 13.14,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 39,315 140,316 4.552,317 3.657,318 6.547,319 4.079,320 3.095,321 4.504,322 2.443,323 10.364,324 3.044,325 3.808,326 3.166,327 5.407,328 3.433,329 2.492,330 3.192,331 0.8,332 7.145,333 2.33,334 3.436,335 2.63,336 5.126,337 3.167,338 2.235,339 2.717,340 0.286,341 6.03,342 2.089,343 3.288,344 2.505,345 4.625,346 2.937,347 1.956,348 2.502,350 5.024,351 1.897,352 3.144,353 2.066,354 4.429,355 2.793,356 1.811,357 2.182,359 4.564,360 1.762,361 2.712,362 1.321,363 4.109,364 2.236,365 1.257,366 1.803,368 3.407,369 1.228,370 2.218,371 1.003,372 3.286,373 1.792,374 0.838,375 1.114,377 1.912,378 0.797,379 1.604,380 0.753,381 2.886,382 1.372,383 0.403,384 0.475,386 0.93,387 0.389,388 1.17,389 0.449,390 2.628,391 0.79,392 -0.143,393 -0.173,395 -0.369,396 -0.131,397 0.648,398 0.112,399 2.194,400 0.212,401 -0.747,402 -0.867,404 -1.962,405 -0.704,406 0.614,407 -0.381,408 2,409 0.138,410 -0.855,411 -1,413 -2,414 -0.844,415 0.322,416 -0.6,417 1.884,418 0.086,419 -1,420 -1.194,422 -2,423 -0.9,424 0.112,425 -0.7,426 1.584,427 -0.1,428 -1,429 -1.368,431 -2.635,432 -1.075,434 -0.922,435 1.064,436 -0.199,437 -1.154,438 -1.521,440 -3.135,441 -1.114,442 -0.215,443 -1.26,444 1,445 -0.609,446 -1.564,447 -1.84,449 -4.329,450 -1.46,451 8.467,452 0.47,453 0.527,454 0.029,455 21.5,456 1.194,457 10,458 0.556,459 11.5,460 0.639,461 13.107,462 0.728,463 20.333,464 0.565,465 14.181,466 0.788,467 4.474,468 0.249,469 4.085,470 0.227,471 0.217,473 0.343,479 0.804,480 1.495,481 0.863,482 1.25,483 0.609,484 1.087,485 0.855,486 0.903,487 0.822,488 0.813,489 0.44,490 0.786,491 1.34,492 1.14,493 1.226,494 1.139,495 1.147,496 1.17,497 0.612,498 1.029,499 0.854,500 1.028,501 0.477,502 0.983,503 0.724,504 0.936,505 0.854,506 0.985,507 0.87,508 0.948,509 1.126,510 1.178,511 1.063,512 1.103,513 0.945,514 1.082,515 0.88,516 1.048,517 1.129,518 1.103,519 0.825,520 1.139,521 1.19,522 1.061,523 1.208,524 1.159,525 1.586,526 1.184,527 4.5,529 1.778,530 1.104,531 0.813,532 0.511,533 0.482,534 0.241,535 0.09,536 0.08,537 2536,538 6591,539 1.963,540 50,542 11,543 1,545 1,546 3,547 2,550 1.588,551 1.8,552 2.976,553 -0.28,555 1,556 1,557 1,559 53.756,560 1.493,561 3.424,562 4.308,563 4.44,564 4.44,565 4.44,566 2.441,567 3.837,568 4.135,569 3.119,570 477.223,571 7.026,572 4525.04,573 1,574 1,576 1,577 186.117,578 1.53,579 4.076,580 0.237,582 0.068,583 0.048,584 0.039,585 0.027,586 0.028,587 0.019,588 0.013,589 0.02,590 0.499,591 0.67,592 1,593 1.65,594 76.434,595 -0.022,596 -0.245,597 0.052,598 -0.118,599 -0.047,600 -0.036,601 0.109,602 0.231,603 0.148,604 0.191,605 0.218,606 0.192,607 -0.231,608 -0.081,609 -0.262,610 -0.094,611 -0.185,612 -0.174,613 0.03,614 -0.062,615 0.076,616 -0.029,617 0.076,618 0.024,619 0.124,620 0.018,621 0.107,622 -0.013,623 0.03,624 0.033,625 -0.116,626 -0.188,627 -0.093,628 -0.114,629 -0.078,630 -0.106,631 0.079,632 -0.048,633 -0.154,634 -0.171,635 0.05,636 -0.194,637 -0.134,638 -0.171,639 -0.224,640 -0.232,641 -0.195,642 -0.239,643 1.959,644 3.951,645 0.5,646 13.741,647 0.998,648 1.132,649 2.032,650 4.131,651 0.639,652 2.996,653 3.296,654 3.466,655 3.738,656 3.912,657 3.989,658 4.094,659 4.111,660 3.784,661 3.689,662 4.825,663 0.602,664 246.34,665 2.996,666 4.511,667 5.323,668 6.192,669 7.038,670 7.916,671 8.778,672 9.661,673 10.533,674 11.417,675 5.6,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 36,716 11,717 1,718 19,720 37,721 14,722 8,723 3,724 3,730 2,731 3,736 1,743 1,745 9,746 5,750 1,755 1,759 1,761 1,764 18,765 3,766 1,767 4,773 2,777 0.5,778 2,788 1,792 1,793 1,796 1,808 1,815 1,819 1,823 3,827 18,833 2,835 1,838 1,847 5.6,850 1,852 1,854 10,855 7.367,856 3.972,857 2.049,858 2.185,859 1.352,860 0.949,861 3.919,862 8.383,863 3.258,864 3.855,865 4.402,866 5.051,867 5.548,868 5.893,869 6.297,870 6.623,871 6.354,872 6.405,873 1,874 23,875 6.623,877 2.662,878 7.741,879 12.708,881 9.921,883 2.241,884 40.333,885 0.001,888 200.109,889 88.072,890 19.91,892 36.145,895 88.072,896 236.254,897 19.91,898 25.618,899 4.64,900 37.476,901 32.336,902 41.912,903 13.915,904 188.338,906 200.109,907 107.982,908 36.145,911 176.567,912 59.687,915 33.375,916 74.606,919 200.109,920 56.055,921 88.072,924 200.109,925 24.978,926 66.218,927 16.786,928 36.145,929 200.109,930 56.055,931 88.072,933 0.576,934 0.294,935 0.16,936 0.093,937 12,938 6,939 0.135,940 5,941 1,942 1.222,943 3.01,944 121.984,945 0.222,946 9,947 73.059,951 12.963,952 5.442,953 3.271,954 2.19,955 39.269,956 7.673,958 3.233,961 1.841,963 16.786,964 344.235,965 25,970 10.951,974 -0.292,975 35.927,976 40.737,977 0.289,978 0.662,979 0.833,980 0.859,981 0.859,982 0.859,983 4.472,984 0.403,985 5.313,986 1.912,987 3.97,988 4.538,989 2.485,990 6.084,991 3.893,992 5.683,993 -0.143,994 6.847,995 0.93,996 3.611,997 4.46,998 2.283,999 6.934,1000 3.507,1001 6.987,1002 -0.747,1003 8.478,1004 -0.369,1005 5.517,1006 6.778,1007 3.851,1008 9.996,1009 5.376,1010 8.328,1011 -0.855,1012 10.166,1013 -1.962,1014 5.916,1015 7.542,1016 4.273,1017 11.707,1018 5.76,1019 9.702,1020 -1,1021 11.894,1022 -2,1023 7.352,1024 9.383,1025 5.487,1026 14.304,1027 7.17,1028 11.102,1029 -1,1030 13.652,1031 -2,1032 8.12,1033 10.553,1034 6.159,1035 16.389,1036 7.932,1037 12.523,1038 -1.154,1039 15.434,1040 -2.635,1041 9.364,1042 12.199,1043 7.208,1044 18.82,1045 9.159,1046 3.095,1047 -1.564,1048 17.234,1049 -3.135,1050 10.318,1051 13.558,1052 7.992,1053 21.059,1054 10.109,1055 2.492,1056 10.364,1057 19.05,1058 -4.329,1059 11.484,1060 15.121,1061 8.963,1062 23.431,1063 11.262,1064 2.235,1065 7.145,1066 20.878,1067 4.504,1068 12.529,1069 16.563,1070 9.802,1071 25.73,1072 12.301,1073 1.956,1074 6.03,1075 22.716,1076 3.192,1077 13.666,1078 18.092,1079 10.734,1080 28.081,1081 13.426,1082 1.811,1083 5.024,1084 24.562,1085 2.717,1086 14.754,1087 19.57,1088 11.599,1089 30.403,1090 14.505,1091 1.257,1092 4.564,1093 26.415,1094 2.502,1095 15.881,1096 21.085,1097 12.512,1098 32.746,1099 15.621,1100 0.838,1101 3.407,1102 28.273,1103 2.182,1104 16.99,1105 22.578,1106 13.391,1107 35.078,1108 16.718,1109 2671,1110 4406,1111 12.137,1112 23.012,1113 28.475,1114 28.769,1115 29.039,1116 28.207,1117 28.175,1118 36.977,1119 7.058,1120 78.754,1121 27.074,1122 5.384,1123 5.657,1124 5.931,1125 5.11,1126 5.095,1127 7.504,1128 4.174,1129 17.029,1130 5.044,1131 10.402,1132 1.499,1133 1.514,1134 1.528,1135 1.485,1136 1.483,1137 1.946,1138 0.371,1139 4.145,1140 1.425,1141 4.13,1142 4.162,1143 4.089,1144 4.044,1145 7.434,1146 4.051,1147 3.664,1148 3.742,1149 3.547,1150 3.477,1151 4.983,1152 3.481,1153 3.561,1154 3.589,1155 3.46,1156 3.312,1157 4.505,1158 3.339,1159 3.342,1160 3.401,1161 3.217,1162 3.172,1163 4.312,1164 3.174,1165 3.121,1166 3.215,1167 2.94,1168 2.91,1169 3.957,1170 2.906,1171 2.874,1172 3.009,1173 2.677,1174 2.73,1175 3.772,1176 2.708,1177 2.862,1178 2.931,1179 2.499,1180 2.618,1181 3.562,1182 2.57,1183 2.564,1184 2.618,1185 2.35,1186 2.292,1187 3.469,1188 2.295,1189 0.24,1190 0.192,1191 0.345,1192 0.215,1193 0.163,1194 4.552,1195 0.237,1196 3.657,1197 0.129,1198 6.547,1199 0.545,1200 4.079,1201 0.16,1202 3.095,1203 4.504,1204 2.443,1205 10.364,1206 3.044,1207 1.936,1208 1.918,1209 2.022,1210 2.026,1211 1.249,1212 2.024,1213 1.686,1214 1.622,1215 1.899,1216 1.901,1217 1.063,1218 1.907,1219 1.451,1220 1.382,1221 1.692,1222 1.709,1223 0.784,1224 1.701,1225 1.412,1226 1.362,1227 1.685,1228 1.665,1229 0.694,1230 1.668,1231 1.113,1232 1.03,1233 1.417,1234 1.369,1235 0.508,1236 1.396,1237 0.934,1238 0.821,1239 1.416,1240 1.239,1241 0.469,1242 1.308,1243 0.883,1244 0.804,1245 1.124,1246 1.064,1247 0.239,1248 1.089,1249 0.733,1250 0.669,1251 1.015,1252 0.964,1253 0.108,1254 0.981,1255 3.664,1257 4.963,1258 2.398,1259 6.431,1260 4.727,1261 7.99,1262 6.823,1263 9.606,1265 5.52,1271 1.96,1273 5.109,1276 2.148,1280 21.687,1281 53.756,1282 123.257,1283 155.098,1284 159.853,1285 159.853,1286 159.853,1287 24.676,1288 6.198,1289 45.33,1290 45.33,1291 11,1292 11.953,1293 3.585,1294 2.807,1295 30.96,1296 50,1297 49,1298 0.311,1299 137.221,1300 230.62,1301 326.578,1302 3178,1304 13.121,1305 0.729,1306 0.61,1307 13.121,1308 10.987,1309 8.559,1310 0.45,1311 0.315,1312 5.892,1313 8.16,1314 5.62,1315 4.745,1316 8.559,1317 5.992,1318 8.041,1319 0.309,1320 0.18,1321 8.041,1322 4.668,1323 5.59,1324 0.18,1325 0.091,1326 5.59,1327 2.829,1328 4.724,1329 0.115,1330 0.047,1331 4.724,1332 1.938,1333 3.703,1334 0.076,1335 0.027,1336 3.703,1337 1.307,1338 0.474,1339 53.981,1340 0.287,1341 18.054,1342 0.885,1343 90,1344 269.449,1345 99.668,1346 257.226,1347 346.38,1348 240,1349 102,1350 251.289,1351 110.481,1352 255.267,1353 365.67,1354 237,1355 7.509} {0 CHEMBL111107,1 1.267,2 12.625,3 5.574,4 31.064,5 101.12,6 5.867,7 0.385,8 4.073,9 4.219,10 3.431,11 3.598,12 4.929,13 3.525,14 4.678,15 4.887,16 3.743,17 4.018,18 5.441,19 3.898,20 4.99,21 5.266,22 3.753,23 4.137,24 5.688,25 3.976,26 4.983,27 5.273,28 3.624,29 4.088,30 5.642,31 3.903,32 4.867,33 5.159,34 3.525,35 3.961,36 5.543,37 3.771,38 4.769,39 5.05,40 3.379,41 3.855,42 5.457,43 3.667,44 4.683,45 4.973,46 3.247,47 3.729,48 5.369,49 3.533,50 4.559,51 4.845,52 3.108,53 3.636,54 5.191,55 3.44,56 0.08,57 0.777,58 14.219,59 5.765,60 8.353,61 8.329,62 0.155,63 1.271,64 25.116,65 9.918,66 15.968,67 14.417,68 0.264,69 1.553,70 33.123,71 12.078,72 26.344,73 18.059,74 0.254,75 1.501,76 32.482,77 11.969,78 24.407,79 17.874,80 0.278,81 1.31,82 28.783,83 11.073,84 24.986,85 16.137,86 0.223,87 1.182,88 26.327,89 9.668,90 22.27,91 14.239,92 0.263,93 1.052,94 24.038,95 8.739,96 24.713,97 12.855,98 0.192,99 0.942,100 21.154,101 7.815,102 16.314,103 11.472,104 14,105 34,106 0.212,107 0.486,108 0.681,109 0.802,110 0.857,111 0.886,112 3.227,113 1.13,114 -5.53,115 -5.41,116 -5.05,119 37.5,120 1,121 10,125 1,127 1,140 3,141 2,142 1,150 2,161 1,162 1,163 1,169 12,172 3,176 6,178 12,180 2,182 3,186 6,189 12,191 2,193 2,197 1,199 11,201 1,203 2,206 1,207 1,208 1,210 1,211 11,213 1,215 2,220 1,222 8,224 1,226 2,228 1,229 1,231 2,233 7,235 1,237 1,242 1,244 7,249 1,254 2,256 8,258 1,259 910,260 16.629,261 16.629,262 16.629,263 16.629,264 16.629,265 15.499,266 12.431,267 10.452,268 16.838,269 12.874,270 12.874,271 12.874,272 12.874,273 12.874,274 11.043,275 11.333,276 5.047,277 13.226,278 4.54,279 2.901,280 1.734,281 1.013,282 0.683,283 0.513,284 3.916,288 1,289 1,290 651,291 3.464,294 42.48,295 115.509,298 166.957,302 1.99,303 12.78,306 0.75,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.94,314 50,315 303,316 4.648,317 3.36,318 6.77,319 4.208,320 3.225,321 4.597,322 0.86,323 11.162,324 3.17,325 3.85,326 2.862,327 5.664,328 3.512,329 2.547,330 3.291,332 7.593,333 2.462,334 3.484,335 2.456,336 5.232,337 3.208,338 2.26,339 2.778,341 6.527,342 2.132,343 3.132,344 2.151,345 4.96,346 2.911,347 1.93,348 2.369,350 5.681,351 1.9,352 3.113,353 1.911,354 4.828,355 2.854,356 1.872,357 2.171,359 5.181,360 1.824,361 2.901,362 1.885,363 3.899,364 2.722,365 1.745,366 1.903,368 3.779,369 1.702,370 2.63,371 1.686,372 3.797,373 2.594,374 1.603,375 1.632,377 3.17,378 1.587,379 2.304,380 1.342,381 3.618,382 2.169,383 1.195,384 1.258,386 2.653,387 1.159,388 2.218,389 1.138,390 3.258,391 2,392 1,393 1.203,395 2.299,396 1,397 1.844,398 0.859,399 3.135,400 1.681,401 0.725,402 0.778,404 1.458,405 0.687,406 1.663,407 0.573,408 2.778,409 1.462,410 0.497,411 0.58,413 1.084,414 0.478,415 1.206,416 0.252,417 2.47,418 1.093,419 0.133,420 0.139,422 0.247,423 0.127,424 0.915,425 -0.014,426 2.361,427 0.725,428 -0.239,429 -0.263,431 -0.506,432 -0.229,433 0.713,434 -0.332,435 2.274,436 0.488,437 -0.481,438 -0.513,440 -0.988,441 -0.464,442 0.566,443 -0.54,444 2.207,445 0.305,446 -0.683,447 -0.8,449 -1.761,450 -0.673,451 11.633,452 0.485,453 0.397,454 0.017,455 22.75,456 0.948,457 8.5,458 0.354,459 14.25,460 0.594,461 25.57,462 1.065,463 27.967,464 0.499,465 12.338,466 0.514,467 3.478,468 0.145,469 8.298,470 0.346,471 0.077,473 0.258,479 1.05,480 1.263,481 1.08,482 1.194,483 1.191,484 1.141,485 1.063,486 1.293,487 1.074,488 1.221,489 0.843,490 1.163,491 1.222,492 1.011,493 0.986,494 0.966,495 1.092,496 0.959,497 1.112,498 0.988,499 1.005,500 0.986,501 0.991,502 0.985,503 0.804,504 0.976,505 0.907,506 1.011,507 0.748,508 0.979,509 1.435,510 1.045,511 1.085,512 1.053,513 1.284,514 1.05,515 1.383,516 0.963,517 1.04,518 0.989,519 1.071,520 0.996,521 1.559,522 0.948,523 1.096,524 0.969,525 1.207,526 1.003,527 3.5,528 0.078,529 1.778,530 1.264,531 0.857,532 0.535,533 0.255,534 0.187,535 0.121,536 0.096,537 7246,538 11467,539 2.089,540 57.1,541 15,542 6,545 3,546 2,547 6,550 1.66,551 2,552 3.583,553 0.874,559 70.973,560 1.267,561 2.906,562 4.073,563 4.794,564 5.124,565 5.294,566 3.094,567 4.335,568 4.545,569 3.761,570 1038.06,571 7.804,572 13010,577 325.212,578 1.189,579 4.536,580 0.135,581 0.006,582 0.052,583 0.038,584 0.031,585 0.021,586 0.012,587 0.01,588 0.008,589 0.006,590 0.319,591 0.5,592 0.88,593 2.209,594 117.782,595 -0.024,596 0.054,597 0.045,598 0.041,599 -0.07,600 0.051,601 0.002,602 -0.148,603 -0.016,604 -0.092,605 0.085,606 -0.062,607 -0.045,608 0.005,609 0.027,610 0.028,611 0.001,612 0.032,613 -0.046,615 -0.013,616 -0.009,617 -0.038,618 -0.007,619 0.205,620 -0.019,621 0.069,622 -0.023,623 0.164,624 0.005,625 -0.085,626 -0.075,627 -0.076,628 -0.072,629 -0.117,630 -0.074,631 0.043,632 -0.022,633 -0.036,634 -0.03,635 0.062,636 -0.039,637 -0.159,638 0.003,639 -0.091,640 0.001,641 -0.157,642 -0.036,643 1.034,644 2.484,645 0.542,646 26.903,647 0.978,648 1.133,649 4.303,650 18.519,651 0.623,652 3.296,653 3.555,654 3.807,655 4.094,656 4.357,657 4.443,658 4.595,659 4.727,660 4.635,661 4.644,662 7.191,663 0.565,664 328.55,665 3.296,666 4.796,667 5.624,668 6.485,669 7.348,670 8.229,671 9.112,672 10.006,673 10.901,674 11.803,675 3.6,676 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 56,716 10,717 1,718 26,720 58,721 21,722 8,723 3,724 3,730 3,731 6,736 1,740 4,743 11,745 8,746 13,764 32,765 2,766 3,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 2,812 1,819 1,823 1,827 24,828 1,833 11,835 1,837 1,847 1.8,852 1,854 12,855 9.833,856 5.5,857 4.076,858 2.097,859 1.291,860 0.968,861 6.474,862 9.311,863 3.466,864 3.994,865 4.581,866 5.221,867 5.774,868 6.133,869 6.551,870 6.926,871 6.862,872 6.964,873 1,874 33,875 8.954,877 3.687,878 7.34,879 18.216,881 15.344,883 1.84,884 44.167,885 0.001,888 341.362,889 83.095,890 49.683,892 11,895 83.095,896 352.362,897 49.683,898 8.825,899 62.835,900 28.429,902 38.787,903 4.901,904 341.362,906 341.362,907 132.777,908 11,911 270.735,912 81.626,915 88.446,916 44.332,919 341.362,920 60.683,921 83.095,924 341.362,925 45.841,926 37.254,927 16.786,928 43.897,929 341.362,930 60.683,931 83.095,933 0.554,934 0.309,935 0.17,936 0.099,937 15,938 6,939 0.155,940 9,941 2,942 1.308,943 3.832,944 180.893,945 0.308,946 13,947 108.039,951 17.66,952 8.798,953 4.697,954 2.523,955 43.897,956 6.439,958 3.553,961 3.774,963 49.683,964 485.139,965 31,975 54.785,976 63.434,977 0.218,978 0.5,979 0.701,980 0.826,981 0.882,982 0.912,983 4.677,984 1.195,985 5.565,986 3.17,987 4.234,988 4.677,989 0.908,990 6.333,991 4.182,992 5.825,993 1,994 7.083,995 2.653,996 3.611,997 4.477,999 7.154,1000 3.526,1001 7.107,1002 0.725,1003 8.71,1004 2.299,1005 5.759,1006 6.874,1007 0.739,1008 10.314,1009 5.66,1010 8.436,1011 0.497,1012 10.407,1013 1.458,1014 6.043,1015 7.642,1017 12.083,1018 5.917,1019 9.812,1020 0.133,1021 12.152,1022 1.084,1023 7.604,1024 9.5,1025 0.593,1026 14.746,1027 7.468,1028 11.222,1029 -0.239,1030 13.932,1031 0.247,1032 8.356,1033 10.704,1035 16.91,1036 8.201,1037 12.66,1038 -0.481,1039 15.74,1040 -0.506,1041 9.671,1042 12.356,1043 0.469,1044 19.408,1045 9.505,1046 3.225,1047 -0.683,1048 17.568,1049 -0.988,1050 10.653,1051 13.749,1053 21.727,1054 10.472,1055 2.547,1056 11.162,1057 19.412,1058 -1.761,1059 11.87,1060 15.322,1061 0.366,1062 24.168,1063 11.676,1064 2.26,1065 7.593,1066 21.27,1067 4.597,1068 12.957,1069 16.792,1071 26.546,1072 12.749,1073 1.93,1074 6.527,1075 23.138,1076 3.291,1077 14.139,1078 18.335,1079 0.283,1080 28.967,1081 13.917,1082 1.872,1083 5.681,1084 25.015,1085 2.778,1086 15.272,1087 19.837,1089 31.367,1090 15.035,1091 1.745,1092 5.181,1093 26.898,1094 2.369,1095 16.442,1096 21.369,1097 0.217,1098 33.782,1099 16.191,1100 1.603,1101 3.779,1102 28.788,1103 2.171,1104 17.596,1105 22.884,1107 36.189,1108 17.329,1109 7118,1110 9138,1111 17.682,1112 34.887,1113 37.37,1114 37.736,1115 38.341,1116 37.472,1117 37.462,1118 45.397,1119 1.72,1120 101.666,1121 36.455,1122 5.594,1123 5.36,1124 6.746,1125 5.268,1126 5.225,1127 7.597,1128 1.72,1129 18.171,1130 5.17,1131 9.47,1132 1.437,1133 1.451,1134 1.475,1135 1.441,1136 1.441,1137 1.746,1138 0.066,1139 3.91,1140 1.402,1141 4.164,1142 4.196,1143 4.122,1144 4.079,1145 5.038,1146 4.086,1147 3.798,1148 3.862,1149 3.64,1150 3.675,1151 4.936,1152 3.655,1153 3.713,1154 3.763,1155 3.593,1156 3.595,1157 4.571,1158 3.589,1159 3.603,1160 3.674,1161 3.425,1162 3.462,1163 4.22,1164 3.441,1165 3.392,1166 3.462,1167 3.247,1168 3.198,1169 4.093,1170 3.195,1171 3.267,1172 3.35,1173 3.083,1174 3.091,1175 3.96,1176 3.084,1177 3.092,1178 3.174,1179 2.908,1180 2.948,1181 3.768,1182 2.929,1183 3.019,1184 3.107,1185 2.815,1186 2.819,1187 3.656,1188 2.803,1189 0.179,1190 0.129,1191 0.26,1192 0.162,1193 0.124,1194 4.648,1195 0.177,1196 3.36,1197 0.033,1198 6.77,1199 0.429,1200 4.208,1201 0.122,1202 3.225,1203 4.597,1204 0.86,1205 11.162,1206 3.17,1207 1.948,1208 1.929,1209 2.064,1210 2.034,1211 1.41,1212 2.041,1213 1.829,1214 1.78,1215 2.049,1216 1.992,1217 1.386,1218 2.003,1219 1.799,1220 1.738,1221 1.978,1222 1.954,1223 1.228,1224 1.981,1225 1.631,1226 1.563,1227 1.91,1228 1.813,1229 1.127,1230 1.85,1231 1.375,1232 1.3,1233 1.698,1234 1.605,1235 0.958,1236 1.636,1237 1.253,1238 1.178,1239 1.483,1240 1.513,1241 0.719,1242 1.512,1243 1.124,1244 1.063,1245 1.434,1246 1.328,1247 0.662,1248 1.365,1249 1.054,1250 0.964,1251 1.403,1252 1.304,1253 0.587,1254 1.348,1255 3.97,1257 5.242,1258 2.398,1259 6.711,1260 4.844,1261 8.287,1262 7.05,1263 9.931,1265 2.264,1269 6.15,1271 13.18,1273 5.984,1275 0.3,1280 31.66,1281 70.973,1282 162.736,1283 228.092,1284 268.483,1285 286.947,1286 296.457,1287 37.574,1288 7.215,1289 51.04,1290 51.04,1291 17,1292 12.326,1293 3.459,1294 2.585,1295 39.813,1296 101,1297 130,1298 0.189,1299 195.905,1300 333.21,1301 469.767,1302 13346,1304 16.778,1305 0.699,1306 0.628,1307 16.778,1308 15.073,1309 11.775,1310 0.453,1311 0.377,1312 9.733,1313 11.54,1314 9.504,1315 7.954,1316 11.775,1317 9.795,1318 9.944,1319 0.292,1320 0.214,1321 9.944,1322 7.262,1323 8.088,1324 0.184,1325 0.119,1326 8.088,1327 5.214,1328 6.699,1329 0.114,1330 0.064,1331 6.699,1332 3.762,1333 5.705,1334 0.074,1335 0.036,1336 5.705,1337 2.75,1338 0.309,1339 72.256,1340 0.238,1341 24.248,1342 0.484,1343 120,1344 237.381,1345 126.624,1346 233.459,1347 331.49,1348 222,1349 138,1350 252.342,1351 144.486,1352 256.157,1353 376.98,1354 244,1355 5.629} {0 CHEMBL111150,1 1.264,2 11.87,3 5.146,4 26.478,5 98.137,6 5.755,7 0.417,8 4.038,9 4.189,10 3.364,11 3.542,12 4.937,13 3.464,14 4.621,15 4.841,16 3.672,17 3.948,18 5.405,19 3.83,20 4.907,21 5.161,22 3.633,23 4.091,24 5.645,25 3.914,26 5.033,27 5.354,28 3.524,29 4.046,30 5.646,31 3.831,32 4.832,33 5.128,34 3.433,35 3.891,36 5.53,37 3.693,38 4.758,39 5.053,40 3.286,41 3.801,42 5.432,43 3.601,44 4.659,45 4.953,46 3.192,47 3.72,48 5.344,49 3.512,50 4.588,51 4.889,52 3.09,53 3.622,54 5.237,55 3.409,56 0.08,57 0.748,58 13.898,59 5.561,60 10.213,61 8.077,62 0.158,63 1.18,64 23.721,65 9.302,66 17.886,67 13.532,68 0.218,69 1.435,70 30.533,71 11.803,72 26.622,73 17.262,74 0.25,75 1.454,76 32.861,77 12.222,78 27.468,79 18.238,80 0.285,81 1.23,82 27.624,83 10.223,84 27.54,85 15.104,86 0.23,87 1.121,88 25.557,89 9.225,90 23.854,91 13.713,92 0.242,93 1.025,94 23.138,95 8.568,96 24.846,97 12.676,98 0.165,99 0.939,100 21.335,101 7.901,102 19.164,103 11.713,104 31,105 32,106 0.213,107 0.515,108 0.717,109 0.788,110 0.818,111 0.818,112 3.186,113 1.115,114 -4.79,115 -4.7,116 -4.42,119 36.4,120 3,121 6,123 1,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 12,172 3,176 4,178 14,180 1,182 3,186 4,189 10,191 1,193 2,197 1,199 9,201 1,203 2,206 1,207 1,208 1,210 1,211 9,213 1,215 1,220 1,222 8,224 1,226 1,228 1,229 1,231 2,233 6,235 1,237 3,242 1,244 6,254 2,256 6,258 1,259 806,260 15.215,261 15.215,262 15.215,263 15.215,264 15.215,265 14.085,266 8.779,267 9.359,268 15.425,269 11.858,270 11.858,271 11.858,272 11.858,273 11.858,274 10.092,275 7.285,276 4.415,277 12.193,278 4.517,279 2.727,280 1.528,281 1.105,282 0.932,283 0.932,284 3.85,288 1,289 1,290 558,291 4.123,294 59.984,295 66.828,298 105.502,302 1.887,303 12.279,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 48,315 273,316 4.55,317 3.186,318 6.546,319 4.098,320 3.098,321 4.504,322 0.86,323 10.36,324 3.098,325 4.098,326 3.098,327 6.394,328 4.076,329 3.092,330 3.129,332 9.951,333 3.042,334 3.715,335 2.774,336 5.317,337 3.327,338 2.387,339 3.098,341 6.863,342 2.242,343 3.346,344 2.171,345 5.096,346 2.95,347 1.979,348 2.675,350 5.914,351 1.912,352 2.822,353 1.843,354 4.159,355 2.781,356 1.789,357 1.871,359 3.675,360 1.773,361 2.735,362 1.494,363 3.844,364 2.318,365 1.349,366 1.794,368 3.487,369 1.305,370 2.383,371 1.386,372 3.496,373 2.26,374 1.282,375 1.369,377 2.706,378 1.249,379 2.274,380 1.152,381 3.322,382 2.013,383 1.059,384 1.245,386 2.092,387 1.007,388 1.977,389 0.876,390 3.089,391 1.674,392 0.722,393 0.867,395 1.498,396 0.683,397 1.67,398 0.69,399 3,400 1.505,401 0.549,402 0.618,404 1.157,405 0.522,406 1.108,407 0.142,408 2.611,409 0.935,410 -0.019,411 -0.02,413 -0.042,414 -0.018,415 0.795,416 -0.12,417 2.263,418 0.592,419 -0.362,420 -0.407,422 -0.67,423 -0.344,424 0.662,425 -0.449,426 2,427 0.314,428 -0.654,429 -0.723,431 -1.438,432 -0.626,433 0.429,434 -0.859,435 2,436 0.107,437 -0.88,438 -1,440 -2.166,441 -0.869,442 0.164,443 -0.922,444 2,446 -1,447 -1,449 -2.674,450 -0.968,451 11.133,452 0.484,453 0.593,454 0.026,455 21.75,456 0.946,457 8.5,458 0.37,459 13.25,460 0.576,461 24.829,462 1.08,463 27.267,464 0.496,465 12.111,466 0.527,467 3.521,468 0.153,469 7.473,470 0.325,471 0.171,472 0.045,473 0.18,479 1.07,480 1.323,481 1.122,482 1.251,483 1.28,484 1.194,485 1.122,486 1.142,487 1.026,488 1.107,489 0.833,490 1.068,491 1.143,492 1.217,493 1.161,494 1.229,495 1.017,496 1.207,497 0.883,498 0.881,499 0.834,500 0.873,501 0.7,502 0.855,503 0.898,504 1,505 0.957,506 1.034,507 0.844,508 1.009,509 1.447,510 0.967,511 1.047,512 0.97,513 1.198,514 0.983,515 1.125,516 0.992,517 1.046,518 1.023,519 0.948,520 1.034,521 1.069,522 1.039,523 0.998,524 1.06,525 0.861,526 1.032,527 5,528 0.107,529 2,530 1.104,531 0.813,532 0.507,533 0.299,534 0.206,535 0.113,536 0.15,537 6171,538 10313,539 1.961,540 58.2,541 17,542 7,543 1,545 3,547 4,550 1.648,551 1.828,552 3.493,553 0.903,559 69.536,560 1.264,561 3.055,562 4.254,563 4.676,564 4.849,565 4.849,566 2.947,567 4.23,568 4.493,569 3.728,570 943.173,571 7.687,572 11761.2,577 317.975,578 1.51,579 4.439,580 0.208,581 0.007,582 0.063,583 0.039,584 0.033,585 0.023,586 0.016,587 0.012,588 0.008,589 0.011,590 0.419,591 0.5,592 1,593 2.428,594 111.998,595 -0.025,596 0.023,597 0.027,598 0.012,599 -0.131,600 0.025,601 -0.019,602 0.011,603 0.044,604 0.027,605 0.112,606 0.039,607 -0.067,608 -0.163,609 -0.139,610 -0.163,611 -0.081,612 -0.159,613 0.037,614 0.029,615 0.112,616 0.071,617 0.072,618 0.094,619 0.181,620 -0.036,621 0.027,622 -0.058,623 0.129,624 -0.033,625 -0.103,626 -0.019,627 -0.047,628 -0.007,629 -0.096,630 -0.022,631 0.049,632 -0.033,633 -0.056,634 -0.046,635 0.043,636 -0.06,637 0.003,638 -0.098,639 -0.026,640 -0.091,641 0.023,642 -0.063,643 0.827,644 2.419,645 0.391,646 23.611,647 0.978,648 1.135,649 3.56,650 12.676,651 0.616,652 3.219,653 3.497,654 3.611,655 3.829,656 3.97,657 4.007,658 4.06,659 4.078,660 3.932,661 3.912,662 7.152,663 0.557,664 316.54,665 3.219,666 4.727,667 5.517,668 6.375,669 7.194,670 8.06,671 8.895,672 9.766,673 10.612,674 11.486,675 3.6,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 55,716 10,717 1,718 24,720 56,721 20,722 8,723 3,724 3,730 2,731 3,736 4,737 1,743 6,745 8,746 12,764 32,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 3,827 23,828 1,833 8,835 1,839 1,847 1.8,852 1,854 12.583,855 10.333,856 5.181,857 3.59,858 2.04,859 1.309,860 0.927,861 6.822,862 8.631,863 3.401,864 3.937,865 4.45,866 5.051,867 5.528,868 5.836,869 6.176,870 6.473,871 6.2,872 6.159,873 0.875,874 28,875 8.538,877 3.396,878 7.409,879 17.142,881 13.895,883 1.909,884 43.917,885 0.001,887 1,888 341.362,889 99.003,890 49.683,892 11,895 99.003,896 352.362,897 49.683,898 26.476,899 54.802,900 37.476,902 38.787,903 13.915,904 329.591,906 341.362,907 148.686,908 11,911 294.278,912 58.084,915 98.064,916 50.622,919 341.362,920 60.683,921 99.003,924 341.362,925 35.051,926 63.952,927 16.786,928 43.897,929 341.362,930 60.683,931 99.003,933 0.565,934 0.288,935 0.153,936 0.084,937 13,938 6,939 0.179,940 10,941 1,942 1.222,943 3.64,944 160.424,945 0.222,946 9,947 99.287,951 18.187,952 8.628,953 6.096,954 2.39,955 43.897,956 8.325,958 3.292,961 2.236,963 49.683,964 501.048,965 29,975 53.785,976 62.434,977 0.219,978 0.528,979 0.736,980 0.809,981 0.839,982 0.839,983 4.62,984 1.059,985 5.517,986 2.706,987 4.174,988 4.62,989 0.908,990 6.297,991 4.126,992 5.81,993 0.722,994 7.059,995 2.092,996 3.892,997 4.527,999 7.434,1000 3.854,1001 7.117,1002 0.549,1003 8.716,1004 1.498,1005 5.796,1006 6.826,1007 0.739,1008 10.338,1009 5.72,1010 8.466,1011 -0.019,1012 10.442,1013 1.157,1014 6.33,1015 7.598,1017 12.248,1018 6.27,1019 9.851,1020 -0.362,1021 12.211,1022 -0.042,1023 7.747,1024 9.419,1025 0.593,1026 14.75,1027 7.662,1028 11.261,1029 -0.654,1030 14.008,1031 -0.67,1032 8.626,1033 10.588,1035 16.922,1036 8.551,1037 12.69,1038 -0.88,1039 15.824,1040 -1.438,1041 9.863,1042 12.221,1043 0.469,1044 19.305,1045 9.773,1046 3.098,1047 -1,1048 17.652,1049 -2.166,1050 10.887,1051 13.576,1053 21.57,1054 10.802,1055 3.092,1056 10.36,1057 19.49,1058 -2.674,1059 12.055,1060 15.132,1061 0.366,1062 23.914,1063 11.96,1064 2.387,1065 9.951,1066 21.335,1067 4.504,1068 13.14,1069 16.572,1071 26.214,1072 13.045,1073 1.979,1074 6.863,1075 23.185,1076 3.129,1077 14.283,1078 18.097,1079 0.283,1080 28.545,1081 14.18,1082 1.789,1083 5.914,1084 25.039,1085 3.098,1086 15.393,1087 19.573,1089 30.859,1090 15.288,1091 1.349,1092 3.675,1093 26.896,1094 2.675,1095 16.527,1096 21.086,1097 0.217,1098 33.186,1099 16.415,1100 1.282,1101 3.487,1102 28.755,1103 1.871,1104 17.648,1105 22.578,1107 35.506,1108 17.531,1109 6290,1110 8329,1111 15.485,1112 33.887,1113 34.974,1114 35.061,1115 35.195,1116 34.587,1117 34.612,1118 42.337,1119 1.72,1120 95.405,1121 33.667,1122 5.496,1123 5.186,1124 6.399,1125 5.158,1126 5.098,1127 7.504,1128 1.72,1129 17.015,1130 5.098,1131 12.902,1132 1.457,1133 1.461,1134 1.466,1135 1.441,1136 1.442,1137 1.764,1138 0.072,1139 3.975,1140 1.403,1141 4.131,1142 4.163,1143 4.088,1144 4.044,1145 5.037,1146 4.051,1147 3.841,1148 3.901,1149 3.691,1150 3.734,1151 4.958,1152 3.716,1153 3.664,1154 3.723,1155 3.521,1156 3.521,1157 4.583,1158 3.509,1159 3.549,1160 3.621,1161 3.402,1162 3.411,1163 4.354,1164 3.403,1165 3.386,1166 3.458,1167 3.23,1168 3.169,1169 4.096,1170 3.169,1171 3.246,1172 3.329,1173 3.052,1174 3.067,1175 3.933,1176 3.056,1177 2.958,1178 3.034,1179 2.812,1180 2.797,1181 3.756,1182 2.792,1183 2.874,1184 3.009,1185 2.605,1186 2.631,1187 3.511,1188 2.607,1189 0.19,1190 0.133,1191 0.273,1192 0.171,1193 0.129,1194 4.55,1195 0.188,1196 3.186,1197 0.036,1198 6.546,1199 0.432,1200 4.098,1201 0.129,1202 3.098,1203 4.504,1204 0.86,1205 10.36,1206 3.098,1207 1.937,1208 1.919,1209 2.081,1210 2.03,1211 1.419,1212 2.036,1213 1.845,1214 1.79,1215 2.022,1216 1.985,1217 1.241,1218 2.012,1219 1.668,1220 1.608,1221 1.929,1222 1.847,1223 1.215,1224 1.873,1225 1.645,1226 1.584,1227 1.85,1228 1.835,1229 1.016,1230 1.851,1231 1.346,1232 1.274,1233 1.659,1234 1.599,1235 0.921,1236 1.611,1237 1.273,1238 1.184,1239 1.521,1240 1.531,1241 0.562,1242 1.55,1243 0.995,1244 0.937,1245 1.417,1246 1.246,1247 0.549,1248 1.308,1249 0.934,1250 0.804,1251 1.417,1252 1.239,1253 0.469,1254 1.308,1255 3.892,1257 5.176,1258 2.398,1259 6.629,1260 4.727,1261 8.169,1262 6.823,1263 9.761,1265 6.935,1269 5.669,1271 8.689,1273 5.919,1277 0.462,1280 30.66,1281 69.536,1282 168.004,1283 233.962,1284 257.181,1285 266.691,1286 266.691,1287 41.912,1288 6.592,1289 51.04,1290 51.04,1291 11,1292 12.033,1293 3.459,1294 2.585,1295 45.881,1296 98,1297 85,1298 0.224,1299 193.706,1300 328.27,1301 464.402,1302 6133,1304 16.709,1305 0.726,1306 0.65,1307 16.709,1308 14.952,1309 10.993,1310 0.458,1311 0.372,1312 8.858,1313 10.743,1314 8.489,1315 7.202,1316 10.993,1317 8.924,1318 10.096,1319 0.316,1320 0.239,1321 10.096,1322 7.633,1323 6.869,1324 0.191,1325 0.118,1326 6.869,1327 4.242,1328 5.547,1329 0.123,1330 0.065,1331 5.547,1332 2.911,1333 4.244,1334 0.082,1335 0.036,1336 4.244,1337 1.881,1338 0.369,1339 67.676,1340 0.254,1341 23.462,1342 0.568,1343 112,1344 227.381,1345 117.958,1346 224.94,1347 312,1348 212,1349 124,1350 230.849,1351 129.82,1352 238.662,1353 343.27,1354 223,1355 7.796} {0 CHEMBL111184,1 1.35,2 6.636,3 3.69,4 13.615,5 90.962,6 6.692,7 0.48,8 3.878,9 4.002,10 3.385,11 3.435,12 4.831,13 3.394,14 4.464,15 4.658,16 3.747,17 3.861,18 5.309,19 3.803,20 4.737,21 4.932,22 3.948,23 4.136,24 5.552,25 4.046,26 4.931,27 5.16,28 3.953,29 4.226,30 5.687,31 4.104,32 5.013,33 5.256,34 3.925,35 4.237,36 5.786,37 4.108,38 4.93,39 5.186,40 3.62,41 4.102,42 5.689,43 3.918,44 4.805,45 5.119,46 3.109,47 3.786,48 5.469,49 3.533,50 4.351,51 4.704,52 2.16,53 3.157,54 4.934,55 2.838,56 0.042,57 0.627,58 10.248,59 4.258,60 8.062,61 5.918,62 0.19,63 1.079,64 19.537,65 6.859,66 15.405,67 9.844,68 0.244,69 1.411,70 25.36,71 9.949,72 17.751,73 14.137,74 0.191,75 1.624,76 31.077,77 12.343,78 21.243,79 17.619,80 0.308,81 1.709,82 34.512,83 12.86,84 28.266,85 18.281,86 0.284,87 1.53,88 31.615,89 12.473,90 29.748,91 17.767,92 0.204,93 1.259,94 28.439,95 10.996,96 28.333,97 15.964,98 0.199,99 0.745,100 18.574,101 6.607,102 21.066,103 9.698,104 6,105 36,106 0.236,107 0.527,108 0.73,109 0.838,110 0.876,111 0.884,112 3.15,113 0.956,114 -4.27,115 -4.21,116 -3.97,119 43.2,121 1,124 2,125 3,127 1,140 7,141 3,142 2,169 11,172 3,178 12,181 2,182 8,189 10,193 7,199 7,203 7,211 7,214 1,215 5,222 5,226 3,233 3,259 474,260 15.301,261 15.301,262 15.301,263 15.301,264 15.301,265 13.846,266 21.942,267 8.939,268 15.675,269 12.307,270 12.307,271 12.307,272 12.307,273 12.307,274 10.084,275 33.846,276 4.152,277 12.821,278 4.11,279 2.441,280 1.277,281 0.66,282 0.443,283 0.398,284 3.852,287 1,288 1,289 1,290 322,291 2.236,295 95.506,296 31.716,300 163.808,302 0.851,303 9.438,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46,315 146,316 4.549,317 3.611,318 6.998,319 4.273,320 3.31,321 4.131,322 0.916,323 11.968,324 3.192,325 4.19,326 3.077,327 6.434,328 3.818,329 2.838,330 3.798,331 0.86,332 9.9,333 2.78,334 3.675,335 2.855,336 5.784,337 3.498,338 2.54,339 2.793,340 0.8,341 7.895,342 2.43,343 3.341,344 2.489,345 5.174,346 3.039,347 2.097,348 2.589,349 0.68,350 6.086,351 1.972,352 3.13,353 2.403,354 4.966,355 2.926,356 2,357 2.191,358 0.172,359 5.752,360 1.845,361 2.934,362 1.751,363 4.571,364 2.564,365 1.579,366 2.095,368 4.323,369 1.552,370 2.866,371 1.525,372 4.02,373 2.421,374 1.426,375 2.014,377 3.193,378 1.418,379 2.568,380 1.3,381 3.74,382 2.184,383 1.203,384 1.589,386 2.845,387 1.176,388 2.178,389 1.097,390 3.585,391 1.983,392 1,393 1.147,395 2.537,396 0.982,397 1.696,398 1.062,399 3.198,400 1.47,401 0.587,402 0.634,404 1.131,405 0.512,406 1.391,407 0.442,408 2.859,409 1.118,410 0.14,411 0.167,413 0.326,414 0.136,415 1.155,416 0.279,417 2.639,418 0.954,424 0.743,425 -0.225,426 2.388,427 0.466,428 -0.502,429 -0.556,431 -1.248,432 -0.483,433 0.623,434 -0.297,435 2.277,436 0.27,437 -0.664,438 -0.797,440 -1.44,441 -0.61,442 0.584,443 -0.516,444 2.14,445 0.212,446 -0.768,447 -0.932,449 -1.981,450 -0.745,451 10.633,452 0.483,453 0.483,454 0.022,455 27.5,456 1.25,457 13,458 0.591,459 14.5,460 0.659,461 18.716,462 0.851,463 23.567,464 0.536,465 18.544,466 0.843,467 5.497,468 0.25,469 5.278,470 0.24,471 0.094,473 0.357,479 0.904,480 1.388,481 0.863,482 1.142,483 0.848,484 1.019,485 1.587,486 0.93,487 0.977,488 0.778,489 1.12,490 0.803,491 0.888,492 1.072,493 1.015,494 1.041,495 0.824,496 1.035,497 0.85,498 1.131,499 0.981,500 1.091,501 0.815,502 1.053,503 1.372,504 0.988,505 1.079,506 0.986,507 1.217,508 1.003,509 0.956,510 1.102,511 1.167,512 1.182,513 1.11,514 1.197,515 0.768,516 0.989,517 0.992,518 1.067,519 0.909,520 1.057,521 1.224,522 0.667,523 0.978,524 0.764,525 1.378,526 0.842,527 3.5,529 2.444,530 1.875,531 1.759,532 0.83,533 0.594,534 0.189,535 0.052,537 4191,538 8406,539 2.176,540 50,541 2,542 20,550 1.658,551 2.063,552 2.742,553 -0.851,555 1,557 1,559 59.397,560 1.35,561 3.018,562 4.183,563 4.8,564 5.016,565 5.061,566 1.929,567 4.096,568 4.435,569 2.81,570 649.172,571 7.684,572 6808.24,574 1,576 1,577 240.215,578 1.322,579 4.403,580 0.14,582 0.068,583 0.044,584 0.042,585 0.021,586 0.022,587 0.014,588 0.013,590 0.363,591 0.83,592 1,593 0.72,594 96.175,595 0.061,596 -0.226,597 0.097,598 -0.082,599 0.08,600 -0.006,601 -0.198,602 0.208,603 0.035,604 0.192,605 -0.095,606 0.147,607 0.072,608 0.026,609 -0.046,610 -0.035,611 -0.009,612 -0.049,613 0.001,614 -0.117,615 -0.019,616 -0.09,617 0.023,618 -0.061,619 -0.138,620 0.01,621 -0.084,622 -0.014,623 -0.11,624 -0.039,625 -0.013,626 -0.15,627 -0.2,628 -0.197,629 -0.073,630 -0.214,631 0.031,632 -0.124,633 -0.025,634 -0.109,635 0.083,636 -0.078,637 -0.117,638 0.149,639 0.025,640 0.15,641 -0.165,642 0.106,643 0.924,644 2.188,645 0.864,646 12.769,647 0.986,648 1.122,649 3.04,650 9.244,651 0.661,652 3.258,653 3.611,654 3.97,655 4.331,656 4.663,657 4.828,658 5.011,659 5.136,660 5.215,661 5.293,662 4.234,663 0.614,664 294.43,665 3.258,666 4.812,667 5.7,668 6.613,669 7.525,670 8.447,671 9.365,672 10.29,673 11.211,674 12.136,675 4.5,678 1,681 1,688 7,693 5,695 12,709 1,712 1,714 44,716 12,717 2,718 25,720 47,721 19,722 12,723 5,724 7,730 4,731 11,740 2,743 2,745 12,746 7,760 1,761 1,764 22,765 3,767 3,773 2,777 0.25,778 1,793 3,794 1,798 3,815 1,819 1,823 2,827 22,833 4,835 1,837 1,838 2,847 2.3,852 1,854 10.667,855 8.483,856 4.833,857 2.651,858 2.535,859 1.332,860 1.006,861 3.493,862 10.174,863 3.466,864 4.043,865 4.63,866 5.208,867 5.762,868 6.013,869 6.416,870 6.802,871 7.157,872 7.471,873 0.6,874 43,875 8.152,877 3.462,878 7.371,879 16.318,881 13.985,883 1.871,884 41.167,885 0.001,887 1,888 258.964,889 112.022,890 6.249,892 11,895 112.022,896 269.964,897 6.249,898 19.279,899 8.852,900 66.334,902 34.805,904 258.964,906 258.964,907 118.27,908 11,911 258.964,912 11,915 11.976,916 106.294,919 258.964,920 17.249,921 112.022,924 258.964,925 26.409,926 91.862,928 11,929 258.964,930 17.249,931 112.022,933 0.58,934 0.358,935 0.217,936 0.131,937 20,938 8,939 0.021,940 1,941 3,942 1.316,943 3.26,944 194.908,945 0.316,946 19,947 98.107,951 13.951,952 5.508,953 2.297,955 17.249,956 15.33,961 6.574,964 388.234,965 31,975 43.367,976 49.358,977 0.247,978 0.553,979 0.766,980 0.879,981 0.919,982 0.927,983 4.727,984 1.203,985 5.694,986 3.193,987 4.29,988 4.727,989 1.77,990 6.572,991 4.217,992 5.912,993 1,994 7.286,995 2.845,996 3.892,997 4.46,998 0.57,999 7.603,1000 3.769,1001 7.219,1002 0.587,1003 8.982,1004 2.537,1005 5.932,1006 6.859,1007 1.371,1008 10.778,1009 5.791,1010 8.56,1011 0.14,1012 10.743,1013 1.131,1014 6.382,1015 7.431,1016 0.581,1017 12.667,1018 6.193,1019 9.937,1021 12.545,1022 0.326,1023 7.881,1024 9.305,1025 1.092,1026 15.362,1027 7.676,1028 11.34,1029 -0.502,1030 14.377,1032 8.728,1033 10.28,1034 0.515,1035 17.593,1036 8.479,1037 12.763,1038 -0.664,1039 16.229,1040 -1.248,1041 10.017,1042 11.921,1043 0.879,1044 20.133,1045 9.746,1046 3.31,1047 -0.768,1048 18.097,1049 -1.44,1050 11.049,1051 13.099,1052 0.441,1053 22.504,1054 10.736,1055 2.838,1056 11.968,1057 19.977,1058 -1.981,1059 12.26,1060 14.625,1061 0.71,1062 24.993,1063 11.919,1064 2.54,1065 9.9,1066 21.867,1067 4.131,1068 13.375,1069 15.907,1070 0.373,1071 27.422,1072 12.994,1073 2.097,1074 7.895,1075 23.765,1076 3.798,1077 14.562,1078 17.375,1079 0.575,1080 29.897,1081 14.149,1082 2,1083 6.086,1084 25.669,1085 2.793,1086 15.715,1087 18.711,1088 0.314,1089 32.352,1090 15.263,1091 1.579,1092 5.752,1093 27.579,1094 2.589,1095 16.896,1096 20.149,1097 0.467,1098 34.825,1099 16.41,1100 1.426,1101 4.323,1102 29.492,1103 2.191,1104 18.067,1105 21.516,1106 0.264,1107 37.291,1108 17.542,1109 4012,1110 5750,1111 17.107,1112 29.08,1113 37.756,1114 37.871,1115 39.342,1116 37.468,1117 37.442,1118 46.295,1119 6.858,1120 111.913,1121 35.992,1122 5.549,1123 5.611,1124 6.68,1125 5.341,1126 5.31,1127 7.131,1128 1.776,1129 19.529,1130 5.192,1131 8.051,1132 1.51,1133 1.515,1134 1.574,1135 1.499,1136 1.498,1137 1.852,1138 0.274,1139 4.477,1140 1.44,1141 4.078,1142 4.111,1143 4.024,1144 4.001,1145 4.878,1146 4.002,1147 3.809,1148 3.832,1149 3.75,1150 3.748,1151 4.704,1152 3.745,1153 3.71,1154 3.781,1155 3.592,1156 3.53,1157 4.377,1158 3.536,1159 3.283,1160 3.34,1161 3.128,1162 3.092,1163 4.319,1164 3.087,1165 3.195,1166 3.291,1167 3.037,1168 2.997,1169 3.892,1170 2.99,1171 3.126,1172 3.206,1173 2.922,1174 2.958,1175 3.766,1176 2.945,1177 3.103,1178 3.179,1179 2.917,1180 2.9,1181 3.629,1182 2.891,1183 2.757,1184 2.851,1185 2.563,1186 2.617,1187 3.444,1188 2.594,1189 0.182,1190 0.144,1191 0.28,1192 0.171,1193 0.132,1194 4.549,1195 0.165,1196 3.611,1197 0.037,1198 6.998,1199 0.479,1200 4.273,1201 0.128,1202 3.31,1203 4.131,1204 0.916,1205 11.968,1206 3.192,1207 1.959,1208 1.936,1209 2.071,1210 2.066,1211 1.35,1212 2.065,1213 1.919,1214 1.888,1215 2.03,1216 2.025,1217 1.253,1218 2.034,1219 1.65,1220 1.585,1221 1.852,1222 1.83,1223 1.006,1224 1.841,1225 1.241,1226 1.185,1227 1.579,1228 1.525,1229 0.78,1230 1.542,1231 1.175,1232 1.088,1233 1.535,1234 1.446,1235 0.632,1236 1.48,1237 1.158,1238 1.083,1239 1.462,1240 1.345,1241 0.625,1242 1.389,1243 1.131,1244 1.046,1245 1.435,1246 1.324,1247 0.557,1248 1.367,1249 0.79,1250 0.726,1251 1.112,1252 1.014,1253 0.281,1254 1.052,1255 3.932,1257 5.273,1259 6.832,1260 2.708,1261 8.492,1262 5.46,1263 10.204,1265 3.993,1271 4.187,1273 5.688,1275 0.41,1276 4.984,1280 27.026,1281 59.397,1282 132.799,1283 184.034,1284 211.195,1285 220.705,1286 222.705,1287 23.756,1288 7.639,1289 15.71,1290 15.71,1291 25,1292 12.642,1293 3.7,1294 2.807,1295 29.427,1296 59,1297 51,1298 0.271,1299 163.472,1300 280.97,1301 390.631,1302 20619,1304 15.104,1305 0.687,1306 0.602,1307 15.104,1308 13.25,1309 10.775,1310 0.431,1311 0.319,1312 7.861,1313 10.422,1314 7.596,1315 6.291,1316 10.775,1317 7.965,1318 9.627,1319 0.267,1320 0.175,1321 9.627,1322 6.315,1323 8.598,1324 0.165,1325 0.096,1326 8.598,1327 4.968,1328 7.762,1329 0.103,1330 0.052,1331 7.762,1332 3.88,1333 6.986,1334 0.067,1335 0.029,1336 6.986,1337 3.077,1338 0.392,1339 67.001,1340 0.242,1341 20.541,1342 0.862,1343 122,1344 275.026,1345 129.375,1346 268.406,1347 382.03,1348 256,1349 149,1350 288.475,1351 158.096,1352 297.743,1353 440.62,1354 279,1355 5.833} {0 CHEMBL111283,1 1.279,2 11.727,3 4.94,4 24.399,5 93.662,6 5.817,7 0.435,8 3.986,9 4.136,10 3.322,11 3.49,12 4.888,13 3.415,14 4.563,15 4.781,16 3.592,17 3.879,18 5.352,19 3.757,20 4.838,21 5.111,22 3.571,23 3.986,24 5.55,25 3.816,26 4.861,27 5.157,28 3.479,29 3.941,30 5.527,31 3.751,32 4.764,33 5.056,34 3.388,35 3.825,36 5.474,37 3.633,38 4.683,39 4.975,40 3.233,41 3.729,42 5.37,43 3.536,44 4.577,45 4.867,46 3.134,47 3.642,48 5.277,49 3.44,50 4.5,51 4.798,52 3.011,53 3.545,54 5.149,55 3.337,56 0.076,57 0.71,58 13.107,59 5.214,60 9.268,61 7.578,62 0.151,63 1.109,64 22.375,65 8.687,66 16.661,67 12.662,68 0.216,69 1.303,70 28.272,71 10.672,72 24.281,73 15.699,74 0.219,75 1.282,76 28.437,77 10.521,78 23.646,79 15.663,80 0.277,81 1.153,82 25.993,83 9.52,84 26.291,85 14.085,86 0.223,87 1.044,88 23.937,89 8.52,90 22.674,91 12.686,92 0.235,93 0.948,94 21.501,95 7.859,96 23.48,97 11.647,98 0.162,99 0.865,100 19.663,101 7.227,102 17.52,103 10.729,104 24,105 29,106 0.218,107 0.529,108 0.749,109 0.825,110 0.857,111 0.857,112 3.144,113 1.126,114 -4.56,115 -4.49,116 -4.22,119 36.5,120 2,121 6,122 1,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 11,172 3,176 4,178 11,180 1,182 3,186 4,189 9,191 1,193 2,197 1,199 8,201 1,203 2,206 1,207 1,208 1,210 1,211 8,213 1,215 1,220 1,222 7,224 1,226 1,228 1,229 1,231 2,233 6,235 1,237 2,242 1,244 6,254 2,256 6,258 1,259 736,260 14.974,261 14.974,262 14.974,263 14.974,264 14.974,265 13.845,266 8.779,267 9.451,268 15.184,269 11.363,270 11.363,271 11.363,272 11.363,273 11.363,274 9.597,275 7.285,276 4.473,277 11.698,278 4.421,279 2.599,280 1.312,281 0.866,282 0.683,283 0.683,284 3.811,288 1,289 1,290 529,291 3.742,294 56.017,295 62.477,298 98.671,302 1.843,303 11.504,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 46,315 258,316 4.55,317 3.186,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 3.715,326 2.774,327 5.317,328 3.327,329 2.388,330 3.129,332 6.863,333 2.245,334 3.347,335 2.236,336 5.096,337 3.235,338 2.235,339 2.675,341 5.914,342 2.232,343 3.236,344 2.17,345 4.659,346 2.949,347 1.978,348 2.236,350 5.184,351 1.91,352 2.796,353 1.819,354 4.159,355 2.743,356 1.752,357 1.865,359 3.627,360 1.734,361 2.726,362 1.453,363 3.8,364 2.31,365 1.336,366 1.764,368 3.458,369 1.299,370 2.362,371 1.382,372 3.385,373 2.218,374 1.248,375 1.34,377 2.57,378 1.204,379 2.244,380 1.148,381 3.286,382 2.009,383 1.054,384 1.222,386 2.077,387 1.004,388 1.972,389 0.842,390 3.03,391 1.656,392 0.702,393 0.858,395 1.429,396 0.666,397 1.631,398 0.673,399 2.816,400 1.481,401 0.526,402 0.581,404 1.095,405 0.499,406 1.091,407 0.123,408 2.37,409 0.916,410 -0.04,411 -0.043,413 -0.086,414 -0.038,415 0.784,416 -0.132,417 2.158,418 0.587,419 -0.368,420 -0.412,422 -0.674,423 -0.349,424 0.661,425 -0.455,426 2,427 0.31,428 -0.658,429 -0.728,431 -1.421,432 -0.63,433 0.426,434 -0.86,435 1.87,436 0.106,437 -0.881,438 -1,440 -2,441 -0.87,442 0.161,443 -0.923,444 1.651,446 -1,447 -1.093,449 -2.116,450 -0.968,451 10.633,452 0.483,453 0.383,454 0.017,455 21.25,456 0.966,457 8.5,458 0.386,459 12.75,460 0.58,461 22.021,462 1.001,463 25.967,464 0.499,465 11.861,466 0.539,467 3.521,468 0.16,469 7.182,470 0.326,471 0.132,473 0.235,479 1.068,480 1.314,481 1.107,482 1.238,483 1.232,484 1.178,485 1.14,486 1.205,487 1.081,488 1.175,489 0.894,490 1.133,491 1.125,492 1.05,493 1.003,494 1.044,495 0.916,496 1.023,497 1.005,498 0.992,499 0.939,500 0.983,501 0.796,502 0.962,503 0.911,504 1.002,505 0.959,506 1.038,507 0.857,508 1.011,509 1.484,510 0.967,511 1.057,512 0.969,513 1.235,514 0.984,515 1.159,516 0.995,517 1.057,518 1.026,519 0.971,520 1.039,521 1.15,522 1.004,523 1.021,524 1.026,525 0.94,526 1.02,527 3.5,528 0.074,529 1.778,530 0.979,531 0.733,532 0.452,533 0.258,534 0.174,535 0.089,536 0.11,537 5432,538 9238,539 1.995,540 57.7,541 15,542 7,543 1,545 3,547 4,550 1.636,551 1.886,552 3.499,553 0.935,559 66.506,560 1.279,561 3.101,562 4.388,563 4.835,564 5.018,565 5.018,566 2.959,567 4.278,568 4.424,569 3.689,570 852.26,571 7.558,572 10180.5,574 1,577 296.423,578 1.293,579 4.398,580 0.152,581 0.006,582 0.061,583 0.036,584 0.031,585 0.022,586 0.014,587 0.011,588 0.006,589 0.008,590 0.348,591 0.5,592 1,593 2.44,594 105.244,595 -0.029,596 0.025,597 0.028,598 0.013,599 -0.095,600 0.027,601 -0.036,602 -0.058,603 -0.02,604 -0.047,605 0.055,606 -0.034,607 -0.032,608 -0.045,609 -0.001,610 -0.02,611 0.004,612 -0.01,614 -0.031,615 0.037,616 -0.001,617 0.031,618 0.018,619 0.182,620 -0.038,621 0.026,622 -0.063,623 0.133,624 -0.037,625 -0.114,626 -0.02,627 -0.053,628 -0.008,629 -0.106,630 -0.025,631 0.045,632 -0.036,633 -0.065,634 -0.05,635 0.047,636 -0.067,637 -0.048,638 -0.063,639 -0.045,640 -0.058,641 -0.033,642 -0.052,643 0.825,644 2.399,645 0.409,646 22.678,647 0.979,648 1.135,649 3.333,650 11.108,651 0.618,652 3.178,653 3.401,654 3.584,655 3.807,656 3.951,657 3.989,658 4.043,659 4.06,660 3.912,661 3.871,662 6.897,663 0.56,664 302.51,665 3.178,666 4.654,667 5.451,668 6.286,669 7.116,670 7.967,671 8.814,672 9.676,673 10.535,674 11.404,675 3.8,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 52,716 10,717 1,718 23,720 53,721 19,722 8,723 3,724 3,730 2,731 3,736 3,743 6,745 8,746 11,747 1,764 30,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 2,827 22,828 1,833 8,835 1,837 1,847 1.9,852 1,854 11.667,855 9.417,856 5.139,857 3.549,858 2.048,859 1.314,860 0.941,861 7.107,862 8.567,863 3.367,864 3.876,865 4.438,866 5.045,867 5.524,868 5.833,869 6.174,870 6.472,871 6.198,872 6.153,873 0.875,874 27,875 8.166,877 3.235,878 7.409,879 16.406,881 13.199,883 1.909,884 42,885 0.001,887 1,888 317.82,889 90.178,890 49.683,892 11,895 90.178,896 328.82,897 49.683,898 17.65,899 54.802,900 37.476,902 38.787,903 13.915,904 306.049,906 317.82,907 139.861,908 11,911 270.735,912 58.084,915 89.238,916 50.622,919 317.82,920 60.683,921 90.178,924 317.82,925 35.051,926 55.127,927 16.786,928 43.897,929 317.82,930 60.683,931 90.178,933 0.548,934 0.295,935 0.161,936 0.088,937 11,938 5,939 0.189,940 10,941 1,942 1.222,943 3.597,944 149.943,945 0.222,946 9,947 96.107,951 17.202,952 9.089,953 5.532,954 2.393,955 43.897,956 8.322,958 3.289,961 2.24,963 49.683,964 468.68,965 28,975 50.901,976 59.019,977 0.224,978 0.544,979 0.77,980 0.848,981 0.88,982 0.88,983 4.549,984 1.054,985 5.38,986 2.57,987 4.078,988 4.559,989 0.908,990 6.098,991 4.024,992 5.693,993 0.702,994 6.872,995 2.077,996 3.434,997 4.311,999 6.862,1000 3.374,1001 6.96,1002 0.526,1003 8.472,1004 1.429,1005 5.557,1006 6.747,1007 0.739,1008 9.962,1009 5.459,1010 8.276,1011 -0.04,1012 10.142,1013 1.095,1014 5.802,1015 7.476,1017 11.675,1018 5.699,1019 9.637,1020 -0.368,1021 11.861,1022 -0.086,1023 7.344,1024 9.355,1025 0.593,1026 14.273,1027 7.213,1028 11.033,1029 -0.658,1030 13.616,1031 -0.674,1032 8.042,1033 10.524,1035 16.369,1036 7.905,1037 12.455,1038 -0.881,1039 15.398,1040 -1.421,1041 9.333,1042 12.182,1043 0.469,1044 18.8,1045 9.175,1046 3.092,1047 -1,1048 17.2,1049 -2,1050 10.26,1051 13.544,1053 21.046,1054 10.094,1055 2.388,1056 10.36,1057 19.019,1058 -2.116,1059 11.446,1060 15.111,1061 0.366,1062 23.418,1063 11.264,1064 2.235,1065 6.863,1066 20.85,1067 4.504,1068 12.482,1069 16.556,1071 25.72,1072 12.289,1073 1.978,1074 5.914,1075 22.691,1076 3.129,1077 13.629,1078 18.086,1079 0.283,1080 28.071,1081 13.421,1082 1.752,1083 5.184,1084 24.54,1085 2.675,1086 14.715,1087 19.565,1089 30.395,1090 14.494,1091 1.336,1092 3.627,1093 26.396,1094 2.236,1095 15.847,1096 21.081,1097 0.217,1098 32.738,1099 15.612,1100 1.248,1101 3.458,1102 28.256,1103 1.865,1104 16.956,1105 22.575,1107 35.07,1108 16.707,1109 5545,1110 7408,1111 15.197,1112 32.126,1113 32.809,1114 32.935,1115 33.754,1116 32.615,1117 32.621,1118 40.346,1119 1.72,1120 85.157,1121 31.675,1122 5.49,1123 5.186,1124 6.411,1125 5.135,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 10.989,1132 1.426,1133 1.432,1134 1.468,1135 1.418,1136 1.418,1137 1.754,1138 0.075,1139 3.702,1140 1.377,1141 4.13,1142 4.162,1143 4.088,1144 4.044,1145 5.037,1146 4.051,1147 3.808,1148 3.871,1149 3.646,1150 3.69,1151 4.958,1152 3.67,1153 3.637,1154 3.698,1155 3.497,1156 3.488,1157 4.583,1158 3.477,1159 3.542,1160 3.617,1161 3.383,1162 3.405,1163 4.274,1164 3.393,1165 3.376,1166 3.449,1167 3.221,1168 3.156,1169 4.084,1170 3.158,1171 3.236,1172 3.32,1173 3.034,1174 3.058,1175 3.922,1176 3.043,1177 2.957,1178 3.034,1179 2.811,1180 2.797,1181 3.754,1182 2.792,1183 2.874,1184 3.009,1185 2.602,1186 2.63,1187 3.51,1188 2.606,1189 0.198,1190 0.139,1191 0.285,1192 0.177,1193 0.134,1194 4.55,1195 0.196,1196 3.186,1197 0.037,1198 6.546,1199 0.45,1200 4.076,1201 0.132,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.065,1210 2.03,1211 1.409,1212 2.032,1213 1.813,1214 1.754,1215 2.02,1216 1.963,1217 1.231,1218 1.996,1219 1.652,1220 1.594,1221 1.91,1222 1.846,1223 1.203,1224 1.858,1225 1.63,1226 1.564,1227 1.849,1228 1.813,1229 1.015,1230 1.843,1231 1.331,1232 1.257,1233 1.648,1234 1.593,1235 0.902,1236 1.602,1237 1.27,1238 1.181,1239 1.521,1240 1.524,1241 0.56,1242 1.546,1243 0.994,1244 0.936,1245 1.417,1246 1.246,1247 0.547,1248 1.308,1249 0.934,1250 0.804,1251 1.325,1252 1.239,1253 0.469,1254 1.269,1255 3.85,1257 5.094,1258 2.398,1259 6.518,1260 4.727,1261 8.041,1262 6.823,1263 9.63,1265 4.582,1269 5.66,1271 8.789,1273 5.899,1275 0.826,1280 29.133,1281 66.506,1282 161.262,1283 228.184,1284 251.403,1285 260.913,1286 260.913,1287 37.121,1288 6.519,1289 51.04,1290 51.04,1291 11,1292 11.951,1293 3.459,1294 2.585,1295 42.771,1296 89,1297 92,1298 0.23,1299 184.113,1300 310.97,1301 440.997,1302 5523,1304 15.786,1305 0.718,1306 0.638,1307 15.786,1308 14.029,1309 10.703,1310 0.465,1311 0.375,1312 8.568,1313 10.453,1314 8.291,1315 7.017,1316 10.703,1317 8.633,1318 8.968,1319 0.309,1320 0.224,1321 8.968,1322 6.505,1323 6.724,1324 0.192,1325 0.117,1326 6.724,1327 4.097,1328 5.444,1329 0.124,1330 0.064,1331 5.444,1332 2.808,1333 4.171,1334 0.082,1335 0.035,1336 4.171,1337 1.809,1338 0.376,1339 65.932,1340 0.257,1341 22.579,1342 0.585,1343 104,1344 219.381,1345 109.958,1346 215.367,1347 300.3,1348 204,1349 116,1350 222.849,1351 121.82,1352 227.489,1353 329.77,1354 215,1355 7.377} {0 CHEMBL111284,1 1.264,2 13.174,3 5.6,4 31.361,5 98.315,6 5.755,7 0.417,8 4.038,9 4.189,10 3.364,11 3.542,12 4.918,13 3.464,14 4.621,15 4.84,16 3.606,17 3.925,18 5.389,19 3.794,20 4.899,21 5.187,22 3.596,23 4.017,24 5.569,25 3.842,26 4.864,27 5.148,28 3.519,29 3.975,30 5.536,31 3.79,32 4.832,33 5.128,34 3.433,35 3.891,36 5.52,37 3.693,38 4.758,39 5.053,40 3.286,41 3.801,42 5.42,43 3.601,44 4.659,45 4.953,46 3.192,47 3.72,48 5.334,49 3.512,50 4.588,51 4.89,52 3.062,53 3.64,54 5.193,55 3.423,56 0.08,57 0.748,58 13.898,59 5.561,60 9.197,61 8.077,62 0.158,63 1.168,64 23.673,65 9.236,66 17.034,67 13.466,68 0.227,69 1.353,70 29.639,71 11.174,72 23.932,73 16.476,74 0.215,75 1.312,76 28.647,77 10.725,78 22.55,79 15.903,80 0.285,81 1.23,82 27.624,83 10.223,84 26.533,85 15.104,86 0.23,87 1.121,88 25.557,89 9.225,90 22.628,91 13.713,92 0.242,93 1.025,94 23.138,95 8.568,96 23.714,97 12.676,98 0.174,99 0.946,100 21.251,101 7.967,102 16.028,103 11.798,104 21,105 29,106 0.213,107 0.492,108 0.677,109 0.767,110 0.831,111 0.874,112 3.186,113 1.16,114 -5.7,115 -5.57,116 -5.19,119 36.4,120 1,121 9,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 12,172 3,176 4,178 11,180 1,182 3,186 4,189 10,191 1,193 2,197 1,199 9,201 1,203 2,206 1,207 1,208 1,210 1,211 9,213 1,215 1,220 1,222 8,224 1,226 1,228 1,229 1,231 2,233 8,235 1,237 1,242 1,244 7,249 1,254 2,256 6,258 1,259 853,260 16.104,261 16.104,262 16.104,263 16.104,264 16.104,265 14.975,266 8.779,267 10.485,268 16.314,269 11.846,270 11.846,271 11.846,272 11.846,273 11.846,274 10.08,275 7.285,276 4.949,277 12.181,278 4.517,279 2.866,280 1.764,281 1.232,282 0.85,283 0.596,284 3.858,289 1,290 624,291 3.742,294 60.165,295 67.103,298 105.868,302 2.008,303 10.974,306 0.75,307 0.83,308 0.83,309 1,310 1,311 0.83,312 0.5,313 0.82,314 48,315 303,316 4.55,317 3.186,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 3.715,326 2.774,327 5.317,328 3.327,329 2.387,330 3.129,332 6.863,333 2.242,334 3.346,335 2.172,336 5.096,337 2.955,338 1.981,339 2.675,341 5.914,342 1.929,343 2.921,344 1.925,345 4.159,346 2.903,347 1.908,348 1.926,350 3.826,351 1.889,352 2.756,353 1.741,354 3.915,355 2.666,356 1.675,357 1.851,359 3.536,360 1.66,361 2.681,362 1.46,363 3.679,364 2.324,365 1.352,366 1.688,368 3.284,369 1.311,370 2.38,371 1.385,372 3.372,373 2.282,374 1.297,375 1.369,377 2.562,378 1.276,379 2.288,380 1.163,381 3.287,382 2.022,383 1.069,384 1.259,386 2.094,387 1.015,388 1.998,389 1.012,390 3.037,391 1.845,392 0.878,393 0.936,395 1.651,396 0.844,397 1.864,398 0.739,399 2.912,400 1.595,401 0.634,402 0.786,404 1.264,405 0.607,406 1.418,407 0.481,408 2.518,409 1.319,410 0.358,411 0.375,413 0.654,414 0.342,415 1.034,416 0.061,417 2.245,418 0.872,419 -0.093,420 -0.099,422 -0.172,423 -0.09,424 0.77,425 -0.158,426 2,427 0.596,428 -0.363,429 -0.403,431 -0.638,432 -0.346,433 0.662,434 -0.44,435 2,436 0.356,437 -0.615,438 -0.661,440 -1.164,441 -0.593,442 0.443,443 -0.766,444 1.787,445 0.15,446 -0.835,447 -0.979,449 -1.752,450 -0.817,451 11.133,452 0.484,453 0.239,454 0.01,455 21.75,456 0.946,457 8.5,458 0.37,459 13.25,460 0.576,461 23.174,462 1.008,463 27.267,464 0.496,465 11.953,466 0.52,467 3.521,468 0.153,469 7.826,470 0.34,471 0.081,473 0.18,479 1.07,480 1.323,481 1.122,482 1.251,483 1.182,484 1.194,485 1.144,486 1.258,487 1.135,488 1.235,489 0.925,490 1.194,491 1.094,492 0.961,493 0.918,494 0.947,495 0.846,496 0.927,497 1.061,498 1.058,499 1.002,500 1.049,501 0.84,502 1.028,503 0.898,504 1,505 0.957,506 1.034,507 0.842,508 1.009,509 1.447,510 0.967,511 1.047,512 0.97,513 1.208,514 0.983,515 1.125,516 0.992,517 1.046,518 1.023,519 0.931,520 1.034,521 1.153,522 0.96,523 1.025,524 0.984,525 0.98,526 0.999,527 2.5,528 0.057,529 1.556,530 0.854,531 0.653,532 0.396,533 0.217,534 0.143,535 0.089,536 0.07,537 6427,538 10665,539 2.021,540 58.2,541 17,542 7,543 1,545 3,547 4,550 1.647,551 1.944,552 3.652,553 0.903,559 69.536,560 1.264,561 2.916,562 4.017,563 4.549,564 4.931,565 5.186,566 3.121,567 4.437,568 4.486,569 3.822,570 966.894,571 7.678,572 12192.2,577 317.975,578 1.068,579 4.48,580 0.104,581 0.004,582 0.054,583 0.031,584 0.026,585 0.018,586 0.011,587 0.008,588 0.006,589 0.005,590 0.268,591 0.5,592 0.75,593 2.689,594 112.765,595 -0.025,596 0.023,597 0.027,598 0.012,599 -0.045,600 0.025,601 -0.041,602 -0.107,603 -0.067,604 -0.102,605 0.03,606 -0.089,607 -0.005,608 0.019,609 0.074,610 0.056,611 0.063,612 0.069,613 -0.016,614 -0.064,615 -0.008,616 -0.044,617 0.018,618 -0.028,619 0.181,620 -0.036,621 0.027,622 -0.058,623 0.144,624 -0.033,625 -0.103,626 -0.019,627 -0.047,628 -0.007,629 -0.088,630 -0.022,631 0.049,632 -0.033,633 -0.056,634 -0.046,635 0.07,636 -0.06,637 -0.083,638 -0.018,639 -0.053,640 -0.014,641 -0.096,642 -0.03,643 0.823,644 2.417,645 0.391,646 25.837,647 0.978,648 1.135,649 4.472,650 20.002,651 0.616,652 3.219,653 3.401,654 3.611,655 3.829,656 3.97,657 4.007,658 4.06,659 4.078,660 3.932,661 3.871,662 7.467,663 0.557,664 316.54,665 3.219,666 4.673,667 5.468,668 6.29,669 7.119,670 7.962,671 8.811,672 9.668,673 10.529,674 11.396,675 3.6,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 55,716 10,717 1,718 24,720 56,721 20,722 8,723 3,724 3,730 2,731 3,736 2,743 9,745 8,746 12,764 32,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 23,828 1,833 11,835 1,847 1.8,852 1,854 11.833,855 9.583,856 5.556,857 3.965,858 2.04,859 1.309,860 0.946,861 8.372,862 8.631,863 3.401,864 3.876,865 4.45,866 5.051,867 5.528,868 5.836,869 6.176,870 6.473,871 6.2,872 6.151,873 0.889,874 28,875 8.55,877 3.368,878 7.377,879 17.282,881 13.844,883 1.877,884 43.167,885 0.001,888 341.362,889 88.956,890 49.683,892 11,895 88.956,896 352.362,897 49.683,898 8.825,899 62.406,900 37.476,902 38.787,903 13.915,904 329.591,906 341.362,907 138.639,908 11,911 294.278,912 58.084,915 88.017,916 50.622,919 341.362,920 60.683,921 88.956,924 341.362,925 42.655,926 46.301,927 16.786,928 43.897,929 341.362,930 60.683,931 88.956,933 0.53,934 0.298,935 0.165,936 0.089,937 10,938 4,939 0.214,940 12,941 1,942 1.222,943 3.776,944 156.279,945 0.222,946 9,947 104.042,951 18.187,952 10.587,953 6.096,954 2.4,955 43.897,956 8.343,958 3.294,961 2.248,963 49.683,964 491.001,965 29,975 53.785,976 62.434,977 0.219,978 0.504,979 0.695,980 0.787,981 0.853,982 0.897,983 4.559,984 1.069,985 5.361,986 2.562,987 4.078,988 4.559,989 0.908,990 6.061,991 4.024,992 5.676,993 0.878,994 6.834,995 2.094,996 3.219,997 4.227,999 6.783,1000 3.144,1001 6.93,1002 0.634,1003 8.423,1004 1.651,1005 5.525,1006 6.738,1007 0.739,1008 9.931,1009 5.425,1010 8.24,1011 0.358,1012 10.09,1013 1.264,1014 5.673,1015 7.453,1017 11.652,1018 5.555,1019 9.601,1020 -0.093,1021 11.811,1022 0.654,1023 7.3,1024 9.349,1025 0.593,1026 14.261,1027 7.163,1028 11,1029 -0.363,1030 13.572,1031 -0.172,1032 7.967,1033 10.518,1035 16.363,1036 7.819,1037 12.426,1038 -0.615,1039 15.361,1040 -0.638,1041 9.296,1042 12.179,1043 0.469,1044 18.796,1045 9.131,1046 3.092,1047 -0.835,1048 17.171,1049 -1.164,1050 10.217,1051 13.543,1053 21.044,1054 10.043,1055 2.387,1056 10.36,1057 18.996,1058 -1.752,1059 11.421,1060 15.11,1061 0.366,1062 23.417,1063 11.233,1064 1.981,1065 6.863,1066 20.832,1067 4.504,1068 12.458,1069 16.555,1071 25.72,1072 12.26,1073 1.908,1074 5.914,1075 22.678,1076 3.129,1077 13.613,1078 18.086,1079 0.283,1080 28.07,1081 13.401,1082 1.675,1083 3.826,1084 24.531,1085 2.675,1086 14.702,1087 19.565,1089 30.395,1090 14.478,1091 1.352,1092 3.536,1093 26.389,1094 1.926,1095 15.838,1096 21.081,1097 0.217,1098 32.738,1099 15.601,1100 1.297,1101 3.284,1102 28.251,1103 1.851,1104 16.949,1105 22.575,1107 35.07,1108 16.698,1109 6528,1110 8615,1111 16.178,1112 33.887,1113 33.253,1114 33.509,1115 34.509,1116 33.27,1117 33.263,1118 40.992,1119 1.72,1120 84.018,1121 32.314,1122 5.5,1123 5.186,1124 6.527,1125 5.135,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 9.405,1132 1.386,1133 1.396,1134 1.438,1135 1.386,1136 1.386,1137 1.708,1138 0.072,1139 3.501,1140 1.346,1141 4.13,1142 4.162,1143 4.088,1144 4.044,1145 5.037,1146 4.051,1147 3.806,1148 3.871,1149 3.641,1150 3.686,1151 4.958,1152 3.665,1153 3.657,1154 3.721,1155 3.504,1156 3.513,1157 4.583,1158 3.497,1159 3.554,1160 3.624,1161 3.404,1162 3.415,1163 4.226,1164 3.407,1165 3.436,1166 3.515,1167 3.255,1168 3.256,1169 4.094,1170 3.238,1171 3.31,1172 3.388,1173 3.139,1174 3.104,1175 3.974,1176 3.109,1177 3.114,1178 3.207,1179 2.885,1180 2.923,1181 3.789,1182 2.899,1183 2.941,1184 3.02,1185 2.789,1186 2.786,1187 3.69,1188 2.779,1189 0.19,1190 0.133,1191 0.273,1192 0.17,1193 0.129,1194 4.55,1195 0.188,1196 3.186,1197 0.036,1198 6.546,1199 0.432,1200 4.076,1201 0.127,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.066,1210 2.03,1211 1.421,1212 2.032,1213 1.81,1214 1.749,1215 2.021,1216 1.963,1217 1.268,1218 1.997,1219 1.668,1220 1.605,1221 1.941,1222 1.848,1223 1.222,1224 1.88,1225 1.646,1226 1.585,1227 1.851,1228 1.839,1229 1.043,1230 1.852,1231 1.444,1232 1.37,1233 1.755,1234 1.659,1235 1.006,1236 1.693,1237 1.284,1238 1.197,1239 1.537,1240 1.565,1241 0.767,1242 1.565,1243 1.163,1244 1.08,1245 1.511,1246 1.411,1247 0.556,1248 1.451,1249 0.968,1250 0.906,1251 1.288,1252 1.21,1253 0.502,1254 1.232,1255 3.892,1257 5.106,1258 2.398,1259 6.512,1260 4.727,1261 8.026,1262 6.823,1263 9.612,1265 2.265,1269 5.669,1271 13.031,1273 5.917,1280 30.66,1281 69.536,1282 160.369,1283 220.955,1284 250.2,1285 271.22,1286 285.22,1287 39.757,1288 6.592,1289 51.04,1290 51.04,1291 11,1292 11.944,1293 3.459,1294 2.585,1295 45.948,1296 101,1297 121,1298 0.216,1299 193.706,1300 328.27,1301 464.402,1302 6275,1304 16.33,1305 0.71,1306 0.634,1307 16.33,1308 14.573,1309 11.347,1310 0.473,1311 0.387,1312 9.212,1313 11.097,1314 8.994,1315 7.592,1316 11.347,1317 9.277,1318 8.846,1319 0.305,1320 0.22,1321 8.846,1322 6.383,1323 7.046,1324 0.196,1325 0.123,1326 7.046,1327 4.419,1328 5.672,1329 0.126,1330 0.067,1331 5.672,1332 3.036,1333 4.332,1334 0.083,1335 0.038,1336 4.332,1337 1.97,1338 0.358,1339 69.797,1340 0.249,1341 23.697,1342 0.54,1343 106,1344 221.381,1345 111.958,1346 216.737,1347 303.12,1348 206,1349 118,1350 224.849,1351 123.82,1352 228.327,1353 331.99,1354 217,1355 7.377} {0 CHEMBL111302,1 1.451,2 13.25,3 3.857,4 14.877,5 131.183,6 6.532,7 0.343,8 4.281,9 4.423,10 3.744,11 3.745,12 5.249,13 3.711,14 4.871,15 5.093,16 4.092,17 4.147,18 5.759,19 4.093,20 5.105,21 5.324,22 4.203,23 4.374,24 5.975,25 4.283,26 5.272,27 5.518,28 4.166,29 4.441,30 6.13,31 4.313,32 5.321,33 5.581,34 4.091,35 4.428,36 6.165,37 4.279,38 5.293,39 5.582,40 3.964,41 4.337,42 6.042,43 4.161,44 5.161,45 5.469,46 3.875,47 4.146,48 5.954,49 3.989,50 4.944,51 5.215,52 3.85,53 3.947,54 5.913,55 3.865,56 0.054,57 1.001,58 16.216,59 5.815,60 10.038,61 8.781,62 0.444,63 1.594,64 30.61,65 8.992,66 29.39,67 14.329,68 0.423,69 1.969,70 38.198,71 12.667,72 29.76,73 19.283,74 0.417,75 2.128,76 45.226,77 15.342,78 46.17,79 23.08,80 0.614,81 2.126,82 47.917,83 15.848,84 60.131,85 23.894,86 0.525,87 1.993,88 46.391,89 15.469,90 46.464,91 23.728,92 0.556,93 1.713,94 41.079,95 12.342,96 48.631,97 19.767,98 0.416,99 1.399,100 33.598,101 8.895,102 50.641,103 14.268,104 27,105 49,106 0.231,107 0.484,108 0.658,109 0.749,110 0.794,111 0.794,112 3.502,113 0.981,114 -3.71,115 -3.68,116 -3.5,119 37.3,120 2,124 2,125 8,140 6,141 2,142 4,157 1,169 7,171 1,172 4,174 2,176 2,178 7,181 3,182 7,186 1,189 7,193 6,195 1,199 3,202 1,203 5,206 2,214 3,215 5,225 2,226 6,229 1,231 2,237 5,242 4,248 3,249 1,254 1,256 4,259 1736,260 21.593,261 21.593,262 21.593,263 21.593,264 21.593,265 19.931,266 33.775,267 12.538,268 22.248,269 17.164,270 17.164,271 17.164,272 17.164,273 17.164,274 14.582,275 49.902,276 5.824,277 18.1,278 4.615,279 3.032,280 1.941,281 1.374,282 1.09,283 1.09,284 4.196,289 1,290 914,291 3.162,295 458.219,302 2.063,303 21.255,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 68.5,315 424,316 4.412,317 3.692,318 6.715,319 4.081,320 3.116,321 4.037,322 1.701,323 10.798,324 3.013,325 4.354,326 3.328,327 6.521,328 4.006,329 3.057,330 3.963,331 0.86,332 10.269,333 2.898,334 3.976,335 3.3,336 6.049,337 3.739,338 2.792,339 3.179,340 0.8,341 8.68,342 2.631,343 3.594,344 2.781,345 5.356,346 3.402,347 2.468,348 2.801,349 0.8,350 6.899,351 2.303,352 3.435,353 2.56,354 5.223,355 3.199,356 2.257,357 2.531,358 0.8,359 6.437,360 2.118,361 3.283,362 2.407,363 5.111,364 3.014,365 2.064,366 2.481,367 0.563,368 5.951,369 1.955,370 3.232,371 2.388,372 4.923,373 2.879,374 1.96,375 2.42,376 0.075,377 5.602,378 1.879,379 3.101,380 2.147,381 4.841,382 2.87,383 1.879,384 2.18,386 5.104,387 1.779,388 2.76,389 2.085,390 4.116,391 2.371,392 1.38,393 1.811,395 3.515,396 1.359,397 2.468,398 1.335,399 3.971,400 2.111,401 1.142,402 1.46,404 3.052,405 1.104,406 2.408,407 1.288,408 3.77,409 2.096,410 1.119,411 1.349,413 2.753,414 1.085,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.795,434 1.095,435 3.025,436 1.514,437 0.628,438 0.705,440 1.111,441 0.55,442 1.224,443 0.559,444 2.814,445 1.043,446 0.077,447 0.084,449 0.187,450 0.074,451 15.167,452 0.474,453 0.801,454 0.025,455 37.25,456 1.164,457 15.5,458 0.484,459 21.75,460 0.68,461 31.962,462 0.999,463 36.433,464 0.544,465 29.164,466 0.911,467 7.529,468 0.235,469 7.928,470 0.248,471 0.154,473 0.336,479 0.872,480 1.701,481 0.909,482 1.33,483 0.622,484 1.149,485 1.198,486 0.998,487 0.952,488 0.807,489 0.598,490 0.826,491 1.034,492 1.119,493 1.094,494 1.099,495 0.859,496 1.093,497 1.078,498 1.145,499 1.083,500 1.154,501 1.245,502 1.126,503 1.132,504 1.023,505 1.11,506 1.075,507 1.404,508 1.094,509 0.784,510 1.047,511 0.944,512 1.053,513 0.773,514 1.03,515 0.735,516 0.914,517 0.812,518 0.873,519 0.784,520 0.846,521 1.694,522 1.004,523 0.953,524 0.848,525 1.986,526 0.81,527 6.5,528 0.153,529 4.222,530 2.625,531 1.911,532 1.028,533 0.805,534 0.682,535 0.287,536 0.208,537 14991,538 31300,539 2.063,540 52.2,541 6,542 28,545 1,550 1.742,551 1.92,552 3.642,553 -0.372,559 97.197,560 1.451,561 3.034,562 4.125,563 4.692,564 4.976,565 4.976,566 3.102,567 4.414,568 4.973,569 3.855,570 1912.31,571 8.682,572 28649.3,577 406.428,578 1.448,579 4.925,580 0.186,581 0.005,582 0.086,583 0.05,584 0.039,585 0.023,586 0.021,587 0.019,588 0.008,589 0.007,590 0.445,591 0.5,592 1,593 0.731,594 169.937,595 0.016,596 -0.383,597 0.084,598 -0.159,599 -0.003,600 -0.05,601 -0.005,602 0.182,603 0.082,604 0.186,605 0.093,606 0.153,607 -0.033,608 0.035,609 -0.095,610 -0.059,611 -0.025,612 -0.078,613 -0.07,614 -0.109,615 -0.097,616 -0.127,617 -0.054,618 -0.117,619 -0.033,620 -0.034,621 -0.117,622 -0.079,623 -0.113,624 -0.107,625 0.096,626 -0.12,627 0.023,628 -0.074,629 0.021,630 -0.044,631 0.196,632 0.002,633 0.171,634 0.048,635 0.161,636 0.103,637 -0.125,638 -0.041,639 0.105,640 0.053,641 0.065,642 0.106,643 1.708,644 5.974,645 0.75,646 35.391,647 0.991,648 1.136,649 2.485,650 6.175,651 0.632,652 3.584,653 3.912,654 4.19,655 4.431,656 4.644,657 4.673,658 4.796,659 4.898,660 4.86,661 4.934,662 7.774,663 0.589,664 437.65,665 3.584,666 5.13,667 5.984,668 6.862,669 7.729,670 8.609,671 9.481,672 10.363,673 11.236,674 12.118,675 7.5,678 1,681 2,682 2,688 6,693 6,695 12,709 2,712 1,714 67,716 13,717 2,718 35,720 70,721 25,722 12,723 6,724 6,730 4,731 4,735 1,736 2,745 13,746 12,750 1,755 1,759 1,764 35,765 7,766 1,767 7,773 5,777 1,778 2,793 4,815 1,819 4,823 4,827 32,833 8,834 1,835 1,838 4,847 3,850 1,852 1,854 16.667,855 13.133,856 7.083,857 4.046,858 2.183,859 1.279,860 0.97,861 7.361,862 10.008,863 3.761,864 4.29,865 4.787,866 5.264,867 5.705,868 5.801,869 6.01,870 6.225,871 6.277,872 6.465,873 0.889,874 53,875 11.886,877 4.921,878 7.521,879 23.399,881 19.175,883 2.021,884 64.667,888 400.217,889 134.794,890 30.508,892 36.145,895 134.794,896 436.362,897 30.508,898 36.93,899 37.981,900 56.857,901 25.145,902 40.258,903 4.276,904 400.217,906 400.217,907 165.302,908 36.145,911 400.217,912 36.145,915 58.755,916 106.546,919 400.217,920 66.653,921 134.794,924 400.217,925 41.006,926 106.285,927 18.011,928 36.145,929 400.217,930 66.653,931 134.794,933 0.584,934 0.35,935 0.187,936 0.1,937 23,938 11,939 0.057,940 4,942 1,943 4.291,944 289.159,946 24,947 139.245,951 23.055,952 10.216,953 5.286,955 66.653,956 12.315,961 6.574,963 18.011,964 601.664,965 42,970 12.974,974 -0.041,975 66.418,976 76.138,977 0.239,978 0.5,979 0.68,980 0.774,981 0.82,982 0.82,983 5.024,984 1.879,985 5.974,986 5.602,987 4.595,988 4.977,989 2.379,990 6.788,991 4.496,992 6.197,993 1.38,994 7.54,995 5.104,996 4.205,997 4.771,998 1.577,999 7.714,1000 4.049,1001 7.492,1002 1.142,1003 9.204,1004 3.515,1005 6.196,1006 7.051,1007 2.694,1008 10.803,1009 5.999,1010 8.817,1011 1.119,1012 10.927,1013 3.052,1014 6.608,1015 7.652,1016 2.548,1017 12.562,1018 6.355,1019 10.176,1020 1,1021 12.687,1022 2.753,1023 8.075,1024 9.449,1025 3.441,1026 15.173,1027 7.784,1028 11.556,1029 1,1030 14.475,1031 2.275,1032 8.858,1033 10.428,1034 3.624,1035 17.28,1036 8.518,1037 12.955,1038 0.628,1039 16.282,1040 2.275,1041 10.114,1042 12.023,1043 4.372,1044 19.726,1045 9.737,1046 3.116,1047 0.077,1048 18.105,1049 1.111,1050 11.074,1051 13.193,1052 4.72,1053 21.979,1054 10.653,1055 3.057,1056 10.798,1057 19.94,1058 0.187,1059 12.243,1060 14.692,1061 5.376,1062 24.366,1063 11.785,1064 2.792,1065 10.269,1066 21.784,1067 4.037,1068 13.287,1069 15.96,1070 5.809,1071 26.68,1072 12.787,1073 2.468,1074 8.68,1075 23.637,1076 3.963,1077 14.422,1078 17.409,1079 6.41,1080 29.047,1081 13.885,1082 2.257,1083 6.899,1084 25.497,1085 3.179,1086 15.505,1087 18.731,1088 6.887,1089 31.388,1090 14.929,1091 2.064,1092 6.437,1093 27.361,1094 2.801,1095 16.629,1096 20.152,1097 7.458,1098 33.749,1099 16.015,1100 1.96,1101 5.951,1102 29.23,1103 2.531,1104 17.731,1105 21.503,1106 7.96,1107 36.102,1108 17.079,1109 14276,1110 20778,1111 23.175,1112 42.358,1113 52.084,1114 53.252,1115 54.526,1116 51.892,1117 51.882,1118 61.999,1119 11.2,1120 149.819,1121 49.357,1122 5.412,1123 5.692,1124 6.261,1125 5.149,1126 5.116,1127 7.037,1128 2.972,1129 17.523,1130 5.013,1131 17.101,1132 1.488,1133 1.521,1134 1.558,1135 1.483,1136 1.482,1137 1.771,1138 0.32,1139 4.281,1140 1.41,1141 4.02,1142 4.064,1143 3.958,1144 3.918,1145 7.429,1146 3.92,1147 3.951,1148 3.99,1149 3.895,1150 3.855,1151 4.865,1152 3.862,1153 3.772,1154 3.838,1155 3.674,1156 3.569,1157 4.742,1158 3.584,1159 3.719,1160 3.778,1161 3.607,1162 3.545,1163 4.424,1164 3.551,1165 3.359,1166 3.411,1167 3.275,1168 3.125,1169 4.35,1170 3.119,1171 3.266,1172 3.35,1173 3.067,1174 3.076,1175 4.262,1176 3.101,1177 3.211,1178 3.303,1179 3.031,1180 2.941,1181 3.966,1182 2.941,1183 3.167,1184 3.243,1185 3.008,1186 2.941,1187 3.889,1188 2.932,1189 0.126,1190 0.105,1191 0.192,1192 0.117,1193 0.089,1194 4.412,1195 0.115,1196 3.692,1197 0.049,1198 6.715,1199 0.309,1200 4.081,1201 0.086,1202 3.116,1203 4.037,1204 1.701,1205 10.798,1206 3.013,1207 1.958,1208 1.926,1209 2.079,1210 2.087,1211 1.317,1212 2.084,1213 1.916,1214 1.886,1215 2.034,1216 2.06,1217 1.304,1218 2.058,1219 1.723,1220 1.654,1221 1.921,1222 1.934,1223 1.133,1224 1.934,1225 1.686,1226 1.62,1227 1.887,1228 1.874,1229 1.049,1230 1.882,1231 1.303,1232 1.226,1233 1.639,1234 1.563,1235 0.825,1236 1.557,1237 1.244,1238 1.186,1239 1.573,1240 1.507,1241 0.825,1242 1.554,1243 1.174,1244 1.074,1245 1.54,1246 1.475,1247 0.719,1248 1.497,1249 1.153,1250 1.064,1251 1.513,1252 1.399,1253 0.641,1254 1.429,1255 4.263,1257 5.587,1259 7.114,1261 8.729,1263 10.387,1265 8.153,1271 7.036,1272 3.104,1273 5.591,1276 8.96,1280 39.439,1281 97.197,1282 203.293,1283 276.389,1284 314.389,1285 333.408,1286 333.408,1287 51.336,1288 7.824,1289 51.29,1290 51.29,1291 24,1292 12.654,1293 3.807,1294 3,1295 52.089,1296 152,1297 138,1298 0.167,1299 242.478,1300 423.92,1301 583.405,1302 29275,1304 22.665,1305 0.708,1306 0.616,1307 22.665,1308 19.726,1309 15.457,1310 0.442,1311 0.327,1312 11.252,1313 14.766,1314 10.837,1315 9.016,1316 15.457,1317 11.446,1318 13.882,1319 0.283,1320 0.18,1321 13.882,1322 8.822,1323 11.851,1324 0.182,1325 0.101,1326 11.851,1327 6.597,1328 9.825,1329 0.118,1330 0.057,1331 9.825,1332 4.702,1333 7.766,1334 0.075,1335 0.031,1336 7.766,1337 3.244,1338 0.267,1339 97.263,1340 0.208,1341 30.2,1342 0.442,1343 168,1344 430.384,1345 184.305,1346 412.916,1347 571.18,1348 390,1349 198,1350 422.647,1351 216.139,1352 430.851,1353 628.92,1354 402,1355 7.432} {0 CHEMBL111376,1 1.354,2 9.111,3 3.319,4 11.016,5 75.31,6 6.16,7 0.526,8 3.745,9 3.89,10 3.138,11 3.248,12 4.705,13 3.191,14 4.294,15 4.5,16 3.405,17 3.619,18 5.152,19 3.52,20 4.529,21 4.793,22 3.389,23 3.69,24 5.303,25 3.554,26 4.477,27 4.734,28 3.293,29 3.631,30 5.259,31 3.484,32 4.43,33 4.704,34 3.184,35 3.51,36 5.244,37 3.35,38 4.316,39 4.587,40 2.975,41 3.387,42 5.092,43 3.227,44 4.145,45 4.407,46 2.85,47 3.303,48 4.942,49 3.122,50 4.115,51 4.405,52 2.609,53 3.208,54 4.78,55 2.991,56 0.058,57 0.556,58 9.885,59 3.826,60 7.425,61 5.56,62 0.124,63 0.855,64 16.988,65 6.378,66 14.104,67 9.286,68 0.186,69 0.965,70 21.181,71 7.599,72 20.449,73 11.213,74 0.17,75 0.924,76 20.13,77 7.143,78 18.792,79 10.631,80 0.237,81 0.844,82 19.246,83 6.68,84 23.766,85 9.922,86 0.205,87 0.738,88 17.225,89 5.695,90 20.453,91 8.514,92 0.167,93 0.663,94 14.318,95 5.221,96 18.415,97 7.796,98 0.112,99 0.617,100 13.625,101 5.002,102 12.44,103 7.536,104 16,105 24,106 0.245,107 0.597,108 0.814,109 0.879,110 0.879,111 0.879,112 2.959,113 1.07,114 -3.6,115 -3.57,116 -3.4,119 37.5,120 1,121 4,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 7,172 3,176 4,178 6,180 1,182 3,186 4,189 5,191 1,193 2,197 1,199 4,201 1,203 2,206 1,207 1,208 1,210 1,211 5,213 1,220 1,222 5,224 1,228 1,229 1,231 2,233 6,235 1,242 1,244 4,254 2,256 2,258 1,259 368,260 12.569,261 12.569,262 12.569,263 12.569,264 12.569,265 11.439,266 8.779,267 7.985,268 12.779,269 9.346,270 9.346,271 9.346,272 9.346,273 9.346,274 7.58,275 7.285,276 3.699,277 9.681,278 3.968,279 2.022,280 0.825,281 0.469,282 0.469,283 0.469,284 3.621,287 1,288 1,289 1,290 336,291 3,294 40.375,295 45.408,298 71.8,302 1.457,303 10.216,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 38,315 164,316 4.55,317 3.186,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 3.715,326 2.774,327 5.317,328 3.327,329 2.387,330 3.129,332 6.863,333 2.242,334 3.346,335 2.171,336 5.096,337 2.949,338 1.978,339 2.675,341 5.914,342 1.91,343 2.78,344 1.803,345 4.159,346 2.702,347 1.715,348 1.864,350 3.567,351 1.692,352 2.71,353 1.4,354 3.723,355 2.304,356 1.326,357 1.734,359 3.316,360 1.296,361 2.338,362 1.322,363 3.335,364 2.066,365 1.122,366 1.304,368 2.169,369 1.053,370 2.107,371 1.127,372 3.118,373 1.959,374 1,375 1.085,377 1.856,378 0.954,379 1.938,380 0.749,381 3,382 1.593,383 0.635,384 0.814,386 1.267,387 0.607,388 1.303,389 0.39,390 2.472,391 1.138,392 0.2,393 0.215,395 0.345,396 0.187,397 0.888,398 -0.043,399 2.184,400 0.637,401 -0.316,402 -0.36,404 -0.559,405 -0.299,406 0.671,407 -0.4,408 2,409 0.348,410 -0.614,411 -0.678,413 -1.135,414 -0.586,415 0.452,416 -0.839,417 1.852,418 0.113,419 -0.873,420 -1.111,422 -1.911,423 -0.861,424 0.199,425 -0.914,426 1.568,427 -0.035,428 -1,429 -1.314,431 -2.673,432 -0.964,433 -0.087,434 -1.177,435 1.261,436 -0.48,437 -1.432,438 -1.575,440 -3.109,441 -1.33,442 -0.324,443 -1.404,444 0.857,445 -0.569,446 -1.541,447 -1.801,449 -3.897,450 -1.488,451 8.633,452 0.48,453 0.239,454 0.013,455 19.25,456 1.069,457 8.5,458 0.472,459 10.75,460 0.597,461 14.813,462 0.823,463 20.767,464 0.519,465 11.014,466 0.612,467 3.521,468 0.196,469 5.326,470 0.296,471 0.104,473 0.232,479 1.063,480 1.267,481 1.029,482 1.169,483 1.208,484 1.098,485 1.174,486 1.178,487 1.041,488 1.137,489 0.956,490 1.087,491 1.194,492 0.955,493 0.918,494 0.929,495 0.929,496 0.907,497 1.176,498 1.098,499 1.04,500 1.082,501 0.937,502 1.056,503 0.998,504 1.017,505 0.978,506 1.061,507 0.927,508 1.029,509 1.765,510 0.924,511 1.142,512 0.913,513 1.457,514 0.97,515 0.863,516 1.112,517 1.148,518 1.162,519 0.868,520 1.184,521 0.828,522 1.065,523 1.108,524 1.109,525 0.914,526 1.135,527 2.5,528 0.037,529 1.556,530 0.854,531 0.653,532 0.396,533 0.217,534 0.143,535 0.089,536 0.06,537 2752,538 5310,539 2.026,540 55,541 7,542 7,543 1,545 3,547 4,550 1.583,551 1.929,552 3.162,553 1.088,555 1,557 1,559 54.166,560 1.354,561 3.3,562 4.496,563 4.853,564 4.853,565 4.853,566 2.711,567 3.53,568 4.129,569 3.278,570 501.55,571 7.001,572 4816.66,573 1,574 1,576 1,577 212.877,578 1.224,579 4.116,580 0.132,581 0.007,582 0.065,583 0.037,584 0.033,585 0.023,586 0.016,587 0.012,588 0.01,589 0.009,590 0.343,591 0.83,592 1,593 1.983,594 77.571,595 -0.054,596 0.033,597 0.028,598 0.021,599 -0.114,600 0.036,601 -0.06,602 -0.055,603 -0.018,604 -0.041,605 -0.004,606 -0.027,607 -0.044,608 0.025,609 0.077,610 0.073,611 0.013,612 0.085,613 -0.061,614 -0.095,615 -0.046,616 -0.078,617 -0.047,618 -0.062,619 0.177,620 -0.053,621 0.015,622 -0.094,623 0.133,624 -0.063,625 -0.232,626 0.023,627 -0.12,628 0.036,629 -0.214,630 -0.025,631 0.055,632 -0.102,633 -0.175,634 -0.153,635 0.071,636 -0.186,637 -0.093,638 -0.113,639 -0.168,640 -0.128,641 -0.141,642 -0.154,643 0.825,644 2.274,645 0.5,646 15.037,647 0.984,648 1.134,649 2.37,650 5.619,651 0.627,652 2.996,653 3.219,654 3.466,655 3.714,656 3.871,657 3.912,658 3.97,659 3.97,660 3.784,661 3.664,662 5.232,663 0.576,664 246.39,665 2.996,666 4.466,667 5.283,668 6.129,669 6.98,670 7.844,671 8.711,672 9.584,673 10.458,674 11.336,675 5,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 40,716 10,717 1,718 19,720 41,721 15,722 8,723 3,724 3,730 2,731 3,736 2,743 4,745 8,746 7,761 1,764 22,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 18,828 1,833 6,835 1,847 2.5,852 1,854 9.333,855 7.083,856 4.306,857 2.715,858 2.078,859 1.336,860 0.963,861 4.936,862 8.26,863 3.219,864 3.767,865 4.39,866 5.019,867 5.508,868 5.821,869 6.166,870 6.462,871 6.178,872 6.108,873 1,874 23,875 6.657,877 2.651,878 7.481,879 13.2,881 10.511,883 1.981,884 35.667,885 0.003,888 223.651,889 76.284,890 49.683,892 11,895 76.284,896 234.651,897 49.683,898 8.825,899 49.733,900 37.476,902 38.787,903 13.915,904 211.88,906 223.651,907 125.966,908 11,911 176.567,912 58.084,915 75.344,916 50.622,919 223.651,920 60.683,921 76.284,924 223.651,925 29.982,926 46.301,927 16.786,928 43.897,929 223.651,930 60.683,931 76.284,933 0.539,934 0.311,935 0.176,936 0.097,937 10,938 4,939 0.171,940 7,941 1,942 1.222,943 3.135,944 118.072,945 0.222,946 9,947 75.059,951 13.28,952 6.69,953 3.425,954 2.382,955 43.897,956 8.253,958 3.265,961 2.225,963 49.683,964 360.617,965 24,975 39.367,976 45.358,977 0.254,978 0.62,979 0.845,980 0.912,981 0.912,982 0.912,983 4.388,984 0.635,985 5.209,986 1.856,987 3.892,988 4.449,989 0.908,990 5.964,991 3.826,992 5.548,993 0.2,994 6.72,995 1.267,996 3.219,997 4.227,999 6.783,1000 3.144,1001 6.833,1002 -0.316,1003 8.343,1004 0.345,1005 5.398,1006 6.702,1007 0.739,1008 9.908,1009 5.283,1010 8.17,1011 -0.614,1012 10.036,1013 -0.559,1014 5.673,1015 7.453,1017 11.652,1018 5.555,1019 9.552,1020 -0.873,1021 11.776,1022 -1.135,1023 7.231,1024 9.341,1025 0.593,1026 14.257,1027 7.083,1028 10.966,1029 -1,1030 13.55,1031 -1.911,1032 7.967,1033 10.518,1035 16.363,1036 7.819,1037 12.404,1038 -1.432,1039 15.347,1040 -2.673,1041 9.263,1042 12.178,1043 0.469,1044 18.796,1045 9.093,1046 3.092,1047 -1.541,1048 17.162,1049 -3.109,1050 10.217,1051 13.543,1053 21.044,1054 10.043,1055 2.387,1056 10.36,1057 18.991,1058 -3.897,1059 11.407,1060 15.11,1061 0.366,1062 23.417,1063 11.216,1064 1.978,1065 6.863,1066 20.829,1067 4.504,1068 12.458,1069 16.555,1071 25.72,1072 12.26,1073 1.715,1074 5.914,1075 22.676,1076 3.129,1077 13.607,1078 18.086,1079 0.283,1080 28.07,1081 13.394,1082 1.326,1083 3.567,1084 24.529,1085 2.675,1086 14.702,1087 19.565,1089 30.395,1090 14.478,1091 1.122,1092 3.316,1093 26.388,1094 1.864,1095 15.836,1096 21.081,1097 0.217,1098 32.738,1099 15.598,1100 1,1101 2.169,1102 28.25,1103 1.734,1104 16.949,1105 22.575,1107 35.07,1108 16.698,1109 2863,1110 4070,1111 12.712,1112 25.08,1113 26.838,1114 27.191,1115 28.168,1116 26.892,1117 26.911,1118 34.643,1119 1.72,1120 71.315,1121 25.963,1122 5.425,1123 5.186,1124 6.483,1125 5.127,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 7.691,1132 1.413,1133 1.431,1134 1.483,1135 1.415,1136 1.416,1137 1.823,1138 0.091,1139 3.753,1140 1.366,1141 4.129,1142 4.161,1143 4.088,1144 4.044,1145 5.037,1146 4.051,1147 3.72,1148 3.784,1149 3.561,1150 3.577,1151 4.958,1152 3.561,1153 3.558,1154 3.627,1155 3.421,1156 3.417,1157 4.584,1158 3.411,1159 3.39,1160 3.465,1161 3.231,1162 3.162,1163 4.16,1164 3.164,1165 3.237,1166 3.323,1167 3.034,1168 3.053,1169 3.988,1170 3.039,1171 2.946,1172 3.023,1173 2.805,1174 2.791,1175 3.766,1176 2.786,1177 2.764,1178 2.875,1179 2.494,1180 2.499,1181 3.519,1182 2.477,1183 2.639,1184 2.769,1185 2.369,1186 2.329,1187 3.409,1188 2.321,1189 0.239,1190 0.168,1191 0.345,1192 0.215,1193 0.163,1194 4.55,1195 0.237,1196 3.186,1197 0.045,1198 6.546,1199 0.545,1200 4.076,1201 0.16,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.03,1210 2.028,1211 1.307,1212 2.028,1213 1.72,1214 1.656,1215 1.982,1216 1.89,1217 1.222,1218 1.926,1219 1.648,1220 1.588,1221 1.85,1222 1.845,1223 1.016,1224 1.853,1225 1.347,1226 1.272,1227 1.674,1228 1.61,1229 0.881,1230 1.625,1231 1.271,1232 1.18,1233 1.521,1234 1.535,1235 0.556,1236 1.55,1237 0.975,1238 0.919,1239 1.26,1240 1.219,1241 0.422,1242 1.232,1243 0.802,1244 0.718,1245 1.17,1246 1.084,1247 0.242,1248 1.128,1249 0.708,1250 0.607,1251 1.065,1252 0.959,1253 0.116,1254 1.002,1255 3.664,1257 4.905,1258 2.398,1259 6.351,1260 4.727,1261 7.905,1262 6.823,1263 9.524,1265 2.199,1269 5.617,1271 5.951,1273 5.774,1280 23.026,1281 54.166,1282 132.009,1283 179.858,1284 194.122,1285 194.122,1286 194.122,1287 24.27,1288 6.182,1289 51.04,1290 51.04,1291 11,1292 11.875,1293 3.459,1294 2.585,1295 31.157,1296 56,1297 66,1298 0.286,1299 145.744,1300 241.77,1301 347.375,1302 3240,1304 12.795,1305 0.711,1306 0.613,1307 12.795,1308 11.038,1309 8.847,1310 0.466,1311 0.357,1312 6.712,1313 8.597,1314 6.543,1315 5.509,1316 8.847,1317 6.777,1318 7.078,1319 0.295,1320 0.192,1321 7.078,1322 4.616,1323 5.796,1324 0.187,1325 0.102,1326 5.796,1327 3.169,1328 4.788,1329 0.12,1330 0.054,1331 4.788,1332 2.152,1333 3.707,1334 0.079,1335 0.028,1336 3.707,1337 1.323,1338 0.446,1339 54.797,1340 0.28,1341 18.4,1342 0.78,1343 86,1344 201.381,1345 91.958,1346 195.929,1347 274.32,1348 186,1349 98,1350 204.849,1351 103.82,1352 207.519,1353 303.19,1354 197,1355 8.824} {0 CHEMBL111899,1 1.388,2 15.618,3 3.737,4 13.967,5 140.266,6 6.28,7 0.395,8 4.381,9 4.528,10 3.812,11 3.868,12 5.284,13 3.819,14 4.997,15 5.212,16 4.168,17 4.329,18 5.794,19 4.244,20 5.325,21 5.575,22 4.16,23 4.52,24 6.071,25 4.369,26 5.464,27 5.765,28 4.098,29 4.522,30 6.138,31 4.338,32 5.386,33 5.686,34 4.011,35 4.444,36 6.055,37 4.26,38 5.335,39 5.637,40 3.996,41 4.399,42 5.991,43 4.219,44 5.293,45 5.588,46 3.98,47 4.351,48 6.003,49 4.183,50 5.244,51 5.536,52 3.829,53 4.298,54 5.934,55 4.111,56 0.118,57 1.128,58 18.62,59 6.805,60 14.347,61 10.309,62 0.32,63 1.854,64 34.574,65 11.67,66 21.308,67 18.086,68 0.431,69 2.259,70 47.372,71 16.797,72 38.998,73 25.441,74 0.513,75 2.364,76 53.984,77 18.088,78 47.732,79 28.237,80 0.505,81 2.192,82 50.065,83 16.705,84 43.356,85 25.941,86 0.409,87 2.081,88 47.339,89 16.159,90 36.509,91 25.004,92 0.476,93 1.999,94 45.86,95 15.048,96 42.499,97 23.335,98 0.452,99 1.893,100 43.605,101 14.313,102 39.883,103 22.253,104 5,105 53,106 0.216,107 0.5,108 0.698,109 0.812,110 0.835,111 0.835,112 3.56,113 1.039,114 -5.02,115 -4.92,116 -4.61,119 36.5,121 9,122 1,124 1,125 5,129 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 5,178 12,182 7,184 1,186 3,189 8,193 8,195 1,197 1,199 5,202 1,203 7,206 1,208 1,211 6,215 4,218 1,220 3,222 7,226 5,229 2,231 3,233 6,236 1,237 6,242 4,244 4,249 3,254 1,256 3,259 2150,260 23.292,261 23.292,262 23.292,263 23.292,264 23.292,265 21.604,266 26.043,267 13.857,268 23.767,269 18.797,270 18.797,271 18.797,272 18.797,273 18.797,274 16.259,275 30.449,276 6.619,277 19.587,278 4.821,279 2.998,280 1.733,281 0.997,282 0.848,283 0.848,284 4.268,289 1,290 1180,291 3.808,294 188.067,295 360.473,298 161.085,302 2.486,303 19.376,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 72,315 531,316 4.568,317 3.524,318 6.995,319 4.256,320 3.3,321 4.518,322 0.8,323 11.901,324 3.147,325 4.3,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,331 0.8,332 10.431,333 3.062,334 4.129,335 2.886,336 6.095,337 3.689,338 2.753,339 3.3,341 8.884,342 2.577,343 3.595,344 2.791,345 5.476,346 3.571,347 2.594,348 2.812,350 7.359,351 2.542,352 3.457,353 2.691,354 5.31,355 3.333,356 2.41,357 2.597,359 6.874,360 2.223,361 3.379,362 2.237,363 5.126,364 3.013,365 2.038,366 2.59,368 6.001,369 1.985,370 3.246,371 2.182,372 4.78,373 2.939,374 2.003,375 2.401,377 5.301,378 1.867,379 3.011,380 1.795,381 4.514,382 2.73,383 1.776,384 2.011,386 4.655,387 1.69,388 2.743,389 1.422,390 4.134,391 2.388,392 1.397,393 1.848,395 3.484,396 1.383,397 2.431,398 1.374,399 3.802,400 2.318,401 1.333,402 1.41,404 3.004,405 1.312,406 2.395,407 1.173,408 3.625,409 2.1,410 1.135,411 1.392,413 2.562,414 1.093,415 2.265,416 1.077,417 3.491,418 2,419 1,420 1.209,422 2.372,423 1,424 2.118,425 1,426 3.342,427 1.984,428 1,429 1,431 2.136,432 0.983,433 2,434 0.94,435 3.279,436 1.864,437 0.899,438 1,440 2.104,441 0.865,442 2,443 0.685,444 3.247,445 1.571,446 0.618,447 0.927,449 1.49,450 0.586,451 16.233,452 0.477,453 0.766,454 0.023,455 34.5,456 1.015,457 12,458 0.353,459 22.5,460 0.662,461 39.579,462 1.164,463 38.967,464 0.527,465 22.746,466 0.669,467 5.882,468 0.173,469 10.697,470 0.315,471 0.051,472 0.031,473 0.228,479 0.938,480 1.529,481 0.966,482 1.263,483 0.877,484 1.142,485 1.097,486 1.11,487 1.041,488 1.05,489 0.732,490 1.033,491 1.091,492 1.161,493 1.127,494 1.19,495 1.243,496 1.175,497 0.895,498 0.969,499 0.935,500 0.972,501 0.877,502 0.963,503 0.987,504 0.921,505 0.974,506 0.961,507 1.06,508 0.97,509 0.838,510 0.964,511 0.886,512 0.969,513 0.887,514 0.942,515 1.115,516 0.947,517 0.955,518 0.955,519 1.29,520 0.949,521 1.204,522 0.966,523 1.095,524 1.026,525 1.386,526 1.052,527 7,528 0.169,529 3.556,530 1.882,531 1.428,532 0.986,533 0.728,534 0.272,535 0.278,536 0.241,537 21042,538 39597,539 2.156,540 54.1,541 12,542 16,543 1,544 2,545 2,547 3,548 4,550 1.753,551 2.071,552 3.9,553 0.147,559 102.731,560 1.388,561 3.211,562 4.476,563 5.213,564 5.361,565 5.361,566 3.377,567 4.455,568 5.06,569 4.113,570 2307.27,571 8.83,572 38163.6,577 459.5,578 1.263,579 5.037,580 0.184,581 0.006,582 0.067,583 0.038,584 0.032,585 0.024,586 0.018,587 0.007,588 0.008,589 0.008,590 0.393,591 0.17,592 0.75,593 0.39,594 187.65,595 0.062,596 -0.186,597 0.08,598 -0.051,599 0.041,600 0.002,601 -0.04,602 0.095,603 -0.009,604 0.034,605 0.06,606 0.021,607 -0.056,608 -0.116,609 -0.133,610 -0.128,611 -0.052,612 -0.139,613 0.022,614 -0.036,615 0.034,616 0.008,617 0.058,618 0.02,619 -0.014,620 0.019,621 0.001,622 0.013,623 -0.045,624 0.008,625 0.041,626 -0.036,627 0.077,628 0.017,629 0.041,630 0.046,631 -0.001,632 -0.006,633 0.034,634 0.018,635 -0.021,636 0.026,637 -0.106,638 -0.014,639 -0.106,640 -0.052,641 -0.137,642 -0.077,643 1.769,644 5.204,645 0.765,646 42.969,647 0.986,648 1.139,649 3.79,650 14.367,651 0.627,652 3.664,653 3.989,654 4.234,655 4.489,656 4.644,657 4.71,658 4.828,659 4.934,660 4.984,661 5.063,662 9.129,663 0.578,664 464.73,665 3.664,666 5.209,667 6.052,668 6.929,669 7.784,670 8.665,671 9.527,672 10.41,673 11.277,674 12.16,675 8.1,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 74,716 15,717 1,718 38,720 78,721 27,722 10,723 3,724 3,730 5,731 6,740 7,741 2,743 9,745 10,746 17,747 2,764 40,765 5,766 2,767 7,773 6,777 0.8,778 1,781 1,788 1,792 2,793 3,796 1,815 2,817 1,819 4,823 1,827 34,832 1,833 14,837 1,838 2,839 1,844 1,847 1.4,848 1,854 16.417,855 13.033,856 7.375,857 4.905,858 2.724,859 1.33,860 0.955,861 7.574,862 10.979,863 3.839,864 4.376,865 4.913,866 5.48,867 5.881,868 6.286,869 6.74,870 7.166,871 7.358,872 7.582,873 1,874 49,875 12.68,877 5.404,878 7.404,879 25.556,881 22.103,883 1.904,884 64.75,888 447.302,889 107.108,890 58.259,892 42.683,895 107.108,896 489.985,897 58.259,898 8.396,899 33.339,900 80.16,901 74.105,902 33.449,903 13.915,904 411.989,906 447.302,907 165.368,908 42.683,911 364.904,912 82.398,913 42.683,915 75.51,916 56.532,917 33.326,919 447.302,920 100.943,921 107.108,924 447.302,925 43.999,926 71.257,927 16.786,928 76.009,929 447.302,930 100.943,931 107.108,933 0.58,934 0.331,935 0.179,936 0.091,937 26,938 10,939 0.115,940 9,941 1,942 1.077,943 4.754,944 307.765,945 0.077,946 26,947 160.974,951 23.84,952 10.802,953 6.041,954 2.451,955 82.258,956 12.059,957 7.842,958 3.415,961 2.449,962 1.942,963 59.469,964 655.353,965 45.5,975 72.959,976 84.258,977 0.224,978 0.517,979 0.721,980 0.839,981 0.863,982 0.863,983 5.098,984 1.776,985 6.043,986 5.301,987 4.673,988 5.063,989 1.072,990 6.853,991 4.594,992 6.268,993 1.397,994 7.599,995 4.655,996 4.29,997 4.82,998 0.57,999 7.949,1000 4.148,1001 7.565,1002 1.333,1003 9.265,1004 3.484,1005 6.304,1006 7.19,1007 0.653,1008 10.956,1009 6.147,1010 8.899,1011 1.135,1012 11,1013 3.004,1014 6.781,1015 7.876,1016 0.479,1017 12.913,1018 6.565,1019 10.271,1020 1,1021 12.781,1022 2.562,1023 8.25,1024 9.701,1025 0.432,1026 15.492,1027 8.017,1028 11.669,1029 1,1030 14.595,1031 2.372,1032 9.105,1033 10.82,1034 0.346,1035 17.761,1036 8.822,1037 13.087,1038 0.899,1039 16.433,1040 2.136,1041 10.373,1042 12.438,1043 0.291,1044 20.231,1045 10.067,1046 3.3,1047 0.618,1048 18.288,1049 2.104,1050 11.4,1051 13.762,1052 0.237,1053 22.613,1054 11.048,1055 3.118,1056 11.901,1057 20.157,1058 1.49,1059 12.595,1060 15.302,1061 0.195,1062 25.062,1063 12.214,1064 2.753,1065 10.431,1066 22.037,1067 4.518,1068 13.698,1069 16.721,1070 0.158,1071 27.488,1072 13.276,1073 2.594,1074 8.884,1075 23.926,1076 3.731,1077 14.87,1078 18.232,1079 0.129,1080 29.937,1081 14.414,1082 2.41,1083 7.359,1084 25.821,1085 3.3,1086 16.009,1087 19.695,1088 0.104,1089 32.381,1090 15.512,1091 2.038,1092 6.874,1093 27.723,1094 2.812,1095 17.177,1096 21.198,1097 0.084,1098 34.835,1099 16.643,1100 2.003,1101 6.001,1102 29.629,1103 2.597,1104 18.333,1105 22.682,1106 0.068,1107 37.29,1108 17.758,1109 19297,1110 26842,1111 26.118,1112 46.432,1113 57.168,1114 56.026,1115 57.042,1116 56.507,1117 56.447,1118 67.657,1119 3.2,1120 161.041,1121 54.199,1122 5.568,1123 5.524,1124 6.797,1125 5.316,1126 5.3,1127 7.518,1128 1.2,1129 18.565,1130 5.147,1131 11.058,1132 1.504,1133 1.474,1134 1.501,1135 1.487,1136 1.485,1137 1.78,1138 0.084,1139 4.238,1140 1.426,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 6.446,1146 4.07,1147 3.943,1148 4.001,1149 3.826,1150 3.808,1151 5.135,1152 3.801,1153 3.855,1154 3.918,1155 3.789,1156 3.719,1157 4.927,1158 3.714,1159 3.823,1160 3.895,1161 3.714,1162 3.588,1163 4.366,1164 3.625,1165 3.594,1166 3.67,1167 3.453,1168 3.414,1169 4.28,1170 3.417,1171 3.467,1172 3.545,1173 3.314,1174 3.282,1175 4.238,1176 3.28,1177 3.287,1178 3.352,1179 3.173,1180 3.123,1181 4.111,1182 3.125,1183 3.147,1184 3.233,1185 2.969,1186 2.962,1187 3.9,1188 2.947,1189 0.12,1190 0.093,1191 0.184,1192 0.112,1193 0.087,1194 4.568,1195 0.119,1196 3.524,1197 0.021,1198 6.995,1199 0.313,1200 4.256,1201 0.083,1202 3.3,1203 4.518,1204 0.8,1205 11.901,1206 3.147,1207 1.961,1208 1.936,1209 2.12,1210 2.075,1211 1.519,1212 2.088,1213 1.907,1214 1.852,1215 2.064,1216 2.05,1217 1.427,1218 2.055,1219 1.849,1220 1.795,1221 2.027,1222 2.016,1223 1.279,1224 2.031,1225 1.674,1226 1.619,1227 1.882,1228 1.848,1229 1.124,1230 1.863,1231 1.497,1232 1.415,1233 1.76,1234 1.741,1235 1.029,1236 1.751,1237 1.403,1238 1.331,1239 1.587,1240 1.658,1241 0.825,1242 1.639,1243 1.318,1244 1.253,1245 1.514,1246 1.523,1247 0.825,1248 1.527,1249 1.159,1250 1.072,1251 1.513,1252 1.442,1253 0.819,1254 1.43,1255 4.344,1257 5.666,1258 3.045,1259 7.171,1260 5.283,1261 8.758,1262 7.286,1263 10.39,1265 2.203,1270 11.204,1271 15.935,1275 0.833,1276 4.934,1277 -0.519,1280 42.799,1281 102.731,1282 237.625,1283 331.261,1284 385.725,1285 396.745,1286 396.745,1287 56.34,1288 8.256,1289 73.21,1290 73.21,1291 28,1292 12.697,1293 4,1294 3.087,1295 50.472,1296 191,1297 174,1298 0.126,1299 259.994,1300 440.11,1301 626.146,1302 55820,1304 23.382,1305 0.688,1306 0.607,1307 23.382,1308 20.624,1309 16.578,1310 0.436,1311 0.346,1312 13.006,1313 16,1314 12.704,1315 10.515,1316 16.578,1317 13.163,1318 15.113,1319 0.285,1320 0.203,1321 15.113,1322 10.783,1323 12.47,1324 0.183,1325 0.118,1326 12.47,1327 8.034,1328 10.548,1329 0.12,1330 0.069,1331 10.548,1332 6.089,1333 7.909,1334 0.077,1335 0.042,1336 7.909,1337 4.361,1338 0.208,1339 103.308,1340 0.196,1341 32.443,1342 0.321,1343 182,1344 394.708,1345 195.62,1346 388.688,1347 541.6,1348 366,1349 212,1350 409.154,1351 227.509,1352 417.881,1353 605.19,1354 391,1355 8.921} {0 CHEMBL112507,1 1.43,2 14.129,3 3.315,4 10.986,5 125.869,6 6.926,7 0.6,8 4.19,9 4.323,10 3.71,11 3.733,12 5.204,13 3.698,14 4.751,15 4.936,16 4.067,17 4.17,18 5.675,19 4.107,20 5.057,21 5.281,22 4.036,23 4.331,24 5.912,25 4.209,26 5.172,27 5.44,28 3.958,29 4.334,30 5.958,31 4.172,32 5.129,33 5.418,34 3.897,35 4.243,36 5.879,37 4.083,38 5.007,39 5.275,40 3.847,41 4.159,42 5.804,43 4.016,44 4.957,45 5.235,46 3.75,47 4.076,48 5.726,49 3.921,50 4.851,51 5.138,52 3.556,53 3.953,54 5.59,55 3.789,56 0.087,57 0.917,58 13.577,59 5.477,60 13.462,61 7.664,62 0.217,63 1.511,64 24.972,65 9.358,66 17.645,67 13.399,68 0.303,69 1.834,70 35.316,71 13.328,72 36.137,73 18.931,74 0.355,75 1.944,76 40.654,77 15.24,78 44.452,79 22.206,80 0.33,81 1.842,82 39.474,83 14.22,84 40.621,85 21.077,86 0.317,87 1.678,88 34.588,89 12.259,90 37.032,91 18.052,92 0.319,93 1.595,94 33.062,95 11.549,96 34.752,97 17.227,98 0.323,99 1.421,100 29.993,101 9.989,102 31.618,103 15.095,104 2,105 49,106 0.23,107 0.565,108 0.729,109 0.815,110 0.837,111 0.837,112 3.471,113 0.953,114 -5.14,115 -5.04,116 -4.71,119 41.7,121 5,125 3,129 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 6,178 16,182 3,186 4,189 12,193 7,195 1,197 3,199 10,203 7,206 1,208 2,211 8,215 6,218 1,220 2,222 6,226 5,229 2,231 1,233 4,236 1,237 4,242 3,244 6,254 1,256 8,259 1616,260 21.43,261 21.43,262 21.43,263 21.43,264 21.43,265 18.991,266 23.448,267 12.745,268 21.809,269 17.314,270 17.314,271 17.314,272 17.314,273 17.314,274 13.748,275 25.223,276 6.086,277 17.951,278 4.476,279 2.393,280 1.375,281 0.838,282 0.7,283 0.7,284 4.183,288 1,289 1,290 983,291 3.24,294 163.942,295 311.798,298 139.364,302 2.142,303 18.173,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 438,316 4.568,317 3.531,318 6.998,319 4.265,320 3.303,321 4.518,322 0.8,323 11.915,324 3.171,325 4.326,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,332 10.431,333 3.062,334 4.129,335 2.886,336 6.095,337 3.689,338 2.753,339 3.531,341 8.884,342 2.577,343 3.808,344 2.769,345 5.351,346 3.444,347 2.473,348 3.16,350 6.976,351 2.421,352 3.455,353 2.552,354 5.252,355 3.291,356 2.344,357 2.812,359 6.68,360 2.196,361 3.371,362 2.183,363 5.126,364 3.008,365 2.029,366 2.593,368 6,369 1.979,370 3.246,371 1.795,372 4.514,373 2.73,374 1.776,375 2.398,377 4.655,378 1.69,379 2.872,380 1.53,381 4.134,382 2.441,383 1.442,384 2.024,386 3.484,387 1.44,388 2.743,389 1.373,390 3.802,391 2.319,392 1.332,393 1.848,395 3.076,396 1.313,397 2.5,398 1.172,399 3.717,400 2.1,401 1.135,402 1.5,404 2.56,405 1.093,406 2.43,407 1.077,408 3.482,409 2,410 1,411 1.406,413 2.372,414 1,415 2.267,416 1,417 3.333,418 1.984,419 1,420 1.21,422 2.136,423 0.983,424 2.118,425 0.94,426 3.266,427 1.864,428 0.899,429 1,431 2.104,432 0.866,433 2,434 0.685,435 3.247,436 1.572,437 0.618,438 0.927,440 1.491,441 0.587,442 1.997,443 0.618,444 3.158,445 1.518,446 0.614,447 0.834,449 1.372,450 0.556,451 14.833,452 0.478,453 0.66,454 0.021,455 38.25,456 1.234,457 18,458 0.581,459 20.25,460 0.653,461 28.47,462 0.918,463 33.167,464 0.553,465 25.966,466 0.838,467 7.269,468 0.234,469 7.915,470 0.255,471 0.022,472 0.034,473 0.222,479 0.914,480 1.296,481 0.859,482 1.075,483 0.881,484 0.982,485 0.991,486 1.072,487 0.975,488 1.025,489 0.771,490 0.996,491 1.262,492 1.06,493 1.146,494 1.121,495 1.391,496 1.131,497 0.848,498 1.016,499 0.997,500 1.075,501 0.958,502 1.064,503 0.792,504 0.919,505 0.874,506 0.943,507 0.81,508 0.924,509 1.027,510 1.017,511 0.996,512 1.017,513 1.071,514 1.011,515 0.884,516 1.028,517 0.978,518 1.022,519 0.887,520 1.015,521 1.063,522 0.875,523 1.071,524 0.931,525 0.969,526 0.985,527 6,528 0.148,529 3.333,530 1.507,531 1.348,532 0.722,533 0.564,534 0.273,535 0.188,536 0.184,537 16167,538 36185,539 2.192,540 48.3,541 2,542 14,543 1,544 2,545 2,547 4,548 4,550 1.73,551 2.126,552 3.768,553 0.161,555 1,559 85.826,560 1.43,561 3.514,562 4.531,563 5.069,564 5.207,565 5.207,566 3.232,567 4.438,568 4.927,569 3.961,570 1842.05,571 8.565,572 27897.7,574 1,577 354.413,578 1.156,579 4.911,580 0.171,581 0.006,582 0.068,583 0.033,584 0.034,585 0.019,586 0.016,587 0.009,588 0.007,589 0.007,590 0.37,591 0.17,592 0.88,593 0.32,594 165.208,595 0.036,596 -0.091,597 0.067,598 -0.006,599 -0.004,600 0.023,601 -0.012,602 0.068,603 -0.023,604 -0.004,605 0.022,606 -0.011,607 -0.167,608 -0.058,609 -0.176,610 -0.1,611 -0.137,612 -0.134,613 0.032,614 -0.093,615 -0.024,616 -0.067,617 0.031,618 -0.056,619 0.056,620 -0.01,621 0.11,622 0.043,623 0.063,624 0.076,625 -0.027,626 -0.068,627 -0.009,628 -0.034,629 -0.037,630 -0.024,631 0.039,632 -0.083,633 0.01,634 -0.05,635 -0.025,636 -0.032,637 -0.098,638 0.083,639 -0.074,640 0.018,641 -0.124,642 -0.017,643 1.812,644 4.999,645 0.839,646 35.118,647 0.991,648 1.128,649 3.911,650 15.296,651 0.66,652 3.584,653 3.912,654 4.174,655 4.431,656 4.615,657 4.673,658 4.796,659 4.92,660 4.956,661 5.011,662 8.276,663 0.619,664 415.59,665 3.584,666 5.13,667 5.979,668 6.858,669 7.721,670 8.604,671 9.473,672 10.358,673 11.232,674 12.118,675 8.3,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 60,716 21,717 2,718 35,720 64,721 25,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 5,745 16,746 9,747 1,761 1,764 29,765 4,766 2,767 6,773 5,777 0.8,778 1,781 1,788 1,792 2,793 3,796 1,815 1,817 1,819 4,827 31,832 1,833 8,838 1,839 1,844 1,847 1.7,848 1,854 14.583,855 10.417,856 6.708,857 3.741,858 3.559,859 1.438,860 0.983,861 5.796,862 11.68,863 3.839,864 4.431,865 5.009,866 5.596,867 6.033,868 6.356,869 6.8,870 7.224,871 7.401,872 7.621,873 1,874 45,875 11.493,877 4.935,878 7.503,879 22.687,881 19.388,883 2.003,884 62.083,887 1,888 317.82,889 134.929,890 55.135,892 42.683,895 134.929,896 360.503,897 55.135,899 18.99,900 127.541,901 74.105,902 33.51,903 13.915,904 282.506,906 317.82,907 190.064,908 42.683,911 223.651,912 94.169,913 42.683,915 58.036,916 98.702,917 33.326,919 317.82,920 97.818,921 134.929,924 317.82,925 32.835,926 107.118,927 16.786,928 76.009,929 317.82,930 97.818,931 134.929,933 0.581,934 0.335,935 0.18,936 0.094,937 25,938 9,939 0.109,940 7,941 1,942 1.077,943 4.496,944 275.905,945 0.077,946 26,947 141.58,951 20.289,952 8.856,953 4.68,954 2.429,955 79.134,956 22.334,957 7.811,958 3.396,961 3.651,962 1.931,963 59.469,964 550.567,965 45.5,975 59.44,976 67.683,977 0.242,978 0.595,979 0.767,980 0.858,981 0.881,982 0.881,983 5.077,984 1.442,985 5.969,986 4.655,987 4.595,988 5.118,989 0.673,990 6.788,991 4.526,992 6.273,993 1.332,994 7.53,995 3.484,996 4.205,997 4.832,998 0.325,999 7.91,1000 4.077,1001 7.578,1002 1.135,1003 9.202,1004 3.076,1005 6.236,1006 7.305,1007 0.379,1008 10.919,1009 6.097,1010 8.922,1011 1,1012 10.944,1013 2.56,1014 6.723,1015 7.925,1016 0.268,1017 12.897,1018 6.526,1019 10.302,1020 1,1021 12.734,1022 2.372,1023 8.198,1024 9.819,1025 0.239,1026 15.477,1027 7.989,1028 11.705,1029 0.899,1030 14.556,1031 2.136,1032 9.064,1033 10.874,1034 0.188,1035 17.756,1036 8.806,1037 13.127,1038 0.618,1039 16.4,1040 2.104,1041 10.336,1042 12.531,1043 0.156,1044 20.229,1045 10.059,1046 3.303,1047 0.614,1048 18.262,1049 1.491,1050 11.371,1051 13.809,1052 0.125,1053 22.616,1054 11.052,1055 3.118,1056 11.915,1057 20.136,1058 1.372,1059 12.57,1060 15.366,1061 0.102,1062 25.068,1063 12.227,1064 2.753,1065 10.431,1066 22.02,1067 4.518,1068 13.68,1069 16.756,1070 0.082,1071 27.496,1072 13.298,1073 2.473,1074 8.884,1075 23.913,1076 3.731,1077 14.855,1078 18.274,1079 0.066,1080 29.947,1081 14.445,1082 2.344,1083 6.976,1084 25.811,1085 3.531,1086 15.999,1087 19.72,1088 0.054,1089 32.394,1090 15.552,1091 2.029,1092 6.68,1093 27.716,1094 3.16,1095 17.169,1096 21.225,1097 0.043,1098 34.849,1099 16.691,1100 1.776,1101 6,1102 29.624,1103 2.812,1104 18.329,1105 22.699,1106 0.035,1107 37.306,1108 17.815,1109 14717,1110 22191,1111 24.326,1112 39.62,1113 52.765,1114 51.886,1115 52.482,1116 52.192,1117 52.163,1118 67.52,1119 1.6,1120 149.501,1121 50.346,1122 5.568,1123 5.531,1124 6.8,1125 5.325,1126 5.303,1127 7.518,1128 1.2,1129 18.579,1130 5.171,1131 7.311,1132 1.508,1133 1.482,1134 1.499,1135 1.491,1136 1.49,1137 1.929,1138 0.046,1139 4.271,1140 1.438,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 6.446,1146 4.07,1147 3.967,1148 4.007,1149 3.883,1150 3.888,1151 5.135,1152 3.882,1153 3.834,1154 3.907,1155 3.789,1156 3.683,1157 4.927,1158 3.683,1159 3.802,1160 3.857,1161 3.704,1162 3.585,1163 4.747,1164 3.621,1165 3.542,1166 3.604,1167 3.402,1168 3.395,1169 4.297,1170 3.392,1171 3.308,1172 3.37,1173 3.208,1174 3.148,1175 4.243,1176 3.154,1177 3.169,1178 3.248,1179 3.017,1180 2.993,1181 3.92,1182 2.986,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.762,1188 2.91,1189 0.131,1190 0.101,1191 0.2,1192 0.122,1193 0.094,1194 4.568,1195 0.129,1196 3.531,1197 0.023,1198 6.998,1199 0.34,1200 4.265,1201 0.091,1202 3.303,1203 4.518,1204 0.8,1205 11.915,1206 3.171,1207 1.962,1208 1.937,1209 2.098,1210 2.074,1211 1.441,1212 2.084,1213 1.946,1214 1.915,1215 2.042,1216 2.048,1217 1.285,1218 2.046,1219 1.804,1220 1.753,1221 1.981,1222 1.95,1223 1.143,1224 1.965,1225 1.659,1226 1.607,1227 1.864,1228 1.821,1229 1.08,1230 1.838,1231 1.412,1232 1.341,1233 1.596,1234 1.667,1235 0.825,1236 1.647,1237 1.343,1238 1.283,1239 1.513,1240 1.546,1241 0.777,1242 1.544,1243 1.153,1244 1.078,1245 1.501,1246 1.442,1247 0.641,1248 1.429,1249 1.151,1250 1.064,1251 1.428,1252 1.376,1253 0.578,1254 1.393,1255 4.263,1257 5.587,1258 3.045,1259 7.099,1260 5.283,1261 8.695,1262 7.286,1263 10.335,1270 10.999,1271 7.598,1276 2.497,1277 -0.562,1280 37.143,1281 85.826,1282 210.85,1283 271.884,1284 304.149,1285 312.413,1286 312.413,1287 45.757,1288 8.121,1289 69.97,1290 69.97,1291 28,1292 12.652,1293 4.459,1294 3.524,1295 44.036,1296 158,1297 142,1298 0.134,1299 225.233,1300 375.69,1301 541.329,1302 45730,1304 21.098,1305 0.681,1306 0.572,1307 21.098,1308 17.744,1309 15.184,1310 0.434,1311 0.318,1312 11.002,1313 14.71,1314 10.779,1315 8.885,1316 15.184,1317 11.123,1318 13.772,1319 0.281,1320 0.178,1321 13.772,1322 8.745,1323 11.675,1324 0.182,1325 0.102,1326 11.675,1327 6.551,1328 9.72,1329 0.117,1330 0.057,1331 9.72,1332 4.706,1333 7.598,1334 0.076,1335 0.034,1336 7.598,1337 3.394,1338 0.219,1339 94.248,1340 0.203,1341 29.905,1342 0.344,1343 168,1344 393.063,1345 179.871,1346 390.839,1347 547.25,1348 368,1349 197,1350 416.394,1351 209.789,1352 424.988,1353 615,1354 400,1355 10} {0 CHEMBL112558,1 1.479,2 15.606,3 1.874,4 3.512,5 131.31,6 6.963,7 0.568,8 4.259,9 4.399,10 3.777,11 3.759,12 5.282,13 3.734,14 4.82,15 5.015,16 4.121,17 4.186,18 5.755,19 4.133,20 5.115,21 5.348,22 4.098,23 4.34,24 5.995,25 4.227,26 5.22,27 5.494,28 3.981,29 4.333,30 6.003,31 4.177,32 5.179,33 5.481,34 3.89,35 4.239,36 5.892,37 4.075,38 5.04,39 5.318,40 3.917,41 4.168,42 5.834,43 4.034,44 5.008,45 5.271,46 3.928,47 4.151,48 5.866,49 4.033,50 5.006,51 5.275,52 3.773,53 4.125,54 5.826,55 3.976,56 0.086,57 1.016,58 14.608,59 5.466,60 14.399,61 7.934,62 0.253,63 1.628,64 27.048,65 9.136,66 21.72,67 13.665,68 0.426,69 1.922,70 37.869,71 13.047,72 45.537,73 19.255,74 0.444,75 1.988,76 43.164,77 14.443,78 48.613,79 21.979,80 0.443,81 1.85,82 42.171,83 13.694,84 43.368,85 21.19,86 0.377,87 1.677,88 36.082,89 12.017,90 39.814,91 18.354,92 0.37,93 1.669,94 34.712,95 11.166,96 42.177,97 17.029,98 0.423,99 1.623,100 34.885,101 11.224,102 44.249,103 17.045,104 2,105 51,106 0.235,107 0.599,108 0.775,109 0.85,110 0.864,111 0.864,112 3.531,113 0.948,114 -3.63,115 -3.6,116 -3.43,119 39.1,121 4,125 5,129 1,140 6,141 2,142 1,143 1,144 1,149 1,150 1,158 2,164 1,169 7,171 2,172 7,176 5,178 7,182 4,184 1,185 1,186 6,189 5,193 6,195 1,197 2,199 5,203 6,206 2,208 1,211 4,215 6,218 2,220 2,222 5,226 3,229 2,231 3,233 4,236 2,237 4,242 5,244 4,249 1,254 2,256 2,259 2030,260 22.844,261 22.844,262 22.844,263 22.844,264 22.844,265 20.405,266 27.658,267 13.648,268 23.344,269 18.287,270 18.287,271 18.287,272 18.287,273 18.287,274 14.705,275 33.692,276 6.49,277 19.114,278 4.521,279 2.227,280 1.121,281 0.649,282 0.562,283 0.562,284 4.242,289 1,290 1149,291 3.536,294 180.537,295 347.19,298 154.343,302 2.551,303 21.681,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70.5,315 515,316 4.568,317 3.5,318 6.972,319 4.237,320 3.28,321 4.518,322 0.8,323 11.778,324 3.131,325 4.28,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,331 0.657,332 10.431,333 3.062,334 4.129,335 2.885,336 6.095,337 3.689,338 2.753,339 3.446,341 8.884,342 2.577,343 3.894,344 2.766,345 5.34,346 3.48,347 2.518,348 3.277,350 6.966,351 2.422,352 3.458,353 2.73,354 5.309,355 3.328,356 2.407,357 2.812,359 6.87,360 2.216,361 3.377,362 2.183,363 5.126,364 3.009,365 2.03,366 2.593,368 6,369 1.981,370 3.246,371 1.795,372 4.514,373 2.73,374 1.776,375 2.4,377 4.655,378 1.691,379 2.939,380 1.74,381 4.134,382 2.537,383 1.565,384 2.106,386 3.485,387 1.52,388 2.743,389 1.38,390 3.817,391 2.324,392 1.338,393 1.849,395 3.263,396 1.318,397 2.5,398 1.323,399 3.802,400 2.12,401 1.16,402 1.5,404 2.62,405 1.112,406 2.432,407 1.168,408 3.584,409 2.02,410 1.081,411 1.41,413 2.391,414 1.012,415 2.287,416 1.077,417 3.449,418 1.984,419 1,420 1.249,422 2.372,423 0.983,424 2.211,425 1,426 3.314,427 1.958,428 1,429 1.17,431 2.136,432 0.955,433 2.118,434 0.939,435 3.247,436 1.861,437 0.897,438 1,440 2.097,441 0.862,442 2,443 0.684,444 3.174,445 1.568,446 0.618,447 0.927,449 1.479,450 0.583,451 15.633,452 0.474,453 0.66,454 0.02,455 40.25,456 1.22,457 18,458 0.545,459 22.25,460 0.674,461 30.623,462 0.928,463 35.967,464 0.562,465 28.024,466 0.849,467 7.764,468 0.235,469 8.42,470 0.255,471 0.021,472 0.032,473 0.211,479 0.957,480 1.428,481 0.861,482 1.136,483 0.883,484 1.011,485 1.083,486 1.131,487 0.993,488 1.032,489 0.82,490 0.997,491 1.183,492 1.061,493 1.122,494 1.112,495 1.325,496 1.121,497 0.969,498 1.036,499 1.048,500 1.077,501 1.05,502 1.081,503 0.809,504 0.848,505 0.891,506 0.896,507 0.775,508 0.902,509 0.821,510 0.952,511 0.873,512 0.951,513 0.8,514 0.926,515 1.084,516 1.014,517 1.002,518 1.015,519 1.14,520 1.004,521 1.185,522 0.924,523 1.165,524 1.045,525 1.314,526 1.097,527 6,528 0.152,529 3.556,530 1.257,531 1.108,532 0.931,533 0.607,534 0.241,535 0.253,536 0.241,537 19889,538 46603,539 2.18,540 48.4,541 2,542 16,543 1,544 3,545 3,547 2,548 4,550 1.745,551 2.118,552 3.893,553 0.832,559 94.672,560 1.479,561 3.773,562 4.879,563 5.351,564 5.438,565 5.438,566 3.392,567 4.56,568 5.015,569 4.112,570 2171.16,571 8.739,572 35401.7,574 1,577 384,578 1.114,579 5.003,580 0.162,581 0.006,582 0.07,583 0.027,584 0.028,585 0.025,586 0.016,587 0.006,588 0.008,589 0.009,590 0.355,591 0.33,592 0.88,593 0.306,594 180.946,595 -0.001,596 -0.166,597 0.065,598 -0.035,599 -0.004,600 0.01,601 -0.071,602 0.039,603 -0.035,604 -0.003,605 0.002,606 -0.009,607 -0.088,608 -0.044,609 -0.148,610 -0.088,611 -0.074,612 -0.123,613 -0.035,614 -0.105,615 -0.069,616 -0.079,617 -0.051,618 -0.08,619 0.035,620 0.043,621 0.097,622 0.076,623 0.022,624 0.092,625 0.085,626 -0.022,627 0.109,628 0.044,629 0.12,630 0.074,631 -0.033,632 -0.038,633 -0.012,634 -0.033,635 -0.034,636 -0.022,637 -0.131,638 0.042,639 -0.175,640 -0.069,641 -0.187,642 -0.119,643 1.874,644 4.941,645 0.788,646 42.746,647 0.994,648 1.136,649 2.403,650 5.777,651 0.65,652 3.638,653 3.951,654 4.205,655 4.431,656 4.605,657 4.673,658 4.779,659 4.89,660 4.97,661 5.05,662 9.109,663 0.612,664 445.63,665 3.638,666 5.176,667 6.019,668 6.887,669 7.743,670 8.615,671 9.478,672 10.354,673 11.221,674 12.099,675 10.9,677 1,678 1,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 64,716 21,717 1,718 37,720 68,721 25,722 15,723 3,724 3,730 5,731 6,740 2,741 1,743 4,745 15,746 10,747 1,764 31,765 6,766 3,767 8,773 7,777 0.8,778 1,781 1,786 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 33,832 1,833 9,834 1,838 1,839 1,844 1,847 1.6,848 1,854 15.583,855 11.033,856 7.208,857 3.914,858 3.505,859 1.427,860 0.976,861 6.72,862 11.718,863 3.882,864 4.454,865 5.022,866 5.589,867 6.016,868 6.336,869 6.775,870 7.194,871 7.392,872 7.621,873 1,874 47,875 12.222,877 5.204,878 7.533,879 24.006,881 20.229,883 2.033,884 67.083,888 329.591,889 126.272,890 89.931,892 42.683,895 126.272,896 372.274,897 89.931,899 20.667,900 126.599,901 102.662,902 42.128,903 13.915,904 282.506,906 329.591,907 216.204,908 42.683,911 258.964,912 70.627,913 42.683,915 89.528,916 76.564,917 50.112,919 329.591,920 132.615,921 126.272,924 329.591,925 34.083,926 97.213,927 34.796,928 92.795,929 329.591,930 132.615,931 126.272,933 0.577,934 0.332,935 0.174,936 0.089,937 25,938 9,939 0.132,940 9,941 1,942 1.077,943 4.735,944 293.066,945 0.077,946 26,947 158.465,951 22.084,952 10.041,953 5.439,954 2.413,955 113.93,956 19.67,957 12.137,958 3.393,961 3.414,962 1.927,963 77.48,964 588.478,965 47.5,975 63.643,976 72.68,977 0.247,978 0.629,979 0.813,980 0.892,981 0.906,982 0.906,983 5.113,984 1.565,985 5.999,986 4.655,987 4.635,988 5.142,989 1.038,990 6.801,991 4.55,992 6.299,993 1.338,994 7.551,995 3.485,996 4.205,997 4.832,998 0.325,999 7.91,1000 4.066,1001 7.598,1002 1.16,1003 9.215,1004 3.263,1005 6.26,1006 7.313,1007 0.607,1008 10.902,1009 6.094,1010 8.936,1011 1.081,1012 10.951,1013 2.62,1014 6.723,1015 7.925,1016 0.268,1017 12.876,1018 6.507,1019 10.311,1020 1,1021 12.735,1022 2.391,1023 8.205,1024 9.82,1025 0.359,1026 15.437,1027 7.964,1028 11.71,1029 1,1030 14.552,1031 2.372,1032 9.056,1033 10.872,1034 0.188,1035 17.71,1036 8.771,1037 13.129,1038 0.897,1039 16.392,1040 2.136,1041 10.328,1042 12.528,1043 0.214,1044 20.167,1045 10.015,1046 3.28,1047 0.618,1048 18.25,1049 2.097,1050 11.351,1051 13.804,1052 0.125,1053 22.544,1054 10.999,1055 3.118,1056 11.778,1057 20.121,1058 1.479,1059 12.546,1060 15.361,1061 0.129,1062 24.982,1063 12.163,1064 2.753,1065 10.431,1066 22.001,1067 4.518,1068 13.645,1069 16.751,1070 0.082,1071 27.398,1072 13.226,1073 2.518,1074 8.884,1075 23.89,1076 3.731,1077 14.815,1078 18.269,1079 0.079,1080 29.836,1081 14.362,1082 2.407,1083 6.966,1084 25.785,1085 3.446,1086 15.95,1087 19.715,1088 0.054,1089 32.27,1090 15.46,1091 2.03,1092 6.87,1093 27.685,1094 3.277,1095 17.114,1096 21.22,1097 0.048,1098 34.713,1099 16.589,1100 1.776,1101 6,1102 29.59,1103 2.812,1104 18.265,1105 22.695,1106 0.035,1107 37.156,1108 17.703,1109 18167,1110 27975,1111 25.712,1112 41.631,1113 55.328,1114 54.604,1115 55.042,1116 54.773,1117 54.745,1118 70.112,1119 2.915,1120 154.671,1121 52.388,1122 5.568,1123 5.5,1124 6.774,1125 5.297,1126 5.28,1127 7.518,1128 1.457,1129 18.442,1130 5.131,1131 7.63,1132 1.495,1133 1.476,1134 1.488,1135 1.48,1136 1.48,1137 1.895,1138 0.079,1139 4.18,1140 1.416,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 6.446,1146 4.07,1147 3.929,1148 3.984,1149 3.841,1150 3.792,1151 5.135,1152 3.797,1153 3.852,1154 3.911,1155 3.79,1156 3.718,1157 4.928,1158 3.721,1159 3.823,1160 3.89,1161 3.755,1162 3.588,1163 4.889,1164 3.625,1165 3.57,1166 3.638,1167 3.432,1168 3.405,1169 4.316,1170 3.405,1171 3.387,1172 3.469,1173 3.258,1174 3.194,1175 4.252,1176 3.201,1177 3.266,1178 3.337,1179 3.135,1180 3.092,1181 4.147,1182 3.092,1183 3.111,1184 3.206,1185 2.938,1186 2.941,1187 3.898,1188 2.91,1189 0.123,1190 0.095,1191 0.188,1192 0.115,1193 0.089,1194 4.568,1195 0.122,1196 3.5,1197 0.022,1198 6.972,1199 0.318,1200 4.237,1201 0.085,1202 3.28,1203 4.518,1204 0.8,1205 11.778,1206 3.131,1207 1.961,1208 1.936,1209 2.069,1210 2.065,1211 1.428,1212 2.069,1213 1.875,1214 1.826,1215 2.03,1216 2.044,1217 1.278,1218 2.041,1219 1.828,1220 1.782,1221 1.968,1222 1.974,1223 1.123,1224 1.976,1225 1.67,1226 1.616,1227 1.876,1228 1.838,1229 1.051,1230 1.854,1231 1.429,1232 1.355,1233 1.646,1234 1.686,1235 0.831,1236 1.674,1237 1.38,1238 1.311,1239 1.565,1240 1.624,1241 0.825,1242 1.615,1243 1.275,1244 1.201,1245 1.513,1246 1.491,1247 0.704,1248 1.502,1249 1.153,1250 1.064,1251 1.48,1252 1.442,1253 0.583,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.132,1260 5.283,1261 8.715,1262 7.286,1263 10.343,1270 10.941,1271 7.96,1272 3.376,1276 2.477,1277 -0.624,1280 39.186,1281 94.672,1282 241.457,1283 312.226,1284 342.49,1285 348,1286 348,1287 50.413,1288 8.213,1289 94.89,1290 94.89,1291 28,1292 12.639,1293 4.459,1294 3.524,1295 48.319,1296 184,1297 175,1298 0.125,1299 238.822,1300 397.69,1301 574.485,1302 53487,1304 22.512,1305 0.682,1306 0.57,1307 22.512,1308 18.821,1309 16.184,1310 0.437,1311 0.316,1312 11.529,1313 15.57,1314 11.317,1315 9.328,1316 16.184,1317 11.689,1318 14.46,1319 0.284,1320 0.177,1321 14.46,1322 9.007,1323 12.286,1324 0.186,1325 0.101,1326 12.286,1327 6.661,1328 9.971,1329 0.12,1330 0.056,1331 9.971,1332 4.657,1333 7.675,1334 0.078,1335 0.033,1336 7.675,1337 3.29,1338 0.206,1339 101.202,1340 0.197,1341 31.78,1342 0.316,1343 176,1344 435.041,1345 190.98,1346 428.777,1347 596.69,1348 404,1349 205,1350 449.985,1351 221.369,1352 457.274,1353 660.74,1354 430,1355 8.495} {0 CHEMBL113238,1 1.35,2 6.636,3 3.69,4 13.615,5 90.962,6 6.692,7 0.48,8 3.878,9 4.002,10 3.385,11 3.435,12 4.831,13 3.394,14 4.464,15 4.658,16 3.747,17 3.861,18 5.309,19 3.803,20 4.737,21 4.932,22 3.948,23 4.136,24 5.552,25 4.046,26 4.931,27 5.16,28 3.953,29 4.226,30 5.687,31 4.104,32 5.013,33 5.256,34 3.925,35 4.237,36 5.786,37 4.108,38 4.93,39 5.186,40 3.62,41 4.102,42 5.689,43 3.918,44 4.805,45 5.119,46 3.109,47 3.786,48 5.469,49 3.533,50 4.351,51 4.704,52 2.16,53 3.157,54 4.934,55 2.838,56 0.042,57 0.627,58 10.248,59 4.258,60 8.062,61 5.918,62 0.19,63 1.079,64 19.537,65 6.859,66 15.405,67 9.844,68 0.244,69 1.411,70 25.36,71 9.949,72 17.751,73 14.137,74 0.191,75 1.624,76 31.077,77 12.343,78 21.243,79 17.619,80 0.308,81 1.709,82 34.512,83 12.86,84 28.266,85 18.281,86 0.284,87 1.53,88 31.615,89 12.473,90 29.748,91 17.767,92 0.204,93 1.259,94 28.439,95 10.996,96 28.333,97 15.964,98 0.199,99 0.745,100 18.574,101 6.607,102 21.066,103 9.698,104 6,105 36,106 0.236,107 0.527,108 0.73,109 0.838,110 0.876,111 0.884,112 3.15,113 0.956,114 -4.27,115 -4.21,116 -3.97,119 43.2,121 1,124 2,125 3,127 1,140 7,141 3,142 2,169 11,172 3,178 12,181 2,182 8,189 10,193 7,199 7,203 7,211 7,214 1,215 5,222 5,226 3,233 3,259 474,260 15.301,261 15.301,262 15.301,263 15.301,264 15.301,265 13.846,266 21.942,267 8.939,268 15.675,269 12.307,270 12.307,271 12.307,272 12.307,273 12.307,274 10.084,275 33.846,276 4.152,277 12.821,278 4.11,279 2.441,280 1.277,281 0.66,282 0.443,283 0.398,284 3.852,287 1,288 1,289 1,290 322,291 2.236,295 95.506,296 31.716,300 163.808,302 0.851,303 9.438,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46,315 146,316 4.549,317 3.611,318 6.998,319 4.273,320 3.31,321 4.131,322 0.916,323 11.968,324 3.192,325 4.19,326 3.077,327 6.434,328 3.818,329 2.838,330 3.798,331 0.86,332 9.9,333 2.78,334 3.675,335 2.855,336 5.784,337 3.498,338 2.54,339 2.793,340 0.8,341 7.895,342 2.43,343 3.341,344 2.489,345 5.174,346 3.039,347 2.097,348 2.589,349 0.68,350 6.086,351 1.972,352 3.13,353 2.403,354 4.966,355 2.926,356 2,357 2.191,358 0.172,359 5.752,360 1.845,361 2.934,362 1.751,363 4.571,364 2.564,365 1.579,366 2.095,368 4.323,369 1.552,370 2.866,371 1.525,372 4.02,373 2.421,374 1.426,375 2.014,377 3.193,378 1.418,379 2.568,380 1.3,381 3.74,382 2.184,383 1.203,384 1.589,386 2.845,387 1.176,388 2.178,389 1.097,390 3.585,391 1.983,392 1,393 1.147,395 2.537,396 0.982,397 1.696,398 1.062,399 3.198,400 1.47,401 0.587,402 0.634,404 1.131,405 0.512,406 1.391,407 0.442,408 2.859,409 1.118,410 0.14,411 0.167,413 0.326,414 0.136,415 1.155,416 0.279,417 2.639,418 0.954,424 0.743,425 -0.225,426 2.388,427 0.466,428 -0.502,429 -0.556,431 -1.248,432 -0.483,433 0.623,434 -0.297,435 2.277,436 0.27,437 -0.664,438 -0.797,440 -1.44,441 -0.61,442 0.584,443 -0.516,444 2.14,445 0.212,446 -0.768,447 -0.932,449 -1.981,450 -0.745,451 10.633,452 0.483,453 0.483,454 0.022,455 27.5,456 1.25,457 13,458 0.591,459 14.5,460 0.659,461 18.716,462 0.851,463 23.567,464 0.536,465 18.544,466 0.843,467 5.497,468 0.25,469 5.278,470 0.24,471 0.094,473 0.357,479 0.904,480 1.388,481 0.863,482 1.142,483 0.848,484 1.019,485 1.587,486 0.93,487 0.977,488 0.778,489 1.12,490 0.803,491 0.888,492 1.072,493 1.015,494 1.041,495 0.824,496 1.035,497 0.85,498 1.131,499 0.981,500 1.091,501 0.815,502 1.053,503 1.372,504 0.988,505 1.079,506 0.986,507 1.217,508 1.003,509 0.956,510 1.102,511 1.167,512 1.182,513 1.11,514 1.197,515 0.768,516 0.989,517 0.992,518 1.067,519 0.909,520 1.057,521 1.224,522 0.667,523 0.978,524 0.764,525 1.378,526 0.842,527 3.5,529 2.444,530 1.875,531 1.759,532 0.83,533 0.594,534 0.189,535 0.052,537 4191,538 8406,539 2.176,540 50,541 2,542 20,550 1.658,551 2.063,552 2.742,553 -0.851,555 1,557 1,559 59.397,560 1.35,561 3.018,562 4.183,563 4.8,564 5.016,565 5.061,566 1.929,567 4.096,568 4.435,569 2.81,570 649.172,571 7.684,572 6808.24,574 1,576 1,577 240.215,578 1.322,579 4.403,580 0.14,582 0.068,583 0.044,584 0.042,585 0.021,586 0.022,587 0.014,588 0.013,590 0.363,591 0.83,592 1,593 0.72,594 96.175,595 0.061,596 -0.226,597 0.097,598 -0.082,599 0.08,600 -0.006,601 -0.198,602 0.208,603 0.035,604 0.192,605 -0.095,606 0.147,607 0.072,608 0.026,609 -0.046,610 -0.035,611 -0.009,612 -0.049,613 0.001,614 -0.117,615 -0.019,616 -0.09,617 0.023,618 -0.061,619 -0.138,620 0.01,621 -0.084,622 -0.014,623 -0.11,624 -0.039,625 -0.013,626 -0.15,627 -0.2,628 -0.197,629 -0.073,630 -0.214,631 0.031,632 -0.124,633 -0.025,634 -0.109,635 0.083,636 -0.078,637 -0.117,638 0.149,639 0.025,640 0.15,641 -0.165,642 0.106,643 0.924,644 2.188,645 0.864,646 12.769,647 0.986,648 1.122,649 3.04,650 9.244,651 0.661,652 3.258,653 3.611,654 3.97,655 4.331,656 4.663,657 4.828,658 5.011,659 5.136,660 5.215,661 5.293,662 4.234,663 0.614,664 294.43,665 3.258,666 4.812,667 5.7,668 6.613,669 7.525,670 8.447,671 9.365,672 10.29,673 11.211,674 12.136,675 4.5,678 1,681 1,688 7,693 5,695 12,709 1,712 1,714 44,716 12,717 2,718 25,720 47,721 19,722 12,723 5,724 7,730 4,731 11,740 2,743 2,745 12,746 7,760 1,761 1,764 22,765 3,767 3,773 2,777 0.25,778 1,793 3,794 1,798 3,815 1,819 1,823 2,827 22,833 4,835 1,837 1,838 2,847 2.3,852 1,854 10.667,855 8.483,856 4.833,857 2.651,858 2.535,859 1.332,860 1.006,861 3.493,862 10.174,863 3.466,864 4.043,865 4.63,866 5.208,867 5.762,868 6.013,869 6.416,870 6.802,871 7.157,872 7.471,873 0.6,874 43,875 8.152,877 3.462,878 7.371,879 16.318,881 13.985,883 1.871,884 41.167,885 0.001,887 1,888 258.964,889 112.022,890 6.249,892 11,895 112.022,896 269.964,897 6.249,898 19.279,899 8.852,900 66.334,902 34.805,904 258.964,906 258.964,907 118.27,908 11,911 258.964,912 11,915 11.976,916 106.294,919 258.964,920 17.249,921 112.022,924 258.964,925 26.409,926 91.862,928 11,929 258.964,930 17.249,931 112.022,933 0.58,934 0.358,935 0.217,936 0.131,937 20,938 8,939 0.021,940 1,941 3,942 1.316,943 3.26,944 194.908,945 0.316,946 19,947 98.107,951 13.951,952 5.508,953 2.297,955 17.249,956 15.33,961 6.574,964 388.234,965 31,975 43.367,976 49.358,977 0.247,978 0.553,979 0.766,980 0.879,981 0.919,982 0.927,983 4.727,984 1.203,985 5.694,986 3.193,987 4.29,988 4.727,989 1.77,990 6.572,991 4.217,992 5.912,993 1,994 7.286,995 2.845,996 3.892,997 4.46,998 0.57,999 7.603,1000 3.769,1001 7.219,1002 0.587,1003 8.982,1004 2.537,1005 5.932,1006 6.859,1007 1.371,1008 10.778,1009 5.791,1010 8.56,1011 0.14,1012 10.743,1013 1.131,1014 6.382,1015 7.431,1016 0.581,1017 12.667,1018 6.193,1019 9.937,1021 12.545,1022 0.326,1023 7.881,1024 9.305,1025 1.092,1026 15.362,1027 7.676,1028 11.34,1029 -0.502,1030 14.377,1032 8.728,1033 10.28,1034 0.515,1035 17.593,1036 8.479,1037 12.763,1038 -0.664,1039 16.229,1040 -1.248,1041 10.017,1042 11.921,1043 0.879,1044 20.133,1045 9.746,1046 3.31,1047 -0.768,1048 18.097,1049 -1.44,1050 11.049,1051 13.099,1052 0.441,1053 22.504,1054 10.736,1055 2.838,1056 11.968,1057 19.977,1058 -1.981,1059 12.26,1060 14.625,1061 0.71,1062 24.993,1063 11.919,1064 2.54,1065 9.9,1066 21.867,1067 4.131,1068 13.375,1069 15.907,1070 0.373,1071 27.422,1072 12.994,1073 2.097,1074 7.895,1075 23.765,1076 3.798,1077 14.562,1078 17.375,1079 0.575,1080 29.897,1081 14.149,1082 2,1083 6.086,1084 25.669,1085 2.793,1086 15.715,1087 18.711,1088 0.314,1089 32.352,1090 15.263,1091 1.579,1092 5.752,1093 27.579,1094 2.589,1095 16.896,1096 20.149,1097 0.467,1098 34.825,1099 16.41,1100 1.426,1101 4.323,1102 29.492,1103 2.191,1104 18.067,1105 21.516,1106 0.264,1107 37.291,1108 17.542,1109 4012,1110 5750,1111 17.107,1112 29.08,1113 37.756,1114 37.871,1115 39.342,1116 37.468,1117 37.442,1118 46.295,1119 6.858,1120 111.913,1121 35.992,1122 5.549,1123 5.611,1124 6.68,1125 5.341,1126 5.31,1127 7.131,1128 1.776,1129 19.529,1130 5.192,1131 8.051,1132 1.51,1133 1.515,1134 1.574,1135 1.499,1136 1.498,1137 1.852,1138 0.274,1139 4.477,1140 1.44,1141 4.078,1142 4.111,1143 4.024,1144 4.001,1145 4.878,1146 4.002,1147 3.809,1148 3.832,1149 3.75,1150 3.748,1151 4.704,1152 3.745,1153 3.71,1154 3.781,1155 3.592,1156 3.53,1157 4.377,1158 3.536,1159 3.283,1160 3.34,1161 3.128,1162 3.092,1163 4.319,1164 3.087,1165 3.195,1166 3.291,1167 3.037,1168 2.997,1169 3.892,1170 2.99,1171 3.126,1172 3.206,1173 2.922,1174 2.958,1175 3.766,1176 2.945,1177 3.103,1178 3.179,1179 2.917,1180 2.9,1181 3.629,1182 2.891,1183 2.757,1184 2.851,1185 2.563,1186 2.617,1187 3.444,1188 2.594,1189 0.182,1190 0.144,1191 0.28,1192 0.171,1193 0.132,1194 4.549,1195 0.165,1196 3.611,1197 0.037,1198 6.998,1199 0.479,1200 4.273,1201 0.128,1202 3.31,1203 4.131,1204 0.916,1205 11.968,1206 3.192,1207 1.959,1208 1.936,1209 2.071,1210 2.066,1211 1.35,1212 2.065,1213 1.919,1214 1.888,1215 2.03,1216 2.025,1217 1.253,1218 2.034,1219 1.65,1220 1.585,1221 1.852,1222 1.83,1223 1.006,1224 1.841,1225 1.241,1226 1.185,1227 1.579,1228 1.525,1229 0.78,1230 1.542,1231 1.175,1232 1.088,1233 1.535,1234 1.446,1235 0.632,1236 1.48,1237 1.158,1238 1.083,1239 1.462,1240 1.345,1241 0.625,1242 1.389,1243 1.131,1244 1.046,1245 1.435,1246 1.324,1247 0.557,1248 1.367,1249 0.79,1250 0.726,1251 1.112,1252 1.014,1253 0.281,1254 1.052,1255 3.932,1257 5.273,1259 6.832,1260 2.708,1261 8.492,1262 5.46,1263 10.204,1265 3.993,1271 4.187,1273 5.688,1275 0.41,1276 4.984,1280 27.026,1281 59.397,1282 132.799,1283 184.034,1284 211.195,1285 220.705,1286 222.705,1287 23.756,1288 7.639,1289 15.71,1290 15.71,1291 25,1292 12.642,1293 3.7,1294 2.807,1295 29.427,1296 59,1297 51,1298 0.271,1299 163.472,1300 280.97,1301 390.631,1302 20619,1304 15.104,1305 0.687,1306 0.602,1307 15.104,1308 13.25,1309 10.775,1310 0.431,1311 0.319,1312 7.861,1313 10.422,1314 7.596,1315 6.291,1316 10.775,1317 7.965,1318 9.627,1319 0.267,1320 0.175,1321 9.627,1322 6.315,1323 8.598,1324 0.165,1325 0.096,1326 8.598,1327 4.968,1328 7.762,1329 0.103,1330 0.052,1331 7.762,1332 3.88,1333 6.986,1334 0.067,1335 0.029,1336 6.986,1337 3.077,1338 0.392,1339 67.001,1340 0.242,1341 20.541,1342 0.862,1343 122,1344 275.026,1345 129.375,1346 268.406,1347 382.03,1348 256,1349 149,1350 288.475,1351 158.096,1352 297.743,1353 440.62,1354 279,1355 7.097} {0 CHEMBL113831,1 1.414,2 14.226,3 2.478,4 6.141,5 127.369,6 6.338,7 0.441,8 4.278,9 4.428,10 3.708,11 3.751,12 5.232,13 3.705,14 4.869,15 5.087,16 4.082,17 4.2,18 5.718,19 4.127,20 5.181,21 5.412,22 4.054,23 4.391,24 6.024,25 4.248,26 5.388,27 5.707,28 3.939,29 4.382,30 6.073,31 4.191,32 5.193,33 5.497,34 3.846,35 4.251,36 5.861,37 4.07,38 5.104,39 5.396,40 3.914,41 4.202,42 5.846,43 4.057,44 5.097,45 5.35,46 3.849,47 4.217,48 5.937,49 4.063,50 5.183,51 5.506,52 3.625,53 4.157,54 5.821,55 3.939,56 0.111,57 1.017,58 16.706,59 5.939,60 15.078,61 9.094,62 0.285,63 1.634,64 30.353,65 10.072,66 21.855,67 15.713,68 0.381,69 1.989,70 41.207,71 14.241,72 43.27,73 21.767,74 0.564,75 2.072,76 50.426,77 15.703,78 54.049,79 25.215,80 0.402,81 1.789,82 41.264,83 13.706,84 36.973,85 21.469,86 0.341,87 1.678,88 37.897,89 12.514,90 37.016,91 19.523,92 0.448,93 1.712,94 38.19,95 12.374,96 49.117,97 19.017,98 0.407,99 1.676,100 40.835,101 12.9,102 38.834,103 20.757,104 21,105 49,106 0.225,107 0.549,108 0.725,109 0.789,110 0.802,111 0.802,112 3.471,113 1.008,114 -4.41,115 -4.34,116 -4.09,119 35.8,120 3,121 4,123 1,125 5,129 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 8,171 2,172 5,176 6,178 9,182 3,185 1,186 8,189 5,193 6,195 1,197 1,199 5,203 6,206 2,208 1,211 6,215 4,218 1,220 4,222 9,226 4,229 2,231 2,233 2,236 1,237 6,242 4,244 2,254 2,256 3,259 1675,260 20.516,261 20.516,262 20.516,263 20.516,264 20.516,265 18.828,266 25.851,267 11.904,268 20.945,269 16.782,270 16.782,271 16.782,272 16.782,273 16.782,274 14.244,275 30.344,276 5.637,277 17.498,278 4.652,279 2.623,280 1.515,281 1.116,282 1.034,283 1.034,284 4.164,288 1,289 1,290 954,291 4.243,294 168.731,295 204.19,298 143.943,302 2.248,303 20.476,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 66,315 441,316 4.568,317 3.5,318 6.972,319 4.24,320 3.282,321 4.518,322 0.8,323 11.778,324 3.139,325 4.282,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,331 0.4,332 10.431,333 3.075,334 4.129,335 3.114,336 6.393,337 4.088,338 3.093,339 3.282,341 9.95,342 3.062,343 4.093,344 2.885,345 6.095,346 3.689,347 2.753,348 3.093,350 8.884,351 2.577,352 3.458,353 2.746,354 5.309,355 3.329,356 2.409,357 2.812,359 6.872,360 2.217,361 3.377,362 2.183,363 5.126,364 3.009,365 2.03,366 2.593,368 6,369 1.981,370 3.246,371 1.795,372 4.514,373 2.73,374 1.776,375 2.4,377 4.655,378 1.691,379 2.743,380 1.577,381 4.134,382 2.327,383 1.343,384 1.849,386 3.485,387 1.321,388 2.432,389 1.372,390 3.803,391 2.168,392 1.237,393 1.41,395 2.766,396 1.151,397 2.29,398 1.171,399 3.802,400 2.075,401 1.121,402 1.26,404 2.506,405 1.065,406 2.21,407 1.077,408 3.467,409 1.984,410 1,411 1.178,413 2.372,414 0.983,415 2.118,416 0.939,417 3.319,418 1.862,419 0.898,420 1,422 2.1,423 0.864,424 2,425 0.684,426 3.211,427 1.568,428 0.618,429 0.927,431 1.481,432 0.583,433 1.989,434 0.618,435 3.146,436 1.518,437 0.611,438 0.829,440 1.372,441 0.556,442 1.289,443 0.345,444 3,445 1.182,446 0.215,447 0.228,449 0.524,450 0.207,451 14.733,452 0.475,453 0.945,454 0.03,455 32.25,456 1.04,457 12,458 0.387,459 20.25,460 0.653,461 34.917,462 1.126,463 35.667,464 0.532,465 21.503,466 0.694,467 5.706,468 0.184,469 9.107,470 0.294,471 0.124,472 0.068,473 0.19,479 0.973,480 1.515,481 0.972,482 1.254,483 0.975,484 1.135,485 1.03,486 1.08,487 0.95,488 0.991,489 0.741,490 0.957,491 1.159,492 1.315,493 1.237,494 1.344,495 1.337,496 1.317,497 0.954,498 0.828,499 0.892,500 0.833,501 0.952,502 0.854,503 0.762,504 0.914,505 0.895,506 0.955,507 0.776,508 0.943,509 0.881,510 0.935,511 0.818,512 0.913,513 0.85,514 0.869,515 1.493,516 1.153,517 1.238,518 1.189,519 1.928,520 1.207,521 0.806,522 0.915,523 0.953,524 0.958,525 0.767,526 0.968,527 8,528 0.177,529 3.778,530 1.444,531 1.117,532 1.118,533 0.629,534 0.275,535 0.286,536 0.238,537 15188,538 30751,539 2.069,540 53.7,541 11,542 13,543 1,544 2,545 3,547 2,548 4,550 1.73,551 1.938,552 3.752,553 0.844,559 94.762,560 1.414,561 3.443,562 4.551,563 4.95,564 5.032,565 5.032,566 3.22,567 4.414,568 4.925,569 3.998,570 1858.88,571 8.563,572 28539.4,577 406.428,578 1.528,579 4.874,580 0.235,581 0.007,582 0.077,583 0.034,584 0.029,585 0.032,586 0.016,587 0.008,588 0.011,589 0.01,590 0.459,591 0.17,592 1,593 1.18,594 165.872,595 0.03,596 -0.161,597 0.064,598 -0.042,599 -0.044,600 0.002,601 -0.008,602 0.124,603 0.072,604 0.1,605 0.076,606 0.099,607 -0.089,608 -0.225,609 -0.24,610 -0.257,611 -0.094,612 -0.268,613 -0.006,614 0.059,615 0.075,616 0.107,617 0.001,618 0.101,619 0.052,620 0.016,621 0.063,622 0.028,623 0.006,624 0.043,625 0.058,626 0.013,627 0.155,628 0.084,629 0.151,630 0.126,631 -0.156,632 -0.137,633 -0.222,634 -0.165,635 -0.245,636 -0.205,637 -0.004,638 -0.028,639 0.001,640 -0.016,641 -0.039,642 -0.009,643 1.808,644 4.88,645 0.645,646 37.328,647 0.988,648 1.141,649 3.177,650 10.094,651 0.626,652 3.555,653 3.912,654 4.094,655 4.317,656 4.489,657 4.625,658 4.691,659 4.796,660 4.883,661 4.927,662 8.484,663 0.578,664 424.66,665 3.555,666 5.118,667 5.948,668 6.834,669 7.682,670 8.569,671 9.426,672 10.314,673 11.177,674 12.065,675 9,677 1,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 67,716 15,717 1,718 34,720 70,721 24,722 10,723 3,724 3,730 4,731 5,736 3,737 1,740 2,741 1,743 4,745 10,746 14,747 1,764 36,765 5,766 3,767 7,773 6,777 0.75,778 1,781 1,788 1,792 2,793 2,796 1,814 1,815 1,817 1,819 3,823 3,827 31,832 1,833 9,834 1,838 1,839 2,844 1,847 1.5,848 1,854 16,855 12.5,856 6.583,857 4.13,858 2.749,859 1.35,860 0.931,861 6.704,862 10.614,863 3.75,864 4.324,865 4.844,866 5.419,867 5.838,868 6.269,869 6.721,870 7.152,871 7.349,872 7.572,873 1,874 43,875 11.517,877 4.854,878 7.489,879 22.842,881 19.321,883 1.989,884 61.667,888 388.446,889 112.515,890 73.146,892 42.683,895 112.515,896 431.13,897 73.146,898 26.476,899 20.667,900 98.17,901 74.105,902 30.324,903 13.915,904 353.133,906 388.446,907 185.661,908 42.683,911 317.82,912 70.627,913 42.683,915 104.199,916 48.136,917 33.326,919 388.446,920 115.829,921 112.515,924 388.446,925 31.326,926 86.212,927 34.796,928 76.009,929 388.446,930 115.829,931 112.515,933 0.593,934 0.315,935 0.157,936 0.081,937 24,938 10,939 0.129,940 9,941 1,942 1.1,943 4.379,944 266.963,945 0.1,946 20,947 140.825,951 22.316,952 9.313,953 5.879,954 2.432,955 97.144,956 11.991,957 7.81,958 3.396,961 2.429,962 1.932,963 77.48,964 616.79,965 41.5,975 66.192,976 76.427,977 0.233,978 0.568,979 0.75,980 0.816,981 0.83,982 0.83,983 5.022,984 1.343,985 5.989,986 4.655,987 4.595,988 5.011,989 0.824,990 6.832,991 4.517,992 6.238,993 1.237,994 7.577,995 3.485,996 4.443,997 4.913,998 0.325,999 8.124,1000 4.343,1001 7.565,1002 1.121,1003 9.277,1004 2.766,1005 6.312,1006 7.193,1007 0.413,1008 11.025,1009 6.171,1010 8.928,1011 1,1012 11.044,1013 2.506,1014 6.948,1015 7.935,1016 0.268,1017 13.066,1018 6.788,1019 10.322,1020 0.898,1021 12.853,1022 2.372,1023 8.344,1024 9.723,1025 0.246,1026 15.593,1027 8.151,1028 11.737,1029 0.618,1030 14.688,1031 2.1,1032 9.286,1033 10.855,1034 0.188,1035 17.876,1036 9.072,1037 13.166,1038 0.611,1039 16.54,1040 1.481,1041 10.522,1042 12.458,1043 0.157,1044 20.314,1045 10.28,1046 3.282,1047 0.215,1048 18.406,1049 1.372,1050 11.587,1051 13.781,1052 0.125,1053 22.683,1054 11.322,1055 3.118,1056 11.778,1057 20.281,1058 0.524,1059 12.768,1060 15.314,1061 0.102,1062 25.105,1063 12.476,1064 3.093,1065 10.431,1066 22.162,1067 4.518,1068 13.885,1069 16.73,1070 0.082,1071 27.509,1072 13.567,1073 2.753,1074 9.95,1075 24.05,1076 3.731,1077 15.048,1078 18.239,1079 0.067,1080 29.934,1081 14.703,1082 2.409,1083 8.884,1084 25.942,1085 3.282,1086 16.188,1087 19.7,1088 0.054,1089 32.356,1090 15.815,1091 2.03,1092 6.872,1093 27.839,1094 3.093,1095 17.346,1096 21.202,1097 0.043,1098 34.788,1099 16.945,1100 1.776,1101 6,1102 29.738,1103 2.812,1104 18.497,1105 22.684,1106 0.035,1107 37.221,1108 18.066,1109 14452,1110 20859,1111 22.534,1112 41.91,1113 51.833,1114 50.931,1115 51.246,1116 50.977,1117 51.01,1118 62.22,1119 2.4,1120 150.354,1121 48.945,1122 5.568,1123 5.5,1124 6.569,1125 5.3,1126 5.282,1127 7.518,1128 1.2,1129 18.442,1130 5.139,1131 15.528,1132 1.525,1133 1.498,1134 1.507,1135 1.499,1136 1.5,1137 1.83,1138 0.071,1139 4.422,1140 1.44,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 6.446,1146 4.069,1147 3.916,1148 3.974,1149 3.804,1150 3.762,1151 5.135,1152 3.763,1153 3.829,1154 3.904,1155 3.786,1156 3.639,1157 4.927,1158 3.636,1159 3.763,1160 3.829,1161 3.62,1162 3.585,1163 4.414,1164 3.612,1165 3.558,1166 3.623,1167 3.415,1168 3.4,1169 4.29,1170 3.399,1171 3.341,1172 3.418,1173 3.225,1174 3.157,1175 4.242,1176 3.165,1177 3.228,1178 3.315,1179 3.063,1180 3.009,1181 4.021,1182 3.01,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.881,1188 2.91,1189 0.134,1190 0.103,1191 0.205,1192 0.125,1193 0.097,1194 4.568,1195 0.133,1196 3.5,1197 0.024,1198 6.972,1199 0.346,1200 4.24,1201 0.092,1202 3.282,1203 4.518,1204 0.8,1205 11.778,1206 3.139,1207 1.961,1208 1.936,1209 2.073,1210 2.065,1211 1.43,1212 2.07,1213 1.869,1214 1.815,1215 2.037,1216 2.043,1217 1.289,1218 2.042,1219 1.774,1220 1.714,1221 2.005,1222 1.943,1223 1.26,1224 1.969,1225 1.666,1226 1.613,1227 1.875,1228 1.833,1229 1.119,1230 1.85,1231 1.418,1232 1.346,1233 1.623,1234 1.677,1235 0.833,1236 1.66,1237 1.361,1238 1.295,1239 1.544,1240 1.596,1241 0.825,1242 1.592,1243 1.21,1244 1.118,1245 1.513,1246 1.461,1247 0.685,1248 1.478,1249 1.153,1250 1.064,1251 1.47,1252 1.442,1253 0.579,1254 1.429,1255 4.234,1257 5.58,1258 3.045,1259 7.093,1260 5.283,1261 8.681,1262 7.286,1263 10.311,1265 6.655,1270 10.88,1271 8.496,1272 3.462,1276 2.496,1277 -0.312,1280 38.745,1281 94.762,1282 230.662,1283 304.905,1284 331.634,1285 337.144,1286 337.144,1287 55.61,1288 7.865,1289 82,1290 82,1291 22,1292 12.6,1293 4,1294 3.087,1295 49.9,1296 161,1297 140,1298 0.15,1299 238.611,1300 400.57,1301 573.97,1302 32396,1304 21.899,1305 0.706,1306 0.615,1307 21.899,1308 19.064,1309 14.813,1310 0.436,1311 0.336,1312 11.275,1313 14.273,1314 10.868,1315 9.081,1316 14.813,1317 11.419,1318 14.478,1319 0.295,1320 0.209,1321 14.478,1322 10.247,1323 10.876,1324 0.184,1325 0.107,1326 10.876,1327 6.285,1328 8.723,1329 0.118,1330 0.059,1331 8.723,1332 4.401,1333 6.538,1334 0.074,1335 0.035,1336 6.538,1337 3.06,1338 0.246,1339 92.521,1340 0.211,1341 29.967,1342 0.383,1343 166,1344 373.396,1345 179.259,1346 369.45,1347 511.28,1348 346,1349 191,1350 385.52,1351 205.843,1352 395.753,1353 569.62,1354 368,1355 8.137} {0 CHEMBL113868,1 1.345,2 13.258,3 5.597,4 31.329,5 135.912,6 6.518,7 0.286,8 4.275,9 4.419,10 3.747,11 3.836,12 5.115,13 3.764,14 4.901,15 5.111,16 4.135,17 4.293,18 5.665,19 4.189,20 5.218,21 5.476,22 4.157,23 4.489,24 5.905,25 4.317,26 5.272,27 5.549,28 4.103,29 4.483,30 5.971,31 4.269,32 5.183,33 5.474,34 4.06,35 4.382,36 5.868,37 4.181,38 5.028,39 5.266,40 4.032,41 4.341,42 5.769,43 4.175,44 5.116,45 5.383,46 3.908,47 4.334,48 5.808,49 4.136,50 5.078,51 5.378,52 3.747,53 4.211,54 5.703,55 3.983,56 0.089,57 0.999,58 16.546,59 6.542,60 9.076,61 9.569,62 0.268,63 1.744,64 32.384,65 11.261,66 19.84,67 17.066,68 0.288,69 2.193,70 44.807,71 16.792,72 25.292,73 24.033,74 0.309,75 2.256,76 51.011,77 18.61,78 34.523,79 25.573,80 0.324,81 2.049,82 48.172,83 17.106,84 32.635,85 23.207,86 0.234,87 1.869,88 38.899,89 14.359,90 24.977,91 20.083,92 0.264,93 1.936,94 40.811,95 15.129,96 28.776,97 21.602,98 0.259,99 1.764,100 39.481,101 14.915,102 26.541,103 20.975,104 5,105 49,106 0.214,107 0.526,108 0.746,109 0.842,110 0.868,111 0.868,112 3.472,113 1.083,114 -4.84,115 -4.75,116 -4.46,119 38.8,121 9,124 1,125 3,127 2,134 1,135 1,140 3,141 3,149 1,150 1,157 1,169 14,172 5,174 1,176 5,178 16,182 2,186 5,189 15,193 4,197 4,199 10,203 5,206 1,208 3,211 6,215 5,220 4,222 9,226 3,231 2,233 10,237 3,240 1,242 2,244 10,254 1,256 9,259 1677,260 21.378,261 21.378,262 21.378,263 21.378,264 21.378,265 19.896,266 23.346,267 12.602,268 21.784,269 17.291,270 17.291,271 17.291,272 17.291,273 17.291,274 14.938,275 27.759,276 6.007,277 17.973,278 4.721,279 2.76,280 1.378,281 0.773,282 0.608,283 0.608,284 4.183,289 1,290 917,291 3.082,294 163.527,295 298.805,298 134.545,302 2.202,303 13.77,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64,315 411,316 4.572,317 3.894,318 6.578,319 4.123,320 3.135,321 4.516,322 1.807,323 10.485,324 3.098,325 4.141,326 3.239,327 6.146,328 3.839,329 2.89,330 3.561,331 0.8,332 9.043,333 2.782,334 3.932,335 3.047,336 6.041,337 3.731,338 2.796,339 3.117,340 0.733,341 8.65,342 2.623,343 3.814,344 2.902,345 5.991,346 3.617,347 2.657,348 2.888,349 0.167,350 8.492,351 2.522,352 3.438,353 2.567,354 5.32,355 3.362,356 2.402,357 2.614,359 6.872,360 2.284,361 3.336,362 2.371,363 5.111,364 2.944,365 1.963,366 2.455,368 5.924,369 1.922,370 3.096,371 2.121,372 4.495,373 2.641,374 1.684,375 2.259,377 4.538,378 1.606,379 2.715,380 1.618,381 4.21,382 2.438,383 1.458,384 1.79,386 3.696,387 1.427,388 2.563,389 1.529,390 4.04,391 2.311,392 1.337,393 1.536,395 3.429,396 1.3,397 2.371,398 1.454,399 3.947,400 2.142,401 1.19,402 1.336,404 3.063,405 1.129,406 2.328,407 1.391,408 3.53,409 2.082,410 1.114,411 1.265,413 2.723,414 1.075,415 2.137,416 1.233,417 3.417,418 2,419 1.048,420 1.119,422 2.382,423 1,424 2.079,425 1.14,426 3.414,427 1.99,428 1,429 1.039,431 2.275,432 0.983,433 2.017,434 1,435 3.253,436 1.984,437 1,438 1,440 2.136,441 0.975,442 2,443 0.747,444 3.247,445 1.615,446 0.655,447 0.888,449 1.602,450 0.627,451 15.433,452 0.498,453 0.674,454 0.022,455 30.5,456 0.984,457 10.5,458 0.339,459 20,460 0.645,461 35.599,462 1.148,463 34.367,464 0.513,465 19.926,466 0.643,467 5.156,468 0.166,469 10.014,470 0.323,471 0.086,473 0.311,479 1.088,480 1.349,481 0.826,482 1.025,483 0.784,484 1.047,485 1.261,486 1.14,487 0.875,488 0.966,489 0.674,490 1.011,491 1.116,492 1.029,493 0.956,494 0.975,495 0.885,496 1.038,497 1.042,498 1.051,499 1.146,500 1.098,501 1.314,502 1.052,503 0.971,504 0.883,505 1.101,506 0.973,507 1.299,508 0.849,509 1.142,510 1.182,511 1.17,512 1.165,513 1.19,514 1.126,515 1.144,516 1.092,517 1.066,518 1.08,519 1.085,520 1.133,521 0.761,522 0.949,523 0.911,524 0.963,525 0.895,526 0.983,527 5.5,528 0.096,529 3.778,530 1.736,531 1.217,532 1.056,533 0.566,534 0.299,535 0.341,536 0.192,537 15099,538 26321,539 2.18,540 53.7,541 6,542 15,543 1,545 2,547 12,550 1.733,551 2.09,552 3.677,553 0.129,559 90.099,560 1.345,561 3.306,562 4.688,563 5.293,564 5.458,565 5.458,566 3.155,567 4.543,568 4.923,569 3.878,570 1803.32,571 8.578,572 26473,577 406.428,578 1.215,579 4.907,580 0.157,581 0.004,582 0.077,583 0.037,584 0.03,585 0.025,586 0.013,587 0.009,588 0.012,589 0.007,590 0.371,591 0.17,592 0.88,593 0.415,594 163.44,595 0.044,596 -0.13,597 0.056,598 -0.013,599 0.068,600 0.025,601 0.035,602 -0.007,603 0.02,604 -0.016,605 0.155,606 -0.004,607 -0.099,608 -0.005,609 -0.033,610 -0.012,611 0.008,612 -0.043,613 -0.066,614 -0.05,615 -0.054,616 -0.047,617 -0.098,618 -0.054,619 0.057,620 0.107,621 0.066,622 0.104,623 -0.036,624 0.144,625 -0.093,626 -0.113,627 -0.118,628 -0.117,629 -0.098,630 -0.106,631 -0.137,632 -0.086,633 -0.129,634 -0.116,635 -0.094,636 -0.145,637 0.072,638 -0.021,639 0.02,640 -0.006,641 0.031,642 -0.007,643 0.75,644 2.067,645 0.839,646 36.37,647 0.979,648 1.128,649 3.61,650 13.031,651 0.655,652 3.584,653 3.912,654 4.205,655 4.454,656 4.644,657 4.754,658 4.942,659 5.081,660 5.193,661 5.333,662 7.803,663 0.593,664 436.73,665 3.584,666 5.13,667 5.989,668 6.864,669 7.736,670 8.616,671 9.493,672 10.377,673 11.258,674 12.144,675 6,678 1,682 2,683 1,687 2,688 4,690 1,693 2,695 10,714 67,716 12,717 1,718 35,720 71,721 26,722 8,723 3,724 3,725 2,730 5,731 6,735 1,740 10,743 11,745 11,746 15,750 2,756 1,757 1,759 2,764 36,765 3,766 2,767 5,768 1,773 4,777 0.8,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 1,827 31,833 12,834 1,837 2,838 2,854 14.833,855 11.9,856 6.722,857 4.582,858 2.455,859 1.298,860 1.003,861 6.679,862 10.685,863 3.761,864 4.294,865 4.841,866 5.385,867 5.869,868 6.272,869 6.731,870 7.112,871 7.283,872 7.604,873 0.889,874 47,875 11.558,877 4.927,878 7.285,879 23.622,881 20.695,883 1.785,884 55.333,888 400.217,889 144.227,890 41.045,894 45.192,895 99.035,896 400.217,897 41.045,898 8.396,899 50.263,900 46.952,902 32.04,903 14.2,904 388.446,905 45.192,906 400.217,907 140.08,909 45.192,911 258.964,912 141.253,915 70.173,916 60.431,917 9.476,918 45.192,919 400.217,920 41.045,921 144.227,924 400.217,925 43.686,926 61.597,927 34.796,928 45.192,929 400.217,930 41.045,931 144.227,933 0.583,934 0.344,935 0.182,936 0.092,937 25,938 10,939 0.056,940 4,941 1,942 1.077,943 4.408,944 282.154,945 0.077,946 26,947 149.58,949 1,951 21.48,952 9.638,953 4.863,954 2.658,955 24.259,956 9.183,958 3.496,961 2.838,963 34.796,964 585.489,965 42,971 5.734,972 2.386,974 2.412,975 65.621,976 75.556,977 0.222,978 0.545,979 0.773,980 0.873,981 0.9,982 0.9,983 5.027,984 1.458,985 5.964,986 4.538,987 4.595,988 4.98,989 2.15,990 6.763,991 4.523,992 6.19,993 1.337,994 7.514,995 3.696,996 4.111,997 4.758,998 1.494,999 7.618,1000 3.977,1001 7.482,1002 1.19,1003 9.163,1004 3.429,1005 6.18,1006 7.095,1007 2.8,1008 10.709,1009 6.041,1010 8.809,1011 1.114,1012 10.87,1013 3.063,1014 6.553,1015 7.796,1016 2.741,1017 12.404,1018 6.358,1019 10.173,1020 1.048,1021 12.615,1022 2.723,1023 8.048,1024 9.608,1025 3.769,1026 14.979,1027 7.849,1028 11.563,1029 1,1030 14.386,1031 2.382,1032 8.807,1033 10.739,1034 4,1035 17.014,1036 8.566,1037 12.973,1038 1,1039 16.174,1040 2.275,1041 10.068,1042 12.356,1043 4.853,1044 19.412,1045 9.82,1046 3.135,1047 0.655,1048 17.975,1049 2.136,1050 11.007,1051 13.69,1052 5.239,1053 21.597,1054 10.73,1055 2.89,1056 10.485,1057 19.786,1058 1.602,1059 12.171,1060 15.233,1061 5.985,1062 23.935,1063 11.885,1064 2.796,1065 9.043,1066 21.604,1067 4.516,1068 13.196,1069 16.66,1070 6.458,1071 26.191,1072 12.891,1073 2.657,1074 8.65,1075 23.428,1076 3.561,1077 14.322,1078 18.177,1079 7.14,1080 28.513,1081 14.008,1082 2.402,1083 8.492,1084 25.257,1085 3.117,1086 15.39,1087 19.646,1088 7.662,1089 30.804,1090 15.062,1091 1.963,1092 6.872,1093 27.09,1094 2.888,1095 16.503,1096 21.154,1097 8.307,1098 33.125,1099 16.168,1100 1.684,1101 5.924,1102 28.927,1103 2.614,1104 17.593,1105 22.643,1106 8.858,1107 35.436,1108 17.249,1109 13861,1110 18437,1111 24.156,1112 43.853,1113 53.08,1114 54.233,1115 53.481,1116 52.754,1117 52.66,1118 62.766,1119 7.014,1120 150.621,1121 50.707,1122 5.572,1123 5.894,1124 6.38,1125 5.159,1126 5.135,1127 7.516,1128 3.186,1129 17.275,1130 5.098,1131 10.546,1132 1.517,1133 1.55,1134 1.528,1135 1.507,1136 1.505,1137 1.793,1138 0.2,1139 4.303,1140 1.449,1141 4.153,1142 4.187,1143 4.113,1144 4.078,1145 4.969,1146 4.081,1147 3.9,1148 3.959,1149 3.966,1150 3.779,1151 4.829,1152 3.767,1153 3.862,1154 3.925,1155 3.744,1156 3.732,1157 4.445,1158 3.725,1159 3.797,1160 3.856,1161 3.68,1162 3.665,1163 4.367,1164 3.66,1165 3.449,1166 3.499,1167 3.6,1168 3.365,1169 4.253,1170 3.328,1171 3.291,1172 3.359,1173 3.242,1174 3.197,1175 4.102,1176 3.153,1177 3.137,1178 3.249,1179 2.959,1180 2.943,1181 3.786,1182 2.935,1183 3.119,1184 3.206,1185 2.929,1186 2.941,1187 3.696,1188 2.91,1189 0.131,1190 0.111,1191 0.188,1192 0.118,1193 0.09,1194 4.572,1195 0.129,1196 3.894,1197 0.052,1198 6.578,1199 0.3,1200 4.123,1201 0.089,1202 3.135,1203 4.516,1204 1.807,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.098,1210 2.076,1211 1.476,1212 2.086,1213 1.873,1214 1.817,1215 2.083,1216 2.023,1217 1.346,1218 2.048,1219 1.759,1220 1.713,1221 1.933,1222 1.904,1223 1.286,1224 1.917,1225 1.685,1226 1.629,1227 1.868,1228 1.87,1229 1.143,1230 1.872,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.057,1236 1.795,1237 1.409,1238 1.337,1239 1.627,1240 1.631,1241 0.825,1242 1.636,1243 1.305,1244 1.257,1245 1.516,1246 1.503,1247 0.823,1248 1.525,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.749,1254 1.429,1255 4.263,1257 5.587,1258 3.045,1259 7.099,1260 5.352,1261 8.691,1262 7.38,1263 10.324,1265 2.268,1271 14.606,1272 3.629,1275 1.266,1276 4.856,1280 39.701,1281 90.099,1282 221.531,1283 314.105,1284 354.654,1285 365.673,1286 365.673,1287 42.13,1288 8.231,1289 34.3,1290 66.39,1291 28,1292 12.677,1293 3.7,1294 3,1295 43.872,1296 145,1297 146,1298 0.145,1299 243.948,1300 421.43,1301 586.993,1302 49201,1304 21.209,1305 0.684,1306 0.634,1307 21.709,1308 19.646,1309 15.17,1310 0.433,1311 0.361,1312 12.16,1313 14.593,1314 11.838,1315 9.77,1316 15.459,1317 12.631,1318 13.63,1319 0.278,1320 0.207,1321 14.001,1322 10.152,1323 11.965,1324 0.181,1325 0.122,1326 12.318,1327 8.07,1328 9.889,1329 0.116,1330 0.071,1331 10.222,1332 5.999,1333 7.618,1334 0.074,1335 0.039,1336 7.832,1337 4.066,1338 0.234,1339 96.003,1340 0.203,1341 29.601,1342 0.383,1343 168,1344 320.816,1345 190.25,1346 344.584,1347 484.81,1348 326,1349 199,1350 355.245,1351 218.181,1352 373.272,1353 549.45,1354 353,1355 8.699} {0 CHEMBL113893,1 1.362,2 14.171,3 5.325,4 28.353,5 143.136,6 6.935,7 0.525,8 4.295,9 4.424,10 3.822,11 3.884,12 5.281,13 3.842,14 4.867,15 5.05,16 4.198,17 4.327,18 5.795,19 4.256,20 5.151,21 5.371,22 4.234,23 4.493,24 6.008,25 4.38,26 5.24,27 5.482,28 4.155,29 4.473,30 6.124,31 4.336,32 5.218,33 5.492,34 4.111,35 4.386,36 6.063,37 4.253,38 5.065,39 5.296,40 4.107,41 4.339,42 5.961,43 4.228,44 5.089,45 5.326,46 4.008,47 4.336,48 5.962,49 4.202,50 5.078,51 5.343,52 3.85,53 4.262,54 5.871,55 4.095,56 0.066,57 0.976,58 14.821,59 6.215,60 9.565,61 8.652,62 0.315,63 1.674,64 27.843,65 10.759,66 24.455,67 15.33,68 0.254,69 2.097,70 37.994,71 14.998,72 27.896,73 21.319,74 0.318,75 2.204,76 42.67,77 16.383,78 49.08,79 23.264,80 0.37,81 2.109,82 42.894,83 15.928,84 52.104,85 22.876,86 0.255,87 1.89,88 35.445,89 13.434,90 38.321,91 19.141,92 0.299,93 1.924,94 36.553,95 13.668,96 42.362,97 19.509,98 0.293,99 1.834,100 36.737,101 14.313,102 39.59,103 20.483,104 5,105 57,106 0.213,107 0.565,108 0.776,109 0.872,110 0.895,111 0.904,112 3.588,113 0.952,114 -5.13,115 -5.03,116 -4.71,119 44.8,121 4,124 1,125 3,127 1,134 1,135 1,140 10,141 5,142 1,149 1,150 1,157 1,169 19,171 1,172 5,174 2,176 5,178 23,182 2,186 6,189 22,193 8,197 6,199 15,203 10,206 1,208 4,211 8,215 11,220 4,222 9,226 7,231 2,233 12,237 5,240 1,242 2,244 15,249 1,254 1,256 14,259 2222,260 24.239,261 24.239,262 24.239,263 24.239,264 24.239,265 21.472,266 23.405,267 14.143,268 24.551,269 19.757,270 19.757,271 19.757,272 19.757,273 19.757,274 15.539,275 27.959,276 6.697,277 20.238,278 4.705,279 2.449,280 1.097,281 0.482,282 0.34,283 0.28,284 4.309,289 1,290 1124,291 3.24,294 183.165,295 402.388,298 150.433,299 170.077,302 2.338,303 19.405,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 73,315 496,316 4.572,317 3.699,318 6.578,319 4.123,320 3.136,321 4.516,322 1.706,323 10.485,324 3.099,325 4.501,326 3.239,327 6.519,328 4.041,329 3.055,330 4.432,331 0.8,332 10.253,333 3.015,334 4.137,335 3.057,336 6.14,337 3.835,338 2.863,339 3.561,340 0.728,341 9.024,342 2.79,343 3.906,344 3.026,345 6.034,346 3.725,347 2.775,348 3.15,349 0.167,350 8.609,351 2.633,352 3.813,353 2.887,354 5.973,355 3.582,356 2.607,357 2.892,359 8.416,360 2.522,361 3.458,362 2.336,363 5.199,364 3.059,365 2.085,366 2.8,368 6.242,369 2.03,370 3.339,371 2.14,372 5.111,373 2.94,374 1.957,375 2.61,377 5.923,378 1.921,379 3.118,380 2.098,381 4.505,382 2.631,383 1.64,384 2.427,386 4.543,387 1.62,388 3.1,389 1.618,390 4.247,391 2.618,392 1.618,393 2.285,395 3.852,396 1.618,397 2.77,398 1.606,399 4.176,400 2.321,401 1.347,402 1.902,404 3.653,405 1.309,406 2.714,407 1.454,408 3.989,409 2.275,410 1.282,411 1.791,413 3.293,414 1.273,415 2.537,416 1.388,417 3.927,418 2.201,419 1.229,420 1.489,422 3.012,423 1.187,424 2.341,425 1.278,426 3.585,427 2.111,428 1.135,429 1.316,431 2.791,432 1.104,433 2.307,434 1.233,435 3.417,436 2.055,437 1.074,438 1.191,440 2.383,441 1.051,442 2.137,443 1.14,444 3.414,445 1.984,446 1,447 1.119,449 2.275,450 0.983,451 16.933,452 0.484,453 0.777,454 0.022,455 44.25,456 1.264,457 21.5,458 0.614,459 22.75,460 0.65,461 32.366,462 0.925,463 36.467,464 0.544,465 33.514,466 0.958,467 8.511,468 0.243,469 8.642,470 0.247,471 0.049,473 0.343,479 0.839,480 1.255,481 0.847,482 1.018,483 0.587,484 0.942,485 0.843,486 0.999,487 0.949,488 0.925,489 0.53,490 0.934,491 0.982,492 1.08,493 1.041,494 1.064,495 0.802,496 1.055,497 1.19,498 1.119,499 1.091,500 1.111,501 1.318,502 1.099,503 1.12,504 0.892,505 0.862,506 0.855,507 1.269,508 0.842,509 1.165,510 1.13,511 1.011,512 1.059,513 1.12,514 1.027,515 1.3,516 1.093,517 1.176,518 1.106,519 1.208,520 1.124,521 0.954,522 1,523 1.058,524 1.062,525 1.043,526 1.071,527 6,528 0.138,529 4.667,530 2.111,531 1.461,532 1.257,533 0.73,534 0.346,535 0.352,536 0.254,537 21752,538 43733,539 2.209,540 47.8,542 21,543 1,545 2,547 8,550 1.763,551 2.121,552 3.763,553 0.077,559 91.221,560 1.362,561 3.618,562 4.969,563 5.585,564 5.726,565 5.786,566 3.258,567 4.879,568 5.102,569 3.992,570 2375.2,571 8.93,572 38363.2,577 406.428,578 1.208,579 5.084,580 0.15,581 0.004,582 0.082,583 0.037,584 0.029,585 0.026,586 0.015,587 0.008,588 0.01,589 0.008,590 0.369,591 0.33,592 0.75,593 0.383,594 191.96,595 -0.002,596 -0.1,597 0.071,598 0.003,599 -0.003,600 0.036,601 0.141,602 0.124,603 0.006,604 0.06,605 0.093,606 0.028,607 -0.074,608 -0.049,609 -0.078,610 -0.069,611 -0.002,612 -0.071,613 -0.079,614 -0.135,615 -0.103,616 -0.126,617 -0.057,618 -0.119,619 0.031,620 0.063,621 0.149,622 0.118,623 0.008,624 0.139,625 -0.042,626 -0.116,627 -0.024,628 -0.079,629 0.021,630 -0.054,631 -0.159,632 -0.077,633 -0.187,634 -0.134,635 -0.068,636 -0.157,637 -0.022,638 -0.049,639 -0.072,640 -0.073,641 -0.045,642 -0.077,643 1.708,644 6.008,645 0.857,646 41.414,647 0.987,648 1.12,649 3.905,650 15.246,651 0.674,652 3.714,653 4.06,654 4.382,655 4.654,656 4.868,657 4.977,658 5.153,659 5.288,660 5.412,661 5.525,662 8.496,663 0.629,664 464.66,665 3.714,666 5.273,667 6.146,668 7.033,669 7.917,670 8.806,671 9.694,672 10.584,673 11.474,674 12.366,675 6,678 1,682 2,683 1,687 4,688 11,690 1,693 3,695 21,714 67,716 23,717 3,718 40,720 72,721 30,722 18,723 6,724 10,725 2,730 6,731 8,735 1,740 4,743 5,745 21,746 9,750 2,755 1,757 1,759 2,764 32,765 4,766 2,767 5,773 4,777 0.667,778 1,788 1,789 1,792 2,793 4,796 1,797 1,810 1,811 1,815 1,819 4,823 1,827 35,833 7,834 1,837 1,838 2,847 1.5,850 1,854 16.5,855 12.15,856 7.528,857 4.242,858 4.62,859 1.519,860 1.044,861 6.091,862 13.525,863 3.98,864 4.603,865 5.232,866 5.837,867 6.382,868 6.727,869 7.157,870 7.534,871 7.771,872 7.91,873 1,874 57,875 13.006,877 5.639,878 7.467,879 25.802,881 22.336,883 1.967,884 68.833,888 353.133,889 164.59,890 41.045,892 25.145,895 164.59,896 378.278,897 41.045,898 8.396,899 37.59,900 113.286,901 25.145,902 39.942,903 18.191,904 341.362,906 353.133,907 205.635,908 25.145,911 258.964,912 119.314,915 57.5,916 138.659,917 9.476,919 353.133,920 66.19,921 164.59,924 353.133,925 42.908,926 127.931,927 34.796,928 25.145,929 353.133,930 66.19,931 164.59,933 0.587,934 0.354,935 0.192,936 0.099,937 30,938 12,939 0.056,940 4,941 2,942 1.133,943 4.732,944 342.134,945 0.133,946 30,947 177.525,951 22.39,952 9.522,953 4.487,954 4.734,955 49.404,956 23.117,958 3.466,961 3.543,963 34.796,964 583.913,965 52.5,970 13.008,972 2.213,974 1.284,975 66.105,976 75.015,977 0.224,978 0.596,979 0.819,980 0.921,981 0.944,982 0.954,983 5.232,984 1.64,985 6.129,986 5.923,987 4.745,988 5.291,989 2.072,990 6.954,991 4.7,992 6.436,993 1.618,994 7.695,995 4.543,996 4.29,997 5.103,998 1.404,999 7.861,1000 4.216,1001 7.748,1002 1.347,1003 9.36,1004 3.852,1005 6.354,1006 7.53,1007 2.586,1008 10.966,1009 6.264,1010 9.098,1011 1.282,1012 11.084,1013 3.653,1014 6.758,1015 8.237,1016 2.512,1017 12.705,1018 6.64,1019 10.482,1020 1.229,1021 12.846,1022 3.293,1023 8.252,1024 10.116,1025 3.421,1026 15.298,1027 8.121,1028 11.891,1029 1.135,1030 14.633,1031 3.012,1032 9.039,1033 11.244,1034 3.634,1035 17.367,1036 8.887,1037 13.318,1038 1.074,1039 16.437,1040 2.791,1041 10.304,1042 12.901,1043 4.385,1044 19.783,1045 10.139,1046 3.136,1047 1,1048 18.253,1049 2.383,1050 11.266,1051 14.229,1052 4.744,1053 21.992,1054 11.084,1055 3.055,1056 10.485,1057 20.079,1058 2.275,1059 12.436,1060 15.792,1061 5.402,1062 24.345,1063 12.242,1064 2.863,1065 10.253,1066 21.911,1067 4.516,1068 13.478,1069 17.213,1070 5.84,1071 26.616,1072 13.27,1073 2.775,1074 9.024,1075 23.749,1076 4.432,1077 14.61,1078 18.737,1079 6.444,1080 28.949,1081 14.392,1082 2.607,1083 8.609,1084 25.591,1085 3.561,1086 15.69,1087 20.2,1088 6.926,1089 31.25,1090 15.46,1091 2.085,1092 8.416,1093 27.436,1094 3.15,1095 16.809,1096 21.709,1097 7.499,1098 33.578,1099 16.569,1100 1.957,1101 6.242,1102 29.285,1103 2.892,1104 17.907,1105 23.191,1106 8.004,1107 35.894,1108 17.657,1109 19574,1110 27942,1111 27.739,1112 45.137,1113 61.069,1114 61.903,1115 61.823,1116 60.591,1117 60.587,1118 78.814,1119 6.803,1120 176.637,1121 59.234,1122 5.514,1123 5.699,1124 6.267,1125 5.166,1126 5.136,1127 7.516,1128 2.981,1129 17.358,1130 5.099,1131 11.388,1132 1.527,1133 1.548,1134 1.546,1135 1.515,1136 1.515,1137 1.97,1138 0.17,1139 4.416,1140 1.481,1141 4.159,1142 4.192,1143 4.114,1144 4.085,1145 7.429,1146 4.088,1147 4.079,1148 4.102,1149 4.035,1150 4.031,1151 4.97,1152 4.029,1153 3.868,1154 3.928,1155 3.773,1156 3.738,1157 4.9,1158 3.737,1159 3.823,1160 3.881,1161 3.718,1162 3.67,1163 4.48,1164 3.673,1165 3.514,1166 3.559,1167 3.445,1168 3.399,1169 4.373,1170 3.396,1171 3.42,1172 3.468,1173 3.326,1174 3.291,1175 4.35,1176 3.295,1177 3.268,1178 3.319,1179 3.163,1180 3.09,1181 4.147,1182 3.107,1183 3.136,1184 3.249,1185 2.963,1186 2.948,1187 3.97,1188 2.943,1189 0.114,1190 0.092,1191 0.164,1192 0.103,1193 0.078,1194 4.572,1195 0.113,1196 3.699,1197 0.043,1198 6.578,1199 0.262,1200 4.123,1201 0.077,1202 3.136,1203 4.516,1204 1.706,1205 10.485,1206 3.099,1207 2.07,1208 2.051,1209 2.152,1210 2.135,1211 1.346,1212 2.141,1213 1.994,1214 1.972,1215 2.089,1216 2.072,1217 1.291,1218 2.079,1219 1.762,1220 1.716,1221 1.935,1222 1.919,1223 1.278,1224 1.923,1225 1.685,1226 1.629,1227 1.87,1228 1.873,1229 1.143,1230 1.874,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.056,1236 1.795,1237 1.492,1238 1.45,1239 1.668,1240 1.645,1241 0.749,1242 1.646,1243 1.408,1244 1.336,1245 1.627,1246 1.614,1247 0.705,1248 1.629,1249 1.238,1250 1.197,1251 1.435,1252 1.469,1253 0.69,1254 1.452,1255 4.394,1257 5.733,1258 3.045,1259 7.266,1260 5.352,1261 8.884,1262 7.38,1263 10.545,1265 2.243,1271 7.081,1272 3.125,1275 0.639,1276 4.381,1280 42.176,1281 91.221,1282 242.376,1283 332.944,1284 374.163,1285 383.673,1286 387.673,1287 48.269,1288 8.904,1289 51.37,1290 51.37,1291 34,1292 12.894,1293 4.585,1294 3.755,1295 47.358,1296 182,1297 150,1298 0.125,1299 253.152,1300 433.55,1301 609.452,1302 118509,1304 23.777,1305 0.679,1306 0.579,1307 23.777,1308 20.258,1309 17.153,1310 0.429,1311 0.317,1312 12.578,1313 16.75,1314 12.271,1315 10.128,1316 17.153,1317 12.689,1318 15.526,1319 0.272,1320 0.174,1321 15.526,1322 9.937,1323 13.933,1324 0.176,1325 0.099,1326 13.933,1327 7.793,1328 11.782,1329 0.113,1330 0.055,1331 11.782,1332 5.683,1333 9.35,1334 0.072,1335 0.029,1336 9.35,1337 3.797,1338 0.203,1339 105.592,1340 0.19,1341 32.678,1342 0.328,1343 194,1344 431.691,1345 204.651,1346 431.491,1347 612.2,1348 408,1349 233,1350 466.791,1351 244.319,1352 479.976,1353 706.59,1354 454,1355 9.347} {0 CHEMBL113950,1 1.369,2 13.938,3 5.802,4 33.66,5 139.718,6 6.948,7 0.444,8 4.236,9 4.372,10 3.762,11 3.824,12 5.174,13 3.763,14 4.814,15 5.011,16 4.15,17 4.255,18 5.674,19 4.17,20 5.081,21 5.306,22 4.174,23 4.445,24 5.883,25 4.296,26 5.183,27 5.44,28 4.108,29 4.452,30 5.953,31 4.253,32 5.127,33 5.413,34 4.063,35 4.35,36 5.854,37 4.163,38 4.947,39 5.175,40 4.032,41 4.293,42 5.755,43 4.149,44 5.024,45 5.276,46 3.96,47 4.295,48 5.794,49 4.116,50 4.983,51 5.263,52 3.791,53 4.186,54 5.702,55 3.977,56 0.078,57 0.938,58 14.633,59 5.991,60 10.184,61 8.526,62 0.244,63 1.62,64 28.411,65 10.141,66 21.115,67 14.9,68 0.238,69 2.007,70 38.171,71 14.844,72 26.766,73 20.724,74 0.264,75 2.15,76 46.175,77 17.574,78 37.479,79 23.734,80 0.29,81 1.996,82 45.07,83 16.678,84 35.423,85 22.469,86 0.216,87 1.759,88 33.971,89 12.847,90 25.447,91 17.908,92 0.231,93 1.836,94 36.148,95 13.896,96 30.336,97 19.58,98 0.266,99 1.731,100 39.014,101 14.327,102 30.81,103 19.31,104 10,105 51,106 0.218,107 0.581,108 0.808,109 0.876,110 0.876,111 0.876,112 3.502,113 1.008,114 -5.08,115 -4.97,116 -4.66,119 42.2,120 1,121 4,124 1,125 3,127 1,134 1,135 1,140 7,141 4,142 1,149 1,150 1,157 1,169 15,172 5,174 1,176 5,178 18,182 2,186 5,189 17,193 4,197 4,199 10,203 5,206 1,208 4,211 6,215 5,220 4,222 9,226 4,231 2,233 10,237 3,240 1,242 2,244 10,254 1,256 11,259 1824,260 21.825,261 21.825,262 21.825,263 21.825,264 21.825,265 19.568,266 25.771,267 12.688,268 22.232,269 17.758,270 17.758,271 17.758,272 17.758,273 17.758,274 14.315,275 29.229,276 6.042,277 18.439,278 4.631,279 2.35,280 0.924,281 0.492,282 0.492,283 0.492,284 4.211,289 1,290 992,291 3.162,294 171.569,295 312.172,298 141.615,302 2.32,303 13.588,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 446,316 4.572,317 3.894,318 6.578,319 4.123,320 3.135,321 4.516,322 1.807,323 10.485,324 3.098,325 4.151,326 3.239,327 6.146,328 3.84,329 2.892,330 3.635,331 0.8,332 9.043,333 2.782,334 4.054,335 3.047,336 6.041,337 3.736,338 2.798,339 3.558,340 0.733,341 8.651,342 2.63,343 3.848,344 2.903,345 5.991,346 3.644,347 2.672,348 3.092,349 0.167,350 8.494,351 2.591,352 3.807,353 2.708,354 5.392,355 3.471,356 2.511,357 2.889,359 7.061,360 2.369,361 3.383,362 2.385,363 5.111,364 3.047,365 2.072,366 2.642,368 5.926,369 2.019,370 3.331,371 2.259,372 4.898,373 2.937,374 1.956,375 2.601,377 5.711,378 1.914,379 3.093,380 2.121,381 4.488,382 2.589,383 1.627,384 2.275,386 4.506,387 1.558,388 2.711,389 1.617,390 4.206,391 2.314,392 1.343,393 1.788,395 3.668,396 1.302,397 2.504,398 1.454,399 4.009,400 2.154,401 1.217,402 1.5,404 3.245,405 1.137,406 2.5,407 1.391,408 3.934,409 2.09,410 1.125,411 1.425,413 2.967,414 1.081,415 2.334,416 1.233,417 3.417,418 2.02,419 1.063,420 1.303,422 2.383,423 1.006,424 2.137,425 1.14,426 3.414,427 2,428 1,429 1.12,431 2.275,432 1,433 2.079,434 1,435 3.414,436 1.984,437 1,438 1.04,440 2.275,441 0.983,442 2.018,443 0.753,444 3.253,445 1.617,446 0.656,447 0.89,449 1.604,450 0.629,451 15.933,452 0.498,453 0.78,454 0.024,455 37.5,456 1.172,457 17,458 0.531,459 20.5,460 0.641,461 31.737,462 0.992,463 33.867,464 0.529,465 26.749,466 0.836,467 7.129,468 0.223,469 8.435,470 0.264,471 0.115,473 0.333,479 1.083,480 1.264,481 0.771,482 0.947,483 0.836,484 0.963,485 1.249,486 1.057,487 0.808,488 0.878,489 0.642,490 0.909,491 1.154,492 1.079,493 1.012,494 1.032,495 0.934,496 1.093,497 0.98,498 1.087,499 1.145,500 1.131,501 1.214,502 1.101,503 0.82,504 0.871,505 0.969,506 0.913,507 0.991,508 0.821,509 1.21,510 1.122,511 1.049,512 1.057,513 1.097,514 1.078,515 1.116,516 1.079,517 0.968,518 1.018,519 1,520 1.108,521 1.002,522 0.969,523 1.168,524 1.081,525 1.173,526 1.017,527 6.5,528 0.117,529 4.222,530 1.799,531 1.408,532 1.111,533 0.646,534 0.361,535 0.39,536 0.202,537 16492,538 32841,539 2.154,540 50,541 3,542 18,543 1,545 2,547 8,550 1.74,551 2.043,552 3.738,553 0.115,559 87.618,560 1.369,561 3.65,562 5.076,563 5.508,564 5.508,565 5.508,566 3.269,567 4.429,568 4.968,569 3.939,570 1953.74,571 8.667,572 29536.4,577 384,578 1.317,579 4.943,580 0.181,581 0.004,582 0.083,583 0.037,584 0.034,585 0.026,586 0.015,587 0.01,588 0.013,589 0.007,590 0.408,591 0.17,592 0.88,593 0.476,594 170.868,595 0.027,596 -0.121,597 0.05,598 -0.012,599 0.001,600 0.022,601 0.045,602 0.044,603 0.057,604 0.033,605 0.168,606 0.05,607 -0.139,608 -0.047,609 -0.093,610 -0.07,611 -0.038,612 -0.111,613 -0.063,614 -0.099,615 -0.079,616 -0.091,617 -0.099,618 -0.102,619 0.126,620 0.09,621 0.129,622 0.131,623 0.091,624 0.177,625 -0.119,626 -0.083,627 -0.099,628 -0.089,629 -0.13,630 -0.1,631 -0.112,632 -0.088,633 -0.075,634 -0.083,635 -0.071,636 -0.134,637 -0.01,638 0.005,639 -0.069,640 -0.04,641 -0.07,642 -0.025,643 0.867,644 2.001,645 0.813,646 38.625,647 0.982,648 1.121,649 3.846,650 14.793,651 0.677,652 3.611,653 3.951,654 4.234,655 4.477,656 4.682,657 4.787,658 4.97,659 5.106,660 5.215,661 5.352,662 8.098,663 0.619,664 444.7,665 3.611,666 5.165,667 6.023,668 6.901,669 7.773,670 8.653,671 9.531,672 10.414,673 11.295,674 12.18,675 6.3,678 1,682 2,683 1,687 2,688 8,690 1,693 4,695 16,714 64,716 18,717 2,718 36,720 68,721 27,722 14,723 5,724 7,725 2,730 5,731 6,735 1,736 1,740 4,743 5,745 17,746 10,750 2,756 1,757 1,759 2,764 32,765 3,766 2,767 5,768 1,773 4,777 0.8,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 2,827 32,833 7,834 1,837 1,838 2,854 15.667,855 11.9,856 6.889,857 4.033,858 3.331,859 1.4,860 1.018,861 6.359,862 11.649,863 3.85,864 4.44,865 5.003,866 5.559,867 6.07,868 6.387,869 6.817,870 7.185,871 7.35,872 7.676,873 1,874 49,875 11.854,877 5.015,878 7.37,879 23.758,881 20.295,883 1.87,884 59.833,888 353.133,889 184.227,890 41.045,894 45.192,895 139.035,896 353.133,897 41.045,898 17.222,899 37.59,900 84.857,902 37.982,903 14.2,904 341.362,905 45.192,906 353.133,907 180.08,909 45.192,911 258.964,912 94.169,915 66.325,916 104.278,917 9.476,918 45.192,919 353.133,920 41.045,921 184.227,924 353.133,925 36.956,926 108.328,927 34.796,928 45.192,929 353.133,930 41.045,931 184.227,933 0.589,934 0.345,935 0.177,936 0.093,937 26,938 11,939 0.059,940 4,941 1,942 1.077,943 4.47,944 293.9,945 0.077,946 26,947 154,949 1,951 21.69,952 9.381,953 4.805,954 2.619,955 24.259,956 17.482,958 3.484,961 5.093,963 34.796,964 578.405,965 46,971 5.668,972 2.338,974 2.222,975 62.854,976 71.726,977 0.228,978 0.608,979 0.846,980 0.918,981 0.918,982 0.918,983 5.106,984 1.627,985 6.009,986 5.711,987 4.635,988 5.127,989 2.15,990 6.81,991 4.565,992 6.301,993 1.343,994 7.564,995 4.506,996 4.205,997 4.924,998 1.494,999 7.67,1000 4.083,1001 7.604,1002 1.217,1003 9.214,1004 3.668,1005 6.229,1006 7.297,1007 2.8,1008 10.745,1009 6.096,1010 8.941,1011 1.125,1012 10.919,1013 3.245,1014 6.621,1015 7.948,1016 2.741,1017 12.428,1018 6.441,1019 10.31,1020 1.063,1021 12.661,1022 2.967,1023 8.095,1024 9.8,1025 3.769,1026 14.999,1027 7.905,1028 11.7,1029 1,1030 14.426,1031 2.383,1032 8.858,1033 10.866,1034 4,1035 17.025,1036 8.631,1037 13.108,1038 1,1039 16.209,1040 2.275,1041 10.108,1042 12.506,1043 4.853,1044 19.423,1045 9.871,1046 3.135,1047 0.656,1048 18.005,1049 2.275,1050 11.047,1051 13.788,1052 5.239,1053 21.603,1054 10.781,1055 2.892,1056 10.485,1057 19.811,1058 1.604,1059 12.205,1060 15.339,1061 5.985,1062 23.941,1063 11.928,1064 2.798,1065 9.043,1066 21.625,1067 4.516,1068 13.227,1069 16.731,1070 6.458,1071 26.194,1072 12.932,1073 2.672,1074 8.651,1075 23.446,1076 3.635,1077 14.35,1078 18.248,1079 7.14,1080 28.515,1081 14.044,1082 2.511,1083 8.494,1084 25.272,1085 3.558,1086 15.415,1087 19.696,1088 7.662,1089 30.806,1090 15.095,1091 2.072,1092 7.061,1093 27.103,1094 3.092,1095 16.525,1096 21.201,1097 8.307,1098 33.127,1099 16.197,1100 1.956,1101 5.926,1102 28.938,1103 2.889,1104 17.613,1105 22.677,1106 8.858,1107 35.438,1108 17.275,1109 15213,1110 21616,1111 24.561,1112 43.33,1113 54.957,1114 55.944,1115 55.589,1116 54.365,1117 54.316,1118 68.763,1119 7.014,1120 156.993,1121 52.363,1122 5.514,1123 5.894,1124 6.097,1125 5.161,1126 5.135,1127 7.516,1128 3.186,1129 17.275,1130 5.098,1131 13.497,1132 1.527,1133 1.554,1134 1.544,1135 1.51,1136 1.509,1137 1.91,1138 0.195,1139 4.361,1140 1.455,1141 4.153,1142 4.187,1143 4.114,1144 4.078,1145 4.972,1146 4.081,1147 3.937,1148 3.975,1149 3.983,1150 3.866,1151 4.88,1152 3.859,1153 3.864,1154 3.926,1155 3.797,1156 3.741,1157 4.67,1158 3.737,1159 3.808,1160 3.863,1161 3.732,1162 3.674,1163 4.441,1164 3.671,1165 3.449,1166 3.498,1167 3.611,1168 3.37,1169 4.367,1170 3.332,1171 3.295,1172 3.36,1173 3.243,1174 3.201,1175 4.104,1176 3.164,1177 3.138,1178 3.249,1179 3.007,1180 2.99,1181 3.921,1182 2.965,1183 3.13,1184 3.212,1185 2.956,1186 2.911,1187 3.786,1188 2.877,1189 0.127,1190 0.108,1191 0.183,1192 0.115,1193 0.087,1194 4.572,1195 0.125,1196 3.894,1197 0.05,1198 6.578,1199 0.291,1200 4.123,1201 0.086,1202 3.135,1203 4.516,1204 1.807,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.09,1210 2.075,1211 1.346,1212 2.083,1213 1.915,1214 1.885,1215 2.035,1216 2.006,1217 1.287,1218 2.018,1219 1.761,1220 1.716,1221 1.933,1222 1.902,1223 1.145,1224 1.916,1225 1.685,1226 1.629,1227 1.867,1228 1.869,1229 1.129,1230 1.871,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.056,1236 1.795,1237 1.409,1238 1.337,1239 1.627,1240 1.631,1241 0.749,1242 1.636,1243 1.31,1244 1.264,1245 1.551,1246 1.499,1247 0.696,1248 1.526,1249 1.132,1250 1.068,1251 1.434,1252 1.329,1253 0.625,1254 1.363,1255 4.29,1257 5.624,1258 3.045,1259 7.14,1260 5.352,1261 8.733,1262 7.38,1263 10.368,1265 4.356,1271 7.77,1272 3.379,1275 0.669,1276 4.753,1280 39.648,1281 87.618,1282 233.581,1283 324.839,1284 352.49,1285 352.49,1286 352.49,1287 41.072,1288 8.318,1289 34.3,1290 66.39,1291 28,1292 12.713,1293 4.248,1294 3.459,1295 45.997,1296 156,1297 166,1298 0.142,1299 244.758,1300 419.91,1301 588.97,1302 55100,1304 22.079,1305 0.69,1306 0.62,1307 22.579,1308 19.842,1309 15.564,1310 0.432,1311 0.336,1312 11.627,1313 14.987,1314 11.231,1315 9.312,1316 15.852,1317 12.097,1318 14.252,1319 0.279,1320 0.189,1321 14.623,1322 9.663,1323 12.375,1324 0.182,1325 0.109,1326 12.729,1327 7.425,1328 10.031,1329 0.115,1330 0.061,1331 10.364,1332 5.277,1333 7.909,1334 0.074,1335 0.033,1336 8.123,1337 3.496,1338 0.229,1339 98.366,1340 0.202,1341 30.441,1342 0.372,1343 174,1344 360.816,1345 196.25,1346 388.106,1347 545.35,1348 366,1349 206,1350 401.526,1351 225.181,1352 423.929,1353 619.36,1354 399,1355 9.42} {0 CHEMBL113994,1 1.463,2 14.667,3 5.299,4 28.08,5 141.14,6 7.088,7 0.432,8 4.259,9 4.389,10 3.8,11 3.822,12 5.227,13 3.773,14 4.835,15 5.025,16 4.178,17 4.245,18 5.724,19 4.173,20 5.084,21 5.302,22 4.211,23 4.437,24 5.911,25 4.302,26 5.18,27 5.424,28 4.149,29 4.463,30 5.983,31 4.277,32 5.162,33 5.445,34 4.094,35 4.382,36 5.904,37 4.195,38 4.993,39 5.227,40 4.059,41 4.309,42 5.794,43 4.165,44 5.027,45 5.273,46 4.004,47 4.285,48 5.834,49 4.121,50 4.998,51 5.276,52 3.874,53 4.189,54 5.725,55 3.993,56 0.068,57 0.952,58 14.66,59 6.073,60 10.679,61 8.417,62 0.283,63 1.621,64 28.913,65 10.107,66 24.324,67 14.481,68 0.265,69 1.991,70 38.152,71 14.651,72 28.354,73 20.155,74 0.284,75 2.14,76 45.833,77 17.324,78 39.109,79 23.212,80 0.357,81 2.048,82 46.732,83 17.174,84 39.619,85 23.273,86 0.219,87 1.804,88 35.547,89 13.553,90 26.668,91 18.753,92 0.328,93 1.834,94 36.729,95 13.467,96 35.074,97 19.005,98 0.256,99 1.716,100 37.919,101 14.172,102 30.097,103 19.409,104 11,105 52,106 0.232,107 0.593,108 0.811,109 0.878,110 0.878,111 0.878,112 3.531,113 0.99,114 -4.56,115 -4.48,116 -4.22,119 41.5,121 4,124 2,125 3,127 1,134 1,135 1,140 7,141 3,142 2,149 1,150 1,157 1,169 12,172 7,174 1,176 5,178 14,182 4,186 5,189 15,193 4,197 3,199 10,203 5,206 2,208 3,211 6,215 4,220 4,222 9,225 1,226 3,231 2,233 10,237 3,240 1,242 2,244 8,249 2,254 1,256 8,259 2013,260 22.695,261 22.695,262 22.695,263 22.695,264 22.695,265 20.491,266 27.659,267 13.186,268 23.281,269 18.185,270 18.185,271 18.185,272 18.185,273 18.185,274 14.738,275 32.41,276 6.181,277 19.058,278 4.56,279 2.283,280 0.91,281 0.485,282 0.485,283 0.485,284 4.24,289 1,290 1073,291 3.317,294 179.705,295 326.021,298 148.787,302 2.424,303 15.857,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 69,315 484,316 4.572,317 3.894,318 6.578,319 4.123,320 3.135,321 4.516,322 1.807,323 10.485,324 3.098,325 4.152,326 3.239,327 6.146,328 3.84,329 2.893,330 3.653,331 0.86,332 9.044,333 2.782,334 4.066,335 3.047,336 6.041,337 3.737,338 2.799,339 3.559,340 0.8,341 8.652,342 2.627,343 3.863,344 2.904,345 5.991,346 3.648,347 2.68,348 3.104,349 0.733,350 8.495,351 2.577,352 3.81,353 2.863,354 5.464,355 3.484,356 2.545,357 2.889,358 0.167,359 7.259,360 2.358,361 3.429,362 2.438,363 5.115,364 3.082,365 2.144,366 2.684,368 6.262,369 2.006,370 3.337,371 2.354,372 5.105,373 2.938,374 1.959,375 2.607,377 5.923,378 1.913,379 3.095,380 2.121,381 4.491,382 2.591,383 1.633,384 2.277,386 4.514,387 1.558,388 2.712,389 1.617,390 4.207,391 2.314,392 1.344,393 1.788,395 3.67,396 1.302,397 2.506,398 1.454,399 4.014,400 2.156,401 1.222,402 1.5,404 3.256,405 1.138,406 2.5,407 1.391,408 3.937,409 2.092,410 1.127,411 1.429,413 2.974,414 1.082,415 2.334,416 1.233,417 3.417,418 2.024,419 1.065,420 1.304,422 2.383,423 1.01,424 2.137,425 1.168,426 3.414,427 2,428 1,429 1.12,431 2.275,432 1,433 2.079,434 1.14,435 3.414,436 1.984,437 1,438 1.04,440 2.275,441 0.983,442 2.018,443 1,444 3.254,445 1.618,446 0.659,447 0.89,449 1.605,450 0.63,451 16.267,452 0.493,453 0.742,454 0.022,455 39,456 1.182,457 17.5,458 0.53,459 21.5,460 0.652,461 32.123,462 0.973,463 35.333,464 0.544,465 28.715,466 0.87,467 7.573,468 0.229,469 8.529,470 0.258,471 0.113,473 0.326,479 0.996,480 1.304,481 0.754,482 0.983,483 0.793,484 0.972,485 1.322,486 1.041,487 0.822,488 0.858,489 0.781,490 0.889,491 1.048,492 1.06,493 0.995,494 1.008,495 0.865,496 1.065,497 0.857,498 1.115,499 1.171,500 1.161,501 1.136,502 1.14,503 0.515,504 0.877,505 0.963,506 0.938,507 0.848,508 0.861,509 0.832,510 1.128,511 0.984,512 1.049,513 0.893,514 1.06,515 0.842,516 1.075,517 0.97,518 1.042,519 0.884,520 1.126,521 0.668,522 0.973,523 0.938,524 0.991,525 0.832,526 0.983,527 6.5,528 0.125,529 4.222,530 1.799,531 1.448,532 1.174,533 0.646,534 0.392,535 0.39,536 0.202,537 18029,538 38942,539 2.15,540 49.2,542 21,543 1,545 2,547 8,550 1.748,551 2.041,552 3.801,553 0.132,559 95.072,560 1.463,561 3.739,562 5.112,563 5.538,564 5.538,565 5.538,566 3.253,567 4.741,568 5.012,569 4.002,570 2112.83,571 8.752,572 32926.3,577 391.454,578 1.301,579 4.989,580 0.176,581 0.004,582 0.081,583 0.035,584 0.033,585 0.027,586 0.015,587 0.01,588 0.012,589 0.007,590 0.399,591 0.17,592 0.75,593 0.62,594 178.438,595 0.007,596 -0.152,597 0.052,598 -0.038,599 0.029,600 0.01,601 -0.059,602 0.06,603 0.044,604 0.056,605 0.103,606 0.063,607 -0.121,608 -0.022,609 -0.079,610 -0.04,611 -0.002,612 -0.082,613 -0.078,614 -0.111,615 -0.113,616 -0.111,617 -0.121,618 -0.132,619 0.153,620 0.085,621 0.114,622 0.108,623 0.08,624 0.149,625 -0.045,626 -0.109,627 -0.052,628 -0.073,629 -0.059,630 -0.069,631 0.007,632 -0.062,633 -0.079,634 -0.11,635 -0.019,636 -0.153,637 0.075,638 -0.022,639 0.06,640 0.006,641 0.06,642 0.015,643 0.903,644 1.998,645 0.788,646 41.273,647 0.987,648 1.122,649 3.326,650 11.066,651 0.674,652 3.638,653 3.97,654 4.263,655 4.5,656 4.7,657 4.82,658 4.997,659 5.13,660 5.236,661 5.371,662 8.418,663 0.621,664 460.7,665 3.638,666 5.187,667 6.047,668 6.923,669 7.795,670 8.674,671 9.552,672 10.434,673 11.316,674 12.2,675 6.2,678 1,682 2,683 1,687 2,688 8,690 1,693 4,695 16,712 1,714 65,716 18,717 2,718 37,720 69,721 27,722 14,723 5,724 7,725 2,730 5,731 6,735 1,740 4,743 5,745 17,746 10,750 2,756 1,757 1,759 2,764 32,765 4,766 2,767 6,768 1,773 4,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 2,827 33,833 7,834 1,835 1,837 1,838 2,847 1.5,852 1,854 16.167,855 12.067,856 7.222,857 3.992,858 3.359,859 1.4,860 1.009,861 6.834,862 11.758,863 3.871,864 4.451,865 5.023,866 5.576,867 6.085,868 6.415,869 6.841,870 7.2,871 7.358,872 7.682,873 0.9,874 51,875 12.205,877 5.138,878 7.419,879 24.292,881 20.539,883 1.919,884 63.333,888 353.133,889 188.343,890 41.045,892 11,894 45.192,895 143.151,896 364.133,897 41.045,898 19.279,899 37.59,900 84.857,902 51.04,903 14.2,904 341.362,905 45.192,906 353.133,907 184.196,908 11,909 45.192,911 258.964,912 105.169,915 57.5,916 117.219,917 9.476,918 45.192,919 353.133,920 52.045,921 188.343,924 353.133,925 39.014,926 110.385,927 34.796,928 56.192,929 353.133,930 52.045,931 188.343,933 0.584,934 0.349,935 0.179,936 0.092,937 26,938 11,939 0.072,940 5,941 1,942 1.077,943 4.561,944 304.619,945 0.077,946 26,947 162.465,949 1,951 22.603,952 9.978,953 5.017,954 2.602,955 35.259,956 16.93,958 3.48,961 4.592,963 34.796,964 593.52,965 47,971 5.665,972 2.323,974 2.171,975 64.181,976 72.935,977 0.243,978 0.621,979 0.849,980 0.92,981 0.92,982 0.92,983 5.124,984 1.633,985 6.028,986 5.923,987 4.654,988 5.139,989 2.309,990 6.83,991 4.57,992 6.314,993 1.344,994 7.583,995 4.514,996 4.205,997 4.924,998 1.494,999 7.695,1000 4.063,1001 7.616,1002 1.222,1003 9.234,1004 3.67,1005 6.248,1006 7.307,1007 2.865,1008 10.765,1009 6.094,1010 8.952,1011 1.127,1012 10.94,1013 3.256,1014 6.635,1015 7.956,1016 2.741,1017 12.449,1018 6.428,1019 10.321,1020 1.065,1021 12.681,1022 2.974,1023 8.113,1024 9.809,1025 3.787,1026 15.015,1027 7.899,1028 11.712,1029 1,1030 14.446,1031 2.383,1032 8.874,1033 10.874,1034 4,1035 17.04,1036 8.62,1037 13.12,1038 1,1039 16.229,1040 2.275,1041 10.125,1042 12.514,1043 4.858,1044 19.433,1045 9.863,1046 3.135,1047 0.659,1048 18.024,1049 2.275,1050 11.062,1051 13.795,1052 5.239,1053 21.612,1054 10.772,1055 2.893,1056 10.485,1057 19.829,1058 1.605,1059 12.219,1060 15.345,1061 5.986,1062 23.947,1063 11.92,1064 2.799,1065 9.044,1066 21.642,1067 4.516,1068 13.241,1069 16.737,1070 6.458,1071 26.199,1072 12.924,1073 2.68,1074 8.652,1075 23.461,1076 3.653,1077 14.362,1078 18.253,1079 7.14,1080 28.519,1081 14.036,1082 2.545,1083 8.495,1084 25.286,1085 3.559,1086 15.426,1087 19.7,1088 7.662,1089 30.809,1090 15.088,1091 2.144,1092 7.259,1093 27.115,1094 3.104,1095 16.536,1096 21.205,1097 8.307,1098 33.129,1099 16.191,1100 1.959,1101 6.262,1102 28.949,1103 2.889,1104 17.622,1105 22.68,1106 8.858,1107 35.439,1108 17.269,1109 16699,1110 24712,1111 25.255,1112 43.785,1113 56.039,1114 57.429,1115 57.037,1116 55.578,1117 55.529,1118 69.975,1119 8.734,1120 159.96,1121 53.083,1122 5.514,1123 5.894,1124 6.131,1125 5.164,1126 5.135,1127 7.516,1128 3.186,1129 17.275,1130 5.098,1131 13.846,1132 1.515,1133 1.552,1134 1.542,1135 1.502,1136 1.501,1137 1.891,1138 0.236,1139 4.323,1140 1.435,1141 4.153,1142 4.187,1143 4.114,1144 4.078,1145 4.976,1146 4.081,1147 3.927,1148 3.962,1149 3.982,1150 3.838,1151 4.913,1152 3.838,1153 3.864,1154 3.925,1155 3.794,1156 3.74,1157 4.772,1158 3.736,1159 3.806,1160 3.857,1161 3.732,1162 3.672,1163 4.449,1164 3.67,1165 3.447,1166 3.492,1167 3.611,1168 3.361,1169 4.371,1170 3.327,1171 3.305,1172 3.361,1173 3.243,1174 3.19,1175 4.347,1176 3.147,1177 3.177,1178 3.251,1179 3.082,1180 2.962,1181 4.102,1182 2.964,1183 3.136,1184 3.241,1185 2.957,1186 2.913,1187 3.786,1188 2.889,1189 0.124,1190 0.105,1191 0.178,1192 0.111,1193 0.085,1194 4.572,1195 0.122,1196 3.894,1197 0.049,1198 6.578,1199 0.283,1200 4.123,1201 0.084,1202 3.135,1203 4.516,1204 1.807,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.089,1210 2.075,1211 1.346,1212 2.082,1213 1.884,1214 1.859,1215 1.987,1216 1.993,1217 1.287,1218 1.994,1219 1.759,1220 1.714,1221 1.931,1222 1.9,1223 1.144,1224 1.913,1225 1.685,1226 1.629,1227 1.867,1228 1.869,1229 1.068,1230 1.87,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.05,1236 1.795,1237 1.408,1238 1.336,1239 1.627,1240 1.631,1241 0.749,1242 1.636,1243 1.273,1244 1.238,1245 1.573,1246 1.539,1247 0.695,1248 1.549,1249 1.16,1250 1.093,1251 1.434,1252 1.369,1253 0.577,1254 1.394,1255 4.317,1257 5.645,1258 3.045,1259 7.16,1260 5.352,1261 8.753,1262 7.38,1263 10.388,1265 3.929,1271 7.679,1272 3.348,1273 5.228,1275 0.661,1276 4.725,1280 40.363,1281 95.072,1282 243.034,1283 332.293,1284 359.944,1285 359.944,1286 359.944,1287 43.134,1288 8.399,1289 43.53,1290 75.62,1291 28,1292 12.734,1293 4.248,1294 3.459,1295 48.166,1296 167,1297 187,1298 0.139,1299 248.754,1300 428.7,1301 598.721,1302 61343,1304 22.786,1305 0.69,1306 0.614,1307 23.286,1308 20.251,1309 16.102,1310 0.435,1311 0.33,1312 11.698,1313 15.368,1314 11.329,1315 9.38,1316 16.39,1317 12.21,1318 14.421,1319 0.277,1320 0.183,1321 14.792,1322 9.526,1323 12.784,1324 0.183,1325 0.107,1326 13.137,1327 7.463,1328 10.341,1329 0.116,1330 0.06,1331 10.675,1332 5.314,1333 8.006,1334 0.073,1335 0.032,1336 8.221,1337 3.458,1338 0.225,1339 102.709,1340 0.199,1341 31.297,1342 0.361,1343 178,1344 408.552,1345 203.129,1346 425.55,1347 593.15,1348 402,1349 211,1350 432.072,1351 232.838,1352 452.747,1353 660.68,1354 425,1355 9.337} {0 CHEMBL114012,1 1.44,2 10.75,3 4.696,4 22.051,5 116.243,6 6.677,7 0.355,8 4.161,9 4.283,10 3.794,11 3.749,12 4.994,13 3.664,14 4.797,15 4.99,16 4.109,17 4.193,18 5.785,19 4.078,20 5.139,21 5.38,22 4.247,23 4.42,24 5.932,25 4.252,26 5.262,27 5.512,28 4.226,29 4.418,30 6.177,31 4.238,32 5.224,33 5.483,34 4.099,35 4.298,36 6.205,37 4.15,38 5.08,39 5.323,40 3.975,41 4.25,42 6.005,43 4.103,44 5.089,45 5.342,46 3.931,47 4.324,48 5.807,49 4.131,50 5.171,51 5.451,52 3.762,53 4.263,54 5.923,55 4.043,56 0.113,57 0.877,58 17.909,59 6.521,60 11.344,61 8.764,62 0.398,63 1.512,64 30.215,65 11.167,66 49.747,67 15.382,68 0.294,69 2.007,70 46.361,71 16.655,72 31.033,73 21.896,74 0.467,75 2.113,76 54.946,77 18.593,78 60.353,79 23.57,80 0.56,81 1.943,82 51.421,83 16.069,84 85.273,85 21.159,86 0.554,87 1.756,88 40.049,89 13.583,90 67.481,91 18.8,92 0.258,93 1.835,94 41.356,95 15.827,96 26.488,97 21.459,98 0.348,99 1.843,100 44.702,101 16.496,102 46.915,103 22.446,104 10,105 44,106 0.234,107 0.466,108 0.657,109 0.79,110 0.846,111 0.857,112 3.375,113 1.182,114 -4.81,115 -4.72,116 -4.43,119 38.3,120 1,121 6,122 1,125 4,127 1,140 7,141 2,142 1,169 14,171 3,172 6,178 16,182 8,189 10,192 1,193 17,199 8,203 12,211 9,214 2,215 6,222 14,226 3,233 15,237 8,244 10,249 5,256 7,259 1274,260 18.963,261 18.963,262 18.963,263 18.963,264 18.963,265 17.436,266 18.849,267 11.214,268 19.271,269 15.305,270 15.305,271 15.305,272 15.305,273 15.305,274 12.958,275 26.966,276 5.302,277 15.827,278 4.467,279 3.048,280 1.874,281 1.055,282 0.713,283 0.646,284 4.072,288 1,289 1,290 657,291 3.391,295 312.542,299 115.109,302 1.625,303 28.183,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 59,315 301,316 4.995,317 4.749,318 7.782,319 4.516,320 3.588,321 4.879,322 0.8,323 14.212,324 3.31,325 4.33,326 3.004,327 6.472,328 3.877,329 2.889,330 4.17,331 0.4,332 9.874,333 2.856,334 3.668,335 2.857,336 5.855,337 3.583,338 2.629,339 2.741,341 7.856,342 2.515,343 3.551,344 2.704,345 5.411,346 3.407,347 2.441,348 2.609,350 7.123,351 2.348,352 3.202,353 2.198,354 5.005,355 3.044,356 2.085,357 2.427,359 5.698,360 1.986,361 3.118,362 1.777,363 4.877,364 2.712,365 1.718,366 2.423,368 5.195,369 1.706,370 3.078,371 1.618,372 4.313,373 2.618,374 1.618,375 2.083,377 3.768,378 1.618,379 2.761,380 1.544,381 3.962,382 2.48,383 1.491,384 1.89,386 3.399,387 1.473,388 2.498,389 1.341,390 3.633,391 2.265,392 1.267,393 1.498,395 2.855,396 1.264,397 2.284,398 1.242,399 3.575,400 2.095,401 1.131,402 1.244,404 2.726,405 1.085,406 2.178,407 1.077,408 3.414,409 1.984,410 1,411 1.036,413 2.275,414 0.983,415 2,416 0.836,417 3.305,418 1.723,419 0.734,420 1,422 1.737,423 0.724,424 1.712,425 0.775,426 3.177,427 1.669,428 0.685,429 0.708,431 1.607,432 0.673,433 1.043,434 0.136,435 2.836,436 0.9,437 -0.084,438 -0.085,440 -0.19,441 -0.083,442 1,443 -0.041,444 2.555,445 0.545,446 -0.431,447 -0.517,449 -1.084,450 -0.413,451 13.8,452 0.493,453 0.704,454 0.025,455 30.25,456 1.08,457 13,458 0.464,459 17.25,460 0.616,461 30.391,462 1.085,463 31.8,464 0.53,465 21.225,466 0.758,467 4.936,468 0.176,469 8.618,470 0.308,471 0.085,472 0.06,473 0.239,479 0.476,480 1.436,481 0.922,482 1.303,483 0.612,484 1.111,485 0.723,486 1.109,487 0.917,488 0.972,489 0.49,490 1.025,491 0.891,492 1.071,493 1.106,494 1.091,495 0.662,496 1.005,497 1.385,498 1.068,499 1.268,500 1.167,501 1.424,502 1.008,503 1.853,504 0.956,505 1.161,506 0.972,507 1.973,508 0.861,509 1.621,510 0.901,511 1.013,512 0.84,513 1.68,514 0.968,515 0.714,516 1.095,517 1.087,518 1.137,519 0.611,520 1.132,521 0.956,522 1.045,523 1.027,524 1.059,525 1.04,526 1.074,527 5.5,528 0.074,529 4,530 2.313,531 1.796,532 1.021,533 0.489,534 0.363,535 0.27,536 0.187,537 9533,538 18062,539 2.106,540 53.3,541 6,542 16,547 8,548 2,550 1.714,551 1.988,552 3.361,553 -0.813,559 86.372,560 1.44,561 2.858,562 4.033,563 4.852,564 5.194,565 5.261,566 2.88,567 4.45,568 4.777,569 3.518,570 1329.63,571 8.327,572 17078,574 1,577 354.413,578 1.454,579 4.74,580 0.177,581 0.004,582 0.091,583 0.049,584 0.041,585 0.024,586 0.013,587 0.01,588 0.009,589 0.008,590 0.427,591 0.33,592 1,593 0.517,594 139.058,595 0.193,596 -0.173,597 0.237,598 -0.065,599 -0.101,600 0.022,601 0.263,602 0.05,603 0.066,604 0.048,605 0.266,606 -0.005,607 -0.008,608 0.008,609 0.041,610 0.006,611 0.058,612 0.011,613 -0.031,614 -0.052,615 -0.026,616 -0.059,617 0.01,618 -0.022,619 -0.138,620 0.014,621 -0.017,622 0.031,623 -0.068,624 0.079,625 -0.128,626 0.108,627 -0.094,628 0.06,629 -0.136,630 -0.027,631 -0.039,632 -0.08,633 -0.112,634 -0.116,635 -0.019,636 -0.116,637 -0.053,638 -0.119,639 -0.093,640 -0.102,641 -0.065,642 -0.096,643 4.401,644 6.618,645 0.786,646 24.321,647 0.986,648 1.126,649 3.581,650 12.823,651 0.65,652 3.466,653 3.807,654 4.094,655 4.357,656 4.595,657 4.564,658 4.682,659 4.762,660 4.852,661 4.852,662 6.226,663 0.593,664 400.64,665 3.466,666 5.017,667 5.878,668 6.77,669 7.651,670 8.55,671 9.441,672 10.344,673 11.241,674 12.148,675 3.3,678 2,687 2,688 7,693 1,695 11,714 60,716 13,717 2,718 31,720 63,721 23,722 10,723 3,724 7,730 4,731 5,736 1,740 6,741 1,743 7,745 10,746 13,747 1,750 2,753 1,755 2,761 1,764 32,765 4,767 5,768 1,773 2,777 0.75,778 2,793 4,797 1,815 1,819 3,821 1,823 1,827 28,830 1,833 10,837 2,838 2,847 3.3,850 2,854 14.083,855 10.65,856 6.083,857 4.111,858 2.279,859 1.3,860 0.984,861 6.055,862 9.868,863 3.676,864 4.256,865 4.783,866 5.345,867 5.882,868 6.097,869 6.5,870 6.792,871 7.075,872 6.954,873 1,874 47,875 10.739,877 4.862,878 7.557,879 21.092,881 18.591,883 2.057,884 57.583,886 1,887 1,888 376.675,889 111.293,890 4.643,892 44.313,894 5.807,895 105.486,896 420.988,897 4.643,898 8.825,899 23.63,900 72.141,901 44.313,902 11.34,904 376.675,906 376.675,907 110.128,908 44.313,909 5.807,911 258.964,912 162.024,915 37.098,916 73.03,917 5.807,919 376.675,920 48.956,921 111.293,923 5.807,924 376.675,925 30.327,926 79.802,928 44.313,929 376.675,930 48.956,931 111.293,933 0.585,934 0.347,935 0.19,936 0.106,937 22,938 9,939 0.079,940 5,941 1,942 1.091,943 3.904,944 250.731,945 0.091,946 22,947 126.606,950 1,951 19.882,952 8.527,953 4.299,954 1.818,955 48.956,956 13.418,961 0.462,964 536.924,965 38.5,968 -3.485,970 27.236,975 59.189,976 67.563,977 0.244,978 0.484,979 0.683,980 0.821,981 0.879,982 0.891,983 4.94,984 1.491,985 5.889,986 3.768,987 4.489,988 4.942,989 0.824,990 6.767,991 4.417,992 6.142,993 1.267,994 7.495,995 3.399,996 4.205,997 5.017,998 0.325,999 8.055,1000 4.033,1001 7.486,1002 1.131,1003 9.229,1004 2.855,1005 6.176,1006 7.242,1007 0.413,1008 11.183,1009 5.996,1010 8.879,1011 1,1012 11.047,1013 2.726,1014 6.77,1015 8.229,1016 0.268,1017 13.375,1018 6.465,1019 10.323,1020 0.734,1021 12.924,1022 2.275,1023 8.247,1024 10.006,1025 0.246,1026 16.142,1027 7.919,1028 11.803,1029 0.685,1030 14.843,1031 1.737,1032 9.229,1033 11.353,1034 0.188,1035 18.639,1036 8.778,1037 13.31,1038 -0.084,1039 16.793,1040 1.607,1041 10.543,1042 12.988,1043 0.157,1044 21.32,1045 10.043,1046 3.588,1047 -0.431,1048 18.766,1049 -0.19,1050 11.692,1051 14.469,1052 0.125,1053 23.918,1054 11.08,1055 2.889,1056 14.212,1057 20.756,1058 -1.084,1059 12.96,1060 16.059,1061 0.102,1062 26.578,1063 12.278,1064 2.629,1065 9.874,1066 22.76,1067 4.879,1068 14.179,1069 17.592,1070 0.082,1071 29.211,1072 13.394,1073 2.441,1074 7.856,1075 24.774,1076 4.17,1077 15.44,1078 19.168,1079 0.067,1080 31.865,1081 14.575,1082 2.085,1083 7.123,1084 26.796,1085 2.741,1086 16.688,1087 20.724,1088 0.054,1089 34.511,1090 15.727,1091 1.718,1092 5.698,1093 28.824,1094 2.609,1095 17.952,1096 22.297,1097 0.043,1098 37.164,1099 16.905,1100 1.618,1101 5.195,1102 30.857,1103 2.427,1104 19.213,1105 23.864,1106 0.035,1107 39.815,1108 18.075,1109 9030,1110 12685,1111 20.86,1112 38.989,1113 46.459,1114 47.295,1115 47.753,1116 46.618,1117 46.555,1118 57.416,1119 2.4,1120 136.654,1121 45.08,1122 5.995,1123 6.749,1124 7.471,1125 5.58,1126 5.588,1127 7.879,1128 1.2,1129 22.801,1130 5.31,1131 11.437,1132 1.499,1133 1.526,1134 1.54,1135 1.504,1136 1.502,1137 1.852,1138 0.077,1139 4.408,1140 1.454,1141 4.177,1142 4.173,1143 4.749,1144 4.163,1145 7.715,1146 4.109,1147 3.928,1148 3.98,1149 3.943,1150 3.827,1151 6.999,1152 3.798,1153 3.857,1154 3.904,1155 3.77,1156 3.734,1157 4.877,1158 3.71,1159 3.639,1160 3.632,1161 3.614,1162 3.568,1163 4.387,1164 3.509,1165 3.457,1166 3.536,1167 3.313,1168 3.311,1169 4.317,1170 3.287,1171 3.393,1172 3.423,1173 3.274,1174 3.299,1175 4.242,1176 3.275,1177 3.174,1178 3.27,1179 2.957,1180 2.981,1181 3.931,1182 2.963,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.794,1188 2.91,1189 0.161,1190 0.153,1191 0.251,1192 0.146,1193 0.116,1194 4.995,1195 0.157,1196 4.749,1197 0.026,1198 7.782,1199 0.458,1200 4.516,1201 0.107,1202 3.588,1203 4.879,1204 0.8,1205 14.212,1206 3.31,1207 2.104,1208 2.102,1209 2.146,1210 2.153,1211 1.488,1212 2.18,1213 1.894,1214 1.844,1215 2.094,1216 2.058,1217 1.426,1218 2.075,1219 1.831,1220 1.779,1221 2.036,1222 1.991,1223 1.313,1224 2.015,1225 1.552,1226 1.554,1227 1.761,1228 1.675,1229 1.096,1230 1.712,1231 1.473,1232 1.399,1233 1.658,1234 1.651,1235 0.825,1236 1.698,1237 1.346,1238 1.336,1239 1.551,1240 1.489,1241 0.82,1242 1.527,1243 1.195,1244 1.102,1245 1.513,1246 1.433,1247 0.786,1248 1.479,1249 1.153,1250 1.064,1251 1.43,1252 1.376,1253 0.682,1254 1.429,1255 4.143,1257 5.476,1259 7.026,1261 8.672,1263 10.37,1265 2.33,1271 10.517,1275 0.95,1276 4.335,1280 35.561,1281 86.372,1282 171.504,1283 241.968,1284 291.129,1285 311.659,1286 315.659,1287 58.587,1288 7.589,1289 40.62,1290 49,1291 24,1292 12.667,1293 3.807,1294 3.087,1295 42.293,1296 101,1297 126,1298 0.199,1299 219.896,1300 380.11,1301 528.306,1302 22119,1304 19.562,1305 0.699,1306 0.632,1307 19.812,1308 17.703,1309 13.554,1310 0.437,1311 0.394,1312 10.816,1313 12.492,1314 10.433,1315 8.634,1316 14.342,1317 12.215,1318 12.421,1319 0.282,1320 0.237,1321 13.703,1322 10.414,1323 10.476,1324 0.178,1325 0.145,1326 11.801,1327 8.574,1328 8.737,1329 0.113,1330 0.087,1331 10.122,1332 6.683,1333 7.344,1334 0.075,1335 0.054,1336 8.575,1337 5.285,1338 0.308,1339 91.336,1340 0.219,1341 26.481,1342 0.562,1343 150,1344 341.622,1345 199.024,1346 354.041,1347 488.87,1348 328,1349 178,1350 335.499,1351 238.679,1352 378.591,1353 559.17,1354 357,1355 5.7} {0 CHEMBL114303,1 1.414,2 15.714,3 3.618,4 13.091,5 144.175,6 6.658,7 0.538,8 4.345,9 4.486,10 3.827,11 3.857,12 5.333,13 3.817,14 4.919,15 5.125,16 4.183,17 4.29,18 5.802,19 4.225,20 5.199,21 5.418,22 4.19,23 4.478,24 6.049,25 4.355,26 5.385,27 5.664,28 4.129,29 4.507,30 6.136,31 4.341,32 5.358,33 5.651,34 4.042,35 4.442,36 6.079,37 4.27,38 5.276,39 5.563,40 4.012,41 4.391,42 6,43 4.222,44 5.248,45 5.541,46 4.021,47 4.332,48 6.015,49 4.179,50 5.137,51 5.396,52 3.868,53 4.277,54 5.949,55 4.116,56 0.104,57 1.086,58 16.813,59 6.417,60 15.358,61 9.35,62 0.301,63 1.766,64 30.958,65 10.622,66 21.554,67 15.951,68 0.374,69 2.136,70 41.151,71 15.235,72 38.518,73 22.232,74 0.455,75 2.355,76 50.474,77 17.748,78 49.758,79 26.787,80 0.507,81 2.248,82 49.582,83 16.895,84 49.039,85 25.612,86 0.361,87 2.097,88 45.195,89 16.168,90 40.263,91 24.326,92 0.434,93 2.011,94 44.416,95 15.053,96 48.341,97 22.812,98 0.417,99 1.861,100 39.522,101 13.524,102 46.457,103 20.162,104 10,105 55,106 0.22,107 0.549,108 0.762,109 0.833,110 0.854,111 0.858,112 3.588,113 0.971,114 -4.99,115 -4.89,116 -4.58,119 39.4,120 1,121 4,124 1,125 5,129 1,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 6,176 5,178 14,182 7,184 1,186 3,189 10,193 9,195 1,197 1,199 6,202 1,203 7,206 1,208 1,211 6,215 4,218 1,220 3,222 7,226 5,229 2,231 4,233 8,236 1,237 6,242 4,244 4,249 4,254 1,256 3,259 2330,260 23.792,261 23.792,262 23.792,263 23.792,264 23.792,265 21.3,266 29.03,267 13.999,268 24.267,269 19.259,270 19.259,271 19.259,272 19.259,273 19.259,274 15.609,275 34.672,276 6.648,277 20.048,278 4.736,279 2.626,280 1.26,281 0.803,282 0.669,283 0.641,284 4.294,289 1,290 1217,291 3.873,294 194.631,295 371.589,298 166.916,302 2.498,303 20.143,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 74,315 550,316 4.568,317 3.527,318 6.995,319 4.257,320 3.301,321 4.518,322 0.916,323 11.901,324 3.147,325 4.305,326 3.196,327 6.566,328 4.099,329 3.118,330 3.779,331 0.8,332 10.431,333 3.062,334 4.163,335 3.072,336 6.095,337 3.809,338 2.817,339 3.731,340 0.172,341 8.884,342 2.797,343 4.129,344 2.885,345 6.05,346 3.689,347 2.753,348 3.297,350 8.683,351 2.577,352 3.463,353 2.754,354 5.316,355 3.341,356 2.421,357 2.812,359 6.889,360 2.228,361 3.39,362 2.454,363 5.127,364 3.041,365 2.109,366 2.593,368 6.001,369 1.992,370 3.247,371 2.183,372 4.957,373 2.998,374 2.027,375 2.422,377 5.735,378 1.933,379 3.179,380 1.795,381 4.514,382 2.73,383 1.776,384 2.253,386 4.655,387 1.69,388 2.865,389 1.631,390 4.134,391 2.414,392 1.414,393 2.018,395 3.598,396 1.414,397 2.751,398 1.468,399 4.116,400 2.38,401 1.391,402 1.85,404 3.482,405 1.374,406 2.74,407 1.374,408 3.802,409 2.318,410 1.332,411 1.819,413 2.961,414 1.311,415 2.43,416 1.173,417 3.604,418 2.1,419 1.135,420 1.406,422 2.562,423 1.093,424 2.266,425 1.077,426 3.511,427 1.984,428 1,429 1.209,431 2.372,432 0.983,433 2.118,434 0.94,435 3.36,436 1.864,437 0.899,438 1,440 2.104,441 0.865,442 2,443 0.686,444 3.293,445 1.571,446 0.618,447 0.927,449 1.491,450 0.586,451 16.733,452 0.478,453 0.855,454 0.024,455 41,456 1.171,457 18,458 0.514,459 23,460 0.657,461 36.013,462 1.029,463 38.467,464 0.542,465 29.718,466 0.849,467 7.905,468 0.226,469 9.083,470 0.26,471 0.08,472 0.03,473 0.251,479 0.939,480 1.434,481 0.904,482 1.169,483 0.913,484 1.056,485 1.142,486 1.004,487 0.969,488 0.924,489 0.776,490 0.917,491 1.185,492 1.183,493 1.175,494 1.215,495 1.374,496 1.207,497 0.909,498 1.042,499 0.996,500 1.056,501 0.941,502 1.043,503 1.012,504 0.883,505 0.979,506 0.932,507 1.048,508 0.953,509 0.786,510 1.002,511 0.927,512 1.03,513 0.82,514 1.003,515 0.965,516 0.88,517 0.861,518 0.885,519 0.996,520 0.868,521 1.386,522 1.046,523 1.233,524 1.132,525 1.661,526 1.17,527 7.5,528 0.185,529 4.222,530 2.069,531 1.699,532 0.986,533 0.851,534 0.334,535 0.29,536 0.276,537 22519,538 48509,539 2.134,540 50.7,541 5,542 20,543 1,544 2,545 2,547 2,548 4,550 1.76,551 2.029,552 3.9,553 0.134,559 100.399,560 1.414,561 3.524,562 4.89,563 5.347,564 5.481,565 5.509,566 3.365,567 4.844,568 5.103,569 4.13,570 2457.59,571 8.915,572 41588.3,577 436.632,578 1.375,579 5.07,580 0.192,581 0.006,582 0.077,583 0.04,584 0.036,585 0.023,586 0.02,587 0.008,588 0.008,589 0.009,590 0.42,591 0.17,592 0.75,593 0.45,594 194.854,595 0.05,596 -0.172,597 0.073,598 -0.048,599 -0.01,601 -0.053,602 0.165,603 0.029,604 0.104,605 0.033,606 0.083,607 -0.095,608 -0.128,609 -0.194,610 -0.162,611 -0.116,612 -0.187,613 0.012,614 -0.097,615 -0.02,616 -0.061,617 0.02,618 -0.047,619 -0.026,620 0.045,621 0.007,622 0.037,623 -0.041,624 0.026,625 0.043,626 -0.073,627 0.041,628 -0.034,629 0.039,630 -0.003,631 0.056,632 0.042,633 0.129,634 0.082,635 0.088,636 0.109,637 -0.182,638 -0.06,639 -0.235,640 -0.142,641 -0.242,642 -0.189,643 1.844,644 5.222,645 0.743,646 44.196,647 0.989,648 1.133,649 3.756,650 14.105,651 0.647,652 3.689,653 4.025,654 4.277,655 4.522,656 4.682,657 4.736,658 4.86,659 4.956,660 5.011,661 5.094,662 9.287,663 0.602,664 472.7,665 3.689,666 5.242,667 6.089,668 6.969,669 7.829,670 8.711,671 9.577,672 10.46,673 11.33,674 12.213,675 8.5,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 71,716 21,717 2,718 39,720 75,721 28,722 16,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 4,745 16,746 12,747 1,764 36,765 5,766 2,767 7,773 6,777 0.8,778 1,781 1,788 1,792 2,793 3,796 1,815 2,817 1,819 4,823 2,827 35,832 1,833 9,838 2,839 1,844 1,847 1.4,848 1,854 17.25,855 13.033,856 7.569,857 4.343,858 3.553,859 1.426,860 0.968,861 7.235,862 11.888,863 3.922,864 4.511,865 5.074,866 5.641,867 6.063,868 6.38,869 6.804,870 7.216,871 7.404,872 7.629,873 1,874 52,875 12.984,877 5.498,878 7.479,879 25.692,881 21.691,883 1.979,884 69.25,888 400.217,889 147.537,890 58.259,892 42.683,895 147.537,896 442.901,897 58.259,898 17.222,899 20.667,900 118.064,901 74.105,902 39.82,903 13.915,904 364.904,906 400.217,907 205.796,908 42.683,911 329.591,912 70.627,913 42.683,915 71.662,916 100.808,917 33.326,919 400.217,920 100.943,921 147.537,924 400.217,925 37.697,926 117.988,927 16.786,928 76.009,929 400.217,930 100.943,931 147.537,933 0.585,934 0.338,935 0.18,936 0.091,937 27,938 11,939 0.12,940 9,941 1,942 1.077,943 4.788,944 321.304,945 0.077,946 26,947 169.525,951 24.051,952 10.529,953 5.776,954 2.426,955 82.258,956 20.516,957 7.834,958 3.407,961 5.07,962 1.934,963 59.469,964 648.697,965 49.5,975 70.192,976 80.427,977 0.23,978 0.573,979 0.795,980 0.869,981 0.891,982 0.896,983 5.172,984 1.776,985 6.089,986 5.735,987 4.71,988 5.198,989 1.242,990 6.911,991 4.633,992 6.371,993 1.414,994 7.657,995 4.655,996 4.369,997 4.977,998 0.57,999 8.017,1000 4.239,1001 7.68,1002 1.391,1003 9.332,1004 3.598,1005 6.354,1006 7.381,1007 0.883,1008 11.025,1009 6.205,1010 9.026,1011 1.332,1012 11.074,1013 3.482,1014 6.858,1015 8.04,1016 0.581,1017 12.973,1018 6.659,1019 10.406,1020 1.135,1021 12.86,1022 2.961,1023 8.31,1024 9.897,1025 0.68,1026 15.55,1027 8.093,1028 11.809,1029 1,1030 14.676,1031 2.562,1032 9.179,1033 10.973,1034 0.515,1035 17.807,1036 8.918,1037 13.231,1038 0.899,1039 16.514,1040 2.372,1041 10.438,1042 12.609,1043 0.541,1044 20.273,1045 10.153,1046 3.301,1047 0.618,1048 18.368,1049 2.104,1050 11.468,1051 13.894,1052 0.441,1053 22.645,1054 11.143,1055 3.118,1056 11.901,1057 20.235,1058 1.491,1059 12.657,1060 15.438,1061 0.438,1062 25.089,1063 12.302,1064 2.817,1065 10.431,1066 22.111,1067 4.518,1068 13.759,1069 16.826,1070 0.373,1071 27.508,1072 13.365,1073 2.753,1074 8.884,1075 23.996,1076 3.779,1077 14.926,1078 18.335,1079 0.358,1080 29.953,1081 14.498,1082 2.421,1083 8.683,1084 25.887,1085 3.731,1086 16.062,1087 19.776,1088 0.314,1089 32.394,1090 15.594,1091 2.109,1092 6.889,1093 27.784,1094 3.297,1095 17.225,1096 21.273,1097 0.296,1098 34.845,1099 16.72,1100 2.027,1101 6.001,1102 29.685,1103 2.812,1104 18.378,1105 22.743,1106 0.264,1107 37.297,1108 17.831,1109 20734,1110 30657,1111 26.523,1112 45.91,1113 58.854,1114 57.996,1115 59.307,1116 58.249,1117 58.184,1118 73.746,1119 3.778,1120 168.044,1121 55.932,1122 5.568,1123 5.527,1124 6.683,1125 5.316,1126 5.301,1127 7.518,1128 1.605,1129 18.565,1130 5.147,1131 14.019,1132 1.509,1133 1.487,1134 1.521,1135 1.494,1136 1.492,1137 1.891,1138 0.097,1139 4.309,1140 1.434,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.446,1146 4.071,1147 3.968,1148 4.011,1149 3.89,1150 3.892,1151 5.135,1152 3.886,1153 3.877,1154 3.928,1155 3.792,1156 3.739,1157 4.927,1158 3.74,1159 3.826,1160 3.898,1161 3.769,1162 3.589,1163 4.744,1164 3.625,1165 3.591,1166 3.665,1167 3.456,1168 3.413,1169 4.315,1170 3.416,1171 3.455,1172 3.533,1173 3.31,1174 3.264,1175 4.252,1176 3.267,1177 3.282,1178 3.348,1179 3.167,1180 3.114,1181 4.171,1182 3.117,1183 3.17,1184 3.257,1185 2.969,1186 3.023,1187 3.904,1188 2.999,1189 0.117,1190 0.09,1191 0.179,1192 0.109,1193 0.085,1194 4.568,1195 0.116,1196 3.527,1197 0.023,1198 6.995,1199 0.305,1200 4.257,1201 0.081,1202 3.301,1203 4.518,1204 0.916,1205 11.901,1206 3.147,1207 1.961,1208 1.937,1209 2.083,1210 2.072,1211 1.433,1212 2.078,1213 1.943,1214 1.913,1215 2.054,1216 2.049,1217 1.283,1218 2.048,1219 1.855,1220 1.803,1221 2.023,1222 2.005,1223 1.218,1224 2.018,1225 1.673,1226 1.619,1227 1.88,1228 1.845,1229 1.119,1230 1.86,1231 1.48,1232 1.399,1233 1.734,1234 1.727,1235 0.918,1236 1.733,1237 1.4,1238 1.328,1239 1.583,1240 1.655,1241 0.825,1242 1.637,1243 1.308,1244 1.24,1245 1.552,1246 1.516,1247 0.74,1248 1.522,1249 1.208,1250 1.128,1251 1.513,1252 1.442,1253 0.608,1254 1.469,1255 4.369,1257 5.7,1258 3.045,1259 7.213,1260 5.283,1261 8.809,1262 7.286,1263 10.448,1265 4.273,1270 11.222,1271 8.386,1276 4.774,1277 -0.594,1280 42.745,1281 100.399,1282 250.212,1283 347.206,1284 379.612,1285 389.122,1286 391.122,1287 56.123,1288 8.335,1289 73.21,1290 73.21,1291 28,1292 12.75,1293 4.459,1294 3.524,1295 52.701,1296 200,1297 168,1298 0.126,1299 260.804,1300 438.59,1301 628.123,1302 61921,1304 24.253,1305 0.693,1306 0.595,1307 24.253,1308 20.821,1309 16.989,1310 0.436,1311 0.324,1312 12.463,1313 16.411,1314 12.088,1315 10.034,1316 16.989,1317 12.619,1318 15.631,1319 0.284,1320 0.185,1321 15.631,1322 10.181,1323 13.004,1324 0.183,1325 0.105,1326 13.004,1327 7.441,1328 10.816,1329 0.119,1330 0.059,1331 10.816,1332 5.349,1333 8.21,1334 0.077,1335 0.035,1336 8.21,1337 3.76,1338 0.207,1339 105.772,1340 0.194,1341 33.176,1342 0.319,1343 188,1344 434.708,1345 201.62,1346 431.7,1347 601.74,1348 406,1349 220,1350 454.154,1351 235.509,1352 467.059,1353 674.08,1354 436,1355 8.886} {0 CHEMBL114571,1 1.369,2 13.938,3 4.903,4 24.035,5 131.727,6 6.697,7 0.444,8 4.239,9 4.375,10 3.731,11 3.798,12 5.205,13 3.752,14 4.819,15 5.016,16 4.1,17 4.234,18 5.724,19 4.159,20 5.087,21 5.312,22 4.108,23 4.396,24 5.934,25 4.274,26 5.194,27 5.451,28 4.008,29 4.372,30 6.048,31 4.219,32 5.138,33 5.424,34 3.981,35 4.271,36 5.951,37 4.131,38 4.954,39 5.182,40 3.98,41 4.247,42 5.81,43 4.13,44 5.029,45 5.28,46 3.88,47 4.245,48 5.853,49 4.093,50 4.995,51 5.275,52 3.716,53 4.113,54 5.794,55 3.947,56 0.068,57 0.947,58 14.789,59 5.966,60 9.325,61 8.527,62 0.321,63 1.592,64 27.584,65 10.221,66 24.462,67 14.967,68 0.253,69 1.952,70 36.362,71 13.892,72 27.804,73 20.16,74 0.32,75 2.028,76 41.312,77 15.394,78 49.4,79 22.343,80 0.361,81 1.87,82 39.671,83 14.339,84 48.953,85 20.99,86 0.239,87 1.707,88 31.958,89 11.861,90 29.102,91 17.328,92 0.238,93 1.775,94 34.646,95 12.976,96 35.06,97 19.077,98 0.333,99 1.62,100 34.324,101 12.349,102 42.255,103 18.053,104 10,105 51,106 0.218,107 0.581,108 0.808,109 0.876,110 0.876,111 0.876,112 3.502,113 0.974,114 -4.69,115 -4.61,116 -4.33,119 42.2,120 1,121 4,124 1,125 3,127 1,134 1,135 1,140 7,141 4,142 1,149 1,150 1,157 1,169 15,171 1,172 5,174 2,176 5,178 18,182 2,186 5,189 17,193 8,197 4,199 10,203 8,206 1,208 4,211 6,215 7,220 4,222 9,226 7,231 2,233 10,237 5,240 1,242 2,244 10,249 1,254 1,256 11,259 1824,260 21.825,261 21.825,262 21.825,263 21.825,264 21.825,265 19.568,266 25.83,267 12.688,268 22.141,269 17.758,270 17.758,271 17.758,272 17.758,273 17.758,274 14.315,275 29.429,276 6.042,277 18.245,278 4.631,279 2.35,280 0.924,281 0.492,282 0.492,283 0.492,284 4.211,289 1,290 992,291 3.162,294 171.569,295 312.172,298 141.615,302 2.32,303 18.104,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 446,316 4.572,317 3.695,318 6.578,319 4.123,320 3.135,321 4.516,322 1.706,323 10.485,324 3.098,325 4.151,326 3.239,327 6.146,328 3.857,329 2.892,330 3.635,331 0.8,332 9.043,333 2.799,334 4.054,335 3.043,336 6.041,337 3.75,338 2.798,339 3.558,340 0.728,341 8.651,342 2.669,343 3.848,344 2.894,345 5.991,346 3.651,347 2.672,348 3.092,349 0.167,350 8.494,351 2.6,352 3.807,353 2.703,354 5.392,355 3.492,356 2.511,357 2.889,359 7.061,360 2.454,361 3.383,362 2.351,363 5.111,364 3.048,365 2.072,366 2.642,368 5.926,369 2.019,370 3.331,371 2.224,372 4.898,373 2.938,374 1.956,375 2.601,377 5.711,378 1.919,379 3.093,380 2.109,381 4.488,382 2.619,383 1.627,384 2.275,386 4.506,387 1.608,388 2.711,389 1.606,390 4.206,391 2.317,392 1.343,393 1.788,395 3.668,396 1.306,397 2.504,398 1.454,399 4.009,400 2.185,401 1.217,402 1.5,404 3.245,405 1.17,406 2.5,407 1.388,408 3.934,409 2.104,410 1.125,411 1.425,413 2.967,414 1.097,415 2.334,416 1.233,417 3.417,418 2.045,419 1.063,420 1.303,422 2.383,423 1.04,424 2.137,425 1.14,426 3.414,427 2,428 1,429 1.12,431 2.275,432 1,433 2.079,434 1,435 3.414,436 1.984,437 1,438 1.04,440 2.275,441 0.983,442 2.018,443 0.746,444 3.253,445 1.618,446 0.656,447 0.89,449 1.604,450 0.63,451 15.433,452 0.482,453 0.78,454 0.024,455 38.25,456 1.195,457 17.5,458 0.547,459 20.75,460 0.648,461 30.417,462 0.951,463 34.367,464 0.537,465 28.07,466 0.877,467 7.33,468 0.229,469 8.234,470 0.257,471 0.086,473 0.343,479 0.849,480 1.343,481 0.889,482 1.09,483 0.601,484 1.003,485 0.837,486 1.016,487 0.942,488 0.928,489 0.504,490 0.933,491 1.014,492 1.134,493 1.105,494 1.132,495 0.841,496 1.123,497 1.149,498 1.094,499 1.079,500 1.106,501 1.311,502 1.093,503 1.09,504 0.838,505 0.808,506 0.794,507 1.284,508 0.783,509 1.111,510 1.146,511 1.089,512 1.094,513 0.987,514 1.087,515 0.917,516 1.157,517 1.112,518 1.169,519 0.717,520 1.155,521 1.227,522 0.919,523 1.031,524 0.952,525 1.392,526 0.975,527 6.5,528 0.117,529 4.222,530 1.799,531 1.408,532 1.111,533 0.646,534 0.361,535 0.39,536 0.202,537 16492,538 32841,539 2.154,540 50,541 3,542 18,543 1,545 2,547 8,550 1.74,551 2.043,552 3.738,553 0.115,559 87.618,560 1.369,561 3.65,562 5.076,563 5.508,564 5.508,565 5.508,566 3.269,567 4.429,568 4.968,569 3.939,570 1953.74,571 8.667,572 29536.4,574 1,577 384,578 1.317,579 4.943,580 0.181,581 0.004,582 0.083,583 0.037,584 0.034,585 0.026,586 0.015,587 0.01,588 0.013,589 0.007,590 0.408,591 0.33,592 0.88,593 0.476,594 170.868,596 -0.134,597 0.069,598 -0.016,599 -0.01,600 0.024,601 0.157,602 0.129,603 0.04,604 0.081,605 0.12,606 0.056,607 -0.096,608 -0.08,609 -0.133,610 -0.12,611 -0.027,612 -0.126,613 -0.071,614 -0.122,615 -0.092,616 -0.117,617 -0.05,618 -0.108,619 0.037,620 0.095,621 0.193,622 0.174,623 0.012,624 0.192,625 -0.106,626 -0.09,627 -0.108,628 -0.094,629 -0.08,630 -0.099,631 -0.057,632 -0.146,633 -0.14,634 -0.177,635 0.02,636 -0.165,637 -0.067,638 0.028,639 -0.032,640 0.013,641 -0.078,642 -0.005,643 1.701,644 5.649,645 0.813,646 38.625,647 0.986,648 1.125,649 3.464,650 12.003,651 0.658,652 3.611,653 3.951,654 4.234,655 4.477,656 4.682,657 4.787,658 4.97,659 5.106,660 5.215,661 5.352,662 8.098,663 0.612,664 428.63,665 3.611,666 5.165,667 6.023,668 6.901,669 7.773,670 8.653,671 9.531,672 10.414,673 11.295,674 12.18,675 6.3,678 1,682 2,683 1,687 2,688 8,690 1,693 4,695 16,714 64,716 18,717 2,718 36,720 68,721 27,722 14,723 5,724 7,725 2,730 5,731 6,735 1,736 1,740 4,743 5,745 17,746 10,750 2,755 1,757 1,759 2,764 32,765 4,766 2,767 5,773 4,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,823 2,827 32,833 7,834 1,837 1,838 2,847 1.6,850 1,854 15.667,855 11.9,856 6.889,857 4.033,858 3.331,859 1.4,860 1.016,861 6.074,862 11.649,863 3.85,864 4.44,865 5.003,866 5.559,867 6.07,868 6.387,869 6.817,870 7.185,871 7.35,872 7.676,873 1,874 49,875 11.892,877 5.081,878 7.474,879 23.614,881 20.183,883 1.974,884 63.167,888 353.133,889 143.026,890 41.045,892 25.145,895 143.026,896 378.278,897 41.045,898 17.222,899 37.59,900 84.857,901 25.145,902 37.982,903 18.191,904 341.362,906 353.133,907 184.071,908 25.145,911 258.964,912 119.314,915 66.325,916 108.27,917 9.476,919 353.133,920 66.19,921 143.026,924 353.133,925 40.947,926 108.328,927 34.796,928 25.145,929 353.133,930 66.19,931 143.026,933 0.589,934 0.345,935 0.177,936 0.093,937 26,938 11,939 0.059,940 4,941 1,942 1.077,943 4.47,944 293.9,945 0.077,946 26,947 156,951 21.296,952 9.127,953 4.649,954 2.545,955 49.404,956 16.857,958 3.457,961 4.716,963 34.796,964 562.349,965 46,970 12.649,972 2.205,974 1.296,975 63.105,976 72.015,977 0.228,978 0.608,979 0.846,980 0.918,981 0.918,982 0.918,983 5.106,984 1.627,985 6.009,986 5.711,987 4.635,988 5.127,989 2.072,990 6.81,991 4.584,992 6.301,993 1.343,994 7.564,995 4.506,996 4.205,997 4.924,998 1.404,999 7.67,1000 4.124,1001 7.604,1002 1.217,1003 9.214,1004 3.668,1005 6.229,1006 7.297,1007 2.586,1008 10.745,1009 6.126,1010 8.941,1011 1.125,1012 10.919,1013 3.245,1014 6.621,1015 7.948,1016 2.512,1017 12.428,1018 6.488,1019 10.31,1020 1.063,1021 12.661,1022 2.967,1023 8.095,1024 9.8,1025 3.421,1026 14.999,1027 7.944,1028 11.7,1029 1,1030 14.426,1031 2.383,1032 8.858,1033 10.866,1034 3.634,1035 17.025,1036 8.681,1037 13.108,1038 1,1039 16.209,1040 2.275,1041 10.108,1042 12.506,1043 4.385,1044 19.423,1045 9.915,1046 3.135,1047 0.656,1048 18.005,1049 2.275,1050 11.047,1051 13.788,1052 4.744,1053 21.603,1054 10.832,1055 2.892,1056 10.485,1057 19.811,1058 1.604,1059 12.205,1060 15.339,1061 5.402,1062 23.941,1063 11.975,1064 2.798,1065 9.043,1066 21.625,1067 4.516,1068 13.227,1069 16.731,1070 5.84,1071 26.194,1072 12.981,1073 2.672,1074 8.651,1075 23.446,1076 3.635,1077 14.35,1078 18.248,1079 6.444,1080 28.515,1081 14.09,1082 2.511,1083 8.494,1084 25.272,1085 3.558,1086 15.415,1087 19.696,1088 6.926,1089 30.806,1090 15.141,1091 2.072,1092 7.061,1093 27.103,1094 3.092,1095 16.525,1096 21.201,1097 7.499,1098 33.127,1099 16.24,1100 1.956,1101 5.926,1102 28.938,1103 2.889,1104 17.613,1105 22.677,1106 8.004,1107 35.438,1108 17.316,1109 15213,1110 21616,1111 24.561,1112 42.137,1113 54.957,1114 55.576,1115 55.589,1116 54.33,1117 54.316,1118 68.763,1119 6.803,1120 156.993,1121 52.961,1122 5.514,1123 5.695,1124 6.097,1125 5.161,1126 5.135,1127 7.516,1128 2.981,1129 17.275,1130 5.098,1131 13.497,1132 1.527,1133 1.544,1134 1.544,1135 1.509,1136 1.509,1137 1.91,1138 0.189,1139 4.361,1140 1.471,1141 4.153,1142 4.187,1143 4.109,1144 4.077,1145 7.429,1146 4.081,1147 3.94,1148 3.978,1149 3.876,1150 3.86,1151 4.967,1152 3.857,1153 3.865,1154 3.926,1155 3.762,1156 3.736,1157 4.757,1158 3.735,1159 3.81,1160 3.864,1161 3.71,1162 3.667,1163 4.478,1164 3.669,1165 3.462,1166 3.508,1167 3.4,1168 3.299,1169 4.371,1170 3.31,1171 3.304,1172 3.367,1173 3.185,1174 3.129,1175 4.15,1176 3.139,1177 3.138,1178 3.249,1179 2.976,1180 2.965,1181 4.002,1182 2.959,1183 3.131,1184 3.213,1185 2.884,1186 2.899,1187 3.791,1188 2.877,1189 0.127,1190 0.103,1191 0.183,1192 0.115,1193 0.087,1194 4.572,1195 0.125,1196 3.695,1197 0.047,1198 6.578,1199 0.291,1200 4.123,1201 0.086,1202 3.135,1203 4.516,1204 1.706,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.091,1210 2.08,1211 1.345,1212 2.085,1213 1.914,1214 1.885,1215 2.036,1216 2.011,1217 1.286,1218 2.019,1219 1.759,1220 1.714,1221 1.934,1222 1.909,1223 1.144,1224 1.918,1225 1.684,1226 1.628,1227 1.869,1228 1.871,1229 1.129,1230 1.873,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.055,1236 1.795,1237 1.408,1238 1.336,1239 1.627,1240 1.635,1241 0.749,1242 1.637,1243 1.298,1244 1.243,1245 1.556,1246 1.54,1247 0.695,1248 1.539,1249 1.127,1250 1.062,1251 1.434,1252 1.345,1253 0.621,1254 1.369,1255 4.29,1257 5.624,1258 3.045,1259 7.14,1260 5.352,1261 8.733,1262 7.38,1263 10.368,1265 4.287,1271 7.138,1272 3.009,1275 0.646,1276 4.363,1280 39.176,1281 87.618,1282 233.581,1283 324.839,1284 352.49,1285 352.49,1286 352.49,1287 45.774,1288 8.318,1289 51.37,1290 51.37,1291 28,1292 12.713,1293 4.248,1294 3.459,1295 45.997,1296 156,1297 166,1298 0.142,1299 237.624,1300 410.19,1301 571.561,1302 55100,1304 22.079,1305 0.69,1306 0.595,1307 22.079,1308 19.026,1309 15.564,1310 0.432,1311 0.325,1312 11.578,1313 15.159,1314 11.231,1315 9.312,1316 15.564,1317 11.689,1318 14.252,1319 0.279,1320 0.182,1321 14.252,1322 9.277,1323 12.375,1324 0.182,1325 0.104,1326 12.375,1327 7.064,1328 10.031,1329 0.115,1330 0.057,1331 10.031,1332 4.993,1333 7.909,1334 0.074,1335 0.031,1336 7.909,1337 3.345,1338 0.229,1339 96.056,1340 0.202,1341 30.441,1342 0.372,1343 174,1344 389.691,1345 184.651,1346 388.106,1347 545.35,1348 366,1349 206,1350 411.791,1351 217.152,1352 423.929,1353 619.36,1354 399,1355 9.509} {0 CHEMBL114780,1 1.487,2 13.938,3 5.081,4 25.815,5 131.491,6 7.361,7 0.444,8 4.202,9 4.331,10 3.771,11 3.777,12 5.192,13 3.735,14 4.778,15 4.963,16 4.158,17 4.218,18 5.725,19 4.146,20 5.058,21 5.279,22 4.168,23 4.376,24 5.936,25 4.256,26 5.135,27 5.382,28 4.039,29 4.337,30 6.024,31 4.191,32 5.091,33 5.369,34 4.018,35 4.245,36 5.936,37 4.112,38 4.934,39 5.157,40 4.013,41 4.242,42 5.804,43 4.122,44 4.996,45 5.241,46 3.971,47 4.226,48 5.884,49 4.078,50 4.95,51 5.229,52 3.792,53 4.101,54 5.729,55 3.928,56 0.046,57 0.896,58 13.034,59 5.553,60 7.924,61 7.699,62 0.295,63 1.512,64 25.678,65 9.678,66 24.117,67 13.723,68 0.265,69 1.851,70 37.228,71 13.619,72 31.186,73 19.115,74 0.327,75 1.906,76 41.088,77 14.823,78 51.172,79 20.813,80 0.404,81 1.793,82 39.58,83 14.017,84 52.166,85 20.044,86 0.217,87 1.647,88 31.681,89 12.02,90 29.289,91 16.958,92 0.351,93 1.706,94 35.13,95 12.677,96 46.665,97 18.187,98 0.273,99 1.545,100 34.482,101 12.627,102 35.758,103 18.029,104 10,105 51,106 0.239,107 0.607,108 0.809,109 0.882,110 0.882,111 0.882,112 3.502,113 0.98,114 -4.96,115 -4.87,116 -4.56,119 42.6,121 4,124 1,125 3,127 1,134 1,135 1,140 7,141 3,142 2,149 1,150 1,157 1,169 12,171 1,172 5,174 2,176 5,178 16,182 2,186 5,189 17,193 8,197 3,199 10,203 8,206 1,208 4,211 6,215 5,220 4,222 9,226 7,231 2,233 10,237 5,240 1,242 2,244 8,249 1,254 1,256 10,259 1824,260 21.825,261 21.825,262 21.825,263 21.825,264 21.825,265 19.568,266 25.006,267 12.688,268 22.277,269 17.758,270 17.758,271 17.758,272 17.758,273 17.758,274 14.315,275 28.6,276 6.042,277 18.521,278 4.444,279 2.151,280 0.892,281 0.439,282 0.439,283 0.439,284 4.211,285 1,289 1,290 992,291 3.162,294 171.569,295 312.172,298 141.615,302 2.32,303 21.229,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.333,315 446,316 4.572,317 3.695,318 6.578,319 4.123,320 3.135,321 4.516,322 1.706,323 10.485,324 3.098,325 4.151,326 3.239,327 6.146,328 3.856,329 2.892,330 3.635,331 0.8,332 9.043,333 2.798,334 4.054,335 3.043,336 6.041,337 3.749,338 2.798,339 3.558,340 0.728,341 8.651,342 2.657,343 3.848,344 2.942,345 5.991,346 3.645,347 2.672,348 3.092,349 0.167,350 8.494,351 2.584,352 3.807,353 2.889,354 5.392,355 3.457,356 2.511,357 2.889,359 7.061,360 2.363,361 3.383,362 2.444,363 5.111,364 2.98,365 2.072,366 2.642,368 5.926,369 1.932,370 3.331,371 2.283,372 4.898,373 2.924,374 1.956,375 2.601,377 5.711,378 1.771,379 3.093,380 2.111,381 4.488,382 2.613,383 1.627,384 2.275,386 4.506,387 1.582,388 2.711,389 1.606,390 4.206,391 2.317,392 1.343,393 1.788,395 3.668,396 1.305,397 2.504,398 1.454,399 4.009,400 2.182,401 1.217,402 1.5,404 3.245,405 1.164,406 2.5,407 1.388,408 3.934,409 2.103,410 1.125,411 1.425,413 2.967,414 1.096,415 2.334,416 1.233,417 3.417,418 2.044,419 1.063,420 1.303,422 2.383,423 1.038,424 2.137,425 1.14,426 3.414,427 2,428 1,429 1.12,431 2.275,432 1,433 2.079,434 1,435 3.414,436 1.984,437 1,438 1.04,440 2.275,441 0.983,442 2.018,443 0.787,444 3.253,445 1.618,446 0.656,447 0.89,449 1.604,450 0.63,451 15.648,452 0.489,453 0.78,454 0.024,455 38.5,456 1.203,457 17.5,458 0.547,459 21,460 0.656,461 30.315,462 0.947,463 34.152,464 0.56,465 28.171,466 0.88,467 7.362,468 0.23,469 8.202,470 0.256,471 0.099,473 0.339,479 0.764,480 1.336,481 0.701,482 1.002,483 0.557,484 0.943,485 0.772,486 1.037,487 0.782,488 0.887,489 0.486,490 0.918,491 0.981,492 1.099,493 0.998,494 1.075,495 0.813,496 1.082,497 1.071,498 1.093,499 0.955,500 1.085,501 1.242,502 1.091,503 0.88,504 0.834,505 0.62,506 0.772,507 1.144,508 0.781,509 0.897,510 1.158,511 0.887,512 1.078,513 0.883,514 1.083,515 0.672,516 1.137,517 0.866,518 1.143,519 0.574,520 1.15,521 0.745,522 0.964,523 0.768,524 0.946,525 0.812,526 0.97,527 6.5,528 0.117,529 4.222,530 1.799,531 1.408,532 1.111,533 0.646,534 0.361,535 0.39,536 0.202,537 16492,538 38835,539 2.154,540 47.5,542 18,543 1,545 2,547 8,550 1.74,551 2.043,552 3.738,553 0.146,559 90.682,560 1.487,561 3.779,562 5.039,563 5.492,564 5.492,565 5.492,566 3.269,567 4.429,568 4.968,569 3.939,570 1953.74,571 8.667,572 29536.4,574 1,577 361.775,578 1.317,579 4.943,580 0.181,581 0.004,582 0.083,583 0.037,584 0.034,585 0.026,586 0.015,587 0.01,588 0.013,589 0.007,590 0.408,591 0.33,592 0.88,593 0.476,594 170.868,595 -0.022,596 -0.138,597 0.04,598 -0.015,599 -0.009,600 0.023,601 0.103,602 0.109,603 0.022,604 0.068,605 0.114,606 0.033,607 -0.102,608 -0.061,609 -0.104,610 -0.095,611 -0.016,612 -0.105,613 -0.089,614 -0.118,615 -0.094,616 -0.117,617 -0.064,618 -0.113,619 0.072,620 0.11,621 0.175,622 0.177,623 0.02,624 0.197,625 -0.074,626 -0.124,627 -0.082,628 -0.108,629 -0.067,630 -0.106,631 0.098,632 -0.126,633 -0.055,634 -0.183,635 0.119,636 -0.172,637 0.044,638 -0.027,639 0.076,640 0.021,641 0.016,642 0.023,643 1.744,644 5.616,645 0.813,646 38.625,647 0.993,648 1.124,649 3.732,650 13.932,651 0.676,652 3.611,653 3.951,654 4.234,655 4.477,656 4.682,657 4.787,658 4.97,659 5.106,660 5.215,661 5.352,662 8.098,663 0.631,664 449.04,665 3.611,666 5.165,667 6.023,668 6.901,669 7.773,670 8.653,671 9.531,672 10.414,673 11.295,674 12.18,675 6.6,678 1,682 2,683 1,687 2,688 8,690 1,693 4,695 16,713 1,714 61,716 18,717 2,718 36,720 65,721 26,722 14,723 5,724 7,725 2,730 5,731 6,732 1,735 1,740 4,743 5,745 17,746 9,750 2,755 1,757 1,759 2,764 29,765 4,766 2,767 6,768 1,773 4,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,823 1,824 1,827 32,833 7,834 1,837 1,838 2,846 1,847 1.6,850 1,854 15.667,855 11.043,856 6.889,857 3.819,858 3.331,859 1.4,860 1.019,861 6.269,862 11.649,863 3.85,864 4.44,865 5.003,866 5.559,867 6.07,868 6.387,869 6.817,870 7.185,871 7.35,872 7.676,873 1,874 49,875 11.872,877 5.098,878 7.54,879 23.4,881 20.018,883 2.04,884 65.278,888 317.82,889 134.516,890 41.045,891 39.149,892 25.145,895 134.516,896 382.113,897 41.045,898 8.396,899 37.59,900 84.857,901 25.145,902 38.297,903 18.191,904 306.049,905 39.149,906 317.82,907 175.561,908 25.145,909 39.149,911 223.651,912 119.314,915 57.5,916 108.585,917 48.625,919 317.82,920 66.19,921 173.665,924 317.82,925 41.262,926 99.502,927 34.796,928 64.294,929 317.82,930 66.19,931 173.665,933 0.589,934 0.345,935 0.177,936 0.093,937 26,938 11,939 0.062,940 4,941 1,942 1.077,943 4.47,944 293.9,945 0.077,946 26,947 156,951 21.567,952 9.302,953 4.756,954 2.524,955 49.404,956 16.08,958 3.448,961 4.079,963 34.796,964 557.674,965 46,970 12.616,972 2.184,974 1.235,975 60.545,976 68.544,977 0.251,978 0.637,979 0.85,980 0.926,981 0.926,982 0.926,983 5.106,984 1.627,985 6.009,986 5.711,987 4.635,988 5.127,989 2.072,990 6.81,991 4.559,992 6.301,993 1.343,994 7.564,995 4.506,996 4.205,997 4.924,998 1.404,999 7.67,1000 4.064,1001 7.604,1002 1.217,1003 9.214,1004 3.668,1005 6.229,1006 7.297,1007 2.586,1008 10.745,1009 6.09,1010 8.941,1011 1.125,1012 10.919,1013 3.245,1014 6.621,1015 7.948,1016 2.512,1017 12.428,1018 6.434,1019 10.31,1020 1.063,1021 12.661,1022 2.967,1023 8.095,1024 9.8,1025 3.421,1026 14.999,1027 7.905,1028 11.7,1029 1,1030 14.426,1031 2.383,1032 8.858,1033 10.866,1034 3.634,1035 17.025,1036 8.635,1037 13.108,1038 1,1039 16.209,1040 2.275,1041 10.108,1042 12.506,1043 4.385,1044 19.423,1045 9.878,1046 3.135,1047 0.656,1048 18.005,1049 2.275,1050 11.047,1051 13.788,1052 4.744,1053 21.603,1054 10.794,1055 2.892,1056 10.485,1057 19.811,1058 1.604,1059 12.205,1060 15.339,1061 5.402,1062 23.941,1063 11.943,1064 2.798,1065 9.043,1066 21.625,1067 4.516,1068 13.227,1069 16.731,1070 5.84,1071 26.194,1072 12.95,1073 2.672,1074 8.651,1075 23.446,1076 3.635,1077 14.35,1078 18.248,1079 6.444,1080 28.515,1081 14.062,1082 2.511,1083 8.494,1084 25.272,1085 3.558,1086 15.415,1087 19.696,1088 6.926,1089 30.806,1090 15.116,1091 2.072,1092 7.061,1093 27.103,1094 3.092,1095 16.525,1096 21.201,1097 7.499,1098 33.127,1099 16.218,1100 1.956,1101 5.926,1102 28.938,1103 2.889,1104 17.613,1105 22.677,1106 8.004,1107 35.438,1108 17.296,1109 15213,1110 23572,1111 24.561,1112 41.233,1113 54.957,1114 55.816,1115 55.589,1116 54.426,1117 54.316,1118 68.763,1119 6.803,1120 156.993,1121 52.142,1122 5.514,1123 5.695,1124 6.097,1125 5.163,1126 5.135,1127 7.516,1128 2.981,1129 17.275,1130 5.098,1131 13.497,1132 1.527,1133 1.55,1134 1.544,1135 1.512,1136 1.509,1137 1.91,1138 0.189,1139 4.361,1140 1.448,1141 4.153,1142 4.187,1143 4.11,1144 4.077,1145 7.429,1146 4.081,1147 3.925,1148 3.961,1149 3.994,1150 3.845,1151 4.972,1152 3.841,1153 3.863,1154 3.924,1155 3.775,1156 3.736,1157 4.939,1158 3.734,1159 3.806,1160 3.855,1161 3.72,1162 3.667,1163 4.483,1164 3.668,1165 3.452,1166 3.496,1167 3.468,1168 3.296,1169 4.383,1170 3.305,1171 3.271,1172 3.319,1173 3.287,1174 3.078,1175 4.36,1176 3.101,1177 3.136,1178 3.249,1179 3.09,1180 2.92,1181 4.138,1182 2.916,1183 3.104,1184 3.189,1185 2.929,1186 2.899,1187 3.797,1188 2.877,1189 0.127,1190 0.103,1191 0.183,1192 0.115,1193 0.087,1194 4.572,1195 0.125,1196 3.695,1197 0.047,1198 6.578,1199 0.291,1200 4.123,1201 0.086,1202 3.135,1203 4.516,1204 1.706,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.09,1210 2.079,1211 1.345,1212 2.084,1213 1.882,1214 1.857,1215 1.974,1216 1.984,1217 1.286,1218 1.986,1219 1.757,1220 1.712,1221 1.931,1222 1.899,1223 1.143,1224 1.912,1225 1.684,1226 1.628,1227 1.868,1228 1.869,1229 1.064,1230 1.871,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.049,1236 1.795,1237 1.408,1238 1.336,1239 1.627,1240 1.633,1241 0.749,1242 1.636,1243 1.224,1244 1.187,1245 1.435,1246 1.477,1247 0.693,1248 1.446,1249 1.088,1250 1.005,1251 1.403,1252 1.309,1253 0.513,1254 1.356,1255 4.29,1257 5.624,1258 3.045,1259 7.14,1260 5.352,1261 8.733,1262 7.38,1263 10.368,1265 2.236,1266 5.924,1271 7.039,1272 2.95,1275 0.638,1276 4.324,1280 38.476,1281 90.682,1282 230.536,1283 307.369,1284 335.02,1285 335.02,1286 335.02,1287 47.105,1288 8.318,1289 51.37,1290 51.37,1291 28,1292 12.713,1293 4.248,1294 3.459,1295 45.997,1296 156,1297 166,1298 0.142,1299 236.364,1300 408.1,1301 568.488,1302 55100,1303 1.6,1304 22.079,1305 0.69,1306 0.599,1307 22.579,1308 19.16,1309 15.564,1310 0.432,1311 0.327,1312 11.297,1313 14.85,1314 10.987,1315 9.054,1316 15.852,1317 11.756,1318 14.252,1319 0.279,1320 0.183,1321 14.66,1322 9.354,1323 12.375,1324 0.182,1325 0.105,1326 12.664,1327 7.109,1328 10.031,1329 0.115,1330 0.058,1331 10.197,1332 5.016,1333 7.909,1334 0.074,1335 0.031,1336 8.145,1337 3.369,1338 0.229,1339 99.232,1340 0.202,1341 30.441,1342 0.372,1343 174,1344 415.895,1345 200.171,1346 441.342,1347 604.15,1348 414,1349 206,1350 428.654,1351 226.911,1352 448.719,1353 656.44,1354 423,1355 9.42} {0 CHEMBL114877,1 1.428,2 15.618,3 3.132,4 9.809,5 139.134,6 6.745,7 0.553,8 4.307,9 4.446,10 3.801,11 3.819,12 5.303,13 3.783,14 4.877,15 5.079,16 4.15,17 4.251,18 5.773,19 4.189,20 5.166,21 5.389,22 4.138,23 4.427,24 6.013,25 4.302,26 5.331,27 5.615,28 4.078,29 4.441,30 6.078,31 4.279,32 5.275,33 5.559,34 3.996,35 4.38,36 6.017,37 4.214,38 5.231,39 5.523,40 3.978,41 4.333,42 5.958,43 4.169,44 5.158,45 5.439,46 3.958,47 4.266,48 5.952,49 4.119,50 5.078,51 5.35,52 3.802,53 4.202,54 5.859,55 4.039,56 0.097,57 1.048,58 15.926,59 6.082,60 14.682,61 8.82,62 0.29,63 1.703,64 29.41,65 10.053,66 20.628,67 15.033,68 0.371,69 2.049,70 39.754,71 14.573,72 38.245,73 21.258,74 0.458,75 2.218,76 48.119,77 16.649,78 47.974,79 25.171,80 0.46,81 2.098,82 45.583,83 15.738,84 45.914,85 23.65,86 0.362,87 1.993,88 43.493,89 15.327,90 40.4,91 23.12,92 0.414,93 1.88,94 40.593,95 13.701,96 45.384,97 20.669,98 0.376,99 1.749,100 37.282,101 12.682,102 40.835,103 19.1,104 5,105 53,106 0.224,107 0.552,108 0.744,109 0.824,110 0.844,111 0.844,112 3.56,113 0.963,114 -4.79,115 -4.7,116 -4.41,119 39.7,121 4,124 1,125 5,129 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 5,178 12,182 7,184 1,186 3,189 8,193 8,195 1,197 1,199 5,202 1,203 7,206 1,208 1,211 6,215 4,218 1,220 3,222 7,226 5,229 2,231 3,233 6,236 1,237 6,242 4,244 4,249 3,254 1,256 3,259 2150,260 23.292,261 23.292,262 23.292,263 23.292,264 23.292,265 20.853,266 28.172,267 13.857,268 23.767,269 18.797,270 18.797,271 18.797,272 18.797,273 18.797,274 15.225,275 34.625,276 6.619,277 19.587,278 4.66,279 2.574,280 1.35,281 0.839,282 0.717,283 0.717,284 4.268,289 1,290 1180,291 3.808,294 188.067,295 360.473,298 161.085,302 2.486,303 19.519,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 531,316 4.568,317 3.526,318 6.995,319 4.256,320 3.3,321 4.518,322 0.916,323 11.901,324 3.147,325 4.302,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,331 0.8,332 10.431,333 3.062,334 4.129,335 2.899,336 6.095,337 3.689,338 2.753,339 3.459,340 0.172,341 8.884,342 2.577,343 3.916,344 2.883,345 5.476,346 3.571,347 2.594,348 3.292,350 7.359,351 2.542,352 3.462,353 2.738,354 5.31,355 3.333,356 2.41,357 2.812,359 6.874,360 2.223,361 3.387,362 2.265,363 5.126,364 3.013,365 2.038,366 2.593,368 6.001,369 1.985,370 3.247,371 2.182,372 4.78,373 2.939,374 2.003,375 2.42,377 5.301,378 1.867,379 3.147,380 1.795,381 4.514,382 2.73,383 1.776,384 2.243,386 4.655,387 1.69,388 2.782,389 1.5,390 4.134,391 2.388,392 1.397,393 1.862,395 3.484,396 1.383,397 2.742,398 1.374,399 3.802,400 2.318,401 1.333,402 1.845,404 3.004,405 1.312,406 2.5,407 1.173,408 3.625,409 2.1,410 1.135,411 1.5,413 2.562,414 1.093,415 2.43,416 1.077,417 3.491,418 2,419 1,420 1.406,422 2.372,423 1,424 2.266,425 1,426 3.342,427 1.984,428 1,429 1.209,431 2.136,432 0.983,433 2.118,434 0.94,435 3.279,436 1.864,437 0.899,438 1,440 2.104,441 0.865,442 2,443 0.686,444 3.247,445 1.571,446 0.618,447 0.927,449 1.49,450 0.586,451 16.233,452 0.477,453 0.766,454 0.023,455 40.5,456 1.191,457 18,458 0.529,459 22.5,460 0.662,461 33.251,462 0.978,463 37.167,464 0.547,465 29.073,466 0.855,467 7.849,468 0.231,469 8.729,470 0.257,471 0.051,472 0.031,473 0.228,479 0.939,480 1.431,481 0.889,482 1.157,483 0.897,484 1.042,485 1.156,486 1.028,487 0.996,488 0.951,489 0.792,490 0.945,491 1.181,492 1.172,493 1.17,494 1.208,495 1.371,496 1.201,497 0.922,498 0.977,499 0.958,500 0.99,501 0.931,502 0.984,503 1.001,504 0.931,505 1.008,506 0.99,507 1.095,508 1.004,509 0.781,510 0.948,511 0.874,512 0.965,513 0.78,514 0.938,515 1.05,516 0.94,517 0.952,518 0.954,519 1.124,520 0.949,521 1.152,522 0.996,523 1.137,524 1.073,525 1.273,526 1.102,527 7,528 0.169,529 3.556,530 1.882,531 1.428,532 0.986,533 0.728,534 0.272,535 0.278,536 0.241,537 21042,538 46260,539 2.156,540 50,541 2,542 21,543 1,544 2,545 2,547 2,548 4,550 1.753,551 2.071,552 3.9,553 0.147,559 97.082,560 1.428,561 3.513,562 4.738,563 5.249,564 5.37,565 5.37,566 3.377,567 4.455,568 5.06,569 4.113,570 2307.27,571 8.83,572 38163.6,577 413.947,578 1.263,579 5.037,580 0.184,581 0.006,582 0.067,583 0.038,584 0.032,585 0.024,586 0.018,587 0.007,588 0.008,589 0.008,590 0.393,591 0.17,592 0.88,593 0.39,594 187.65,595 0.044,596 -0.177,597 0.073,598 -0.049,599 -0.002,601 -0.07,602 0.144,603 -0.008,604 0.07,605 0.017,606 0.047,607 -0.093,608 -0.135,609 -0.193,610 -0.166,611 -0.117,612 -0.19,613 0.013,614 -0.047,615 0.022,616 -0.003,617 0.038,618 0.008,619 -0.025,620 0.003,621 -0.024,622 -0.009,623 -0.061,624 -0.017,625 0.056,626 -0.036,627 0.099,628 0.024,629 0.082,630 0.06,631 0.006,632 0.002,633 0.041,634 0.019,635 0.003,636 0.03,637 -0.115,638 -0.03,639 -0.149,640 -0.093,641 -0.155,642 -0.12,643 1.838,644 5.152,645 0.765,646 42.969,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.989,654 4.234,655 4.489,656 4.644,657 4.71,658 4.828,659 4.934,660 4.984,661 5.063,662 9.129,663 0.606,664 458.67,665 3.664,666 5.209,667 6.052,668 6.929,669 7.784,670 8.665,671 9.527,672 10.41,673 11.277,674 12.16,675 8.8,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 4,745 16,746 11,747 1,764 34,765 5,766 2,767 7,773 6,777 0.8,778 1,781 1,788 1,792 2,793 3,796 1,815 2,817 1,819 4,823 1,827 34,832 1,833 9,838 2,839 1,844 1,847 1.5,848 1,854 16.417,855 12.117,856 7.375,857 4.141,858 3.48,859 1.422,860 0.971,861 7,862 11.736,863 3.902,864 4.477,865 5.035,866 5.611,867 6.032,868 6.352,869 6.791,870 7.208,871 7.393,872 7.622,873 1,874 49,875 12.608,877 5.349,878 7.488,879 24.918,881 21.043,883 1.988,884 67.583,888 376.675,889 145.003,890 58.259,892 42.683,895 145.003,896 419.359,897 58.259,898 8.396,899 20.667,900 127.541,901 74.105,902 36.634,903 13.915,904 341.362,906 376.675,907 203.262,908 42.683,911 306.049,912 70.627,913 42.683,915 62.837,916 107.099,917 33.326,919 376.675,920 100.943,921 145.003,924 376.675,925 34.512,926 118.639,927 16.786,928 76.009,929 376.675,930 100.943,931 145.003,933 0.58,934 0.331,935 0.179,936 0.091,937 26,938 10,939 0.125,940 9,941 1,942 1.077,943 4.754,944 307.765,945 0.077,946 26,947 160.974,951 23.097,952 10.305,953 5.713,954 2.426,955 82.258,956 22.476,957 7.828,958 3.404,961 3.712,962 1.933,963 59.469,964 622.62,965 48.5,975 67.309,976 77.012,977 0.235,978 0.577,979 0.778,980 0.862,981 0.882,982 0.882,983 5.143,984 1.776,985 6.043,986 5.301,987 4.673,988 5.165,989 1.242,990 6.853,991 4.594,992 6.333,993 1.397,994 7.599,995 4.655,996 4.29,997 4.879,998 0.57,999 7.949,1000 4.148,1001 7.634,1002 1.333,1003 9.265,1004 3.484,1005 6.304,1006 7.329,1007 0.883,1008 10.956,1009 6.147,1010 8.971,1011 1.135,1012 11,1013 3.004,1014 6.781,1015 7.943,1016 0.581,1017 12.913,1018 6.565,1019 10.344,1020 1,1021 12.781,1022 2.562,1023 8.25,1024 9.829,1025 0.68,1026 15.492,1027 8.017,1028 11.741,1029 1,1030 14.595,1031 2.372,1032 9.105,1033 10.88,1034 0.515,1035 17.761,1036 8.822,1037 13.157,1038 0.899,1039 16.433,1040 2.136,1041 10.373,1042 12.534,1043 0.541,1044 20.231,1045 10.067,1046 3.3,1047 0.618,1048 18.288,1049 2.104,1050 11.4,1051 13.81,1052 0.441,1053 22.613,1054 11.048,1055 3.118,1056 11.901,1057 20.157,1058 1.49,1059 12.595,1060 15.365,1061 0.438,1062 25.062,1063 12.214,1064 2.753,1065 10.431,1066 22.037,1067 4.518,1068 13.698,1069 16.754,1070 0.373,1071 27.488,1072 13.276,1073 2.594,1074 8.884,1075 23.926,1076 3.731,1077 14.87,1078 18.272,1079 0.358,1080 29.937,1081 14.414,1082 2.41,1083 7.359,1084 25.821,1085 3.459,1086 16.009,1087 19.718,1088 0.314,1089 32.381,1090 15.512,1091 2.038,1092 6.874,1093 27.723,1094 3.292,1095 17.177,1096 21.222,1097 0.296,1098 34.835,1099 16.643,1100 2.003,1101 6.001,1102 29.629,1103 2.812,1104 18.333,1105 22.697,1106 0.264,1107 37.29,1108 17.758,1109 19297,1110 28814,1111 26.118,1112 44.148,1113 57.224,1114 56.106,1115 57.042,1116 56.507,1117 56.447,1118 71.803,1119 3.778,1120 161.041,1121 54.199,1122 5.568,1123 5.526,1124 6.797,1125 5.316,1126 5.3,1127 7.518,1128 1.605,1129 18.565,1130 5.147,1131 11.058,1132 1.506,1133 1.476,1134 1.501,1135 1.487,1136 1.485,1137 1.89,1138 0.099,1139 4.238,1140 1.426,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 6.446,1146 4.07,1147 3.952,1148 3.999,1149 3.865,1150 3.862,1151 5.135,1152 3.857,1153 3.867,1154 3.918,1155 3.791,1156 3.736,1157 4.927,1158 3.737,1159 3.825,1160 3.896,1161 3.762,1162 3.588,1163 4.755,1164 3.625,1165 3.589,1166 3.662,1167 3.455,1168 3.413,1169 4.315,1170 3.415,1171 3.454,1172 3.532,1173 3.309,1174 3.263,1175 4.252,1176 3.266,1177 3.282,1178 3.348,1179 3.167,1180 3.114,1181 4.171,1182 3.117,1183 3.111,1184 3.206,1185 2.945,1186 2.941,1187 3.901,1188 2.91,1189 0.12,1190 0.093,1191 0.184,1192 0.112,1193 0.087,1194 4.568,1195 0.119,1196 3.526,1197 0.024,1198 6.995,1199 0.313,1200 4.256,1201 0.083,1202 3.3,1203 4.518,1204 0.916,1205 11.901,1206 3.147,1207 1.961,1208 1.936,1209 2.077,1210 2.069,1211 1.433,1212 2.075,1213 1.921,1214 1.888,1215 2.044,1216 2.047,1217 1.281,1218 2.045,1219 1.852,1220 1.801,1221 2.018,1222 1.99,1223 1.173,1224 2.004,1225 1.673,1226 1.619,1227 1.88,1228 1.843,1229 1.116,1230 1.859,1231 1.478,1232 1.398,1233 1.731,1234 1.723,1235 0.901,1236 1.729,1237 1.4,1238 1.328,1239 1.583,1240 1.654,1241 0.825,1242 1.637,1243 1.308,1244 1.24,1245 1.513,1246 1.516,1247 0.737,1248 1.522,1249 1.153,1250 1.064,1251 1.487,1252 1.442,1253 0.586,1254 1.429,1255 4.344,1257 5.666,1258 3.045,1259 7.171,1260 5.283,1261 8.758,1262 7.286,1263 10.39,1265 2.104,1270 11.152,1271 8.387,1276 4.749,1277 -0.588,1280 41.218,1281 97.082,1282 238.9,1283 322.173,1284 356.928,1285 365.193,1286 365.193,1287 52.945,1288 8.256,1289 73.21,1290 73.21,1291 28,1292 12.697,1293 4.459,1294 3.524,1295 50.472,1296 191,1297 174,1298 0.126,1299 251.212,1300 421.29,1301 604.718,1302 55820,1304 23.382,1305 0.688,1306 0.585,1307 23.382,1308 19.898,1309 16.578,1310 0.436,1311 0.321,1312 12.046,1313 16,1314 11.741,1315 9.725,1316 16.578,1317 12.202,1318 15.113,1319 0.285,1320 0.184,1321 15.113,1322 9.74,1323 12.47,1324 0.183,1325 0.103,1326 12.47,1327 7.035,1328 10.548,1329 0.12,1330 0.059,1331 10.548,1332 5.165,1333 7.909,1334 0.077,1335 0.035,1336 7.909,1337 3.573,1338 0.208,1339 103.308,1340 0.196,1341 32.443,1342 0.321,1343 182,1344 426.708,1345 195.62,1346 423.143,1347 588.73,1348 398,1349 212,1350 443.154,1351 227.509,1352 454.833,1353 656.14,1354 425,1355 8.921} {0 CHEMBL115352,1 1.4,2 14.281,3 3.014,4 9.084,5 132.663,6 6.267,7 0.429,8 4.317,9 4.468,10 3.74,11 3.786,12 5.264,13 3.738,14 4.915,15 5.139,16 4.118,17 4.236,18 5.746,19 4.163,20 5.214,21 5.438,22 4.099,23 4.445,24 6.043,25 4.302,26 5.461,27 5.782,28 4.056,29 4.471,30 6.131,31 4.286,32 5.292,33 5.571,34 3.938,35 4.394,36 6.016,37 4.209,38 5.337,39 5.662,40 3.957,41 4.338,42 5.997,43 4.153,44 5.179,45 5.449,46 3.876,47 4.261,48 5.983,49 4.1,50 5.2,51 5.518,52 3.66,53 4.192,54 5.839,55 3.976,56 0.112,57 1.056,58 17.556,59 6.233,60 15.843,61 9.578,62 0.316,63 1.699,64 31.989,65 10.369,66 22.375,67 16.337,68 0.381,69 2.087,70 42.674,71 15.013,72 40.634,73 22.828,74 0.572,75 2.241,76 53.83,77 17.179,78 53.702,79 27.34,80 0.433,81 2.035,82 45.594,83 15.715,84 44.481,85 24.114,86 0.418,87 1.954,88 47.2,89 15.646,90 45.512,91 24.527,92 0.495,93 1.807,94 41.355,95 13.114,96 51.318,97 20.405,98 0.401,99 1.726,100 41.278,101 13.24,102 37.947,103 21.186,104 30,105 51,106 0.221,107 0.529,108 0.728,109 0.789,110 0.801,111 0.801,112 3.502,113 1.011,114 -4.61,115 -4.54,116 -4.27,119 35.7,120 3,121 4,123 1,124 1,125 5,129 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 8,171 2,172 6,176 5,178 9,182 8,184 1,186 3,189 5,193 6,195 1,197 1,199 5,202 1,203 6,206 1,208 1,211 6,215 4,218 1,220 4,222 9,226 5,229 2,231 1,233 2,236 1,237 7,242 3,244 2,249 1,254 1,256 3,259 1776,260 20.963,261 20.963,262 20.963,263 20.963,264 20.963,265 19.276,266 26.043,267 12.139,268 21.435,269 17.302,270 17.302,271 17.302,272 17.302,273 17.302,274 14.764,275 30.449,276 5.782,277 18.088,278 4.729,279 2.78,280 1.518,281 1.136,282 1.058,283 1.058,284 4.192,289 1,290 985,291 4.472,294 176.261,295 213.043,298 150.685,302 2.236,303 20.056,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 68,315 457,316 4.568,317 3.528,318 6.996,319 4.266,320 3.308,321 4.518,322 0.8,323 11.905,324 3.166,325 4.308,326 3.196,327 6.566,328 4.103,329 3.118,330 3.731,331 0.8,332 10.431,333 3.079,334 4.129,335 3.16,336 6.441,337 4.099,338 3.112,339 3.308,341 10.138,342 3.062,343 4.112,344 2.885,345 6.095,346 3.689,347 2.753,348 3.112,350 8.884,351 2.577,352 3.461,353 2.753,354 5.315,355 3.339,356 2.419,357 2.812,359 6.888,360 2.226,361 3.384,362 2.359,363 5.127,364 3.014,365 2.041,366 2.593,368 6.001,369 1.985,370 3.246,371 2.183,372 4.862,373 2.923,374 2.003,375 2.41,377 5.51,378 1.833,379 3.014,380 1.795,381 4.514,382 2.73,383 1.776,384 2.014,386 4.655,387 1.69,388 2.743,389 1.374,390 4.134,391 2.32,392 1.334,393 1.848,395 3.484,396 1.314,397 2.43,398 1.173,399 3.802,400 2.1,401 1.135,402 1.406,404 2.564,405 1.093,406 2.266,407 1.077,408 3.537,409 1.984,410 1,411 1.209,413 2.372,414 0.983,415 2.118,416 0.94,417 3.396,418 1.864,419 0.899,420 1,422 2.104,423 0.865,424 2,425 0.686,426 3.305,427 1.571,428 0.618,429 0.927,431 1.491,432 0.586,433 1.996,434 0.618,435 3.168,436 1.518,437 0.614,438 0.833,440 1.372,441 0.556,442 1.306,443 0.351,444 3,445 1.203,446 0.233,447 0.247,449 0.585,450 0.225,451 15.233,452 0.476,453 1.051,454 0.033,455 33,456 1.031,457 12,458 0.375,459 21,460 0.656,461 37.466,462 1.171,463 36.967,464 0.528,465 22.601,466 0.706,467 5.876,468 0.184,469 9.331,470 0.292,471 0.153,472 0.066,473 0.21,479 0.95,480 1.586,481 0.978,482 1.301,483 0.971,484 1.168,485 1.11,486 1.019,487 0.942,488 0.919,489 0.716,490 0.903,491 1.172,492 1.362,493 1.281,494 1.397,495 1.394,496 1.369,497 0.899,498 0.788,499 0.826,500 0.787,501 0.811,502 0.797,503 0.959,504 1.085,505 1.107,506 1.171,507 1.155,508 1.165,509 0.714,510 0.835,511 0.712,512 0.818,513 0.709,514 0.775,515 1.485,516 1.06,517 1.172,518 1.081,519 1.85,520 1.109,521 0.826,522 0.947,523 0.981,524 0.99,525 0.788,526 0.999,527 9,528 0.193,529 3.778,530 2.194,531 1.277,532 1.146,533 0.709,534 0.306,535 0.311,536 0.238,537 16281,538 32424,539 2.048,540 54.3,541 11,542 16,543 1,544 2,545 2,547 2,548 4,550 1.738,551 1.901,552 3.763,553 0.177,559 98.022,560 1.4,561 3.349,562 4.611,563 4.993,564 5.072,565 5.072,566 3.219,567 4.351,568 4.973,569 4.005,570 1986.71,571 8.658,572 31099.3,577 429.05,578 1.615,579 4.911,580 0.257,581 0.007,582 0.074,583 0.049,584 0.029,585 0.031,586 0.018,587 0.009,588 0.012,589 0.009,590 0.495,591 0.17,592 1,593 1.2,594 172.643,595 0.059,596 -0.227,597 0.072,598 -0.079,599 -0.036,600 -0.018,601 -0.024,602 0.184,603 0.096,604 0.156,605 0.093,606 0.145,607 -0.099,608 -0.245,609 -0.275,610 -0.29,611 -0.145,612 -0.304,613 0.025,614 0.101,615 0.138,616 0.158,617 0.09,618 0.161,619 -0.036,620 -0.098,621 -0.134,622 -0.146,623 -0.122,624 -0.153,625 0.115,626 0.028,627 0.236,628 0.139,629 0.179,630 0.193,631 -0.143,632 -0.071,633 -0.156,634 -0.087,635 -0.209,636 -0.125,637 -0.014,638 -0.04,639 -0.026,640 -0.039,641 -0.049,642 -0.035,643 1.8,644 5.071,645 0.625,646 37.625,647 0.987,648 1.141,649 3.385,650 11.457,651 0.624,652 3.584,653 3.951,654 4.127,655 4.394,656 4.511,657 4.644,658 4.727,659 4.828,660 4.898,661 4.942,662 8.56,663 0.575,664 438.69,665 3.584,666 5.153,667 5.984,668 6.88,669 7.726,670 8.624,671 9.477,672 10.375,673 11.234,674 12.131,675 8.6,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 70,716 15,717 1,718 35,720 73,721 25,722 10,723 3,724 3,730 4,731 5,736 3,737 1,740 2,741 1,743 4,745 10,746 15,747 1,764 38,765 5,766 2,767 7,773 6,777 0.75,778 1,781 1,788 1,792 2,793 2,796 1,815 2,817 1,819 3,823 4,827 32,832 1,833 9,838 2,839 2,844 1,847 1.4,848 1,854 16.833,855 13.45,856 6.75,857 4.28,858 2.744,859 1.346,860 0.925,861 6.942,862 10.667,863 3.773,864 4.35,865 4.86,866 5.446,867 5.844,868 6.273,869 6.726,870 7.155,871 7.35,872 7.573,873 1,874 45,875 11.892,877 4.994,878 7.474,879 23.624,881 19.943,883 1.974,884 63.167,888 423.76,889 120.911,890 58.259,892 42.683,895 120.911,896 466.443,897 58.259,898 34.872,899 20.667,900 80.16,901 74.105,902 33.449,903 13.915,904 388.446,906 423.76,907 179.171,908 42.683,911 353.133,912 70.627,913 42.683,915 89.313,916 56.532,917 33.326,919 423.76,920 100.943,921 120.911,924 423.76,925 31.326,926 97.733,927 16.786,928 76.009,929 423.76,930 100.943,931 120.911,933 0.595,934 0.315,935 0.169,936 0.08,937 25,938 11,939 0.123,940 9,941 1,942 1.1,943 4.408,944 280.794,945 0.1,946 20,947 147.245,951 23.281,952 9.542,953 6.134,954 2.436,955 82.258,956 12.008,957 7.821,958 3.402,961 2.433,962 1.935,963 59.469,964 645.614,965 42.5,975 69.076,976 79.842,977 0.228,978 0.546,979 0.752,980 0.815,981 0.827,982 0.827,983 5.055,984 1.776,985 6.033,986 5.51,987 4.635,988 5.037,989 1.072,990 6.884,991 4.552,992 6.274,993 1.334,994 7.624,995 4.655,996 4.511,997 4.956,998 0.57,999 8.155,1000 4.398,1001 7.602,1002 1.135,1003 9.324,1004 3.484,1005 6.354,1006 7.211,1007 0.653,1008 11.083,1009 6.205,1010 8.963,1011 1,1012 11.09,1013 2.564,1014 6.995,1015 7.953,1016 0.479,1017 13.105,1018 6.822,1019 10.355,1020 0.899,1021 12.896,1022 2.372,1023 8.384,1024 9.734,1025 0.432,1026 15.656,1027 8.18,1028 11.767,1029 0.618,1030 14.729,1031 2.104,1032 9.329,1033 10.864,1034 0.346,1035 17.935,1036 9.103,1037 13.195,1038 0.614,1039 16.58,1040 1.491,1041 10.565,1042 12.465,1043 0.291,1044 20.39,1045 10.311,1046 3.308,1047 0.233,1048 18.445,1049 1.372,1050 11.635,1051 13.787,1052 0.237,1053 22.764,1054 11.356,1055 3.118,1056 11.905,1057 20.32,1058 0.585,1059 12.819,1060 15.318,1061 0.195,1062 25.199,1063 12.513,1064 3.112,1065 10.431,1066 22.202,1067 4.518,1068 13.942,1069 16.734,1070 0.158,1071 27.613,1072 13.608,1073 2.753,1074 10.138,1075 24.091,1076 3.731,1077 15.11,1078 18.242,1079 0.129,1080 30.049,1081 14.748,1082 2.419,1083 8.884,1084 25.986,1085 3.308,1086 16.256,1087 19.702,1088 0.104,1089 32.482,1090 15.865,1091 2.041,1092 6.888,1093 27.884,1094 3.112,1095 17.421,1096 21.203,1097 0.084,1098 34.925,1099 16.999,1100 2.003,1101 6.001,1102 29.787,1103 2.812,1104 18.579,1105 22.686,1106 0.068,1107 37.369,1108 18.125,1109 15527,1110 22240,1111 22.94,1112 43.671,1113 53.734,1114 52.437,1115 53.088,1116 52.733,1117 52.728,1118 63.938,1119 3.2,1120 156.764,1121 50.482,1122 5.568,1123 5.528,1124 6.593,1125 5.325,1126 5.308,1127 7.518,1128 1.2,1129 18.569,1130 5.166,1131 17.485,1132 1.535,1133 1.498,1134 1.517,1135 1.507,1136 1.507,1137 1.827,1138 0.091,1139 4.479,1140 1.442,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 6.446,1146 4.07,1147 3.925,1148 3.983,1149 3.815,1150 3.771,1151 5.135,1152 3.773,1153 3.83,1154 3.905,1155 3.788,1156 3.643,1157 4.927,1158 3.64,1159 3.771,1160 3.837,1161 3.634,1162 3.585,1163 4.404,1164 3.614,1165 3.564,1166 3.631,1167 3.42,1168 3.403,1169 4.29,1170 3.403,1171 3.399,1172 3.486,1173 3.252,1174 3.196,1175 4.242,1176 3.201,1177 3.272,1178 3.343,1179 3.132,1180 3.088,1181 4.074,1182 3.087,1183 3.111,1184 3.206,1185 2.915,1186 2.941,1187 3.897,1188 2.91,1189 0.131,1190 0.101,1191 0.2,1192 0.122,1193 0.095,1194 4.568,1195 0.129,1196 3.528,1197 0.023,1198 6.996,1199 0.34,1200 4.266,1201 0.09,1202 3.308,1203 4.518,1204 0.8,1205 11.905,1206 3.166,1207 1.961,1208 1.936,1209 2.076,1210 2.068,1211 1.435,1212 2.074,1213 1.875,1214 1.821,1215 2.039,1216 2.045,1217 1.299,1218 2.043,1219 1.779,1220 1.719,1221 2.006,1222 1.951,1223 1.263,1224 1.974,1225 1.667,1226 1.613,1227 1.877,1228 1.833,1229 1.119,1230 1.852,1231 1.436,1232 1.358,1233 1.703,1234 1.692,1235 0.888,1236 1.695,1237 1.388,1238 1.315,1239 1.581,1240 1.641,1241 0.825,1242 1.631,1243 1.29,1244 1.21,1245 1.513,1246 1.509,1247 0.726,1248 1.518,1249 1.153,1250 1.064,1251 1.487,1252 1.442,1253 0.582,1254 1.429,1255 4.263,1257 5.617,1258 3.045,1259 7.133,1260 5.283,1261 8.726,1262 7.286,1263 10.363,1265 8.879,1270 11.071,1271 8.675,1276 4.802,1277 -0.295,1280 40.272,1281 98.022,1282 234.459,1283 322.772,1284 349.501,1285 355.011,1286 355.011,1287 58.688,1288 7.923,1289 73.21,1290 73.21,1291 22,1292 12.662,1293 4,1294 3.087,1295 52.34,1296 169,1297 136,1298 0.15,1299 248.203,1300 417.87,1301 597.375,1302 34681,1304 22.769,1305 0.712,1306 0.625,1307 22.769,1308 20.011,1309 15.207,1310 0.434,1311 0.337,1312 11.635,1313 14.631,1314 11.153,1315 9.351,1316 15.207,1317 11.792,1318 15.138,1319 0.297,1320 0.212,1321 15.138,1322 10.815,1323 10.971,1324 0.18,1325 0.106,1326 10.971,1327 6.484,1328 9.59,1329 0.12,1330 0.064,1331 9.59,1332 5.08,1333 6.595,1334 0.073,1335 0.035,1336 6.595,1337 3.164,1338 0.246,1339 95.081,1340 0.209,1341 30.677,1342 0.385,1343 172,1344 384.708,1345 185.62,1346 380.767,1347 525.56,1348 356,1349 198,1350 395.154,1351 213.675,1352 408.144,1353 586.09,1354 377,1355 8.745} {0 CHEMBL115415,1 1.265,2 9.143,3 3.095,4 9.577,5 91.853,6 6.162,7 0.435,8 3.891,9 4.041,10 3.312,11 3.414,12 4.8,13 3.353,14 4.471,15 4.703,16 3.632,17 3.831,18 5.259,19 3.745,20 4.668,21 4.89,22 3.628,23 4.017,24 5.439,25 3.869,26 4.85,27 5.143,28 3.489,29 4.006,30 5.503,31 3.804,32 4.708,33 5.013,34 3.42,35 3.845,36 5.353,37 3.66,38 4.489,39 4.738,40 3.422,41 3.754,42 5.25,43 3.61,44 4.526,45 4.787,46 3.237,47 3.709,48 5.265,49 3.531,50 4.503,51 4.816,52 2.968,53 3.54,54 5.114,55 3.311,56 0.063,57 0.68,58 11.395,59 4.237,60 8.499,61 6.433,62 0.181,63 1.1,64 20.356,65 6.742,66 14.026,67 10.601,68 0.135,69 1.29,70 24.15,71 9.794,72 17.267,73 14.393,74 0.163,75 1.367,76 28.317,77 11.296,78 21.283,79 16.733,80 0.176,81 1.181,82 24.623,83 9.513,84 18.756,85 14.197,86 0.125,87 1.047,88 20.172,89 7.537,90 16.272,91 11.423,92 0.161,93 1.057,94 21.067,95 7.323,96 17.916,97 11.366,98 0.164,99 0.932,100 20.077,101 7.318,102 15.63,103 11.139,104 13,105 32,106 0.22,107 0.552,108 0.741,109 0.792,110 0.838,111 0.838,112 3.103,113 1.012,114 -3.58,115 -3.56,116 -3.39,119 39.1,121 2,124 3,125 3,134 1,135 1,140 3,141 3,149 1,150 1,169 9,172 3,176 3,178 11,182 2,186 3,189 11,193 2,197 1,199 8,203 3,206 1,208 1,211 4,215 4,220 2,222 2,226 3,237 3,240 1,259 549,260 14.085,261 14.085,262 14.085,263 14.085,264 14.085,265 12.734,266 14.413,267 8.303,268 14.37,269 11.352,270 11.352,271 11.352,272 11.352,273 11.352,274 9.252,275 14.156,276 3.972,277 11.777,278 4.259,279 2.344,280 1.262,281 0.968,282 0.701,283 0.701,284 3.783,287 1,288 1,289 1,290 408,291 2.828,294 45.852,295 113.553,298 80.906,302 1.415,303 6.664,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 43.5,315 192,316 4.568,317 3.201,318 6.566,319 4.108,320 3.119,321 4.515,322 0.916,323 10.432,324 3.086,325 4.111,326 3.002,327 6.098,328 3.76,329 2.772,330 3.553,331 0.8,332 8.897,333 2.741,334 3.459,335 2.62,336 5.148,337 3.242,338 2.306,339 2.747,340 0.172,341 6.159,342 2.163,343 3.337,344 2.544,345 5.038,346 3.147,347 2.222,348 2.477,350 6.001,351 2.058,352 3.146,353 2.111,354 4.625,355 2.876,356 1.912,357 2.182,359 5.024,360 1.832,361 2.937,362 1.645,363 4.376,364 2.463,365 1.491,366 2.014,368 4.2,369 1.446,370 2.67,371 1.398,372 4.078,373 2.206,374 1.219,375 1.721,377 3.295,378 1.202,379 2.191,380 1.284,381 3.414,382 1.984,383 1,384 1.075,386 2.275,387 0.983,388 2.061,389 0.888,390 3.282,391 1.763,392 0.805,393 1.028,395 1.857,396 0.769,397 1.578,398 0.453,399 2.884,400 1.349,401 0.376,402 0.445,404 0.873,405 0.365,406 0.985,407 0.102,408 2.633,409 0.825,410 -0.146,411 -0.157,413 -0.329,414 -0.142,415 0.7,416 -0.358,417 2.196,418 0.358,419 -0.606,420 -0.731,422 -1.504,423 -0.581,424 0.623,425 -0.6,426 2,427 0.159,428 -0.834,429 -1,431 -2,432 -0.827,433 0.258,434 -0.632,435 2,436 -0.049,437 -1,438 -1.09,440 -2.588,441 -0.9,442 0.137,443 -0.745,444 1.885,445 -0.1,446 -1,447 -1.159,449 -2.985,450 -0.946,451 10.2,452 0.486,453 0.541,454 0.026,455 23,456 1.095,457 9.5,458 0.452,459 13.5,460 0.643,461 18.186,462 0.866,463 23.4,464 0.509,465 15.017,466 0.715,467 4.629,468 0.22,469 5.502,470 0.262,471 0.147,473 0.324,479 1.111,480 1.513,481 0.994,482 1.213,483 1.092,484 1.115,485 1.837,486 0.824,487 1.016,488 0.734,489 0.965,490 0.798,491 0.909,492 1.2,493 1.187,494 1.258,495 1.049,496 1.246,497 0.63,498 0.985,499 0.94,500 1.034,501 1.006,502 1.015,503 0.583,504 0.869,505 0.791,506 0.877,507 0.777,508 0.854,509 0.962,510 1.228,511 1.039,512 1.147,513 0.947,514 1.107,515 1.445,516 1.251,517 1.317,518 1.256,519 1.609,520 1.273,521 0.832,522 1.021,523 1.011,524 1.058,525 0.975,526 1.05,527 4.5,528 0.045,529 2.667,530 0.979,531 0.836,532 0.76,533 0.504,534 0.175,535 0.227,536 0.11,537 4286,538 7685,539 2.074,540 54.3,542 19,543 1,545 1,547 4,550 1.632,551 1.938,552 3.183,553 -0.385,554 1,555 1,559 58.174,560 1.265,561 3.179,562 4.262,563 4.556,564 4.822,565 4.822,566 2.684,567 4.107,568 4.359,569 3.304,570 693.92,571 7.471,572 7307.1,574 1,576 1,577 254.084,578 1.418,579 4.322,580 0.196,581 0.008,582 0.083,583 0.033,584 0.033,585 0.032,586 0.021,587 0.01,588 0.017,589 0.011,590 0.444,591 0.83,592 1,593 1.238,594 94.736,595 0.081,596 -0.243,597 0.076,598 -0.076,599 0.016,600 -0.013,601 -0.274,602 0.347,603 0.049,604 0.266,605 0.031,606 0.197,607 -0.123,608 -0.11,609 -0.195,610 -0.172,611 -0.104,612 -0.186,613 0.028,614 -0.053,615 0.006,616 -0.027,617 -0.048,618 -0.015,619 0.183,620 0.054,621 0.162,622 0.106,623 0.14,624 0.128,625 0.002,626 -0.178,627 -0.043,628 -0.118,629 0.058,630 -0.09,631 -0.23,632 -0.197,633 -0.309,634 -0.274,635 -0.403,636 -0.294,637 0.096,638 -0.106,639 -0.053,640 -0.113,641 -0.012,642 -0.098,643 0.437,644 0.903,645 0.714,646 17.034,647 0.979,648 1.132,649 2.355,650 5.544,651 0.639,652 3.178,653 3.497,654 3.738,655 3.989,656 4.234,657 4.331,658 4.443,659 4.554,660 4.564,661 4.575,662 5.372,663 0.584,664 283.46,665 3.178,666 4.71,667 5.549,668 6.422,669 7.287,670 8.167,671 9.044,672 9.929,673 10.811,674 11.699,675 6.5,678 2,683 1,687 2,688 4,690 1,693 2,695 10,714 46,716 11,717 1,718 23,720 48,721 18,722 8,723 3,724 3,725 2,730 3,731 4,740 1,743 2,745 10,746 8,750 1,757 1,759 1,760 1,761 1,764 25,765 2,766 1,767 3,773 3,777 0.667,788 1,792 1,793 2,796 1,810 1,811 1,815 2,819 2,823 3,827 21,833 5,838 2,854 10.833,855 9.067,856 4.583,857 2.761,858 2.353,859 1.343,860 0.99,861 4.247,862 9.222,863 3.401,864 3.994,865 4.591,866 5.2,867 5.727,868 6.128,869 6.561,870 6.933,871 7.004,872 7.184,873 1,874 30,875 7.779,877 3.176,878 7.325,879 15.659,881 12.931,883 1.825,884 38.333,885 0.002,887 1,888 282.506,889 97.802,890 23.034,895 97.802,896 282.506,897 23.034,898 25.189,899 11.386,900 46.952,902 35.164,903 13.915,904 270.735,906 282.506,907 120.836,911 235.422,912 47.084,915 34.42,916 76.939,917 9.476,919 282.506,920 23.034,921 97.802,924 282.506,925 25.66,926 78.39,927 16.786,929 282.506,930 23.034,931 97.802,933 0.582,934 0.32,935 0.165,936 0.099,937 16,938 7,939 0.083,940 4,941 1,942 1.133,943 3.362,944 159.838,945 0.133,946 15,947 90.239,951 14.519,952 6.143,953 3.262,954 2.634,955 6.249,956 9.018,958 3.403,961 2.815,963 16.786,964 403.342,965 29,972 2.372,974 1.495,975 45.025,976 52.062,977 0.229,978 0.576,979 0.772,980 0.825,981 0.873,982 0.873,983 4.64,984 1,985 5.533,986 3.295,987 4.174,988 4.677,989 1.242,990 6.323,991 4.113,992 5.837,993 0.805,994 7.079,995 2.275,996 3.761,997 4.527,998 0.57,999 7.195,1000 3.667,1001 7.141,1002 0.376,1003 8.723,1004 1.857,1005 5.746,1006 6.9,1007 0.883,1008 10.266,1009 5.646,1010 8.483,1011 -0.146,1012 10.425,1013 0.873,1014 6.133,1015 7.64,1016 0.581,1017 11.991,1018 6.02,1019 9.862,1020 -0.606,1021 12.165,1022 -0.329,1023 7.602,1024 9.494,1025 0.68,1026 14.579,1027 7.483,1028 11.267,1029 -0.834,1030 13.933,1031 -1.504,1032 8.366,1033 10.651,1034 0.515,1035 16.657,1036 8.245,1037 12.694,1038 -1,1039 15.723,1040 -2,1041 9.624,1042 12.294,1043 0.541,1044 19.077,1045 9.495,1046 3.119,1047 -1,1048 17.528,1049 -2.588,1050 10.573,1051 13.644,1052 0.441,1053 21.301,1054 10.444,1055 2.772,1056 10.432,1057 19.346,1058 -2.985,1059 11.743,1060 15.2,1061 0.438,1062 23.661,1063 11.607,1064 2.306,1065 8.897,1066 21.174,1067 4.515,1068 12.782,1069 16.636,1070 0.373,1071 25.947,1072 12.643,1073 2.222,1074 6.159,1075 23.011,1076 3.553,1077 13.918,1078 18.159,1079 0.358,1080 28.287,1081 13.772,1082 1.912,1083 6.001,1084 24.853,1085 2.747,1086 15.001,1087 19.633,1088 0.314,1089 30.6,1090 14.849,1091 1.491,1092 5.024,1093 26.701,1094 2.477,1095 16.126,1096 21.144,1097 0.296,1098 32.935,1099 15.967,1100 1.219,1101 4.2,1102 28.553,1103 2.182,1104 17.231,1105 22.634,1106 0.264,1107 35.26,1108 17.064,1109 4235,1110 5742,1111 15.315,1112 29.393,1113 34.9,1114 34.432,1115 35.366,1116 34.495,1117 34.446,1118 43.516,1119 3.778,1120 98.026,1121 33.29,1122 5.491,1123 5.201,1124 5.98,1125 5.144,1126 5.119,1127 7.515,1128 1.605,1129 17.102,1130 5.086,1131 10.162,1132 1.517,1133 1.497,1134 1.538,1135 1.5,1136 1.498,1137 1.892,1138 0.164,1139 4.262,1140 1.447,1141 4.145,1142 4.178,1143 4.102,1144 4.071,1145 4.966,1146 4.075,1147 3.839,1148 3.898,1149 3.743,1150 3.714,1151 4.506,1152 3.714,1153 3.651,1154 3.738,1155 3.504,1156 3.454,1157 4.323,1158 3.454,1159 3.413,1160 3.48,1161 3.297,1162 3.239,1163 4.196,1164 3.244,1165 3.187,1166 3.276,1167 3.009,1168 3.005,1169 3.867,1170 2.995,1171 3.071,1172 3.174,1173 2.852,1174 2.876,1175 3.754,1176 2.848,1177 3.027,1178 3.118,1179 2.8,1180 2.838,1181 3.502,1182 2.824,1183 2.874,1184 3.009,1185 2.668,1186 2.719,1187 3.475,1188 2.698,1189 0.199,1190 0.139,1191 0.285,1192 0.179,1193 0.136,1194 4.568,1195 0.196,1196 3.201,1197 0.04,1198 6.566,1199 0.454,1200 4.108,1201 0.134,1202 3.119,1203 4.515,1204 0.916,1205 10.432,1206 3.086,1207 1.995,1208 1.972,1209 2.094,1210 2.076,1211 1.337,1212 2.085,1213 1.762,1214 1.71,1215 1.948,1216 1.928,1217 1.221,1218 1.939,1219 1.675,1220 1.61,1221 1.881,1222 1.89,1223 1.053,1224 1.893,1225 1.449,1226 1.367,1227 1.692,1228 1.689,1229 0.785,1230 1.694,1231 1.245,1232 1.164,1233 1.559,1234 1.475,1235 0.717,1236 1.507,1237 1.093,1238 1,1239 1.437,1240 1.339,1241 0.624,1242 1.381,1243 1.056,1244 0.962,1245 1.417,1246 1.286,1247 0.506,1248 1.335,1249 0.934,1250 0.805,1251 1.4,1252 1.239,1253 0.469,1254 1.308,1255 3.85,1257 5.165,1258 2.398,1259 6.666,1260 4.727,1261 8.253,1262 6.823,1263 9.89,1265 6.44,1271 5.556,1276 4.6,1280 26.859,1281 58.174,1282 146.254,1283 196.045,1284 209.555,1285 221.819,1286 221.819,1287 23.686,1288 6.869,1289 22.27,1290 22.27,1291 17,1292 12.231,1293 3.585,1294 2.807,1295 32.181,1296 67,1297 67,1298 0.242,1299 166.998,1300 280.88,1301 399.236,1302 7854,1304 14.82,1305 0.706,1306 0.634,1307 14.82,1308 13.317,1309 10.131,1310 0.44,1311 0.337,1312 7.665,1313 9.83,1314 7.327,1315 6.156,1316 10.131,1317 7.76,1318 9.326,1319 0.291,1320 0.199,1321 9.326,1322 6.369,1323 7.444,1324 0.182,1325 0.107,1326 7.444,1327 4.379,1328 5.971,1329 0.113,1330 0.056,1331 5.971,1332 2.962,1333 5.016,1334 0.074,1335 0.032,1336 5.016,1337 2.176,1338 0.374,1339 62.719,1340 0.256,1341 20.773,1342 0.679,1343 110,1344 223.623,1345 114.885,1346 226.253,1347 318.45,1348 214,1349 128,1350 237.141,1351 133.995,1352 250.606,1353 361.91,1354 232,1355 8.097} {0 CHEMBL115496,1 1.54,2 15.03,3 2.177,4 4.738,5 129.323,6 6.786,7 0.417,8 4.293,9 4.431,10 3.775,11 3.741,12 5.321,13 3.72,14 4.875,15 5.074,16 4.168,17 4.172,18 5.88,19 4.127,20 5.173,21 5.387,22 4.111,23 4.351,24 6.097,25 4.246,26 5.32,27 5.603,28 4.063,29 4.353,30 6.171,31 4.207,32 5.215,33 5.497,34 3.985,35 4.215,36 6.174,37 4.087,38 5.058,39 5.314,40 3.922,41 4.136,42 5.927,43 4.025,44 5.044,45 5.299,46 3.965,47 4.146,48 5.958,49 4.037,50 5.073,51 5.321,52 3.784,53 4.182,54 5.933,55 4.028,56 0.066,57 1.007,58 15.864,59 5.798,60 15.97,61 8.515,62 0.445,63 1.584,64 29.898,65 9.771,66 41.783,67 14.734,68 0.547,69 1.888,70 41.174,71 13.436,72 61.174,73 19.786,74 0.558,75 1.982,76 48.525,77 14.814,78 73.821,79 23.296,80 0.83,81 1.757,82 44.457,83 12.361,84 103.463,85 19.691,86 0.482,87 1.57,88 37.312,89 11.281,90 56.223,91 17.259,92 0.556,93 1.583,94 36.73,95 11.342,96 61.836,97 17.303,98 0.474,99 1.639,100 37.404,101 11.908,102 59.917,103 18.134,104 31,105 52,106 0.245,107 0.58,108 0.745,109 0.791,110 0.804,111 0.804,112 3.531,113 0.965,114 -3.65,115 -3.62,116 -3.45,119 35.8,120 3,121 4,125 4,129 2,140 3,141 2,142 1,149 1,150 1,157 1,158 2,164 1,169 5,171 3,172 8,174 2,176 5,178 9,182 3,185 1,186 5,189 5,193 9,195 1,197 4,199 5,203 10,206 4,211 4,215 4,218 1,220 1,222 3,225 2,226 3,229 2,231 5,233 8,236 1,237 3,242 4,244 2,249 5,254 2,256 2,259 2000,260 21.67,261 21.67,262 21.67,263 21.67,264 21.67,265 19.828,266 28.938,267 12.572,268 22.229,269 17.775,270 17.775,271 17.775,272 17.775,273 17.775,274 14.951,275 34.915,276 5.982,277 18.691,278 4.527,279 2.416,280 1.378,281 1.086,282 1.004,283 1.004,284 4.221,288 1,289 1,290 1067,291 4.583,294 184.47,295 223.22,298 158.085,302 2.397,303 30.231,306 1,307 0.67,308 0.83,309 1,310 1,311 1,312 1,313 0.93,314 72,315 496,316 4.568,317 3.763,318 6.973,319 4.24,320 3.283,321 4.518,322 2.186,323 11.781,324 3.133,325 4.287,326 3.49,327 6.566,328 4.099,329 3.127,330 3.731,331 0.8,332 10.431,333 3.062,334 4.151,335 3.196,336 6.444,337 4.066,338 3.118,339 3.296,340 0.366,341 10.15,342 2.923,343 4.129,344 3.164,345 6.095,346 3.689,347 2.753,348 3.189,350 8.884,351 2.577,352 3.485,353 2.885,354 5.31,355 3.334,356 2.413,357 2.812,359 6.874,360 2.223,361 3.447,362 2.745,363 5.126,364 3.12,365 2.153,366 2.595,368 6,369 2.051,370 3.369,371 2.183,372 4.904,373 3.008,374 2.029,375 2.586,377 5.725,378 1.978,379 3.246,380 1.795,381 4.514,382 2.73,383 1.776,384 2.392,386 4.655,387 1.69,388 2.743,389 1.38,390 4.134,391 2.323,392 1.336,393 1.848,395 3.484,396 1.317,397 2.431,398 1.276,399 3.802,400 2.106,401 1.14,402 1.407,404 2.58,405 1.098,406 2.27,407 1.161,408 3.671,409 1.984,410 1,411 1.214,413 2.372,414 0.983,415 2.118,416 1.077,417 3.444,418 1.867,419 0.903,420 1,422 2.112,423 0.868,424 2.005,425 0.938,426 3.312,427 1.642,428 0.695,429 0.927,431 1.685,432 0.652,433 2,434 0.732,435 3.173,436 1.535,437 0.618,438 0.85,440 1.416,441 0.556,442 1.764,443 0.678,444 3,445 1.518,446 0.584,447 0.685,449 1.372,450 0.553,451 15.4,452 0.467,453 1.051,454 0.032,455 35.5,456 1.076,457 13.5,458 0.409,459 22,460 0.667,461 35.815,462 1.085,463 38,464 0.567,465 26.311,466 0.797,467 6.605,468 0.2,469 9.102,470 0.276,471 0.141,472 0.065,473 0.214,479 0.866,480 1.542,481 0.885,482 1.279,483 0.759,484 1.11,485 0.771,486 1.083,487 0.859,488 1.014,489 0.525,490 0.948,491 1.354,492 1.16,493 1.244,494 1.19,495 1.162,496 1.214,497 0.871,498 1.014,499 0.915,500 0.994,501 0.949,502 0.97,503 1.022,504 0.833,505 0.976,506 0.853,507 1.278,508 0.895,509 1.209,510 1.001,511 1.014,512 0.981,513 1.262,514 0.978,515 1.016,516 0.967,517 0.953,518 0.963,519 1.095,520 0.96,521 1.126,522 1.1,523 1.287,524 1.213,525 1.241,526 1.272,527 9,528 0.177,529 4,530 1.819,531 1.517,532 0.896,533 0.771,534 0.421,535 0.267,536 0.305,537 18074,538 44760,539 2.047,540 50.7,541 2,542 11,543 1,544 2,545 3,547 11,548 4,550 1.745,551 1.904,552 3.833,553 0.862,559 103.15,560 1.54,561 3.65,562 4.688,563 4.98,564 5.062,565 5.062,566 3.268,567 4.453,568 5.016,569 4.082,570 2155.55,571 8.743,572 34998.8,577 406.428,578 1.591,579 4.958,580 0.25,581 0.007,582 0.077,583 0.04,584 0.035,585 0.023,586 0.02,587 0.011,588 0.009,589 0.011,590 0.482,591 0.33,592 1,593 1.33,594 180.572,595 -0.018,596 -0.197,597 0.059,598 -0.077,599 -0.055,600 -0.012,601 0.18,602 0.107,603 0.115,604 0.067,605 0.189,606 0.084,607 -0.2,608 -0.101,609 -0.256,610 -0.124,611 -0.155,612 -0.195,613 -0.005,614 -0.09,615 0.054,616 -0.009,617 0.011,618 0.025,619 0.049,620 0.098,621 0.028,622 0.081,623 0.047,624 0.059,625 -0.117,626 -0.036,627 -0.02,628 0.014,629 -0.123,630 0.01,631 0.02,632 0.017,633 0.034,634 0.04,635 -0.01,636 0.034,637 -0.186,638 -0.079,639 -0.318,640 -0.19,641 -0.217,642 -0.267,643 2.149,644 4.878,645 0.606,646 41.644,647 0.999,648 1.141,649 2.422,650 5.866,651 0.628,652 3.611,653 3.97,654 4.143,655 4.382,656 4.533,657 4.615,658 4.754,659 4.844,660 4.898,661 4.97,662 8.983,663 0.592,664 454.64,665 3.611,666 5.176,667 6.004,668 6.893,669 7.738,670 8.626,671 9.48,672 10.368,673 11.229,674 12.116,675 9,678 1,682 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 67,716 16,717 1,718 36,720 70,721 24,722 10,723 3,724 3,730 4,731 5,736 3,740 2,741 1,743 4,745 11,746 13,747 2,750 1,755 1,759 1,764 34,765 7,766 3,767 9,773 6,777 0.75,778 3,781 1,788 1,792 2,793 2,796 1,815 1,816 1,817 1,819 3,823 3,827 33,832 1,833 8,834 1,835 1,838 1,839 2,844 1,847 4.5,848 1,850 1,852 1,854 17.333,855 12.583,856 7,857 4.068,858 2.789,859 1.35,860 0.925,861 7.196,862 10.767,863 3.818,864 4.388,865 4.883,866 5.459,867 5.858,868 6.271,869 6.732,870 7.16,871 7.353,872 7.576,873 0.9,874 46,875 12.264,877 5.218,878 7.692,879 23.712,881 19.749,883 2.192,884 72.333,888 364.904,889 117.172,890 73.146,892 78.828,895 117.172,896 443.732,897 73.146,898 26.476,899 36.572,900 80.16,901 99.25,902 41.324,903 20.678,904 329.591,906 364.904,907 190.318,908 78.828,911 188.338,912 212.711,913 42.683,915 102.093,916 54.898,917 33.326,919 364.904,920 151.974,921 117.172,924 364.904,925 35.983,926 86.212,927 34.796,928 112.154,929 364.904,930 151.974,931 117.172,933 0.594,934 0.315,935 0.163,936 0.082,937 25,938 11,939 0.129,940 9,941 1,942 1.1,943 4.528,944 289.298,945 0.1,946 20,947 153.71,951 23.896,952 9.937,953 6.419,954 2.352,955 133.289,956 11.812,957 7.779,958 3.365,961 2.346,962 1.906,963 77.48,964 634.05,965 44.5,970 11.878,974 -0.482,975 66.963,976 76.431,977 0.254,978 0.602,979 0.773,980 0.821,981 0.834,982 0.834,983 5.092,984 1.776,985 6.047,986 5.725,987 4.654,988 5.075,989 2.351,990 6.889,991 4.558,992 6.311,993 1.336,994 7.634,995 4.655,996 4.511,997 4.997,998 1.847,999 8.155,1000 4.364,1001 7.639,1002 1.14,1003 9.33,1004 3.484,1005 6.365,1006 7.244,1007 3.504,1008 11.068,1009 6.173,1010 8.998,1011 1,1012 11.092,1013 2.58,1014 6.995,1015 7.984,1016 3.598,1017 13.089,1018 6.751,1019 10.389,1020 0.903,1021 12.895,1022 2.372,1023 8.385,1024 9.756,1025 4.907,1026 15.626,1027 8.104,1028 11.798,1029 0.695,1030 14.725,1031 2.112,1032 9.323,1033 10.882,1034 5.29,1035 17.901,1036 8.992,1037 13.223,1038 0.618,1039 16.573,1040 1.685,1041 10.557,1042 12.477,1043 6.387,1044 20.344,1045 10.19,1046 3.283,1047 0.584,1048 18.435,1049 1.416,1050 11.621,1051 13.796,1052 6.93,1053 22.71,1054 11.208,1055 3.127,1056 11.781,1057 20.308,1058 1.372,1059 12.802,1060 15.325,1061 7.902,1062 25.134,1063 12.351,1064 3.118,1065 10.431,1066 22.188,1067 4.518,1068 13.92,1069 16.739,1070 8.539,1071 27.537,1072 13.425,1073 2.753,1074 10.15,1075 24.074,1076 3.731,1077 15.084,1078 18.245,1079 9.436,1080 29.962,1081 14.55,1082 2.413,1083 8.884,1084 25.966,1085 3.296,1086 16.225,1087 19.705,1088 10.13,1089 32.383,1090 15.649,1091 2.153,1092 6.874,1093 27.861,1094 3.189,1095 17.385,1096 21.205,1097 10.981,1098 34.814,1099 16.77,1100 2.029,1101 6,1102 29.761,1103 2.812,1104 18.537,1105 22.687,1106 11.71,1107 37.247,1108 17.88,1109 17253,1110 27294,1111 23.633,1112 42.057,1113 54.94,1114 55.204,1115 54.477,1116 54.116,1117 54.128,1118 66.389,1119 6.705,1120 159.688,1121 51.582,1122 5.568,1123 5.763,1124 6.569,1125 5.3,1126 5.283,1127 7.518,1128 3.889,1129 18.446,1130 5.133,1131 17.991,1132 1.526,1133 1.533,1134 1.513,1135 1.503,1136 1.504,1137 1.844,1138 0.186,1139 4.436,1140 1.433,1141 4.154,1142 4.192,1143 4.113,1144 4.061,1145 7.435,1146 4.069,1147 3.91,1148 3.965,1149 3.805,1150 3.749,1151 6.446,1152 3.753,1153 3.828,1154 3.903,1155 3.786,1156 3.591,1157 5.135,1158 3.627,1159 3.735,1160 3.78,1161 3.625,1162 3.556,1163 4.927,1164 3.558,1165 3.571,1166 3.639,1167 3.432,1168 3.404,1169 4.57,1170 3.405,1171 3.404,1172 3.47,1173 3.286,1174 3.18,1175 4.304,1176 3.198,1177 3.272,1178 3.335,1179 3.168,1180 3.062,1181 4.247,1182 3.081,1183 3.111,1184 3.206,1185 2.96,1186 2.941,1187 4.033,1188 2.91,1189 0.127,1190 0.105,1191 0.194,1192 0.118,1193 0.091,1194 4.568,1195 0.125,1196 3.763,1197 0.061,1198 6.973,1199 0.327,1200 4.24,1201 0.087,1202 3.283,1203 4.518,1204 2.186,1205 11.781,1206 3.133,1207 1.961,1208 1.936,1209 2.067,1210 2.062,1211 1.426,1212 2.066,1213 1.86,1214 1.807,1215 2.027,1216 2.04,1217 1.277,1218 2.038,1219 1.699,1220 1.649,1221 1.946,1222 1.908,1223 1.121,1224 1.916,1225 1.668,1226 1.614,1227 1.877,1228 1.838,1229 1.116,1230 1.855,1231 1.425,1232 1.353,1233 1.622,1234 1.689,1235 0.829,1236 1.671,1237 1.372,1238 1.307,1239 1.537,1240 1.629,1241 0.825,1242 1.608,1243 1.241,1244 1.174,1245 1.513,1246 1.491,1247 0.672,1248 1.489,1249 1.153,1250 1.064,1251 1.464,1252 1.442,1253 0.578,1254 1.429,1255 4.29,1257 5.638,1258 3.045,1259 7.149,1260 5.283,1261 8.735,1262 7.286,1263 10.364,1265 5.477,1270 10.823,1271 6.13,1272 2.715,1273 5.261,1276 2.388,1277 -1.415,1280 39.648,1281 103.15,1282 244.557,1283 314.124,1284 333.634,1285 339.144,1286 339.144,1287 67.566,1288 7.978,1289 108.3,1290 108.3,1291 22,1292 12.652,1293 4.087,1294 3.248,1295 54.881,1296 182,1297 152,1298 0.145,1299 243.676,1300 415.51,1301 586.329,1302 37862,1304 23.476,1305 0.711,1306 0.596,1307 23.476,1308 19.674,1309 15.707,1310 0.436,1311 0.322,1312 11.392,1313 14.967,1314 11.025,1315 9.158,1316 15.707,1317 11.574,1318 15.473,1319 0.298,1320 0.191,1321 15.473,1322 9.938,1323 11.37,1324 0.183,1325 0.099,1326 11.37,1327 6.136,1328 9.42,1329 0.119,1330 0.054,1331 9.42,1332 4.282,1333 6.979,1334 0.076,1335 0.032,1336 6.979,1337 2.98,1338 0.239,1339 99.177,1340 0.206,1341 31.612,1342 0.369,1343 176,1344 480.867,1345 197.01,1346 461.191,1347 627.56,1348 430,1349 202,1350 468.993,1351 221.659,1352 472.074,1353 679.94,1354 440,1355 7.678} {0 CHEMBL115663,1 1.487,2 13.938,3 5.98,4 35.759,5 139.481,6 7.625,7 0.444,8 4.198,9 4.327,10 3.801,11 3.804,12 5.16,13 3.746,14 4.773,15 4.958,16 4.206,17 4.24,18 5.675,19 4.157,20 5.052,21 5.273,22 4.23,23 4.425,24 5.885,25 4.277,26 5.124,27 5.371,28 4.136,29 4.42,30 5.926,31 4.227,32 5.079,33 5.357,34 4.097,35 4.325,36 5.837,37 4.145,38 4.927,39 5.15,40 4.064,41 4.288,42 5.749,43 4.141,44 4.991,45 5.236,46 4.089,47 4.281,48 5.806,49 4.103,50 4.943,51 5.222,52 3.856,53 4.154,54 5.666,55 3.952,56 0.058,57 0.886,58 12.745,59 5.528,60 8.238,61 7.681,62 0.225,63 1.54,64 26.183,65 9.571,66 20.414,67 13.611,68 0.254,69 1.907,70 38.827,71 14.484,72 28.12,73 19.648,74 0.272,75 2.022,76 45.828,77 16.847,78 37.246,79 22.165,80 0.33,81 1.915,82 45.06,83 16.271,84 37.355,85 21.522,86 0.197,87 1.697,88 33.636,89 12.93,90 24.515,91 17.534,92 0.286,93 1.755,94 38.803,95 13.657,96 34.58,97 18.678,98 0.244,99 1.624,100 37.096,101 13.858,102 27.991,103 18.793,104 10,105 51,106 0.239,107 0.607,108 0.809,109 0.882,110 0.882,111 0.882,112 3.502,113 1.014,114 -5.34,115 -5.23,116 -4.89,119 42.6,121 4,124 1,125 3,127 1,134 1,135 1,140 7,141 3,142 2,149 1,150 1,157 1,169 12,172 5,174 1,176 5,178 16,182 2,186 5,189 17,193 4,197 3,199 10,203 5,206 1,208 4,211 6,215 4,220 4,222 9,226 4,231 2,233 10,237 3,240 1,242 2,244 8,254 1,256 10,259 1824,260 21.825,261 21.825,262 21.825,263 21.825,264 21.825,265 19.568,266 24.947,267 12.688,268 22.368,269 17.758,270 17.758,271 17.758,272 17.758,273 17.758,274 14.315,275 28.4,276 6.042,277 18.715,278 4.444,279 2.151,280 0.892,281 0.439,282 0.439,283 0.439,284 4.211,285 1,289 1,290 992,291 3.162,294 171.569,295 312.172,298 141.615,302 2.32,303 15.943,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 66.333,315 446,316 4.572,317 3.894,318 6.578,319 4.123,320 3.135,321 4.516,322 1.807,323 10.485,324 3.098,325 4.151,326 3.239,327 6.146,328 3.84,329 2.892,330 3.635,331 0.8,332 9.043,333 2.782,334 4.054,335 3.047,336 6.041,337 3.734,338 2.798,339 3.558,340 0.733,341 8.651,342 2.624,343 3.848,344 2.942,345 5.991,346 3.634,347 2.672,348 3.092,349 0.167,350 8.494,351 2.537,352 3.807,353 2.9,354 5.392,355 3.44,356 2.511,357 2.889,359 7.061,360 2.308,361 3.383,362 2.444,363 5.111,364 2.977,365 2.072,366 2.642,368 5.926,369 1.924,370 3.331,371 2.355,372 4.898,373 2.924,374 1.956,375 2.601,377 5.711,378 1.764,379 3.093,380 2.121,381 4.488,382 2.584,383 1.627,384 2.275,386 4.506,387 1.542,388 2.711,389 1.617,390 4.206,391 2.314,392 1.343,393 1.788,395 3.668,396 1.302,397 2.504,398 1.454,399 4.009,400 2.152,401 1.217,402 1.5,404 3.245,405 1.135,406 2.5,407 1.391,408 3.934,409 2.089,410 1.125,411 1.425,413 2.967,414 1.079,415 2.334,416 1.233,417 3.417,418 2.016,419 1.063,420 1.303,422 2.383,423 1,424 2.137,425 1.14,426 3.414,427 2,428 1,429 1.12,431 2.275,432 0.998,433 2.079,434 1,435 3.414,436 1.984,437 1,438 1.04,440 2.275,441 0.983,442 2.018,443 0.822,444 3.253,445 1.616,446 0.656,447 0.89,449 1.604,450 0.628,451 16.148,452 0.505,453 0.78,454 0.024,455 37.75,456 1.18,457 17,458 0.531,459 20.75,460 0.648,461 31.633,462 0.989,463 33.652,464 0.552,465 26.853,466 0.839,467 7.161,468 0.224,469 8.403,470 0.263,471 0.127,473 0.328,479 0.891,480 1.255,481 0.642,482 0.877,483 0.677,484 0.905,485 1.037,486 1.081,487 0.706,488 0.848,489 0.561,490 0.895,491 1.061,492 1.044,493 0.947,494 0.988,495 0.849,496 1.054,497 0.893,498 1.088,499 1.039,500 1.124,501 1.049,502 1.103,503 0.584,504 0.87,505 0.786,506 0.901,507 0.75,508 0.822,509 0.882,510 1.133,511 0.891,512 1.047,513 0.866,514 1.075,515 0.81,516 1.081,517 0.751,518 0.983,519 0.744,520 1.102,521 0.682,522 0.947,523 0.785,524 0.929,525 0.772,526 0.965,527 6.5,528 0.117,529 4.222,530 1.799,531 1.408,532 1.111,533 0.646,534 0.361,535 0.39,536 0.202,537 16492,538 38835,539 2.154,540 47.5,542 18,543 1,545 2,547 8,550 1.74,551 2.043,552 3.738,553 0.146,559 90.682,560 1.487,561 3.779,562 5.039,563 5.492,564 5.492,565 5.492,566 3.269,567 4.429,568 4.968,569 3.939,570 1953.74,571 8.667,572 29536.4,577 361.775,578 1.317,579 4.943,580 0.181,581 0.004,582 0.083,583 0.037,584 0.034,585 0.026,586 0.015,587 0.01,588 0.013,589 0.007,590 0.408,591 0.17,592 0.75,593 0.476,594 170.868,595 -0.011,596 -0.124,597 0.029,598 -0.011,599 -0.001,600 0.021,602 0.021,603 0.037,604 0.02,605 0.144,606 0.027,607 -0.13,608 -0.025,609 -0.079,610 -0.05,611 -0.008,612 -0.089,613 -0.077,614 -0.095,615 -0.091,616 -0.099,617 -0.097,618 -0.109,619 0.16,620 0.103,621 0.122,622 0.128,623 0.101,624 0.179,625 -0.071,626 -0.117,627 -0.08,628 -0.103,629 -0.09,630 -0.107,631 0.02,632 -0.09,633 0.029,634 -0.071,635 0.038,636 -0.138,637 0.076,638 -0.008,639 0.066,640 0.033,641 0.032,642 0.028,643 0.94,644 1.968,645 0.813,646 38.625,647 0.988,648 1.119,649 4.114,650 16.926,651 0.696,652 3.611,653 3.951,654 4.234,655 4.477,656 4.682,657 4.787,658 4.97,659 5.106,660 5.215,661 5.352,662 8.098,663 0.639,664 465.11,665 3.611,666 5.165,667 6.023,668 6.901,669 7.773,670 8.653,671 9.531,672 10.414,673 11.295,674 12.18,675 6.6,678 1,682 2,683 1,687 2,688 8,690 1,693 4,695 16,713 1,714 61,716 18,717 2,718 36,720 65,721 26,722 14,723 5,724 7,725 2,730 5,731 6,732 1,735 1,740 4,743 5,745 17,746 9,750 2,756 1,757 1,759 2,764 29,765 3,766 2,767 6,768 2,773 4,777 0.8,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 1,824 1,827 32,833 7,834 1,837 1,838 2,846 1,854 15.667,855 11.043,856 6.889,857 3.819,858 3.331,859 1.4,860 1.021,861 6.559,862 11.649,863 3.85,864 4.44,865 5.003,866 5.559,867 6.07,868 6.387,869 6.817,870 7.185,871 7.35,872 7.676,873 1,874 49,875 11.834,877 5.031,878 7.436,879 23.544,881 20.129,883 1.936,884 61.944,888 317.82,889 175.717,890 41.045,891 39.149,894 45.192,895 130.525,896 356.968,897 41.045,898 8.396,899 37.59,900 84.857,902 38.297,903 14.2,904 306.049,905 84.341,906 317.82,907 171.57,909 84.341,911 223.651,912 94.169,915 57.5,916 104.593,917 48.625,918 45.192,919 317.82,920 41.045,921 214.865,924 317.82,925 37.271,926 99.502,927 34.796,928 84.341,929 317.82,930 41.045,931 214.865,933 0.589,934 0.345,935 0.177,936 0.093,937 26,938 11,939 0.062,940 4,941 1,942 1.077,943 4.47,944 293.9,945 0.077,946 26,947 156,949 1,951 21.961,952 9.558,953 4.914,954 2.599,955 24.259,956 16.705,958 3.476,961 4.457,963 34.796,964 573.73,965 46,971 5.635,972 2.317,974 2.161,975 60.294,976 68.255,977 0.251,978 0.637,979 0.85,980 0.926,981 0.926,982 0.926,983 5.106,984 1.627,985 6.009,986 5.711,987 4.635,988 5.127,989 2.15,990 6.81,991 4.54,992 6.301,993 1.343,994 7.564,995 4.506,996 4.205,997 4.924,998 1.494,999 7.67,1000 4.021,1001 7.604,1002 1.217,1003 9.214,1004 3.668,1005 6.229,1006 7.297,1007 2.8,1008 10.745,1009 6.059,1010 8.941,1011 1.125,1012 10.919,1013 3.245,1014 6.621,1015 7.948,1016 2.741,1017 12.428,1018 6.384,1019 10.31,1020 1.063,1021 12.661,1022 2.967,1023 8.095,1024 9.8,1025 3.769,1026 14.999,1027 7.865,1028 11.7,1029 1,1030 14.426,1031 2.383,1032 8.858,1033 10.866,1034 4,1035 17.025,1036 8.583,1037 13.108,1038 1,1039 16.209,1040 2.275,1041 10.108,1042 12.506,1043 4.853,1044 19.423,1045 9.832,1046 3.135,1047 0.656,1048 18.005,1049 2.275,1050 11.047,1051 13.788,1052 5.239,1053 21.603,1054 10.742,1055 2.892,1056 10.485,1057 19.811,1058 1.604,1059 12.205,1060 15.339,1061 5.985,1062 23.941,1063 11.894,1064 2.798,1065 9.043,1066 21.625,1067 4.516,1068 13.227,1069 16.731,1070 6.458,1071 26.194,1072 12.899,1073 2.672,1074 8.651,1075 23.446,1076 3.635,1077 14.35,1078 18.248,1079 7.14,1080 28.515,1081 14.015,1082 2.511,1083 8.494,1084 25.272,1085 3.558,1086 15.415,1087 19.696,1088 7.662,1089 30.806,1090 15.069,1091 2.072,1092 7.061,1093 27.103,1094 3.092,1095 16.525,1096 21.201,1097 8.307,1098 33.127,1099 16.174,1100 1.956,1101 5.926,1102 28.938,1103 2.889,1104 17.613,1105 22.677,1106 8.858,1107 35.438,1108 17.254,1109 15213,1110 23572,1111 24.561,1112 42.427,1113 54.957,1114 56.168,1115 55.589,1116 54.459,1117 54.316,1118 68.763,1119 7.014,1120 156.993,1121 51.544,1122 5.514,1123 5.894,1124 6.097,1125 5.163,1126 5.135,1127 7.516,1128 3.186,1129 17.275,1130 5.098,1131 13.497,1132 1.527,1133 1.56,1134 1.544,1135 1.513,1136 1.509,1137 1.91,1138 0.195,1139 4.361,1140 1.432,1141 4.153,1142 4.186,1143 4.116,1144 4.078,1145 4.988,1146 4.081,1147 3.922,1148 3.957,1149 4.023,1150 3.852,1151 4.949,1152 3.843,1153 3.863,1154 3.924,1155 3.903,1156 3.74,1157 4.802,1158 3.736,1159 3.804,1160 3.854,1161 3.737,1162 3.674,1163 4.447,1164 3.67,1165 3.44,1166 3.487,1167 3.62,1168 3.363,1169 4.368,1170 3.326,1171 3.253,1172 3.302,1173 3.31,1174 3.191,1175 4.301,1176 3.14,1177 3.136,1178 3.249,1179 3.236,1180 2.928,1181 4.101,1182 2.919,1183 3.103,1184 3.187,1185 2.957,1186 2.899,1187 3.786,1188 2.877,1189 0.127,1190 0.108,1191 0.183,1192 0.115,1193 0.087,1194 4.572,1195 0.125,1196 3.894,1197 0.05,1198 6.578,1199 0.291,1200 4.123,1201 0.086,1202 3.135,1203 4.516,1204 1.807,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.089,1210 2.075,1211 1.346,1212 2.082,1213 1.883,1214 1.858,1215 1.971,1216 1.974,1217 1.287,1218 1.983,1219 1.759,1220 1.714,1221 1.93,1222 1.896,1223 1.144,1224 1.911,1225 1.684,1226 1.629,1227 1.866,1228 1.867,1229 1.066,1230 1.87,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.049,1236 1.795,1237 1.408,1238 1.336,1239 1.627,1240 1.63,1241 0.749,1242 1.636,1243 1.245,1244 1.219,1245 1.434,1246 1.398,1247 0.695,1248 1.414,1249 1.089,1250 1.007,1251 1.399,1252 1.307,1253 0.516,1254 1.355,1255 4.29,1257 5.624,1258 3.045,1259 7.14,1260 5.352,1261 8.733,1262 7.38,1263 10.368,1265 2.253,1266 5.976,1271 7.67,1272 3.321,1275 0.661,1276 4.714,1280 38.949,1281 90.682,1282 230.536,1283 307.369,1284 335.02,1285 335.02,1286 335.02,1287 42.22,1288 8.318,1289 34.3,1290 66.39,1291 28,1292 12.713,1293 4.248,1294 3.459,1295 45.997,1296 156,1297 166,1298 0.142,1299 243.499,1300 417.82,1301 585.897,1302 55100,1303 1.6,1304 22.079,1305 0.69,1306 0.624,1307 23.079,1308 19.976,1309 15.564,1310 0.432,1311 0.338,1312 11.346,1313 14.678,1314 10.987,1315 9.054,1316 16.141,1317 12.164,1318 14.252,1319 0.279,1320 0.191,1321 15.031,1322 9.741,1323 12.375,1324 0.182,1325 0.11,1326 13.018,1327 7.469,1328 10.031,1329 0.115,1330 0.061,1331 10.531,1332 5.299,1333 7.909,1334 0.074,1335 0.033,1336 8.359,1337 3.52,1338 0.229,1339 101.541,1340 0.202,1341 30.441,1342 0.372,1343 174,1344 387.02,1345 211.77,1346 441.342,1347 604.15,1348 414,1349 206,1350 418.389,1351 234.939,1352 448.719,1353 656.44,1354 423,1355 9.252} {0 CHEMBL115750,1 1.464,2 15.594,3 4.188,4 17.543,5 128.522,6 7.092,7 0.583,8 4.21,9 4.349,10 3.751,11 3.731,12 5.232,13 3.705,14 4.778,15 4.979,16 4.081,17 4.151,18 5.725,19 4.096,20 5.04,21 5.281,22 4.039,23 4.303,24 5.89,25 4.186,26 5.127,27 5.393,28 3.918,29 4.306,30 5.88,31 4.141,32 5.136,33 5.445,34 3.851,35 4.206,36 5.799,37 4.036,38 4.966,39 5.244,40 3.857,41 4.119,42 5.74,43 3.99,44 4.926,45 5.185,46 3.837,47 4.108,48 5.755,49 3.97,50 4.945,51 5.237,52 3.683,53 4.029,54 5.683,55 3.869,56 0.055,57 1.027,58 13.424,59 5.389,60 9.82,61 7.582,62 0.254,63 1.659,64 25.677,65 8.862,66 22.583,67 12.892,68 0.323,69 1.957,70 34.812,71 12.736,72 35.718,73 18.259,74 0.257,75 1.955,76 38.585,77 14.563,78 36.994,79 21.27,80 0.348,81 1.819,82 40.559,83 13.787,84 35.651,85 21.141,86 0.345,87 1.687,88 33.589,89 11.19,90 33.291,91 16.743,92 0.356,93 1.666,94 31.624,95 11.155,96 36.275,97 16.475,98 0.318,99 1.586,100 33.154,101 10.95,102 31.445,103 16.615,104 2,105 49,106 0.235,107 0.547,108 0.707,109 0.804,110 0.814,111 0.835,112 3.501,113 0.949,114 -5.51,115 -5.39,116 -5.03,119 41,121 3,125 6,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 4,176 3,178 11,181 1,182 4,186 3,189 9,193 8,197 1,199 3,203 10,206 1,211 2,215 6,218 1,222 1,226 6,229 2,233 1,236 1,237 6,244 2,249 1,252 1,256 4,259 1864,260 22.239,261 22.239,262 22.239,263 22.239,264 22.239,265 19.776,266 25.503,267 13.287,268 22.761,269 17.802,270 17.802,271 17.802,272 17.802,273 17.802,274 14.158,275 25.864,276 6.365,277 18.663,278 4.467,279 2.515,280 1.519,281 0.918,282 0.852,283 0.721,284 4.215,288 1,289 1,290 1116,291 3.082,294 172.948,295 330.454,298 147.546,302 2.52,303 18.859,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 68.5,315 499,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.005,327 6.095,328 3.69,329 2.753,330 3.731,331 0.8,332 8.884,333 2.591,334 4.015,335 2.931,336 5.515,337 3.64,338 2.688,339 3.615,341 7.454,342 2.577,343 3.66,344 2.882,345 5.397,346 3.538,347 2.587,348 2.813,350 7.117,351 2.427,352 3.441,353 2.644,354 5.145,355 3.167,356 2.24,357 2.736,359 6.361,360 2.077,361 3.414,362 2.456,363 5.104,364 3.023,365 2.058,366 2.625,368 5.994,369 1.98,370 3.251,371 2.181,372 4.874,373 2.957,374 2.006,375 2.587,377 5.651,378 1.883,379 3.17,380 1.795,381 4.514,382 2.73,383 1.776,384 2.19,386 4.655,387 1.69,388 2.742,389 1.373,390 4.134,391 2.317,392 1.331,393 1.847,395 3.482,396 1.31,397 2.5,398 1.177,399 3.484,400 2.1,401 1.135,402 1.5,404 2.562,405 1.093,406 2.429,407 1.146,408 3.414,409 2,410 1,411 1.404,413 2.275,414 1,415 2.265,416 1,417 3.414,418 1.967,419 1,420 1.209,422 2.275,423 0.965,424 2.118,425 0.999,426 3.325,427 1.87,428 0.905,429 1,431 2.112,432 0.871,433 2.011,434 0.912,435 3.228,436 1.731,437 0.763,438 0.927,440 1.774,441 0.735,442 2,443 0.665,444 3.147,445 1.543,446 0.618,447 0.882,449 1.412,450 0.558,451 15.186,452 0.475,453 0.602,454 0.019,455 39.5,456 1.234,457 18,458 0.563,459 21.5,460 0.672,461 28.179,462 0.881,463 34.614,464 0.567,465 27.255,466 0.852,467 7.799,468 0.244,469 7.944,470 0.248,471 0.019,473 0.277,477 1,479 0.688,480 1.305,481 0.802,482 1.145,483 0.495,484 1.016,485 0.958,486 1.003,487 0.98,488 0.956,489 0.55,490 0.956,491 0.934,492 0.963,493 1.081,494 1.061,495 0.777,496 1.086,497 0.642,498 1.019,499 1.026,500 1.186,501 0.613,502 1.172,503 0.494,504 0.774,505 0.789,506 0.878,507 0.322,508 0.874,509 0.873,510 0.871,511 0.94,512 0.902,513 0.722,514 0.921,515 0.72,516 0.984,517 1.031,518 1.128,519 0.745,520 1.129,521 0.755,522 0.893,523 0.986,524 0.997,525 0.623,526 1.015,527 5.5,528 0.107,529 3.333,530 0.882,531 1.188,532 0.819,533 0.403,534 0.305,535 0.233,536 0.158,537 18544,538 45724,539 2.194,540 47.5,541 2,542 19,543 1,544 2,545 1,547 4,550 1.736,551 2.133,552 3.89,553 -0.372,559 89.287,560 1.464,561 3.415,562 4.412,563 5.013,564 5.078,565 5.209,566 3.382,567 4.375,568 4.971,569 4.1,570 2033.43,571 8.645,572 32538.6,574 1,577 361.775,578 1.043,579 4.964,580 0.153,581 0.004,582 0.068,583 0.02,584 0.031,585 0.023,586 0.011,587 0.009,588 0.008,589 0.006,590 0.333,591 0.33,592 0.75,593 0.313,594 174.103,595 0.048,596 -0.18,597 0.079,598 -0.079,599 0.056,600 -0.013,601 -0.076,602 0.052,603 -0.045,604 0.033,605 0.052,606 0.008,607 -0.093,608 0.022,609 -0.132,610 -0.047,611 -0.002,612 -0.085,613 -0.006,614 -0.151,615 -0.087,616 -0.164,617 -0.002,618 -0.144,619 0.08,620 -0.024,621 0.176,622 0.087,623 0.076,624 0.135,625 -0.04,626 0.027,627 0.036,628 0.066,629 -0.018,630 0.065,631 0.08,632 -0.058,633 -0.073,634 -0.135,635 -0.018,636 -0.132,637 -0.01,638 -0.058,639 -0.012,640 -0.042,641 -0.023,642 -0.029,643 1.828,644 5.046,645 0.813,646 40.984,647 0.996,648 1.136,649 4.282,650 18.332,651 0.658,652 3.611,653 3.912,654 4.174,655 4.407,656 4.595,657 4.654,658 4.762,659 4.905,660 4.97,661 5.011,662 9.029,663 0.62,664 432.6,665 3.611,666 5.142,667 5.984,668 6.843,669 7.698,670 8.561,671 9.423,672 10.29,673 11.156,674 12.025,675 9.8,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 61,716 21,717 2,718 36,720 65,721 25,722 16,723 5,724 7,730 5,731 6,743 3,745 16,746 9,762 1,764 29,765 5,766 1,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 1,827 32,833 9,838 2,844 1,846 1,854 15,855 10.726,856 7,857 3.847,858 3.592,859 1.438,860 1.023,861 6.515,862 11.801,863 3.861,864 4.443,865 5.026,866 5.599,867 6.047,868 6.367,869 6.78,870 7.207,871 7.403,872 7.616,873 1,874 45,875 11.837,877 5.009,878 7.563,879 23.329,881 19.6,883 2.063,884 66,887 1,888 329.591,889 135.822,890 58.259,893 14.96,895 135.822,896 329.591,897 73.219,899 20.238,900 75.381,901 74.105,902 45.755,903 28.875,904 294.278,906 329.591,907 194.081,908 14.96,911 297.467,912 47.084,915 62.408,916 98.347,917 33.326,919 344.551,920 58.259,921 135.822,924 329.591,925 43.204,926 100.766,927 16.786,928 48.286,929 329.591,930 73.219,931 135.822,933 0.576,934 0.332,935 0.174,936 0.092,937 24,938 9,939 0.123,940 8,941 1,942 1.077,943 4.677,944 280.247,945 0.077,946 26,947 148,951 21.173,952 9.846,953 5.221,954 2.452,955 54.535,956 18.92,957 7.816,958 3.404,961 3.499,962 1.936,963 16.786,964 538.632,965 46.5,975 60.727,976 69.312,977 0.247,978 0.576,979 0.744,980 0.845,981 0.856,982 0.878,983 5.083,984 1.776,985 5.938,986 5.651,987 4.595,988 5.13,989 1.072,990 6.693,991 4.507,992 6.257,993 1.331,994 7.456,995 4.655,996 4.007,997 4.796,998 0.57,999 7.466,1000 3.853,1001 7.54,1002 1.135,1003 9.071,1004 3.482,1005 6.138,1006 7.305,1007 0.653,1008 10.535,1009 5.969,1010 8.86,1011 1,1012 10.745,1013 2.562,1014 6.415,1015 7.906,1016 0.479,1017 12.185,1018 6.193,1019 10.216,1020 1,1021 12.459,1022 2.275,1023 7.943,1024 9.815,1025 0.432,1026 14.745,1027 7.709,1028 11.598,1029 0.905,1030 14.201,1031 2.275,1032 8.628,1033 10.867,1034 0.346,1035 16.772,1036 8.357,1037 13,1038 0.763,1039 15.964,1040 2.112,1041 9.906,1042 12.53,1043 0.291,1044 19.168,1045 9.621,1046 3.118,1047 0.618,1048 17.744,1049 1.774,1050 10.797,1051 13.809,1052 0.237,1053 21.363,1054 10.488,1055 2.753,1056 10.431,1057 19.537,1058 1.412,1059 11.967,1060 15.369,1061 0.195,1062 23.708,1063 11.645,1064 2.688,1065 8.884,1066 21.342,1067 4.518,1068 12.965,1069 16.761,1070 0.158,1071 25.978,1072 12.626,1073 2.587,1074 7.454,1075 23.156,1076 3.731,1077 14.092,1078 18.279,1079 0.129,1080 28.309,1081 13.741,1082 2.24,1083 7.117,1084 24.979,1085 3.615,1086 15.145,1087 19.726,1088 0.104,1089 30.614,1090 14.782,1091 2.058,1092 6.361,1093 26.809,1094 2.813,1095 16.258,1096 21.231,1097 0.084,1098 32.945,1099 15.884,1100 2.006,1101 5.994,1102 28.646,1103 2.736,1104 17.341,1105 22.705,1106 0.068,1107 35.266,1108 16.956,1109 16917,1110 26741,1111 25.137,1112 40.108,1113 53.759,1114 53.441,1115 53.603,1116 53.341,1117 53.255,1118 68.81,1119 3.2,1120 147.929,1121 50.876,1122 5.568,1123 5.197,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 8.266,1132 1.493,1133 1.484,1134 1.489,1135 1.482,1136 1.479,1137 1.911,1138 0.089,1139 4.109,1140 1.413,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 8.201,1146 4.07,1147 3.948,1148 3.994,1149 3.878,1150 3.865,1151 5.135,1152 3.863,1153 3.841,1154 3.911,1155 3.789,1156 3.652,1157 4.927,1158 3.662,1159 3.814,1160 3.882,1161 3.719,1162 3.578,1163 4.642,1164 3.616,1165 3.541,1166 3.614,1167 3.4,1168 3.38,1169 4.374,1170 3.379,1171 3.356,1172 3.424,1173 3.236,1174 3.2,1175 4.256,1176 3.198,1177 3.246,1178 3.319,1179 3.111,1180 3.079,1181 4.001,1182 3.076,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.808,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.022,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.065,1210 2.064,1211 1.374,1212 2.067,1213 1.92,1214 1.889,1215 2.04,1216 2.044,1217 1.273,1218 2.043,1219 1.796,1220 1.729,1221 1.98,1222 1.974,1223 1.179,1224 1.981,1225 1.649,1226 1.59,1227 1.856,1228 1.826,1229 1.093,1230 1.84,1231 1.419,1232 1.347,1233 1.637,1234 1.672,1235 0.848,1236 1.655,1237 1.374,1238 1.309,1239 1.559,1240 1.586,1241 0.825,1242 1.59,1243 1.255,1244 1.184,1245 1.513,1246 1.456,1247 0.708,1248 1.478,1249 1.153,1250 1.064,1251 1.472,1252 1.442,1253 0.579,1254 1.429,1255 4.29,1257 5.595,1258 3.045,1259 7.081,1260 5.283,1261 8.648,1262 7.286,1263 10.26,1267 13.046,1271 9.832,1276 5.095,1280 37.833,1281 89.287,1282 208.336,1283 269.104,1284 305.775,1285 309.775,1286 317.775,1287 43.276,1288 8.209,1289 52.98,1290 52.98,1291 28,1292 12.57,1293 4.459,1294 3.524,1295 46.228,1296 177,1297 176,1298 0.124,1299 229.229,1300 383.97,1301 551.08,1302 53243,1303 1.6,1304 21.753,1305 0.68,1306 0.57,1307 20.882,1308 18.251,1309 15.742,1310 0.437,1311 0.316,1312 11.225,1313 15.106,1314 11.03,1315 9.074,1316 15.348,1317 11.387,1318 13.9,1319 0.284,1320 0.175,1321 13.278,1322 8.576,1323 11.941,1324 0.187,1325 0.101,1326 11.53,1327 6.483,1328 9.662,1329 0.119,1330 0.056,1331 9.52,1332 4.536,1333 7.624,1334 0.078,1335 0.033,1336 7.34,1337 3.196,1338 0.206,1339 98.574,1340 0.199,1341 31.031,1342 0.313,1343 170,1344 470.67,1345 185.016,1346 437.057,1347 602.06,1348 412,1349 198,1350 448.809,1351 213.927,1352 450.253,1353 651.88,1354 424,1355 8.824} {0 CHEMBL115941,1 1.542,2 13.848,3 4.719,4 22.272,5 133.946,6 7.276,7 0.432,8 4.253,9 4.364,10 3.939,11 3.831,12 5.205,13 3.776,14 4.85,15 5.025,16 4.27,17 4.265,18 5.923,19 4.19,20 5.098,21 5.294,22 4.325,23 4.455,24 6.042,25 4.329,26 5.241,27 5.461,28 4.203,29 4.451,30 6.253,31 4.309,32 5.197,33 5.461,34 4.107,35 4.357,36 6.075,37 4.212,38 5.037,39 5.271,40 4.116,41 4.31,42 5.935,43 4.163,44 5.028,45 5.269,46 4.012,47 4.249,48 5.917,49 4.094,50 4.979,51 5.225,52 3.883,53 4.107,54 5.934,55 3.969,56 0.091,57 0.948,58 17.281,59 6.558,60 15.366,61 8.385,62 0.431,63 1.597,64 29.75,65 11.028,66 54.216,67 14.503,68 0.251,69 1.99,70 43.066,71 16.095,72 38.213,73 20.253,74 0.459,75 2.108,76 48.705,77 17.565,78 84.76,79 22.526,80 0.458,81 1.977,82 44.529,83 16.18,84 67.937,85 22.292,86 0.448,87 1.804,88 36.344,89 14.09,90 48.986,91 19.503,92 0.253,93 1.785,94 40.062,95 14.22,96 42.819,97 18.873,98 0.479,99 1.568,100 36.75,101 12.519,102 65.846,103 16.472,104 18,105 54,106 0.245,107 0.584,108 0.8,109 0.869,110 0.869,111 0.869,112 3.532,113 1.057,114 -3.92,115 -3.87,116 -3.67,119 40.6,121 4,124 2,125 3,127 1,134 1,135 1,140 7,141 3,142 2,149 1,150 1,169 12,171 3,172 7,176 3,178 14,182 10,186 3,189 15,193 12,197 1,199 10,203 5,206 1,208 2,211 10,214 3,215 6,220 3,222 11,226 7,233 8,237 9,240 1,244 10,249 3,256 10,259 1909,260 22.383,261 22.383,262 22.383,263 22.383,264 22.383,265 20.068,266 24.22,267 12.771,268 22.931,269 18.156,270 18.156,271 18.156,272 18.156,273 18.156,274 14.483,275 25.557,276 5.924,277 18.955,278 4.458,279 2.319,280 0.956,281 0.524,282 0.524,283 0.524,284 4.237,289 1,290 1011,291 3.606,294 178.494,295 319.985,298 147.435,302 2.226,303 32.261,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70.5,315 457,316 4.932,317 4.726,318 7.666,319 4.435,320 3.512,321 4.759,322 0.86,323 13.611,324 3.218,325 4.571,326 3.24,327 6.578,328 4.12,329 3.133,330 4.515,331 0.8,332 10.484,333 3.094,334 4.107,335 3.056,336 6.115,337 3.797,338 2.829,339 3.554,340 0.657,341 8.955,342 2.755,343 3.898,344 2.922,345 6.022,346 3.676,347 2.704,348 3.443,350 8.562,351 2.607,352 3.817,353 2.814,354 5.604,355 3.462,356 2.508,357 2.892,359 7.086,360 2.389,361 3.362,362 2.488,363 5.258,364 3.017,365 2.067,366 2.619,368 6.236,369 1.968,370 3.258,371 2.135,372 5.111,373 2.903,374 1.937,375 2.471,377 5.916,378 1.852,379 3.084,380 1.734,381 4.513,382 2.576,383 1.597,384 2.28,386 4.522,387 1.558,388 2.739,389 1.508,390 4.243,391 2.32,392 1.348,393 1.813,395 3.75,396 1.308,397 2.606,398 1.454,399 4.134,400 2.214,401 1.258,402 1.561,404 3.479,405 1.198,406 2.5,407 1.37,408 3.957,409 2.111,410 1.137,411 1.5,413 3.032,414 1.104,415 2.337,416 1.232,417 3.417,418 2.053,419 1.074,420 1.312,422 2.383,423 1.049,424 2.138,425 1.141,426 3.414,427 2,428 1,429 1.12,431 2.275,432 1,433 2.079,434 1.016,435 3.414,436 1.984,437 1,438 1.04,440 2.275,441 0.983,442 2.02,443 1,444 3.257,445 1.619,446 0.658,447 0.892,449 1.606,450 0.631,451 16.033,452 0.486,453 0.892,454 0.027,455 40.25,456 1.22,457 19,458 0.576,459 21.25,460 0.644,461 31.481,462 0.954,463 36.167,464 0.565,465 31.656,466 0.959,467 7.582,468 0.23,469 8.37,470 0.254,471 0.104,472 0.052,473 0.299,479 0.621,480 1.39,481 0.851,482 1.239,483 0.64,484 1.015,485 0.927,486 0.967,487 0.864,488 0.831,489 0.568,490 0.866,491 0.908,492 1.153,493 1.248,494 1.242,495 0.731,496 1.103,497 1.283,498 1.095,499 1.199,500 1.14,501 1.596,502 1.123,503 0.872,504 0.866,505 0.741,506 0.807,507 1.207,508 0.876,509 0.408,510 1.086,511 0.817,512 0.987,513 0.397,514 1.057,515 0.779,516 1.151,517 1.163,518 1.199,519 0.616,520 1.114,521 1.47,522 0.858,523 0.997,524 0.848,525 1.548,526 0.936,527 7.5,528 0.237,529 5.333,530 2.549,531 1.408,532 1.333,533 0.849,534 0.486,535 0.329,536 0.268,537 17057,538 39403,539 2.123,540 48.4,542 21,543 1,545 1,547 8,550 1.749,551 1.99,552 3.716,553 -0.382,559 98.699,560 1.542,561 3.681,562 5.044,563 5.476,564 5.476,565 5.476,566 3.242,567 4.681,568 5.013,569 3.915,570 2067.13,571 8.762,572 31352.1,577 384,578 1.521,579 4.972,580 0.203,581 0.008,582 0.099,583 0.046,584 0.029,585 0.03,586 0.019,587 0.012,588 0.01,589 0.008,590 0.465,591 0.33,592 0.75,593 0.675,594 176.817,595 0.11,596 -0.181,597 0.213,598 -0.08,599 -0.106,600 0.018,601 0.111,602 0.166,603 0.09,604 0.159,605 0.228,606 0.1,607 -0.063,608 -0.069,609 -0.106,610 -0.111,611 0.064,612 -0.083,613 -0.154,614 -0.113,615 -0.175,616 -0.122,617 -0.111,618 -0.137,619 -0.001,620 0.06,621 0.112,622 0.098,623 -0.095,624 0.109,625 0.249,626 -0.081,627 0.051,628 -0.035,629 0.125,630 -0.058,631 -0.027,632 -0.12,633 -0.105,634 -0.159,635 0.073,636 -0.114,637 -0.172,638 0.092,639 -0.048,640 0.074,641 -0.132,642 0.014,643 4.437,644 6.054,645 0.788,646 37.522,647 0.996,648 1.123,649 2.685,650 7.211,651 0.667,652 3.638,653 4.007,654 4.317,655 4.543,656 4.736,657 4.898,658 5.088,659 5.165,660 5.268,661 5.451,662 7.966,663 0.621,664 465.67,665 3.638,666 5.209,667 6.084,668 6.978,669 7.867,670 8.764,671 9.657,672 10.557,673 11.453,674 12.354,675 4.7,678 2,683 1,687 2,688 8,690 1,693 4,695 16,712 1,714 64,716 19,717 2,718 37,720 68,721 26,722 14,723 5,724 7,725 2,730 5,731 6,740 4,743 5,745 16,746 10,750 3,753 1,755 2,757 1,759 1,764 31,765 5,766 1,767 7,768 1,773 3,777 0.8,778 3,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 2,827 33,830 1,833 7,835 1,837 1,838 2,847 4.7,850 2,852 1,854 16.583,855 11.9,856 7.111,857 3.906,858 3.374,859 1.402,860 1.014,861 6.256,862 11.773,863 3.892,864 4.53,865 5.105,866 5.639,867 6.144,868 6.531,869 6.948,870 7.226,871 7.432,872 7.821,873 1,874 55,875 12.505,877 5.63,878 7.634,879 24.163,881 20.944,883 2.134,884 70.417,888 353.133,889 147.467,890 21.428,892 55.313,894 5.807,895 141.66,896 408.446,897 21.428,898 19.279,899 16.455,900 90.665,901 44.313,902 51.352,903 13.915,904 341.362,906 353.133,907 163.088,908 55.313,909 5.807,911 258.964,912 149.482,915 37.884,916 115.729,917 15.284,919 353.133,920 76.741,921 147.467,923 5.807,924 353.133,925 37.523,926 108.78,927 16.786,928 55.313,929 353.133,930 76.741,931 147.467,933 0.595,934 0.36,935 0.18,936 0.089,937 28,938 12,939 0.088,940 6,941 1,942 1.077,943 4.434,944 313.396,945 0.077,946 26,947 160.465,950 1,951 22.516,952 9.169,953 4.442,954 2.441,955 59.956,956 15.301,958 3.426,961 3.5,963 16.786,964 577.342,965 48,968 -3.52,970 26.107,972 2.058,974 1.211,975 63.734,976 71.856,977 0.257,978 0.613,979 0.841,980 0.913,981 0.913,982 0.913,983 5.165,984 1.597,985 6.107,986 5.916,987 4.691,988 5.218,989 1.459,990 6.984,991 4.611,992 6.399,993 1.348,994 7.719,995 4.522,996 4.443,997 5.286,998 0.325,999 8.204,1000 4.285,1001 7.753,1002 1.258,1003 9.445,1004 3.75,1005 6.392,1006 7.537,1007 1.074,1008 11.278,1009 6.218,1010 9.153,1011 1.137,1012 11.244,1013 3.479,1014 6.995,1015 8.469,1016 0.268,1017 13.373,1018 6.728,1019 10.592,1020 1.074,1021 13.093,1022 3.032,1023 8.44,1024 10.245,1025 0.807,1026 16.062,1027 8.15,1028 12.06,1029 1,1030 14.978,1031 2.383,1032 9.398,1033 11.53,1034 0.188,1035 18.478,1036 9.013,1037 13.549,1038 1,1039 16.89,1040 2.275,1041 10.677,1042 13.149,1043 0.608,1044 21.084,1045 10.25,1046 3.512,1047 0.658,1048 18.825,1049 2.275,1050 11.786,1051 14.582,1052 0.125,1053 23.616,1054 11.267,1055 3.133,1056 13.611,1057 20.778,1058 1.606,1059 13.015,1060 16.147,1061 0.458,1062 26.211,1063 12.437,1064 2.829,1065 10.484,1066 22.745,1067 4.759,1068 14.19,1069 17.641,1070 0.082,1071 28.787,1072 13.522,1073 2.704,1074 8.955,1075 24.724,1076 4.515,1077 15.411,1078 19.189,1079 0.343,1080 31.386,1081 14.67,1082 2.508,1083 8.562,1084 26.713,1085 3.554,1086 16.616,1087 20.711,1088 0.054,1089 33.98,1090 15.787,1091 2.067,1092 7.086,1093 28.71,1094 3.443,1095 17.84,1096 22.254,1097 0.256,1098 36.583,1099 16.931,1100 1.937,1101 6.236,1102 30.715,1103 2.892,1104 19.062,1105 23.788,1106 0.035,1107 39.185,1108 18.063,1109 15861,1110 24359,1111 24.849,1112 42.688,1113 56.686,1114 57.642,1115 58.069,1116 56.482,1117 56.495,1118 72.634,1119 4.635,1120 169.82,1121 54.258,1122 5.87,1123 6.726,1124 7.216,1125 5.491,1126 5.512,1127 7.759,1128 1.72,1129 21.574,1130 5.218,1131 15.576,1132 1.532,1133 1.558,1134 1.569,1135 1.527,1136 1.527,1137 1.963,1138 0.125,1139 4.59,1140 1.466,1141 4.167,1142 4.193,1143 4.743,1144 4.109,1145 7.715,1146 4.089,1147 4.073,1148 4.062,1149 4.103,1150 4.037,1151 6.999,1152 3.973,1153 3.86,1154 3.923,1155 3.754,1156 3.731,1157 4.967,1158 3.728,1159 3.788,1160 3.831,1161 3.719,1162 3.664,1163 4.847,1164 3.662,1165 3.581,1166 3.566,1167 3.64,1168 3.495,1169 4.473,1170 3.44,1171 3.343,1172 3.387,1173 3.242,1174 3.231,1175 4.372,1176 3.211,1177 3.185,1178 3.254,1179 3.002,1180 2.94,1181 4.325,1182 2.938,1183 3.136,1184 3.247,1185 2.951,1186 2.901,1187 4.128,1188 2.887,1189 0.133,1190 0.128,1191 0.207,1192 0.12,1193 0.095,1194 4.932,1195 0.129,1196 4.726,1197 0.023,1198 7.666,1199 0.368,1200 4.435,1201 0.087,1202 3.512,1203 4.759,1204 0.86,1205 13.611,1206 3.218,1207 2.01,1208 2.002,1209 2.088,1210 2.093,1211 1.362,1212 2.117,1213 1.944,1214 1.942,1215 1.974,1216 2.013,1217 1.303,1218 2.031,1219 1.749,1220 1.709,1221 1.925,1222 1.89,1223 1.169,1224 1.903,1225 1.684,1226 1.632,1227 1.86,1228 1.864,1229 1.117,1230 1.867,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.043,1236 1.795,1237 1.413,1238 1.411,1239 1.627,1240 1.635,1241 0.75,1242 1.641,1243 1.37,1244 1.332,1245 1.568,1246 1.561,1247 0.704,1248 1.587,1249 1.148,1250 1.072,1251 1.434,1252 1.405,1253 0.609,1254 1.445,1255 4.317,1257 5.673,1258 3.045,1259 7.223,1260 5.352,1261 8.854,1262 7.38,1263 10.527,1265 3.79,1271 6.337,1273 5.143,1275 0.61,1276 4.013,1280 39.771,1281 98.699,1282 235.581,1283 322.839,1284 350.49,1285 350.49,1286 350.49,1287 60.374,1288 8.399,1289 65.64,1290 74.02,1291 28,1292 12.876,1293 4.322,1294 3.585,1295 48.087,1296 159,1297 172,1298 0.147,1299 243.288,1300 420.62,1301 585.382,1302 58883,1304 23.001,1305 0.697,1306 0.608,1307 23.251,1308 20.067,1309 15.952,1310 0.431,1311 0.352,1312 11.571,1313 14.631,1314 11.126,1315 9.19,1316 16.741,1317 13.034,1318 14.797,1319 0.274,1320 0.204,1321 16.116,1322 11.011,1323 13.214,1324 0.179,1325 0.122,1326 14.555,1327 9.014,1328 10.545,1329 0.113,1330 0.069,1331 11.622,1332 6.446,1333 7.962,1334 0.07,1335 0.039,1336 8.852,1337 4.377,1338 0.236,1339 107.379,1340 0.201,1341 30.984,1342 0.39,1343 182,1344 469.69,1345 235.29,1346 474.526,1347 656.03,1348 442,1349 219,1350 459.664,1351 280.662,1352 507.202,1353 743.4,1354 475,1355 9.119} {0 CHEMBL1159649,1 1.534,2 13.387,3 3.526,4 12.432,5 120.854,6 7.36,7 0.457,8 4.148,9 4.268,10 3.709,11 3.711,12 5.214,13 3.689,14 4.718,15 4.883,16 4.09,17 4.144,18 5.776,19 4.1,20 5.002,21 5.203,22 4.168,23 4.314,24 6.015,25 4.233,26 5.084,27 5.305,28 4.079,29 4.316,30 6.062,31 4.203,32 5.106,33 5.373,34 3.903,35 4.229,36 5.915,37 4.079,38 5.006,39 5.276,40 3.851,41 4.088,42 5.852,43 3.963,44 4.882,45 5.13,46 3.773,47 3.999,48 5.872,49 3.885,50 4.8,51 5.062,52 3.545,53 3.924,54 5.687,55 3.767,56 0.033,57 0.887,58 11.83,59 5.418,60 9.606,61 6.947,62 0.212,63 1.472,64 22.979,65 9.449,66 29.843,67 12.318,68 0.343,69 1.885,70 32.472,71 12.973,72 47.216,73 17.115,74 0.343,75 1.99,76 36.037,77 14.235,78 55.081,79 18.997,80 0.33,81 1.872,82 38.763,83 14.405,84 53.135,85 20.334,86 0.398,87 1.679,88 35.642,89 12.245,90 53.784,91 17.317,92 0.547,93 1.565,94 31.369,95 10.847,96 70.88,97 14.627,98 0.407,99 1.451,100 28.901,101 10.554,102 56.272,103 14.461,104 11,105 50,106 0.249,107 0.632,108 0.836,109 0.903,110 0.903,111 0.903,112 3.471,113 0.927,114 -4.25,115 -4.19,116 -3.96,119 43.9,121 3,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 14,172 7,173 1,174 1,176 3,178 16,180 1,182 5,186 5,189 12,191 2,192 1,193 6,197 5,199 10,201 2,203 6,208 2,211 5,213 2,215 6,218 1,222 5,225 1,226 4,228 1,229 1,231 1,233 6,235 1,237 2,242 1,244 10,248 1,249 1,251 1,252 1,256 9,259 1545,260 21.223,261 21.223,262 21.223,263 21.223,264 21.223,265 18.956,266 21.562,267 12.308,268 21.551,269 17.259,270 17.259,271 17.259,272 17.259,273 17.259,274 13.777,275 22.352,276 5.787,277 17.801,278 4.299,279 1.945,280 0.693,281 0.281,282 0.281,283 0.281,284 4.183,288 1,289 1,290 925,291 3.162,294 69.606,295 344.706,298 131.253,299 141.692,302 2.052,303 31.309,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 415,316 4.646,317 3.522,318 6.799,319 4.188,320 3.205,321 4.6,322 1.151,323 11.189,324 3.15,325 4.384,326 3.369,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 4.007,335 3.323,336 6.017,337 3.659,338 2.687,339 3.435,340 0.916,341 8.484,342 2.635,343 3.931,344 3.013,345 5.903,346 3.623,347 2.632,348 3.265,349 0.172,350 8.139,351 2.573,352 3.522,353 2.721,354 5.37,355 3.315,356 2.377,357 2.719,359 6.968,360 2.222,361 3.255,362 2.472,363 5.147,364 2.974,365 2.003,366 2.364,368 6.016,369 1.935,370 3.115,371 2.188,372 5.001,373 2.78,374 1.821,375 2.32,377 5.468,378 1.734,379 3.047,380 1.979,381 4.191,382 2.53,383 1.569,384 2.196,386 3.823,387 1.507,388 2.881,389 1.792,390 4.118,391 2.521,392 1.548,393 1.966,395 3.673,396 1.498,397 2.609,398 1.549,399 4.046,400 2.184,401 1.182,402 1.597,404 3.088,405 1.171,406 2.563,407 1.423,408 3.783,409 2.099,410 1.127,411 1.549,413 2.829,414 1.089,415 2.239,416 1.265,417 3.446,418 1.984,419 1,420 1.191,422 2.382,423 0.983,424 2.202,425 1.136,426 3.414,427 1.973,428 1,429 1.091,431 2.275,432 0.967,433 2.055,434 0.963,435 3.299,436 1.721,437 0.786,438 1.021,440 1.845,441 0.728,442 1.66,443 0.756,444 3.144,445 1.508,446 0.544,447 0.597,449 1.323,450 0.521,451 14.652,452 0.473,453 0.747,454 0.024,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 28.506,462 0.92,463 33.348,464 0.585,465 27.68,466 0.893,467 7.343,468 0.237,469 7.754,470 0.25,471 0.07,473 0.369,477 1,479 0.707,480 1.062,481 0.78,482 1.004,483 0.594,484 0.916,485 0.863,486 0.972,487 0.898,488 0.968,489 0.516,490 0.941,491 0.917,492 0.981,493 0.984,494 1.041,495 0.751,496 1.033,497 0.902,498 1.12,499 1.097,500 1.189,501 0.847,502 1.186,503 0.694,504 0.953,505 0.958,506 1.064,507 0.614,508 1.061,509 0.856,510 0.862,511 0.932,512 0.93,513 0.664,514 0.939,515 1.129,516 0.962,517 1.104,518 0.958,519 1.125,520 1.012,521 0.972,522 0.938,523 1.145,524 1.051,525 1.05,526 1.117,527 5.5,528 0.144,529 4.222,530 1.91,531 1.712,532 0.966,533 0.573,534 0.346,535 0.232,536 0.218,537 15172,538 39685,539 2.16,540 45.6,542 16,543 1,545 3,547 4,548 2,550 1.73,551 2.044,552 3.675,553 0.812,555 1,559 87.412,560 1.534,561 3.888,562 5.14,563 5.552,564 5.552,565 5.552,566 3.127,567 4.632,568 4.928,569 3.884,570 1806.04,571 8.568,572 26673.7,574 1,577 332.475,578 1.332,579 4.896,580 0.157,581 0.006,582 0.084,583 0.037,584 0.038,585 0.026,586 0.016,587 0.011,588 0.009,589 0.009,590 0.394,591 0.17,592 0.88,593 0.646,594 163.829,595 -0.047,596 -0.003,597 0.044,598 0.038,599 -0.043,600 0.058,601 -0.041,602 0.027,603 -0.007,604 0.042,605 0.07,606 0.028,607 -0.032,608 -0.007,609 -0.051,610 -0.031,611 0.025,612 -0.044,613 -0.038,614 -0.153,615 -0.15,616 -0.184,617 -0.024,618 -0.19,619 0.001,620 -0.109,621 0.009,622 -0.084,623 -0.009,624 -0.045,625 -0.022,626 -0.035,627 0.063,628 0.015,629 -0.007,630 0.047,631 -0.018,632 0.019,633 -0.089,634 0.004,635 -0.054,636 -0.043,637 -0.05,638 0.042,639 -0.151,640 -0.065,641 -0.103,642 -0.116,643 2.056,644 5.979,645 0.806,646 31.888,647 1.001,648 1.127,649 3.023,650 9.142,651 0.667,652 3.584,653 3.932,654 4.248,655 4.522,656 4.762,657 4.86,658 4.99,659 5.069,660 5.153,661 5.198,662 7.905,663 0.635,664 419.54,665 3.584,666 5.142,667 6.014,668 6.903,669 7.789,670 8.682,671 9.572,672 10.467,673 11.36,674 12.255,675 5.3,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,713 1,714 57,716 18,717 2,718 35,720 61,721 25,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 26,765 5,766 3,767 6,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 3.5,850 1,851 1,854 15.167,855 10.01,856 6.694,857 3.537,858 3.59,859 1.427,860 1.035,861 5.554,862 11.991,863 3.829,864 4.44,865 5.057,866 5.645,867 6.148,868 6.461,869 6.793,870 7.042,871 7.088,872 7.246,873 0.889,874 52,875 11.536,877 5.071,878 7.753,879 22.315,881 19.224,883 2.253,884 69.833,887 1,888 270.735,889 128.365,890 52.807,892 36.145,893 14.96,895 128.365,896 306.88,897 67.767,899 51.41,900 75.381,901 40.849,902 47.532,903 28.875,904 258.964,906 270.735,907 181.172,908 51.105,911 215.069,912 95.772,913 11,915 71.32,916 100.376,917 9.476,919 285.695,920 88.952,921 128.365,924 270.735,925 52.984,926 78.505,927 16.786,928 84.002,929 270.735,930 103.912,931 128.365,933 0.589,934 0.353,935 0.19,936 0.103,937 26,938 11,939 0.082,940 5,941 2,942 1.16,943 4.34,944 284.937,945 0.16,946 25,947 151.58,951 20.289,952 8.486,953 4.001,954 1.524,955 87.126,956 12.833,958 3.079,961 3.789,963 49.683,964 503.012,965 45,970 11.46,972 2.256,974 0.881,975 57.076,976 64.236,977 0.263,978 0.667,979 0.881,980 0.952,981 0.952,982 0.952,983 5.088,984 1.569,985 6.004,986 5.468,987 4.615,988 5.127,989 1.956,990 6.838,991 4.559,992 6.293,993 1.548,994 7.578,995 3.823,996 4.205,997 4.977,998 0.325,999 7.791,1000 4.131,1001 7.61,1002 1.182,1003 9.253,1004 3.673,1005 6.232,1006 7.348,1007 1.989,1008 10.899,1009 6.137,1010 8.963,1011 1.127,1012 10.988,1013 3.088,1014 6.661,1015 8.08,1016 0.393,1017 12.694,1018 6.554,1019 10.352,1020 1,1021 12.761,1022 2.829,1023 8.144,1024 9.922,1025 2.094,1026 15.317,1027 8.019,1028 11.766,1029 1,1030 14.561,1031 2.382,1032 8.953,1033 11.064,1034 0.384,1035 17.45,1036 8.818,1037 13.2,1038 0.786,1039 16.38,1040 2.275,1041 10.221,1042 12.7,1043 2.241,1044 19.915,1045 10.07,1046 3.205,1047 0.544,1048 18.213,1049 1.845,1050 11.207,1051 14.035,1052 0.351,1053 22.193,1054 11.045,1055 3.077,1056 11.189,1057 20.057,1058 1.323,1059 12.39,1060 15.589,1061 2.418,1062 24.606,1063 12.213,1064 2.687,1065 10.291,1066 21.91,1067 4.6,1068 13.458,1069 17.017,1070 0.312,1071 26.946,1072 13.269,1073 2.632,1074 8.484,1075 23.77,1076 4.006,1077 14.611,1078 18.541,1079 2.619,1080 29.344,1081 14.406,1082 2.377,1083 8.139,1084 25.636,1085 3.435,1086 15.717,1087 20.013,1088 0.273,1089 31.713,1090 15.5,1091 2.003,1092 6.968,1093 27.508,1094 3.265,1095 16.861,1096 21.527,1097 2.839,1098 34.108,1099 16.628,1100 1.821,1101 6.016,1102 29.383,1103 2.719,1104 17.987,1105 23.022,1106 0.236,1107 36.492,1108 17.74,1109 13961,1110 22694,1111 23.868,1112 38,1113 53.664,1114 54.413,1115 54.701,1116 53.186,1117 53.118,1118 67.836,1119 6.439,1120 155.589,1121 51.498,1122 5.611,1123 5.522,1124 6.335,1125 5.272,1126 5.205,1127 7.6,1128 2.302,1129 18.519,1130 5.15,1131 13.395,1132 1.533,1133 1.555,1134 1.563,1135 1.52,1136 1.518,1137 1.938,1138 0.184,1139 4.445,1140 1.471,1141 4.147,1142 4.179,1143 4.112,1144 4.063,1145 8.201,1146 4.071,1147 4.014,1148 4.037,1149 3.959,1150 3.943,1151 7.437,1152 3.943,1153 3.815,1154 3.872,1155 3.719,1156 3.683,1157 4.927,1158 3.684,1159 3.582,1160 3.617,1161 3.496,1162 3.425,1163 4.899,1164 3.431,1165 3.43,1166 3.488,1167 3.329,1168 3.275,1169 4.747,1170 3.279,1171 3.332,1172 3.405,1173 3.182,1174 3.184,1175 4.429,1176 3.174,1177 3.223,1178 3.288,1179 3.099,1180 2.988,1181 4.376,1182 3.008,1183 3.044,1184 3.132,1185 2.938,1186 2.879,1187 4.249,1188 2.862,1189 0.133,1190 0.101,1191 0.194,1192 0.12,1193 0.092,1194 4.646,1195 0.131,1196 3.522,1197 0.033,1198 6.799,1199 0.32,1200 4.188,1201 0.09,1202 3.205,1203 4.6,1204 1.151,1205 11.189,1206 3.15,1207 1.987,1208 1.966,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.951,1214 1.93,1215 2.047,1216 2.037,1217 1.303,1218 2.041,1219 1.817,1220 1.771,1221 1.958,1222 1.974,1223 1.127,1224 1.971,1225 1.562,1226 1.518,1227 1.757,1228 1.752,1229 1.037,1230 1.75,1231 1.439,1232 1.384,1233 1.663,1234 1.666,1235 0.859,1236 1.659,1237 1.344,1238 1.275,1239 1.568,1240 1.549,1241 0.702,1242 1.574,1243 1.137,1244 1.082,1245 1.43,1246 1.436,1247 0.668,1248 1.425,1249 1.082,1250 1,1251 1.36,1252 1.298,1253 0.456,1254 1.348,1255 4.263,1257 5.602,1258 2.398,1259 7.143,1260 4.727,1261 8.774,1262 6.862,1263 10.451,1267 13.979,1269 5.419,1271 6.104,1273 6.037,1275 0.049,1276 2.425,1280 36.199,1281 87.412,1282 221.607,1283 292.965,1284 316.475,1285 316.475,1286 316.475,1287 53.77,1288 8.402,1289 71.35,1290 71.35,1291 29,1292 12.781,1293 4.248,1294 3.459,1295 44.027,1296 151,1297 127,1298 0.142,1299 216.839,1300 379.45,1301 520.847,1302 62535,1303 1.8,1304 21.372,1305 0.689,1306 0.56,1307 20.501,1308 17.365,1309 15.097,1310 0.431,1311 0.309,1312 10.681,1313 14.572,1314 10.496,1315 8.571,1316 14.687,1317 10.815,1318 13.767,1319 0.275,1320 0.166,1321 13.24,1322 8.321,1323 12.084,1324 0.175,1325 0.094,1326 11.611,1327 6.476,1328 10.191,1329 0.112,1330 0.052,1331 9.816,1332 4.771,1333 8.338,1334 0.072,1335 0.03,1336 8.137,1337 3.444,1338 0.23,1339 94.291,1340 0.205,1341 29.574,1342 0.371,1343 170,1344 492.872,1345 184.417,1346 451.638,1347 614.54,1348 424,1349 204,1350 445.445,1351 218.4,1352 446.682,1353 661.15,1354 423,1355 7.602} {0 CHEMBL115989,1 1.43,2 14.161,3 2.369,4 5.611,5 126.463,6 6.502,7 0.429,8 4.266,9 4.411,10 3.732,11 3.751,12 5.201,13 3.713,14 4.852,15 5.067,16 4.052,17 4.172,18 5.685,19 4.1,20 5.13,21 5.369,22 4.046,23 4.34,24 5.934,25 4.21,26 5.283,27 5.573,28 4.01,29 4.377,30 6.008,31 4.215,32 5.242,33 5.53,34 3.895,35 4.322,36 5.942,37 4.142,38 5.198,39 5.505,40 3.884,41 4.241,42 5.868,43 4.07,44 5.084,45 5.37,46 3.798,47 4.156,48 5.817,49 3.995,50 5.006,51 5.308,52 3.596,53 4.049,54 5.676,55 3.862,56 0.099,57 1.013,58 16.045,59 5.807,60 13.345,61 8.763,62 0.296,63 1.61,64 29.549,65 9.552,66 19.308,67 14.902,68 0.389,69 1.896,70 39.068,71 13.427,72 35.973,73 20.348,74 0.465,75 2.025,76 45.681,77 15.158,78 44.378,79 23.532,80 0.439,81 1.928,82 43.775,83 14.851,84 40.219,85 22.754,86 0.382,87 1.792,88 41.891,89 13.91,90 34.914,91 21.623,92 0.425,93 1.664,94 37.64,95 11.965,96 38.298,97 18.715,98 0.362,99 1.51,100 34.693,101 10.948,102 30.279,103 17.437,104 5,105 50,106 0.228,107 0.54,108 0.735,109 0.824,110 0.838,111 0.838,112 3.471,113 1,114 -4.41,115 -4.34,116 -4.09,119 36.9,121 6,122 1,124 1,125 5,129 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 8,171 2,172 6,176 5,178 6,182 7,184 1,186 3,189 5,193 6,195 1,197 1,199 5,202 1,203 6,206 1,208 1,211 6,215 4,218 1,220 3,222 7,226 5,229 2,231 1,233 2,236 1,237 6,242 3,244 2,249 1,254 1,256 3,259 1643,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 19.483,266 26.043,267 12.371,268 21.645,269 17.297,270 17.297,271 17.297,272 17.297,273 17.297,274 14.759,275 30.449,276 5.894,277 18.087,278 4.593,279 2.641,280 1.426,281 0.866,282 0.781,283 0.781,284 4.172,288 1,289 1,290 986,291 3.808,292 68.777,294 167.707,295 202.152,298 142.958,302 2.177,303 18.662,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 66,315 439,316 4.568,317 3.524,318 6.995,319 4.257,320 3.301,321 4.518,322 0.8,323 11.901,324 3.147,325 4.301,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,331 0.8,332 10.431,333 3.062,334 4.129,335 2.886,336 6.095,337 3.692,338 2.753,339 3.301,341 8.884,342 2.67,343 3.706,344 2.828,345 5.587,346 3.689,347 2.706,348 2.812,350 7.676,351 2.577,352 3.459,353 2.727,354 5.313,355 3.337,356 2.415,357 2.706,359 6.882,360 2.225,361 3.382,362 2.296,363 5.126,364 3.014,365 2.04,366 2.593,368 6.001,369 1.985,370 3.246,371 2.183,372 4.828,373 2.929,374 2.003,375 2.406,377 5.427,378 1.845,379 3.012,380 1.795,381 4.514,382 2.73,383 1.776,384 2.013,386 4.655,387 1.69,388 2.743,389 1.374,390 4.134,391 2.32,392 1.334,393 1.848,395 3.484,396 1.314,397 2.43,398 1.173,399 3.802,400 2.101,401 1.136,402 1.406,404 2.565,405 1.093,406 2.266,407 1.077,408 3.535,409 1.984,410 1,411 1.209,413 2.372,414 0.983,415 2.118,416 0.94,417 3.391,418 1.864,419 0.899,420 1,422 2.105,423 0.866,424 2,425 0.686,426 3.304,427 1.572,428 0.618,429 0.927,431 1.494,432 0.587,433 1.996,434 0.618,435 3.167,436 1.518,437 0.614,438 0.834,440 1.372,441 0.556,442 1.349,443 0.413,444 3,445 1.287,446 0.311,447 0.32,449 0.813,450 0.303,451 14.733,452 0.475,453 0.766,454 0.025,455 33,456 1.065,457 12,458 0.387,459 21,460 0.677,461 32.716,462 1.055,463 35.067,464 0.539,465 21.84,466 0.705,467 5.882,468 0.19,469 9.197,470 0.297,471 0.057,472 0.034,473 0.251,479 0.937,480 1.529,481 0.921,482 1.236,483 0.877,484 1.103,485 1.133,486 1.092,487 1.027,488 1.014,489 0.751,490 0.999,491 1.179,492 1.16,493 1.134,494 1.175,495 1.356,496 1.163,497 0.931,498 0.937,499 0.944,500 0.958,501 0.936,502 0.957,503 0.936,504 0.981,505 1.024,506 1.06,507 1.085,508 1.061,509 0.802,510 0.904,511 0.806,512 0.897,513 0.876,514 0.863,515 1.122,516 0.983,517 1.026,518 0.991,519 1.214,520 1.005,521 0.949,522 0.947,523 1.047,524 0.998,525 0.878,526 1.025,527 7,528 0.164,529 3.611,530 1.722,531 1.367,532 0.899,533 0.631,534 0.241,535 0.235,536 0.203,537 16342,538 32513,539 2.172,540 52.3,541 6,542 16,543 1,544 2,545 2,547 3,548 4,550 1.73,551 2.078,552 3.765,553 0.193,555 1,559 92.931,560 1.43,561 3.381,562 4.596,563 5.157,564 5.242,565 5.242,566 3.232,567 4.414,568 4.926,569 3.978,570 1849.72,571 8.566,572 28146.6,577 391.454,578 1.327,579 4.9,580 0.2,581 0.007,582 0.077,583 0.039,584 0.033,585 0.025,586 0.017,587 0.007,588 0.009,589 0.008,590 0.422,591 0.17,592 0.88,593 0.415,594 165.454,595 0.047,596 -0.205,597 0.083,598 -0.057,599 0.024,600 0.001,601 -0.062,602 0.099,603 -0.016,604 0.036,605 0.052,606 0.023,607 -0.082,608 -0.11,609 -0.144,610 -0.122,611 -0.083,612 -0.14,613 -0.001,614 0.003,615 0.029,616 0.033,617 0.04,618 0.035,619 -0.016,620 -0.042,621 -0.055,622 -0.063,623 -0.064,624 -0.067,625 0.068,626 -0.016,627 0.158,628 0.078,629 0.063,630 0.121,631 -0.048,632 -0.032,633 -0.037,634 -0.02,635 -0.065,636 -0.03,637 -0.065,638 -0.008,639 -0.074,640 -0.041,641 -0.084,642 -0.056,643 1.754,644 5.008,645 0.742,646 36.129,647 0.989,648 1.139,649 3.177,650 10.094,651 0.633,652 3.584,653 3.932,654 4.143,655 4.394,656 4.543,657 4.635,658 4.762,659 4.844,660 4.898,661 4.97,662 8.351,663 0.588,664 422.64,665 3.584,666 5.142,667 5.994,668 6.88,669 7.745,670 8.632,671 9.502,672 10.39,673 11.263,674 12.152,675 9.2,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 65,716 15,717 1,718 35,720 69,721 24,722 10,723 3,724 3,730 5,731 6,740 4,741 2,743 6,745 10,746 14,747 2,764 34,765 5,766 2,767 7,773 6,777 0.8,778 1,781 1,788 1,790 1,792 2,793 2,796 1,815 2,817 1,819 4,823 1,827 31,832 1,833 11,837 1,838 2,839 1,844 1,847 1.5,848 1,854 14.917,855 11.533,856 6.625,857 4.155,858 2.742,859 1.344,860 0.963,861 6.046,862 10.718,863 3.773,864 4.337,865 4.868,866 5.446,867 5.853,868 6.271,869 6.731,870 7.157,871 7.35,872 7.575,873 1,874 44,875 11.541,877 4.971,878 7.444,879 23.107,881 20.103,883 1.944,884 60.25,888 376.675,889 99.505,890 58.259,892 42.683,895 99.505,896 419.359,897 58.259,898 8.396,899 25.736,900 80.16,901 74.105,902 33.449,903 13.915,904 341.362,906 376.675,907 157.764,908 42.683,911 294.278,912 82.398,913 42.683,915 67.906,916 56.532,917 33.326,919 376.675,920 100.943,921 99.505,924 376.675,925 36.395,926 71.257,927 16.786,928 76.009,929 376.675,930 100.943,931 99.505,933 0.588,934 0.322,935 0.171,936 0.085,937 26,938 10,939 0.13,940 9,941 1,942 1.087,943 4.529,944 274.333,945 0.087,946 23,947 143.58,951 20.988,952 8.93,953 5.307,954 2.447,955 82.258,956 12.029,957 7.821,958 3.404,961 2.445,962 1.938,963 59.469,964 577.123,965 42.5,975 64.309,976 74.012,977 0.237,978 0.561,979 0.763,980 0.856,981 0.87,982 0.87,983 5.042,984 1.776,985 5.999,986 5.427,987 4.615,988 5.024,989 1.072,990 6.828,991 4.531,992 6.24,993 1.334,994 7.572,995 4.655,996 4.369,997 4.868,998 0.57,999 7.987,1000 4.239,1001 7.552,1002 1.136,1003 9.252,1004 3.484,1005 6.286,1006 7.182,1007 0.653,1008 10.959,1009 6.126,1010 8.898,1011 1,1012 10.997,1013 2.565,1014 6.836,1015 7.895,1016 0.479,1017 12.93,1018 6.633,1019 10.278,1020 0.899,1021 12.785,1022 2.372,1023 8.258,1024 9.703,1025 0.432,1026 15.5,1027 8.027,1028 11.681,1029 0.618,1030 14.603,1031 2.105,1032 9.146,1033 10.827,1034 0.346,1035 17.769,1036 8.876,1037 13.101,1038 0.614,1039 16.442,1040 1.494,1041 10.393,1042 12.441,1043 0.291,1044 20.237,1045 10.092,1046 3.301,1047 0.311,1048 18.298,1049 1.372,1050 11.432,1051 13.765,1052 0.237,1053 22.618,1054 11.093,1055 3.118,1056 11.901,1057 20.167,1058 0.813,1059 12.617,1060 15.303,1061 0.195,1062 25.065,1063 12.245,1064 2.753,1065 10.431,1066 22.047,1067 4.518,1068 13.724,1069 16.722,1070 0.158,1071 27.49,1072 13.313,1073 2.706,1074 8.884,1075 23.934,1076 3.731,1077 14.891,1078 18.233,1079 0.129,1080 29.938,1081 14.444,1082 2.415,1083 7.676,1084 25.829,1085 3.301,1086 16.03,1087 19.696,1088 0.104,1089 32.383,1090 15.544,1091 2.04,1092 6.882,1093 27.73,1094 2.812,1095 17.195,1096 21.199,1097 0.084,1098 34.836,1099 16.67,1100 2.003,1101 6.001,1102 29.635,1103 2.706,1104 18.35,1105 22.682,1106 0.068,1107 37.291,1108 17.785,1109 14863,1110 21216,1111 24.038,1112 41.148,1113 52.984,1114 52.078,1115 53,1116 52.384,1117 52.341,1118 63.551,1119 3.2,1120 152.818,1121 50.087,1122 5.568,1123 5.524,1124 6.592,1125 5.316,1126 5.301,1127 7.518,1128 1.2,1129 18.565,1130 5.147,1131 10.55,1132 1.514,1133 1.488,1134 1.514,1135 1.497,1136 1.495,1137 1.816,1138 0.091,1139 4.366,1140 1.431,1141 4.154,1142 4.193,1143 4.113,1144 4.062,1145 6.446,1146 4.07,1147 3.955,1148 4.012,1149 3.84,1150 3.828,1151 5.135,1152 3.821,1153 3.861,1154 3.922,1155 3.789,1156 3.723,1157 4.927,1158 3.72,1159 3.824,1160 3.897,1161 3.732,1162 3.588,1163 4.381,1164 3.625,1165 3.575,1166 3.646,1167 3.436,1168 3.407,1169 4.285,1170 3.408,1171 3.421,1172 3.506,1173 3.275,1174 3.216,1175 4.24,1176 3.221,1177 3.275,1178 3.344,1179 3.147,1180 3.096,1181 4.054,1182 3.098,1183 3.111,1184 3.206,1185 2.921,1186 2.941,1187 3.897,1188 2.91,1189 0.131,1190 0.101,1191 0.2,1192 0.122,1193 0.094,1194 4.568,1195 0.129,1196 3.524,1197 0.023,1198 6.995,1199 0.34,1200 4.257,1201 0.09,1202 3.301,1203 4.518,1204 0.8,1205 11.901,1206 3.147,1207 1.961,1208 1.936,1209 2.07,1210 2.064,1211 1.433,1212 2.069,1213 1.865,1214 1.812,1215 2.03,1216 2.042,1217 1.281,1218 2.04,1219 1.68,1220 1.624,1221 1.889,1222 1.866,1223 1.142,1224 1.877,1225 1.555,1226 1.479,1227 1.797,1228 1.777,1229 1.097,1230 1.788,1231 1.407,1232 1.335,1233 1.589,1234 1.662,1235 0.825,1236 1.642,1237 1.327,1238 1.265,1239 1.514,1240 1.529,1241 0.825,1242 1.532,1243 1.161,1244 1.075,1245 1.513,1246 1.442,1247 0.818,1248 1.431,1249 1.153,1250 1.064,1251 1.513,1252 1.387,1253 0.697,1254 1.429,1255 4.263,1256 1.946,1257 5.602,1258 4.111,1259 7.119,1260 6.043,1261 8.717,1262 7.89,1263 10.358,1265 2.165,1270 11.008,1271 11.751,1275 0.88,1276 4.866,1277 -0.504,1280 38.218,1281 92.931,1282 219.759,1283 298.751,1284 335.189,1285 340.699,1286 340.699,1287 47.672,1288 7.976,1289 73.21,1290 73.21,1291 25,1292 12.685,1293 4,1294 3.087,1295 44.034,1296 159,1297 143,1298 0.133,1299 231.217,1300 388.21,1301 555.93,1302 37559,1304 21.261,1305 0.686,1306 0.597,1307 21.261,1308 18.503,1309 15.078,1310 0.431,1311 0.333,1312 11.506,1313 14.5,1314 11.234,1315 9.265,1316 15.078,1317 11.663,1318 14.052,1319 0.281,1320 0.194,1321 14.052,1322 9.723,1323 11.154,1324 0.18,1325 0.108,1326 11.154,1327 6.717,1328 9.361,1329 0.117,1330 0.061,1331 9.361,1332 4.902,1333 6.926,1334 0.074,1335 0.037,1336 6.926,1337 3.416,1338 0.218,1339 94.308,1340 0.204,1341 29.975,1342 0.34,1343 170,1344 382.708,1345 183.62,1346 376.204,1347 524.32,1348 354,1349 200,1350 397.154,1351 215.509,1352 405.397,1353 587.92,1354 379,1355 8.87} {0 CHEMBL116031,1 1.464,2 15,3 4.188,4 17.543,5 128.522,6 7.092,7 0.583,8 4.21,9 4.349,10 3.751,11 3.731,12 5.232,13 3.705,14 4.778,15 4.979,16 4.081,17 4.151,18 5.716,19 4.096,20 5.04,21 5.28,22 4.063,23 4.303,24 5.896,25 4.19,26 5.135,27 5.398,28 3.952,29 4.304,30 5.95,31 4.15,32 5.145,33 5.451,34 3.864,35 4.205,36 5.871,37 4.039,38 4.963,39 5.242,40 3.883,41 4.118,42 5.725,43 3.993,44 4.936,45 5.191,46 3.868,47 4.106,48 5.817,49 3.983,50 4.955,51 5.244,52 3.664,53 4.029,54 5.758,55 3.867,56 0.055,57 1.027,58 13.424,59 5.389,60 9.931,61 7.582,62 0.254,63 1.659,64 25.677,65 8.862,66 20.788,67 12.892,68 0.303,69 1.979,70 34.765,71 12.74,72 32.274,73 18.252,74 0.302,75 2.05,76 39.275,77 14.619,78 45.168,79 20.909,80 0.478,81 1.898,82 41.376,83 13.819,84 48.111,85 20.868,86 0.304,87 1.685,88 33.296,89 11.177,90 26.805,91 16.853,92 0.336,93 1.754,94 32.233,95 11.231,96 40.053,97 16.034,98 0.468,99 1.643,100 34.018,101 10.978,102 47.258,103 16.349,104 2,105 49,106 0.235,107 0.547,108 0.712,109 0.819,110 0.835,111 0.856,112 3.501,113 0.949,114 -5.51,115 -5.39,116 -5.03,119 41,121 3,125 6,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 4,176 3,178 10,181 1,182 4,186 3,189 9,193 7,197 1,199 4,203 10,206 1,211 2,215 7,218 1,222 1,226 5,229 2,233 1,236 1,237 6,244 2,249 2,252 1,256 3,259 1828,260 22.292,261 22.292,262 22.292,263 22.292,264 22.292,265 19.8,266 24.152,267 13.34,268 22.802,269 17.797,270 17.797,271 17.797,272 17.797,273 17.797,274 14.137,275 25.101,276 6.353,277 18.641,278 4.467,279 2.515,280 1.486,281 0.82,282 0.721,283 0.59,284 4.215,288 1,289 1,290 1073,291 3.082,294 171.397,295 327.706,298 146.068,302 2.375,303 20.163,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 68.5,315 480,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.162,326 3.184,327 6.095,328 3.774,329 2.808,330 3.774,331 0.8,332 8.884,333 2.71,334 4.129,335 2.973,336 6.024,337 3.69,338 2.753,339 3.731,341 8.561,342 2.578,343 3.654,344 2.882,345 5.489,346 3.563,347 2.639,348 2.813,350 7.378,351 2.434,352 3.432,353 2.573,354 5.149,355 3.14,356 2.216,357 2.656,359 6.378,360 2.059,361 3.255,362 2.182,363 5.107,364 2.994,365 2.022,366 2.59,368 5.994,369 1.948,370 3.206,371 1.997,372 4.514,373 2.73,374 1.776,375 2.238,377 4.655,378 1.69,379 2.903,380 1.795,381 4.203,382 2.52,383 1.539,384 2.061,386 3.893,387 1.509,388 2.841,389 1.53,390 4.133,391 2.379,392 1.414,393 1.967,395 3.481,396 1.347,397 2.742,398 1.37,399 3.605,400 2.313,401 1.328,402 1.846,404 2.986,405 1.306,406 2.428,407 1.169,408 3.48,409 2.096,410 1.131,411 1.403,413 2.552,414 1.089,415 2.264,416 1.146,417 3.414,418 1.967,419 1,420 1.208,422 2.275,423 0.965,424 2.118,425 0.945,426 3.322,427 1.867,428 0.902,429 1,431 2.107,432 0.868,433 2.008,434 0.812,435 3.209,436 1.695,437 0.72,438 0.927,440 1.673,441 0.7,442 2,443 0.653,444 3.133,445 1.54,446 0.618,447 0.869,449 1.394,450 0.556,451 15.186,452 0.475,453 0.585,454 0.018,455 39.5,456 1.234,457 18,458 0.563,459 21.5,460 0.672,461 28.37,462 0.887,463 34.614,464 0.567,465 27.377,466 0.856,467 7.814,468 0.244,469 7.945,470 0.248,471 0.019,473 0.277,477 1,479 0.688,480 1.305,481 0.802,482 1.145,483 0.494,484 1.016,485 0.958,486 1.003,487 0.98,488 0.956,489 0.573,490 0.956,491 0.908,492 0.992,493 1.044,494 1.064,495 0.75,496 1.071,497 0.919,498 1.11,499 1.073,500 1.189,501 1.012,502 1.169,503 0.727,504 0.802,505 0.862,506 0.877,507 0.734,508 0.888,509 0.727,510 0.877,511 0.869,512 0.905,513 0.517,514 0.901,515 1.141,516 1.144,517 1.097,518 1.134,519 1.283,520 1.12,521 1.069,522 0.895,523 1.115,524 0.992,525 1.161,526 1.049,527 5,528 0.095,529 3.556,530 1.132,531 1.108,532 0.875,533 0.446,534 0.258,535 0.229,536 0.168,537 18312,538 44412,539 2.194,540 47.5,541 2,542 19,543 1,544 2,545 1,547 4,550 1.736,551 2.133,552 3.832,553 -0.372,559 89.287,560 1.464,561 3.415,562 4.444,563 5.111,564 5.209,565 5.341,566 3.269,567 4.5,568 4.973,569 4.062,570 2014.86,571 8.649,572 32121.2,574 1,577 361.775,578 1.043,579 4.964,580 0.139,581 0.004,582 0.073,583 0.025,584 0.028,585 0.024,586 0.012,587 0.007,588 0.008,589 0.007,590 0.326,591 0.33,592 0.75,593 0.313,594 173.712,595 0.048,596 -0.18,597 0.079,598 -0.079,599 0.058,600 -0.013,601 -0.076,602 0.052,603 -0.045,604 0.033,605 0.029,606 0.008,607 -0.067,608 -0.008,609 -0.095,610 -0.05,611 0.024,612 -0.07,613 -0.046,614 -0.15,615 -0.108,616 -0.163,617 -0.035,618 -0.15,619 0.08,620 0.04,621 0.128,622 0.092,623 0.025,624 0.111,625 0.013,626 -0.016,627 0.098,628 0.062,629 0.039,630 0.088,631 -0.049,632 -0.104,633 -0.108,634 -0.136,635 -0.102,636 -0.135,637 -0.038,638 0.054,639 -0.111,640 -0.033,641 -0.115,642 -0.074,643 1.753,644 5.817,645 0.813,646 39.648,647 0.996,648 1.136,649 4.282,650 18.332,651 0.658,652 3.611,653 3.912,654 4.19,655 4.419,656 4.585,657 4.654,658 4.771,659 4.898,660 4.977,661 5.024,662 8.888,663 0.62,664 432.6,665 3.611,666 5.142,667 5.989,668 6.849,669 7.708,670 8.573,671 9.438,672 10.306,673 11.174,674 12.045,675 9.8,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 61,716 21,717 2,718 36,720 65,721 25,722 16,723 5,724 7,730 5,731 6,743 3,745 16,746 9,762 1,764 29,765 5,766 1,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 1,827 32,833 9,838 2,844 1,846 1,854 15,855 10.726,856 7.028,857 3.853,858 3.63,859 1.442,860 1.023,861 6.515,862 11.839,863 3.861,864 4.443,865 5.035,866 5.604,867 6.035,868 6.36,869 6.785,870 7.204,871 7.403,872 7.62,873 0.9,874 46,875 11.855,877 5.03,878 7.563,879 23.329,881 19.605,883 2.063,884 66,887 1,888 329.591,889 135.822,890 58.259,893 14.96,895 135.822,896 329.591,897 73.219,899 20.238,900 75.381,901 74.105,902 45.755,903 28.875,904 294.278,906 329.591,907 194.081,908 14.96,911 297.467,912 47.084,915 62.408,916 98.347,917 33.326,919 344.551,920 58.259,921 135.822,924 329.591,925 43.204,926 100.766,927 16.786,928 48.286,929 329.591,930 73.219,931 135.822,933 0.575,934 0.338,935 0.179,936 0.09,937 24,938 9,939 0.123,940 8,941 1,942 1.077,943 4.651,944 281.755,945 0.077,946 26,947 152,951 21.173,952 9.846,953 5.055,954 2.439,955 54.535,956 19.117,957 7.811,958 3.399,961 3.173,962 1.932,963 16.786,964 538.632,965 46.5,975 60.727,976 69.312,977 0.247,978 0.576,979 0.749,980 0.862,981 0.878,982 0.9,983 5.083,984 1.539,985 5.943,986 4.655,987 4.595,988 5.13,989 1.072,990 6.711,991 4.507,992 6.257,993 1.414,994 7.47,995 3.893,996 4.007,997 4.796,998 0.57,999 7.516,1000 3.853,1001 7.542,1002 1.328,1003 9.098,1004 3.481,1005 6.146,1006 7.311,1007 0.653,1008 10.598,1009 5.977,1010 8.867,1011 1.131,1012 10.786,1013 2.986,1014 6.447,1015 7.931,1016 0.479,1017 12.277,1018 6.221,1019 10.229,1020 1,1021 12.516,1022 2.552,1023 7.975,1024 9.836,1025 0.432,1026 14.838,1027 7.736,1028 11.617,1029 0.902,1030 14.273,1031 2.275,1032 8.687,1033 10.906,1034 0.346,1035 16.873,1036 8.407,1037 13.027,1038 0.72,1039 16.05,1040 2.107,1041 9.962,1042 12.564,1043 0.291,1044 19.265,1045 9.669,1046 3.118,1047 0.618,1048 17.842,1049 1.673,1050 10.873,1051 13.852,1052 0.237,1053 21.455,1054 10.552,1055 2.808,1056 10.431,1057 19.646,1058 1.394,1059 12.042,1060 15.408,1061 0.195,1062 23.792,1063 11.707,1064 2.753,1065 8.884,1066 21.459,1067 4.518,1068 13.049,1069 16.801,1070 0.158,1071 26.053,1072 12.696,1073 2.639,1074 8.561,1075 23.279,1076 3.774,1077 14.175,1078 18.316,1079 0.129,1080 28.376,1081 13.808,1082 2.216,1083 7.378,1084 25.106,1085 3.731,1086 15.232,1087 19.761,1088 0.104,1089 30.672,1090 14.851,1091 2.022,1092 6.378,1093 26.937,1094 2.813,1095 16.343,1096 21.262,1097 0.084,1098 32.994,1099 15.95,1100 1.776,1101 5.994,1102 28.774,1103 2.656,1104 17.425,1105 22.734,1106 0.068,1107 35.308,1108 17.021,1109 16702,1110 26178,1111 25.137,1112 40.108,1113 53.741,1114 53.482,1115 53.777,1116 53.331,1117 53.253,1118 68.815,1119 3.2,1120 148.333,1121 50.876,1122 5.568,1123 5.197,1124 6.255,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 7.966,1132 1.493,1133 1.486,1134 1.494,1135 1.481,1136 1.479,1137 1.912,1138 0.089,1139 4.12,1140 1.413,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 8.201,1146 4.07,1147 3.95,1148 3.995,1149 3.883,1150 3.865,1151 5.135,1152 3.864,1153 3.841,1154 3.911,1155 3.789,1156 3.652,1157 4.927,1158 3.662,1159 3.814,1160 3.881,1161 3.717,1162 3.578,1163 4.651,1164 3.616,1165 3.54,1166 3.613,1167 3.396,1168 3.38,1169 4.379,1170 3.378,1171 3.35,1172 3.42,1173 3.224,1174 3.201,1175 4.256,1176 3.194,1177 3.242,1178 3.317,1179 3.091,1180 3.079,1181 4.016,1182 3.074,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.843,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.022,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.063,1210 2.064,1211 1.374,1212 2.067,1213 1.918,1214 1.888,1215 2.039,1216 2.044,1217 1.272,1218 2.043,1219 1.797,1220 1.73,1221 1.981,1222 1.974,1223 1.177,1224 1.981,1225 1.649,1226 1.59,1227 1.858,1228 1.826,1229 1.093,1230 1.84,1231 1.42,1232 1.348,1233 1.651,1234 1.672,1235 0.857,1236 1.656,1237 1.377,1238 1.31,1239 1.562,1240 1.585,1241 0.825,1242 1.593,1243 1.258,1244 1.186,1245 1.513,1246 1.456,1247 0.71,1248 1.48,1249 1.153,1250 1.064,1251 1.473,1252 1.442,1253 0.579,1254 1.429,1255 4.29,1257 5.595,1258 3.045,1259 7.086,1260 5.283,1261 8.661,1262 7.286,1263 10.28,1267 13.817,1271 9.305,1276 5.006,1280 37.833,1281 89.287,1282 208.336,1283 271.104,1284 311.775,1285 317.775,1286 325.775,1287 45.197,1288 8.209,1289 52.98,1290 52.98,1291 28,1292 12.588,1293 4.459,1294 3.524,1295 46.202,1296 175,1297 150,1298 0.126,1299 229.229,1300 383.97,1301 551.08,1302 53243,1303 1.6,1304 21.753,1305 0.68,1306 0.57,1307 20.882,1308 18.251,1309 15.759,1310 0.438,1311 0.316,1312 11.231,1313 15.129,1314 11.039,1315 9.082,1316 15.348,1317 11.393,1318 13.796,1319 0.282,1320 0.174,1321 13.278,1322 8.541,1323 12.057,1324 0.185,1325 0.1,1326 11.53,1327 6.508,1328 9.845,1329 0.12,1330 0.056,1331 9.52,1332 4.577,1333 7.503,1334 0.077,1335 0.033,1336 7.34,1337 3.17,1338 0.208,1339 98.675,1340 0.199,1341 30.946,1342 0.318,1343 170,1344 470.67,1345 185.016,1346 436.904,1347 602.64,1348 412,1349 199,1350 449.809,1351 215.509,1352 451.087,1353 654.93,1354 425,1355 8.839} {0 CHEMBL116092,1 1.414,2 8.667,3 2.126,4 4.519,5 85.827,6 7.035,7 0.625,8 3.806,9 3.949,10 3.355,11 3.323,12 4.802,13 3.299,14 4.37,15 4.572,16 3.683,17 3.756,18 5.257,19 3.7,20 4.583,21 4.833,22 3.531,23 3.842,24 5.341,25 3.71,26 4.581,27 4.848,28 3.469,29 3.789,30 5.339,31 3.642,32 4.534,33 4.827,34 3.395,35 3.661,36 5.264,37 3.518,38 4.318,39 4.573,40 3.399,41 3.559,42 5.125,43 3.465,44 4.317,45 4.558,46 3.307,47 3.524,48 5.172,49 3.405,50 4.305,51 4.614,52 2.878,53 3.321,54 4.999,55 3.137,56 0.057,57 0.659,58 9.006,59 3.347,60 8.235,61 4.911,62 0.189,63 1.062,64 17.009,65 5.691,66 13.119,67 8.56,68 0.167,69 1.155,70 21.855,71 7.881,72 15.698,73 11.821,74 0.137,75 1.113,76 22.079,77 8.114,78 18.854,79 12.213,80 0.219,81 1.03,82 21.736,83 7.3,84 19.357,85 11.228,86 0.136,87 0.903,88 16.889,89 5.499,90 13.413,91 8.533,92 0.205,93 0.909,94 16.736,95 5.463,96 16.739,97 8.343,98 0.185,99 0.773,100 17.615,101 5.251,102 17.56,103 8.412,105 33,106 0.25,107 0.613,108 0.763,109 0.808,110 0.808,111 0.808,112 3.104,113 0.947,114 -4.13,115 -4.07,116 -3.85,119 40,121 3,125 3,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 5,171 2,172 5,176 3,178 4,182 3,186 3,189 4,193 6,199 4,203 6,206 2,211 3,215 3,222 2,225 1,226 3,229 2,231 2,233 2,244 2,248 2,249 2,256 2,259 574,260 14.792,261 14.792,262 14.792,263 14.792,264 14.792,265 13.104,266 16.229,267 8.869,268 15.133,269 11.886,270 11.886,271 11.886,272 11.886,273 11.886,274 9.347,275 14.832,276 4.237,277 12.44,278 3.908,279 1.851,280 1.007,281 0.75,282 0.75,283 0.75,284 3.805,287 1,288 1,289 1,290 409,291 2.236,294 150.615,295 49.857,298 78.328,302 1.492,303 7.543,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 44.5,315 182,316 4.569,317 3.201,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.909,327 6.096,328 3.692,329 2.755,330 3.732,332 8.885,333 2.58,334 3.563,335 2.813,336 5.368,337 3.463,338 2.534,339 2.819,341 7.026,342 2.354,343 3.392,344 2.158,345 5.106,346 2.989,347 2.009,348 2.606,350 5.948,351 1.965,352 3.243,353 1.793,354 4.514,355 2.729,356 1.774,357 2.5,359 4.654,360 1.689,361 2.737,362 1.4,363 4.127,364 2.333,365 1.348,366 1.841,368 3.457,369 1.326,370 2.425,371 1.263,372 3.522,373 2.183,374 1.214,375 1.402,377 2.755,378 1.174,379 2.308,380 0.992,381 3.335,382 1.9,383 0.939,384 1.274,386 2.161,387 0.9,388 2.118,389 0.759,390 3.207,391 1.663,392 0.705,393 0.946,395 1.684,396 0.674,397 2.089,398 0.744,399 3,400 1.591,401 0.618,402 0.927,404 1.372,405 0.6,406 1.618,407 0.618,408 3,409 1.518,410 0.618,411 0.618,413 1.372,414 0.556,415 1.517,416 0.389,417 2.907,418 1.301,419 0.329,420 0.387,422 0.796,423 0.319,424 0.847,425 -0.317,426 2.435,427 0.446,428 -0.514,429 -0.643,431 -1.322,432 -0.491,433 0.627,434 -0.7,435 2.201,436 0.174,437 -0.815,438 -1.054,440 -2.416,441 -0.803,442 0.22,443 -0.925,444 2,445 -0.047,446 -1.011,447 -1.327,449 -2.731,450 -0.973,451 10,452 0.476,453 0.359,454 0.017,455 26.5,456 1.262,457 12,458 0.571,459 14.5,460 0.69,461 15.699,462 0.748,463 22.4,464 0.56,465 15.61,466 0.743,467 5.041,468 0.24,469 5.358,470 0.255,473 0.28,479 0.87,480 1.439,481 0.815,482 1.137,483 0.575,484 0.997,485 1.161,486 1.029,487 0.984,488 0.942,489 0.749,490 0.942,491 0.906,492 1,493 1.051,494 1.078,495 0.69,496 1.082,497 0.663,498 1.072,499 0.929,500 1.108,501 0.703,502 1.061,503 0.706,504 0.876,505 0.823,506 0.897,507 0.799,508 0.878,509 1.027,510 1.067,511 0.889,512 0.934,513 0.865,514 0.901,515 1.017,516 1.155,517 1.195,518 1.24,519 1.13,520 1.24,521 1.187,522 0.914,523 1.097,524 0.963,525 1.382,526 1.01,527 3,528 0.014,529 2.222,530 0.729,531 0.668,532 0.5,533 0.292,534 0.085,535 0.097,536 0.037,537 4909,538 10434,539 2.246,540 47.5,542 9,543 1,544 2,545 1,547 6,550 1.631,551 2.211,552 3.134,553 -0.291,554 1,555 1,557 1,559 56.557,560 1.414,561 3.471,562 4.315,563 4.572,564 4.572,565 4.572,566 2.529,567 3.916,568 4.363,569 3.287,570 690.251,571 7.469,572 7319.98,573 1,574 1,576 1,577 212.877,578 0.863,579 4.366,580 0.125,581 0.002,582 0.067,583 0.027,584 0.027,585 0.022,586 0.012,587 0.004,588 0.008,589 0.004,590 0.298,591 0.67,592 1,594 94.831,595 0.129,596 -0.207,597 0.095,598 -0.084,599 0.303,600 -0.013,601 -0.049,602 0.114,603 -0.035,604 0.052,605 0.083,606 0.017,607 -0.112,608 -0.019,609 -0.106,610 -0.056,611 0.039,612 -0.077,613 0.038,614 -0.148,615 0.02,616 -0.079,617 0.097,618 -0.039,619 0.164,620 0.022,621 0.161,622 0.083,623 0.12,624 0.116,625 -0.055,626 -0.072,627 0.082,628 0.049,629 0.04,630 0.077,631 0.068,632 -0.117,633 -0.228,634 -0.279,635 -0.098,636 -0.288,637 -0.159,638 -0.029,639 -0.092,640 -0.032,641 -0.264,642 -0.051,643 0.561,644 0.877,645 0.905,646 16.667,647 0.992,648 1.135,649 2.9,650 8.409,651 0.659,652 3.219,653 3.526,654 3.829,655 4.094,656 4.174,657 4.331,658 4.489,659 4.635,660 4.644,661 4.635,662 5.381,663 0.62,664 281.4,665 3.219,666 4.745,667 5.602,668 6.472,669 7.344,670 8.221,671 9.1,672 9.981,673 10.863,674 11.748,675 12.5,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 40,716 15,717 1,718 24,720 43,721 16,722 10,723 3,724 3,730 4,731 5,740 2,743 3,745 10,746 6,760 1,761 1,764 19,765 3,766 1,767 5,773 5,777 0.75,788 1,789 1,792 3,793 1,796 1,815 1,819 3,827 21,833 6,838 1,844 1,854 9.5,855 7.05,856 4.583,857 2.58,858 2.81,859 1.398,860 1.041,861 3.396,862 9.873,863 3.481,864 4.086,865 4.727,866 5.351,867 5.769,868 6.226,869 6.708,870 7.156,871 7.349,872 7.572,873 0.833,874 27,875 7.748,877 3.285,878 7.413,879 15.441,881 13.104,883 1.913,884 40.167,885 0.001,888 211.88,889 79.293,890 55.135,895 79.293,896 211.88,897 55.135,899 13.921,900 37.476,901 74.105,902 30.324,903 13.915,904 176.567,906 211.88,907 134.428,911 141.253,912 70.627,915 52.967,916 48.136,917 33.326,919 211.88,920 55.135,921 79.293,924 211.88,925 24.58,926 59.737,927 16.786,928 33.326,929 211.88,930 55.135,931 79.293,933 0.575,934 0.34,935 0.187,936 0.082,937 18,938 6,939 0.093,940 4,941 1,942 1.105,943 3.542,944 165.098,945 0.105,946 19,947 84.239,951 12.9,952 5.528,953 2.558,954 2.503,955 36.45,956 12.053,957 7.752,958 3.377,961 2.501,962 1.941,963 16.786,964 346.308,965 31.5,975 39.694,976 45.398,977 0.266,978 0.652,979 0.811,980 0.859,981 0.859,982 0.859,983 4.698,984 0.939,985 5.557,986 2.755,987 4.205,988 4.771,989 0.673,990 6.344,991 4.12,992 5.879,993 0.705,994 7.091,995 2.161,996 3.611,997 4.477,998 0.325,999 7.182,1000 3.483,1001 7.173,1002 0.618,1003 8.728,1004 1.684,1005 5.765,1006 7.001,1007 0.379,1008 10.29,1009 5.603,1010 8.513,1011 0.618,1012 10.429,1013 1.372,1014 6.111,1015 7.698,1016 0.268,1017 12.022,1018 5.911,1019 9.892,1020 0.329,1021 12.172,1022 1.372,1023 7.621,1024 9.585,1025 0.239,1026 14.602,1027 7.396,1028 11.298,1029 -0.514,1030 13.945,1031 0.796,1032 8.382,1033 10.723,1034 0.188,1035 16.681,1036 8.13,1037 12.725,1038 -0.815,1039 15.738,1040 -1.322,1041 9.646,1042 12.37,1043 0.156,1044 19.092,1045 9.374,1046 3.119,1047 -1.011,1048 17.546,1049 -2.416,1050 10.597,1051 13.709,1052 0.125,1053 21.314,1054 10.308,1055 2.755,1056 10.433,1057 19.366,1058 -2.731,1059 11.766,1060 15.263,1061 0.102,1062 23.67,1063 11.46,1064 2.534,1065 8.885,1066 21.194,1067 4.518,1068 12.805,1069 16.691,1070 0.082,1071 25.953,1072 12.486,1073 2.009,1074 7.026,1075 23.03,1076 3.732,1077 13.938,1078 18.211,1079 0.066,1080 28.291,1081 13.605,1082 1.774,1083 5.948,1084 24.871,1085 2.819,1086 15.019,1087 19.679,1088 0.054,1089 30.602,1090 14.675,1091 1.348,1092 4.654,1093 26.718,1094 2.606,1095 16.141,1096 21.187,1097 0.043,1098 32.936,1099 15.785,1100 1.214,1101 3.457,1102 28.568,1103 2.5,1104 17.243,1105 22.674,1106 0.035,1107 35.261,1108 16.876,1109 4525,1110 6748,1111 16.989,1112 26.358,1113 35.915,1114 35.8,1115 35.495,1116 35.925,1117 35.927,1118 47.142,1119 1.6,1120 101.086,1121 34.399,1122 5.519,1123 5.201,1124 6.196,1125 5.16,1126 5.119,1127 7.518,1128 1.2,1129 17.105,1130 5.062,1132 1.496,1133 1.492,1134 1.479,1135 1.497,1136 1.497,1137 1.964,1138 0.067,1139 4.212,1140 1.433,1141 4.152,1142 4.19,1143 4.112,1144 4.06,1145 5.134,1146 4.068,1147 3.856,1148 3.929,1149 3.791,1150 3.682,1151 4.927,1152 3.682,1153 3.811,1154 3.886,1155 3.705,1156 3.572,1157 4.343,1158 3.611,1159 3.414,1160 3.477,1161 3.29,1162 3.282,1163 4.244,1164 3.278,1165 3.204,1166 3.287,1167 3.059,1168 3.002,1169 3.85,1170 3.006,1171 2.899,1172 2.979,1173 2.766,1174 2.763,1175 3.612,1176 2.756,1177 2.869,1178 2.968,1179 2.583,1180 2.671,1181 3.413,1182 2.635,1183 2.63,1184 2.749,1185 2.38,1186 2.376,1187 3.4,1188 2.362,1189 0.19,1190 0.133,1191 0.274,1192 0.171,1193 0.13,1194 4.569,1195 0.188,1196 3.201,1197 0.033,1198 6.566,1199 0.435,1200 4.1,1201 0.128,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.269,1212 2.049,1213 1.681,1214 1.62,1215 1.877,1216 1.878,1217 1.211,1218 1.884,1219 1.577,1220 1.507,1221 1.86,1222 1.751,1223 1.113,1224 1.793,1225 1.436,1226 1.36,1227 1.64,1228 1.692,1229 0.878,1230 1.675,1231 1.372,1232 1.307,1233 1.514,1234 1.589,1235 0.585,1236 1.58,1237 1.078,1238 0.982,1239 1.354,1240 1.442,1241 0.501,1242 1.379,1243 1.044,1244 0.954,1245 1.219,1246 1.294,1247 0.184,1248 1.325,1249 0.851,1250 0.787,1251 1.115,1252 1.034,1253 0.094,1254 1.068,1255 3.892,1257 5.198,1258 3.434,1259 6.683,1260 5.638,1261 8.255,1262 7.591,1263 9.878,1271 7.482,1276 2.558,1280 24.795,1281 56.557,1282 138.838,1283 172.612,1284 182.877,1285 182.877,1286 182.877,1287 20.119,1288 7.063,1289 49.74,1290 49.74,1291 21,1292 12.281,1293 4,1294 3.087,1295 28.045,1296 66,1297 61,1298 0.205,1299 151.081,1300 242.38,1301 360.399,1302 10579,1304 14.071,1305 0.67,1306 0.571,1307 14.071,1308 11.996,1309 10.399,1310 0.433,1311 0.316,1312 7.469,1313 9.986,1314 7.345,1315 6.062,1316 10.399,1317 7.574,1318 9.107,1319 0.276,1320 0.173,1321 9.107,1322 5.712,1323 8.089,1324 0.18,1325 0.097,1326 8.089,1327 4.364,1328 6.844,1329 0.116,1330 0.053,1331 6.844,1332 3.153,1333 4.629,1334 0.072,1335 0.028,1336 4.629,1337 1.817,1338 0.318,1339 65.035,1340 0.243,1341 20.884,1342 0.572,1343 114,1344 274.913,1345 123.103,1346 272.233,1347 387.18,1348 258,1349 135,1350 301.363,1351 145.463,1352 305.767,1353 444.12,1354 288,1355 8.547} {0 CHEMBL116153,1 1.534,2 15.152,3 4.394,4 19.306,5 128.738,6 7.387,7 0.568,8 4.217,9 4.353,10 3.786,11 3.73,12 5.284,13 3.714,14 4.786,15 4.984,16 4.131,17 4.149,18 5.807,19 4.109,20 5.052,21 5.288,22 4.094,23 4.301,24 5.972,25 4.2,26 5.137,27 5.398,28 4.044,29 4.303,30 6.091,31 4.161,32 5.156,33 5.457,34 3.898,35 4.203,36 5.943,37 4.053,38 4.977,39 5.251,40 3.904,41 4.118,42 5.834,43 3.997,44 4.929,45 5.185,46 3.919,47 4.105,48 5.787,49 3.99,50 4.979,51 5.257,52 3.779,53 4.023,54 5.911,55 3.901,56 0.052,57 1.096,58 12.732,59 5.419,60 8.306,61 7.31,62 0.273,63 1.762,64 25.085,65 8.91,66 24.306,67 12.455,68 0.415,69 2.081,70 35.112,71 12.809,72 41.585,73 17.65,74 0.461,75 2.177,76 39.235,77 14.613,78 80.417,79 21.017,80 0.563,81 1.945,82 42.819,83 13.877,84 68.223,85 20.404,86 0.566,87 1.747,88 34.449,89 11.187,90 50.334,91 16.536,92 0.282,93 1.726,94 31.373,95 11.19,96 32.778,97 16.237,98 0.563,99 1.815,100 35.57,101 11.108,102 70.418,103 15.409,104 5,105 51,106 0.246,107 0.56,108 0.713,109 0.804,110 0.814,111 0.835,112 3.531,113 0.931,114 -5.88,115 -5.74,116 -5.34,119 41,121 3,125 6,140 6,141 3,142 3,149 1,150 1,158 2,164 1,169 8,171 2,172 4,176 3,178 10,181 1,182 4,186 3,189 6,193 8,197 1,199 4,203 8,206 1,211 2,215 7,218 1,222 1,226 6,229 2,233 1,236 1,237 4,244 2,249 2,252 1,256 4,259 2004,260 22.687,261 22.687,262 22.687,263 22.687,264 22.687,265 20.198,266 27.131,267 13.497,268 23.271,269 18.319,270 18.319,271 18.319,272 18.319,273 18.319,274 14.58,275 29.163,276 6.476,277 19.29,278 4.397,279 2.436,280 1.484,281 0.918,282 0.852,283 0.721,284 4.242,288 1,289 1,290 1112,291 3.162,294 179.294,295 341.054,298 153.163,302 2.459,303 29.544,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 72,315 500,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.162,326 3.15,327 6.095,328 3.746,329 2.781,330 3.809,331 0.8,332 8.884,333 2.681,334 4.129,335 2.982,336 5.671,337 3.69,338 2.753,339 3.731,341 7.943,342 2.578,343 3.661,344 2.882,345 5.486,346 3.568,347 2.645,348 2.813,350 7.377,351 2.438,352 3.434,353 2.613,354 5.153,355 3.17,356 2.243,357 2.683,359 6.406,360 2.083,361 3.349,362 2.592,363 5.112,364 3.009,365 2.032,366 2.593,368 5.995,369 1.975,370 3.25,371 2.366,372 4.84,373 2.905,374 1.952,375 2.549,377 5.542,378 1.844,379 3.232,380 2.18,381 4.618,382 2.787,383 1.879,384 2.481,386 4.963,387 1.69,388 3.148,389 1.795,390 4.514,391 2.73,392 1.776,393 2.18,395 4.655,396 1.678,397 2.742,398 1.372,399 4.134,400 2.316,401 1.331,402 1.847,404 3.482,405 1.31,406 2.428,407 1.172,408 3.484,409 2.098,410 1.133,411 1.404,413 2.559,414 1.091,415 2.264,416 1.146,417 3.414,418 1.967,419 1,420 1.208,422 2.275,423 0.965,424 2.118,425 0.95,426 3.325,427 1.867,428 0.902,429 1,431 2.109,432 0.868,433 2.004,434 0.823,435 3.232,436 1.68,437 0.709,438 0.927,440 1.689,441 0.687,442 2,443 0.645,444 3.151,445 1.534,446 0.618,447 0.859,449 1.387,450 0.556,451 15.471,452 0.469,453 0.708,454 0.021,455 40.25,456 1.22,457 18,458 0.545,459 22.25,460 0.674,461 29.715,462 0.9,463 36.129,464 0.592,465 29.004,466 0.879,467 8.002,468 0.242,469 8.134,470 0.246,471 0.037,473 0.304,477 2,479 0.618,480 1.219,481 0.75,482 1.144,483 0.477,484 1.008,485 0.822,486 0.975,487 0.919,488 0.957,489 0.505,490 0.944,491 0.919,492 0.952,493 1.076,494 1.059,495 0.826,496 1.091,497 0.466,498 0.953,499 0.911,500 1.185,501 0.385,502 1.156,503 0.801,504 0.808,505 0.898,506 0.875,507 0.77,508 0.9,509 0.73,510 0.759,511 0.938,512 0.895,513 0.691,514 0.945,515 0.579,516 0.983,517 0.907,518 1.132,519 0.506,520 1.098,521 1.32,522 1.037,523 1.174,524 0.997,525 1.379,526 1.043,527 6.5,528 0.111,529 3.111,530 1.569,531 1.379,532 0.764,533 0.527,534 0.367,535 0.208,536 0.219,537 19869,538 54239,539 2.168,540 45.9,541 2,542 18,543 1,544 2,545 1,547 4,550 1.744,551 2.084,552 3.851,553 -0.352,559 93.563,560 1.534,561 3.495,562 4.447,563 5.013,564 5.078,565 5.209,566 3.268,567 4.499,568 5.018,569 4.102,570 2165.61,571 8.737,572 35567.7,574 1,577 361.775,578 1.182,579 4.999,580 0.176,581 0.004,582 0.061,583 0.033,584 0.033,585 0.021,586 0.014,587 0.01,588 0.007,589 0.008,590 0.367,591 0.33,592 0.75,593 0.398,594 181.166,595 0.014,596 -0.162,597 0.068,598 -0.078,599 0.024,600 -0.014,601 -0.069,602 0.012,603 -0.028,604 0.031,605 0.059,606 0.018,607 -0.098,608 0.01,609 -0.142,610 -0.047,611 -0.046,612 -0.09,613 0.158,614 -0.13,615 0.018,616 -0.167,617 0.211,618 -0.118,619 -0.015,620 0.003,621 0.097,622 0.09,623 -0.022,624 0.112,625 0.048,626 0.098,627 0.029,628 0.07,629 -0.007,630 0.05,631 0.052,632 -0.161,633 0.022,634 -0.144,635 0.022,636 -0.087,637 -0.155,638 -0.02,639 -0.142,640 -0.035,641 -0.16,642 -0.073,643 2.167,644 5.367,645 0.788,646 41.686,647 1.004,648 1.142,649 4.651,650 21.635,651 0.656,652 3.638,653 3.951,654 4.205,655 4.466,656 4.615,657 4.7,658 4.796,659 4.92,660 4.997,661 5.063,662 9.158,663 0.627,664 450.59,665 3.638,666 5.176,667 6.019,668 6.887,669 7.74,670 8.612,671 9.471,672 10.344,673 11.208,674 12.083,675 9.8,678 2,683 2,685 2,687 2,688 9,689 2,690 1,693 5,694 1,695 21,713 2,714 61,716 21,717 2,718 37,720 65,721 25,722 16,723 6,724 6,730 5,731 6,743 3,745 16,746 9,762 2,764 28,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 2,827 33,833 9,838 2,844 1,846 2,854 15.833,855 10.786,856 7.167,857 3.827,858 3.635,859 1.438,860 1.023,861 6.701,862 11.925,863 3.882,864 4.477,865 5.055,866 5.648,867 6.066,868 6.414,869 6.794,870 7.211,871 7.412,872 7.628,873 0.9,874 47,875 12.252,877 5.268,878 7.732,879 23.75,881 19.97,883 2.232,884 73.667,887 1,888 317.82,889 135.467,890 58.259,893 29.92,895 135.467,896 317.82,897 88.179,899 20.238,900 65.905,901 74.105,902 54.876,903 43.835,904 282.506,906 317.82,907 193.726,908 29.92,911 300.656,912 47.084,915 62.408,916 97.992,917 33.326,919 347.74,920 58.259,921 135.467,924 317.82,925 52.325,926 91.29,927 16.786,928 63.246,929 317.82,930 88.179,931 135.467,933 0.579,934 0.331,935 0.181,936 0.09,937 25,938 10,939 0.123,940 8,941 1,942 1.077,943 4.71,944 293.405,945 0.077,946 26,947 152.465,951 22.059,952 10.025,953 5.428,954 2.397,955 69.495,956 15.684,957 7.791,958 3.382,961 2.118,962 1.917,963 16.786,964 541.466,965 47.5,975 61.239,976 69.652,977 0.259,978 0.589,979 0.75,980 0.845,981 0.856,982 0.878,983 5.113,984 1.879,985 5.984,986 5.542,987 4.635,988 5.165,989 1.072,990 6.751,991 4.537,992 6.299,993 1.776,994 7.509,995 4.963,996 4.111,997 4.902,998 0.57,999 7.526,1000 3.938,1001 7.589,1002 1.331,1003 9.129,1004 4.655,1005 6.188,1006 7.352,1007 0.653,1008 10.604,1009 6.007,1010 8.915,1011 1.133,1012 10.805,1013 3.482,1014 6.494,1015 7.984,1016 0.479,1017 12.234,1018 6.254,1019 10.276,1020 1,1021 12.519,1022 2.559,1023 8.001,1024 9.868,1025 0.432,1026 14.805,1027 7.751,1028 11.66,1029 0.902,1030 14.259,1031 2.275,1032 8.703,1033 10.936,1034 0.346,1035 16.815,1036 8.414,1037 13.064,1038 0.709,1039 16.02,1040 2.109,1041 9.971,1042 12.586,1043 0.291,1044 19.215,1045 9.669,1046 3.118,1047 0.618,1048 17.798,1049 1.689,1050 10.873,1051 13.872,1052 0.237,1053 21.398,1054 10.545,1055 2.781,1056 10.431,1057 19.589,1058 1.387,1059 12.038,1060 15.423,1061 0.195,1062 23.741,1063 11.697,1064 2.753,1065 8.884,1066 21.391,1067 4.518,1068 13.041,1069 16.815,1070 0.158,1071 26.003,1072 12.682,1073 2.645,1074 7.943,1075 23.203,1076 3.809,1077 14.165,1078 18.328,1079 0.129,1080 28.332,1081 13.793,1082 2.243,1083 7.377,1084 25.023,1085 3.731,1086 15.219,1087 19.773,1088 0.104,1089 30.632,1090 14.834,1091 2.032,1092 6.406,1093 26.85,1094 2.813,1095 16.329,1096 21.272,1097 0.084,1098 32.959,1099 15.933,1100 1.952,1101 5.995,1102 28.683,1103 2.683,1104 17.41,1105 22.743,1106 0.068,1107 35.277,1108 17.003,1109 18205,1110 30277,1111 25.542,1112 40.046,1113 55.445,1114 54.868,1115 55.375,1116 55.085,1117 54.914,1118 70.632,1119 3.2,1120 154.207,1121 52.135,1122 5.568,1123 5.197,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 11.613,1132 1.499,1133 1.483,1134 1.497,1135 1.489,1136 1.484,1137 1.909,1138 0.086,1139 4.168,1140 1.409,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 8.211,1146 4.07,1147 3.956,1148 3.998,1149 3.903,1150 3.865,1151 8.191,1152 3.868,1153 3.843,1154 3.912,1155 3.79,1156 3.652,1157 5.135,1158 3.663,1159 3.815,1160 3.884,1161 3.722,1162 3.578,1163 4.927,1164 3.616,1165 3.542,1166 3.614,1167 3.4,1168 3.38,1169 4.524,1170 3.379,1171 3.356,1172 3.425,1173 3.236,1174 3.2,1175 4.363,1176 3.198,1177 3.245,1178 3.319,1179 3.107,1180 3.079,1181 4.255,1182 3.076,1183 3.111,1184 3.206,1185 2.913,1186 2.941,1187 3.997,1188 2.91,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.197,1197 0.022,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.06,1210 2.064,1211 1.374,1212 2.066,1213 1.913,1214 1.885,1215 2.033,1216 2.045,1217 1.272,1218 2.042,1219 1.795,1220 1.729,1221 1.969,1222 1.975,1223 1.176,1224 1.975,1225 1.648,1226 1.59,1227 1.853,1228 1.826,1229 1.091,1230 1.839,1231 1.418,1232 1.346,1233 1.63,1234 1.672,1235 0.835,1236 1.654,1237 1.374,1238 1.308,1239 1.557,1240 1.586,1241 0.825,1242 1.588,1243 1.254,1244 1.184,1245 1.513,1246 1.456,1247 0.707,1248 1.478,1249 1.153,1250 1.064,1251 1.472,1252 1.442,1253 0.579,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.122,1260 5.283,1261 8.697,1262 7.286,1263 10.317,1267 26.734,1271 8.754,1276 4.89,1280 38.217,1281 93.563,1282 213.167,1283 271.246,1284 305.775,1285 309.775,1286 317.775,1287 55.469,1288 8.291,1289 52.98,1290 52.98,1291 28,1292 12.625,1293 4.459,1294 3.524,1295 48.36,1296 186,1297 146,1298 0.124,1299 230.428,1300 390.04,1301 554.003,1302 59014,1303 3.3,1304 22.623,1305 0.686,1306 0.562,1307 20.882,1308 18.552,1309 16.136,1310 0.436,1311 0.31,1312 11.299,1313 15.381,1314 11.122,1315 9.127,1316 15.348,1317 11.486,1318 14.558,1319 0.285,1320 0.171,1321 13.278,1322 8.727,1323 12.082,1324 0.183,1325 0.098,1326 11.53,1327 6.492,1328 10.394,1329 0.121,1330 0.054,1331 9.52,1332 4.64,1333 7.621,1334 0.076,1335 0.032,1336 7.34,1337 3.191,1338 0.205,1339 101.803,1340 0.198,1341 31.756,1342 0.312,1343 176,1344 564.781,1345 194.846,1346 499.344,1347 673.47,1348 468,1349 205,1350 492.143,1351 223.837,1352 487.175,1353 706.02,1354 458,1355 9.189} {0 CHEMBL116161,1 1.401,2 14.364,3 3.059,4 9.356,5 135.532,6 6.348,7 0.405,8 4.344,9 4.49,10 3.786,11 3.831,12 5.263,13 3.785,14 4.958,15 5.172,16 4.175,17 4.3,18 5.773,19 4.227,20 5.288,21 5.521,22 4.168,23 4.513,24 6.076,25 4.37,26 5.49,27 5.801,28 4.076,29 4.523,30 6.147,31 4.333,32 5.348,33 5.644,34 3.988,35 4.416,36 6.019,37 4.232,38 5.291,39 5.59,40 4.005,41 4.356,42 5.988,43 4.19,44 5.232,45 5.508,46 3.907,47 4.308,48 5.996,49 4.138,50 5.216,51 5.538,52 3.685,53 4.203,54 5.839,55 3.991,56 0.112,57 1.089,58 17.77,59 6.472,60 14.436,61 9.796,62 0.309,63 1.803,64 33.134,65 11.085,66 21.406,67 17.199,68 0.414,69 2.243,70 45.769,71 16.198,72 39.519,73 24.503,74 0.559,75 2.378,76 55.666,77 18.396,78 49.195,79 28.81,80 0.458,81 2.11,82 48.225,83 16.555,84 41.214,85 25.376,86 0.408,87 1.984,88 45.599,89 15.439,90 41.379,91 23.763,92 0.49,93 1.919,94 43.527,95 14.121,96 48.626,97 21.818,98 0.422,99 1.78,100 42.287,101 13.479,102 36.715,103 21.543,104 10,105 54,106 0.22,107 0.518,108 0.704,109 0.808,110 0.834,111 0.834,112 3.531,113 1.015,114 -4.82,115 -4.73,116 -4.44,119 36.6,120 2,121 6,123 1,125 6,129 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 9,171 2,172 7,176 5,178 10,182 8,184 1,186 3,189 7,193 6,195 1,197 1,199 5,202 1,203 6,206 1,208 2,211 8,215 4,218 1,220 4,222 9,226 6,229 2,231 1,233 2,236 1,237 7,242 3,244 2,249 1,254 1,256 4,259 1901,260 22.17,261 22.17,262 22.17,263 22.17,264 22.17,265 20.483,266 27.624,267 12.838,268 22.642,269 18.286,270 18.286,271 18.286,272 18.286,273 18.286,274 15.748,275 32.217,276 6.106,277 19.083,278 4.748,279 2.853,280 1.669,281 1.007,282 0.838,283 0.838,284 4.237,289 1,290 1053,291 3.674,294 177.997,295 335.408,298 151.896,302 2.253,303 20.615,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 70,315 474,316 4.568,317 3.536,318 7.001,319 4.287,320 3.324,321 4.518,322 0.8,323 11.93,324 3.22,325 4.324,326 3.253,327 6.739,328 4.181,329 3.195,330 3.731,331 0.8,332 11.031,333 3.122,334 4.195,335 3.196,336 6.566,337 4.099,338 3.118,339 3.324,341 10.431,342 3.062,343 4.129,344 2.885,345 6.095,346 3.689,347 2.753,348 3.195,350 8.884,351 2.577,352 3.463,353 2.756,354 5.328,355 3.345,356 2.424,357 2.812,359 6.918,360 2.231,361 3.389,362 2.47,363 5.18,364 3.08,365 2.155,366 2.593,368 6.417,369 2.005,370 3.247,371 2.183,372 5.125,373 3.004,374 2.028,375 2.416,377 5.999,378 1.959,379 3.151,380 1.795,381 4.514,382 2.73,383 1.776,384 2.152,386 4.655,387 1.69,388 2.743,389 1.375,390 4.134,391 2.322,392 1.335,393 1.848,395 3.484,396 1.316,397 2.43,398 1.281,399 3.802,400 2.213,401 1.227,402 1.406,404 2.743,405 1.208,406 2.27,407 1.172,408 3.791,409 2.099,410 1.134,411 1.233,413 2.561,414 1.092,415 2.223,416 1.077,417 3.577,418 1.984,419 1,420 1.202,422 2.372,423 0.983,424 2.118,425 0.94,426 3.417,427 1.864,428 0.899,429 1,431 2.104,432 0.865,433 2,434 0.686,435 3.308,436 1.572,437 0.618,438 0.927,440 1.493,441 0.586,442 1.995,443 0.618,444 3.168,445 1.518,446 0.614,447 0.833,449 1.372,450 0.556,451 15.733,452 0.477,453 0.953,454 0.029,455 34,456 1.03,457 12,458 0.364,459 22,460 0.667,461 38.927,462 1.18,463 37.667,464 0.531,465 22.299,466 0.676,467 5.837,468 0.177,469 10.054,470 0.305,471 0.085,472 0.064,473 0.203,479 0.937,480 1.529,481 0.952,482 1.254,483 0.916,484 1.13,485 1.078,486 1.081,487 0.974,488 0.988,489 0.713,490 0.963,491 1.145,492 1.26,493 1.22,494 1.295,495 1.288,496 1.279,497 0.888,498 0.874,499 0.908,500 0.9,501 0.852,502 0.907,503 0.883,504 0.943,505 0.953,506 1.005,507 1.017,508 0.995,509 0.91,510 0.929,511 0.839,512 0.924,513 1.011,514 0.888,515 1.345,516 1.064,517 1.131,518 1.082,519 1.657,520 1.099,521 0.866,522 0.898,523 0.964,524 0.934,525 0.784,526 0.953,527 8.5,528 0.181,529 4,530 2.132,531 1.57,532 1.056,533 0.727,534 0.312,535 0.278,536 0.224,537 18821,538 36292,539 2.134,540 53.5,541 10,542 15,543 1,544 2,545 2,547 4,548 4,550 1.745,551 2.02,552 3.783,553 0.162,559 99.49,560 1.401,561 3.296,562 4.481,563 5.143,564 5.312,565 5.312,566 3.219,567 4.476,568 5.019,569 4.018,570 2121.33,571 8.746,572 33856.8,577 436.632,578 1.449,579 4.976,580 0.23,581 0.007,582 0.074,583 0.044,584 0.036,585 0.026,586 0.017,587 0.009,588 0.01,589 0.008,590 0.46,591 0.17,592 0.88,593 0.467,594 179.533,595 0.058,596 -0.192,597 0.081,598 -0.053,599 0.002,600 0.002,601 -0.024,602 0.123,603 0.052,604 0.091,605 0.079,606 0.085,607 -0.093,608 -0.178,609 -0.224,610 -0.217,611 -0.095,612 -0.235,613 0.012,614 0.032,615 0.058,616 0.063,617 0.04,618 0.066,619 0.024,620 -0.012,621 0.014,622 -0.014,623 -0.023,624 -0.004,625 0.051,626 -0.015,627 0.131,628 0.062,629 0.097,630 0.098,631 -0.103,632 -0.097,633 -0.128,634 -0.096,635 -0.158,636 -0.119,637 -0.021,638 0.002,639 -0.002,640 0.003,641 -0.043,642 0.003,643 1.765,644 5.227,645 0.788,646 38.152,647 0.987,648 1.139,649 3.589,650 12.882,651 0.629,652 3.638,653 4.007,654 4.234,655 4.5,656 4.673,657 4.779,658 4.844,659 4.99,660 5.037,661 5.088,662 8.669,663 0.581,664 450.7,665 3.638,666 5.209,667 6.057,668 6.954,669 7.814,670 8.712,671 9.578,672 10.476,673 11.344,674 12.243,675 8.5,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 71,716 15,717 1,718 37,720 75,721 26,722 10,723 3,724 3,730 5,731 6,736 2,737 1,739 1,740 4,741 1,743 6,745 10,746 16,747 1,764 38,765 5,766 2,767 7,773 6,777 0.8,778 1,781 1,788 1,792 2,793 3,796 1,815 2,817 1,819 4,823 2,827 33,832 1,833 12,838 2,839 2,844 1,847 1.4,848 1,854 16.333,855 12.95,856 6.958,857 4.555,858 2.726,859 1.329,860 0.948,861 6.519,862 11.017,863 3.818,864 4.388,865 4.913,866 5.484,867 5.889,868 6.301,869 6.743,870 7.172,871 7.363,872 7.585,873 1,874 49,875 12.298,877 5.283,878 7.429,879 24.659,881 21.451,883 1.929,884 63.667,888 423.76,889 110.865,890 58.259,892 42.683,895 110.865,896 466.443,897 58.259,898 17.65,899 27.841,900 80.16,901 74.105,902 33.449,903 13.915,904 388.446,906 423.76,907 169.124,908 42.683,911 329.591,912 94.169,913 42.683,915 87.662,916 48.136,917 33.326,919 423.76,920 100.943,921 110.865,924 423.76,925 38.501,926 80.511,927 16.786,928 76.009,929 423.76,930 100.943,931 110.865,933 0.594,934 0.332,935 0.174,936 0.09,937 28,938 11,939 0.093,940 7,941 1,942 1.077,943 4.573,944 302.152,945 0.077,946 26,947 156.465,951 22.887,952 9.4,953 5.447,954 2.449,955 82.258,956 12.048,957 7.837,958 3.413,961 2.446,962 1.94,963 59.469,964 635.567,965 44.5,975 70.076,976 80.842,977 0.228,978 0.536,979 0.729,980 0.836,981 0.864,982 0.864,983 5.104,984 1.776,985 6.094,986 5.999,987 4.691,988 5.075,989 1.072,990 6.952,991 4.612,992 6.311,993 1.335,994 7.687,995 4.655,996 4.511,997 4.956,998 0.57,999 8.225,1000 4.398,1001 7.638,1002 1.227,1003 9.39,1004 3.484,1005 6.412,1006 7.235,1007 0.653,1008 11.176,1009 6.265,1010 8.997,1011 1.134,1012 11.161,1013 2.743,1014 7.031,1015 7.967,1016 0.479,1017 13.217,1018 6.861,1019 10.39,1020 1,1021 12.974,1022 2.561,1023 8.447,1024 9.751,1025 0.432,1026 15.781,1027 8.249,1028 11.804,1029 0.899,1030 14.815,1031 2.372,1032 9.389,1033 10.877,1034 0.346,1035 18.078,1036 9.171,1037 13.234,1038 0.618,1039 16.675,1040 2.104,1041 10.641,1042 12.476,1043 0.291,1044 20.543,1045 10.397,1046 3.324,1047 0.614,1048 18.549,1049 1.493,1050 11.716,1051 13.797,1052 0.237,1053 22.93,1054 11.451,1055 3.195,1056 11.93,1057 20.433,1058 1.372,1059 12.911,1060 15.326,1061 0.195,1062 25.372,1063 12.622,1064 3.118,1065 11.031,1066 22.324,1067 4.518,1068 14.041,1069 16.74,1070 0.158,1071 27.793,1072 13.729,1073 2.753,1074 10.431,1075 24.221,1076 3.731,1077 15.219,1078 18.247,1079 0.129,1080 30.234,1081 14.882,1082 2.424,1083 8.884,1084 26.123,1085 3.324,1086 16.373,1087 19.706,1088 0.104,1089 32.67,1090 16.012,1091 2.155,1092 6.918,1093 28.029,1094 3.195,1095 17.546,1096 21.206,1097 0.084,1098 35.115,1099 17.16,1100 2.028,1101 6.417,1102 29.938,1103 2.812,1104 18.712,1105 22.688,1106 0.068,1107 37.56,1108 18.3,1109 17297,1110 24344,1111 25.019,1112 44.671,1113 56.634,1114 55.434,1115 56.084,1116 55.704,1117 55.694,1118 66.904,1119 3.2,1120 166.042,1121 53.422,1122 5.568,1123 5.536,1124 6.598,1125 5.346,1126 5.324,1127 7.518,1128 1.2,1129 18.601,1130 5.22,1131 13.664,1132 1.531,1133 1.498,1134 1.516,1135 1.506,1136 1.505,1137 1.808,1138 0.086,1139 4.488,1140 1.444,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 6.446,1146 4.07,1147 3.958,1148 4.016,1149 3.848,1150 3.817,1151 5.135,1152 3.815,1153 3.841,1154 3.911,1155 3.789,1156 3.692,1157 4.927,1158 3.688,1159 3.815,1160 3.882,1161 3.702,1162 3.586,1163 4.414,1164 3.623,1165 3.556,1166 3.621,1167 3.415,1168 3.401,1169 4.289,1170 3.399,1171 3.378,1172 3.461,1173 3.236,1174 3.205,1175 4.24,1176 3.197,1177 3.295,1178 3.364,1179 3.141,1180 3.132,1181 3.961,1182 3.128,1183 3.187,1184 3.275,1185 3.006,1186 2.981,1187 3.882,1188 2.977,1189 0.123,1190 0.096,1191 0.189,1192 0.116,1193 0.09,1194 4.568,1195 0.122,1196 3.536,1197 0.022,1198 7.001,1199 0.322,1200 4.287,1201 0.087,1202 3.324,1203 4.518,1204 0.8,1205 11.93,1206 3.22,1207 1.961,1208 1.936,1209 2.109,1210 2.088,1211 1.476,1212 2.097,1213 1.913,1214 1.86,1215 2.054,1216 2.052,1217 1.399,1218 2.051,1219 1.824,1220 1.769,1221 2.018,1222 1.998,1223 1.275,1224 2.012,1225 1.666,1226 1.613,1227 1.874,1228 1.832,1229 1.119,1230 1.849,1231 1.425,1232 1.351,1233 1.706,1234 1.676,1235 0.952,1236 1.667,1237 1.389,1238 1.315,1239 1.6,1240 1.617,1241 0.841,1242 1.631,1243 1.33,1244 1.261,1245 1.516,1246 1.536,1247 0.825,1248 1.548,1249 1.171,1250 1.084,1251 1.513,1252 1.442,1253 0.699,1254 1.44,1255 4.317,1257 5.673,1258 3.045,1259 7.206,1260 5.283,1261 8.818,1262 7.286,1263 10.473,1265 4.713,1270 11.227,1271 12.689,1276 5.038,1277 -0.131,1280 41.272,1281 99.49,1282 234.041,1283 318.129,1284 365.122,1285 377.122,1286 377.122,1287 54.659,1288 8.29,1289 73.21,1290 73.21,1291 28,1292 12.772,1293 4,1294 3.087,1295 48.288,1296 177,1297 132,1298 0.131,1299 250.402,1300 422.81,1301 602.741,1302 56670,1304 22.891,1305 0.694,1306 0.61,1307 22.891,1308 20.133,1309 15.891,1310 0.429,1311 0.338,1312 12.362,1313 15.323,1314 11.989,1315 9.928,1316 15.891,1317 12.514,1318 15.395,1319 0.285,1320 0.205,1321 15.395,1322 11.061,1323 12.257,1324 0.18,1325 0.113,1326 12.257,1327 7.673,1328 10.358,1329 0.116,1330 0.065,1331 10.358,1332 5.808,1333 7.819,1334 0.074,1335 0.038,1336 7.819,1337 4.068,1338 0.216,1339 99.103,1340 0.2,1341 31.449,1342 0.337,1343 182,1344 394.708,1345 195.953,1346 389.497,1347 543.18,1348 366,1349 213,1350 412.506,1351 229.008,1352 422.421,1353 612.49,1354 394,1355 9.187} {0 CHEMBL116314,1 1.466,2 16.25,3 2.708,4 7.335,5 129.84,6 6.702,7 0.457,8 4.254,9 4.396,10 3.726,11 3.749,12 5.272,13 3.716,14 4.814,15 5.01,16 4.053,17 4.152,18 5.751,19 4.087,20 5.098,21 5.338,22 4.087,23 4.3,24 5.985,25 4.197,26 5.133,27 5.371,28 3.98,29 4.297,30 6.021,31 4.162,32 5.144,33 5.416,34 3.879,35 4.218,36 5.99,37 4.057,38 5.043,39 5.325,40 3.753,41 4.1,42 5.857,43 3.94,44 4.914,45 5.188,46 3.685,47 3.998,48 5.758,49 3.848,50 4.886,51 5.165,52 3.617,53 3.907,54 5.77,55 3.767,56 0.073,57 0.97,58 15.32,59 5.739,60 11.675,61 8.358,62 0.26,63 1.532,64 27.865,65 9.618,66 23.799,67 14.315,68 0.408,69 1.834,70 37.967,71 12.667,72 41.821,73 18.82,74 0.373,75 1.824,76 39.247,77 13.739,78 49.966,79 20.038,80 0.521,81 1.741,82 40.279,83 13.913,84 58.392,85 20.487,86 0.533,87 1.573,88 36.613,89 11.865,90 51.431,91 18.062,92 0.325,93 1.411,94 31.78,95 10.555,96 39.542,97 16.017,98 0.389,99 1.297,100 31.507,101 10.002,102 49.195,103 14.878,104 12,105 47,106 0.234,107 0.565,108 0.738,109 0.824,110 0.853,111 0.853,112 3.501,113 0.981,114 -2.96,115 -2.97,116 -2.86,119 38.5,121 4,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 2,162 2,163 2,169 8,171 1,172 7,176 6,178 7,180 3,181 1,182 7,186 6,189 6,191 3,193 4,197 1,199 4,201 1,202 1,203 4,205 1,206 2,207 1,208 1,210 1,211 5,213 1,214 2,215 3,220 1,222 5,224 1,226 3,228 1,229 1,231 2,233 6,235 1,237 6,239 1,240 1,242 1,244 6,248 1,249 4,254 2,256 5,258 1,259 1864,260 22.007,261 22.007,262 22.007,263 22.007,264 22.007,265 19.996,266 26.21,267 13.267,268 22.436,269 17.245,270 17.245,271 17.245,272 17.245,273 17.245,274 14.131,275 29.047,276 6.234,277 17.924,278 4.556,279 2.482,280 1.398,281 0.862,282 0.677,283 0.677,284 4.201,288 1,289 1,290 1131,291 3.742,294 92.07,295 346.412,298 160.682,302 2.5,303 25.504,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 68.5,315 520,316 4.55,317 3.718,318 6.546,319 4.076,320 3.092,321 4.504,322 1.94,323 10.36,324 3.042,325 4.139,326 3.186,327 6.169,328 3.864,329 2.919,330 3.675,331 0.86,332 9.124,333 2.762,334 3.934,335 3.105,336 5.986,337 3.673,338 2.705,339 3.129,340 0.8,341 8.449,342 2.614,343 3.715,344 2.774,345 5.317,346 3.327,347 2.387,348 3.11,349 0.555,350 6.863,351 2.242,352 3.593,353 2.483,354 5.096,355 3.265,356 2.299,357 2.863,359 6.098,360 2.214,361 3.346,362 2.25,363 5.045,364 2.948,365 1.978,366 2.675,368 5.914,369 1.909,370 2.949,371 2.17,372 4.444,373 2.767,374 1.785,375 1.987,377 4.475,378 1.746,379 2.758,380 1.78,381 4.16,382 2.514,383 1.538,384 1.857,386 3.684,387 1.494,388 2.65,389 1.564,390 4.112,391 2.303,392 1.325,393 1.659,395 3.511,396 1.294,397 2.5,398 1.396,399 3.633,400 2.165,401 1.211,402 1.5,404 2.952,405 1.147,406 2.395,407 1.297,408 3.414,409 2.014,410 1.06,411 1.356,413 2.275,414 1.008,415 2.314,416 1.146,417 3.414,418 2,419 1,420 1.265,422 2.275,423 1,424 2.003,425 1.124,426 3.328,427 1.967,428 1,429 1,431 2.109,432 0.965,433 2,434 1,435 3.081,436 1.707,437 0.748,438 0.898,440 1.571,441 0.709,442 1.819,443 0.753,444 2.988,445 1.526,446 0.564,447 0.684,449 1.182,450 0.538,451 15.167,452 0.474,453 0.623,454 0.019,455 37.75,456 1.18,457 17,458 0.531,459 20.75,460 0.648,461 29.186,462 0.912,463 35.833,464 0.551,465 27.529,466 0.86,467 7.353,468 0.23,469 8.283,470 0.259,471 0.075,473 0.284,479 0.95,480 1.37,481 0.919,482 1.135,483 0.82,484 1.029,485 1.042,486 1.204,487 0.998,488 1.077,489 0.65,490 1.031,491 1.211,492 0.972,493 1.041,494 0.976,495 0.992,496 0.983,497 1.237,498 1.133,499 1.16,500 1.184,501 1.402,502 1.175,503 0.949,504 0.977,505 1.002,506 1.063,507 1.174,508 1.056,509 0.957,510 0.932,511 0.997,512 0.955,513 0.81,514 0.979,515 0.906,516 1.033,517 0.989,518 1.066,519 0.788,520 1.04,521 1.36,522 0.876,523 0.991,524 0.918,525 1.248,526 0.918,527 5.5,528 0.12,529 3.778,530 1.604,531 1.178,532 0.91,533 0.56,534 0.312,535 0.236,536 0.167,537 18008,538 40708,539 2.101,540 50.8,541 2,542 19,543 1,545 5,546 2,547 4,550 1.735,551 2,552 3.945,553 2.314,559 95.283,560 1.466,561 3.541,562 4.624,563 5.161,564 5.345,565 5.345,566 3.394,567 4.39,568 4.974,569 4.14,570 2053.37,571 8.642,572 33494.9,577 391.454,578 1.259,579 4.947,580 0.157,581 0.005,582 0.08,583 0.034,584 0.029,585 0.026,586 0.018,587 0.011,588 0.009,589 0.006,590 0.376,591 0.17,592 1,593 0.789,594 175.11,595 -0.069,596 -0.078,597 0.044,598 0.001,599 -0.077,600 0.035,601 -0.038,602 -0.042,603 -0.017,604 -0.02,605 0.021,606 -0.014,607 -0.117,608 0.07,609 -0.047,610 0.027,611 -0.061,612 0.006,613 -0.139,614 -0.136,615 -0.176,616 -0.158,617 -0.162,618 -0.171,619 0.088,620 -0.053,621 -0.018,622 -0.072,623 -0.038,624 -0.066,625 0.072,626 -0.003,627 -0.007,628 0.009,629 0.045,630 -0.005,631 0.028,632 -0.078,633 -0.01,634 -0.087,635 0.068,636 -0.055,637 -0.078,638 0.026,639 0.024,640 0.033,641 0.003,642 0.04,643 1.429,644 5.571,645 0.656,646 39.781,647 0.993,648 1.134,649 1.733,650 3.005,651 0.64,652 3.584,653 3.871,654 4.127,655 4.344,656 4.543,657 4.585,658 4.654,659 4.654,660 4.625,661 4.654,662 9.301,663 0.599,664 435.63,665 3.584,666 5.106,667 5.943,668 6.799,669 7.653,670 8.515,671 9.376,672 10.242,673 11.106,674 11.973,675 7.7,676 1,679 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,705 1,709 1,712 1,714 65,716 17,717 2,718 35,720 68,721 25,722 14,723 5,724 7,730 4,731 5,736 1,743 4,745 15,746 10,750 1,755 1,759 1,764 33,765 6,766 5,767 7,773 5,777 0.75,778 2,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 32,828 2,833 10,835 1,838 2,847 3.1,850 1,852 1,854 16,855 11.067,856 7.194,857 4.021,858 2.82,859 1.361,860 0.996,861 7.817,862 10.643,863 3.807,864 4.353,865 4.904,866 5.443,867 5.921,868 6.133,869 6.421,870 6.678,871 6.52,872 6.589,873 0.909,874 47,875 11.87,877 4.964,878 7.615,879 23.203,881 19.175,883 2.115,884 67.667,888 329.591,889 124.004,890 88.829,892 36.145,895 124.004,896 365.736,897 88.829,899 61.281,900 108.278,901 29.85,902 47.425,903 13.915,904 317.82,906 329.591,907 212.833,908 36.145,911 282.506,912 83.229,915 78.066,916 134.767,919 329.591,920 124.973,921 124.004,924 329.591,925 48.623,926 81.63,927 16.786,928 101.939,929 329.591,930 124.973,931 124.004,933 0.569,934 0.331,935 0.176,936 0.098,937 21,938 9,939 0.132,940 9,941 1,942 1.095,943 4.587,944 269.793,945 0.095,946 21,947 152,951 22.804,952 10.969,953 5.911,954 2.268,955 108.188,956 16.036,958 3.273,961 4.014,963 82.58,964 578.569,965 44,970 12.571,974 0.238,975 64.534,976 73.723,977 0.243,978 0.588,979 0.768,980 0.857,981 0.888,982 0.888,983 5.03,984 1.538,985 5.9,986 4.475,987 4.554,988 5.04,989 2.315,990 6.666,991 4.482,992 6.198,993 1.325,994 7.43,995 3.684,996 4.007,997 4.783,998 1.738,999 7.486,1000 3.896,1001 7.484,1002 1.211,1003 9.06,1004 3.511,1005 6.103,1006 7.196,1007 3.044,1008 10.559,1009 5.96,1010 8.806,1011 1.06,1012 10.751,1013 2.952,1014 6.415,1015 7.836,1016 3.144,1017 12.243,1018 6.237,1019 10.166,1020 1,1021 12.482,1022 2.275,1023 7.931,1024 9.706,1025 4.149,1026 14.807,1027 7.726,1028 11.55,1029 1,1030 14.24,1031 2.275,1032 8.648,1033 10.774,1034 4.541,1035 16.844,1036 8.414,1037 12.954,1038 0.748,1039 16.019,1040 2.109,1041 9.92,1042 12.425,1043 5.385,1044 19.237,1045 9.662,1046 3.092,1047 0.564,1048 17.813,1049 1.571,1050 10.835,1051 13.712,1052 5.912,1053 21.427,1054 10.551,1055 2.919,1056 10.36,1057 19.618,1058 1.182,1059 12.003,1060 15.271,1061 6.67,1062 23.761,1063 11.698,1064 2.705,1065 9.124,1066 21.432,1067 4.504,1068 13.014,1069 16.667,1070 7.263,1071 26.019,1072 12.687,1073 2.387,1074 8.449,1075 23.254,1076 3.675,1077 14.139,1078 18.189,1079 7.976,1080 28.336,1081 13.793,1082 2.299,1083 6.863,1084 25.082,1085 3.129,1086 15.197,1087 19.639,1088 8.602,1089 30.627,1090 14.833,1091 1.978,1092 6.098,1093 26.914,1094 3.11,1095 16.307,1096 21.146,1097 9.292,1098 32.942,1099 15.925,1100 1.785,1101 5.914,1102 28.752,1103 2.863,1104 17.389,1105 22.623,1106 9.936,1107 35.248,1108 16.99,1109 16907,1110 25528,1111 23.75,1112 41.597,1113 51.618,1114 52.502,1115 52.897,1116 51.26,1117 51.219,1118 64.326,1119 8.312,1120 141.686,1121 49.371,1122 5.55,1123 5.718,1124 6.315,1125 5.143,1126 5.092,1127 7.504,1128 3.348,1129 17.015,1130 5.042,1131 13.806,1132 1.475,1133 1.5,1134 1.511,1135 1.465,1136 1.463,1137 1.838,1138 0.237,1139 4.048,1140 1.411,1141 4.132,1142 4.165,1143 4.09,1144 4.045,1145 7.427,1146 4.053,1147 3.966,1148 4.014,1149 3.896,1150 3.857,1151 5.115,1152 3.861,1153 3.794,1154 3.843,1155 3.702,1156 3.634,1157 5.035,1158 3.641,1159 3.655,1160 3.716,1161 3.522,1162 3.488,1163 4.958,1164 3.486,1165 3.548,1166 3.62,1167 3.413,1168 3.407,1169 4.583,1170 3.4,1171 3.387,1172 3.448,1173 3.256,1174 3.149,1175 4.545,1176 3.165,1177 3.255,1178 3.321,1179 3.129,1180 3.047,1181 4.214,1182 3.056,1183 3.111,1184 3.206,1185 2.9,1186 2.941,1187 4.073,1188 2.91,1189 0.13,1190 0.106,1191 0.187,1192 0.116,1193 0.088,1194 4.55,1195 0.129,1196 3.718,1197 0.055,1198 6.546,1199 0.296,1200 4.076,1201 0.087,1202 3.092,1203 4.504,1204 1.94,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.047,1210 2.068,1211 1.322,1212 2.065,1213 1.919,1214 1.881,1215 2.025,1216 2.027,1217 1.259,1218 2.027,1219 1.755,1220 1.702,1221 1.953,1222 1.929,1223 1.22,1224 1.936,1225 1.651,1226 1.593,1227 1.87,1228 1.846,1229 1.027,1230 1.856,1231 1.629,1232 1.562,1233 1.847,1234 1.821,1235 1.014,1236 1.84,1237 1.304,1238 1.24,1239 1.546,1240 1.588,1241 0.825,1242 1.578,1243 1.248,1244 1.172,1245 1.513,1246 1.509,1247 0.778,1248 1.51,1249 1.153,1250 1.064,1251 1.509,1252 1.376,1253 0.555,1254 1.429,1255 4.263,1257 5.557,1258 2.398,1259 7.043,1260 4.727,1261 8.617,1262 6.823,1263 10.237,1269 11.464,1271 7.591,1273 5.93,1276 4.283,1280 38.912,1281 95.283,1282 230.145,1283 300.583,1284 335.454,1285 347.454,1286 347.454,1287 56.537,1288 7.823,1289 100.61,1290 100.61,1291 23,1292 12.519,1293 4.17,1294 3.322,1295 52.532,1296 184,1297 164,1298 0.135,1299 239.55,1300 410.38,1301 576.262,1302 33774,1304 22.338,1305 0.698,1306 0.58,1307 22.338,1308 18.555,1309 15.635,1310 0.447,1311 0.327,1312 11.304,1313 15.079,1314 11.101,1315 9.154,1316 15.635,1317 11.45,1318 13.539,1319 0.288,1320 0.177,1321 13.539,1322 8.325,1323 11.45,1324 0.188,1325 0.1,1326 11.45,1327 6.097,1328 9.183,1329 0.121,1330 0.056,1331 9.183,1332 4.235,1333 7.347,1334 0.079,1335 0.031,1336 7.347,1337 2.884,1338 0.226,1339 97.544,1340 0.205,1341 31.157,1342 0.337,1343 164,1344 415.719,1345 178.028,1346 403.215,1347 556.18,1348 380,1349 190,1350 410.964,1351 204.197,1352 414.785,1353 604.43,1354 393,1355 8.854} {0 CHEMBL116448,1 1.605,2 10.125,3 4.08,4 16.644,5 102.815,6 8.146,7 0.231,8 4,9 4.118,10 3.799,11 3.592,12 4.815,13 3.496,14 4.646,15 4.84,16 4.165,17 4.039,18 5.664,19 3.91,20 4.973,21 5.213,22 4.228,23 4.238,24 5.794,25 4.042,26 5.072,27 5.329,28 4.287,29 4.187,30 5.997,31 3.987,32 4.977,33 5.246,34 4.174,35 4.021,36 5.953,37 3.864,38 4.782,39 5.037,40 3.916,41 3.998,42 5.585,43 3.814,44 4.828,45 5.088,46 4.028,47 4.067,48 5.523,49 3.826,50 4.817,51 5.098,52 3.647,53 3.884,54 5.631,55 3.634,56 0.087,57 0.749,58 13.744,59 5.589,60 10.504,61 7.273,62 0.366,63 1.279,64 26.22,65 9.734,66 48.107,67 12.9,68 0.28,69 1.638,70 50.219,71 15,72 34.565,73 18.473,74 0.483,75 1.629,76 64.417,77 16.275,78 60.309,79 19.119,80 0.635,81 1.428,82 54.507,83 12.634,84 81.127,85 16.322,86 0.391,87 1.295,88 32.485,89 10.922,90 39.142,91 14.744,92 0.209,93 1.335,94 49.504,95 13.816,96 20.823,97 17.076,98 0.38,99 1.188,100 58.294,101 12.985,102 46.789,103 15.614,104 17,105 37,106 0.274,107 0.494,108 0.696,109 0.808,110 0.845,111 0.845,112 3.228,113 1.292,114 -4.47,115 -4.4,116 -4.15,117 1,119 35.3,120 1,121 5,122 1,125 4,127 1,140 4,142 2,169 6,171 3,172 6,178 9,182 7,189 3,192 1,193 11,199 3,203 7,211 7,214 2,215 2,222 6,226 3,233 9,237 6,244 2,249 4,256 5,259 838,260 15.841,261 15.841,262 15.841,263 15.841,264 15.841,265 14.825,266 20.492,267 9.264,268 16.325,269 12.813,270 12.813,271 12.813,272 12.813,273 12.813,274 11.229,275 28.12,276 4.386,277 13.671,278 4.067,279 2.777,280 1.598,281 0.937,282 0.721,283 0.721,284 3.903,288 1,289 1,290 516,291 3.317,294 71.268,295 160.43,302 1.479,303 26.828,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 50.75,315 243,316 4.949,317 4.731,318 7.725,319 4.477,320 3.552,321 4.767,322 0.8,323 13.917,324 3.264,325 3.894,326 2.99,327 6.065,328 3.622,329 2.676,330 3.421,331 0.4,332 8.405,333 2.533,334 3.654,335 2.861,336 5.416,337 3.526,338 2.576,339 2.69,341 7.146,342 2.444,343 3.537,344 2.789,345 5.2,346 3.232,347 2.318,348 2.569,350 6.381,351 2.088,352 3.093,353 2.199,354 4.891,355 3.036,356 2.083,357 2.163,359 5.685,360 1.964,361 2.979,362 1.757,363 4.72,364 2.492,365 1.562,366 2.073,368 4.496,369 1.366,370 2.615,371 1.419,372 3.949,373 2.275,374 1.298,375 1.661,377 3.122,378 1.25,379 2.322,380 1.222,381 3.495,382 2.12,383 1.132,384 1.312,386 2.54,387 1.1,388 2,389 1.077,390 3.436,391 1.984,392 1,393 1,395 2.275,396 0.983,397 1.931,398 0.903,399 3.414,400 1.754,401 0.787,402 0.868,404 2.049,405 0.758,406 1.583,407 0.705,408 3.104,409 1.557,410 0.583,411 0.583,413 1.36,414 0.566,415 1,416 0.187,417 2.798,418 0.813,419 -0.173,420 -0.174,422 -0.38,423 -0.171,424 0.943,425 0.07,426 2.484,427 0.398,428 -0.403,429 -0.509,431 -0.895,432 -0.21,433 0.831,434 -0.123,435 2.268,436 0.171,437 -0.771,438 -0.83,440 -2.08,441 -0.693,442 0.677,443 -0.72,444 2,445 0.155,446 -0.822,447 -1,449 -2.181,450 -0.802,451 12.633,452 0.526,453 0.708,454 0.029,455 23.75,456 0.99,457 9,458 0.375,459 14.75,460 0.615,461 27.751,462 1.156,463 27.567,464 0.541,465 13.864,466 0.578,467 3.515,468 0.146,469 7.949,470 0.331,471 0.198,472 0.066,473 0.222,479 0.469,480 1.541,481 0.571,482 1.172,483 0.606,484 1.083,485 0.698,486 1.13,487 0.575,488 0.835,489 0.471,490 0.967,491 0.9,492 1.13,493 0.857,494 1.091,495 0.656,496 1.047,497 1.354,498 1.011,499 0.635,500 0.951,501 1.515,502 0.932,503 1.437,504 0.874,505 0.716,506 0.82,507 1.664,508 0.811,509 0.905,510 0.896,511 0.523,512 0.721,513 0.902,514 0.944,515 0.611,516 1.121,517 1.158,518 1.162,519 0.462,520 1.123,521 1.231,522 0.931,523 1.417,524 1.122,525 1.272,526 1.023,527 6,528 0.082,529 3.556,530 1.875,531 1.512,532 0.636,533 0.416,534 0.377,535 0.182,536 0.156,537 6227,538 14418,539 2.03,540 52.9,541 4,542 13,547 8,548 2,550 1.669,551 1.882,552 3.302,553 -0.74,555 1,559 81.853,560 1.605,561 2.895,562 4.075,563 4.736,564 4.952,565 4.952,566 2.757,567 4.335,568 4.555,569 3.449,570 951.908,571 7.863,572 11125.7,574 1,576 1,577 289.294,578 1.601,579 4.498,580 0.231,581 0.006,582 0.096,583 0.052,584 0.046,585 0.021,586 0.015,587 0.015,588 0.01,589 0.01,590 0.502,591 0.33,592 1,593 0.622,594 113.989,595 0.169,596 -0.236,597 0.063,598 -0.086,599 -0.104,600 0.001,601 0.232,602 0.045,603 0.04,604 0.07,605 0.276,606 0.007,607 -0.041,608 -0.05,609 -0.031,610 -0.06,611 0.071,612 -0.054,613 -0.065,614 -0.035,615 0.057,616 0.009,617 -0.048,618 0.01,619 -0.019,620 0.045,621 0.069,622 0.045,623 -0.052,624 0.099,625 -0.005,626 0.114,627 0.028,628 0.088,629 -0.063,630 -0.009,631 0.012,632 -0.136,633 -0.041,634 -0.106,635 0.025,636 -0.097,637 -0.124,638 -0.041,639 -0.136,640 -0.083,641 -0.093,642 -0.043,643 4.304,644 5.983,645 0.708,646 20.069,647 0.993,648 1.129,649 3.241,650 10.507,651 0.663,652 3.296,653 3.638,654 3.871,655 4.078,656 4.22,657 4.159,658 4.205,659 4.22,660 4.277,661 4.317,662 5.918,663 0.599,664 415.44,665 3.296,666 4.844,667 5.687,668 6.569,669 7.434,670 8.32,671 9.196,672 10.085,673 10.967,674 11.858,675 3.9,678 2,688 4,693 2,695 6,713 1,714 51,716 8,717 1,718 26,719 1,720 53,721 18,722 6,723 2,724 4,730 3,731 3,736 1,740 5,741 1,743 6,745 6,746 12,747 1,750 2,753 1,755 2,761 1,764 27,765 4,767 6,768 2,773 2,777 1,778 2,789 1,792 1,793 2,815 1,819 3,821 1,822 1,823 1,827 24,830 1,833 9,837 2,838 2,846 1,847 3.9,850 2,854 12.75,855 9.043,856 5.194,857 3.438,858 1.045,859 1.152,860 0.963,861 6.02,862 7.907,863 3.466,864 3.998,865 4.385,866 4.776,867 5.158,868 5.121,869 5.347,870 5.084,871 5.207,872 5.256,873 0.857,874 36,875 9.203,877 4.132,878 7.632,879 17.983,881 15.691,883 2.132,884 51.167,885 0.001,886 1,887 1,888 317.82,889 78.239,890 50.597,892 44.313,894 5.807,895 118.386,896 362.133,897 4.643,898 8.825,899 21.095,900 43.712,901 44.313,902 9.249,904 317.82,905 45.954,906 317.82,907 77.074,908 44.313,909 5.807,910 45.954,911 200.109,912 162.024,915 34.564,916 42.511,917 5.807,918 45.954,919 317.82,920 48.956,921 124.193,923 5.807,924 317.82,925 25.701,926 51.373,927 45.954,928 44.313,929 317.82,930 48.956,931 124.193,933 0.59,934 0.34,935 0.173,936 0.092,937 18,938 8,939 0.094,940 5,942 1,943 3.573,944 192.176,946 17,947 104.039,950 1,951 18.378,952 7.861,953 4.419,955 48.956,956 7.049,961 1.206,964 490.969,965 31,968 -3.387,970 25.965,975 50.651,976 57.575,977 0.283,978 0.51,979 0.718,980 0.835,981 0.873,982 0.873,983 4.741,984 1.132,985 5.714,986 3.122,987 4.317,988 4.682,989 0.824,990 6.578,991 4.191,992 5.938,993 1,994 7.319,995 2.54,996 4.111,997 4.82,998 0.325,999 7.888,1000 3.834,1001 7.282,1002 0.787,1003 9.051,1004 2.275,1005 6.009,1006 6.911,1007 0.413,1008 10.975,1009 5.738,1010 8.674,1011 0.583,1012 10.868,1013 2.049,1014 6.648,1015 7.942,1016 0.268,1017 13.189,1018 6.228,1019 10.115,1020 -0.173,1021 12.745,1022 1.36,1023 8.084,1024 9.643,1025 0.246,1026 15.937,1027 7.645,1028 11.591,1029 -0.403,1030 14.666,1031 -0.38,1032 9.086,1033 11.011,1034 0.188,1035 18.442,1036 8.514,1037 13.096,1038 -0.771,1039 16.618,1040 -0.895,1041 10.382,1042 12.61,1043 0.157,1044 21.109,1045 9.76,1046 3.552,1047 -0.822,1048 18.595,1049 -2.08,1050 11.538,1051 14.098,1052 0.125,1053 23.701,1054 10.802,1055 2.676,1056 13.917,1057 20.59,1058 -2.181,1059 12.799,1060 15.67,1061 0.102,1062 26.346,1063 11.992,1064 2.576,1065 8.405,1066 22.598,1067 4.767,1068 14.018,1069 17.202,1070 0.082,1071 28.965,1072 13.11,1073 2.318,1074 7.146,1075 24.615,1076 3.421,1077 15.274,1078 18.766,1079 0.067,1080 31.602,1081 14.286,1082 2.083,1083 6.381,1084 26.639,1085 2.69,1086 16.52,1087 20.315,1088 0.054,1089 34.231,1090 15.438,1091 1.562,1092 5.685,1093 28.668,1094 2.569,1095 17.779,1096 21.877,1097 0.043,1098 36.865,1099 16.613,1100 1.298,1101 4.496,1102 30.702,1103 2.163,1104 19.036,1105 23.433,1106 0.035,1107 39.497,1108 17.781,1109 6091,1110 9550,1111 16.989,1112 33.819,1113 38.882,1114 39.865,1115 40.215,1116 39.419,1117 39.133,1118 46.214,1119 2.4,1120 114.754,1121 36.634,1122 5.949,1123 6.731,1124 7.275,1125 5.547,1126 5.552,1127 7.767,1128 1.2,1129 22.226,1130 5.264,1131 12.139,1132 1.495,1133 1.533,1134 1.547,1135 1.516,1136 1.505,1137 1.777,1138 0.092,1139 4.414,1140 1.409,1141 4.112,1142 4.105,1143 6.88,1144 4.093,1145 7.715,1146 4.005,1147 3.889,1148 3.945,1149 4.742,1150 3.761,1151 6.999,1152 3.752,1153 3.794,1154 3.843,1155 3.77,1156 3.695,1157 4.711,1158 3.674,1159 3.521,1160 3.528,1161 3.64,1162 3.465,1163 4.386,1164 3.373,1165 3.405,1166 3.448,1167 3.536,1168 3.239,1169 4.243,1170 3.22,1171 3.119,1172 3.22,1173 3.232,1174 2.941,1175 3.915,1176 2.91,1177 3.111,1178 3.206,1179 2.878,1180 2.922,1181 3.771,1182 2.898,1183 2.87,1184 2.915,1185 2.866,1186 2.858,1187 3.569,1188 2.785,1189 0.19,1190 0.182,1191 0.297,1192 0.172,1193 0.137,1194 4.949,1195 0.183,1196 4.731,1197 0.031,1198 7.725,1199 0.535,1200 4.477,1201 0.126,1202 3.552,1203 4.767,1204 0.8,1205 13.917,1206 3.264,1207 1.958,1208 1.97,1209 2.085,1210 2.051,1211 1.451,1212 2.074,1213 1.867,1214 1.806,1215 1.946,1216 2.005,1217 1.313,1218 2.043,1219 1.674,1220 1.624,1221 1.91,1222 1.827,1223 1.209,1224 1.858,1225 1.564,1226 1.53,1227 1.776,1228 1.738,1229 1.073,1230 1.77,1231 1.364,1232 1.323,1233 1.583,1234 1.57,1235 0.843,1236 1.605,1237 1.168,1238 1.104,1239 1.513,1240 1.378,1241 0.825,1242 1.433,1243 1.153,1244 1.064,1245 1.397,1246 1.376,1247 0.657,1248 1.429,1249 0.952,1250 0.862,1251 1.128,1252 1.195,1253 0.425,1254 1.243,1255 3.97,1257 5.303,1258 2.398,1259 6.828,1260 4.595,1261 8.439,1262 6.605,1263 10.098,1264 3.376,1265 2.32,1271 9.417,1275 0.981,1276 4.24,1280 30.533,1281 81.853,1282 147.642,1283 207.81,1284 241.519,1285 252.539,1286 252.539,1287 53.491,1288 6.862,1289 40.62,1290 49,1291 17,1292 12.388,1293 3.17,1294 2.585,1295 39.28,1296 83,1297 95,1298 0.229,1299 197.096,1300 341.43,1301 472.674,1302 8402,1303 2,1304 17.156,1305 0.715,1306 0.697,1307 18.406,1308 16.728,1309 11.464,1310 0.441,1311 0.431,1312 9.054,1313 9.814,1314 8.66,1315 7.143,1316 12.83,1317 11.197,1318 10.791,1319 0.292,1320 0.27,1321 12.907,1322 9.988,1323 8.684,1324 0.185,1325 0.166,1326 10.534,1327 7.822,1328 6.842,1329 0.118,1330 0.105,1331 8.655,1332 6.115,1333 5.276,1334 0.079,1335 0.068,1336 7.099,1337 4.542,1338 0.357,1339 87.172,1340 0.243,1341 23.421,1342 0.635,1343 126,1344 314.276,1345 240.895,1346 359.746,1347 475.04,1348 330,1349 147,1350 290.232,1351 234.273,1352 343.191,1353 502.96,1354 322,1355 6.3} {0 CHEMBL116876,1 1.492,2 13.188,3 5.222,4 27.268,5 132.524,6 7.138,7 0.444,8 4.229,9 4.346,10 3.906,11 3.833,12 5.151,13 3.766,14 4.829,15 5.01,16 4.245,17 4.275,18 5.882,19 4.187,20 5.096,21 5.298,22 4.292,23 4.463,24 6.017,25 4.323,26 5.244,27 5.476,28 4.165,29 4.44,30 6.231,31 4.287,32 5.163,33 5.43,34 4.069,35 4.331,36 6.039,37 4.183,38 4.988,39 5.215,40 4.056,41 4.297,42 5.84,43 4.15,44 5.049,45 5.299,46 3.933,47 4.241,48 5.94,49 4.08,50 4.915,51 5.171,52 3.814,53 4.114,54 5.773,55 3.945,56 0.109,57 0.935,58 17.335,59 6.487,60 14.225,61 8.494,62 0.397,63 1.596,64 29.323,65 11.062,66 50.602,67 14.925,68 0.236,69 2.006,70 43.096,71 16.303,72 35.546,73 20.823,74 0.439,75 2.119,76 49.168,77 17.816,78 81.553,79 23.057,80 0.417,81 1.927,82 42.529,83 15.783,84 62.745,85 21.621,86 0.189,87 1.771,88 36.04,89 13.901,90 30.895,91 18.828,92 0.363,93 1.796,94 38.972,95 13.752,96 55.26,97 18.714,98 0.274,99 1.542,100 33.563,101 12.728,102 41.011,103 17.272,104 17,105 53,106 0.237,107 0.571,108 0.797,109 0.866,110 0.866,111 0.866,112 3.502,113 1.077,114 -4.42,115 -4.35,116 -4.1,119 41.3,120 1,121 4,124 1,125 3,127 1,134 1,135 1,140 7,141 4,142 1,149 1,150 1,169 15,171 3,172 5,176 3,178 18,182 8,186 3,189 17,193 12,197 1,199 10,203 8,206 1,208 2,211 10,215 9,220 3,222 11,226 7,233 10,237 7,240 1,244 13,249 2,256 12,259 1726,260 21.513,261 21.513,262 21.513,263 21.513,264 21.513,265 19.145,266 22.332,267 12.273,268 21.882,269 17.729,270 17.729,271 17.729,272 17.729,273 17.729,274 14.061,275 22.377,276 5.785,277 18.337,278 4.485,279 2.388,280 0.971,281 0.532,282 0.532,283 0.532,284 4.207,289 1,290 936,291 3.464,294 170.452,295 306.293,298 140.364,302 2.074,303 28.924,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 422,316 4.932,317 4.726,318 7.666,319 4.435,320 3.512,321 4.759,322 0.8,323 13.611,324 3.218,325 4.571,326 3.24,327 6.578,328 4.12,329 3.133,330 4.515,331 0.657,332 10.484,333 3.094,334 4.107,335 3.055,336 6.115,337 3.797,338 2.829,339 3.553,341 8.955,342 2.756,343 3.853,344 2.92,345 6.022,346 3.675,347 2.704,348 3.407,350 8.562,351 2.607,352 3.816,353 2.602,354 5.588,355 3.433,356 2.438,357 2.892,359 6.8,360 2.427,361 3.359,362 2.438,363 5.111,364 3.007,365 2.043,366 2.618,368 5.938,369 1.969,370 3.239,371 2.132,372 5.01,373 2.895,374 1.928,375 2.445,377 5.796,378 1.853,379 3.063,380 1.7,381 4.503,382 2.561,383 1.572,384 2.257,386 4.478,387 1.553,388 2.736,389 1.461,390 4.233,391 2.319,392 1.345,393 1.811,395 3.727,396 1.308,397 2.603,398 1.448,399 4.123,400 2.206,401 1.244,402 1.555,404 3.456,405 1.193,406 2.5,407 1.331,408 3.956,409 2.11,410 1.135,411 1.5,413 3.029,414 1.104,415 2.337,416 1.227,417 3.417,418 2.052,419 1.072,420 1.312,422 2.383,423 1.049,424 2.138,425 1.138,426 3.414,427 2,428 1,429 1.12,431 2.275,432 1,433 2.079,434 1,435 3.414,436 1.984,437 1,438 1.04,440 2.275,441 0.983,442 2.02,443 0.742,444 3.256,445 1.619,446 0.657,447 0.892,449 1.605,450 0.63,451 15.7,452 0.491,453 0.93,454 0.029,455 38.75,456 1.211,457 18.5,458 0.578,459 20.25,460 0.633,461 31.095,462 0.972,463 34.7,464 0.551,465 29.598,466 0.925,467 7.138,468 0.223,469 8.276,470 0.259,471 0.106,472 0.053,473 0.306,479 0.545,480 1.349,481 0.869,482 1.204,483 0.637,484 1.006,485 0.765,486 0.983,487 0.85,488 0.852,489 0.516,490 0.887,491 0.902,492 1.171,493 1.265,494 1.262,495 0.724,496 1.13,497 1.435,498 1.068,499 1.173,500 1.11,501 1.598,502 1.085,503 1.104,504 0.822,505 0.745,506 0.748,507 1.261,508 0.829,509 0.67,510 1.207,511 1.033,512 1.151,513 0.489,514 1.119,515 1.225,516 0.995,517 1.074,518 0.985,519 1.062,520 1.053,521 0.902,522 0.979,523 0.916,524 0.974,525 0.909,526 1.024,527 7.5,528 0.225,529 5.333,530 2.549,531 1.368,532 1.271,533 0.768,534 0.486,535 0.329,536 0.258,537 15628,538 33604,539 2.127,540 49.2,541 3,542 18,543 1,545 1,547 8,550 1.742,551 1.99,552 3.656,553 -0.403,559 94.022,560 1.492,561 3.59,562 5.006,563 5.445,564 5.445,565 5.445,566 3.133,567 4.453,568 4.971,569 3.853,570 1911.19,571 8.677,572 28172.6,577 376.569,578 1.54,579 4.926,580 0.208,581 0.008,582 0.101,583 0.048,584 0.03,585 0.029,586 0.018,587 0.014,588 0.01,589 0.009,590 0.474,591 0.17,592 0.88,593 0.531,594 169.366,595 0.153,596 -0.149,597 0.217,598 -0.056,599 -0.119,600 0.031,601 0.224,602 0.149,603 0.105,604 0.136,605 0.254,606 0.087,607 -0.045,608 -0.096,609 -0.116,610 -0.141,611 0.059,612 -0.113,613 -0.144,614 -0.101,615 -0.14,616 -0.103,617 -0.091,618 -0.106,619 -0.033,620 0.1,621 0.117,622 0.152,623 -0.088,624 0.14,626 -0.177,627 -0.072,628 -0.145,629 0.031,630 -0.116,631 -0.161,632 0.007,633 -0.126,634 -0.045,635 -0.065,636 -0.092,637 -0.006,638 -0.024,639 -0.004,640 -0.026,642 -0.039,643 4.373,644 6.006,645 0.813,646 35.121,647 0.991,648 1.121,649 3.189,650 10.172,651 0.67,652 3.611,653 3.989,654 4.29,655 4.522,656 4.718,657 4.868,658 5.037,659 5.142,660 5.247,661 5.434,662 7.677,663 0.62,664 449.67,665 3.611,666 5.187,667 6.061,668 6.957,669 7.846,670 8.745,671 9.638,672 10.538,673 11.434,674 12.336,675 4.8,678 2,683 1,687 2,688 8,690 1,693 4,695 16,714 63,716 19,717 2,718 36,720 67,721 26,722 14,723 5,724 7,725 2,730 5,731 6,736 1,740 4,743 5,745 16,746 10,750 3,753 1,755 2,757 1,759 1,764 31,765 4,766 1,767 6,768 1,773 3,777 0.8,778 2,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 2,827 32,830 1,833 7,837 1,838 2,847 3.2,850 2,854 16.083,855 11.733,856 6.778,857 3.947,858 3.348,859 1.402,860 1.024,861 5.81,862 11.666,863 3.871,864 4.519,865 5.087,866 5.622,867 6.129,868 6.506,869 6.9,870 7.216,871 7.424,872 7.813,873 0.889,874 53,875 12.141,877 5.49,878 7.591,879 23.629,881 20.7,883 2.091,884 66.917,888 353.133,889 143.352,890 21.428,892 44.313,894 5.807,895 137.544,896 397.446,897 21.428,898 17.222,899 16.455,900 90.665,901 44.313,902 38.294,903 13.915,904 341.362,906 353.133,907 158.973,908 44.313,909 5.807,911 258.964,912 138.482,915 46.709,916 102.788,917 15.284,919 353.133,920 65.741,921 143.352,923 5.807,924 353.133,925 35.465,926 106.722,927 16.786,928 44.313,929 353.133,930 65.741,931 143.352,933 0.6,934 0.357,935 0.179,936 0.091,937 28,938 12,939 0.075,940 5,941 1,942 1.077,943 4.345,944 302.28,945 0.077,946 26,947 154,950 1,951 21.604,952 8.605,953 4.24,954 2.461,955 48.956,956 15.858,958 3.431,961 4.005,963 16.786,964 562.226,965 47,968 -3.456,970 26.012,972 2.077,974 1.229,975 62.407,976 70.647,977 0.25,978 0.601,979 0.838,980 0.911,981 0.911,982 0.911,983 5.147,984 1.572,985 6.089,986 5.796,987 4.673,988 5.207,989 1.038,990 6.967,991 4.606,992 6.387,993 1.345,994 7.702,995 4.478,996 4.443,997 5.286,998 0.325,999 8.189,1000 4.302,1001 7.743,1002 1.244,1003 9.429,1004 3.727,1005 6.375,1006 7.529,1007 0.607,1008 11.266,1009 6.22,1010 9.144,1011 1.135,1012 11.229,1013 3.456,1014 6.986,1015 8.464,1016 0.268,1017 13.365,1018 6.738,1019 10.584,1020 1.072,1021 13.079,1022 3.029,1023 8.426,1024 10.239,1025 0.359,1026 16.056,1027 8.155,1028 12.051,1029 1,1030 14.966,1031 2.383,1032 9.389,1033 11.526,1034 0.188,1035 18.474,1036 9.021,1037 13.541,1038 1,1039 16.88,1040 2.275,1041 10.667,1042 13.145,1043 0.214,1044 21.082,1045 10.255,1046 3.512,1047 0.657,1048 18.817,1049 2.275,1050 11.779,1051 14.578,1052 0.125,1053 23.615,1054 11.273,1055 3.133,1056 13.611,1057 20.771,1058 1.605,1059 13.009,1060 16.144,1061 0.129,1062 26.21,1063 12.442,1064 2.829,1065 10.484,1066 22.739,1067 4.759,1068 14.185,1069 17.639,1070 0.082,1071 28.787,1072 13.527,1073 2.704,1074 8.955,1075 24.72,1076 4.515,1077 15.406,1078 19.187,1079 0.079,1080 31.385,1081 14.674,1082 2.438,1083 8.562,1084 26.71,1085 3.553,1086 16.613,1087 20.709,1088 0.054,1089 33.98,1090 15.791,1091 2.043,1092 6.8,1093 28.708,1094 3.407,1095 17.837,1096 22.253,1097 0.048,1098 36.583,1099 16.934,1100 1.928,1101 5.938,1102 30.713,1103 2.892,1104 19.06,1105 23.787,1106 0.035,1107 39.185,1108 18.066,1109 14475,1110 21448,1111 24.156,1112 42.233,1113 55.539,1114 56.3,1115 56.527,1116 55.26,1117 55.223,1118 71.352,1119 2.915,1120 166.752,1121 53.485,1122 5.87,1123 6.726,1124 7.185,1125 5.483,1126 5.512,1127 7.759,1128 1.457,1129 21.573,1130 5.218,1131 15.203,1132 1.543,1133 1.564,1134 1.57,1135 1.535,1136 1.534,1137 1.982,1138 0.081,1139 4.632,1140 1.486,1141 4.167,1142 4.194,1143 4.743,1144 4.112,1145 7.715,1146 4.089,1147 4.076,1148 4.067,1149 4.103,1150 4.04,1151 6.999,1152 3.981,1153 3.861,1154 3.923,1155 3.756,1156 3.738,1157 4.966,1158 3.732,1159 3.795,1160 3.843,1161 3.722,1162 3.676,1163 4.704,1164 3.669,1165 3.592,1166 3.583,1167 3.641,1168 3.528,1169 4.471,1170 3.465,1171 3.343,1172 3.389,1173 3.242,1174 3.236,1175 4.371,1176 3.217,1177 3.136,1178 3.249,1179 2.957,1180 2.94,1181 4.13,1182 2.933,1183 3.115,1184 3.2,1185 2.874,1186 2.899,1187 3.826,1188 2.877,1189 0.137,1190 0.131,1191 0.213,1192 0.123,1193 0.098,1194 4.932,1195 0.132,1196 4.726,1197 0.022,1198 7.666,1199 0.378,1200 4.435,1201 0.089,1202 3.512,1203 4.759,1204 0.8,1205 13.611,1206 3.218,1207 2.014,1208 2.007,1209 2.088,1210 2.095,1211 1.363,1212 2.121,1213 1.959,1214 1.949,1215 2.024,1216 2.02,1217 1.304,1218 2.04,1219 1.758,1220 1.719,1221 1.929,1222 1.894,1223 1.188,1224 1.911,1225 1.687,1226 1.636,1227 1.862,1228 1.867,1229 1.133,1230 1.872,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.054,1236 1.795,1237 1.433,1238 1.443,1239 1.627,1240 1.636,1241 0.76,1242 1.645,1243 1.398,1244 1.333,1245 1.526,1246 1.544,1247 0.744,1248 1.595,1249 1.104,1250 1.029,1251 1.434,1252 1.319,1253 0.674,1254 1.359,1255 4.29,1257 5.652,1258 3.045,1259 7.204,1260 5.352,1261 8.836,1262 7.38,1263 10.51,1265 4.187,1271 6.447,1275 0.618,1276 4.048,1280 39.056,1281 94.022,1282 226.149,1283 315.407,1284 343.059,1285 343.059,1286 343.059,1287 57.566,1288 8.318,1289 56.41,1290 64.79,1291 28,1292 12.858,1293 4.322,1294 3.585,1295 45.931,1296 149,1297 150,1298 0.15,1299 239.291,1300 411.83,1301 575.631,1302 52968,1304 22.294,1305 0.697,1306 0.614,1307 22.544,1308 19.659,1309 15.414,1310 0.428,1311 0.359,1312 11.5,1313 14.25,1314 11.027,1315 9.121,1316 16.203,1317 12.921,1318 14.628,1319 0.276,1320 0.21,1321 15.947,1322 11.148,1323 12.806,1324 0.178,1325 0.125,1326 14.147,1327 8.975,1328 10.234,1329 0.112,1330 0.07,1331 11.312,1332 6.409,1333 7.844,1334 0.071,1335 0.04,1336 8.758,1337 4.486,1338 0.24,1339 103.036,1340 0.203,1341 30.136,1342 0.401,1343 178,1344 421.955,1345 228.412,1346 437.081,1347 608.23,1348 406,1349 214,1350 429.118,1351 273.004,1352 478.384,1353 702.08,1354 449,1355 9.097} {0 CHEMBL1169435,1 1.534,2 13.387,3 3.526,4 12.432,5 120.854,6 7.36,7 0.457,8 4.148,9 4.268,10 3.709,11 3.711,12 5.214,13 3.689,14 4.718,15 4.883,16 4.09,17 4.144,18 5.776,19 4.1,20 5.002,21 5.203,22 4.168,23 4.314,24 6.015,25 4.233,26 5.084,27 5.305,28 4.079,29 4.316,30 6.062,31 4.203,32 5.106,33 5.373,34 3.903,35 4.229,36 5.915,37 4.079,38 5.006,39 5.276,40 3.851,41 4.088,42 5.852,43 3.963,44 4.882,45 5.13,46 3.773,47 3.999,48 5.872,49 3.885,50 4.8,51 5.062,52 3.545,53 3.924,54 5.687,55 3.767,56 0.033,57 0.887,58 11.83,59 5.418,60 9.606,61 6.947,62 0.212,63 1.472,64 22.979,65 9.449,66 29.843,67 12.318,68 0.343,69 1.885,70 32.472,71 12.973,72 47.216,73 17.115,74 0.343,75 1.99,76 36.037,77 14.235,78 55.081,79 18.997,80 0.33,81 1.872,82 38.763,83 14.405,84 53.135,85 20.334,86 0.398,87 1.679,88 35.642,89 12.245,90 53.784,91 17.317,92 0.547,93 1.565,94 31.369,95 10.847,96 70.88,97 14.627,98 0.407,99 1.451,100 28.901,101 10.554,102 56.272,103 14.461,104 11,105 50,106 0.249,107 0.632,108 0.836,109 0.903,110 0.903,111 0.903,112 3.471,113 0.927,114 -4.25,115 -4.19,116 -3.96,119 43.9,121 3,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 14,172 7,173 1,174 1,176 3,178 16,180 1,182 5,186 5,189 12,191 2,192 1,193 6,197 5,199 10,201 2,203 6,208 2,211 5,213 2,215 6,218 1,222 5,225 1,226 4,228 1,229 1,231 1,233 6,235 1,237 2,242 1,244 10,248 1,249 1,251 1,252 1,256 9,259 1545,260 21.223,261 21.223,262 21.223,263 21.223,264 21.223,265 18.956,266 21.562,267 12.308,268 21.551,269 17.259,270 17.259,271 17.259,272 17.259,273 17.259,274 13.777,275 22.352,276 5.787,277 17.801,278 4.299,279 1.945,280 0.693,281 0.281,282 0.281,283 0.281,284 4.183,288 1,289 1,290 925,291 3.162,294 69.606,295 344.706,298 131.253,299 141.692,302 2.052,303 31.309,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 415,316 4.646,317 3.522,318 6.799,319 4.188,320 3.205,321 4.6,322 1.151,323 11.189,324 3.15,325 4.384,326 3.369,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 4.007,335 3.323,336 6.017,337 3.659,338 2.687,339 3.435,340 0.916,341 8.484,342 2.635,343 3.931,344 3.013,345 5.903,346 3.623,347 2.632,348 3.265,349 0.172,350 8.139,351 2.573,352 3.522,353 2.721,354 5.37,355 3.315,356 2.377,357 2.719,359 6.968,360 2.222,361 3.255,362 2.472,363 5.147,364 2.974,365 2.003,366 2.364,368 6.016,369 1.935,370 3.115,371 2.188,372 5.001,373 2.78,374 1.821,375 2.32,377 5.468,378 1.734,379 3.047,380 1.979,381 4.191,382 2.53,383 1.569,384 2.196,386 3.823,387 1.507,388 2.881,389 1.792,390 4.118,391 2.521,392 1.548,393 1.966,395 3.673,396 1.498,397 2.609,398 1.549,399 4.046,400 2.184,401 1.182,402 1.597,404 3.088,405 1.171,406 2.563,407 1.423,408 3.783,409 2.099,410 1.127,411 1.549,413 2.829,414 1.089,415 2.239,416 1.265,417 3.446,418 1.984,419 1,420 1.191,422 2.382,423 0.983,424 2.202,425 1.136,426 3.414,427 1.973,428 1,429 1.091,431 2.275,432 0.967,433 2.055,434 0.963,435 3.299,436 1.721,437 0.786,438 1.021,440 1.845,441 0.728,442 1.66,443 0.756,444 3.144,445 1.508,446 0.544,447 0.597,449 1.323,450 0.521,451 14.652,452 0.473,453 0.747,454 0.024,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 28.506,462 0.92,463 33.348,464 0.585,465 27.68,466 0.893,467 7.343,468 0.237,469 7.754,470 0.25,471 0.07,473 0.369,477 1,479 0.707,480 1.062,481 0.78,482 1.004,483 0.594,484 0.916,485 0.863,486 0.972,487 0.898,488 0.968,489 0.516,490 0.941,491 0.917,492 0.981,493 0.984,494 1.041,495 0.751,496 1.033,497 0.902,498 1.12,499 1.097,500 1.189,501 0.847,502 1.186,503 0.694,504 0.953,505 0.958,506 1.064,507 0.614,508 1.061,509 0.856,510 0.862,511 0.932,512 0.93,513 0.664,514 0.939,515 1.129,516 0.962,517 1.104,518 0.958,519 1.125,520 1.012,521 0.972,522 0.938,523 1.145,524 1.051,525 1.05,526 1.117,527 5.5,528 0.144,529 4.222,530 1.91,531 1.712,532 0.966,533 0.573,534 0.346,535 0.232,536 0.218,537 15172,538 39685,539 2.16,540 45.6,542 16,543 1,545 3,547 4,548 2,550 1.73,551 2.044,552 3.675,553 0.812,555 1,559 87.412,560 1.534,561 3.888,562 5.14,563 5.552,564 5.552,565 5.552,566 3.127,567 4.632,568 4.928,569 3.884,570 1806.04,571 8.568,572 26673.7,574 1,577 332.475,578 1.332,579 4.896,580 0.157,581 0.006,582 0.084,583 0.037,584 0.038,585 0.026,586 0.016,587 0.011,588 0.009,589 0.009,590 0.394,591 0.17,592 0.88,593 0.646,594 163.829,595 -0.047,596 -0.003,597 0.044,598 0.038,599 -0.043,600 0.058,601 -0.041,602 0.027,603 -0.007,604 0.042,605 0.07,606 0.028,607 -0.032,608 -0.007,609 -0.051,610 -0.031,611 0.025,612 -0.044,613 -0.038,614 -0.153,615 -0.15,616 -0.184,617 -0.024,618 -0.19,619 0.001,620 -0.109,621 0.009,622 -0.084,623 -0.009,624 -0.045,625 -0.022,626 -0.035,627 0.063,628 0.015,629 -0.007,630 0.047,631 -0.018,632 0.019,633 -0.089,634 0.004,635 -0.054,636 -0.043,637 -0.05,638 0.042,639 -0.151,640 -0.065,641 -0.103,642 -0.116,643 2.056,644 5.979,645 0.806,646 31.888,647 1.001,648 1.127,649 3.023,650 9.142,651 0.667,652 3.584,653 3.932,654 4.248,655 4.522,656 4.762,657 4.86,658 4.99,659 5.069,660 5.153,661 5.198,662 7.905,663 0.635,664 419.54,665 3.584,666 5.142,667 6.014,668 6.903,669 7.789,670 8.682,671 9.572,672 10.467,673 11.36,674 12.255,675 5.3,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,713 1,714 57,716 18,717 2,718 35,720 61,721 25,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 26,765 5,766 3,767 6,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 3.5,850 1,851 1,854 15.167,855 10.01,856 6.694,857 3.537,858 3.59,859 1.427,860 1.035,861 5.554,862 11.991,863 3.829,864 4.44,865 5.057,866 5.645,867 6.148,868 6.461,869 6.793,870 7.042,871 7.088,872 7.246,873 0.889,874 52,875 11.536,877 5.071,878 7.753,879 22.315,881 19.224,883 2.253,884 69.833,887 1,888 270.735,889 128.365,890 52.807,892 36.145,893 14.96,895 128.365,896 306.88,897 67.767,899 51.41,900 75.381,901 40.849,902 47.532,903 28.875,904 258.964,906 270.735,907 181.172,908 51.105,911 215.069,912 95.772,913 11,915 71.32,916 100.376,917 9.476,919 285.695,920 88.952,921 128.365,924 270.735,925 52.984,926 78.505,927 16.786,928 84.002,929 270.735,930 103.912,931 128.365,933 0.589,934 0.353,935 0.19,936 0.103,937 26,938 11,939 0.082,940 5,941 2,942 1.16,943 4.34,944 284.937,945 0.16,946 25,947 151.58,951 20.289,952 8.486,953 4.001,954 1.524,955 87.126,956 12.833,958 3.079,961 3.789,963 49.683,964 503.012,965 45,970 11.46,972 2.256,974 0.881,975 57.076,976 64.236,977 0.263,978 0.667,979 0.881,980 0.952,981 0.952,982 0.952,983 5.088,984 1.569,985 6.004,986 5.468,987 4.615,988 5.127,989 1.956,990 6.838,991 4.559,992 6.293,993 1.548,994 7.578,995 3.823,996 4.205,997 4.977,998 0.325,999 7.791,1000 4.131,1001 7.61,1002 1.182,1003 9.253,1004 3.673,1005 6.232,1006 7.348,1007 1.989,1008 10.899,1009 6.137,1010 8.963,1011 1.127,1012 10.988,1013 3.088,1014 6.661,1015 8.08,1016 0.393,1017 12.694,1018 6.554,1019 10.352,1020 1,1021 12.761,1022 2.829,1023 8.144,1024 9.922,1025 2.094,1026 15.317,1027 8.019,1028 11.766,1029 1,1030 14.561,1031 2.382,1032 8.953,1033 11.064,1034 0.384,1035 17.45,1036 8.818,1037 13.2,1038 0.786,1039 16.38,1040 2.275,1041 10.221,1042 12.7,1043 2.241,1044 19.915,1045 10.07,1046 3.205,1047 0.544,1048 18.213,1049 1.845,1050 11.207,1051 14.035,1052 0.351,1053 22.193,1054 11.045,1055 3.077,1056 11.189,1057 20.057,1058 1.323,1059 12.39,1060 15.589,1061 2.418,1062 24.606,1063 12.213,1064 2.687,1065 10.291,1066 21.91,1067 4.6,1068 13.458,1069 17.017,1070 0.312,1071 26.946,1072 13.269,1073 2.632,1074 8.484,1075 23.77,1076 4.006,1077 14.611,1078 18.541,1079 2.619,1080 29.344,1081 14.406,1082 2.377,1083 8.139,1084 25.636,1085 3.435,1086 15.717,1087 20.013,1088 0.273,1089 31.713,1090 15.5,1091 2.003,1092 6.968,1093 27.508,1094 3.265,1095 16.861,1096 21.527,1097 2.839,1098 34.108,1099 16.628,1100 1.821,1101 6.016,1102 29.383,1103 2.719,1104 17.987,1105 23.022,1106 0.236,1107 36.492,1108 17.74,1109 13961,1110 22694,1111 23.868,1112 38,1113 53.664,1114 54.413,1115 54.701,1116 53.186,1117 53.118,1118 67.836,1119 6.439,1120 155.589,1121 51.498,1122 5.611,1123 5.522,1124 6.335,1125 5.272,1126 5.205,1127 7.6,1128 2.302,1129 18.519,1130 5.15,1131 13.395,1132 1.533,1133 1.555,1134 1.563,1135 1.52,1136 1.518,1137 1.938,1138 0.184,1139 4.445,1140 1.471,1141 4.147,1142 4.179,1143 4.112,1144 4.063,1145 8.201,1146 4.071,1147 4.014,1148 4.037,1149 3.959,1150 3.943,1151 7.437,1152 3.943,1153 3.815,1154 3.872,1155 3.719,1156 3.683,1157 4.927,1158 3.684,1159 3.582,1160 3.617,1161 3.496,1162 3.425,1163 4.899,1164 3.431,1165 3.43,1166 3.488,1167 3.329,1168 3.275,1169 4.747,1170 3.279,1171 3.332,1172 3.405,1173 3.182,1174 3.184,1175 4.429,1176 3.174,1177 3.223,1178 3.288,1179 3.099,1180 2.988,1181 4.376,1182 3.008,1183 3.044,1184 3.132,1185 2.938,1186 2.879,1187 4.249,1188 2.862,1189 0.133,1190 0.101,1191 0.194,1192 0.12,1193 0.092,1194 4.646,1195 0.131,1196 3.522,1197 0.033,1198 6.799,1199 0.32,1200 4.188,1201 0.09,1202 3.205,1203 4.6,1204 1.151,1205 11.189,1206 3.15,1207 1.987,1208 1.966,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.951,1214 1.93,1215 2.047,1216 2.037,1217 1.303,1218 2.041,1219 1.817,1220 1.771,1221 1.958,1222 1.974,1223 1.127,1224 1.971,1225 1.562,1226 1.518,1227 1.757,1228 1.752,1229 1.037,1230 1.75,1231 1.439,1232 1.384,1233 1.663,1234 1.666,1235 0.859,1236 1.659,1237 1.344,1238 1.275,1239 1.568,1240 1.549,1241 0.702,1242 1.574,1243 1.137,1244 1.082,1245 1.43,1246 1.436,1247 0.668,1248 1.425,1249 1.082,1250 1,1251 1.36,1252 1.298,1253 0.456,1254 1.348,1255 4.263,1257 5.602,1258 2.398,1259 7.143,1260 4.727,1261 8.774,1262 6.862,1263 10.451,1267 13.979,1269 5.419,1271 6.104,1273 6.037,1275 0.049,1276 2.425,1280 36.199,1281 87.412,1282 221.607,1283 292.965,1284 316.475,1285 316.475,1286 316.475,1287 53.77,1288 8.402,1289 71.35,1290 71.35,1291 29,1292 12.781,1293 4.248,1294 3.459,1295 44.027,1296 151,1297 127,1298 0.142,1299 216.839,1300 379.45,1301 520.847,1302 62535,1303 1.8,1304 21.372,1305 0.689,1306 0.56,1307 20.501,1308 17.365,1309 15.097,1310 0.431,1311 0.309,1312 10.681,1313 14.572,1314 10.496,1315 8.571,1316 14.687,1317 10.815,1318 13.767,1319 0.275,1320 0.166,1321 13.24,1322 8.321,1323 12.084,1324 0.175,1325 0.094,1326 11.611,1327 6.476,1328 10.191,1329 0.112,1330 0.052,1331 9.816,1332 4.771,1333 8.338,1334 0.072,1335 0.03,1336 8.137,1337 3.444,1338 0.23,1339 94.291,1340 0.205,1341 29.574,1342 0.371,1343 170,1344 492.872,1345 184.417,1346 451.638,1347 614.54,1348 424,1349 204,1350 445.445,1351 218.4,1352 446.682,1353 661.15,1354 423,1355 7.824} {0 CHEMBL117046,1 1.36,2 14.903,3 3.279,4 10.754,5 127.657,6 6.797,7 0.6,8 4.202,9 4.345,10 3.711,11 3.738,12 5.181,13 3.7,14 4.766,15 4.965,16 4.03,17 4.163,18 5.641,19 4.09,20 5.044,21 5.294,22 3.986,23 4.303,24 5.793,25 4.168,26 5.124,27 5.402,28 3.882,29 4.289,30 5.828,31 4.119,32 5.097,33 5.399,34 3.813,35 4.206,36 5.747,37 4.029,38 4.972,39 5.257,40 3.818,41 4.139,42 5.674,43 3.992,44 4.926,45 5.191,46 3.794,47 4.12,48 5.678,49 3.968,50 4.945,51 5.243,52 3.601,53 4.035,54 5.626,55 3.856,56 0.092,57 0.958,58 14.069,59 5.379,60 12.347,61 7.857,62 0.248,63 1.562,64 25.878,65 9.089,66 20.168,67 13.585,68 0.252,69 1.854,70 34.964,71 12.761,72 25.991,73 19.124,74 0.303,75 1.903,76 38.496,77 13.987,78 31.186,79 21.04,80 0.291,81 1.785,82 37.949,83 13.698,84 29.049,85 20.738,86 0.288,87 1.645,88 33.288,89 11.593,90 25.429,91 17.643,92 0.256,93 1.609,94 31.352,95 11.39,96 26.154,97 17.105,98 0.317,99 1.55,100 32.776,101 10.941,102 28.116,103 16.86,105 47,106 0.218,107 0.559,108 0.744,109 0.819,110 0.84,111 0.84,112 3.471,113 0.968,114 -5.14,115 -5.04,116 -4.71,119 41,121 4,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 6,178 12,182 3,186 5,189 8,193 6,195 1,197 3,199 7,203 6,206 1,208 1,211 8,215 5,218 1,220 1,222 7,226 5,229 2,231 1,233 4,236 1,237 5,242 3,244 3,249 1,254 1,256 5,259 1707,260 21.792,261 21.792,262 21.792,263 21.792,264 21.792,265 19.353,266 27.772,267 13.201,268 22.19,269 17.335,270 17.335,271 17.335,272 17.335,273 17.335,274 13.753,275 38.29,276 6.329,277 17.983,278 4.571,279 2.443,280 1.287,281 0.824,282 0.689,283 0.689,284 4.187,288 1,289 1,290 1038,291 3,294 164.979,295 316.894,298 140.379,302 2.37,303 11.893,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 462,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.926,327 6.095,328 3.69,329 2.753,330 3.731,331 0.657,332 8.884,333 2.581,334 3.905,335 2.88,336 5.509,337 3.632,338 2.676,339 3.445,341 7.438,342 2.567,343 3.647,344 2.758,345 5.338,346 3.485,347 2.504,348 2.813,350 6.961,351 2.451,352 3.432,353 2.393,354 5.139,355 3.145,356 2.194,357 2.654,359 6.312,360 2.083,361 3.254,362 2.18,363 5.092,364 2.994,365 2.02,366 2.589,368 5.992,369 1.955,370 3.2,371 1.795,372 4.514,373 2.73,374 1.776,375 2.235,377 4.655,378 1.69,379 2.902,380 1.604,381 4.134,382 2.493,383 1.499,384 2.047,386 3.483,387 1.49,388 2.742,389 1.37,390 3.642,391 2.314,392 1.329,393 1.847,395 3.152,396 1.308,397 2.5,398 1.173,399 3.474,400 2.095,401 1.131,402 1.5,404 2.55,405 1.088,406 2.428,407 1.077,408 3.414,409 2,410 1,411 1.403,413 2.275,414 1,415 2.263,416 1,417 3.32,418 1.984,419 1,420 1.207,422 2.136,423 0.983,424 2.118,425 0.959,426 3.247,427 1.865,428 0.901,429 1,431 2.106,432 0.867,433 2.004,434 0.854,435 3.19,436 1.645,437 0.696,438 0.927,440 1.628,441 0.659,442 2,443 0.647,444 3.086,445 1.526,446 0.618,447 0.857,449 1.372,450 0.556,451 14.9,452 0.481,453 0.496,454 0.016,455 38.5,456 1.242,457 18,458 0.581,459 20.5,460 0.661,461 27.268,462 0.88,463 33.1,464 0.543,465 25.322,466 0.817,467 7.417,468 0.239,469 7.931,470 0.256,473 0.255,479 0.936,480 1.361,481 0.873,482 1.106,483 0.712,484 1.003,485 1.223,486 1.099,487 1.05,488 1.022,489 0.865,490 1.019,491 0.997,492 1.068,493 1.063,494 1.086,495 0.789,496 1.082,497 0.86,498 1.014,499 1.04,500 1.082,501 0.802,502 1.08,503 0.693,504 0.923,505 0.855,506 0.941,507 0.72,508 0.919,509 0.938,510 0.908,511 0.92,512 0.909,513 0.806,514 0.912,515 0.797,516 1.123,517 1.026,518 1.147,519 0.882,520 1.117,521 1.107,522 0.897,523 1.058,524 0.959,525 1.166,526 0.996,527 4.5,528 0.078,529 2.889,530 0.819,531 0.997,532 0.764,533 0.364,534 0.242,535 0.183,536 0.148,537 16999,538 36241,539 2.221,540 49.2,541 2,542 17,543 1,544 2,545 2,547 2,548 4,550 1.728,551 2.188,552 3.834,553 0.161,555 1,559 82.962,560 1.36,561 3.487,562 4.643,563 5.107,564 5.242,565 5.242,566 3.284,567 4.374,568 4.925,569 4.043,570 1879.99,571 8.555,572 29182.7,574 1,577 361.775,578 0.824,579 4.929,580 0.129,581 0.003,582 0.061,583 0.019,584 0.027,585 0.022,586 0.01,587 0.007,588 0.007,589 0.006,590 0.291,591 0.17,592 0.88,594 166.591,595 0.108,596 -0.132,597 0.081,598 -0.037,599 0.22,600 0.01,601 -0.057,602 0.051,603 -0.072,604 -0.013,605 0.03,606 -0.038,607 -0.103,608 -0.06,609 -0.095,610 -0.074,611 0.005,612 -0.082,613 -0.013,614 -0.067,615 -0.068,616 -0.084,617 0.02,618 -0.082,619 0.105,620 -0.03,621 0.122,622 0.049,623 0.12,624 0.081,625 0.008,626 0.043,627 0.065,628 0.071,629 0.047,630 0.073,631 0.09,632 -0.148,633 -0.054,634 -0.148,635 0.005,636 -0.121,637 -0.082,638 0.039,639 -0.063,640 -0.005,641 -0.179,642 -0.027,643 0.693,644 1.232,645 0.839,646 38.656,647 0.987,648 1.131,649 3.911,650 15.296,651 0.659,652 3.584,653 3.871,654 4.143,655 4.382,656 4.554,657 4.615,658 4.745,659 4.875,660 4.942,661 4.984,662 8.712,663 0.614,664 414.61,665 3.584,666 5.106,667 5.948,668 6.804,669 7.659,670 8.52,671 9.382,672 10.248,673 11.114,674 11.984,675 9.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 35,720 65,721 25,722 16,723 4,724 8,730 5,731 6,740 3,743 5,745 16,746 9,761 1,764 30,765 4,766 2,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,827 31,833 8,834 1,837 1,838 1,844 1,854 14.167,855 10.55,856 6.833,857 3.858,858 3.559,859 1.438,860 1.02,861 6.33,862 11.68,863 3.839,864 4.407,865 4.996,866 5.574,867 6.007,868 6.328,869 6.773,870 7.197,871 7.394,872 7.61,873 0.9,874 43,875 11.455,877 4.812,878 7.392,879 22.883,881 19.311,883 1.892,884 58.667,887 1,888 329.591,889 134.501,890 73.146,895 134.501,896 329.591,897 73.146,899 18.561,900 102.868,901 74.105,902 33.51,903 13.915,904 294.278,906 329.591,907 207.646,911 258.964,912 70.627,915 75.618,916 98.702,917 33.326,919 329.591,920 73.146,921 134.501,924 329.591,925 32.406,926 107.118,927 34.796,928 33.326,929 329.591,930 73.146,931 134.501,933 0.57,934 0.331,935 0.178,936 0.091,937 23,938 8,939 0.123,940 8,941 1,942 1.077,943 4.615,944 268.895,945 0.077,946 26,947 141.58,951 20.289,952 9.672,953 5.001,954 2.493,955 54.461,956 22.82,957 7.835,958 3.42,961 3.865,962 1.951,963 34.796,964 537.237,965 45.5,975 60.214,976 68.972,977 0.229,978 0.588,979 0.783,980 0.861,981 0.884,982 0.884,983 5.051,984 1.499,985 5.889,986 4.655,987 4.554,988 5.094,989 1.038,990 6.64,991 4.484,992 6.214,993 1.329,994 7.401,995 3.483,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.783,1001 7.488,1002 1.131,1003 9.012,1004 3.152,1005 6.084,1006 7.256,1007 0.607,1008 10.491,1009 5.948,1010 8.802,1011 1,1012 10.686,1013 2.55,1014 6.33,1015 7.822,1016 0.268,1017 12.154,1018 6.154,1019 10.154,1020 1,1021 12.403,1022 2.275,1023 7.889,1024 9.764,1025 0.359,1026 14.719,1027 7.694,1028 11.534,1029 0.901,1030 14.15,1031 2.136,1032 8.564,1033 10.806,1034 0.188,1035 16.756,1036 8.336,1037 12.936,1038 0.696,1039 15.918,1040 2.106,1041 9.857,1042 12.486,1043 0.214,1044 19.154,1045 9.611,1046 3.118,1047 0.618,1048 17.704,1049 1.628,1050 10.747,1051 13.765,1052 0.125,1053 21.355,1054 10.476,1055 2.753,1056 10.431,1057 19.503,1058 1.372,1059 11.925,1060 15.333,1061 0.129,1062 23.701,1063 11.639,1064 2.676,1065 8.884,1066 21.313,1067 4.518,1068 12.924,1069 16.728,1070 0.082,1071 25.974,1072 12.619,1073 2.504,1074 7.438,1075 23.132,1076 3.731,1077 14.057,1078 18.252,1079 0.079,1080 28.306,1081 13.737,1082 2.194,1083 6.961,1084 24.959,1085 3.445,1086 15.112,1087 19.702,1088 0.054,1089 30.612,1090 14.777,1091 2.02,1092 6.312,1093 26.792,1094 2.813,1095 16.229,1096 21.211,1097 0.048,1098 32.943,1099 15.88,1100 1.776,1101 5.992,1102 28.631,1103 2.654,1104 17.314,1105 22.688,1106 0.035,1107 35.265,1108 16.952,1109 15427,1110 22731,1111 24.731,1112 40.171,1113 52.124,1114 51.545,1115 51.576,1116 51.564,1117 51.594,1118 66.962,1119 2.915,1120 141.547,1121 49.791,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1132 1.489,1133 1.473,1134 1.474,1135 1.473,1136 1.474,1137 1.913,1138 0.083,1139 4.044,1140 1.423,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.07,1147 3.942,1148 3.992,1149 3.855,1150 3.859,1151 4.927,1152 3.853,1153 3.846,1154 3.91,1155 3.79,1156 3.701,1157 4.76,1158 3.7,1159 3.819,1160 3.884,1161 3.724,1162 3.585,1163 4.389,1164 3.622,1165 3.543,1166 3.614,1167 3.398,1168 3.39,1169 4.258,1170 3.386,1171 3.323,1172 3.398,1173 3.213,1174 3.146,1175 4.087,1176 3.153,1177 3.226,1178 3.307,1179 3.074,1180 3.048,1181 3.874,1182 3.042,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.692,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.196,1197 0.023,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.081,1210 2.066,1211 1.428,1212 2.074,1213 1.92,1214 1.886,1215 2.042,1216 2.045,1217 1.277,1218 2.045,1219 1.831,1220 1.772,1221 2.009,1222 1.974,1223 1.147,1224 1.99,1225 1.662,1226 1.607,1227 1.873,1228 1.829,1229 1.111,1230 1.847,1231 1.412,1232 1.339,1233 1.601,1234 1.671,1235 0.825,1236 1.651,1237 1.346,1238 1.279,1239 1.523,1240 1.57,1241 0.776,1242 1.566,1243 1.218,1244 1.141,1245 1.513,1246 1.442,1247 0.666,1248 1.462,1249 1.153,1250 1.064,1251 1.469,1252 1.441,1253 0.58,1254 1.429,1255 4.263,1257 5.557,1258 3.045,1259 7.038,1260 5.283,1261 8.602,1262 7.286,1263 10.211,1271 9.289,1272 3.732,1275 0.64,1276 2.623,1280 37.45,1281 82.962,1282 212.725,1283 283.246,1284 311.51,1285 319.775,1286 319.775,1287 36.726,1288 8.121,1289 61.77,1290 61.77,1291 28,1292 12.528,1293 4.459,1294 3.524,1295 44.101,1296 165,1297 157,1298 0.127,1299 228.031,1300 377.9,1301 548.156,1302 47482,1304 20.882,1305 0.674,1306 0.577,1307 20.882,1308 17.874,1309 15.348,1310 0.439,1311 0.323,1312 11.171,1313 14.867,1314 10.961,1315 9.068,1316 15.348,1317 11.297,1318 13.278,1319 0.283,1320 0.181,1321 13.278,1322 8.499,1323 11.53,1324 0.186,1325 0.103,1326 11.53,1327 6.414,1328 9.52,1329 0.121,1330 0.058,1331 9.52,1332 4.58,1333 7.34,1334 0.078,1335 0.034,1336 7.34,1337 3.223,1338 0.21,1339 95.186,1340 0.201,1341 30.191,1342 0.321,1343 164,1344 371.246,1345 174.824,1346 371.061,1347 525.75,1348 352,1349 191,1350 402.772,1351 203.295,1352 411.418,1353 594.82,1354 388,1355 8.219} {0 CHEMBL117157,1 1.665,2 16.176,3 1.755,4 3.081,5 133.124,6 7.472,7 0.432,8 4.271,9 4.391,10 3.956,11 3.785,12 5.294,13 3.748,14 4.842,15 5.018,16 4.204,17 4.17,18 6.023,19 4.12,20 5.1,21 5.311,22 4.19,23 4.317,24 6.138,25 4.229,26 5.13,27 5.351,28 4.125,29 4.33,30 6.096,31 4.205,32 5.17,33 5.429,34 4.101,35 4.249,36 6.14,37 4.114,38 5.027,39 5.272,40 3.965,41 4.107,42 6.052,43 4.001,44 4.853,45 5.076,46 3.883,47 4.016,48 5.883,49 3.917,50 4.876,51 5.126,52 3.902,53 3.987,54 5.861,55 3.866,56 0.122,57 1.003,58 17.176,59 6.066,60 20.627,61 7.892,62 0.528,63 1.571,64 30.898,65 10.081,66 67.158,67 13.515,68 0.742,69 1.846,70 39.396,71 12.883,72 83.695,73 17.563,74 0.425,75 1.863,76 38.993,77 14.316,78 66.629,79 19.649,80 0.617,81 1.8,82 45.207,83 14.8,84 78.978,85 20.462,86 0.681,87 1.562,88 39.029,89 11.839,90 75.614,91 16.209,92 0.406,93 1.393,94 29.87,95 10.009,96 53.856,97 14.233,98 0.484,99 1.394,100 31.931,101 10.542,102 54.535,103 14.927,104 35,105 52,106 0.264,107 0.589,108 0.761,109 0.827,110 0.846,111 0.846,112 3.56,113 1.071,114 -1.66,115 -1.73,116 -1.76,119 36.9,121 1,124 1,125 7,140 7,141 3,142 2,149 1,150 1,156 1,161 1,162 1,163 1,169 8,171 2,172 4,174 2,176 5,178 8,180 1,181 3,182 4,186 6,189 6,191 1,193 4,197 3,199 2,201 1,202 1,203 11,206 1,207 1,208 1,210 1,211 1,213 1,214 1,215 10,218 1,220 1,224 1,226 5,228 1,229 1,231 1,235 1,236 2,237 8,240 2,249 5,252 1,259 2288,260 22.695,261 22.695,262 22.695,263 22.695,264 22.695,265 20.36,266 27.34,267 13.305,268 23.185,269 18.223,270 18.223,271 18.223,272 18.223,273 18.223,274 14.484,275 33.537,276 6.246,277 19.03,278 4.357,279 2.307,280 1.225,281 0.812,282 0.689,283 0.689,284 4.254,289 1,290 1178,291 4.359,294 98.825,295 363.406,298 171.965,302 2.716,303 38.262,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 74.5,315 550,316 4.624,317 4.307,318 6.546,319 4.076,320 3.105,321 4.504,322 2.055,323 10.36,324 3.043,325 4.55,326 3.741,327 6.397,328 4.038,329 3.092,330 4.424,331 0.933,332 9.963,333 2.876,334 4.148,335 3.183,336 6.17,337 3.866,338 2.92,339 3.69,340 0.8,341 9.13,342 2.761,343 3.948,344 3.112,345 5.989,346 3.68,347 2.716,348 3.177,349 0.522,350 8.461,351 2.613,352 3.703,353 2.745,354 5.318,355 3.365,356 2.397,357 3.06,358 0.51,359 6.888,360 2.317,361 3.64,362 2.691,363 5.31,364 3.295,365 2.342,366 2.909,368 6.846,369 2.224,370 3.344,371 2.286,372 5.096,373 2.94,374 1.971,375 2.672,377 5.915,378 1.9,379 2.939,380 2.155,381 4.469,382 2.676,383 1.692,384 1.982,386 4.512,387 1.655,388 2.743,389 1.661,390 4.166,391 2.306,392 1.334,393 1.844,395 3.584,396 1.296,397 2.5,398 1.476,399 4.074,400 2.219,401 1.269,402 1.5,404 3.384,405 1.196,406 2.446,407 1.379,408 3.414,409 2.016,410 1.063,411 1.419,413 2.275,414 1.009,415 2.327,416 1.164,417 3.414,418 2,419 1,420 1.28,422 2.275,423 1,424 2.004,425 1.146,426 3.356,427 1.967,428 1,429 1,431 2.115,432 0.965,433 2,434 1.132,435 3.336,436 1.658,437 0.714,438 0.887,440 1.657,441 0.669,442 1.863,443 1,444 3.099,445 1.614,446 0.668,447 0.77,449 1.432,450 0.628,451 16.167,452 0.475,453 0.938,454 0.028,455 41.75,456 1.228,457 19.5,458 0.574,459 22.25,460 0.654,461 30.429,462 0.895,463 38.433,464 0.591,465 33.547,466 0.987,467 8.203,468 0.241,469 8.117,470 0.239,471 0.118,472 0.052,473 0.266,479 0.706,480 1.477,481 0.857,482 1.277,483 0.683,484 1.025,485 0.868,486 1.154,487 1.064,488 1.081,489 0.545,490 0.973,491 1.133,492 0.92,493 1.032,494 0.914,495 1.074,496 1.009,497 0.924,498 1.167,499 0.939,500 1.109,501 0.923,502 1.204,503 0.835,504 0.982,505 0.851,506 0.975,507 0.712,508 0.967,509 1.264,510 0.866,511 0.98,512 0.863,513 1.022,514 0.917,515 0.974,516 1.14,517 0.866,518 1.035,519 0.962,520 1.105,521 0.733,522 1.051,523 0.773,524 0.956,525 0.714,526 0.999,527 8,528 0.135,529 4.222,530 1.604,531 1.538,532 1.278,533 0.683,534 0.435,535 0.406,536 0.329,537 19854,538 55912,539 2.052,540 47.7,542 24,543 1,545 4,547 2,550 1.752,551 1.915,552 3.924,553 1.575,559 108.225,560 1.665,561 3.715,562 4.797,563 5.211,564 5.334,565 5.334,566 3.425,567 4.572,568 5.055,569 4.166,570 2337.09,571 8.822,572 39038.4,577 391.454,578 1.533,579 5.01,580 0.216,581 0.004,582 0.081,583 0.032,584 0.035,585 0.03,586 0.018,587 0.012,588 0.012,589 0.01,590 0.452,591 0.17,592 0.88,593 1.187,594 188.36,595 0.018,596 -0.175,597 0.183,598 -0.072,599 -0.125,600 0.022,601 0.085,602 0.015,603 -0.067,604 -0.028,605 0.199,606 0.012,607 -0.101,608 0.121,609 -0.144,610 0.028,611 -0.107,612 -0.041,613 -0.091,614 -0.18,615 -0.114,616 -0.158,617 -0.101,618 -0.196,619 0.064,620 -0.072,621 0.09,622 -0.017,623 0.05,624 0.034,625 -0.128,626 0.072,627 -0.039,628 0.058,629 -0.054,630 0.042,631 -0.048,632 -0.159,633 -0.05,634 -0.126,635 -0.043,636 -0.122,637 0.136,638 -0.099,639 0.109,640 -0.036,641 0.066,642 -0.013,643 4.132,644 5.699,645 0.618,646 47.052,647 1.006,648 1.133,649 0.433,650 0.187,651 0.652,652 3.638,653 3.97,654 4.174,655 4.394,656 4.625,657 4.691,658 4.804,659 4.883,660 4.942,661 4.997,662 9.394,663 0.615,664 485.67,665 3.638,666 5.187,667 6.019,668 6.893,669 7.742,670 8.617,671 9.474,672 10.349,673 11.211,674 12.086,675 7.7,676 1,677 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 65,716 19,717 2,718 37,720 68,721 24,722 14,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 9,750 3,753 1,755 3,759 1,764 31,765 8,766 4,767 10,768 1,773 5,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,821 1,823 1,827 34,828 1,830 1,833 8,834 1,835 1,838 2,847 6.2,850 3,852 1,854 17.75,855 11.483,856 7.403,857 3.701,858 3.105,859 1.383,860 0.995,861 7.91,862 11.21,863 3.892,864 4.497,865 4.948,866 5.483,867 5.992,868 6.24,869 6.572,870 6.892,871 6.887,872 6.936,873 0.909,874 50,875 12.766,877 5.566,878 7.855,879 24.21,881 20.125,883 2.355,884 80.083,888 317.82,889 131.933,890 72.336,892 80.458,894 5.807,895 126.126,896 398.278,897 72.336,898 7.19,899 55.783,900 97.594,901 74.163,902 47.854,903 13.915,904 306.049,906 317.82,907 198.462,908 80.458,909 5.807,911 294.278,912 104,915 88.973,916 109.489,917 5.807,919 317.82,920 152.794,921 131.933,923 5.807,924 317.82,925 43.554,926 88.82,927 33.191,928 113.355,929 317.82,930 152.794,931 131.933,933 0.584,934 0.319,935 0.164,936 0.094,937 24,938 11,939 0.132,940 9,941 1,942 1.095,943 4.63,944 299.154,945 0.095,946 21,947 162.974,950 1,951 24.701,952 10.888,953 6.597,954 2.097,955 136.009,956 15.537,958 3.231,961 3.764,963 66.088,964 602.547,965 48,968 -3.216,970 35.187,974 -0.029,975 65.381,976 73.647,977 0.276,978 0.617,979 0.797,980 0.865,981 0.886,982 0.886,983 5.142,984 1.692,985 6.028,986 5.915,987 4.654,988 5.185,989 2.472,990 6.832,991 4.57,992 6.363,993 1.334,994 7.589,995 4.512,996 4.369,997 5.255,998 1.738,999 7.881,1000 4.226,1001 7.7,1002 1.269,1003 9.252,1004 3.584,1005 6.293,1006 7.463,1007 3.333,1008 10.824,1009 6.122,1010 9.075,1011 1.063,1012 10.973,1013 3.384,1014 6.792,1015 8.341,1016 3.296,1017 12.636,1018 6.558,1019 10.484,1020 1,1021 12.73,1022 2.275,1023 8.217,1024 10.091,1025 4.559,1026 15.14,1027 7.955,1028 11.914,1029 1,1030 14.51,1031 2.275,1032 9.049,1033 11.304,1034 4.854,1035 17.24,1036 8.728,1037 13.361,1038 0.714,1039 16.307,1040 2.115,1041 10.283,1042 12.894,1043 5.901,1044 19.608,1045 9.93,1046 3.105,1047 0.668,1048 18.115,1049 1.657,1050 11.266,1051 14.259,1052 6.37,1053 21.826,1054 10.861,1055 3.092,1056 10.36,1057 19.932,1058 1.432,1059 12.424,1060 15.788,1061 7.287,1062 24.149,1063 11.984,1064 2.92,1065 9.963,1066 21.756,1067 4.504,1068 13.477,1069 17.221,1070 7.856,1071 26.417,1072 12.99,1073 2.716,1074 9.13,1075 23.586,1076 4.424,1077 14.605,1078 18.728,1079 8.696,1080 28.728,1081 14.082,1082 2.397,1083 8.461,1084 25.42,1085 3.69,1086 15.691,1087 20.193,1088 9.324,1089 31.02,1090 15.126,1091 2.342,1092 6.888,1093 27.258,1094 3.177,1095 16.809,1096 21.692,1097 10.117,1098 33.329,1099 16.208,1100 1.971,1101 6.846,1102 29.1,1103 3.06,1104 17.911,1105 23.173,1106 10.781,1107 35.633,1108 17.271,1109 18974,1110 32002,1111 24.444,1112 42.392,1113 55.479,1114 57.539,1115 56.339,1116 55.411,1117 55.38,1118 71.234,1119 9.64,1120 159.422,1121 53.054,1122 5.624,1123 6.307,1124 6.313,1125 5.16,1126 5.105,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 18.605,1132 1.499,1133 1.555,1134 1.523,1135 1.498,1136 1.497,1137 1.925,1138 0.261,1139 4.309,1140 1.434,1141 4.134,1142 4.166,1143 4.714,1144 4.047,1145 7.718,1146 4.053,1147 4.014,1148 4.035,1149 4.09,1150 3.955,1151 7.427,1152 3.899,1153 3.905,1154 3.903,1155 3.896,1156 3.834,1157 6.999,1158 3.736,1159 3.761,1160 3.792,1161 3.687,1162 3.585,1163 5.037,1164 3.598,1165 3.574,1166 3.633,1167 3.464,1168 3.424,1169 4.957,1170 3.424,1171 3.447,1172 3.505,1173 3.32,1174 3.215,1175 4.745,1176 3.234,1177 3.287,1178 3.349,1179 3.178,1180 3.078,1181 4.562,1182 3.09,1183 3.134,1184 3.21,1185 2.991,1186 2.964,1187 4.269,1188 2.953,1189 0.125,1190 0.116,1191 0.177,1192 0.11,1193 0.084,1194 4.624,1195 0.122,1196 4.307,1197 0.056,1198 6.546,1199 0.28,1200 4.076,1201 0.082,1202 3.105,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.944,1208 1.919,1209 2.058,1210 2.075,1211 1.304,1212 2.078,1213 1.935,1214 1.913,1215 2.02,1216 2.024,1217 1.224,1218 2.024,1219 1.75,1220 1.751,1221 1.913,1222 1.942,1223 1.153,1224 1.971,1225 1.675,1226 1.649,1227 1.851,1228 1.846,1229 1.017,1230 1.866,1231 1.648,1232 1.59,1233 1.634,1234 1.82,1235 0.958,1236 1.853,1237 1.359,1238 1.318,1239 1.565,1240 1.631,1241 0.825,1242 1.614,1243 1.268,1244 1.184,1245 1.513,1246 1.541,1247 0.735,1248 1.538,1249 1.153,1250 1.064,1251 1.51,1252 1.376,1253 0.621,1254 1.429,1255 4.317,1257 5.645,1258 2.398,1259 7.151,1260 4.727,1261 8.731,1262 6.823,1263 10.353,1265 1.146,1269 5.688,1271 4.333,1272 2.491,1273 5.804,1276 4.048,1280 40.002,1281 108.225,1282 241.482,1283 311.828,1284 338.699,1285 346.699,1286 346.699,1287 74.123,1288 8.106,1289 120.76,1290 129.14,1291 23,1292 12.628,1293 4.322,1294 3.585,1295 57.488,1296 193,1297 174,1298 0.142,1299 249.081,1300 429.17,1301 599.518,1302 44944,1304 24.131,1305 0.71,1306 0.591,1307 24.381,1308 20.105,1309 16.32,1310 0.441,1311 0.357,1312 11.297,1313 14.867,1314 10.87,1315 8.96,1316 17.247,1317 13.205,1318 15.339,1319 0.295,1320 0.198,1321 16.744,1322 10.309,1323 11.842,1324 0.185,1325 0.104,1326 12.289,1327 6.656,1328 9.434,1329 0.118,1330 0.057,1331 9.752,1332 4.528,1333 7.816,1334 0.077,1335 0.032,1336 8.194,1337 3.21,1338 0.235,1339 112.057,1340 0.202,1341 32.506,1342 0.359,1343 178,1344 531.071,1345 226.895,1346 526.95,1347 706.38,1348 488,1349 205,1350 485.63,1351 259.745,1352 521.057,1353 749.55,1354 487,1355 8.658} {0 CHEMBL117249,1 1.406,2 10.958,3 2.078,4 4.319,5 98.938,6 6.76,7 0.556,8 3.974,9 4.124,10 3.483,11 3.45,12 4.947,13 3.424,14 4.549,15 4.771,16 3.803,17 3.877,18 5.403,19 3.821,20 4.77,21 5.015,22 3.732,23 4.039,24 5.523,25 3.909,26 4.886,27 5.168,28 3.618,29 4.037,30 5.578,31 3.859,32 4.834,33 5.153,34 3.499,35 3.872,36 5.478,37 3.694,38 4.573,39 4.855,40 3.473,41 3.726,42 5.305,43 3.596,44 4.525,45 4.795,46 3.453,47 3.688,48 5.305,49 3.559,50 4.514,51 4.801,52 3.265,53 3.617,54 5.244,55 3.462,56 0.068,57 0.78,58 11.381,59 3.898,60 10.066,61 6.052,62 0.263,63 1.234,64 21.435,65 6.311,66 16.526,67 10.184,68 0.235,69 1.398,70 26.614,71 9.385,72 18.488,73 14.327,74 0.195,75 1.42,76 30.259,77 10.912,78 23.473,79 16.743,80 0.279,81 1.259,82 29.546,83 9.449,84 24.243,85 15.076,86 0.217,87 1.074,88 22.371,89 7.043,90 17.429,91 11.255,92 0.21,93 1.042,94 21.177,95 6.804,96 19.056,97 10.771,98 0.234,99 0.979,100 21.225,101 6.409,102 19.308,103 10.367,104 2,105 37,106 0.239,107 0.57,108 0.736,109 0.793,110 0.821,111 0.821,112 3.228,113 0.962,114 -3.84,115 -3.8,116 -3.61,119 37.5,121 2,124 1,125 5,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 5,171 2,172 3,176 3,178 5,181 1,182 3,186 3,189 5,193 6,197 1,199 3,203 7,206 1,211 2,215 5,218 1,222 1,226 4,229 2,236 1,237 4,249 1,252 1,259 852,260 16.654,261 16.654,262 16.654,263 16.654,264 16.654,265 14.966,266 20.488,267 9.941,268 17.113,269 13.352,270 13.352,271 13.352,272 13.352,273 13.352,274 10.814,275 22.656,276 4.749,277 14.079,278 4.179,279 2.237,280 1.265,281 0.932,282 0.766,283 0.766,284 3.93,287 1,288 1,289 1,290 585,291 2.55,294 115.611,295 141.574,298 96.355,302 1.632,303 8.951,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 51,315 263,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.946,327 6.095,328 3.69,329 2.753,330 3.731,331 0.8,332 8.884,333 2.578,334 3.62,335 2.88,336 5.413,337 3.538,338 2.617,339 2.813,341 7.156,342 2.409,343 3.429,344 2.485,345 5.129,346 3.072,347 2.134,348 2.621,350 6.013,351 2.023,352 3.25,353 2.18,354 4.887,355 2.96,356 2.008,357 2.585,359 5.684,360 1.885,361 3.104,362 1.795,363 4.514,364 2.73,365 1.775,366 2.109,368 4.655,369 1.689,370 2.741,371 1.368,372 4.133,373 2.31,374 1.326,375 1.845,377 3.48,378 1.303,379 2.426,380 1.16,381 3.462,382 2.085,383 1.122,384 1.4,386 2.52,387 1.078,388 2.254,389 1.146,390 3.414,391 1.967,392 1,393 1.195,395 2.275,396 0.965,397 2.118,398 0.933,399 3.314,400 1.86,401 0.895,402 1,404 2.094,405 0.861,406 2,407 0.669,408 3.171,409 1.559,410 0.618,411 0.927,413 1.458,414 0.575,415 1.982,416 0.618,417 3,418 1.518,419 0.602,420 0.819,422 1.372,423 0.556,424 1.194,425 0.232,426 2.673,427 1.057,428 0.092,429 0.099,431 0.212,432 0.089,433 0.855,434 -0.171,435 2.435,436 0.596,437 -0.368,438 -0.407,440 -0.853,441 -0.354,442 0.659,443 -0.548,444 2.114,445 0.297,446 -0.67,447 -0.846,449 -1.699,450 -0.644,451 11.4,452 0.475,453 0.465,454 0.019,455 28.75,456 1.198,457 12,458 0.5,459 16.75,460 0.698,461 19.814,462 0.826,463 26.4,464 0.55,465 18.191,466 0.758,467 5.651,468 0.235,469 6.141,470 0.256,471 0.044,473 0.281,479 0.915,480 1.614,481 0.862,482 1.25,483 0.646,484 1.081,485 1.389,486 0.982,487 1.012,488 0.849,489 0.812,490 0.878,491 0.939,492 1.011,493 1.105,494 1.118,495 0.753,496 1.13,497 0.62,498 1.083,499 0.972,500 1.169,501 0.678,502 1.123,503 0.724,504 0.838,505 0.8,506 0.85,507 0.728,508 0.837,509 0.933,510 0.973,511 0.916,512 0.941,513 0.804,514 0.929,515 0.841,516 1.089,517 0.962,518 1.078,519 0.881,520 1.042,521 1.123,522 0.958,523 1.101,524 1.015,525 1.367,526 1.049,527 4,528 0.091,529 2.667,530 0.882,531 0.806,532 0.583,533 0.364,534 0.162,535 0.127,536 0.138,537 7353,538 15588,539 2.187,540 50,541 2,542 16,543 1,544 2,545 1,547 2,550 1.664,551 2.118,552 3.421,553 -0.301,554 1,555 1,559 67.471,560 1.406,561 3.348,562 4.32,563 4.653,564 4.819,565 4.819,566 2.907,567 4.168,568 4.556,569 3.579,570 987.698,571 7.838,572 11898.5,574 1,576 1,577 268.078,578 1.099,579 4.546,580 0.148,581 0.006,582 0.072,583 0.027,584 0.029,585 0.023,586 0.015,587 0.007,588 0.007,589 0.008,590 0.341,591 0.5,592 1,593 0.382,594 115.682,595 0.127,596 -0.32,597 0.099,598 -0.139,599 0.272,600 -0.041,601 -0.135,602 0.189,603 -0.013,604 0.145,605 0.06,606 0.091,607 -0.108,608 0.039,609 -0.154,610 -0.067,611 -0.022,612 -0.108,613 0.031,614 -0.16,615 -0.031,616 -0.125,617 0.083,618 -0.092,619 0.092,620 0.015,621 0.172,622 0.118,623 0.14,624 0.149,625 0.007,626 -0.008,627 0.06,628 0.044,629 0.081,630 0.056,631 0.096,632 -0.101,633 0.011,634 -0.083,635 0.072,636 -0.052,637 -0.107,638 0.003,639 -0.118,640 -0.057,641 -0.267,642 -0.084,643 0.563,644 0.894,645 0.833,646 22.083,647 0.991,648 1.14,649 2.609,650 6.805,651 0.643,652 3.332,653 3.638,654 3.912,655 4.159,656 4.317,657 4.394,658 4.511,659 4.635,660 4.682,661 4.718,662 6.423,663 0.601,664 324.48,665 3.332,666 4.86,667 5.707,668 6.572,669 7.435,670 8.306,671 9.177,672 10.051,673 10.927,674 11.805,675 12.5,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 48,716 15,717 1,718 27,720 51,721 18,722 10,723 3,724 3,730 4,731 5,743 2,745 10,746 8,760 1,761 1,764 24,765 4,766 1,767 6,773 6,777 0.75,788 1,792 2,793 2,796 1,815 2,819 3,823 1,827 24,833 7,838 2,844 1,854 11.333,855 8.75,856 5.25,857 2.98,858 2.787,859 1.38,860 1.013,861 4.54,862 10.126,863 3.57,864 4.151,865 4.762,866 5.369,867 5.796,868 6.229,869 6.699,870 7.138,871 7.332,872 7.554,873 1,874 33,875 8.859,877 3.695,878 7.403,879 17.672,881 14.759,883 1.903,884 45.667,885 0.001,888 270.735,889 89.367,890 58.259,895 89.367,896 270.735,897 58.259,898 8.396,899 15.598,900 37.476,901 74.105,902 33.449,903 13.915,904 235.422,906 270.735,907 147.626,911 247.193,912 23.542,915 57.768,916 56.532,917 33.326,919 270.735,920 58.259,921 89.367,924 270.735,925 26.257,926 71.257,927 16.786,928 33.326,929 270.735,930 58.259,931 89.367,933 0.577,934 0.335,935 0.179,936 0.091,937 19,938 7,939 0.098,940 5,941 1,942 1.1,943 3.826,944 193.049,945 0.1,946 20,947 102.039,951 15.67,952 6.954,953 3.5,954 2.501,955 39.575,956 12.081,957 7.783,958 3.394,961 2.501,962 1.945,963 16.786,964 418.361,965 34.5,975 47.563,976 54.727,977 0.252,978 0.6,979 0.773,980 0.833,981 0.863,982 0.863,983 4.794,984 1.122,985 5.666,986 3.48,987 4.317,988 4.836,989 1.072,990 6.441,991 4.22,992 5.968,993 1,994 7.197,995 2.52,996 3.761,997 4.543,998 0.57,999 7.261,1000 3.609,1001 7.255,1002 0.895,1003 8.827,1004 2.275,1005 5.872,1006 7.033,1007 0.653,1008 10.35,1009 5.687,1010 8.583,1011 0.618,1012 10.518,1013 2.094,1014 6.196,1015 7.716,1016 0.479,1017 12.053,1018 5.971,1019 9.951,1020 0.602,1021 12.25,1022 1.458,1023 7.709,1024 9.598,1025 0.432,1026 14.63,1027 7.458,1028 11.347,1029 0.092,1030 14.012,1031 1.372,1032 8.441,1033 10.728,1034 0.346,1035 16.694,1036 8.166,1037 12.765,1038 -0.368,1039 15.794,1040 0.212,1041 9.713,1042 12.375,1043 0.291,1044 19.104,1045 9.415,1046 3.118,1047 -0.67,1048 17.593,1049 -0.853,1050 10.642,1051 13.711,1052 0.237,1053 21.32,1054 10.33,1055 2.753,1056 10.431,1057 19.404,1058 -1.699,1059 11.814,1060 15.265,1061 0.195,1062 23.674,1063 11.484,1064 2.617,1065 8.884,1066 21.226,1067 4.518,1068 12.839,1069 16.692,1070 0.158,1071 25.955,1072 12.5,1073 2.134,1074 7.156,1075 23.056,1076 3.731,1077 13.972,1078 18.211,1079 0.129,1080 28.292,1081 13.62,1082 2.008,1083 6.013,1084 24.892,1085 2.813,1086 15.045,1087 19.679,1088 0.104,1089 30.602,1090 14.684,1091 1.775,1092 5.684,1093 26.734,1094 2.621,1095 16.165,1096 21.187,1097 0.084,1098 32.936,1099 15.794,1100 1.326,1101 4.655,1102 28.581,1103 2.585,1104 17.262,1105 22.674,1106 0.068,1107 35.26,1108 16.882,1109 6839,1110 10136,1111 18.781,1112 30.887,1113 40.576,1114 39.864,1115 40.421,1116 40.142,1117 40.119,1118 51.326,1119 3.2,1120 112.467,1121 38.148,1122 5.568,1123 5.197,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 6.624,1132 1.503,1133 1.476,1134 1.497,1135 1.487,1136 1.486,1137 1.901,1138 0.119,1139 4.165,1140 1.413,1141 4.152,1142 4.19,1143 4.112,1144 4.06,1145 5.135,1146 4.068,1147 3.857,1148 3.935,1149 3.79,1150 3.656,1151 4.927,1152 3.666,1153 3.822,1154 3.899,1155 3.727,1156 3.579,1157 4.407,1158 3.617,1159 3.53,1160 3.605,1161 3.381,1162 3.367,1163 4.257,1164 3.365,1165 3.297,1166 3.369,1167 3.186,1168 3.121,1169 4.025,1170 3.127,1171 3.143,1172 3.246,1173 2.955,1174 2.941,1175 3.805,1176 2.91,1177 3.111,1178 3.206,1179 2.866,1180 2.897,1181 3.618,1182 2.894,1183 2.927,1184 3.006,1185 2.766,1186 2.776,1187 3.474,1188 2.767,1189 0.169,1190 0.118,1191 0.243,1192 0.152,1193 0.115,1194 4.568,1195 0.167,1196 3.197,1197 0.03,1198 6.566,1199 0.386,1200 4.099,1201 0.113,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.053,1210 2.057,1211 1.357,1212 2.057,1213 1.804,1214 1.732,1215 2.004,1216 2.025,1217 1.24,1218 2.024,1219 1.648,1220 1.587,1221 1.863,1222 1.829,1223 1.103,1224 1.844,1225 1.408,1226 1.335,1227 1.606,1228 1.669,1229 0.825,1230 1.649,1231 1.329,1232 1.257,1233 1.526,1234 1.554,1235 0.748,1236 1.556,1237 1.153,1238 1.064,1239 1.513,1240 1.442,1241 0.608,1242 1.429,1243 1.122,1244 1.017,1245 1.458,1246 1.389,1247 0.576,1248 1.425,1249 1.078,1250 0.982,1251 1.219,1252 1.376,1253 0.347,1254 1.379,1255 4.007,1257 5.313,1258 3.045,1259 6.804,1260 5.283,1261 8.379,1262 7.286,1263 10.002,1265 2.205,1271 8.27,1276 4.986,1280 28.87,1281 67.471,1282 160.717,1283 207.349,1284 223.323,1285 231.323,1286 231.323,1287 25.387,1288 7.34,1289 52.98,1290 52.98,1291 22,1292 12.343,1293 4,1294 3.087,1295 34.054,1296 91,1297 98,1298 0.179,1299 177.06,1300 287.98,1301 423.787,1302 15903,1304 16.355,1305 0.681,1306 0.59,1307 16.355,1308 14.15,1309 11.793,1310 0.437,1311 0.321,1312 8.513,1313 11.267,1314 8.313,1315 6.883,1316 11.793,1317 8.654,1318 10.436,1319 0.282,1320 0.18,1321 10.436,1322 6.661,1323 8.992,1324 0.184,1325 0.102,1326 8.992,1327 4.984,1328 7.382,1329 0.117,1330 0.054,1331 7.382,1332 3.432,1333 5.624,1334 0.076,1335 0.033,1336 5.624,1337 2.411,1338 0.285,1339 74.095,1340 0.231,1341 23.799,1342 0.476,1343 128,1344 308.558,1345 138.852,1346 304.181,1347 428.5,1348 288,1349 150,1350 328.124,1351 162.684,1352 334.539,1353 483.63,1354 313,1355 7.366} {0 CHEMBL117397,1 1.362,2 14.171,3 6.224,4 38.737,5 151.127,6 7.175,7 0.525,8 4.292,9 4.421,10 3.851,11 3.908,12 5.252,13 3.852,14 4.863,15 5.045,16 4.244,17 4.346,18 5.749,19 4.267,20 5.145,21 5.365,22 4.292,23 4.537,24 5.96,25 4.4,26 5.23,27 5.471,28 4.242,29 4.546,30 6.039,31 4.367,32 5.208,33 5.481,34 4.202,35 4.465,36 5.971,37 4.287,38 5.055,39 5.287,40 4.195,41 4.411,42 5.874,43 4.259,44 5.08,45 5.317,46 4.084,47 4.399,48 5.882,49 4.228,50 5.07,51 5.336,52 3.912,53 4.314,54 5.806,55 4.117,56 0.076,57 0.962,58 14.609,59 6.178,60 10.48,61 8.632,62 0.24,63 1.693,64 28.493,65 10.608,66 21.283,67 15.21,68 0.24,69 2.138,70 39.682,71 15.834,72 26.97,73 21.846,74 0.266,75 2.305,76 47.273,77 18.356,78 38.831,79 24.586,80 0.309,81 2.226,82 48.014,83 18.145,84 39.878,85 24.327,86 0.227,87 1.963,88 38.573,89 14.881,90 30.234,91 20.087,92 0.259,93 2.002,94 39.87,95 15.115,96 32.78,97 20.448,98 0.253,99 1.91,100 39.931,101 15.687,102 31.797,103 21.373,104 5,105 57,106 0.213,107 0.565,108 0.776,109 0.872,110 0.895,111 0.904,112 3.588,113 0.982,114 -5.52,115 -5.39,116 -5.03,119 44.8,121 4,124 1,125 3,127 1,134 1,135 1,140 10,141 5,142 1,149 1,150 1,157 1,169 19,172 5,174 1,176 5,178 23,182 2,186 6,189 22,193 4,197 6,199 15,203 6,206 1,208 4,211 8,215 7,220 4,222 9,226 4,231 2,233 12,237 3,240 1,242 2,244 15,254 1,256 14,259 2222,260 24.239,261 24.239,262 24.239,263 24.239,264 24.239,265 21.472,266 23.346,267 14.143,268 24.642,269 19.757,270 19.757,271 19.757,272 19.757,273 19.757,274 15.539,275 27.759,276 6.697,277 20.432,278 4.705,279 2.449,280 1.097,281 0.482,282 0.34,283 0.28,284 4.309,289 1,290 1124,291 3.24,294 183.165,295 402.388,298 150.433,299 170.077,302 2.338,303 14.722,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 72,315 496,316 4.572,317 3.896,318 6.578,319 4.123,320 3.136,321 4.516,322 1.807,323 10.485,324 3.098,325 4.501,326 3.239,327 6.519,328 4.036,329 3.055,330 4.432,331 0.8,332 10.253,333 3.009,334 4.137,335 3.057,336 6.14,337 3.827,338 2.863,339 3.561,340 0.733,341 9.024,342 2.78,343 3.906,344 3.035,345 6.034,346 3.715,347 2.775,348 3.15,349 0.167,350 8.609,351 2.619,352 3.813,353 2.899,354 5.973,355 3.545,356 2.607,357 2.892,359 8.416,360 2.401,361 3.458,362 2.382,363 5.199,364 3.059,365 2.085,366 2.8,368 6.242,369 2.03,370 3.339,371 2.151,372 5.111,373 2.938,374 1.957,375 2.61,377 5.923,378 1.915,379 3.118,380 2.12,381 4.505,382 2.618,383 1.64,384 2.427,386 4.543,387 1.618,388 3.1,389 1.618,390 4.247,391 2.6,392 1.618,393 2.285,395 3.852,396 1.568,397 2.77,398 1.617,399 4.176,400 2.317,401 1.347,402 1.902,404 3.653,405 1.304,406 2.714,407 1.454,408 3.989,409 2.275,410 1.282,411 1.791,413 3.293,414 1.273,415 2.537,416 1.391,417 3.927,418 2.172,419 1.229,420 1.489,422 3.012,423 1.151,424 2.341,425 1.279,426 3.585,427 2.104,428 1.135,429 1.316,431 2.791,432 1.095,433 2.307,434 1.233,435 3.417,436 2.05,437 1.074,438 1.191,440 2.383,441 1.044,442 2.137,443 1.141,444 3.414,445 1.984,446 1,447 1.119,449 2.275,450 0.983,451 17.433,452 0.498,453 0.777,454 0.022,455 43.5,456 1.243,457 21,458 0.6,459 22.5,460 0.643,461 33.738,462 0.964,463 35.967,464 0.537,465 32.142,466 0.918,467 8.31,468 0.237,469 8.843,470 0.253,471 0.076,473 0.333,479 1.067,480 1.188,481 0.742,482 0.896,483 0.795,484 0.908,485 1.255,486 1.043,487 0.819,488 0.882,489 0.697,490 0.912,491 1.11,492 1.033,493 0.964,494 0.982,495 0.851,496 1.03,497 1.039,498 1.116,499 1.157,500 1.141,501 1.199,502 1.108,503 0.918,504 0.897,505 0.978,506 0.921,507 1.061,508 0.861,509 1.111,510 1.093,511 1.037,512 1.034,513 1.016,514 1.018,515 1.308,516 1.086,517 1.19,518 1.116,519 1.218,520 1.127,521 0.878,522 1.005,523 1.065,524 1.073,525 1.051,526 1.076,527 6,528 0.138,529 4.667,530 2.111,531 1.461,532 1.257,533 0.73,534 0.346,535 0.352,536 0.254,537 21752,538 43733,539 2.209,540 47.8,542 21,543 1,545 2,547 8,550 1.763,551 2.121,552 3.763,553 0.077,559 91.221,560 1.362,561 3.618,562 4.969,563 5.585,564 5.726,565 5.786,566 3.258,567 4.879,568 5.102,569 3.992,570 2375.2,571 8.93,572 38363.2,577 406.428,578 1.208,579 5.084,580 0.15,581 0.004,582 0.082,583 0.037,584 0.029,585 0.026,586 0.015,587 0.008,588 0.01,589 0.008,590 0.369,591 0.17,592 0.63,593 0.383,594 191.96,595 0.022,596 -0.091,597 0.051,598 0.002,599 0.021,600 0.033,601 0.023,602 0.041,603 0.027,604 0.012,605 0.107,606 0.022,607 -0.106,608 -0.021,609 -0.051,610 -0.031,611 0.02,612 -0.059,613 -0.07,614 -0.119,615 -0.094,616 -0.109,617 -0.08,618 -0.116,619 0.093,620 0.081,621 0.115,622 0.117,623 0.047,624 0.138,625 -0.04,626 -0.074,627 -0.006,628 -0.028,629 0.004,630 -0.039,631 -0.191,632 -0.064,633 -0.163,634 -0.118,635 -0.155,636 -0.154,637 0.007,638 -0.049,639 -0.072,640 -0.077,641 -0.065,642 -0.081,643 0.874,644 2.131,645 0.857,646 41.414,647 0.983,648 1.115,649 4.286,650 18.372,651 0.691,652 3.714,653 4.06,654 4.382,655 4.654,656 4.868,657 4.977,658 5.153,659 5.288,660 5.412,661 5.525,662 8.496,663 0.637,664 480.73,665 3.714,666 5.273,667 6.146,668 7.033,669 7.917,670 8.806,671 9.694,672 10.584,673 11.474,674 12.366,675 6,678 1,682 2,683 1,687 4,688 11,690 1,693 3,695 21,714 67,716 23,717 3,718 40,720 72,721 30,722 18,723 6,724 10,725 2,730 6,731 8,735 1,740 4,743 5,745 21,746 9,750 2,756 1,757 1,759 2,764 32,765 3,766 2,767 5,768 1,773 4,777 0.667,788 1,789 1,792 2,793 4,796 1,797 1,810 1,811 1,815 1,819 4,821 1,823 1,827 35,833 7,834 1,837 1,838 2,854 16.5,855 12.15,856 7.528,857 4.242,858 4.62,859 1.519,860 1.045,861 6.358,862 13.525,863 3.98,864 4.603,865 5.232,866 5.837,867 6.382,868 6.727,869 7.157,870 7.534,871 7.771,872 7.91,873 1,874 57,875 12.962,877 5.566,878 7.371,879 25.947,881 22.447,883 1.871,884 65.5,888 353.133,889 205.791,890 41.045,894 45.192,895 160.599,896 353.133,897 41.045,898 8.396,899 37.59,900 113.286,902 39.942,903 14.2,904 341.362,905 45.192,906 353.133,907 201.644,909 45.192,911 258.964,912 94.169,915 57.5,916 134.667,917 9.476,918 45.192,919 353.133,920 41.045,921 205.791,924 353.133,925 38.916,926 127.931,927 34.796,928 45.192,929 353.133,930 41.045,931 205.791,933 0.587,934 0.354,935 0.192,936 0.099,937 30,938 12,939 0.056,940 4,941 2,942 1.133,943 4.732,944 342.134,945 0.133,946 30,947 177.525,949 1,951 22.78,952 9.769,953 4.628,954 5.035,955 24.259,956 23.864,958 3.493,961 3.853,963 34.796,964 599.969,965 52.5,971 5.798,972 2.346,974 2.21,975 65.854,976 74.726,977 0.224,978 0.596,979 0.819,980 0.921,981 0.944,982 0.954,983 5.232,984 1.64,985 6.129,986 5.923,987 4.745,988 5.291,989 2.15,990 6.954,991 4.683,992 6.436,993 1.618,994 7.695,995 4.543,996 4.29,997 5.103,998 1.494,999 7.861,1000 4.18,1001 7.748,1002 1.347,1003 9.36,1004 3.852,1005 6.354,1006 7.53,1007 2.8,1008 10.966,1009 6.238,1010 9.098,1011 1.282,1012 11.084,1013 3.653,1014 6.758,1015 8.237,1016 2.741,1017 12.705,1018 6.6,1019 10.482,1020 1.229,1021 12.846,1022 3.293,1023 8.252,1024 10.116,1025 3.769,1026 15.298,1027 8.089,1028 11.891,1029 1.135,1030 14.633,1031 3.012,1032 9.039,1033 11.244,1034 4,1035 17.367,1036 8.846,1037 13.318,1038 1.074,1039 16.437,1040 2.791,1041 10.304,1042 12.901,1043 4.853,1044 19.783,1045 10.103,1046 3.136,1047 1,1048 18.253,1049 2.383,1050 11.266,1051 14.229,1052 5.239,1053 21.992,1054 11.045,1055 3.055,1056 10.485,1057 20.079,1058 2.275,1059 12.436,1060 15.792,1061 5.985,1062 24.345,1063 12.206,1064 2.863,1065 10.253,1066 21.911,1067 4.516,1068 13.478,1069 17.213,1070 6.458,1071 26.616,1072 13.233,1073 2.775,1074 9.024,1075 23.749,1076 4.432,1077 14.61,1078 18.737,1079 7.14,1080 28.949,1081 14.357,1082 2.607,1083 8.609,1084 25.591,1085 3.561,1086 15.69,1087 20.2,1088 7.662,1089 31.25,1090 15.425,1091 2.085,1092 8.416,1093 27.436,1094 3.15,1095 16.809,1096 21.709,1097 8.307,1098 33.578,1099 16.536,1100 1.957,1101 6.242,1102 29.285,1103 2.892,1104 17.907,1105 23.191,1106 8.858,1107 35.894,1108 17.624,1109 19574,1110 27942,1111 27.739,1112 46.33,1113 61.069,1114 62.296,1115 61.823,1116 60.664,1117 60.587,1118 78.814,1119 7.014,1120 176.637,1121 58.635,1122 5.514,1123 5.896,1124 6.267,1125 5.166,1126 5.136,1127 7.516,1128 3.186,1129 17.358,1130 5.098,1131 11.388,1132 1.527,1133 1.557,1134 1.546,1135 1.517,1136 1.515,1137 1.97,1138 0.175,1139 4.416,1140 1.466,1141 4.159,1142 4.192,1143 4.122,1144 4.086,1145 4.982,1146 4.088,1147 4.078,1148 4.102,1149 4.054,1150 4.032,1151 4.931,1152 4.03,1153 3.867,1154 3.927,1155 3.904,1156 3.745,1157 4.771,1158 3.74,1159 3.82,1160 3.878,1161 3.736,1162 3.679,1163 4.444,1164 3.675,1165 3.506,1166 3.552,1167 3.618,1168 3.426,1169 4.368,1170 3.405,1171 3.416,1172 3.465,1173 3.352,1174 3.331,1175 4.326,1176 3.307,1177 3.253,1178 3.305,1179 3.241,1180 3.188,1181 4.104,1182 3.14,1183 3.136,1184 3.249,1185 2.965,1186 2.951,1187 3.886,1188 2.944,1189 0.114,1190 0.097,1191 0.164,1192 0.103,1193 0.078,1194 4.572,1195 0.113,1196 3.896,1197 0.045,1198 6.578,1199 0.262,1200 4.123,1201 0.077,1202 3.136,1203 4.516,1204 1.807,1205 10.485,1206 3.098,1207 2.071,1208 2.051,1209 2.151,1210 2.132,1211 1.346,1212 2.14,1213 1.994,1214 1.972,1215 2.088,1216 2.07,1217 1.293,1218 2.078,1219 1.764,1220 1.718,1221 1.934,1222 1.908,1223 1.278,1224 1.919,1225 1.686,1226 1.63,1227 1.868,1228 1.871,1229 1.143,1230 1.873,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.057,1236 1.795,1237 1.493,1238 1.452,1239 1.666,1240 1.635,1241 0.749,1242 1.643,1243 1.408,1244 1.336,1245 1.627,1246 1.61,1247 0.708,1248 1.629,1249 1.255,1250 1.223,1251 1.435,1252 1.408,1253 0.691,1254 1.425,1255 4.394,1257 5.733,1258 3.045,1259 7.266,1260 5.352,1261 8.884,1262 7.38,1263 10.545,1265 2.26,1271 7.712,1272 3.495,1275 0.662,1276 4.771,1280 42.648,1281 91.221,1282 242.376,1283 332.944,1284 374.163,1285 383.673,1286 387.673,1287 43.382,1288 8.904,1289 34.3,1290 66.39,1291 34,1292 12.894,1293 4.585,1294 3.755,1295 47.358,1296 182,1297 150,1298 0.125,1299 260.287,1300 443.27,1301 626.86,1302 118509,1304 23.777,1305 0.679,1306 0.602,1307 24.277,1308 21.074,1309 17.153,1310 0.429,1311 0.327,1312 12.627,1313 16.578,1314 12.271,1315 10.128,1316 17.442,1317 13.097,1318 15.526,1319 0.272,1320 0.181,1321 15.896,1322 10.324,1323 13.933,1324 0.176,1325 0.103,1326 14.286,1327 8.153,1328 11.782,1329 0.113,1330 0.057,1331 12.1,1332 5.958,1333 9.35,1334 0.072,1335 0.031,1336 9.593,1337 3.969,1338 0.203,1339 107.902,1340 0.19,1341 32.678,1342 0.328,1343 194,1344 402.816,1345 216.25,1346 431.491,1347 612.2,1348 408,1349 233,1350 456.526,1351 252.347,1352 479.976,1353 706.59,1354 454,1355 9.155} {0 CHEMBL117579,1 1.36,2 14.065,3 3.487,4 12.156,5 128.469,6 6.797,7 0.6,8 4.202,9 4.344,10 3.715,11 3.733,12 5.186,13 3.696,14 4.769,15 4.975,16 4.042,17 4.163,18 5.635,19 4.095,20 5.012,21 5.245,22 3.972,23 4.305,24 5.771,25 4.167,26 5.155,27 5.445,28 3.935,29 4.299,30 5.842,31 4.136,32 5.084,33 5.363,34 3.897,35 4.249,36 5.791,37 4.09,38 5.077,39 5.369,40 3.874,41 4.222,42 5.761,43 4.067,44 4.995,45 5.265,46 3.829,47 4.174,48 5.737,49 4.017,50 4.978,51 5.278,52 3.631,53 4.069,54 5.646,55 3.885,56 0.087,57 0.96,58 14.061,59 5.359,60 12.75,61 7.849,62 0.277,63 1.566,64 26.152,65 8.838,66 20.723,67 13.327,68 0.208,69 1.825,70 33.411,71 12.766,72 22.745,73 18.885,74 0.319,75 1.94,76 40.029,77 14.284,78 32.094,79 21.642,80 0.31,81 1.841,82 37.038,83 13.363,84 29.4,85 20.127,86 0.298,87 1.8,88 37.118,89 12.842,90 28.039,91 19.644,92 0.313,93 1.712,94 33.76,95 12.146,96 28.994,97 18.239,98 0.268,99 1.588,100 33.769,101 11.672,102 28.183,103 17.895,104 2,105 48,106 0.218,107 0.548,108 0.758,109 0.847,110 0.865,111 0.865,112 3.471,113 0.955,114 -5.14,115 -5.04,116 -4.71,119 41,121 2,122 1,124 1,125 5,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 7,176 3,178 10,182 6,186 3,189 7,192 1,193 8,199 5,203 7,206 2,211 6,215 5,222 6,225 1,226 6,229 2,231 2,233 5,237 3,244 4,248 2,249 4,252 1,256 5,259 1680,260 21.532,261 21.532,262 21.532,263 21.532,264 21.532,265 19.093,266 24.874,267 12.933,268 21.963,269 17.352,270 17.352,271 17.352,272 17.352,273 17.352,274 13.78,275 28.793,276 6.229,277 18.051,278 4.571,279 2.51,280 1.205,281 0.648,282 0.537,283 0.537,284 4.183,288 1,289 1,290 976,291 3.317,294 250.853,295 203.9,298 136.282,302 2.2,303 11.051,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 436,316 4.569,317 3.203,318 6.566,319 4.1,320 3.119,321 4.518,322 0.916,323 10.433,324 3.062,325 4.129,326 3.029,327 6.096,328 3.746,329 2.792,330 3.732,331 0.8,332 8.885,333 2.671,334 3.936,335 2.905,336 5.705,337 3.685,338 2.745,339 3.455,340 0.172,341 8.057,342 2.577,343 3.753,344 2.846,345 5.462,346 3.554,347 2.581,348 2.832,350 7.333,351 2.519,352 3.434,353 2.409,354 5.148,355 3.147,356 2.198,357 2.745,359 6.213,360 2.081,361 3.277,362 2.168,363 5.005,364 2.978,365 2.008,366 2.589,368 5.859,369 1.936,370 3.233,371 1.889,372 4.541,373 2.739,374 1.785,375 2.329,377 4.72,378 1.698,379 2.91,380 1.789,381 4.512,382 2.68,383 1.721,384 2.016,386 4.652,387 1.647,388 2.742,389 1.487,390 4.121,391 2.371,392 1.383,393 1.841,395 3.421,396 1.364,397 2.66,398 1.31,399 3.569,400 2.241,401 1.266,402 1.681,404 2.987,405 1.233,406 2.5,407 1.023,408 3.367,409 2,410 1,411 1.5,413 2.208,414 1,415 2.399,416 1,417 3.295,418 1.924,419 0.965,420 1.355,422 2.136,423 0.923,424 2.136,425 0.873,426 3.247,427 1.77,428 0.8,429 1.005,431 1.9,432 0.774,433 2.118,434 0.756,435 3.234,436 1.646,437 0.682,438 0.927,440 1.652,441 0.656,442 1.787,443 0.618,444 3.062,445 1.518,446 0.618,447 0.754,449 1.372,450 0.556,451 14.9,452 0.481,453 0.602,454 0.019,455 38.75,456 1.25,457 18,458 0.581,459 20.75,460 0.669,461 27.341,462 0.882,463 33.1,464 0.543,465 26.467,466 0.854,467 7.601,468 0.245,469 7.642,470 0.247,471 0.034,473 0.282,479 0.901,480 1.434,481 0.862,482 1.146,483 0.69,484 1.025,485 1.371,486 0.976,487 1.027,488 0.894,489 0.843,490 0.92,491 0.902,492 1.196,493 1.139,494 1.242,495 0.778,496 1.219,497 0.815,498 0.939,499 0.91,500 0.955,501 0.675,502 0.944,503 0.795,504 1.01,505 0.972,506 1.047,507 0.834,508 1.031,509 0.963,510 0.91,511 0.912,512 0.895,513 0.79,514 0.898,515 0.827,516 1.043,517 1.044,518 1.111,519 0.942,520 1.102,521 0.945,522 0.976,523 0.993,524 0.999,525 1.065,526 1.001,527 5.5,528 0.128,529 2.667,530 1.639,531 1.059,532 0.858,533 0.489,534 0.201,535 0.238,536 0.115,537 16096,538 34288,539 2.2,540 49.2,542 21,543 1,544 2,545 1,547 4,548 1,550 1.731,551 2.138,552 3.762,553 -0.393,559 82.962,560 1.36,561 3.421,562 4.726,563 5.283,564 5.394,565 5.394,566 3.232,567 4.632,568 4.926,569 3.962,570 1842.15,571 8.57,572 27922.7,574 1,577 361.775,578 1.058,579 4.918,580 0.157,581 0.005,582 0.056,583 0.039,584 0.026,585 0.023,586 0.013,587 0.006,588 0.008,589 0.004,590 0.337,591 0.33,592 0.88,593 0.32,594 165.185,595 0.144,596 -0.206,597 0.092,598 -0.079,599 0.237,600 -0.013,601 -0.111,602 0.18,603 -0.038,604 0.098,605 0.032,606 0.048,607 -0.094,608 -0.172,609 -0.185,610 -0.206,611 -0.034,612 -0.205,613 0.046,614 -0.014,615 0.069,616 0.033,617 0.124,618 0.05,619 0.078,620 -0.062,621 0.004,622 -0.054,623 0.028,624 -0.036,625 -0.034,626 0.025,627 0.074,628 0.082,629 0.043,630 0.088,631 0.095,632 -0.071,633 -0.067,634 -0.12,635 -0.025,636 -0.112,637 -0.04,638 -0.064,639 -0.008,640 -0.027,641 -0.107,642 -0.016,643 0.572,644 0.928,645 0.806,646 36.096,647 0.987,648 1.131,649 3.911,650 15.296,651 0.659,652 3.584,653 3.892,654 4.159,655 4.431,656 4.543,657 4.644,658 4.796,659 4.934,660 4.997,661 5.069,662 8.259,663 0.614,664 414.61,665 3.584,666 5.118,667 5.964,668 6.832,669 7.69,670 8.564,671 9.428,672 10.305,673 11.174,674 12.053,675 9.8,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 35,720 65,721 25,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 2,745 16,746 9,747 1,764 30,765 4,766 1,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,815 2,819 4,823 1,827 31,833 7,837 1,838 2,844 1,854 14.5,855 11,856 6.75,857 3.716,858 3.556,859 1.437,860 1.016,861 6.054,862 11.689,863 3.839,864 4.419,865 5.002,866 5.592,867 6.01,868 6.344,869 6.795,870 7.226,871 7.42,872 7.661,873 1,874 42,875 11.448,877 4.804,878 7.392,879 22.848,881 19.275,883 1.892,884 58.667,887 1,888 341.362,889 139.934,890 58.259,895 139.934,896 341.362,897 58.259,898 8.396,899 15.598,900 84.857,901 74.105,902 36.634,903 13.915,904 306.049,906 341.362,907 198.193,911 282.506,912 58.856,915 57.768,916 107.099,917 33.326,919 341.362,920 58.259,921 139.934,924 341.362,925 29.443,926 118.639,927 16.786,928 33.326,929 341.362,930 58.259,931 139.934,933 0.576,934 0.331,935 0.184,936 0.088,937 24,938 9,939 0.123,940 8,941 1,942 1.08,943 4.531,944 274.032,945 0.08,946 25,947 143.58,951 20.289,952 9.25,953 4.836,954 2.484,955 39.575,956 22.895,957 7.846,958 3.428,961 3.876,962 1.952,963 16.786,964 539.555,965 45.5,975 60.214,976 68.972,977 0.229,978 0.577,979 0.797,980 0.891,981 0.909,982 0.909,983 5.064,984 1.721,985 5.922,986 4.72,987 4.575,988 5.106,989 1.242,990 6.691,991 4.5,992 6.238,993 1.383,994 7.445,995 4.652,996 4.007,997 4.732,998 0.57,999 7.466,1000 3.89,1001 7.518,1002 1.266,1003 9.065,1004 3.421,1005 6.125,1006 7.268,1007 0.883,1008 10.562,1009 5.981,1010 8.836,1011 1,1012 10.744,1013 2.987,1014 6.431,1015 7.846,1016 0.581,1017 12.215,1018 6.248,1019 10.19,1020 0.965,1021 12.463,1022 2.208,1023 7.947,1024 9.774,1025 0.68,1026 14.788,1027 7.743,1028 11.57,1029 0.8,1030 14.211,1031 2.136,1032 8.66,1033 10.818,1034 0.515,1035 16.812,1036 8.424,1037 12.972,1038 0.682,1039 15.979,1040 1.9,1041 9.93,1042 12.492,1043 0.541,1044 19.211,1045 9.674,1046 3.119,1047 0.618,1048 17.763,1049 1.652,1050 10.842,1051 13.77,1052 0.441,1053 21.401,1054 10.56,1055 2.792,1056 10.433,1057 19.56,1058 1.372,1059 12.007,1060 15.337,1061 0.438,1062 23.744,1063 11.708,1064 2.745,1065 8.885,1066 21.368,1067 4.518,1068 13.017,1069 16.731,1070 0.373,1071 26.009,1072 12.697,1073 2.581,1074 8.057,1075 23.185,1076 3.732,1077 14.142,1078 18.254,1079 0.358,1080 28.337,1081 13.806,1082 2.198,1083 7.333,1084 25.009,1085 3.455,1086 15.201,1087 19.704,1088 0.314,1089 30.637,1090 14.848,1091 2.008,1092 6.213,1093 26.84,1094 2.832,1095 16.313,1096 21.212,1097 0.296,1098 32.964,1099 15.945,1100 1.785,1101 5.859,1102 28.676,1103 2.745,1104 17.398,1105 22.689,1106 0.264,1107 35.282,1108 17.015,1109 14687,1110 21643,1111 24.444,1112 40.171,1113 52.649,1114 51.851,1115 52.197,1116 52.056,1117 52.054,1118 67.415,1119 3.778,1120 145.474,1121 50.099,1122 5.531,1123 5.203,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.605,1129 17.106,1130 5.062,1131 7.393,1132 1.504,1133 1.481,1134 1.491,1135 1.487,1136 1.487,1137 1.926,1138 0.108,1139 4.156,1140 1.431,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.946,1148 3.997,1149 3.859,1150 3.861,1151 4.927,1152 3.855,1153 3.864,1154 3.92,1155 3.793,1156 3.729,1157 4.756,1158 3.727,1159 3.818,1160 3.888,1161 3.743,1162 3.578,1163 4.381,1164 3.618,1165 3.522,1166 3.606,1167 3.385,1168 3.328,1169 4.254,1170 3.332,1171 3.39,1172 3.457,1173 3.265,1174 3.23,1175 4.147,1176 3.23,1177 3.203,1178 3.286,1179 3.058,1180 3.006,1181 3.844,1182 3.009,1183 2.984,1184 3.065,1185 2.814,1186 2.838,1187 3.674,1188 2.82,1189 0.131,1190 0.092,1191 0.188,1192 0.117,1193 0.089,1194 4.569,1195 0.129,1196 3.203,1197 0.026,1198 6.566,1199 0.298,1200 4.1,1201 0.087,1202 3.119,1203 4.518,1204 0.916,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.052,1210 2.052,1211 1.336,1212 2.049,1213 1.917,1214 1.884,1215 2.039,1216 2.019,1217 1.268,1218 2.032,1219 1.703,1220 1.643,1221 1.92,1222 1.885,1223 1.151,1224 1.895,1225 1.674,1226 1.614,1227 1.876,1228 1.854,1229 1.114,1230 1.873,1231 1.445,1232 1.369,1233 1.689,1234 1.694,1235 0.906,1236 1.682,1237 1.386,1238 1.316,1239 1.625,1240 1.616,1241 0.801,1242 1.633,1243 1.351,1244 1.272,1245 1.514,1246 1.576,1247 0.585,1248 1.574,1249 1.078,1250 0.982,1251 1.367,1252 1.442,1253 0.516,1254 1.379,1255 4.263,1257 5.572,1258 3.434,1259 7.054,1260 5.687,1261 8.615,1262 7.678,1263 10.221,1265 2.245,1271 8.083,1275 0.761,1276 5.096,1280 37.45,1281 82.962,1282 208.663,1283 288.265,1284 322.265,1285 329.02,1286 329.02,1287 36.421,1288 8.132,1289 52.98,1290 52.98,1291 27,1292 12.591,1293 4.459,1294 3.524,1295 43.969,1296 156,1297 148,1298 0.135,1299 228.031,1300 377.9,1301 548.156,1302 46781,1304 21.045,1305 0.679,1306 0.584,1307 21.045,1308 18.114,1309 15.242,1310 0.435,1311 0.318,1312 11.002,1313 14.726,1314 10.717,1315 8.903,1316 15.242,1317 11.143,1318 13.582,1319 0.283,1320 0.183,1321 13.582,1322 8.801,1323 11.461,1324 0.182,1325 0.102,1326 11.461,1327 6.4,1328 9.857,1329 0.119,1330 0.058,1331 9.857,1332 4.812,1333 7.099,1334 0.076,1335 0.033,1336 7.099,1337 3.062,1338 0.22,1339 94.792,1340 0.202,1341 29.91,1342 0.348,1343 166,1344 378.558,1345 176.852,1346 378.423,1347 533.47,1348 358,1349 194,1350 406.124,1351 207.128,1352 418.308,1353 603.47,1354 391,1355 8.81} {0 CHEMBL117633,1 1.36,2 14.903,3 3.983,4 15.863,5 128.305,6 6.797,7 0.6,8 4.202,9 4.344,10 3.715,11 3.733,12 5.177,13 3.696,14 4.769,15 4.974,16 4.03,17 4.153,18 5.636,19 4.083,20 5.027,21 5.273,22 3.98,23 4.305,24 5.77,25 4.171,26 5.118,27 5.388,28 3.882,29 4.307,30 5.807,31 4.132,32 5.133,33 5.443,34 3.819,35 4.207,36 5.77,37 4.029,38 4.955,39 5.238,40 3.819,41 4.12,42 5.662,43 3.979,44 4.914,45 5.178,46 3.792,47 4.109,48 5.666,49 3.961,50 4.937,51 5.233,52 3.605,53 4.031,54 5.618,55 3.852,56 0.087,57 0.96,58 14.061,59 5.359,60 11.943,61 7.849,62 0.271,63 1.564,64 26.142,65 8.815,66 20.129,67 13.318,68 0.282,69 1.834,70 34.311,71 12.663,72 24.031,73 18.831,74 0.223,75 1.895,76 37.86,77 14.526,78 27.128,79 21.6,80 0.327,81 1.832,82 39.655,83 13.8,84 30.141,85 21.128,86 0.293,87 1.629,88 32.767,89 11.153,90 24.378,91 17.084,92 0.26,93 1.595,94 30.991,95 11.133,96 25.464,97 16.762,98 0.303,99 1.543,100 32.455,101 10.93,102 26.932,103 16.813,105 47,106 0.218,107 0.523,108 0.688,109 0.796,110 0.814,111 0.835,112 3.471,113 0.967,114 -5.14,115 -5.04,116 -4.71,119 41,121 3,125 6,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 4,176 3,178 13,181 1,182 4,186 3,189 10,193 8,197 1,199 4,203 10,206 1,211 2,215 7,218 1,222 1,226 6,229 2,233 1,236 1,237 6,244 2,249 2,252 1,256 4,259 1707,260 21.792,261 21.792,262 21.792,263 21.792,264 21.792,265 19.353,266 23.876,267 13.201,268 22.251,269 17.335,270 17.335,271 17.335,272 17.335,273 17.335,274 13.753,275 25.202,276 6.329,277 18.071,278 4.571,279 2.666,280 1.636,281 0.963,282 0.852,283 0.721,284 4.187,288 1,289 1,290 1038,291 3,294 164.979,295 316.894,298 140.379,302 2.37,303 10.916,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 462,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.995,327 6.095,328 3.69,329 2.753,330 3.731,331 0.8,332 8.884,333 2.578,334 3.905,335 2.883,336 5.509,337 3.613,338 2.676,339 3.445,341 7.438,342 2.549,343 3.647,344 2.733,345 5.338,346 3.483,347 2.504,348 2.813,350 6.961,351 2.41,352 3.432,353 2.512,354 5.139,355 3.124,356 2.194,357 2.654,359 6.312,360 2.052,361 3.254,362 2.181,363 5.092,364 2.991,365 2.02,366 2.589,368 5.992,369 1.942,370 3.2,371 1.795,372 4.514,373 2.73,374 1.776,375 2.235,377 4.655,378 1.69,379 2.902,380 1.589,381 4.134,382 2.496,383 1.499,384 2.047,386 3.483,387 1.494,388 2.742,389 1.37,390 3.642,391 2.314,392 1.329,393 1.847,395 3.152,396 1.307,397 2.5,398 1.169,399 3.474,400 2.096,401 1.131,402 1.5,404 2.55,405 1.089,406 2.428,407 1.146,408 3.414,409 2,410 1,411 1.403,413 2.275,414 1,415 2.263,416 1,417 3.32,418 1.967,419 1,420 1.207,422 2.136,423 0.965,424 2.118,425 0.944,426 3.247,427 1.866,428 0.901,429 1,431 2.106,432 0.868,433 2.004,434 0.785,435 3.19,436 1.669,437 0.696,438 0.927,440 1.628,441 0.675,442 2,443 0.637,444 3.086,445 1.532,446 0.618,447 0.857,449 1.372,450 0.556,451 14.9,452 0.481,453 0.496,454 0.016,455 38.75,456 1.25,457 18,458 0.581,459 20.75,460 0.669,461 26.883,462 0.867,463 33.1,464 0.543,465 25.708,466 0.829,467 7.595,468 0.245,469 7.754,470 0.25,473 0.248,479 0.901,480 1.434,481 0.862,482 1.146,483 0.648,484 1.025,485 1.359,486 1.047,487 1.053,488 0.955,489 0.86,490 0.969,491 1.006,492 0.983,493 1.092,494 1.062,495 0.786,496 1.082,497 0.682,498 1.13,499 1.032,500 1.192,501 0.72,502 1.155,503 0.78,504 0.886,505 0.839,506 0.882,507 0.716,508 0.869,509 1.014,510 0.928,511 0.932,512 0.905,513 0.805,514 0.909,515 0.845,516 1.116,517 1.033,518 1.135,519 0.895,520 1.109,521 1.061,522 0.947,523 1.056,524 0.998,525 1.165,526 1.021,527 4.5,528 0.078,529 2.889,530 0.819,531 0.997,532 0.764,533 0.364,534 0.242,535 0.183,536 0.148,537 16999,538 36137,539 2.221,540 49.2,541 2,542 20,543 1,544 2,545 1,547 4,550 1.728,551 2.188,552 3.834,553 -0.393,559 82.962,560 1.36,561 3.265,562 4.295,563 4.968,564 5.078,565 5.209,566 3.284,567 4.374,568 4.925,569 4.043,570 1879.99,571 8.555,572 29182.7,574 1,577 361.775,578 0.824,579 4.929,580 0.129,581 0.003,582 0.061,583 0.019,584 0.027,585 0.022,586 0.01,587 0.007,588 0.007,589 0.006,590 0.291,591 0.33,592 0.88,594 166.591,595 0.144,596 -0.206,597 0.092,598 -0.079,599 0.269,600 -0.013,601 -0.098,602 0.108,603 -0.064,604 0.036,605 0.024,606 -0.003,607 -0.104,608 0.037,609 -0.125,610 -0.048,611 -0.028,612 -0.082,613 0.016,614 -0.194,615 -0.076,616 -0.166,617 0.045,618 -0.137,619 0.091,620 0.001,621 0.149,622 0.09,623 0.135,624 0.119,625 -0.007,626 0.034,627 0.058,628 0.066,629 0.057,630 0.068,631 0.076,632 -0.135,633 -0.058,634 -0.14,635 0.008,636 -0.117,637 -0.057,638 -0.011,639 -0.064,640 -0.038,641 -0.164,642 -0.049,643 0.565,644 0.922,645 0.839,646 38.656,647 0.987,648 1.131,649 3.911,650 15.296,651 0.659,652 3.584,653 3.871,654 4.143,655 4.382,656 4.554,657 4.615,658 4.745,659 4.875,660 4.942,661 4.984,662 8.712,663 0.614,664 414.61,665 3.584,666 5.106,667 5.948,668 6.804,669 7.659,670 8.52,671 9.382,672 10.248,673 11.114,674 11.984,675 9.8,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 35,720 65,721 25,722 16,723 4,724 8,730 5,731 6,743 3,745 16,746 9,764 30,765 4,766 1,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,827 31,833 9,838 2,844 1,854 14.167,855 10.667,856 6.833,857 3.866,858 3.559,859 1.438,860 1.023,861 6.33,862 11.68,863 3.839,864 4.407,865 4.996,866 5.574,867 6.007,868 6.328,869 6.773,870 7.197,871 7.394,872 7.61,873 0.9,874 43,875 11.454,877 4.791,878 7.382,879 22.908,881 19.231,883 1.882,884 58.333,887 1,888 341.362,889 136.177,890 58.259,895 136.177,896 341.362,897 58.259,899 20.238,900 84.857,901 74.105,902 36.634,903 13.915,904 306.049,906 341.362,907 194.437,911 294.278,912 47.084,915 62.408,916 98.702,917 33.326,919 341.362,920 58.259,921 136.177,924 341.362,925 34.083,926 110.242,927 16.786,928 33.326,929 341.362,930 58.259,931 136.177,933 0.57,934 0.331,935 0.178,936 0.091,937 23,938 8,939 0.123,940 8,941 1,942 1.077,943 4.615,944 268.895,945 0.077,946 26,947 138.825,951 20.289,952 9.672,953 5.001,954 2.496,955 39.575,956 22.957,957 7.837,958 3.422,961 3.938,962 1.952,963 16.786,964 535.799,965 45.5,975 60.214,976 68.972,977 0.229,978 0.55,979 0.724,980 0.838,981 0.856,982 0.878,983 5.051,984 1.499,985 5.889,986 4.655,987 4.554,988 5.094,989 1.072,990 6.64,991 4.476,992 6.214,993 1.329,994 7.401,995 3.483,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.759,1001 7.488,1002 1.131,1003 9.012,1004 3.152,1005 6.084,1006 7.256,1007 0.653,1008 10.491,1009 5.93,1010 8.802,1011 1,1012 10.686,1013 2.55,1014 6.33,1015 7.822,1016 0.479,1017 12.154,1018 6.128,1019 10.154,1020 1,1021 12.403,1022 2.275,1023 7.889,1024 9.764,1025 0.432,1026 14.719,1027 7.67,1028 11.534,1029 0.901,1030 14.15,1031 2.136,1032 8.564,1033 10.806,1034 0.346,1035 16.756,1036 8.31,1037 12.936,1038 0.696,1039 15.918,1040 2.106,1041 9.857,1042 12.486,1043 0.291,1044 19.154,1045 9.586,1046 3.118,1047 0.618,1048 17.704,1049 1.628,1050 10.747,1051 13.765,1052 0.237,1053 21.355,1054 10.453,1055 2.753,1056 10.431,1057 19.503,1058 1.372,1059 11.925,1060 15.333,1061 0.195,1062 23.701,1063 11.615,1064 2.676,1065 8.884,1066 21.313,1067 4.518,1068 12.924,1069 16.728,1070 0.158,1071 25.974,1072 12.598,1073 2.504,1074 7.438,1075 23.132,1076 3.731,1077 14.057,1078 18.252,1079 0.129,1080 28.306,1081 13.717,1082 2.194,1083 6.961,1084 24.959,1085 3.445,1086 15.112,1087 19.702,1088 0.104,1089 30.612,1090 14.759,1091 2.02,1092 6.312,1093 26.792,1094 2.813,1095 16.229,1096 21.211,1097 0.084,1098 32.943,1099 15.864,1100 1.776,1101 5.992,1102 28.631,1103 2.654,1104 17.314,1105 22.688,1106 0.068,1107 35.265,1108 16.938,1109 15427,1110 22703,1111 24.731,1112 40.171,1113 52.124,1114 51.386,1115 51.576,1116 51.608,1117 51.594,1118 66.962,1119 3.2,1120 141.547,1121 49.594,1122 5.568,1123 5.197,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1132 1.489,1133 1.468,1134 1.474,1135 1.475,1136 1.474,1137 1.913,1138 0.091,1139 4.044,1140 1.417,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.07,1147 3.941,1148 3.99,1149 3.855,1150 3.866,1151 4.927,1152 3.858,1153 3.84,1154 3.91,1155 3.789,1156 3.652,1157 4.753,1158 3.662,1159 3.812,1160 3.878,1161 3.712,1162 3.578,1163 4.381,1164 3.615,1165 3.54,1166 3.612,1167 3.395,1168 3.38,1169 4.256,1170 3.378,1171 3.35,1172 3.42,1173 3.223,1174 3.201,1175 4.016,1176 3.194,1177 3.242,1178 3.317,1179 3.09,1180 3.079,1181 3.845,1182 3.074,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.697,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.197,1197 0.023,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.074,1210 2.063,1211 1.374,1212 2.068,1213 1.926,1214 1.893,1215 2.045,1216 2.044,1217 1.273,1218 2.045,1219 1.798,1220 1.73,1221 1.988,1222 1.972,1223 1.181,1224 1.986,1225 1.649,1226 1.59,1227 1.859,1228 1.826,1229 1.094,1230 1.841,1231 1.421,1232 1.348,1233 1.652,1234 1.672,1235 0.864,1236 1.656,1237 1.377,1238 1.31,1239 1.562,1240 1.585,1241 0.825,1242 1.593,1243 1.258,1244 1.186,1245 1.513,1246 1.456,1247 0.71,1248 1.48,1249 1.153,1250 1.064,1251 1.473,1252 1.442,1253 0.579,1254 1.429,1255 4.263,1257 5.557,1258 3.045,1259 7.038,1260 5.283,1261 8.602,1262 7.286,1263 10.211,1271 10.504,1276 5.228,1280 37.45,1281 82.962,1282 199.153,1283 262.001,1284 303.02,1285 309.775,1286 317.775,1287 35.37,1288 8.121,1289 52.98,1290 52.98,1291 28,1292 12.528,1293 4.459,1294 3.524,1295 44.101,1296 165,1297 157,1298 0.127,1299 228.031,1300 377.9,1301 548.156,1302 47482,1304 20.882,1305 0.674,1306 0.579,1307 20.882,1308 17.951,1309 15.348,1310 0.439,1311 0.322,1312 11.15,1313 14.83,1314 10.936,1315 9.026,1316 15.348,1317 11.287,1318 13.278,1319 0.283,1320 0.179,1321 13.278,1322 8.435,1323 11.53,1324 0.186,1325 0.103,1326 11.53,1327 6.413,1328 9.52,1329 0.121,1330 0.057,1331 9.52,1332 4.529,1333 7.34,1334 0.078,1335 0.034,1336 7.34,1337 3.164,1338 0.21,1339 95.345,1340 0.201,1341 30.191,1342 0.321,1343 164,1344 376.558,1345 175.185,1346 374.965,1347 530.71,1348 356,1349 191,1350 405.476,1351 204.017,1352 413.742,1353 598.62,1354 390,1355 8.812} {0 CHEMBL118012,1 1.442,2 15,3 2.769,4 7.665,5 133.62,6 6.841,7 0.568,8 4.267,9 4.406,10 3.771,11 3.785,12 5.275,13 3.752,14 4.829,15 5.023,16 4.097,17 4.214,18 5.731,19 4.146,20 5.124,21 5.371,22 4.096,23 4.371,24 5.925,25 4.247,26 5.214,27 5.479,28 4.047,29 4.394,30 5.988,31 4.243,32 5.245,33 5.528,34 4.01,35 4.355,36 6.001,37 4.196,38 5.187,39 5.466,40 3.962,41 4.287,42 5.973,43 4.138,44 5.106,45 5.386,46 3.872,47 4.209,48 5.884,49 4.05,50 5.006,51 5.303,52 3.672,53 4.091,54 5.696,55 3.916,56 0.097,57 1.008,58 15.039,59 5.773,60 13.418,61 8.297,62 0.266,63 1.641,64 27.593,65 9.709,66 23.855,67 14.352,68 0.349,69 1.98,70 38.121,71 13.525,72 35.055,73 20.304,74 0.34,75 2.069,76 42.153,77 15.178,78 40.971,79 22.652,80 0.367,81 2.027,82 44.17,83 15.709,84 44.182,85 23.417,86 0.425,87 1.915,88 41.978,89 14.156,90 45.629,91 21.207,92 0.445,93 1.794,94 38.595,95 13.075,96 44.937,97 19.755,98 0.345,99 1.622,100 34.964,101 11.498,102 30.929,103 17.842,104 3,105 50,106 0.228,107 0.577,108 0.763,109 0.831,110 0.852,111 0.852,112 3.531,113 0.964,114 -4.59,115 -4.51,116 -4.24,119 40,121 4,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 6,178 12,182 3,185 1,186 6,189 8,193 6,195 1,197 5,199 7,203 6,206 1,208 5,211 8,215 5,218 1,220 2,222 7,226 5,229 3,231 1,233 4,236 1,237 5,242 3,244 3,249 1,254 2,256 5,259 1949,260 23.162,261 23.162,262 23.162,263 23.162,264 23.162,265 20.748,266 28.49,267 13.914,268 23.58,269 18.251,270 18.251,271 18.251,272 18.251,273 18.251,274 14.699,275 40.116,276 6.552,277 18.954,278 4.58,279 2.379,280 1.208,281 0.773,282 0.646,283 0.646,284 4.244,289 1,290 1102,291 3.464,294 180.166,295 343.49,298 153.987,302 2.303,303 18.284,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70,315 495,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.181,327 6.157,328 3.85,329 2.876,330 3.731,331 0.657,332 9.114,333 2.803,334 4.082,335 2.893,336 6.095,337 3.69,338 2.753,339 3.55,341 8.884,342 2.578,343 3.649,344 2.858,345 5.478,346 3.556,347 2.603,348 2.813,350 7.335,351 2.483,352 3.433,353 2.393,354 5.15,355 3.15,356 2.197,357 2.674,359 6.375,360 2.089,361 3.286,362 2.18,363 5.109,364 2.998,365 2.023,366 2.591,368 5.994,369 1.964,370 3.244,371 1.896,372 4.514,373 2.763,374 1.786,375 2.393,377 4.655,378 1.744,379 3.029,380 1.794,381 4.375,382 2.728,383 1.77,384 2.108,386 4.272,387 1.689,388 2.742,389 1.37,390 4.133,391 2.314,392 1.329,393 1.847,395 3.48,396 1.308,397 2.5,398 1.346,399 3.501,400 2.144,401 1.168,402 1.5,404 2.652,405 1.136,406 2.478,407 1.169,408 3.457,409 2.077,410 1.112,411 1.473,413 2.5,414 1.069,415 2.421,416 1.077,417 3.414,418 2,419 1,420 1.393,422 2.275,423 1,424 2.252,425 1,426 3.316,427 1.984,428 1,429 1.193,431 2.136,432 0.983,433 2.118,434 0.952,435 3.247,436 1.86,437 0.895,438 1,440 2.096,441 0.862,442 2,443 0.855,444 3.177,445 1.564,446 0.618,447 0.927,449 1.468,450 0.58,451 15.733,452 0.477,453 0.547,454 0.017,455 39.75,456 1.205,457 18,458 0.545,459 21.75,460 0.659,461 30.83,462 0.934,463 35.867,464 0.552,465 27.835,466 0.843,467 7.694,468 0.233,469 8.603,470 0.261,471 0.021,473 0.273,479 0.964,480 1.358,481 0.882,482 1.106,483 0.88,484 1.005,485 1.109,486 1.139,487 1.049,488 1.043,489 0.878,490 1.036,491 0.863,492 1.037,493 1.028,494 1.045,495 0.651,496 1.049,497 0.82,498 1.036,499 1.028,500 1.103,501 0.73,502 1.091,503 0.849,504 0.981,505 0.914,506 1.02,507 0.966,508 0.988,509 1.148,510 0.943,511 0.979,512 0.958,513 1.295,514 0.959,515 0.937,516 0.986,517 0.993,518 1.002,519 1.076,520 1.011,521 0.843,522 0.908,523 1.028,524 0.966,525 0.649,526 1.001,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.882,533 0.505,534 0.301,535 0.208,536 0.148,537 19361,538 43863,539 2.187,540 49.2,541 2,542 18,543 1,544 2,545 3,547 2,548 4,550 1.745,551 2.129,552 3.842,553 0.802,559 93.733,560 1.442,561 3.644,562 4.814,563 5.249,564 5.376,565 5.376,566 3.268,567 4.56,568 5.019,569 4.057,570 2141.96,571 8.745,572 34639.4,577 391.454,578 1.027,579 5.01,580 0.135,581 0.004,582 0.067,583 0.027,584 0.027,585 0.021,586 0.013,587 0.008,588 0.007,589 0.006,590 0.315,591 0.17,592 0.88,593 0.459,594 180.281,595 0.014,596 -0.111,597 0.064,598 -0.011,599 0.012,600 0.021,601 -0.088,602 0.025,603 -0.081,604 -0.013,605 -0.063,606 -0.043,607 -0.032,608 -0.01,609 -0.065,610 -0.031,611 0.04,612 -0.047,613 -0.017,614 -0.064,615 -0.064,616 -0.093,617 0.031,618 -0.084,619 0.042,620 -0.072,621 0.064,622 -0.022,623 0.046,624 0.016,625 -0.051,626 -0.02,627 0.018,628 0.019,629 -0.059,630 0.023,631 0.054,632 -0.051,633 -0.004,634 -0.026,635 -0.048,636 -0.027,637 -0.048,638 0.038,639 -0.048,640 -0.009,641 -0.061,642 -0.023,643 1.367,644 3.832,645 0.788,646 39.824,647 0.991,648 1.132,649 3.356,650 11.264,651 0.652,652 3.638,653 3.932,654 4.22,655 4.466,656 4.635,657 4.691,658 4.828,659 4.949,660 4.984,661 5.011,662 8.875,663 0.611,664 444.64,665 3.638,666 5.165,667 6.014,668 6.876,669 7.738,670 8.606,671 9.474,672 10.344,673 11.215,674 12.088,675 9.2,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 65,716 21,717 2,718 37,720 69,721 26,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 16,746 10,764 32,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 33,832 1,833 8,834 1,837 2,838 1,844 1,847 1.5,848 1,854 15.5,855 11.083,856 7.361,857 4.041,858 3.505,859 1.427,860 0.986,861 7.055,862 11.718,863 3.882,864 4.443,865 5.035,866 5.613,867 6.043,868 6.365,869 6.808,870 7.214,871 7.398,872 7.612,873 0.9,874 48,875 12.21,877 5.162,878 7.5,879 24.157,881 20.421,883 2,884 66,888 341.362,889 132.395,890 73.146,892 42.683,895 132.395,896 384.045,897 73.146,899 16.455,900 145.551,901 74.105,902 33.51,903 13.915,904 306.049,906 341.362,907 205.541,908 42.683,911 270.735,912 70.627,913 42.683,915 73.512,916 98.702,917 33.326,919 341.362,920 115.829,921 132.395,924 341.362,925 30.3,926 107.118,927 34.796,928 76.009,929 341.362,930 115.829,931 132.395,933 0.569,934 0.339,935 0.187,936 0.095,937 24,938 9,939 0.13,940 9,941 1,942 1.077,943 4.689,944 295.522,945 0.077,946 26,947 154.465,951 22.146,952 10.513,953 5.297,954 2.45,955 97.144,956 22.293,957 7.828,958 3.409,961 3.61,962 1.938,963 77.48,964 589.586,965 47.5,975 64.425,976 73.597,977 0.239,978 0.605,979 0.799,980 0.872,981 0.893,982 0.893,983 5.101,984 1.77,985 5.964,986 4.655,987 4.615,988 5.13,989 1.038,990 6.737,991 4.543,992 6.265,993 1.329,994 7.492,995 4.272,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.899,1001 7.543,1002 1.168,1003 9.121,1004 3.48,1005 6.168,1006 7.285,1007 0.607,1008 10.646,1009 6.029,1010 8.86,1011 1.112,1012 10.812,1013 2.652,1014 6.463,1015 7.862,1016 0.268,1017 12.338,1018 6.288,1019 10.216,1020 1,1021 12.545,1022 2.5,1023 8,1024 9.79,1025 0.359,1026 14.906,1027 7.803,1028 11.599,1029 1,1030 14.306,1031 2.275,1032 8.712,1033 10.837,1034 0.188,1035 16.949,1036 8.486,1037 13.003,1038 0.895,1039 16.088,1040 2.136,1041 9.993,1042 12.509,1043 0.214,1044 19.344,1045 9.748,1046 3.118,1047 0.618,1048 17.884,1049 2.096,1050 10.907,1051 13.788,1052 0.125,1053 21.537,1054 10.638,1055 2.876,1056 10.431,1057 19.691,1058 1.468,1059 12.079,1060 15.352,1061 0.129,1062 23.874,1063 11.793,1064 2.753,1065 9.114,1066 21.507,1067 4.518,1068 13.09,1069 16.745,1070 0.082,1071 26.134,1072 12.785,1073 2.603,1074 8.884,1075 23.331,1076 3.731,1077 14.218,1078 18.267,1079 0.079,1080 28.455,1081 13.898,1082 2.197,1083 7.335,1084 25.16,1085 3.55,1086 15.278,1087 19.715,1088 0.054,1089 30.747,1090 14.941,1091 2.023,1092 6.375,1093 26.994,1094 2.813,1095 16.391,1096 21.221,1097 0.048,1098 33.066,1099 16.039,1100 1.786,1101 5.994,1102 28.833,1103 2.674,1104 17.476,1105 22.697,1106 0.035,1107 35.375,1108 17.109,1109 17730,1110 26861,1111 25.83,1112 42.387,1113 55.018,1114 54.806,1115 55.258,1116 54.449,1117 54.509,1118 69.885,1119 2.915,1120 151.509,1121 52.519,1122 5.568,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 8.022,1132 1.487,1133 1.481,1134 1.493,1135 1.472,1136 1.473,1137 1.889,1138 0.079,1139 4.095,1140 1.419,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 6.456,1146 4.07,1147 3.958,1148 4.005,1149 3.876,1150 3.874,1151 5.135,1152 3.869,1153 3.847,1154 3.912,1155 3.79,1156 3.702,1157 4.927,1158 3.7,1159 3.819,1160 3.885,1161 3.724,1162 3.585,1163 4.754,1164 3.623,1165 3.555,1166 3.624,1167 3.416,1168 3.395,1169 4.385,1170 3.394,1171 3.431,1172 3.491,1173 3.294,1174 3.253,1175 4.257,1176 3.256,1177 3.277,1178 3.344,1179 3.159,1180 3.113,1181 4.076,1182 3.115,1183 3.111,1184 3.206,1185 2.904,1186 2.941,1187 3.871,1188 2.91,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.197,1197 0.022,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.083,1210 2.07,1211 1.431,1212 2.078,1213 1.932,1214 1.899,1215 2.043,1216 2.048,1217 1.28,1218 2.046,1219 1.831,1220 1.772,1221 2.01,1222 1.98,1223 1.188,1224 1.994,1225 1.663,1226 1.608,1227 1.873,1228 1.83,1229 1.113,1230 1.847,1231 1.436,1232 1.372,1233 1.66,1234 1.683,1235 0.837,1236 1.673,1237 1.395,1238 1.328,1239 1.58,1240 1.639,1241 0.825,1242 1.628,1243 1.304,1244 1.241,1245 1.513,1246 1.51,1247 0.748,1248 1.517,1249 1.153,1250 1.064,1251 1.485,1252 1.442,1253 0.581,1254 1.429,1255 4.317,1257 5.617,1258 3.045,1259 7.107,1260 5.283,1261 8.683,1262 7.286,1263 10.303,1270 9.832,1271 7.917,1272 3.666,1275 0.482,1276 2.575,1280 39.692,1281 93.733,1282 236.832,1283 312.925,1284 341.189,1285 349.454,1286 349.454,1287 46.817,1288 8.213,1289 82,1290 82,1291 28,1292 12.63,1293 4.459,1294 3.524,1295 48.289,1296 181,1297 152,1298 0.128,1299 241.62,1300 403.99,1301 581.312,1302 52275,1304 22.46,1305 0.681,1306 0.573,1307 22.46,1308 18.898,1309 16.297,1310 0.44,1311 0.321,1312 11.746,1313 15.739,1314 11.543,1315 9.526,1316 16.297,1317 11.892,1318 13.999,1319 0.28,1320 0.179,1321 13.999,1322 8.945,1323 12.299,1324 0.184,1325 0.101,1326 12.299,1327 6.797,1328 10.246,1329 0.119,1330 0.057,1331 10.246,1332 4.908,1333 7.917,1334 0.078,1335 0.034,1336 7.917,1337 3.449,1338 0.21,1339 101.54,1340 0.197,1341 31.603,1342 0.325,1343 174,1344 413.396,1345 186.596,1346 407.568,1347 570.67,1348 386,1349 204,1350 428.569,1351 218.012,1352 436.426,1353 633.66,1354 412,1355 8.77} {0 CHEMBL118360,1 1.454,2 13.103,3 3.63,4 13.178,5 115.862,6 7.413,7 0.581,8 4.024,9 4.14,10 3.587,11 3.593,12 5.183,13 3.568,14 4.507,15 4.686,16 3.87,17 3.93,18 5.602,19 3.888,20 4.656,21 4.821,22 3.931,23 4.076,24 5.786,25 4.004,26 4.789,27 5.02,28 3.846,29 4.051,30 5.852,31 3.95,32 4.656,33 4.858,34 3.803,35 3.967,36 5.788,37 3.879,38 4.62,39 4.829,40 3.764,41 3.89,42 5.731,43 3.805,44 4.555,45 4.753,46 3.71,47 3.851,48 5.6,49 3.769,50 4.682,51 4.918,52 3.631,53 3.824,54 5.75,55 3.732,56 0.022,57 0.71,58 10.151,59 4.577,60 8.359,61 5.939,62 0.24,63 1.113,64 18.828,65 7.05,66 23.129,67 9.351,68 0.109,69 1.258,70 21.059,71 9.107,72 27.044,73 11.922,74 0.211,75 1.361,76 26.894,77 10.652,78 44.448,79 14.449,80 0.133,81 1.213,82 22.466,83 9.257,84 42.243,85 12.366,86 0.383,87 1.171,88 22.344,89 8.472,90 45.812,91 11.48,92 0.115,93 1.131,94 20.035,95 7.869,96 21.827,97 10.607,98 0.481,99 1.208,100 25.511,101 8.555,102 54.08,103 11.175,104 24,105 41,106 0.24,107 0.582,108 0.728,109 0.806,110 0.815,111 0.815,112 3.407,113 0.89,114 -4.06,115 -4.01,116 -3.8,119 46.2,124 3,125 1,139 2,140 9,141 4,142 2,143 2,156 1,169 13,172 6,174 1,176 3,178 15,182 7,186 4,189 13,193 8,197 3,199 9,203 6,208 2,211 7,214 2,215 6,218 1,220 3,222 9,226 2,233 9,236 1,237 4,240 2,244 10,249 2,256 9,259 1476,260 19.646,261 19.646,262 19.646,263 19.646,264 19.646,265 17.119,266 17.489,267 11.844,268 20.038,269 15.247,270 15.247,271 15.247,272 15.247,273 15.247,274 11.435,275 19.949,276 5.559,277 15.737,278 4.247,279 2.181,280 1.299,281 0.827,282 0.774,283 0.774,284 4.091,288 1,289 1,290 798,291 3.742,295 328.59,302 2.114,303 20.309,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 61.5,315 380,316 4.388,317 3.582,318 6.249,319 3.966,320 2.977,321 4.033,322 1.058,323 9.407,324 2.944,325 4.246,326 3.221,327 6.143,328 3.862,329 2.867,330 3.889,331 1.053,332 9.056,333 2.855,334 4.009,335 2.87,336 5.921,337 3.609,338 2.629,339 3.393,340 0.86,341 8.268,342 2.568,343 3.756,344 2.821,345 5.301,346 3.293,347 2.307,348 3.187,349 0.249,350 6.784,351 2.271,352 3.618,353 2.459,354 4.666,355 3.137,356 2.219,357 2.628,359 5.191,360 2.036,361 3.257,362 2.222,363 4.466,364 2.775,365 1.81,366 2.562,368 4.549,369 1.745,370 3.094,371 1.949,372 4.408,373 2.615,374 1.656,375 2.101,377 4.31,378 1.582,379 2.815,380 1.822,381 4.048,382 2.325,383 1.332,384 1.864,386 3.383,387 1.309,388 2.717,389 1.665,390 3.498,391 2.086,392 1.118,393 1.645,395 2.664,396 1.077,397 2.614,398 1.191,399 3.414,400 2,401 1,402 1.514,404 2.275,405 1,406 2.5,407 1.049,408 3.288,409 1.987,410 1,411 1.5,413 2.172,414 0.985,415 2.5,416 1,417 3.247,418 1.984,419 1,420 1.5,422 2.136,423 0.983,424 1.752,425 1,426 2.932,427 1.46,428 0.566,429 0.643,431 0.988,432 0.5,433 1.323,434 0.519,435 2.704,436 0.946,437 -0.041,438 -0.052,440 -0.095,441 -0.04,442 1.119,443 0.467,444 2.393,445 0.864,446 -0.09,447 -0.105,449 -0.187,450 -0.086,451 13.867,452 0.478,453 0.609,454 0.021,455 40.5,456 1.397,457 22.5,458 0.776,459 18,460 0.621,461 20.265,462 0.699,463 29.933,464 0.576,465 31.598,466 1.09,467 8.532,468 0.294,469 5.531,470 0.191,471 0.132,473 0.281,479 0.799,480 1.268,481 0.794,482 1.059,483 0.628,484 0.944,485 1.186,486 0.811,487 0.896,488 0.725,489 0.715,490 0.753,491 0.97,492 1.175,493 1.052,494 1.189,495 0.95,496 1.142,497 0.982,498 0.924,499 0.9,500 0.946,501 1.144,502 0.921,503 0.977,504 1.156,505 0.969,506 1.135,507 1.422,508 1.072,509 0.92,510 1.03,511 0.967,512 0.989,513 1.071,514 0.989,515 1.024,516 1.283,517 1.062,518 1.223,519 0.873,520 1.155,521 1.796,522 0.636,523 1.162,524 0.746,525 1.764,526 0.856,527 5.5,528 0.136,529 3.111,530 1.375,531 1.267,532 0.951,533 0.585,534 0.443,535 0.34,536 0.11,537 11433,538 29867,539 2.033,540 44.2,542 20,544 2,545 1,550 1.717,551 1.912,552 3.677,553 -0.405,555 1,559 75.587,560 1.454,561 3.52,562 4.401,563 4.873,564 4.926,565 4.926,566 3.142,567 4.375,568 4.825,569 3.852,570 1563.84,571 8.391,572 22253.8,574 1,576 1,577 296.423,578 1.358,579 4.792,580 0.177,581 0.006,582 0.076,583 0.033,584 0.033,585 0.026,586 0.017,587 0.014,588 0.012,589 0.004,590 0.399,591 0.5,592 1,593 1.33,594 150.407,595 -0.013,596 -0.164,597 0.047,598 -0.069,599 -0.044,600 -0.015,601 -0.09,602 0.279,603 0.044,604 0.229,605 0.015,606 0.172,607 -0.075,608 -0.158,609 -0.151,610 -0.19,611 -0.017,612 -0.181,613 -0.028,614 0.021,615 0.083,616 0.055,618 0.08,619 -0.018,620 -0.191,621 -0.017,622 -0.135,623 -0.058,624 -0.087,625 0.238,626 -0.039,627 0.017,628 -0.014,629 0.094,630 -0.028,631 -0.044,632 -0.266,633 -0.112,634 -0.253,635 -0.021,636 -0.199,637 -0.167,638 0.35,639 -0.098,640 0.197,641 -0.158,642 0.08,643 1.861,644 5.686,645 0.621,646 34.507,647 0.996,648 1.117,649 2.835,650 8.036,651 0.683,652 3.466,653 3.738,654 3.951,655 4.143,656 4.357,657 4.382,658 4.477,659 4.5,660 4.543,661 4.564,662 7.643,663 0.649,664 385.5,665 3.466,666 4.977,667 5.796,668 6.642,669 7.48,670 8.333,671 9.179,672 10.034,673 10.884,674 11.741,675 5.8,678 1,682 1,685 1,688 11,689 1,693 6,695 18,702 1,712 1,714 52,716 20,717 2,718 31,720 54,721 24,722 17,723 5,724 7,725 1,730 3,731 3,744 2,745 18,746 4,750 1,755 1,759 1,761 1,764 23,765 5,766 1,767 5,773 3,777 1,778 2,786 1,793 3,800 2,815 1,819 3,823 3,827 29,833 1,834 1,835 1,838 1,840 1,845 2,847 3.8,850 1,852 1,854 15.167,855 10.4,856 6.583,857 2.835,858 3.707,859 1.51,860 0.969,861 6.89,862 10.982,863 3.784,864 4.337,865 4.9,866 5.455,867 6.003,868 6.21,869 6.578,870 6.838,871 7.122,872 7.401,873 0.889,874 42,875 10.652,877 4.312,878 7.713,879 20.232,881 15.642,883 2.213,884 64.167,886 1,887 1,888 258.964,889 192.671,890 37.921,892 36.145,895 192.671,896 295.109,897 37.921,898 27.676,899 20.116,900 85.286,901 70.177,902 52.962,903 34.061,904 235.422,906 258.964,907 230.591,908 36.145,911 258.964,912 36.145,915 41.336,916 138.409,917 50.847,919 258.964,920 74.065,921 192.671,924 258.964,925 27.553,926 134.181,927 52.072,928 52.93,929 258.964,930 74.065,931 192.671,933 0.567,934 0.32,935 0.166,936 0.091,937 17,938 8,939 0.093,940 5,942 1,943 4.138,944 236.297,946 18,947 130.881,951 20.449,952 9.771,953 5.601,955 74.065,956 20.368,957 4.03,961 4.73,963 18.011,964 525.701,965 43,970 12.686,974 -0.194,975 51.796,976 58.066,977 0.255,978 0.617,979 0.772,980 0.855,981 0.864,982 0.864,983 4.994,984 1.332,985 5.753,986 4.31,987 4.419,988 5.024,989 1.926,990 6.497,991 4.369,992 6.198,993 1.118,994 7.272,995 3.383,996 3.892,997 4.605,998 0.325,999 7.286,1000 3.83,1001 7.489,1002 1,1003 8.89,1004 2.664,1005 5.948,1006 7.169,1007 1.875,1008 10.329,1009 5.866,1010 8.814,1011 1,1012 10.568,1013 2.275,1014 6.236,1015 7.56,1016 0.522,1017 11.942,1018 6.151,1019 10.167,1020 1,1021 12.283,1022 2.172,1023 7.742,1024 9.571,1025 1.875,1026 14.477,1027 7.642,1028 11.54,1029 0.566,1030 14.025,1031 2.136,1032 8.417,1033 10.377,1034 0.665,1035 16.425,1036 8.317,1037 12.929,1038 -0.041,1039 15.785,1040 0.988,1041 9.681,1042 12.11,1043 1.901,1044 18.771,1045 9.569,1046 2.977,1047 -0.09,1048 17.558,1049 -0.095,1050 10.55,1051 13.152,1052 0.785,1053 20.865,1054 10.438,1055 2.867,1056 9.407,1057 19.34,1058 -0.187,1059 11.704,1060 14.73,1061 1.945,1062 23.135,1063 11.582,1064 2.629,1065 9.056,1066 21.13,1067 4.033,1068 12.672,1069 15.91,1070 0.891,1071 25.295,1072 12.547,1073 2.307,1074 8.268,1075 22.925,1076 3.889,1077 13.776,1078 17.4,1079 2.004,1080 27.534,1081 13.643,1082 2.219,1083 6.784,1084 24.724,1085 3.393,1086 14.794,1087 18.663,1088 0.988,1089 29.725,1090 14.656,1091 1.81,1092 5.191,1093 26.527,1094 3.187,1095 15.877,1096 20.104,1097 2.073,1098 31.952,1099 15.731,1100 1.656,1101 4.549,1102 28.333,1103 2.628,1104 16.921,1105 21.416,1106 1.081,1107 34.158,1108 16.769,1109 11195,1110 18230,1111 20.572,1112 35.54,1113 46.467,1114 47.207,1115 46.508,1116 44.953,1117 44.962,1118 60.917,1119 6.441,1120 122.366,1121 43.707,1122 5.217,1123 5.582,1124 6.051,1125 5.001,1126 4.977,1127 7.033,1128 2.117,1129 15.817,1130 4.944,1131 14.537,1132 1.499,1133 1.523,1134 1.5,1135 1.45,1136 1.45,1137 1.965,1138 0.208,1139 3.947,1140 1.41,1141 4.018,1142 4.044,1143 3.972,1144 3.95,1145 7.429,1146 3.951,1147 3.93,1148 3.949,1149 3.887,1150 3.874,1151 4.947,1152 3.874,1153 3.729,1154 3.775,1155 3.664,1156 3.618,1157 4.911,1158 3.623,1159 3.641,1160 3.718,1161 3.523,1162 3.462,1163 4.69,1164 3.468,1165 3.375,1166 3.404,1167 3.311,1168 3.162,1169 4.599,1170 3.187,1171 3.228,1172 3.289,1173 3.085,1174 3.042,1175 4.321,1176 3.048,1177 3.121,1178 3.189,1179 2.964,1180 2.882,1181 4.18,1182 2.889,1183 2.874,1184 3.009,1185 2.76,1186 2.735,1187 3.94,1188 2.715,1189 0.142,1190 0.116,1191 0.202,1192 0.128,1193 0.096,1194 4.388,1195 0.13,1196 3.582,1197 0.034,1198 6.249,1199 0.303,1200 3.966,1201 0.095,1202 2.977,1203 4.033,1204 1.058,1205 9.407,1206 2.944,1207 1.975,1208 1.952,1209 2.065,1210 2.062,1211 1.166,1212 2.064,1213 1.916,1214 1.901,1215 1.995,1216 1.998,1217 1.096,1218 1.998,1219 1.702,1220 1.663,1221 1.846,1222 1.853,1223 0.959,1224 1.855,1225 1.6,1226 1.531,1227 1.825,1228 1.825,1229 0.853,1230 1.829,1231 1.285,1232 1.246,1233 1.574,1234 1.553,1235 0.577,1236 1.55,1237 1.209,1238 1.146,1239 1.473,1240 1.421,1241 0.528,1242 1.434,1243 1.074,1244 1.005,1245 1.417,1246 1.321,1247 0.469,1248 1.327,1249 0.934,1250 0.821,1251 1.269,1252 1.239,1253 0.28,1254 1.308,1255 4.143,1257 5.425,1259 6.901,1261 8.462,1263 10.068,1265 5.502,1271 0.628,1272 2.927,1273 5.359,1276 1.978,1279 6.152,1280 33.762,1281 75.587,1282 183.031,1283 228.874,1284 253.403,1285 256.158,1286 256.158,1287 48.442,1288 7.274,1289 54.46,1290 54.46,1291 18,1292 12.295,1293 4.392,1294 3.7,1295 52.677,1296 132,1297 127,1298 0.191,1299 212.053,1300 372.88,1301 509.169,1302 14579,1304 20.64,1305 0.712,1306 0.578,1307 20.64,1308 16.769,1309 14.063,1310 0.454,1311 0.297,1312 9.07,1313 13.58,1314 8.709,1315 7.368,1316 14.063,1317 9.201,1318 12.218,1319 0.298,1320 0.164,1321 12.218,1322 6.722,1323 9.779,1324 0.192,1325 0.083,1326 9.779,1327 4.236,1328 7.778,1329 0.125,1330 0.044,1331 7.778,1332 2.733,1333 6.172,1334 0.08,1335 0.023,1336 6.172,1337 1.772,1338 0.308,1339 87.76,1340 0.22,1341 28.137,1342 0.502,1343 144,1344 421.094,1345 153.95,1346 414.135,1347 562.54,1348 388,1349 164,1350 402.956,1351 174.146,1352 419.728,1353 599.36,1354 389,1355 5.921} {0 CHEMBL1185,1 1.512,2 9.238,3 2.457,4 6.038,5 82.438,6 6.843,7 0.435,8 3.833,9 3.965,10 3.331,11 3.312,12 4.846,13 3.29,14 4.406,15 4.603,16 3.679,17 3.73,18 5.413,19 3.677,20 4.595,21 4.812,22 3.562,23 3.865,24 5.458,25 3.74,26 4.722,27 5.004,28 3.455,29 3.828,30 5.497,31 3.667,32 4.542,33 4.808,34 3.441,35 3.699,36 5.37,37 3.57,38 4.448,39 4.678,40 3.426,41 3.647,42 5.354,43 3.535,44 4.471,45 4.735,46 3.289,47 3.541,48 5.354,49 3.412,50 4.323,51 4.605,52 3.087,53 3.332,54 5.177,55 3.199,56 0.025,57 0.622,58 9.737,59 3.714,60 6.434,61 5.312,62 0.38,63 0.987,64 18.653,65 6.135,66 30.125,67 9.089,68 0.164,69 1.135,70 22.175,71 8.355,72 22.193,73 12.086,74 0.254,75 1.149,76 26.299,77 9.141,78 34.606,79 13.695,80 0.202,81 1.007,82 21.69,83 7.529,84 26.028,85 11.265,86 0.136,87 0.95,88 19.389,89 6.725,90 21.921,91 9.992,92 0.229,93 0.906,94 20.523,95 6.375,96 28.208,97 9.734,98 0.239,99 0.744,100 17.932,101 5.246,102 22.956,103 8.214,104 13,105 32,106 0.268,107 0.621,108 0.811,109 0.848,110 0.848,111 0.848,112 3.103,113 0.95,114 -2.32,115 -2.36,116 -2.32,119 38.1,121 2,124 2,125 2,127 1,140 3,141 3,149 1,150 1,157 1,169 7,171 1,172 1,174 2,176 4,178 8,182 2,186 4,189 7,193 3,197 3,199 4,203 4,206 1,208 3,211 2,215 6,220 1,226 5,230 1,231 1,237 2,240 1,249 1,252 2,259 561,260 14.033,261 14.033,262 14.033,263 14.033,264 14.033,265 12.748,266 15.616,267 8.305,268 14.371,269 11.381,270 11.381,271 11.381,272 11.381,273 11.381,274 9.333,275 15.11,276 4.011,277 11.883,278 3.881,279 1.889,280 0.816,281 0.607,282 0.607,283 0.607,284 3.781,287 1,288 1,289 1,290 413,291 3,294 102.798,295 52.264,298 82.974,302 1.51,303 15.13,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45.5,315 194,316 4.552,317 3.681,318 6.548,319 4.084,320 3.097,321 4.504,322 2.186,323 10.366,324 3.058,325 3.886,326 3.18,327 5.655,328 3.683,329 2.731,330 3.172,331 0.8,332 7.905,333 2.599,334 3.662,335 2.755,336 5.238,337 3.312,338 2.339,339 2.925,340 0.366,341 6.619,342 2.265,343 3.381,344 2.566,345 5.1,346 3.136,347 2.203,348 2.681,350 5.99,351 2.054,352 3.146,353 2.252,354 4.625,355 2.867,356 1.9,357 2.182,359 5.024,360 1.825,361 2.971,362 2.034,363 4.552,364 2.677,365 1.693,366 2.003,368 4.736,369 1.649,370 2.705,371 1.491,372 4.123,373 2.237,374 1.257,375 1.785,377 3.426,378 1.23,379 2.216,380 1.307,381 3.299,382 1.802,383 0.845,384 1.114,386 1.934,387 0.806,388 1.778,389 0.939,390 3.269,391 1.594,392 0.727,393 0.746,395 1.725,396 0.624,397 1.594,398 0.592,399 2.925,400 1.375,401 0.404,402 0.472,404 0.939,405 0.392,406 1.14,407 0.475,408 2.823,409 0.891,410 -0.086,411 -0.1,413 -0.238,414 -0.084,415 0.777,416 0.102,417 2.271,418 0.366,419 -0.644,420 -0.785,422 -1.594,423 -0.631,424 0.626,425 -0.436,426 2,427 0.181,428 -0.82,429 -1,431 -2,432 -0.819,433 0.439,434 -0.6,435 1.947,436 0.118,437 -0.889,438 -1.07,440 -2.202,441 -0.9,442 0.121,443 -0.715,444 1.706,445 -0.1,446 -1,447 -1.229,449 -2.644,450 -0.9,451 9.867,452 0.47,453 0.558,454 0.027,455 23.5,456 1.119,457 9.5,458 0.452,459 14,460 0.667,461 17.074,462 0.813,463 23.733,464 0.565,465 15.774,466 0.751,467 4.787,468 0.228,469 5.327,470 0.254,471 0.135,473 0.345,479 0.85,480 1.491,481 0.864,482 1.217,483 0.608,484 1.059,485 0.842,486 0.913,487 0.924,488 0.832,489 0.477,490 0.868,491 0.802,492 1.193,493 1.146,494 1.258,495 0.783,496 1.254,497 0.716,498 0.939,499 0.889,500 0.951,501 0.809,502 0.952,503 0.662,504 0.969,505 0.861,506 0.977,507 0.706,508 0.952,509 0.854,510 1.274,511 1.046,512 1.235,513 0.599,514 1.178,515 0.98,516 1.069,517 1.041,518 1.073,519 0.976,520 1.062,521 0.943,522 0.938,523 0.983,524 0.969,525 0.871,526 0.965,527 5,528 0.05,529 2,530 1.424,531 0.733,532 0.559,533 0.496,534 0.24,535 0.167,536 0.109,537 4431,538 10988,539 2.074,540 50,542 14,543 1,545 2,547 4,550 1.631,551 1.938,552 3.203,553 0.331,554 1,555 1,557 1,559 63.484,560 1.512,561 3.503,562 4.576,563 4.785,564 4.785,565 4.785,566 2.725,567 4.297,568 4.36,569 3.344,570 702.343,571 7.467,572 7504.12,573 1,574 1,576 1,577 226.477,578 1.418,579 4.322,580 0.217,581 0.007,582 0.063,583 0.053,584 0.031,585 0.023,586 0.022,587 0.013,588 0.011,589 0.012,590 0.451,591 0.67,592 1,593 1.238,594 95.319,595 -0.042,596 -0.208,597 0.06,598 -0.077,599 -0.031,600 -0.003,601 0.174,602 0.245,603 0.049,604 0.193,605 0.189,606 0.12,607 -0.102,608 -0.12,609 -0.226,610 -0.189,611 -0.103,612 -0.221,613 -0.014,614 -0.021,615 0.053,616 0.045,617 -0.046,618 0.055,619 0.035,620 0.008,621 0.081,622 0.024,624 0.054,625 -0.052,626 -0.234,627 -0.103,628 -0.209,629 0.031,630 -0.17,631 -0.047,632 -0.091,633 -0.066,634 -0.123,635 -0.029,636 -0.1,637 0.021,638 0.008,639 0.006,640 -0.054,641 0.013,642 -0.022,643 1.977,644 4.075,645 0.667,646 17.673,647 0.998,648 1.135,649 1.09,650 1.189,651 0.638,652 3.178,653 3.497,654 3.714,655 3.989,656 4.127,657 4.205,658 4.357,659 4.477,660 4.443,661 4.511,662 5.529,663 0.601,664 287.4,665 3.178,666 4.71,667 5.541,668 6.415,669 7.27,670 8.149,671 9.016,672 9.898,673 10.771,674 11.654,675 7.1,678 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 42,716 11,717 1,718 23,720 44,721 16,722 8,723 3,724 3,730 3,731 4,740 1,743 3,745 9,746 7,750 1,755 1,759 1,760 1,761 1,764 21,765 4,766 2,767 5,773 3,777 0.667,778 2,788 1,792 2,793 1,796 1,815 1,816 1,819 2,823 2,827 21,833 4,834 1,835 1,837 1,838 1,847 4.8,850 1,852 1,854 10.833,855 7.95,856 4.556,857 2.444,858 2.18,859 1.32,860 0.975,861 4.173,862 8.996,863 3.401,864 3.975,865 4.518,866 5.125,867 5.599,868 5.933,869 6.336,870 6.709,871 6.649,872 6.846,873 1,874 27,875 7.765,877 3.246,878 7.651,879 15.132,881 12.48,883 2.151,884 45.167,885 0.001,888 223.651,889 83.887,890 37.921,892 36.145,895 83.887,896 259.796,897 37.921,898 16.793,899 29.778,900 37.476,901 25.145,902 39.854,903 20.678,904 211.88,906 223.651,907 121.807,908 36.145,911 176.567,912 83.229,915 49.688,916 72.12,919 223.651,920 74.065,921 83.887,924 223.651,925 29.618,926 57.393,927 34.796,928 36.145,929 223.651,930 74.065,931 83.887,933 0.582,934 0.314,935 0.169,936 0.091,937 16,938 7,939 0.114,940 5,941 1,942 1.143,943 3.405,944 157.663,945 0.143,946 14,947 90.239,951 14.419,952 6.078,953 3.39,954 2.443,955 57.28,956 8.542,958 3.327,961 2.566,963 34.796,964 381.603,965 29,970 11.075,974 -0.311,975 41.912,976 47.651,977 0.28,978 0.65,979 0.849,980 0.887,981 0.887,982 0.887,983 4.64,984 0.845,985 5.525,986 3.426,987 4.174,988 4.659,989 2.351,990 6.301,991 4.099,992 5.828,993 0.727,994 7.059,995 1.934,996 3.761,997 4.527,998 1.847,999 7.111,1000 3.673,1001 7.125,1002 0.404,1003 8.685,1004 1.725,1005 5.733,1006 6.848,1007 3.504,1008 10.181,1009 5.603,1010 8.457,1011 -0.086,1012 10.367,1013 0.939,1014 6.111,1015 7.588,1016 3.598,1017 11.851,1018 5.969,1019 9.823,1020 -0.644,1021 12.086,1022 -0.238,1023 7.566,1024 9.42,1025 4.907,1026 14.436,1027 7.398,1028 11.215,1029 -0.82,1030 13.832,1031 -1.594,1032 8.319,1033 10.578,1034 5.29,1035 16.488,1036 8.143,1037 12.628,1038 -0.889,1039 15.601,1040 -2,1041 9.564,1042 12.216,1043 6.387,1044 18.905,1045 9.371,1046 3.097,1047 -1,1048 17.388,1049 -2.202,1050 10.504,1051 13.569,1052 6.93,1053 21.123,1054 10.304,1055 2.731,1056 10.366,1057 19.19,1058 -2.644,1059 11.663,1060 15.128,1061 7.902,1062 23.484,1063 11.451,1064 2.339,1065 7.905,1066 21.004,1067 4.504,1068 12.694,1069 16.568,1070 8.539,1071 25.77,1072 12.476,1073 2.203,1074 6.619,1075 22.829,1076 3.172,1077 13.821,1078 18.095,1079 9.436,1080 28.113,1081 13.594,1082 1.9,1083 5.99,1084 24.663,1085 2.925,1086 14.896,1087 19.572,1088 10.13,1089 30.429,1090 14.662,1091 1.693,1092 5.024,1093 26.505,1094 2.681,1095 16.014,1096 21.085,1097 10.981,1098 32.766,1099 15.771,1100 1.257,1101 4.736,1102 28.352,1103 2.182,1104 17.111,1105 22.578,1106 11.71,1107 35.094,1108 16.861,1109 4359,1110 6984,1111 15.315,1112 26.779,1113 34.564,1114 35.391,1115 35.097,1116 34.317,1117 34.391,1118 43.17,1119 6.705,1120 97.328,1121 33.004,1122 5.477,1123 5.681,1124 5.932,1125 5.132,1126 5.097,1127 7.504,1128 3.889,1129 17.03,1130 5.058,1131 10.182,1132 1.503,1133 1.539,1134 1.526,1135 1.492,1136 1.495,1137 1.877,1138 0.292,1139 4.232,1140 1.435,1141 4.14,1142 4.174,1143 4.096,1144 4.061,1145 7.435,1146 4.066,1147 3.798,1148 3.84,1149 3.719,1150 3.603,1151 4.96,1152 3.617,1153 3.653,1154 3.737,1155 3.513,1156 3.445,1157 4.547,1158 3.453,1159 3.432,1160 3.483,1161 3.335,1162 3.241,1163 4.331,1164 3.256,1165 3.162,1166 3.246,1167 2.996,1168 2.964,1169 4.252,1170 2.964,1171 2.973,1172 3.026,1173 2.828,1174 2.759,1175 3.824,1176 2.751,1177 2.874,1178 3.009,1179 2.673,1180 2.652,1181 3.679,1182 2.672,1183 2.847,1184 2.909,1185 2.499,1186 2.618,1187 3.506,1188 2.57,1189 0.198,1190 0.16,1191 0.285,1192 0.178,1193 0.135,1194 4.552,1195 0.196,1196 3.681,1197 0.095,1198 6.548,1199 0.451,1200 4.084,1201 0.133,1202 3.097,1203 4.504,1204 2.186,1205 10.366,1206 3.058,1207 1.971,1208 1.949,1209 2.069,1210 2.047,1211 1.317,1212 2.056,1213 1.693,1214 1.631,1215 1.913,1216 1.903,1217 1.184,1218 1.912,1219 1.547,1220 1.487,1221 1.751,1222 1.755,1223 1,1224 1.756,1225 1.447,1226 1.365,1227 1.692,1228 1.677,1229 0.784,1230 1.687,1231 1.161,1232 1.156,1233 1.426,1234 1.563,1235 0.548,1236 1.477,1237 1.121,1238 1.04,1239 1.417,1240 1.373,1241 0.476,1242 1.399,1243 0.934,1244 0.845,1245 1.319,1246 1.239,1247 0.469,1248 1.308,1249 0.917,1250 0.804,1251 1.18,1252 1.119,1253 0.198,1254 1.156,1255 3.85,1257 5.165,1258 3.045,1259 6.642,1260 5.352,1261 8.202,1262 7.38,1263 9.812,1265 4.173,1271 3.32,1272 2.823,1273 4.937,1275 0.083,1276 2.189,1280 25.235,1281 63.484,1282 147.119,1283 192.213,1284 200.968,1285 200.968,1286 200.968,1287 28.478,1288 6.817,1289 57.36,1290 57.36,1291 16,1292 12.19,1293 3.585,1294 2.807,1295 32.224,1296 69,1297 65,1298 0.233,1299 155.806,1300 263.86,1301 371.927,1302 7510,1304 14.82,1305 0.706,1306 0.594,1307 14.82,1308 12.479,1309 10.114,1310 0.44,1311 0.317,1312 7.161,1313 9.667,1314 6.927,1315 5.773,1316 10.114,1317 7.285,1318 9.432,1319 0.295,1320 0.184,1321 9.432,1322 5.891,1323 7.255,1324 0.181,1325 0.097,1326 7.255,1327 3.88,1328 6.067,1329 0.114,1330 0.051,1331 6.067,1332 2.724,1333 4.633,1334 0.076,1335 0.03,1336 4.633,1337 1.808,1338 0.363,1339 63.815,1340 0.256,1341 20.904,1342 0.645,1343 110,1344 303.782,1345 121.279,1346 290.197,1347 393.24,1348 272,1349 127,1350 283.443,1351 137.701,1352 289.683,1353 420.29,1354 269,1355 8.611} {0 CHEMBL119264,1 1.447,2 13.036,3 3.566,4 12.717,5 111.885,6 7.085,7 0.6,8 4.039,9 4.163,10 3.555,11 3.596,12 5.16,13 3.561,14 4.538,15 4.723,16 3.858,17 3.964,18 5.593,19 3.903,20 4.78,21 4.979,22 3.908,23 4.114,24 5.826,25 4.018,26 4.91,27 5.161,28 3.806,29 4.083,30 5.895,31 3.957,32 4.818,33 5.063,34 3.771,35 4.003,36 5.817,37 3.886,38 4.744,39 4.988,40 3.728,41 3.902,42 5.862,43 3.796,44 4.598,45 4.823,46 3.623,47 3.816,48 5.648,49 3.721,50 4.6,51 4.83,52 3.541,53 3.771,54 5.688,55 3.661,56 0.045,57 0.741,58 11.233,59 4.843,60 9.906,61 6.506,62 0.19,63 1.172,64 19.869,65 7.643,66 19.317,67 10.694,68 0.16,69 1.407,70 25.811,71 10.405,72 32.182,73 14.299,74 0.287,75 1.485,76 31.411,77 11.693,78 52.197,79 16.343,80 0.222,81 1.356,82 28.411,83 10.818,84 45.707,85 15.084,86 0.473,87 1.267,88 26.877,89 9.314,90 72.365,91 13.179,92 0.22,93 1.139,94 22.485,95 7.904,96 36.345,97 11.047,98 0.366,99 1.085,100 23.126,101 8.314,102 50.073,103 11.244,104 21,105 40,106 0.24,107 0.58,108 0.742,109 0.819,110 0.827,111 0.827,112 3.374,113 0.931,114 -3.93,115 -3.88,116 -3.68,119 43.4,121 2,124 2,125 1,140 9,141 4,142 2,143 2,156 1,169 13,172 4,174 1,176 5,178 15,182 4,186 7,189 13,193 6,197 5,199 9,203 6,208 2,211 7,215 6,218 2,219 1,220 3,222 9,226 2,233 9,236 1,237 2,240 2,242 2,244 10,254 2,256 9,259 1340,260 18.775,261 18.775,262 18.775,263 18.775,264 18.775,265 16.495,266 16.765,267 11.324,268 19.03,269 14.809,270 14.809,271 14.809,272 14.809,273 14.809,274 11.426,275 19.973,276 5.41,277 15.19,278 4.281,279 2.233,280 1.26,281 0.797,282 0.745,283 0.745,284 4.057,288 1,289 1,290 769,291 3.606,295 314.068,302 2.112,303 22.486,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 59.5,315 365,316 4.324,317 3.578,318 6.2,319 3.954,320 2.961,321 3.965,322 1.058,323 9.21,324 2.938,325 4.239,326 3.032,327 6.141,328 3.86,329 2.864,330 3.885,331 0.8,332 9.048,333 2.854,334 3.928,335 2.869,336 5.863,337 3.589,338 2.606,339 3.362,341 8.048,342 2.553,343 3.699,344 2.571,345 5.298,346 3.287,347 2.3,348 3.134,350 6.758,351 2.267,352 3.258,353 2.458,354 4.66,355 3.132,356 2.213,357 2.574,359 5.18,360 2.033,361 3.226,362 1.904,363 4.459,364 2.774,365 1.809,366 2.238,368 4.539,369 1.744,370 2.899,371 1.871,372 4.247,373 2.56,374 1.584,375 2.025,377 3.994,378 1.541,379 2.787,380 1.82,381 4.047,382 2.296,383 1.304,384 1.837,386 3.353,387 1.282,388 2.612,389 1.191,390 3.497,391 2.081,392 1.108,393 1.635,395 2.661,396 1.072,397 2.5,398 1.051,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1,408 3.282,409 1.987,410 1,411 1.5,413 2.17,414 0.985,415 2.136,416 1,417 3.247,418 1.984,419 1,420 1.107,422 2.136,423 0.983,424 1.367,425 0.563,426 2.82,427 1.114,428 0.161,429 0.185,431 0.371,432 0.152,433 1.311,434 0.441,435 2.525,436 0.939,437 -0.053,438 -0.067,440 -0.128,441 -0.052,442 0.869,443 -0.074,444 2.376,445 0.595,446 -0.373,447 -0.434,449 -0.859,450 -0.357,451 13.367,452 0.477,453 0.647,454 0.023,455 37.75,456 1.348,457 20.5,458 0.732,459 17.25,460 0.616,461 20.75,462 0.741,463 29.833,464 0.563,465 28.547,466 1.02,467 7.652,468 0.273,469 5.873,470 0.21,471 0.125,473 0.292,479 0.844,480 1.266,481 0.858,482 1.054,483 0.74,484 0.971,485 0.825,486 0.964,487 0.913,488 0.904,489 0.562,490 0.901,491 0.921,492 1.155,493 1.054,494 1.175,495 0.87,496 1.136,497 1.084,498 0.939,499 0.972,500 0.969,501 1.129,502 0.962,503 0.995,504 1.031,505 0.899,506 1.01,507 1.166,508 0.961,509 1.05,510 0.924,511 0.939,512 0.878,513 1.202,514 0.896,515 1.311,516 1.064,517 1.095,518 1.03,519 1.273,520 1.029,521 1.433,522 0.822,523 1.123,524 0.955,525 1.572,526 1.005,527 5.5,528 0.128,529 3.111,530 1.375,531 1.227,532 0.889,533 0.544,534 0.38,535 0.34,536 0.11,537 10560,538 26108,539 2.034,540 47.2,541 2,542 17,544 2,545 2,547 2,550 1.706,551 1.909,552 3.667,553 0.176,555 1,559 76.687,560 1.447,561 3.495,562 4.468,563 4.93,564 4.982,565 4.982,566 3.146,567 4.209,568 4.774,569 3.84,570 1451.47,571 8.283,572 20160,574 1,576 1,577 303.58,578 1.379,579 4.74,580 0.183,581 0.006,582 0.078,583 0.034,584 0.035,585 0.026,586 0.017,587 0.013,588 0.013,589 0.005,590 0.411,591 0.33,592 1,593 1.26,594 143.801,595 -0.055,596 -0.107,597 0.028,598 -0.003,599 -0.072,600 0.016,601 -0.006,602 0.159,603 0.016,604 0.094,605 0.064,606 0.07,607 -0.06,608 -0.127,609 -0.117,610 -0.158,611 -0.005,612 -0.144,613 -0.063,614 0.002,615 0.018,616 0.019,617 -0.04,618 0.028,619 -0.003,620 -0.098,621 0.086,622 -0.012,623 -0.025,624 0.037,625 0.189,626 0.044,627 0.076,628 0.083,629 0.115,630 0.066,631 -0.144,632 -0.043,633 -0.103,634 -0.068,635 -0.117,636 -0.075,637 -0.035,638 0.143,639 -0.105,640 0.014,641 -0.11,642 -0.048,643 1.856,644 5.605,645 0.643,646 32.694,647 0.994,648 1.122,649 2.696,650 7.269,651 0.666,652 3.434,653 3.714,654 3.912,655 4.094,656 4.317,657 4.317,658 4.394,659 4.443,660 4.489,661 4.511,662 7.56,663 0.628,664 375.51,665 3.434,666 4.949,667 5.765,668 6.611,669 7.446,670 8.296,671 9.139,672 9.992,673 10.839,674 11.693,675 5.7,678 1,682 1,685 1,688 11,689 1,693 6,695 18,702 1,711 1,714 53,716 19,717 2,718 30,720 55,721 23,722 17,723 5,724 7,725 1,730 3,731 3,743 2,745 18,746 5,750 1,755 1,759 1,761 1,764 25,765 5,766 2,767 5,773 3,777 1,778 2,786 1,793 3,815 1,819 3,823 2,827 28,832 1,833 3,834 1,838 1,847 3.8,849 1,850 1,854 14.667,855 9.933,856 6.25,857 3.051,858 3.19,859 1.443,860 0.954,861 6.669,862 10.394,863 3.714,864 4.27,865 4.798,866 5.318,867 5.868,868 5.993,869 6.325,870 6.601,871 6.902,872 7.203,873 0.889,874 40,875 10.341,877 4.269,878 7.738,879 19.767,881 15.726,883 2.238,884 62.667,886 1,887 1,888 270.735,889 147.552,890 37.921,892 67.828,895 147.552,896 338.564,897 37.921,898 16.793,899 25.186,900 85.286,901 112.861,902 36.718,904 247.193,906 270.735,907 185.473,908 67.828,911 247.193,912 91.37,915 46.405,916 122.283,917 16.786,919 270.735,920 105.749,921 147.552,924 270.735,925 27.378,926 123.298,927 18.011,928 84.614,929 270.735,930 105.749,931 147.552,933 0.573,934 0.317,935 0.16,936 0.09,937 17,938 8,939 0.127,940 7,942 1,943 4.071,944 224.618,946 18,947 124.606,951 19.905,952 9.382,953 5.576,955 105.749,956 20.103,957 4.025,961 4.433,963 60.694,964 524.036,965 40,970 12.605,974 -0.189,975 52.68,976 59.481,977 0.253,978 0.61,979 0.78,980 0.861,981 0.87,982 0.87,983 4.916,984 1.304,985 5.727,986 3.994,987 4.394,988 4.956,989 1.435,990 6.466,991 4.352,992 6.102,993 1.108,994 7.245,995 3.353,996 3.892,997 4.605,998 0.325,999 7.235,1000 3.83,1001 7.381,1002 1,1003 8.861,1004 2.661,1005 5.922,1006 7.081,1007 1.379,1008 10.277,1009 5.852,1010 8.694,1011 1,1012 10.536,1013 2.275,1014 6.217,1015 7.524,1016 0.268,1017 11.862,1018 6.14,1019 10.038,1020 1,1021 12.248,1022 2.17,1023 7.712,1024 9.476,1025 1.406,1026 14.398,1027 7.628,1028 11.403,1029 0.161,1030 13.985,1031 2.136,1032 8.385,1033 10.311,1034 0.188,1035 16.32,1036 8.302,1037 12.785,1038 -0.053,1039 15.74,1040 0.371,1041 9.645,1042 12.009,1043 1.462,1044 18.662,1045 9.553,1046 2.961,1047 -0.373,1048 17.508,1049 -0.128,1050 10.51,1051 13.06,1052 0.125,1053 20.735,1054 10.42,1055 2.864,1056 9.21,1057 19.286,1058 -0.859,1059 11.66,1060 14.617,1061 1.533,1062 22.996,1063 11.563,1064 2.606,1065 9.048,1066 21.07,1067 3.965,1068 12.623,1069 15.795,1070 0.082,1071 25.138,1072 12.526,1073 2.3,1074 8.048,1075 22.86,1076 3.885,1077 13.724,1078 17.271,1079 1.613,1080 27.366,1081 13.621,1082 2.213,1083 6.758,1084 24.654,1085 3.362,1086 14.737,1087 18.524,1088 0.054,1089 29.541,1090 14.632,1091 1.809,1092 5.18,1093 26.452,1094 3.134,1095 15.817,1096 19.954,1097 1.698,1098 31.756,1099 15.706,1100 1.584,1101 4.539,1102 28.252,1103 2.574,1104 16.856,1105 21.253,1106 0.035,1107 33.947,1108 16.742,1109 10315,1110 16365,1111 19.879,1112 35.302,1113 44.282,1114 45.153,1115 45.015,1116 43.843,1117 43.82,1118 57.894,1119 3.717,1120 119.484,1121 42.806,1122 5.2,1123 5.578,1124 6.002,1125 4.989,1126 4.961,1127 6.965,1128 2.117,1129 15.577,1130 4.938,1131 14.149,1132 1.476,1133 1.505,1134 1.5,1135 1.461,1136 1.461,1137 1.93,1138 0.124,1139 3.983,1140 1.427,1141 4.02,1142 4.048,1143 3.969,1144 3.95,1145 7.429,1146 3.95,1147 3.934,1148 3.959,1149 3.881,1150 3.872,1151 6.469,1152 3.871,1153 3.732,1154 3.785,1155 3.663,1156 3.618,1157 4.932,1158 3.623,1159 3.67,1160 3.742,1161 3.529,1162 3.486,1163 4.696,1164 3.484,1165 3.381,1166 3.443,1167 3.297,1168 3.178,1169 4.562,1170 3.19,1171 3.246,1172 3.297,1173 3.083,1174 3.029,1175 4.323,1176 3.044,1177 2.901,1178 3.009,1179 2.829,1180 2.753,1181 3.951,1182 2.764,1183 2.874,1184 2.947,1185 2.687,1186 2.735,1187 3.873,1188 2.715,1189 0.144,1190 0.119,1191 0.207,1192 0.132,1193 0.099,1194 4.324,1195 0.132,1196 3.578,1197 0.035,1198 6.2,1199 0.307,1200 3.954,1201 0.098,1202 2.961,1203 3.965,1204 1.058,1205 9.21,1206 2.938,1207 1.976,1208 1.952,1209 2.07,1210 2.066,1211 1.305,1212 2.068,1213 1.926,1214 1.905,1215 2.039,1216 2.017,1217 1.163,1218 2.025,1219 1.705,1220 1.664,1221 1.884,1222 1.88,1223 1.043,1224 1.886,1225 1.643,1226 1.571,1227 1.826,1228 1.829,1229 0.855,1230 1.832,1231 1.352,1232 1.276,1233 1.66,1234 1.579,1235 0.79,1236 1.608,1237 1.16,1238 1.122,1239 1.417,1240 1.427,1241 0.469,1242 1.392,1243 0.934,1244 0.821,1245 1.302,1246 1.239,1247 0.46,1248 1.308,1249 0.897,1250 0.821,1251 1.24,1252 1.108,1253 0.273,1254 1.16,1255 4.111,1257 5.398,1259 6.874,1261 8.433,1263 10.035,1265 4.035,1270 10.061,1271 2.577,1272 2.917,1276 2.1,1280 33.289,1281 76.687,1282 185.222,1283 236.786,1284 261.315,1285 264.07,1286 264.07,1287 53.296,1288 7.205,1289 65.46,1290 65.46,1291 18,1292 12.25,1293 4.322,1294 3.459,1295 49.96,1296 126,1297 120,1298 0.19,1299 208.316,1300 360.86,1301 500.05,1302 13502,1304 19.933,1305 0.712,1306 0.579,1307 19.933,1308 16.222,1309 13.525,1310 0.451,1311 0.31,1312 9.208,1313 13.128,1314 8.902,1315 7.482,1316 13.525,1317 9.312,1318 12.027,1319 0.301,1320 0.175,1321 12.027,1322 7.018,1323 9.477,1324 0.193,1325 0.093,1326 9.477,1327 4.55,1328 7.378,1329 0.125,1330 0.051,1331 7.378,1332 3.006,1333 5.989,1334 0.081,1335 0.027,1336 5.989,1337 1.975,1338 0.307,1339 83.994,1340 0.224,1341 27.384,1342 0.497,1343 140,1344 381.508,1345 149.175,1346 378.068,1347 511.04,1348 352,1349 159,1350 367.441,1351 168.149,1352 380.742,1353 544.39,1354 355,1355 6.155} {0 CHEMBL119668,1 1.534,2 15.697,3 4.394,4 19.306,5 128.738,6 7.387,7 0.568,8 4.217,9 4.353,10 3.786,11 3.73,12 5.284,13 3.714,14 4.786,15 4.984,16 4.131,17 4.149,18 5.792,19 4.109,20 5.054,21 5.289,22 4.131,23 4.301,24 6.106,25 4.202,26 5.136,27 5.398,28 3.978,29 4.304,30 5.961,31 4.155,32 5.147,33 5.452,34 3.89,35 4.204,36 5.887,37 4.048,38 4.977,39 5.251,40 3.898,41 4.117,42 5.823,43 3.999,44 4.933,45 5.189,46 3.899,47 4.106,48 5.813,49 3.985,50 4.966,51 5.249,52 3.767,53 4.025,54 5.832,55 3.893,56 0.052,57 1.096,58 12.732,59 5.419,60 8.417,61 7.31,62 0.273,63 1.762,64 25.085,65 8.91,66 20.306,67 12.455,68 0.566,69 2.196,70 35.302,71 12.813,72 79.306,73 17.767,74 0.333,75 2.036,76 39.108,77 14.605,78 49.918,79 20.903,80 0.491,81 1.878,82 42.124,83 13.826,84 56.945,85 20.778,86 0.507,87 1.745,88 34.377,89 11.207,90 48.945,91 16.453,92 0.387,93 1.725,94 31.74,95 11.184,96 41.223,97 16.2,98 0.466,99 1.726,100 34.644,101 11.039,102 55.306,103 15.907,104 5,105 51,106 0.246,107 0.56,108 0.718,109 0.819,110 0.835,111 0.856,112 3.531,113 0.932,114 -5.88,115 -5.74,116 -5.34,119 41,121 3,125 6,140 6,141 3,142 3,149 1,150 1,158 2,164 1,169 9,171 2,172 4,176 3,178 9,181 1,182 4,186 3,189 7,193 8,197 1,199 3,203 9,206 1,211 2,215 6,218 1,222 1,226 6,229 2,233 1,236 1,237 5,244 2,249 1,252 1,256 4,259 2019,260 22.739,261 22.739,262 22.739,263 22.739,264 22.739,265 20.223,266 26.079,267 13.454,268 23.304,269 18.27,270 18.27,271 18.27,272 18.27,273 18.27,274 14.544,275 27.126,276 6.417,277 19.233,278 4.397,279 2.436,280 1.451,281 0.82,282 0.721,283 0.59,284 4.242,288 1,289 1,290 1153,291 3.162,294 180.106,295 342.534,298 153.938,302 2.531,303 29.108,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 72,315 518,316 4.568,317 3.299,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.215,326 3.197,327 6.095,328 3.786,329 2.834,330 3.869,331 0.8,332 8.884,333 2.696,334 4.129,335 2.989,336 5.951,337 3.69,338 2.753,339 3.731,341 8.327,342 2.578,343 3.673,344 2.882,345 5.5,346 3.576,347 2.655,348 2.839,350 7.404,351 2.443,352 3.508,353 2.658,354 5.237,355 3.233,356 2.292,357 2.813,359 6.571,360 2.145,361 3.429,362 2.458,363 5.133,364 3.064,365 2.109,366 2.637,368 6.177,369 2.017,370 3.252,371 2.181,372 5.073,373 2.976,374 2.014,375 2.588,377 5.989,378 1.912,379 3.173,380 2.099,381 4.514,382 2.73,383 1.776,384 2.191,386 4.655,387 1.69,388 2.82,389 1.795,390 4.134,391 2.353,392 1.414,393 1.949,395 3.526,396 1.312,397 2.742,398 1.372,399 4.043,400 2.317,401 1.331,402 1.847,404 3.482,405 1.309,406 2.429,407 1.176,408 3.485,409 2.1,410 1.135,411 1.404,413 2.563,414 1.093,415 2.265,416 1.146,417 3.414,418 1.967,419 1,420 1.209,422 2.275,423 0.965,424 2.118,425 0.999,426 3.327,427 1.87,428 0.905,429 1,431 2.113,432 0.871,433 2.012,434 0.917,435 3.249,436 1.734,437 0.766,438 0.927,440 1.792,441 0.737,442 2,443 0.688,444 3.157,445 1.544,446 0.618,447 0.885,449 1.417,450 0.559,451 15.471,452 0.469,453 0.691,454 0.021,455 40.25,456 1.22,457 18,458 0.545,459 22.25,460 0.674,461 29.658,462 0.899,463 36.129,464 0.592,465 28.974,466 0.878,467 8.017,468 0.243,469 8.136,470 0.247,471 0.037,473 0.304,477 2,479 0.618,480 1.219,481 0.75,482 1.144,483 0.476,484 1.008,485 0.822,486 0.975,487 0.919,488 0.957,489 0.531,490 0.944,491 0.765,492 0.911,493 1.019,494 1.059,495 0.605,496 1.083,497 0.62,498 0.967,499 0.993,500 1.183,501 0.581,502 1.176,503 0.598,504 0.753,505 0.823,506 0.874,507 0.515,508 0.89,509 0.781,510 0.796,511 0.945,512 0.897,513 0.705,514 0.939,515 0.631,516 0.939,517 0.97,518 1.127,519 0.618,520 1.124,521 0.986,522 0.948,523 1.051,524 0.997,525 0.96,526 1.026,527 6,528 0.124,529 3.778,530 1.194,531 1.379,532 0.819,533 0.485,534 0.367,535 0.245,536 0.194,537 19981,538 54831,539 2.168,540 45.9,541 2,542 18,543 1,544 2,545 1,547 4,550 1.744,551 2.084,552 3.904,553 -0.352,559 93.563,560 1.534,561 3.495,562 4.479,563 5.111,564 5.209,565 5.341,566 3.377,567 4.681,568 5.017,569 4.123,570 2176.88,571 8.734,572 35767.6,574 1,577 361.775,578 1.182,579 4.999,580 0.162,581 0.005,582 0.074,583 0.025,584 0.034,585 0.022,586 0.013,587 0.01,588 0.008,589 0.007,590 0.36,591 0.33,592 0.75,593 0.398,594 181.345,595 0.014,596 -0.162,597 0.068,598 -0.078,599 0.025,600 -0.014,601 -0.069,602 0.012,603 -0.028,604 0.031,605 0.033,606 0.018,607 0.059,608 0.052,609 -0.084,610 -0.046,611 0.179,612 -0.082,613 0.001,614 -0.144,615 -0.065,616 -0.164,617 0.012,618 -0.139,619 0.035,620 -0.018,621 0.151,622 0.087,623 0.027,624 0.132,625 -0.004,626 0.059,627 0.022,628 0.068,629 -0.021,630 0.055,631 0.065,632 -0.083,633 -0.033,634 -0.138,635 -0.003,636 -0.118,637 -0.073,638 -0.055,639 -0.053,640 -0.041,641 -0.079,642 -0.041,643 2.448,644 5.383,645 0.788,646 42.209,647 1.004,648 1.142,649 4.651,650 21.635,651 0.656,652 3.638,653 3.951,654 4.22,655 4.443,656 4.625,657 4.691,658 4.796,659 4.927,660 4.997,661 5.05,662 9.225,663 0.627,664 450.59,665 3.638,666 5.176,667 6.023,668 6.887,669 7.746,670 8.612,671 9.477,672 10.346,673 11.214,674 12.085,675 9.8,678 2,683 2,685 2,687 2,688 9,689 2,690 1,693 5,694 1,695 21,713 2,714 61,716 21,717 2,718 37,720 65,721 25,722 16,723 6,724 6,730 5,731 6,743 3,745 16,746 9,762 2,764 28,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 2,827 33,833 9,838 2,844 1,846 2,854 15.833,855 10.786,856 7.194,857 3.834,858 3.626,859 1.437,860 1.023,861 6.701,862 11.917,863 3.882,864 4.477,865 5.064,866 5.632,867 6.076,868 6.405,869 6.8,870 7.214,871 7.412,872 7.626,873 1,874 48,875 12.256,877 5.279,878 7.732,879 23.75,881 19.974,883 2.232,884 73.667,887 1,888 317.82,889 135.467,890 58.259,893 29.92,895 135.467,896 317.82,897 88.179,899 20.238,900 65.905,901 74.105,902 54.876,903 43.835,904 282.506,906 317.82,907 193.726,908 29.92,911 300.656,912 47.084,915 62.408,916 97.992,917 33.326,919 347.74,920 58.259,921 135.467,924 317.82,925 52.325,926 91.29,927 16.786,928 63.246,929 317.82,930 88.179,931 135.467,933 0.581,934 0.339,935 0.175,936 0.09,937 25,938 10,939 0.123,940 8,941 1,942 1.077,943 4.716,944 293.031,945 0.077,946 26,947 158.465,951 22.059,952 10.025,953 5.26,954 2.403,955 69.495,956 16.112,957 7.793,958 3.384,961 1.707,962 1.919,963 16.786,964 541.466,965 47.5,975 61.239,976 69.652,977 0.259,978 0.589,979 0.755,980 0.862,981 0.878,982 0.9,983 5.113,984 1.776,985 5.989,986 5.989,987 4.635,988 5.165,989 1.072,990 6.76,991 4.537,992 6.299,993 1.414,994 7.522,995 4.655,996 4.111,997 4.902,998 0.57,999 7.564,1000 3.938,1001 7.592,1002 1.331,1003 9.152,1004 3.526,1005 6.196,1006 7.358,1007 0.653,1008 10.633,1009 6.012,1010 8.922,1011 1.135,1012 10.84,1013 3.482,1014 6.524,1015 8.007,1016 0.479,1017 12.285,1018 6.272,1019 10.287,1020 1,1021 12.565,1022 2.563,1023 8.025,1024 9.884,1025 0.432,1026 14.848,1027 7.765,1028 11.676,1029 0.905,1030 14.315,1031 2.275,1032 8.744,1033 10.963,1034 0.346,1035 16.862,1036 8.435,1037 13.086,1038 0.766,1039 16.085,1040 2.113,1041 10.007,1042 12.609,1043 0.291,1044 19.256,1045 9.686,1046 3.118,1047 0.618,1048 17.87,1049 1.792,1050 10.919,1051 13.899,1052 0.237,1053 21.436,1054 10.564,1055 2.834,1056 10.431,1057 19.666,1058 1.417,1059 12.081,1060 15.447,1061 0.195,1062 23.775,1063 11.714,1064 2.753,1065 8.884,1066 21.471,1067 4.518,1068 13.088,1069 16.84,1070 0.158,1071 26.033,1072 12.699,1073 2.655,1074 8.327,1075 23.285,1076 3.869,1077 14.211,1078 18.35,1079 0.129,1080 28.358,1081 13.808,1082 2.292,1083 7.404,1084 25.106,1085 3.731,1086 15.266,1087 19.794,1088 0.104,1089 30.654,1090 14.848,1091 2.109,1092 6.571,1093 26.933,1094 2.839,1095 16.375,1096 21.292,1097 0.084,1098 32.978,1099 15.946,1100 2.014,1101 6.177,1102 28.765,1103 2.813,1104 17.456,1105 22.761,1106 0.068,1107 35.294,1108 17.016,1109 18310,1110 30544,1111 25.542,1112 40.046,1113 55.419,1114 55.537,1115 55.542,1116 55.01,1117 54.934,1118 70.693,1119 3.2,1120 154.678,1121 52.179,1122 5.568,1123 5.299,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 11.686,1132 1.498,1133 1.501,1134 1.501,1135 1.487,1136 1.485,1137 1.911,1138 0.086,1139 4.18,1140 1.41,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 8.24,1146 4.07,1147 3.956,1148 3.998,1149 3.904,1150 3.865,1151 8.161,1152 3.867,1153 3.843,1154 3.912,1155 3.79,1156 3.652,1157 5.135,1158 3.663,1159 3.816,1160 3.884,1161 3.723,1162 3.578,1163 4.927,1164 3.616,1165 3.543,1166 3.615,1167 3.403,1168 3.38,1169 4.557,1170 3.379,1171 3.359,1172 3.427,1173 3.243,1174 3.2,1175 4.367,1176 3.2,1177 3.247,1178 3.32,1179 3.118,1180 3.079,1181 4.255,1182 3.077,1183 3.111,1184 3.206,1185 2.874,1186 2.941,1187 3.997,1188 2.91,1189 0.123,1190 0.089,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.299,1197 0.022,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.06,1210 2.064,1211 1.374,1212 2.066,1213 1.913,1214 1.885,1215 2.034,1216 2.045,1217 1.272,1218 2.042,1219 1.795,1220 1.729,1221 1.97,1222 1.975,1223 1.176,1224 1.975,1225 1.648,1226 1.59,1227 1.854,1228 1.826,1229 1.092,1230 1.839,1231 1.418,1232 1.346,1233 1.627,1234 1.672,1235 0.834,1236 1.654,1237 1.372,1238 1.308,1239 1.556,1240 1.586,1241 0.825,1242 1.587,1243 1.253,1244 1.183,1245 1.513,1246 1.456,1247 0.706,1248 1.477,1249 1.153,1250 1.064,1251 1.472,1252 1.442,1253 0.579,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.127,1260 5.283,1261 8.705,1262 7.286,1263 10.326,1267 26.466,1271 8.957,1276 4.926,1280 38.217,1281 93.563,1282 213.167,1283 273.246,1284 311.775,1285 317.775,1286 325.775,1287 54.868,1288 8.291,1289 52.98,1290 52.98,1291 28,1292 12.628,1293 4.459,1294 3.524,1295 48.377,1296 187,1297 169,1298 0.123,1299 230.428,1300 390.04,1301 554.003,1302 59014,1303 3.3,1304 22.623,1305 0.686,1306 0.562,1307 20.882,1308 18.552,1309 16.153,1310 0.437,1311 0.311,1312 11.305,1313 15.413,1314 11.131,1315 9.136,1316 15.348,1317 11.492,1318 14.408,1319 0.283,1320 0.171,1321 13.278,1322 8.698,1323 12.512,1324 0.187,1325 0.098,1326 11.53,1327 6.554,1328 9.966,1329 0.119,1330 0.055,1331 9.52,1332 4.58,1333 7.76,1334 0.077,1335 0.032,1336 7.34,1337 3.21,1338 0.204,1339 101.904,1340 0.198,1341 31.794,1342 0.31,1343 176,1344 564.781,1345 194.846,1346 499.184,1347 674.11,1348 468,1349 206,1350 493.143,1351 226.34,1352 488.029,1353 709.81,1354 459,1355 9.046} {0 CHEMBL119785,1 1.462,2 17.143,3 3.103,4 9.63,5 141.388,6 6.936,7 0.538,8 4.31,9 4.452,10 3.829,11 3.818,12 5.326,13 3.789,14 4.873,15 5.077,16 4.157,17 4.231,18 5.814,19 4.172,20 5.128,21 5.365,22 4.114,23 4.392,24 5.97,25 4.275,26 5.222,27 5.486,28 4.045,29 4.418,30 5.986,31 4.258,32 5.247,33 5.545,34 3.979,35 4.332,36 5.985,37 4.167,38 5.089,39 5.368,40 3.936,41 4.236,42 5.849,43 4.096,44 5.03,45 5.297,46 3.906,47 4.207,48 5.792,49 4.06,50 5.045,51 5.332,52 3.77,53 4.134,54 5.781,55 3.973,56 0.077,57 1.073,58 15.368,59 5.81,60 11.613,61 8.482,62 0.327,63 1.714,64 28.779,65 9.571,66 27.422,67 14.476,68 0.389,69 2.009,70 38.146,71 13.288,72 39.084,73 19.722,74 0.248,75 2.088,76 42.042,77 15.855,78 36.877,79 23.611,80 0.389,81 2.015,82 44.723,83 15.318,84 47.571,85 23.368,86 0.366,87 1.811,88 37.72,89 12.541,90 36.127,91 19.221,92 0.307,93 1.753,94 34.952,95 12.383,96 29.682,97 18.719,98 0.366,99 1.69,100 36.407,101 11.756,102 36.811,103 18.208,104 7,105 53,106 0.229,107 0.551,108 0.723,109 0.807,110 0.823,111 0.841,112 3.588,113 0.954,114 -4.64,115 -4.56,116 -4.29,119 39.7,120 1,121 3,125 6,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 10,171 2,172 5,174 1,176 6,178 11,181 1,182 4,186 5,189 9,193 10,197 2,199 5,203 12,206 1,208 1,211 4,215 7,218 1,222 2,226 7,229 3,233 2,236 1,237 6,244 2,248 1,249 2,252 1,256 4,259 2484,260 24.101,261 24.101,262 24.101,263 24.101,264 24.101,265 21.483,266 30.715,267 14.436,268 24.582,269 19.302,270 19.302,271 19.302,272 19.302,273 19.302,274 15.381,275 34.961,276 6.918,277 20.074,278 4.625,279 2.568,280 1.473,281 0.934,282 0.835,283 0.717,284 4.298,289 1,290 1327,291 3.674,294 197.274,295 373.244,298 169.446,302 2.824,303 18.404,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 74.5,315 600,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.197,327 6.095,328 3.691,329 2.753,330 3.731,331 0.8,332 8.884,333 2.654,334 4.061,335 2.996,336 5.552,337 3.685,338 2.712,339 3.648,340 0.8,341 7.564,342 2.578,343 3.686,344 2.883,345 5.481,346 3.57,347 2.636,348 2.904,349 0.149,350 7.365,351 2.449,352 3.606,353 2.78,354 5.227,355 3.329,356 2.35,357 2.813,359 6.657,360 2.299,361 3.432,362 2.554,363 5.133,364 3.117,365 2.174,366 2.649,368 6.259,369 2.052,370 3.286,371 2.311,372 5.078,373 2.992,374 2.02,375 2.589,377 5.991,378 1.952,379 3.249,380 2.18,381 4.514,382 2.852,383 1.836,384 2.449,386 4.655,387 1.846,388 3.16,389 1.795,390 4.397,391 2.73,392 1.776,393 2.187,395 4.505,396 1.69,397 2.742,398 1.372,399 4.134,400 2.317,401 1.331,402 1.847,404 3.482,405 1.31,406 2.5,407 1.176,408 3.485,409 2.101,410 1.135,411 1.5,413 2.563,414 1.093,415 2.429,416 1.146,417 3.414,418 2,419 1,420 1.404,422 2.275,423 1,424 2.265,425 1,426 3.414,427 1.967,428 1,429 1.209,431 2.275,432 0.965,433 2.118,434 0.984,435 3.326,436 1.871,437 0.905,438 1,440 2.113,441 0.872,442 2.012,443 0.907,444 3.236,445 1.741,446 0.766,447 0.927,449 1.792,450 0.745,451 16.633,452 0.475,453 0.708,454 0.02,455 43.5,456 1.243,457 20,458 0.571,459 23.5,460 0.671,461 31.719,462 0.906,463 37.967,464 0.558,465 31.241,466 0.893,467 8.562,468 0.245,469 8.574,470 0.245,471 0.05,473 0.283,479 0.815,480 1.472,481 0.848,482 1.168,483 0.551,484 1.032,485 1.001,486 1.09,487 0.976,488 0.968,489 0.539,490 0.958,491 1.139,492 0.976,493 1.14,494 1.036,495 1.024,496 1.081,497 0.586,498 1.123,499 0.996,500 1.196,501 0.459,502 1.154,503 0.732,504 0.923,505 0.861,506 0.943,507 0.703,508 0.923,509 0.902,510 0.939,511 0.956,512 0.939,513 0.74,514 0.949,515 0.617,516 1.08,517 0.983,518 1.129,519 0.462,520 1.103,521 0.959,522 0.993,523 1.048,524 1.02,525 0.861,526 1.038,527 6.5,528 0.148,529 3.333,530 1.132,531 1.388,532 0.937,533 0.524,534 0.336,535 0.233,536 0.198,537 23911,538 57342,539 2.158,540 48.5,541 2,542 19,543 1,544 2,545 2,546 3,547 4,550 1.758,551 2.079,552 4.017,553 0.162,559 99.449,560 1.462,561 3.52,562 4.614,563 5.153,564 5.253,565 5.37,566 3.511,567 4.672,568 5.099,569 4.257,570 2533.16,571 8.898,572 44374.7,577 413.947,578 1.15,579 5.086,580 0.167,581 0.005,582 0.063,583 0.023,584 0.032,585 0.023,586 0.013,587 0.009,588 0.007,589 0.007,590 0.348,591 0.17,592 0.75,593 0.676,594 197.122,595 0.049,596 -0.213,597 0.076,598 -0.078,599 0.056,600 -0.013,601 0.005,602 0.072,603 -0.009,604 0.04,605 0.107,606 0.02,607 -0.177,608 0.069,609 -0.173,610 -0.02,611 -0.105,612 -0.085,613 0.025,614 -0.168,615 -0.053,616 -0.152,617 0.074,618 -0.118,619 0.055,620 -0.031,621 0.118,622 0.048,623 0.067,624 0.084,625 -0.038,626 0.02,627 0.024,628 0.045,629 -0.02,630 0.043,631 0.093,632 -0.1,633 -0.024,634 -0.121,635 0.021,636 -0.094,637 -0.061,638 -0.05,639 -0.06,640 -0.053,641 -0.087,642 -0.056,643 1.699,644 4.159,645 0.743,646 48.712,647 0.993,648 1.134,649 3.409,650 11.622,651 0.653,652 3.689,653 3.989,654 4.234,655 4.477,656 4.654,657 4.727,658 4.86,659 4.977,660 5.024,661 5.088,662 10.015,663 0.613,664 471.67,665 3.689,666 5.22,667 6.057,668 6.917,669 7.768,670 8.631,671 9.49,672 10.356,673 11.22,674 12.089,675 10.3,678 2,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 68,716 22,717 2,718 39,720 72,721 27,722 16,723 5,724 7,730 5,731 6,736 1,743 3,745 17,746 10,750 1,755 1,759 1,764 33,765 6,766 2,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,815 2,819 4,823 1,827 35,833 9,834 1,838 2,844 1,847 1.5,850 1,854 16.833,855 12.25,856 7.667,857 4.227,858 3.739,859 1.443,860 1.008,861 7.576,862 12.175,863 3.942,864 4.511,865 5.064,866 5.648,867 6.094,868 6.428,869 6.859,870 7.259,871 7.423,872 7.643,873 1,874 49,875 12.922,877 5.398,878 7.533,879 25.468,881 21.147,883 2.033,884 71.167,888 364.904,889 142.988,890 76.27,892 25.145,895 142.988,896 390.049,897 76.27,898 8.825,899 38.249,900 75.381,901 103.955,902 39.391,903 13.915,904 329.591,906 364.904,907 219.258,908 25.145,911 317.82,912 72.229,915 89.244,916 96.688,917 33.326,919 364.904,920 101.415,921 142.988,924 364.904,925 41.544,926 109.591,927 34.796,928 58.471,929 364.904,930 101.415,931 142.988,933 0.575,934 0.323,935 0.174,936 0.091,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.931,944 311.967,945 0.077,946 26,947 167.525,951 23.741,952 11.169,953 6.176,954 2.46,955 82.73,956 20.252,957 7.835,958 3.414,961 4.632,962 1.941,963 34.796,964 609.307,965 50.5,970 11.159,974 -0.033,975 67.527,976 77.095,977 0.24,978 0.578,979 0.758,980 0.847,981 0.863,982 0.882,983 5.166,984 1.836,985 6.014,986 5.991,987 4.673,988 5.198,989 2.194,990 6.767,991 4.599,992 6.342,993 1.776,994 7.531,995 4.655,996 4.111,997 4.89,998 1.738,999 7.535,1000 4.004,1001 7.625,1002 1.331,1003 9.143,1004 4.505,1005 6.213,1006 7.355,1007 2.953,1008 10.599,1009 6.066,1010 8.943,1011 1.135,1012 10.814,1013 3.482,1014 6.494,1015 7.957,1016 3.061,1017 12.235,1018 6.313,1019 10.295,1020 1,1021 12.524,1022 2.563,1023 8.012,1024 9.848,1025 4.047,1026 14.791,1027 7.801,1028 11.672,1029 1,1030 14.261,1031 2.275,1032 8.694,1033 10.897,1034 4.414,1035 16.806,1036 8.455,1037 13.068,1038 0.905,1039 16.02,1040 2.275,1041 9.966,1042 12.551,1043 5.252,1044 19.198,1045 9.704,1046 3.118,1047 0.766,1048 17.795,1049 2.113,1050 10.853,1051 13.827,1052 5.75,1053 21.385,1054 10.569,1055 2.753,1056 10.431,1057 19.584,1058 1.792,1059 12.02,1060 15.383,1061 6.502,1062 23.726,1063 11.716,1064 2.712,1065 8.884,1066 21.385,1067 4.518,1068 13.013,1069 16.772,1070 7.068,1071 25.991,1072 12.693,1073 2.636,1074 7.564,1075 23.195,1076 3.731,1077 14.136,1078 18.289,1079 7.771,1080 28.32,1081 13.8,1082 2.35,1083 7.365,1084 25.014,1085 3.648,1086 15.185,1087 19.734,1088 8.374,1089 30.622,1090 14.836,1091 2.174,1092 6.657,1093 26.841,1094 2.904,1095 16.295,1096 21.237,1097 9.051,1098 32.95,1099 15.932,1100 2.02,1101 6.259,1102 28.673,1103 2.813,1104 17.374,1105 22.711,1106 9.674,1107 35.27,1108 17,1109 22075,1110 34360,1111 26.929,1112 44.393,1113 58.177,1114 58.063,1115 57.999,1116 57.598,1117 57.636,1118 74.262,1119 7.312,1120 159.697,1121 55.568,1122 5.568,1123 5.533,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 12.454,1132 1.492,1133 1.489,1134 1.487,1135 1.477,1136 1.478,1137 1.904,1138 0.187,1139 4.095,1140 1.425,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 7.43,1146 4.07,1147 3.961,1148 4.005,1149 3.889,1150 3.878,1151 5.135,1152 3.876,1153 3.844,1154 3.914,1155 3.79,1156 3.653,1157 4.927,1158 3.664,1159 3.816,1160 3.888,1161 3.721,1162 3.579,1163 4.747,1164 3.616,1165 3.573,1166 3.636,1167 3.461,1168 3.391,1169 4.381,1170 3.394,1171 3.507,1172 3.564,1173 3.377,1174 3.312,1175 4.256,1176 3.326,1177 3.333,1178 3.401,1179 3.213,1180 3.169,1181 4.053,1182 3.169,1183 3.237,1184 3.313,1185 3.083,1186 3.071,1187 3.949,1188 3.064,1189 0.117,1190 0.091,1191 0.168,1192 0.105,1193 0.08,1194 4.568,1195 0.116,1196 3.533,1197 0.049,1198 6.566,1199 0.267,1200 4.099,1201 0.079,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.07,1210 2.066,1211 1.375,1212 2.07,1213 1.933,1214 1.901,1215 2.043,1216 2.047,1217 1.275,1218 2.046,1219 1.8,1220 1.731,1221 1.986,1222 1.99,1223 1.187,1224 1.994,1225 1.651,1226 1.592,1227 1.859,1228 1.831,1229 1.096,1230 1.844,1231 1.481,1232 1.425,1233 1.724,1234 1.725,1235 0.885,1236 1.722,1237 1.408,1238 1.337,1239 1.627,1240 1.665,1241 0.825,1242 1.646,1243 1.355,1244 1.29,1245 1.558,1246 1.567,1247 0.721,1248 1.576,1249 1.248,1250 1.176,1251 1.513,1252 1.449,1253 0.697,1254 1.475,1255 4.369,1257 5.673,1258 3.045,1259 7.154,1260 5.283,1261 8.716,1262 7.286,1263 10.323,1265 1.535,1271 9.996,1272 2.823,1276 5.153,1280 41.713,1281 99.449,1282 239.328,1283 313.767,1284 350.438,1285 357.193,1286 365.193,1287 47.966,1288 8.436,1289 82.08,1290 82.08,1291 28,1292 12.634,1293 4.524,1294 3.644,1295 52.851,1296 214,1297 206,1298 0.117,1299 255.079,1300 429.65,1301 614.153,1302 72080,1304 24.037,1305 0.687,1306 0.579,1307 24.037,1308 20.282,1309 17.136,1310 0.439,1311 0.318,1312 12.234,1313 16.469,1314 11.956,1315 9.884,1316 17.136,1317 12.402,1318 15.29,1319 0.288,1320 0.176,1321 15.29,1322 9.328,1323 12.577,1324 0.185,1325 0.101,1326 12.577,1327 6.844,1328 10.467,1329 0.12,1330 0.056,1331 10.467,1332 4.843,1333 8.094,1334 0.078,1335 0.033,1336 8.094,1337 3.381,1338 0.195,1339 107.056,1340 0.193,1341 33.561,1342 0.29,1343 184,1344 466.627,1345 199.453,1346 458.497,1347 636.18,1348 432,1349 213,1350 477.366,1351 229.011,1352 484.935,1353 698.7,1354 456,1355 8.745} {0 CHEMBL119800,1 1.442,2 13.103,3 3.508,4 12.303,5 117.617,6 7.176,7 0.581,8 4.057,9 4.178,10 3.591,11 3.614,12 5.184,13 3.583,14 4.548,15 4.73,16 3.877,17 3.959,18 5.608,19 3.909,20 4.725,21 4.904,22 3.939,23 4.113,24 5.792,25 4.03,26 4.874,27 5.112,28 3.862,29 4.104,30 5.873,31 3.991,32 4.789,33 5.013,34 3.82,35 4.04,36 5.823,37 3.931,38 4.757,39 4.996,40 3.776,41 3.952,42 5.788,43 3.847,44 4.633,45 4.848,46 3.718,47 3.883,48 5.646,49 3.792,50 4.716,51 4.954,52 3.638,53 3.851,54 5.755,55 3.753,56 0.03,57 0.745,58 11.143,59 4.885,60 9.141,61 6.501,62 0.243,63 1.161,64 20.175,65 7.501,66 23.476,67 10.222,68 0.136,69 1.349,70 23.697,71 9.875,72 27.616,73 13.294,74 0.249,75 1.464,76 29.763,77 11.492,78 43.788,79 15.843,80 0.181,81 1.358,82 26.802,83 10.666,84 41.314,85 14.627,86 0.445,87 1.307,88 26.868,89 9.735,90 50.447,91 13.631,92 0.163,93 1.202,94 22.695,95 8.461,96 27.794,97 11.712,98 0.48,99 1.228,100 26.47,101 8.813,102 52.893,103 11.84,104 24,105 41,106 0.238,107 0.562,108 0.742,109 0.817,110 0.826,111 0.826,112 3.407,113 0.907,114 -4.06,115 -4.01,116 -3.8,119 44.4,124 3,125 1,134 2,140 9,141 4,142 2,143 2,156 1,169 13,172 6,174 1,176 3,178 15,182 7,186 4,189 13,193 8,197 3,199 9,203 6,208 2,211 7,214 2,215 6,218 1,220 3,222 9,226 2,233 9,236 1,237 4,240 2,244 10,249 2,256 9,259 1476,260 19.646,261 19.646,262 19.646,263 19.646,264 19.646,265 17.236,266 17.685,267 11.844,268 20.038,269 15.247,270 15.247,271 15.247,272 15.247,273 15.247,274 11.599,275 21.648,276 5.559,277 15.737,278 4.313,279 2.346,280 1.251,281 0.797,282 0.746,283 0.746,284 4.091,288 1,289 1,290 798,291 3.742,295 328.59,302 2.114,303 18.442,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 61.5,315 380,316 4.348,317 3.577,318 6.249,319 3.966,320 2.977,321 4,322 1.058,323 9.407,324 2.944,325 4.243,326 3.037,327 6.143,328 3.862,329 2.867,330 3.888,331 0.916,332 9.056,333 2.855,334 3.955,335 2.87,336 5.921,337 3.609,338 2.629,339 3.378,340 0.86,341 8.268,342 2.568,343 3.712,344 2.647,345 5.301,346 3.293,347 2.307,348 3.164,349 0.172,350 6.784,351 2.271,352 3.322,353 2.459,354 4.666,355 3.137,356 2.219,357 2.577,359 5.191,360 2.036,361 3.256,362 2.042,363 4.466,364 2.775,365 1.81,366 2.408,368 4.549,369 1.745,370 3.001,371 1.827,372 4.408,373 2.615,374 1.656,375 2.087,377 4.31,378 1.582,379 2.813,380 1.798,381 4.048,382 2.325,383 1.332,384 1.864,386 3.383,387 1.309,388 2.615,389 1.302,390 3.498,391 2.086,392 1.118,393 1.645,395 2.664,396 1.077,397 2.509,398 1.191,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.047,408 3.288,409 1.987,410 1,411 1.5,413 2.172,414 0.985,415 2.5,416 1,417 3.247,418 1.984,419 1,420 1.387,422 2.136,423 0.983,424 1.744,425 1,426 2.932,427 1.46,428 0.566,429 0.642,431 0.988,432 0.5,433 1.323,434 0.519,435 2.704,436 0.946,437 -0.041,438 -0.052,440 -0.095,441 -0.04,442 1.08,443 0.219,444 2.393,445 0.864,446 -0.09,447 -0.103,449 -0.187,450 -0.086,451 13.867,452 0.478,453 0.609,454 0.021,455 40,456 1.379,457 22,458 0.759,459 18,460 0.621,461 20.539,462 0.708,463 30.533,464 0.565,465 31.324,466 1.08,467 8.459,468 0.292,469 5.604,470 0.193,471 0.132,473 0.281,479 0.797,480 1.303,481 0.825,482 1.097,483 0.64,484 0.982,485 1.171,486 0.863,487 0.929,488 0.786,489 0.702,490 0.809,491 0.961,492 1.172,493 1.056,494 1.184,495 0.914,496 1.14,497 1.037,498 0.941,499 0.944,500 0.967,501 1.101,502 0.951,503 0.969,504 1.119,505 0.966,506 1.109,507 1.302,508 1.056,509 0.938,510 0.948,511 0.924,512 0.911,513 1.154,514 0.919,515 1.105,516 1.219,517 1.046,518 1.152,519 1.042,520 1.097,521 1.778,522 0.67,523 1.161,524 0.777,525 1.773,526 0.879,527 5.5,528 0.136,529 3.111,530 1.375,531 1.267,532 0.951,533 0.585,534 0.443,535 0.34,536 0.11,537 11433,538 28668,539 2.033,540 46.3,542 22,544 2,545 1,550 1.717,551 1.912,552 3.677,553 -0.405,555 1,559 77.874,560 1.442,561 3.409,562 4.504,563 4.958,564 5.009,565 5.009,566 3.142,567 4.375,568 4.825,569 3.852,570 1563.84,571 8.391,572 22253.8,574 1,576 1,577 310.764,578 1.358,579 4.792,580 0.177,581 0.006,582 0.076,583 0.033,584 0.033,585 0.026,586 0.017,587 0.014,588 0.012,589 0.004,590 0.399,591 0.5,592 1,593 1.33,594 150.407,595 -0.007,596 -0.166,597 0.049,598 -0.069,599 -0.048,600 -0.015,601 -0.082,602 0.24,603 0.023,604 0.188,605 0.023,606 0.134,607 -0.07,608 -0.137,609 -0.133,610 -0.168,611 -0.007,612 -0.158,613 -0.049,614 0.011,615 0.038,616 0.03,617 -0.001,618 0.043,619 -0.013,620 -0.163,621 0.002,622 -0.103,623 -0.034,624 -0.059,625 0.217,626 0.023,627 0.08,628 0.061,629 0.076,630 0.053,631 -0.057,632 -0.2,633 -0.074,634 -0.179,635 -0.039,636 -0.135,637 -0.154,638 0.314,639 -0.108,640 0.16,641 -0.15,642 0.051,643 1.827,644 5.71,645 0.621,646 34.507,647 0.994,648 1.12,649 2.835,650 8.036,651 0.672,652 3.466,653 3.738,654 3.951,655 4.143,656 4.357,657 4.382,658 4.477,659 4.5,660 4.543,661 4.564,662 7.643,663 0.635,664 387.52,665 3.466,666 4.977,667 5.796,668 6.642,669 7.48,670 8.333,671 9.179,672 10.034,673 10.884,674 11.741,675 5.6,678 1,682 1,685 1,688 11,689 1,693 6,695 18,702 1,712 1,714 54,716 20,717 2,718 31,720 56,721 24,722 17,723 5,724 7,725 3,730 3,731 3,745 20,746 4,750 2,755 1,757 2,759 1,761 1,764 25,765 5,766 1,767 5,773 3,777 1,778 2,786 1,793 3,810 2,815 1,819 3,823 3,827 29,833 1,834 1,835 1,838 1,847 3.7,850 1,852 1,854 15.167,855 10.567,856 6.583,857 2.946,858 3.48,859 1.478,860 0.967,861 7.041,862 10.755,863 3.761,864 4.311,865 4.862,866 5.402,867 5.949,868 6.128,869 6.488,870 6.737,871 7.031,872 7.319,873 0.889,874 42,875 10.667,877 4.32,878 7.678,879 20.382,881 15.861,883 2.178,884 63.167,886 1,887 1,888 282.506,889 177.562,890 37.921,892 36.145,895 177.562,896 318.651,897 37.921,898 27.676,899 20.116,900 104.239,901 70.177,902 52.962,904 258.964,906 282.506,907 215.483,908 36.145,911 282.506,912 36.145,915 41.336,916 138.409,917 35.738,919 282.506,920 74.065,921 177.562,924 282.506,925 27.553,926 153.134,927 18.011,928 52.93,929 282.506,930 74.065,931 177.562,933 0.567,934 0.32,935 0.166,936 0.091,937 17,938 8,939 0.125,940 7,942 1,943 4.138,944 236.297,946 18,947 130.881,951 20.626,952 9.899,953 5.689,955 74.065,956 20.614,957 4.035,961 5.084,963 18.011,964 534.134,965 42,970 12.71,972 4.01,974 -0.161,975 53.68,976 60.481,977 0.251,978 0.592,979 0.783,980 0.862,981 0.87,982 0.87,983 4.959,984 1.332,985 5.753,986 4.31,987 4.419,988 4.997,989 1.828,990 6.497,991 4.369,992 6.146,993 1.118,994 7.272,995 3.383,996 3.892,997 4.605,998 0.325,999 7.286,1000 3.83,1001 7.424,1002 1,1003 8.89,1004 2.664,1005 5.948,1006 7.125,1007 1.716,1008 10.329,1009 5.866,1010 8.737,1011 1,1012 10.568,1013 2.275,1014 6.236,1015 7.548,1016 0.393,1017 11.942,1018 6.151,1019 10.081,1020 1,1021 12.283,1022 2.172,1023 7.742,1024 9.521,1025 1.672,1026 14.477,1027 7.642,1028 11.447,1029 0.566,1030 14.025,1031 2.136,1032 8.417,1033 10.351,1034 0.384,1035 16.425,1036 8.317,1037 12.83,1038 -0.041,1039 15.785,1040 0.988,1041 9.681,1042 12.056,1043 1.667,1044 18.771,1045 9.569,1046 2.977,1047 -0.09,1048 17.558,1049 -0.095,1050 10.55,1051 13.112,1052 0.351,1053 20.865,1054 10.438,1055 2.867,1056 9.407,1057 19.34,1058 -0.187,1059 11.704,1060 14.672,1061 1.688,1062 23.135,1063 11.582,1064 2.629,1065 9.056,1066 21.13,1067 4,1068 12.672,1069 15.858,1070 0.312,1071 25.295,1072 12.547,1073 2.307,1074 8.268,1075 22.925,1076 3.888,1077 13.776,1078 17.336,1079 1.729,1080 27.534,1081 13.643,1082 2.219,1083 6.784,1084 24.724,1085 3.378,1086 14.794,1087 18.598,1088 0.273,1089 29.725,1090 14.656,1091 1.81,1092 5.191,1093 26.527,1094 3.164,1095 15.877,1096 20.031,1097 1.786,1098 31.952,1099 15.731,1100 1.656,1101 4.549,1102 28.333,1103 2.577,1104 16.921,1105 21.339,1106 0.236,1107 34.158,1108 16.769,1109 11195,1110 17870,1111 20.572,1112 36.302,1113 45.809,1114 46.49,1115 46.508,1116 44.953,1117 44.962,1118 60.08,1119 6.014,1120 122.366,1121 43.707,1122 5.178,1123 5.577,1124 6.051,1125 5.001,1126 4.977,1127 7,1128 2.117,1129 15.817,1130 4.944,1131 14.537,1132 1.478,1133 1.5,1134 1.5,1135 1.45,1136 1.45,1137 1.938,1138 0.194,1139 3.947,1140 1.41,1141 4.021,1142 4.048,1143 3.973,1144 3.951,1145 7.429,1146 3.952,1147 3.936,1148 3.958,1149 3.888,1150 3.877,1151 4.936,1152 3.876,1153 3.732,1154 3.78,1155 3.665,1156 3.619,1157 4.853,1158 3.623,1159 3.659,1160 3.732,1161 3.533,1162 3.485,1163 4.689,1164 3.486,1165 3.385,1166 3.424,1167 3.314,1168 3.176,1169 4.431,1170 3.196,1171 3.28,1172 3.347,1173 3.11,1174 3.06,1175 4.318,1176 3.07,1177 3.131,1178 3.204,1179 2.966,1180 2.882,1181 4.078,1182 2.889,1183 2.874,1184 3.009,1185 2.76,1186 2.735,1187 3.938,1188 2.715,1189 0.14,1190 0.115,1191 0.202,1192 0.128,1193 0.096,1194 4.348,1195 0.129,1196 3.577,1197 0.034,1198 6.249,1199 0.303,1200 3.966,1201 0.095,1202 2.977,1203 4,1204 1.058,1205 9.407,1206 2.944,1207 1.976,1208 1.953,1209 2.066,1210 2.064,1211 1.172,1212 2.066,1213 1.926,1214 1.908,1215 2.02,1216 2.012,1217 1.147,1218 2.015,1219 1.704,1220 1.664,1221 1.864,1222 1.867,1223 0.998,1224 1.871,1225 1.627,1226 1.56,1227 1.825,1228 1.828,1229 0.853,1230 1.831,1231 1.328,1232 1.268,1233 1.593,1234 1.557,1235 0.665,1236 1.553,1237 1.234,1238 1.175,1239 1.574,1240 1.508,1241 0.577,1242 1.539,1243 1.079,1244 1.008,1245 1.417,1246 1.348,1247 0.469,1248 1.339,1249 0.934,1250 0.821,1251 1.27,1252 1.239,1253 0.311,1254 1.308,1255 4.143,1257 5.425,1259 6.901,1261 8.462,1263 10.068,1265 5.638,1271 0.809,1272 2.951,1273 5.41,1276 2.065,1280 34.289,1281 77.874,1282 184.075,1283 243.215,1284 267.744,1285 270.499,1286 270.499,1287 48.548,1288 7.274,1289 54.46,1290 54.46,1291 18,1292 12.295,1293 4.392,1294 3.585,1295 52.677,1296 132,1297 127,1298 0.191,1299 214.98,1300 375.52,1301 516.312,1302 14579,1304 20.64,1305 0.712,1306 0.584,1307 20.64,1308 16.924,1309 14.063,1310 0.454,1311 0.302,1312 9.247,1313 13.58,1314 8.888,1315 7.517,1316 14.063,1317 9.377,1318 12.218,1319 0.298,1320 0.168,1321 12.218,1322 6.889,1323 9.779,1324 0.192,1325 0.087,1326 9.779,1327 4.416,1328 7.778,1329 0.125,1330 0.047,1331 7.778,1332 2.89,1333 6.172,1334 0.08,1335 0.024,1336 6.172,1337 1.876,1338 0.308,1339 87.76,1340 0.22,1341 28.137,1342 0.502,1343 144,1344 407.094,1345 153.95,1346 398.966,1347 542.7,1348 374,1349 164,1350 389.956,1351 174.146,1352 405.321,1353 579.26,1354 376,1355 6.252} {0 CHEMBL119927,1 1.531,2 13.333,3 2.522,4 6.358,5 116.972,6 7.337,7 0.485,8 4.104,9 4.231,10 3.659,11 3.63,12 5.213,13 3.614,14 4.648,15 4.827,16 3.992,17 4.026,18 5.656,19 3.986,20 4.917,21 5.132,22 4.069,23 4.185,24 5.932,25 4.11,26 4.956,27 5.169,28 3.999,29 4.193,30 5.971,31 4.093,32 5.01,33 5.259,34 3.914,35 4.104,36 6.024,37 3.99,38 4.877,39 5.135,40 3.735,41 3.937,42 5.882,43 3.832,44 4.64,45 4.879,46 3.648,47 3.8,48 5.7,49 3.707,50 4.586,51 4.821,52 3.643,53 3.736,54 5.667,55 3.652,56 0.028,57 0.832,58 11.419,59 4.723,60 12.717,61 6.369,62 0.22,63 1.327,64 21.731,65 7.82,66 21.365,67 10.866,68 0.463,69 1.612,70 30.276,71 10.602,72 46.886,73 14.892,74 0.247,75 1.64,76 31.156,77 11.725,78 48.138,79 16.213,80 0.461,81 1.605,82 35.176,83 11.948,84 70.126,85 16.946,86 0.478,87 1.403,88 31.422,89 9.569,90 65.571,91 13.761,92 0.296,93 1.16,94 23.649,95 7.954,96 45.228,97 11.318,98 0.235,99 1.06,100 22.471,101 8.007,102 40.99,103 11.149,104 15,105 45,106 0.251,107 0.603,108 0.741,109 0.833,110 0.863,111 0.863,112 3.44,113 0.922,114 -2.47,115 -2.5,116 -2.44,119 41.8,121 1,125 6,140 7,141 3,142 2,149 1,150 1,156 2,161 1,162 1,163 1,169 8,171 1,172 5,176 4,178 8,180 1,181 3,182 5,186 4,189 6,191 1,192 1,193 4,197 1,199 2,201 1,202 1,203 8,206 1,207 1,208 1,210 1,211 1,213 1,214 1,215 6,220 1,224 1,225 1,226 5,228 1,229 1,231 1,235 1,237 8,240 2,248 1,249 5,259 1500,260 20.809,261 20.809,262 20.809,263 20.809,264 20.809,265 18.73,266 22.024,267 12.374,268 21.205,269 16.184,270 16.184,271 16.184,272 16.184,273 16.184,274 12.862,275 24.732,276 5.668,277 16.816,278 4.25,279 2.097,280 1.252,281 0.691,282 0.509,283 0.509,284 4.139,288 1,289 1,290 869,291 3.464,294 80.085,295 299.633,298 139.141,302 2.133,303 27.56,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64.5,315 400,316 4.55,317 4.073,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.34,326 3.741,327 6.5,328 3.985,329 3.027,330 3.918,331 2.035,332 10.166,333 2.905,334 3.957,335 3.184,336 6.02,337 3.722,338 2.762,339 3.175,340 0.933,341 8.548,342 2.643,343 3.697,344 3.155,345 5.317,346 3.312,347 2.369,348 3.052,349 0.8,350 6.859,351 2.233,352 3.516,353 2.743,354 5.21,355 3.105,356 2.143,357 2.673,358 0.51,359 6.224,360 2.054,361 3.344,362 2.446,363 5.096,364 2.936,365 1.967,366 2.507,368 5.913,369 1.895,370 3.181,371 2.162,372 4.264,373 2.513,374 1.528,375 2.222,377 3.953,378 1.503,379 2.786,380 2.087,381 4.15,382 2.453,383 1.469,384 1.858,386 3.495,387 1.436,388 2.736,389 1.499,390 3.949,391 2.301,392 1.32,393 1.78,395 3.239,396 1.293,397 2.657,398 1.476,399 3.594,400 2.055,401 1.1,402 1.344,404 2.721,405 1.046,406 2.371,407 1.379,408 3.414,409 2.004,410 1.043,411 1.27,413 2.275,414 0.998,415 2.316,416 1.204,417 3.338,418 1.967,419 1,420 1,422 2.111,423 0.965,424 2.003,425 1.146,426 3.098,427 1.645,428 0.693,429 0.926,431 1.44,432 0.655,433 2,434 1.132,435 2.986,436 1.439,437 0.492,438 0.872,440 0.937,441 0.464,442 1.719,443 0.74,444 2.749,445 1.333,446 0.397,447 0.497,449 0.719,450 0.365,451 14.167,452 0.472,453 0.568,454 0.019,455 39.25,456 1.308,457 19.5,458 0.65,459 19.75,460 0.658,461 24.175,462 0.806,463 32.033,464 0.582,465 29.365,466 0.979,467 7.836,468 0.261,469 6.854,470 0.228,471 0.08,473 0.304,479 0.867,480 1.33,481 0.808,482 1.082,483 0.598,484 0.952,485 1.066,486 1.092,487 0.949,488 0.967,489 0.583,490 0.936,491 0.996,492 0.92,493 0.986,494 0.933,495 0.771,496 0.95,497 1.039,498 1.174,499 1.103,500 1.239,501 1.088,502 1.198,503 1.12,504 1.021,505 1.01,506 1.058,507 1.147,508 1.038,509 1.476,510 0.915,511 1.107,512 0.891,513 1.352,514 0.941,515 1.1,516 0.982,517 1.032,518 1.032,519 1.244,520 1.023,521 1.046,522 1.028,523 0.871,524 1.069,525 1.044,526 0.977,527 5,528 0.089,529 3.778,530 1.854,531 1.298,532 0.945,533 0.559,534 0.395,535 0.308,536 0.183,537 13438,538 34450,539 2.107,540 45.5,542 19,543 1,545 3,547 2,550 1.722,551 2,552 3.677,553 0.867,555 1,559 84.227,560 1.531,561 3.685,562 4.529,563 5.09,564 5.272,565 5.272,566 3.127,567 4.64,568 4.88,569 3.88,570 1687.83,571 8.478,572 24671.4,574 1,576 1,577 317.975,578 1.295,579 4.851,580 0.152,581 0.004,582 0.084,583 0.039,584 0.031,585 0.026,586 0.018,587 0.014,588 0.011,589 0.007,590 0.385,591 0.33,592 1,593 0.92,594 157.487,595 -0.062,596 -0.132,597 0.047,598 -0.031,599 -0.008,600 0.018,601 -0.078,602 0.025,603 -0.024,604 0.032,605 -0.019,606 0.019,607 0.048,608 0.107,609 -0.02,610 0.057,611 0.029,612 0.021,613 -0.067,614 -0.187,615 -0.151,616 -0.221,617 -0.079,618 -0.204,619 0.038,620 -0.107,621 0.005,622 -0.076,623 -0.046,624 -0.051,625 -0.163,626 0.018,627 -0.066,628 0.05,629 -0.165,630 0.013,631 -0.006,632 -0.006,633 -0.037,634 -0.061,635 -0.052,636 -0.052,637 0.111,638 -0.107,639 0.132,640 -0.068,641 0.116,642 0.017,643 1.695,644 5.628,645 0.7,646 32.667,647 1,648 1.128,649 1.239,650 1.535,651 0.665,652 3.526,653 3.829,654 4.127,655 4.369,656 4.564,657 4.595,658 4.71,659 4.779,660 4.771,661 4.787,662 7.873,663 0.633,664 403.53,665 3.526,666 5.056,667 5.911,668 6.781,669 7.651,670 8.526,671 9.401,672 10.277,673 11.154,674 12.031,675 9.1,676 1,681 1,682 1,683 1,684 1,687 2,688 8,690 1,693 4,695 16,697 1,709 1,712 1,714 55,716 18,717 2,718 33,720 58,721 23,722 14,723 5,724 7,730 4,731 5,736 1,743 1,744 1,745 15,746 7,750 1,755 1,759 1,761 1,764 25,765 6,766 3,767 7,773 5,777 0.75,778 2,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 30,828 1,833 7,835 1,838 2,840 1,843 1,845 1,847 3.6,850 1,852 1,854 15,855 9.683,856 6.806,857 3.307,858 3.217,859 1.412,860 0.999,861 6.343,862 11.025,863 3.807,864 4.353,865 4.958,866 5.518,867 5.99,868 6.206,869 6.537,870 6.816,871 6.782,872 6.845,873 0.889,874 47,875 11.097,877 4.696,878 7.756,879 21.294,881 17.541,883 2.256,884 67.667,887 1,888 258.964,889 133.431,890 86.991,892 36.145,895 133.431,896 295.109,897 86.991,899 53.677,900 75.381,901 46.451,902 78.913,903 13.915,904 247.193,906 258.964,907 220.422,908 36.145,911 235.422,912 59.687,915 101.522,916 118.9,919 258.964,920 123.136,921 133.431,924 258.964,925 41.449,926 81.63,927 33.387,928 100.101,929 258.964,930 123.136,931 133.431,933 0.569,934 0.347,935 0.192,936 0.103,937 21,938 9,939 0.103,940 6,941 1,942 1.095,943 4.259,944 259.103,945 0.095,946 21,947 139.207,951 20.43,952 9.314,953 4.52,954 2.112,955 106.35,956 15.327,958 3.231,961 3.416,963 49.683,964 515.531,965 44,970 12.628,974 -0.028,975 55,976 62.062,977 0.265,978 0.637,979 0.783,980 0.88,981 0.912,982 0.912,983 5.043,984 1.469,985 5.878,986 3.953,987 4.511,988 5.04,989 2.974,990 6.681,991 4.438,992 6.234,993 1.32,994 7.431,995 3.495,996 4.007,997 4.783,998 1.738,999 7.582,1000 3.909,1001 7.533,1002 1.1,1003 9.086,1004 3.239,1005 6.094,1006 7.229,1007 4.129,1008 10.673,1009 5.952,1010 8.869,1011 1.043,1012 10.802,1013 2.721,1014 6.463,1015 7.888,1016 3.296,1017 12.423,1018 6.297,1019 10.24,1020 1,1021 12.559,1022 2.275,1023 7.968,1024 9.765,1025 5.47,1026 15.009,1027 7.766,1028 11.636,1029 0.693,1030 14.342,1031 2.111,1032 8.735,1033 10.854,1034 4.854,1035 17.095,1036 8.512,1037 13.051,1038 0.492,1039 16.144,1040 1.44,1041 10.004,1042 12.504,1043 6.859,1044 19.511,1045 9.75,1046 3.092,1047 0.397,1048 17.959,1049 0.937,1050 10.956,1051 13.802,1052 6.37,1053 21.735,1054 10.681,1055 3.027,1056 10.36,1057 19.786,1058 0.719,1059 12.128,1060 15.356,1061 8.267,1062 24.091,1063 11.827,1064 2.762,1065 10.166,1066 21.62,1067 4.504,1068 13.165,1069 16.756,1070 7.856,1071 26.373,1072 12.843,1073 2.369,1074 8.548,1075 23.461,1076 3.918,1077 14.298,1078 18.271,1079 9.683,1080 28.708,1081 13.952,1082 2.143,1083 6.859,1084 25.307,1085 3.175,1086 15.375,1087 19.719,1088 9.324,1089 31.015,1090 15.007,1091 1.967,1092 6.224,1093 27.157,1094 3.052,1095 16.493,1096 21.22,1097 11.104,1098 33.344,1099 16.103,1100 1.528,1101 5.913,1102 29.01,1103 2.673,1104 17.589,1105 22.693,1106 10.781,1107 35.662,1108 17.178,1109 12701,1110 20451,1111 22.364,1112 36.552,1113 50.346,1114 52.486,1115 50.643,1116 48.784,1117 48.805,1118 63.196,1119 12.666,1120 137.923,1121 46.994,1122 5.55,1123 6.073,1124 6.313,1125 5.16,1126 5.092,1127 7.504,1128 4.09,1129 17.092,1130 5.043,1131 12.884,1132 1.526,1133 1.59,1134 1.535,1135 1.478,1136 1.479,1137 1.915,1138 0.384,1139 4.179,1140 1.424,1141 4.132,1142 4.164,1143 4.09,1144 4.045,1145 7.427,1146 4.052,1147 3.97,1148 4.013,1149 3.913,1150 3.878,1151 6.82,1152 3.881,1153 3.767,1154 3.815,1155 3.686,1156 3.581,1157 5.037,1158 3.598,1159 3.573,1160 3.633,1161 3.461,1162 3.424,1163 4.957,1164 3.423,1165 3.442,1166 3.502,1167 3.308,1168 3.206,1169 4.711,1170 3.226,1171 3.277,1172 3.339,1173 3.166,1174 3.067,1175 4.562,1176 3.08,1177 3.183,1178 3.236,1179 3.143,1180 3.03,1181 4.263,1182 3.05,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.988,1188 2.91,1189 0.138,1190 0.123,1191 0.198,1192 0.124,1193 0.094,1194 4.55,1195 0.136,1196 4.073,1197 0.062,1198 6.546,1199 0.314,1200 4.076,1201 0.092,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.938,1208 1.918,1209 2.044,1210 2.067,1211 1.299,1212 2.062,1213 1.928,1214 1.898,1215 2.019,1216 2.022,1217 1.224,1218 2.021,1219 1.712,1220 1.654,1221 1.897,1222 1.895,1223 1.038,1224 1.898,1225 1.648,1226 1.59,1227 1.851,1228 1.845,1229 1.016,1230 1.853,1231 1.353,1232 1.311,1233 1.564,1234 1.63,1235 0.825,1236 1.611,1237 1.266,1238 1.182,1239 1.513,1240 1.538,1241 0.727,1242 1.535,1243 1.153,1244 1.075,1245 1.509,1246 1.376,1247 0.555,1248 1.429,1249 1.12,1250 1.064,1251 1.23,1252 1.297,1253 0.357,1254 1.276,1255 4.205,1257 5.509,1258 2.398,1259 7.018,1260 4.727,1261 8.617,1262 6.823,1263 10.262,1269 5.678,1271 4.003,1273 5.787,1276 3.974,1278 9.301,1279 2.236,1280 34.805,1281 84.227,1282 202.656,1283 249.104,1284 279.975,1285 289.975,1286 289.975,1287 52.41,1288 7.808,1289 98.38,1290 98.38,1291 23,1292 12.569,1293 4.248,1294 3.585,1295 47.418,1296 144,1297 133,1298 0.159,1299 214.511,1300 370.5,1301 515.166,1302 30094,1304 20.924,1305 0.697,1306 0.56,1307 20.924,1308 16.804,1309 14.69,1310 0.445,1311 0.307,1312 9.997,1313 14.138,1314 9.815,1315 8.08,1316 14.69,1317 10.141,1318 12.575,1319 0.279,1320 0.163,1321 12.575,1322 7.345,1323 11.079,1324 0.182,1325 0.09,1326 11.079,1327 5.512,1328 9.169,1329 0.118,1330 0.05,1331 9.169,1332 3.887,1333 7.356,1334 0.077,1335 0.027,1336 7.356,1337 2.609,1338 0.258,1339 91.938,1340 0.211,1341 28.908,1342 0.412,1343 156,1344 438.052,1345 169.695,1346 426.248,1347 582.24,1348 400,1349 184,1350 424.528,1351 198.695,1352 430.223,1353 627.37,1354 406,1355 9.223} {0 CHEMBL120055,1 1.471,2 13.207,3 3.129,4 9.79,5 116.276,6 6.887,7 0.5,8 4.131,9 4.264,10 3.635,11 3.643,12 5.158,13 3.615,14 4.688,15 4.88,16 3.976,17 4.043,18 5.642,19 3.991,20 4.941,21 5.159,22 4.038,23 4.2,24 5.893,25 4.111,26 5.003,27 5.227,28 3.943,29 4.216,30 5.907,31 4.095,32 5.063,33 5.323,34 3.854,35 4.135,36 5.962,37 3.992,38 4.959,39 5.24,40 3.68,41 3.976,42 5.803,43 3.834,44 4.716,45 4.982,46 3.612,47 3.825,48 5.635,49 3.708,50 4.603,51 4.839,52 3.619,53 3.748,54 5.635,55 3.653,56 0.049,57 0.846,58 12.976,59 5.108,60 9.403,61 7.192,62 0.247,63 1.356,64 24.123,65 8.363,66 21.65,67 12.14,68 0.475,69 1.627,70 31.932,71 11.095,72 42.894,73 15.996,74 0.268,75 1.672,76 33.808,77 12.408,78 37.472,79 17.689,80 0.468,81 1.634,82 37.248,83 12.881,84 56.664,85 18.588,86 0.465,87 1.439,88 34.247,89 10.859,90 48.174,91 16.062,92 0.302,93 1.189,94 26.235,95 8.674,96 35.602,97 12.825,98 0.25,99 1.065,100 23.088,101 8.118,102 37.068,103 11.513,104 12,105 44,106 0.241,107 0.571,108 0.743,109 0.832,110 0.861,111 0.861,112 3.407,113 0.953,114 -3.04,115 -3.04,116 -2.92,119 40.4,120 1,121 1,125 6,140 7,141 3,142 2,149 1,150 1,156 1,161 1,162 1,163 1,169 9,171 1,172 4,176 4,178 9,180 1,181 3,182 5,186 4,189 8,191 1,193 2,197 1,199 3,201 1,202 1,203 7,206 1,207 1,208 1,210 1,211 1,213 1,214 1,215 7,220 1,224 1,226 5,228 1,229 1,231 1,235 1,237 9,240 2,249 6,259 1360,260 19.938,261 19.938,262 19.938,263 19.938,264 19.938,265 17.9,266 21.003,267 11.853,268 20.325,269 15.746,270 15.746,271 15.746,272 15.746,273 15.746,274 12.614,275 24.173,276 5.516,277 16.358,278 4.362,279 2.342,280 1.292,281 0.75,282 0.575,283 0.575,284 4.106,288 1,289 1,290 836,291 3.317,294 76.765,295 288.912,298 133.453,302 2.076,303 22.463,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 383,316 4.55,317 3.742,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.273,326 3.219,327 6.451,328 3.963,329 3.007,330 3.839,331 0.933,332 9.941,333 2.879,334 3.951,335 3.181,336 6.017,337 3.716,338 2.754,339 3.175,340 0.8,341 8.537,342 2.638,343 3.695,344 2.744,345 5.316,346 3.311,347 2.367,348 3.051,349 0.51,350 6.857,351 2.232,352 3.347,353 2.485,354 5.099,355 3.063,356 2.096,357 2.672,359 5.92,360 2.018,361 3.303,362 2.164,363 5.073,364 2.934,365 1.966,366 2.439,368 5.831,369 1.894,370 2.863,371 2.102,372 4.232,373 2.464,374 1.49,375 2.016,377 3.887,378 1.44,379 2.769,380 1.5,381 4.145,382 2.414,383 1.414,384 1.856,386 3.484,387 1.414,388 2.728,389 1.476,390 3.865,391 2.301,392 1.32,393 1.772,395 3.087,396 1.293,397 2.373,398 1.379,399 3.581,400 2.054,401 1.099,402 1.341,404 2.72,405 1.045,406 2.317,407 1.204,408 3.414,409 2.004,410 1.043,411 1.266,413 2.275,414 0.998,415 2.003,416 1.146,417 3.338,418 1.967,419 1,420 1,422 2.111,423 0.965,424 2,425 1.132,426 3.098,427 1.644,428 0.692,429 0.883,431 1.439,432 0.654,433 1.719,434 0.74,435 2.985,436 1.346,437 0.412,438 0.504,440 0.921,441 0.378,442 1.131,443 0.248,444 2.565,445 0.872,446 -0.112,447 -0.13,449 -0.248,450 -0.109,451 13.767,452 0.475,453 0.606,454 0.021,455 35.5,456 1.224,457 16.5,458 0.569,459 19,460 0.655,461 25.111,462 0.866,463 31.833,464 0.558,465 25.952,466 0.895,467 7.162,468 0.247,469 6.99,470 0.241,471 0.09,473 0.312,479 0.888,480 1.38,481 0.87,482 1.13,483 0.728,484 1.009,485 1.089,486 1.109,487 0.956,488 0.965,489 0.692,490 0.935,491 1.03,492 0.964,493 1.035,494 0.979,495 0.929,496 0.998,497 1.092,498 1.194,499 1.149,500 1.241,501 1.205,502 1.212,503 1.074,504 1.035,505 1.016,506 1.084,507 1.142,508 1.062,509 1.311,510 0.882,511 0.989,512 0.864,513 1.077,514 0.888,515 1.054,516 0.935,517 0.921,518 0.926,519 1.047,520 0.906,521 1.098,522 1.076,523 0.908,524 1.094,525 1.372,526 1.004,527 5,528 0.089,529 3.778,530 1.854,531 1.258,532 0.882,533 0.539,534 0.367,535 0.283,536 0.183,537 12371,538 27771,539 2.111,540 49.1,541 3,542 19,543 1,545 3,547 2,550 1.713,551 2,552 3.657,553 0.857,555 1,559 83.827,560 1.471,561 3.491,562 4.541,563 5.083,564 5.258,565 5.258,566 3.112,567 4.651,568 4.831,569 3.849,570 1562.63,571 8.378,572 22218.9,574 1,576 1,577 332.475,578 1.314,579 4.8,580 0.156,581 0.004,582 0.086,583 0.041,584 0.032,585 0.026,586 0.019,587 0.013,588 0.01,589 0.008,590 0.395,591 0.33,592 1,593 0.841,594 150.526,595 -0.043,596 -0.137,597 0.056,598 -0.034,599 -0.063,600 0.017,601 -0.049,602 0.037,603 0.016,604 0.05,605 -0.008,606 0.046,607 0.06,608 0.099,609 -0.052,610 0.02,611 0.02,612 -0.019,613 -0.101,614 -0.183,615 -0.183,616 -0.22,617 -0.119,618 -0.213,619 0.067,620 -0.115,621 -0.017,622 -0.106,623 -0.001,624 -0.082,625 -0.068,626 0.019,627 0.034,628 0.075,629 -0.038,630 0.067,631 0.02,632 0.02,633 0.079,634 0.035,635 0.069,636 0.064,637 0.119,638 -0.118,639 0.093,640 -0.099,641 0.138,642 -0.022,643 1.634,644 5.624,645 0.724,646 30.713,647 0.994,648 1.13,649 1.806,650 3.261,651 0.65,652 3.497,653 3.807,654 4.094,655 4.331,656 4.522,657 4.554,658 4.673,659 4.736,660 4.7,661 4.754,662 7.69,663 0.611,664 392.55,665 3.497,666 5.03,667 5.883,668 6.753,669 7.621,670 8.496,671 9.368,672 10.244,673 11.119,674 11.996,675 7,676 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 57,716 17,717 2,718 32,720 60,721 23,722 14,723 5,724 7,730 4,731 5,736 2,743 1,745 15,746 8,750 1,755 1,759 1,761 1,764 28,765 5,766 3,767 6,773 4,777 0.75,778 2,788 1,792 1,793 3,796 1,806 1,812 1,819 3,823 1,827 29,828 1,833 7,835 1,838 2,847 3.5,850 1,852 1,854 14.5,855 10.233,856 6.472,857 3.444,858 2.932,859 1.38,860 1.002,861 6.188,862 10.65,863 3.738,864 4.314,865 4.893,866 5.443,867 5.914,868 6.123,869 6.455,870 6.77,871 6.685,872 6.785,873 0.889,874 45,875 10.757,877 4.527,878 7.609,879 20.961,881 17.34,883 2.109,884 61.167,887 1,888 294.278,889 125.655,890 55.931,892 36.145,895 125.655,896 330.422,897 55.931,898 8.825,899 53.677,900 75.381,901 29.85,902 47.854,903 13.915,904 282.506,906 294.278,907 181.586,908 36.145,911 270.735,912 59.687,915 79.288,916 102.299,919 294.278,920 92.076,921 125.655,924 294.278,925 41.449,926 90.455,927 16.786,928 69.042,929 294.278,930 92.076,931 125.655,933 0.575,934 0.344,935 0.187,936 0.1,937 21,938 9,939 0.1,940 6,941 1,942 1.095,943 4.188,944 247.512,945 0.095,946 21,947 134.881,951 19.956,952 8.992,953 4.475,954 2.159,955 75.291,956 16.242,958 3.247,961 4.405,963 49.683,964 512.009,965 41,970 12.624,974 0.033,975 56.665,976 64.394,977 0.252,978 0.598,979 0.779,980 0.871,981 0.901,982 0.901,983 4.97,984 1.414,985 5.855,986 3.887,987 4.489,988 5.001,989 2.425,990 6.655,991 4.416,992 6.155,993 1.32,994 7.408,995 3.484,996 4.007,997 4.783,998 1.738,999 7.545,1000 3.909,1001 7.454,1002 1.099,1003 9.062,1004 3.087,1005 6.071,1006 7.189,1007 3.327,1008 10.634,1009 5.928,1010 8.79,1011 1.043,1012 10.778,1013 2.72,1014 6.447,1015 7.862,1016 3.296,1017 12.37,1018 6.28,1019 10.163,1020 1,1021 12.532,1022 2.275,1023 7.944,1024 9.727,1025 4.559,1026 14.955,1027 7.741,1028 11.56,1029 0.692,1030 14.313,1031 2.111,1032 8.712,1033 10.819,1034 4.854,1035 17.028,1036 8.487,1037 12.977,1038 0.412,1039 16.112,1040 1.439,1041 9.978,1042 12.466,1043 5.901,1044 19.44,1045 9.722,1046 3.092,1047 -0.112,1048 17.926,1049 0.921,1050 10.929,1051 13.765,1052 6.37,1053 21.653,1054 10.651,1055 3.007,1056 10.36,1057 19.75,1058 -0.248,1059 12.098,1060 15.32,1061 7.287,1062 24.003,1063 11.794,1064 2.754,1065 9.941,1066 21.582,1067 4.504,1068 13.133,1069 16.72,1070 7.856,1071 26.275,1072 12.807,1073 2.367,1074 8.537,1075 23.42,1076 3.839,1077 14.264,1078 18.237,1079 8.696,1080 28.604,1081 13.915,1082 2.096,1083 6.857,1084 25.263,1085 3.175,1086 15.339,1087 19.686,1088 9.324,1089 30.902,1090 14.968,1091 1.966,1092 5.92,1093 27.111,1094 3.051,1095 16.455,1096 21.189,1097 10.117,1098 33.224,1099 16.063,1100 1.49,1101 5.831,1102 28.962,1103 2.672,1104 17.549,1105 22.663,1106 10.781,1107 35.535,1108 17.135,1109 11643,1110 17570,1111 21.671,1112 37.069,1113 47.909,1114 48.583,1115 49.322,1116 47.477,1117 47.507,1118 60.637,1119 8.597,1120 134.742,1121 45.783,1122 5.55,1123 5.742,1124 6.313,1125 5.159,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 12.492,1132 1.497,1133 1.518,1134 1.541,1135 1.484,1136 1.485,1137 1.895,1138 0.269,1139 4.211,1140 1.431,1141 4.132,1142 4.164,1143 4.09,1144 4.045,1145 7.427,1146 4.052,1147 3.971,1148 4.016,1149 3.903,1150 3.879,1151 5.037,1152 3.879,1153 3.767,1154 3.816,1155 3.681,1156 3.581,1157 4.957,1158 3.597,1159 3.573,1160 3.633,1161 3.46,1162 3.424,1163 4.754,1164 3.423,1165 3.442,1166 3.502,1167 3.307,1168 3.206,1169 4.562,1170 3.226,1171 3.277,1172 3.339,1173 3.166,1174 3.067,1175 4.264,1176 3.08,1177 3.17,1178 3.257,1179 2.964,1180 3.022,1181 3.989,1182 2.998,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.896,1188 2.91,1189 0.142,1190 0.117,1191 0.205,1192 0.127,1193 0.097,1194 4.55,1195 0.141,1196 3.742,1197 0.064,1198 6.546,1199 0.324,1200 4.076,1201 0.095,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.94,1208 1.919,1209 2.065,1210 2.072,1211 1.307,1212 2.071,1213 1.933,1214 1.903,1215 2.02,1216 2.023,1217 1.224,1218 2.022,1219 1.714,1220 1.655,1221 1.91,1222 1.903,1223 1.094,1224 1.909,1225 1.648,1226 1.59,1227 1.851,1228 1.845,1229 1.016,1230 1.853,1231 1.353,1232 1.311,1233 1.565,1234 1.63,1235 0.825,1236 1.612,1237 1.266,1238 1.182,1239 1.552,1240 1.539,1241 0.729,1242 1.535,1243 1.208,1244 1.127,1245 1.513,1246 1.418,1247 0.603,1248 1.469,1249 1.153,1250 1.064,1251 1.509,1252 1.376,1253 0.555,1254 1.429,1255 4.174,1257 5.485,1258 2.398,1259 6.995,1260 4.727,1261 8.593,1262 6.823,1263 10.235,1265 2.126,1269 5.686,1271 4.593,1273 5.812,1276 4.238,1280 34.837,1281 83.827,1282 198.972,1283 258.849,1284 289.72,1285 299.72,1286 299.72,1287 45.89,1288 7.718,1289 74.59,1290 74.59,1291 23,1292 12.534,1293 4.17,1294 3.322,1295 45.082,1296 136,1297 124,1298 0.16,1299 213.571,1300 364.78,1301 512.874,1302 26753,1304 20.217,1305 0.697,1306 0.581,1307 20.217,1308 16.857,1309 14.152,1310 0.442,1311 0.318,1312 10.031,1313 13.644,1314 9.787,1315 8.084,1316 14.152,1317 10.167,1318 12.384,1319 0.281,1320 0.171,1321 12.384,1322 7.503,1323 10.765,1324 0.182,1325 0.095,1326 10.765,1327 5.603,1328 8.85,1329 0.118,1330 0.053,1331 8.85,1332 3.961,1333 7.035,1334 0.077,1335 0.029,1336 7.035,1337 2.641,1338 0.259,1339 88.356,1340 0.215,1341 28.12,1342 0.415,1343 152,1344 394.406,1345 165.001,1346 381.117,1347 528.06,1348 360,1349 179,1350 391.119,1351 193.029,1352 395.9,1353 579.97,1354 374,1355 9.097} {0 CHEMBL120272,1 1.591,2 16.242,3 2.893,4 8.37,5 127.863,6 7.284,7 0.444,8 4.226,9 4.353,10 3.767,11 3.709,12 5.329,13 3.695,14 4.781,15 4.96,16 4.102,17 4.113,18 5.901,19 4.074,20 5.055,21 5.281,22 4.146,23 4.261,24 6.043,25 4.189,26 5.101,27 5.316,28 4.053,29 4.26,30 6.142,31 4.162,32 5.108,33 5.362,34 3.919,35 4.181,36 6.082,37 4.041,38 4.998,39 5.278,40 3.78,41 4.049,42 5.81,43 3.905,44 4.882,45 5.142,46 3.801,47 3.912,48 5.853,49 3.824,50 4.798,51 5.02,52 3.744,53 3.835,54 5.94,55 3.777,56 0.157,57 0.932,58 13.349,59 5.384,60 13.896,61 7.419,62 0.392,63 1.47,64 25.393,65 8.959,66 53.636,67 12.735,68 0.492,69 1.757,70 35.583,71 11.841,72 52.657,73 17.006,74 0.528,75 1.747,76 37.42,77 12.857,78 79.941,79 17.958,80 0.775,81 1.667,82 39.318,83 13.242,84 92.656,85 19.202,86 0.507,87 1.501,88 35.512,89 11.486,90 50.584,91 17.459,92 0.493,93 1.312,94 31.689,95 9.454,96 54.263,97 14.072,98 0.687,99 1.177,100 29.348,101 8.312,102 85.523,103 11.428,104 22,105 49,106 0.255,107 0.584,108 0.734,109 0.814,110 0.845,111 0.845,112 3.531,113 0.937,114 -3.37,115 -3.35,116 -3.21,119 38.7,121 3,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 1,162 1,163 1,164 2,169 7,171 2,172 9,176 4,178 6,180 1,181 1,182 13,186 4,189 6,191 1,193 5,197 1,199 4,201 1,202 4,203 4,206 1,207 1,208 1,210 1,211 5,213 1,214 2,215 3,220 1,222 3,224 1,226 6,228 1,229 1,231 2,233 4,235 1,236 2,237 6,242 1,244 5,248 2,249 2,254 1,256 2,258 1,259 2083,260 22.507,261 22.507,262 22.507,263 22.507,264 22.507,265 20.245,266 28.001,267 13.402,268 22.973,269 17.713,270 17.713,271 17.713,272 17.713,273 17.713,274 14.202,275 32.998,276 6.243,277 18.433,278 4.363,279 2.308,280 1.369,281 0.871,282 0.677,283 0.677,284 4.228,288 1,289 1,290 1158,291 4,294 95.803,295 356.201,298 167.053,302 2.599,303 36.375,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 72.5,315 536,316 4.55,317 3.778,318 6.546,319 4.076,320 3.092,321 4.504,322 2.612,323 10.36,324 3.042,325 4.278,326 3.718,327 6.179,328 3.885,329 2.935,330 3.962,331 1.94,332 9.151,333 2.792,334 4.014,335 3.186,336 5.996,337 3.727,338 2.761,339 3.366,340 0.86,341 8.474,342 2.663,343 3.881,344 3.095,345 5.881,346 3.542,347 2.586,348 3.13,349 0.8,350 8.047,351 2.464,352 3.714,353 2.773,354 5.317,355 3.325,356 2.385,357 3.092,358 0.555,359 6.863,360 2.241,361 3.346,362 2.344,363 5.096,364 2.947,365 1.977,366 2.674,368 5.914,369 1.908,370 3.167,371 2.169,372 4.522,373 2.801,374 1.817,375 2.306,377 4.66,378 1.78,379 2.841,380 2.074,381 4.168,382 2.505,383 1.545,384 1.874,386 3.775,387 1.478,388 2.749,389 1.718,390 4.146,391 2.306,392 1.328,393 1.839,395 3.512,396 1.297,397 2.535,398 1.483,399 3.722,400 2.214,401 1.231,402 1.526,404 2.806,405 1.202,406 2.5,407 1.391,408 3.507,409 2.027,410 1.07,411 1.5,413 2.55,414 1.02,415 2.348,416 1.182,417 3.414,418 2,419 1,420 1.302,422 2.275,423 1,424 2.271,425 1.146,426 3.414,427 1.97,428 1,429 1.195,431 2.275,432 0.965,433 2,434 1.016,435 3.313,436 1.967,437 1,438 1,440 2.066,441 0.963,442 1.973,443 1,444 3.035,445 1.612,446 0.653,447 0.843,449 1.339,450 0.623,451 15.333,452 0.465,453 0.712,454 0.022,455 41.25,456 1.25,457 19.5,458 0.591,459 21.75,460 0.659,461 28.339,462 0.859,463 36.867,464 0.595,465 31.768,466 0.963,467 8.157,468 0.247,469 7.889,470 0.239,471 0.091,473 0.307,479 0.622,480 1.363,481 0.797,482 1.129,483 0.552,484 1.01,485 0.802,486 1.192,487 0.921,488 1.061,489 0.465,490 1.008,491 0.967,492 0.972,493 0.972,494 0.976,495 0.667,496 0.965,497 1.15,498 1.14,499 1.17,500 1.199,501 1.136,502 1.197,503 0.741,504 0.957,505 1.007,506 1.079,507 0.911,508 1.104,509 0.623,510 0.995,511 0.876,512 1.015,513 0.402,514 0.997,515 1.03,516 0.962,517 0.902,518 0.945,519 0.679,520 0.901,521 1.749,522 0.793,523 1.207,524 0.836,525 1.811,526 0.916,527 6,528 0.219,529 4.222,530 1.854,531 1.258,532 0.979,533 0.682,534 0.405,535 0.224,536 0.215,537 19023,538 53085,539 2.079,540 46.8,542 19,543 1,545 3,546 2,547 4,550 1.743,551 1.96,552 3.944,553 0.862,555 1,559 98.63,560 1.591,561 3.647,562 4.585,563 5.083,564 5.277,565 5.277,566 3.415,567 4.681,568 5.016,569 4.158,570 2195.31,571 8.733,572 36328.4,574 1,577 369.16,578 1.35,579 4.982,580 0.167,581 0.008,582 0.086,583 0.037,584 0.029,585 0.027,586 0.021,587 0.012,588 0.007,589 0.008,590 0.403,591 0.33,592 1,593 0.92,594 181.856,595 0.093,596 -0.079,597 0.056,598 -0.008,599 -0.006,600 0.01,601 0.03,602 -0.033,603 -0.008,604 -0.011,605 0.138,606 -0.011,607 -0.098,608 0.072,609 -0.019,610 0.032,612 0.03,613 -0.163,614 -0.143,615 -0.209,616 -0.172,617 -0.117,618 -0.196,619 0.133,620 -0.032,621 -0.03,622 -0.077,623 -0.021,624 -0.091,625 0.089,626 -0.08,627 0.096,628 -0.031,629 0.063,630 0.023,631 -0.026,632 -0.035,633 0.107,634 0.01,635 0.063,636 0.078,637 -0.269,638 0.145,639 -0.152,640 0.102,641 -0.232,642 0.011,643 2.401,644 5.59,645 0.636,646 42.367,647 1.007,648 1.134,649 2.136,650 4.564,651 0.645,652 3.611,653 3.912,654 4.174,655 4.382,656 4.575,657 4.654,658 4.762,659 4.727,660 4.71,661 4.828,662 9.38,663 0.618,664 451.58,665 3.611,666 5.142,667 5.984,668 6.845,669 7.703,670 8.569,671 9.433,672 10.301,673 11.168,674 12.038,675 8.1,676 1,681 1,682 1,683 1,686 1,687 2,688 8,690 1,693 4,695 16,708 1,709 1,712 1,714 62,716 19,717 2,718 36,720 65,721 24,722 14,723 5,724 7,730 4,731 5,736 1,743 3,745 15,746 9,750 3,752 1,755 3,759 1,761 1,764 29,765 7,766 3,767 9,773 5,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 33,828 1,833 9,835 1,838 2,847 6.5,850 1,852 1,853 2,854 16.833,855 10.767,856 7.389,857 3.804,858 3.056,859 1.384,860 0.981,861 7.728,862 11.012,863 3.871,864 4.44,865 4.983,866 5.514,867 5.988,868 6.268,869 6.596,870 6.748,871 6.615,872 6.78,873 0.909,874 50,875 12.233,877 5.194,878 7.869,879 23.35,881 19.203,883 2.369,884 78.167,887 1,888 306.049,889 121.47,890 61.601,892 86.892,895 121.47,896 392.94,897 61.601,898 5.67,899 58.746,900 75.381,901 29.85,902 47.425,903 13.915,904 294.278,905 50.747,906 306.049,907 183.071,908 86.892,911 258.964,912 83.229,913 50.747,915 75.532,916 101.87,917 5.67,919 306.049,920 148.493,921 121.47,924 306.049,925 46.089,926 87.3,927 16.786,928 119.789,929 306.049,930 148.493,931 121.47,933 0.574,934 0.337,935 0.175,936 0.093,937 22,938 10,939 0.138,940 9,941 1,942 1.095,943 4.613,944 284.002,945 0.095,946 21,947 156.465,951 23.394,952 10.902,953 5.783,954 2.189,955 126.038,956 14.495,958 3.247,961 2.999,963 49.683,964 576.012,965 47,967 -0.401,970 34.204,974 0.133,975 62.421,976 70.312,977 0.267,978 0.612,979 0.77,980 0.854,981 0.886,982 0.886,983 5.1,984 1.545,985 5.953,986 4.66,987 4.595,988 5.127,989 3.06,990 6.735,991 4.522,992 6.286,993 1.328,994 7.497,995 3.775,996 4.111,997 4.966,998 2.727,999 7.594,1000 4.001,1001 7.586,1002 1.231,1003 9.141,1004 3.512,1005 6.163,1006 7.316,1007 4.427,1008 10.654,1009 6.017,1010 8.923,1011 1.07,1012 10.845,1013 2.806,1014 6.524,1015 8.026,1016 4.726,1017 12.348,1018 6.344,1019 10.294,1020 1,1021 12.586,1022 2.55,1023 8.013,1024 9.849,1025 6.099,1026 14.901,1027 7.803,1028 11.689,1029 1,1030 14.352,1031 2.275,1032 8.757,1033 10.955,1034 6.68,1035 16.933,1036 8.519,1037 13.102,1038 1,1039 16.135,1040 2.275,1041 10.015,1042 12.576,1043 7.88,1044 19.315,1045 9.75,1046 3.092,1047 0.653,1048 17.932,1049 2.066,1050 10.941,1051 13.875,1052 8.617,1053 21.496,1054 10.653,1055 2.935,1056 10.36,1057 19.738,1058 1.339,1059 12.1,1060 15.413,1061 9.718,1062 23.82,1063 11.788,1064 2.761,1065 9.151,1066 21.552,1067 4.504,1068 13.114,1069 16.809,1070 10.547,1071 26.07,1072 12.782,1073 2.586,1074 8.474,1075 23.371,1076 3.962,1077 14.234,1078 18.315,1079 11.591,1080 28.38,1081 13.88,1082 2.385,1083 8.047,1084 25.196,1085 3.366,1086 15.291,1087 19.759,1088 12.473,1089 30.663,1090 14.919,1091 1.977,1092 6.863,1093 27.025,1094 3.13,1095 16.396,1096 21.254,1097 13.483,1098 32.973,1099 16.005,1100 1.817,1101 5.914,1102 28.858,1103 3.092,1104 17.475,1105 22.723,1106 14.398,1107 35.274,1108 17.067,1109 18002,1110 30279,1111 24.156,1112 39.983,1113 53.611,1114 55.608,1115 55.104,1116 53.389,1117 53.379,1118 68.938,1119 13.537,1120 149.502,1121 51.453,1122 5.55,1123 5.778,1124 6.313,1125 5.146,1126 5.092,1127 7.504,1128 4.612,1129 17.015,1130 5.042,1131 16.314,1132 1.489,1133 1.545,1134 1.531,1135 1.483,1136 1.483,1137 1.915,1138 0.376,1139 4.153,1140 1.429,1141 4.133,1142 4.165,1143 4.091,1144 4.045,1145 7.815,1146 4.053,1147 4.009,1148 4.046,1149 3.964,1150 3.875,1151 7.427,1152 3.885,1153 3.825,1154 3.876,1155 3.744,1156 3.623,1157 6.999,1158 3.639,1159 3.644,1160 3.695,1161 3.541,1162 3.459,1163 5.037,1164 3.463,1165 3.545,1166 3.614,1167 3.448,1168 3.388,1169 4.958,1170 3.381,1171 3.446,1172 3.483,1173 3.339,1174 3.119,1175 4.71,1176 3.151,1177 3.338,1178 3.401,1179 3.213,1180 3.036,1181 4.581,1182 3.105,1183 3.137,1184 3.206,1185 3.011,1186 2.941,1187 4.254,1188 2.91,1189 0.126,1190 0.105,1191 0.182,1192 0.113,1193 0.086,1194 4.55,1195 0.125,1196 3.778,1197 0.073,1198 6.546,1199 0.288,1200 4.076,1201 0.085,1202 3.092,1203 4.504,1204 2.612,1205 10.36,1206 3.042,1207 1.938,1208 1.919,1209 2.05,1210 2.107,1211 1.309,1212 2.083,1213 1.934,1214 1.902,1215 2.023,1216 2.029,1217 1.23,1218 2.026,1219 1.748,1220 1.694,1221 1.928,1222 1.979,1223 1.181,1224 1.953,1225 1.65,1226 1.591,1227 1.856,1228 1.846,1229 1.041,1230 1.855,1231 1.584,1232 1.522,1233 1.828,1234 1.802,1235 1.011,1236 1.809,1237 1.286,1238 1.206,1239 1.523,1240 1.624,1241 0.825,1242 1.568,1243 1.198,1244 1.159,1245 1.513,1246 1.568,1247 0.562,1248 1.528,1249 1.153,1250 1.064,1251 1.367,1252 1.386,1253 0.546,1254 1.429,1255 4.29,1257 5.595,1258 2.398,1259 7.091,1260 4.727,1261 8.672,1262 6.823,1263 10.298,1269 5.683,1271 5.707,1273 5.884,1276 4.027,1280 38.288,1281 98.63,1282 226.086,1283 284.289,1284 315.16,1285 327.16,1286 327.16,1287 68.331,1288 7.956,1289 120.41,1290 120.41,1291 23,1292 12.582,1293 4.322,1294 3.585,1295 55.004,1296 189,1297 166,1298 0.138,1299 235.023,1300 408.02,1301 565.216,1302 38891,1304 23.209,1305 0.703,1306 0.562,1307 23.209,1308 18.535,1309 16.046,1310 0.446,1311 0.312,1312 11.07,1313 15.278,1314 10.905,1315 8.961,1316 16.046,1317 11.25,1318 14.085,1319 0.287,1320 0.166,1321 14.085,1322 8.153,1323 11.899,1324 0.186,1325 0.094,1326 11.899,1327 6.014,1328 9.532,1329 0.121,1330 0.053,1331 9.532,1332 4.18,1333 7.43,1334 0.077,1335 0.029,1336 7.43,1337 2.811,1338 0.229,1339 101.618,1340 0.203,1341 31.849,1342 0.345,1343 170,1344 525.523,1345 189.178,1346 498.6,1347 668.92,1348 464,1349 198,1350 489.484,1351 217.183,1352 484.724,1353 702.95,1354 457,1355 8.611} {0 CHEMBL1203216,1 1.685,2 16.257,3 2.142,4 4.587,5 138.665,6 7.473,7 0.421,8 4.304,9 4.428,10 3.991,11 3.785,12 5.338,13 3.759,14 4.874,15 5.061,16 4.286,17 4.184,18 6.049,19 4.137,20 5.11,21 5.308,22 4.314,23 4.363,24 6.191,25 4.276,26 5.229,27 5.45,28 4.203,29 4.366,30 6.294,31 4.255,32 5.191,33 5.441,34 4.119,35 4.261,36 6.211,37 4.144,38 5.05,39 5.297,40 3.968,41 4.128,42 6.027,43 4.024,44 4.907,45 5.149,46 3.945,47 4.068,48 5.887,49 3.946,50 4.911,51 5.153,52 3.981,53 4.033,54 5.908,55 3.916,56 0.14,57 1.05,58 17.985,59 5.748,60 21.017,61 7.93,62 0.69,63 1.623,64 30.87,65 9.702,66 67.144,67 13.437,68 0.657,69 1.927,70 42.966,71 13.735,72 67.558,73 18.078,74 0.703,75 1.956,76 46.079,77 14.826,78 107.206,79 20.087,80 0.73,81 1.797,82 45.386,83 14.483,84 91.069,85 20.184,86 0.683,87 1.594,88 38.087,89 11.28,90 70.123,91 16.5,92 0.502,93 1.471,94 32.186,95 10.806,96 47.467,97 15.452,98 0.459,99 1.434,100 36.498,101 11.463,102 58.188,103 15.437,104 46,105 54,106 0.266,107 0.586,108 0.735,109 0.798,110 0.826,111 0.826,112 3.588,113 1.024,114 -2.42,115 -2.45,116 -2.4,119 35.8,121 1,124 2,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 1,162 1,163 1,169 6,171 4,172 4,174 3,176 6,178 6,180 1,181 3,182 4,186 6,189 6,191 1,193 7,197 1,199 2,201 1,202 1,203 13,206 2,207 1,208 1,210 1,211 1,213 1,214 1,215 6,220 1,224 1,225 3,226 4,228 1,229 1,231 1,235 1,237 8,240 3,249 4,259 2410,260 23.272,261 23.272,262 23.272,263 23.272,264 23.272,265 20.998,266 29.433,267 13.508,268 23.735,269 18.667,270 18.667,271 18.667,272 18.667,273 18.667,274 14.983,275 34.98,276 6.279,277 19.406,278 4.381,279 2.354,280 1.409,281 1.008,282 0.829,283 0.829,284 4.279,289 1,290 1215,291 4.583,294 103.008,295 377.221,298 179.235,302 2.722,303 41.145,306 0.75,307 0.67,308 0.67,309 0.9,310 0.5,311 0.83,312 1,313 0.76,314 77,315 569,316 4.787,317 3.741,318 7.224,319 4.338,320 3.352,321 4.56,322 2.055,323 12.052,324 3.307,325 4.55,326 3.415,327 6.546,328 4.076,329 3.092,330 4.504,331 0.933,332 10.36,333 3.043,334 4.138,335 3.183,336 6.17,337 3.862,338 2.917,339 3.673,340 0.8,341 9.128,342 2.756,343 3.944,344 3.103,345 5.989,346 3.671,347 2.709,348 3.176,349 0.51,350 8.46,351 2.6,352 3.699,353 2.742,354 5.33,355 3.32,356 2.373,357 3.057,358 0.4,359 6.858,360 2.246,361 3.604,362 2.502,363 5.314,364 3.266,365 2.305,366 2.875,368 6.774,369 2.208,370 3.344,371 2.262,372 5.096,373 2.94,374 1.971,375 2.672,377 5.915,378 1.9,379 2.93,380 2.154,381 4.491,382 2.663,383 1.683,384 1.972,386 4.506,387 1.639,388 2.743,389 1.677,390 4.243,391 2.312,392 1.369,393 1.844,395 3.59,396 1.297,397 2.524,398 1.512,399 4.161,400 2.293,401 1.323,402 1.5,404 3.4,405 1.27,406 2.5,407 1.475,408 4.058,409 2.174,410 1.23,411 1.488,413 3.141,414 1.154,415 2.427,416 1.379,417 3.414,418 2.015,419 1.062,420 1.395,422 2.275,423 1.008,424 2.325,425 1.146,426 3.414,427 2,428 1,429 1.278,431 2.275,432 1,433 2.003,434 1.132,435 3.339,436 1.967,437 1,438 1,440 2.114,441 0.965,442 2,443 1,444 3.105,445 1.645,446 0.694,447 0.884,449 1.443,450 0.655,451 16.567,452 0.473,453 0.995,454 0.028,455 43.25,456 1.236,457 20,458 0.571,459 23.25,460 0.664,461 31.282,462 0.894,463 39.833,464 0.595,465 36.536,466 1.044,467 8.598,468 0.246,469 8.165,470 0.233,471 0.145,472 0.05,473 0.284,479 0.717,480 1.623,481 0.842,482 1.36,483 0.69,484 1.056,485 0.832,486 0.999,487 0.891,488 0.866,489 0.552,490 0.87,491 1.023,492 1.102,493 1.234,494 1.197,495 0.879,496 1.085,497 1.295,498 1.069,499 1.092,500 1.069,501 1.424,502 1.129,503 0.975,504 0.964,505 0.874,506 0.972,507 0.95,508 0.986,509 1.187,510 0.954,511 0.884,512 0.856,513 0.959,514 0.972,515 0.694,516 1.038,517 0.841,518 0.999,519 0.626,520 1.075,521 0.856,522 1.097,523 1.025,524 1.162,525 0.862,526 1.013,527 8.5,528 0.16,529 5.111,530 1.979,531 1.698,532 1.222,533 0.782,534 0.501,535 0.456,536 0.318,537 21153,538 58931,539 2.034,540 47.8,542 25,543 1,545 4,547 2,550 1.759,551 1.883,552 3.935,553 1.576,559 112.879,560 1.685,561 3.712,562 4.657,563 5.058,564 5.238,565 5.238,566 3.435,567 4.651,568 5.1,569 4.172,570 2482.42,571 8.908,572 42223.2,577 406.428,578 1.592,579 5.043,580 0.224,581 0.005,582 0.095,583 0.036,584 0.036,585 0.028,586 0.021,587 0.014,588 0.012,589 0.009,590 0.479,591 0.17,592 0.75,593 1.201,594 195.344,595 0.027,596 -0.297,597 0.197,598 -0.147,599 -0.13,600 -0.006,601 0.162,602 0.176,603 0.066,604 0.138,605 0.195,606 0.096,607 -0.049,608 0.006,609 -0.157,610 -0.088,611 0.008,612 -0.077,613 -0.204,614 -0.092,615 -0.164,616 -0.095,617 -0.174,618 -0.143,619 0.023,620 -0.057,621 0.037,622 -0.03,623 0.001,624 0.008,625 -0.134,626 -0.022,627 -0.038,628 0.02,629 -0.099,630 -0.009,631 0.096,632 -0.043,633 0.021,634 -0.057,635 0.037,636 -0.075,637 0.063,638 -0.121,639 0.053,640 -0.094,641 0.045,642 0.003,643 4.454,644 5.721,645 0.6,646 48.122,647 1.007,648 1.136,649 1.188,650 1.412,651 0.648,652 3.664,653 4.007,654 4.248,655 4.431,656 4.644,657 4.71,658 4.852,659 4.942,660 4.956,661 5.024,662 9.48,663 0.612,664 500.69,665 3.664,666 5.22,667 6.066,668 6.942,669 7.805,670 8.682,671 9.55,672 10.426,673 11.297,674 12.174,675 9,676 1,678 1,680 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 67,716 19,717 2,718 38,720 70,721 24,722 14,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 9,750 3,753 1,755 3,759 1,764 32,765 9,766 4,767 11,768 1,773 6,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,821 1,823 2,827 35,828 1,830 1,833 7,834 1,835 1,838 3,847 6,850 3,852 1,854 18.583,855 12.183,856 7.653,857 3.781,858 3.104,859 1.38,860 0.989,861 8.113,862 11.273,863 3.912,864 4.519,865 5.01,866 5.52,867 6.014,868 6.266,869 6.636,870 6.955,871 6.854,872 6.949,873 0.909,874 55,875 13.187,877 5.78,878 7.86,879 24.808,881 20.466,883 2.36,884 82.583,888 329.591,889 138.763,890 73.855,892 80.458,894 5.569,895 133.194,896 410.049,897 73.855,898 16.793,899 53.677,900 80.95,901 90.568,902 48.944,903 13.915,904 317.82,906 329.591,907 207.048,908 80.458,909 5.569,911 306.049,912 104,915 71.981,916 118.662,917 21.974,919 329.591,920 154.313,921 138.763,923 5.569,924 329.591,925 41.02,926 99.941,927 33.191,928 113.355,929 329.591,930 154.313,931 138.763,933 0.589,934 0.343,935 0.165,936 0.09,937 25,938 12,939 0.129,940 9,941 1,942 1.095,943 4.648,944 314.029,945 0.095,946 21,947 165.525,950 1,951 25.633,952 11.078,953 6.218,954 2.084,955 137.527,956 14.952,958 3.229,961 3.279,963 66.088,964 622.666,965 49,968 -3.537,970 36.656,974 -0.047,975 67.483,976 76.145,977 0.278,978 0.612,979 0.768,980 0.834,981 0.863,982 0.863,983 5.17,984 1.683,985 6.084,986 5.915,987 4.691,988 5.207,989 2.452,990 6.919,991 4.619,992 6.395,993 1.369,994 7.673,995 4.506,996 4.443,997 5.286,998 1.738,999 8.059,1000 4.358,1001 7.738,1002 1.323,1003 9.37,1004 3.59,1005 6.358,1006 7.492,1007 3.329,1008 11.056,1009 6.228,1010 9.122,1011 1.23,1012 11.133,1013 3.4,1014 6.919,1015 8.396,1016 3.296,1017 13.014,1018 6.784,1019 10.544,1020 1.062,1021 12.94,1022 3.141,1023 8.345,1024 10.147,1025 4.559,1026 15.597,1027 8.176,1028 11.99,1029 1,1030 14.777,1031 2.275,1032 9.247,1033 11.39,1034 4.854,1035 17.861,1036 9.074,1037 13.455,1038 1,1039 16.637,1040 2.275,1041 10.499,1042 12.986,1043 5.901,1044 20.338,1045 10.303,1046 3.352,1047 0.694,1048 18.514,1049 2.114,1050 11.551,1051 14.377,1052 6.37,1053 22.721,1054 11.349,1055 3.092,1056 12.052,1057 20.406,1058 1.443,1059 12.743,1060 15.917,1061 7.287,1062 25.177,1063 12.525,1064 2.917,1065 10.36,1066 22.309,1067 4.56,1068 13.862,1069 17.372,1070 7.856,1071 27.61,1072 13.636,1073 2.709,1074 9.128,1075 24.222,1076 4.504,1077 15.038,1078 18.891,1079 8.696,1080 30.068,1081 14.799,1082 2.373,1083 8.46,1084 26.143,1085 3.673,1086 16.188,1087 20.376,1088 9.324,1089 32.523,1090 15.942,1091 2.305,1092 6.858,1093 28.071,1094 3.176,1095 17.362,1096 21.888,1097 10.117,1098 34.989,1099 17.105,1100 1.971,1101 6.774,1102 30.005,1103 3.057,1104 18.529,1105 23.387,1106 10.781,1107 37.456,1108 18.263,1109 20267,1110 34003,1111 24.849,1112 43.398,1113 57.28,1114 58.388,1115 59.1,1116 57.031,1117 57.062,1118 72.854,1119 9.397,1120 166.629,1121 54.925,1122 5.787,1123 5.741,1124 6.99,1125 5.422,1126 5.352,1127 7.56,1128 3.661,1129 18.924,1130 5.307,1131 20.553,1132 1.507,1133 1.537,1134 1.555,1135 1.501,1136 1.502,1137 1.917,1138 0.247,1139 4.385,1140 1.445,1141 4.135,1142 4.166,1143 4.721,1144 4.047,1145 7.717,1146 4.053,1147 4.033,1148 4.047,1149 4.09,1150 3.948,1151 7.427,1152 3.9,1153 3.884,1154 3.907,1155 3.876,1156 3.765,1157 6.999,1158 3.693,1159 3.735,1160 3.768,1161 3.673,1162 3.569,1163 5.037,1164 3.576,1165 3.572,1166 3.633,1167 3.46,1168 3.424,1169 4.957,1170 3.422,1171 3.441,1172 3.501,1173 3.309,1174 3.204,1175 4.755,1176 3.224,1177 3.285,1178 3.352,1179 3.17,1180 3.069,1181 4.562,1182 3.082,1183 3.232,1184 3.292,1185 3.092,1186 3.001,1187 4.271,1188 2.973,1189 0.126,1190 0.098,1191 0.19,1192 0.114,1193 0.088,1194 4.787,1195 0.12,1196 3.741,1197 0.054,1198 7.224,1199 0.317,1200 4.338,1201 0.087,1202 3.352,1203 4.56,1204 2.055,1205 12.052,1206 3.307,1207 1.938,1208 1.919,1209 2.041,1210 2.075,1211 1.299,1212 2.077,1213 1.93,1214 1.904,1215 2.019,1216 2.024,1217 1.224,1218 2.023,1219 1.739,1220 1.711,1221 1.892,1222 1.95,1223 1.074,1224 1.968,1225 1.649,1226 1.617,1227 1.85,1228 1.846,1229 1.017,1230 1.855,1231 1.636,1232 1.589,1233 1.756,1234 1.828,1235 0.925,1236 1.845,1237 1.353,1238 1.31,1239 1.564,1240 1.63,1241 0.825,1242 1.612,1243 1.266,1244 1.182,1245 1.513,1246 1.54,1247 0.728,1248 1.537,1249 1.153,1250 1.097,1251 1.508,1252 1.413,1253 0.555,1254 1.452,1255 4.344,1257 5.68,1258 2.398,1259 7.203,1260 4.727,1261 8.803,1262 6.823,1263 10.442,1265 2.949,1269 5.69,1271 3.897,1272 2.52,1273 5.803,1276 5.108,1280 41.023,1281 112.879,1282 248.728,1283 312.047,1284 338.918,1285 350.918,1286 350.918,1287 78.99,1288 8.169,1289 124,1290 132.38,1291 23,1292 12.713,1293 4.322,1294 3.585,1295 60.108,1296 202,1297 181,1298 0.143,1299 255.876,1300 440.17,1301 616.096,1302 48298,1304 25.001,1305 0.714,1306 0.596,1307 25.251,1308 20.845,1309 16.763,1310 0.441,1311 0.341,1312 11.435,1313 15.164,1314 11.02,1315 9.13,1316 17.584,1317 12.966,1318 15.587,1319 0.289,1320 0.195,1321 16.972,1322 10.537,1323 12.917,1324 0.187,1325 0.11,1326 14.106,1327 7.562,1328 9.692,1329 0.117,1330 0.056,1331 10.284,1332 4.657,1333 7.87,1334 0.076,1335 0.031,1336 8.359,1337 3.194,1338 0.235,1339 114.336,1340 0.201,1341 33.195,1342 0.361,1343 184,1344 556.716,1345 242.268,1346 551.128,1347 744.36,1348 510,1349 215,1350 515.799,1351 280.418,1352 558.222,1353 810.03,1354 521,1355 8.721} {0 CHEMBL120480,1 1.665,2 14.853,3 1.755,4 3.081,5 133.124,6 7.472,7 0.432,8 4.271,9 4.391,10 3.956,11 3.785,12 5.294,13 3.748,14 4.842,15 5.018,16 4.204,17 4.17,18 6.022,19 4.12,20 5.1,21 5.311,22 4.205,23 4.319,24 6.133,25 4.234,26 5.135,27 5.35,28 4.177,29 4.35,30 6.104,31 4.236,32 5.208,33 5.456,34 4.208,35 4.322,36 6.169,37 4.195,38 5.161,39 5.409,40 4.15,41 4.247,42 6.167,43 4.126,44 5.049,45 5.289,46 4.056,47 4.173,48 6.079,49 4.051,50 4.999,51 5.229,52 3.955,53 4.074,54 6.084,55 3.962,56 0.122,57 1.003,58 17.176,59 6.066,60 20.689,61 7.892,62 0.528,63 1.571,64 30.898,65 10.081,66 67.387,67 13.515,68 0.736,69 1.851,70 39.395,71 12.865,72 83.189,73 17.556,74 0.45,75 1.904,76 38.882,77 14.23,78 64.086,79 19.497,80 0.622,81 1.934,82 45.983,83 15.041,84 74.609,85 20.998,86 0.768,87 1.821,88 45.386,89 13.726,90 79.097,91 18.843,92 0.582,93 1.659,94 42.293,95 13.023,96 72.728,97 17.268,98 0.587,99 1.499,100 39.545,101 12.282,102 90.875,103 16.301,104 35,105 52,106 0.264,107 0.589,108 0.766,109 0.841,110 0.866,111 0.866,112 3.56,113 1.071,114 -1.66,115 -1.73,116 -1.76,119 36.9,121 1,124 1,125 7,140 7,141 3,142 2,149 1,150 1,156 1,161 1,162 1,163 1,169 8,171 2,172 4,174 2,176 5,178 8,180 1,181 3,182 4,186 5,189 6,191 1,193 4,195 1,197 3,199 2,201 1,202 1,203 9,206 1,207 1,208 2,210 1,211 1,213 1,214 3,215 10,220 1,224 1,226 7,228 1,229 2,231 1,235 1,237 8,240 2,248 2,249 5,252 1,259 2168,260 22.748,261 22.748,262 22.748,263 22.748,264 22.748,265 20.385,266 25.508,267 13.405,268 23.234,269 18.234,270 18.234,271 18.234,272 18.234,273 18.234,274 14.471,275 31.167,276 6.278,277 19.035,278 4.357,279 2.307,280 1.194,281 0.719,282 0.565,283 0.565,284 4.254,289 1,290 1081,291 4.359,294 93.872,295 346.38,298 162.898,302 2.349,303 39.389,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 74.5,315 505,316 4.625,317 4.307,318 6.546,319 4.076,320 3.12,321 4.504,322 2.055,323 10.36,324 3.043,325 4.55,326 3.742,327 6.512,328 4.06,329 3.092,330 4.425,331 0.933,332 10.225,333 2.94,334 4.292,335 3.248,336 6.385,337 3.955,338 3.006,339 3.861,340 0.8,341 9.919,342 2.827,343 3.952,344 3.182,345 6.02,346 3.721,347 2.76,348 3.175,349 0.522,350 8.549,351 2.641,352 3.696,353 2.746,354 5.317,355 3.312,356 2.369,357 3.051,358 0.51,359 6.859,360 2.233,361 3.351,362 2.563,363 5.22,364 3.104,365 2.141,366 2.672,368 6.299,369 2.051,370 3.324,371 2.183,372 5.096,373 2.936,374 1.967,375 2.454,377 5.913,378 1.895,379 2.923,380 2.143,381 4.272,382 2.519,383 1.534,384 2.091,386 3.988,387 1.507,388 2.774,389 1.652,390 4.152,391 2.453,392 1.471,393 1.857,395 3.506,396 1.436,397 2.73,398 1.476,399 3.971,400 2.301,401 1.32,402 1.776,404 3.312,405 1.293,406 2.374,407 1.379,408 3.601,409 2.055,410 1.1,411 1.342,413 2.721,414 1.046,415 2.319,416 1.218,417 3.414,418 2.004,419 1.043,420 1.267,422 2.275,423 0.998,424 2.004,425 1.146,426 3.338,427 1.967,428 1,429 1,431 2.111,432 0.965,433 2,434 1.132,435 3.308,436 1.648,437 0.697,438 0.885,440 1.553,441 0.658,442 1.859,443 1.082,444 3.098,445 1.6,446 0.655,447 0.758,449 1.431,450 0.616,451 16.167,452 0.475,453 0.921,454 0.027,455 41.75,456 1.228,457 19.5,458 0.574,459 22.25,460 0.654,461 31.129,462 0.916,463 38.433,464 0.591,465 34.061,466 1.002,467 8.218,468 0.242,469 8.118,470 0.239,471 0.118,472 0.052,473 0.266,479 0.706,480 1.477,481 0.857,482 1.277,483 0.683,484 1.025,485 0.868,486 1.154,487 1.064,488 1.081,489 0.548,490 0.973,491 1.125,492 0.929,493 1.012,494 0.905,495 1.071,496 0.99,497 0.936,498 1.148,499 0.934,500 1.087,501 0.914,502 1.183,503 0.843,504 1.051,505 0.856,506 1.009,507 0.708,508 1.017,509 1.103,510 0.956,511 0.986,512 0.922,513 0.879,514 0.95,515 1.065,516 0.974,517 1.154,518 1.093,519 1.035,520 1.006,521 1.228,522 1.077,523 1.102,524 1.147,525 1.482,526 1.069,527 7.5,528 0.172,529 4.222,530 1.979,531 1.538,532 1.25,533 0.866,534 0.619,535 0.374,536 0.27,537 18654,538 51960,539 2.052,540 47.7,542 24,543 1,545 4,547 2,550 1.755,551 1.915,552 3.811,553 1.575,559 108.225,560 1.665,561 3.715,562 4.828,563 5.303,564 5.457,565 5.457,566 3.242,567 4.69,568 5.059,569 4.04,570 2266.71,571 8.843,572 36797.6,577 391.454,578 1.533,579 5.01,580 0.203,581 0.006,582 0.081,583 0.039,584 0.033,585 0.027,586 0.02,587 0.015,588 0.01,589 0.009,590 0.444,591 0.17,592 0.88,593 1.187,594 186.348,595 0.018,596 -0.175,597 0.183,598 -0.072,599 -0.125,600 0.022,601 0.085,602 0.015,603 -0.067,604 -0.028,605 0.197,606 0.012,607 -0.093,608 0.112,609 -0.124,610 0.038,611 -0.104,612 -0.022,613 -0.088,614 -0.14,615 -0.112,616 -0.141,617 -0.096,618 -0.182,619 0.047,620 -0.107,621 0.069,622 -0.051,623 0.028,624 -0.02,625 -0.042,626 0.001,627 0.008,628 0.034,629 -0.005,630 0.017,631 -0.065,632 0.018,633 -0.067,634 -0.05,635 -0.021,636 -0.015,637 -0.065,638 -0.149,639 -0.074,640 -0.138,641 -0.107,642 -0.08,643 4.193,644 5.76,645 0.618,646 41.457,647 1.006,648 1.133,649 0.433,650 0.187,651 0.652,652 3.638,653 3.97,654 4.19,655 4.431,656 4.654,657 4.718,658 4.844,659 4.905,660 4.905,661 4.963,662 8.733,663 0.615,664 485.67,665 3.638,666 5.187,667 6.023,668 6.903,669 7.758,670 8.64,671 9.504,672 10.385,673 11.253,674 12.135,675 7.7,676 1,677 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 65,716 19,717 2,718 37,720 68,721 24,722 14,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 9,750 3,753 1,755 3,759 1,764 31,765 8,766 4,767 10,768 1,773 5,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,821 1,823 1,827 34,828 1,830 1,833 8,834 1,835 1,838 2,847 6.2,850 3,852 1,854 17.75,855 11.483,856 7.431,857 3.708,858 3.268,859 1.403,860 0.995,861 7.91,862 11.373,863 3.892,864 4.497,865 4.958,866 5.502,867 5.993,868 6.233,869 6.573,870 6.876,871 6.837,872 6.906,873 0.9,874 51,875 12.786,877 5.588,878 7.855,879 24.21,881 20.13,883 2.355,884 80.083,888 317.82,889 131.933,890 72.336,892 80.458,894 5.807,895 126.126,896 398.278,897 72.336,898 7.19,899 55.783,900 97.594,901 74.163,902 47.854,903 13.915,904 306.049,906 317.82,907 198.462,908 80.458,909 5.807,911 294.278,912 104,915 88.973,916 109.489,917 5.807,919 317.82,920 152.794,921 131.933,923 5.807,924 317.82,925 43.554,926 88.82,927 33.191,928 113.355,929 317.82,930 152.794,931 131.933,933 0.582,934 0.322,935 0.171,936 0.098,937 24,938 11,939 0.132,940 9,941 1,942 1.095,943 4.542,944 305.306,945 0.095,946 21,947 164.974,950 1,951 24.701,952 10.888,953 6.387,954 2.082,955 136.009,956 15.441,958 3.229,961 3.683,963 66.088,964 602.547,965 48,968 -3.276,970 35.727,974 -0.053,975 65.381,976 73.647,977 0.276,978 0.617,979 0.802,980 0.881,981 0.906,982 0.906,983 5.142,984 1.534,985 6.033,986 5.913,987 4.654,988 5.185,989 2.472,990 6.851,991 4.57,992 6.363,993 1.471,994 7.601,995 3.988,996 4.369,997 5.255,998 1.738,999 7.928,1000 4.226,1001 7.702,1002 1.32,1003 9.274,1004 3.506,1005 6.301,1006 7.468,1007 3.333,1008 10.9,1009 6.13,1010 9.08,1011 1.1,1012 11.008,1013 3.312,1014 6.815,1015 8.357,1016 3.296,1017 12.746,1018 6.583,1019 10.493,1020 1.043,1021 12.78,1022 2.721,1023 8.245,1024 10.108,1025 4.559,1026 15.279,1027 7.985,1028 11.929,1029 1,1030 14.576,1031 2.275,1032 9.096,1033 11.332,1034 4.854,1035 17.408,1036 8.782,1037 13.382,1038 0.697,1039 16.388,1040 2.111,1041 10.336,1042 12.922,1043 5.901,1044 19.801,1045 9.99,1046 3.12,1047 0.655,1048 18.212,1049 1.553,1050 11.336,1051 14.292,1052 6.37,1053 22.042,1054 10.942,1055 3.092,1056 10.36,1057 20.045,1058 1.431,1059 12.5,1060 15.82,1061 7.287,1062 24.386,1063 12.073,1064 3.006,1065 10.225,1066 21.884,1067 4.504,1068 13.566,1069 17.254,1070 7.856,1071 26.672,1072 13.095,1073 2.76,1074 9.919,1075 23.728,1076 4.425,1077 14.701,1078 18.759,1079 8.696,1080 29.001,1081 14.195,1082 2.369,1083 8.549,1084 25.577,1085 3.861,1086 15.796,1087 20.224,1088 9.324,1089 31.306,1090 15.25,1091 2.141,1092 6.859,1093 27.428,1094 3.175,1095 16.921,1096 21.72,1097 10.117,1098 33.629,1099 16.34,1100 1.967,1101 6.299,1102 29.283,1103 3.051,1104 18.031,1105 23.199,1106 10.781,1107 35.943,1108 17.411,1109 17847,1110 29947,1111 24.444,1112 42.392,1113 55.466,1114 57.546,1115 56.526,1116 55.402,1117 55.371,1118 71.231,1119 9.64,1120 159.871,1121 53.047,1122 5.625,1123 6.307,1124 6.313,1125 5.16,1126 5.12,1127 7.504,1128 3.661,1129 17.135,1130 5.043,1131 18.269,1132 1.499,1133 1.555,1134 1.528,1135 1.497,1136 1.497,1137 1.925,1138 0.261,1139 4.321,1140 1.434,1141 4.134,1142 4.166,1143 4.714,1144 4.047,1145 7.718,1146 4.053,1147 4.019,1148 4.041,1149 4.09,1150 3.957,1151 7.427,1152 3.904,1153 3.899,1154 3.891,1155 3.901,1156 3.833,1157 6.999,1158 3.731,1159 3.76,1160 3.794,1161 3.681,1162 3.58,1163 5.037,1164 3.595,1165 3.572,1166 3.633,1167 3.46,1168 3.424,1169 4.957,1170 3.423,1171 3.442,1172 3.501,1173 3.307,1174 3.205,1175 4.746,1176 3.225,1177 3.277,1178 3.339,1179 3.166,1180 3.067,1181 4.562,1182 3.08,1183 3.164,1184 3.241,1185 3.018,1186 3.008,1187 4.264,1188 2.991,1189 0.125,1190 0.116,1191 0.177,1192 0.11,1193 0.084,1194 4.625,1195 0.122,1196 4.307,1197 0.056,1198 6.546,1199 0.28,1200 4.076,1201 0.082,1202 3.12,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.947,1208 1.92,1209 2.059,1210 2.078,1211 1.313,1212 2.082,1213 1.935,1214 1.915,1215 2.02,1216 2.024,1217 1.225,1218 2.023,1219 1.736,1220 1.745,1221 1.908,1222 1.93,1223 1.143,1224 1.959,1225 1.684,1226 1.65,1227 1.851,1228 1.846,1229 1.017,1230 1.872,1231 1.648,1232 1.59,1233 1.639,1234 1.826,1235 0.958,1236 1.853,1237 1.353,1238 1.311,1239 1.564,1240 1.629,1241 0.825,1242 1.611,1243 1.266,1244 1.182,1245 1.513,1246 1.538,1247 0.729,1248 1.535,1249 1.164,1250 1.094,1251 1.509,1252 1.385,1253 0.626,1254 1.429,1255 4.317,1257 5.645,1258 2.398,1259 7.155,1260 4.727,1261 8.746,1262 6.823,1263 10.379,1265 1.15,1269 5.691,1271 4.054,1272 2.553,1273 5.811,1276 3.991,1280 40.002,1281 108.225,1282 241.482,1283 313.828,1284 344.699,1285 354.699,1286 354.699,1287 75.533,1288 8.106,1289 120.76,1290 129.14,1291 23,1292 12.672,1293 4.322,1294 3.585,1295 57.289,1296 181,1297 171,1298 0.152,1299 249.081,1300 429.17,1301 599.518,1302 44944,1304 24.131,1305 0.71,1306 0.591,1307 24.381,1308 20.105,1309 16.337,1310 0.442,1311 0.357,1312 11.303,1313 14.886,1314 10.879,1315 8.967,1316 17.263,1317 13.211,1318 15.266,1319 0.294,1320 0.198,1321 16.672,1322 10.271,1323 11.82,1324 0.182,1325 0.103,1326 12.267,1327 6.673,1328 9.639,1329 0.116,1330 0.056,1331 9.948,1332 4.638,1333 7.959,1334 0.077,1335 0.032,1336 8.326,1337 3.304,1338 0.248,1339 112.158,1340 0.202,1341 32.119,1342 0.394,1343 178,1344 531.071,1345 226.895,1346 526.747,1347 706.92,1348 488,1349 206,1350 486.63,1351 260.911,1352 521.753,1353 752.22,1354 488,1355 8.745} {0 CHEMBL120514,1 1.45,2 17.061,3 3.165,4 10.014,5 134.441,6 6.613,7 0.444,8 4.295,9 4.437,10 3.754,11 3.789,12 5.299,13 3.752,14 4.859,15 5.058,16 4.076,17 4.193,18 5.78,19 4.122,20 5.147,21 5.393,22 4.109,23 4.341,24 6.016,25 4.232,26 5.181,27 5.424,28 4.005,29 4.338,30 6.051,31 4.198,32 5.192,33 5.466,34 3.907,35 4.263,36 6.02,37 4.097,38 5.096,39 5.381,40 3.774,41 4.144,42 5.862,43 3.984,44 4.969,45 5.24,46 3.728,47 4.053,48 5.859,49 3.899,50 4.929,51 5.211,52 3.618,53 3.999,54 5.739,55 3.833,56 0.079,57 1.008,58 16.193,59 6.074,60 11.655,61 8.885,62 0.269,63 1.595,64 29.374,65 10.189,66 24.001,67 15.221,68 0.42,69 1.912,70 39.974,71 13.407,72 42.109,73 20.009,74 0.386,75 1.902,76 41.223,77 14.468,78 49.719,79 21.203,80 0.532,81 1.818,82 42.099,83 14.619,84 58.02,85 21.58,86 0.412,87 1.647,88 38.404,89 12.449,90 42.486,91 18.936,92 0.536,93 1.483,94 33.816,95 11.018,96 55.874,97 16.759,98 0.32,99 1.396,100 32.229,101 11.066,102 40.259,103 16.505,104 12,105 48,106 0.229,107 0.554,108 0.734,109 0.828,110 0.856,111 0.856,112 3.531,113 0.996,114 -3.17,115 -3.16,116 -3.04,119 38.2,121 5,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 2,162 2,163 2,169 9,171 1,172 7,176 6,178 8,180 3,181 1,182 7,186 6,189 7,191 3,193 4,197 1,199 4,201 1,202 1,203 7,205 1,206 2,207 1,208 1,210 1,211 5,213 1,215 3,220 1,222 5,224 1,225 2,226 3,228 1,229 1,231 2,233 8,235 1,237 3,239 1,240 1,242 1,244 8,249 4,254 2,256 6,258 1,259 2064,260 22.714,261 22.714,262 22.714,263 22.714,264 22.714,265 20.703,266 26.21,267 13.767,268 23.143,269 17.745,270 17.745,271 17.745,272 17.745,273 17.745,274 14.631,275 29.047,276 6.484,277 18.424,278 4.637,279 2.584,280 1.447,281 0.853,282 0.676,283 0.676,284 4.23,289 1,290 1223,291 3.873,294 96.83,295 364.222,298 169.113,302 2.608,303 25.675,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 70.5,315 563,316 4.55,317 3.718,318 6.546,319 4.076,320 3.092,321 4.504,322 1.94,323 10.36,324 3.042,325 4.139,326 3.186,327 6.169,328 3.864,329 2.919,330 3.675,331 0.86,332 9.124,333 2.762,334 3.934,335 3.105,336 5.986,337 3.673,338 2.705,339 3.129,340 0.8,341 8.449,342 2.614,343 3.715,344 2.774,345 5.317,346 3.327,347 2.387,348 3.11,349 0.555,350 6.863,351 2.242,352 3.593,353 2.483,354 5.096,355 3.265,356 2.299,357 2.863,359 6.098,360 2.214,361 3.346,362 2.25,363 5.045,364 2.95,365 1.979,366 2.675,368 5.914,369 1.911,370 2.953,371 2.171,372 4.444,373 2.803,374 1.818,375 1.99,377 4.477,378 1.784,379 2.774,380 1.824,381 4.16,382 2.589,383 1.604,384 1.861,386 3.725,387 1.573,388 2.71,389 1.565,390 4.115,391 2.307,392 1.333,393 1.733,395 3.524,396 1.297,397 2.5,398 1.451,399 3.722,400 2.233,401 1.276,402 1.5,404 3.166,405 1.214,406 2.426,407 1.381,408 3.414,409 2.028,410 1.076,411 1.403,413 2.275,414 1.02,415 2.329,416 1.147,417 3.414,418 2,419 1,420 1.285,422 2.275,423 1,424 2.108,425 1.146,426 3.343,427 1.967,428 1,429 1.036,431 2.196,432 0.965,433 2,434 1,435 3.203,436 1.894,437 0.923,438 1,440 1.939,441 0.886,442 1.946,443 0.843,444 3.021,445 1.593,446 0.632,447 0.811,449 1.295,450 0.605,451 15.667,452 0.475,453 0.623,454 0.019,455 38.25,456 1.159,457 17,458 0.515,459 21.25,460 0.644,461 31.04,462 0.941,463 37.133,464 0.546,465 27.72,466 0.84,467 7.353,468 0.223,469 8.783,470 0.266,471 0.072,473 0.274,479 0.949,480 1.375,481 0.934,482 1.149,483 0.818,484 1.045,485 1.036,486 1.215,487 1.011,488 1.095,489 0.647,490 1.05,491 1.194,492 0.971,493 1.032,494 0.976,495 0.978,496 0.981,497 1.221,498 1.126,499 1.147,500 1.173,501 1.384,502 1.163,503 0.94,504 0.977,505 0.995,506 1.059,507 1.162,508 1.05,509 1.166,510 0.953,511 1.011,512 0.954,513 0.906,514 0.966,515 0.933,516 0.96,517 1.044,518 1.009,519 0.984,520 1.035,521 0.97,522 0.95,523 0.995,524 1.035,525 1.057,526 1.024,527 5.5,528 0.107,529 3.778,530 1.604,531 1.178,532 0.91,533 0.601,534 0.28,535 0.212,536 0.197,537 20095,538 44713,539 2.097,540 51.5,541 4,542 19,543 1,545 5,546 2,547 4,550 1.742,551 2,552 4.01,553 2.281,559 98.601,560 1.45,561 3.503,562 4.641,563 5.235,564 5.411,565 5.411,566 3.487,567 4.62,568 5.019,569 4.213,570 2224.69,571 8.726,572 37802,577 413.947,578 1.241,579 4.992,580 0.153,581 0.004,582 0.079,583 0.033,584 0.029,585 0.025,586 0.019,587 0.009,588 0.008,589 0.008,590 0.367,591 0.17,592 1,593 0.773,594 183.251,595 -0.063,596 -0.076,597 0.044,599 -0.069,600 0.033,601 -0.031,602 -0.051,603 -0.021,604 -0.03,605 0.026,606 -0.023,607 -0.104,608 0.067,609 -0.035,610 0.029,611 -0.051,612 0.011,613 -0.128,614 -0.13,615 -0.16,616 -0.147,617 -0.15,618 -0.157,619 0.092,620 -0.051,621 -0.013,622 -0.067,623 -0.032,624 -0.061,625 -0.098,626 -0.027,627 -0.019,628 0.007,629 -0.046,630 0.004,631 0.138,632 0.006,633 -0.051,634 -0.038,635 0.101,636 -0.061,637 -0.015,638 -0.02,639 -0.018,640 -0.052,641 -0.007,642 -0.037,643 1.404,644 5.572,645 0.636,646 42.656,647 0.991,648 1.134,649 1.938,650 3.755,651 0.638,652 3.611,653 3.892,654 4.143,655 4.357,656 4.554,657 4.595,658 4.663,659 4.654,660 4.625,661 4.644,662 9.787,663 0.595,664 449.66,665 3.611,666 5.13,667 5.964,668 6.817,669 7.668,670 8.528,671 9.387,672 10.251,673 11.113,674 11.98,675 7.4,676 1,679 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,705 1,709 1,712 1,714 68,716 17,717 2,718 36,720 71,721 26,722 14,723 5,724 7,730 4,731 5,736 1,743 5,745 15,746 11,750 1,755 1,759 1,764 35,765 6,766 5,767 7,773 5,777 0.75,778 2,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 33,828 2,833 11,835 1,838 2,847 2.9,850 1,852 1,854 16.5,855 11.567,856 7.444,857 4.271,858 2.798,859 1.356,860 0.992,861 8.399,862 10.654,863 3.829,864 4.366,865 4.912,866 5.447,867 5.924,868 6.135,869 6.423,870 6.674,871 6.514,872 6.57,873 1,874 48,875 12.248,877 5.106,878 7.596,879 24.02,881 19.842,883 2.096,884 69.167,888 353.133,889 126.539,890 88.829,892 36.145,895 126.539,896 389.278,897 88.829,899 63.815,900 108.278,901 29.85,902 47.425,903 13.915,904 341.362,906 353.133,907 215.367,908 36.145,911 306.049,912 83.229,915 80.601,916 134.767,919 353.133,920 124.973,921 126.539,924 353.133,925 51.158,926 81.63,927 16.786,928 101.939,929 353.133,930 124.973,931 126.539,933 0.567,934 0.329,935 0.175,936 0.097,937 21,938 9,939 0.141,940 10,941 1,942 1.095,943 4.707,944 278.048,945 0.095,946 21,947 158.465,951 23.771,952 11.66,953 6.359,954 2.29,955 108.188,956 16.104,958 3.28,961 4.056,963 82.58,964 604.645,965 45,970 12.572,974 0.262,975 67.418,976 77.138,977 0.238,978 0.575,979 0.762,980 0.86,981 0.889,982 0.889,983 5.05,984 1.604,985 5.916,986 4.477,987 4.575,988 5.053,989 2.315,990 6.676,991 4.504,992 6.213,993 1.333,994 7.441,995 3.725,996 4.007,997 4.783,998 1.738,999 7.486,1000 3.896,1001 7.494,1002 1.276,1003 9.068,1004 3.524,1005 6.116,1006 7.201,1007 3.044,1008 10.562,1009 5.976,1010 8.814,1011 1.076,1012 10.756,1013 3.166,1014 6.415,1015 7.836,1016 3.144,1017 12.243,1018 6.237,1019 10.171,1020 1,1021 12.485,1022 2.275,1023 7.938,1024 9.707,1025 4.149,1026 14.807,1027 7.735,1028 11.554,1029 1,1030 14.243,1031 2.275,1032 8.648,1033 10.774,1034 4.541,1035 16.844,1036 8.414,1037 12.957,1038 0.923,1039 16.021,1040 2.196,1041 9.924,1042 12.426,1043 5.385,1044 19.237,1045 9.666,1046 3.092,1047 0.632,1048 17.814,1049 1.939,1050 10.835,1051 13.712,1052 5.912,1053 21.427,1054 10.551,1055 2.919,1056 10.36,1057 19.618,1058 1.295,1059 12.004,1060 15.271,1061 6.67,1062 23.761,1063 11.7,1064 2.705,1065 9.124,1066 21.433,1067 4.504,1068 13.014,1069 16.667,1070 7.263,1071 26.019,1072 12.687,1073 2.387,1074 8.449,1075 23.254,1076 3.675,1077 14.14,1078 18.189,1079 7.976,1080 28.337,1081 13.794,1082 2.299,1083 6.863,1084 25.082,1085 3.129,1086 15.197,1087 19.639,1088 8.602,1089 30.627,1090 14.833,1091 1.979,1092 6.098,1093 26.914,1094 3.11,1095 16.307,1096 21.146,1097 9.292,1098 32.942,1099 15.925,1100 1.818,1101 5.914,1102 28.752,1103 2.863,1104 17.389,1105 22.623,1106 9.936,1107 35.248,1108 16.99,1109 18862,1110 28247,1111 24.444,1112 43.358,1113 52.883,1114 53.727,1115 54.152,1116 52.62,1117 52.587,1118 65.703,1119 8.312,1120 144.447,1121 50.735,1122 5.55,1123 5.718,1124 6.371,1125 5.143,1126 5.092,1127 7.504,1128 3.348,1129 17.015,1130 5.042,1131 14.16,1132 1.469,1133 1.492,1134 1.504,1135 1.462,1136 1.461,1137 1.825,1138 0.231,1139 4.012,1140 1.409,1141 4.132,1142 4.165,1143 4.09,1144 4.046,1145 7.427,1146 4.053,1147 3.966,1148 4.015,1149 3.897,1150 3.858,1151 5.115,1152 3.861,1153 3.8,1154 3.849,1155 3.705,1156 3.65,1157 5.035,1158 3.652,1159 3.682,1160 3.745,1161 3.544,1162 3.516,1163 4.958,1164 3.515,1165 3.559,1166 3.627,1167 3.431,1168 3.416,1169 4.583,1170 3.411,1171 3.432,1172 3.496,1173 3.29,1174 3.224,1175 4.545,1176 3.228,1177 3.301,1178 3.37,1179 3.174,1180 3.092,1181 4.216,1182 3.101,1183 3.111,1184 3.206,1185 2.949,1186 2.941,1187 4.096,1188 2.91,1189 0.126,1190 0.103,1191 0.182,1192 0.113,1193 0.086,1194 4.55,1195 0.125,1196 3.718,1197 0.054,1198 6.546,1199 0.288,1200 4.076,1201 0.085,1202 3.092,1203 4.504,1204 1.94,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.049,1210 2.068,1211 1.347,1212 2.065,1213 1.919,1214 1.881,1215 2.027,1216 2.028,1217 1.283,1218 2.028,1219 1.77,1220 1.717,1221 1.979,1222 1.937,1223 1.223,1224 1.949,1225 1.665,1226 1.602,1227 1.883,1228 1.852,1229 1.032,1230 1.871,1231 1.646,1232 1.585,1233 1.85,1234 1.843,1235 1.016,1236 1.852,1237 1.388,1238 1.331,1239 1.656,1240 1.629,1241 0.932,1242 1.634,1243 1.278,1244 1.191,1245 1.521,1246 1.553,1247 0.825,1248 1.555,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.556,1254 1.429,1255 4.29,1257 5.58,1258 2.398,1259 7.06,1260 4.727,1261 8.629,1262 6.823,1263 10.246,1269 11.473,1271 8.877,1273 5.947,1276 4.305,1280 40.439,1281 98.601,1282 238.214,1283 315.567,1284 355.947,1285 367.947,1286 367.947,1287 59.662,1288 7.856,1289 100.61,1290 100.61,1291 23,1292 12.526,1293 4.17,1294 3.322,1295 55.108,1296 200,1297 175,1298 0.13,1299 249.143,1300 427.68,1301 599.668,1302 36281,1304 23.045,1305 0.698,1306 0.584,1307 23.045,1308 19.263,1309 16.135,1310 0.448,1311 0.332,1312 11.804,1313 15.579,1314 11.591,1315 9.571,1316 16.135,1317 11.95,1318 13.893,1319 0.289,1320 0.181,1321 13.893,1322 8.678,1323 11.7,1324 0.189,1325 0.102,1326 11.7,1327 6.347,1328 9.36,1329 0.122,1330 0.057,1331 9.36,1332 4.412,1333 7.472,1334 0.079,1335 0.032,1336 7.472,1337 2.993,1338 0.219,1339 100.544,1340 0.202,1341 32.108,1342 0.32,1343 168,1344 419.719,1345 182.028,1346 407.377,1347 561.94,1348 384,1349 194,1350 414.964,1351 208.197,1352 418.947,1353 610.19,1354 397,1355 9.465} {0 CHEMBL121207,1 1.554,2 17.886,3 3.806,4 14.482,5 137.065,6 7.054,7 0.421,8 4.307,9 4.437,10 3.82,11 3.791,12 5.379,13 3.768,14 4.872,15 5.058,16 4.146,17 4.197,18 5.95,19 4.144,20 5.156,21 5.393,22 4.188,23 4.345,24 6.1,25 4.258,26 5.197,27 5.424,28 4.099,29 4.344,30 6.193,31 4.232,32 5.204,33 5.466,34 3.964,35 4.266,36 6.113,37 4.12,38 5.102,39 5.381,40 3.839,41 4.146,42 5.912,43 3.996,44 4.98,45 5.24,46 3.841,47 4.058,48 5.92,49 3.935,50 4.961,51 5.211,52 3.764,53 4.009,54 5.948,55 3.891,56 0.143,57 1.009,58 15.197,59 6.055,60 13.459,61 8.488,62 0.366,63 1.596,64 28.633,65 10.103,66 53.329,67 14.61,68 0.464,69 1.913,70 39.998,71 13.33,72 53.613,73 19.503,74 0.491,75 1.903,76 41.859,77 14.325,78 79.572,79 20.443,80 0.641,81 1.819,82 43.328,83 14.55,84 84.394,85 21.252,86 0.564,87 1.647,88 39.39,89 12.511,90 57.881,91 19.026,92 0.57,93 1.484,94 34.472,95 10.957,96 61.357,97 16.463,98 0.494,99 1.398,100 34.106,101 10.854,102 74.328,103 15.621,104 22,105 51,106 0.244,107 0.562,108 0.73,109 0.823,110 0.851,111 0.851,112 3.587,113 0.967,114 -3.78,115 -3.74,116 -3.56,119 38.2,121 5,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 1,162 1,163 1,164 2,169 9,171 2,172 9,176 4,178 8,180 1,181 1,182 13,186 4,189 7,191 1,193 8,197 1,199 4,201 1,202 2,203 7,206 1,207 1,208 1,210 1,211 5,213 1,214 2,215 3,220 1,222 5,224 1,225 2,226 3,228 1,229 1,231 2,233 8,235 1,236 1,237 3,242 1,244 8,248 2,249 4,254 2,256 6,258 1,259 2495,260 23.922,261 23.922,262 23.922,263 23.922,264 23.922,265 21.659,266 28.001,267 14.402,268 24.387,269 18.713,270 18.713,271 18.713,272 18.713,273 18.713,274 15.202,275 31.69,276 6.743,277 19.433,278 4.534,279 2.513,280 1.447,281 0.853,282 0.676,283 0.676,284 4.285,289 1,290 1350,291 4.243,294 105.467,295 392.134,298 184.214,302 2.816,303 36.764,306 1,307 0.5,308 0.83,309 1,310 0.5,311 0.83,312 0.5,313 0.74,314 76.5,315 626,316 4.55,317 3.778,318 6.546,319 4.076,320 3.092,321 4.504,322 2.612,323 10.36,324 3.042,325 4.278,326 3.718,327 6.179,328 3.885,329 2.935,330 3.962,331 1.94,332 9.151,333 2.792,334 4.014,335 3.186,336 5.996,337 3.727,338 2.76,339 3.366,340 0.86,341 8.474,342 2.663,343 3.881,344 3.095,345 5.881,346 3.541,347 2.586,348 3.129,349 0.8,350 8.047,351 2.464,352 3.715,353 2.774,354 5.317,355 3.327,356 2.387,357 3.094,358 0.555,359 6.863,360 2.242,361 3.346,362 2.344,363 5.096,364 2.95,365 1.979,366 2.675,368 5.914,369 1.912,370 3.168,371 2.171,372 4.523,373 2.84,374 1.855,375 2.306,377 4.663,378 1.821,379 2.865,380 2.074,381 4.165,382 2.661,383 1.681,384 1.891,386 3.841,387 1.644,388 2.762,389 1.823,390 4.156,391 2.37,392 1.4,393 1.85,395 3.538,396 1.352,397 2.695,398 1.483,399 3.749,400 2.3,401 1.318,402 1.703,404 3.226,405 1.293,406 2.5,407 1.451,408 3.694,409 2.093,410 1.123,411 1.5,413 2.701,414 1.084,415 2.397,416 1.381,417 3.414,418 2.016,419 1.057,420 1.365,422 2.275,423 1.009,424 2.325,425 1.147,426 3.414,427 2,428 1,429 1.278,431 2.275,432 1,433 2.106,434 1.146,435 3.343,436 1.967,437 1,438 1.031,440 2.19,441 0.965,442 2,443 1,444 3.202,445 1.879,446 0.907,447 1,449 1.934,450 0.871,451 16.333,452 0.467,453 0.712,454 0.02,455 42.25,456 1.207,457 19.5,458 0.557,459 22.75,460 0.65,461 32.055,462 0.916,463 39.467,464 0.58,465 32.194,466 0.92,467 8.157,468 0.233,469 8.889,470 0.254,471 0.086,473 0.288,479 0.62,480 1.374,481 0.83,482 1.157,483 0.549,484 1.043,485 0.789,486 1.214,487 0.946,488 1.099,489 0.458,490 1.046,491 0.936,492 0.971,493 0.955,494 0.975,495 0.647,496 0.961,497 1.117,498 1.126,499 1.136,500 1.176,501 1.106,502 1.168,503 0.861,504 0.977,505 1.006,506 1.066,507 0.942,508 1.074,509 0.784,510 0.952,511 0.941,512 0.963,513 0.548,514 0.978,515 0.78,516 0.96,517 0.96,518 1.007,519 0.682,520 1.008,521 1.233,522 0.951,523 1.089,524 1.035,525 1.359,526 1.044,527 6,528 0.156,529 4.222,530 1.854,531 1.258,532 1.035,533 0.682,534 0.343,535 0.236,536 0.228,537 23513,538 62951,539 2.075,540 48.5,541 4,542 19,543 1,545 3,546 2,547 4,550 1.757,551 1.963,552 4.075,553 0.82,559 105.661,560 1.554,561 3.575,562 4.641,563 5.235,564 5.411,565 5.411,566 3.536,567 4.515,568 5.103,569 4.3,570 2558.56,571 8.895,572 45808.1,577 413.947,578 1.316,579 5.07,580 0.158,581 0.006,582 0.083,583 0.036,584 0.028,585 0.027,586 0.02,587 0.01,588 0.008,589 0.008,590 0.383,591 0.33,592 0.75,593 0.887,594 198.321,595 0.103,596 -0.075,597 0.057,598 -0.009,599 0.003,600 0.009,601 0.043,602 -0.051,603 -0.015,604 -0.033,605 0.145,606 -0.03,607 -0.074,608 0.066,609 0.006,610 0.035,611 0.014,612 0.04,613 -0.137,614 -0.13,615 -0.168,616 -0.148,617 -0.095,618 -0.161,619 0.03,620 -0.051,621 -0.031,622 -0.069,623 -0.057,624 -0.069,625 0.025,626 -0.026,627 0.034,628 0.009,629 0.017,630 0.019,631 0.103,632 0.005,633 0.018,634 -0.03,635 0.076,636 -0.018,637 -0.125,638 -0.02,639 -0.086,640 -0.055,641 -0.122,642 -0.063,643 2.395,644 5.589,645 0.6,646 48.71,647 1.003,648 1.134,649 2.548,650 6.495,651 0.64,652 3.664,653 3.951,654 4.205,655 4.407,656 4.595,657 4.673,658 4.771,659 4.727,660 4.7,661 4.787,662 10.345,663 0.608,664 479.64,665 3.664,666 5.187,667 6.023,668 6.878,669 7.731,670 8.593,671 9.453,672 10.318,673 11.182,674 12.049,675 7.4,676 1,681 1,682 1,683 1,686 1,687 2,688 8,690 1,693 4,695 16,708 1,709 1,712 1,714 68,716 19,717 2,718 38,720 71,721 26,722 14,723 5,724 7,730 4,731 5,736 1,743 5,745 15,746 11,750 3,752 1,755 3,759 1,764 33,765 7,766 3,767 9,773 5,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 35,828 1,833 11,835 1,838 2,847 5.9,850 1,852 1,853 2,854 17.833,855 11.767,856 7.889,857 4.304,858 3.01,859 1.375,860 0.974,861 8.881,862 11.029,863 3.912,864 4.463,865 4.996,866 5.522,867 5.993,868 6.272,869 6.594,870 6.74,871 6.591,872 6.711,873 0.917,874 52,875 12.988,877 5.476,878 7.819,879 24.983,881 20.537,883 2.319,884 81.167,888 353.133,889 126.539,890 61.601,892 86.892,895 126.539,896 440.025,897 61.601,898 5.67,899 63.815,900 75.381,901 29.85,902 47.425,903 13.915,904 341.362,905 50.747,906 353.133,907 188.14,908 86.892,911 306.049,912 83.229,913 50.747,915 80.601,916 101.87,917 5.67,919 353.133,920 148.493,921 126.539,924 353.133,925 51.158,926 87.3,927 16.786,928 119.789,929 353.133,930 148.493,931 126.539,933 0.57,934 0.332,935 0.173,936 0.092,937 22,938 10,939 0.155,940 11,941 1,942 1.095,943 4.851,944 300.63,945 0.095,946 21,947 169.525,951 25.33,952 12.272,953 6.676,954 2.25,955 126.038,956 14.67,958 3.266,961 3.109,963 49.683,964 628.165,965 49,967 -0.395,970 34.223,974 0.194,975 68.189,976 77.142,977 0.255,978 0.587,979 0.762,980 0.86,981 0.889,982 0.889,983 5.136,984 1.681,985 5.984,986 4.663,987 4.635,988 5.15,989 3.06,990 6.753,991 4.564,992 6.312,993 1.4,994 7.519,995 3.841,996 4.111,997 4.966,998 2.727,999 7.594,1000 4.001,1001 7.605,1002 1.318,1003 9.156,1004 3.538,1005 6.188,1006 7.324,1007 4.427,1008 10.658,1009 6.046,1010 8.936,1011 1.123,1012 10.854,1013 3.226,1014 6.524,1015 8.026,1016 4.726,1017 12.348,1018 6.344,1019 10.304,1020 1.057,1021 12.592,1022 2.701,1023 8.026,1024 9.851,1025 6.099,1026 14.901,1027 7.82,1028 11.696,1029 1,1030 14.356,1031 2.275,1032 8.757,1033 10.955,1034 6.68,1035 16.933,1036 8.519,1037 13.107,1038 1,1039 16.138,1040 2.275,1041 10.021,1042 12.576,1043 7.88,1044 19.315,1045 9.758,1046 3.092,1047 0.907,1048 17.933,1049 2.19,1050 10.941,1051 13.875,1052 8.617,1053 21.496,1054 10.653,1055 2.935,1056 10.36,1057 19.739,1058 1.934,1059 12.103,1060 15.414,1061 9.718,1062 23.82,1063 11.792,1064 2.76,1065 9.151,1066 21.552,1067 4.504,1068 13.114,1069 16.809,1070 10.547,1071 26.07,1072 12.782,1073 2.586,1074 8.474,1075 23.372,1076 3.962,1077 14.235,1078 18.315,1079 11.591,1080 28.38,1081 13.882,1082 2.387,1083 8.047,1084 25.196,1085 3.366,1086 15.291,1087 19.759,1088 12.473,1089 30.663,1090 14.919,1091 1.979,1092 6.863,1093 27.025,1094 3.129,1095 16.396,1096 21.254,1097 13.483,1098 32.973,1099 16.006,1100 1.855,1101 5.914,1102 28.858,1103 3.094,1104 17.475,1105 22.723,1106 14.398,1107 35.274,1108 17.068,1109 22226,1110 36611,1111 25.542,1112 43.506,1113 56.089,1114 58.174,1115 57.607,1116 55.936,1117 55.916,1118 71.473,1119 13.537,1120 154.568,1121 53.99,1122 5.55,1123 5.778,1124 6.371,1125 5.143,1126 5.092,1127 7.504,1128 4.612,1129 17.015,1130 5.042,1131 17.113,1132 1.476,1133 1.531,1134 1.516,1135 1.472,1136 1.471,1137 1.881,1138 0.356,1139 4.068,1140 1.421,1141 4.133,1142 4.166,1143 4.091,1144 4.046,1145 7.815,1146 4.053,1147 4.01,1148 4.047,1149 3.964,1150 3.875,1151 7.427,1152 3.886,1153 3.833,1154 3.885,1155 3.748,1156 3.654,1157 6.999,1158 3.659,1159 3.701,1160 3.763,1161 3.572,1162 3.522,1163 5.038,1164 3.523,1165 3.566,1166 3.629,1167 3.473,1168 3.417,1169 4.958,1170 3.413,1171 3.486,1172 3.531,1173 3.391,1174 3.229,1175 4.71,1176 3.243,1177 3.395,1178 3.448,1179 3.261,1180 3.097,1181 4.583,1182 3.128,1183 3.287,1184 3.353,1185 3.155,1186 3.011,1187 4.257,1188 3.071,1189 0.12,1190 0.099,1191 0.172,1192 0.107,1193 0.081,1194 4.55,1195 0.119,1196 3.778,1197 0.069,1198 6.546,1199 0.273,1200 4.076,1201 0.08,1202 3.092,1203 4.504,1204 2.612,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.052,1210 2.107,1211 1.347,1212 2.083,1213 1.935,1214 1.902,1215 2.028,1216 2.029,1217 1.284,1218 2.028,1219 1.775,1220 1.721,1221 1.98,1222 1.986,1223 1.223,1224 1.968,1225 1.672,1226 1.608,1227 1.886,1228 1.875,1229 1.049,1230 1.889,1231 1.647,1232 1.586,1233 1.85,1234 1.845,1235 1.018,1236 1.852,1237 1.392,1238 1.337,1239 1.657,1240 1.668,1241 0.933,1242 1.642,1243 1.279,1244 1.193,1245 1.521,1246 1.591,1247 0.825,1248 1.559,1249 1.175,1250 1.139,1251 1.513,1252 1.541,1253 0.556,1254 1.511,1255 4.344,1257 5.638,1258 2.398,1259 7.124,1260 4.727,1261 8.696,1262 6.823,1263 10.315,1269 5.694,1271 8.143,1273 5.931,1276 4.081,1280 41.341,1281 105.661,1282 243.069,1283 315.567,1284 355.947,1285 367.947,1286 367.947,1287 75.353,1288 8.019,1289 120.41,1290 120.41,1291 23,1292 12.595,1293 4.322,1294 3.585,1295 60.313,1296 223,1297 187,1298 0.127,1299 254.208,1300 442.62,1301 612.027,1302 44709,1304 24.623,1305 0.704,1306 0.57,1307 24.623,1308 19.949,1309 17.046,1310 0.449,1311 0.322,1312 12.07,1313 16.278,1314 11.885,1315 9.794,1316 17.046,1317 12.25,1318 14.792,1319 0.29,1320 0.174,1321 14.792,1322 8.86,1323 12.399,1324 0.188,1325 0.099,1326 12.399,1327 6.514,1328 9.885,1329 0.122,1330 0.056,1331 9.885,1332 4.512,1333 7.676,1334 0.078,1335 0.031,1336 7.676,1337 3.032,1338 0.214,1339 107.618,1340 0.198,1341 33.729,1342 0.312,1343 178,1344 533.523,1345 197.178,1346 506.923,1347 680.44,1348 472,1349 206,1350 497.484,1351 225.183,1352 493.047,1353 714.47,1354 465,1355 9.399} {0 CHEMBL121499,1 1.501,2 14.467,3 1.749,4 3.058,5 119.708,6 6.908,7 0.485,8 4.169,9 4.308,10 3.668,11 3.662,12 5.214,13 3.639,14 4.719,15 4.911,16 4.002,17 4.066,18 5.689,19 4.015,20 4.982,21 5.207,22 4.062,23 4.225,24 5.94,25 4.134,26 5.029,27 5.256,28 3.954,29 4.226,30 5.959,31 4.102,32 5.075,33 5.348,34 3.854,35 4.106,36 5.979,37 3.966,38 4.885,39 5.155,40 3.72,41 3.931,42 5.77,43 3.819,44 4.667,45 4.889,46 3.707,47 3.875,48 5.659,49 3.78,50 4.774,51 5.024,52 3.683,53 3.874,54 5.764,55 3.758,56 0.06,57 0.893,58 13.545,59 5.07,60 11.656,61 7.293,62 0.257,63 1.407,64 24.868,65 8.415,66 24.041,67 12.399,68 0.49,69 1.675,70 33.366,71 11.394,72 46.266,73 16.657,74 0.259,75 1.695,76 34.702,77 12.564,78 43.974,79 18.146,80 0.496,81 1.596,82 38.126,83 12.455,84 62.827,85 18.443,86 0.501,87 1.339,88 31.834,89 9.551,90 46.446,91 14.27,92 0.249,93 1.195,94 24.235,95 8.265,96 31.811,97 12.083,98 0.304,99 1.244,100 27.622,101 9.174,102 46.909,103 13.512,104 15,105 45,106 0.244,107 0.579,108 0.739,109 0.824,110 0.846,111 0.846,112 3.44,113 0.948,114 -2.28,115 -2.31,116 -2.28,119 39,121 1,125 7,140 7,141 3,142 2,149 1,150 1,156 1,161 2,162 2,163 2,169 8,171 1,172 4,176 5,178 8,180 2,181 3,182 4,186 6,189 6,191 3,193 2,197 3,199 2,201 3,202 1,203 7,206 1,207 1,208 1,210 1,211 1,213 1,214 1,215 6,217 1,218 1,220 1,224 1,226 5,228 1,229 1,231 1,235 1,237 8,240 2,249 5,251 1,252 1,259 1556,260 20.756,261 20.756,262 20.756,263 20.756,264 20.756,265 18.798,266 25.629,267 12.279,268 21.156,269 16.173,270 16.173,271 16.173,272 16.173,273 16.173,274 13.054,275 31.9,276 5.648,277 16.811,278 4.382,279 2.32,280 1.337,281 0.814,282 0.678,283 0.678,284 4.139,288 1,289 1,290 943,291 3.464,294 81.84,295 305.901,298 142.362,302 2.302,303 25.261,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64.5,315 434,316 4.55,317 3.741,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.149,326 3.183,327 6.17,328 3.868,329 2.921,330 3.691,331 0.933,332 9.13,333 2.768,334 3.948,335 3.111,336 5.989,337 3.682,338 2.717,339 3.177,340 0.8,341 8.461,342 2.617,343 3.703,344 2.744,345 5.316,346 3.372,347 2.402,348 3.06,349 0.522,350 6.858,351 2.326,352 3.64,353 2.678,354 5.296,355 3.296,356 2.343,357 2.908,358 0.51,359 6.766,360 2.224,361 3.344,362 2.284,363 5.096,364 2.94,365 1.971,366 2.672,368 5.915,369 1.9,370 2.938,371 2.155,372 4.465,373 2.675,374 1.691,375 1.98,377 4.491,378 1.654,379 2.743,380 1.638,381 4.166,382 2.306,383 1.333,384 1.844,386 3.577,387 1.296,388 2.5,389 1.476,390 4.072,391 2.215,392 1.265,393 1.5,395 3.374,396 1.193,397 2.442,398 1.379,399 3.414,400 2.016,401 1.063,402 1.416,404 2.275,405 1.009,406 2.326,407 1.146,408 3.414,409 2,410 1,411 1.28,413 2.275,414 1,415 2.004,416 1.132,417 3.339,418 1.967,419 1,420 1,422 2.114,423 0.965,424 2,425 1,426 3.103,427 1.648,428 0.697,429 0.885,431 1.445,432 0.657,433 1.723,434 0.801,435 2.99,436 1.455,437 0.512,438 0.575,440 0.949,441 0.481,442 1.638,443 0.739,444 2.79,445 1.333,446 0.396,447 0.479,449 0.739,450 0.365,451 14.167,452 0.472,453 0.585,454 0.019,455 36.25,456 1.208,457 16.5,458 0.55,459 19.75,460 0.658,461 25.675,462 0.856,463 33.233,464 0.563,465 27.313,466 0.91,467 7.361,468 0.245,469 7.312,470 0.244,471 0.08,473 0.304,479 0.954,480 1.359,481 0.886,482 1.104,483 0.832,484 0.991,485 1.097,486 1.121,487 0.983,488 0.993,489 0.728,490 0.964,491 0.988,492 0.953,493 1.013,494 0.981,495 0.86,496 0.994,497 1.034,498 1.241,499 1.141,500 1.3,501 1.178,502 1.252,503 1.056,504 0.991,505 0.947,506 1.023,507 1.107,508 0.991,509 1.423,510 0.798,511 0.994,512 0.794,513 1.087,514 0.836,515 1.102,516 1.17,517 1.068,518 1.169,519 1.074,520 1.124,521 1.053,522 1.124,523 0.991,524 1.141,525 1.325,526 1.078,527 5.5,528 0.089,529 3.778,530 1.479,531 1.218,532 1.028,533 0.58,534 0.32,535 0.308,536 0.239,537 13838,538 32066,539 2.107,540 49.2,542 21,543 1,545 5,547 2,550 1.721,551 2,552 3.785,553 2.386,555 1,559 88.543,560 1.501,561 3.563,562 4.546,563 5.069,564 5.205,565 5.205,566 3.257,567 4.507,568 4.877,569 3.956,570 1720.7,571 8.469,572 25388.6,574 1,577 347.076,578 1.295,579 4.851,580 0.167,581 0.004,582 0.084,583 0.032,584 0.031,585 0.03,586 0.019,587 0.01,588 0.011,589 0.01,590 0.397,591 0.17,592 1,593 0.92,594 158.319,595 -0.084,596 -0.083,597 0.043,598 0.003,599 -0.102,600 0.039,601 -0.077,602 0.04,603 -0.017,604 0.041,605 -0.035,606 0.028,607 0.052,608 0.1,609 -0.037,610 0.034,611 0.033,612 -0.003,613 -0.085,614 -0.234,615 -0.182,616 -0.259,617 -0.116,618 -0.238,619 0.076,620 -0.097,621 0.056,622 -0.05,623 0.001,624 -0.012,625 -0.091,626 0.124,627 0.037,628 0.143,629 -0.043,630 0.111,631 -0.028,632 -0.136,633 -0.09,634 -0.152,635 0.039,636 -0.131,637 0.056,638 -0.171,639 0.002,640 -0.152,641 0.027,642 -0.095,643 1.649,644 5.627,645 0.7,646 34.658,647 0.996,648 1.134,649 1.047,650 1.096,651 0.645,652 3.526,653 3.829,654 4.111,655 4.331,656 4.543,657 4.615,658 4.718,659 4.736,660 4.771,661 4.883,662 8.157,663 0.608,664 407.57,665 3.526,666 5.056,667 5.905,668 6.77,669 7.634,670 8.503,671 9.373,672 10.244,673 11.116,674 11.989,675 8.5,676 2,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 59,716 17,717 2,718 33,720 62,721 23,722 14,723 5,724 7,730 4,731 5,736 2,743 1,745 15,746 8,750 1,755 1,759 1,761 1,764 29,765 6,766 5,767 7,773 5,777 0.75,778 2,788 1,792 1,793 3,796 1,806 1,812 2,819 3,827 30,828 2,833 8,835 1,838 2,847 3.4,850 1,852 1,854 15,855 10.067,856 6.778,857 3.479,858 2.914,859 1.373,860 1.006,861 6.696,862 10.721,863 3.761,864 4.327,865 4.904,866 5.449,867 5.942,868 6.182,869 6.499,870 6.77,871 6.712,872 6.854,873 0.9,874 46,875 11.118,877 4.681,878 7.656,879 21.57,881 17.829,883 2.156,884 64.667,888 282.506,889 118.935,890 88.829,892 36.145,895 118.935,896 318.651,897 88.829,899 88.68,900 75.381,901 29.85,902 47.854,903 13.915,904 270.735,906 282.506,907 207.764,908 36.145,911 258.964,912 59.687,915 105.465,916 102.299,919 282.506,920 124.973,921 118.935,924 282.506,925 43.554,926 81.63,927 16.786,928 101.939,929 282.506,930 124.973,931 118.935,933 0.572,934 0.342,935 0.18,936 0.098,937 21,938 9,939 0.113,940 7,941 1,942 1.095,943 4.31,944 256.132,945 0.095,946 21,947 139.207,951 20.878,952 9.621,953 4.869,954 2.146,955 108.188,956 16.132,958 3.244,961 4.161,963 82.58,964 526.415,965 42,970 12.627,974 0.018,975 58.767,976 66.893,977 0.255,978 0.606,979 0.773,980 0.862,981 0.885,982 0.885,983 4.99,984 1.333,985 5.872,986 4.491,987 4.511,988 5.014,989 2.472,990 6.658,991 4.438,992 6.17,993 1.265,994 7.416,995 3.577,996 4.007,997 4.783,998 1.738,999 7.516,1000 3.909,1001 7.465,1002 1.063,1003 9.058,1004 3.374,1005 6.084,1006 7.193,1007 3.333,1008 10.577,1009 5.942,1010 8.796,1011 1,1012 10.759,1013 2.275,1014 6.431,1015 7.844,1016 3.296,1017 12.268,1018 6.263,1019 10.163,1020 1,1021 12.496,1022 2.275,1023 7.932,1024 9.711,1025 4.559,1026 14.826,1027 7.728,1028 11.553,1029 0.697,1030 14.258,1031 2.114,1032 8.668,1033 10.783,1034 4.854,1035 16.862,1036 8.44,1037 12.961,1038 0.512,1039 16.039,1040 1.445,1041 9.931,1042 12.433,1043 5.901,1044 19.25,1045 9.674,1046 3.092,1047 0.396,1048 17.833,1049 0.949,1050 10.854,1051 13.72,1052 6.37,1053 21.438,1054 10.575,1055 2.921,1056 10.36,1057 19.638,1058 0.739,1059 12.018,1060 15.277,1061 7.287,1062 23.77,1063 11.713,1064 2.717,1065 9.13,1066 21.452,1067 4.504,1068 13.032,1069 16.673,1070 7.856,1071 26.026,1072 12.707,1073 2.402,1074 8.461,1075 23.272,1076 3.691,1077 14.155,1078 18.194,1079 8.696,1080 28.342,1081 13.808,1082 2.343,1083 6.858,1084 25.098,1085 3.177,1086 15.214,1087 19.644,1088 9.324,1089 30.631,1090 14.849,1091 1.971,1092 6.766,1093 26.93,1094 3.06,1095 16.323,1096 21.15,1097 10.117,1098 32.946,1099 15.939,1100 1.691,1101 5.915,1102 28.765,1103 2.908,1104 17.405,1105 22.627,1106 10.781,1107 35.252,1108 17.004,1109 13076,1110 20020,1111 22.364,1112 38.074,1113 49.113,1114 49.904,1115 50.514,1116 48.788,1117 48.81,1118 61.941,1119 9.64,1120 137.456,1121 46.998,1122 5.55,1123 5.741,1124 6.313,1125 5.159,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 13.077,1132 1.488,1133 1.512,1134 1.531,1135 1.478,1136 1.479,1137 1.877,1138 0.292,1139 4.165,1140 1.424,1141 4.132,1142 4.164,1143 4.09,1144 4.045,1145 7.427,1146 4.052,1147 3.971,1148 4.017,1149 3.903,1150 3.879,1151 5.046,1152 3.879,1153 3.777,1154 3.829,1155 3.691,1156 3.589,1157 5.023,1158 3.605,1159 3.575,1160 3.634,1161 3.466,1162 3.425,1163 4.956,1164 3.424,1165 3.457,1166 3.519,1167 3.328,1168 3.223,1169 4.684,1170 3.244,1171 3.314,1172 3.399,1173 3.188,1174 3.093,1175 4.561,1176 3.104,1177 3.233,1178 3.309,1179 3.071,1180 3.018,1181 4.247,1182 3.019,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.987,1188 2.91,1189 0.138,1190 0.113,1191 0.198,1192 0.124,1193 0.094,1194 4.55,1195 0.136,1196 3.741,1197 0.062,1198 6.546,1199 0.314,1200 4.076,1201 0.092,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.939,1208 1.918,1209 2.06,1210 2.072,1211 1.302,1212 2.07,1213 1.932,1214 1.901,1215 2.02,1216 2.023,1217 1.224,1218 2.022,1219 1.723,1220 1.663,1221 1.915,1222 1.917,1223 1.116,1224 1.921,1225 1.648,1226 1.59,1227 1.851,1228 1.846,1229 1.017,1230 1.853,1231 1.37,1232 1.326,1233 1.579,1234 1.647,1235 0.825,1236 1.627,1237 1.277,1238 1.19,1239 1.53,1240 1.56,1241 0.737,1242 1.559,1243 1.223,1244 1.14,1245 1.513,1246 1.502,1247 0.617,1248 1.509,1249 1.153,1250 1.064,1251 1.501,1252 1.376,1253 0.554,1254 1.429,1255 4.205,1257 5.509,1258 2.398,1259 7.013,1260 4.727,1261 8.601,1262 6.823,1263 10.233,1269 11.353,1271 5.01,1273 5.807,1276 4.17,1280 35.858,1281 88.543,1282 210.205,1283 268.205,1284 299.076,1285 307.076,1286 307.076,1287 49.795,1288 7.808,1289 100.61,1290 100.61,1291 23,1292 12.53,1293 4.17,1294 3.322,1295 47.481,1296 148,1297 154,1298 0.154,1299 220.366,1300 375.78,1301 529.452,1302 30094,1304 20.924,1305 0.697,1306 0.571,1307 20.924,1308 17.141,1309 14.673,1310 0.445,1311 0.316,1312 10.273,1313 14.119,1314 10.082,1315 8.302,1316 14.673,1317 10.423,1318 12.648,1319 0.281,1320 0.169,1321 12.648,1322 7.587,1323 11.117,1324 0.185,1325 0.095,1326 11.117,1327 5.684,1328 8.916,1329 0.119,1330 0.052,1331 8.916,1332 3.903,1333 7.128,1334 0.077,1335 0.028,1336 7.128,1337 2.621,1338 0.251,1339 91.837,1340 0.211,1341 29.093,1342 0.395,1343 156,1344 407.719,1345 169.695,1346 394.191,1347 544.06,1348 372,1349 183,1350 400.542,1351 197.528,1352 404.989,1353 593.35,1354 383,1355 8.602} {0 CHEMBL121901,1 1.688,2 15.455,3 2.026,4 4.105,5 130.07,6 7.607,7 0.444,8 4.229,9 4.348,10 3.933,11 3.744,12 5.268,13 3.711,14 4.795,15 4.966,16 4.186,17 4.126,18 6,19 4.082,20 5.054,21 5.265,22 4.19,23 4.272,24 6.119,25 4.192,26 5.065,27 5.276,28 4.138,29 4.297,30 6.065,31 4.179,32 5.134,33 5.379,34 4.045,35 4.206,36 6.17,37 4.082,38 4.994,39 5.254,40 3.869,41 4.021,42 5.952,43 3.914,44 4.749,45 4.979,46 3.878,47 3.93,48 5.77,49 3.83,50 4.788,51 5.009,52 3.924,53 3.963,54 5.841,55 3.857,56 0.129,57 0.965,58 16.162,59 5.74,60 21.082,61 7.348,62 0.521,63 1.508,64 29.153,65 9.58,66 65.844,67 12.649,68 0.771,69 1.771,70 36.337,71 11.864,72 83.326,73 16.135,74 0.377,75 1.782,76 37.503,77 13.899,78 57.459,79 18.532,80 0.697,81 1.721,82 42.799,83 14.172,84 90.739,85 19.249,86 0.697,87 1.482,88 37.067,89 10.781,90 73.794,91 15.562,92 0.455,93 1.293,94 27.245,95 8.998,96 42.422,97 12.638,98 0.439,99 1.322,100 32.042,101 10.382,102 54.07,103 13.349,104 34,105 51,106 0.27,107 0.595,108 0.742,109 0.812,110 0.843,111 0.843,112 3.531,113 1.062,114 -1.72,115 -1.79,116 -1.81,119 37.1,121 1,124 1,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 1,162 1,163 1,169 6,171 2,172 4,174 2,176 6,178 6,180 1,181 3,182 4,186 6,189 6,191 1,193 5,197 1,199 2,201 1,202 1,203 11,206 2,207 1,208 1,210 1,211 1,213 1,214 1,215 6,220 1,224 1,225 2,226 4,228 1,229 1,231 1,235 1,237 8,240 3,249 4,259 2060,260 21.988,261 21.988,262 21.988,263 21.988,264 21.988,265 19.653,266 25.283,267 12.877,268 22.488,269 17.75,270 17.75,271 17.75,272 17.75,273 17.75,274 14.046,275 28.152,276 6.051,277 18.572,278 4.267,279 2.238,280 1.317,281 0.883,282 0.69,283 0.69,284 4.225,289 1,290 1095,291 4.243,294 94.497,295 348.308,298 164.396,302 2.562,303 38.454,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72.5,315 510,316 4.644,317 4.311,318 6.546,319 4.077,320 3.14,321 4.504,322 2.055,323 10.36,324 3.043,325 4.55,326 3.741,327 6.455,328 4.076,329 3.092,330 4.442,331 0.933,332 10.196,333 2.922,334 4.134,335 3.183,336 6.168,337 3.856,338 2.913,339 3.669,340 0.8,341 9.124,342 2.743,343 3.943,344 3.106,345 5.988,346 3.664,347 2.705,348 3.176,349 0.51,350 8.459,351 2.589,352 3.698,353 2.742,354 5.315,355 3.312,356 2.368,357 3.057,359 6.856,360 2.234,361 3.594,362 2.532,363 5.216,364 3.23,365 2.269,366 2.869,368 6.603,369 2.173,370 3.344,371 2.265,372 5.096,373 2.94,374 1.971,375 2.672,377 5.915,378 1.9,379 2.927,380 2.154,381 4.462,382 2.651,383 1.669,384 1.97,386 4.484,387 1.628,388 2.742,389 1.595,390 4.166,391 2.305,392 1.33,393 1.844,395 3.576,396 1.296,397 2.5,398 1.476,399 4.071,400 2.195,401 1.25,402 1.5,404 3.373,405 1.173,406 2.433,407 1.379,408 3.414,409 2.015,410 1.062,411 1.405,413 2.275,414 1.008,415 2.326,416 1.146,417 3.414,418 2,419 1,420 1.279,422 2.275,423 1,424 2.003,425 1.132,426 3.339,427 1.967,428 1,429 1,431 2.114,432 0.965,433 2,434 1,435 3.146,436 1.646,437 0.694,438 0.884,440 1.443,441 0.655,442 1.72,443 0.773,444 3.085,445 1.348,446 0.415,447 0.506,449 0.93,450 0.381,451 15.667,452 0.475,453 0.938,454 0.028,455 41.75,456 1.265,457 20,458 0.606,459 21.75,460 0.659,461 28.531,462 0.865,463 37.133,464 0.599,465 33.295,466 1.009,467 8.17,468 0.248,469 7.65,470 0.232,471 0.121,472 0.053,473 0.274,479 0.708,480 1.475,481 0.846,482 1.271,483 0.685,484 1.009,485 0.851,486 1.195,487 1.053,488 1.099,489 0.539,490 0.974,491 1.167,492 0.863,493 0.945,494 0.806,495 1.087,496 0.961,497 0.838,498 1.191,499 1,500 1.199,501 0.762,502 1.206,503 0.969,504 0.994,505 0.907,506 1.016,507 0.951,508 1.047,509 1.174,510 0.879,511 0.822,512 0.766,513 0.931,514 0.878,515 0.794,516 1.056,517 0.833,518 0.941,519 0.661,520 1.011,521 0.964,522 1.054,523 1.137,524 1.184,525 0.928,526 1.053,527 8,528 0.143,529 4,530 1.979,531 1.538,532 1.111,533 0.741,534 0.445,535 0.406,536 0.278,537 18047,538 51767,539 2.054,540 46.8,542 22,543 1,545 4,547 2,550 1.745,551 1.913,552 3.86,553 1.603,559 104.627,560 1.688,561 3.716,562 4.638,563 5.071,564 5.265,565 5.265,566 3.362,567 4.537,568 5.014,569 4.099,570 2164.24,571 8.739,572 34955.2,577 369.16,578 1.554,579 4.964,580 0.222,581 0.005,582 0.078,583 0.04,584 0.034,585 0.028,586 0.022,587 0.013,588 0.012,589 0.009,590 0.464,591 0.17,592 0.88,593 1.056,594 180.506,595 0.011,596 -0.181,597 0.185,598 -0.075,599 -0.13,600 0.023,601 0.092,602 -0.031,603 -0.063,604 -0.048,605 0.205,606 0.004,607 -0.12,608 0.173,609 -0.1,610 0.095,611 -0.117,612 -0.01,613 -0.056,614 -0.184,615 -0.108,616 -0.189,617 -0.023,618 -0.183,619 0.023,620 -0.093,621 -0.001,622 -0.08,623 -0.014,624 -0.054,625 -0.11,626 0.012,627 0.039,628 0.083,629 -0.078,630 0.077,631 0.065,632 -0.044,633 0.039,634 -0.019,635 0.045,636 -0.035,637 0.006,638 -0.037,639 -0.043,640 -0.108,641 0.015,642 -0.05,643 4.213,644 5.67,645 0.636,646 42.514,647 1.008,648 1.133,649 0.49,650 0.24,651 0.655,652 3.611,653 3.951,654 4.159,655 4.407,656 4.605,657 4.673,658 4.82,659 4.883,660 4.868,661 4.97,662 9.004,663 0.621,664 471.64,665 3.611,666 5.165,667 5.999,668 6.88,669 7.731,670 8.613,671 9.47,672 10.352,673 11.213,674 12.094,675 8.1,676 1,680 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 62,716 19,717 2,718 36,720 65,721 23,722 14,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 8,750 3,753 1,755 3,759 1,764 29,765 8,766 4,767 10,768 1,773 5,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,821 1,823 1,827 33,828 1,830 1,833 7,834 1,835 1,838 2,847 6.5,850 3,852 1,854 17.25,855 10.983,856 7.153,857 3.514,858 3.105,859 1.386,860 0.999,861 7.365,862 11.144,863 3.871,864 4.486,865 4.941,866 5.512,867 5.999,868 6.249,869 6.618,870 6.922,871 6.791,872 6.923,873 1,874 49,875 12.397,877 5.442,878 7.881,879 23.394,881 19.466,883 2.381,884 78.583,888 294.278,889 129.399,890 72.336,892 80.458,894 5.807,895 123.591,896 374.735,897 72.336,898 7.19,899 53.677,900 81.189,901 90.568,902 47.425,903 13.915,904 282.506,906 294.278,907 195.928,908 80.458,909 5.807,911 270.735,912 104,915 70.462,916 109.06,917 22.212,919 294.278,920 152.794,921 129.399,923 5.807,924 294.278,925 41.02,926 88.82,927 33.191,928 113.355,929 294.278,930 152.794,931 129.399,933 0.585,934 0.32,935 0.171,936 0.094,937 24,938 11,939 0.123,940 8,941 1,942 1.095,943 4.517,944 290.079,945 0.095,946 21,947 154.465,950 1,951 23.733,952 10.241,953 6.133,954 2.088,955 136.009,956 14.952,958 3.226,961 3.321,963 66.088,964 576.47,965 47,968 -3.296,970 35.355,974 -0.043,975 62.498,976 70.232,977 0.283,978 0.624,979 0.779,980 0.852,981 0.884,982 0.884,983 5.124,984 1.669,985 6.014,986 5.915,987 4.635,988 5.173,989 2.425,990 6.828,991 4.547,992 6.351,993 1.33,994 7.579,995 4.484,996 4.369,997 5.255,998 1.738,999 7.881,1000 4.217,1001 7.692,1002 1.25,1003 9.246,1004 3.576,1005 6.282,1006 7.459,1007 3.327,1008 10.841,1009 6.103,1010 9.069,1011 1.062,1012 10.971,1013 3.373,1014 6.792,1015 8.341,1016 3.296,1017 12.655,1018 6.547,1019 10.48,1020 1,1021 12.731,1022 2.275,1023 8.215,1024 10.092,1025 4.559,1026 15.177,1027 7.942,1028 11.912,1029 1,1030 14.515,1031 2.275,1032 9.058,1033 11.309,1034 4.854,1035 17.283,1036 8.724,1037 13.361,1038 0.694,1039 16.315,1040 2.114,1041 10.293,1042 12.901,1043 5.901,1044 19.664,1045 9.927,1046 3.14,1047 0.415,1048 18.127,1049 1.443,1050 11.286,1051 14.268,1052 6.37,1053 21.891,1054 10.867,1055 3.092,1056 10.36,1057 19.948,1058 0.93,1059 12.448,1060 15.799,1061 7.287,1062 24.225,1063 11.993,1064 2.913,1065 10.196,1066 21.776,1067 4.504,1068 13.509,1069 17.235,1070 7.856,1071 26.503,1072 13.007,1073 2.705,1074 9.124,1075 23.61,1076 4.442,1077 14.643,1078 18.744,1079 8.696,1080 28.824,1081 14.104,1082 2.368,1083 8.459,1084 25.448,1085 3.669,1086 15.737,1087 20.212,1088 9.324,1089 31.124,1090 15.153,1091 2.269,1092 6.856,1093 27.29,1094 3.176,1095 16.862,1096 21.712,1097 10.117,1098 33.443,1099 16.24,1100 1.971,1101 6.603,1102 29.135,1103 3.057,1104 17.972,1105 23.195,1106 10.781,1107 35.755,1108 17.309,1109 17213,1110 29333,1111 23.75,1112 40.631,1113 53.991,1114 56.212,1115 55.062,1116 53.934,1117 53.878,1118 69.695,1119 8.597,1120 156.282,1121 51.533,1122 5.644,1123 6.311,1124 6.313,1125 5.161,1126 5.14,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 18.114,1132 1.5,1133 1.561,1134 1.53,1135 1.498,1136 1.497,1137 1.936,1138 0.239,1139 4.341,1140 1.431,1141 4.134,1142 4.166,1143 4.716,1144 4.048,1145 7.718,1146 4.053,1147 4.027,1148 4.041,1149 4.09,1150 3.97,1151 7.427,1152 3.904,1153 3.877,1154 3.891,1155 3.875,1156 3.781,1157 6.999,1158 3.702,1159 3.728,1160 3.743,1161 3.673,1162 3.569,1163 5.037,1164 3.574,1165 3.571,1166 3.632,1167 3.46,1168 3.423,1169 4.957,1170 3.422,1171 3.439,1172 3.497,1173 3.308,1174 3.204,1175 4.755,1176 3.223,1177 3.277,1178 3.337,1179 3.167,1180 3.066,1181 4.562,1182 3.079,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.27,1188 2.91,1189 0.129,1190 0.12,1191 0.182,1192 0.113,1193 0.087,1194 4.644,1195 0.125,1196 4.311,1197 0.057,1198 6.546,1199 0.288,1200 4.077,1201 0.085,1202 3.14,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.939,1208 1.919,1209 2.041,1210 2.073,1211 1.299,1212 2.077,1213 1.932,1214 1.91,1215 2.019,1216 2.024,1217 1.224,1218 2.023,1219 1.743,1220 1.727,1221 1.892,1222 1.935,1223 1.084,1224 1.961,1225 1.649,1226 1.621,1227 1.85,1228 1.846,1229 1.017,1230 1.854,1231 1.628,1232 1.589,1233 1.605,1234 1.769,1235 0.918,1236 1.817,1237 1.351,1238 1.308,1239 1.562,1240 1.623,1241 0.825,1242 1.609,1243 1.265,1244 1.181,1245 1.513,1246 1.536,1247 0.727,1248 1.534,1249 1.153,1250 1.064,1251 1.508,1252 1.376,1253 0.555,1254 1.429,1255 4.29,1257 5.624,1258 2.398,1259 7.135,1260 4.727,1261 8.723,1262 6.823,1263 10.351,1265 1.124,1269 5.682,1271 3.943,1272 2.458,1273 5.79,1276 3.985,1280 38.475,1281 104.627,1282 230.412,1283 287.535,1284 314.405,1285 326.405,1286 326.405,1287 70.693,1288 8.039,1289 120.76,1290 129.14,1291 23,1292 12.633,1293 4.322,1294 3.585,1295 54.905,1296 180,1297 161,1298 0.146,1299 239.489,1300 411.87,1301 576.113,1302 40756,1304 23.424,1305 0.71,1306 0.588,1307 23.674,1308 19.398,1309 15.82,1310 0.439,1311 0.354,1312 10.843,1313 14.392,1314 10.433,1315 8.602,1316 16.747,1317 12.748,1318 15.004,1319 0.294,1320 0.194,1321 16.387,1322 9.886,1323 11.441,1324 0.182,1325 0.1,1326 11.891,1327 6.289,1328 9.578,1329 0.118,1330 0.057,1331 10.113,1332 4.579,1333 7.623,1334 0.077,1335 0.03,1336 7.988,1337 2.99,1338 0.24,1339 109.011,1340 0.205,1341 31.604,1342 0.371,1343 174,1344 527.071,1345 223.228,1346 523.432,1347 702.46,1348 484,1349 201,1350 486.194,1351 257.582,1352 521.426,1353 750.69,1354 487,1355 8.569} {0 CHEMBL12264,1 1.459,2 10.174,3 3.705,4 13.729,5 97.441,6 6.388,7 0.25,8 4.012,9 4.143,10 3.618,11 3.547,12 4.854,13 3.449,14 4.638,15 4.856,16 3.906,17 3.956,18 5.648,19 3.831,20 4.923,21 5.153,22 3.986,23 4.18,24 5.807,25 4.006,26 5.129,27 5.399,28 3.867,29 4.175,30 6.052,31 3.969,32 5.039,33 5.332,34 3.698,35 4.018,36 5.935,37 3.83,38 4.847,39 5.113,40 3.578,41 3.931,42 5.747,43 3.75,44 4.816,45 5.096,46 3.522,47 3.955,48 5.518,49 3.72,50 4.869,51 5.179,52 3.359,53 3.833,54 5.654,55 3.595,56 0.109,57 0.767,58 16.841,59 5.582,60 12.494,61 7.745,62 0.403,63 1.237,64 27.191,65 9.102,66 50.45,67 12.84,68 0.253,69 1.573,70 39.092,71 13.148,72 38.135,73 17.427,74 0.48,75 1.652,76 46.243,77 14.614,78 71.315,79 19.471,80 0.469,81 1.454,82 41.657,83 12.149,84 70.789,85 17.071,86 0.492,87 1.279,88 31.538,89 9.979,90 57.665,91 14.447,92 0.19,93 1.287,94 32.394,95 11.606,96 22.439,97 15.793,98 0.33,99 1.192,100 33.794,101 10.908,102 46.459,103 15.003,104 37,105 34,106 0.248,107 0.487,108 0.74,109 0.812,110 0.829,111 0.829,112 3.188,113 1.252,114 -3.86,115 -3.82,116 -3.62,119 34,120 3,121 3,122 1,124 1,125 3,127 1,140 4,141 1,142 1,169 8,171 3,172 5,178 10,182 7,189 3,192 1,193 12,199 3,203 6,211 5,214 2,215 2,222 7,226 3,233 5,237 7,244 1,249 4,256 4,259 745,260 14.687,261 14.687,262 14.687,263 14.687,264 14.687,265 13.67,266 19.693,267 8.495,268 15.005,269 11.759,270 11.759,271 11.759,272 11.759,273 11.759,274 10.166,275 26.642,276 4.004,277 12.278,278 4.269,279 2.863,280 1.373,281 0.953,282 0.849,283 0.849,284 3.84,287 1,288 1,289 1,290 481,291 4,295 177.633,302 1.501,303 24.468,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 49,315 234,316 4.939,317 4.728,318 7.689,319 4.452,320 3.528,321 4.764,322 0.8,323 13.656,324 3.236,325 3.873,326 2.903,327 5.882,328 3.592,329 2.639,330 3.416,331 0.4,332 7.613,333 2.524,334 3.633,335 2.767,336 5.414,337 3.494,338 2.517,339 2.641,341 7.122,342 2.465,343 3.411,344 2.508,345 5.137,346 3.241,347 2.262,348 2.463,350 6.197,351 2.2,352 3.083,353 2.194,354 4.889,355 3.01,356 2.057,357 2.152,359 5.67,360 1.946,361 2.959,362 1.658,363 4.622,364 2.53,365 1.538,366 2.038,368 4.297,369 1.524,370 2.612,371 1.267,372 3.701,373 2.137,374 1.147,375 1.655,377 2.578,378 1.133,379 2.012,380 1.077,381 3.464,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 0.987,390 3.414,391 1.836,392 0.869,393 0.956,395 2.15,396 0.838,397 1.42,398 0.551,399 3.024,400 1.344,401 0.38,402 0.391,404 0.849,405 0.365,406 1,407 0.052,408 2.645,409 0.758,410 -0.229,411 -0.23,413 -0.483,414 -0.226,415 0.943,416 -0.135,417 2.307,418 0.595,419 -0.403,420 -0.509,422 -0.896,423 -0.402,424 0.772,425 -0.18,426 2,427 0.188,428 -0.775,429 -1,431 -2.166,432 -0.726,433 0.676,434 -0.784,435 2,437 -1,438 -1,440 -2.503,441 -0.946,443 -0.858,444 2,445 -0.029,446 -1,447 -1.076,449 -3,450 -0.966,451 11.3,452 0.491,453 0.783,454 0.034,455 22.75,456 0.989,457 9,458 0.391,459 13.75,460 0.598,461 24.956,462 1.085,463 27.7,464 0.523,465 15.737,466 0.684,467 3.801,468 0.165,469 7.002,470 0.304,471 0.236,472 0.074,473 0.248,479 0.488,480 1.649,481 0.983,482 1.466,483 0.663,484 1.25,485 0.742,486 1.045,487 0.872,488 0.898,489 0.494,490 0.952,491 0.955,492 1.259,493 1.31,494 1.322,495 0.693,496 1.176,497 1.419,498 1.046,499 1.194,500 1.105,501 1.493,502 1.043,503 1.443,504 0.907,505 1.065,506 0.926,507 1.47,508 0.843,509 1.475,510 0.868,511 0.976,512 0.801,513 1.521,514 1.002,515 0.551,516 1.177,517 1.084,518 1.217,519 0.48,520 1.164,521 1.103,522 0.894,523 0.978,524 0.927,525 1.21,526 0.898,527 6.5,528 0.082,529 3.778,530 1.875,531 1.422,532 0.778,533 0.489,534 0.377,535 0.169,536 0.131,537 5344,538 10641,539 1.912,540 56.6,541 7,542 14,547 7,548 2,550 1.655,551 1.736,552 3.318,553 -0.772,555 1,559 77.314,560 1.459,561 2.865,562 4.354,563 4.775,564 4.878,565 4.878,566 2.757,567 4.176,568 4.495,569 3.462,570 875.848,571 7.731,572 10080.9,574 1,576 1,577 303.58,578 1.731,579 4.407,580 0.271,581 0.006,582 0.111,583 0.054,584 0.049,585 0.029,586 0.021,587 0.018,588 0.009,589 0.009,590 0.577,591 0.5,592 1,593 0.702,594 108.36,595 0.199,596 -0.27,597 0.252,598 -0.117,599 -0.136,600 -0.021,601 0.284,602 0.141,603 0.148,604 0.142,605 0.288,606 0.091,607 -0.04,608 -0.105,609 -0.088,610 -0.136,611 0.088,612 -0.109,613 -0.092,614 -0.074,615 -0.085,616 -0.079,617 -0.052,618 -0.077,619 -0.101,620 0.015,621 -0.009,622 0.028,623 -0.045,624 0.083,625 -0.123,626 0.122,627 -0.107,628 0.061,629 -0.163,630 -0.066,631 0.026,632 -0.169,633 -0.078,634 -0.163,635 0.016,636 -0.138,637 -0.052,638 -0.015,639 -0.004,640 0.008,641 -0.068,642 0.036,643 4.324,644 5.732,645 0.522,646 18.877,647 0.987,648 1.135,649 2.627,650 6.9,651 0.627,652 3.219,653 3.555,654 3.738,655 3.829,656 3.97,657 3.807,658 3.784,659 3.689,660 3.638,661 3.584,662 5.971,663 0.567,664 338.57,665 3.219,666 4.762,667 5.587,668 6.454,669 7.3,670 8.169,671 9.025,672 9.895,673 10.756,674 11.628,675 3.8,678 2,688 4,693 2,695 6,714 53,716 8,717 1,718 24,720 54,721 18,722 6,723 2,724 4,730 2,731 2,736 3,740 2,741 1,743 4,745 6,746 12,747 1,750 2,753 1,755 2,761 1,764 30,765 4,767 5,768 1,773 2,777 1,778 2,793 2,815 1,819 2,821 1,823 4,827 23,830 1,833 6,837 2,838 2,847 3.8,850 2,854 13.25,855 10.4,856 5.028,857 3.419,858 1.058,859 1.168,860 0.925,861 6.241,862 7.358,863 3.401,864 3.942,865 4.307,866 4.641,867 5.036,868 4.942,869 5.147,870 4.656,871 4.581,872 4.482,873 0.857,874 35,875 8.801,877 3.829,878 7.67,879 17.052,881 14.266,883 2.17,884 49.917,885 0.001,886 1,887 1,888 353.133,889 97.241,890 4.643,892 44.313,894 5.807,895 91.434,896 397.446,897 4.643,898 34.872,899 13.921,900 43.712,901 44.313,902 9.379,904 353.133,906 353.133,907 96.077,908 44.313,909 5.807,911 247.193,912 150.253,915 45.039,916 51.038,917 5.807,919 353.133,920 48.956,921 97.241,923 5.807,924 353.133,925 18.657,926 77.42,928 44.313,929 353.133,930 48.956,931 97.241,933 0.595,934 0.34,935 0.155,936 0.084,937 15,938 8,939 0.111,940 6,942 1,943 3.41,944 171.343,946 12,947 96.042,950 1,951 18.443,952 7.783,953 4.789,955 48.956,956 7.136,961 1.355,964 499.33,965 29,968 -3.408,970 25.464,975 52.305,976 60.148,977 0.255,978 0.5,979 0.76,980 0.834,981 0.852,982 0.852,983 4.668,984 1,985 5.631,986 2.578,987 4.234,988 4.625,989 0.824,990 6.485,991 4.144,992 5.884,993 0.869,994 7.245,995 2.275,996 4.111,997 4.82,998 0.325,999 7.813,1000 3.921,1001 7.234,1002 0.38,1003 8.985,1004 2.15,1005 5.932,1006 6.881,1007 0.413,1008 10.869,1009 5.71,1010 8.631,1011 -0.229,1012 10.805,1013 0.849,1014 6.608,1015 7.931,1016 0.268,1017 13.073,1018 6.257,1019 10.076,1020 -0.403,1021 12.684,1022 -0.483,1023 8.011,1024 9.627,1025 0.246,1026 15.808,1027 7.615,1028 11.554,1029 -0.775,1030 14.604,1031 -0.896,1032 9.026,1033 11,1034 0.188,1035 18.297,1036 8.499,1037 13.061,1038 -1,1039 16.556,1040 -2.166,1041 10.308,1042 12.6,1043 0.157,1044 20.951,1045 9.713,1046 3.528,1047 -1,1048 18.531,1049 -2.503,1050 11.466,1051 14.089,1052 0.125,1053 23.526,1054 10.752,1055 2.639,1056 13.656,1057 20.524,1058 -3,1059 12.719,1060 15.66,1061 0.102,1062 26.153,1063 11.923,1064 2.517,1065 7.613,1066 22.53,1067 4.764,1068 13.935,1069 17.192,1070 0.082,1071 28.755,1072 13.032,1073 2.262,1074 7.122,1075 24.545,1076 3.416,1077 15.185,1078 18.756,1079 0.067,1080 31.374,1081 14.194,1082 2.057,1083 6.197,1084 26.567,1085 2.641,1086 16.426,1087 20.304,1088 0.054,1089 33.984,1090 15.336,1091 1.538,1092 5.67,1093 28.594,1094 2.463,1095 17.68,1096 21.865,1097 0.043,1098 36.6,1099 16.499,1100 1.147,1101 4.297,1102 30.624,1103 2.152,1104 18.931,1105 23.421,1106 0.035,1107 39.213,1108 17.656,1109 5419,1110 7853,1111 14.909,1112 33.228,1113 35.719,1114 36.59,1115 37.803,1116 35.907,1117 35.875,1118 42.952,1119 2.4,1120 104.814,1121 34.425,1122 5.939,1123 6.728,1124 7.239,1125 5.5,1126 5.528,1127 7.764,1128 1.2,1129 21.853,1130 5.236,1131 14.262,1132 1.488,1133 1.525,1134 1.575,1135 1.496,1136 1.495,1137 1.79,1138 0.1,1139 4.367,1140 1.434,1141 4.096,1142 4.083,1143 4.741,1144 4.079,1145 7.715,1146 3.993,1147 3.886,1148 3.947,1149 3.76,1150 3.747,1151 6.999,1152 3.74,1153 3.743,1154 3.787,1155 3.728,1156 3.642,1157 4.706,1158 3.605,1159 3.534,1160 3.559,1161 3.463,1162 3.428,1163 4.383,1164 3.375,1165 3.287,1166 3.368,1167 3.113,1168 3.083,1169 4.209,1170 3.07,1171 3.135,1172 3.228,1173 2.931,1174 2.979,1175 3.907,1176 2.952,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.877,1182 2.91,1183 3.052,1184 3.136,1185 2.802,1186 2.832,1187 3.742,1188 2.8,1189 0.206,1190 0.197,1191 0.32,1192 0.185,1193 0.147,1194 4.939,1195 0.198,1196 4.728,1197 0.033,1198 7.689,1199 0.569,1200 4.452,1201 0.135,1202 3.528,1203 4.764,1204 0.8,1205 13.656,1206 3.236,1207 1.982,1208 1.986,1209 2.086,1210 2.068,1211 1.45,1212 2.1,1213 1.868,1214 1.807,1215 2.026,1216 2.028,1217 1.298,1218 2.053,1219 1.713,1220 1.666,1221 1.93,1222 1.88,1223 1.17,1224 1.906,1225 1.453,1226 1.44,1227 1.651,1228 1.641,1229 0.875,1230 1.682,1231 1.273,1232 1.192,1233 1.564,1234 1.5,1235 0.825,1236 1.547,1237 1.164,1238 1.081,1239 1.53,1240 1.399,1241 0.734,1242 1.451,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.629,1248 1.429,1249 1.049,1250 0.966,1251 1.464,1252 1.306,1253 0.585,1254 1.367,1255 3.892,1257 5.22,1259 6.742,1261 8.345,1263 9.991,1265 7.919,1271 6.638,1275 0.827,1276 3.984,1280 30.035,1281 77.314,1282 151.859,1283 230.786,1284 253.05,1285 258.56,1286 258.56,1287 59.625,1288 6.301,1289 40.62,1290 49,1291 12,1292 12.172,1293 3.17,1294 2.585,1295 45.423,1296 81,1297 88,1298 0.272,1299 192.576,1300 334.51,1301 461.645,1302 3846,1304 17.035,1305 0.741,1306 0.68,1307 17.285,1308 15.642,1309 10.803,1310 0.45,1311 0.417,1312 8.612,1313 9.686,1314 8.096,1315 6.827,1316 11.591,1317 10.015,1318 10.259,1319 0.302,1320 0.265,1321 11.602,1322 8.997,1323 8.181,1324 0.2,1325 0.171,1326 9.568,1327 6.994,1328 5.581,1329 0.124,1330 0.1,1331 6.665,1332 4.513,1333 4.309,1334 0.083,1335 0.062,1336 5.125,1337 3.203,1338 0.428,1339 74.914,1340 0.259,1341 22.745,1342 0.742,1343 116,1344 285.622,1345 164.691,1346 297.394,1347 398.9,1348 272,1349 133,1350 260.146,1351 189.839,1352 304.32,1353 439.01,1354 282,1355 5.5} {0 CHEMBL122860,1 1.378,2 7.611,3 3.033,4 9.198,5 74.815,6 6.431,7 0.5,8 3.724,9 3.858,10 3.186,11 3.239,12 4.649,13 3.196,14 4.309,15 4.517,16 3.52,17 3.656,18 5.142,19 3.588,20 4.505,21 4.722,22 3.504,23 3.795,24 5.309,25 3.673,26 4.6,27 4.875,28 3.337,29 3.732,30 5.3,31 3.564,32 4.424,33 4.709,34 3.24,35 3.534,36 5.138,37 3.383,38 4.237,39 4.478,40 3.085,41 3.419,42 5.017,43 3.28,44 4.199,45 4.472,46 2.698,47 3.276,48 4.905,49 3.069,50 4.035,51 4.361,52 2.431,53 2.987,54 4.604,55 2.747,56 0.043,57 0.549,58 9.28,59 3.623,60 6.292,61 5.204,62 0.163,63 0.892,64 17.161,65 5.961,66 12.73,67 8.759,68 0.149,69 1.034,70 20.61,71 8.008,72 16.688,73 11.439,74 0.179,75 1.052,76 22.708,77 8.348,78 18.862,79 12.327,80 0.222,81 0.888,82 19.158,83 6.69,84 17.091,85 10.07,86 0.154,87 0.763,88 15.936,89 5.485,90 14.979,91 8.153,92 0.208,93 0.702,94 15.372,95 5.12,96 14.854,97 7.813,98 0.082,99 0.532,100 12.722,101 4.708,102 10.327,103 7.029,104 8,105 28,106 0.251,107 0.588,108 0.795,109 0.824,110 0.824,111 0.824,112 2.961,113 0.996,114 -3.21,115 -3.2,116 -3.07,119 39.5,121 3,124 2,125 2,140 2,141 3,142 1,149 1,150 1,169 6,172 4,176 3,178 6,182 4,186 3,189 6,193 2,197 1,199 4,203 2,206 2,208 1,211 3,215 1,222 2,225 1,226 1,233 1,237 1,249 1,259 344,260 12.223,261 12.223,262 12.223,263 12.223,264 12.223,265 11.093,266 14.286,267 7.274,268 12.523,269 9.903,270 9.903,271 9.903,272 9.903,273 9.903,274 8.063,275 13.808,276 3.492,277 10.362,278 3.87,279 2.02,280 0.882,281 0.724,282 0.724,283 0.724,284 3.642,287 1,288 1,289 1,290 295,291 2.739,294 28.896,295 67.499,298 49.01,299 56.901,302 1.389,303 8.376,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38,315 137,316 4.595,317 3.297,318 6.597,319 4.135,320 3.153,321 4.547,322 0.86,323 10.563,324 3.097,325 4.013,326 2.963,327 6.057,328 3.658,329 2.688,330 3.509,331 0.8,332 8.74,333 2.607,334 3.38,335 2.563,336 5.141,337 3.147,338 2.224,339 2.69,341 6.069,342 2.057,343 3.172,344 2.187,345 4.666,346 2.867,347 1.912,348 2.227,350 5.13,351 1.815,352 2.9,353 1.921,354 4.495,355 2.586,356 1.604,357 2.016,359 4.498,360 1.569,361 2.512,362 1.663,363 3.912,364 2.346,365 1.402,366 1.514,368 3.071,369 1.317,370 2.436,371 1.22,372 3.617,373 2.048,374 1.115,375 1.425,377 2.858,378 1.033,379 1.848,380 0.83,381 3.15,382 1.641,383 0.681,384 0.771,386 1.563,387 0.651,388 1.465,389 0.397,390 2.838,391 1.217,392 0.264,393 0.311,395 0.628,396 0.25,397 0.874,398 -0.201,399 2.658,400 0.487,401 -0.478,402 -0.586,404 -1.265,405 -0.455,406 0.723,407 -0.28,408 2,409 0.416,410 -0.54,411 -0.63,413 -1.418,414 -0.515,415 0.205,416 -0.6,417 2,418 -0.044,419 -1,420 -1,422 -2,423 -0.9,424 0.125,425 -0.658,426 2,427 -0.1,428 -1,429 -1.144,431 -2.705,432 -0.942,434 -0.963,435 1.72,436 -0.118,437 -1.078,438 -1.325,440 -3.012,441 -1.039,442 -0.187,443 -1.249,444 1.23,445 -0.55,446 -1.495,447 -1.723,449 -3.981,450 -1.381,451 8.633,452 0.48,453 0.435,454 0.024,455 20.25,456 1.125,457 8.5,458 0.472,459 11.75,460 0.653,461 14.588,462 0.81,463 20.167,464 0.531,465 11.886,466 0.66,467 3.881,468 0.216,469 4.856,470 0.27,471 0.116,473 0.336,479 0.959,480 1.431,481 0.924,482 1.203,483 0.932,484 1.077,485 1.42,486 0.894,487 0.968,488 0.825,489 0.994,490 0.835,491 1.084,492 1.164,493 1.098,494 1.18,495 1.128,496 1.152,497 0.897,498 1.037,499 0.96,500 1.023,501 1.051,502 1.006,503 0.665,504 0.909,505 0.843,506 0.917,507 0.716,508 0.896,509 1.385,510 1.19,511 1.191,512 1.123,513 1.382,514 1.139,515 1.132,516 1.062,517 1.36,518 1.175,519 1.342,520 1.265,521 0.506,522 1,523 0.792,524 1.023,525 0.521,526 0.954,527 3.5,528 0.025,529 2,530 0.917,531 1.027,532 0.473,533 0.274,534 0.134,535 0.123,536 0.044,537 2759,538 5262,539 2.12,540 52.6,541 2,542 12,543 1,545 1,547 4,550 1.587,551 2,552 2.945,553 -0.334,555 1,557 1,559 52.379,560 1.378,561 3.228,562 4.366,563 4.524,564 4.524,565 4.524,566 2.468,567 3.948,568 4.137,569 3.061,570 468.385,571 7.024,572 4305.91,573 1,574 1,576 1,577 199.421,578 1.352,579 4.109,580 0.175,581 0.012,582 0.071,583 0.035,584 0.049,585 0.025,586 0.017,587 0.015,588 0.018,589 0.009,590 0.426,591 1,592 1,593 1.279,594 75.577,595 0.018,596 -0.185,597 0.081,598 -0.07,599 0.027,601 -0.154,602 0.24,603 0.057,604 0.192,605 0.049,606 0.16,607 -0.084,608 -0.119,609 -0.122,610 -0.129,611 -0.091,612 -0.129,613 -0.022,614 -0.091,615 -0.001,616 -0.042,617 -0.085,618 -0.024,619 0.214,620 0.058,621 0.126,622 0.031,623 0.186,624 0.064,625 -0.175,626 -0.168,627 -0.193,628 -0.143,629 -0.22,630 -0.17,631 -0.09,632 -0.061,633 -0.381,634 -0.243,635 -0.298,636 -0.326,637 0.148,638 -0.175,639 0.134,640 -0.084,641 0.247,642 0.008,643 0.643,644 2.257,645 0.722,646 12.568,647 0.986,648 1.13,649 1.978,650 3.914,651 0.64,652 3.045,653 3.367,654 3.638,655 3.932,656 4.19,657 4.29,658 4.431,659 4.543,660 4.489,661 4.331,662 4.607,663 0.592,664 244.37,665 3.045,666 4.575,667 5.425,668 6.308,669 7.186,670 8.079,671 8.969,672 9.866,673 10.762,674 11.662,675 5.3,678 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 38,716 10,717 1,718 20,720 40,721 15,722 8,723 4,724 2,730 3,731 6,740 2,743 3,745 8,746 7,761 1,764 20,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 18,833 5,835 1,838 1,847 2.6,852 1,854 9,855 7.367,856 3.917,857 2.375,858 2.133,859 1.318,860 0.998,861 3.205,862 8.837,863 3.258,864 3.876,865 4.507,866 5.152,867 5.701,868 6.099,869 6.499,870 6.837,871 6.776,872 6.758,873 1,874 26,875 6.674,877 2.774,878 7.38,879 13.365,881 11.168,883 1.88,884 33.833,885 0.004,888 223.651,889 75.426,890 19.91,892 11,895 75.426,896 234.651,897 19.91,898 16.793,899 14.302,900 28,902 45.097,903 13.915,904 211.88,906 223.651,907 95.336,908 11,911 176.567,912 58.084,915 34.212,916 61.124,919 223.651,920 30.91,921 75.426,924 223.651,925 30.633,926 47.917,927 16.786,928 11,929 223.651,930 30.91,931 75.426,933 0.579,934 0.322,935 0.177,936 0.105,937 15,938 6,939 0.075,940 3,941 2,942 1.308,943 3.085,944 131.703,945 0.308,946 13,947 73.059,951 11.908,952 4.845,953 2.374,954 2.561,955 14.124,956 6.605,958 3.388,961 3.81,963 16.786,964 329.987,965 25,975 37.483,976 42.943,977 0.263,978 0.615,979 0.832,980 0.862,981 0.862,982 0.862,983 4.494,984 0.681,985 5.407,986 2.858,987 4.043,988 4.559,989 1.235,990 6.217,991 3.966,992 5.693,993 0.264,994 6.959,995 1.563,996 3.611,997 4.477,998 0.325,999 7.111,1000 3.514,1001 7.005,1002 -0.478,1003 8.613,1004 0.628,1005 5.624,1006 6.832,1007 0.938,1008 10.219,1009 5.496,1010 8.36,1011 -0.54,1012 10.328,1013 -1.265,1014 6.019,1015 7.637,1016 0.268,1017 11.968,1018 5.883,1019 9.754,1020 -1,1021 12.082,1022 -1.418,1023 7.507,1024 9.476,1025 0.732,1026 14.582,1027 7.346,1028 11.174,1029 -1,1030 13.865,1031 -2,1032 8.295,1033 10.677,1034 0.188,1035 16.678,1036 8.129,1037 12.617,1038 -1.078,1039 15.669,1040 -2.705,1041 9.568,1042 12.315,1043 0.57,1044 19.119,1045 9.381,1046 3.153,1047 -1.495,1048 17.487,1049 -3.012,1050 10.544,1051 13.69,1052 0.125,1053 21.358,1054 10.349,1055 2.688,1056 10.563,1057 19.317,1058 -3.981,1059 11.729,1060 15.25,1061 0.438,1062 23.737,1063 11.516,1064 2.224,1065 8.74,1066 21.156,1067 4.547,1068 12.792,1069 16.701,1070 0.082,1071 26.037,1072 12.568,1073 1.912,1074 6.069,1075 23.002,1076 3.509,1077 13.944,1078 18.231,1079 0.334,1080 28.395,1081 13.704,1082 1.604,1083 5.13,1084 24.854,1085 2.69,1086 15.048,1087 19.716,1088 0.054,1089 30.722,1090 14.794,1091 1.402,1092 4.498,1093 26.71,1094 2.227,1095 16.19,1096 21.234,1097 0.252,1098 33.074,1099 15.92,1100 1.115,1101 3.071,1102 28.569,1103 2.016,1104 17.313,1105 22.735,1106 0.035,1107 35.415,1108 17.028,1109 2725,1110 3842,1111 13.523,1112 24.319,1113 30.147,1114 30.228,1115 30.548,1116 30.1,1117 30.087,1118 38.019,1119 3.32,1120 86.238,1121 28.794,1122 5.539,1123 5.297,1124 6.281,1125 5.218,1126 5.153,1127 7.547,1128 1.72,1129 17.404,1130 5.097,1131 7.377,1132 1.507,1133 1.511,1134 1.527,1135 1.505,1136 1.504,1137 1.901,1138 0.166,1139 4.312,1140 1.44,1141 4.148,1142 4.178,1143 4.108,1144 4.065,1145 4.987,1146 4.072,1147 3.732,1148 3.786,1149 3.624,1150 3.591,1151 4.602,1152 3.591,1153 3.612,1154 3.695,1155 3.462,1156 3.391,1157 4.314,1158 3.395,1159 3.232,1160 3.306,1161 3.065,1162 3.09,1163 3.939,1164 3.075,1165 3.108,1166 3.19,1167 2.966,1168 2.909,1169 3.828,1170 2.914,1171 2.982,1172 3.049,1173 2.782,1174 2.795,1175 3.654,1176 2.779,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.657,1184 2.747,1185 2.433,1186 2.445,1187 3.36,1188 2.425,1189 0.23,1190 0.165,1191 0.33,1192 0.207,1193 0.158,1194 4.595,1195 0.227,1196 3.297,1197 0.043,1198 6.597,1199 0.528,1200 4.135,1201 0.155,1202 3.153,1203 4.547,1204 0.86,1205 10.563,1206 3.097,1207 1.982,1208 1.964,1209 2.079,1210 2.077,1211 1.34,1212 2.078,1213 1.706,1214 1.648,1215 1.923,1216 1.907,1217 1.199,1218 1.918,1219 1.527,1220 1.466,1221 1.756,1222 1.732,1223 0.98,1224 1.735,1225 1.449,1226 1.367,1227 1.685,1228 1.677,1229 0.781,1230 1.693,1231 1.084,1232 0.995,1233 1.417,1234 1.33,1235 0.52,1236 1.366,1237 0.943,1238 0.873,1239 1.406,1240 1.239,1241 0.484,1242 1.308,1243 0.934,1244 0.804,1245 1.273,1246 1.2,1247 0.469,1248 1.225,1249 0.747,1250 0.7,1251 0.994,1252 0.934,1253 0.161,1254 0.954,1255 3.714,1257 5.03,1258 2.398,1259 6.544,1260 4.727,1261 8.155,1262 6.823,1263 9.823,1265 4.222,1271 5.274,1273 5.757,1276 2.216,1280 22.499,1281 52.379,1282 122.666,1283 165.911,1284 171.911,1285 171.911,1286 171.911,1287 19.244,1288 6.704,1289 28.26,1290 28.26,1291 17,1292 12.185,1293 3.459,1294 2.585,1295 25.741,1296 49,1297 49,1298 0.27,1299 138.351,1300 229.41,1301 329.336,1302 6298,1304 12.535,1305 0.696,1306 0.618,1307 12.535,1308 11.123,1309 8.737,1310 0.437,1311 0.332,1312 6.551,1313 8.417,1314 6.317,1315 5.264,1316 8.737,1317 6.643,1318 8.009,1319 0.286,1320 0.19,1321 8.009,1322 5.325,1323 6.481,1324 0.175,1325 0.098,1326 6.481,1327 3.625,1328 5.468,1329 0.109,1330 0.052,1331 5.468,1332 2.578,1333 4.641,1334 0.071,1335 0.029,1336 4.641,1337 1.882,1338 0.408,1339 54.567,1340 0.272,1341 17.901,1342 0.779,1343 96,1344 223.714,1345 102.679,1346 216.875,1347 305.17,1348 206,1349 113,1350 228.835,1351 120.485,1352 235.474,1353 344.64,1354 220,1355 5.921} {0 CHEMBL1241546,1 1.466,2 14,3 4.393,4 19.301,5 132.129,6 7.223,7 0.579,8 4.226,9 4.354,10 3.797,11 3.766,12 5.239,13 3.745,14 4.798,15 4.987,16 4.177,17 4.179,18 5.729,19 4.146,20 5.035,21 5.247,22 4.259,23 4.353,24 5.93,25 4.289,26 5.152,27 5.379,28 4.18,29 4.394,30 6.014,31 4.287,32 5.17,33 5.432,34 4.027,35 4.355,36 5.92,37 4.212,38 5.085,39 5.354,40 3.911,41 4.251,42 5.827,43 4.099,44 4.989,45 5.261,46 3.785,47 4.11,48 5.733,49 3.966,50 4.843,51 5.097,52 3.667,53 4.011,54 5.576,55 3.86,56 0.078,57 0.962,58 13.126,59 5.488,60 9.773,61 7.482,62 0.222,63 1.593,64 25.617,65 8.859,66 20.11,67 12.64,68 0.361,69 1.948,70 33.336,71 11.319,72 28.771,73 16.38,74 0.452,75 2.056,76 38.459,77 13.741,78 39.973,79 19.606,80 0.41,81 1.998,82 40.563,83 14.744,84 35.54,85 21.383,86 0.292,87 1.865,88 36.985,89 13.348,90 30.83,91 19.735,92 0.399,93 1.659,94 34.373,95 11.583,96 33.098,97 16.977,98 0.325,99 1.452,100 28.969,101 10.399,102 23.219,103 15.087,104 5,105 55,106 0.234,107 0.549,108 0.719,109 0.827,110 0.853,111 0.853,112 3.532,113 0.921,114 -4.24,115 -4.18,116 -3.95,119 42.6,120 2,121 1,125 6,140 8,141 2,142 3,144 3,150 1,164 2,169 8,171 1,172 10,178 8,181 2,182 13,189 6,192 3,193 11,199 6,202 1,203 8,211 3,214 1,215 7,222 3,225 2,226 3,233 4,236 2,237 1,244 4,248 1,249 4,256 6,259 1777,260 22.878,261 22.878,262 22.878,263 22.878,264 22.878,265 20.227,266 27.561,267 13.24,268 23.382,269 18.762,270 18.762,271 18.762,272 18.762,273 18.762,274 14.743,275 33.102,276 6.252,277 19.59,278 4.464,279 2.493,280 1.422,281 0.746,282 0.582,283 0.582,284 4.257,289 1,290 1055,291 2.828,294 67.889,295 404.976,298 113.518,299 268.211,302 2,303 18.174,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70,315 462,316 4.6,317 3.497,318 6.871,319 4.208,320 3.255,321 4.474,322 1.151,323 11.46,324 3.1,325 4.551,326 3.28,327 6.695,328 4.108,329 3.139,330 4.315,331 0.8,332 10.856,333 3.046,334 4.156,335 3.011,336 6.273,337 3.757,338 2.786,339 3.779,340 0.8,341 9.328,342 2.705,343 3.856,344 2.865,345 5.807,346 3.577,347 2.64,348 3.249,350 8.002,351 2.469,352 3.547,353 2.642,354 5.487,355 3.315,356 2.377,357 2.747,359 6.975,360 2.231,361 3.428,362 2.369,363 5.312,364 3.089,365 2.117,366 2.712,368 6.639,369 2.056,370 3.316,371 2.255,372 4.962,373 2.985,374 2.025,375 2.475,377 5.732,378 1.937,379 3.029,380 2.142,381 4.592,382 2.583,383 1.638,384 2.245,386 4.511,387 1.563,388 2.949,389 1.682,390 4.549,391 2.554,392 1.596,393 2.115,395 4.273,396 1.504,397 2.792,398 1.635,399 4.261,400 2.415,401 1.432,402 1.871,404 3.859,405 1.404,406 2.716,407 1.476,408 4.036,409 2.324,410 1.356,411 1.787,413 3.463,414 1.311,415 2.677,416 1.412,417 3.867,418 2.282,419 1.309,420 1.735,422 3.107,423 1.266,424 2.261,425 1.146,426 3.414,427 1.967,428 1,429 1.176,431 2.275,432 0.965,433 2.055,434 0.983,435 3.392,436 1.86,437 0.881,438 1,440 2.089,441 0.86,442 2,443 0.898,444 3.339,445 1.745,446 0.783,447 0.976,449 1.883,450 0.749,451 15.733,452 0.477,453 0.76,454 0.023,455 43.25,456 1.311,457 21,458 0.636,459 22.25,460 0.674,461 30.019,462 0.91,463 34.667,464 0.568,465 30.887,466 0.936,467 8.453,468 0.256,469 7.717,470 0.234,471 0.064,473 0.362,479 0.759,480 1.315,481 0.776,482 1.119,483 0.721,484 0.979,485 1.248,486 1.167,487 0.86,488 0.918,489 0.841,490 0.852,491 1.178,492 1.037,493 1.016,494 0.968,495 0.965,496 0.962,497 1.149,498 1.07,499 1.13,500 1.122,501 1.069,502 1.129,503 0.962,504 0.962,505 1.019,506 1.003,507 0.951,508 1.024,509 0.741,510 1.048,511 1.032,512 1.108,513 0.927,514 1.101,515 1.159,516 0.903,517 1.096,518 0.983,519 1.179,520 1.027,521 0.988,522 1.067,523 1.15,524 1.148,525 0.989,526 1.173,527 5.5,528 0.156,529 4.444,530 2.257,531 1.907,532 1.011,533 0.62,534 0.412,535 0.225,536 0.219,537 18545,538 41289,539 2.222,540 45.9,542 20,546 6,547 2,550 1.746,551 2.129,552 3.723,553 -0.781,559 89.448,560 1.466,561 3.438,562 4.509,563 5.185,564 5.349,565 5.349,566 3.173,567 4.923,568 5.021,569 3.908,570 2063.28,571 8.753,572 31607.8,574 1,577 361.775,578 1.234,579 4.997,580 0.145,581 0.006,582 0.081,583 0.039,584 0.037,585 0.023,586 0.016,587 0.012,588 0.008,589 0.008,590 0.375,591 0.33,592 0.88,593 0.398,594 177.277,595 0.16,596 -0.132,597 0.104,598 -0.083,599 0.117,600 -0.014,601 -0.065,602 -0.053,603 0.095,604 0.058,605 0.083,606 0.09,607 -0.062,608 0.05,609 -0.052,610 -0.003,611 0.003,612 -0.016,613 -0.012,614 -0.066,615 -0.153,616 -0.133,617 -0.002,618 -0.156,619 -0.035,620 -0.034,621 -0.032,622 0.003,623 -0.065,624 -0.016,625 0.004,626 -0.101,627 -0.056,628 -0.114,629 -0.097,630 -0.095,631 -0.084,632 0.042,633 -0.086,634 -0.016,635 -0.188,636 -0.046,637 -0.012,638 -0.118,639 -0.165,640 -0.155,641 -0.131,642 -0.18,643 0.971,644 2.651,645 0.879,646 33.359,647 0.994,648 1.127,649 3.006,650 9.037,651 0.67,652 3.664,653 4.025,654 4.369,655 4.682,656 4.949,657 5.05,658 5.22,659 5.347,660 5.429,661 5.481,662 8.065,663 0.633,664 440.6,665 3.664,666 5.231,667 6.116,668 7.017,669 7.914,670 8.818,671 9.72,672 10.626,673 11.529,674 12.436,675 9.8,678 1,681 1,683 1,685 3,687 2,688 8,689 3,693 7,694 1,695 22,709 1,712 1,714 61,716 22,717 2,718 38,720 66,721 26,722 17,723 6,724 6,730 6,731 10,736 2,743 1,745 17,746 9,764 28,765 6,767 7,773 6,777 0.5,778 1,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 2,827 33,833 7,835 1,838 2,844 1,847 1.6,852 1,854 15.5,855 11.783,856 7.056,857 3.873,858 4.462,859 1.498,860 1.036,861 5.279,862 13.431,863 3.912,864 4.557,865 5.199,866 5.818,867 6.355,868 6.661,869 7.054,870 7.41,871 7.695,872 7.721,873 1,874 58,875 12.205,877 5.25,878 7.439,879 24.146,881 20.61,883 1.939,884 64,888 329.591,889 138.046,890 58.014,892 11,895 138.046,896 340.591,897 58.014,898 17.65,899 17.655,900 75.81,901 49.989,902 43.198,903 2.757,904 329.591,906 329.591,907 196.06,908 11,911 306.049,912 34.542,915 47.864,916 98.207,917 49.989,919 329.591,920 69.014,921 138.046,924 329.591,925 44.585,926 101.486,928 60.989,929 329.591,930 69.014,931 138.046,933 0.59,934 0.358,935 0.202,936 0.112,937 30,938 12,939 0.061,940 4,941 3,942 1.207,943 4.527,944 321.855,945 0.207,946 29,947 160.465,951 20.644,952 8.438,953 3.774,954 2.321,955 67.238,956 17.101,957 13.237,961 7.515,962 1.928,964 536.651,965 49,975 60.658,976 68.766,977 0.247,978 0.58,979 0.76,980 0.874,981 0.902,982 0.902,983 5.173,984 1.638,985 6.107,986 5.732,987 4.71,988 5.244,989 1.717,990 6.959,991 4.625,992 6.384,993 1.596,994 7.688,995 4.511,996 4.29,997 5.085,998 0.57,999 7.934,1000 4.156,1001 7.704,1002 1.432,1003 9.369,1004 4.273,1005 6.34,1006 7.491,1007 1.692,1008 11.071,1009 6.172,1010 9.062,1011 1.356,1012 11.112,1013 3.859,1014 6.77,1015 8.204,1016 0.479,1017 12.899,1018 6.552,1019 10.455,1020 1.309,1021 12.895,1022 3.463,1023 8.268,1024 10.066,1025 1.822,1026 15.552,1027 8.017,1028 11.874,1029 1,1030 14.706,1031 3.107,1032 9.09,1033 11.185,1034 0.346,1035 17.721,1036 8.794,1037 13.312,1038 0.881,1039 16.537,1040 2.275,1041 10.37,1042 12.826,1043 2.014,1044 20.215,1045 10.039,1046 3.255,1047 0.783,1048 18.383,1049 2.089,1050 11.374,1051 14.135,1052 0.237,1053 22.525,1054 10.999,1055 3.139,1056 11.46,1057 20.242,1058 1.883,1059 12.57,1060 15.682,1061 2.237,1062 24.966,1063 12.159,1064 2.786,1065 10.856,1066 22.109,1067 4.474,1068 13.657,1069 17.08,1070 0.158,1071 27.335,1072 13.202,1073 2.64,1074 9.328,1075 23.985,1076 4.315,1077 14.823,1078 18.587,1079 2.479,1080 29.759,1081 14.33,1082 2.377,1083 8.002,1084 25.866,1085 3.779,1086 15.948,1087 20.028,1088 0.104,1089 32.154,1090 15.412,1091 2.117,1092 6.975,1093 27.753,1094 3.249,1095 17.106,1096 21.519,1097 2.733,1098 34.574,1099 16.53,1100 2.025,1101 6.639,1102 29.643,1103 2.747,1104 18.249,1105 22.981,1106 0.068,1107 36.983,1108 17.63,1109 16600,1110 24951,1111 26.353,1112 40.864,1113 58.053,1114 57.939,1115 59.405,1116 57.812,1117 57.781,1118 74.583,1119 5.502,1120 171.556,1121 55.38,1122 5.6,1123 5.497,1124 6.401,1125 5.318,1126 5.255,1127 7.474,1128 2.302,1129 18.992,1130 5.1,1131 11.41,1132 1.528,1133 1.525,1134 1.563,1135 1.521,1136 1.521,1137 1.963,1138 0.145,1139 4.515,1140 1.457,1141 4.108,1142 4.146,1143 4.068,1144 4.018,1145 5.125,1146 4.024,1147 4.054,1148 4.091,1149 4.023,1150 3.931,1151 4.981,1152 3.946,1153 3.814,1154 3.884,1155 3.723,1156 3.631,1157 4.723,1158 3.647,1159 3.713,1160 3.764,1161 3.637,1162 3.567,1163 4.441,1164 3.576,1165 3.515,1166 3.569,1167 3.411,1168 3.413,1169 4.311,1170 3.405,1171 3.333,1172 3.407,1173 3.181,1174 3.186,1175 4.278,1176 3.174,1177 3.158,1178 3.226,1179 3.011,1180 2.952,1181 3.973,1182 2.94,1183 3.111,1184 3.206,1185 2.944,1186 2.941,1187 3.857,1188 2.931,1189 0.121,1190 0.092,1191 0.181,1192 0.111,1193 0.086,1194 4.6,1195 0.118,1196 3.497,1197 0.03,1198 6.871,1199 0.302,1200 4.208,1201 0.082,1202 3.255,1203 4.474,1204 1.151,1205 11.46,1206 3.1,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.359,1212 2.144,1213 1.953,1214 1.929,1215 2.052,1216 2.077,1217 1.251,1218 2.067,1219 1.747,1220 1.679,1221 1.94,1222 1.959,1223 1.165,1224 1.958,1225 1.588,1226 1.542,1227 1.779,1228 1.743,1229 0.995,1230 1.757,1231 1.52,1232 1.472,1233 1.731,1234 1.667,1235 0.836,1236 1.689,1237 1.362,1238 1.291,1239 1.628,1240 1.592,1241 0.825,1242 1.598,1243 1.213,1244 1.136,1245 1.513,1246 1.475,1247 0.799,1248 1.482,1249 1.153,1250 1.064,1251 1.488,1252 1.376,1253 0.61,1254 1.429,1255 4.344,1257 5.694,1258 2.398,1259 7.251,1260 4.727,1261 8.903,1262 6.823,1263 10.605,1265 4.026,1271 6.67,1273 6.151,1276 5.051,1280 38.638,1281 89.448,1282 209.727,1283 275.046,1284 316.265,1285 326.265,1286 326.265,1287 39.233,1288 8.968,1289 59.31,1290 59.31,1291 35,1292 12.954,1293 4.524,1294 3.585,1295 43.608,1296 165,1297 145,1298 0.129,1299 231.299,1300 388.99,1301 556.13,1302 126865,1304 22.363,1305 0.678,1306 0.581,1307 22.363,1308 19.16,1309 16.17,1310 0.426,1311 0.307,1312 11.514,1313 15.555,1314 11.2,1315 9.22,1316 16.17,1317 11.671,1318 14.773,1319 0.269,1320 0.163,1321 14.773,1322 8.963,1323 13.296,1324 0.17,1325 0.088,1326 13.296,1327 6.873,1328 11.641,1329 0.109,1330 0.047,1331 11.641,1332 4.985,1333 9.823,1334 0.07,1335 0.026,1336 9.823,1337 3.625,1338 0.208,1339 100.969,1340 0.195,1341 31.032,1342 0.336,1343 186,1344 465.606,1345 202.337,1346 454.467,1347 652.21,1348 432,1349 226,1350 513.717,1351 245.694,1352 517.284,1353 764.85,1354 489,1355 9.9} {0 CHEMBL1241547,1 1.424,2 14,3 4.419,4 19.529,5 131.132,6 7.09,7 0.579,8 4.235,9 4.36,10 3.79,11 3.786,12 5.22,13 3.759,14 4.812,15 5.002,16 4.175,17 4.2,18 5.735,19 4.161,20 5.052,21 5.267,22 4.241,23 4.376,24 5.94,25 4.301,26 5.144,27 5.368,28 4.159,29 4.424,30 5.948,31 4.305,32 5.183,33 5.438,34 4.05,35 4.395,36 5.933,37 4.248,38 5.152,39 5.425,40 3.918,41 4.294,42 5.875,43 4.132,44 5.01,45 5.284,46 3.783,47 4.132,48 5.735,49 3.98,50 4.863,51 5.121,52 3.661,53 4.034,54 5.58,55 3.878,56 0.041,57 0.944,58 13.549,59 5.596,60 8.278,61 7.728,62 0.241,63 1.602,64 26.408,65 9.152,66 21.383,67 13.058,68 0.445,69 1.968,70 34.461,71 11.751,72 33.706,73 17.006,74 0.293,75 2.028,76 37.936,77 14.815,78 29.762,79 20.819,80 0.362,81 2.053,82 40.581,83 15.399,84 33.267,85 22.167,86 0.339,87 1.965,88 40.023,89 14.684,90 33.748,91 21.402,92 0.36,93 1.704,94 35.062,95 12.135,96 31.674,97 17.728,98 0.337,99 1.487,100 29.708,101 10.784,102 23.645,103 15.59,104 5,105 55,106 0.227,107 0.54,108 0.725,109 0.831,110 0.856,111 0.856,112 3.532,113 0.931,114 -4.38,115 -4.32,116 -4.07,119 43.5,120 2,121 1,125 6,140 8,141 2,142 3,144 3,149 1,159 1,169 8,171 1,172 10,178 8,181 3,182 11,189 6,192 1,193 8,199 6,202 1,203 7,211 3,214 1,215 7,222 3,225 1,226 3,233 4,236 2,237 1,244 4,248 1,249 4,256 6,259 1781,260 22.825,261 22.825,262 22.825,263 22.825,264 22.825,265 20.203,266 29.129,267 13.256,268 23.381,269 18.795,270 18.795,271 18.795,272 18.795,273 18.795,274 14.772,275 37.645,276 6.303,277 19.731,278 4.53,279 2.558,280 1.399,281 0.734,282 0.573,283 0.573,284 4.257,289 1,290 1055,291 2.828,294 67.867,295 405.897,298 113.695,299 268.888,302 2,303 17.231,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 69.5,315 462,316 4.578,317 3.472,318 6.82,319 4.173,320 3.232,321 4.474,322 1.151,323 11.308,324 3.047,325 4.551,326 3.28,327 6.695,328 4.108,329 3.139,330 4.289,331 0.8,332 10.856,333 3.044,334 4.113,335 2.959,336 6.121,337 3.695,338 2.74,339 3.732,340 0.8,341 8.937,342 2.611,343 3.856,344 2.853,345 5.807,346 3.573,347 2.635,348 3.249,350 8.001,351 2.465,352 3.542,353 2.638,354 5.347,355 3.31,356 2.373,357 2.741,359 6.914,360 2.224,361 3.408,362 2.318,363 5.221,364 3.054,365 2.085,366 2.694,368 6.244,369 2.018,370 3.313,371 2.274,372 4.961,373 2.976,374 2.016,375 2.476,377 5.729,378 1.93,379 3.111,380 2.244,381 4.76,382 2.78,383 1.83,384 2.287,386 5.126,387 1.735,388 3.028,389 1.904,390 4.562,391 2.578,392 1.604,393 2.241,395 4.502,396 1.561,397 2.898,398 1.649,399 4.438,400 2.468,401 1.523,402 2.055,404 4.137,405 1.432,406 2.778,407 1.477,408 4.036,409 2.399,410 1.419,411 1.847,413 3.464,414 1.387,415 2.568,416 1.372,417 3.864,418 2.199,419 1.251,420 1.588,422 3.043,423 1.177,424 2.257,425 1.146,426 3.414,427 1.967,428 1,429 1.168,431 2.275,432 0.965,433 2,434 0.915,435 3.386,436 1.834,437 0.857,438 1,440 2.05,441 0.836,442 1.956,443 0.761,444 3.326,445 1.635,446 0.672,447 0.837,449 1.727,450 0.644,451 15.833,452 0.48,453 0.777,454 0.024,455 43.75,456 1.326,457 21,458 0.636,459 22.75,460 0.689,461 29.846,462 0.904,463 34.567,464 0.558,465 31.001,466 0.939,467 8.469,468 0.257,469 7.684,470 0.233,471 0.063,473 0.36,479 0.895,480 1.451,481 0.8,482 1.137,483 0.832,484 0.987,485 1.343,486 1.134,487 0.889,488 0.893,489 0.886,490 0.846,491 1.228,492 0.938,493 1.064,494 0.916,495 1.085,496 0.95,497 1.058,498 1.103,499 1.08,500 1.152,501 0.93,502 1.132,503 0.903,504 1.015,505 1.041,506 1.061,507 0.934,508 1.069,509 0.911,510 1.024,511 1.036,512 1.064,513 1.038,514 1.066,515 1.2,516 0.952,517 1.08,518 0.982,519 1.203,520 1.014,521 1.055,522 1.018,523 1.153,524 1.091,525 1.035,526 1.131,527 6,528 0.156,529 4,530 2.257,531 1.947,532 1.028,533 0.62,534 0.412,535 0.225,536 0.219,537 18555,538 39701,539 2.222,540 46.8,542 20,543 1,546 6,547 2,550 1.746,551 2.129,552 3.725,553 -0.811,559 88.287,560 1.424,561 3.396,562 4.555,563 5.22,564 5.381,565 5.381,566 3.173,567 4.802,568 5.021,569 3.908,570 2063.66,571 8.754,572 31627.4,574 1,577 369.16,578 1.234,579 4.997,580 0.158,581 0.006,582 0.073,583 0.04,584 0.038,585 0.023,586 0.016,587 0.012,588 0.008,589 0.008,590 0.381,591 0.33,592 0.88,593 0.398,594 177.293,595 0.042,596 -0.287,597 0.099,598 -0.107,599 0.027,600 -0.017,601 -0.067,602 -0.01,603 0.084,604 0.069,605 0.101,606 0.089,607 -0.024,608 0.163,609 -0.083,610 0.036,611 -0.019,612 -0.013,613 -0.051,614 -0.119,615 -0.116,616 -0.141,617 -0.011,618 -0.138,619 -0.011,620 -0.065,621 -0.064,622 -0.059,623 -0.054,624 -0.068,625 -0.015,626 -0.088,627 -0.045,628 -0.079,629 -0.11,630 -0.069,631 -0.095,632 0.002,633 -0.069,634 -0.02,635 -0.184,636 -0.039,637 -0.023,638 -0.055,639 -0.162,640 -0.111,641 -0.144,642 -0.148,643 0.962,644 2.642,645 0.879,646 33.423,647 0.991,648 1.124,649 3.155,650 9.951,651 0.671,652 3.664,653 4.025,654 4.357,655 4.682,656 4.956,657 5.043,658 5.209,659 5.357,660 5.434,661 5.476,662 8.067,663 0.631,664 439.61,665 3.664,666 5.231,667 6.111,668 7.013,669 7.907,670 8.812,671 9.711,672 10.616,673 11.518,674 12.424,675 8.1,678 1,681 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,709 1,712 1,714 62,716 22,717 2,718 38,720 67,721 27,722 18,723 6,724 6,730 6,731 10,736 2,743 1,745 18,746 9,764 29,765 5,767 6,770 1,773 5,777 0.5,778 1,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 2,827 33,833 7,835 1,838 2,847 1.6,852 1,854 15.5,855 11.917,856 7.028,857 3.931,858 4.452,859 1.496,860 1.041,861 5.317,862 13.42,863 3.912,864 4.557,865 5.191,866 5.82,867 6.362,868 6.656,869 7.049,870 7.416,871 7.697,872 7.72,873 1,874 57,875 12.22,877 5.251,878 7.409,879 24.276,881 20.764,883 1.909,884 63,888 341.362,889 146.664,890 41.719,892 11,895 146.664,896 352.362,897 41.719,898 17.65,899 17.655,900 84.857,901 35.899,902 43.321,903 11.771,904 329.591,906 341.362,907 188.383,908 11,911 317.82,912 34.542,915 50.315,916 104.497,917 33.571,919 341.362,920 52.719,921 146.664,924 341.362,925 44.156,926 110.656,928 44.571,929 341.362,930 52.719,931 146.664,933 0.589,934 0.352,935 0.202,936 0.115,937 30,938 12,939 0.06,940 4,941 3,942 1.207,943 4.533,944 321.458,945 0.207,946 29,947 155.71,951 20.705,952 8.475,953 3.898,954 2.332,955 50.82,956 19.357,957 9.281,961 7.78,962 2.178,964 540.745,965 49,975 61.44,976 69.683,977 0.239,978 0.57,979 0.765,980 0.877,981 0.904,982 0.904,983 5.173,984 1.83,985 6.103,986 5.729,987 4.71,988 5.244,989 1.717,990 6.948,991 4.614,992 6.384,993 1.604,994 7.676,995 5.126,996 4.29,997 5.085,998 0.57,999 7.895,1000 4.14,1001 7.702,1002 1.523,1003 9.35,1004 4.502,1005 6.333,1006 7.486,1007 1.692,1008 11.031,1009 6.141,1010 9.056,1011 1.419,1012 11.083,1013 4.137,1014 6.746,1015 8.185,1016 0.479,1017 12.834,1018 6.496,1019 10.445,1020 1.251,1021 12.856,1022 3.464,1023 8.246,1024 10.051,1025 1.822,1026 15.485,1027 7.958,1028 11.859,1029 1,1030 14.658,1031 3.043,1032 9.053,1033 11.158,1034 0.346,1035 17.64,1036 8.709,1037 13.293,1038 0.857,1039 16.48,1040 2.275,1041 10.334,1042 12.801,1043 2.014,1044 20.13,1045 9.952,1046 3.232,1047 0.672,1048 18.319,1049 2.05,1050 11.327,1051 14.103,1052 0.237,1053 22.429,1054 10.893,1055 3.139,1056 11.308,1057 20.17,1058 1.727,1059 12.522,1060 15.651,1061 2.237,1062 24.863,1063 12.047,1064 2.74,1065 10.856,1066 22.031,1067 4.474,1068 13.601,1069 17.046,1070 0.158,1071 27.224,1072 13.077,1073 2.635,1074 8.937,1075 23.9,1076 4.289,1077 14.764,1078 18.553,1079 2.479,1080 29.64,1081 14.198,1082 2.373,1083 8.001,1084 25.776,1085 3.732,1086 15.883,1087 19.992,1088 0.104,1089 32.026,1090 15.268,1091 2.085,1092 6.914,1093 27.658,1094 3.249,1095 17.038,1096 21.482,1097 2.733,1098 34.437,1099 16.378,1100 2.016,1101 6.244,1102 29.544,1103 2.741,1104 18.176,1105 22.943,1106 0.068,1107 36.837,1108 17.468,1109 16608,1110 24449,1111 26.353,1112 41.62,1113 58.057,1114 57.962,1115 59.205,1116 57.771,1117 57.781,1118 74.565,1119 5.502,1120 171.178,1121 55.077,1122 5.578,1123 5.472,1124 6.35,1125 5.283,1126 5.232,1127 7.474,1128 2.302,1129 18.75,1130 5.047,1131 11.432,1132 1.528,1133 1.525,1134 1.558,1135 1.52,1136 1.521,1137 1.962,1138 0.145,1139 4.505,1140 1.449,1141 4.113,1142 4.15,1143 4.072,1144 4.02,1145 5.02,1146 4.026,1147 4.061,1148 4.095,1149 4.027,1150 3.947,1151 4.974,1152 3.962,1153 3.82,1154 3.886,1155 3.729,1156 3.657,1157 4.653,1158 3.669,1159 3.723,1160 3.771,1161 3.641,1162 3.577,1163 4.441,1164 3.585,1165 3.516,1166 3.569,1167 3.412,1168 3.413,1169 4.298,1170 3.405,1171 3.333,1172 3.408,1173 3.18,1174 3.185,1175 4.275,1176 3.173,1177 3.239,1178 3.3,1179 3.086,1180 3.046,1181 3.973,1182 3.044,1183 3.111,1184 3.206,1185 2.944,1186 2.952,1187 3.841,1188 2.939,1189 0.12,1190 0.091,1191 0.179,1192 0.11,1193 0.085,1194 4.578,1195 0.118,1196 3.472,1197 0.03,1198 6.82,1199 0.298,1200 4.173,1201 0.08,1202 3.232,1203 4.474,1204 1.151,1205 11.308,1206 3.047,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.955,1214 1.931,1215 2.054,1216 2.077,1217 1.251,1218 2.069,1219 1.747,1220 1.678,1221 1.94,1222 1.959,1223 1.163,1224 1.958,1225 1.543,1226 1.488,1227 1.76,1228 1.718,1229 0.949,1230 1.734,1231 1.524,1232 1.472,1233 1.734,1234 1.699,1235 0.825,1236 1.707,1237 1.469,1238 1.415,1239 1.667,1240 1.643,1241 0.824,1242 1.661,1243 1.314,1244 1.248,1245 1.564,1246 1.505,1247 0.807,1248 1.532,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.741,1254 1.429,1255 4.344,1257 5.694,1258 2.398,1259 7.246,1260 4.727,1261 8.894,1262 6.823,1263 10.592,1265 4.083,1271 6.772,1273 6.142,1276 5.075,1280 39.143,1281 88.287,1282 210.583,1283 282.431,1284 323.65,1285 333.65,1286 333.65,1287 38.037,1288 8.968,1289 46.42,1290 46.42,1291 35,1292 12.942,1293 4.524,1294 3.585,1295 43.601,1296 165,1297 145,1298 0.129,1299 234.097,1300 395.29,1301 562.957,1302 126867,1304 22.363,1305 0.678,1306 0.585,1307 22.363,1308 19.29,1309 16.153,1310 0.425,1311 0.31,1312 11.644,1313 15.604,1314 11.316,1315 9.316,1316 16.153,1317 11.792,1318 14.892,1319 0.271,1320 0.165,1321 14.892,1322 9.098,1323 13.082,1324 0.17,1325 0.089,1326 13.082,1327 6.839,1328 11.629,1329 0.109,1330 0.048,1331 11.629,1332 5.127,1333 9.958,1334 0.071,1335 0.027,1336 9.958,1337 3.755,1338 0.208,1339 100.367,1340 0.195,1341 31.036,1342 0.336,1343 186,1344 445.961,1345 200.95,1346 436.447,1347 627.81,1348 416,1349 225,1350 489.891,1351 242.557,1352 496.593,1353 736.84,1354 470,1355 9.9} {0 CHEMBL1241548,1 1.41,2 14.088,3 4.565,4 20.836,5 135.973,6 6.979,7 0.564,8 4.276,9 4.402,10 3.816,11 3.825,12 5.253,13 3.794,14 4.857,15 5.051,16 4.209,17 4.238,18 5.763,19 4.196,20 5.092,21 5.304,22 4.302,23 4.427,24 5.983,25 4.356,26 5.212,27 5.432,28 4.22,29 4.501,30 6.023,31 4.38,32 5.273,33 5.532,34 4.119,35 4.478,36 6.017,37 4.325,38 5.249,39 5.526,40 3.973,41 4.368,42 5.965,43 4.201,44 5.065,45 5.337,46 3.82,47 4.195,48 5.787,49 4.037,50 4.944,51 5.212,52 3.7,53 4.091,54 5.64,55 3.925,56 0.048,57 0.983,58 14.482,59 5.936,60 9.078,61 8.277,62 0.248,63 1.667,64 28.056,65 9.712,66 22.052,67 14.026,68 0.467,69 2.062,70 36.159,71 12.128,72 34.547,73 17.744,74 0.32,75 2.188,76 40.703,77 15.78,78 32.334,79 22.307,80 0.369,81 2.228,82 44.486,83 17.021,84 36.276,85 24.612,86 0.408,87 2.118,88 44.46,89 16.136,90 39.091,91 23.476,92 0.363,93 1.797,94 36.857,95 12.929,96 32.513,97 18.941,98 0.349,99 1.59,100 32.466,101 11.791,102 25.749,103 17.205,104 10,105 57,106 0.222,107 0.527,108 0.708,109 0.828,110 0.852,111 0.852,112 3.56,113 0.94,114 -4.58,115 -4.51,116 -4.24,119 43.1,120 3,121 1,125 6,140 8,141 2,142 3,144 3,150 1,159 1,169 8,171 1,172 11,178 8,181 3,182 12,189 7,192 1,193 8,199 7,202 1,203 8,211 5,214 1,215 7,222 5,225 1,226 3,233 4,236 2,237 2,244 4,248 1,249 4,256 6,259 1900,260 23.378,261 23.378,262 23.378,263 23.378,264 23.378,265 20.674,266 28.154,267 13.454,268 23.937,269 19.242,270 19.242,271 19.242,272 19.242,273 19.242,274 15.137,275 35.527,276 6.358,277 20.183,278 4.612,279 2.683,280 1.535,281 0.773,282 0.619,283 0.619,284 4.283,289 1,290 1088,291 2.915,294 69.697,295 419.661,298 116.863,299 277.917,302 2.029,303 17.99,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 71.5,315 479,316 4.669,317 3.544,318 7.003,319 4.259,320 3.32,321 4.474,322 1.151,323 11.917,324 3.119,325 4.551,326 3.28,327 6.695,328 4.108,329 3.139,330 4.412,331 0.8,332 10.856,333 3.046,334 4.205,335 3.07,336 6.324,337 3.8,338 2.835,339 3.84,340 0.8,341 9.493,342 2.733,343 3.856,344 2.871,345 5.807,346 3.578,347 2.642,348 3.249,350 8.002,351 2.469,352 3.548,353 2.646,354 5.498,355 3.316,356 2.378,357 2.753,359 6.953,360 2.232,361 3.439,362 2.454,363 5.324,364 3.101,365 2.13,366 2.721,368 6.604,369 2.064,370 3.324,371 2.29,372 5.154,373 2.992,374 2.031,375 2.491,377 5.925,378 1.944,379 3.226,380 2.245,381 4.961,382 2.888,383 1.942,384 2.422,386 5.729,387 1.833,388 3.029,389 1.914,390 4.601,391 2.578,392 1.604,393 2.244,395 4.509,396 1.562,397 2.905,398 1.65,399 4.553,400 2.468,401 1.524,402 2.07,404 4.282,405 1.432,406 2.788,407 1.544,408 4.091,409 2.405,410 1.424,411 1.862,413 3.464,414 1.394,415 2.711,416 1.474,417 4.034,418 2.313,419 1.355,420 1.778,422 3.43,423 1.291,424 2.263,425 1.242,426 3.47,427 1.967,428 1,429 1.181,431 2.275,432 0.965,433 2.099,434 1.146,435 3.414,436 1.897,437 0.948,438 1.045,440 2.257,441 0.895,442 2,443 0.914,444 3.369,445 1.793,446 0.833,447 1,449 1.993,450 0.795,451 16.333,452 0.48,453 0.849,454 0.025,455 44.25,456 1.301,457 21,458 0.618,459 23.25,460 0.684,461 32.746,462 0.963,463 35.867,464 0.552,465 31.719,466 0.933,467 8.552,468 0.252,469 8.028,470 0.236,471 0.092,473 0.38,479 0.895,480 1.453,481 0.819,482 1.148,483 0.863,484 1.003,485 1.311,486 1.144,487 0.857,488 0.887,489 0.872,490 0.831,491 1.295,492 0.937,493 1.057,494 0.889,495 1.047,496 0.925,497 1.113,498 1.131,499 1.14,500 1.186,501 1.053,502 1.175,503 0.846,504 1.029,505 1.023,506 1.079,507 0.886,508 1.075,509 1.083,510 0.984,511 1.04,512 1.02,513 1.138,514 1.032,515 1.188,516 0.994,517 1.111,518 1.033,519 1.22,520 1.061,521 0.996,522 1.025,523 1.104,524 1.076,525 0.985,526 1.102,527 6,528 0.164,529 4.444,530 2.729,531 2.067,532 1.174,533 0.7,534 0.412,535 0.274,536 0.259,537 19738,538 41400,539 2.197,540 47.7,542 20,546 9,547 2,550 1.754,551 2.082,552 3.725,553 -0.817,559 91.658,560 1.41,561 3.339,562 4.488,563 5.249,564 5.403,565 5.403,566 3.176,567 4.352,568 5.064,569 3.923,570 2200.6,571 8.842,572 34402.7,577 391.454,578 1.325,579 5.031,580 0.154,581 0.005,582 0.078,583 0.045,584 0.038,585 0.024,586 0.018,587 0.012,588 0.009,589 0.009,590 0.392,591 0.33,592 0.88,593 0.459,594 184.182,595 0.048,596 -0.279,597 0.098,598 -0.102,599 0.011,600 -0.015,601 -0.032,602 -0.02,603 0.128,604 0.084,605 0.115,606 0.116,607 -0.034,608 0.186,609 -0.067,610 0.062,611 0.022,612 0.012,613 -0.086,614 -0.122,615 -0.175,616 -0.175,617 -0.09,618 -0.184,619 0.016,620 -0.079,621 -0.05,622 -0.075,623 -0.016,624 -0.071,625 -0.049,626 -0.058,627 -0.041,628 -0.039,629 -0.128,630 -0.042,631 -0.097,632 -0.033,633 -0.109,634 -0.068,635 -0.208,636 -0.087,637 0.01,638 -0.073,639 -0.112,640 -0.097,641 -0.103,642 -0.117,643 0.962,644 2.697,645 0.853,646 34.941,647 0.99,648 1.125,649 3.353,650 11.242,651 0.667,652 3.689,653 4.06,654 4.407,655 4.727,656 5.004,657 5.094,658 5.257,659 5.416,660 5.501,661 5.533,662 8.174,663 0.626,664 453.64,665 3.689,666 5.263,667 6.151,668 7.057,669 7.959,670 8.869,671 9.776,672 10.688,673 11.596,674 12.509,675 7.7,678 1,681 1,683 1,685 2,687 2,688 8,689 2,693 8,694 1,695 22,709 1,712 1,714 65,716 22,717 2,718 39,720 70,721 28,722 18,723 6,724 6,730 6,731 10,736 3,743 1,745 18,746 10,764 31,765 5,767 6,770 1,773 5,777 0.5,778 1,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 3,827 34,833 7,835 1,838 2,847 1.5,852 1,854 16.333,855 12.833,856 7.25,857 4.143,858 4.478,859 1.494,860 1.034,861 5.548,862 13.539,863 3.932,864 4.588,865 5.232,866 5.859,867 6.404,868 6.696,869 7.088,870 7.469,871 7.754,872 7.783,873 1,874 61,875 12.597,877 5.4,878 7.402,879 25.05,881 21.411,883 1.902,884 64.667,888 364.904,889 149.199,890 41.719,892 11,895 149.199,896 375.904,897 41.719,898 26.476,899 17.655,900 75.81,901 35.899,902 43.321,903 2.757,904 364.904,906 364.904,907 190.918,908 11,911 341.362,912 34.542,915 59.14,916 98.207,917 33.571,919 364.904,920 52.719,921 149.199,924 364.904,925 46.913,926 110.433,928 44.571,929 364.904,930 52.719,931 149.199,933 0.593,934 0.361,935 0.204,936 0.115,937 31,938 13,939 0.057,940 4,941 3,942 1.207,943 4.557,944 336.773,945 0.207,946 29,947 164.974,951 21.637,952 8.718,953 3.906,954 2.333,955 50.82,956 17.308,957 9.386,961 9.071,962 2.261,964 566.822,965 50,975 64.323,976 73.099,977 0.234,978 0.554,979 0.745,980 0.872,981 0.897,982 0.897,983 5.201,984 1.942,985 6.151,986 5.925,987 4.745,988 5.276,989 1.717,990 7.015,991 4.651,992 6.42,993 1.604,994 7.74,995 5.729,996 4.369,997 5.165,998 0.57,999 8.009,1000 4.222,1001 7.748,1002 1.524,1003 9.43,1004 4.509,1005 6.389,1006 7.535,1007 1.692,1008 11.157,1009 6.199,1010 9.112,1011 1.424,1012 11.181,1013 4.282,1014 6.847,1015 8.279,1016 0.479,1017 13.007,1018 6.6,1019 10.512,1020 1.355,1021 12.971,1022 3.464,1023 8.333,1024 10.127,1025 1.822,1026 15.68,1027 8.046,1028 11.936,1029 1,1030 14.788,1031 3.43,1032 9.179,1033 11.269,1034 0.346,1035 17.882,1036 8.834,1037 13.381,1038 0.948,1039 16.627,1040 2.275,1041 10.459,1042 12.905,1043 2.014,1044 20.401,1045 10.072,1046 3.32,1047 0.833,1048 18.482,1049 2.257,1050 11.483,1051 14.233,1052 0.237,1053 22.747,1054 11.041,1055 3.139,1056 11.917,1057 20.349,1058 1.993,1059 12.687,1060 15.781,1061 2.237,1062 25.217,1063 12.198,1064 2.835,1065 10.856,1066 22.227,1067 4.474,1068 13.792,1069 17.193,1070 0.158,1071 27.624,1072 13.248,1073 2.642,1074 9.493,1075 24.113,1076 4.412,1077 14.97,1078 18.704,1079 2.479,1080 30.08,1081 14.377,1082 2.378,1083 8.002,1084 26.007,1085 3.84,1086 16.112,1087 20.156,1088 0.104,1089 32.514,1090 15.464,1091 2.13,1092 6.953,1093 27.906,1094 3.249,1095 17.285,1096 21.652,1097 2.733,1098 34.969,1099 16.584,1100 2.031,1101 6.604,1102 29.81,1103 2.753,1104 18.445,1105 23.122,1106 0.068,1107 37.417,1108 17.688,1109 17770,1110 25890,1111 26.759,1112 43.381,1113 59.657,1114 59.752,1115 61.469,1116 59.397,1117 59.382,1118 76.395,1119 5.502,1120 178.205,1121 56.656,1122 5.669,1123 5.544,1124 6.532,1125 5.369,1126 5.32,1127 7.474,1128 2.302,1129 19.49,1130 5.119,1131 14.059,1132 1.53,1133 1.532,1134 1.576,1135 1.523,1136 1.523,1137 1.959,1138 0.141,1139 4.569,1140 1.453,1141 4.12,1142 4.157,1143 4.081,1144 4.022,1145 5.012,1146 4.029,1147 4.067,1148 4.1,1149 4.033,1150 3.957,1151 4.971,1152 3.972,1153 3.826,1154 3.89,1155 3.741,1156 3.684,1157 4.649,1158 3.692,1159 3.735,1160 3.783,1161 3.649,1162 3.584,1163 4.441,1164 3.592,1165 3.516,1166 3.57,1167 3.412,1168 3.414,1169 4.3,1170 3.406,1171 3.336,1172 3.41,1173 3.182,1174 3.187,1175 4.276,1176 3.175,1177 3.263,1178 3.32,1179 3.116,1180 3.073,1181 3.973,1182 3.073,1183 3.111,1184 3.206,1185 2.944,1186 2.952,1187 3.85,1188 2.939,1189 0.12,1190 0.091,1191 0.18,1192 0.109,1193 0.085,1194 4.669,1195 0.115,1196 3.544,1197 0.03,1198 7.003,1199 0.306,1200 4.259,1201 0.08,1202 3.32,1203 4.474,1204 1.151,1205 11.917,1206 3.119,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.959,1214 1.935,1215 2.056,1216 2.081,1217 1.254,1218 2.072,1219 1.749,1220 1.68,1221 1.942,1222 1.96,1223 1.168,1224 1.96,1225 1.614,1226 1.562,1227 1.821,1228 1.774,1229 0.995,1230 1.792,1231 1.526,1232 1.477,1233 1.735,1234 1.7,1235 0.88,1236 1.707,1237 1.474,1238 1.419,1239 1.674,1240 1.648,1241 0.825,1242 1.667,1243 1.321,1244 1.254,1245 1.587,1246 1.512,1247 0.807,1248 1.541,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.75,1254 1.429,1255 4.369,1257 5.727,1258 2.398,1259 7.29,1260 4.844,1261 8.947,1262 7.018,1263 10.654,1265 6.26,1271 6.768,1273 6.197,1276 5.083,1280 40.67,1281 91.658,1282 217.047,1283 291.705,1284 341.189,1285 351.189,1286 351.189,1287 40.642,1288 9.061,1289 46.42,1290 46.42,1291 35,1292 13.023,1293 4.524,1294 3.585,1295 45.509,1296 173,1297 154,1298 0.129,1299 243.689,1300 412.59,1301 586.362,1302 140733,1304 23.233,1305 0.683,1306 0.594,1307 23.233,1308 20.213,1309 16.581,1310 0.425,1311 0.313,1312 12.072,1313 16.032,1314 11.679,1315 9.631,1316 16.581,1317 12.219,1318 15.301,1319 0.268,1320 0.166,1321 15.301,1322 9.463,1323 13.765,1324 0.17,1325 0.091,1326 13.765,1327 7.335,1328 11.982,1329 0.107,1330 0.048,1331 11.982,1332 5.351,1333 10.274,1334 0.069,1335 0.026,1336 10.274,1337 3.903,1338 0.208,1339 102.895,1340 0.193,1341 31.743,1342 0.337,1343 192,1344 453.961,1345 207.283,1346 444.529,1347 641.78,1348 424,1349 234,1350 503.243,1351 251.89,1352 509.9,1353 758.7,1354 483,1355 9.801} {0 CHEMBL1241639,1 1.521,2 13.375,3 3.703,4 13.71,5 127.353,6 7.501,7 0.595,8 4.174,9 4.301,10 3.777,11 3.701,12 5.222,13 3.691,14 4.738,15 4.922,16 4.148,17 4.116,18 5.7,19 4.091,20 4.977,21 5.19,22 4.209,23 4.288,24 5.882,25 4.226,26 5.072,27 5.297,28 4.133,29 4.323,30 5.94,31 4.22,32 5.091,33 5.35,34 3.985,35 4.283,36 5.858,37 4.145,38 5.033,39 5.308,40 3.866,41 4.169,42 5.784,43 4.023,44 4.914,45 5.189,46 3.729,47 4.008,48 5.677,49 3.877,50 4.747,51 5,52 3.626,53 3.909,54 5.509,55 3.775,56 0.077,57 0.936,58 11.683,59 4.96,60 10.526,61 6.625,62 0.242,63 1.525,64 23.145,65 8.073,66 20.086,67 11.249,68 0.384,69 1.828,70 30.761,71 10.539,72 29.215,73 15.084,74 0.378,75 1.898,76 34.721,77 12.839,78 36.788,79 18.159,80 0.347,81 1.87,82 36.977,83 13.329,84 33.698,85 19.499,86 0.294,87 1.748,88 35.44,89 12.252,90 32.816,91 18.269,92 0.422,93 1.522,94 32.165,95 10.162,96 35.012,97 14.976,98 0.353,99 1.319,100 26.229,101 9.034,102 24.445,103 13.061,104 2,105 53,106 0.246,107 0.571,108 0.733,109 0.844,110 0.855,111 0.855,112 3.502,113 0.902,114 -4.7,115 -4.62,116 -4.34,119 42.1,120 1,121 1,125 6,140 8,141 2,142 3,144 2,159 1,164 3,169 8,171 3,172 9,178 8,181 3,182 11,189 6,192 3,193 11,199 6,202 1,203 10,211 2,214 1,215 9,222 1,225 2,226 3,233 2,236 3,237 1,244 4,248 1,249 3,256 6,259 1634,260 22.378,261 22.378,262 22.378,263 22.378,264 22.378,265 19.78,266 26.703,267 13.067,268 22.879,269 18.295,270 18.295,271 18.295,272 18.295,273 18.295,274 14.355,275 32.787,276 6.18,277 19.131,278 4.312,279 2.3,280 1.298,281 0.61,282 0.54,283 0.54,284 4.23,288 1,289 1,290 984,291 2.739,294 66.059,295 390.4,298 110.266,299 258.748,302 2.016,303 18.247,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.5,315 428,316 4.555,317 3.458,318 6.808,319 4.162,320 3.211,321 4.474,322 1.151,323 11.25,324 3.052,325 4.551,326 3.28,327 6.695,328 4.108,329 3.139,330 4.252,331 0.8,332 10.856,333 3.045,334 4.036,335 2.921,336 6.08,337 3.642,338 2.687,339 3.622,340 0.8,341 8.75,342 2.569,343 3.855,344 2.823,345 5.807,346 3.562,347 2.618,348 3.249,350 8.001,351 2.461,352 3.535,353 2.631,354 5.338,355 3.302,356 2.366,357 2.736,359 6.901,360 2.216,361 3.352,362 2.275,363 5.158,364 3.012,365 2.048,366 2.575,368 5.968,369 1.97,370 3.251,371 2.255,372 4.961,373 2.899,374 1.935,375 2.446,377 5.725,378 1.863,379 3.028,380 2.04,381 4.561,382 2.583,383 1.631,384 2.243,386 4.503,387 1.562,388 2.941,389 1.649,390 4.431,391 2.542,392 1.586,393 2.105,395 4.217,396 1.495,397 2.779,398 1.477,399 4.036,400 2.4,401 1.419,402 1.848,404 3.464,405 1.388,406 2.689,407 1.421,408 3.836,409 2.298,410 1.313,411 1.751,413 3.077,414 1.289,415 2.424,416 1.162,417 3.452,418 2.01,419 1.041,420 1.396,422 2.374,423 1.005,424 2.256,425 1.146,426 3.414,427 1.967,428 1,429 1.166,431 2.275,432 0.965,433 2,434 0.903,435 3.377,436 1.826,437 0.848,438 1,440 2.028,441 0.828,442 1.956,443 0.753,444 3.29,445 1.636,446 0.662,447 0.836,449 1.663,450 0.643,451 15.133,452 0.473,453 0.671,454 0.021,455 42.75,456 1.336,457 21,458 0.656,459 21.75,460 0.68,461 27.419,462 0.857,463 33.467,464 0.587,465 30.24,466 0.945,467 8.424,468 0.263,469 7.335,470 0.229,471 0.033,473 0.344,479 0.707,480 1.273,481 0.733,482 1.111,483 0.619,484 0.96,485 1.149,486 1.106,487 0.865,488 0.932,489 0.788,490 0.872,491 1.024,492 0.973,493 0.99,494 0.956,495 0.834,496 0.958,497 0.936,498 1.086,499 1.062,500 1.159,501 0.889,502 1.144,503 0.764,504 1.009,505 1.009,506 1.072,507 0.81,508 1.078,509 0.732,510 1.029,511 1.008,512 1.098,513 0.881,514 1.089,515 1.197,516 0.858,517 1.108,518 0.945,519 1.207,520 1.005,521 1,522 0.969,523 1.143,524 1.093,525 0.988,526 1.14,527 5,528 0.123,529 4,530 1.813,531 1.787,532 0.868,533 0.542,534 0.353,535 0.218,536 0.179,537 17262,538 41178,539 2.25,540 43.9,542 20,546 3,547 2,550 1.738,551 2.182,552 3.667,553 -0.743,555 1,559 86.688,560 1.521,561 3.533,562 4.535,563 5.223,564 5.293,565 5.293,566 3.061,567 4.75,568 4.977,569 3.864,570 1916.74,571 8.665,572 28707.2,574 1,577 332.475,578 1.11,579 4.962,580 0.135,581 0.005,582 0.075,583 0.033,584 0.036,585 0.021,586 0.015,587 0.011,588 0.008,589 0.007,590 0.347,591 0.17,592 0.88,593 0.313,594 170.143,595 0.191,596 -0.084,597 0.107,598 -0.086,599 0.191,600 -0.021,601 -0.028,602 0.004,603 0.061,604 0.043,605 0.086,606 0.059,607 -0.008,608 0.082,609 -0.043,610 0.023,611 0.047,612 -0.002,613 0.038,614 -0.116,615 -0.103,616 -0.141,617 0.05,618 -0.145,619 0.008,620 -0.087,621 -0.03,622 -0.052,623 -0.024,624 -0.049,625 0.014,626 -0.112,627 -0.015,628 -0.098,629 -0.061,630 -0.065,631 -0.116,632 0.067,633 -0.079,634 0.02,635 -0.208,636 -0.017,637 -0.005,638 -0.028,639 -0.149,640 -0.1,641 -0.119,642 -0.143,643 1.088,644 2.507,645 0.906,646 31.5,647 1,648 1.13,649 3.47,650 12.04,651 0.673,652 3.638,653 3.989,654 4.331,655 4.644,656 4.905,657 4.997,658 5.153,659 5.288,660 5.366,661 5.416,662 7.868,663 0.642,664 427.56,665 3.638,666 5.198,667 6.08,668 6.976,669 7.87,670 8.77,671 9.667,672 10.568,673 11.467,674 12.369,675 12.3,678 1,681 1,683 1,685 4,687 2,688 8,689 4,693 6,694 1,695 22,709 1,712 1,714 57,716 22,717 2,718 37,720 62,721 24,722 16,723 6,724 6,730 6,731 10,736 1,743 1,745 16,746 8,761 1,764 25,765 7,767 8,773 7,777 0.5,778 1,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 1,827 32,833 7,835 1,838 2,847 1.8,852 1,854 14.667,855 10.733,856 6.861,857 3.601,858 4.428,859 1.499,860 1.04,861 5.011,862 13.295,863 3.892,864 4.525,865 5.166,866 5.786,867 6.316,868 6.618,869 7.001,870 7.358,871 7.631,872 7.642,873 0.889,874 55,875 11.811,877 5.092,878 7.479,879 23.241,881 19.796,883 1.979,884 63.333,887 1,888 294.278,889 126.035,890 74.555,892 11,895 126.035,896 305.277,897 74.555,898 8.825,899 17.655,900 75.81,901 68.857,902 40.441,904 294.278,906 294.278,907 200.59,908 11,911 270.735,912 34.542,915 38.61,916 95.45,917 66.53,919 294.278,920 85.555,921 126.035,924 294.278,925 41.4,926 92.66,928 77.529,929 294.278,930 85.555,931 126.035,933 0.586,934 0.355,935 0.203,936 0.111,937 29,938 11,939 0.065,940 4,941 3,942 1.207,943 4.484,944 308.088,945 0.207,946 29,947 154,951 19.656,952 8.157,953 3.652,954 2.311,955 83.778,956 16.955,957 16.593,961 6.134,962 1.779,964 505.867,965 48,975 56.992,976 64.434,977 0.261,978 0.606,979 0.778,980 0.895,981 0.907,982 0.907,983 5.145,984 1.631,985 6.061,986 5.725,987 4.673,988 5.212,989 1.717,990 6.903,991 4.586,992 6.346,993 1.586,994 7.632,995 4.503,996 4.205,997 4.997,998 0.57,999 7.854,1000 4.058,1001 7.658,1002 1.419,1003 9.304,1004 4.217,1005 6.29,1006 7.445,1007 1.692,1008 10.99,1009 6.113,1010 9.009,1011 1.313,1012 11.039,1013 3.464,1014 6.686,1015 8.122,1016 0.479,1017 12.803,1018 6.451,1019 10.396,1020 1.041,1021 12.816,1022 3.077,1023 8.2,1024 10.004,1025 1.822,1026 15.449,1027 7.936,1028 11.808,1029 1,1030 14.621,1031 2.374,1032 8.999,1033 11.101,1034 0.346,1035 17.607,1036 8.683,1037 13.24,1038 0.848,1039 16.446,1040 2.275,1041 10.284,1042 12.75,1043 2.014,1044 20.093,1045 9.936,1046 3.211,1047 0.662,1048 18.287,1049 2.028,1050 11.272,1051 14.047,1052 0.237,1053 22.392,1054 10.877,1055 3.139,1056 11.25,1057 20.141,1058 1.663,1059 12.468,1060 15.597,1061 2.237,1062 24.824,1063 12.037,1064 2.687,1065 10.856,1066 22.003,1067 4.474,1068 13.543,1069 16.989,1070 0.158,1071 27.182,1072 13.068,1073 2.618,1074 8.75,1075 23.874,1076 4.252,1077 14.705,1078 18.497,1079 2.479,1080 29.595,1081 14.193,1082 2.366,1083 8.001,1084 25.75,1085 3.622,1086 15.82,1087 19.934,1088 0.104,1089 31.979,1090 15.265,1091 2.048,1092 6.901,1093 27.632,1094 3.249,1095 16.972,1096 21.425,1097 2.733,1098 34.387,1099 16.378,1100 1.935,1101 5.968,1102 29.518,1103 2.736,1104 18.107,1105 22.885,1106 0.068,1107 36.783,1108 17.47,1109 15349,1110 23947,1111 25.948,1112 38.347,1113 56.296,1114 56.16,1115 57.028,1116 56.054,1117 56.022,1118 72.584,1119 5.502,1120 164.536,1121 53.627,1122 5.555,1123 5.458,1124 6.345,1125 5.271,1126 5.211,1127 7.474,1128 2.302,1129 18.664,1130 5.052,1131 7.936,1132 1.522,1133 1.518,1134 1.541,1135 1.515,1136 1.514,1137 1.962,1138 0.149,1139 4.447,1140 1.449,1141 4.102,1142 4.139,1143 4.062,1144 4.017,1145 5.244,1146 4.022,1147 4.039,1148 4.08,1149 4.011,1150 3.913,1151 4.982,1152 3.927,1153 3.804,1154 3.878,1155 3.706,1156 3.604,1157 4.752,1158 3.617,1159 3.664,1160 3.729,1161 3.606,1162 3.449,1163 4.441,1164 3.483,1165 3.513,1166 3.567,1167 3.41,1168 3.405,1169 4.312,1170 3.402,1171 3.323,1172 3.397,1173 3.173,1174 3.172,1175 4.278,1176 3.162,1177 3.111,1178 3.206,1179 2.986,1180 2.952,1181 3.973,1182 2.939,1183 3.095,1184 3.163,1185 2.923,1186 2.941,1187 3.836,1188 2.91,1189 0.123,1190 0.093,1191 0.184,1192 0.112,1193 0.087,1194 4.555,1195 0.121,1196 3.458,1197 0.031,1198 6.808,1199 0.304,1200 4.162,1201 0.082,1202 3.211,1203 4.474,1204 1.151,1205 11.25,1206 3.052,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.359,1212 2.144,1213 1.949,1214 1.924,1215 2.049,1216 2.075,1217 1.247,1218 2.064,1219 1.745,1220 1.676,1221 1.937,1222 1.958,1223 1.159,1224 1.956,1225 1.527,1226 1.478,1227 1.735,1228 1.695,1229 0.928,1230 1.705,1231 1.455,1232 1.399,1233 1.658,1234 1.642,1235 0.825,1236 1.656,1237 1.321,1238 1.256,1239 1.563,1240 1.525,1241 0.807,1242 1.542,1243 1.153,1244 1.064,1245 1.513,1246 1.396,1247 0.74,1248 1.429,1249 1.111,1250 1.04,1251 1.424,1252 1.376,1253 0.48,1254 1.349,1255 4.317,1257 5.659,1258 2.398,1259 7.21,1260 4.595,1261 8.858,1262 6.605,1263 10.557,1265 2.043,1271 6.486,1273 6.007,1276 5.025,1280 36.606,1281 86.688,1282 201.378,1283 258.501,1284 297.72,1285 301.72,1286 301.72,1287 36.751,1288 8.867,1289 72.2,1290 72.2,1291 35,1292 12.89,1293 4.524,1294 3.585,1295 41.726,1296 156,1297 136,1298 0.13,1299 218.909,1300 365.39,1301 525.897,1302 113032,1304 21.493,1305 0.672,1306 0.566,1307 21.493,1308 18.107,1309 15.759,1310 0.426,1311 0.301,1312 10.951,1313 15.079,1314 10.72,1315 8.803,1316 15.759,1317 11.121,1318 14.246,1319 0.269,1320 0.159,1321 14.246,1322 8.436,1323 12.815,1324 0.171,1325 0.086,1326 12.815,1327 6.442,1328 11.315,1329 0.11,1330 0.046,1331 11.315,1332 4.728,1333 9.492,1334 0.071,1335 0.026,1336 9.492,1337 3.439,1338 0.21,1339 99.004,1340 0.196,1341 30.264,1342 0.34,1343 180,1344 477.251,1345 197.836,1346 463.99,1347 662.28,1348 440,1349 218,1350 522.362,1351 239.221,1352 523.207,1353 770.46,1354 494,1355 9.9} {0 CHEMBL1241640,1 1.516,2 16.027,3 4.654,4 21.66,5 142.845,6 7.318,7 0.524,8 4.33,9 4.446,10 3.901,11 3.854,12 5.364,13 3.841,14 4.905,15 5.085,16 4.277,17 4.259,18 5.911,19 4.233,20 5.135,21 5.34,22 4.375,23 4.438,24 6.094,25 4.382,26 5.227,27 5.429,28 4.355,29 4.489,30 6.191,31 4.404,32 5.293,33 5.531,34 4.228,35 4.467,36 6.203,37 4.351,38 5.214,39 5.468,40 4.121,41 4.388,42 6.025,43 4.258,44 5.166,45 5.426,46 4.003,47 4.267,48 5.985,49 4.143,50 5.025,51 5.272,52 3.892,53 4.171,54 5.839,55 4.044,56 0.002,57 1.018,58 14.265,59 6.162,60 8.133,61 8.162,62 0.369,63 1.698,64 28.669,65 9.94,66 33.848,67 13.685,68 0.496,69 2.064,70 37.052,71 12.984,72 41.404,73 18.146,74 0.442,75 2.168,76 40.689,77 15.45,78 48.751,79 21.144,80 0.761,81 2.218,82 46.081,83 16.126,84 74.612,85 22.648,86 0.308,87 2.122,88 41.697,89 15.039,90 40.029,91 21.87,92 0.484,93 1.934,94 41.273,95 13.712,96 49.314,97 19.632,98 0.451,99 1.681,100 35.333,101 12.43,102 39.834,103 17.482,104 13,105 60,106 0.237,107 0.564,108 0.765,109 0.855,110 0.864,111 0.864,112 3.642,113 0.924,114 -4.28,115 -4.22,116 -3.98,119 42.6,120 2,121 1,125 7,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 8,171 2,172 10,178 8,181 4,182 10,189 6,192 4,193 9,199 6,202 3,203 7,211 2,214 1,215 10,222 1,225 1,226 8,233 2,236 2,237 5,244 5,248 1,249 3,256 8,259 2546,260 25.662,261 25.662,262 25.662,263 25.662,264 25.662,265 22.972,266 31.046,267 15.031,268 26.403,269 20.704,270 20.704,271 20.704,272 20.704,273 20.704,274 16.489,275 36.72,276 7.007,277 21.804,278 4.571,279 2.474,280 1.187,281 0.61,282 0.552,283 0.552,284 4.363,289 1,290 1328,291 3.606,294 76.757,295 469.155,298 129.395,299 310.209,302 2.408,303 29.023,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 79.5,315 593,316 4.631,317 3.717,318 6.922,319 4.233,320 3.286,321 4.474,322 1.674,323 11.649,324 3.109,325 4.551,326 3.423,327 6.695,328 4.108,329 3.139,330 4.348,331 1.151,332 10.856,333 3.046,334 4.248,335 3.28,336 6.442,337 3.861,338 2.889,339 3.859,340 0.8,341 9.918,342 2.804,343 3.856,344 2.925,345 5.809,346 3.582,347 2.646,348 3.249,349 0.8,350 8.004,351 2.473,352 3.696,353 2.833,354 5.78,355 3.366,356 2.416,357 2.991,359 7.685,360 2.292,361 3.524,362 2.634,363 5.328,364 3.26,365 2.314,366 2.734,368 6.872,369 2.181,370 3.337,371 2.299,372 5.064,373 3.002,374 2.04,375 2.504,377 5.739,378 1.955,379 3.185,380 2.255,381 4.96,382 2.823,383 1.861,384 2.364,386 5.526,387 1.781,388 3.028,389 2.083,390 4.562,391 2.581,392 1.631,393 2.241,395 4.503,396 1.561,397 2.941,398 1.812,399 4.462,400 2.531,401 1.587,402 2.102,404 4.227,405 1.478,406 2.779,407 1.651,408 4.036,409 2.401,410 1.421,411 1.848,413 3.465,414 1.389,415 2.69,416 1.479,417 4.027,418 2.276,419 1.314,420 1.751,422 3.15,423 1.256,424 2.535,425 1.448,426 3.862,427 2.156,428 1.249,429 1.53,431 3.104,432 1.123,433 2.26,434 1.375,435 3.414,436 1.967,437 1,438 1.175,440 2.275,441 0.965,442 2.104,443 1.146,444 3.392,445 1.872,446 0.916,447 1.035,449 2.083,450 0.87,451 17.5,452 0.473,453 0.811,454 0.022,455 48,456 1.297,457 22.5,458 0.608,459 25.5,460 0.689,461 34.509,462 0.933,463 39.5,464 0.581,465 37.431,466 1.012,467 9.402,468 0.254,469 8.716,470 0.236,471 0.076,473 0.354,479 0.806,480 1.479,481 0.767,482 1.182,483 0.607,484 1.002,485 1.106,486 1.098,487 0.88,488 0.885,489 0.628,490 0.843,491 0.976,492 0.952,493 0.941,494 0.906,495 0.689,496 0.904,497 0.944,498 1.156,499 1.04,500 1.181,501 1.005,502 1.14,503 1.022,504 0.971,505 1.072,506 0.973,507 1.235,508 1.025,509 0.683,510 1.105,511 1.01,512 1.128,513 0.588,514 1.11,515 1.123,516 0.949,517 1.079,518 0.978,519 0.85,520 1.01,521 1.06,522 0.964,523 1.096,524 1.023,525 0.853,526 1.063,527 6,528 0.201,529 4.889,530 2.535,531 2.237,532 1.202,533 0.816,534 0.525,535 0.323,536 0.244,537 24781,538 59484,539 2.18,540 45.6,542 22,544 1,546 3,547 5,550 1.775,551 2.075,552 3.905,553 -0.778,559 103.121,560 1.516,561 3.613,562 4.9,563 5.477,564 5.536,565 5.536,566 3.372,567 5.047,568 5.181,569 4.09,570 2724.05,571 9.082,572 45836.2,577 413.947,578 1.288,579 5.156,580 0.143,581 0.006,582 0.081,583 0.039,584 0.037,585 0.023,586 0.017,587 0.013,588 0.009,589 0.007,590 0.375,591 0.17,592 0.75,593 0.857,594 206.814,595 0.001,596 -0.3,597 0.089,598 -0.128,599 -0.004,600 -0.028,601 -0.006,602 0.026,603 0.071,604 0.089,605 0.099,606 0.095,607 0.02,608 0.131,609 0.017,610 0.069,611 0.076,612 0.051,613 0.054,614 -0.141,615 -0.084,616 -0.171,617 0.02,618 -0.155,619 0.026,620 -0.006,621 -0.078,622 0.014,623 -0.059,624 -0.039,625 0.005,626 -0.113,627 -0.049,628 -0.142,629 0.002,630 -0.106,631 -0.109,632 0.015,633 -0.068,634 -0.019,635 -0.06,636 -0.032,637 -0.063,638 -0.008,639 -0.101,640 -0.04,641 -0.049,642 -0.073,643 2.075,644 5.26,645 0.784,646 46.434,647 1,648 1.125,649 3.048,650 9.292,651 0.666,652 3.761,653 4.111,654 4.454,655 4.771,656 5.037,657 5.165,658 5.352,659 5.513,660 5.606,661 5.677,662 8.97,663 0.634,664 497.65,665 3.761,666 5.323,667 6.205,668 7.104,669 8.001,670 8.907,671 9.811,672 10.72,673 11.626,674 12.537,675 7.4,678 1,681 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,704 1,709 1,712 1,714 68,716 23,717 2,718 42,720 73,721 29,722 18,723 6,724 6,725 1,730 6,731 10,736 2,743 1,745 19,746 10,750 1,755 1,759 1,764 31,765 7,767 8,770 1,773 5,777 0.5,778 3,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 2,827 37,833 8,835 2,838 2,847 4.4,850 1,852 2,854 17.833,855 13,856 8.083,857 4.406,858 4.628,859 1.498,860 1.016,861 6.681,862 13.923,863 4.007,864 4.627,865 5.269,866 5.887,867 6.423,868 6.761,869 7.162,870 7.543,871 7.841,872 7.939,873 0.909,874 65,875 13.724,877 5.898,878 7.572,879 26.779,881 22.55,883 2.072,884 76.667,888 364.904,889 158.448,890 41.719,892 47.145,895 158.448,896 412.049,897 41.719,898 17.65,899 22.248,900 75.81,901 86.297,902 54.321,903 2.757,904 353.133,906 364.904,907 200.167,908 47.145,911 306.049,912 106,915 61.198,916 105.398,917 33.571,919 364.904,920 88.863,921 158.448,924 364.904,925 56.369,926 110.227,928 80.716,929 364.904,930 88.863,931 158.448,933 0.582,934 0.354,935 0.202,936 0.111,937 31,938 13,939 0.096,940 7,941 3,942 1.207,943 4.815,944 371.416,945 0.207,946 29,947 186.75,951 24.111,952 10.253,953 4.635,954 2.281,955 86.964,956 18.576,957 9.01,961 6.35,962 1.952,964 612.216,965 54,970 12.26,974 -0.409,975 67.978,976 76.517,977 0.249,978 0.594,979 0.805,980 0.9,981 0.909,982 0.909,983 5.265,984 1.861,985 6.192,986 5.739,987 4.796,988 5.316,989 2.414,990 7.047,991 4.7,992 6.47,993 1.631,994 7.774,995 5.526,996 4.369,997 5.156,998 0.57,999 8.032,1000 4.235,1001 7.788,1002 1.587,1003 9.458,1004 4.503,1005 6.425,1006 7.549,1007 3.052,1008 11.175,1009 6.24,1010 9.144,1011 1.421,1012 11.204,1013 4.227,1014 6.858,1015 8.269,1016 0.479,1017 13.015,1018 6.632,1019 10.537,1020 1.314,1021 12.991,1022 3.465,1023 8.356,1024 10.12,1025 3.917,1026 15.674,1027 8.086,1028 11.957,1029 1.249,1030 14.806,1031 3.15,1032 9.183,1033 11.245,1034 0.346,1035 17.853,1036 8.871,1037 13.396,1038 1,1039 16.641,1040 3.104,1041 10.464,1042 12.878,1043 4.876,1044 20.355,1045 10.11,1046 3.286,1047 0.916,1048 18.492,1049 2.275,1050 11.474,1051 14.192,1052 0.237,1053 22.674,1054 11.075,1055 3.139,1056 11.649,1057 20.354,1058 2.083,1059 12.672,1060 15.736,1061 5.874,1062 25.124,1063 12.231,1064 2.889,1065 10.856,1066 22.225,1067 4.474,1068 13.764,1069 17.137,1070 0.158,1071 27.503,1072 13.276,1073 2.646,1074 9.918,1075 24.105,1076 4.348,1077 14.934,1078 18.643,1079 6.891,1080 29.936,1081 14.403,1082 2.416,1083 8.004,1084 25.99,1085 3.859,1086 16.064,1087 20.086,1088 0.104,1089 32.342,1090 15.486,1091 2.314,1092 7.685,1093 27.88,1094 3.249,1095 17.227,1096 21.577,1097 7.915,1098 34.772,1099 16.602,1100 2.04,1101 6.872,1102 29.774,1103 2.991,1104 18.376,1105 23.04,1106 0.068,1107 37.192,1108 17.703,1109 22633,1110 35280,1111 28.838,1112 45.29,1113 63.817,1114 64.718,1115 65.483,1116 63.417,1117 63.427,1118 81.253,1119 8.85,1120 186.939,1121 60.373,1122 5.631,1123 5.717,1124 6.691,1125 5.343,1126 5.286,1127 7.474,1128 3.349,1129 19.279,1130 5.109,1131 15.186,1132 1.519,1133 1.541,1134 1.559,1135 1.51,1136 1.51,1137 1.935,1138 0.211,1139 4.451,1140 1.437,1141 4.116,1142 4.151,1143 4.079,1144 4.02,1145 7.433,1146 4.028,1147 4.064,1148 4.096,1149 4.032,1150 3.95,1151 5.007,1152 3.967,1153 3.823,1154 3.886,1155 3.746,1156 3.663,1157 4.97,1158 3.68,1159 3.735,1160 3.774,1161 3.655,1162 3.58,1163 4.656,1164 3.59,1165 3.527,1166 3.581,1167 3.418,1168 3.414,1169 4.445,1170 3.406,1171 3.501,1172 3.558,1173 3.368,1174 3.283,1175 4.43,1176 3.285,1177 3.328,1178 3.401,1179 3.175,1180 3.181,1181 4.302,1182 3.168,1183 3.154,1184 3.206,1185 3.028,1186 2.953,1187 4.276,1188 2.94,1189 0.11,1190 0.088,1191 0.165,1192 0.101,1193 0.078,1194 4.631,1195 0.107,1196 3.717,1197 0.04,1198 6.922,1199 0.277,1200 4.233,1201 0.074,1202 3.286,1203 4.474,1204 1.674,1205 11.649,1206 3.109,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.079,1217 1.253,1218 2.07,1219 1.748,1220 1.68,1221 1.94,1222 1.959,1223 1.166,1224 1.959,1225 1.585,1226 1.559,1227 1.81,1228 1.803,1229 0.979,1230 1.793,1231 1.523,1232 1.475,1233 1.737,1234 1.694,1235 0.936,1236 1.709,1237 1.461,1238 1.396,1239 1.686,1240 1.645,1241 0.825,1242 1.667,1243 1.363,1244 1.297,1245 1.594,1246 1.576,1247 0.814,1248 1.577,1249 1.259,1250 1.193,1251 1.513,1252 1.483,1253 0.783,1254 1.487,1255 4.443,1257 5.784,1258 2.398,1259 7.334,1260 4.727,1261 8.982,1262 6.862,1263 10.682,1265 3.828,1271 6.497,1273 11.32,1276 4.999,1280 43.1,1281 103.121,1282 245.701,1283 333.218,1284 372.438,1285 376.438,1286 376.438,1287 53.283,1288 9.294,1289 72.72,1290 72.72,1291 35,1292 13.052,1293 4.585,1294 3.7,1295 51.463,1296 204,1297 200,1298 0.123,1299 258.347,1300 444.83,1301 622.126,1302 187488,1304 25.355,1305 0.685,1306 0.576,1307 25.355,1308 21.314,1309 18.119,1310 0.431,1311 0.308,1312 12.746,1313 17.358,1314 12.441,1315 10.229,1316 18.119,1317 12.942,1318 16.226,1319 0.27,1320 0.159,1321 16.226,1322 9.56,1323 14.468,1324 0.17,1325 0.086,1326 14.468,1327 7.282,1328 12.772,1329 0.109,1330 0.046,1331 12.772,1332 5.362,1333 10.593,1334 0.069,1335 0.025,1336 10.593,1337 3.849,1338 0.199,1339 113.692,1340 0.186,1341 34.185,1342 0.319,1343 204,1344 561.432,1345 224.484,1346 535.626,1347 753.15,1348 508,1349 247,1350 571.63,1351 269.762,1352 574.322,1353 855.57,1354 543,1355 9.5} {0 CHEMBL1241641,1 1.648,2 14.889,3 5.507,4 30.331,5 132.143,6 7.961,7 0.537,8 4.257,9 4.372,10 3.887,11 3.782,12 5.336,13 3.786,14 4.854,15 5.027,16 4.344,17 4.195,18 6.272,19 4.194,20 5.073,21 5.279,22 4.372,23 4.373,24 6.177,25 4.328,26 5.171,27 5.384,28 4.306,29 4.419,30 6.171,31 4.336,32 5.2,33 5.447,34 4.196,35 4.391,36 6.08,37 4.281,38 5.197,39 5.45,40 4.19,41 4.286,42 6.301,43 4.19,44 5.04,45 5.301,46 3.976,47 4.125,48 6.002,49 4.028,50 4.897,51 5.14,52 3.877,53 4.026,54 5.875,55 3.93,56 0.096,57 1.164,58 11.276,59 5.688,60 18.577,61 6.878,62 0.943,63 2.255,64 25.557,65 9.342,66 139.721,67 11.684,68 0.759,69 2.238,70 32.591,71 11.827,72 62.209,73 15.913,74 0.748,75 2.358,76 37.433,77 14.928,78 62.706,79 19.523,80 0.632,81 2.253,82 40.814,83 15.48,84 61.469,85 21.288,86 1.125,87 2.324,88 42.906,89 14.889,90 115.499,91 19.729,92 0.704,93 1.927,94 36.648,95 12.252,96 70.084,97 16.515,98 0.616,99 1.752,100 30.603,101 10.926,102 61.456,103 14.277,104 18,105 61,106 0.262,107 0.577,108 0.745,109 0.846,110 0.856,111 0.856,112 3.615,113 0.886,114 -4.95,115 -4.85,116 -4.55,119 43.5,120 1,121 1,125 6,131 1,140 8,141 2,142 3,144 3,149 1,159 1,169 8,171 1,172 9,178 8,181 3,182 10,189 6,192 1,193 8,199 6,202 1,203 6,211 2,214 1,215 7,222 1,225 1,226 3,233 2,236 2,237 1,244 4,248 1,249 3,256 6,259 2288,260 24.297,261 24.297,262 24.297,263 24.297,264 24.297,265 21.766,266 31.158,267 13.906,268 25.092,269 20.269,270 20.269,271 20.269,272 20.269,273 20.269,274 16.31,275 40.328,276 6.61,277 21.682,278 4.306,279 2.329,280 1.27,281 0.637,282 0.573,283 0.573,284 4.334,289 1,290 1205,291 3.742,294 73.998,295 455.013,298 125.271,299 301.145,302 2.185,303 43.186,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 80,315 536,316 4.636,317 4.463,318 7.144,319 4.268,320 3.383,321 4.474,322 3.825,323 11.905,324 3.069,325 4.551,326 3.458,327 6.787,328 4.108,329 3.142,330 4.317,331 1.151,332 11.089,333 3.046,334 4.362,335 3.28,336 6.695,337 4.045,338 3.136,339 3.842,340 0.8,341 10.856,342 2.802,343 3.929,344 2.927,345 6.078,346 3.603,347 2.669,348 3.249,349 0.8,350 8.757,351 2.479,352 3.854,353 2.831,354 5.807,355 3.533,356 2.599,357 3.211,359 8.001,360 2.397,361 3.533,362 2.633,363 5.34,364 3.298,365 2.364,366 2.735,368 6.904,369 2.208,370 3.349,371 2.275,372 5.178,373 3.01,374 2.047,375 2.552,377 6.06,378 1.964,379 3.245,380 2.256,381 4.961,382 2.891,383 1.936,384 2.438,386 5.727,387 1.843,388 3.028,389 2.096,390 4.562,391 2.582,392 1.644,393 2.243,395 4.517,396 1.561,397 2.943,398 1.702,399 4.518,400 2.543,401 1.592,402 2.102,404 4.449,405 1.481,406 2.779,407 1.647,408 4.424,409 2.4,410 1.42,411 1.849,413 3.949,414 1.388,415 2.734,416 1.477,417 4.036,418 2.322,419 1.373,420 1.8,422 3.463,423 1.286,424 2.506,425 1.358,426 3.864,427 2.108,428 1.193,429 1.507,431 3.024,432 1.075,433 2.257,434 1.146,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 0.913,444 3.386,445 1.83,446 0.855,447 1,449 2.048,450 0.832,451 16.69,452 0.464,453 1.066,454 0.03,455 46,456 1.278,457 21,458 0.583,459 25,460 0.694,461 33.348,462 0.926,463 39.11,464 0.631,465 37.274,466 1.035,467 9.1,468 0.253,469 8.265,470 0.23,471 0.081,472 0.03,473 0.342,476 3,479 0.616,480 1.154,481 0.665,482 1.132,483 0.553,484 0.967,485 0.643,486 0.84,487 0.762,488 0.884,489 0.346,490 0.851,491 0.59,492 0.715,493 0.885,494 0.908,495 0.39,496 0.953,497 0.663,498 0.847,499 0.979,500 1.139,501 0.599,502 1.162,503 0.54,504 0.817,505 0.889,506 1.052,507 0.427,508 1.074,509 0.768,510 0.97,511 0.98,512 1.058,513 0.837,514 1.076,515 0.859,516 0.874,517 1.002,518 0.979,519 0.702,520 1.016,521 0.877,522 0.962,523 1.074,524 1.088,525 0.771,526 1.131,527 8,528 0.222,529 4.889,530 2.313,531 2.562,532 1.257,533 0.909,534 0.56,535 0.336,536 0.239,537 22902,538 65888,539 2.161,540 41.9,542 20,543 1,546 3,547 2,550 1.768,551 2.028,552 3.805,553 -0.744,559 102.202,560 1.648,561 3.625,562 4.684,563 5.317,564 5.381,565 5.381,566 3.251,567 4.628,568 5.144,569 4.022,570 2533.86,571 9.005,572 41584.7,577 369.16,578 1.511,579 5.101,580 0.195,581 0.007,582 0.08,583 0.037,584 0.045,585 0.025,586 0.019,587 0.014,588 0.01,589 0.008,590 0.44,591 0.33,592 0.75,593 0.639,594 199.074,595 -0.024,596 -0.188,597 0.065,598 -0.104,599 -0.067,600 -0.021,601 0.258,602 0.17,603 0.114,604 0.078,605 0.432,606 0.065,607 0.073,608 0.124,609 -0.013,610 0.034,611 0.104,613 0.051,614 -0.016,615 -0.076,616 -0.136,617 0.004,618 -0.149,619 0.034,620 -0.1,621 0.039,622 -0.065,623 0.028,624 -0.028,625 0.131,626 -0.072,627 0.027,628 -0.077,629 0.055,630 -0.059,631 -0.061,632 -0.075,633 -0.006,634 -0.027,635 -0.012,636 -0.006,637 -0.047,638 -0.107,639 -0.1,640 -0.116,641 -0.018,642 -0.126,643 5.73,644 5.156,645 0.806,646 41.481,647 1.016,648 1.14,649 3.719,650 13.83,651 0.668,652 3.738,653 4.127,654 4.431,655 4.736,656 5.037,657 5.17,658 5.318,659 5.489,660 5.602,661 5.649,662 8.658,663 0.65,664 493.58,665 3.738,666 5.323,667 6.201,668 7.111,669 8.006,670 8.918,671 9.82,672 10.732,673 11.638,674 12.551,675 8.1,678 1,681 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,709 1,712 1,714 62,716 22,717 2,718 41,720 67,721 27,722 18,723 6,724 6,730 6,731 10,736 2,742 1,743 1,745 18,746 9,762 3,764 26,765 8,767 9,770 1,773 5,777 0.5,778 1,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 1,825 3,827 36,833 7,835 1,838 2,839 1,846 3,847 1.6,852 1,854 17.75,855 11.595,856 7.528,857 3.85,858 4.5,859 1.488,860 1.041,861 5.896,862 13.722,863 3.97,864 4.618,865 5.24,866 5.859,867 6.418,868 6.751,869 7.122,870 7.509,871 7.817,872 7.892,873 0.9,874 63,875 13.824,877 6.501,878 7.896,879 25.524,881 21.857,883 2.396,884 86.25,888 306.049,889 145.599,890 41.719,892 11,893 44.88,895 145.599,896 317.049,897 86.599,898 8.825,899 17.655,900 84.857,901 35.899,902 88.201,903 11.771,904 294.278,905 7.76,906 306.049,907 187.317,908 55.88,911 282.506,912 79.422,915 49.249,916 104.497,917 33.571,919 350.929,920 52.719,921 145.599,924 313.808,925 44.156,926 101.83,928 89.451,929 306.049,930 97.599,931 145.599,933 0.6,934 0.348,935 0.189,936 0.11,937 33,938 14,939 0.06,940 4,941 3,942 1.207,943 4.691,944 361.671,945 0.207,946 29,947 175.362,951 23.328,952 9.098,953 4.479,954 2.198,955 95.7,956 17.201,957 8.383,961 3.866,962 1.504,964 549.246,965 52,975 62.978,976 70.702,977 0.277,978 0.609,979 0.787,980 0.893,981 0.904,982 0.904,983 5.255,984 1.936,985 6.229,986 6.06,987 4.812,988 5.306,989 3.235,990 7.107,991 4.683,992 6.485,993 1.644,994 7.833,995 5.727,996 4.575,997 5.223,998 3.919,999 8.247,1000 4.299,1001 7.821,1002 1.592,1003 9.544,1004 4.517,1005 6.509,1006 7.551,1007 5.44,1008 11.314,1009 6.235,1010 9.192,1011 1.42,1012 11.32,1013 4.449,1014 7.074,1015 8.29,1016 6.69,1017 13.255,1018 6.652,1019 10.597,1020 1.373,1021 13.137,1022 3.949,1023 8.52,1024 10.121,1025 8.059,1026 15.891,1027 8.08,1028 12.025,1029 1.193,1030 14.982,1031 3.463,1032 9.433,1033 11.243,1034 9.389,1035 18.133,1036 8.864,1037 13.471,1038 1,1039 16.847,1040 3.024,1041 10.702,1042 12.87,1043 10.734,1044 20.636,1045 10.09,1046 3.383,1047 0.855,1048 18.728,1049 2.275,1050 11.766,1051 14.177,1052 12.074,1053 22.996,1054 11.046,1055 3.142,1056 11.905,1057 20.62,1058 2.048,1059 12.973,1060 15.716,1061 13.417,1062 25.456,1063 12.193,1064 3.136,1065 11.089,1066 22.522,1067 4.474,1068 14.104,1069 17.112,1070 14.758,1071 27.864,1072 13.228,1073 2.669,1074 10.856,1075 24.43,1076 4.317,1077 15.291,1078 18.615,1079 16.1,1080 30.312,1081 14.345,1082 2.599,1083 8.757,1084 26.345,1085 3.842,1086 16.452,1087 20.053,1088 17.441,1089 32.742,1090 15.417,1091 2.364,1092 8.001,1093 28.265,1094 3.249,1095 17.636,1096 21.541,1097 18.783,1098 35.188,1099 16.525,1100 2.047,1101 6.904,1102 30.189,1103 3.211,1104 18.812,1105 23.001,1106 20.124,1107 37.628,1108 17.615,1109 20829,1110 35801,1111 27.739,1112 41.432,1113 63.602,1114 63.063,1115 64.198,1116 63.27,1117 63.066,1118 79.846,1119 13.152,1120 192.038,1121 58.99,1122 5.636,1123 6.463,1124 6.673,1125 5.378,1126 5.383,1127 7.474,1128 5.335,1129 19.353,1130 5.069,1131 16.982,1132 1.551,1133 1.538,1134 1.566,1135 1.543,1136 1.538,1137 1.947,1138 0.321,1139 4.684,1140 1.439,1141 4.115,1142 4.152,1143 4.079,1144 4.02,1145 8.513,1146 4.027,1147 4.064,1148 4.097,1149 4.033,1150 3.946,1151 7.999,1152 3.963,1153 3.825,1154 3.888,1155 3.755,1156 3.656,1157 7.999,1158 3.675,1159 3.735,1160 3.781,1161 3.66,1162 3.576,1163 5.004,1164 3.588,1165 3.517,1166 3.57,1167 3.416,1168 3.413,1169 4.969,1170 3.406,1171 3.364,1172 3.425,1173 3.332,1174 3.185,1175 4.617,1176 3.177,1177 3.3,1178 3.356,1179 3.168,1180 3.04,1181 4.44,1182 3.081,1183 3.111,1184 3.206,1185 2.966,1186 2.952,1187 4.289,1188 2.939,1189 0.113,1190 0.109,1191 0.174,1192 0.104,1193 0.083,1194 4.636,1195 0.109,1196 4.463,1197 0.093,1198 7.144,1199 0.29,1200 4.268,1201 0.075,1202 3.383,1203 4.474,1204 3.825,1205 11.905,1206 3.069,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.955,1214 1.931,1215 2.054,1216 2.077,1217 1.251,1218 2.069,1219 1.747,1220 1.678,1221 1.939,1222 1.959,1223 1.163,1224 1.958,1225 1.531,1226 1.482,1227 1.736,1228 1.731,1229 0.946,1230 1.71,1231 1.486,1232 1.447,1233 1.671,1234 1.699,1235 0.825,1236 1.662,1237 1.464,1238 1.413,1239 1.571,1240 1.643,1241 0.807,1242 1.66,1243 1.313,1244 1.247,1245 1.53,1246 1.505,1247 0.745,1248 1.529,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.619,1254 1.429,1255 4.419,1257 5.79,1258 2.398,1259 7.356,1260 4.727,1261 9.01,1262 6.88,1263 10.71,1265 2.008,1267 39.469,1271 5.367,1273 5.888,1276 4.846,1277 -4.48,1280 40.293,1281 102.202,1282 224.779,1283 290.431,1284 329.65,1285 333.65,1286 333.65,1287 59.673,1288 9.222,1289 46.42,1290 46.42,1291 35,1292 13.065,1293 4.524,1294 3.585,1295 49.439,1296 193,1297 174,1298 0.125,1299 237.692,1300 413.5,1301 571.728,1302 170640,1303 4.8,1304 24.863,1305 0.691,1306 0.553,1307 22.363,1308 19.924,1309 17.364,1310 0.424,1311 0.295,1312 11.885,1313 16.528,1314 11.677,1315 9.527,1316 16.153,1317 12.109,1318 16.849,1319 0.276,1320 0.153,1321 14.892,1322 9.339,1323 14.071,1324 0.17,1325 0.084,1326 13.082,1327 7.009,1328 12.048,1329 0.107,1330 0.045,1331 11.629,1332 5.134,1333 10.491,1334 0.069,1335 0.025,1336 9.958,1337 3.787,1338 0.203,1339 109.885,1340 0.19,1341 33.339,1342 0.326,1343 204,1344 722.294,1345 235.967,1346 616.246,1347 835.41,1348 578,1349 246,1350 613.891,1351 274.824,1352 599.991,1353 910.99,1354 566,1355 9.9} {0 CHEMBL1241642,1 1.439,2 13.375,3 4.021,4 16.171,5 126.941,6 7.213,7 0.595,8 4.192,9 4.315,10 3.764,11 3.745,12 5.191,13 3.723,14 4.765,15 4.95,16 4.137,17 4.164,18 5.693,19 4.127,20 5.008,21 5.22,22 4.203,23 4.343,24 5.878,25 4.266,26 5.112,27 5.337,28 4.126,29 4.378,30 5.939,31 4.26,32 5.131,33 5.391,34 3.981,35 4.335,36 5.871,37 4.185,38 5.062,39 5.334,40 3.861,41 4.222,42 5.785,43 4.062,44 4.952,45 5.227,46 3.725,47 4.062,48 5.678,49 3.914,50 4.795,51 5.055,52 3.617,53 3.96,54 5.515,55 3.811,56 0.033,57 0.904,58 12.602,59 5.255,60 8.213,61 7.175,62 0.241,63 1.535,64 24.727,65 8.591,66 20.217,67 12.057,68 0.345,69 1.875,70 32.384,71 11.614,72 26.75,73 16.483,74 0.349,75 1.955,76 36.736,77 14.227,78 33.552,79 19.871,80 0.356,81 1.953,82 38.675,83 14.603,84 31.83,85 21.038,86 0.273,87 1.831,88 36.258,89 13.459,90 28.742,91 19.707,92 0.355,93 1.614,94 33.228,95 11.361,96 30.646,97 16.52,98 0.334,99 1.393,100 27.857,101 9.965,102 22.636,103 14.354,104 2,105 53,106 0.231,107 0.557,108 0.743,109 0.85,110 0.861,111 0.861,112 3.502,113 0.921,114 -4.18,115 -4.13,116 -3.9,119 44.1,120 1,121 1,125 6,140 8,141 2,142 3,143 1,144 2,150 1,158 1,169 8,171 1,172 9,178 8,181 2,182 10,189 6,192 2,193 8,199 6,202 1,203 6,211 2,214 1,215 7,222 1,225 1,226 3,233 2,236 2,237 1,244 4,248 1,249 3,256 6,259 1634,260 22.378,261 22.378,262 22.378,263 22.378,264 22.378,265 19.78,266 26.703,267 13.067,268 22.934,269 18.295,270 18.295,271 18.295,272 18.295,273 18.295,274 14.355,275 32.787,276 6.18,277 19.214,278 4.444,279 2.412,280 1.254,281 0.589,282 0.521,283 0.521,284 4.23,288 1,289 1,290 984,291 2.739,294 66.059,295 390.4,298 110.266,299 258.748,302 2.016,303 16.124,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67.5,315 428,316 4.555,317 3.458,318 6.808,319 4.157,320 3.211,321 4.474,322 1.151,323 11.25,324 3.046,325 4.551,326 3.28,327 6.695,328 4.108,329 3.139,330 4.252,331 0.8,332 10.856,333 3.037,334 4.036,335 2.921,336 6.08,337 3.639,338 2.687,339 3.622,340 0.8,341 8.75,342 2.559,343 3.855,344 2.823,345 5.807,346 3.562,347 2.618,348 3.249,350 8.001,351 2.46,352 3.535,353 2.631,354 5.338,355 3.302,356 2.366,357 2.736,359 6.901,360 2.216,361 3.352,362 2.275,363 5.158,364 3.013,365 2.048,366 2.575,368 5.968,369 1.972,370 3.251,371 2.255,372 4.961,373 2.904,374 1.935,375 2.446,377 5.725,378 1.872,379 3.028,380 2.04,381 4.561,382 2.581,383 1.631,384 2.243,386 4.503,387 1.562,388 2.941,389 1.649,390 4.431,391 2.532,392 1.586,393 2.105,395 4.217,396 1.479,397 2.779,398 1.477,399 4.036,400 2.4,401 1.419,402 1.848,404 3.464,405 1.388,406 2.689,407 1.421,408 3.836,409 2.275,410 1.313,411 1.751,413 3.077,414 1.255,415 2.424,416 1.162,417 3.452,418 1.967,419 1.041,420 1.396,422 2.374,423 0.965,424 2.256,425 1.146,426 3.414,427 1.961,428 1,429 1.166,431 2.275,432 0.955,433 2,434 0.903,435 3.377,436 1.82,437 0.848,438 1,440 2.028,441 0.823,442 1.956,443 0.753,444 3.29,445 1.624,446 0.662,447 0.836,449 1.663,450 0.634,451 15.333,452 0.479,453 0.671,454 0.021,455 43.25,456 1.352,457 21,458 0.656,459 22.25,460 0.695,461 27.452,462 0.858,463 33.267,464 0.564,465 30.207,466 0.944,467 8.416,468 0.263,469 7.343,470 0.229,471 0.033,473 0.339,479 0.895,480 1.449,481 0.78,482 1.125,483 0.763,484 0.97,485 1.392,486 1.082,487 0.93,488 0.877,489 0.969,490 0.85,491 1.14,492 0.977,493 1.034,494 0.969,495 0.911,496 0.976,497 1.063,498 1.079,499 1.079,500 1.134,501 0.996,502 1.123,503 0.851,504 0.987,505 1.03,506 1.034,507 0.92,508 1.053,509 0.705,510 1.054,511 1.013,512 1.098,513 0.899,514 1.088,515 1.221,516 0.941,517 1.084,518 0.971,519 1.223,520 1.007,521 1.074,522 0.969,523 1.119,524 1.032,525 1.013,526 1.078,527 5,528 0.123,529 4,530 1.813,531 1.787,532 0.868,533 0.542,534 0.353,535 0.218,536 0.179,537 17262,538 37868,539 2.25,540 45.8,542 20,544 2,546 3,547 2,550 1.738,551 2.182,552 3.667,553 -0.805,555 1,559 84.873,560 1.439,561 3.471,562 4.629,563 5.294,564 5.361,565 5.361,566 3.061,567 4.75,568 4.977,569 3.864,570 1916.74,571 8.665,572 28707.2,574 1,577 347.076,578 1.11,579 4.962,580 0.135,581 0.005,582 0.075,583 0.033,584 0.036,585 0.021,586 0.015,587 0.011,588 0.008,589 0.007,590 0.347,591 0.5,592 0.88,593 0.313,594 170.143,595 0.035,596 -0.297,597 0.1,598 -0.112,599 0.081,600 -0.019,601 -0.12,602 0.044,603 0.029,604 0.075,605 0.01,606 0.072,607 -0.046,608 0.093,609 -0.071,610 -0.003,611 0.014,612 -0.028,613 -0.001,614 -0.109,615 -0.108,616 -0.128,617 0.015,618 -0.133,619 -0.008,620 -0.048,621 -0.05,622 -0.032,623 -0.067,624 -0.046,625 0.033,626 -0.112,627 -0.03,628 -0.109,629 -0.067,630 -0.081,631 -0.101,632 0.008,633 -0.064,634 -0.01,635 -0.192,636 -0.03,637 -0.019,638 -0.013,639 -0.118,640 -0.056,641 -0.112,642 -0.095,643 0.915,644 2.61,645 0.906,646 31.5,647 0.992,648 1.123,649 2.953,650 8.722,651 0.676,652 3.638,653 3.989,654 4.331,655 4.644,656 4.905,657 4.997,658 5.153,659 5.288,660 5.366,661 5.416,662 7.868,663 0.638,664 425.58,665 3.638,666 5.198,667 6.08,668 6.976,669 7.87,670 8.77,671 9.667,672 10.568,673 11.467,674 12.369,675 8.5,678 1,681 1,683 1,685 2,687 2,688 10,689 2,693 6,694 1,695 22,709 1,712 1,714 59,716 22,717 2,718 37,720 64,721 26,722 18,723 6,724 6,730 6,731 10,736 1,743 1,745 18,746 8,761 1,764 27,765 5,767 6,770 1,773 5,777 0.5,778 1,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 1,827 32,833 7,835 1,838 2,847 1.7,852 1,854 14.667,855 11,856 6.861,857 3.714,858 4.428,859 1.499,860 1.048,861 5.087,862 13.295,863 3.892,864 4.525,865 5.166,866 5.786,867 6.316,868 6.618,869 7.001,870 7.358,871 7.631,872 7.642,873 0.889,874 55,875 11.84,877 5.099,878 7.417,879 23.501,881 20.138,883 1.917,884 61.333,887 1,888 317.82,889 144.13,890 41.719,892 11,895 144.13,896 328.82,897 41.719,898 8.825,899 17.655,900 75.81,901 65.732,902 49.611,903 2.757,904 294.278,906 317.82,907 185.849,908 11,911 294.278,912 34.542,915 54.071,916 98.207,917 33.571,919 317.82,920 52.719,921 144.13,924 317.82,925 41.829,926 110.449,928 44.571,929 317.82,930 52.719,931 144.13,933 0.586,934 0.355,935 0.203,936 0.111,937 29,938 11,939 0.063,940 4,941 3,942 1.207,943 4.484,944 308.088,945 0.207,946 29,947 152,951 19.776,952 8.231,953 3.693,954 2.332,955 50.82,956 20.976,957 8.974,961 6.859,962 2.141,964 514.668,965 48,975 58.556,976 66.268,977 0.245,978 0.59,979 0.787,980 0.9,981 0.911,982 0.911,983 5.145,984 1.631,985 6.061,986 5.725,987 4.673,988 5.212,989 1.717,990 6.903,991 4.578,992 6.346,993 1.586,994 7.632,995 4.503,996 4.205,997 4.997,998 0.57,999 7.854,1000 4.059,1001 7.658,1002 1.419,1003 9.304,1004 4.217,1005 6.29,1006 7.445,1007 1.692,1008 10.99,1009 6.102,1010 9.009,1011 1.313,1012 11.039,1013 3.464,1014 6.686,1015 8.122,1016 0.479,1017 12.803,1018 6.445,1019 10.396,1020 1.041,1021 12.816,1022 3.077,1023 8.2,1024 10.004,1025 1.822,1026 15.449,1027 7.922,1028 11.808,1029 1,1030 14.621,1031 2.374,1032 8.999,1033 11.101,1034 0.346,1035 17.607,1036 8.67,1037 13.24,1038 0.848,1039 16.446,1040 2.275,1041 10.284,1042 12.75,1043 2.014,1044 20.093,1045 9.918,1046 3.211,1047 0.662,1048 18.287,1049 2.028,1050 11.272,1051 14.047,1052 0.237,1053 22.392,1054 10.858,1055 3.139,1056 11.25,1057 20.141,1058 1.663,1059 12.468,1060 15.597,1061 2.237,1062 24.824,1063 12.015,1064 2.687,1065 10.856,1066 22.003,1067 4.474,1068 13.543,1069 16.989,1070 0.158,1071 27.182,1072 13.044,1073 2.618,1074 8.75,1075 23.874,1076 4.252,1077 14.705,1078 18.497,1079 2.479,1080 29.595,1081 14.166,1082 2.366,1083 8.001,1084 25.75,1085 3.622,1086 15.82,1087 19.934,1088 0.104,1089 31.979,1090 15.236,1091 2.048,1092 6.901,1093 27.632,1094 3.249,1095 16.972,1096 21.425,1097 2.733,1098 34.387,1099 16.346,1100 1.935,1101 5.968,1102 29.518,1103 2.736,1104 18.107,1105 22.885,1106 0.068,1107 36.783,1108 17.436,1109 15349,1110 22891,1111 25.948,1112 39.858,1113 56.296,1114 56.16,1115 57.028,1116 56.006,1117 56.022,1118 72.584,1119 5.502,1120 164.536,1121 53.37,1122 5.555,1123 5.458,1124 6.345,1125 5.266,1126 5.211,1127 7.474,1128 2.302,1129 18.664,1130 5.046,1131 7.936,1132 1.522,1133 1.518,1134 1.541,1135 1.514,1136 1.514,1137 1.962,1138 0.149,1139 4.447,1140 1.442,1141 4.109,1142 4.145,1143 4.067,1144 4.019,1145 5.03,1146 4.025,1147 4.057,1148 4.091,1149 4.022,1150 3.943,1151 4.976,1152 3.957,1153 3.814,1154 3.883,1155 3.717,1156 3.636,1157 4.676,1158 3.649,1159 3.703,1160 3.753,1161 3.626,1162 3.562,1163 4.441,1164 3.571,1165 3.514,1166 3.568,1167 3.411,1168 3.413,1169 4.304,1170 3.405,1171 3.326,1172 3.399,1173 3.175,1174 3.18,1175 4.277,1176 3.167,1177 3.123,1178 3.206,1179 3.004,1180 2.953,1181 3.972,1182 2.94,1183 3.111,1184 3.174,1185 2.93,1186 2.941,1187 3.829,1188 2.91,1189 0.123,1190 0.093,1191 0.184,1192 0.112,1193 0.087,1194 4.555,1195 0.121,1196 3.458,1197 0.031,1198 6.808,1199 0.304,1200 4.157,1201 0.082,1202 3.211,1203 4.474,1204 1.151,1205 11.25,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.957,1214 1.934,1215 2.055,1216 2.078,1217 1.252,1218 2.07,1219 1.747,1220 1.678,1221 1.94,1222 1.959,1223 1.166,1224 1.958,1225 1.538,1226 1.49,1227 1.738,1228 1.704,1229 0.968,1230 1.715,1231 1.503,1232 1.456,1233 1.693,1234 1.649,1235 0.825,1236 1.671,1237 1.354,1238 1.288,1239 1.598,1240 1.565,1241 0.812,1242 1.57,1243 1.237,1244 1.163,1245 1.513,1246 1.477,1247 0.777,1248 1.475,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.429,1255 4.317,1257 5.659,1258 2.398,1259 7.21,1260 4.595,1261 8.858,1262 6.605,1263 10.557,1265 2.05,1271 6.825,1273 6.11,1276 5.068,1280 37.617,1281 84.873,1282 204.76,1283 273.102,1284 312.321,1285 316.321,1286 316.321,1287 35.8,1288 8.867,1289 46.42,1290 46.42,1291 35,1292 12.89,1293 4.524,1294 3.585,1295 41.726,1296 156,1297 136,1298 0.13,1299 224.505,1300 377.99,1301 539.551,1302 113032,1304 21.493,1305 0.672,1306 0.574,1307 21.493,1308 18.368,1309 15.759,1310 0.426,1311 0.307,1312 11.211,1313 15.204,1314 10.948,1315 8.994,1316 15.759,1317 11.361,1318 14.246,1319 0.269,1320 0.164,1321 14.246,1322 8.684,1323 12.815,1324 0.171,1325 0.089,1326 12.815,1327 6.673,1328 11.315,1329 0.11,1330 0.048,1331 11.315,1332 4.924,1333 9.492,1334 0.071,1335 0.027,1336 9.492,1337 3.564,1338 0.21,1339 98.096,1340 0.196,1341 30.264,1342 0.34,1343 180,1344 437.961,1345 194.284,1346 428.05,1347 613.52,1348 408,1349 218,1350 475.187,1351 235.002,1352 482.342,1353 714.82,1354 456,1355 9.9} {0 CHEMBL1241736,1 1.483,2 14.771,3 4.19,4 17.554,5 136.972,6 7.307,7 0.55,8 4.268,9 4.387,10 3.842,11 3.818,12 5.297,13 3.799,14 4.841,15 5.025,16 4.227,17 4.232,18 5.814,19 4.2,20 5.084,21 5.284,22 4.323,23 4.414,24 6.055,25 4.352,26 5.191,27 5.403,28 4.279,29 4.465,30 6.103,31 4.367,32 5.248,33 5.497,34 4.131,35 4.435,36 6.099,37 4.299,38 5.178,39 5.448,40 4.003,41 4.324,42 5.952,43 4.177,44 5.038,45 5.298,46 3.887,47 4.179,48 5.849,49 4.047,50 4.914,51 5.162,52 3.779,53 4.094,54 5.719,55 3.955,56 0.017,57 0.967,58 13.327,59 5.756,60 7.869,61 7.715,62 0.233,63 1.635,64 26.458,65 9.408,66 21.998,67 13.04,68 0.435,69 2.005,70 34.741,71 12.327,72 42.89,73 17.151,74 0.397,75 2.133,76 39.183,77 14.975,78 40.964,79 20.748,80 0.551,81 2.163,82 43.662,83 15.979,84 58.053,85 22.66,86 0.349,87 2.011,88 41.198,89 15.049,90 40.976,91 21.771,92 0.378,93 1.757,94 35.782,95 12.431,96 40.617,97 17.802,98 0.357,99 1.56,100 31.092,101 11.321,102 32.263,103 16.049,104 11,105 58,106 0.234,107 0.56,108 0.738,109 0.849,110 0.859,111 0.859,112 3.588,113 0.918,114 -4.02,115 -3.97,116 -3.76,119 43.8,120 2,121 1,125 6,140 8,141 2,142 3,144 3,150 1,155 1,158 1,169 8,171 1,172 10,178 8,181 3,182 11,189 6,192 3,193 9,199 6,202 2,203 7,211 2,214 1,215 8,222 2,225 1,226 5,233 4,236 2,237 3,244 6,248 1,249 3,256 6,259 2110,260 24.085,261 24.085,262 24.085,263 24.085,264 24.085,265 21.343,266 29.131,267 13.922,268 24.586,269 19.746,270 19.746,271 19.746,272 19.746,273 19.746,274 15.515,275 35.319,276 6.552,277 20.586,278 4.517,279 2.447,280 1.324,281 0.617,282 0.555,283 0.555,284 4.31,289 1,290 1168,291 3.317,294 72.028,295 435.927,298 120.911,299 288.409,302 2.147,303 25.111,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 74.5,315 517,316 4.628,317 3.638,318 6.916,319 4.231,320 3.283,321 4.474,322 1.277,323 11.624,324 3.117,325 4.551,326 3.393,327 6.695,328 4.108,329 3.139,330 4.346,331 1.151,332 10.856,333 3.046,334 4.238,335 3.279,336 6.422,337 3.854,338 2.873,339 3.854,340 0.8,341 9.828,342 2.82,343 3.856,344 2.918,345 5.808,346 3.581,347 2.645,348 3.249,349 0.8,350 8.003,351 2.473,352 3.659,353 2.825,354 5.735,355 3.354,356 2.4,357 2.954,359 7.501,360 2.301,361 3.52,362 2.633,363 5.326,364 3.245,365 2.278,366 2.734,368 6.859,369 2.184,370 3.334,371 2.295,372 4.981,373 3,374 2.038,375 2.496,377 5.735,378 1.954,379 3.141,380 2.255,381 4.954,382 2.776,383 1.78,384 2.316,386 5.174,387 1.767,388 3.027,389 2.077,390 4.561,391 2.581,392 1.627,393 2.238,395 4.5,396 1.561,397 2.938,398 1.651,399 4.434,400 2.527,401 1.58,402 2.098,404 4.215,405 1.476,406 2.778,407 1.479,408 4.036,409 2.399,410 1.418,411 1.846,413 3.464,414 1.387,415 2.689,416 1.448,417 3.879,418 2.275,419 1.313,420 1.75,422 3.108,423 1.255,424 2.466,425 1.375,426 3.68,427 1.985,428 1.034,429 1.4,431 2.536,432 0.975,433 2.258,434 1.146,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2.006,443 0.94,444 3.387,445 1.83,446 0.852,447 1,449 2.046,450 0.831,451 16.667,452 0.476,453 0.849,454 0.024,455 46.5,456 1.329,457 22.5,458 0.643,459 24,460 0.686,461 31.827,462 0.909,463 36.733,464 0.574,465 34.979,466 0.999,467 9.07,468 0.259,469 8.01,470 0.229,471 0.08,473 0.372,479 0.781,480 1.439,481 0.768,482 1.133,483 0.583,484 0.977,485 1.146,486 1.099,487 0.862,488 0.88,489 0.645,490 0.83,491 1.119,492 0.993,493 1.015,494 0.943,495 0.97,496 0.952,497 0.946,498 1.124,499 1.069,500 1.159,501 0.714,502 1.138,503 0.921,504 0.987,505 1.072,506 1.035,507 0.873,508 1.069,509 0.768,510 0.995,511 0.97,512 1.028,513 0.589,514 1.025,515 1.077,516 0.97,517 1.078,518 1.003,519 0.85,520 1.032,521 0.97,522 1.014,523 1.126,524 1.088,525 0.827,526 1.123,527 6,528 0.189,529 4.667,530 2.41,531 2.237,532 1.122,533 0.74,534 0.482,535 0.291,536 0.219,537 21419,538 50214,539 2.191,540 45.3,542 20,544 1,546 6,547 2,550 1.761,551 2.079,552 3.8,553 -0.794,559 94.903,560 1.483,561 3.553,562 4.676,563 5.383,564 5.445,565 5.445,566 3.248,567 4.786,568 5.104,569 3.994,570 2376.43,571 8.922,572 38142.5,577 384,578 1.313,579 5.074,580 0.15,581 0.006,582 0.08,583 0.039,584 0.039,585 0.023,586 0.018,587 0.013,588 0.009,589 0.008,590 0.385,591 0.33,592 0.75,593 0.597,594 191.831,595 0.012,596 -0.279,597 0.088,598 -0.104,599 -0.002,600 -0.018,601 -0.081,602 0.025,603 0.081,604 0.083,605 0.036,606 0.103,607 -0.032,608 0.091,609 -0.056,610 0.022,611 0.001,612 -0.009,613 0.033,614 -0.117,615 -0.111,616 -0.161,617 0.026,618 -0.157,619 0.025,620 -0.034,621 -0.084,622 -0.042,623 -0.003,624 -0.072,625 0.011,626 -0.058,627 0.021,628 -0.037,629 0.013,630 -0.012,631 -0.089,632 -0.005,633 -0.074,634 -0.035,635 -0.065,636 -0.048,637 -0.029,638 -0.048,639 -0.139,640 -0.103,641 -0.045,642 -0.133,643 1.698,644 4.883,645 0.829,646 39.053,647 0.996,648 1.123,649 2.789,650 7.78,651 0.673,652 3.714,653 4.078,654 4.419,655 4.736,656 5.004,657 5.124,658 5.303,659 5.455,660 5.529,661 5.591,662 8.489,663 0.638,664 467.62,665 3.714,666 5.283,667 6.168,668 7.071,669 7.969,670 8.877,671 9.781,672 10.69,673 11.597,674 12.507,675 7.8,678 1,681 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,700 1,709 1,712 1,714 64,716 23,717 2,718 40,720 69,721 28,722 18,723 6,724 6,725 1,730 6,731 10,736 2,743 1,745 19,746 9,750 1,755 1,759 1,764 29,765 6,767 7,770 1,773 5,777 0.5,778 2,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 2,827 35,833 7,835 1,838 2,847 3.1,850 1,852 1,854 16.833,855 12.333,856 7.5,857 4.031,858 4.609,859 1.504,860 1.031,861 5.792,862 13.754,863 3.97,864 4.608,865 5.248,866 5.87,867 6.408,868 6.741,869 7.137,870 7.514,871 7.803,872 7.887,873 0.9,874 62,875 12.974,877 5.611,878 7.548,879 25.428,881 21.67,883 2.048,884 71.667,888 341.362,889 151.798,890 41.719,892 36.145,895 151.798,896 377.507,897 41.719,898 17.65,899 17.655,900 75.81,901 84.239,902 43.321,903 2.757,904 329.591,906 341.362,907 193.517,908 36.145,911 317.82,912 59.687,915 56.605,916 103.34,917 33.571,919 341.362,920 77.864,921 151.798,924 341.362,925 49.719,926 110.227,928 69.716,929 341.362,930 77.864,931 151.798,933 0.59,934 0.356,935 0.201,936 0.112,937 31,938 13,939 0.072,940 5,941 3,942 1.207,943 4.649,944 347.696,945 0.207,946 29,947 173.525,951 22.268,952 9.104,953 4.112,954 2.293,955 75.965,956 18.694,957 9.014,961 6.728,962 1.998,964 571.023,965 52,970 11.883,974 -0.032,975 63.767,976 71.893,977 0.247,978 0.592,979 0.779,980 0.897,981 0.908,982 0.908,983 5.234,984 1.78,985 6.163,986 5.735,987 4.762,988 5.296,989 2.178,990 7.022,991 4.681,992 6.448,993 1.627,994 7.749,995 5.174,996 4.369,997 5.156,998 0.57,999 8.017,1000 4.256,1001 7.77,1002 1.58,1003 9.436,1004 4.5,1005 6.399,1006 7.538,1007 2.376,1008 11.153,1009 6.237,1010 9.129,1011 1.418,1012 11.184,1013 4.215,1014 6.847,1015 8.264,1016 0.479,1017 12.995,1018 6.649,1019 10.524,1020 1.313,1021 12.972,1022 3.464,1023 8.335,1024 10.113,1025 2.7,1026 15.652,1027 8.094,1028 11.944,1029 1.034,1030 14.788,1031 3.108,1032 9.169,1033 11.239,1034 0.346,1035 17.832,1036 8.887,1037 13.384,1038 1,1039 16.624,1040 2.536,1041 10.446,1042 12.874,1043 3.076,1044 20.332,1045 10.124,1046 3.283,1047 0.852,1048 18.474,1049 2.275,1050 11.458,1051 14.188,1052 0.237,1053 22.651,1054 11.094,1055 3.139,1056 11.624,1057 20.337,1058 2.046,1059 12.655,1060 15.732,1061 3.482,1062 25.099,1063 12.25,1064 2.873,1065 10.856,1066 22.208,1067 4.474,1068 13.748,1069 17.134,1070 0.158,1071 27.478,1072 13.298,1073 2.645,1074 9.828,1075 24.087,1076 4.346,1077 14.917,1078 18.64,1079 3.906,1080 29.91,1081 14.425,1082 2.4,1083 8.003,1084 25.972,1085 3.854,1086 16.047,1087 20.083,1088 0.104,1089 32.315,1090 15.511,1091 2.278,1092 7.501,1093 27.862,1094 3.249,1095 17.209,1096 21.574,1097 4.344,1098 34.743,1099 16.629,1100 2.038,1101 6.859,1102 29.756,1103 2.954,1104 18.358,1105 23.037,1106 0.068,1107 37.162,1108 17.731,1109 19388,1110 29872,1111 27.452,1112 43.074,1113 61.412,1114 61.889,1115 62.827,1116 60.967,1117 60.988,1118 78.858,1119 8.057,1120 181.526,1121 58.556,1122 5.628,1123 5.638,1124 6.446,1125 5.341,1126 5.283,1127 7.474,1128 2.555,1129 19.235,1130 5.117,1131 14.561,1132 1.535,1133 1.547,1134 1.571,1135 1.524,1136 1.525,1137 1.971,1138 0.201,1139 4.538,1140 1.464,1141 4.117,1142 4.152,1143 4.079,1144 4.021,1145 7.428,1146 4.028,1147 4.065,1148 4.097,1149 4.032,1150 3.953,1151 5.005,1152 3.969,1153 3.825,1154 3.888,1155 3.746,1156 3.676,1157 4.969,1158 3.69,1159 3.737,1160 3.78,1161 3.654,1162 3.584,1163 4.647,1164 3.593,1165 3.518,1166 3.571,1167 3.414,1168 3.414,1169 4.441,1170 3.406,1171 3.401,1172 3.456,1173 3.282,1174 3.215,1175 4.303,1176 3.216,1177 3.308,1178 3.378,1179 3.159,1180 3.136,1181 4.277,1182 3.134,1183 3.114,1184 3.206,1185 2.996,1186 2.953,1187 3.972,1188 2.94,1189 0.116,1190 0.091,1191 0.173,1192 0.106,1193 0.082,1194 4.628,1195 0.112,1196 3.638,1197 0.032,1198 6.916,1199 0.291,1200 4.231,1201 0.078,1202 3.283,1203 4.474,1204 1.277,1205 11.624,1206 3.117,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.959,1214 1.935,1215 2.056,1216 2.079,1217 1.253,1218 2.071,1219 1.749,1220 1.681,1221 1.941,1222 1.96,1223 1.167,1224 1.959,1225 1.619,1226 1.59,1227 1.777,1228 1.787,1229 0.986,1230 1.781,1231 1.524,1232 1.475,1233 1.734,1234 1.683,1235 0.83,1236 1.698,1237 1.424,1238 1.362,1239 1.655,1240 1.628,1241 0.825,1242 1.641,1243 1.298,1244 1.234,1245 1.556,1246 1.497,1247 0.799,1248 1.522,1249 1.153,1250 1.064,1251 1.513,1252 1.4,1253 0.686,1254 1.429,1255 4.394,1257 5.746,1258 2.398,1259 7.303,1260 4.727,1261 8.956,1262 6.862,1263 10.659,1265 3.588,1271 6.338,1273 6.149,1276 5.013,1280 40.858,1281 94.903,1282 227.422,1283 299.271,1284 344.49,1285 348.49,1286 348.49,1287 48.681,1288 9.144,1289 63.49,1290 63.49,1291 35,1292 13.022,1293 4.585,1294 3.7,1295 47.468,1296 184,1297 164,1298 0.126,1299 244.758,1300 418.74,1301 588.97,1302 156041,1304 23.941,1305 0.684,1306 0.577,1307 23.941,1308 20.198,1309 17.081,1310 0.427,1311 0.306,1312 12.079,1313 16.458,1314 11.75,1315 9.663,1316 17.081,1317 12.242,1318 15.704,1319 0.271,1320 0.162,1321 15.704,1322 9.395,1323 13.849,1324 0.169,1325 0.087,1326 13.849,1327 7.147,1328 12.224,1329 0.108,1330 0.047,1331 12.224,1332 5.286,1333 10.271,1334 0.069,1335 0.026,1336 10.271,1337 3.794,1338 0.204,1339 106.556,1340 0.191,1341 32.591,1342 0.328,1343 196,1344 509.697,1345 212.72,1346 493.956,1347 697.47,1348 468,1349 238,1350 532.175,1351 257.385,1352 538.506,1353 798.84,1354 509,1355 10} {0 CHEMBL1241737,1 1.494,2 16.027,3 4.483,4 20.094,5 145.276,6 7.198,7 0.524,8 4.342,9 4.465,10 3.903,11 3.862,12 5.378,13 3.844,14 4.907,15 5.097,16 4.264,17 4.266,18 5.846,19 4.235,20 5.121,21 5.327,22 4.369,23 4.45,24 6.042,25 4.392,26 5.25,27 5.46,28 4.346,29 4.52,30 6.141,31 4.425,32 5.319,33 5.566,34 4.233,35 4.511,36 6.128,37 4.38,38 5.303,39 5.576,40 4.121,41 4.416,42 6.069,43 4.274,44 5.138,45 5.395,46 3.998,47 4.28,48 5.924,49 4.15,50 5.051,51 5.307,52 3.889,53 4.196,54 5.813,55 4.058,56 0.073,57 1.054,58 14.936,59 6.155,60 12.689,61 8.418,62 0.296,63 1.734,64 29.146,65 9.827,66 25.74,67 13.932,68 0.409,69 2.121,70 36.33,71 12.424,72 34.199,73 17.866,74 0.478,75 2.264,76 42.062,77 15.595,78 43.598,79 21.815,80 0.527,81 2.336,82 46.543,83 16.728,84 45.501,85 24.271,86 0.568,87 2.215,88 47.419,89 16.313,90 48.994,91 23.962,92 0.4,93 1.931,94 39.36,95 13.324,96 38.758,97 19.471,98 0.449,99 1.732,100 36.374,101 12.672,102 34.618,103 18.225,104 13,105 60,106 0.233,107 0.558,108 0.749,109 0.851,110 0.86,111 0.86,112 3.642,113 0.918,114 -4.28,115 -4.22,116 -3.98,119 42,120 2,121 1,124 1,125 6,140 8,141 2,142 3,144 3,150 1,155 1,158 1,164 1,169 8,171 1,172 10,178 8,181 3,182 12,189 6,192 4,193 9,199 6,202 3,203 7,211 2,214 2,215 8,222 2,225 1,226 6,233 4,236 2,237 5,244 6,248 1,249 5,256 6,259 2546,260 25.662,261 25.662,262 25.662,263 25.662,264 25.662,265 22.79,266 30.373,267 15.031,268 26.294,269 20.704,270 20.704,271 20.704,272 20.704,273 20.704,274 16.298,275 36.333,276 7.007,277 21.745,278 4.614,279 2.524,280 1.297,281 0.642,282 0.584,283 0.584,284 4.363,289 1,290 1328,291 3.606,294 76.757,295 469.155,298 129.395,299 310.209,302 2.408,303 21.809,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 79,315 593,316 4.633,317 3.981,318 6.922,319 4.232,320 3.286,321 4.474,322 2.442,323 11.649,324 3.107,325 4.551,326 3.493,327 6.695,328 4.108,329 3.139,330 4.351,331 1.151,332 10.856,333 3.046,334 4.256,335 3.28,336 6.442,337 3.859,338 2.889,339 3.87,340 0.8,341 9.918,342 2.8,343 3.856,344 3.038,345 5.809,346 3.582,347 2.646,348 3.249,349 0.8,350 8.004,351 2.472,352 3.733,353 2.871,354 5.78,355 3.364,356 2.416,357 3.06,358 0.532,359 7.685,360 2.292,361 3.528,362 2.652,363 5.328,364 3.258,365 2.314,366 2.735,368 6.872,369 2.182,370 3.342,371 2.512,372 5.064,373 3.002,374 2.04,375 2.522,377 5.739,378 1.955,379 3.224,380 2.256,381 4.96,382 2.827,383 1.861,384 2.414,386 5.526,387 1.794,388 3.028,389 2.229,390 4.562,391 2.581,392 1.631,393 2.243,395 4.503,396 1.562,397 2.942,398 1.994,399 4.462,400 2.532,401 1.587,402 2.105,404 4.227,405 1.479,406 2.781,407 1.649,408 4.036,409 2.401,410 1.421,411 1.85,413 3.465,414 1.389,415 2.691,416 1.477,417 4.027,418 2.276,419 1.314,420 1.752,422 3.15,423 1.256,424 2.589,425 1.423,426 3.862,427 2.179,428 1.249,429 1.593,431 3.104,432 1.155,433 2.26,434 1.247,435 3.414,436 1.967,437 1,438 1.175,440 2.275,441 0.965,442 2.07,443 1.146,444 3.392,445 1.867,446 0.916,447 1.012,449 2.083,450 0.867,451 17.567,452 0.475,453 0.811,454 0.022,455 48,456 1.297,457 22.5,458 0.608,459 25.5,460 0.689,461 34.995,462 0.946,463 39.433,464 0.571,465 36.945,466 0.999,467 9.559,468 0.258,469 8.56,470 0.231,471 0.085,473 0.353,479 0.789,480 1.46,481 0.785,482 1.173,483 0.722,484 1.01,485 1.301,486 1.095,487 0.879,488 0.844,489 0.941,490 0.807,491 1.052,492 0.996,493 1.003,494 0.947,495 0.927,496 0.948,497 1.046,498 1.117,499 1.085,500 1.148,501 0.999,502 1.134,503 0.837,504 1.042,505 1.06,506 1.096,507 0.897,508 1.106,509 0.88,510 0.953,511 0.965,512 0.966,513 0.95,514 0.976,515 1.071,516 1.025,517 1.105,518 1.065,519 1.054,520 1.081,521 1.097,522 0.962,523 1.089,524 1.017,525 1.019,526 1.055,527 6,528 0.201,529 4.889,530 2.535,531 2.237,532 1.202,533 0.816,534 0.525,535 0.323,536 0.244,537 24781,538 57688,539 2.18,540 46.4,542 23,544 1,546 6,547 2,550 1.775,551 2.075,552 3.905,553 -0.778,559 103.097,560 1.494,561 3.584,562 4.812,563 5.467,564 5.525,565 5.525,566 3.372,567 5.047,568 5.181,569 4.09,570 2724.05,571 9.082,572 45836.2,577 421.488,578 1.288,579 5.156,580 0.143,581 0.006,582 0.081,583 0.039,584 0.037,585 0.023,586 0.017,587 0.013,588 0.009,589 0.007,590 0.375,591 0.17,592 0.75,593 0.857,594 206.814,595 0.118,596 -0.269,597 0.1,598 -0.115,599 0.122,600 -0.029,601 -0.126,602 0.026,603 0.087,604 0.133,605 0.015,606 0.137,607 -0.053,608 0.124,609 -0.047,610 0.025,611 0.006,612 0.002,613 0.009,614 -0.094,615 -0.122,616 -0.137,617 0.006,618 -0.15,619 0.042,620 -0.066,621 -0.088,622 -0.099,623 -0.027,624 -0.109,625 0.049,626 -0.025,627 0.035,628 0.016,629 -0.011,630 0.023,631 -0.095,632 -0.048,633 -0.112,634 -0.094,635 -0.131,636 -0.101,637 -0.058,638 -0.016,639 -0.091,640 -0.031,641 -0.09,642 -0.064,643 1.034,644 2.783,645 0.784,646 46.434,647 0.996,648 1.128,649 3.048,650 9.292,651 0.664,652 3.761,653 4.111,654 4.454,655 4.771,656 5.037,657 5.165,658 5.352,659 5.513,660 5.606,661 5.677,662 8.97,663 0.629,664 496.67,665 3.761,666 5.323,667 6.205,668 7.104,669 8.001,670 8.907,671 9.811,672 10.72,673 11.626,674 12.537,675 8.7,678 1,681 1,683 1,684 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,699 1,709 1,712 1,714 69,716 23,717 2,718 42,720 74,721 29,722 18,723 6,724 6,725 1,730 6,731 10,736 2,743 1,745 19,746 10,750 1,758 1,759 1,764 32,765 7,767 8,770 1,773 6,777 0.5,778 2,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 3,827 37,833 7,835 2,838 2,847 2.9,852 2,854 17.833,855 13.533,856 8.083,857 4.239,858 4.773,859 1.513,860 1.014,861 6.681,862 14.067,863 4.007,864 4.637,865 5.279,866 5.898,867 6.437,868 6.78,869 7.187,870 7.572,871 7.877,872 7.99,873 0.909,874 65,875 13.663,877 5.788,878 7.477,879 26.869,881 22.511,883 1.977,884 73.167,888 376.675,889 160.304,890 61.119,892 22.219,895 160.304,896 398.894,897 61.119,898 28.533,899 17.655,900 75.81,901 56.718,902 73.939,903 2.757,904 364.904,906 376.675,907 221.423,908 22.219,911 353.133,912 45.761,915 76.005,916 111.846,917 33.571,919 376.675,920 83.337,921 160.304,924 376.675,925 47.342,926 121.11,928 75.19,929 376.675,930 83.337,931 160.304,933 0.582,934 0.354,935 0.202,936 0.111,937 31,938 13,939 0.081,940 6,941 3,942 1.207,943 4.815,944 371.416,945 0.207,946 29,947 186.75,951 24.111,952 10.253,953 4.635,954 2.309,955 81.438,956 18.994,957 9.285,961 7.381,962 2.117,964 620.317,965 54,973 4.046,974 0.744,975 68.752,976 77.806,977 0.245,978 0.587,979 0.788,980 0.895,981 0.904,982 0.904,983 5.265,984 1.861,985 6.192,986 5.739,987 4.796,988 5.325,989 2.894,990 7.047,991 4.702,992 6.474,993 1.631,994 7.774,995 5.526,996 4.369,997 5.156,998 0.57,999 8.032,1000 4.23,1001 7.794,1002 1.587,1003 9.458,1004 4.503,1005 6.425,1006 7.564,1007 4.339,1008 11.175,1009 6.242,1010 9.153,1011 1.421,1012 11.204,1013 4.227,1014 6.858,1015 8.274,1016 0.479,1017 13.015,1018 6.628,1019 10.547,1020 1.314,1021 12.991,1022 3.465,1023 8.356,1024 10.134,1025 6.064,1026 15.674,1027 8.086,1028 11.967,1029 1.249,1030 14.806,1031 3.15,1032 9.183,1033 11.252,1034 0.346,1035 17.853,1036 8.866,1037 13.406,1038 1,1039 16.641,1040 3.104,1041 10.464,1042 12.89,1043 7.837,1044 20.355,1045 10.107,1046 3.286,1047 0.916,1048 18.492,1049 2.275,1050 11.474,1051 14.2,1052 0.237,1053 22.674,1054 11.07,1055 3.139,1056 11.649,1057 20.354,1058 2.083,1059 12.672,1060 15.745,1061 9.62,1062 25.124,1063 12.226,1064 2.889,1065 10.856,1066 22.225,1067 4.474,1068 13.764,1069 17.145,1070 0.158,1071 27.503,1072 13.271,1073 2.646,1074 9.918,1075 24.105,1076 4.351,1077 14.934,1078 18.651,1079 11.405,1080 29.936,1081 14.397,1082 2.416,1083 8.004,1084 25.99,1085 3.87,1086 16.064,1087 20.094,1088 0.104,1089 32.342,1090 15.479,1091 2.314,1092 7.685,1093 27.88,1094 3.249,1095 17.227,1096 21.585,1097 13.19,1098 34.772,1099 16.596,1100 2.04,1101 6.872,1102 29.774,1103 3.06,1104 18.376,1105 23.048,1106 0.068,1107 37.192,1108 17.696,1109 22633,1110 34718,1111 28.838,1112 45.841,1113 63.778,1114 65.53,1115 65.483,1116 63.43,1117 63.427,1118 81.547,1119 11.448,1120 186.939,1121 60.395,1122 5.633,1123 5.981,1124 6.691,1125 5.342,1126 5.286,1127 7.474,1128 4.883,1129 19.279,1130 5.107,1131 15.186,1132 1.519,1133 1.56,1134 1.559,1135 1.51,1136 1.51,1137 1.942,1138 0.273,1139 4.451,1140 1.438,1141 4.117,1142 4.154,1143 4.079,1144 4.021,1145 5.065,1146 4.028,1147 4.065,1148 4.097,1149 4.032,1150 3.953,1151 4.978,1152 3.969,1153 3.825,1154 3.889,1155 3.747,1156 3.679,1157 4.876,1158 3.691,1159 3.74,1160 3.787,1161 3.657,1162 3.585,1163 4.634,1164 3.594,1165 3.52,1166 3.575,1167 3.417,1168 3.414,1169 4.44,1170 3.407,1171 3.458,1172 3.52,1173 3.356,1174 3.236,1175 4.303,1176 3.247,1177 3.319,1178 3.391,1179 3.169,1180 3.154,1181 4.277,1182 3.149,1183 3.175,1184 3.261,1185 3.003,1186 2.953,1187 4.017,1188 2.94,1189 0.11,1190 0.095,1191 0.165,1192 0.101,1193 0.078,1194 4.633,1195 0.107,1196 3.981,1197 0.058,1198 6.922,1199 0.277,1200 4.232,1201 0.074,1202 3.286,1203 4.474,1204 2.442,1205 11.649,1206 3.107,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.959,1214 1.935,1215 2.056,1216 2.079,1217 1.254,1218 2.071,1219 1.749,1220 1.681,1221 1.941,1222 1.96,1223 1.167,1224 1.959,1225 1.634,1226 1.593,1227 1.789,1228 1.815,1229 0.995,1230 1.804,1231 1.524,1232 1.475,1233 1.734,1234 1.687,1235 0.846,1236 1.7,1237 1.431,1238 1.367,1239 1.658,1240 1.633,1241 0.825,1242 1.647,1243 1.304,1244 1.239,1245 1.574,1246 1.524,1247 0.802,1248 1.54,1249 1.183,1250 1.103,1251 1.551,1252 1.485,1253 0.706,1254 1.508,1255 4.443,1257 5.784,1258 2.398,1259 7.334,1260 4.727,1261 8.982,1262 6.862,1263 10.682,1265 5.493,1271 6.526,1273 11.222,1276 5.05,1280 43.406,1281 103.097,1282 247.307,1283 332.004,1284 377.224,1285 381.224,1286 381.224,1287 47.637,1288 9.294,1289 68.01,1290 68.01,1291 35,1292 13.052,1293 4.585,1294 3.7,1295 51.463,1296 204,1297 200,1298 0.123,1299 261.145,1300 447.04,1301 628.953,1302 187488,1304 25.355,1305 0.685,1306 0.585,1307 25.355,1308 21.646,1309 18.119,1310 0.431,1311 0.306,1312 12.65,1313 17.334,1314 12.271,1315 10.143,1316 18.119,1317 12.852,1318 16.226,1319 0.27,1320 0.162,1321 16.226,1322 9.698,1323 14.468,1324 0.17,1325 0.087,1326 14.468,1327 7.384,1328 12.772,1329 0.109,1330 0.047,1331 12.772,1332 5.474,1333 10.593,1334 0.069,1335 0.025,1336 10.593,1337 3.88,1338 0.199,1339 113.868,1340 0.186,1341 34.185,1342 0.319,1343 204,1344 539.342,1345 222.552,1346 519.584,1347 737.62,1348 494,1349 247,1350 569.835,1351 268.686,1352 575.177,1353 845.69,1354 541,1355 9.5} {0 CHEMBL1241738,1 1.466,2 13.485,3 3.874,4 15.009,5 131.198,6 7.223,7 0.579,8 4.226,9 4.353,10 3.796,11 3.763,12 5.236,13 3.743,14 4.8,15 4.989,16 4.18,17 4.176,18 5.732,19 4.143,20 5.038,21 5.254,22 4.256,23 4.357,24 5.939,25 4.292,26 5.139,27 5.36,28 4.183,29 4.416,30 5.981,31 4.305,32 5.174,33 5.427,34 4.057,35 4.386,36 5.94,37 4.242,38 5.154,39 5.431,40 3.922,41 4.276,42 5.882,43 4.117,44 4.996,45 5.27,46 3.766,47 4.102,48 5.734,49 3.954,50 4.858,51 5.126,52 3.661,53 3.997,54 5.577,55 3.845,56 0.052,57 0.961,58 13.099,59 5.407,60 9.329,61 7.423,62 0.248,63 1.599,64 25.711,65 8.846,66 20.518,67 12.61,68 0.453,69 1.952,70 33.689,71 11.127,72 32.534,73 16.179,74 0.346,75 2.037,76 37.434,77 14.253,78 33.772,79 20.131,80 0.345,81 2.042,82 39.97,83 14.986,84 33.646,85 21.722,86 0.354,87 1.942,88 40.422,89 14.359,90 35.418,91 21.148,92 0.382,93 1.665,94 34.685,95 11.501,96 33.16,97 16.966,98 0.382,99 1.457,100 29.95,101 10.435,102 25.996,103 15.245,104 5,105 55,106 0.234,107 0.543,108 0.719,109 0.843,110 0.853,111 0.853,112 3.532,113 0.921,114 -5.05,115 -4.95,116 -4.64,119 42.6,120 2,121 1,125 6,140 8,141 2,142 3,144 2,159 2,164 1,169 8,171 2,172 11,178 8,181 3,182 11,189 6,192 2,193 9,199 7,202 1,203 9,211 4,214 1,215 9,222 3,225 1,226 3,233 2,236 3,237 2,244 4,248 1,249 3,256 6,259 1764,260 22.878,261 22.878,262 22.878,263 22.878,264 22.878,265 20.227,266 27.297,267 13.254,268 23.46,269 18.768,270 18.768,271 18.768,272 18.768,273 18.768,274 14.747,275 33.358,276 6.263,277 19.726,278 4.464,279 2.525,280 1.422,281 0.648,282 0.582,283 0.582,284 4.257,289 1,290 1017,291 2.828,294 67.889,295 404.164,298 113.435,299 267.778,302 2.048,303 18.263,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70,315 445,316 4.62,317 3.508,318 6.944,319 4.213,320 3.275,321 4.474,322 1.151,323 11.717,324 3.073,325 4.551,326 3.28,327 6.695,328 4.108,329 3.139,330 4.34,331 0.8,332 10.856,333 3.046,334 4.125,335 2.984,336 6.227,337 3.713,338 2.757,339 3.74,340 0.8,341 9.184,342 2.628,343 3.855,344 2.857,345 5.807,346 3.573,347 2.636,348 3.249,350 8.001,351 2.465,352 3.536,353 2.637,354 5.341,355 3.306,356 2.37,357 2.736,359 6.906,360 2.219,361 3.354,362 2.376,363 5.16,364 3.014,365 2.049,366 2.58,368 5.975,369 1.973,370 3.251,371 2.261,372 4.963,373 2.899,374 1.943,375 2.446,377 5.727,378 1.862,379 3.166,380 2.126,381 4.929,382 2.825,383 1.881,384 2.343,386 5.344,387 1.76,388 3.027,389 1.813,390 4.56,391 2.574,392 1.598,393 2.242,395 4.493,396 1.559,397 2.9,398 1.649,399 4.274,400 2.446,401 1.491,402 2.066,404 3.788,405 1.42,406 2.776,407 1.476,408 4.035,409 2.399,410 1.419,411 1.844,413 3.463,414 1.387,415 2.426,416 1.296,417 3.764,418 2.047,419 1.109,420 1.401,422 2.722,423 1.034,424 2.258,425 1.146,426 3.414,427 1.967,428 1,429 1.169,431 2.275,432 0.965,433 2.075,434 0.968,435 3.388,436 1.824,437 0.849,438 1,440 2.039,441 0.826,442 2,443 0.897,444 3.341,445 1.734,446 0.786,447 0.999,449 1.873,450 0.74,451 15.733,452 0.477,453 0.76,454 0.023,455 43.75,456 1.326,457 21,458 0.636,459 22.75,460 0.689,461 29.896,462 0.906,463 34.667,464 0.568,465 31.16,466 0.944,467 8.528,468 0.258,469 7.641,470 0.232,471 0.064,473 0.362,479 0.825,480 1.415,481 0.777,482 1.143,483 0.74,484 0.986,485 1.229,486 1.139,487 0.859,488 0.911,489 0.834,490 0.85,491 1.214,492 0.915,493 1.037,494 0.88,495 0.989,496 0.915,497 1.007,498 1.104,499 1.09,500 1.167,501 0.97,502 1.152,503 0.812,504 1.05,505 1.048,506 1.116,507 0.866,508 1.116,509 0.875,510 1.011,511 1.01,512 1.059,513 0.965,514 1.055,515 1.21,516 0.954,517 1.118,518 1.004,519 1.231,520 1.044,521 0.989,522 0.927,523 1.087,524 1.022,525 0.966,526 1.066,527 5.5,528 0.131,529 4.222,530 2.285,531 1.907,532 1.014,533 0.623,534 0.353,535 0.268,536 0.219,537 18437,538 41289,539 2.222,540 45.9,542 20,546 6,547 2,550 1.746,551 2.129,552 3.672,553 -0.781,559 89.448,560 1.466,561 3.405,562 4.509,563 5.283,564 5.349,565 5.349,566 3.066,567 4.923,568 5.022,569 3.886,570 2051.88,571 8.755,572 31414.1,574 1,577 361.775,578 1.234,579 4.997,580 0.145,581 0.005,582 0.077,583 0.039,584 0.037,585 0.023,586 0.016,587 0.011,588 0.009,589 0.008,590 0.369,591 0.33,592 0.88,593 0.398,594 177.082,595 0.093,596 -0.233,597 0.102,598 -0.107,599 0.098,600 -0.021,601 -0.027,602 -0.021,603 0.098,604 0.059,605 0.092,606 0.088,607 -0.053,608 0.182,609 -0.066,610 0.074,611 0.004,612 0.022,613 -0.017,614 -0.113,615 -0.133,616 -0.151,617 -0.012,618 -0.157,619 -0.001,620 -0.105,621 -0.081,622 -0.102,623 -0.046,624 -0.103,625 -0.006,626 -0.096,627 -0.015,628 -0.067,629 -0.071,630 -0.048,631 -0.123,632 -0.01,633 -0.105,634 -0.042,635 -0.222,636 -0.067,637 0.023,638 0.013,639 -0.087,640 -0.042,641 -0.082,642 -0.076,643 1.025,644 2.602,645 0.879,646 32.832,647 0.994,648 1.127,649 3.818,650 14.579,651 0.67,652 3.664,653 4.025,654 4.369,655 4.691,656 4.956,657 5.043,658 5.204,659 5.352,660 5.438,661 5.472,662 8.004,663 0.633,664 440.6,665 3.664,666 5.231,667 6.116,668 7.018,669 7.916,670 8.822,671 9.724,672 10.631,673 11.535,674 12.443,675 9.8,678 1,681 1,683 1,685 3,687 2,688 8,689 3,693 7,694 1,695 22,709 1,712 1,714 61,716 22,717 2,718 38,720 66,721 26,722 17,723 6,724 6,730 6,731 10,736 2,743 1,745 17,746 9,764 28,765 6,767 7,773 6,777 0.5,778 1,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 2,827 33,833 7,835 1,838 2,844 1,847 1.6,852 1,854 15.5,855 11.783,856 7.056,857 3.871,858 4.46,859 1.497,860 1.037,861 5.279,862 13.429,863 3.912,864 4.557,865 5.199,866 5.827,867 6.36,868 6.652,869 7.042,870 7.414,871 7.691,872 7.708,873 0.889,874 58,875 12.205,877 5.247,878 7.439,879 24.146,881 20.597,883 1.939,884 64,888 329.591,889 137.188,890 58.259,892 11,895 137.188,896 340.591,897 58.259,898 17.65,899 17.655,900 75.81,901 54.767,902 40.564,904 329.591,906 329.591,907 195.447,908 11,911 306.049,912 34.542,915 49.886,916 95.45,917 50.112,919 329.591,920 69.259,921 137.188,924 329.591,925 43.728,926 101.608,928 61.111,929 329.591,930 69.259,931 137.188,933 0.589,934 0.358,935 0.205,936 0.113,937 30,938 12,939 0.061,940 4,941 3,942 1.207,943 4.516,944 322.585,945 0.207,946 29,947 157.71,951 20.644,952 8.438,953 3.774,954 2.323,955 67.36,956 17.162,957 13.15,961 7.418,962 2.113,964 536.038,965 49,975 60.658,976 68.766,977 0.247,978 0.574,979 0.76,980 0.891,981 0.902,982 0.902,983 5.173,984 1.881,985 6.107,986 5.727,987 4.71,988 5.244,989 1.717,990 6.961,991 4.612,992 6.384,993 1.598,994 7.688,995 5.344,996 4.29,997 5.085,998 0.57,999 7.943,1000 4.131,1001 7.704,1002 1.491,1003 9.369,1004 4.493,1005 6.34,1006 7.491,1007 1.692,1008 11.085,1009 6.143,1010 9.062,1011 1.419,1012 11.113,1013 3.788,1014 6.77,1015 8.204,1016 0.479,1017 12.932,1018 6.507,1019 10.455,1020 1.109,1021 12.898,1022 3.463,1023 8.27,1024 10.068,1025 1.822,1026 15.593,1027 7.972,1028 11.874,1029 1,1030 14.712,1031 2.722,1032 9.094,1033 11.189,1034 0.346,1035 17.788,1036 8.735,1037 13.314,1038 0.849,1039 16.547,1040 2.275,1041 10.378,1042 12.831,1043 2.014,1044 20.294,1045 9.979,1046 3.275,1047 0.786,1048 18.399,1049 2.039,1050 11.387,1051 14.144,1052 0.237,1053 22.63,1054 10.931,1055 3.139,1056 11.717,1057 20.263,1058 1.873,1059 12.587,1060 15.692,1061 2.237,1062 25.086,1063 12.088,1064 2.757,1065 10.856,1066 22.137,1067 4.474,1068 13.68,1069 17.095,1070 0.158,1071 27.48,1072 13.125,1073 2.636,1074 9.184,1075 24.02,1076 4.34,1077 14.851,1078 18.604,1079 2.479,1080 29.922,1081 14.25,1082 2.37,1083 8.001,1084 25.91,1085 3.74,1086 15.982,1087 20.048,1088 0.104,1089 32.341,1090 15.328,1091 2.049,1092 6.906,1093 27.804,1094 3.249,1095 17.146,1096 21.541,1097 2.733,1098 34.781,1099 16.442,1100 1.943,1101 5.975,1102 29.704,1103 2.736,1104 18.295,1105 23.006,1106 0.068,1107 37.213,1108 17.538,1109 16500,1110 24877,1111 26.353,1112 40.864,1113 58.042,1114 57.903,1115 59.412,1116 57.792,1117 57.768,1118 74.567,1119 5.502,1120 171.542,1121 55.023,1122 5.62,1123 5.508,1124 6.473,1125 5.322,1126 5.275,1127 7.474,1128 2.302,1129 19.191,1130 5.073,1131 11.302,1132 1.527,1133 1.524,1134 1.563,1135 1.521,1136 1.52,1137 1.962,1138 0.145,1139 4.514,1140 1.448,1141 4.109,1142 4.147,1143 4.07,1144 4.018,1145 5.113,1146 4.025,1147 4.056,1148 4.093,1149 4.025,1150 3.934,1151 4.981,1152 3.95,1153 3.813,1154 3.884,1155 3.721,1156 3.62,1157 4.728,1158 3.637,1159 3.704,1160 3.758,1161 3.631,1162 3.541,1163 4.441,1164 3.558,1165 3.515,1166 3.568,1167 3.411,1168 3.412,1169 4.306,1170 3.404,1171 3.325,1172 3.4,1173 3.174,1174 3.176,1175 4.277,1176 3.165,1177 3.231,1178 3.295,1179 3.075,1180 3.02,1181 3.973,1182 3.018,1183 3.111,1184 3.206,1185 2.937,1186 2.951,1187 3.841,1188 2.937,1189 0.122,1190 0.092,1191 0.183,1192 0.111,1193 0.086,1194 4.62,1195 0.118,1196 3.508,1197 0.03,1198 6.944,1199 0.308,1200 4.213,1201 0.081,1202 3.275,1203 4.474,1204 1.151,1205 11.717,1206 3.073,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.957,1214 1.933,1215 2.055,1216 2.08,1217 1.252,1218 2.071,1219 1.748,1220 1.678,1221 1.941,1222 1.96,1223 1.166,1224 1.959,1225 1.542,1226 1.488,1227 1.746,1228 1.723,1229 0.965,1230 1.733,1231 1.504,1232 1.45,1233 1.72,1234 1.657,1235 0.825,1236 1.681,1237 1.361,1238 1.29,1239 1.623,1240 1.623,1241 0.81,1242 1.615,1243 1.321,1244 1.254,1245 1.559,1246 1.512,1247 0.762,1248 1.54,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.707,1254 1.429,1255 4.344,1257 5.694,1258 2.398,1259 7.251,1260 4.727,1261 8.904,1262 6.823,1263 10.608,1265 4.039,1271 6.637,1273 6.102,1276 5.057,1280 38.638,1281 89.448,1282 207.727,1283 275.046,1284 322.265,1285 326.265,1286 326.265,1287 38.557,1288 8.968,1289 59.31,1290 59.31,1291 35,1292 12.961,1293 4.524,1294 3.585,1295 43.596,1296 164,1297 145,1298 0.129,1299 231.299,1300 388.99,1301 556.13,1302 126865,1304 22.363,1305 0.678,1306 0.581,1307 22.363,1308 19.16,1309 16.17,1310 0.426,1311 0.307,1312 11.509,1313 15.553,1314 11.198,1315 9.212,1316 16.17,1317 11.669,1318 14.783,1319 0.269,1320 0.162,1321 14.783,1322 8.928,1323 13.236,1324 0.17,1325 0.087,1326 13.236,1327 6.813,1328 11.709,1329 0.108,1330 0.047,1331 11.709,1332 5.068,1333 9.921,1334 0.07,1335 0.026,1336 9.921,1337 3.664,1338 0.209,1339 100.931,1340 0.195,1341 30.993,1342 0.339,1343 186,1344 465.606,1345 202.726,1346 453.903,1347 651.81,1348 432,1349 226,1350 511.888,1351 245.5,1352 515.532,1353 763.88,1354 488,1355 9.801} {0 CHEMBL1241824,1 1.494,2 15.514,3 3.864,4 14.929,5 144.943,6 7.198,7 0.524,8 4.34,9 4.465,10 3.899,11 3.862,12 5.365,13 3.844,14 4.916,15 5.111,16 4.281,17 4.277,18 5.874,19 4.247,20 5.142,21 5.341,22 4.393,23 4.475,24 6.124,25 4.412,26 5.296,27 5.516,28 4.354,29 4.522,30 6.24,31 4.426,32 5.302,33 5.548,34 4.238,35 4.493,36 6.172,37 4.371,38 5.253,39 5.51,40 4.114,41 4.418,42 6.054,43 4.277,44 5.204,45 5.48,46 3.987,47 4.278,48 5.99,49 4.144,50 4.981,51 5.219,52 3.887,53 4.185,54 5.803,55 4.052,56 0.02,57 1.066,58 14.815,59 6.06,60 9.186,61 8.365,62 0.348,63 1.766,64 29.43,65 9.637,66 24.853,67 13.904,68 0.412,69 2.138,70 36.916,71 13.28,72 40.396,73 18.799,74 0.534,75 2.301,76 44.907,77 16.323,78 61.127,79 22.775,80 0.659,81 2.298,82 46.158,83 15.931,84 61.937,85 23.134,86 0.328,87 2.193,88 43.525,89 15.612,90 40.569,91 22.901,92 0.55,93 1.957,94 43.707,95 14.246,96 52.264,97 20.705,98 0.36,99 1.677,100 32.881,101 11.909,102 32.729,103 17.069,104 19,105 61,106 0.233,107 0.553,108 0.744,109 0.833,110 0.842,111 0.842,112 3.642,113 0.919,114 -3.87,115 -3.83,116 -3.64,119 42,120 1,121 1,124 2,125 6,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 8,171 2,172 9,178 8,181 4,182 10,189 6,192 4,193 8,199 6,202 3,203 6,211 2,214 1,215 9,222 1,225 1,226 7,233 2,236 2,237 5,244 4,248 1,249 3,256 6,259 2515,260 25.292,261 25.292,262 25.292,263 25.292,264 25.292,265 22.627,266 31.677,267 14.567,268 25.927,269 20.703,270 20.703,271 20.703,272 20.703,273 20.703,274 16.502,275 38.174,276 6.848,277 21.71,278 4.614,279 2.553,280 1.326,281 0.757,282 0.699,283 0.699,284 4.36,289 1,290 1285,291 3.742,294 76.579,295 468.456,298 129.065,299 309.719,302 2.337,303 26.654,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 79,315 574,316 4.637,317 3.72,318 6.936,319 4.245,320 3.296,321 4.474,322 1.2,323 11.69,324 3.129,325 4.551,326 3.427,327 6.695,328 4.108,329 3.139,330 4.35,331 1.151,332 10.856,333 3.046,334 4.272,335 3.28,336 6.505,337 3.91,338 2.935,339 3.869,340 0.8,341 10.083,342 2.857,343 3.857,344 2.928,345 5.934,346 3.586,347 2.65,348 3.249,349 0.8,350 8.071,351 2.478,352 3.788,353 2.835,354 5.807,355 3.461,356 2.506,357 3.077,358 0.293,359 7.992,360 2.387,361 3.531,362 2.634,363 5.361,364 3.295,365 2.358,366 2.735,368 6.894,369 2.209,370 3.35,371 2.304,372 5.279,373 3.017,374 2.053,375 2.538,377 6.12,378 1.975,379 3.259,380 2.255,381 4.961,382 2.939,383 1.982,384 2.436,386 5.73,387 1.893,388 3.029,389 2.095,390 4.612,391 2.581,392 1.636,393 2.243,395 4.509,396 1.562,397 2.944,398 1.963,399 4.555,400 2.542,401 1.593,402 2.108,404 4.263,405 1.488,406 2.784,407 1.651,408 4.336,409 2.409,410 1.431,411 1.854,413 3.891,414 1.396,415 2.695,416 1.479,417 4.036,418 2.315,419 1.366,420 1.757,422 3.463,423 1.288,424 2.648,425 1.448,426 3.87,427 2.269,428 1.311,429 1.688,431 3.107,432 1.249,433 2.264,434 1.375,435 3.414,436 1.967,437 1,438 1.179,440 2.275,441 0.965,442 2.18,443 1.146,444 3.401,445 1.868,446 0.904,447 1.05,449 2.122,450 0.867,451 17.567,452 0.475,453 0.939,454 0.025,455 48.25,456 1.304,457 22.5,458 0.608,459 25.75,460 0.696,461 34.544,462 0.934,463 39.433,464 0.571,465 38.37,466 1.037,467 9.536,468 0.258,469 8.455,470 0.229,471 0.104,473 0.376,479 0.811,480 1.548,481 0.786,482 1.193,483 0.599,484 1.016,485 1.187,486 1.011,487 0.869,488 0.792,489 0.656,490 0.774,491 0.965,492 1.046,493 0.987,494 1.036,495 0.757,496 1.009,497 1.156,498 1.088,499 1.049,500 1.104,501 1.38,502 1.083,503 0.975,504 0.968,505 1.065,506 0.984,507 0.944,508 1.028,509 0.773,510 1.123,511 1.064,512 1.178,513 0.592,514 1.157,515 1.296,516 0.85,517 1.019,518 0.861,519 0.888,520 0.903,521 0.968,522 1.082,523 1.152,524 1.154,525 0.846,526 1.177,527 6.5,528 0.189,529 5.111,530 2.535,531 2.352,532 1.337,533 0.822,534 0.569,535 0.348,536 0.27,537 24621,538 57040,539 2.163,540 46.4,542 26,544 1,546 3,547 2,550 1.775,551 2.037,552 3.869,553 -0.778,559 103.097,560 1.494,561 3.555,562 4.783,563 5.351,564 5.409,565 5.409,566 3.375,567 4.993,568 5.183,569 4.072,570 2711.67,571 9.082,572 45529.9,577 421.488,578 1.371,579 5.147,580 0.155,581 0.006,582 0.084,583 0.038,584 0.039,585 0.025,586 0.018,587 0.014,588 0.009,589 0.008,590 0.396,591 0.33,592 0.75,593 0.769,594 206.593,595 0.014,596 -0.347,597 0.093,598 -0.138,599 -0.004,600 -0.035,601 -0.065,602 0.135,603 0.095,604 0.17,605 0.037,606 0.161,607 0.04,608 0.05,609 -0.037,610 -0.043,611 0.104,612 -0.044,613 0.01,614 -0.101,615 -0.066,616 -0.098,617 -0.057,618 -0.099,619 0.025,620 0.016,621 -0.078,623 -0.025,624 -0.044,625 -0.009,626 -0.147,627 -0.097,628 -0.185,629 -0.004,630 -0.155,631 -0.125,632 0.066,633 0.011,634 0.101,635 -0.058,636 0.076,637 -0.045,638 -0.094,639 -0.182,640 -0.154,641 -0.064,642 -0.184,643 1.772,644 5.508,645 0.784,646 45.483,647 0.996,648 1.128,649 2.642,650 6.982,651 0.664,652 3.761,653 4.127,654 4.466,655 4.771,656 5.043,657 5.17,658 5.361,659 5.521,660 5.62,661 5.677,662 8.906,663 0.629,664 496.67,665 3.761,666 5.333,667 6.217,668 7.119,669 8.018,670 8.925,671 9.83,672 10.739,673 11.647,674 12.559,675 8.7,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,703 1,709 1,712 1,714 69,716 23,717 2,718 42,720 74,721 29,722 18,723 6,724 6,725 1,730 6,731 10,736 1,743 1,745 19,746 10,750 1,755 1,759 1,764 32,765 7,767 8,770 1,773 6,777 0.5,778 2,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 3,827 37,833 7,835 1,838 3,847 2.9,850 1,852 1,854 18.167,855 13.533,856 7.944,857 4.231,858 4.628,859 1.498,860 1.019,861 6.452,862 13.923,863 4.007,864 4.637,865 5.279,866 5.887,867 6.428,868 6.766,869 7.171,870 7.549,871 7.851,872 7.948,873 1,874 66,875 13.719,877 5.896,878 7.545,879 26.842,881 22.67,883 2.045,884 75.667,888 376.675,889 159.336,890 44.843,892 36.145,895 159.336,896 412.82,897 44.843,898 25.618,899 20.78,900 75.81,901 83.81,902 43.321,903 2.757,904 364.904,906 376.675,907 204.18,908 36.145,911 353.133,912 59.687,915 50.905,916 119.704,917 33.571,919 376.675,920 80.988,921 159.336,924 376.675,925 49.29,926 121.319,928 69.716,929 376.675,930 80.988,931 159.336,933 0.592,934 0.358,935 0.196,936 0.109,937 32,938 14,939 0.068,940 5,941 3,942 1.207,943 4.775,944 373.586,945 0.207,946 29,947 184.75,951 24.111,952 9.901,953 4.523,954 2.289,955 79.089,956 18.694,957 9.1,961 6.624,962 1.998,964 617,965 54,970 12.508,974 -0.106,975 68.752,976 77.806,977 0.245,978 0.582,979 0.783,980 0.876,981 0.885,982 0.885,983 5.276,984 1.982,985 6.217,986 6.12,987 4.812,988 5.325,989 2.134,990 7.077,991 4.722,992 6.488,993 1.636,994 7.807,995 5.73,996 4.443,997 5.19,998 0.766,999 8.078,1000 4.306,1001 7.81,1002 1.593,1003 9.498,1004 4.509,1005 6.454,1006 7.56,1007 2.193,1008 11.215,1009 6.277,1010 9.169,1011 1.431,1012 11.25,1013 4.263,1014 6.919,1015 8.289,1016 0.931,1017 13.056,1018 6.699,1019 10.564,1020 1.366,1021 13.04,1022 3.891,1023 8.395,1024 10.131,1025 2.387,1026 15.717,1027 8.137,1028 11.984,1029 1.311,1030 14.858,1031 3.463,1032 9.238,1033 11.258,1034 1.142,1035 17.895,1036 8.938,1037 13.424,1038 1,1039 16.695,1040 3.107,1041 10.51,1042 12.888,1043 2.627,1044 20.4,1045 10.171,1046 3.296,1047 0.904,1048 18.547,1049 2.275,1050 11.526,1051 14.203,1052 1.436,1053 22.719,1054 11.144,1055 3.139,1056 11.69,1057 20.41,1058 2.122,1059 12.721,1060 15.744,1061 2.89,1062 25.171,1063 12.299,1064 2.935,1065 10.856,1066 22.282,1067 4.474,1068 13.816,1069 17.146,1070 1.783,1071 27.55,1072 13.351,1073 2.65,1074 10.083,1075 24.162,1076 4.35,1077 14.985,1078 18.651,1079 3.167,1080 29.986,1081 14.478,1082 2.506,1083 8.071,1084 26.048,1085 3.869,1086 16.116,1087 20.094,1088 2.156,1089 32.393,1090 15.565,1091 2.358,1092 7.992,1093 27.938,1094 3.249,1095 17.279,1096 21.584,1097 3.456,1098 34.825,1099 16.684,1100 2.053,1101 6.894,1102 29.833,1103 3.077,1104 18.429,1105 23.047,1106 2.541,1107 37.247,1108 17.789,1109 22488,1110 34410,1111 28.55,1112 45.841,1113 64.648,1114 65.482,1115 66.184,1116 64.104,1117 64.046,1118 81.847,1119 8.487,1120 191.054,1121 61.146,1122 5.637,1123 5.72,1124 6.466,1125 5.355,1126 5.296,1127 7.474,1128 2.351,1129 19.366,1130 5.129,1131 17.381,1132 1.539,1133 1.559,1134 1.576,1135 1.526,1136 1.525,1137 1.949,1138 0.202,1139 4.549,1140 1.456,1141 4.118,1142 4.154,1143 4.08,1144 4.021,1145 7.428,1146 4.028,1147 4.065,1148 4.097,1149 4.033,1150 3.952,1151 5.005,1152 3.968,1153 3.827,1154 3.889,1155 3.752,1156 3.671,1157 4.969,1158 3.688,1159 3.745,1160 3.792,1161 3.66,1162 3.583,1163 4.647,1164 3.593,1165 3.545,1166 3.624,1167 3.434,1168 3.414,1169 4.441,1170 3.407,1171 3.507,1172 3.564,1173 3.397,1174 3.283,1175 4.304,1176 3.303,1177 3.324,1178 3.398,1179 3.172,1180 3.174,1181 4.277,1182 3.163,1183 3.126,1184 3.206,1185 3.005,1186 2.953,1187 4.199,1188 2.94,1189 0.11,1190 0.089,1191 0.165,1192 0.101,1193 0.078,1194 4.637,1195 0.107,1196 3.72,1197 0.029,1198 6.936,1199 0.278,1200 4.245,1201 0.074,1202 3.296,1203 4.474,1204 1.2,1205 11.69,1206 3.129,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.079,1217 1.253,1218 2.071,1219 1.749,1220 1.68,1221 1.941,1222 1.96,1223 1.167,1224 1.959,1225 1.628,1226 1.586,1227 1.811,1228 1.859,1229 0.984,1230 1.844,1231 1.525,1232 1.475,1233 1.736,1234 1.693,1235 0.857,1236 1.706,1237 1.452,1238 1.384,1239 1.676,1240 1.64,1241 0.825,1242 1.659,1243 1.332,1244 1.263,1245 1.584,1246 1.539,1247 0.808,1248 1.552,1249 1.229,1250 1.153,1251 1.513,1252 1.473,1253 0.767,1254 1.466,1255 4.443,1257 5.796,1258 2.398,1259 7.353,1260 4.727,1261 9.004,1262 6.862,1263 10.705,1265 5.519,1271 6.27,1273 6.21,1276 6.562,1280 43.406,1281 103.097,1282 245.307,1283 330.004,1284 369.224,1285 373.224,1286 373.224,1287 53.864,1288 9.294,1289 66.73,1290 66.73,1291 35,1292 13.074,1293 4.585,1294 3.7,1295 51.467,1296 203,1297 185,1298 0.123,1299 261.145,1300 447.04,1301 628.953,1302 186733,1304 25.518,1305 0.69,1306 0.585,1307 25.518,1308 21.646,1309 17.991,1310 0.428,1311 0.306,1312 12.66,1313 17.267,1314 12.274,1315 10.145,1316 17.991,1317 12.86,1318 16.563,1319 0.272,1320 0.165,1321 16.563,1322 10.039,1323 14.72,1324 0.171,1325 0.086,1326 14.72,1327 7.422,1328 12.543,1329 0.107,1330 0.046,1331 12.543,1332 5.382,1333 10.607,1334 0.069,1335 0.025,1336 10.607,1337 3.912,1338 0.2,1339 112.764,1340 0.187,1341 34.134,1342 0.321,1343 206,1344 539.342,1345 224.58,1346 522.318,1347 735.61,1348 494,1349 250,1350 560.288,1351 272.242,1352 569.507,1353 843.98,1354 535,1355 9.801} {0 CHEMBL1241825,1 1.472,2 14.647,3 4.329,4 18.738,5 132.307,6 7.51,7 0.564,8 4.21,9 4.329,10 3.811,11 3.774,12 5.274,13 3.759,14 4.776,15 4.956,16 4.186,17 4.189,18 5.743,19 4.16,20 5.026,21 5.232,22 4.281,23 4.376,24 5.968,25 4.312,26 5.135,27 5.351,28 4.219,29 4.418,30 6.049,31 4.314,32 5.167,33 5.423,34 4.068,35 4.372,36 6.01,37 4.235,38 5.078,39 5.344,40 3.947,41 4.261,42 5.866,43 4.115,44 4.977,45 5.246,46 3.825,47 4.112,48 5.786,49 3.979,50 4.824,51 5.075,52 3.709,53 4.012,54 5.638,55 3.876,56 0.017,57 0.926,58 11.871,59 5.184,60 10.502,61 6.865,62 0.222,63 1.565,64 23.818,65 8.575,66 19.257,67 11.649,68 0.352,69 1.94,70 31.775,71 11.623,72 31.65,73 16.097,74 0.341,75 2.043,76 36.384,77 14.329,78 40.287,79 19.665,80 0.438,81 2.044,82 39.954,83 14.841,84 52.379,85 21.148,86 0.266,87 1.889,88 36.48,89 13.682,90 35.374,91 19.791,92 0.366,93 1.687,94 33.826,95 11.623,96 39.803,97 16.619,98 0.337,99 1.466,100 28.154,101 10.152,102 31.086,103 14.37,104 6,105 56,106 0.234,107 0.575,108 0.744,109 0.848,110 0.858,111 0.858,112 3.56,113 0.905,114 -3.82,115 -3.78,116 -3.59,119 45,120 1,121 1,125 6,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 8,171 1,172 9,178 8,181 3,182 10,189 6,192 3,193 8,199 6,202 2,203 6,211 2,214 1,215 8,222 1,225 1,226 5,233 2,236 2,237 3,244 4,248 1,249 3,256 6,259 1934,260 23.748,261 23.748,262 23.748,263 23.748,264 23.748,265 21.058,266 28.622,267 13.762,268 24.309,269 19.199,270 19.199,271 19.199,272 19.199,273 19.199,274 14.991,275 33.882,276 6.404,277 20.139,278 4.435,279 2.294,280 1.233,281 0.579,282 0.513,283 0.513,284 4.285,289 1,290 1131,291 3,294 69.959,295 420.452,298 117.214,299 278.31,302 2.1,303 21.601,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 498,316 4.615,317 4.078,318 6.882,319 4.206,320 3.262,321 4.474,322 2.035,323 11.514,324 3.08,325 4.551,326 3.466,327 6.695,328 4.108,329 3.139,330 4.333,331 1.151,332 10.856,333 3.046,334 4.205,335 3.28,336 6.31,337 3.774,338 2.806,339 3.822,340 0.8,341 9.496,342 2.712,343 3.856,344 2.968,345 5.807,346 3.578,347 2.641,348 3.249,349 0.8,350 8.002,351 2.469,352 3.625,353 2.857,354 5.547,355 3.318,356 2.38,357 2.821,359 7.082,360 2.235,361 3.518,362 2.639,363 5.317,364 3.117,365 2.152,366 2.732,368 6.774,369 2.074,370 3.335,371 2.349,372 4.962,373 2.989,374 2.03,375 2.482,377 5.732,378 1.94,379 3.186,380 2.255,381 4.675,382 2.581,383 1.644,384 2.247,386 4.529,387 1.563,388 3.028,389 2.132,390 4.557,391 2.562,392 1.601,393 2.138,395 4.385,396 1.511,397 2.942,398 1.676,399 4.346,400 2.441,401 1.478,402 2.024,404 4.12,405 1.419,406 2.781,407 1.633,408 4.036,409 2.374,410 1.405,411 1.839,413 3.463,414 1.353,415 2.691,416 1.476,417 3.869,418 2.273,419 1.312,420 1.748,422 3.108,423 1.253,424 2.57,425 1.412,426 3.414,427 1.967,428 1,429 1.191,431 2.275,432 0.965,433 2.26,434 1.146,435 3.394,436 1.862,437 0.9,438 1.098,440 2.105,441 0.863,442 2.032,443 0.986,444 3.344,445 1.751,446 0.808,447 1,449 1.913,450 0.758,451 16.233,452 0.477,453 0.722,454 0.021,455 47.5,456 1.397,457 24,458 0.706,459 23.5,460 0.691,461 28.998,462 0.853,463 34.767,464 0.579,465 34.425,466 1.012,467 9.147,468 0.269,469 7.561,470 0.222,471 0.055,473 0.351,479 0.862,480 1.408,481 0.745,482 1.102,483 0.515,484 0.942,485 1.304,486 1.08,487 0.889,488 0.873,489 0.572,490 0.834,491 1.061,492 0.954,493 0.984,494 0.948,495 0.574,496 0.948,497 0.995,498 1.095,499 1.067,500 1.175,501 0.72,502 1.149,503 0.872,504 0.935,505 1.028,506 1.005,507 0.858,508 1.035,509 0.683,510 1.039,511 0.995,512 1.096,513 0.601,514 1.083,515 1.186,516 0.928,517 1.072,518 0.963,519 0.899,520 0.999,521 1.062,522 0.997,523 1.146,524 1.072,525 0.894,526 1.118,527 5.5,528 0.156,529 4.444,530 2.257,531 2.032,532 1.038,533 0.66,534 0.428,535 0.245,536 0.219,537 19980,538 48034,539 2.216,540 43.3,542 20,544 1,546 3,547 2,550 1.754,551 2.125,552 3.781,553 -0.788,559 88.31,560 1.472,561 3.613,562 4.674,563 5.328,564 5.394,565 5.394,566 3.232,567 4.514,568 5.062,569 3.959,570 2220.93,571 8.839,572 34842.6,574 1,577 354.413,578 1.221,579 5.041,580 0.141,581 0.005,582 0.079,583 0.038,584 0.038,585 0.023,586 0.016,587 0.012,588 0.008,589 0.008,590 0.368,591 0.33,592 0.88,593 0.54,594 184.589,595 0.016,596 -0.282,597 0.09,598 -0.111,599 0.093,600 -0.021,601 -0.118,602 0.02,603 0.041,604 0.076,605 0.016,606 0.079,607 -0.01,608 0.1,609 -0.037,610 0.015,611 0.082,612 -0.004,613 0.039,614 -0.132,615 -0.104,616 -0.168,617 0.049,618 -0.16,619 0.03,620 -0.006,621 -0.028,622 0.001,623 0.012,624 -0.019,625 0.042,626 -0.11,627 0.001,628 -0.091,629 0.021,630 -0.057,631 -0.102,632 0.013,633 -0.04,634 0.014,635 -0.069,636 -0.002,637 -0.037,638 -0.045,639 -0.143,640 -0.086,641 -0.07,642 -0.124,643 1.231,644 3.275,645 0.853,646 36.228,647 0.996,648 1.123,649 2.591,650 6.713,651 0.685,652 3.689,653 4.043,654 4.394,655 4.71,656 4.977,657 5.088,658 5.263,659 5.403,660 5.481,661 5.537,662 8.296,663 0.652,664 450.59,665 3.689,666 5.252,667 6.138,668 7.038,669 7.936,670 8.841,671 9.744,672 10.651,673 11.556,674 12.463,675 10,678 1,681 1,683 1,684 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,697 1,709 1,712 1,714 60,716 23,717 2,718 39,720 65,721 27,722 18,723 6,724 6,730 6,731 10,736 1,743 1,744 1,745 18,746 8,764 26,765 6,767 7,770 1,773 6,777 0.5,778 1,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 1,827 34,833 7,835 1,838 2,840 1,843 1,845 1,847 1.7,852 1,854 16,855 11.367,856 7.389,857 3.789,858 4.693,859 1.518,860 1.039,861 5.451,862 13.754,863 3.97,864 4.588,865 5.248,866 5.87,867 6.408,868 6.741,869 7.137,870 7.514,871 7.803,872 7.887,873 0.9,874 60,875 12.555,877 5.418,878 7.544,879 24.609,881 20.977,883 2.044,884 69.5,888 306.049,889 154.441,890 72.778,892 11,895 154.441,896 317.049,897 72.778,898 8.825,899 17.655,900 75.81,901 70.563,902 74.38,903 2.757,904 294.278,906 306.049,907 227.219,908 11,911 282.506,912 34.542,915 78.84,916 114.808,917 33.571,919 306.049,920 83.778,921 154.441,924 306.049,925 44.585,926 101.401,927 16.602,928 75.63,929 306.049,930 83.778,931 154.441,933 0.584,934 0.359,935 0.205,936 0.113,937 30,938 12,939 0.062,940 4,941 3,942 1.207,943 4.601,944 334.06,945 0.207,946 29,947 166.974,951 21.164,952 8.757,953 3.851,954 2.296,955 81.879,956 18.678,957 8.919,961 6.673,962 1.986,964 544.267,965 52,975 59.774,976 67.351,977 0.249,978 0.612,979 0.791,980 0.902,981 0.913,982 0.913,983 5.234,984 1.644,985 6.125,986 5.732,987 4.727,988 5.276,989 2.628,990 6.978,991 4.634,992 6.448,993 1.601,994 7.705,995 4.529,996 4.29,997 5.085,998 0.57,999 7.96,1000 4.148,1001 7.767,1002 1.478,1003 9.386,1004 4.385,1005 6.358,1006 7.521,1007 3.682,1008 11.096,1009 6.173,1010 9.122,1011 1.405,1012 11.13,1013 4.12,1014 6.781,1015 8.222,1016 0.479,1017 12.931,1018 6.546,1019 10.513,1020 1.312,1021 12.914,1022 3.463,1023 8.285,1024 10.094,1025 4.998,1026 15.582,1027 8.011,1028 11.929,1029 1,1030 14.725,1031 3.108,1032 9.105,1033 11.209,1034 0.346,1035 17.757,1036 8.781,1037 13.366,1038 0.9,1039 16.557,1040 2.275,1041 10.388,1042 12.853,1043 6.389,1044 20.252,1045 10.025,1046 3.262,1047 0.808,1048 18.405,1049 2.105,1050 11.392,1051 14.163,1052 0.237,1053 22.565,1054 10.98,1055 3.139,1056 11.514,1057 20.264,1058 1.913,1059 12.59,1060 15.71,1061 7.8,1062 25.008,1063 12.136,1064 2.806,1065 10.856,1066 22.133,1067 4.474,1068 13.677,1069 17.11,1070 0.158,1071 27.38,1072 13.175,1073 2.641,1074 9.496,1075 24.009,1076 4.333,1077 14.845,1078 18.617,1079 9.219,1080 29.807,1081 14.298,1082 2.38,1083 8.002,1084 25.891,1085 3.822,1086 15.971,1087 20.059,1088 0.104,1089 32.205,1090 15.376,1091 2.152,1092 7.082,1093 27.778,1094 3.249,1095 17.13,1096 21.551,1097 10.638,1098 34.628,1099 16.489,1100 2.03,1101 6.774,1102 29.67,1103 2.821,1104 18.275,1105 23.013,1106 0.068,1107 37.04,1108 17.585,1109 17990,1110 28104,1111 27.046,1112 41.103,1113 60.494,1114 62.092,1115 60.749,1116 58.869,1117 58.897,1118 76.892,1119 9.571,1120 174.402,1121 56.14,1122 5.615,1123 6.078,1124 6.426,1125 5.316,1126 5.262,1127 7.474,1128 4.069,1129 19.067,1130 5.08,1131 11.758,1132 1.551,1133 1.592,1134 1.558,1135 1.509,1136 1.51,1137 1.972,1138 0.245,1139 4.472,1140 1.439,1141 4.113,1142 4.149,1143 4.075,1144 4.02,1145 6.821,1146 4.027,1147 4.063,1148 4.095,1149 4.031,1150 3.95,1151 5.001,1152 3.966,1153 3.82,1154 3.886,1155 3.737,1156 3.662,1157 4.967,1158 3.677,1159 3.723,1160 3.769,1161 3.648,1162 3.578,1163 4.641,1164 3.587,1165 3.515,1166 3.569,1167 3.412,1168 3.413,1169 4.44,1170 3.406,1171 3.333,1172 3.406,1173 3.196,1174 3.186,1175 4.303,1176 3.176,1177 3.166,1178 3.214,1179 3.095,1180 2.953,1181 4.277,1182 2.973,1183 3.111,1184 3.206,1185 2.985,1186 2.941,1187 3.972,1188 2.94,1189 0.118,1190 0.105,1191 0.176,1192 0.108,1193 0.084,1194 4.615,1195 0.115,1196 4.078,1197 0.052,1198 6.882,1199 0.295,1200 4.206,1201 0.079,1202 3.262,1203 4.474,1204 2.035,1205 11.514,1206 3.08,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.078,1217 1.253,1218 2.07,1219 1.748,1220 1.679,1221 1.94,1222 1.959,1223 1.166,1224 1.958,1225 1.565,1226 1.527,1227 1.738,1228 1.717,1229 0.97,1230 1.721,1231 1.518,1232 1.471,1233 1.692,1234 1.66,1235 0.825,1236 1.677,1237 1.386,1238 1.321,1239 1.598,1240 1.599,1241 0.812,1242 1.59,1243 1.27,1244 1.203,1245 1.513,1246 1.485,1247 0.778,1248 1.491,1249 1.153,1250 1.064,1251 1.425,1252 1.376,1253 0.48,1254 1.429,1255 4.369,1257 5.714,1258 2.398,1259 7.269,1260 4.727,1261 8.921,1262 6.843,1263 10.623,1265 2.039,1271 6.369,1273 6.101,1276 5.013,1278 9.275,1279 2.15,1280 39.111,1281 88.31,1282 216.788,1283 280.439,1284 319.659,1285 323.659,1286 323.659,1287 43.224,1288 9.06,1289 70.21,1290 70.21,1291 35,1292 12.981,1293 4.585,1294 3.807,1295 45.518,1296 175,1297 156,1298 0.127,1299 235.037,1300 401.01,1301 565.249,1302 141452,1304 23.07,1305 0.679,1306 0.566,1307 23.07,1308 19.237,1309 16.708,1310 0.428,1311 0.302,1312 11.605,1313 16.116,1314 11.337,1315 9.312,1316 16.708,1317 11.761,1318 14.965,1319 0.267,1320 0.16,1321 14.965,1322 8.951,1323 13.61,1324 0.17,1325 0.086,1326 13.61,1327 6.919,1328 11.978,1329 0.109,1330 0.046,1331 11.978,1332 5.085,1333 10.079,1334 0.07,1335 0.026,1336 10.079,1337 3.674,1338 0.206,1339 104.096,1340 0.192,1341 31.828,1342 0.331,1343 190,1344 489.606,1345 205.311,1346 481.643,1347 681.71,1348 456,1349 231,1350 521.948,1351 249.196,1352 530.517,1353 784.46,1354 501,1355 8.699} {0 CHEMBL1241912,1 1.509,2 15.389,3 3.658,4 13.38,5 140.046,6 7.313,7 0.537,8 4.301,9 4.426,10 3.872,11 3.829,12 5.338,13 3.814,14 4.87,15 5.058,16 4.25,17 4.243,18 5.855,19 4.214,20 5.107,21 5.312,22 4.356,23 4.429,24 6.079,25 4.37,26 5.22,27 5.429,28 4.319,29 4.478,30 6.165,31 4.386,32 5.27,33 5.518,34 4.187,35 4.453,36 6.139,37 4.327,38 5.204,39 5.466,40 4.061,41 4.361,42 5.998,43 4.22,44 5.12,45 5.39,46 3.94,47 4.218,48 5.924,49 4.088,50 4.94,51 5.183,52 3.836,53 4.126,54 5.761,55 3.994,56 0.019,57 1.025,58 13.883,59 5.742,60 8.756,61 7.816,62 0.307,63 1.695,64 27.449,65 9.32,66 26.392,67 13.185,68 0.429,69 2.056,70 35.585,71 12.631,72 40.703,73 17.811,74 0.452,75 2.18,76 40.517,77 15.134,78 49.904,79 20.941,80 0.64,81 2.211,82 44.717,83 15.638,84 62.106,85 22.531,86 0.322,87 2.076,88 41.669,89 15.008,90 40.324,91 21.938,92 0.472,93 1.842,94 39.716,95 13.113,96 47.471,97 19.007,98 0.36,99 1.602,100 31.676,101 11.328,102 33.092,103 16.203,104 12,105 59,106 0.237,107 0.581,108 0.761,109 0.854,110 0.864,111 0.864,112 3.615,113 0.914,114 -3.68,115 -3.64,116 -3.47,119 42.4,120 1,121 1,124 1,125 6,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 8,171 1,172 9,174 1,178 8,181 3,182 10,184 1,189 6,192 3,193 8,195 1,199 6,202 2,203 6,206 1,211 2,214 1,215 8,220 1,222 1,225 1,226 5,231 2,233 2,236 2,237 3,242 2,244 4,248 1,249 3,256 6,259 2302,260 24.955,261 24.955,262 24.955,263 24.955,264 24.955,265 22.265,266 31.061,267 14.426,268 25.558,269 20.166,270 20.166,271 20.166,272 20.166,273 20.166,274 15.929,275 36.703,276 6.711,277 21.091,278 4.535,279 2.342,280 1.193,281 0.599,282 0.538,283 0.538,284 4.337,289 1,290 1246,291 3.464,294 74.304,295 452.192,298 124.988,299 299.064,302 2.278,303 25.9,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 77,315 554,316 4.631,317 3.641,318 6.921,319 4.234,320 3.286,321 4.474,322 1.151,323 11.647,324 3.116,325 4.551,326 3.396,327 6.695,328 4.108,329 3.139,330 4.347,331 1.058,332 10.856,333 3.046,334 4.247,335 3.28,336 6.441,337 3.865,338 2.886,339 3.859,340 0.8,341 9.909,342 2.82,343 3.856,344 2.919,345 5.809,346 3.582,347 2.646,348 3.249,349 0.8,350 8.004,351 2.473,352 3.69,353 2.826,354 5.777,355 3.368,356 2.412,357 2.986,359 7.658,360 2.309,361 3.524,362 2.633,363 5.328,364 3.261,365 2.307,366 2.734,368 6.87,369 2.189,370 3.337,371 2.296,372 5.054,373 3.001,374 2.039,375 2.502,377 5.738,378 1.956,379 3.176,380 2.255,381 4.96,382 2.817,383 1.837,384 2.356,386 5.448,387 1.794,388 3.028,389 2.078,390 4.562,391 2.581,392 1.629,393 2.241,395 4.502,396 1.561,397 2.94,398 1.651,399 4.457,400 2.53,401 1.585,402 2.102,404 4.224,405 1.478,406 2.779,407 1.479,408 4.036,409 2.4,410 1.419,411 1.848,413 3.464,414 1.388,415 2.69,416 1.448,417 3.969,418 2.275,419 1.313,420 1.751,422 3.108,423 1.255,424 2.504,425 1.375,426 3.855,427 2.051,428 1.122,429 1.476,431 2.886,432 1.037,433 2.259,434 1.146,435 3.414,436 1.967,437 1,438 1.171,440 2.275,441 0.965,442 2.016,443 1.091,444 3.391,445 1.84,446 0.864,447 1,449 2.064,450 0.841,451 17.067,452 0.474,453 0.811,454 0.023,455 47.5,456 1.319,457 22.5,458 0.625,459 25,460 0.694,461 32.575,462 0.905,463 38.133,464 0.578,465 36.837,466 1.023,467 9.394,468 0.261,469 8.224,470 0.228,471 0.078,473 0.363,479 0.83,480 1.481,481 0.777,482 1.146,483 0.599,484 0.981,485 1.129,486 1.069,487 0.879,488 0.858,489 0.649,490 0.826,491 0.975,492 0.979,493 0.955,494 0.958,495 0.768,496 0.945,497 1.048,498 1.13,499 1.075,500 1.17,501 1.064,502 1.143,503 0.929,504 0.959,505 1.062,506 0.998,507 0.906,508 1.041,509 0.737,510 1.077,511 1.015,512 1.128,513 0.579,514 1.109,515 1.182,516 0.906,517 1.04,518 0.927,519 0.864,520 0.961,521 0.97,522 1.055,523 1.137,524 1.127,525 0.837,526 1.155,527 6,528 0.189,529 4.889,530 2.41,531 2.237,532 1.202,533 0.761,534 0.51,535 0.303,536 0.234,537 23018,538 54721,539 2.185,540 45.5,542 23,544 1,545 1,546 3,547 2,550 1.768,551 2.077,552 3.852,553 -0.383,559 99.608,560 1.509,561 3.702,562 4.852,563 5.446,564 5.506,565 5.506,566 3.361,567 4.76,568 5.143,569 4.04,570 2544.9,571 9.003,572 41802.4,577 398.93,578 1.301,579 5.116,580 0.146,581 0.006,582 0.083,583 0.038,584 0.038,585 0.024,586 0.017,587 0.013,588 0.009,589 0.008,590 0.381,591 0.33,592 0.75,593 0.73,594 199.244,595 -0.011,596 -0.289,597 0.084,598 -0.105,599 -0.005,600 -0.017,601 -0.054,602 0.068,603 0.067,604 0.109,605 0.046,606 0.109,607 0.028,608 0.101,609 -0.003,610 0.025,611 0.083,612 0.014,613 0.022,614 -0.126,615 -0.112,616 -0.16,617 -0.023,618 -0.16,619 0.038,620 0.005,621 -0.074,622 -0.008,623 -0.01,624 -0.049,625 0.008,626 -0.125,627 -0.041,628 -0.132,629 0.01,630 -0.098,631 -0.108,632 0.025,633 -0.019,634 0.041,635 -0.057,636 0.025,637 -0.04,638 -0.083,639 -0.16,640 -0.134,641 -0.054,642 -0.162,643 1.86,644 5.14,645 0.806,646 42.438,647 0.998,648 1.127,649 2.447,650 5.987,651 0.668,652 3.738,653 4.094,654 4.443,655 4.754,656 5.024,657 5.147,658 5.333,659 5.489,660 5.576,661 5.635,662 8.715,663 0.635,664 482.64,665 3.738,666 5.303,667 6.188,668 7.089,669 7.989,670 8.895,671 9.8,672 10.709,673 11.616,674 12.526,675 9.1,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,702 1,709 1,712 1,714 66,716 23,717 2,718 41,720 71,721 28,722 18,723 6,724 6,725 1,730 6,731 10,736 1,743 1,745 19,746 9,750 1,755 1,759 1,764 30,765 7,766 1,767 8,770 1,773 6,777 0.5,778 2,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 2,827 36,833 7,834 1,835 1,838 2,847 3,850 1,852 1,854 17.333,855 12.583,856 7.833,857 4.093,858 4.619,859 1.501,860 1.03,861 6.218,862 13.842,863 3.989,864 4.618,865 5.263,866 5.878,867 6.418,868 6.754,869 7.154,870 7.532,871 7.828,872 7.918,873 1,874 64,875 13.337,877 5.747,878 7.56,879 26.061,881 22.059,883 2.06,884 74.167,888 341.362,889 150.94,890 59.73,892 36.145,895 150.94,896 377.507,897 59.73,898 17.222,899 35.666,900 75.81,901 83.81,902 43.321,903 2.757,904 329.591,906 341.362,907 210.67,908 36.145,911 317.82,912 59.687,915 65.791,916 111.308,917 33.571,919 341.362,920 95.874,921 150.94,924 341.362,925 49.29,926 109.798,927 18.011,928 69.716,929 341.362,930 95.874,931 150.94,933 0.586,934 0.359,935 0.201,936 0.112,937 31,938 13,939 0.07,940 5,941 3,942 1.207,943 4.725,944 359.924,945 0.207,946 29,947 180.117,951 23.17,952 9.661,953 4.315,954 2.287,955 93.975,956 18.641,957 9.024,961 6.554,962 1.978,963 18.011,964 588.176,965 53,970 12.14,974 -0.194,975 65.869,976 74.391,977 0.25,978 0.613,979 0.803,980 0.901,981 0.911,982 0.911,983 5.25,984 1.837,985 6.18,986 5.738,987 4.779,988 5.306,989 2.055,990 7.038,991 4.692,992 6.459,993 1.629,994 7.765,995 5.448,996 4.369,997 5.156,998 0.57,999 8.032,1000 4.246,1001 7.78,1002 1.585,1003 9.452,1004 4.502,1005 6.415,1006 7.546,1007 2.072,1008 11.17,1009 6.245,1010 9.139,1011 1.419,1012 11.2,1013 4.224,1014 6.858,1015 8.269,1016 0.479,1017 13.013,1018 6.647,1019 10.534,1020 1.313,1021 12.988,1022 3.464,1023 8.35,1024 10.118,1025 2.197,1026 15.671,1027 8.098,1028 11.954,1029 1.122,1030 14.803,1031 3.108,1032 9.182,1033 11.244,1034 0.346,1035 17.851,1036 8.888,1037 13.394,1038 1,1039 16.639,1040 2.886,1041 10.46,1042 12.878,1043 2.364,1044 20.353,1045 10.126,1046 3.286,1047 0.864,1048 18.49,1049 2.275,1050 11.472,1051 14.192,1052 0.237,1053 22.672,1054 11.094,1055 3.139,1056 11.647,1057 20.352,1058 2.064,1059 12.669,1060 15.735,1061 2.556,1062 25.122,1063 12.25,1064 2.886,1065 10.856,1066 22.224,1067 4.474,1068 13.762,1069 17.137,1070 0.158,1071 27.501,1072 13.298,1073 2.646,1074 9.909,1075 24.103,1076 4.347,1077 14.931,1078 18.643,1079 2.765,1080 29.934,1081 14.425,1082 2.412,1083 8.004,1084 25.988,1085 3.859,1086 16.062,1087 20.086,1088 0.104,1089 32.34,1090 15.509,1091 2.307,1092 7.658,1093 27.879,1094 3.249,1095 17.225,1096 21.577,1097 2.986,1098 34.77,1099 16.627,1100 2.039,1101 6.87,1102 29.773,1103 2.986,1104 18.373,1105 23.04,1106 0.068,1107 37.19,1108 17.729,1109 20934,1110 32474,1111 28.145,1112 44.08,1113 62.283,1114 63.559,1115 64.48,1116 61.909,1117 61.898,1118 79.68,1119 7.618,1120 184.007,1121 59.203,1122 5.631,1123 5.641,1124 6.465,1125 5.344,1126 5.286,1127 7.474,1128 2.302,1129 19.274,1130 5.116,1131 14.876,1132 1.519,1133 1.55,1134 1.573,1135 1.51,1136 1.51,1137 1.943,1138 0.186,1139 4.488,1140 1.444,1141 4.117,1142 4.152,1143 4.079,1144 4.021,1145 7.429,1146 4.028,1147 4.065,1148 4.097,1149 4.032,1150 3.951,1151 5.005,1152 3.968,1153 3.825,1154 3.888,1155 3.747,1156 3.667,1157 4.97,1158 3.683,1159 3.737,1160 3.782,1161 3.656,1162 3.581,1163 4.648,1164 3.591,1165 3.519,1166 3.574,1167 3.415,1168 3.414,1169 4.441,1170 3.406,1171 3.445,1172 3.525,1173 3.33,1174 3.203,1175 4.304,1176 3.211,1177 3.319,1178 3.394,1179 3.167,1180 3.132,1181 4.277,1182 3.14,1183 3.122,1184 3.206,1185 3,1186 2.953,1187 4.173,1188 2.94,1189 0.113,1190 0.089,1191 0.169,1192 0.103,1193 0.08,1194 4.631,1195 0.109,1196 3.641,1197 0.028,1198 6.921,1199 0.284,1200 4.234,1201 0.076,1202 3.286,1203 4.474,1204 1.151,1205 11.647,1206 3.116,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.079,1217 1.253,1218 2.071,1219 1.748,1220 1.68,1221 1.94,1222 1.96,1223 1.167,1224 1.959,1225 1.596,1226 1.561,1227 1.75,1228 1.809,1229 0.979,1230 1.789,1231 1.523,1232 1.474,1233 1.73,1234 1.687,1235 0.825,1236 1.701,1237 1.421,1238 1.353,1239 1.661,1240 1.634,1241 0.817,1242 1.65,1243 1.306,1244 1.236,1245 1.577,1246 1.518,1247 0.79,1248 1.541,1249 1.197,1250 1.106,1251 1.513,1252 1.463,1253 0.68,1254 1.457,1255 4.419,1257 5.765,1258 2.398,1259 7.321,1260 4.727,1261 8.972,1262 6.862,1263 10.674,1265 3.653,1271 6.26,1272 2.651,1273 6.165,1276 5.006,1280 41.88,1281 99.608,1282 244.352,1283 320.201,1284 359.42,1285 363.42,1286 363.42,1287 50.546,1288 9.222,1289 75.52,1290 75.52,1291 35,1292 13.042,1293 4.585,1294 3.7,1295 49.448,1296 194,1297 174,1298 0.124,1299 251.553,1300 429.74,1301 605.548,1302 171386,1304 24.648,1305 0.685,1306 0.575,1307 24.648,1308 20.698,1309 17.619,1310 0.43,1311 0.305,1312 12.304,1313 16.922,1314 11.992,1315 9.88,1316 17.619,1317 12.492,1318 15.846,1319 0.269,1320 0.16,1321 15.846,1322 9.418,1323 14.368,1324 0.171,1325 0.086,1326 14.368,1327 7.256,1328 12.405,1329 0.108,1330 0.046,1331 12.405,1332 5.3,1333 10.465,1334 0.069,1335 0.025,1336 10.465,1337 3.836,1338 0.202,1339 110.342,1340 0.188,1341 33.378,1342 0.324,1343 200,1344 528.029,1345 218.219,1346 510.862,1347 720.87,1348 484,1349 243,1350 549.584,1351 264.077,1352 555.831,1353 825.81,1354 525,1355 9.9} {0 CHEMBL1241913,1 1.525,2 14.771,3 3.452,4 11.916,5 135.15,6 7.438,7 0.55,8 4.261,9 4.385,10 3.844,11 3.795,12 5.324,13 3.784,14 4.823,15 5.002,16 4.232,17 4.214,18 5.854,19 4.188,20 5.072,21 5.274,22 4.325,23 4.399,24 6.056,25 4.341,26 5.183,27 5.395,28 4.284,29 4.447,30 6.117,31 4.352,32 5.237,33 5.487,34 4.133,35 4.411,36 6.123,37 4.281,38 5.152,39 5.419,40 4.005,41 4.301,42 5.95,43 4.159,44 5.028,45 5.29,46 3.891,47 4.154,48 5.865,49 4.028,50 4.897,51 5.145,52 3.783,53 4.063,54 5.733,55 3.933,56 0.02,57 0.984,58 12.946,59 5.418,60 9.62,61 7.257,62 0.266,63 1.626,64 25.418,65 8.994,66 31.063,67 12.451,68 0.43,69 1.996,70 33.847,71 12.066,72 42.051,73 16.804,74 0.395,75 2.118,76 38.507,77 14.664,78 42.074,79 20.317,80 0.62,81 2.126,82 43.315,83 15.353,84 66.861,85 21.951,86 0.319,87 1.958,88 39.931,89 14.421,90 41.377,91 21.017,92 0.388,93 1.725,94 35.564,95 11.949,96 43.834,97 17.26,98 0.361,99 1.528,100 30.521,101 10.764,102 35.384,103 15.357,104 11,105 58,106 0.241,107 0.595,108 0.755,109 0.853,110 0.863,111 0.863,112 3.588,113 0.902,114 -3.48,115 -3.46,116 -3.3,119 42.9,120 1,121 1,125 6,140 8,141 2,142 3,144 3,150 1,156 1,158 1,161 1,162 1,163 1,169 8,171 1,172 9,173 1,174 1,178 8,181 3,182 10,183 1,184 1,189 6,192 3,193 8,194 1,195 1,199 6,202 2,203 6,205 1,206 1,211 2,214 1,215 8,220 1,222 1,224 1,225 1,226 5,231 2,233 2,235 2,236 2,237 3,242 2,244 4,246 2,248 1,249 3,256 6,259 2110,260 24.085,261 24.085,262 24.085,263 24.085,264 24.085,265 21.343,266 29.527,267 13.922,268 24.611,269 19.746,270 19.746,271 19.746,272 19.746,273 19.746,274 15.515,275 35.863,276 6.552,277 20.623,278 4.452,279 2.216,280 1.206,281 0.583,282 0.52,283 0.52,284 4.31,289 1,290 1168,291 3.317,294 72.028,295 435.927,298 120.911,299 288.409,302 2.147,303 26.902,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 75,315 517,316 4.628,317 3.613,318 6.916,319 4.23,320 3.283,321 4.474,322 1.151,323 11.624,324 3.111,325 4.551,326 3.378,327 6.695,328 4.108,329 3.139,330 4.346,331 0.98,332 10.856,333 3.046,334 4.238,335 3.279,336 6.422,337 3.851,338 2.873,339 3.854,340 0.8,341 9.828,342 2.806,343 3.856,344 2.915,345 5.808,346 3.581,347 2.645,348 3.249,349 0.8,350 8.003,351 2.472,352 3.659,353 2.822,354 5.735,355 3.351,356 2.4,357 2.954,359 7.501,360 2.288,361 3.52,362 2.633,363 5.326,364 3.24,365 2.278,366 2.734,368 6.859,369 2.177,370 3.334,371 2.294,372 4.981,373 2.999,374 2.038,375 2.496,377 5.735,378 1.953,379 3.141,380 2.255,381 4.954,382 2.767,383 1.78,384 2.316,386 5.174,387 1.75,388 3.027,389 2.077,390 4.561,391 2.581,392 1.627,393 2.238,395 4.5,396 1.561,397 2.938,398 1.651,399 4.434,400 2.526,401 1.58,402 2.098,404 4.215,405 1.475,406 2.778,407 1.479,408 4.036,409 2.399,410 1.418,411 1.846,413 3.464,414 1.387,415 2.689,416 1.448,417 3.879,418 2.275,419 1.313,420 1.75,422 3.108,423 1.255,424 2.466,425 1.375,426 3.68,427 1.978,428 1.034,429 1.4,431 2.536,432 0.967,433 2.258,434 1.146,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2.006,443 0.94,444 3.387,445 1.829,446 0.852,447 1,449 2.046,450 0.83,451 16.567,452 0.473,453 0.849,454 0.024,455 46.75,456 1.336,457 22.5,458 0.643,459 24.25,460 0.693,461 31.087,462 0.888,463 36.833,464 0.585,465 35.719,466 1.021,467 9.197,468 0.263,469 7.883,470 0.225,471 0.074,473 0.374,479 0.85,480 1.41,481 0.769,482 1.096,483 0.696,484 0.944,485 1.067,486 1.103,487 0.862,488 0.895,489 0.535,490 0.847,491 0.995,492 0.973,493 0.988,494 0.959,495 0.76,496 0.962,497 0.885,498 1.119,499 1.049,500 1.185,501 0.673,502 1.154,503 0.884,504 0.949,505 1.059,506 1.013,507 0.864,508 1.057,509 0.7,510 1.029,511 0.962,512 1.073,513 0.547,514 1.058,515 1.059,516 0.973,517 1.066,518 1.005,519 0.824,520 1.03,521 0.971,522 1.028,523 1.122,524 1.098,525 0.822,526 1.13,527 6,528 0.189,529 4.667,530 2.41,531 2.237,532 1.122,533 0.74,534 0.482,535 0.291,536 0.219,537 21419,538 52406,539 2.191,540 44.4,542 20,544 1,545 2,546 3,547 2,550 1.761,551 2.079,552 3.8,553 0.162,559 96.071,560 1.525,561 3.761,562 4.771,563 5.394,564 5.457,565 5.457,566 3.248,567 4.786,568 5.104,569 3.994,570 2376.43,571 8.922,572 38142.5,577 376.569,578 1.313,579 5.074,580 0.15,581 0.006,582 0.08,583 0.039,584 0.039,585 0.023,586 0.018,587 0.013,588 0.009,589 0.008,590 0.385,591 0.33,592 0.75,593 0.597,594 191.831,595 -0.036,596 -0.227,597 0.074,598 -0.07,599 -0.048,600 0.004,601 -0.038,602 0.023,603 0.064,604 0.078,605 0.126,606 0.086,607 -0.001,608 0.103,609 -0.045,610 0.019,611 0.043,612 -0.009,613 0.057,614 -0.122,615 -0.098,616 -0.174,617 0.04,618 -0.164,619 0.053,620 -0.006,621 -0.068,622 -0.016,623 0.008,624 -0.052,625 0.028,626 -0.102,627 0.024,628 -0.071,629 0.031,630 -0.032,631 -0.089,632 -0.024,633 -0.058,634 -0.032,635 -0.051,636 -0.038,637 -0.036,638 -0.07,639 -0.133,640 -0.11,641 -0.039,642 -0.135,643 2.198,644 4.661,645 0.829,646 39.053,647 1,648 1.127,649 2.249,650 5.056,651 0.672,652 3.714,653 4.078,654 4.419,655 4.736,656 5.004,657 5.124,658 5.303,659 5.455,660 5.529,661 5.591,662 8.489,663 0.641,664 468.61,665 3.714,666 5.283,667 6.168,668 7.071,669 7.969,670 8.877,671 9.781,672 10.69,673 11.597,674 12.507,675 9.5,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,701 1,709 1,712 1,714 63,716 23,717 2,718 40,720 68,721 27,722 18,723 6,724 6,725 1,730 6,731 10,736 1,743 1,745 19,746 8,750 1,755 1,759 1,764 28,765 7,766 2,767 8,770 1,773 6,777 0.5,778 2,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 1,827 35,828 1,833 7,835 1,838 2,847 3.2,850 1,852 1,854 16.833,855 11.667,856 7.5,857 3.864,858 4.609,859 1.504,860 1.041,861 5.768,862 13.754,863 3.97,864 4.608,865 5.248,866 5.87,867 6.408,868 6.741,869 7.137,870 7.514,871 7.803,872 7.887,873 0.9,874 62,875 12.955,877 5.632,878 7.605,879 25.221,881 21.509,883 2.105,884 73.667,888 306.049,889 142.544,890 74.616,892 36.145,895 142.544,896 342.193,897 74.616,898 8.825,899 50.553,900 75.81,901 83.81,902 43.321,903 2.757,904 294.278,906 306.049,907 217.16,908 36.145,911 282.506,912 59.687,915 80.677,916 102.911,917 33.571,919 306.049,920 110.761,921 142.544,924 306.049,925 49.29,926 101.401,928 102.613,929 306.049,930 110.761,931 142.544,933 0.59,934 0.356,935 0.201,936 0.112,937 31,938 13,939 0.074,940 5,941 3,942 1.207,943 4.649,944 347.696,945 0.207,946 29,947 173.525,951 22.232,952 9.081,953 4.099,954 2.278,955 108.862,956 18.483,957 8.883,961 6.239,962 1.918,963 32.897,964 559.353,965 52,970 11.661,974 -0.532,975 62.985,976 70.976,977 0.255,978 0.629,979 0.798,980 0.902,981 0.913,982 0.913,983 5.234,984 1.78,985 6.163,986 5.735,987 4.762,988 5.296,989 2.013,990 7.022,991 4.677,992 6.448,993 1.627,994 7.749,995 5.174,996 4.369,997 5.156,998 0.57,999 8.017,1000 4.246,1001 7.77,1002 1.58,1003 9.436,1004 4.5,1005 6.399,1006 7.538,1007 1.984,1008 11.153,1009 6.229,1010 9.129,1011 1.418,1012 11.184,1013 4.215,1014 6.847,1015 8.264,1016 0.479,1017 12.995,1018 6.636,1019 10.524,1020 1.313,1021 12.972,1022 3.464,1023 8.335,1024 10.113,1025 2.074,1026 15.652,1027 8.083,1028 11.944,1029 1.034,1030 14.788,1031 3.108,1032 9.169,1033 11.239,1034 0.346,1035 17.832,1036 8.873,1037 13.384,1038 1,1039 16.624,1040 2.536,1041 10.446,1042 12.874,1043 2.218,1044 20.332,1045 10.111,1046 3.283,1047 0.852,1048 18.474,1049 2.275,1050 11.458,1051 14.188,1052 0.237,1053 22.651,1054 11.078,1055 3.139,1056 11.624,1057 20.337,1058 2.046,1059 12.655,1060 15.732,1061 2.397,1062 25.099,1063 12.233,1064 2.873,1065 10.856,1066 22.208,1067 4.474,1068 13.748,1069 17.134,1070 0.158,1071 27.478,1072 13.28,1073 2.645,1074 9.828,1075 24.087,1076 4.346,1077 14.917,1078 18.64,1079 2.602,1080 29.91,1081 14.407,1082 2.4,1083 8.003,1084 25.972,1085 3.854,1086 16.047,1087 20.083,1088 0.104,1089 32.315,1090 15.491,1091 2.278,1092 7.501,1093 27.862,1094 3.249,1095 17.209,1096 21.574,1097 2.826,1098 34.743,1099 16.608,1100 2.038,1101 6.859,1102 29.756,1103 2.954,1104 18.358,1105 23.037,1106 0.068,1107 37.162,1108 17.709,1109 19388,1110 30546,1111 27.452,1112 42.319,1113 61.412,1114 61.89,1115 62.827,1116 60.981,1117 60.988,1118 78.858,1119 7.461,1120 181.526,1121 58.417,1122 5.628,1123 5.613,1124 6.446,1125 5.34,1126 5.283,1127 7.474,1128 2.302,1129 19.235,1130 5.111,1131 14.561,1132 1.535,1133 1.547,1134 1.571,1135 1.525,1136 1.525,1137 1.971,1138 0.187,1139 4.538,1140 1.46,1141 4.116,1142 4.151,1143 4.078,1144 4.02,1145 7.437,1146 4.027,1147 4.064,1148 4.096,1149 4.032,1150 3.951,1151 5.022,1152 3.967,1153 3.823,1154 3.887,1155 3.744,1156 3.664,1157 4.975,1158 3.68,1159 3.732,1160 3.776,1161 3.653,1162 3.579,1163 4.861,1164 3.589,1165 3.516,1166 3.57,1167 3.413,1168 3.414,1169 4.628,1170 3.406,1171 3.356,1172 3.423,1173 3.251,1174 3.188,1175 4.44,1176 3.181,1177 3.277,1178 3.342,1179 3.152,1180 2.99,1181 4.303,1182 3.036,1183 3.111,1184 3.206,1185 2.994,1186 2.953,1187 4.277,1188 2.94,1189 0.116,1190 0.09,1191 0.173,1192 0.106,1193 0.082,1194 4.628,1195 0.112,1196 3.613,1197 0.029,1198 6.916,1199 0.291,1200 4.23,1201 0.078,1202 3.283,1203 4.474,1204 1.151,1205 11.624,1206 3.111,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.079,1217 1.253,1218 2.07,1219 1.748,1220 1.68,1221 1.94,1222 1.96,1223 1.166,1224 1.959,1225 1.577,1226 1.545,1227 1.739,1228 1.764,1229 0.976,1230 1.744,1231 1.52,1232 1.473,1233 1.7,1234 1.679,1235 0.825,1236 1.69,1237 1.397,1238 1.334,1239 1.61,1240 1.624,1241 0.814,1242 1.624,1243 1.279,1244 1.214,1245 1.513,1246 1.493,1247 0.784,1248 1.51,1249 1.153,1250 1.064,1251 1.466,1252 1.376,1253 0.48,1254 1.429,1255 4.394,1257 5.746,1258 2.398,1259 7.303,1260 4.727,1261 8.956,1262 6.862,1263 10.659,1265 2.034,1269 5.46,1271 6.161,1273 6.093,1276 4.986,1280 40.353,1281 96.071,1282 236.943,1283 300.594,1284 339.814,1285 343.814,1286 343.814,1287 49.089,1288 9.144,1289 89.51,1290 89.51,1291 35,1292 13.022,1293 4.585,1294 3.7,1295 47.468,1296 184,1297 164,1298 0.126,1299 241.96,1300 412.44,1301 582.143,1302 156041,1304 23.941,1305 0.684,1306 0.565,1307 23.941,1308 19.776,1309 17.081,1310 0.427,1311 0.301,1312 11.858,1313 16.424,1314 11.595,1315 9.517,1316 17.081,1317 12.031,1318 15.704,1319 0.271,1320 0.159,1321 15.704,1322 9.203,1323 13.849,1324 0.169,1325 0.086,1326 13.849,1327 7.047,1328 12.224,1329 0.108,1330 0.046,1331 12.224,1332 5.197,1333 10.271,1334 0.069,1335 0.025,1336 10.271,1337 3.741,1338 0.204,1339 106.845,1340 0.191,1341 32.591,1342 0.328,1343 196,1344 519.009,1345 213.858,1346 503.944,1347 709.15,1348 476,1349 238,1350 541.02,1351 258.245,1352 547.22,1353 812.06,1354 517,1355 9.786} {0 CHEMBL1241998,1 1.48,2 16.158,3 4.384,4 19.221,5 149.213,6 7.093,7 0.512,8 4.376,9 4.504,10 3.919,11 3.903,12 5.39,13 3.88,14 4.953,15 5.146,16 4.304,17 4.316,18 5.917,19 4.278,20 5.209,21 5.426,22 4.396,23 4.502,24 6.151,25 4.432,26 5.319,27 5.545,28 4.382,29 4.546,30 6.245,31 4.448,32 5.337,33 5.577,34 4.263,35 4.513,36 6.256,37 4.395,38 5.271,39 5.528,40 4.173,41 4.446,42 6.078,43 4.316,44 5.225,45 5.483,46 4.056,47 4.345,48 6.042,49 4.214,50 5.131,51 5.392,52 3.938,53 4.253,54 5.916,55 4.114,56 0.036,57 1.103,58 15.772,59 6.41,60 10.088,61 8.913,62 0.313,63 1.829,64 30.702,65 10.45,66 29.126,67 15.137,68 0.508,69 2.251,70 40.708,71 13.815,72 46.383,73 20.036,74 0.48,75 2.354,76 46.072,77 16.91,78 52.903,79 23.963,80 0.732,81 2.333,82 48.217,83 16.479,84 78.591,85 23.652,86 0.366,87 2.247,88 44.481,89 15.581,90 43.405,91 23.068,92 0.474,93 2.076,94 43.323,95 14.304,96 48.321,97 20.952,98 0.521,99 1.836,100 39.854,101 13.664,102 43.917,103 19.665,104 20,105 62,106 0.229,107 0.566,108 0.757,109 0.841,110 0.849,111 0.849,112 3.668,113 0.937,114 -4.07,115 -4.01,116 -3.8,119 41.7,120 3,121 1,125 6,127 1,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 8,171 1,172 9,174 1,176 2,178 9,181 3,182 10,184 1,189 6,192 3,193 10,195 1,199 6,202 2,203 8,206 1,211 2,214 1,215 10,220 1,222 1,225 1,226 7,231 2,233 2,236 2,237 3,242 2,244 6,248 1,249 3,256 10,259 2774,260 25.947,261 25.947,262 25.947,263 25.947,264 25.947,265 23.257,266 34.223,267 15.076,268 26.543,269 21.239,270 21.239,271 21.239,272 21.239,273 21.239,274 17.034,275 44.203,276 7.127,277 22.204,278 4.69,279 2.502,280 1.271,281 0.726,282 0.67,283 0.67,284 4.386,289 1,290 1369,291 3.873,294 79.211,295 486.12,298 133.801,299 321.354,302 2.482,303 27.727,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 81,315 614,316 4.631,317 3.652,318 6.922,319 4.236,320 3.287,321 4.474,322 1.151,323 11.651,324 3.118,325 4.551,326 3.403,327 6.695,328 4.108,329 3.139,330 4.348,331 1.058,332 10.856,333 3.046,334 4.251,335 3.28,336 6.445,337 3.875,338 2.897,339 3.86,340 0.8,341 9.931,342 2.828,343 3.856,344 2.921,345 5.81,346 3.583,347 2.647,348 3.249,349 0.8,350 8.004,351 2.475,352 3.72,353 2.829,354 5.792,355 3.412,356 2.451,357 3.006,359 7.746,360 2.351,361 3.527,362 2.634,363 5.33,364 3.29,365 2.349,366 2.734,368 6.878,369 2.207,370 3.344,371 2.308,372 5.123,373 3.06,374 2.093,375 2.514,377 5.887,378 2.021,379 3.255,380 2.255,381 4.961,382 2.988,383 2.028,384 2.41,386 5.726,387 1.94,388 3.03,389 2.229,390 4.632,391 2.699,392 1.715,393 2.243,395 4.654,396 1.684,397 2.971,398 2.073,399 4.558,400 2.581,401 1.623,402 2.112,404 4.491,405 1.561,406 2.92,407 1.651,408 4.407,409 2.523,410 1.575,411 1.985,413 4.206,414 1.473,415 2.777,416 1.479,417 4.036,418 2.398,419 1.417,420 1.843,422 3.464,423 1.386,424 2.689,425 1.448,426 3.881,427 2.275,428 1.313,429 1.749,431 3.108,432 1.255,433 2.45,434 1.375,435 3.75,436 1.978,437 1.033,438 1.374,440 2.628,441 0.968,442 2.258,443 1.146,444 3.414,445 1.967,446 1,447 1.168,449 2.275,450 0.965,451 18.067,452 0.475,453 0.956,454 0.025,455 48.5,456 1.276,457 22.5,458 0.592,459 26,460 0.684,461 37.291,462 0.981,463 40.733,464 0.566,465 38.034,466 1.001,467 9.327,468 0.245,469 9.148,470 0.241,471 0.101,473 0.371,479 0.829,480 1.483,481 0.81,482 1.167,483 0.631,484 1.011,485 1.089,486 1.142,487 0.873,488 0.914,489 0.617,490 0.864,491 1.06,492 0.966,493 1.003,494 0.943,495 0.839,496 0.949,497 0.977,498 1.085,499 0.971,500 1.105,501 0.952,502 1.055,503 1.24,504 0.985,505 1.109,506 0.984,507 1.605,508 1.032,509 0.83,510 1.09,511 1.025,512 1.092,513 0.654,514 1.078,515 1.239,516 1.012,517 1.141,518 1.051,519 0.869,520 1.076,521 1.24,522 0.907,523 1.075,524 0.951,525 0.88,526 0.998,527 7,528 0.23,529 4.889,530 2.66,531 2.317,532 1.288,533 0.913,534 0.572,535 0.368,536 0.283,537 26548,538 59851,539 2.159,540 47.2,542 21,544 1,545 1,546 3,547 8,550 1.782,551 2.036,552 3.922,553 -0.4,559 106.544,560 1.48,561 3.667,562 4.899,563 5.444,564 5.5,565 5.5,566 3.387,567 4.86,568 5.219,569 4.126,570 2900.76,571 9.159,572 49942.5,577 444.235,578 1.36,579 5.187,580 0.163,581 0.007,582 0.079,583 0.04,584 0.037,585 0.023,586 0.018,587 0.013,588 0.009,589 0.008,590 0.398,591 0.33,592 0.75,593 0.894,594 214.315,595 0.001,596 -0.273,597 0.083,598 -0.098,599 -0.02,600 -0.014,601 -0.011,602 -0.002,603 0.091,604 0.071,605 0.086,606 0.092,608 0.128,609 -0.028,610 0.032,611 0.027,612 0.009,613 0.084,614 -0.092,615 0.007,616 -0.094,617 0.079,618 -0.062,619 -0.026,620 -0.009,621 -0.106,623 -0.117,624 -0.056,625 -0.024,626 -0.097,627 -0.053,628 -0.108,629 -0.023,630 -0.086,631 -0.133,632 -0.033,633 -0.137,634 -0.09,635 -0.076,636 -0.108,637 -0.085,638 0.026,639 -0.066,640 0.029,641 -0.052,642 -0.014,643 1.828,644 5.582,645 0.763,646 49.842,647 0.995,648 1.128,649 2.835,650 8.038,651 0.661,652 3.784,653 4.143,654 4.466,655 4.787,656 5.05,657 5.182,658 5.371,659 5.537,660 5.635,661 5.717,662 9.187,663 0.624,664 510.7,665 3.784,666 5.352,667 6.229,668 7.13,669 8.023,670 8.93,671 9.831,672 10.74,673 11.645,674 12.556,675 8.3,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,702 1,709 1,712 1,714 72,716 23,717 2,718 43,720 77,721 30,722 18,723 6,724 6,725 1,730 6,731 10,736 3,743 2,745 19,746 11,750 1,755 1,759 1,764 34,765 7,766 1,767 8,770 1,773 6,777 0.5,778 2,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 3,827 38,833 7,834 1,835 1,837 1,838 2,847 2.8,850 1,852 1,854 18.667,855 13.917,856 8.167,857 4.593,858 4.635,859 1.495,860 1.012,861 6.916,862 13.997,863 4.025,864 4.647,865 5.274,866 5.895,867 6.428,868 6.768,869 7.17,870 7.555,871 7.854,872 7.961,873 0.909,874 66,875 14.104,877 6.063,878 7.539,879 27.634,881 23.384,883 2.039,884 77.5,888 388.446,889 160.194,890 59.73,892 36.145,895 160.194,896 424.591,897 59.73,898 26.476,899 35.666,900 75.81,901 83.81,902 43.321,903 2.757,904 376.675,906 388.446,907 219.924,908 36.145,911 294.278,912 130.314,915 83.441,916 102.911,917 33.571,919 388.446,920 95.874,921 160.194,924 388.446,925 49.29,926 119.052,927 18.011,928 69.716,929 388.446,930 95.874,931 160.194,933 0.588,934 0.346,935 0.198,936 0.109,937 32,938 14,939 0.078,940 6,941 3,942 1.207,943 4.873,944 384.344,945 0.207,946 29,947 191.421,951 25.054,952 10.49,953 4.974,954 2.288,955 93.975,956 18.695,957 9.113,961 6.584,962 1.997,963 18.011,964 644.515,965 55,970 12.582,974 -0.161,975 71.636,976 81.221,977 0.24,978 0.594,979 0.794,980 0.882,981 0.891,982 0.891,983 5.291,984 2.028,985 6.225,986 5.887,987 4.828,988 5.335,989 2.055,990 7.076,991 4.742,992 6.499,993 1.715,994 7.805,995 5.726,996 4.443,997 5.19,998 0.57,999 8.055,1000 4.32,1001 7.816,1002 1.623,1003 9.487,1004 4.654,1005 6.457,1006 7.559,1007 2.072,1008 11.191,1009 6.286,1010 9.17,1011 1.575,1012 11.229,1013 4.491,1014 6.899,1015 8.279,1016 0.479,1017 13.023,1018 6.689,1019 10.559,1020 1.417,1021 13.012,1022 4.206,1023 8.382,1024 10.124,1025 2.197,1026 15.682,1027 8.128,1028 11.975,1029 1.313,1030 14.823,1031 3.464,1032 9.209,1033 11.248,1034 0.346,1035 17.858,1036 8.915,1037 13.411,1038 1.033,1039 16.655,1040 3.108,1041 10.484,1042 12.881,1043 2.364,1044 20.361,1045 10.149,1046 3.287,1047 1,1048 18.503,1049 2.628,1050 11.491,1051 14.194,1052 0.237,1053 22.678,1054 11.113,1055 3.139,1056 11.651,1057 20.364,1058 2.275,1059 12.687,1060 15.737,1061 2.556,1062 25.128,1063 12.268,1064 2.897,1065 10.856,1066 22.233,1067 4.474,1068 13.777,1069 17.138,1070 0.158,1071 27.506,1072 13.314,1073 2.647,1074 9.931,1075 24.111,1076 4.348,1077 14.946,1078 18.644,1079 2.765,1080 29.94,1081 14.44,1082 2.451,1083 8.004,1084 25.995,1085 3.86,1086 16.075,1087 20.087,1088 0.104,1089 32.346,1090 15.523,1091 2.349,1092 7.746,1093 27.885,1094 3.249,1095 17.237,1096 21.578,1097 2.986,1098 34.776,1099 16.64,1100 2.093,1101 6.878,1102 29.779,1103 3.006,1104 18.385,1105 23.041,1106 0.068,1107 37.196,1108 17.742,1109 24340,1110 36726,1111 29.244,1112 47.603,1113 65.854,1114 66.546,1115 67.466,1116 65.298,1117 65.329,1118 83.155,1119 7.618,1120 193.278,1121 62.561,1122 5.631,1123 5.652,1124 6.452,1125 5.345,1126 5.287,1127 7.474,1128 2.302,1129 19.288,1130 5.118,1131 17.794,1132 1.531,1133 1.548,1134 1.569,1135 1.519,1136 1.519,1137 1.934,1138 0.177,1139 4.495,1140 1.455,1141 4.118,1142 4.154,1143 4.08,1144 4.021,1145 7.429,1146 4.028,1147 4.065,1148 4.097,1149 4.032,1150 3.952,1151 5.006,1152 3.968,1153 3.827,1154 3.889,1155 3.751,1156 3.672,1157 4.969,1158 3.688,1159 3.751,1160 3.802,1161 3.661,1162 3.586,1163 4.648,1164 3.596,1165 3.63,1166 3.702,1167 3.494,1168 3.458,1169 4.441,1170 3.453,1171 3.514,1172 3.567,1173 3.409,1174 3.411,1175 4.308,1176 3.403,1177 3.332,1178 3.403,1179 3.184,1180 3.184,1181 4.288,1182 3.173,1183 3.179,1184 3.216,1185 3.071,1186 2.953,1187 4.274,1188 2.955,1189 0.108,1190 0.085,1191 0.161,1192 0.099,1193 0.076,1194 4.631,1195 0.104,1196 3.652,1197 0.027,1198 6.922,1199 0.271,1200 4.236,1201 0.073,1202 3.287,1203 4.474,1204 1.151,1205 11.651,1206 3.118,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.079,1217 1.253,1218 2.071,1219 1.749,1220 1.681,1221 1.941,1222 1.96,1223 1.167,1224 1.959,1225 1.682,1226 1.624,1227 1.922,1228 1.896,1229 1.1,1230 1.903,1231 1.538,1232 1.488,1233 1.738,1234 1.705,1235 0.974,1236 1.715,1237 1.507,1238 1.46,1239 1.69,1240 1.653,1241 0.825,1242 1.673,1243 1.376,1244 1.314,1245 1.598,1246 1.594,1247 0.814,1248 1.588,1249 1.266,1250 1.201,1251 1.513,1252 1.486,1253 0.784,1254 1.494,1255 4.466,1257 5.814,1258 2.398,1259 7.362,1260 4.727,1261 9.006,1262 6.862,1263 10.702,1265 5.929,1271 6.25,1272 2.929,1273 6.226,1275 0.054,1276 5.014,1280 44.933,1281 106.544,1282 264.057,1283 352.751,1284 391.97,1285 395.97,1286 395.97,1287 57.401,1288 9.362,1289 75.52,1290 75.52,1291 35,1292 13.072,1293 4.585,1294 3.7,1295 53.516,1296 214,1297 196,1298 0.121,1299 270.737,1300 464.34,1301 652.359,1302 203592,1304 26.225,1305 0.69,1306 0.586,1307 26.225,1308 22.276,1309 18.474,1310 0.43,1311 0.312,1312 13.255,1313 17.789,1314 12.865,1315 10.644,1316 18.474,1317 13.435,1318 17.067,1319 0.275,1320 0.169,1321 17.067,1322 10.467,1323 14.567,1324 0.169,1325 0.087,1326 14.567,1327 7.448,1328 13.021,1329 0.109,1330 0.046,1331 13.021,1332 5.512,1333 10.691,1334 0.069,1335 0.025,1336 10.691,1337 3.928,1338 0.197,1339 115.327,1340 0.185,1341 34.956,1342 0.315,1343 210,1344 538.029,1345 228.885,1346 521.959,1347 737.09,1348 494,1349 253,1350 564.147,1351 274.41,1352 570.69,1353 846.87,1354 539,1355 9.801} {0 CHEMBL1242081,1 1.49,2 16.158,3 4.148,4 17.203,5 147.257,6 7.267,7 0.5,8 4.365,9 4.488,10 3.936,11 3.908,12 5.366,13 3.889,14 4.935,15 5.12,16 4.292,17 4.305,18 5.894,19 4.267,20 5.175,21 5.393,22 4.387,23 4.474,24 6.112,25 4.41,26 5.26,27 5.471,28 4.379,29 4.521,30 6.199,31 4.433,32 5.315,33 5.557,34 4.257,35 4.501,36 6.213,37 4.384,38 5.25,39 5.506,40 4.168,41 4.432,42 6.044,43 4.303,44 5.192,45 5.449,46 4.047,47 4.319,48 5.995,49 4.193,50 5.071,51 5.326,52 3.93,53 4.225,54 5.861,55 4.092,56 0.027,57 1.087,58 14.913,59 6.249,60 8.522,61 8.493,62 0.295,63 1.805,64 29.253,65 10.192,66 26.355,67 14.408,68 0.489,69 2.183,70 38.855,71 13.399,72 43.916,73 19.093,74 0.439,75 2.27,76 42.287,77 15.902,78 45.009,79 22.033,80 0.696,81 2.315,82 46.855,83 16.322,84 71.309,85 23.19,86 0.344,87 2.218,88 43.341,89 15.527,90 40.979,91 22.654,92 0.455,93 2.03,94 41.832,95 14.08,96 44.355,97 20.258,98 0.47,99 1.78,100 37.119,101 13.027,102 39.461,103 18.51,104 5,105 64,106 0.231,107 0.577,108 0.763,109 0.85,110 0.859,111 0.859,112 3.668,113 0.927,114 -4.07,115 -4.01,116 -3.8,119 42.9,120 1,121 3,125 6,127 1,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 9,171 1,172 9,174 1,176 2,178 8,181 3,182 10,184 1,189 6,192 3,193 10,195 1,199 6,202 2,203 8,206 1,211 2,214 1,215 10,220 1,222 1,225 1,226 7,231 2,233 2,236 2,237 3,242 2,244 6,248 1,249 3,256 10,259 2772,260 26.394,261 26.394,262 26.394,263 26.394,264 26.394,265 23.704,266 34.223,267 15.252,268 26.973,269 21.739,270 21.739,271 21.739,272 21.739,273 21.739,274 17.534,275 44.203,276 7.224,277 22.691,278 4.639,279 2.404,280 1.2,281 0.639,282 0.582,283 0.582,284 4.391,289 1,290 1411,291 3.536,292 62.652,294 78.63,295 484.55,298 132.964,299 320.308,302 2.482,303 28.268,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 81,315 614,316 4.632,317 3.656,318 6.922,319 4.237,320 3.288,321 4.474,322 1.151,323 11.652,324 3.119,325 4.551,326 3.406,327 6.695,328 4.108,329 3.139,330 4.348,331 1.058,332 10.856,333 3.046,334 4.253,335 3.28,336 6.447,337 3.89,338 2.912,339 3.86,340 0.8,341 9.94,342 2.842,343 3.857,344 2.926,345 5.82,346 3.633,347 2.669,348 3.249,349 0.8,350 8.009,351 2.58,352 3.785,353 2.836,354 5.805,355 3.576,356 2.633,357 3.025,359 7.942,360 2.47,361 3.558,362 2.666,363 5.496,364 3.339,365 2.391,366 2.735,368 7.23,369 2.275,370 3.499,371 2.627,372 5.325,373 3.228,374 2.26,375 2.638,377 6.856,378 2.172,379 3.332,380 2.294,381 5.014,382 2.999,383 2.038,384 2.486,386 5.736,387 1.953,388 3.133,389 2.255,390 4.959,391 2.779,392 1.792,393 2.287,395 5.377,396 1.762,397 3.027,398 2.077,399 4.562,400 2.581,401 1.627,402 2.235,404 4.502,405 1.561,406 2.938,407 1.651,408 4.453,409 2.528,410 1.582,411 2.098,413 4.223,414 1.476,415 2.778,416 1.479,417 4.036,418 2.399,419 1.418,420 1.847,422 3.464,423 1.387,424 2.689,425 1.448,426 3.971,427 2.275,428 1.313,429 1.75,431 3.109,432 1.255,433 2.481,434 1.375,435 3.857,436 2.014,437 1.076,438 1.431,440 2.924,441 1.003,442 2.258,443 1.146,444 3.414,445 1.967,446 1,447 1.169,449 2.275,450 0.965,451 18.067,452 0.475,453 0.88,454 0.023,455 49,456 1.289,457 22.5,458 0.592,459 26.5,460 0.697,461 35.851,462 0.943,463 40.133,464 0.573,465 37.421,466 0.985,467 9.302,468 0.245,469 9.334,470 0.246,471 0.046,473 0.371,479 0.819,480 1.437,481 0.777,482 1.122,483 0.582,484 0.969,485 1.099,486 1.177,487 0.921,488 0.965,489 0.629,490 0.918,491 1.031,492 0.923,493 0.951,494 0.894,495 0.813,496 0.897,497 1.023,498 1.125,499 1.022,500 1.154,501 1.041,502 1.107,503 1.135,504 0.974,505 1.084,506 0.979,507 1.387,508 1.025,509 0.795,510 1.077,511 1.005,512 1.087,513 0.633,514 1.07,515 1.216,516 0.991,517 1.116,518 1.031,519 0.869,520 1.054,521 1.159,522 0.929,523 1.083,524 0.981,525 0.871,526 1.025,527 6.5,528 0.197,529 4.944,530 2.438,531 2.317,532 1.177,533 0.776,534 0.51,535 0.319,536 0.243,537 28398,538 62543,539 2.239,540 45.7,542 21,544 1,545 1,546 3,547 6,550 1.782,551 2.151,552 3.922,553 -0.4,559 104.333,560 1.49,561 3.726,562 4.93,563 5.49,564 5.547,565 5.547,566 3.387,567 4.86,568 5.219,569 4.127,570 2901.26,571 9.158,572 49930.6,577 429.05,578 1.211,579 5.203,580 0.148,581 0.006,582 0.081,583 0.037,584 0.037,585 0.021,586 0.016,587 0.012,588 0.008,589 0.007,590 0.372,591 0.33,592 0.75,593 0.362,594 214.31,595 -0.005,596 -0.252,597 0.089,598 -0.081,599 0.012,600 -0.001,601 -0.031,602 -0.046,603 0.025,604 0.006,605 0.067,606 0.021,607 0.017,608 0.15,609 0.019,610 0.073,611 0.056,612 0.056,613 0.063,614 -0.123,615 -0.054,616 -0.148,617 0.02,618 -0.124,619 -0.001,620 -0.006,621 -0.084,622 0.005,623 -0.088,624 -0.044,625 -0.008,626 -0.1,627 -0.03,628 -0.099,629 -0.017,630 -0.071,631 -0.121,632 -0.025,633 -0.106,634 -0.066,635 -0.074,636 -0.079,637 -0.071,638 0.013,639 -0.077,640 0.005,641 -0.055,642 -0.034,643 1.765,644 5.622,645 0.842,646 49.784,647 0.996,648 1.126,649 2.835,650 8.038,651 0.669,652 3.807,653 4.174,654 4.489,655 4.804,656 5.075,657 5.204,658 5.398,659 5.568,660 5.677,661 5.768,662 9.187,663 0.634,664 508.68,665 3.807,666 5.38,667 6.267,668 7.171,669 8.07,670 8.977,671 9.881,672 10.791,673 11.697,674 12.608,675 8.6,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,702 1,709 1,712 1,714 70,716 23,717 2,718 44,720 76,721 30,722 18,723 6,724 6,725 1,730 7,731 11,736 1,740 3,743 4,745 19,746 11,750 1,755 1,759 1,764 32,765 7,766 1,767 8,770 1,773 6,777 0.571,778 2,786 1,790 1,792 1,793 5,796 1,797 2,815 1,819 4,823 1,827 38,833 9,834 1,835 1,837 1,838 2,847 2.9,850 1,852 1,854 17.667,855 12.917,856 8.083,857 4.51,858 4.648,859 1.49,860 1.043,861 6.155,862 14.132,863 4.043,864 4.666,865 5.284,866 5.9,867 6.437,868 6.774,869 7.179,870 7.566,871 7.87,872 7.984,873 0.909,874 66,875 14.13,877 6.213,878 7.513,879 27.852,881 24.241,883 2.013,884 76.5,888 364.904,889 147.613,890 59.73,892 36.145,895 147.613,896 401.049,897 59.73,898 8.825,899 40.735,900 75.81,901 83.81,902 43.321,903 2.757,904 353.133,906 364.904,907 207.342,908 36.145,911 294.278,912 106.771,915 70.86,916 102.911,917 33.571,919 364.904,920 95.874,921 147.613,924 364.904,925 54.359,926 101.401,927 18.011,928 69.716,929 364.904,930 95.874,931 147.613,933 0.591,934 0.345,935 0.194,936 0.107,937 35,938 14,939 0.079,940 6,941 3,942 1.188,943 5.019,944 391.233,945 0.188,946 32,947 191.421,951 23.84,952 9.81,953 4.742,954 2.294,955 93.975,956 18.76,957 9.144,961 6.696,962 2.017,963 18.011,964 608.391,965 56,970 12.622,974 -0.099,975 69.752,976 78.806,977 0.243,978 0.608,979 0.804,980 0.896,981 0.905,982 0.905,983 5.316,984 2.038,985 6.26,986 6.856,987 4.86,988 5.354,989 2.055,990 7.114,991 4.777,992 6.527,993 1.792,994 7.843,995 5.736,996 4.511,997 5.223,998 0.57,999 8.116,1000 4.397,1001 7.848,1002 1.627,1003 9.526,1004 5.377,1005 6.506,1006 7.576,1007 2.072,1008 11.228,1009 6.341,1010 9.203,1011 1.582,1012 11.27,1013 4.502,1014 6.967,1015 8.297,1016 0.479,1017 13.06,1018 6.768,1019 10.593,1020 1.418,1021 13.052,1022 4.223,1023 8.439,1024 10.134,1025 2.197,1026 15.708,1027 8.194,1028 12.008,1029 1.313,1030 14.862,1031 3.464,1032 9.27,1033 11.256,1034 0.346,1035 17.878,1036 8.987,1037 13.442,1038 1.076,1039 16.691,1040 3.109,1041 10.539,1042 12.886,1043 2.364,1044 20.376,1045 10.213,1046 3.288,1047 1,1048 18.536,1049 2.924,1050 11.544,1051 14.198,1052 0.237,1053 22.689,1054 11.176,1055 3.139,1056 11.652,1057 20.393,1058 2.275,1059 12.735,1060 15.739,1061 2.556,1062 25.137,1063 12.324,1064 2.912,1065 10.856,1066 22.259,1067 4.474,1068 13.821,1069 17.14,1070 0.158,1071 27.512,1072 13.367,1073 2.669,1074 9.94,1075 24.134,1076 4.348,1077 14.985,1078 18.645,1079 2.765,1080 29.945,1081 14.488,1082 2.633,1083 8.009,1084 26.015,1085 3.86,1086 16.11,1087 20.088,1088 0.104,1089 32.35,1090 15.567,1091 2.391,1092 7.942,1093 27.902,1094 3.249,1095 17.269,1096 21.578,1097 2.986,1098 34.779,1099 16.681,1100 2.26,1101 7.23,1102 29.794,1103 3.025,1104 18.414,1105 23.041,1106 0.068,1107 37.199,1108 17.779,1109 25158,1110 37544,1111 30.63,1112 46.841,1113 67.252,1114 68.441,1115 68.609,1116 66.76,1117 66.764,1118 84.565,1119 7.618,1120 199.126,1121 64.011,1122 5.632,1123 5.656,1124 6.452,1125 5.346,1126 5.288,1127 7.474,1128 2.302,1129 19.291,1130 5.119,1131 12.444,1132 1.528,1133 1.555,1134 1.559,1135 1.517,1136 1.517,1137 1.922,1138 0.173,1139 4.526,1140 1.455,1141 4.121,1142 4.157,1143 4.082,1144 4.022,1145 7.429,1146 4.029,1147 4.066,1148 4.098,1149 4.033,1150 3.954,1151 5.006,1152 3.97,1153 3.89,1154 3.944,1155 3.791,1156 3.763,1157 4.969,1158 3.761,1159 3.814,1160 3.882,1161 3.712,1162 3.648,1163 4.648,1164 3.659,1165 3.714,1166 3.76,1167 3.634,1168 3.572,1169 4.441,1170 3.581,1171 3.515,1172 3.568,1173 3.412,1174 3.413,1175 4.342,1176 3.405,1177 3.336,1178 3.406,1179 3.202,1180 3.186,1181 4.301,1182 3.176,1183 3.208,1184 3.241,1185 3.12,1186 2.953,1187 4.276,1188 2.985,1189 0.105,1190 0.083,1191 0.157,1192 0.096,1193 0.075,1194 4.632,1195 0.102,1196 3.656,1197 0.026,1198 6.922,1199 0.265,1200 4.237,1201 0.071,1202 3.288,1203 4.474,1204 1.151,1205 11.652,1206 3.119,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.079,1217 1.253,1218 2.07,1219 1.748,1220 1.68,1221 1.94,1222 1.96,1223 1.167,1224 1.959,1225 1.589,1226 1.557,1227 1.739,1228 1.778,1229 0.98,1230 1.754,1231 1.522,1232 1.474,1233 1.704,1234 1.682,1235 0.837,1236 1.694,1237 1.411,1238 1.348,1239 1.62,1240 1.628,1241 0.825,1242 1.634,1243 1.296,1244 1.231,1245 1.524,1246 1.5,1247 0.825,1248 1.521,1249 1.168,1250 1.091,1251 1.513,1252 1.428,1253 0.806,1254 1.429,1255 4.489,1256 1.946,1257 5.844,1258 3.932,1259 7.401,1260 5.82,1261 9.05,1262 7.681,1263 10.748,1265 2.042,1271 8.416,1272 3.04,1273 6.241,1275 0.304,1276 5.024,1280 44.406,1281 104.333,1282 260.803,1283 345.076,1284 384.295,1285 388.295,1286 388.295,1287 53.585,1288 9.484,1289 75.52,1290 75.52,1291 38,1292 13.124,1293 4.585,1294 3.7,1295 49.024,1296 214,1297 196,1298 0.11,1299 263.344,1300 451.98,1301 634.319,1302 237311,1304 25.639,1305 0.675,1306 0.571,1307 25.639,1308 21.69,1309 18.636,1310 0.424,1311 0.309,1312 13.417,1313 17.96,1314 13.14,1315 10.762,1316 18.636,1317 13.597,1318 17.116,1319 0.267,1320 0.165,1321 17.116,1322 10.587,1323 14.837,1324 0.169,1325 0.087,1326 14.837,1327 7.652,1328 13.039,1329 0.108,1330 0.046,1331 13.039,1332 5.579,1333 10.96,1334 0.069,1335 0.025,1336 10.96,1337 4.019,1338 0.179,1339 116.298,1340 0.181,1341 35.033,1342 0.286,1343 216,1344 544.029,1345 234.885,1346 527.138,1347 747.69,1348 500,1349 263,1350 574.147,1351 284.743,1352 579.598,1353 863.7,1354 549,1355 10.4} {0 CHEMBL1242167,1 1.477,2 16.769,3 4.604,4 21.195,5 151.858,6 7.16,7 0.489,8 4.401,9 4.526,10 3.958,11 3.942,12 5.391,13 3.92,14 4.981,15 5.168,16 4.324,17 4.353,18 5.925,19 4.31,20 5.237,21 5.461,22 4.409,23 4.517,24 6.151,25 4.444,26 5.308,27 5.528,28 4.395,29 4.55,30 6.229,31 4.457,32 5.344,33 5.585,34 4.292,35 4.528,36 6.249,37 4.413,38 5.283,39 5.536,40 4.206,41 4.464,42 6.1,43 4.339,44 5.232,45 5.487,46 4.107,47 4.369,48 6.038,49 4.247,50 5.139,51 5.391,52 3.989,53 4.29,54 5.925,55 4.156,56 0.036,57 1.126,58 15.864,59 6.588,60 8.746,61 9.046,62 0.306,63 1.885,64 31.078,65 10.886,66 27.017,67 15.528,68 0.508,69 2.301,70 41.911,71 14.397,72 45.428,73 20.772,74 0.483,75 2.362,76 45.151,77 16.6,78 47.402,79 23.317,80 0.704,81 2.372,82 48.374,83 16.795,84 71.152,85 23.961,86 0.385,87 2.285,88 44.989,89 15.898,90 46.295,91 23.197,92 0.474,93 2.126,94 43.435,95 14.457,96 45.285,97 20.974,98 0.489,99 1.901,100 39.63,101 13.84,102 39.722,103 19.742,104 5,105 65,106 0.227,107 0.566,108 0.759,109 0.853,110 0.861,111 0.861,112 3.693,113 0.94,114 -4.26,115 -4.19,116 -3.96,119 42.5,120 1,121 4,125 6,127 1,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 10,171 1,172 9,174 1,176 2,178 9,181 3,182 10,184 1,186 1,189 6,192 3,193 10,195 1,199 6,202 2,203 9,206 1,211 2,214 1,215 11,220 1,222 1,225 1,226 8,231 2,233 2,236 2,237 4,242 2,244 6,248 1,249 3,256 11,259 3054,260 27.101,261 27.101,262 27.101,263 27.101,264 27.101,265 24.411,266 34.223,267 15.738,268 27.68,269 22.239,270 22.239,271 22.239,272 22.239,273 22.239,274 18.034,275 44.203,276 7.451,277 23.191,278 4.713,279 2.506,280 1.253,281 0.64,282 0.586,283 0.586,284 4.419,289 1,290 1496,291 3.536,293 85.691,294 80.814,295 500.721,298 137.008,299 330.947,302 2.647,303 28.879,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 83,315 654,316 4.632,317 3.654,318 6.922,319 4.236,320 3.288,321 4.474,322 1.151,323 11.652,324 3.119,325 4.551,326 3.405,327 6.695,328 4.108,329 3.139,330 4.348,331 1.058,332 10.856,333 3.046,334 4.252,335 3.28,336 6.446,337 3.883,338 2.906,339 3.86,340 0.8,341 9.938,342 2.836,343 3.856,344 2.924,345 5.814,346 3.593,347 2.651,348 3.249,349 0.8,350 8.006,351 2.523,352 3.758,353 2.833,354 5.803,355 3.557,356 2.593,357 3.017,359 7.874,360 2.468,361 3.541,362 2.637,363 5.419,364 3.334,365 2.387,366 2.735,368 7.054,369 2.269,370 3.472,371 2.586,372 5.322,373 3.223,374 2.254,375 2.589,377 6.837,378 2.17,379 3.331,380 2.293,381 5.001,382 2.999,383 2.037,384 2.48,386 5.736,387 1.953,388 3.13,389 2.255,390 4.958,391 2.783,392 1.796,393 2.277,395 5.35,396 1.765,397 3.027,398 2.077,399 4.562,400 2.581,401 1.628,402 2.234,404 4.502,405 1.561,406 2.938,407 1.651,408 4.452,409 2.528,410 1.582,411 2.097,413 4.223,414 1.477,415 2.778,416 1.479,417 4.036,418 2.399,419 1.418,420 1.847,422 3.464,423 1.388,424 2.689,425 1.448,426 3.971,427 2.275,428 1.313,429 1.75,431 3.109,432 1.255,433 2.486,434 1.375,435 3.858,436 2.046,437 1.108,438 1.443,440 2.977,441 1.033,442 2.258,443 1.146,444 3.414,445 1.967,446 1,447 1.17,449 2.275,450 0.965,451 18.567,452 0.476,453 0.88,454 0.023,455 49.5,456 1.269,457 22.5,458 0.577,459 27,460 0.692,461 37.944,462 0.973,463 41.433,464 0.568,465 38.034,466 0.975,467 9.302,468 0.239,469 9.834,470 0.252,471 0.045,473 0.361,479 0.819,480 1.44,481 0.793,482 1.132,483 0.582,484 0.984,485 1.084,486 1.178,487 0.927,488 0.977,489 0.622,490 0.93,491 1.014,492 0.956,493 0.958,494 0.922,495 0.794,496 0.92,497 1.039,498 1.091,499 1.006,500 1.109,501 1.037,502 1.068,503 1.177,504 0.98,505 1.072,506 0.979,507 1.494,508 1.014,509 0.919,510 1.089,511 1.027,512 1.078,513 0.896,514 1.065,515 1.257,516 1.002,517 1.121,518 1.022,519 0.897,520 1.046,521 1.216,522 0.962,523 1.117,524 1.019,525 0.879,526 1.058,527 6.5,528 0.205,529 4.778,530 2.722,531 2.348,532 1.247,533 0.811,534 0.537,535 0.331,536 0.259,537 30426,538 65497,539 2.233,540 46.6,541 2,542 21,544 1,545 1,546 3,547 6,550 1.788,551 2.147,552 3.971,553 -0.409,559 107.794,560 1.477,561 3.684,562 4.937,563 5.549,564 5.604,565 5.604,566 3.475,567 5.08,568 5.256,569 4.171,570 3090.73,571 9.233,572 54425.9,577 451.857,578 1.2,579 5.241,580 0.144,581 0.006,582 0.076,583 0.041,584 0.037,585 0.022,586 0.016,587 0.012,588 0.008,589 0.007,590 0.367,591 0.17,592 0.75,593 0.355,594 221.957,595 0.001,596 -0.245,597 0.089,598 -0.078,599 0.019,601 -0.022,602 -0.044,603 0.027,604 0.005,605 0.073,606 0.02,607 0.028,608 0.113,609 0.019,610 0.049,611 0.067,612 0.04,613 0.063,614 -0.087,615 -0.027,616 -0.107,617 0.027,618 -0.085,619 0.005,620 -0.007,621 -0.07,622 0.005,623 -0.085,624 -0.036,625 -0.037,626 -0.103,627 -0.047,628 -0.095,629 -0.063,630 -0.075,631 -0.133,632 -0.017,633 -0.114,634 -0.062,635 -0.088,636 -0.08,637 -0.085,638 -0.007,639 -0.114,640 -0.037,641 -0.063,642 -0.075,643 1.759,644 5.774,645 0.846,646 53.886,647 0.995,648 1.126,649 3.025,650 9.153,651 0.666,652 3.829,653 4.19,654 4.533,655 4.82,656 5.088,657 5.226,658 5.416,659 5.591,660 5.704,661 5.805,662 9.432,663 0.629,664 522.71,665 3.829,666 5.398,667 6.282,668 7.183,669 8.079,670 8.985,671 9.886,672 10.794,673 11.699,674 12.608,675 8.2,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,702 1,709 1,712 1,714 73,716 23,717 2,718 45,720 79,721 31,722 18,723 6,724 6,725 1,730 7,731 11,736 1,740 4,743 5,745 19,746 12,750 1,755 1,759 1,764 34,765 7,766 1,767 8,770 1,773 6,777 0.571,778 2,786 1,791 1,792 1,793 5,796 1,797 2,815 1,819 4,823 1,827 39,833 10,834 1,835 1,837 1,838 2,847 2.7,850 1,852 1,854 18.167,855 13.417,856 8.333,857 4.76,858 4.657,859 1.485,860 1.037,861 6.594,862 14.251,863 4.06,864 4.675,865 5.304,866 5.906,867 6.44,868 6.781,869 7.184,870 7.572,871 7.878,872 7.998,873 1,874 67,875 14.513,877 6.36,878 7.5,879 28.669,881 24.907,883 2,884 78,888 388.446,889 150.147,890 59.73,892 36.145,895 150.147,896 424.591,897 59.73,898 8.825,899 43.27,900 75.81,901 83.81,902 43.321,903 2.757,904 376.675,906 388.446,907 209.877,908 36.145,911 317.82,912 106.771,915 73.395,916 102.911,917 33.571,919 388.446,920 95.874,921 150.147,924 388.446,925 56.894,926 101.401,927 18.011,928 69.716,929 388.446,930 95.874,931 150.147,933 0.589,934 0.356,935 0.194,936 0.106,937 35,938 14,939 0.076,940 6,941 3,942 1.182,943 5.094,944 403.416,945 0.182,946 33,947 198.131,951 24.77,952 10.383,953 4.733,954 2.295,955 93.975,956 18.786,957 9.178,961 6.71,962 2.025,963 18.011,964 634.468,965 57,970 12.774,974 -0.092,975 72.636,976 82.221,977 0.239,978 0.595,979 0.798,980 0.897,981 0.905,982 0.905,983 5.33,984 2.037,985 6.271,986 6.837,987 4.875,988 5.364,989 2.055,990 7.12,991 4.793,992 6.528,993 1.796,994 7.848,995 5.736,996 4.443,997 5.19,998 0.57,999 8.084,1000 4.32,1001 7.846,1002 1.628,1003 9.527,1004 5.35,1005 6.515,1006 7.579,1007 2.072,1008 11.228,1009 6.353,1010 9.198,1011 1.582,1012 11.267,1013 4.502,1014 6.929,1015 8.287,1016 0.479,1017 13.047,1018 6.722,1019 10.587,1020 1.418,1021 13.047,1022 4.223,1023 8.437,1024 10.134,1025 2.197,1026 15.704,1027 8.194,1028 12.001,1029 1.313,1030 14.856,1031 3.464,1032 9.244,1033 11.253,1034 0.346,1035 17.872,1036 8.955,1037 13.435,1038 1.108,1039 16.685,1040 3.109,1041 10.529,1042 12.885,1043 2.364,1044 20.372,1045 10.204,1046 3.288,1047 1,1048 18.53,1049 2.977,1050 11.524,1051 14.196,1052 0.237,1053 22.686,1054 11.152,1055 3.139,1056 11.652,1057 20.387,1058 2.275,1059 12.722,1060 15.739,1061 2.556,1062 25.134,1063 12.312,1064 2.906,1065 10.856,1066 22.254,1067 4.474,1068 13.805,1069 17.14,1070 0.158,1071 27.511,1072 13.347,1073 2.651,1074 9.938,1075 24.129,1076 4.348,1077 14.973,1078 18.645,1079 2.765,1080 29.943,1081 14.474,1082 2.593,1083 8.006,1084 26.011,1085 3.86,1086 16.097,1087 20.088,1088 0.104,1089 32.348,1090 15.551,1091 2.387,1092 7.874,1093 27.898,1094 3.249,1095 17.258,1096 21.578,1097 2.986,1098 34.778,1099 16.667,1100 2.254,1101 7.054,1102 29.79,1103 3.017,1104 18.403,1105 23.041,1106 0.068,1107 37.198,1108 17.765,1109 27062,1110 39911,1111 31.323,1112 48.603,1113 68.263,1114 69.036,1115 69.486,1116 67.78,1117 67.732,1118 85.56,1119 7.618,1120 200.939,1121 64.966,1122 5.632,1123 5.654,1124 6.54,1125 5.346,1126 5.288,1127 7.474,1128 2.302,1129 19.29,1130 5.119,1131 12.631,1132 1.517,1133 1.534,1134 1.544,1135 1.506,1136 1.505,1137 1.901,1138 0.169,1139 4.465,1140 1.444,1141 4.121,1142 4.157,1143 4.082,1144 4.022,1145 7.429,1146 4.03,1147 4.065,1148 4.098,1149 4.033,1150 3.953,1151 5.006,1152 3.969,1153 3.881,1154 3.937,1155 3.78,1156 3.757,1157 4.969,1158 3.752,1159 3.816,1160 3.883,1161 3.711,1162 3.651,1163 4.648,1164 3.662,1165 3.717,1166 3.763,1167 3.635,1168 3.574,1169 4.441,1170 3.582,1171 3.515,1172 3.569,1173 3.412,1174 3.413,1175 4.328,1176 3.405,1177 3.339,1178 3.408,1179 3.214,1180 3.186,1181 4.3,1182 3.177,1183 3.234,1184 3.275,1185 3.136,1186 2.967,1187 4.276,1188 3.009,1189 0.103,1190 0.081,1191 0.154,1192 0.094,1193 0.073,1194 4.632,1195 0.099,1196 3.654,1197 0.026,1198 6.922,1199 0.259,1200 4.236,1201 0.069,1202 3.288,1203 4.474,1204 1.151,1205 11.652,1206 3.119,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.476,1212 2.144,1213 1.959,1214 1.935,1215 2.089,1216 2.081,1217 1.36,1218 2.074,1219 1.876,1220 1.821,1221 2.055,1222 2.037,1223 1.253,1224 2.054,1225 1.748,1226 1.679,1227 1.94,1228 1.959,1229 1.167,1230 1.958,1231 1.562,1232 1.528,1233 1.738,1234 1.725,1235 0.977,1236 1.724,1237 1.518,1238 1.471,1239 1.693,1240 1.667,1241 0.825,1242 1.68,1243 1.388,1244 1.327,1245 1.602,1246 1.612,1247 0.815,1248 1.603,1249 1.273,1250 1.209,1251 1.513,1252 1.489,1253 0.786,1254 1.501,1255 4.511,1257 5.883,1258 2.398,1259 7.445,1260 4.727,1261 9.092,1262 6.862,1263 10.786,1265 2.042,1271 9.599,1272 3.103,1273 6.266,1275 0.286,1276 5.028,1280 45.933,1281 107.794,1282 268.924,1283 360.373,1284 405.102,1285 409.102,1286 409.102,1287 56.318,1288 9.594,1289 75.52,1290 75.52,1291 39,1292 13.125,1293 4.585,1294 3.7,1295 50.886,1296 224,1297 218,1298 0.109,1299 272.936,1300 469.28,1301 657.724,1302 272552,1304 26.346,1305 0.676,1306 0.574,1307 26.346,1308 22.397,1309 19.136,1310 0.425,1311 0.313,1312 13.917,1313 18.46,1314 13.63,1315 11.179,1316 19.136,1317 14.097,1318 17.47,1319 0.269,1320 0.168,1321 17.47,1322 10.94,1323 15.653,1324 0.17,1325 0.092,1326 15.653,1327 8.469,1328 13.328,1329 0.108,1330 0.047,1331 13.328,1332 5.784,1333 11.127,1334 0.069,1335 0.026,1336 11.127,1337 4.121,1338 0.177,1339 119.298,1340 0.179,1341 35.819,1342 0.281,1343 220,1344 548.029,1345 238.885,1346 531.3,1347 753.45,1348 504,1349 267,1350 578.147,1351 288.743,1352 583.759,1353 869.45,1354 553,1355 10} {0 CHEMBL1242257,1 1.463,2 16.9,3 5.06,4 25.604,5 156.459,6 7.062,7 0.478,8 4.436,9 4.562,10 3.98,11 3.976,12 5.414,13 3.95,14 5.032,15 5.22,16 4.367,17 4.412,18 5.96,19 4.364,20 5.314,21 5.544,22 4.435,23 4.574,24 6.201,25 4.489,26 5.37,27 5.604,28 4.412,29 4.584,30 6.266,31 4.484,32 5.372,33 5.613,34 4.326,35 4.555,36 6.284,37 4.441,38 5.316,39 5.566,40 4.244,41 4.495,42 6.153,43 4.373,44 5.27,45 5.523,46 4.163,47 4.417,48 6.079,49 4.298,50 5.202,51 5.451,52 4.045,53 4.351,54 5.985,55 4.216,56 0.043,57 1.165,58 16.804,59 6.927,60 8.935,61 9.596,62 0.317,63 1.981,64 33.059,65 11.696,66 27.564,67 16.784,68 0.529,69 2.459,70 45.734,71 15.759,72 46.711,73 22.959,74 0.535,75 2.478,76 48.915,77 17.597,78 50.673,79 25.084,80 0.712,81 2.428,82 49.884,83 17.268,84 70.865,85 24.724,86 0.424,87 2.352,88 46.654,89 16.269,90 51.345,91 23.754,92 0.494,93 2.221,94 45.076,95 14.841,96 46.204,97 21.71,98 0.51,99 2.023,100 42.179,101 14.655,102 39.913,103 20.987,104 5,105 66,106 0.223,107 0.555,108 0.749,109 0.843,110 0.851,111 0.851,112 3.717,113 0.952,114 -4.44,115 -4.37,116 -4.12,119 42.1,120 1,121 5,125 6,127 1,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 11,171 1,172 9,174 1,176 2,178 11,181 3,182 10,184 1,186 2,189 6,192 3,193 10,195 1,199 6,202 2,203 10,206 1,211 2,214 1,215 12,220 1,222 1,225 1,226 9,231 2,233 2,236 2,237 5,242 2,244 6,248 1,249 3,256 12,259 3320,260 27.808,261 27.808,262 27.808,263 27.808,264 27.808,265 25.119,266 34.223,267 16.238,268 28.387,269 22.739,270 22.739,271 22.739,272 22.739,273 22.739,274 18.534,275 44.203,276 7.699,277 23.691,278 4.785,279 2.61,280 1.342,281 0.72,282 0.668,283 0.668,284 4.445,289 1,290 1540,291 3.536,294 187.483,295 515.465,298 140.394,299 340.635,302 2.705,303 29.491,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 85,315 676,316 4.632,317 3.654,318 6.922,319 4.236,320 3.288,321 4.474,322 1.151,323 11.652,324 3.119,325 4.551,326 3.405,327 6.695,328 4.108,329 3.139,330 4.348,331 1.058,332 10.856,333 3.046,334 4.252,335 3.28,336 6.446,337 3.881,338 2.903,339 3.86,340 0.8,341 9.938,342 2.835,343 3.856,344 2.923,345 5.813,346 3.588,347 2.649,348 3.249,349 0.8,350 8.006,351 2.498,352 3.749,353 2.832,354 5.802,355 3.534,356 2.567,357 3.015,359 7.859,360 2.463,361 3.536,362 2.635,363 5.394,364 3.331,365 2.385,366 2.735,368 7,369 2.265,370 3.451,371 2.55,372 5.319,373 3.219,374 2.248,375 2.568,377 6.82,378 2.168,379 3.33,380 2.293,381 4.994,382 2.999,383 2.037,384 2.474,386 5.736,387 1.953,388 3.127,389 2.255,390 4.958,391 2.787,392 1.8,393 2.269,395 5.334,396 1.769,397 3.027,398 2.077,399 4.562,400 2.581,401 1.628,402 2.231,404 4.502,405 1.561,406 2.939,407 1.651,408 4.451,409 2.529,410 1.583,411 2.097,413 4.223,414 1.477,415 2.778,416 1.479,417 4.036,418 2.4,419 1.419,420 1.847,422 3.465,423 1.388,424 2.689,425 1.448,426 3.972,427 2.276,428 1.314,429 1.75,431 3.111,432 1.256,433 2.497,434 1.375,435 3.858,436 2.194,437 1.23,438 1.466,440 3.068,441 1.184,442 2.259,443 1.318,444 3.414,445 1.967,446 1,447 1.176,449 2.29,450 0.965,451 19.067,452 0.477,453 0.88,454 0.022,455 50,456 1.25,457 22.5,458 0.563,459 27.5,460 0.688,461 40.287,462 1.007,463 42.733,464 0.562,465 38.647,466 0.966,467 9.302,468 0.233,469 10.334,470 0.258,471 0.044,473 0.351,479 0.819,480 1.442,481 0.809,482 1.142,483 0.582,484 0.998,485 1.064,486 1.172,487 0.926,488 0.982,489 0.612,490 0.936,491 0.985,492 1,493 0.98,494 0.97,495 0.765,496 0.964,497 1.036,498 1.039,499 0.973,500 1.049,501 1.015,502 1.014,503 1.219,504 0.985,505 1.062,506 0.978,507 1.6,508 1.004,509 1.042,510 1.1,511 1.048,512 1.07,513 1.159,514 1.06,515 1.299,516 1.013,517 1.126,518 1.014,519 0.926,520 1.038,521 1.273,522 0.992,523 1.148,524 1.053,525 0.887,526 1.087,527 6.5,528 0.213,529 4.889,530 2.632,531 2.352,532 1.288,533 0.831,534 0.55,535 0.344,536 0.274,537 32462,538 68459,539 2.226,540 47.4,541 4,542 21,544 1,545 1,546 3,547 6,550 1.794,551 2.143,552 3.988,553 -0.417,559 111.215,560 1.463,561 3.638,562 4.906,563 5.527,564 5.58,565 5.58,566 3.488,567 5.003,568 5.292,569 4.203,570 3278.35,571 9.305,572 58995.4,577 474.842,578 1.188,579 5.278,580 0.141,581 0.005,582 0.074,583 0.039,584 0.036,585 0.022,586 0.015,587 0.011,588 0.008,589 0.007,590 0.359,591 0.17,592 0.75,593 0.349,594 229.54,595 0.006,596 -0.239,597 0.088,598 -0.075,599 0.024,600 0.001,601 -0.013,602 -0.033,603 0.033,604 0.012,605 0.077,606 0.026,607 0.037,608 0.062,610 0.004,611 0.075,612 0.003,613 0.069,614 -0.044,615 0.016,616 -0.054,617 0.04,618 -0.031,619 0.012,620 -0.008,621 -0.056,622 0.006,623 -0.08,624 -0.029,625 -0.063,626 -0.105,627 -0.062,628 -0.09,629 -0.105,630 -0.079,631 -0.144,632 -0.01,633 -0.119,634 -0.058,635 -0.101,636 -0.079,637 -0.096,638 -0.024,639 -0.144,640 -0.074,641 -0.071,642 -0.111,643 1.752,644 5.927,645 0.85,646 57.25,647 0.994,648 1.127,649 3.213,650 10.324,651 0.663,652 3.85,653 4.205,654 4.543,655 4.86,656 5.1,657 5.236,658 5.434,659 5.606,660 5.724,661 5.829,662 9.642,663 0.624,664 536.74,665 3.85,666 5.416,667 6.297,668 7.195,669 8.089,670 8.992,671 9.892,672 10.798,673 11.702,674 12.61,675 7.9,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,702 1,709 1,712 1,714 76,716 23,717 2,718 46,720 82,721 32,722 18,723 6,724 6,725 1,730 7,731 11,736 1,740 5,743 6,745 19,746 13,750 1,755 1,759 1,764 36,765 7,766 1,767 8,770 1,773 6,777 0.571,778 2,786 1,792 2,793 5,796 1,797 2,815 1,819 4,823 1,827 40,833 11,834 1,835 1,837 1,838 2,847 2.6,850 1,852 1,854 18.667,855 13.917,856 8.583,857 5.01,858 4.665,859 1.481,860 1.031,861 7.046,862 14.357,863 4.078,864 4.684,865 5.309,866 5.919,867 6.444,868 6.784,869 7.188,870 7.575,871 7.883,872 8.005,873 1,874 68,875 14.895,877 6.507,878 7.488,879 29.485,881 25.574,883 1.988,884 79.5,888 411.989,889 152.682,890 59.73,892 36.145,895 152.682,896 448.133,897 59.73,898 8.825,899 45.804,900 75.81,901 83.81,902 43.321,903 2.757,904 400.217,906 411.989,907 212.411,908 36.145,911 341.362,912 106.771,915 75.929,916 102.911,917 33.571,919 411.989,920 95.874,921 152.682,924 411.989,925 59.428,926 101.401,927 18.011,928 69.716,929 411.989,930 95.874,931 152.682,933 0.586,934 0.353,935 0.201,936 0.106,937 35,938 14,939 0.073,940 6,941 3,942 1.176,943 5.151,944 416.615,945 0.176,946 34,947 202.877,951 25.703,952 10.966,953 5.061,954 2.295,955 93.975,956 18.813,957 9.212,961 6.724,962 2.033,963 18.011,964 660.545,965 58,970 12.927,974 -0.085,975 75.519,976 85.637,977 0.234,978 0.582,979 0.785,980 0.885,981 0.893,982 0.893,983 5.345,984 2.037,985 6.282,986 6.82,987 4.89,988 5.373,989 2.055,990 7.127,991 4.81,992 6.539,993 1.8,994 7.856,995 5.736,996 4.443,997 5.19,998 0.57,999 8.084,1000 4.32,1001 7.85,1002 1.628,1003 9.531,1004 5.334,1005 6.512,1006 7.578,1007 2.072,1008 11.225,1009 6.349,1010 9.2,1011 1.583,1012 11.269,1013 4.502,1014 6.929,1015 8.287,1016 0.479,1017 13.046,1018 6.723,1019 10.586,1020 1.419,1021 13.048,1022 4.223,1023 8.428,1024 10.132,1025 2.197,1026 15.702,1027 8.183,1028 11.999,1029 1.314,1030 14.855,1031 3.465,1032 9.242,1033 11.253,1034 0.346,1035 17.871,1036 8.954,1037 13.432,1038 1.23,1039 16.684,1040 3.111,1041 10.521,1042 12.884,1043 2.364,1044 20.371,1045 10.193,1046 3.288,1047 1,1048 18.528,1049 3.068,1050 11.52,1051 14.196,1052 0.237,1053 22.685,1054 11.148,1055 3.139,1056 11.652,1057 20.385,1058 2.29,1059 12.715,1060 15.738,1061 2.556,1062 25.134,1063 12.302,1064 2.903,1065 10.856,1066 22.252,1067 4.474,1068 13.8,1069 17.139,1070 0.158,1071 27.51,1072 13.342,1073 2.649,1074 9.938,1075 24.127,1076 4.348,1077 14.967,1078 18.645,1079 2.765,1080 29.943,1081 14.466,1082 2.567,1083 8.006,1084 26.009,1085 3.86,1086 16.093,1087 20.087,1088 0.104,1089 32.348,1090 15.546,1091 2.385,1092 7.859,1093 27.897,1094 3.249,1095 17.253,1096 21.578,1097 2.986,1098 34.778,1099 16.661,1100 2.248,1101 7,1102 29.789,1103 3.015,1104 18.399,1105 23.041,1106 0.068,1107 37.198,1108 17.76,1109 28974,1110 42286,1111 32.016,1112 50.364,1113 69.893,1114 70.692,1115 70.923,1116 69.764,1117 69.741,1118 87.565,1119 7.618,1120 205.214,1121 66.978,1122 5.632,1123 5.654,1124 6.537,1125 5.346,1126 5.288,1127 7.474,1128 2.302,1129 19.29,1130 5.119,1131 12.816,1132 1.519,1133 1.537,1134 1.542,1135 1.517,1136 1.516,1137 1.904,1138 0.166,1139 4.461,1140 1.456,1141 4.121,1142 4.157,1143 4.082,1144 4.022,1145 7.429,1146 4.03,1147 4.065,1148 4.097,1149 4.032,1150 3.953,1151 5.006,1152 3.969,1153 3.876,1154 3.932,1155 3.773,1156 3.754,1157 4.969,1158 3.747,1159 3.817,1160 3.884,1161 3.71,1162 3.654,1163 4.648,1164 3.665,1165 3.72,1166 3.765,1167 3.637,1168 3.574,1169 4.441,1170 3.583,1171 3.516,1172 3.569,1173 3.412,1174 3.413,1175 4.321,1176 3.405,1177 3.346,1178 3.413,1179 3.231,1180 3.188,1181 4.299,1182 3.179,1183 3.264,1184 3.319,1185 3.149,1186 3.005,1187 4.275,1188 3.042,1189 0.101,1190 0.079,1191 0.15,1192 0.092,1193 0.071,1194 4.632,1195 0.097,1196 3.654,1197 0.025,1198 6.922,1199 0.253,1200 4.236,1201 0.068,1202 3.288,1203 4.474,1204 1.151,1205 11.652,1206 3.119,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.079,1217 1.253,1218 2.071,1219 1.749,1220 1.681,1221 1.941,1222 1.96,1223 1.211,1224 1.959,1225 1.66,1226 1.612,1227 1.86,1228 1.862,1229 1.209,1230 1.856,1231 1.577,1232 1.507,1233 1.851,1234 1.751,1235 1.166,1236 1.793,1237 1.534,1238 1.484,1239 1.737,1240 1.699,1241 0.975,1242 1.711,1243 1.502,1244 1.455,1245 1.687,1246 1.648,1247 0.825,1248 1.669,1249 1.373,1250 1.312,1251 1.596,1252 1.583,1253 0.814,1254 1.58,1255 4.533,1257 5.878,1258 3.045,1259 7.421,1260 5.283,1261 9.059,1262 7.298,1263 10.749,1265 2.043,1271 10.783,1272 3.165,1273 6.291,1275 0.267,1276 5.032,1280 47.46,1281 111.215,1282 276.492,1283 372.868,1284 420.088,1285 424.088,1286 424.088,1287 59.135,1288 9.692,1289 75.52,1290 75.52,1291 40,1292 13.128,1293 4.585,1294 3.7,1295 52.781,1296 234,1297 220,1298 0.108,1299 282.529,1300 486.58,1301 681.13,1302 309316,1304 27.053,1305 0.676,1306 0.578,1307 27.053,1308 23.104,1309 19.636,1310 0.427,1311 0.317,1312 14.417,1313 18.96,1314 14.121,1315 11.596,1316 19.636,1317 14.597,1318 17.823,1319 0.27,1320 0.171,1321 17.823,1322 11.294,1323 15.903,1324 0.171,1325 0.094,1326 15.903,1327 8.719,1328 14.049,1329 0.11,1330 0.051,1331 14.049,1332 6.505,1333 11.331,1334 0.07,1335 0.026,1336 11.331,1337 4.266,1338 0.175,1339 122.298,1340 0.177,1341 36.574,1342 0.278,1343 224,1344 552.029,1345 242.885,1346 535.462,1347 759.21,1348 508,1349 271,1350 582.147,1351 292.743,1352 587.921,1353 875.21,1354 557,1355 9.801} {0 CHEMBL1242345,1 1.477,2 16.795,3 4.478,4 20.053,5 151.988,6 7.16,7 0.489,8 4.401,9 4.526,10 3.958,11 3.942,12 5.391,13 3.92,14 4.974,15 5.163,16 4.308,17 4.343,18 5.917,19 4.299,20 5.221,21 5.441,22 4.409,23 4.508,24 6.142,25 4.436,26 5.309,27 5.531,28 4.382,29 4.547,30 6.225,31 4.452,32 5.341,33 5.585,34 4.291,35 4.527,36 6.23,37 4.41,38 5.285,39 5.537,40 4.193,41 4.455,42 6.118,43 4.329,44 5.221,45 5.479,46 4.113,47 4.359,48 6.029,49 4.242,50 5.118,51 5.358,52 4.001,53 4.295,54 5.917,55 4.164,56 0.036,57 1.126,58 15.864,59 6.588,60 8.591,61 9.046,62 0.314,63 1.867,64 30.933,65 10.788,66 27.704,67 15.392,68 0.48,69 2.269,70 41.047,71 14.278,72 42.694,73 20.542,74 0.514,75 2.368,76 45.345,77 16.437,78 51.425,79 23.142,80 0.666,81 2.368,82 48.127,83 16.845,84 63.988,85 24.166,86 0.403,87 2.266,88 45.202,89 15.979,90 49.797,91 23.163,92 0.489,93 2.103,94 43.162,95 14.232,96 47.845,97 20.7,98 0.432,99 1.905,100 38.098,101 13.482,102 35.159,103 19.246,104 5,105 65,106 0.227,107 0.564,108 0.754,109 0.853,110 0.861,111 0.861,112 3.693,113 0.938,114 -4.26,115 -4.19,116 -3.96,119 42.5,120 1,121 3,122 1,125 7,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 11,171 1,172 9,174 1,176 1,178 8,181 3,182 10,184 1,186 2,189 6,192 3,193 9,195 1,199 6,202 2,203 9,206 1,211 2,214 1,215 11,220 1,222 1,225 1,226 8,231 2,233 2,236 2,237 5,242 2,244 5,248 1,249 3,256 10,259 3085,260 27.101,261 27.101,262 27.101,263 27.101,264 27.101,265 24.411,266 32.642,267 15.701,268 27.679,269 22.222,270 22.222,271 22.222,272 22.222,273 22.222,274 18.007,275 39.203,276 7.429,277 23.158,278 4.713,279 2.522,280 1.285,281 0.64,282 0.586,283 0.586,284 4.416,289 1,290 1499,291 3.674,292 67.485,294 81.456,295 502.778,298 138.006,299 332.333,302 2.672,303 28.533,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 83,315 655,316 4.631,317 3.646,318 6.922,319 4.235,320 3.287,321 4.474,322 1.151,323 11.649,324 3.117,325 4.551,326 3.399,327 6.695,328 4.108,329 3.139,330 4.348,331 1.058,332 10.856,333 3.046,334 4.249,335 3.28,336 6.442,337 3.872,338 2.893,339 3.859,340 0.8,341 9.919,342 2.827,343 3.856,344 2.92,345 5.809,346 3.652,347 2.663,348 3.249,349 0.8,350 8.004,351 2.64,352 3.731,353 2.829,354 5.784,355 3.581,356 2.641,357 2.997,359 7.718,360 2.473,361 3.616,362 2.661,363 5.492,364 3.364,365 2.408,366 2.735,368 7.364,369 2.305,370 3.522,371 2.631,372 5.328,373 3.258,374 2.302,375 2.653,377 6.871,378 2.188,379 3.336,380 2.295,381 5.058,382 3.001,383 2.039,384 2.499,386 5.739,387 1.956,388 3.173,389 2.255,390 4.96,391 2.82,392 1.84,393 2.347,395 5.513,396 1.797,397 3.028,398 2.078,399 4.562,400 2.581,401 1.63,402 2.241,404 4.503,405 1.561,406 2.94,407 1.651,408 4.461,409 2.531,410 1.585,411 2.101,413 4.227,414 1.478,415 2.779,416 1.479,417 4.036,418 2.4,419 1.419,420 1.848,422 3.465,423 1.389,424 2.69,425 1.448,426 4.027,427 2.276,428 1.314,429 1.751,431 3.166,432 1.256,433 2.512,434 1.375,435 3.863,436 2.097,437 1.168,438 1.491,440 3.105,441 1.081,442 2.259,443 1.297,444 3.414,445 1.967,446 1,447 1.172,449 2.275,450 0.965,451 18.567,452 0.476,453 0.88,454 0.023,455 49.5,456 1.269,457 22.5,458 0.577,459 27,460 0.692,461 37.666,462 0.966,463 41.433,464 0.568,465 38.059,466 0.976,467 9.325,468 0.239,469 9.811,470 0.252,471 0.045,473 0.361,479 0.819,480 1.44,481 0.793,482 1.132,483 0.579,484 0.984,485 1.102,486 1.152,487 0.938,488 0.965,489 0.632,490 0.927,491 0.984,492 0.995,493 0.943,494 0.947,495 0.78,496 0.932,497 1.089,498 1.076,499 1.037,500 1.093,501 1.075,502 1.069,503 1.063,504 0.973,505 1.038,506 0.984,507 1.241,508 1.007,509 0.996,510 1.095,511 1.044,512 1.086,513 1.118,514 1.074,515 1.271,516 0.964,517 1.079,518 0.956,519 0.925,520 0.985,521 1.145,522 1.061,523 1.18,524 1.136,525 0.86,526 1.161,527 6.5,528 0.209,529 5.167,530 2.507,531 2.272,532 1.257,533 0.802,534 0.535,535 0.323,536 0.256,537 30667,538 65864,539 2.233,540 46.6,541 4,542 22,544 1,545 1,546 3,547 3,550 1.788,551 2.147,552 3.973,553 -0.409,559 107.794,560 1.477,561 3.668,562 4.905,563 5.549,564 5.604,565 5.604,566 3.475,567 5.08,568 5.255,569 4.183,570 3099.71,571 9.232,572 54745.8,577 451.857,578 1.2,579 5.241,580 0.144,581 0.006,582 0.083,583 0.037,584 0.036,585 0.022,586 0.016,587 0.011,588 0.008,589 0.007,590 0.371,591 0.17,592 0.75,593 0.355,594 222.164,595 0.001,596 -0.245,597 0.089,598 -0.078,599 0.022,601 -0.032,602 -0.019,603 0.017,604 0.015,605 0.068,606 0.022,607 0.049,608 0.074,609 0.031,610 0.028,611 0.083,612 0.031,613 0.033,614 -0.068,615 -0.055,616 -0.098,617 -0.005,618 -0.091,619 0.042,620 -0.001,621 -0.041,622 0.002,623 -0.029,624 -0.025,625 -0.05,626 -0.119,627 -0.059,628 -0.101,629 -0.091,630 -0.085,631 -0.134,632 0.018,633 -0.068,634 0.001,635 -0.093,636 -0.019,637 -0.077,638 -0.076,639 -0.191,640 -0.152,641 -0.07,642 -0.181,643 1.77,644 5.703,645 0.821,646 54.782,647 0.995,648 1.126,649 3.025,650 9.153,651 0.666,652 3.829,653 4.19,654 4.5,655 4.804,656 5.075,657 5.209,658 5.398,659 5.568,660 5.677,661 5.768,662 9.492,663 0.629,664 522.71,665 3.829,666 5.398,667 6.282,668 7.182,669 8.078,670 8.982,671 9.883,672 10.789,673 11.694,674 12.602,675 8.2,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,702 1,709 1,712 1,714 73,716 23,717 2,718 45,720 79,721 31,722 18,723 6,724 6,725 1,730 7,731 11,736 1,740 2,741 1,743 3,745 19,746 12,747 1,750 1,755 1,759 1,764 34,765 7,766 1,767 8,770 1,773 6,777 0.571,778 2,786 1,790 1,792 1,793 5,796 1,797 2,815 1,819 4,823 1,827 39,833 10,834 1,835 1,837 1,838 2,847 2.7,850 1,852 1,854 18.167,855 13.417,856 8.333,857 4.718,858 4.653,859 1.488,860 1.037,861 6.594,862 14.193,863 4.06,864 4.675,865 5.289,866 5.898,867 6.436,868 6.774,869 7.176,870 7.561,871 7.866,872 7.978,873 1,874 67,875 14.509,877 6.353,878 7.5,879 28.669,881 24.916,883 2,884 78,888 388.446,889 149.718,890 59.73,892 36.145,895 149.718,896 424.591,897 59.73,898 8.825,899 42.841,900 75.81,901 83.81,902 43.321,903 2.757,904 376.675,906 388.446,907 209.448,908 36.145,911 353.133,912 71.458,915 72.966,916 102.911,917 33.571,919 388.446,920 95.874,921 149.718,924 388.446,925 56.465,926 101.401,927 18.011,928 69.716,929 388.446,930 95.874,931 149.718,933 0.589,934 0.344,935 0.19,936 0.105,937 35,938 14,939 0.089,940 7,941 3,942 1.188,943 5.124,944 401.629,945 0.188,946 32,947 198.131,951 24.77,952 10.383,953 5.07,954 2.294,955 93.975,956 18.778,957 9.164,961 6.697,962 2.022,963 18.011,964 634.039,965 57,970 12.703,974 -0.104,975 72.636,976 82.221,977 0.239,978 0.593,979 0.792,980 0.897,981 0.905,982 0.905,983 5.33,984 2.039,985 6.271,986 6.871,987 4.875,988 5.364,989 2.055,990 7.119,991 4.795,992 6.537,993 1.84,994 7.85,995 5.739,996 4.511,997 5.223,998 0.57,999 8.116,1000 4.404,1001 7.855,1002 1.63,1003 9.531,1004 5.513,1005 6.515,1006 7.579,1007 2.072,1008 11.224,1009 6.358,1010 9.209,1011 1.585,1012 11.272,1013 4.503,1014 6.967,1015 8.297,1016 0.479,1017 13.056,1018 6.78,1019 10.597,1020 1.419,1021 13.053,1022 4.227,1023 8.442,1024 10.135,1025 2.197,1026 15.702,1027 8.209,1028 12.01,1029 1.314,1030 14.861,1031 3.465,1032 9.267,1033 11.256,1034 0.346,1035 17.873,1036 8.998,1037 13.443,1038 1.168,1039 16.69,1040 3.166,1041 10.537,1042 12.885,1043 2.364,1044 20.369,1045 10.225,1046 3.287,1047 1,1048 18.534,1049 3.105,1050 11.538,1051 14.197,1052 0.237,1053 22.684,1054 11.185,1055 3.139,1056 11.649,1057 20.39,1058 2.275,1059 12.728,1060 15.739,1061 2.556,1062 25.13,1063 12.333,1064 2.893,1065 10.856,1066 22.256,1067 4.474,1068 13.812,1069 17.139,1070 0.158,1071 27.507,1072 13.372,1073 2.663,1074 9.919,1075 24.13,1076 4.348,1077 14.976,1078 18.644,1079 2.765,1080 29.939,1081 14.492,1082 2.641,1083 8.004,1084 26.011,1085 3.859,1086 16.1,1087 20.087,1088 0.104,1089 32.344,1090 15.569,1091 2.408,1092 7.718,1093 27.898,1094 3.249,1095 17.258,1096 21.578,1097 2.986,1098 34.774,1099 16.68,1100 2.302,1101 7.364,1102 29.789,1103 2.997,1104 18.402,1105 23.041,1106 0.068,1107 37.193,1108 17.776,1109 27247,1110 40136,1111 31.323,1112 48.603,1113 68.773,1114 69.649,1115 70.034,1116 68.173,1117 68.206,1118 86.024,1119 7.618,1120 202.034,1121 65.47,1122 5.631,1123 5.646,1124 6.451,1125 5.344,1126 5.287,1127 7.474,1128 2.302,1129 19.28,1130 5.117,1131 12.642,1132 1.528,1133 1.548,1134 1.556,1135 1.515,1136 1.516,1137 1.912,1138 0.169,1139 4.49,1140 1.455,1141 4.121,1142 4.157,1143 4.082,1144 4.022,1145 7.429,1146 4.03,1147 4.065,1148 4.097,1149 4.032,1150 3.953,1151 5.006,1152 3.969,1153 3.908,1154 3.962,1155 3.79,1156 3.802,1157 4.969,1158 3.79,1159 3.821,1160 3.886,1161 3.731,1162 3.661,1163 4.648,1164 3.676,1165 3.727,1166 3.771,1167 3.647,1168 3.577,1169 4.441,1170 3.587,1171 3.516,1172 3.569,1173 3.413,1174 3.413,1175 4.333,1176 3.406,1177 3.365,1178 3.429,1179 3.267,1180 3.19,1181 4.301,1182 3.184,1183 3.296,1184 3.365,1185 3.159,1186 3.047,1187 4.276,1188 3.08,1189 0.103,1190 0.081,1191 0.154,1192 0.094,1193 0.073,1194 4.631,1195 0.099,1196 3.646,1197 0.026,1198 6.922,1199 0.259,1200 4.235,1201 0.069,1202 3.287,1203 4.474,1204 1.151,1205 11.649,1206 3.117,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.079,1217 1.253,1218 2.071,1219 1.748,1220 1.68,1221 1.94,1222 1.96,1223 1.167,1224 1.959,1225 1.613,1226 1.575,1227 1.769,1228 1.823,1229 1.077,1230 1.804,1231 1.525,1232 1.475,1233 1.735,1234 1.691,1235 0.973,1236 1.704,1237 1.458,1238 1.396,1239 1.675,1240 1.638,1241 0.825,1242 1.657,1243 1.352,1244 1.289,1245 1.588,1246 1.546,1247 0.825,1248 1.558,1249 1.255,1250 1.19,1251 1.513,1252 1.478,1253 0.814,1254 1.479,1255 4.511,1256 1.946,1257 5.861,1258 3.932,1259 7.413,1260 5.82,1261 9.058,1262 7.673,1263 10.752,1265 2.042,1271 9.452,1272 3.031,1273 6.259,1275 0.634,1276 5.027,1280 45.933,1281 107.794,1282 267.779,1283 358.083,1284 405.102,1285 409.102,1286 409.102,1287 55.952,1288 9.541,1289 75.52,1290 75.52,1291 38,1292 13.119,1293 4.585,1294 3.7,1295 50.884,1296 225,1297 217,1298 0.108,1299 272.936,1300 469.28,1301 657.724,1302 256447,1304 26.346,1305 0.676,1306 0.574,1307 26.346,1308 22.397,1309 19.136,1310 0.425,1311 0.313,1312 13.888,1313 18.457,1314 13.595,1315 11.15,1316 19.136,1317 14.07,1318 17.458,1319 0.269,1320 0.169,1321 17.458,1322 10.992,1323 15.162,1324 0.17,1325 0.09,1326 15.162,1327 7.988,1328 13.104,1329 0.108,1330 0.047,1331 13.104,1332 5.706,1333 11.041,1334 0.069,1335 0.026,1336 11.041,1337 4.087,1338 0.176,1339 119.344,1340 0.179,1341 35.875,1342 0.279,1343 220,1344 548.029,1345 238.552,1346 531.257,1347 752.57,1348 504,1349 267,1350 575.866,1351 288.577,1352 582.002,1353 866.44,1354 551,1355 10.699} {0 CHEMBL1242436,1 1.49,2 16.132,3 3.745,4 14.024,5 147.84,6 7.267,7 0.5,8 4.365,9 4.488,10 3.939,11 3.903,12 5.363,13 3.886,14 4.943,15 5.132,16 4.303,17 4.314,18 5.887,19 4.279,20 5.18,21 5.393,22 4.404,23 4.487,24 6.116,25 4.423,26 5.273,27 5.483,28 4.38,29 4.526,30 6.219,31 4.437,32 5.314,33 5.557,34 4.269,35 4.509,36 6.191,37 4.393,38 5.26,39 5.514,40 4.162,41 4.441,42 6.05,43 4.308,44 5.212,45 5.479,46 4.036,47 4.313,48 5.999,49 4.185,50 5.034,51 5.278,52 3.929,53 4.221,54 5.832,55 4.091,56 0.019,57 1.088,58 14.892,59 6.237,60 7.751,61 8.494,62 0.323,63 1.822,64 29.669,65 10.136,66 23.75,67 14.363,68 0.452,69 2.194,70 38.73,71 13.681,72 37.778,73 19.405,74 0.484,75 2.288,76 43.066,77 16.018,78 52.105,79 22.092,80 0.678,81 2.334,82 46.633,83 16.237,84 64.924,85 23.22,86 0.328,87 2.24,88 43.584,89 15.748,90 37.8,91 22.922,92 0.516,93 2.028,94 43.461,95 14.455,96 48.029,97 20.785,98 0.413,99 1.75,100 35.079,101 12.607,102 34.789,103 17.894,104 5,105 64,106 0.231,107 0.546,108 0.732,109 0.845,110 0.854,111 0.854,112 3.668,113 0.927,114 -4.07,115 -4.01,116 -3.8,119 42.9,120 1,121 2,125 8,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 8,171 2,172 10,178 8,181 4,182 10,189 6,192 4,193 9,199 6,202 3,203 7,211 2,214 1,215 10,222 1,225 1,226 8,233 2,236 2,237 5,244 5,248 1,249 3,256 8,259 2742,260 26.447,261 26.447,262 26.447,263 26.447,264 26.447,265 23.781,266 34.839,267 15.284,268 27.083,269 21.723,270 21.723,271 21.723,272 21.723,273 21.723,274 17.536,275 44.21,276 7.207,277 22.757,278 4.639,279 2.603,280 1.401,281 0.668,282 0.611,283 0.611,284 4.395,289 1,290 1408,291 3.391,293 79.214,294 77.915,295 482.429,298 131.881,299 318.879,302 2.454,303 27.761,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 81,315 613,316 4.639,317 3.747,318 6.942,319 4.251,320 3.301,321 4.474,322 1.2,323 11.713,324 3.136,325 4.551,326 3.436,327 6.695,328 4.108,329 3.139,330 4.351,331 1.151,332 10.856,333 3.046,334 4.285,335 3.28,336 6.539,337 3.945,338 2.976,339 3.872,340 0.8,341 10.224,342 2.882,343 3.867,344 2.936,345 6.036,346 3.603,347 2.663,348 3.249,349 0.8,350 8.529,351 2.502,352 3.85,353 2.842,354 5.807,355 3.55,356 2.604,357 3.126,358 0.293,359 8.001,360 2.453,361 3.536,362 2.637,363 5.48,364 3.309,365 2.372,366 2.736,368 6.967,369 2.224,370 3.388,371 2.444,372 5.316,373 3.092,374 2.127,375 2.595,377 6.685,378 2.05,379 3.309,380 2.281,381 4.962,382 2.988,383 2.03,384 2.464,386 5.733,387 1.94,388 3.03,389 2.255,390 4.802,391 2.642,392 1.673,393 2.245,395 4.765,396 1.623,397 2.964,398 2.073,399 4.56,400 2.581,401 1.616,402 2.118,404 4.493,405 1.56,406 2.9,407 1.651,408 4.416,409 2.515,410 1.562,411 1.976,413 4.203,414 1.469,415 2.774,416 1.479,417 4.036,418 2.397,419 1.416,420 1.84,422 3.464,423 1.385,424 2.688,425 1.448,426 3.883,427 2.275,428 1.313,429 1.748,431 3.108,432 1.255,433 2.421,434 1.375,435 3.781,436 1.98,437 1.029,438 1.331,440 2.568,441 0.971,442 2.257,443 1.146,444 3.414,445 1.967,446 1,447 1.167,449 2.275,450 0.965,451 18.067,452 0.475,453 0.863,454 0.023,455 49.25,456 1.296,457 22.5,458 0.592,459 26.75,460 0.704,461 35.751,462 0.941,463 40.133,464 0.573,465 37.798,466 0.995,467 9.459,468 0.249,469 9.194,470 0.242,471 0.046,473 0.365,479 0.802,480 1.501,481 0.769,482 1.157,483 0.56,484 0.988,485 1.146,486 1.099,487 0.916,488 0.895,489 0.652,490 0.866,491 0.974,492 0.964,493 0.94,494 0.945,495 0.769,496 0.928,497 1.132,498 1.121,499 1.049,500 1.136,501 1.308,502 1.102,503 1.061,504 0.968,505 1.068,506 0.972,507 1.181,508 1.016,509 0.787,510 1.112,511 1.046,512 1.149,513 0.615,514 1.128,515 1.277,516 0.901,517 1.059,518 0.925,519 0.889,520 0.961,521 1.068,522 0.999,523 1.117,524 1.061,525 0.862,526 1.097,527 6,528 0.176,529 5,530 2.66,531 2.334,532 1.212,533 0.78,534 0.522,535 0.319,536 0.24,537 28163,538 62182,539 2.239,540 45.7,542 24,544 1,546 3,547 2,548 2,550 1.781,551 2.151,552 3.92,553 -0.784,559 104.333,560 1.49,561 3.526,562 4.728,563 5.461,564 5.518,565 5.518,566 3.387,567 4.86,568 5.22,569 4.114,570 2892.12,571 9.158,572 49620.5,577 429.05,578 1.211,579 5.203,580 0.136,581 0.005,582 0.081,583 0.04,584 0.037,585 0.022,586 0.016,587 0.012,588 0.008,589 0.007,590 0.364,591 0.33,592 0.75,593 0.362,594 214.095,595 0.013,596 -0.316,597 0.097,598 -0.116,599 0.024,600 -0.02,601 -0.056,602 0.038,603 0.035,604 0.069,605 0.034,606 0.067,607 0.045,608 0.107,609 0.023,610 0.031,611 0.089,612 0.031,613 0.027,614 -0.123,615 -0.073,616 -0.133,617 -0.037,618 -0.123,619 0.012,620 0.009,621 -0.073,622 0.011,623 -0.062,624 -0.034,625 -0.008,626 -0.132,627 -0.075,628 -0.16,629 -0.016,630 -0.129,631 -0.126,632 0.038,633 -0.034,634 0.04,635 -0.069,636 0.019,637 -0.06,638 -0.034,639 -0.129,640 -0.069,641 -0.062,642 -0.106,643 1.651,644 5.791,645 0.868,646 48.911,647 0.996,648 1.126,649 2.835,650 8.038,651 0.669,652 3.807,653 4.174,654 4.533,655 4.82,656 5.094,657 5.226,658 5.425,659 5.598,660 5.717,661 5.805,662 9.127,663 0.634,664 508.68,665 3.807,666 5.38,667 6.271,668 7.175,669 8.078,670 8.987,671 9.894,672 10.805,673 11.715,674 12.628,675 8.6,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,703 1,709 1,712 1,714 70,715 1,716 23,717 2,718 44,720 76,721 30,722 18,723 6,724 6,725 1,730 7,731 11,736 1,740 1,743 2,745 19,746 11,750 1,755 1,759 1,764 32,765 7,767 8,770 1,773 6,777 0.571,778 2,786 1,791 1,792 1,793 5,796 1,797 2,815 1,819 4,823 1,827 38,833 10,835 1,838 3,847 2.9,850 1,852 1,854 17.667,855 13.033,856 8.111,857 4.531,858 4.653,859 1.488,860 1.045,861 6.155,862 14.193,863 4.043,864 4.666,865 5.309,866 5.909,867 6.447,868 6.786,869 7.196,870 7.583,871 7.893,872 8.012,873 0.909,874 67,875 14.133,877 6.198,878 7.504,879 27.878,881 24.158,883 2.004,884 76.167,888 376.675,889 149.29,890 44.843,892 36.145,895 149.29,896 412.82,897 44.843,898 8.825,899 27.526,900 75.81,901 83.81,902 43.321,903 2.757,904 364.904,906 376.675,907 194.133,908 36.145,911 329.591,912 83.229,915 57.651,916 102.911,917 33.571,919 376.675,920 80.988,921 149.29,924 376.675,925 56.036,926 104.526,928 69.716,929 376.675,930 80.988,931 149.29,933 0.59,934 0.362,935 0.197,936 0.108,937 35,938 14,939 0.066,940 5,941 3,942 1.182,943 4.986,944 393.331,945 0.182,946 33,947 191.421,951 23.84,952 9.81,953 4.324,954 2.296,955 79.089,956 18.807,957 9.188,961 6.799,962 2.036,964 606.953,965 56,970 12.791,974 0.016,975 69.752,976 78.806,977 0.243,978 0.575,979 0.771,980 0.891,981 0.9,982 0.9,983 5.316,984 2.03,985 6.263,986 6.685,987 4.86,988 5.354,989 2.134,990 7.125,991 4.77,992 6.518,993 1.673,994 7.85,995 5.733,996 4.443,997 5.19,998 0.766,999 8.115,1000 4.306,1001 7.84,1002 1.616,1003 9.538,1004 4.765,1005 6.512,1006 7.58,1007 2.193,1008 11.265,1009 6.333,1010 9.198,1011 1.562,1012 11.289,1013 4.493,1014 6.948,1015 8.297,1016 0.931,1017 13.101,1018 6.724,1019 10.592,1020 1.416,1021 13.079,1022 4.203,1023 8.452,1024 10.141,1025 2.387,1026 15.764,1027 8.188,1028 12.011,1029 1.313,1030 14.896,1031 3.464,1032 9.279,1033 11.265,1034 1.142,1035 17.94,1036 8.972,1037 13.45,1038 1.029,1039 16.733,1040 3.108,1041 10.563,1042 12.894,1043 2.627,1044 20.445,1045 10.216,1046 3.301,1047 1,1048 18.585,1049 2.568,1050 11.572,1051 14.207,1052 1.436,1053 22.761,1054 11.182,1055 3.139,1056 11.713,1057 20.448,1058 2.275,1059 12.772,1060 15.748,1061 2.89,1062 25.213,1063 12.342,1064 2.976,1065 10.856,1066 22.321,1067 4.474,1068 13.863,1069 17.149,1070 1.783,1071 27.591,1072 13.39,1073 2.663,1074 10.224,1075 24.2,1076 4.351,1077 15.034,1078 18.654,1079 3.167,1080 30.027,1081 14.52,1082 2.604,1083 8.529,1084 26.086,1085 3.872,1086 16.164,1087 20.096,1088 2.156,1089 32.434,1090 15.606,1091 2.372,1092 8.001,1093 27.976,1094 3.249,1095 17.327,1096 21.586,1097 3.456,1098 34.867,1099 16.726,1100 2.127,1101 6.967,1102 29.871,1103 3.126,1104 18.477,1105 23.049,1106 2.541,1107 37.289,1108 17.83,1109 24979,1110 37326,1111 30.63,1112 46.841,1113 66.786,1114 67.753,1115 68.394,1116 66.283,1117 66.208,1118 83.983,1119 8.487,1120 198.247,1121 63.289,1122 5.639,1123 5.747,1124 6.56,1125 5.361,1126 5.301,1127 7.474,1128 2.351,1129 19.419,1130 5.136,1131 12.43,1132 1.518,1133 1.54,1134 1.554,1135 1.506,1136 1.505,1137 1.909,1138 0.193,1139 4.506,1140 1.438,1141 4.122,1142 4.158,1143 4.084,1144 4.022,1145 7.428,1146 4.029,1147 4.067,1148 4.099,1149 4.033,1150 3.954,1151 5.005,1152 3.97,1153 3.861,1154 3.915,1155 3.784,1156 3.709,1157 4.969,1158 3.722,1159 3.799,1160 3.869,1161 3.689,1162 3.609,1163 4.647,1164 3.619,1165 3.687,1166 3.74,1167 3.598,1168 3.54,1169 4.441,1170 3.547,1171 3.514,1172 3.568,1173 3.411,1174 3.412,1175 4.305,1176 3.405,1177 3.329,1178 3.401,1179 3.182,1180 3.183,1181 4.278,1182 3.171,1183 3.144,1184 3.206,1185 3.039,1186 2.953,1187 4.258,1188 2.94,1189 0.105,1190 0.085,1191 0.158,1192 0.097,1193 0.075,1194 4.639,1195 0.102,1196 3.747,1197 0.027,1198 6.942,1199 0.266,1200 4.251,1201 0.071,1202 3.301,1203 4.474,1204 1.2,1205 11.713,1206 3.136,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.959,1214 1.935,1215 2.056,1216 2.082,1217 1.337,1218 2.073,1219 1.806,1220 1.747,1221 2.005,1222 2.013,1223 1.252,1224 2.013,1225 1.746,1226 1.677,1227 1.94,1228 1.957,1229 1.166,1230 1.957,1231 1.539,1232 1.494,1233 1.737,1234 1.703,1235 0.974,1236 1.713,1237 1.506,1238 1.462,1239 1.686,1240 1.65,1241 0.825,1242 1.669,1243 1.368,1244 1.306,1245 1.592,1246 1.578,1247 0.814,1248 1.573,1249 1.257,1250 1.192,1251 1.513,1252 1.482,1253 0.783,1254 1.482,1255 4.489,1257 5.866,1258 2.398,1259 7.437,1260 4.727,1261 9.094,1262 6.862,1263 10.798,1265 2.042,1271 9.045,1273 6.261,1276 6.884,1280 44.406,1281 104.333,1282 246.827,1283 330.992,1284 382.295,1285 386.295,1286 386.295,1287 52.851,1288 9.54,1289 66.73,1290 66.73,1291 39,1292 13.142,1293 4.585,1294 3.7,1295 49.03,1296 213,1297 196,1298 0.111,1299 263.344,1300 451.98,1301 634.319,1302 252659,1304 25.639,1305 0.675,1306 0.573,1307 25.639,1308 21.767,1309 18.653,1310 0.424,1311 0.309,1312 13.407,1313 17.944,1314 13.126,1315 10.743,1316 18.653,1317 13.598,1318 17.01,1319 0.266,1320 0.164,1321 17.01,1322 10.485,1323 15.561,1324 0.169,1325 0.089,1326 15.561,1327 8.159,1328 13.16,1329 0.107,1330 0.046,1331 13.16,1332 5.681,1333 11.086,1334 0.068,1335 0.025,1336 11.086,1337 4.106,1338 0.18,1339 116.566,1340 0.181,1341 34.977,1342 0.288,1343 216,1344 549.342,1345 235.246,1346 530.92,1347 753.73,1348 504,1349 264,1350 578.992,1351 286.908,1352 584.18,1353 872.56,1354 553,1355 9.699} {0 CHEMBL1242533,1 1.477,2 16.256,3 4.325,4 18.704,5 152.483,6 7.16,7 0.489,8 4.401,9 4.525,10 3.961,11 3.938,12 5.387,13 3.917,14 4.998,15 5.187,16 4.349,17 4.37,18 5.926,19 4.331,20 5.257,21 5.478,22 4.427,23 4.543,24 6.165,25 4.467,26 5.329,27 5.548,28 4.411,29 4.562,30 6.266,31 4.47,32 5.346,33 5.586,34 4.305,35 4.539,36 6.24,37 4.425,38 5.297,39 5.549,40 4.216,41 4.485,42 6.09,43 4.356,44 5.271,45 5.535,46 4.09,47 4.373,48 6.055,49 4.243,50 5.107,51 5.357,52 3.976,53 4.278,54 5.894,55 4.145,56 0.028,57 1.128,58 15.846,59 6.574,60 7.969,61 9.045,62 0.334,63 1.923,64 31.716,65 10.844,66 24.434,67 15.536,68 0.49,69 2.344,70 42.536,71 14.901,72 39.572,73 21.406,74 0.517,75 2.386,76 46.367,77 17.018,78 54.124,79 23.721,80 0.715,81 2.401,82 48.323,83 16.615,84 69.996,85 23.805,86 0.352,87 2.336,88 45.255,89 16.137,90 38.821,91 23.641,92 0.534,93 2.147,94 45.905,95 15.237,96 48.206,97 21.995,98 0.467,99 1.853,100 38.236,101 13.586,102 37.994,103 19.349,104 5,105 65,106 0.227,107 0.538,108 0.728,109 0.836,110 0.844,111 0.844,112 3.693,113 0.94,114 -4.26,115 -4.19,116 -3.96,119 42.5,120 1,121 3,125 8,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 9,171 2,172 11,178 8,181 4,182 10,189 6,192 4,193 10,199 6,202 3,203 8,211 2,214 1,215 11,222 1,225 1,226 9,233 2,236 2,237 5,244 6,248 1,249 3,256 10,259 2994,260 27.154,261 27.154,262 27.154,263 27.154,264 27.154,265 24.488,266 34.839,267 15.784,268 27.79,269 22.223,270 22.223,271 22.223,272 22.223,273 22.223,274 18.036,275 41.71,276 7.455,277 23.257,278 4.713,279 2.689,280 1.453,281 0.75,282 0.695,283 0.695,284 4.422,289 1,290 1450,291 3.391,294 176.673,295 496.543,298 134.928,299 328.132,302 2.519,303 28.431,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 83,315 634,316 4.639,317 3.742,318 6.942,319 4.25,320 3.3,321 4.474,322 1.2,323 11.713,324 3.134,325 4.551,326 3.434,327 6.695,328 4.108,329 3.139,330 4.351,331 1.151,332 10.856,333 3.046,334 4.283,335 3.28,336 6.537,337 3.939,338 2.968,339 3.871,340 0.8,341 10.219,342 2.877,343 3.861,344 2.934,345 6.03,346 3.597,347 2.659,348 3.249,349 0.8,350 8.506,351 2.495,352 3.843,353 2.841,354 5.807,355 3.54,356 2.593,357 3.117,358 0.293,359 8.001,360 2.447,361 3.536,362 2.636,363 5.472,364 3.308,365 2.371,366 2.735,368 6.958,369 2.222,370 3.381,371 2.414,372 5.315,373 3.089,374 2.123,375 2.586,377 6.661,378 2.048,379 3.306,380 2.278,381 4.962,382 2.988,383 2.029,384 2.462,386 5.733,387 1.94,388 3.03,389 2.255,390 4.791,391 2.672,392 1.691,393 2.245,395 4.737,396 1.659,397 2.965,398 2.072,399 4.56,400 2.581,401 1.621,402 2.117,404 4.492,405 1.561,406 2.905,407 1.651,408 4.414,409 2.523,410 1.573,411 1.977,413 4.202,414 1.474,415 2.775,416 1.479,417 4.036,418 2.399,419 1.418,420 1.841,422 3.464,423 1.387,424 2.689,425 1.448,426 3.884,427 2.275,428 1.313,429 1.749,431 3.108,432 1.255,433 2.457,434 1.375,435 3.801,436 2.093,437 1.146,438 1.404,440 2.827,441 1.081,442 2.258,443 1.146,444 3.414,445 1.967,446 1,447 1.171,449 2.275,450 0.965,451 18.567,452 0.476,453 0.863,454 0.022,455 49.75,456 1.276,457 22.5,458 0.577,459 27.25,460 0.699,461 38.026,462 0.975,463 41.433,464 0.568,465 38.548,466 0.988,467 9.459,468 0.243,469 9.694,470 0.249,471 0.045,473 0.355,479 0.801,480 1.501,481 0.785,482 1.166,483 0.56,484 1.002,485 1.136,486 1.119,487 0.916,488 0.91,489 0.641,490 0.877,491 0.973,492 0.972,493 0.968,494 0.964,495 0.745,496 0.954,497 1.14,498 1.09,499 1.007,500 1.097,501 1.378,502 1.057,503 1.181,504 0.982,505 1.087,506 0.967,507 1.438,508 1.012,509 0.831,510 1.12,511 1.053,512 1.136,513 0.645,514 1.117,515 1.329,516 0.932,517 1.091,518 0.962,519 0.899,520 0.993,521 1.159,522 0.956,523 1.098,524 1.009,525 0.884,526 1.05,527 6,528 0.18,529 5.111,530 2.563,531 2.352,532 1.226,533 0.796,534 0.537,535 0.34,536 0.25,537 30029,538 64890,539 2.233,540 46.6,542 24,544 1,546 3,547 6,550 1.788,551 2.147,552 3.937,553 -0.789,559 107.794,560 1.477,561 3.501,562 4.737,563 5.44,564 5.495,565 5.495,566 3.401,567 5.029,568 5.257,569 4.144,570 3070.71,571 9.233,572 53792.6,577 451.857,578 1.2,579 5.241,580 0.133,581 0.005,582 0.079,583 0.038,584 0.036,585 0.021,586 0.015,587 0.012,588 0.008,589 0.007,590 0.354,591 0.17,592 0.75,593 0.355,594 221.541,595 0.019,596 -0.308,597 0.097,598 -0.112,599 0.03,600 -0.018,601 -0.045,602 0.024,603 0.042,604 0.062,605 0.04,606 0.065,607 0.039,608 0.095,609 0.003,610 0.013,611 0.092,612 0.011,613 0.047,614 -0.101,615 -0.02,616 -0.094,617 -0.019,618 -0.074,619 -0.012,620 0.004,621 -0.087,622 0.012,623 -0.102,624 -0.039,625 -0.023,626 -0.122,627 -0.083,628 -0.151,629 -0.03,630 -0.126,631 -0.136,632 0.019,633 -0.07,634 -0.001,635 -0.076,636 -0.022,637 -0.075,639 -0.101,640 -0.02,641 -0.066,642 -0.061,643 1.64,644 6.011,645 0.872,646 52.15,647 0.995,648 1.126,649 3.025,650 9.153,651 0.666,652 3.829,653 4.19,654 4.543,655 4.86,656 5.106,657 5.247,658 5.442,659 5.62,660 5.743,661 5.841,662 9.316,663 0.629,664 522.71,665 3.829,666 5.398,667 6.286,668 7.188,669 8.088,670 8.995,671 9.9,672 10.809,673 11.718,674 12.629,675 8.2,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,703 1,709 1,712 1,714 73,716 23,717 2,718 45,720 79,721 31,722 18,723 6,724 6,725 1,730 7,731 11,736 1,740 2,743 3,745 19,746 12,750 1,755 1,759 1,764 34,765 7,767 8,770 1,773 6,777 0.571,778 2,786 1,789 1,792 2,793 5,796 1,797 2,815 1,819 4,823 1,827 39,833 11,835 1,838 3,847 2.7,850 1,852 1,854 18.167,855 13.533,856 8.361,857 4.781,858 4.661,859 1.483,860 1.039,861 6.594,862 14.305,863 4.06,864 4.675,865 5.314,866 5.922,867 6.45,868 6.793,869 7.2,870 7.589,871 7.901,872 8.026,873 0.909,874 68,875 14.517,877 6.345,878 7.491,879 28.694,881 24.824,883 1.991,884 77.667,888 400.217,889 151.824,890 44.843,892 36.145,895 151.824,896 436.362,897 44.843,898 8.825,899 30.06,900 75.81,901 83.81,902 43.321,903 2.757,904 388.446,906 400.217,907 196.667,908 36.145,911 329.591,912 106.771,915 60.185,916 102.911,917 33.571,919 400.217,920 80.988,921 151.824,924 400.217,925 58.57,926 104.526,928 69.716,929 400.217,930 80.988,931 151.824,933 0.588,934 0.359,935 0.203,936 0.108,937 35,938 14,939 0.063,940 5,941 3,942 1.176,943 5.04,944 406.955,945 0.176,946 34,947 196.131,951 24.77,952 10.383,953 4.628,954 2.297,955 79.089,956 18.839,957 9.233,961 6.818,962 2.047,964 633.03,965 57,970 13.011,974 0.026,975 72.636,976 82.221,977 0.239,978 0.566,979 0.765,980 0.879,981 0.888,982 0.888,983 5.33,984 2.029,985 6.275,986 6.661,987 4.875,988 5.364,989 2.134,990 7.132,991 4.787,992 6.528,993 1.691,994 7.857,995 5.733,996 4.443,997 5.19,998 0.766,999 8.115,1000 4.306,1001 7.844,1002 1.621,1003 9.543,1004 4.737,1005 6.509,1006 7.579,1007 2.193,1008 11.262,1009 6.332,1010 9.199,1011 1.573,1012 11.291,1013 4.492,1014 6.948,1015 8.297,1016 0.931,1017 13.1,1018 6.725,1019 10.591,1020 1.418,1021 13.079,1022 4.202,1023 8.443,1024 10.14,1025 2.387,1026 15.762,1027 8.181,1028 12.009,1029 1.313,1030 14.895,1031 3.464,1032 9.275,1033 11.264,1034 1.142,1035 17.938,1036 8.969,1037 13.447,1038 1.146,1039 16.732,1040 3.108,1041 10.553,1042 12.893,1043 2.627,1044 20.443,1045 10.209,1046 3.3,1047 1,1048 18.583,1049 2.827,1050 11.565,1051 14.206,1052 1.436,1053 22.759,1054 11.177,1055 3.139,1056 11.713,1057 20.446,1058 2.275,1059 12.762,1060 15.748,1061 2.89,1062 25.212,1063 12.335,1064 2.968,1065 10.856,1066 22.319,1067 4.474,1068 13.855,1069 17.149,1070 1.783,1071 27.59,1072 13.384,1073 2.659,1074 10.219,1075 24.198,1076 4.351,1077 15.024,1078 18.653,1079 3.167,1080 30.026,1081 14.512,1082 2.593,1083 8.506,1084 26.084,1085 3.871,1086 16.155,1087 20.096,1088 2.156,1089 32.433,1090 15.599,1091 2.371,1092 8.001,1093 27.974,1094 3.249,1095 17.318,1096 21.586,1097 3.456,1098 34.865,1099 16.718,1100 2.123,1101 6.958,1102 29.869,1103 3.117,1104 18.467,1105 23.049,1106 2.541,1107 37.287,1108 17.823,1109 26732,1110 39500,1111 31.323,1112 48.603,1113 68.667,1114 69.801,1115 69.724,1116 68.523,1117 68.46,1118 86.262,1119 8.487,1120 203.102,1121 65.504,1122 5.639,1123 5.742,1124 6.538,1125 5.36,1126 5.3,1127 7.474,1128 2.351,1129 19.422,1130 5.134,1131 12.607,1132 1.526,1133 1.551,1134 1.549,1135 1.523,1136 1.521,1137 1.917,1138 0.189,1139 4.513,1140 1.456,1141 4.122,1142 4.158,1143 4.084,1144 4.022,1145 7.428,1146 4.03,1147 4.066,1148 4.098,1149 4.033,1150 3.954,1151 5.005,1152 3.97,1153 3.858,1154 3.913,1155 3.778,1156 3.711,1157 4.969,1158 3.721,1159 3.802,1160 3.873,1161 3.69,1162 3.619,1163 4.647,1164 3.626,1165 3.696,1166 3.747,1167 3.605,1168 3.555,1169 4.441,1170 3.56,1171 3.515,1172 3.568,1173 3.411,1174 3.413,1175 4.305,1176 3.405,1177 3.332,1178 3.403,1179 3.187,1180 3.184,1181 4.278,1182 3.173,1183 3.171,1184 3.206,1185 3.078,1186 2.953,1187 4.257,1188 2.955,1189 0.103,1190 0.083,1191 0.154,1192 0.094,1193 0.073,1194 4.639,1195 0.099,1196 3.742,1197 0.027,1198 6.942,1199 0.26,1200 4.25,1201 0.07,1202 3.3,1203 4.474,1204 1.2,1205 11.713,1206 3.134,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.958,1214 1.935,1215 2.055,1216 2.079,1217 1.253,1218 2.071,1219 1.749,1220 1.68,1221 1.94,1222 1.96,1223 1.211,1224 1.959,1225 1.615,1226 1.579,1227 1.86,1228 1.822,1229 1.167,1230 1.797,1231 1.577,1232 1.507,1233 1.75,1234 1.751,1235 1.012,1236 1.793,1237 1.524,1238 1.475,1239 1.73,1240 1.689,1241 0.947,1242 1.702,1243 1.441,1244 1.377,1245 1.661,1246 1.636,1247 0.825,1248 1.652,1249 1.325,1250 1.258,1251 1.575,1252 1.524,1253 0.812,1254 1.543,1255 4.511,1257 5.861,1258 3.045,1259 7.413,1260 5.283,1261 9.059,1262 7.31,1263 10.757,1265 2.044,1271 10.115,1273 6.293,1276 6.944,1280 45.933,1281 107.794,1282 255.58,1283 345.799,1284 397.102,1285 401.102,1286 401.102,1287 55.627,1288 9.644,1289 66.73,1290 66.73,1291 40,1292 13.144,1293 4.585,1294 3.7,1295 50.893,1296 222,1297 208,1298 0.11,1299 272.936,1300 469.28,1301 657.724,1302 287903,1304 26.346,1305 0.676,1306 0.576,1307 26.346,1308 22.474,1309 19.153,1310 0.426,1311 0.313,1312 13.907,1313 18.444,1314 13.617,1315 11.16,1316 19.153,1317 14.098,1318 17.364,1319 0.267,1320 0.167,1321 17.364,1322 10.838,1323 15.811,1324 0.17,1325 0.09,1326 15.811,1327 8.409,1328 13.882,1329 0.108,1330 0.049,1331 13.882,1332 6.24,1333 11.252,1334 0.069,1335 0.026,1336 11.252,1337 4.218,1338 0.179,1339 119.566,1340 0.179,1341 35.724,1342 0.285,1343 220,1344 553.342,1345 239.246,1346 535.081,1347 759.49,1348 508,1349 268,1350 582.992,1351 290.908,1352 588.341,1353 878.32,1354 557,1355 9.801} {0 CHEMBL1242623,1 1.463,2 16.85,3 4.781,4 22.858,5 157.084,6 7.062,7 0.478,8 4.436,9 4.562,10 3.983,11 3.972,12 5.411,13 3.947,14 5.035,15 5.227,16 4.366,17 4.403,18 5.951,19 4.359,20 5.31,21 5.535,22 4.468,23 4.592,24 6.201,25 4.513,26 5.396,27 5.622,28 4.434,29 4.614,30 6.308,31 4.512,32 5.398,33 5.645,34 4.339,35 4.574,36 6.286,37 4.458,38 5.329,39 5.578,40 4.253,41 4.515,42 6.144,43 4.39,44 5.307,45 5.569,46 4.147,47 4.421,48 6.095,49 4.295,50 5.172,51 5.42,52 4.033,53 4.34,54 5.956,55 4.206,56 0.036,57 1.167,58 16.788,59 6.91,60 8.154,61 9.593,62 0.344,63 1.987,64 33.357,65 11.427,66 24.986,67 16.517,68 0.509,69 2.463,70 45.267,71 15.829,72 40.596,73 22.931,74 0.554,75 2.535,76 50.049,77 18.196,78 55.063,79 25.651,80 0.739,81 2.497,82 51.376,83 17.569,84 71.354,85 25.364,86 0.393,87 2.403,88 46.956,89 16.515,90 43.958,91 24.207,92 0.551,93 2.242,94 47.457,95 15.603,96 48.944,97 22.699,98 0.487,99 1.975,100 40.79,101 14.408,102 38.255,103 20.597,104 5,105 66,106 0.223,107 0.529,108 0.725,109 0.839,110 0.847,111 0.847,112 3.717,113 0.952,114 -4.44,115 -4.37,116 -4.12,119 42.1,120 1,121 4,125 8,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 10,171 2,172 11,178 9,181 4,182 11,189 6,192 4,193 10,199 6,202 3,203 9,211 2,214 1,215 12,222 1,225 1,226 10,233 2,236 2,237 6,244 6,248 1,249 3,256 11,259 3266,260 27.861,261 27.861,262 27.861,263 27.861,264 27.861,265 25.196,266 34.839,267 16.284,268 28.497,269 22.723,270 22.723,271 22.723,272 22.723,273 22.723,274 18.536,275 41.71,276 7.705,277 23.757,278 4.785,279 2.78,280 1.494,281 0.747,282 0.694,283 0.694,284 4.447,289 1,290 1535,291 3.391,294 81.382,295 631.09,298 138.542,299 338.004,302 2.658,303 28.918,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 85,315 674,316 4.639,317 3.741,318 6.942,319 4.25,320 3.3,321 4.474,322 1.2,323 11.713,324 3.134,325 4.551,326 3.434,327 6.695,328 4.108,329 3.139,330 4.351,331 1.151,332 10.856,333 3.046,334 4.282,335 3.28,336 6.537,337 3.936,338 2.965,339 3.871,340 0.8,341 10.218,342 2.875,343 3.86,344 2.934,345 6.029,346 3.595,347 2.657,348 3.249,349 0.8,350 8.5,351 2.492,352 3.839,353 2.841,354 5.807,355 3.534,356 2.586,357 3.114,358 0.293,359 8.001,360 2.443,361 3.535,362 2.636,363 5.469,364 3.307,365 2.371,366 2.735,368 6.955,369 2.221,370 3.378,371 2.397,372 5.315,373 3.086,374 2.119,375 2.581,377 6.653,378 2.046,379 3.304,380 2.275,381 4.962,382 2.989,383 2.029,384 2.46,386 5.733,387 1.941,388 3.03,389 2.255,390 4.785,391 2.709,392 1.719,393 2.245,395 4.72,396 1.699,397 2.966,398 2.072,399 4.56,400 2.581,401 1.626,402 2.116,404 4.491,405 1.561,406 2.91,407 1.651,408 4.412,409 2.53,410 1.582,411 1.979,413 4.201,414 1.479,415 2.776,416 1.479,417 4.036,418 2.402,419 1.421,420 1.842,422 3.464,423 1.39,424 2.689,425 1.448,426 3.887,427 2.278,428 1.316,429 1.749,431 3.118,432 1.258,433 2.509,434 1.411,435 3.82,436 2.233,437 1.281,438 1.494,440 3.102,441 1.215,442 2.26,443 1.375,444 3.414,445 1.984,446 1,447 1.177,449 2.275,450 0.983,451 19.067,452 0.477,453 0.863,454 0.022,455 50.25,456 1.256,457 22.5,458 0.563,459 27.75,460 0.694,461 40.206,462 1.005,463 42.733,464 0.562,465 39.173,466 0.979,467 9.459,468 0.236,469 10.194,470 0.255,471 0.044,473 0.346,479 0.801,480 1.502,481 0.801,482 1.175,483 0.561,484 1.015,485 1.13,486 1.131,487 0.928,488 0.93,489 0.639,490 0.897,491 0.962,492 0.979,493 0.952,494 0.957,495 0.731,496 0.943,497 1.137,498 1.091,499 1.027,500 1.103,501 1.337,502 1.07,503 1.189,504 0.961,505 1.046,506 0.941,507 1.504,508 0.975,509 0.953,510 1.131,511 1.074,512 1.127,513 0.909,514 1.111,515 1.37,516 0.945,517 1.097,518 0.956,519 0.929,520 0.988,521 1.217,522 0.987,523 1.131,524 1.045,525 0.892,526 1.08,527 6,528 0.189,529 5.111,530 2.722,531 2.383,532 1.296,533 0.831,534 0.565,535 0.352,536 0.266,537 32075,538 67862,539 2.226,540 47.4,541 2,542 24,544 1,546 3,547 6,550 1.794,551 2.143,552 3.985,553 -0.795,559 111.215,560 1.463,561 3.467,562 4.754,563 5.501,564 5.554,565 5.554,566 3.467,567 5.003,568 5.293,569 4.183,570 3262.5,571 9.306,572 58377.5,577 474.842,578 1.188,579 5.278,580 0.13,581 0.005,582 0.077,583 0.038,584 0.036,585 0.022,586 0.015,587 0.012,588 0.008,589 0.007,590 0.351,591 0.17,592 0.75,593 0.349,594 229.145,595 0.024,596 -0.299,597 0.096,598 -0.108,599 0.036,600 -0.017,601 -0.036,602 0.015,603 0.039,604 0.05,605 0.046,606 0.055,607 0.049,608 0.089,609 0.024,610 0.024,611 0.099,612 0.026,613 0.041,614 -0.099,615 -0.037,616 -0.102,617 -0.011,618 -0.086,619 0.006,620 0.018,621 -0.04,622 0.037,623 -0.084,624 -0.002,625 -0.05,626 -0.124,627 -0.096,628 -0.145,629 -0.073,630 -0.127,631 -0.147,632 0.025,633 -0.078,635 -0.09,636 -0.025,637 -0.087,638 -0.019,639 -0.134,640 -0.058,641 -0.073,642 -0.098,643 1.634,644 6.163,645 0.875,646 55.715,647 0.994,648 1.127,649 3.213,650 10.324,651 0.663,652 3.85,653 4.205,654 4.554,655 4.868,656 5.142,657 5.257,658 5.46,659 5.635,660 5.762,661 5.864,662 9.535,663 0.624,664 536.74,665 3.85,666 5.416,667 6.301,668 7.2,669 8.098,670 9.002,671 9.906,672 10.814,673 11.722,674 12.632,675 7.9,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,703 1,709 1,712 1,714 76,716 23,717 2,718 46,720 82,721 32,722 18,723 6,724 6,725 1,730 7,731 11,736 1,740 3,743 4,745 19,746 13,750 1,755 1,759 1,764 36,765 7,767 8,770 1,773 6,777 0.571,778 2,786 1,792 1,793 6,796 1,797 2,815 1,819 4,823 1,827 40,833 12,835 1,838 3,847 2.6,850 1,852 1,854 18.667,855 14.033,856 8.611,857 5.031,858 4.668,859 1.479,860 1.033,861 7.046,862 14.406,863 4.078,864 4.684,865 5.319,866 5.925,867 6.459,868 6.795,869 7.205,870 7.592,871 7.905,872 8.033,873 1,874 71,875 14.899,877 6.491,878 7.479,879 29.511,881 25.491,883 1.979,884 79.167,888 423.76,889 154.359,890 44.843,892 36.145,895 154.359,896 459.904,897 44.843,898 8.825,899 32.595,900 75.81,901 83.81,902 43.321,903 2.757,904 411.989,906 423.76,907 199.202,908 36.145,911 353.133,912 106.771,915 62.72,916 102.911,917 33.571,919 423.76,920 80.988,921 154.359,924 423.76,925 61.105,926 104.526,928 69.716,929 423.76,930 80.988,931 154.359,933 0.586,934 0.356,935 0.202,936 0.112,937 35,938 14,939 0.061,940 5,941 3,942 1.171,943 5.114,944 419.391,945 0.171,946 35,947 202.877,951 25.703,952 10.966,953 4.95,954 2.298,955 79.089,956 18.866,957 9.267,961 6.832,962 2.054,964 659.106,965 58,970 13.163,974 0.033,975 75.519,976 85.637,977 0.234,978 0.555,979 0.761,980 0.88,981 0.889,982 0.889,983 5.345,984 2.029,985 6.286,986 6.653,987 4.89,988 5.373,989 2.134,990 7.138,991 4.804,992 6.539,993 1.719,994 7.865,995 5.733,996 4.443,997 5.19,998 0.766,999 8.115,1000 4.306,1001 7.852,1002 1.626,1003 9.548,1004 4.72,1005 6.518,1006 7.582,1007 2.193,1008 11.264,1009 6.343,1010 9.203,1011 1.582,1012 11.294,1013 4.491,1014 6.938,1015 8.294,1016 0.931,1017 13.098,1018 6.715,1019 10.593,1020 1.421,1021 13.081,1022 4.201,1023 8.447,1024 10.141,1025 2.387,1026 15.762,1027 8.187,1028 12.009,1029 1.316,1030 14.896,1031 3.464,1032 9.267,1033 11.263,1034 1.142,1035 17.937,1036 8.962,1037 13.446,1038 1.281,1039 16.732,1040 3.118,1041 10.554,1042 12.893,1043 2.627,1044 20.442,1045 10.211,1046 3.3,1047 1,1048 18.583,1049 3.102,1050 11.559,1051 14.206,1052 1.436,1053 22.759,1054 11.172,1055 3.139,1056 11.713,1057 20.446,1058 2.275,1059 12.76,1060 15.747,1061 2.89,1062 25.211,1063 12.334,1064 2.965,1065 10.856,1066 22.318,1067 4.474,1068 13.85,1069 17.148,1070 1.783,1071 27.589,1072 13.38,1073 2.657,1074 10.218,1075 24.198,1076 4.351,1077 15.022,1078 18.653,1079 3.167,1080 30.025,1081 14.51,1082 2.586,1083 8.5,1084 26.083,1085 3.871,1086 16.151,1087 20.096,1088 2.156,1089 32.432,1090 15.595,1091 2.371,1092 8.001,1093 27.974,1094 3.249,1095 17.315,1096 21.586,1097 3.456,1098 34.865,1099 16.716,1100 2.119,1101 6.955,1102 29.868,1103 3.114,1104 18.464,1105 23.049,1106 2.541,1107 37.287,1108 17.819,1109 28653,1110 41884,1111 32.016,1112 50.364,1113 70.258,1114 71.177,1115 71.466,1116 69.923,1117 69.876,1118 87.687,1119 8.487,1120 205.953,1121 66.918,1122 5.639,1123 5.741,1124 6.744,1125 5.359,1126 5.3,1127 7.474,1128 2.351,1129 19.421,1130 5.134,1131 12.792,1132 1.527,1133 1.547,1134 1.554,1135 1.52,1136 1.519,1137 1.906,1138 0.185,1139 4.477,1140 1.455,1141 4.122,1142 4.158,1143 4.084,1144 4.022,1145 7.428,1146 4.03,1147 4.066,1148 4.098,1149 4.033,1150 3.954,1151 5.005,1152 3.97,1153 3.857,1154 3.912,1155 3.774,1156 3.713,1157 4.969,1158 3.721,1159 3.805,1160 3.875,1161 3.691,1162 3.628,1163 4.647,1164 3.634,1165 3.703,1166 3.752,1167 3.61,1168 3.563,1169 4.441,1170 3.569,1171 3.515,1172 3.568,1173 3.411,1174 3.413,1175 4.305,1176 3.405,1177 3.336,1178 3.406,1179 3.2,1180 3.186,1181 4.279,1182 3.176,1183 3.228,1184 3.273,1185 3.126,1186 2.984,1187 4.257,1188 3.017,1189 0.101,1190 0.081,1191 0.151,1192 0.092,1193 0.072,1194 4.639,1195 0.097,1196 3.741,1197 0.026,1198 6.942,1199 0.255,1200 4.25,1201 0.068,1202 3.3,1203 4.474,1204 1.2,1205 11.713,1206 3.134,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.395,1212 2.144,1213 1.959,1214 1.935,1215 2.058,1216 2.081,1217 1.36,1218 2.072,1219 1.824,1220 1.765,1221 2.042,1222 2.012,1223 1.253,1224 2.024,1225 1.747,1226 1.678,1227 1.94,1228 1.958,1229 1.166,1230 1.957,1231 1.552,1232 1.514,1233 1.738,1234 1.713,1235 0.977,1236 1.719,1237 1.515,1238 1.47,1239 1.691,1240 1.66,1241 0.825,1242 1.676,1243 1.384,1244 1.323,1245 1.6,1246 1.604,1247 0.825,1248 1.595,1249 1.272,1250 1.208,1251 1.513,1252 1.488,1253 0.816,1254 1.498,1255 4.533,1257 5.878,1258 2.398,1259 7.432,1260 4.727,1261 9.08,1262 6.862,1263 10.778,1265 2.044,1271 11.311,1273 6.317,1276 6.98,1280 47.46,1281 111.215,1282 263.525,1283 361.275,1284 418.088,1285 422.088,1286 422.088,1287 58.349,1288 9.738,1289 66.73,1290 66.73,1291 41,1292 13.148,1293 4.585,1294 3.7,1295 52.783,1296 232,1297 220,1298 0.109,1299 282.529,1300 486.58,1301 681.13,1302 324671,1304 27.053,1305 0.676,1306 0.58,1307 27.053,1308 23.181,1309 19.653,1310 0.427,1311 0.317,1312 14.407,1313 18.944,1314 14.107,1315 11.577,1316 19.653,1317 14.598,1318 17.717,1319 0.268,1320 0.17,1321 17.717,1322 11.192,1323 16.061,1324 0.171,1325 0.092,1326 16.061,1327 8.659,1328 14.058,1329 0.109,1330 0.05,1331 14.058,1332 6.417,1333 11.865,1334 0.07,1335 0.028,1336 11.865,1337 4.692,1338 0.177,1339 122.566,1340 0.177,1341 36.491,1342 0.282,1343 224,1344 557.342,1345 243.246,1346 539.243,1347 765.25,1348 512,1349 272,1350 586.992,1351 294.908,1352 592.503,1353 884.08,1354 561,1355 9.801} {0 CHEMBL1242717,1 1.523,2 16.85,3 3.552,4 12.613,5 154.018,6 7.28,7 0.478,8 4.421,9 4.541,10 3.992,11 3.936,12 5.424,13 3.925,14 5.017,15 5.2,16 4.372,17 4.359,18 5.969,19 4.333,20 5.263,21 5.473,22 4.469,23 4.552,24 6.197,25 4.49,26 5.354,27 5.568,28 4.435,29 4.592,30 6.292,31 4.499,32 5.393,33 5.638,34 4.346,35 4.558,36 6.312,37 4.446,38 5.311,39 5.559,40 4.257,41 4.493,42 6.127,43 4.372,44 5.292,45 5.55,46 4.158,47 4.388,48 6.099,49 4.271,50 5.148,51 5.39,52 4.039,53 4.294,54 5.97,55 4.173,56 0.003,57 1.138,58 15.83,59 6.631,60 7.91,61 8.938,62 0.39,63 1.914,64 32.356,65 10.734,66 28.408,67 15.003,68 0.585,69 2.346,70 42.483,71 14.662,72 43.568,73 20.701,74 0.482,75 2.448,76 46.899,77 17.498,78 54.622,79 24.278,80 0.849,81 2.462,82 51.155,83 17.314,84 85.104,85 24.904,86 0.389,87 2.352,88 45.79,89 16.163,90 43.1,91 23.673,92 0.595,93 2.17,94 46.911,95 15.307,96 51.798,97 22.067,98 0.634,99 1.883,100 40.133,101 13.831,102 46.711,103 19.473,104 5,105 66,106 0.233,107 0.545,108 0.732,109 0.838,110 0.847,111 0.847,112 3.717,113 0.924,114 -3.52,115 -3.49,116 -3.33,119 41.9,120 1,121 1,125 10,140 8,141 2,142 3,144 3,150 1,156 1,158 1,169 8,171 2,172 9,178 8,181 5,182 10,189 6,192 4,193 8,199 6,202 4,203 6,211 2,214 2,215 9,222 1,225 2,226 7,233 2,236 3,237 5,244 4,248 1,249 4,256 6,259 3266,260 27.861,261 27.861,262 27.861,263 27.861,264 27.861,265 25.196,266 35.615,267 16.284,268 28.656,269 22.723,270 22.723,271 22.723,272 22.723,273 22.723,274 18.536,275 43.25,276 7.705,277 23.979,278 4.687,279 2.652,280 1.433,281 0.74,282 0.686,283 0.686,284 4.447,289 1,290 1535,291 3.391,294 81.382,295 631.09,298 138.542,299 338.004,302 2.658,303 32.209,306 0.75,307 0.5,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.73,314 86,315 674,316 4.639,317 3.742,318 6.942,319 4.25,320 3.3,321 4.474,322 1.2,323 11.713,324 3.134,325 4.551,326 3.434,327 6.695,328 4.108,329 3.139,330 4.351,331 1.151,332 10.856,333 3.046,334 4.282,335 3.28,336 6.537,337 3.935,338 2.965,339 3.871,340 0.86,341 10.218,342 2.874,343 3.86,344 2.935,345 6.029,346 3.595,347 2.657,348 3.249,349 0.8,350 8.5,351 2.488,352 3.839,353 2.843,354 5.807,355 3.531,356 2.586,357 3.114,358 0.8,359 8.001,360 2.438,361 3.535,362 2.638,363 5.469,364 3.306,365 2.371,366 2.735,367 0.293,368 6.955,369 2.219,370 3.378,371 2.549,372 5.315,373 3.077,374 2.119,375 2.581,377 6.653,378 2.026,379 3.304,380 2.294,381 4.962,382 2.986,383 2.029,384 2.46,386 5.733,387 1.935,388 3.03,389 2.255,390 4.785,391 2.666,392 1.719,393 2.245,395 4.72,396 1.619,397 2.966,398 2.083,399 4.56,400 2.581,401 1.626,402 2.116,404 4.491,405 1.56,406 2.91,407 1.924,408 4.412,409 2.524,410 1.582,411 1.979,413 4.201,414 1.472,415 2.776,416 1.651,417 4.036,418 2.4,419 1.421,420 1.842,422 3.464,423 1.387,424 2.689,425 1.479,426 3.887,427 2.276,428 1.316,429 1.749,431 3.118,432 1.256,433 2.509,434 1.448,435 3.82,436 2.173,437 1.281,438 1.494,440 3.102,441 1.133,442 2.26,443 1.375,444 3.414,445 1.967,446 1,447 1.177,449 2.275,450 0.965,451 18.9,452 0.473,453 0.863,454 0.022,455 50.75,456 1.269,457 22.5,458 0.563,459 28.25,460 0.706,461 38.82,462 0.97,463 42.9,464 0.58,465 40.56,466 1.014,467 9.957,468 0.249,469 9.696,470 0.242,471 0.044,473 0.349,479 0.82,480 1.536,481 0.768,482 1.202,483 0.588,484 1.011,485 1.272,486 1.095,487 0.939,488 0.874,489 0.748,490 0.849,491 1.008,492 0.948,493 0.988,494 0.931,495 0.799,496 0.942,497 0.96,498 1.146,499 1.034,500 1.17,501 1.286,502 1.131,503 0.962,504 0.951,505 1.02,506 0.937,507 1.341,508 0.98,509 0.721,510 1.126,511 1.027,512 1.142,513 0.615,514 1.122,515 1.158,516 0.943,517 1.059,518 0.972,519 0.864,520 0.994,521 1.13,522 0.945,523 1.106,524 0.997,525 0.895,526 1.049,527 6,528 0.189,529 5.111,530 2.722,531 2.383,532 1.296,533 0.831,534 0.565,535 0.352,536 0.266,537 32075,538 73782,539 2.226,540 45.9,542 28,544 1,546 3,547 2,550 1.794,551 2.143,552 3.985,553 -0.77,559 112.681,560 1.523,561 3.557,562 4.776,563 5.47,564 5.524,565 5.524,566 3.467,567 5.003,568 5.293,569 4.183,570 3262.5,571 9.306,572 58377.5,577 459.5,578 1.188,579 5.278,580 0.13,581 0.005,582 0.077,583 0.038,584 0.036,585 0.022,586 0.015,587 0.012,588 0.008,589 0.007,590 0.351,591 0.33,592 0.75,593 0.349,594 229.145,595 0.002,596 -0.335,597 0.097,598 -0.138,599 0.016,600 -0.03,601 -0.117,602 0.044,603 0.022,604 0.096,605 -0.01,606 0.084,607 0.003,608 0.135,609 -0.026,610 0.049,611 0.052,612 0.017,613 0.026,614 -0.143,615 -0.072,616 -0.155,617 -0.027,618 -0.136,619 0.065,620 0.022,621 -0.024,622 0.044,623 -0.013,624 0.004,625 0.02,626 -0.12,627 -0.065,628 -0.154,629 -0.004,630 -0.124,631 -0.076,632 0.014,633 -0.044,634 -0.01,635 -0.057,636 -0.018,637 -0.02,638 0.007,639 -0.103,640 -0.009,641 -0.051,642 -0.063,643 1.714,644 6.108,645 0.875,646 55.715,647 1,648 1.127,649 2.286,650 5.227,651 0.663,652 3.85,653 4.205,654 4.554,655 4.868,656 5.142,657 5.257,658 5.46,659 5.635,660 5.762,661 5.864,662 9.535,663 0.63,664 538.71,665 3.85,666 5.416,667 6.301,668 7.2,669 8.098,670 9.002,671 9.906,672 10.814,673 11.722,674 12.632,675 8.1,678 1,681 1,682 1,683 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,703 1,709 1,712 1,714 74,716 23,717 2,718 46,720 80,721 31,722 18,723 6,724 6,725 1,730 7,731 11,736 1,743 1,745 19,746 12,750 1,755 1,759 1,764 34,765 8,767 9,770 1,773 6,777 0.571,778 3,786 1,792 1,793 6,796 1,797 2,815 1,818 1,819 4,823 1,827 40,833 11,835 2,838 3,847 4.1,850 1,851 1,852 1,854 18.667,855 13.7,856 8.611,857 4.697,858 4.668,859 1.479,860 1.03,861 7.022,862 14.406,863 4.078,864 4.684,865 5.319,866 5.925,867 6.459,868 6.795,869 7.205,870 7.592,871 7.905,872 8.033,873 1,874 71,875 14.882,877 6.478,878 7.529,879 29.229,881 25.031,883 2.029,884 81.167,888 400.217,889 155.94,890 44.843,892 47.145,895 155.94,896 447.362,897 44.843,898 8.825,899 34.176,900 75.81,901 94.81,902 43.321,903 2.757,904 388.446,906 400.217,907 200.783,908 47.145,911 376.675,912 59.687,913 11,915 64.301,916 102.911,917 33.571,919 400.217,920 91.988,921 155.94,924 400.217,925 62.686,926 104.526,928 80.716,929 400.217,930 91.988,931 155.94,933 0.586,934 0.356,935 0.202,936 0.112,937 35,938 14,939 0.063,940 5,941 3,942 1.171,943 5.114,944 419.391,945 0.171,946 35,947 202.877,951 25.667,952 10.943,953 4.937,954 2.288,955 90.089,956 18.76,957 9.222,961 6.664,962 2.023,964 648.145,965 58,970 13.108,974 -0.047,975 73.963,976 83.431,977 0.245,978 0.573,979 0.769,980 0.881,981 0.89,982 0.89,983 5.345,984 2.029,985 6.286,986 6.653,987 4.89,988 5.373,989 2.295,990 7.138,991 4.791,992 6.539,993 1.719,994 7.865,995 5.733,996 4.443,997 5.19,998 0.766,999 8.115,1000 4.306,1001 7.852,1002 1.626,1003 9.548,1004 4.72,1005 6.518,1006 7.582,1007 2.308,1008 11.264,1009 6.328,1010 9.203,1011 1.582,1012 11.294,1013 4.491,1014 6.938,1015 8.294,1016 0.931,1017 13.098,1018 6.715,1019 10.593,1020 1.421,1021 13.081,1022 4.201,1023 8.447,1024 10.141,1025 2.459,1026 15.762,1027 8.176,1028 12.009,1029 1.316,1030 14.896,1031 3.464,1032 9.267,1033 11.263,1034 1.142,1035 17.937,1036 8.961,1037 13.446,1038 1.281,1039 16.732,1040 3.118,1041 10.554,1042 12.893,1043 2.669,1044 20.442,1045 10.203,1046 3.3,1047 1,1048 18.583,1049 3.102,1050 11.559,1051 14.206,1052 1.436,1053 22.759,1054 11.17,1055 3.139,1056 11.713,1057 20.446,1058 2.275,1059 12.76,1060 15.747,1061 2.914,1062 25.211,1063 12.329,1064 2.965,1065 10.856,1066 22.318,1067 4.474,1068 13.85,1069 17.148,1070 1.783,1071 27.589,1072 13.378,1073 2.657,1074 10.218,1075 24.198,1076 4.351,1077 15.022,1078 18.653,1079 3.181,1080 30.025,1081 14.506,1082 2.586,1083 8.5,1084 26.083,1085 3.871,1086 16.151,1087 20.096,1088 2.156,1089 32.432,1090 15.593,1091 2.371,1092 8.001,1093 27.974,1094 3.249,1095 17.315,1096 21.586,1097 3.463,1098 34.865,1099 16.713,1100 2.119,1101 6.955,1102 29.868,1103 3.114,1104 18.464,1105 23.049,1106 2.541,1107 37.287,1108 17.817,1109 28653,1110 43676,1111 32.016,1112 49.057,1113 70.258,1114 71.444,1115 71.466,1116 69.892,1117 69.876,1118 87.687,1119 10.207,1120 205.953,1121 66.372,1122 5.639,1123 5.742,1124 6.744,1125 5.359,1126 5.3,1127 7.474,1128 2.351,1129 19.421,1130 5.134,1131 12.792,1132 1.527,1133 1.553,1134 1.554,1135 1.519,1136 1.519,1137 1.906,1138 0.222,1139 4.477,1140 1.443,1141 4.121,1142 4.157,1143 4.083,1144 4.022,1145 7.428,1146 4.029,1147 4.066,1148 4.098,1149 4.033,1150 3.953,1151 5.006,1152 3.969,1153 3.839,1154 3.894,1155 3.767,1156 3.682,1157 4.969,1158 3.7,1159 3.786,1160 3.844,1161 3.681,1162 3.593,1163 4.649,1164 3.605,1165 3.682,1166 3.733,1167 3.589,1168 3.496,1169 4.609,1170 3.511,1171 3.515,1172 3.568,1173 3.411,1174 3.412,1175 4.44,1176 3.404,1177 3.332,1178 3.403,1179 3.189,1180 3.183,1181 4.303,1182 3.172,1183 3.177,1184 3.206,1185 3.093,1186 2.953,1187 4.277,1188 2.946,1189 0.101,1190 0.081,1191 0.151,1192 0.092,1193 0.072,1194 4.639,1195 0.097,1196 3.742,1197 0.026,1198 6.942,1199 0.255,1200 4.25,1201 0.068,1202 3.3,1203 4.474,1204 1.2,1205 11.713,1206 3.134,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.959,1214 1.935,1215 2.056,1216 2.08,1217 1.254,1218 2.071,1219 1.752,1220 1.69,1221 1.942,1222 1.976,1223 1.197,1224 1.966,1225 1.724,1226 1.668,1227 1.92,1228 1.954,1229 1.164,1230 1.949,1231 1.537,1232 1.491,1233 1.737,1234 1.706,1235 0.973,1236 1.714,1237 1.505,1238 1.461,1239 1.686,1240 1.653,1241 0.825,1242 1.671,1243 1.37,1244 1.31,1245 1.593,1246 1.59,1247 0.825,1248 1.579,1249 1.261,1250 1.197,1251 1.513,1252 1.485,1253 0.814,1254 1.488,1255 4.533,1257 5.878,1258 2.398,1259 7.432,1260 4.727,1261 9.08,1262 6.862,1263 10.778,1265 2.041,1271 8.58,1273 11.691,1276 6.837,1280 46.648,1281 112.681,1282 263.222,1283 353.442,1284 404.745,1285 408.745,1286 408.745,1287 58.304,1288 9.738,1289 75.96,1290 75.96,1291 41,1292 13.148,1293 4.585,1294 3.7,1295 52.783,1296 232,1297 220,1298 0.109,1299 276.932,1300 478.07,1301 667.475,1302 324671,1304 27.053,1305 0.676,1306 0.572,1307 27.053,1308 22.882,1309 19.653,1310 0.427,1311 0.308,1312 13.945,1313 18.799,1314 13.667,1315 11.157,1316 19.653,1317 14.175,1318 17.717,1319 0.268,1320 0.163,1321 17.717,1322 10.744,1323 16.061,1324 0.171,1325 0.088,1326 16.061,1327 8.314,1328 14.058,1329 0.109,1330 0.047,1331 14.058,1332 6.086,1333 11.865,1334 0.07,1335 0.026,1336 11.865,1337 4.384,1338 0.177,1339 123.566,1340 0.177,1341 36.491,1342 0.282,1343 224,1344 601.077,1345 246.124,1346 572.228,1347 804.61,1348 544,1349 272,1350 606.629,1351 297.676,1352 610.125,1353 910.56,1354 577,1355 9.801} {0 CHEMBL1242904,1 1.439,2 13.375,3 4.137,4 17.111,5 126.541,6 7.213,7 0.595,8 4.192,9 4.315,10 3.764,11 3.745,12 5.189,13 3.723,14 4.765,15 4.95,16 4.14,17 4.161,18 5.697,19 4.124,20 5.011,21 5.227,22 4.203,23 4.337,24 5.89,25 4.262,26 5.09,27 5.309,28 4.121,29 4.381,30 5.911,31 4.262,32 5.149,33 5.411,34 3.983,35 4.341,36 5.886,37 4.19,38 5.062,39 5.334,40 3.861,41 4.222,42 5.785,43 4.062,44 4.952,45 5.227,46 3.725,47 4.062,48 5.678,49 3.914,50 4.795,51 5.055,52 3.617,53 3.96,54 5.515,55 3.811,56 0.033,57 0.904,58 12.602,59 5.255,60 7.88,61 7.175,62 0.234,63 1.537,64 24.707,65 8.583,66 20.222,67 12.06,68 0.424,69 1.881,70 32.758,71 11.392,72 30.321,73 16.285,74 0.255,75 1.925,76 35.47,77 14.219,78 28.819,79 19.758,80 0.379,81 1.974,82 39.587,83 14.842,84 33.32,85 21.347,86 0.273,87 1.831,88 36.258,89 13.459,90 28.742,91 19.707,92 0.355,93 1.614,94 33.228,95 11.361,96 30.646,97 16.52,98 0.334,99 1.393,100 27.857,101 9.965,102 22.636,103 14.354,104 2,105 53,106 0.231,107 0.557,108 0.743,109 0.85,110 0.861,111 0.861,112 3.502,113 0.922,114 -4.18,115 -4.13,116 -3.9,119 44.1,120 1,121 1,125 6,140 8,141 2,142 3,143 1,144 2,149 1,159 1,169 8,171 1,172 9,178 8,181 3,182 10,189 6,192 1,193 8,199 6,202 1,203 6,211 2,214 1,215 7,222 1,225 1,226 3,233 2,236 2,237 1,244 4,248 1,249 3,256 6,259 1634,260 22.378,261 22.378,262 22.378,263 22.378,264 22.378,265 19.78,266 26.703,267 13.067,268 22.941,269 18.295,270 18.295,271 18.295,272 18.295,273 18.295,274 14.355,275 32.787,276 6.18,277 19.232,278 4.444,279 2.412,280 1.254,281 0.589,282 0.521,283 0.521,284 4.23,288 1,289 1,290 984,291 2.739,294 66.059,295 390.4,298 110.266,299 258.748,302 2.016,303 16.33,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67.5,315 428,316 4.555,317 3.458,318 6.808,319 4.154,320 3.211,321 4.474,322 1.151,323 11.25,324 3.046,325 4.551,326 3.28,327 6.695,328 4.108,329 3.139,330 4.252,331 0.8,332 10.856,333 3.03,334 4.036,335 2.921,336 6.08,337 3.634,338 2.687,339 3.622,340 0.8,341 8.75,342 2.541,343 3.855,344 2.823,345 5.807,346 3.559,347 2.618,348 3.249,350 8.001,351 2.457,352 3.535,353 2.631,354 5.338,355 3.301,356 2.366,357 2.736,359 6.901,360 2.214,361 3.352,362 2.275,363 5.158,364 3.011,365 2.048,366 2.575,368 5.968,369 1.968,370 3.251,371 2.255,372 4.961,373 2.895,374 1.935,375 2.446,377 5.725,378 1.856,379 3.028,380 2.04,381 4.561,382 2.581,383 1.631,384 2.243,386 4.503,387 1.562,388 2.941,389 1.649,390 4.431,391 2.536,392 1.586,393 2.105,395 4.217,396 1.485,397 2.779,398 1.477,399 4.036,400 2.4,401 1.419,402 1.848,404 3.464,405 1.388,406 2.689,407 1.421,408 3.836,409 2.285,410 1.313,411 1.751,413 3.077,414 1.27,415 2.424,416 1.162,417 3.452,418 1.983,419 1.041,420 1.396,422 2.374,423 0.976,424 2.256,425 1.146,426 3.414,427 1.967,428 1,429 1.166,431 2.275,432 0.965,433 2,434 0.903,435 3.377,436 1.821,437 0.848,438 1,440 2.028,441 0.823,442 1.956,443 0.753,444 3.29,445 1.619,446 0.662,447 0.836,449 1.663,450 0.631,451 15.333,452 0.479,453 0.671,454 0.021,455 43.25,456 1.352,457 21,458 0.656,459 22.25,460 0.695,461 27.447,462 0.858,463 33.267,464 0.564,465 30.212,466 0.944,467 8.42,468 0.263,469 7.339,470 0.229,471 0.033,473 0.339,479 0.895,480 1.449,481 0.78,482 1.125,483 0.779,484 0.97,485 1.378,486 1.124,487 0.925,488 0.9,489 0.954,490 0.862,491 1.155,492 0.904,493 1.035,494 0.901,495 0.955,496 0.934,497 0.998,498 1.135,499 1.081,500 1.199,501 0.921,502 1.168,503 0.912,504 0.97,505 1.032,506 1.016,507 0.959,508 1.04,509 0.705,510 1.054,511 1.013,512 1.098,513 0.899,514 1.088,515 1.221,516 0.941,517 1.084,518 0.971,519 1.223,520 1.007,521 1.074,522 0.969,523 1.119,524 1.032,525 1.013,526 1.078,527 5,528 0.123,529 4,530 1.813,531 1.787,532 0.868,533 0.542,534 0.353,535 0.218,536 0.179,537 17262,538 37850,539 2.25,540 45.8,542 20,543 1,544 1,546 3,547 2,550 1.738,551 2.182,552 3.667,553 -0.805,555 1,559 84.873,560 1.439,561 3.471,562 4.629,563 5.294,564 5.361,565 5.361,566 3.061,567 4.75,568 4.977,569 3.864,570 1916.74,571 8.665,572 28707.2,574 1,577 347.076,578 1.11,579 4.962,580 0.135,581 0.005,582 0.075,583 0.033,584 0.036,585 0.021,586 0.015,587 0.011,588 0.008,589 0.007,590 0.347,591 0.5,592 0.88,593 0.313,594 170.143,595 0.035,596 -0.297,597 0.1,598 -0.112,599 0.065,600 -0.019,601 -0.105,602 0.001,603 0.035,604 0.052,605 0.028,606 0.059,607 -0.008,608 0.175,609 -0.063,610 0.053,611 0.034,612 0.006,613 -0.032,614 -0.166,615 -0.126,616 -0.182,617 0.001,618 -0.17,619 -0.02,620 -0.037,621 -0.045,622 -0.016,623 -0.075,624 -0.033,625 0.033,626 -0.112,627 -0.03,628 -0.109,629 -0.067,630 -0.081,631 -0.101,632 0.008,633 -0.064,634 -0.01,635 -0.192,636 -0.03,637 -0.019,638 -0.013,639 -0.118,640 -0.056,641 -0.112,642 -0.095,643 0.963,644 2.587,645 0.906,646 31.5,647 0.992,648 1.123,649 2.953,650 8.722,651 0.676,652 3.638,653 3.989,654 4.331,655 4.644,656 4.905,657 4.997,658 5.153,659 5.288,660 5.366,661 5.416,662 7.868,663 0.638,664 425.58,665 3.638,666 5.198,667 6.08,668 6.976,669 7.87,670 8.77,671 9.667,672 10.568,673 11.467,674 12.369,675 8.5,678 1,681 1,683 1,685 2,687 2,688 10,689 2,693 6,694 1,695 22,709 1,712 1,714 59,716 22,717 2,718 37,720 64,721 26,722 18,723 6,724 6,730 6,731 10,736 1,743 1,745 18,746 8,761 1,764 27,765 5,767 6,770 1,773 5,777 0.5,778 1,786 1,792 1,793 5,796 1,797 2,815 1,819 3,823 1,827 32,833 7,835 1,838 2,847 1.7,852 1,854 14.667,855 11,856 6.861,857 3.725,858 4.428,859 1.499,860 1.048,861 5.087,862 13.295,863 3.892,864 4.525,865 5.166,866 5.786,867 6.316,868 6.618,869 7.001,870 7.358,871 7.631,872 7.642,873 0.889,874 55,875 11.842,877 5.101,878 7.417,879 23.501,881 20.129,883 1.917,884 61.333,887 1,888 317.82,889 144.13,890 41.719,892 11,895 144.13,896 328.82,897 41.719,898 8.825,899 17.655,900 84.857,901 47.67,902 49.611,903 11.771,904 294.278,906 317.82,907 185.849,908 11,911 294.278,912 34.542,915 47.78,916 104.497,917 33.571,919 317.82,920 52.719,921 144.13,924 317.82,925 41.4,926 110.878,928 44.571,929 317.82,930 52.719,931 144.13,933 0.586,934 0.355,935 0.203,936 0.111,937 29,938 11,939 0.063,940 4,941 3,942 1.207,943 4.484,944 308.088,945 0.207,946 29,947 152,951 19.776,952 8.231,953 3.693,954 2.332,955 50.82,956 21.078,957 9.082,961 6.72,962 2.141,964 514.668,965 48,975 58.556,976 66.268,977 0.245,978 0.59,979 0.787,980 0.9,981 0.911,982 0.911,983 5.145,984 1.631,985 6.061,986 5.725,987 4.673,988 5.212,989 1.717,990 6.903,991 4.576,992 6.346,993 1.586,994 7.632,995 4.503,996 4.205,997 4.997,998 0.57,999 7.854,1000 4.05,1001 7.658,1002 1.419,1003 9.304,1004 4.217,1005 6.29,1006 7.445,1007 1.692,1008 10.99,1009 6.096,1010 9.009,1011 1.313,1012 11.039,1013 3.464,1014 6.686,1015 8.122,1016 0.479,1017 12.803,1018 6.433,1019 10.396,1020 1.041,1021 12.816,1022 3.077,1023 8.2,1024 10.004,1025 1.822,1026 15.449,1027 7.912,1028 11.808,1029 1,1030 14.621,1031 2.374,1032 8.999,1033 11.101,1034 0.346,1035 17.607,1036 8.656,1037 13.24,1038 0.848,1039 16.446,1040 2.275,1041 10.284,1042 12.75,1043 2.014,1044 20.093,1045 9.906,1046 3.211,1047 0.662,1048 18.287,1049 2.028,1050 11.272,1051 14.047,1052 0.237,1053 22.392,1054 10.843,1055 3.139,1056 11.25,1057 20.141,1058 1.663,1059 12.468,1060 15.597,1061 2.237,1062 24.824,1063 12,1064 2.687,1065 10.856,1066 22.003,1067 4.474,1068 13.543,1069 16.989,1070 0.158,1071 27.182,1072 13.027,1073 2.618,1074 8.75,1075 23.874,1076 4.252,1077 14.705,1078 18.497,1079 2.479,1080 29.595,1081 14.149,1082 2.366,1083 8.001,1084 25.75,1085 3.622,1086 15.82,1087 19.934,1088 0.104,1089 31.979,1090 15.218,1091 2.048,1092 6.901,1093 27.632,1094 3.249,1095 16.972,1096 21.425,1097 2.733,1098 34.387,1099 16.328,1100 1.935,1101 5.968,1102 29.518,1103 2.736,1104 18.107,1105 22.885,1106 0.068,1107 36.783,1108 17.417,1109 15349,1110 22889,1111 25.948,1112 39.858,1113 56.296,1114 56.16,1115 57.028,1116 56.014,1117 56.022,1118 72.584,1119 5.502,1120 164.536,1121 53.341,1122 5.555,1123 5.458,1124 6.345,1125 5.264,1126 5.211,1127 7.474,1128 2.302,1129 18.664,1130 5.046,1131 7.936,1132 1.522,1133 1.518,1134 1.541,1135 1.514,1136 1.514,1137 1.962,1138 0.149,1139 4.447,1140 1.442,1141 4.109,1142 4.145,1143 4.067,1144 4.019,1145 5.031,1146 4.025,1147 4.057,1148 4.091,1149 4.022,1150 3.94,1151 4.976,1152 3.955,1153 3.814,1154 3.883,1155 3.717,1156 3.632,1157 4.66,1158 3.647,1159 3.703,1160 3.753,1161 3.626,1162 3.559,1163 4.44,1164 3.569,1165 3.514,1166 3.568,1167 3.411,1168 3.413,1169 4.295,1170 3.405,1171 3.325,1172 3.399,1173 3.175,1174 3.178,1175 4.275,1176 3.166,1177 3.147,1178 3.206,1179 3.018,1180 2.953,1181 3.972,1182 2.945,1183 3.111,1184 3.192,1185 2.933,1186 2.941,1187 3.828,1188 2.92,1189 0.123,1190 0.093,1191 0.184,1192 0.112,1193 0.087,1194 4.555,1195 0.121,1196 3.458,1197 0.031,1198 6.808,1199 0.304,1200 4.154,1201 0.082,1202 3.211,1203 4.474,1204 1.151,1205 11.25,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.955,1214 1.931,1215 2.054,1216 2.077,1217 1.251,1218 2.069,1219 1.747,1220 1.677,1221 1.939,1222 1.959,1223 1.163,1224 1.958,1225 1.53,1226 1.48,1227 1.736,1228 1.699,1229 0.945,1230 1.709,1231 1.472,1232 1.418,1233 1.672,1234 1.644,1235 0.825,1236 1.661,1237 1.377,1238 1.32,1239 1.573,1240 1.582,1241 0.807,1242 1.582,1243 1.303,1244 1.237,1245 1.534,1246 1.492,1247 0.744,1248 1.516,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.55,1254 1.429,1255 4.317,1257 5.659,1258 2.398,1259 7.21,1260 4.595,1261 8.858,1262 6.605,1263 10.557,1265 2.05,1271 6.776,1273 6.087,1276 5.068,1280 37.617,1281 84.873,1282 204.76,1283 273.102,1284 312.321,1285 316.321,1286 316.321,1287 35.709,1288 8.867,1289 46.42,1290 46.42,1291 35,1292 12.89,1293 4.524,1294 3.585,1295 41.726,1296 156,1297 136,1298 0.13,1299 224.505,1300 377.99,1301 539.551,1302 113032,1304 21.493,1305 0.672,1306 0.574,1307 21.493,1308 18.368,1309 15.759,1310 0.426,1311 0.307,1312 11.223,1313 15.204,1314 10.964,1315 9,1316 15.759,1317 11.371,1318 14.246,1319 0.269,1320 0.163,1321 14.246,1322 8.643,1323 12.815,1324 0.171,1325 0.089,1326 12.815,1327 6.657,1328 11.315,1329 0.11,1330 0.048,1331 11.315,1332 4.929,1333 9.492,1334 0.071,1335 0.027,1336 9.492,1337 3.561,1338 0.21,1339 98.05,1340 0.196,1341 30.264,1342 0.34,1343 180,1344 437.961,1345 194.617,1346 427.56,1347 614.36,1348 408,1349 218,1350 477.539,1351 235.224,1352 483.043,1353 717.42,1354 458,1355 10} {0 CHEMBL125745,1 1.642,2 8.286,3 2.908,4 8.456,5 83.688,6 8.119,7 0.696,8 3.714,9 3.812,10 3.549,11 3.362,12 4.783,13 3.301,14 4.234,15 4.367,16 3.843,17 3.757,18 5.541,19 3.676,20 4.475,21 4.656,22 3.941,23 3.893,24 5.626,25 3.781,26 4.535,27 4.7,28 3.889,29 3.848,30 5.832,31 3.765,32 4.493,33 4.687,34 3.66,35 3.737,36 5.72,37 3.637,38 4.372,39 4.594,40 3.429,41 3.613,42 5.482,43 3.481,44 4.215,45 4.45,46 3.117,47 3.405,48 5.233,49 3.247,50 3.945,51 4.179,52 2.784,53 3.113,54 5.166,55 2.947,56 0.083,57 0.546,58 9.663,59 3.718,60 16.861,61 4.236,62 0.258,63 0.867,64 13.972,65 6.169,66 42.598,67 7.399,68 0.127,69 1.081,70 23.029,71 8.964,72 29.214,73 10.253,74 0.228,75 1.094,76 24.314,77 8.918,78 51.554,79 9.681,80 0.283,81 1.036,82 22.032,83 7.945,84 57.062,85 9.151,86 0.234,87 0.931,88 20.888,89 7.537,90 44.036,91 9.137,92 0.239,93 0.766,94 18.407,95 6.387,96 48.423,97 7.894,98 0.237,99 0.57,100 13.822,101 5.022,102 52.217,103 6.305,104 12,105 33,106 0.292,107 0.573,108 0.694,109 0.812,110 0.851,111 0.851,112 3.105,113 1.067,114 -3.45,115 -3.43,116 -3.28,119 43.2,121 1,125 1,140 9,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 10,171 3,172 3,176 1,178 11,180 1,182 8,186 1,189 8,191 1,193 14,197 2,199 2,201 2,203 7,208 2,211 6,213 2,215 4,217 1,218 1,220 1,222 10,224 1,233 11,239 2,240 2,244 6,254 2,256 2,258 2,259 531,260 14.247,261 14.247,262 14.247,263 14.247,264 14.247,265 12.16,266 6.299,267 8.473,268 14.466,269 11.317,270 11.317,271 11.317,272 11.317,273 11.317,274 8.131,275 2.827,276 3.883,277 11.696,278 3.568,279 1.993,280 1.312,281 0.649,282 0.432,283 0.432,284 3.78,287 1,288 1,289 1,290 370,291 3.24,294 40.887,295 114.675,298 78.283,302 1.279,303 26.086,304 1,305 1,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 45,315 174,316 5.025,317 4.721,318 7.737,319 4.502,320 3.571,321 4.976,323 13.995,324 3.316,325 4.468,326 3.166,327 6.614,328 3.974,329 2.997,330 4.355,332 10.44,333 2.909,334 3.683,335 2.49,336 5.747,337 3.249,338 2.277,339 3.183,341 7.295,342 2.207,343 3.435,344 1.983,345 5.005,346 2.929,347 1.934,348 2.831,350 5.297,351 1.922,352 3.048,353 1.561,354 4.254,355 2.545,356 1.549,357 2.322,359 3.726,360 1.543,361 2.738,362 1.514,363 4.083,364 2.295,365 1.325,366 1.837,368 3.353,369 1.279,370 2.555,371 1.241,372 3.541,373 2.106,374 1.129,375 1.542,377 2.543,378 1.1,379 2.5,380 1,381 3.406,382 2,383 1,384 1.5,386 2.264,387 1,388 2.385,389 1,390 3.247,391 1.979,392 1,393 1.351,395 2.136,396 0.977,397 1.989,398 0.761,399 3.077,400 1.611,401 0.639,402 0.848,404 1.324,405 0.62,406 1.052,407 0.1,408 2.732,409 0.739,410 -0.234,411 -0.28,413 -0.428,414 -0.227,415 1,416 -0.031,417 2.461,418 0.232,419 -0.727,420 -1.005,422 -1.633,423 -0.677,424 0.736,425 -0.802,426 2.341,427 0.16,428 -0.835,429 -1.1,431 -1.771,432 -0.829,433 0.628,434 -0.864,435 2,436 0.058,437 -0.912,438 -1.239,440 -2.269,441 -0.885,442 0.5,443 -1,444 2,446 -1,447 -1.5,449 -2.347,450 -1,451 10.3,452 0.49,453 0.53,454 0.025,455 29.75,456 1.417,457 17,458 0.81,459 12.75,460 0.607,461 13.726,462 0.654,463 22.1,464 0.597,465 21.189,466 1.009,467 5.799,468 0.276,469 4.343,470 0.207,471 0.104,472 0.081,473 0.233,479 0.508,480 1.17,481 0.835,482 1.151,483 0.73,484 0.882,485 0.55,486 1.014,487 0.817,488 0.902,489 0.604,490 0.934,491 0.874,492 1.046,493 1.064,494 1.09,495 0.765,496 0.914,497 1.527,498 1.15,499 1.208,500 1.164,501 1.466,502 1.016,503 1.546,504 1.025,505 1.097,506 0.981,507 1.481,508 1.032,509 1.044,510 0.932,511 1.094,512 1.021,513 1.02,514 1.029,515 1.18,516 0.886,517 1.102,518 0.989,519 1.249,520 1.056,521 0.858,522 0.949,523 1.092,524 1.054,525 0.936,526 1.139,527 4,528 0.021,529 3.333,530 2,531 1.312,532 0.761,533 0.43,534 0.177,535 0.053,536 0.026,537 3866,538 10619,539 2.062,540 43.2,542 11,543 1,545 2,547 2,550 1.637,551 1.924,552 3.028,553 0.331,554 1,555 1,557 1,559 60.75,560 1.642,561 3.216,562 3.898,563 4.561,564 4.777,565 4.777,566 2.529,567 3.916,568 4.361,569 3.112,570 653.575,571 7.499,572 6636.98,573 1,574 1,575 1,576 1,577 192.75,578 1.565,579 4.311,580 0.174,581 0.007,582 0.101,583 0.057,584 0.039,585 0.028,586 0.02,587 0.012,588 0.005,589 0.004,590 0.446,591 0.33,592 1,593 1.029,594 92.669,595 0.119,596 -0.032,597 0.236,598 -0.04,599 -0.185,600 0.061,601 0.326,602 0.055,603 0.083,604 0.065,605 0.197,606 -0.015,607 -0.002,608 -0.019,609 0.085,610 0.02,611 0.074,612 0.079,613 -0.17,614 -0.153,615 -0.113,616 -0.12,617 -0.055,618 -0.077,619 -0.248,620 -0.047,621 -0.159,622 -0.053,623 -0.154,624 -0.106,625 -0.087,626 0.037,627 -0.125,628 -0.059,629 -0.068,630 -0.052,631 -0.169,632 0.033,633 -0.143,634 -0.032,635 -0.199,636 -0.064,637 0.131,638 -0.051,639 -0.163,640 -0.113,641 0.131,642 -0.142,643 4.485,644 5.716,645 0.714,646 14.204,647 1.003,648 1.115,649 2.223,650 4.94,651 0.7,652 3.178,653 3.526,654 3.85,655 4.127,656 4.304,657 4.369,658 4.466,659 4.511,660 4.394,661 4.331,662 4.794,663 0.658,664 300.41,665 3.178,666 4.727,667 5.602,668 6.509,669 7.409,670 8.326,671 9.236,672 10.157,673 11.072,674 11.995,675 5.4,676 1,683 1,687 2,688 10,693 2,694 1,695 16,714 37,716 18,717 2,718 23,720 39,721 16,722 14,723 4,724 8,730 3,731 4,736 1,743 1,745 14,746 2,750 2,753 1,755 2,760 1,761 1,764 16,765 3,766 2,767 5,768 1,773 2,777 0.667,778 2,788 1,792 1,793 2,796 1,812 1,819 2,821 1,827 21,828 1,830 1,833 2,847 5.4,850 2,854 10.917,855 6.367,856 4.667,857 2.108,858 3.104,859 1.459,860 1.033,861 3.64,862 9.872,863 3.526,864 4.216,865 4.872,866 5.507,867 6.023,868 6.368,869 6.768,870 7.114,871 7.215,872 7.498,873 0.833,874 35,875 7.994,877 3.676,878 7.909,879 14.81,881 12.531,883 2.409,884 50.583,888 164.795,889 114.235,890 33.191,892 44.313,894 5.807,895 108.427,896 209.108,897 33.191,899 37.537,900 100.141,901 44.313,902 7.603,903 13.915,904 153.024,906 164.795,907 141.618,908 44.313,909 5.807,911 141.253,912 67.855,915 37.831,916 103.787,917 5.807,919 164.795,920 77.503,921 114.235,923 5.807,924 164.795,925 14.094,926 94.627,928 77.21,929 164.795,930 77.503,931 114.235,933 0.578,934 0.355,935 0.201,936 0.106,937 17,938 7,939 0.103,940 4,941 1,942 1.133,943 3.222,944 167.692,945 0.133,946 15,947 86.239,950 1,951 14.021,952 5.451,953 2.401,954 1.618,955 77.21,956 17.543,961 1.351,962 1.331,963 32.897,964 356.534,965 33,968 -3.569,970 25.433,975 37.12,976 41.242,977 0.315,978 0.617,979 0.748,980 0.875,981 0.917,982 0.917,983 4.754,984 1,985 5.631,986 2.543,987 4.205,988 4.902,990 6.561,991 4.134,992 6.021,993 1,994 7.273,995 2.264,996 4.007,997 5.037,999 7.96,1000 3.83,1001 7.4,1002 0.639,1003 9.047,1004 2.136,1005 5.948,1006 7.346,1008 11.089,1009 5.764,1010 8.836,1011 -0.234,1012 10.904,1013 1.324,1014 6.648,1015 8.364,1017 13.319,1018 6.34,1019 10.315,1020 -0.727,1021 12.813,1022 -0.428,1023 8.106,1024 10.181,1026 16.073,1027 7.775,1028 11.826,1029 -0.835,1030 14.757,1031 -1.633,1032 9.155,1033 11.545,1035 18.565,1036 8.712,1037 13.36,1038 -0.912,1039 16.725,1040 -1.771,1041 10.464,1042 13.203,1044 21.227,1045 9.974,1046 3.571,1047 -1,1048 18.709,1049 -2.269,1050 11.644,1051 14.701,1053 23.808,1054 11.056,1055 2.997,1056 13.995,1057 20.705,1058 -2.347,1059 12.91,1060 16.308,1062 26.448,1063 12.26,1064 2.277,1065 10.44,1066 22.711,1067 4.976,1068 14.139,1069 17.858,1071 29.061,1072 13.401,1073 1.934,1074 7.295,1075 24.724,1076 4.355,1077 15.398,1078 19.45,1080 31.697,1081 14.588,1082 1.549,1083 5.297,1084 26.743,1085 3.183,1086 16.646,1087 21.024,1089 34.324,1090 15.753,1091 1.325,1092 3.726,1093 28.766,1094 2.831,1095 17.906,1096 22.613,1098 36.959,1099 16.937,1100 1.129,1101 3.353,1102 30.793,1103 2.322,1104 19.164,1105 24.198,1107 39.592,1108 18.114,1109 3844,1110 6510,1111 15.197,1112 25.898,1113 34.956,1114 35.372,1115 36.031,1116 34.902,1117 34.842,1118 49.491,1120 104.746,1121 33.748,1122 5.791,1123 6.721,1124 7.539,1125 5.556,1126 5.571,1127 7.976,1129 22.423,1130 5.316,1131 9.275,1132 1.52,1133 1.538,1134 1.567,1135 1.517,1136 1.515,1137 2.152,1139 4.554,1140 1.467,1141 4.228,1142 4.23,1143 4.777,1144 4.182,1145 7.716,1146 4.133,1147 3.938,1148 3.945,1149 3.989,1150 3.911,1151 6.999,1152 3.875,1153 3.641,1154 3.676,1155 3.672,1156 3.552,1157 5.017,1158 3.501,1159 3.452,1160 3.498,1161 3.353,1162 3.29,1163 4.876,1164 3.261,1165 3.271,1166 3.295,1167 3.179,1168 3.174,1169 4.711,1170 3.152,1171 2.902,1172 2.994,1173 2.756,1174 2.735,1175 4.231,1176 2.715,1177 2.854,1178 2.925,1179 2.687,1180 2.707,1181 3.785,1182 2.705,1183 2.615,1184 2.682,1185 2.496,1186 2.464,1187 3.674,1188 2.443,1189 0.218,1190 0.205,1191 0.336,1192 0.196,1193 0.155,1194 5.025,1195 0.216,1196 4.721,1198 7.737,1199 0.608,1200 4.502,1201 0.144,1202 3.571,1203 4.976,1205 13.995,1206 3.316,1207 2.008,1208 2.01,1209 2.06,1210 2.082,1211 1.29,1212 2.11,1213 1.922,1214 1.907,1215 1.995,1216 1.987,1217 1.171,1218 2.011,1219 1.601,1220 1.584,1221 1.733,1222 1.768,1223 0.911,1224 1.783,1225 1.431,1226 1.358,1227 1.601,1228 1.657,1229 0.757,1230 1.677,1231 1.22,1232 1.21,1233 1.215,1234 1.349,1235 0.454,1236 1.388,1237 0.892,1238 0.848,1239 1.181,1240 1.119,1241 0.218,1242 1.148,1243 0.886,1244 0.821,1245 1.167,1246 1.062,1247 0.217,1248 1.107,1249 0.788,1250 0.69,1251 1.053,1252 1.038,1253 0.168,1254 1.056,1255 3.85,1257 5.187,1258 2.398,1259 6.746,1260 4.727,1261 8.406,1262 6.88,1263 10.118,1269 5.61,1271 1.266,1280 24.347,1281 60.75,1282 119.001,1283 144.22,1284 168.75,1285 176.75,1286 176.75,1287 39.172,1288 6.767,1289 65.09,1290 73.47,1291 17,1292 12.503,1293 4.248,1294 3.459,1295 31.997,1296 59,1297 68,1298 0.276,1299 154.288,1300 255.19,1301 368.223,1302 6642,1304 14.872,1305 0.708,1306 0.584,1307 15.122,1308 12.254,1309 10.142,1310 0.441,1311 0.356,1312 6.803,1313 9.127,1314 6.542,1315 5.434,1316 10.931,1317 8.18,1318 9.148,1319 0.277,1320 0.201,1321 10.448,1322 6.633,1323 7.868,1324 0.171,1325 0.113,1326 9.196,1327 5.205,1328 6.731,1329 0.11,1330 0.063,1331 7.964,1332 3.863,1333 5.164,1334 0.071,1335 0.037,1336 6.268,1337 2.669,1338 0.412,1339 70.609,1340 0.257,1341 20.321,1342 0.818,1343 112,1344 315.289,1345 159.637,1346 330.809,1347 454.5,1348 304,1349 135,1350 311.513,1351 192.177,1352 354.74,1353 523.5,1354 334,1355 8.347} {0 CHEMBL1258223,1 1.569,2 12.407,3 3.962,4 15.697,5 107.683,6 7.089,7 0.207,8 4.108,9 4.226,10 3.626,11 3.568,12 5.073,13 3.54,14 4.722,15 4.914,16 3.977,17 3.968,18 5.656,19 3.911,20 4.982,21 5.207,22 4.134,23 4.139,24 5.881,25 4.052,26 5.038,27 5.264,28 4.144,29 4.124,30 6.019,31 4.028,32 5.002,33 5.235,34 4.091,35 4.054,36 6.033,37 3.951,38 4.879,39 5.108,40 3.776,41 3.973,42 5.818,43 3.836,44 4.857,45 5.11,46 3.603,47 3.876,48 5.743,49 3.722,50 4.708,51 4.958,52 3.601,53 3.761,54 5.522,55 3.633,56 0.029,57 0.756,58 13.062,59 5.456,60 5.706,61 7.38,62 0.398,63 1.196,64 26.955,65 8.864,66 32.037,67 12.443,68 0.536,69 1.426,70 37.342,71 11.743,72 38.047,73 16.641,74 0.777,75 1.408,76 41.168,77 12.268,78 63.162,79 17.072,80 1.003,81 1.315,82 43.383,83 11.604,84 78.203,85 16.193,86 0.541,87 1.203,88 34.435,89 10.928,90 52.411,91 15.049,92 0.578,93 1.108,94 35.682,95 10.461,96 59.122,97 14.541,98 0.438,99 0.987,100 29.182,101 8.771,102 37.618,103 12.285,104 23,105 39,106 0.264,107 0.518,108 0.75,109 0.816,110 0.839,111 0.851,112 3.339,113 1.056,114 -3.87,115 -3.83,116 -3.63,119 35.7,120 1,121 4,122 1,124 1,125 6,140 1,141 1,142 4,156 1,169 5,171 1,172 7,178 3,181 1,182 8,184 1,186 2,189 1,192 2,193 4,195 1,197 1,199 3,202 3,203 5,211 6,215 1,218 2,222 5,225 1,226 5,233 2,237 4,242 1,244 2,248 1,249 2,254 2,256 1,259 1163,260 18.499,261 18.499,262 18.499,263 18.499,264 18.499,265 17.603,266 24.925,267 11.139,268 19.155,269 14.202,270 14.202,271 14.202,272 14.202,273 14.202,274 12.636,275 28.397,276 5.128,277 15.23,278 4.238,279 2.726,280 1.344,281 0.947,282 0.813,283 0.741,284 4.023,285 1,288 1,289 1,290 707,291 3.536,295 238.19,299 125.272,302 1.874,303 31.083,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 59.333,315 335,316 4.599,317 3.734,318 6.873,319 4.198,320 3.247,321 4.32,322 1.674,323 11.458,324 3.078,325 3.941,326 3.39,327 6.146,328 3.642,329 2.685,330 3.313,331 0.86,332 8.784,333 2.568,334 3.655,335 2.885,336 5.527,337 3.552,338 2.595,339 2.834,340 0.86,341 7.396,342 2.473,343 3.544,344 2.872,345 5.478,346 3.181,347 2.277,348 2.653,349 0.8,350 6.855,351 2.088,352 3.224,353 2.416,354 5.132,355 3.12,356 2.188,357 2.25,358 0.4,359 6.37,360 1.952,361 2.974,362 2.316,363 4.636,364 2.569,365 1.647,366 2.036,368 4.562,369 1.487,370 2.5,371 1.925,372 3.766,373 2.409,374 1.433,375 1.499,377 3.077,378 1.397,379 2.427,380 1.68,381 3.724,382 2.324,383 1.408,384 1.425,386 2.684,387 1.258,388 2.098,389 1.551,390 3.486,391 1.984,392 1.05,393 1.083,395 2.505,396 0.983,397 2,398 1.388,399 3.418,400 1.897,401 1,402 1,404 2.275,405 0.882,406 1.906,407 1.242,408 3.414,409 1.699,410 0.821,411 0.865,413 1.816,414 0.697,415 1.722,416 1.077,417 2.962,418 1.459,419 0.503,420 0.565,422 1.027,423 0.466,424 1.305,425 0.474,426 2.595,427 1.21,428 0.245,429 0.257,431 0.419,432 0.233,433 1.04,434 0.442,435 2.5,436 0.737,437 -0.135,438 -0.15,440 -0.233,441 -0.103,442 0.803,443 0.079,444 2.386,445 0.567,446 -0.406,447 -0.424,449 -0.796,450 -0.381,451 12.848,452 0.476,453 0.537,454 0.02,455 26.75,456 0.991,457 9,458 0.333,459 17.75,460 0.657,461 28.961,462 1.073,463 32.152,464 0.574,465 18.885,466 0.699,467 4.899,468 0.181,469 8.236,470 0.305,471 0.159,473 0.304,479 0.799,480 1.585,481 0.724,482 1.285,483 0.595,484 1.133,485 1.054,486 1.109,487 0.801,488 0.943,489 0.635,490 0.936,491 0.855,492 1.067,493 0.798,494 0.997,495 0.643,496 0.937,497 0.99,498 1.055,499 0.874,500 1.003,501 1.053,502 0.965,503 0.978,504 0.886,505 1.015,506 0.989,507 1.046,508 0.94,509 1.12,510 1.061,511 1.057,512 1.098,513 1.654,514 1.127,515 1.204,516 0.92,517 1.129,518 0.998,519 1.64,520 1.012,521 1.215,522 0.933,523 0.921,524 0.874,525 1.151,526 0.909,527 4.5,528 0.128,529 3.111,530 1.688,531 1.76,532 0.965,533 0.504,534 0.311,535 0.222,536 0.159,537 8909,538 21011,539 2.035,540 51.8,541 5,542 16,545 1,547 7,550 1.698,551 1.906,552 3.53,553 -0.309,555 1,559 87.892,560 1.569,561 3.082,562 4.463,563 4.861,564 4.995,565 5.066,566 3.056,567 4.533,568 4.721,569 3.708,570 1301.39,571 8.182,572 17017.6,574 1,576 1,577 325.212,578 1.399,579 4.685,580 0.155,581 0.007,582 0.08,583 0.039,584 0.044,585 0.027,586 0.018,587 0.013,588 0.009,589 0.007,590 0.4,591 0.33,592 1,593 1.215,594 135.398,595 -0.023,596 -0.239,597 0.043,598 -0.125,599 0.005,600 -0.033,601 -0.038,602 0.048,603 0.039,604 0.067,605 0.084,606 0.06,607 0.091,608 -0.017,609 0.116,610 0.004,611 0.115,612 0.06,613 0.133,614 -0.068,615 0.103,616 -0.017,617 0.11,618 0.012,619 0.208,620 0.072,621 0.087,622 -0.005,623 0.198,624 0.029,625 -0.07,626 -0.075,627 -0.111,628 -0.097,629 -0.141,630 -0.137,631 -0.117,632 -0.014,633 -0.106,634 -0.02,635 -0.17,636 -0.038,637 -0.139,638 0.008,639 0.014,640 0.085,641 -0.13,642 0.058,643 2.074,644 5.67,645 0.593,646 26.612,647 1.004,648 1.136,649 2.64,650 6.969,651 0.631,652 3.401,653 3.689,654 3.97,655 4.22,656 4.466,657 4.477,658 4.522,659 4.522,660 4.543,661 4.533,662 6.949,663 0.591,664 396.96,665 3.401,666 4.92,667 5.765,668 6.635,669 7.504,670 8.383,671 9.262,672 10.145,673 11.029,674 11.917,675 3.6,678 1,680 1,688 1,693 5,695 6,704 1,707 1,712 2,713 1,714 56,716 7,717 1,718 29,720 58,721 20,722 6,723 5,724 1,725 1,730 3,731 4,732 1,736 1,740 2,741 1,743 4,745 7,746 13,747 1,750 1,755 1,759 1,761 1,764 29,765 6,766 1,767 7,768 1,773 2,777 0.667,778 4,793 3,797 1,815 1,819 2,823 2,824 1,827 27,833 10,834 1,835 3,837 1,838 1,846 1,847 7.1,850 1,852 3,854 14.167,855 10.426,856 6.222,857 3.794,858 1.243,859 1.172,860 0.932,861 7.644,862 8.478,863 3.526,864 3.998,865 4.508,866 4.995,867 5.481,868 5.672,869 5.825,870 5.773,871 5.847,872 5.819,873 1,874 43,875 10.083,877 4.213,878 7.665,879 19.614,881 16.023,883 2.165,884 58.444,886 1,887 1,888 329.591,889 84.051,890 21.135,891 39.149,892 58.145,895 84.051,896 426.884,897 21.135,898 17.222,899 30.232,900 9.476,901 50.347,902 56.054,904 329.591,905 39.149,906 329.591,907 105.186,908 58.145,909 39.149,911 247.193,912 140.542,915 42.182,916 44.994,917 57.159,919 329.591,920 79.28,921 123.2,924 329.591,925 57.354,926 29.822,927 18.011,928 97.293,929 329.591,930 79.28,931 123.2,933 0.564,934 0.34,935 0.189,936 0.109,937 17,938 8,939 0.138,940 8,941 1,942 1.125,943 3.878,944 221.525,945 0.125,946 16,947 124.382,951 20.714,952 9.963,953 5.079,955 79.28,956 1.594,961 2.26,963 18.011,964 532.07,965 33,970 12.67,974 -0.408,975 56.207,976 63.591,977 0.27,978 0.531,979 0.769,980 0.837,981 0.86,982 0.872,983 4.775,984 1.408,985 5.733,986 3.077,987 4.369,988 4.682,989 2.384,990 6.541,991 4.235,992 5.92,993 1.05,994 7.29,995 2.684,996 3.892,997 4.527,998 0.325,999 7.476,1000 3.702,1001 7.209,1002 1,1003 8.952,1004 2.505,1005 5.948,1006 6.754,1007 2.966,1008 10.597,1009 5.708,1010 8.537,1011 0.821,1012 10.68,1013 2.275,1014 6.33,1015 7.497,1016 0.268,1017 12.397,1018 6.04,1019 9.907,1020 0.503,1021 12.449,1022 1.816,1023 7.828,1024 9.233,1025 3.85,1026 15.052,1027 7.491,1028 11.305,1029 0.245,1030 14.249,1031 1.027,1032 8.616,1033 10.369,1034 0.188,1035 17.212,1036 8.23,1037 12.726,1038 -0.135,1039 16.07,1040 0.419,1041 9.893,1042 11.936,1043 4.836,1044 19.719,1045 9.461,1046 3.247,1047 -0.406,1048 17.909,1049 -0.233,1050 10.878,1051 13.248,1052 0.125,1053 22.035,1054 10.395,1055 2.685,1056 11.458,1057 19.761,1058 -0.796,1059 12.073,1060 14.751,1061 5.853,1062 24.494,1063 11.541,1064 2.595,1065 8.784,1066 21.624,1067 4.32,1068 13.153,1069 16.142,1070 0.082,1071 26.877,1072 12.568,1073 2.277,1074 7.396,1075 23.496,1076 3.313,1077 14.321,1078 17.621,1079 6.88,1080 29.321,1081 13.686,1082 2.188,1083 6.855,1084 25.376,1085 2.834,1086 15.447,1087 19.049,1088 0.054,1089 31.734,1090 14.758,1091 1.647,1092 6.37,1093 27.263,1094 2.653,1095 16.61,1096 20.518,1097 7.91,1098 34.172,1099 15.869,1100 1.433,1101 4.562,1102 29.155,1103 2.25,1104 17.758,1105 21.964,1106 0.035,1107 36.598,1108 16.963,1109 8784,1110 13831,1111 19.186,1112 35.347,1113 42.204,1114 44.049,1115 44.57,1116 42.372,1117 42.196,1118 48.199,1119 9.189,1120 118.452,1121 39.124,1122 5.599,1123 5.734,1124 6.736,1125 5.338,1126 5.247,1127 7.32,1128 3.349,1129 19.037,1130 5.078,1131 13.614,1132 1.455,1133 1.519,1134 1.537,1135 1.461,1136 1.455,1137 1.662,1138 0.317,1139 4.085,1140 1.349,1141 3.999,1142 4.013,1143 4.064,1144 3.893,1145 7.433,1146 3.905,1147 3.885,1148 3.939,1149 3.77,1150 3.742,1151 5.002,1152 3.738,1153 3.638,1154 3.707,1155 3.545,1156 3.497,1157 4.675,1158 3.477,1159 3.485,1160 3.53,1161 3.47,1162 3.266,1163 4.473,1164 3.277,1165 3.435,1166 3.485,1167 3.362,1168 3.183,1169 4.287,1170 3.214,1171 3.278,1172 3.366,1173 3.149,1174 3.057,1175 4.246,1176 3.052,1177 3.114,1178 3.206,1179 3.079,1180 2.941,1181 4.141,1182 2.91,1183 3.111,1184 3.174,1185 2.866,1186 2.878,1187 4.066,1188 2.876,1189 0.159,1190 0.129,1191 0.237,1192 0.145,1193 0.112,1194 4.599,1195 0.149,1196 3.734,1197 0.058,1198 6.873,1199 0.395,1200 4.198,1201 0.106,1202 3.247,1203 4.32,1204 1.674,1205 11.458,1206 3.078,1207 1.908,1208 1.902,1209 2.078,1210 2.056,1211 1.459,1212 2.063,1213 1.861,1214 1.804,1215 1.953,1216 2.024,1217 1.243,1218 2.008,1219 1.658,1220 1.59,1221 1.935,1222 1.838,1223 1.133,1224 1.875,1225 1.425,1226 1.377,1227 1.694,1228 1.68,1229 0.927,1230 1.687,1231 1.345,1232 1.286,1233 1.622,1234 1.634,1235 0.838,1236 1.624,1237 1.263,1238 1.173,1239 1.583,1240 1.51,1241 0.825,1242 1.54,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.66,1248 1.429,1249 1.071,1250 1.003,1251 1.419,1252 1.345,1253 0.634,1254 1.371,1255 4.078,1257 5.371,1259 6.878,1261 8.491,1263 10.164,1265 3.972,1266 6.306,1271 9.182,1272 2.998,1273 16.962,1275 0.409,1276 2.5,1280 33.105,1281 87.892,1282 172.565,1283 249.928,1284 272.192,1285 279.702,1286 283.702,1287 57.878,1288 7.235,1289 60.03,1290 60.03,1291 18,1292 12.448,1293 3,1294 2.322,1295 47.247,1296 111,1297 142,1298 0.207,1299 206.634,1300 368.39,1301 495.947,1302 13509,1303 1.8,1304 19.225,1305 0.712,1306 0.627,1307 19.725,1308 16.94,1309 13.135,1310 0.453,1311 0.352,1312 9.688,1313 12.21,1314 9.428,1315 7.807,1316 13.423,1317 10.207,1318 11.145,1319 0.286,1320 0.193,1321 11.516,1322 7.53,1323 9.514,1324 0.183,1325 0.106,1326 9.846,1327 5.517,1328 7.826,1329 0.117,1330 0.058,1331 8.204,1332 3.881,1333 6.534,1334 0.076,1335 0.033,1336 6.857,1337 2.84,1338 0.33,1339 86.455,1340 0.228,1341 26.218,1342 0.551,1343 136,1344 421.124,1345 167.942,1346 414.464,1347 550.21,1348 390,1349 159,1350 370.384,1351 189.096,1352 376.404,1353 561.06,1354 354,1355 5.885} {0 CHEMBL1258452,1 1.429,2 11.652,3 2.94,4 8.644,5 92.89,6 6.284,7 0.25,8 3.988,9 4.123,10 3.391,11 3.439,12 4.973,13 3.396,14 4.576,15 4.782,16 3.682,17 3.819,18 5.493,19 3.739,20 4.834,21 5.077,22 3.762,23 3.978,24 5.711,25 3.862,26 4.945,27 5.21,28 3.625,29 3.93,30 5.807,31 3.79,32 4.842,33 5.126,34 3.528,35 3.822,36 5.716,37 3.671,38 4.67,39 4.929,40 3.441,41 3.75,42 5.623,43 3.596,44 4.683,45 4.948,46 3.258,47 3.659,48 5.567,49 3.502,50 4.47,51 4.744,52 3.175,53 3.55,54 5.198,55 3.385,56 0.042,57 0.69,58 12.573,59 4.913,60 8.421,61 6.962,62 0.319,63 1.067,64 22.982,65 7.776,66 28.971,67 11.43,68 0.271,69 1.291,70 29.314,71 9.962,72 32.89,73 14.84,74 0.42,75 1.268,76 33.105,77 10.172,78 48.969,79 15.251,80 0.633,81 1.13,82 29.872,83 9.187,84 51.65,85 13.894,86 0.295,87 1.011,88 24.693,89 8.731,90 47.689,91 12.722,92 0.475,93 0.937,94 25.574,95 7.944,96 52.382,97 11.623,98 0.167,99 0.846,100 19.948,101 6.928,102 19.524,103 10.395,104 23,105 31,106 0.246,107 0.537,108 0.759,109 0.825,110 0.843,111 0.843,112 3.187,113 1.058,114 -3.69,115 -3.66,116 -3.48,119 35.3,120 1,121 4,122 1,124 1,125 4,140 3,141 1,142 2,156 1,161 1,162 1,163 1,169 7,171 1,172 7,176 1,178 4,180 1,182 10,183 1,184 1,186 2,189 1,191 2,193 5,197 1,199 3,201 1,202 3,203 2,211 7,217 2,218 2,222 8,225 1,226 3,233 3,237 5,242 1,246 1,249 3,254 2,256 1,258 2,259 749,260 15.585,261 15.585,262 15.585,263 15.585,264 15.585,265 14.717,266 18.147,267 9.449,268 15.986,269 11.714,270 11.714,271 11.714,272 11.714,273 11.714,274 10.31,275 17.97,276 4.349,277 12.235,278 4.244,279 2.555,280 1.265,281 0.883,282 0.775,283 0.775,284 3.851,287 1,288 1,289 1,290 547,291 3.391,295 173.345,302 1.928,303 22.466,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 50,315 268,316 4.31,317 3.665,318 6.184,319 3.918,320 2.941,321 3.955,322 1.674,323 9.13,324 2.869,325 3.864,326 3.038,327 5.831,328 3.625,329 2.667,330 3.209,331 0.86,332 7.862,333 2.559,334 3.647,335 2.882,336 5.489,337 3.485,338 2.522,339 2.654,340 0.8,341 7.373,342 2.418,343 3.218,344 2.405,345 5.129,346 3.153,347 2.201,348 2.231,350 6.371,351 2.083,352 2.894,353 1.954,354 4.236,355 2.476,356 1.535,357 2.029,359 3.863,360 1.437,361 2.819,362 1.823,363 4.148,364 2.44,365 1.468,366 1.858,368 3.715,369 1.422,370 2.426,371 1.55,372 3.453,373 2.351,374 1.376,375 1.424,377 2.661,378 1.324,379 2,380 1.388,381 3.414,382 1.984,383 1,384 1,386 2.275,387 0.983,388 1.769,389 1.077,390 3.067,391 1.573,392 0.618,393 0.68,395 1.324,396 0.581,397 1.707,398 0.94,399 2.858,400 1.411,401 0.515,402 0.586,404 0.864,405 0.456,406 1.306,407 0.476,408 2.528,409 1.225,410 0.263,411 0.271,413 0.446,414 0.251,415 1.091,416 0.248,417 2.32,418 0.751,419 -0.192,420 -0.223,422 -0.354,423 -0.178,424 0.671,425 0.001,426 2.115,427 0.564,428 -0.42,429 -0.447,431 -0.81,432 -0.409,433 0.583,434 -0.421,435 2,436 0.136,437 -0.828,438 -1,440 -2.075,441 -0.787,442 0.192,443 -0.586,444 1.775,445 -0.02,446 -1,447 -1.04,449 -2.18,450 -0.946,451 10.8,452 0.47,453 0.451,454 0.02,455 22.75,456 0.989,457 8.5,458 0.37,459 14.25,460 0.62,461 21.993,462 0.956,463 27.6,464 0.541,465 15.502,466 0.674,467 4.244,468 0.185,469 6.891,470 0.3,471 0.16,473 0.269,479 0.849,480 1.505,481 0.971,482 1.363,483 0.72,484 1.202,485 1.03,486 1.13,487 1.015,488 1.054,489 0.574,490 1.028,491 0.816,492 1.175,493 0.96,494 1.166,495 0.583,496 1.09,497 1.314,498 1.037,499 1.066,500 1.03,501 1.214,502 1.016,503 0.927,504 0.761,505 0.909,506 0.809,507 1.02,508 0.847,509 0.742,510 1.096,511 0.938,512 1.166,513 1.201,514 1.103,515 1.555,516 0.822,517 1.146,518 0.85,519 1.949,520 0.942,521 0.713,522 1.126,523 0.94,524 1.121,525 0.58,526 1.074,527 4.5,528 0.087,529 2.667,530 0.938,531 1.076,532 0.785,533 0.283,534 0.205,535 0.205,536 0.133,537 5840,538 12638,539 1.971,540 54.9,541 5,542 14,545 2,547 7,550 1.651,551 1.84,552 3.507,553 0.278,554 1,555 1,559 72.874,560 1.429,561 3.117,562 4.407,563 4.79,564 4.898,565 4.898,566 2.989,567 4.143,568 4.491,569 3.661,570 926.34,571 7.701,572 11120.2,574 1,576 1,577 289.294,578 1.41,579 4.449,580 0.188,581 0.007,582 0.086,583 0.029,584 0.041,585 0.033,586 0.013,587 0.011,588 0.012,589 0.008,590 0.428,591 0.33,592 1,593 1.335,594 110.651,595 -0.022,596 -0.142,597 0.044,598 -0.089,599 -0.028,600 -0.019,601 0.02,602 0.026,603 0.006,604 0.037,605 0.119,606 0.025,607 0.038,608 -0.1,609 0.016,610 -0.119,611 0.132,612 -0.06,613 -0.119,614 -0.092,615 -0.059,616 -0.073,617 -0.064,618 -0.058,619 0.165,620 0.163,621 0.082,622 0.119,623 0.073,624 0.096,625 0.124,626 -0.115,627 0.019,628 -0.131,629 0.134,630 -0.083,631 -0.177,632 0.072,633 -0.121,634 0.096,635 -0.247,636 0.001,637 0.003,638 -0.138,639 -0.003,640 -0.103,641 -0.026,642 -0.06,643 1.975,644 5.143,645 0.522,646 22.216,647 0.994,648 1.138,649 2.461,650 6.057,651 0.613,652 3.219,653 3.466,654 3.664,655 3.784,656 3.989,657 3.932,658 3.85,659 3.829,660 3.85,661 3.829,662 6.719,663 0.569,664 320.48,665 3.219,666 4.71,667 5.517,668 6.347,669 7.175,670 8.01,671 8.844,672 9.681,673 10.518,674 11.357,675 3.9,678 1,679 1,688 3,693 3,695 6,704 1,705 1,712 1,714 51,716 7,717 1,718 24,720 52,721 18,722 6,723 3,724 3,725 1,730 2,731 2,736 1,740 2,741 1,743 4,745 7,746 11,747 1,750 1,755 1,759 1,760 1,761 1,764 28,765 5,766 2,767 5,773 2,777 1,778 3,793 2,815 1,819 2,823 2,827 23,828 1,833 8,835 2,837 1,838 1,847 5.9,850 1,852 2,854 12.5,855 9.367,856 5.389,857 3.328,858 1.108,859 1.171,860 0.917,861 7.185,862 7.578,863 3.367,864 3.795,865 4.223,866 4.589,867 5.045,868 5.091,869 5.042,870 4.789,871 4.8,872 4.947,873 0.875,874 32,875 8.551,877 3.455,878 7.674,879 16.686,881 13.311,883 2.174,884 50,887 1,888 306.049,889 87.562,890 36.022,892 47.145,895 87.562,896 353.193,897 36.022,898 19.708,899 21.048,900 61.326,901 32.336,902 36.31,904 306.049,906 306.049,907 123.583,908 47.145,911 223.651,912 129.542,915 32.997,916 90.586,919 306.049,920 83.166,921 87.562,924 306.049,925 39.425,926 51.261,928 80.042,929 306.049,930 83.166,931 87.562,933 0.56,934 0.326,935 0.16,936 0.091,937 12,938 6,939 0.154,940 8,942 1,943 3.588,944 163.196,946 12,947 100.042,951 18.084,952 9.138,953 5.396,955 83.166,956 4.972,961 1.503,963 32.897,964 476.777,965 28,970 12.143,974 -0.309,975 50.672,976 58.022,977 0.252,978 0.55,979 0.777,980 0.844,981 0.863,982 0.863,983 4.58,984 1,985 5.468,986 2.661,987 4.143,988 4.477,989 2.202,990 6.192,991 4.063,992 5.708,993 0.618,994 6.982,995 2.275,996 3.611,997 4.182,998 0.325,999 6.952,1000 3.507,1001 6.968,1002 0.515,1003 8.594,1004 1.324,1005 5.659,1006 6.465,1007 2.906,1008 9.958,1009 5.51,1010 8.261,1011 0.263,1012 10.261,1013 0.864,1014 5.943,1015 7.018,1016 0.268,1017 11.503,1018 5.767,1019 9.59,1020 -0.192,1021 11.964,1022 0.446,1023 7.432,1024 8.802,1025 3.832,1026 14.005,1027 7.222,1028 10.942,1029 -0.42,1030 13.689,1031 -0.354,1032 8.095,1033 9.744,1034 0.188,1035 15.879,1036 7.859,1037 12.311,1038 -0.828,1039 15.43,1040 -0.81,1041 9.343,1042 11.327,1043 4.831,1044 18.193,1045 9.079,1046 2.941,1047 -1,1048 17.182,1049 -2.075,1050 10.195,1051 12.462,1052 0.125,1053 20.224,1054 9.906,1055 2.667,1056 9.13,1057 18.943,1058 -2.18,1059 11.333,1060 13.949,1061 5.852,1062 22.462,1063 11.018,1064 2.522,1065 7.862,1066 20.711,1067 3.955,1068 12.282,1069 15.187,1070 0.082,1071 24.573,1072 11.943,1073 2.201,1074 7.373,1075 22.484,1076 3.209,1077 13.371,1078 16.623,1079 6.88,1080 26.782,1081 13.008,1082 1.535,1083 6.371,1084 24.262,1085 2.654,1086 14.372,1087 17.919,1088 0.054,1089 28.935,1090 13.985,1091 1.468,1092 3.863,1093 26.044,1094 2.231,1095 15.44,1096 19.327,1097 7.91,1098 31.135,1099 15.031,1100 1.376,1101 3.715,1102 27.829,1103 2.029,1104 16.468,1105 20.656,1106 0.035,1107 33.31,1108 16.035,1109 5942,1110 8943,1111 15.603,1112 31.273,1113 34.251,1114 35.576,1115 35.953,1116 34.196,1117 34.21,1118 39.793,1119 6.669,1120 91.766,1121 32.767,1122 5.31,1123 5.665,1124 6.048,1125 4.971,1126 4.941,1127 6.955,1128 3.349,1129 15.411,1130 4.869,1131 12.474,1132 1.427,1133 1.482,1134 1.498,1135 1.425,1136 1.425,1137 1.658,1138 0.278,1139 3.824,1140 1.365,1141 3.961,1142 3.993,1143 3.907,1144 3.861,1145 7.433,1146 3.868,1147 3.876,1148 3.925,1149 3.759,1150 3.74,1151 5.125,1152 3.736,1153 3.637,1154 3.706,1155 3.468,1156 3.497,1157 4.646,1158 3.477,1159 3.412,1160 3.445,1161 3.326,1162 3.147,1163 4.48,1164 3.184,1165 3.254,1166 3.324,1167 3.074,1168 3.018,1169 4.314,1170 3.022,1171 3.179,1172 3.254,1173 3.004,1174 2.941,1175 4.221,1176 2.934,1177 3.111,1178 3.206,1179 2.866,1180 2.929,1181 4.06,1182 2.91,1183 2.985,1184 3.088,1185 2.752,1186 2.763,1187 3.641,1188 2.742,1189 0.18,1190 0.153,1191 0.258,1192 0.163,1193 0.123,1194 4.31,1195 0.165,1196 3.665,1197 0.07,1198 6.184,1199 0.38,1200 3.918,1201 0.12,1202 2.941,1203 3.955,1204 1.674,1205 9.13,1206 2.869,1207 1.9,1208 1.882,1209 2.078,1210 2.052,1211 1.459,1212 2.063,1213 1.859,1214 1.803,1215 1.981,1216 2,1217 1.243,1218 1.995,1219 1.658,1220 1.59,1221 1.938,1222 1.836,1223 1.072,1224 1.874,1225 1.31,1226 1.261,1227 1.6,1228 1.6,1229 0.838,1230 1.589,1231 1.21,1232 1.141,1233 1.572,1234 1.509,1235 0.825,1236 1.531,1237 1.153,1238 1.064,1239 1.513,1240 1.416,1241 0.639,1242 1.429,1243 1.127,1244 1.062,1245 1.431,1246 1.376,1247 0.575,1248 1.418,1249 0.989,1250 0.897,1251 1.281,1252 1.273,1253 0.292,1254 1.3,1255 3.892,1257 5.153,1259 6.613,1261 8.161,1263 9.753,1265 3.755,1269 5.757,1271 8.6,1273 10.605,1275 0.465,1276 2.507,1280 29.036,1281 72.874,1282 158.987,1283 224.764,1284 244.274,1285 249.784,1286 249.784,1287 49.081,1288 6.469,1289 64.79,1290 64.79,1291 12,1292 11.923,1293 3,1294 2.322,1295 45.683,1296 93,1297 103,1298 0.241,1299 182.514,1300 322.15,1301 437.093,1302 5047,1304 16.656,1305 0.724,1306 0.618,1307 16.656,1308 14.216,1309 11.135,1310 0.464,1311 0.353,1312 8.336,1313 10.647,1314 8.094,1315 6.792,1316 11.135,1317 8.467,1318 9.302,1319 0.3,1320 0.2,1321 9.302,1322 6.194,1323 7.695,1324 0.202,1325 0.117,1326 7.695,1327 4.454,1328 5.573,1329 0.13,1330 0.067,1331 5.573,1332 2.873,1333 4.506,1334 0.085,1335 0.041,1336 4.506,1337 2.148,1338 0.39,1339 70.309,1340 0.253,1341 23.199,1342 0.627,1343 110,1344 316.164,1345 121.854,1346 294.595,1347 391.75,1348 276,1349 124,1350 273.594,1351 136.19,1352 276.634,1353 400.18,1354 257,1355 5.245} {0 CHEMBL1258671,1 1.594,2 11.885,3 2.948,4 8.689,5 97.601,6 6.915,7 0.214,8 4.062,9 4.182,10 3.552,11 3.496,12 5.094,13 3.486,14 4.67,15 4.854,16 3.898,17 3.892,18 5.677,19 3.857,20 4.949,21 5.175,22 4.023,23 4.045,24 5.982,25 3.983,26 5.006,27 5.243,28 3.951,29 3.995,30 6.077,31 3.918,32 4.916,33 5.163,34 3.876,35 3.902,36 6.095,37 3.815,38 4.787,39 5.023,40 3.633,41 3.821,42 5.847,43 3.714,44 4.774,45 5.031,46 3.458,47 3.731,48 5.727,49 3.611,50 4.59,51 4.838,52 3.47,53 3.645,54 5.445,55 3.543,56 0.07,57 0.786,58 12.351,59 5.182,60 8.349,61 6.85,62 0.426,63 1.233,64 24.632,65 8.375,66 33.908,67 11.594,68 0.649,69 1.517,70 33.599,71 10.712,72 60.024,73 15.282,74 0.986,75 1.455,76 36.78,77 10.789,78 87.008,79 15.43,80 1.161,81 1.289,82 33.964,83 9.775,84 114.584,85 14.303,86 0.578,87 1.204,88 28.976,89 9.31,90 78.685,91 13.023,92 0.733,93 1.111,94 29.591,95 8.719,96 82.653,97 12.237,98 0.379,99 1.017,100 23.581,101 7.598,102 37.7,103 10.846,104 20,105 38,106 0.271,107 0.537,108 0.741,109 0.812,110 0.837,111 0.849,112 3.304,113 1.004,114 -3.53,115 -3.51,116 -3.35,119 35.8,120 1,121 4,122 1,125 6,140 1,141 1,142 4,156 1,161 1,162 1,163 1,169 5,171 1,172 7,178 2,181 1,182 8,183 1,184 1,186 1,191 1,192 2,193 3,194 1,195 1,197 1,199 3,201 1,202 3,203 2,211 6,215 1,217 2,218 2,222 5,225 1,226 5,233 1,237 4,242 1,246 1,248 1,249 2,254 2,256 1,258 2,259 1040,260 17.629,261 17.629,262 17.629,263 17.629,264 17.629,265 16.68,266 21.785,267 10.605,268 18.16,269 13.755,270 13.755,271 13.755,272 13.755,273 13.755,274 12.205,275 23.385,276 4.976,277 14.612,278 4.134,279 2.572,280 1.368,281 0.948,282 0.807,283 0.731,284 3.986,287 1,288 1,289 1,290 655,291 3.391,295 228.558,299 120.261,302 1.902,303 39.106,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 58.5,315 309,316 4.588,317 3.731,318 6.841,319 4.191,320 3.233,321 4.31,322 1.674,323 11.302,324 3.091,325 3.919,326 3.367,327 6.074,328 3.637,329 2.678,330 3.29,331 0.86,332 8.467,333 2.568,334 3.654,335 2.882,336 5.511,337 3.534,338 2.57,339 2.832,340 0.86,341 7.391,342 2.466,343 3.539,344 2.847,345 5.469,346 3.184,347 2.266,348 2.653,349 0.8,350 6.771,351 2.09,352 3.223,353 2.413,354 5.132,355 3.131,356 2.188,357 2.246,359 6.37,360 2.021,361 2.956,362 2.296,363 4.624,364 2.555,365 1.624,366 2.017,368 4.513,369 1.494,370 2.493,371 1.896,372 3.726,373 2.408,374 1.428,375 1.492,377 3.055,378 1.398,379 2.427,380 1.558,381 3.655,382 2.327,383 1.407,384 1.425,386 2.682,387 1.277,388 2.039,389 1.535,390 3.455,391 1.984,392 1,393 1.007,395 2.381,396 0.983,397 2,398 1.388,399 3.414,400 1.8,401 0.953,402 1,404 2.275,405 0.8,406 1.769,407 1.077,408 3.296,409 1.584,410 0.652,411 0.697,413 1.481,414 0.597,415 1.558,416 1.032,417 2.909,418 1.301,419 0.366,420 0.394,422 0.768,423 0.338,424 1.304,425 0.473,426 2.594,427 1.158,428 0.2,429 0.221,431 0.372,432 0.188,433 0.827,434 0.117,435 2.453,436 0.57,437 -0.406,438 -0.424,440 -0.794,441 -0.38,442 0.672,443 0.077,444 2.106,445 0.452,446 -0.446,447 -0.518,449 -1.13,450 -0.405,451 11.919,452 0.458,453 0.575,454 0.022,455 26,456 1,457 9,458 0.346,459 17,460 0.654,461 26.165,462 1.006,463 31.281,464 0.59,465 19.167,466 0.737,467 4.814,468 0.185,469 7.783,470 0.299,471 0.127,473 0.327,477 1,479 0.758,480 1.326,481 0.832,482 1.35,483 0.608,484 1.143,485 0.927,486 1.087,487 0.915,488 1.094,489 0.561,490 1.011,491 0.831,492 1.028,493 0.857,494 1.079,495 0.633,496 0.99,497 0.972,498 1.005,499 0.942,500 1.011,501 0.98,502 0.978,503 0.702,504 0.833,505 0.833,506 0.888,507 0.736,508 0.892,509 1.013,510 1.055,511 1.063,512 1.136,513 1.334,514 1.125,515 1.294,516 0.87,517 1.119,518 0.858,519 1.522,520 0.941,521 0.923,522 1.064,523 0.938,524 1.067,525 0.744,526 1.021,527 4.5,528 0.128,529 3.111,530 1.563,531 1.72,532 0.875,533 0.424,534 0.311,535 0.222,536 0.159,537 8152,538 19936,539 2.037,540 50.9,541 5,542 13,545 2,547 7,550 1.687,551 1.902,552 3.479,553 0.289,554 1,555 1,559 84.487,560 1.594,561 3.156,562 4.359,563 4.78,564 4.921,565 4.997,566 2.955,567 4.085,568 4.668,569 3.67,570 1192.83,571 8.07,572 15211.3,574 1,576 1,577 303.58,578 1.42,579 4.628,580 0.161,581 0.008,582 0.082,583 0.038,584 0.048,585 0.027,586 0.016,587 0.014,588 0.01,589 0.008,590 0.411,591 0.33,592 1,593 1.139,594 128.827,595 -0.043,596 -0.125,597 0.053,598 -0.095,599 -0.024,600 -0.009,601 -0.028,602 -0.06,603 0.031,604 -0.011,605 0.065,606 0.023,607 0.074,608 -0.039,609 0.103,610 -0.058,611 0.126,612 0.017,613 0.104,614 -0.059,615 0.058,616 -0.042,617 0.06,618 -0.01,619 0.32,620 0.079,621 0.161,622 0.062,623 0.287,624 0.072,625 -0.046,626 -0.091,627 -0.093,628 -0.126,629 -0.068,630 -0.127,631 -0.167,632 0.072,633 -0.108,634 0.096,635 -0.208,636 0.019,637 -0.062,638 -0.119,639 0.015,640 -0.059,641 -0.044,642 -0.013,643 2.37,644 5.993,645 0.615,646 24.462,647 1.01,648 1.143,649 2.304,650 5.307,651 0.616,652 3.367,653 3.664,654 3.932,655 4.159,656 4.419,657 4.407,658 4.419,659 4.443,660 4.489,661 4.443,662 6.803,663 0.587,664 366.48,665 3.367,666 4.89,667 5.733,668 6.6,669 7.467,670 8.342,671 9.218,672 10.097,673 10.978,674 11.861,675 3.8,678 1,679 1,688 1,693 5,695 6,704 1,705 1,712 2,713 1,714 53,716 7,717 1,718 28,720 55,721 19,722 6,723 5,724 1,725 1,730 3,731 4,736 1,740 2,741 1,743 4,745 7,746 12,747 1,750 1,755 1,759 1,760 1,761 1,762 1,764 27,765 7,766 2,767 7,773 2,777 0.667,778 4,793 3,797 1,815 1,819 2,823 1,825 1,827 26,828 1,833 10,835 3,837 1,838 1,846 1,847 7.5,850 1,852 3,854 13.667,855 9.51,856 5.889,857 3.565,858 1.246,859 1.174,860 0.939,861 6.733,862 8.401,863 3.497,864 3.98,865 4.474,866 4.943,867 5.437,868 5.599,869 5.685,870 5.672,871 5.782,872 5.72,873 0.875,874 41,875 9.769,877 4.209,878 7.878,879 18.635,881 15.365,883 2.378,884 61.833,887 1,888 294.278,889 81.275,890 36.022,892 58.145,893 14.96,895 81.275,896 352.422,897 50.982,898 8.825,899 30.232,900 42.373,901 32.336,902 61.674,903 14.96,904 294.278,906 294.278,907 117.297,908 73.105,911 226.84,912 140.542,915 42.182,916 75.115,919 309.238,920 94.166,921 81.275,924 294.278,925 62.974,926 21.426,928 106.002,929 294.278,930 109.126,931 81.275,933 0.571,934 0.338,935 0.18,936 0.106,937 17,938 8,939 0.127,940 7,941 1,942 1.125,943 3.809,944 209.781,945 0.125,946 16,947 118.211,951 19.399,952 9.023,953 4.687,955 109.126,956 1.068,961 -0.546,963 32.897,964 484.679,965 32,970 12.453,974 -0.598,975 53.512,976 60.572,977 0.278,978 0.551,979 0.761,980 0.834,981 0.859,982 0.872,983 4.749,984 1.407,985 5.707,986 3.055,987 4.344,988 4.663,989 2.354,990 6.509,991 4.229,992 5.901,993 1,994 7.263,995 2.682,996 3.892,997 4.527,998 0.325,999 7.42,1000 3.746,1001 7.192,1002 0.953,1003 8.925,1004 2.381,1005 5.922,1006 6.737,1007 2.964,1008 10.54,1009 5.712,1010 8.52,1011 0.652,1012 10.65,1013 2.275,1014 6.312,1015 7.485,1016 0.268,1017 12.306,1018 6.073,1019 9.889,1020 0.366,1021 12.416,1022 1.481,1023 7.798,1024 9.215,1025 3.849,1026 14.964,1027 7.505,1028 11.286,1029 0.2,1030 14.21,1031 0.768,1032 8.585,1033 10.35,1034 0.188,1035 17.095,1036 8.259,1037 12.704,1038 -0.406,1039 16.027,1040 0.372,1041 9.857,1042 11.914,1043 4.836,1044 19.601,1045 9.484,1046 3.233,1047 -0.446,1048 17.859,1049 -0.794,1050 10.838,1051 13.223,1052 0.125,1053 21.895,1054 10.427,1055 2.678,1056 11.302,1057 19.706,1058 -1.13,1059 12.029,1060 14.726,1061 5.853,1062 24.348,1063 11.573,1064 2.57,1065 8.467,1066 21.563,1067 4.31,1068 13.104,1069 16.114,1070 0.082,1071 26.715,1072 12.607,1073 2.266,1074 7.391,1075 23.43,1076 3.29,1077 14.268,1078 17.592,1079 6.88,1080 29.149,1081 13.727,1082 2.188,1083 6.771,1084 25.305,1085 2.832,1086 15.39,1087 19.017,1088 0.054,1089 31.547,1090 14.805,1091 1.624,1092 6.37,1093 27.187,1094 2.653,1095 16.549,1096 20.485,1097 7.91,1098 33.975,1099 15.92,1100 1.428,1101 4.513,1102 29.075,1103 2.246,1104 17.693,1105 21.928,1106 0.035,1107 36.387,1108 17.019,1109 8008,1110 12876,1111 18.493,1112 32.665,1113 41.224,1114 43.082,1115 43.069,1116 41.167,1117 41.131,1118 47.167,1119 8.389,1120 115.654,1121 38.62,1122 5.588,1123 5.731,1124 6.705,1125 5.332,1126 5.233,1127 7.31,1128 3.349,1129 18.871,1130 5.091,1131 13.199,1132 1.472,1133 1.539,1134 1.538,1135 1.47,1136 1.469,1137 1.685,1138 0.3,1139 4.131,1140 1.379,1141 3.996,1142 4.012,1143 3.969,1144 3.873,1145 8.201,1146 3.893,1147 3.885,1148 3.939,1149 3.764,1150 3.741,1151 7.433,1152 3.737,1153 3.638,1154 3.707,1155 3.473,1156 3.497,1157 5.099,1158 3.477,1159 3.485,1160 3.523,1161 3.367,1162 3.258,1163 4.76,1164 3.273,1165 3.39,1166 3.434,1167 3.306,1168 3.134,1169 4.474,1170 3.167,1171 3.211,1172 3.277,1173 3.056,1174 2.997,1175 4.283,1176 3.006,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 4.174,1182 2.91,1183 2.989,1184 3.088,1185 2.774,1186 2.764,1187 4.073,1188 2.745,1189 0.164,1190 0.133,1191 0.244,1192 0.15,1193 0.115,1194 4.588,1195 0.154,1196 3.731,1197 0.06,1198 6.841,1199 0.404,1200 4.191,1201 0.11,1202 3.233,1203 4.31,1204 1.674,1205 11.302,1206 3.091,1207 1.901,1208 1.893,1209 2.078,1210 2.059,1211 1.459,1212 2.063,1213 1.86,1214 1.804,1215 1.953,1216 2.027,1217 1.243,1218 2.006,1219 1.658,1220 1.59,1221 1.935,1222 1.837,1223 1.107,1224 1.875,1225 1.42,1226 1.373,1227 1.674,1228 1.67,1229 0.911,1230 1.668,1231 1.302,1232 1.243,1233 1.596,1234 1.581,1235 0.837,1236 1.578,1237 1.153,1238 1.095,1239 1.513,1240 1.425,1241 0.825,1242 1.429,1243 1.146,1244 1.064,1245 1.429,1246 1.376,1247 0.639,1248 1.422,1249 0.99,1250 0.9,1251 1.269,1252 1.271,1253 0.29,1254 1.296,1255 4.043,1257 5.342,1259 6.851,1261 8.461,1263 10.13,1265 2.194,1267 13.993,1269 5.674,1271 8.521,1273 16.281,1275 0.337,1276 2.457,1280 31.134,1281 84.487,1282 167.276,1283 231.05,1284 253.315,1285 260.825,1286 264.825,1287 65.19,1288 7.155,1289 74.02,1290 74.02,1291 18,1292 12.396,1293 3,1294 2.322,1295 44.627,1296 105,1297 132,1298 0.206,1299 189.907,1300 341.95,1301 455.133,1302 12352,1303 1.9,1304 18.518,1305 0.712,1306 0.587,1307 17.648,1308 15.261,1309 12.597,1310 0.45,1311 0.335,1312 9.187,1313 11.899,1314 9.031,1315 7.446,1316 12.186,1317 9.368,1318 10.932,1319 0.288,1320 0.182,1321 10.414,1322 6.912,1323 9.335,1324 0.187,1325 0.1,1326 8.804,1327 5.005,1328 7.282,1329 0.116,1330 0.054,1331 7.031,1332 3.379,1333 6.296,1334 0.077,1335 0.031,1336 5.919,1337 2.565,1338 0.33,1339 80.649,1340 0.233,1341 25.42,1342 0.549,1343 132,1344 472.011,1345 151.893,1346 407.612,1347 538.53,1348 382,1349 154,1350 378.291,1351 175.15,1352 367.961,1353 547.62,1354 346,1355 5.544} {0 CHEMBL12624,1 1.46,2 10.125,3 3.818,4 14.573,5 100.233,6 6.492,7 0.231,8 4.047,9 4.175,10 3.67,11 3.603,12 4.853,13 3.511,14 4.694,15 4.901,16 3.977,17 4.041,18 5.681,19 3.918,20 5.007,21 5.25,22 4.04,23 4.242,24 5.818,25 4.057,26 5.135,27 5.403,28 3.953,29 4.201,30 6.031,31 4.011,32 5.029,33 5.302,34 3.779,35 4.057,36 5.95,37 3.89,38 4.886,39 5.145,40 3.686,41 4.011,42 5.754,43 3.844,44 4.864,45 5.13,46 3.644,47 4.054,48 5.534,49 3.837,50 4.934,51 5.233,52 3.423,53 3.931,54 5.69,55 3.691,56 0.109,57 0.796,58 17.001,59 5.82,60 10.614,61 7.981,62 0.394,63 1.338,64 28.258,65 9.828,66 48.958,67 13.766,68 0.275,69 1.699,70 41.836,71 14.261,72 32.947,73 18.866,74 0.466,75 1.708,76 47.457,77 15.144,78 56.852,79 19.823,80 0.478,81 1.509,82 41.707,83 12.394,84 69.483,85 17.107,86 0.502,87 1.38,88 32.742,89 10.629,90 54.073,91 15.256,92 0.187,93 1.407,94 33.817,95 12.556,96 17.141,97 17.008,98 0.332,99 1.328,100 36.042,101 12.102,102 41.915,103 16.556,104 17,105 37,106 0.246,107 0.471,108 0.701,109 0.806,110 0.841,111 0.841,112 3.228,113 1.236,114 -4.09,115 -4.04,116 -3.82,119 35.2,120 2,121 5,122 1,125 4,127 1,140 4,141 1,142 1,169 9,171 3,172 6,178 10,182 7,189 4,192 1,193 14,199 3,203 7,211 7,214 2,215 2,222 9,226 3,233 9,237 7,244 2,249 4,256 5,259 838,260 15.841,261 15.841,262 15.841,263 15.841,264 15.841,265 14.825,266 21.274,267 9.264,268 16.161,269 12.813,270 12.813,271 12.813,272 12.813,273 12.813,274 11.229,275 29.142,276 4.386,277 13.346,278 4.295,279 2.96,280 1.597,281 0.973,282 0.769,283 0.769,284 3.903,287 1,288 1,289 1,290 516,291 3.317,294 71.268,295 160.43,302 1.479,303 25.681,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 51,315 243,316 4.949,317 4.731,318 7.725,319 4.478,320 3.552,321 4.767,322 0.8,323 13.917,324 3.267,325 3.894,326 2.976,327 6.065,328 3.632,329 2.676,330 3.421,331 0.4,332 8.405,333 2.559,334 3.654,335 2.834,336 5.416,337 3.539,338 2.576,339 2.69,341 7.146,342 2.488,343 3.537,344 2.526,345 5.2,346 3.307,347 2.318,348 2.569,350 6.381,351 2.282,352 3.093,353 2.198,354 4.891,355 3.041,356 2.083,357 2.163,359 5.685,360 1.981,361 2.979,362 1.707,363 4.72,364 2.552,365 1.562,366 2.073,368 4.496,369 1.543,370 2.615,371 1.394,372 3.949,373 2.28,374 1.298,375 1.661,377 3.122,378 1.272,379 2.322,380 1.208,381 3.495,382 2.126,383 1.132,384 1.312,386 2.54,387 1.123,388 2,389 1.077,390 3.436,391 1.984,392 1,393 1,395 2.275,396 0.983,397 1.931,398 0.902,399 3.414,400 1.754,401 0.787,402 0.868,404 2.049,405 0.759,406 1.583,407 0.705,408 3.104,409 1.557,410 0.583,411 0.583,413 1.36,414 0.566,415 1,416 0.072,417 2.798,418 0.813,419 -0.173,420 -0.174,422 -0.38,423 -0.171,424 0.943,425 -0.122,426 2.484,427 0.595,428 -0.403,429 -0.509,431 -0.895,432 -0.401,433 0.831,434 -0.135,435 2.268,436 0.191,437 -0.771,438 -0.83,440 -2.08,441 -0.722,442 0.677,443 -0.72,444 2,445 0.158,446 -0.822,447 -1,449 -2.181,450 -0.803,451 11.8,452 0.492,453 0.708,454 0.029,455 23.75,456 0.99,457 9,458 0.375,459 14.75,460 0.615,461 26.172,462 1.09,463 28.4,464 0.526,465 15.443,466 0.643,467 3.754,468 0.156,469 7.71,470 0.321,471 0.141,472 0.071,473 0.237,479 0.479,480 1.573,481 0.954,482 1.406,483 0.625,484 1.195,485 0.715,486 1.129,487 0.898,488 0.965,489 0.476,490 1.022,491 0.914,492 1.181,493 1.22,494 1.226,495 0.674,496 1.121,497 1.402,498 1.017,499 1.191,500 1.099,501 1.503,502 0.981,503 1.633,504 0.961,505 1.13,506 0.965,507 1.707,508 0.885,509 1.472,510 0.829,511 0.959,512 0.768,513 1.492,514 0.964,515 0.545,516 1.182,517 1.091,518 1.224,519 0.446,520 1.181,521 1.072,522 0.973,523 1.024,524 1.005,525 1.157,526 0.996,527 6,528 0.082,529 3.556,530 1.875,531 1.512,532 0.636,533 0.416,534 0.377,535 0.182,536 0.156,537 6227,538 11874,539 2.03,540 55.6,541 7,542 13,547 8,548 2,550 1.669,551 1.882,552 3.302,553 -0.782,555 1,559 78.847,560 1.46,561 2.795,562 4.158,563 4.782,564 4.986,565 4.986,566 2.757,567 4.335,568 4.555,569 3.449,570 951.908,571 7.863,572 11125.7,574 1,576 1,577 310.764,578 1.601,579 4.498,580 0.231,581 0.006,582 0.096,583 0.052,584 0.046,585 0.021,586 0.015,587 0.015,588 0.01,589 0.01,590 0.502,591 0.5,592 1,593 0.622,594 113.989,595 0.195,596 -0.227,597 0.253,598 -0.09,599 -0.114,600 0.005,601 0.273,602 0.056,603 0.101,604 0.073,605 0.279,606 0.021,607 -0.029,608 -0.075,609 -0.043,610 -0.093,611 0.064,612 -0.085,613 -0.055,614 -0.043,615 -0.037,616 -0.052,617 -0.038,618 -0.013,619 -0.144,620 -0.011,621 -0.05,622 0.008,623 -0.081,624 0.052,625 -0.129,626 0.173,627 -0.091,628 0.099,629 -0.154,630 -0.024,631 0.017,632 -0.16,633 -0.094,634 -0.165,635 0.025,636 -0.145,637 -0.062,638 -0.076,639 -0.061,640 -0.06,641 -0.062,642 -0.046,643 4.274,644 6.003,645 0.708,646 20.069,647 0.987,648 1.132,649 2.859,650 8.175,651 0.634,652 3.296,653 3.638,654 3.871,655 4.078,656 4.22,657 4.159,658 4.205,659 4.22,660 4.277,661 4.317,662 5.918,663 0.575,664 350.58,665 3.296,666 4.844,667 5.687,668 6.569,669 7.434,670 8.32,671 9.196,672 10.085,673 10.967,674 11.858,675 3.7,678 2,688 4,693 2,695 6,714 54,716 8,717 1,718 26,720 56,721 19,722 6,723 2,724 4,730 3,731 3,736 2,740 5,741 1,743 6,745 6,746 13,747 1,750 2,753 1,755 2,761 1,764 30,765 4,767 5,768 1,773 2,777 1,778 2,789 1,792 1,793 2,815 1,819 3,821 1,823 2,827 24,830 1,833 9,837 2,838 2,847 3.7,850 2,854 12.75,855 9.9,856 5.194,857 3.653,858 1.045,859 1.152,860 0.954,861 5.637,862 7.907,863 3.466,864 3.998,865 4.385,866 4.776,867 5.158,868 5.121,869 5.347,870 5.084,871 5.207,872 5.256,873 0.857,874 36,875 9.211,877 4.121,878 7.601,879 18.087,881 15.772,883 2.101,884 50.417,885 0.001,886 1,887 1,888 353.133,889 87.195,890 4.643,892 44.313,894 5.807,895 81.387,896 397.446,897 4.643,898 17.65,899 21.095,900 43.712,901 44.313,902 9.379,904 353.133,906 353.133,907 86.03,908 44.313,909 5.807,911 235.422,912 162.024,915 43.389,916 42.641,917 5.807,919 353.133,920 48.956,921 87.195,923 5.807,924 353.133,925 25.832,926 60.198,928 44.313,929 353.133,930 48.956,931 87.195,933 0.59,934 0.34,935 0.173,936 0.092,937 18,938 8,939 0.089,940 5,942 1,943 3.573,944 192.176,946 17,947 100.039,950 1,951 17.912,952 7.552,953 4.212,955 48.956,956 7.292,961 1.44,964 489.284,965 31,968 -3.357,970 26.007,975 53.305,976 61.148,977 0.254,978 0.486,979 0.722,980 0.831,981 0.866,982 0.866,983 4.741,984 1.132,985 5.714,986 3.122,987 4.317,988 4.682,989 0.824,990 6.578,991 4.232,992 5.938,993 1,994 7.319,995 2.54,996 4.111,997 4.82,998 0.325,999 7.888,1000 3.921,1001 7.282,1002 0.787,1003 9.051,1004 2.275,1005 6.009,1006 6.911,1007 0.413,1008 10.975,1009 5.796,1010 8.674,1011 0.583,1012 10.868,1013 2.049,1014 6.648,1015 7.942,1016 0.268,1017 13.189,1018 6.303,1019 10.115,1020 -0.173,1021 12.745,1022 1.36,1023 8.084,1024 9.643,1025 0.246,1026 15.937,1027 7.702,1028 11.591,1029 -0.403,1030 14.666,1031 -0.38,1032 9.086,1033 11.011,1034 0.188,1035 18.442,1036 8.573,1037 13.096,1038 -0.771,1039 16.618,1040 -0.895,1041 10.382,1042 12.61,1043 0.157,1044 21.109,1045 9.809,1046 3.552,1047 -0.822,1048 18.595,1049 -2.08,1050 11.538,1051 14.098,1052 0.125,1053 23.701,1054 10.847,1055 2.676,1056 13.917,1057 20.59,1058 -2.181,1059 12.799,1060 15.67,1061 0.102,1062 26.346,1063 12.031,1064 2.576,1065 8.405,1066 22.598,1067 4.767,1068 14.018,1069 17.202,1070 0.082,1071 28.965,1072 13.145,1073 2.318,1074 7.146,1075 24.615,1076 3.421,1077 15.274,1078 18.766,1079 0.067,1080 31.602,1081 14.317,1082 2.083,1083 6.381,1084 26.639,1085 2.69,1086 16.52,1087 20.315,1088 0.054,1089 34.231,1090 15.466,1091 1.562,1092 5.685,1093 28.668,1094 2.569,1095 17.779,1096 21.877,1097 0.043,1098 36.865,1099 16.639,1100 1.298,1101 4.496,1102 30.702,1103 2.163,1104 19.036,1105 23.433,1106 0.035,1107 39.497,1108 17.805,1109 6091,1110 8620,1111 16.989,1112 34.228,1113 38.882,1114 39.753,1115 40.215,1116 39.176,1117 39.133,1118 46.214,1119 2.4,1120 114.754,1121 37.649,1122 5.949,1123 6.731,1124 7.275,1125 5.54,1126 5.552,1127 7.767,1128 1.2,1129 22.226,1130 5.267,1131 12.139,1132 1.495,1133 1.529,1134 1.547,1135 1.507,1136 1.505,1137 1.777,1138 0.092,1139 4.414,1140 1.448,1141 4.117,1142 4.112,1143 4.744,1144 4.092,1145 7.715,1146 4.009,1147 3.891,1148 3.948,1149 3.771,1150 3.761,1151 6.999,1152 3.754,1153 3.807,1154 3.859,1155 3.735,1156 3.696,1157 4.706,1158 3.68,1159 3.546,1160 3.545,1161 3.589,1162 3.472,1163 4.386,1164 3.391,1165 3.408,1166 3.472,1167 3.233,1168 3.239,1169 4.243,1170 3.222,1171 3.124,1172 3.22,1173 2.931,1174 2.977,1175 3.915,1176 2.949,1177 3.119,1178 3.206,1179 2.878,1180 2.941,1181 3.879,1182 2.91,1183 3.111,1184 3.203,1185 2.866,1186 2.922,1187 3.57,1188 2.898,1189 0.19,1190 0.182,1191 0.297,1192 0.172,1193 0.137,1194 4.949,1195 0.183,1196 4.731,1197 0.031,1198 7.725,1199 0.535,1200 4.478,1201 0.126,1202 3.552,1203 4.767,1204 0.8,1205 13.917,1206 3.267,1207 1.977,1208 1.982,1209 2.085,1210 2.056,1211 1.451,1212 2.086,1213 1.867,1214 1.806,1215 2.025,1216 2.028,1217 1.315,1218 2.054,1219 1.68,1220 1.636,1221 1.912,1222 1.837,1223 1.227,1224 1.867,1225 1.579,1226 1.545,1227 1.779,1228 1.755,1229 1.097,1230 1.791,1231 1.383,1232 1.335,1233 1.587,1234 1.584,1235 0.861,1236 1.624,1237 1.214,1238 1.131,1239 1.536,1240 1.435,1241 0.825,1242 1.483,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.692,1248 1.429,1249 1.12,1250 1.055,1251 1.395,1252 1.337,1253 0.605,1254 1.389,1255 3.97,1257 5.303,1258 2.398,1259 6.828,1260 4.595,1261 8.439,1262 6.605,1263 10.098,1265 4.266,1271 9.5,1275 1.001,1276 4.268,1280 31.035,1281 78.847,1282 150.943,1283 224.525,1284 258.235,1285 269.254,1286 269.254,1287 53.129,1288 6.862,1289 40.62,1290 49,1291 17,1292 12.388,1293 3.17,1294 2.585,1295 39.28,1296 83,1297 95,1298 0.229,1299 194.775,1300 339.45,1301 467.01,1302 8402,1304 17.156,1305 0.715,1306 0.657,1307 17.406,1308 15.764,1309 11.464,1310 0.441,1311 0.412,1312 9.316,1313 10.387,1314 8.903,1315 7.401,1316 12.253,1317 10.715,1318 10.791,1319 0.292,1320 0.255,1321 12.091,1322 9.432,1323 8.684,1324 0.185,1325 0.16,1326 10.01,1327 7.522,1328 6.842,1329 0.118,1330 0.1,1331 8.107,1332 5.771,1333 5.276,1334 0.079,1335 0.063,1336 6.407,1337 4.234,1338 0.357,1339 78.8,1340 0.243,1341 23.421,1342 0.635,1343 126,1344 295.622,1345 175.024,1346 306.51,1347 416.24,1348 282,1349 147,1350 276.499,1351 206.009,1352 318.398,1353 465.82,1354 298,1355 5.5} {0 CHEMBL126340,1 1.547,2 9.419,3 5.571,4 31.038,5 124.211,6 7.865,7 0.647,8 4.093,9 4.189,10 3.852,11 3.735,12 5.165,13 3.679,14 4.628,15 4.779,16 4.168,17 4.126,18 5.851,19 4.058,20 4.862,21 5.025,22 4.314,23 4.3,24 6.014,25 4.2,26 5.024,27 5.215,28 4.369,29 4.307,30 6.243,31 4.228,32 4.979,33 5.154,34 4.357,35 4.294,36 6.354,37 4.237,38 4.946,39 5.092,40 4.343,41 4.373,42 6.193,43 4.298,44 5.066,45 5.237,46 4.233,47 4.394,48 6.261,49 4.291,50 5.043,51 5.256,52 4.023,53 4.292,54 6.131,55 4.149,56 0.063,57 0.758,58 13.16,59 5.489,60 15.129,61 6.539,62 0.315,63 1.266,64 21.38,65 8.834,66 45.069,67 10.925,68 0.148,69 1.558,70 30.272,71 12.602,72 32.362,73 14.955,74 0.314,75 1.755,76 40.186,77 14.641,78 77.713,79 16.802,80 0.57,81 1.673,82 35.282,83 12.835,84 128.11,85 14.759,86 0.259,87 1.67,88 33.459,89 13.273,90 58.461,91 15.087,92 0.401,93 1.792,94 38.017,95 14.867,96 96.772,97 17.462,98 0.517,99 1.764,100 36.019,101 14.201,102 82.147,103 17.992,104 29,105 49,106 0.251,107 0.513,108 0.641,109 0.769,110 0.815,111 0.821,112 3.473,113 1.016,114 -4.93,115 -4.83,116 -4.53,119 45.5,121 1,124 2,125 1,140 14,141 3,142 1,150 2,155 1,169 16,171 3,172 5,178 17,181 1,182 13,189 12,193 21,199 5,202 2,203 16,211 12,214 1,215 15,222 22,226 6,233 28,236 3,237 4,244 23,249 4,256 13,259 1687,260 20.722,261 20.722,262 20.722,263 20.722,264 20.722,265 17.854,266 10.944,267 12.27,268 21.007,269 16.789,270 16.789,271 16.789,272 16.789,273 16.789,274 12.372,275 8.069,276 5.826,277 17.252,278 4.234,279 2.615,280 1.827,281 1.039,282 0.755,283 0.718,284 4.164,288 1,289 1,290 622,291 4.183,294 64.807,295 267.014,298 126.836,302 1.363,303 39.531,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 66,315 292,316 5.072,317 4.726,318 7.821,319 4.572,320 3.632,321 5.034,322 0.8,323 14.467,324 3.413,325 4.519,326 3.611,327 6.748,328 4.031,329 3.061,330 4.39,332 10.812,333 2.944,334 4.202,335 3.153,336 6.343,337 3.841,338 2.827,339 3.754,341 9.487,342 2.859,343 3.737,344 2.64,345 5.817,346 3.326,347 2.36,348 3.243,350 7.544,351 2.277,352 3.504,353 2.426,354 5.164,355 3.096,356 2.163,357 2.955,359 5.859,360 2.021,361 3.377,362 2.179,363 4.992,364 2.991,365 1.989,366 2.707,368 5.364,369 1.991,370 3.16,371 1.967,372 4.636,373 2.847,374 1.865,375 2.261,377 4.995,378 1.817,379 3.023,380 1.716,381 4.276,382 2.531,383 1.527,384 2.184,386 3.698,387 1.531,388 2.813,389 1.473,390 4.038,391 2.343,392 1.354,393 1.951,395 3.307,396 1.336,397 2.695,398 1.324,399 3.692,400 2.198,401 1.206,402 1.765,404 2.789,405 1.193,406 2.5,407 1.254,408 3.492,409 2,410 1,411 1.5,413 2.29,414 1,415 2.5,416 1,417 3.332,418 2,419 1,420 1.5,422 2.136,423 1,424 2.356,425 1,426 3.247,427 1.869,428 0.891,429 1.198,431 2.136,432 0.869,433 2.264,434 0.991,435 3.247,436 1.731,437 0.682,438 1.063,440 1.729,441 0.708,442 1.639,443 0.506,444 3.035,445 1.386,446 0.404,447 0.49,449 0.97,450 0.396,451 15.133,452 0.488,453 0.866,454 0.028,455 43.5,456 1.403,457 24.5,458 0.79,459 19,460 0.613,461 24.636,462 0.795,463 32.267,464 0.587,465 37.814,466 1.22,467 8.661,468 0.279,469 6.231,470 0.201,471 0.132,472 0.055,473 0.284,479 0.461,480 1.274,481 0.806,482 1.168,483 0.6,484 0.939,485 0.687,486 0.923,487 0.809,488 0.815,489 0.565,490 0.83,491 0.835,492 1.141,493 1.034,494 1.132,495 0.792,496 1.02,497 1.356,498 1.053,499 1.031,500 1.049,501 1.393,502 0.855,503 1.486,504 0.868,505 0.951,506 0.811,507 1.42,508 0.761,509 1.283,510 1.037,511 1.218,512 1.139,513 1.22,514 1.016,515 1.45,516 1.059,517 1.209,518 1.11,519 1.548,520 1.116,521 1.07,522 0.966,523 1.052,524 0.985,525 1.164,526 1.141,527 6,528 0.124,529 4.222,530 3.007,531 2.473,532 1.744,533 1.116,534 0.622,535 0.321,536 0.16,537 10883,538 28012,539 2.057,540 43.6,542 22,547 2,550 1.748,551 1.908,552 3.207,553 -0.799,559 85.084,560 1.547,561 3.166,562 3.955,563 4.742,564 5.027,565 5.063,566 2.54,567 4.438,568 4.919,569 3.382,570 1572.69,571 8.664,572 21409,577 317.975,578 1.595,579 4.87,580 0.176,581 0.007,582 0.086,583 0.057,584 0.044,585 0.03,586 0.019,587 0.012,588 0.008,589 0.005,590 0.445,591 0.17,592 1,593 1.064,594 156.462,595 0.129,596 -0.175,597 0.21,598 -0.089,599 -0.114,600 0.008,601 0.2,602 0.176,603 0.11,604 0.141,605 0.164,606 0.089,607 0.051,608 -0.1,609 0.053,610 -0.062,611 0.058,612 -0.048,613 -0.036,614 -0.048,615 0.126,616 0.016,617 -0.013,618 0.115,619 0.02,620 0.158,621 0.087,622 0.169,623 0.135,624 0.162,625 -0.127,626 0.006,627 -0.156,628 -0.096,629 -0.04,630 -0.077,631 -0.217,632 -0.095,633 -0.235,634 -0.121,635 -0.193,636 -0.162,637 -0.047,638 -0.003,639 -0.175,640 -0.069,641 -0.128,642 -0.175,643 4.885,644 6.645,645 0.677,646 29.041,647 1,648 1.111,649 3.699,650 13.685,651 0.698,652 3.555,653 3.912,654 4.22,655 4.533,656 4.812,657 4.956,658 5.136,659 5.273,660 5.352,661 5.371,662 5.957,663 0.658,664 432.58,665 3.555,666 5.118,667 5.989,668 6.899,669 7.803,670 8.728,671 9.648,672 10.583,673 11.513,674 12.453,675 3.6,678 1,683 1,687 2,688 14,693 4,694 1,695 22,700 1,714 55,716 25,717 3,718 34,720 58,721 25,722 20,723 5,724 13,725 1,730 4,731 5,743 1,745 21,746 4,750 3,753 1,755 3,759 1,764 24,765 4,767 6,768 1,773 2,777 0.75,778 3,788 1,792 1,793 3,796 1,815 1,819 3,821 1,823 2,827 31,830 1,833 2,838 1,847 5.5,850 3,854 16.25,855 10.483,856 6.75,857 3.175,858 3.841,859 1.496,860 1.012,861 5.883,862 11.577,863 3.892,864 4.557,865 5.201,866 5.85,867 6.442,868 6.822,869 7.289,870 7.713,871 8.019,872 8.359,873 0.714,874 53,875 11.868,877 5.456,878 7.841,879 21.961,881 18.384,883 2.341,884 72.583,888 282.506,889 180.437,890 3.418,892 69.458,894 5.807,895 174.63,896 351.964,897 3.418,898 16.793,899 4.64,900 138.475,901 74.591,902 13.913,903 4.901,904 282.506,906 282.506,907 178.047,908 69.458,909 5.807,911 258.964,912 93,915 8.058,916 169.989,917 5.807,919 282.506,920 72.876,921 180.437,923 5.807,924 282.506,925 25.169,926 152.878,928 69.458,929 282.506,930 72.876,931 180.437,933 0.585,934 0.341,935 0.189,936 0.111,937 24,938 11,939 0.121,940 7,941 1,942 1.095,943 3.968,944 299.27,945 0.095,946 21,947 141.58,950 1,951 21.203,952 8.602,953 4.106,954 1.294,955 72.582,956 24.313,961 1.746,962 1.201,964 535.819,965 48,968 -3.969,970 40.689,974 -0.324,975 54.982,976 61.112,977 0.268,978 0.548,979 0.684,980 0.82,981 0.869,982 0.876,983 5.133,984 1.527,985 6.014,986 4.995,987 4.595,988 5.244,989 0.673,990 6.925,991 4.542,992 6.387,993 1.354,994 7.64,995 3.698,996 4.369,997 5.293,998 0.325,999 8.23,1000 4.235,1001 7.746,1002 1.206,1003 9.391,1004 3.307,1005 6.304,1006 7.617,1007 0.379,1008 11.387,1009 6.17,1010 9.156,1011 1,1012 11.222,1013 2.789,1014 6.948,1015 8.554,1016 0.268,1017 13.571,1018 6.718,1019 10.61,1020 1,1021 13.106,1022 2.29,1023 8.407,1024 10.387,1025 0.239,1026 16.35,1027 8.162,1028 12.098,1029 0.891,1030 15.028,1031 2.136,1032 9.419,1033 11.705,1034 0.188,1035 18.841,1036 9.082,1037 13.611,1038 0.682,1039 16.978,1040 2.136,1041 10.728,1042 13.371,1043 0.156,1044 21.527,1045 10.353,1046 3.632,1047 0.404,1048 18.948,1049 1.729,1050 11.893,1051 14.85,1052 0.125,1053 24.127,1054 11.433,1055 3.061,1056 14.467,1057 20.933,1058 0.97,1059 13.162,1060 16.462,1061 0.102,1062 26.794,1063 12.648,1064 2.827,1065 10.812,1066 22.931,1067 5.034,1068 14.389,1069 18.009,1070 0.082,1071 29.436,1072 13.798,1073 2.36,1074 9.487,1075 24.939,1076 4.39,1077 15.654,1078 19.608,1079 0.066,1080 32.101,1081 14.999,1082 2.163,1083 7.544,1084 26.956,1085 3.754,1086 16.908,1087 21.185,1088 0.054,1089 34.759,1090 16.18,1091 1.989,1092 5.859,1093 28.979,1094 3.243,1095 18.177,1096 22.782,1097 0.043,1098 37.426,1099 17.381,1100 1.865,1101 5.364,1102 31.007,1103 2.955,1104 19.445,1105 24.374,1106 0.035,1107 40.092,1108 18.578,1109 10591,1110 17225,1111 22.364,1112 38.398,1113 52.367,1114 53.549,1115 53.29,1116 52.047,1117 51.924,1118 71.987,1119 1.6,1120 155.166,1121 50.709,1122 5.901,1123 6.726,1124 7.623,1125 5.627,1126 5.632,1127 8.034,1128 1.2,1129 23.047,1130 5.413,1131 15.778,1132 1.54,1133 1.575,1134 1.567,1135 1.531,1136 1.527,1137 2.117,1138 0.047,1139 4.564,1140 1.491,1141 4.246,1142 4.247,1143 4.779,1144 4.198,1145 7.716,1146 4.155,1147 3.945,1148 3.949,1149 4.02,1150 3.919,1151 7.427,1152 3.88,1153 3.889,1154 3.915,1155 3.825,1156 3.832,1157 6.999,1158 3.827,1159 3.688,1160 3.757,1161 3.675,1162 3.565,1163 4.871,1164 3.53,1165 3.561,1166 3.581,1167 3.5,1168 3.399,1169 4.72,1170 3.377,1171 3.368,1172 3.36,1173 3.337,1174 3.264,1175 4.709,1176 3.246,1177 3.178,1178 3.259,1179 2.997,1180 3.015,1181 4.321,1182 2.996,1183 3.021,1184 3.044,1185 2.948,1186 2.888,1187 4.164,1188 2.894,1189 0.149,1190 0.139,1191 0.23,1192 0.134,1193 0.107,1194 5.072,1195 0.148,1196 4.726,1197 0.024,1198 7.821,1199 0.425,1200 4.572,1201 0.1,1202 3.632,1203 5.034,1204 0.8,1205 14.467,1206 3.413,1207 2.01,1208 2.014,1209 2.064,1210 2.088,1211 1.305,1212 2.114,1213 1.938,1214 1.921,1215 2.023,1216 2.012,1217 1.191,1218 2.026,1219 1.896,1220 1.874,1221 1.993,1222 1.971,1223 1.082,1224 1.99,1225 1.625,1226 1.6,1227 1.842,1228 1.837,1229 0.998,1230 1.847,1231 1.559,1232 1.491,1233 1.611,1234 1.727,1235 0.806,1236 1.739,1237 1.267,1238 1.283,1239 1.519,1240 1.415,1241 0.681,1242 1.455,1243 1.192,1244 1.111,1245 1.417,1246 1.396,1247 0.469,1248 1.424,1249 0.978,1250 0.945,1251 1.216,1252 1.239,1253 0.468,1254 1.308,1255 4.234,1257 5.58,1258 2.398,1259 7.132,1260 4.844,1261 8.78,1262 7.096,1263 10.485,1265 3.991,1271 1.566,1276 2.076,1280 36.169,1281 85.084,1282 174.15,1283 217.511,1284 260.814,1285 276.465,1286 278.465,1287 72.741,1288 7.736,1289 59.38,1290 67.76,1291 23,1292 12.951,1293 4.7,1294 3.907,1295 48.779,1296 105,1297 125,1298 0.223,1299 225.512,1300 385.86,1301 542.01,1302 22088,1304 22.01,1305 0.71,1306 0.592,1307 22.26,1308 18.341,1309 14.892,1310 0.438,1311 0.339,1312 10.101,1313 13.76,1314 9.656,1315 8.072,1316 15.681,1317 11.518,1318 13.829,1319 0.282,1320 0.194,1321 15.11,1322 9.497,1323 11.435,1324 0.171,1325 0.105,1326 12.749,1327 7.012,1328 9.664,1329 0.105,1330 0.057,1331 11.04,1332 5.207,1333 8.136,1334 0.067,1335 0.032,1336 9.459,1337 3.845,1338 0.335,1339 100.075,1340 0.211,1341 28.281,1342 0.667,1343 166,1344 467.357,1345 216.795,1346 479.451,1347 654.96,1348 442,1349 199,1350 454.487,1351 262.06,1352 504.799,1353 742.88,1354 472,1355 7.009} {0 CHEMBL127411,1 1.6,2 9.192,3 3.633,4 13.201,5 102.986,6 7.719,7 0.552,8 3.977,9 4.074,10 3.736,11 3.581,12 5,13 3.527,14 4.551,15 4.709,16 4.097,17 4.021,18 5.742,19 3.958,20 4.807,21 4.957,22 4.254,23 4.238,24 5.947,25 4.145,26 5.042,27 5.248,28 4.236,29 4.256,30 6.196,31 4.158,32 4.974,33 5.196,34 4.082,35 4.149,36 6.086,37 4.029,38 4.766,39 4.959,40 3.921,41 4.019,42 5.874,43 3.905,44 4.724,45 4.95,46 3.699,47 3.87,48 5.964,49 3.737,50 4.441,51 4.648,52 3.416,53 3.707,54 5.494,55 3.55,56 0.085,57 0.704,58 12.766,59 4.984,60 19.004,61 5.953,62 0.349,63 1.188,64 21.013,65 8.257,66 49.278,67 10.304,68 0.168,69 1.506,70 29.35,71 11.936,72 33.969,73 14.145,74 0.376,75 1.75,76 39.729,77 14.142,78 76.566,79 17.121,80 0.545,81 1.605,82 38.971,83 13.305,84 83.78,85 16.015,86 0.316,87 1.345,88 33.12,89 11.398,90 68.618,91 13.57,92 0.731,93 1.228,94 28.799,95 9.565,96 114.708,97 12.086,98 0.127,99 0.968,100 23.757,101 8.955,102 34.952,103 10.903,104 38,105 45,106 0.27,107 0.589,108 0.757,109 0.812,110 0.821,111 0.821,112 3.306,113 1.039,114 -3.61,115 -3.58,116 -3.41,119 41.7,120 1,121 1,124 2,127 2,140 7,141 4,142 1,149 1,150 1,169 11,171 3,172 4,176 1,178 12,182 11,184 1,186 3,189 9,193 15,197 2,199 3,202 1,203 10,206 1,208 1,211 7,215 6,222 12,225 2,229 2,233 11,237 2,242 2,244 8,249 2,254 2,256 4,259 882,260 16.979,261 16.979,262 16.979,263 16.979,264 16.979,265 14.899,266 17.512,267 9.464,268 17.303,269 14.259,270 14.259,271 14.259,272 14.259,273 14.259,274 10.971,275 19.126,276 4.433,277 14.822,278 3.985,279 2.094,280 1.097,281 0.771,282 0.714,283 0.714,284 3.994,287 1,288 1,289 1,290 517,291 3.674,294 43.327,295 178.617,298 161.709,299 88.92,300 102.501,302 1.376,303 34.351,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56,315 239,316 5.045,317 4.722,318 7.747,319 4.54,320 3.6,321 5.011,322 0.8,323 14.075,324 3.396,325 4.617,326 3.545,327 6.996,328 4.213,329 3.248,330 4.47,331 0.765,332 11.823,333 3.097,334 3.952,335 2.995,336 6.371,337 3.702,338 2.753,339 3.443,341 9.459,342 2.606,343 3.813,344 2.622,345 5.779,346 3.412,347 2.419,348 3.133,350 7.368,351 2.403,352 3.529,353 2.554,354 5.462,355 3.219,356 2.246,357 2.822,359 6.648,360 2.185,361 3.337,362 2.215,363 5.127,364 2.942,365 1.973,366 2.567,368 6.091,369 1.903,370 3.071,371 1.886,372 4.907,373 2.638,374 1.666,375 2.27,377 4.943,378 1.617,379 2.693,380 1.491,381 4.391,382 2.294,383 1.342,384 1.767,386 3.677,387 1.27,388 2.63,389 1.304,390 4.021,391 2.225,392 1.232,393 1.639,395 2.93,396 1.221,397 2.5,398 1.071,399 3.736,400 2,401 1,402 1.5,404 2.776,405 1,406 2.332,407 1,408 3.414,409 1.934,410 0.975,411 1.285,413 2.275,414 0.931,415 1.504,416 0.63,417 3.229,418 1.251,419 0.311,420 0.359,422 0.803,423 0.289,424 1.119,425 0.336,426 2.915,427 0.755,428 -0.224,429 -0.283,431 -0.494,432 -0.217,433 1,434 -0.184,435 2.719,436 0.505,437 -0.481,438 -0.564,440 -1.464,441 -0.471,442 0.844,443 -0.351,444 2.547,445 0.33,446 -0.619,447 -0.8,449 -1.57,450 -0.584,451 12.633,452 0.486,453 0.955,454 0.037,455 33.5,456 1.288,457 17,458 0.654,459 16.5,460 0.635,461 22.722,462 0.874,463 28.167,464 0.587,465 26.937,466 1.036,467 6.403,468 0.246,469 5.9,470 0.227,471 0.198,472 0.066,473 0.38,479 0.604,480 1.339,481 0.834,482 1.205,483 0.747,484 0.962,485 0.731,486 0.865,487 0.756,488 0.738,489 0.6,490 0.752,491 0.867,492 1.253,493 1.097,494 1.227,495 0.789,496 1.108,497 1.271,498 1.08,499 1.007,500 1.022,501 1.221,502 0.964,503 1.352,504 0.852,505 1.06,506 0.902,507 1.34,508 0.894,509 1.164,510 1.201,511 1.299,512 1.313,513 1.311,514 1.13,515 1.241,516 0.724,517 1.039,518 0.766,519 1.344,520 0.946,521 0.756,522 1.287,523 1.397,524 1.483,525 0.753,526 1.296,527 6.5,528 0.107,529 4.444,530 3.097,531 2.316,532 1.386,533 0.857,534 0.47,535 0.295,536 0.137,537 6838,538 17233,539 2.046,540 45.8,541 3,542 15,543 1,545 1,547 2,550 1.697,551 1.846,552 3.163,553 -0.332,555 1,559 76.777,560 1.6,561 3.491,562 4.488,563 4.814,564 4.871,565 4.871,566 2.662,567 4.21,568 4.67,569 3.27,570 1062.89,571 8.126,572 12352,574 1,576 1,577 268.078,578 1.729,579 4.59,580 0.224,581 0.012,582 0.099,583 0.062,584 0.048,585 0.035,586 0.024,587 0.017,588 0.013,589 0.01,590 0.545,591 0.5,592 1,593 0.85,594 123.261,595 0.085,596 -0.171,597 0.219,598 -0.062,599 -0.166,600 0.031,601 0.172,602 0.262,603 0.163,604 0.237,605 0.172,606 0.192,607 0.005,608 -0.168,609 -0.045,610 -0.141,611 0.043,612 -0.125,613 -0.101,614 -0.091,615 0.011,616 -0.036,617 -0.022,618 -0.004,619 -0.106,620 0.124,621 0.002,622 0.093,623 -0.098,624 0.068,625 -0.094,626 -0.201,627 -0.166,628 -0.223,629 -0.129,630 -0.139,631 0.058,632 0.25,633 -0.106,634 0.132,635 0.039,636 -0.016,637 -0.018,638 -0.312,639 -0.282,640 -0.365,641 0.048,642 -0.261,643 4.611,644 6.207,645 0.692,646 19.45,647 1.002,648 1.119,649 2.376,650 5.643,651 0.68,652 3.401,653 3.829,654 4.174,655 4.5,656 4.804,657 5.004,658 5.204,659 5.375,660 5.438,661 5.455,662 5.327,663 0.638,664 370.51,665 3.401,666 5.004,667 5.905,668 6.843,669 7.769,670 8.713,671 9.65,672 10.598,673 11.54,674 12.491,675 4.2,678 1,683 1,687 2,688 8,693 4,694 1,695 16,714 48,716 18,717 2,718 29,720 51,721 20,722 14,723 5,724 7,730 4,731 8,736 1,740 3,743 3,745 14,746 6,750 2,753 1,755 2,760 1,761 1,764 22,765 4,766 1,767 6,768 1,773 2,777 0.5,778 3,780 1,788 1,792 1,793 3,796 2,797 1,798 1,815 1,817 1,819 2,821 1,823 3,827 26,830 1,832 1,833 1,837 2,838 1,847 6.3,848 1,850 2,854 14.083,855 9.433,856 5.444,857 2.732,858 3.078,859 1.396,860 0.98,861 4.048,862 10.843,863 3.689,864 4.404,865 5.055,866 5.709,867 6.304,868 6.746,869 7.177,870 7.595,871 7.867,872 8.184,873 1,874 50,875 9.961,877 4.694,878 7.849,879 18.597,881 16.293,883 2.349,884 61.083,887 1,888 247.193,889 125.166,890 3.418,892 86.996,894 5.807,895 119.358,896 334.189,897 3.418,898 25.618,899 2.535,900 123.872,901 44.313,902 17.098,903 13.915,904 235.422,906 247.193,907 122.776,908 86.996,909 5.807,911 223.651,912 67.855,913 42.683,915 14.777,916 107.998,917 5.807,919 247.193,920 90.414,921 125.166,923 5.807,924 247.193,925 18.359,926 104.417,928 86.996,929 247.193,930 90.414,931 125.166,933 0.611,934 0.369,935 0.197,936 0.113,937 25,938 12,939 0.059,940 3,941 3,942 1.278,943 3.525,944 242.732,945 0.333,946 17,947 114.211,950 1,951 17.44,952 6.034,953 2.651,954 1.475,955 90.121,956 14.083,961 3.024,962 1.358,963 42.683,964 462.773,965 39,968 -3.694,970 26.414,975 48.098,976 53.697,977 0.286,978 0.625,979 0.804,980 0.862,981 0.872,982 0.872,983 4.984,984 1.342,985 5.974,986 4.943,987 4.511,988 5.091,989 1.141,990 6.932,991 4.434,992 6.265,993 1.232,994 7.639,995 3.677,996 4.443,997 5.293,998 0.325,999 8.277,1000 4.285,1001 7.653,1002 1,1003 9.416,1004 2.93,1005 6.29,1006 7.506,1007 0.763,1008 11.417,1009 6.117,1010 9.084,1011 0.975,1012 11.262,1013 2.776,1014 7.013,1015 8.534,1016 0.268,1017 13.576,1018 6.747,1019 10.554,1020 0.311,1021 13.152,1022 2.275,1023 8.433,1024 10.317,1025 0.513,1026 16.334,1027 8.143,1028 12.053,1029 -0.224,1030 15.073,1031 0.803,1032 9.476,1033 11.682,1034 0.188,1035 18.786,1036 9.1,1037 13.574,1038 -0.481,1039 17.017,1040 -0.494,1041 10.768,1042 13.329,1043 0.339,1044 21.442,1045 10.352,1046 3.6,1047 -0.619,1048 18.979,1049 -1.464,1050 11.938,1051 14.83,1052 0.125,1053 24.001,1054 11.448,1055 3.248,1056 14.075,1057 20.955,1058 -1.57,1059 13.196,1060 16.434,1061 0.219,1062 26.632,1063 12.656,1064 2.753,1065 11.823,1066 22.942,1067 5.011,1068 14.418,1069 17.989,1070 0.082,1071 29.233,1072 13.81,1073 2.419,1074 9.459,1075 24.938,1076 4.47,1077 15.67,1078 19.583,1079 0.139,1080 31.86,1081 15.008,1082 2.246,1083 7.368,1084 26.941,1085 3.443,1086 16.914,1087 21.161,1088 0.054,1089 34.48,1090 16.189,1091 1.973,1092 6.648,1093 28.95,1094 3.133,1095 18.17,1096 22.754,1097 0.087,1098 37.11,1099 17.387,1100 1.666,1101 6.091,1102 30.965,1103 2.822,1104 19.425,1105 24.343,1106 0.035,1107 39.739,1108 18.581,1109 6649,1110 10710,1111 18.611,1112 32.637,1113 45.772,1114 46.423,1115 47.878,1116 45.567,1117 45.527,1118 60.534,1119 3.129,1120 145.735,1121 43.837,1122 5.949,1123 6.722,1124 7.256,1125 5.601,1126 5.6,1127 8.011,1128 1.565,1129 22.559,1130 5.396,1131 15.421,1132 1.578,1133 1.601,1134 1.651,1135 1.571,1136 1.57,1137 2.087,1138 0.108,1139 5.025,1140 1.512,1141 4.253,1142 4.259,1143 4.778,1144 4.205,1145 7.716,1146 4.166,1147 3.974,1148 3.978,1149 4.049,1150 3.948,1151 6.999,1152 3.909,1153 3.713,1154 3.759,1155 3.729,1156 3.608,1157 6.449,1158 3.558,1159 3.588,1160 3.611,1161 3.522,1162 3.453,1163 4.869,1164 3.442,1165 3.345,1166 3.397,1167 3.276,1168 3.231,1169 4.698,1170 3.215,1171 3.239,1172 3.29,1173 3.088,1174 3.04,1175 4.298,1176 3.036,1177 3.021,1178 3.083,1179 2.844,1180 2.839,1181 4.195,1182 2.802,1183 2.874,1184 3.009,1185 2.687,1186 2.735,1187 3.828,1188 2.715,1189 0.174,1190 0.163,1191 0.267,1192 0.157,1193 0.124,1194 5.045,1195 0.173,1196 4.722,1197 0.028,1198 7.747,1199 0.485,1200 4.54,1201 0.117,1202 3.6,1203 5.011,1204 0.8,1205 14.075,1206 3.396,1207 2.026,1208 2.024,1209 2.094,1210 2.102,1211 1.398,1212 2.12,1213 1.966,1214 1.957,1215 2.026,1216 2.041,1217 1.23,1218 2.065,1219 1.713,1220 1.682,1221 1.85,1222 1.873,1223 1.033,1224 1.882,1225 1.514,1226 1.48,1227 1.681,1228 1.718,1229 0.839,1230 1.742,1231 1.334,1232 1.282,1233 1.528,1234 1.506,1235 0.715,1236 1.551,1237 1.097,1238 1.037,1239 1.417,1240 1.339,1241 0.526,1242 1.367,1243 1.071,1244 1.011,1245 1.342,1246 1.288,1247 0.477,1248 1.308,1249 0.934,1250 0.821,1251 1.26,1252 1.239,1253 0.469,1254 1.295,1255 4.078,1257 5.476,1258 2.398,1259 7.079,1260 4.844,1261 8.776,1262 7.096,1263 10.525,1265 5.787,1270 10.761,1271 0.609,1275 -0.717,1276 1.984,1280 30.642,1281 76.777,1282 167.566,1283 215.407,1284 231.059,1285 233.814,1286 233.814,1287 56.726,1288 7.765,1289 62.54,1290 70.92,1291 23,1292 12.981,1293 4.248,1294 3.459,1295 37.804,1296 83,1297 96,1298 0.234,1299 189.26,1300 320.82,1301 453.555,1302 22431,1304 18.637,1305 0.717,1306 0.61,1307 18.887,1308 15.863,1309 12.303,1310 0.424,1311 0.346,1312 8.621,1313 11.161,1314 8.168,1315 6.797,1316 13.091,1317 10.041,1318 12.219,1319 0.272,1320 0.2,1321 13.519,1322 9.004,1323 10.487,1324 0.164,1325 0.109,1326 11.801,1327 6.947,1328 8.909,1329 0.1,1330 0.058,1331 10.116,1332 5.184,1333 7.468,1334 0.062,1335 0.034,1336 8.681,1337 4.095,1338 0.351,1339 84.539,1340 0.232,1341 24.241,1342 0.695,1343 148,1344 397.771,1345 198.795,1346 408.516,1347 560.68,1348 376,1349 183,1350 389.123,1351 244.556,1352 437.417,1353 649.22,1354 408,1355 5.409} {0 CHEMBL1275630,1 1.562,2 10.031,3 5.005,4 25.052,5 130.194,6 7.477,7 0.583,8 4.192,9 4.307,10 3.902,11 3.8,12 5.168,13 3.738,14 4.77,15 4.943,16 4.247,17 4.215,18 5.872,19 4.147,20 5.048,21 5.259,22 4.383,23 4.398,24 6.073,25 4.291,26 5.135,27 5.357,28 4.41,29 4.422,30 6.197,31 4.31,32 5.073,33 5.263,34 4.364,35 4.391,36 6.22,37 4.294,38 5.081,39 5.277,40 4.304,41 4.364,42 6.191,43 4.26,44 5.032,45 5.226,46 4.233,47 4.335,48 6.087,49 4.227,50 5.089,51 5.297,52 4.088,53 4.29,54 6.155,55 4.183,56 0.102,57 0.916,58 15.446,59 6.175,60 15.123,61 7.668,62 0.27,63 1.54,64 26.542,65 9.812,66 47.403,67 13.083,68 0.384,69 1.956,70 38.387,71 13.727,72 47.87,73 18.055,74 0.42,75 2.039,76 44.349,77 15.548,78 56.635,79 19.733,80 0.378,81 1.928,82 42.622,83 14.939,84 69.468,85 18.205,86 0.479,87 1.905,88 40.527,89 14.368,90 79.519,91 17.9,92 0.375,93 1.904,94 43.239,95 14.059,96 59.798,97 16.935,98 0.642,99 1.867,100 41.381,101 13.42,102 94.328,103 16.915,104 19,105 53,106 0.25,107 0.528,108 0.679,109 0.797,110 0.823,111 0.833,112 3.503,113 1.052,114 -4.72,115 -4.63,116 -4.36,119 41.7,120 2,122 1,125 5,140 10,141 3,142 2,145 1,150 1,164 1,169 13,171 1,172 6,178 14,181 2,182 15,184 1,189 11,192 2,193 13,199 9,202 2,203 13,208 2,211 13,214 2,215 12,220 2,222 12,226 11,233 11,237 6,240 2,244 14,249 3,252 2,256 13,259 1786,260 21.617,261 21.617,262 21.617,263 21.617,264 21.617,265 19.046,266 20.975,267 12.657,268 22.156,269 17.814,270 17.814,271 17.814,272 17.814,273 17.814,274 13.77,275 25.243,276 6.016,277 18.74,278 4.345,279 2.605,280 1.658,281 0.917,282 0.758,283 0.692,284 4.21,289 1,290 707,291 3.808,294 65.371,295 324.823,298 119.693,299 129.432,302 1.41,303 34.118,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 321,316 5.069,317 5.366,318 7.797,319 4.502,320 3.619,321 5.045,322 2.95,323 14.31,324 3.214,325 4.562,326 3.403,327 6.735,328 4.075,329 3.109,330 4.509,331 0.8,332 10.911,333 3,334 4.274,335 3.101,336 6.311,337 3.766,338 2.811,339 4.108,340 0.4,341 9.378,342 2.65,343 3.969,344 2.908,345 6.117,346 3.668,347 2.721,348 3.338,350 8.964,351 2.551,352 3.436,353 2.548,354 5.55,355 3.228,356 2.247,357 2.746,359 6.77,360 2.2,361 3.269,362 2.265,363 5.138,364 2.837,365 1.878,366 2.514,368 5.677,369 1.796,370 3.118,371 2.009,372 4.634,373 2.818,374 1.85,375 2.427,377 4.725,378 1.783,379 3.052,380 1.699,381 4.505,382 2.618,383 1.618,384 2.249,386 4.447,387 1.618,388 3.011,389 1.618,390 4.338,391 2.565,392 1.586,393 2.05,395 3.943,396 1.551,397 2.767,398 1.505,399 4.087,400 2.383,401 1.416,402 1.891,404 3.594,405 1.364,406 2.752,407 1.318,408 3.683,409 2.257,410 1.258,411 1.816,413 2.797,414 1.257,415 2.325,416 1.25,417 3.572,418 2.02,419 1.083,420 1.275,422 2.654,423 1.012,424 2.231,425 1.146,426 3.504,427 1.967,428 1,429 1.136,431 2.178,432 0.965,433 2.151,434 1.137,435 3.299,436 1.799,437 0.833,438 1,440 2.136,441 0.799,442 2,443 0.695,444 3.247,445 1.653,446 0.669,447 0.998,449 1.673,450 0.658,451 15.6,452 0.488,453 0.896,454 0.028,455 42,456 1.313,457 21.5,458 0.672,459 20.5,460 0.641,461 29.628,462 0.926,463 34.2,464 0.57,465 34.397,466 1.075,467 7.752,468 0.242,469 7.695,470 0.24,471 0.107,472 0.053,473 0.308,479 0.533,480 1.25,481 0.847,482 1.147,483 0.645,484 0.966,485 0.863,486 1.122,487 0.817,488 0.907,489 0.581,490 0.883,491 0.858,492 0.996,493 0.925,494 0.949,495 0.696,496 0.913,497 1.096,498 0.96,499 0.991,500 0.959,501 1.09,502 0.86,503 1.389,504 1.062,505 1.226,506 1.177,507 1.571,508 0.994,509 1.52,510 1.116,511 1.133,512 1.058,513 1.809,514 1.025,515 1.523,516 1.195,517 1.566,518 1.323,519 1.396,520 1.091,521 2.029,522 0.931,523 1.3,524 0.992,525 2.307,526 1.059,527 6.5,528 0.136,529 4.444,530 3.007,531 2.273,532 1.667,533 1.131,534 0.61,535 0.414,536 0.297,537 12831,538 28752,539 2.127,540 46.7,541 6,542 20,545 1,547 1,550 1.754,551 1.99,552 3.288,553 -0.372,559 93.711,560 1.562,561 3.302,562 4.249,563 4.99,564 5.148,565 5.215,566 2.688,567 4.476,568 4.969,569 3.447,570 1709.54,571 8.746,572 23763.7,574 1,577 354.413,578 1.54,579 4.926,580 0.181,581 0.005,582 0.084,583 0.053,584 0.039,585 0.029,586 0.021,587 0.012,588 0.009,589 0.008,590 0.441,591 0.17,592 0.88,593 0.844,594 163.623,595 0.163,596 -0.06,597 0.202,598 -0.021,599 -0.125,600 0.031,601 0.092,602 -0.003,603 0.116,604 0.071,605 0.205,606 0.072,607 0.095,608 0.075,609 0.113,610 0.071,611 0.116,612 0.06,613 0.058,614 0.068,615 0.131,616 0.097,617 0.09,618 0.12,619 -0.052,620 -0.021,621 -0.048,622 -0.071,623 -0.014,624 -0.014,625 -0.085,626 -0.102,627 -0.072,628 -0.036,629 -0.139,630 -0.067,631 -0.225,632 -0.092,633 -0.283,634 -0.178,635 -0.09,636 -0.122,637 -0.351,638 0.07,639 -0.298,640 -0.043,641 -0.351,642 -0.135,643 4.734,644 6.949,645 0.781,646 30.363,647 0.996,648 1.122,649 3.489,650 12.17,651 0.679,652 3.611,653 3.989,654 4.317,655 4.654,656 4.942,657 5.088,658 5.303,659 5.455,660 5.58,661 5.67,662 6.176,663 0.634,664 448.64,665 3.611,666 5.187,667 6.071,668 6.989,669 7.898,670 8.827,671 9.748,672 10.681,673 11.609,674 12.546,675 6.7,677 1,681 1,683 1,685 1,687 4,688 10,689 1,693 3,694 1,695 21,709 1,714 60,716 23,717 3,718 36,720 64,721 25,722 17,723 6,724 10,730 5,731 7,736 2,745 17,746 8,747 1,750 2,753 1,755 2,764 28,765 5,766 1,767 7,768 1,773 4,777 0.6,778 2,784 1,792 1,793 4,796 1,797 1,814 1,819 3,821 1,823 2,827 32,829 1,833 5,834 1,837 1,838 1,847 3.3,850 2,854 16.083,855 11.267,856 6.833,857 3.796,858 4.243,859 1.511,860 1.029,861 5.602,862 12.54,863 3.902,864 4.593,865 5.262,866 5.95,867 6.569,868 6.996,869 7.48,870 7.914,871 8.265,872 8.576,873 0.857,874 57,875 12.217,877 5.637,878 7.654,879 23.28,881 20.17,883 2.154,884 68.917,887 1,888 317.82,889 144.28,890 39.575,892 44.313,894 6.046,895 138.234,896 362.133,897 39.575,898 17.65,899 10.529,900 118.819,901 60.976,902 16.927,903 3.266,904 317.82,906 317.82,907 177.808,908 44.313,909 6.046,911 306.049,912 56.084,915 47.966,916 113.179,917 22.709,919 317.82,920 83.888,921 144.28,923 6.046,924 317.82,925 25.821,926 117.314,927 18.011,928 60.976,929 317.82,930 83.888,931 144.28,933 0.59,934 0.347,935 0.2,936 0.116,937 28,938 12,939 0.078,940 5,941 2,942 1.16,943 4.117,944 321.857,945 0.16,946 25,947 150,950 1,951 21.296,952 8.418,953 3.901,954 3.173,955 82.111,956 19.123,957 4.668,961 1.484,962 1.847,963 18.011,964 545.987,965 48.5,968 -3.817,970 27.898,975 59.741,976 67.314,977 0.264,978 0.559,979 0.719,980 0.845,981 0.872,982 0.883,983 5.166,984 1.618,985 6.098,986 4.725,987 4.673,988 5.281,989 2.98,990 7.013,991 4.57,992 6.42,993 1.586,994 7.724,995 4.447,996 4.443,997 5.394,998 0.325,999 8.284,1000 4.209,1001 7.786,1002 1.416,1003 9.469,1004 3.943,1005 6.389,1006 7.689,1007 5.03,1008 11.434,1009 6.136,1010 9.202,1011 1.258,1012 11.291,1013 3.594,1014 7.013,1015 8.672,1016 0.268,1017 13.579,1018 6.597,1019 10.661,1020 1.083,1021 13.165,1022 2.797,1023 8.479,1024 10.492,1025 7.185,1026 16.342,1027 8.029,1028 12.151,1029 1,1030 15.075,1031 2.654,1032 9.472,1033 11.834,1034 0.188,1035 18.804,1036 8.861,1037 13.666,1038 0.833,1039 17.013,1040 2.178,1041 10.779,1042 13.493,1043 9.348,1044 21.474,1045 10.103,1046 3.619,1047 0.669,1048 18.971,1049 2.136,1050 11.927,1051 14.98,1052 0.125,1053 24.053,1054 11.103,1055 3.109,1056 14.31,1057 20.946,1058 1.673,1059 13.189,1060 16.588,1061 11.511,1062 26.705,1063 12.274,1064 2.811,1065 10.911,1066 22.935,1067 5.045,1068 14.404,1069 18.135,1070 0.082,1071 29.33,1072 13.35,1073 2.721,1074 9.378,1075 24.934,1076 4.509,1077 15.659,1078 19.729,1079 13.675,1080 31.982,1081 14.497,1082 2.247,1083 8.964,1084 26.942,1085 4.108,1086 16.903,1087 21.303,1088 0.054,1089 34.626,1090 15.608,1091 1.878,1092 6.77,1093 28.958,1094 3.338,1095 18.164,1096 22.897,1097 15.838,1098 37.281,1099 16.749,1100 1.85,1101 5.677,1102 30.979,1103 2.746,1104 19.423,1105 24.485,1106 0.035,1107 39.933,1108 17.879,1109 12041,1110 18270,1111 24.156,1112 40.716,1113 55.556,1114 57.053,1115 56.701,1116 55.48,1117 55.393,1118 74.205,1119 8.3,1120 168.312,1121 52.837,1122 6.069,1123 7.366,1124 7.599,1125 5.658,1126 5.619,1127 8.045,1128 5.9,1129 23.019,1130 5.214,1131 14.32,1132 1.543,1133 1.585,1134 1.575,1135 1.541,1136 1.539,1137 2.061,1138 0.231,1139 4.675,1140 1.468,1141 4.242,1142 4.246,1143 4.769,1144 4.224,1145 7.715,1146 4.167,1147 4.051,1148 4.077,1149 4.028,1150 3.981,1151 6.999,1152 3.986,1153 3.811,1154 3.877,1155 3.928,1156 3.714,1157 4.981,1158 3.649,1159 3.712,1160 3.737,1161 3.666,1162 3.577,1163 4.869,1164 3.563,1165 3.627,1166 3.646,1167 3.485,1168 3.501,1169 4.47,1170 3.484,1171 3.404,1172 3.442,1173 3.315,1174 3.323,1175 4.316,1176 3.301,1177 3.249,1178 3.316,1179 3.168,1180 3.043,1181 4.27,1182 3.054,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.149,1188 2.91,1189 0.141,1190 0.149,1191 0.217,1192 0.125,1193 0.101,1194 5.069,1195 0.14,1196 5.366,1197 0.082,1198 7.797,1199 0.398,1200 4.502,1201 0.089,1202 3.619,1203 5.045,1204 2.95,1205 14.31,1206 3.214,1207 2.11,1208 2.113,1209 2.145,1210 2.144,1211 1.357,1212 2.171,1213 1.962,1214 1.938,1215 2.059,1216 2.077,1217 1.295,1218 2.075,1219 1.742,1220 1.705,1221 1.975,1222 1.952,1223 1.247,1224 1.96,1225 1.704,1226 1.656,1227 1.879,1228 1.859,1229 1.109,1230 1.885,1231 1.589,1232 1.559,1233 1.66,1234 1.71,1235 0.825,1236 1.75,1237 1.407,1238 1.374,1239 1.513,1240 1.552,1241 0.825,1242 1.57,1243 1.16,1244 1.089,1245 1.46,1246 1.403,1247 0.629,1248 1.429,1249 1.153,1250 1.064,1251 1.417,1252 1.376,1253 0.552,1254 1.416,1255 4.29,1257 5.652,1258 2.398,1259 7.222,1260 4.844,1261 8.887,1262 7.066,1263 10.605,1265 4.225,1271 4.306,1272 3.367,1275 0.346,1276 2.296,1280 38.024,1281 93.711,1282 198.123,1283 254.955,1284 299.394,1285 308.904,1286 312.904,1287 60.284,1288 8.298,1289 67.23,1290 75.61,1291 29,1292 13.046,1293 4.585,1294 3.755,1295 45.26,1296 114,1297 129,1298 0.19,1299 233.566,1300 391.99,1301 561.661,1302 47058,1304 22.294,1305 0.697,1306 0.602,1307 22.544,1308 19.269,1309 15.448,1310 0.429,1311 0.351,1312 11.153,1313 14.259,1314 10.71,1315 8.903,1316 16.236,1317 12.624,1318 14.598,1319 0.275,1320 0.201,1321 15.879,1322 10.634,1323 12.251,1324 0.166,1325 0.105,1326 13.552,1327 7.76,1328 10.889,1329 0.105,1330 0.058,1331 12.249,1332 6.076,1333 9.245,1334 0.067,1335 0.033,1336 10.639,1337 4.574,1338 0.287,1339 103.63,1340 0.203,1341 29.106,1342 0.557,1343 178,1344 451.6,1345 230.468,1346 464.725,1347 650.89,1348 432,1349 216,1350 470.863,1351 279.895,1352 514.833,1353 764.8,1354 485,1355 5.301} {0 CHEMBL1277104,1 1.629,2 10.69,3 4.143,4 17.168,5 116.848,6 7.972,7 0.636,8 4.052,9 4.158,10 3.829,11 3.674,12 5.073,13 3.623,14 4.615,15 4.774,16 4.17,17 4.091,18 5.78,19 4.038,20 4.866,21 5.048,22 4.299,23 4.28,24 5.952,25 4.182,26 4.984,27 5.186,28 4.264,29 4.284,30 6.11,31 4.166,32 4.946,33 5.172,34 4.136,35 4.152,36 6.085,37 4.055,38 4.755,39 4.951,40 4.027,41 4.033,42 5.914,43 3.959,44 4.679,45 4.872,46 3.923,47 3.996,48 5.728,49 3.901,50 4.695,51 4.915,52 3.738,53 3.892,54 5.739,55 3.78,56 0.088,57 0.796,58 12.283,59 5.113,60 14.769,61 5.967,62 0.266,63 1.335,64 21.019,65 7.96,66 41.823,67 9.988,68 0.31,69 1.657,70 29.854,71 11.562,72 36.908,73 14.338,74 0.316,75 1.751,76 37.396,77 14.066,78 54.904,79 17.006,80 0.425,81 1.632,82 37.997,83 12.979,84 73.195,85 15.781,86 0.396,87 1.399,88 27.591,89 9.699,90 57.787,91 11.863,92 0.268,93 1.373,94 26.607,95 9.043,96 41.498,97 10.838,98 0.421,99 1.317,100 28.835,101 9.241,102 57.765,103 11.261,104 10,105 49,106 0.268,107 0.549,108 0.683,109 0.804,110 0.834,111 0.847,112 3.409,113 1.015,114 -4.08,115 -4.03,116 -3.82,119 43.1,124 1,125 4,140 10,141 3,142 2,145 1,150 1,166 1,169 11,171 1,172 3,176 2,178 13,181 3,182 10,186 2,189 11,193 11,195 2,199 7,202 1,203 13,206 1,208 2,211 7,214 2,215 9,220 3,222 8,226 3,231 3,233 9,236 1,237 3,240 1,242 1,244 7,248 2,249 3,256 4,259 1295,260 19.703,261 19.703,262 19.703,263 19.703,264 19.703,265 17.124,266 16.423,267 11.342,268 20.265,269 16.287,270 16.287,271 16.287,272 16.287,273 16.287,274 12.305,275 22.037,276 5.357,277 17.224,278 4.043,279 2.338,280 1.519,281 0.79,282 0.603,283 0.525,284 4.118,288 1,289 1,290 692,291 3.24,294 58.619,295 290.234,298 106.371,299 117.141,302 1.631,303 30.871,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 310,316 5.057,317 5.365,318 7.792,319 4.485,320 3.605,321 5.026,322 2.95,323 14.27,324 3.182,325 4.488,326 3.356,327 6.595,328 4.005,329 3.031,330 4.435,331 0.8,332 10.367,333 2.954,334 4.253,335 3.126,336 6.241,337 3.776,338 2.822,339 4.074,340 0.8,341 9.26,342 2.658,343 3.908,344 2.787,345 6.046,346 3.577,347 2.627,348 3.248,350 8.619,351 2.469,352 3.368,353 2.608,354 5.31,355 3.196,356 2.271,357 2.662,359 6.094,360 2.099,361 3.291,362 2.402,363 5.04,364 2.799,365 1.836,366 2.427,368 5.811,369 1.759,370 3.118,371 1.638,372 4.63,373 2.618,374 1.618,375 2.405,377 4.479,378 1.618,379 3.054,380 1.618,381 4.368,382 2.486,383 1.5,384 2.309,386 4.127,387 1.478,388 2.774,389 1.516,390 4.17,391 2.436,392 1.485,393 1.893,395 3.641,396 1.406,397 2.757,398 1.304,399 3.926,400 2.259,401 1.26,402 1.838,404 2.971,405 1.259,406 2.53,407 1.218,408 3.586,409 2.062,410 1.097,411 1.533,413 2.774,414 1.054,415 2.237,416 1.146,417 3.414,418 1.967,419 1,420 1.096,422 2.275,423 0.965,424 2.017,425 0.951,426 3.355,427 1.728,428 0.74,429 1,431 1.777,432 0.728,433 2,434 0.599,435 3.215,436 1.502,437 0.529,438 0.777,440 1.344,441 0.513,442 1.043,443 0.212,444 2.809,445 0.812,446 -0.148,447 -0.158,449 -0.335,450 -0.141,451 14.1,452 0.486,453 0.807,454 0.028,455 40.5,456 1.397,457 21.5,458 0.741,459 19,460 0.655,461 22.728,462 0.784,463 30.3,464 0.594,465 31.727,466 1.094,467 7.835,468 0.27,469 6.202,470 0.214,471 0.083,472 0.059,473 0.305,479 0.528,480 1.221,481 0.81,482 1.116,483 0.62,484 0.907,485 0.912,486 1.016,487 0.811,488 0.827,489 0.585,490 0.812,491 0.805,492 0.989,493 0.969,494 1.011,495 0.69,496 0.977,497 0.97,498 1.106,499 1.096,500 1.172,501 1.075,502 1.046,503 1.326,504 0.9,505 1.006,506 0.962,507 1.515,508 0.843,509 1.387,510 1.052,511 0.993,512 0.921,513 1.524,514 0.919,515 1.336,516 1.178,517 1.319,518 1.15,519 1.157,520 1.096,521 1.51,522 0.94,523 1.305,524 1.069,525 1.576,526 1.063,527 6,528 0.062,529 4.667,530 2.472,531 2.014,532 1.201,533 0.789,534 0.406,535 0.297,536 0.197,537 10602,538 25411,539 2.162,540 43.1,542 21,545 1,550 1.723,551 2.035,552 3.378,553 -0.336,555 1,559 83.079,560 1.629,561 3.334,562 4.153,563 4.883,564 5.069,565 5.148,566 2.872,567 4.444,568 4.829,569 3.499,570 1420.57,571 8.43,572 18292.5,574 1,576 1,577 289.294,578 1.503,579 4.79,580 0.182,581 0.003,582 0.095,583 0.048,584 0.041,585 0.027,586 0.019,587 0.011,588 0.01,589 0.008,590 0.444,591 0.5,592 0.88,593 0.506,594 144.669,595 0.149,596 -0.064,597 0.206,598 -0.03,599 -0.117,600 0.031,601 0.035,602 0.096,603 0.09,604 0.121,605 0.189,606 0.099,607 0.082,608 0.064,609 0.051,610 0.02,611 0.116,612 -0.013,613 0.08,614 -0.127,615 0.023,616 -0.09,617 0.095,618 -0.046,619 -0.032,620 0.044,621 0.093,622 0.071,623 -0.01,624 0.148,625 -0.069,626 -0.048,627 -0.034,628 0.023,629 -0.084,630 0.013,631 -0.25,632 -0.093,633 -0.26,634 -0.144,635 -0.166,636 -0.165,637 -0.22,638 0.072,639 -0.252,640 -0.086,641 -0.236,642 -0.118,643 4.691,644 6.551,645 0.862,646 24.93,647 1.002,648 1.119,649 2.855,650 8.15,651 0.695,652 3.526,653 3.912,654 4.248,655 4.554,656 4.82,657 4.927,658 5.088,659 5.236,660 5.366,661 5.468,662 6.137,663 0.656,664 406.55,665 3.526,666 5.106,667 5.994,668 6.909,669 7.816,670 8.736,671 9.651,672 10.575,673 11.494,674 12.421,675 7.8,678 1,681 1,683 1,685 1,687 4,688 10,689 1,690 1,693 3,695 21,709 1,714 51,716 23,717 3,718 33,720 55,721 22,722 17,723 6,724 10,730 5,731 7,745 17,746 5,750 2,753 1,755 2,761 1,764 22,765 5,766 1,767 7,768 1,773 4,777 0.6,778 2,784 1,792 1,793 4,796 1,797 1,815 1,819 3,821 1,823 1,827 29,829 1,833 4,838 2,847 3.9,850 2,854 14.25,855 9.433,856 6.139,857 3.035,858 4.301,859 1.524,860 1.059,861 4.488,862 12.5,863 3.839,864 4.541,865 5.21,866 5.879,867 6.473,868 6.872,869 7.338,870 7.778,871 8.122,872 8.434,873 1,874 52,875 11.052,877 5.164,878 7.71,879 20.891,881 18.182,883 2.21,884 64.083,886 1,887 1,888 247.193,889 132.92,890 39.575,892 44.313,894 6.046,895 126.874,896 291.506,897 39.575,898 8.396,899 8.423,900 100.808,901 60.976,902 34.938,903 3.266,904 247.193,906 247.193,907 166.449,908 44.313,909 6.046,911 247.193,912 44.313,915 28.21,916 121.576,917 22.709,919 247.193,920 83.888,921 132.92,923 6.046,924 247.193,925 23.715,926 109.407,927 16.663,928 60.976,929 247.193,930 83.888,931 132.92,933 0.597,934 0.36,935 0.198,936 0.11,937 27,938 11,939 0.055,940 3,941 2,942 1.16,943 3.966,944 279.289,945 0.16,946 25,947 132.881,950 1,951 18.469,952 7.047,953 3.167,954 2.962,955 67.225,956 18.765,957 4.209,958 2.893,961 1.398,963 16.663,964 464.001,965 45.5,968 -3.774,970 27.101,975 51.091,976 57.069,977 0.287,978 0.588,979 0.732,980 0.861,981 0.894,982 0.908,983 5.101,984 1.5,985 6.023,986 4.479,987 4.595,988 5.228,989 3.012,990 6.936,991 4.484,992 6.359,993 1.485,994 7.651,995 4.127,996 4.369,997 5.33,998 0.57,999 8.219,1000 4.108,1001 7.728,1002 1.26,1003 9.398,1004 3.641,1005 6.319,1006 7.642,1007 5.033,1008 11.354,1009 6.051,1010 9.145,1011 1.097,1012 11.22,1013 2.971,1014 6.948,1015 8.613,1016 0.479,1017 13.51,1018 6.503,1019 10.603,1020 1,1021 13.095,1022 2.774,1023 8.41,1024 10.438,1025 7.185,1026 16.269,1027 7.938,1028 12.092,1029 0.74,1030 15.006,1031 2.275,1032 9.403,1033 11.77,1034 0.346,1035 18.738,1036 8.76,1037 13.605,1038 0.529,1039 16.946,1040 1.777,1041 10.706,1042 13.43,1043 9.348,1044 21.41,1045 10,1046 3.605,1047 -0.148,1048 18.906,1049 1.344,1050 11.853,1051 14.911,1052 0.237,1053 23.994,1054 10.989,1055 3.031,1056 14.27,1057 20.884,1058 -0.335,1059 13.113,1060 16.516,1061 11.511,1062 26.649,1063 12.154,1064 2.822,1065 10.367,1066 22.875,1067 5.026,1068 14.325,1069 18.059,1070 0.158,1071 29.277,1072 13.219,1073 2.627,1074 9.26,1075 24.877,1076 4.435,1077 15.579,1078 19.651,1079 13.675,1080 31.93,1081 14.358,1082 2.271,1083 8.619,1084 26.888,1085 4.074,1086 16.822,1087 21.221,1088 0.104,1089 34.575,1090 15.458,1091 1.836,1092 6.094,1093 28.907,1094 3.248,1095 18.081,1096 22.812,1097 15.838,1098 37.23,1099 16.591,1100 1.618,1101 5.811,1102 30.932,1103 2.662,1104 19.339,1105 24.398,1106 0.068,1107 39.883,1108 17.709,1109 9803,1110 15413,1111 22.364,1112 35.432,1113 51.096,1114 52.228,1115 52.225,1116 50.98,1117 50.843,1118 69.445,1119 9.1,1120 155.619,1121 48.284,1122 6.057,1123 7.365,1124 7.481,1125 5.64,1126 5.605,1127 8.026,1128 5.9,1129 22.938,1130 5.182,1131 11.654,1132 1.548,1133 1.583,1134 1.583,1135 1.545,1136 1.541,1137 2.104,1138 0.276,1139 4.716,1140 1.463,1141 4.232,1142 4.233,1143 4.768,1144 4.219,1145 7.715,1146 4.16,1147 4.042,1148 4.07,1149 4.007,1150 3.972,1151 6.999,1152 3.976,1153 3.829,1154 3.894,1155 3.923,1156 3.716,1157 5.047,1158 3.661,1159 3.68,1160 3.659,1161 3.674,1162 3.563,1163 4.872,1164 3.543,1165 3.409,1166 3.458,1167 3.317,1168 3.325,1169 4.474,1170 3.305,1171 3.304,1172 3.366,1173 3.241,1174 3.074,1175 4.316,1176 3.09,1177 3.111,1178 3.206,1179 2.891,1180 2.941,1181 4.254,1182 2.91,1183 3.079,1184 3.178,1185 2.866,1186 2.882,1187 3.815,1188 2.871,1189 0.153,1190 0.163,1191 0.236,1192 0.136,1193 0.109,1194 5.057,1195 0.152,1196 5.365,1197 0.089,1198 7.792,1199 0.432,1200 4.485,1201 0.096,1202 3.605,1203 5.026,1204 2.95,1205 14.27,1206 3.182,1207 2.11,1208 2.113,1209 2.145,1210 2.144,1211 1.357,1212 2.171,1213 1.956,1214 1.932,1215 2.051,1216 2.072,1217 1.305,1218 2.071,1219 1.73,1220 1.691,1221 1.914,1222 1.919,1223 1.133,1224 1.927,1225 1.627,1226 1.618,1227 1.66,1228 1.76,1229 0.825,1230 1.786,1231 1.412,1232 1.378,1233 1.541,1234 1.567,1235 0.822,1236 1.577,1237 1.207,1238 1.115,1239 1.513,1240 1.484,1241 0.648,1242 1.507,1243 1.153,1244 1.064,1245 1.409,1246 1.376,1247 0.608,1248 1.429,1249 1.078,1250 1.011,1251 1.249,1252 1.331,1253 0.324,1254 1.343,1255 4.205,1257 5.572,1258 2.398,1259 7.149,1260 4.727,1261 8.819,1262 6.862,1263 10.536,1265 2.117,1271 3.825,1276 4.587,1280 33.444,1281 83.079,1282 170.046,1283 211.81,1284 249.029,1285 258.539,1286 262.539,1287 49.563,1288 8.2,1289 69.3,1290 77.68,1291 29,1292 12.927,1293 4.585,1294 3.755,1295 39.482,1296 105,1297 125,1298 0.183,1299 204.789,1300 340.09,1301 491.445,1302 44184,1304 20.01,1305 0.69,1306 0.586,1307 20.26,1308 16.985,1309 14.037,1310 0.425,1311 0.338,1312 9.692,1313 12.835,1314 9.33,1315 7.696,1316 14.826,1317 11.167,1318 13.268,1319 0.271,1320 0.191,1321 14.549,1322 9.363,1323 11.667,1324 0.169,1325 0.108,1326 12.981,1327 7.429,1328 10.007,1329 0.106,1330 0.059,1331 11.373,1332 5.544,1333 8.373,1334 0.068,1335 0.034,1336 9.676,1337 4.124,1338 0.282,1339 95.288,1340 0.211,1341 27.038,1342 0.523,1343 164,1344 437.6,1345 215.802,1346 450.573,1347 626.91,1348 418,1349 200,1350 447.782,1351 263.035,1352 493.291,1353 729.24,1354 463,1355 5.301} {0 CHEMBL1277105,1 1.654,2 10,3 3.33,4 11.089,5 110.243,6 8.177,7 0.656,8 4,9 4.105,10 3.8,11 3.635,12 5.035,13 3.586,14 4.553,15 4.698,16 4.136,17 4.05,18 5.756,19 3.997,20 4.819,21 5.009,22 4.264,23 4.22,24 5.896,25 4.122,26 4.875,27 5.056,28 4.237,29 4.206,30 6.093,31 4.11,32 4.836,33 5.035,34 4.114,35 4.109,36 6.015,37 4.019,38 4.753,39 4.957,40 3.991,41 4.002,42 5.907,43 3.923,44 4.632,45 4.834,46 3.873,47 3.923,48 5.686,49 3.83,50 4.577,51 4.787,52 3.674,53 3.778,54 5.675,55 3.681,56 0.101,57 0.754,58 11.226,59 4.753,60 15.27,61 5.371,62 0.242,63 1.254,64 18.517,65 7.534,66 42.287,67 9.169,68 0.348,69 1.583,70 29.783,71 11.185,72 35.866,73 13.518,74 0.355,75 1.579,76 31.762,77 12.17,78 62.12,79 14.068,80 0.343,81 1.496,82 32.508,83 11.832,84 60.532,85 13.959,86 0.429,87 1.389,88 27.719,89 9.774,90 61.04,91 11.81,92 0.301,93 1.308,94 25.874,95 8.624,96 44.337,97 10.086,98 0.425,99 1.189,100 25.687,101 8.061,102 59.53,103 9.326,104 5,105 47,106 0.275,107 0.558,108 0.677,109 0.806,110 0.839,111 0.853,112 3.376,113 1.012,114 -3.87,115 -3.82,116 -3.63,119 43.8,125 4,140 10,141 3,142 2,144 1,151 1,166 1,169 11,171 1,172 4,176 1,178 13,182 10,184 3,186 2,189 11,192 2,193 8,197 3,199 7,202 1,203 10,206 1,208 5,211 7,214 2,215 7,220 5,222 8,226 5,231 1,233 9,237 4,240 1,241 1,244 7,249 3,252 2,256 4,259 1164,260 19.256,261 19.256,262 19.256,263 19.256,264 19.256,265 16.677,266 16.231,267 11.256,268 19.775,269 15.82,270 15.82,271 15.82,272 15.82,273 15.82,274 11.839,275 21.822,276 5.32,277 16.693,278 3.931,279 2.233,280 1.515,281 0.74,282 0.542,283 0.458,284 4.087,288 1,289 1,290 629,291 3.162,294 55.013,295 275.318,298 100.259,299 111.04,302 1.5,303 31.3,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 60,315 280,316 5.057,317 5.365,318 7.792,319 4.485,320 3.605,321 5.026,322 2.95,323 14.27,324 3.182,325 4.488,326 3.356,327 6.595,328 4.003,329 3.029,330 4.435,331 0.8,332 10.366,333 2.954,334 4.252,335 3.1,336 6.239,337 3.766,338 2.81,339 4.074,340 0.4,341 9.253,342 2.65,343 3.896,344 2.763,345 6.042,346 3.553,347 2.603,348 3.245,350 8.604,351 2.448,352 3.301,353 2.429,354 5.309,355 2.834,356 1.876,357 2.661,359 5.823,360 1.791,361 3.118,362 2.012,363 4.632,364 2.75,365 1.791,366 2.427,368 4.634,369 1.714,370 3.056,371 1.618,372 4.487,373 2.618,374 1.618,375 2.31,377 4.415,378 1.618,379 3.019,380 1.516,381 4.189,382 2.486,383 1.497,384 2.099,386 3.656,387 1.478,388 2.761,389 1.472,390 3.934,391 2.261,392 1.271,393 1.89,395 3.094,396 1.26,397 2.638,398 1.298,399 3.587,400 2.198,401 1.248,402 1.686,404 2.788,405 1.18,406 2.288,407 1.213,408 3.51,409 1.994,410 1.044,411 1.256,413 2.619,414 0.988,415 2.23,416 1.146,417 3.35,418 1.967,419 1,420 1.089,422 2.136,423 0.965,424 2,425 0.94,426 3.247,427 1.725,428 0.737,429 1,431 1.771,432 0.725,433 1.982,434 0.593,435 3.207,436 1.484,437 0.513,438 0.748,440 1.31,441 0.496,442 1.043,443 0.187,444 2.804,445 0.543,446 -0.426,447 -0.528,449 -1.078,450 -0.404,451 13.6,452 0.486,453 0.701,454 0.025,455 39.75,456 1.42,457 21.5,458 0.768,459 18.25,460 0.652,461 20.99,462 0.75,463 29,464 0.604,465 30.463,466 1.088,467 7.666,468 0.274,469 5.977,470 0.213,471 0.049,472 0.061,473 0.287,479 0.549,480 1.123,481 0.807,482 1.063,483 0.626,484 0.857,485 0.841,486 1.093,487 0.825,488 0.908,489 0.6,490 0.888,491 0.803,492 0.928,493 0.995,494 0.984,495 0.713,496 0.902,497 1.182,498 1.074,499 1.107,500 1.131,501 1.308,502 1.034,503 1.214,504 1.027,505 1.065,506 1.111,507 1.404,508 0.97,509 1.328,510 1.036,511 0.983,512 0.917,513 1.454,514 0.927,515 1.333,516 1.121,517 1.293,518 1.093,519 1.138,520 1.03,521 1.633,522 0.934,523 1.373,524 1.076,525 1.694,526 1.059,527 5,528 0.037,529 4.222,530 2.41,531 1.823,532 1.09,533 0.709,534 0.366,535 0.228,536 0.121,537 9619,538 23829,539 2.191,540 41.7,542 18,545 2,550 1.715,551 2.087,552 3.303,553 0.247,554 1,555 1,559 79.401,560 1.654,561 3.352,562 4.07,563 4.845,564 5.043,565 5.127,566 2.72,567 4.28,568 4.78,569 3.418,570 1292.07,571 8.335,572 16169.2,574 1,576 1,577 268.078,578 1.397,579 4.749,580 0.156,581 0.002,582 0.09,583 0.048,584 0.038,585 0.025,586 0.018,587 0.01,588 0.008,589 0.006,590 0.401,591 0.5,592 0.88,593 0.444,594 137.55,595 0.121,596 0.023,597 0.197,598 0.01,599 -0.123,600 0.059,601 0.052,602 -0.004,603 0.052,604 0.038,605 0.177,606 0.014,607 0.089,608 0.115,609 0.09,610 0.077,611 0.093,612 0.074,613 0.006,614 -0.088,615 -0.015,616 -0.07,617 0.056,618 -0.063,619 -0.012,620 -0.078,621 0.021,622 -0.06,623 -0.001,624 0.021,625 -0.065,626 -0.055,627 -0.023,628 0.025,629 -0.088,630 0.018,631 -0.246,632 -0.05,633 -0.215,634 -0.086,635 -0.149,636 -0.094,637 -0.27,638 0.095,639 -0.296,640 -0.087,641 -0.266,642 -0.127,643 4.662,644 6.516,645 0.893,646 22.469,647 1.004,648 1.118,649 2.636,650 6.949,651 0.701,652 3.497,653 3.871,654 4.22,655 4.533,656 4.787,657 4.883,658 5.063,659 5.204,660 5.308,661 5.389,662 5.866,663 0.665,664 392.52,665 3.497,666 5.069,667 5.958,668 6.872,669 7.78,670 8.701,671 9.617,672 10.542,673 11.463,674 12.39,675 8.3,677 1,681 1,683 1,685 1,687 4,688 10,689 1,690 1,693 3,695 21,709 1,714 48,716 23,717 3,718 32,720 52,721 21,722 17,723 6,724 10,730 5,731 7,745 17,746 4,750 2,753 1,755 2,761 1,764 20,765 5,766 2,767 7,768 1,773 4,777 0.6,778 2,784 1,792 1,793 4,796 1,797 1,814 1,819 3,821 1,827 28,829 1,833 4,834 1,838 1,847 4.2,850 2,854 13.417,855 8.483,856 5.972,857 2.885,858 4.3,859 1.531,860 1.076,861 4.258,862 12.399,863 3.818,864 4.519,865 5.199,866 5.873,867 6.467,868 6.863,869 7.332,870 7.77,871 8.105,872 8.407,873 0.857,874 50,875 10.672,877 5.017,878 7.735,879 20.109,881 17.56,883 2.235,884 62.583,887 1,888 211.88,889 124.524,890 54.461,892 44.313,894 6.046,895 118.478,896 256.193,897 54.461,899 8.423,900 118.819,901 60.976,902 35.08,904 211.88,906 211.88,907 172.939,908 44.313,909 6.046,911 211.88,912 44.313,915 46.363,916 109.913,917 22.709,919 211.88,920 98.774,921 124.524,923 6.046,924 211.88,925 23.715,926 97.887,927 34.674,928 60.976,929 211.88,930 98.774,931 124.524,933 0.591,934 0.361,935 0.204,936 0.111,937 26,938 10,939 0.058,940 3,941 2,942 1.16,943 3.902,944 267.169,945 0.16,946 25,947 126.606,950 1,951 17.534,952 6.8,953 2.97,954 2.89,955 82.111,956 18.691,957 4.242,958 2.779,961 1.462,963 34.674,964 435.178,965 44.5,968 -3.745,970 27.031,975 48.207,976 53.654,977 0.296,978 0.6,979 0.729,980 0.868,981 0.903,982 0.918,983 5.07,984 1.497,985 5.979,986 4.415,987 4.554,988 5.207,989 2.98,990 6.895,991 4.446,992 6.326,993 1.271,994 7.605,995 3.656,996 4.29,997 5.301,998 0.325,999 8.189,1000 4.033,1001 7.695,1002 1.248,1003 9.355,1004 3.094,1005 6.275,1006 7.63,1007 5.03,1008 11.335,1009 6.011,1010 9.115,1011 1.044,1012 11.184,1013 2.788,1014 6.899,1015 8.604,1016 0.268,1017 13.502,1018 6.456,1019 10.578,1020 1,1021 13.066,1022 2.619,1023 8.376,1024 10.433,1025 7.185,1026 16.263,1027 7.908,1028 12.072,1029 0.737,1030 14.984,1031 2.136,1032 9.374,1033 11.768,1034 0.188,1035 18.736,1036 8.731,1037 13.589,1038 0.513,1039 16.929,1040 1.771,1041 10.685,1042 13.428,1043 9.348,1044 21.409,1045 9.979,1046 3.605,1047 -0.426,1048 18.894,1049 1.31,1050 11.836,1051 14.91,1052 0.125,1053 23.994,1054 10.971,1055 3.029,1056 14.27,1057 20.875,1058 -1.078,1059 13.099,1060 16.516,1061 11.511,1062 26.649,1063 12.139,1064 2.81,1065 10.366,1066 22.869,1067 5.026,1068 14.315,1069 18.059,1070 0.082,1071 29.277,1072 13.207,1073 2.603,1074 9.253,1075 24.873,1076 4.435,1077 15.571,1078 19.65,1079 13.675,1080 31.93,1081 14.348,1082 1.876,1083 8.604,1084 26.885,1085 4.074,1086 16.816,1087 21.221,1088 0.054,1089 34.575,1090 15.45,1091 1.791,1092 5.823,1093 28.905,1094 3.245,1095 18.076,1096 22.812,1097 15.838,1098 37.23,1099 16.584,1100 1.618,1101 4.634,1102 30.93,1103 2.661,1104 19.335,1105 24.397,1106 0.035,1107 39.883,1108 17.704,1109 8840,1110 14118,1111 21.959,1112 33.671,1113 49.235,1114 50.732,1115 49.99,1116 49.387,1117 49.281,1118 67.891,1119 8.3,1120 149.48,1121 46.896,1122 6.057,1123 7.365,1124 7.594,1125 5.64,1126 5.605,1127 8.026,1128 5.9,1129 22.938,1130 5.182,1131 8.771,1132 1.539,1133 1.585,1134 1.562,1135 1.543,1136 1.54,1137 2.122,1138 0.259,1139 4.671,1140 1.466,1141 4.235,1142 4.234,1143 4.771,1144 4.222,1145 7.715,1146 4.162,1147 4.037,1148 4.065,1149 4,1150 3.969,1151 6.999,1152 3.972,1153 3.812,1154 3.872,1155 3.918,1156 3.712,1157 5.053,1158 3.653,1159 3.661,1160 3.65,1161 3.637,1162 3.529,1163 4.872,1164 3.515,1165 3.409,1166 3.454,1167 3.316,1168 3.325,1169 4.481,1170 3.305,1171 3.246,1172 3.298,1173 3.203,1174 3.032,1175 4.316,1176 3.046,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 4.246,1182 2.91,1183 2.948,1184 3.019,1185 2.841,1186 2.828,1187 3.8,1188 2.819,1189 0.158,1190 0.168,1191 0.243,1192 0.14,1193 0.113,1194 5.057,1195 0.157,1196 5.365,1197 0.092,1198 7.792,1199 0.446,1200 4.485,1201 0.099,1202 3.605,1203 5.026,1204 2.95,1205 14.27,1206 3.182,1207 2.111,1208 2.115,1209 2.145,1210 2.146,1211 1.358,1212 2.174,1213 1.948,1214 1.927,1215 2.04,1216 2.058,1217 1.279,1218 2.058,1219 1.709,1220 1.689,1221 1.885,1222 1.885,1223 1.114,1224 1.901,1225 1.622,1226 1.589,1227 1.661,1228 1.786,1229 0.828,1230 1.796,1231 1.421,1232 1.382,1233 1.513,1234 1.572,1235 0.825,1236 1.587,1237 1.153,1238 1.064,1239 1.466,1240 1.376,1241 0.627,1242 1.429,1243 1.107,1244 1.05,1245 1.246,1246 1.359,1247 0.366,1248 1.356,1249 0.973,1250 0.917,1251 1.193,1252 1.198,1253 0.329,1254 1.203,1255 4.174,1257 5.533,1258 2.398,1259 7.109,1260 4.727,1261 8.78,1262 6.862,1263 10.499,1271 3.638,1272 3.335,1276 2.261,1280 31.917,1281 79.401,1282 160.885,1283 195.349,1284 232.568,1285 242.078,1286 246.078,1287 47.245,1288 8.099,1289 78.09,1290 86.47,1291 29,1292 12.895,1293 4.585,1294 3.755,1295 37.493,1296 97,1297 105,1298 0.189,1299 195.197,1300 322.79,1301 468.04,1302 39003,1304 19.14,1305 0.684,1306 0.573,1307 19.39,1308 16.038,1309 13.643,1310 0.426,1311 0.337,1312 9.332,1313 12.476,1314 9.044,1315 7.433,1316 14.432,1317 10.795,1318 12.646,1319 0.269,1320 0.188,1321 13.928,1322 8.827,1323 11.257,1324 0.168,1325 0.106,1326 12.571,1327 7.076,1328 9.856,1329 0.107,1330 0.059,1331 11.221,1332 5.411,1333 8.149,1334 0.068,1335 0.033,1336 9.452,1337 3.941,1338 0.288,1339 92.728,1340 0.213,1341 26.176,1342 0.544,1343 158,1344 426.287,1345 209.441,1346 439.337,1347 612.65,1348 408,1349 193,1350 438.148,1351 255.202,1352 481.226,1353 712.93,1354 454,1355 5.301} {0 CHEMBL1277565,1 1.629,2 9.966,3 3.813,4 14.542,5 116.45,6 7.972,7 0.636,8 4.052,9 4.158,10 3.829,11 3.674,12 5.068,13 3.623,14 4.615,15 4.773,16 4.173,17 4.087,18 5.788,19 4.034,20 4.868,21 5.06,22 4.308,23 4.27,24 5.961,25 4.178,26 4.928,27 5.108,28 4.308,29 4.291,30 6.078,31 4.184,32 4.93,33 5.123,34 4.203,35 4.21,36 6.122,37 4.113,38 4.882,39 5.089,40 4.063,41 4.092,42 6.047,43 4.013,44 4.71,45 4.905,46 3.98,47 4.038,48 5.74,49 3.952,50 4.75,51 4.948,52 3.827,53 4.008,54 5.801,55 3.895,56 0.088,57 0.796,58 12.283,59 5.113,60 14.29,61 5.967,62 0.257,63 1.337,64 20.978,65 7.962,66 42.85,67 9.999,68 0.352,69 1.664,70 30.626,71 11.349,72 40.417,73 14.112,74 0.289,75 1.689,76 33.843,77 13.165,78 43.539,79 15.567,80 0.334,81 1.646,82 38.068,83 13.486,84 66.643,85 15.651,86 0.526,87 1.531,88 32.394,89 11.031,90 82.587,91 13.326,92 0.299,93 1.427,94 27.377,95 9.103,96 39.188,97 10.928,98 0.393,99 1.412,100 28.63,101 9.786,102 54.473,103 11.871,104 10,105 49,106 0.268,107 0.549,108 0.683,109 0.804,110 0.834,111 0.847,112 3.409,113 1.017,114 -4.08,115 -4.03,116 -3.82,119 43.1,124 1,125 4,140 10,141 3,142 2,145 1,150 1,164 1,169 11,171 1,172 5,178 13,181 2,182 12,184 1,189 11,192 2,193 11,199 7,202 2,203 13,208 2,211 7,214 2,215 10,220 2,222 8,226 6,233 9,237 4,240 2,244 7,249 3,252 2,256 4,259 1294,260 19.756,261 19.756,262 19.756,263 19.756,264 19.756,265 17.132,266 19.394,267 11.474,268 20.293,269 16.304,270 16.304,271 16.304,272 16.304,273 16.304,274 12.237,275 25.243,276 5.426,277 17.219,278 4.043,279 2.338,280 1.519,281 0.79,282 0.603,283 0.525,284 4.118,288 1,289 1,290 646,291 3.24,294 57.261,295 286.594,298 104.523,299 115.249,302 1.486,303 31.843,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 289,316 5.067,317 5.366,318 7.797,319 4.5,320 3.617,321 5.044,322 2.95,323 14.305,324 3.208,325 4.552,326 3.394,327 6.709,328 4.06,329 3.092,330 4.504,331 0.8,332 10.772,333 2.992,334 4.271,335 3.101,336 6.298,337 3.766,338 2.811,339 4.106,340 0.4,341 9.337,342 2.65,343 3.955,344 2.865,345 6.105,346 3.636,347 2.691,348 3.324,350 8.887,351 2.517,352 3.349,353 2.505,354 5.474,355 2.915,356 1.959,357 2.716,359 6.241,360 1.868,361 3.203,362 2.104,363 4.984,364 2.833,365 1.873,366 2.447,368 5.335,369 1.789,370 3.118,371 1.79,372 4.555,373 2.618,374 1.618,375 2.427,377 4.451,378 1.618,379 3.049,380 1.618,381 4.38,382 2.587,383 1.613,384 2.216,386 4.002,387 1.569,388 2.799,389 1.506,390 4.09,391 2.392,392 1.424,393 1.894,395 3.597,396 1.374,397 2.759,398 1.321,399 3.668,400 2.257,401 1.258,402 1.865,404 2.796,405 1.257,406 2.329,407 1.252,408 3.569,409 2.021,410 1.083,411 1.277,413 2.653,414 1.012,415 2.231,416 1.146,417 3.503,418 1.967,419 1,420 1.139,422 2.136,423 0.965,424 2.154,425 1.14,426 3.296,427 1.795,428 0.829,429 1,431 2.132,432 0.795,433 2,434 0.691,435 3.247,436 1.649,437 0.665,438 0.998,440 1.663,441 0.654,442 1.043,443 0.236,444 2.864,445 0.581,446 -0.374,447 -0.444,449 -0.928,450 -0.355,451 14.1,452 0.486,453 0.79,454 0.027,455 40.5,456 1.397,457 21.5,458 0.741,459 19,460 0.655,461 22.823,462 0.787,463 30.3,464 0.594,465 32.292,466 1.114,467 7.796,468 0.269,469 6.258,470 0.216,471 0.083,472 0.059,473 0.305,479 0.528,480 1.221,481 0.81,482 1.116,483 0.63,484 0.907,485 0.9,486 1.063,487 0.806,488 0.849,489 0.591,490 0.827,491 0.862,492 0.892,493 0.929,494 0.903,495 0.713,496 0.865,497 1.036,498 1.113,499 1.117,500 1.178,501 1.167,502 1.065,503 1.286,504 1.094,505 1.257,506 1.262,507 1.503,508 1.02,509 1.659,510 0.99,511 1.009,512 0.86,513 1.942,514 0.893,515 1.375,516 1.091,517 1.285,518 1.058,519 1.098,520 1.012,521 1.45,522 1.05,523 1.365,524 1.19,525 1.488,526 1.216,527 5.5,528 0.037,529 4.444,530 2.882,531 2.068,532 1.257,533 0.887,534 0.524,535 0.303,536 0.153,537 10254,538 24763,539 2.162,540 43.1,542 21,545 1,550 1.725,551 2.035,552 3.289,553 -0.336,555 1,559 83.079,560 1.629,561 3.334,562 4.153,563 4.883,564 5.069,565 5.148,566 2.708,567 4.418,568 4.83,569 3.412,570 1385.21,571 8.445,572 17708.8,574 1,576 1,577 289.294,578 1.503,579 4.79,580 0.167,581 0.002,582 0.091,583 0.054,584 0.041,585 0.026,586 0.021,587 0.013,588 0.009,589 0.007,590 0.43,591 0.5,592 0.88,593 0.506,594 143.689,595 0.149,596 -0.064,597 0.206,598 -0.03,599 -0.128,600 0.031,601 0.047,602 0.047,603 0.096,604 0.098,605 0.189,606 0.084,607 0.066,608 0.171,609 0.106,610 0.12,611 0.111,612 0.095,613 0.049,614 -0.104,616 -0.087,617 0.048,618 -0.083,619 -0.019,620 -0.117,621 -0.056,622 -0.137,623 0.021,624 -0.024,625 -0.148,626 -0.025,627 -0.041,628 0.075,629 -0.184,630 0.04,631 -0.273,632 0.01,633 -0.235,634 -0.065,635 -0.147,636 -0.091,637 -0.24,638 -0.026,639 -0.368,640 -0.217,641 -0.234,642 -0.281,643 4.698,644 6.663,645 0.862,646 23.926,647 1.002,648 1.119,649 2.855,650 8.15,651 0.695,652 3.526,653 3.912,654 4.263,655 4.585,656 4.86,657 4.963,658 5.147,659 5.288,660 5.398,661 5.476,662 5.877,663 0.656,664 406.55,665 3.526,666 5.106,667 5.999,668 6.919,669 7.832,670 8.76,671 9.682,672 10.613,673 11.54,674 12.474,675 7.8,677 1,681 1,683 1,685 1,687 4,688 10,689 1,693 3,694 1,695 21,709 1,714 51,716 23,717 3,718 33,720 55,721 22,722 17,723 6,724 10,730 5,731 7,745 17,746 5,750 2,753 1,755 2,761 1,764 22,765 5,766 1,767 7,768 1,773 4,777 0.6,778 2,784 1,792 1,793 4,796 1,797 1,814 1,819 3,821 1,823 1,827 29,829 1,833 4,834 1,838 1,847 3.9,850 2,854 14.25,855 9.433,856 6.167,857 3.062,858 4.284,859 1.526,860 1.059,861 4.488,862 12.436,863 3.839,864 4.551,865 5.236,866 5.916,867 6.527,868 6.928,869 7.395,870 7.827,871 8.174,872 8.473,873 0.857,874 53,875 11.062,877 5.17,878 7.71,879 20.891,881 18.161,883 2.21,884 64.083,886 1,887 1,888 247.193,889 132.92,890 39.575,892 44.313,894 6.046,895 126.874,896 291.506,897 39.575,898 8.396,899 8.423,900 118.819,901 60.976,902 16.927,903 3.266,904 247.193,906 247.193,907 166.449,908 44.313,909 6.046,911 247.193,912 44.313,915 28.21,916 121.576,917 22.709,919 247.193,920 83.888,921 132.92,923 6.046,924 247.193,925 23.715,926 108.06,927 18.011,928 60.976,929 247.193,930 83.888,931 132.92,933 0.594,934 0.363,935 0.205,936 0.115,937 27,938 11,939 0.055,940 3,941 2,942 1.16,943 3.928,944 282.54,945 0.16,946 25,947 132.881,950 1,951 18.469,952 7.047,953 3.074,954 3.085,955 82.111,956 18.886,957 4.429,961 1.438,962 1.648,963 18.011,964 464.001,965 45.5,968 -3.782,970 27.326,975 51.091,976 57.069,977 0.287,978 0.588,979 0.732,980 0.861,981 0.894,982 0.908,983 5.101,984 1.613,985 6.028,986 4.451,987 4.595,988 5.239,989 2.98,990 6.954,991 4.486,992 6.365,993 1.424,994 7.662,995 4.002,996 4.369,997 5.366,998 0.325,999 8.247,1000 4.116,1001 7.739,1002 1.258,1003 9.417,1004 3.597,1005 6.326,1006 7.671,1007 5.03,1008 11.399,1009 6.062,1010 9.163,1011 1.083,1012 11.248,1013 2.796,1014 6.967,1015 8.661,1016 0.268,1017 13.556,1018 6.532,1019 10.629,1020 1,1021 13.129,1022 2.653,1023 8.435,1024 10.483,1025 7.185,1026 16.319,1027 7.971,1028 12.125,1029 0.829,1030 15.046,1031 2.136,1032 9.44,1033 11.827,1034 0.188,1035 18.786,1036 8.813,1037 13.644,1038 0.665,1039 16.988,1040 2.132,1041 10.748,1042 13.487,1043 9.348,1044 21.458,1045 10.058,1046 3.617,1047 -0.374,1048 18.95,1049 1.663,1050 11.903,1051 14.975,1052 0.125,1053 24.039,1054 11.064,1055 3.092,1056 14.305,1057 20.928,1058 -0.928,1059 13.166,1060 16.582,1061 11.511,1062 26.692,1063 12.236,1064 2.811,1065 10.772,1066 22.919,1067 5.044,1068 14.383,1069 18.13,1070 0.082,1071 29.319,1072 13.315,1073 2.691,1074 9.337,1075 24.92,1076 4.504,1077 15.64,1078 19.723,1079 13.675,1080 31.972,1081 14.462,1082 1.959,1083 8.887,1084 26.93,1085 4.106,1086 16.886,1087 21.298,1088 0.054,1089 34.616,1090 15.574,1091 1.873,1092 6.241,1093 28.947,1094 3.324,1095 18.147,1096 22.891,1097 15.838,1098 37.272,1099 16.715,1100 1.618,1101 5.335,1102 30.969,1103 2.716,1104 19.407,1105 24.479,1106 0.035,1107 39.925,1108 17.843,1109 9484,1110 14948,1111 22.364,1112 35.432,1113 51.07,1114 52.551,1115 52.194,1116 51.18,1117 51.068,1118 69.912,1119 8.3,1120 156.61,1121 48.535,1122 6.067,1123 7.366,1124 7.599,1125 5.655,1126 5.617,1127 8.044,1128 5.9,1129 23.012,1130 5.208,1131 11.195,1132 1.548,1133 1.592,1134 1.582,1135 1.551,1136 1.548,1137 2.119,1138 0.252,1139 4.746,1140 1.471,1141 4.238,1142 4.24,1143 4.768,1144 4.222,1145 7.715,1146 4.164,1147 4.048,1148 4.075,1149 4.021,1150 3.978,1151 6.999,1152 3.982,1153 3.81,1154 3.874,1155 3.925,1156 3.712,1157 4.991,1158 3.649,1159 3.677,1160 3.656,1161 3.652,1162 3.539,1163 4.87,1164 3.526,1165 3.41,1166 3.472,1167 3.316,1168 3.324,1169 4.475,1170 3.302,1171 3.365,1172 3.415,1173 3.271,1174 3.152,1175 4.316,1176 3.161,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 4.253,1182 2.91,1183 2.978,1184 3.05,1185 2.856,1186 2.879,1187 3.816,1188 2.866,1189 0.154,1190 0.163,1191 0.236,1192 0.136,1193 0.11,1194 5.067,1195 0.153,1196 5.366,1197 0.089,1198 7.797,1199 0.433,1200 4.5,1201 0.097,1202 3.617,1203 5.044,1204 2.95,1205 14.305,1206 3.208,1207 2.11,1208 2.113,1209 2.145,1210 2.144,1211 1.356,1212 2.171,1213 1.958,1214 1.935,1215 2.05,1216 2.072,1217 1.283,1218 2.07,1219 1.705,1220 1.685,1221 1.901,1222 1.912,1223 1.133,1224 1.915,1225 1.643,1226 1.608,1227 1.674,1228 1.799,1229 0.848,1230 1.819,1231 1.437,1232 1.389,1233 1.646,1234 1.603,1235 0.825,1236 1.625,1237 1.296,1238 1.238,1239 1.513,1240 1.47,1241 0.695,1242 1.51,1243 1.153,1244 1.064,1245 1.32,1246 1.376,1247 0.592,1248 1.429,1249 1,1250 0.955,1251 1.211,1252 1.192,1253 0.358,1254 1.199,1255 4.205,1257 5.572,1258 2.398,1259 7.154,1260 4.844,1261 8.829,1262 7.05,1263 10.554,1265 1.787,1271 3.646,1272 3.346,1276 2.275,1280 33.444,1281 83.079,1282 170.046,1283 211.81,1284 249.029,1285 258.539,1286 262.539,1287 49.615,1288 8.152,1289 67.23,1290 75.61,1291 29,1292 12.975,1293 4.585,1294 3.755,1295 39.363,1296 100,1297 111,1298 0.191,1299 204.789,1300 340.09,1301 491.445,1302 40792,1304 20.01,1305 0.69,1306 0.586,1307 20.26,1308 16.985,1309 14.054,1310 0.426,1311 0.339,1312 9.717,1313 12.851,1314 9.366,1315 7.722,1316 14.842,1317 11.192,1318 13.186,1319 0.269,1320 0.187,1321 14.467,1322 9.181,1323 11.672,1324 0.167,1325 0.105,1326 12.972,1327 7.322,1328 10.209,1329 0.105,1330 0.059,1331 11.585,1332 5.698,1333 8.661,1334 0.068,1335 0.033,1336 10.083,1337 4.256,1338 0.291,1339 95.351,1340 0.211,1341 26.861,1342 0.557,1343 164,1344 437.6,1345 216.135,1346 449.759,1347 629.15,1348 418,1349 201,1350 453.511,1351 264.229,1352 497.083,1353 737.25,1354 468,1355 5.559} {0 CHEMBL1277837,1 1.583,2 9.968,3 4.54,4 20.609,5 125.616,6 7.625,7 0.6,8 4.147,9 4.26,10 3.878,11 3.76,12 5.137,13 3.701,14 4.721,15 4.889,16 4.23,17 4.171,18 5.847,19 4.11,20 4.996,21 5.204,22 4.374,23 4.358,24 6.049,25 4.263,26 5.067,27 5.267,28 4.393,29 4.404,30 6.174,31 4.296,32 5.048,33 5.235,34 4.345,35 4.372,36 6.187,37 4.262,38 5.045,39 5.243,40 4.24,41 4.299,42 6.201,43 4.199,44 5,45 5.21,46 4.123,47 4.225,48 6.068,49 4.133,50 4.899,51 5.088,52 4.04,53 4.215,54 5.925,55 4.115,56 0.095,57 0.876,58 14.414,59 5.822,60 15.055,61 7.107,62 0.249,63 1.475,64 24.711,65 9.197,66 45.973,67 12.083,68 0.404,69 1.88,70 36.218,71 12.644,72 45.385,73 16.405,74 0.367,75 1.933,76 40.287,77 14.732,78 53.258,79 18.22,80 0.31,81 1.866,82 40.909,83 15.146,84 66.607,85 18.215,86 0.469,87 1.839,88 42.63,89 14.373,90 81.153,91 17.205,92 0.528,93 1.759,94 38.326,95 12.16,96 82.538,97 14.938,98 0.43,99 1.667,100 32.602,101 11.038,102 53.255,103 14.025,104 18,105 52,106 0.255,107 0.54,108 0.685,109 0.791,110 0.818,111 0.829,112 3.473,113 1.042,114 -4.51,115 -4.44,116 -4.18,119 42.1,120 2,125 4,127 1,140 10,141 3,142 2,145 1,150 1,164 1,169 11,171 1,172 7,178 14,181 2,182 14,184 1,189 11,192 2,193 11,199 11,202 2,203 13,208 2,211 11,214 2,215 14,220 2,222 8,226 8,233 13,237 4,240 2,244 13,249 3,252 2,256 10,259 1594,260 20.963,261 20.963,262 20.963,263 20.963,264 20.963,265 18.416,266 22.556,267 12.161,268 21.525,269 17.288,270 17.288,271 17.288,272 17.288,273 17.288,274 13.248,275 27.743,276 5.738,277 18.235,278 4.25,279 2.488,280 1.583,281 0.93,282 0.763,283 0.693,284 4.179,288 1,289 1,290 684,291 3.674,294 62.35,295 311.02,298 114.084,299 124.318,302 1.392,303 33.321,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 309,316 5.07,317 5.366,318 7.799,319 4.506,320 3.622,321 5.047,322 2.95,323 14.317,324 3.223,325 4.578,326 3.419,327 6.797,328 4.098,329 3.138,330 4.516,331 0.8,332 11.112,333 3.012,334 4.279,335 3.102,336 6.345,337 3.766,338 2.813,339 4.112,340 0.4,341 9.448,342 2.65,343 3.99,344 2.972,345 6.141,346 3.706,347 2.757,348 3.359,350 9.043,351 2.588,352 3.5,353 2.585,354 5.727,355 3.22,356 2.255,357 2.79,359 7.228,360 2.168,361 3.271,362 2.277,363 5.251,364 2.834,365 1.875,366 2.551,368 5.713,369 1.79,370 3.118,371 1.956,372 4.626,373 2.695,374 1.731,375 2.427,377 4.47,378 1.665,379 3.051,380 1.618,381 4.467,382 2.618,383 1.618,384 2.25,386 4.344,387 1.618,388 2.896,389 1.509,390 4.173,391 2.463,392 1.476,393 1.959,395 3.636,396 1.454,397 2.76,398 1.414,399 3.954,400 2.259,401 1.261,402 1.889,404 3.052,405 1.259,406 2.505,407 1.294,408 3.595,409 2.162,410 1.213,411 1.498,413 2.788,414 1.148,415 2.277,416 1.208,417 3.519,418 1.994,419 1.042,420 1.251,422 2.642,423 0.988,424 2.229,425 1.146,426 3.46,427 1.967,428 1,429 1.087,431 2.136,432 0.965,433 2,434 0.951,435 3.278,436 1.734,437 0.749,438 1,440 1.831,441 0.734,442 1.985,443 0.627,444 3.247,445 1.558,446 0.582,447 0.808,449 1.515,450 0.567,451 15.1,452 0.487,453 0.88,454 0.028,455 41.5,456 1.339,457 21.5,458 0.694,459 20,460 0.645,461 27.789,462 0.896,463 32.9,464 0.577,465 33.778,466 1.09,467 7.764,468 0.25,469 7.201,470 0.232,471 0.11,472 0.055,473 0.318,479 0.531,480 1.241,481 0.835,482 1.137,483 0.647,484 0.948,485 0.857,486 1.151,487 0.799,488 0.906,489 0.582,490 0.87,491 0.938,492 0.902,493 0.921,494 0.867,495 0.696,496 0.837,497 1.096,498 0.999,499 1.06,500 1.041,501 1.156,502 0.948,503 1.243,504 1.128,505 1.192,506 1.242,507 1.505,508 1.07,509 1.505,510 1.162,511 1.342,512 1.22,513 1.708,514 1.031,515 1.958,516 0.975,517 1.243,518 0.91,519 2.051,520 0.924,521 1.51,522 0.994,523 1.331,524 1.106,525 1.419,526 1.146,527 6,528 0.087,529 4.667,530 3.007,531 2.478,532 1.535,533 1.008,534 0.649,535 0.435,536 0.241,537 11792,538 27141,539 2.132,540 45.6,542 19,545 1,547 6,550 1.745,551 1.989,552 3.283,553 -0.361,559 90.224,560 1.583,561 3.345,562 4.25,563 4.903,564 5.07,565 5.14,566 2.701,567 4.567,568 4.925,569 3.418,570 1589.47,571 8.651,572 21377.8,574 1,577 332.475,578 1.56,579 4.879,580 0.171,581 0.004,582 0.09,583 0.053,584 0.043,585 0.028,586 0.02,587 0.014,588 0.01,589 0.007,590 0.441,591 0.17,592 0.88,593 0.701,594 156.588,595 0.159,596 -0.062,597 0.203,598 -0.024,599 -0.132,600 0.031,601 0.096,602 -0.036,603 0.125,604 0.063,605 0.203,606 0.072,607 0.055,608 0.184,609 0.121,610 0.143,611 0.12,612 0.12,613 0.031,614 0.036,615 0.052,616 0.029,617 0.051,618 0.032,619 -0.008,620 -0.125,621 -0.031,622 -0.125,623 -0.015,624 -0.075,625 -0.068,626 -0.145,627 -0.149,628 -0.126,629 -0.045,630 -0.063,631 -0.368,632 0.056,633 -0.189,634 0.059,635 -0.304,636 -0.003,637 -0.275,638 0.086,639 -0.358,640 -0.144,641 -0.216,642 -0.22,643 4.732,644 6.886,645 0.806,646 27.363,647 0.998,648 1.121,649 3.281,650 10.764,651 0.683,652 3.584,653 3.97,654 4.317,655 4.644,656 4.934,657 5.081,658 5.268,659 5.421,660 5.533,661 5.624,662 6.002,663 0.64,664 434.61,665 3.584,666 5.165,667 6.057,668 6.978,669 7.894,670 8.824,671 9.75,672 10.685,673 11.616,674 12.555,675 7,677 1,681 1,683 1,685 1,687 4,688 10,689 1,693 3,694 1,695 21,709 1,714 57,716 23,717 3,718 35,720 61,721 24,722 17,723 6,724 10,730 5,731 7,736 2,743 1,745 17,746 7,750 2,753 1,755 2,761 1,764 26,765 5,766 1,767 7,768 1,773 4,777 0.6,778 2,784 1,792 1,793 4,796 1,797 1,814 1,819 3,821 1,823 2,827 31,829 1,833 4,834 1,837 1,838 1,847 3.5,850 2,854 15.583,855 10.767,856 6.611,857 3.596,858 4.256,859 1.516,860 1.034,861 5.152,862 12.507,863 3.882,864 4.582,865 5.267,866 5.952,867 6.572,868 7.004,869 7.471,870 7.903,871 8.25,872 8.568,873 0.857,874 57,875 11.836,877 5.494,878 7.675,879 22.464,881 19.498,883 2.175,884 67.417,887 1,888 294.278,889 142.174,890 39.575,892 44.313,894 6.046,895 136.128,896 338.591,897 39.575,898 17.65,899 8.423,900 118.819,901 60.976,902 16.927,903 3.266,904 294.278,906 294.278,907 175.703,908 44.313,909 6.046,911 223.651,912 114.94,915 45.861,916 113.179,917 22.709,919 294.278,920 83.888,921 142.174,923 6.046,924 294.278,925 23.715,926 117.314,927 18.011,928 60.976,929 294.278,930 83.888,931 142.174,933 0.594,934 0.36,935 0.203,936 0.116,937 28,938 12,939 0.066,940 4,941 2,942 1.16,943 4.026,944 310.688,945 0.16,946 25,947 143.58,950 1,951 20.35,952 7.849,953 3.48,954 3.138,955 82.111,956 19.047,957 4.628,961 1.463,962 1.814,963 18.011,964 520.339,965 47.5,968 -3.815,970 27.772,975 56.858,976 63.899,977 0.271,978 0.574,979 0.729,980 0.841,981 0.869,982 0.881,983 5.149,984 1.618,985 6.089,986 4.47,987 4.654,988 5.27,989 2.98,990 7.017,991 4.547,992 6.408,993 1.476,994 7.725,995 4.344,996 4.443,997 5.394,998 0.325,999 8.308,1000 4.2,1001 7.78,1002 1.261,1003 9.481,1004 3.636,1005 6.385,1006 7.69,1007 5.03,1008 11.459,1009 6.125,1010 9.201,1011 1.213,1012 11.311,1013 3.052,1014 7.031,1015 8.679,1016 0.268,1017 13.608,1018 6.609,1019 10.665,1020 1.042,1021 13.191,1022 2.788,1023 8.492,1024 10.498,1025 7.185,1026 16.369,1027 8.036,1028 12.159,1029 1,1030 15.105,1031 2.642,1032 9.497,1033 11.842,1034 0.188,1035 18.829,1036 8.885,1037 13.676,1038 0.749,1039 17.044,1040 2.136,1041 10.801,1042 13.5,1043 9.348,1044 21.497,1045 10.125,1046 3.622,1047 0.582,1048 19.003,1049 1.831,1050 11.954,1051 14.988,1052 0.125,1053 24.073,1054 11.135,1055 3.138,1056 14.317,1057 20.978,1058 1.515,1059 13.215,1060 16.595,1061 11.511,1062 26.724,1063 12.306,1064 2.813,1065 11.112,1066 22.965,1067 5.047,1068 14.431,1069 18.143,1070 0.082,1071 29.347,1072 13.389,1073 2.757,1074 9.448,1075 24.963,1076 4.516,1077 15.686,1078 19.737,1079 13.675,1080 31.998,1081 14.537,1082 2.255,1083 9.043,1084 26.969,1085 4.112,1086 16.93,1087 21.311,1088 0.054,1089 34.641,1090 15.653,1091 1.875,1092 7.228,1093 28.983,1094 3.359,1095 18.191,1096 22.905,1097 15.838,1098 37.294,1099 16.797,1100 1.731,1101 5.713,1102 31.003,1103 2.79,1104 19.45,1105 24.493,1106 0.035,1107 39.946,1108 17.929,1109 11022,1110 16948,1111 23.463,1112 38.955,1113 54.307,1114 55.77,1115 55.617,1116 54.366,1117 54.261,1118 73.087,1119 8.3,1120 166.547,1121 51.662,1122 6.07,1123 7.366,1124 7.6,1125 5.662,1126 5.622,1127 8.047,1128 5.9,1129 23.028,1130 5.223,1131 13.8,1132 1.552,1133 1.593,1134 1.589,1135 1.553,1136 1.55,1137 2.088,1138 0.237,1139 4.758,1140 1.476,1141 4.243,1142 4.246,1143 4.769,1144 4.224,1145 7.715,1146 4.167,1147 4.052,1148 4.078,1149 4.03,1150 3.982,1151 6.999,1152 3.987,1153 3.811,1154 3.877,1155 3.928,1156 3.714,1157 4.984,1158 3.649,1159 3.696,1160 3.683,1161 3.666,1162 3.557,1163 4.869,1164 3.544,1165 3.563,1166 3.622,1167 3.415,1168 3.418,1169 4.474,1170 3.406,1171 3.402,1172 3.438,1173 3.315,1174 3.323,1175 4.316,1176 3.301,1177 3.142,1178 3.209,1179 3.051,1180 2.967,1181 4.268,1182 2.97,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.047,1188 2.91,1189 0.145,1190 0.153,1191 0.223,1192 0.129,1193 0.103,1194 5.07,1195 0.144,1196 5.366,1197 0.084,1198 7.799,1199 0.409,1200 4.506,1201 0.092,1202 3.622,1203 5.047,1204 2.95,1205 14.317,1206 3.223,1207 2.11,1208 2.113,1209 2.145,1210 2.144,1211 1.356,1212 2.171,1213 1.963,1214 1.938,1215 2.056,1216 2.077,1217 1.287,1218 2.075,1219 1.714,1220 1.696,1221 1.938,1222 1.944,1223 1.181,1224 1.944,1225 1.698,1226 1.638,1227 1.851,1228 1.845,1229 1.059,1230 1.87,1231 1.546,1232 1.504,1233 1.659,1234 1.666,1235 0.825,1236 1.711,1237 1.39,1238 1.364,1239 1.513,1240 1.519,1241 0.809,1242 1.549,1243 1.153,1244 1.064,1245 1.417,1246 1.376,1247 0.609,1248 1.429,1249 1.036,1250 0.982,1251 1.349,1252 1.285,1253 0.469,1254 1.308,1255 4.263,1257 5.631,1258 2.398,1259 7.212,1260 4.844,1261 8.886,1262 7.081,1263 10.611,1265 4.038,1271 3.638,1272 3.361,1275 0.045,1276 2.289,1280 36.497,1281 90.224,1282 190.678,1283 242.236,1284 279.455,1285 288.965,1286 292.965,1287 57.049,1288 8.251,1289 67.23,1290 75.61,1291 29,1292 13.053,1293 4.585,1294 3.755,1295 43.239,1296 108,1297 123,1298 0.193,1299 223.974,1300 374.69,1301 538.256,1302 44730,1304 21.587,1305 0.696,1306 0.599,1307 21.837,1308 18.562,1309 14.964,1310 0.428,1311 0.347,1312 10.689,1313 13.77,1314 10.268,1315 8.504,1316 15.753,1317 12.157,1318 14.116,1319 0.271,1320 0.194,1321 15.398,1322 10.096,1323 12.247,1324 0.166,1325 0.104,1326 13.548,1327 7.667,1328 10.693,1329 0.104,1330 0.058,1331 12.045,1332 5.937,1333 9.099,1334 0.066,1335 0.033,1336 10.514,1337 4.521,1338 0.291,1339 100.694,1340 0.206,1341 28.298,1342 0.567,1343 174,1344 447.6,1345 226.801,1346 460.322,1347 646.41,1348 428,1349 213,1350 470.215,1351 276.895,1352 512.941,1353 763.03,1354 484,1355 5.301} {0 CHEMBL1277917,1 1.681,2 9.88,3 3.235,4 10.465,5 100.398,6 7.922,7 0.571,8 3.924,9 4.035,10 3.71,11 3.516,12 4.938,13 3.463,14 4.491,15 4.659,16 4.032,17 3.917,18 5.673,19 3.864,20 4.729,21 4.92,22 4.12,23 4.085,24 5.842,25 3.983,26 4.839,27 5.058,28 4.015,29 4.051,30 5.972,31 3.934,32 4.745,33 4.991,34 3.854,35 3.896,36 5.826,37 3.798,38 4.52,39 4.723,40 3.784,41 3.814,42 5.609,43 3.725,44 4.496,45 4.701,46 3.673,47 3.774,48 5.498,49 3.653,50 4.503,51 4.738,52 3.458,53 3.611,54 5.548,55 3.484,56 0.092,57 0.725,58 11.462,59 4.56,60 14.46,61 5.346,62 0.282,63 1.187,64 19.488,65 6.879,66 42.035,67 8.811,68 0.331,69 1.434,70 27.767,71 9.973,72 39.684,73 12.453,74 0.385,75 1.455,76 33.484,77 11.606,78 60.777,79 14.398,80 0.442,81 1.286,82 30.68,83 9.827,84 64.035,85 12.691,86 0.322,87 1.12,88 21.274,89 7.519,90 36.985,91 9.734,92 0.23,93 1.117,94 23.441,95 7.769,96 32.779,97 9.561,98 0.425,99 1.018,100 25.707,101 7.535,102 56.554,103 9.294,104 10,105 41,106 0.287,107 0.573,108 0.689,109 0.795,110 0.806,111 0.806,112 3.268,113 1.045,114 -3.33,115 -3.31,116 -3.17,119 40,124 1,125 4,140 8,141 1,142 2,145 1,150 1,166 1,169 6,171 1,172 3,176 2,178 6,181 3,182 10,186 2,189 4,193 9,195 2,199 2,202 1,203 8,206 1,208 2,211 4,214 2,215 5,220 2,222 5,226 2,231 1,233 5,236 1,237 2,240 1,244 3,248 2,249 1,256 1,259 877,260 16.841,261 16.841,262 16.841,263 16.841,264 16.841,265 14.798,266 16.423,267 9.767,268 17.414,269 13.811,270 13.811,271 13.811,272 13.811,273 13.811,274 10.666,275 22.037,276 4.627,277 14.765,278 3.811,279 2.135,280 1.456,281 0.834,282 0.772,283 0.772,284 3.963,287 1,288 1,289 1,290 541,291 3.082,294 53.436,295 214.03,298 95.871,302 1.414,303 28.049,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 54,315 247,316 5.022,317 5.358,318 7.735,319 4.44,320 3.568,321 4.968,322 2.95,323 13.982,324 3.127,325 4.408,326 3.292,327 6.453,328 3.926,329 2.974,330 4.281,331 0.8,332 9.902,333 2.789,334 3.923,335 3.099,336 6.088,337 3.639,338 2.7,339 3.274,340 0.8,341 8.796,342 2.527,343 3.581,344 2.668,345 5.394,346 3.206,347 2.28,348 3.069,350 6.151,351 2.112,352 3.358,353 2.496,354 5.04,355 3.046,356 2.076,357 2.419,359 6.025,360 2.002,361 3.114,362 1.789,363 4.548,364 2.575,365 1.602,366 2.388,368 4.439,369 1.553,370 2.783,371 1.634,372 4.34,373 2.44,374 1.491,375 1.875,377 4.102,378 1.409,379 2.679,380 1.39,381 4.007,382 2.188,383 1.21,384 1.727,386 3.061,387 1.177,388 2.517,389 1.146,390 3.545,391 2.009,392 1.032,393 1.505,395 2.572,396 1.006,397 2.5,398 1.049,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.019,407 1,408 3.247,409 1.967,410 1,411 1,413 2.136,414 0.965,415 2,416 0.706,417 3.242,418 1.509,419 0.539,420 0.785,422 1.37,423 0.52,424 1,425 0.212,426 2.768,427 0.811,428 -0.148,429 -0.159,431 -0.336,432 -0.142,433 1,434 -0.004,435 2.627,436 0.292,437 -0.664,438 -0.843,440 -1.617,441 -0.622,442 0.736,443 -0.231,444 2.462,445 0.228,446 -0.732,447 -1,449 -1.742,450 -0.686,451 12.1,452 0.484,453 0.704,454 0.028,455 34,456 1.36,457 17.5,458 0.7,459 16.5,460 0.66,461 18.74,462 0.75,463 26.9,464 0.598,465 25.26,466 1.01,467 6.613,468 0.265,469 5.441,470 0.218,471 0.096,472 0.069,473 0.273,479 0.535,480 1.321,481 0.827,482 1.189,483 0.621,484 0.955,485 0.925,486 1.074,487 0.818,488 0.848,489 0.586,490 0.83,491 0.827,492 1.056,493 1.033,494 1.09,495 0.681,496 1.027,497 1.026,498 1.1,499 1.061,500 1.131,501 1.127,502 1.035,503 1.211,504 0.805,505 0.847,506 0.798,507 1.351,508 0.779,509 1.013,510 1.064,511 0.925,512 0.929,513 1.019,514 0.987,515 1.122,516 1.225,517 1.356,518 1.268,519 0.94,520 1.194,521 1.535,522 0.889,523 1.335,524 1.079,525 1.667,526 1.051,527 5.5,528 0.049,529 4,530 1.972,531 1.449,532 0.983,533 0.626,534 0.349,535 0.223,536 0.116,537 6927,538 17464,539 2.12,540 44.4,542 19,545 1,550 1.683,551 1.987,552 3.281,553 -0.277,554 1,555 1,559 75.636,560 1.681,561 3.357,562 4.036,563 4.658,564 4.72,565 4.72,566 2.725,567 4.164,568 4.614,569 3.375,570 1012.57,571 7.994,572 11799.9,574 1,576 1,577 247.133,578 1.535,579 4.57,580 0.196,581 0.004,582 0.098,583 0.047,584 0.038,585 0.029,586 0.02,587 0.013,588 0.011,589 0.007,590 0.463,591 0.5,592 1,593 0.553,594 118.773,595 0.145,596 -0.107,597 0.219,598 -0.049,599 -0.117,600 0.018,601 0.025,602 0.058,603 0.097,604 0.114,605 0.194,606 0.094,607 0.071,608 0.012,609 0.007,610 -0.041,611 0.139,612 -0.053,613 0.046,614 -0.144,615 -0.005,616 -0.096,617 0.069,618 -0.043,619 -0.046,620 0.108,621 0.125,622 0.146,623 -0.055,624 0.199,625 -0.009,626 -0.044,627 -0.04,628 -0.004,629 -0.044,630 -0.042,631 -0.195,632 -0.155,633 -0.271,634 -0.218,635 -0.122,636 -0.231,637 -0.218,638 0.082,639 -0.237,640 -0.08,641 -0.243,642 -0.101,643 4.564,644 5.937,645 0.84,646 19.85,647 1.005,648 1.126,649 2.1,650 4.409,651 0.682,652 3.367,653 3.738,654 4.043,655 4.304,656 4.543,657 4.644,658 4.779,659 4.89,660 4.99,661 5.1,662 5.648,663 0.643,664 356.49,665 3.367,666 4.934,667 5.808,668 6.711,669 7.605,670 8.515,671 9.419,672 10.333,673 11.242,674 12.159,675 8.9,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,714 45,716 18,717 2,718 28,720 48,721 18,722 13,723 4,724 8,730 4,731 5,745 13,746 5,750 2,753 1,755 2,760 1,761 1,764 20,765 5,766 1,767 7,768 1,773 4,777 0.75,778 2,784 1,792 1,793 3,796 1,815 1,819 3,821 1,823 1,827 25,829 1,833 4,838 2,847 4.4,850 2,854 12.583,855 8.267,856 5.333,857 2.632,858 3.025,859 1.405,860 1.033,861 4.178,862 10.493,863 3.664,864 4.327,865 4.944,866 5.554,867 6.098,868 6.478,869 6.907,870 7.285,871 7.533,872 7.885,873 0.857,874 42,875 9.521,877 4.405,878 7.77,879 17.927,881 15.387,883 2.27,884 56.75,887 1,888 223.651,889 108.822,890 39.575,892 44.313,894 6.046,895 102.776,896 267.964,897 39.575,898 8.396,899 8.423,900 81.856,901 60.976,902 29.792,903 3.266,904 223.651,906 223.651,907 142.35,908 44.313,909 6.046,911 223.651,912 44.313,915 28.21,916 97.477,917 22.709,919 223.651,920 83.888,921 108.822,923 6.046,924 223.651,925 18.569,926 90.455,927 16.663,928 60.976,929 223.651,930 83.888,931 108.822,933 0.595,934 0.353,935 0.185,936 0.102,937 22,938 9,939 0.063,940 3,941 1,942 1.095,943 3.647,944 218.685,945 0.095,946 21,947 106.096,950 1,951 16.431,952 6.356,953 3.005,954 1.368,955 67.225,956 14.285,957 4.102,958 2.845,961 1.379,963 16.663,964 416.36,965 38,968 -3.648,970 25.873,975 45.207,976 50.654,977 0.306,978 0.611,979 0.735,980 0.848,981 0.859,982 0.859,983 4.92,984 1.21,985 5.838,986 4.102,987 4.419,988 5.014,989 3.012,990 6.737,991 4.284,992 6.168,993 1.032,994 7.461,995 3.061,996 4.205,997 5.112,998 0.57,999 8.044,1000 3.888,1001 7.531,1002 1,1003 9.207,1004 2.572,1005 6.138,1006 7.393,1007 5.033,1008 11.154,1009 5.81,1010 8.945,1011 1,1012 11.033,1013 2.275,1014 6.781,1015 8.376,1016 0.479,1017 13.334,1018 6.241,1019 10.403,1020 0.539,1021 12.912,1022 2.136,1023 8.236,1024 10.183,1025 7.185,1026 16.077,1027 7.662,1028 11.893,1029 -0.148,1030 14.83,1031 1.37,1032 9.238,1033 11.525,1034 0.346,1035 18.553,1036 8.462,1037 13.408,1038 -0.664,1039 16.775,1040 -0.336,1041 10.539,1042 13.178,1043 9.348,1044 21.21,1045 9.69,1046 3.568,1047 -0.732,1048 18.742,1049 -1.617,1050 11.689,1051 14.666,1052 0.237,1053 23.787,1054 10.659,1055 2.974,1056 13.982,1057 20.725,1058 -1.742,1059 12.947,1060 16.269,1061 11.511,1062 26.426,1063 11.812,1064 2.7,1065 9.902,1066 22.72,1067 4.968,1068 14.159,1069 17.815,1070 0.158,1071 29.04,1072 12.861,1073 2.28,1074 8.796,1075 24.725,1076 4.281,1077 15.411,1078 19.406,1079 13.675,1080 31.675,1081 13.988,1082 2.076,1083 6.151,1084 26.739,1085 3.274,1086 16.65,1087 20.977,1088 0.104,1089 34.303,1090 15.074,1091 1.602,1092 6.025,1093 28.758,1094 3.069,1095 17.905,1096 22.566,1097 15.838,1098 36.939,1099 16.195,1100 1.491,1101 4.439,1102 30.782,1103 2.419,1104 19.157,1105 24.149,1106 0.068,1107 39.573,1108 17.301,1109 6570,1110 10645,1111 18.781,1112 30.671,1113 43.236,1114 44.139,1115 43.821,1116 43.092,1117 42.941,1118 57.583,1119 9.1,1120 129.621,1121 40.375,1122 6.022,1123 7.358,1124 7.537,1125 5.583,1126 5.568,1127 7.968,1128 5.9,1129 22.383,1130 5.127,1131 10.62,1132 1.544,1133 1.576,1134 1.565,1135 1.539,1136 1.534,1137 2.057,1138 0.325,1139 4.629,1140 1.442,1141 4.204,1142 4.21,1143 4.762,1144 4.178,1145 7.715,1146 4.114,1147 3.944,1148 3.959,1149 3.991,1150 3.882,1151 6.999,1152 3.862,1153 3.803,1154 3.877,1155 3.704,1156 3.619,1157 5.045,1158 3.62,1159 3.57,1160 3.557,1161 3.641,1162 3.5,1163 4.713,1164 3.439,1165 3.306,1166 3.374,1167 3.242,1168 3.068,1169 4.474,1170 3.083,1171 3.111,1172 3.206,1173 2.886,1174 2.941,1175 4.254,1176 2.91,1177 3.076,1178 3.175,1179 2.866,1180 2.852,1181 3.809,1182 2.839,1183 2.871,1184 2.929,1185 2.739,1186 2.747,1187 3.674,1188 2.733,1189 0.179,1190 0.191,1191 0.276,1192 0.159,1193 0.127,1194 5.022,1195 0.177,1196 5.358,1197 0.105,1198 7.735,1199 0.499,1200 4.44,1201 0.112,1202 3.568,1203 4.968,1204 2.95,1205 13.982,1206 3.127,1207 2.01,1208 2.022,1209 2.054,1210 2.084,1211 1.319,1212 2.099,1213 1.908,1214 1.883,1215 1.995,1216 2.009,1217 1.22,1218 2.036,1219 1.72,1220 1.652,1221 1.913,1222 1.913,1223 1.077,1224 1.917,1225 1.516,1226 1.525,1227 1.541,1228 1.692,1229 0.825,1230 1.698,1231 1.206,1232 1.114,1233 1.513,1234 1.49,1235 0.683,1236 1.509,1237 1.153,1238 1.064,1239 1.406,1240 1.376,1241 0.634,1242 1.429,1243 1.047,1244 0.975,1245 1.181,1246 1.323,1247 0.319,1248 1.335,1249 0.886,1250 0.831,1251 1.175,1252 1.062,1253 0.218,1254 1.107,1255 4.043,1257 5.398,1258 2.398,1259 6.959,1260 4.727,1261 8.608,1262 6.862,1263 10.303,1265 2.112,1271 3.86,1276 4.573,1280 28.917,1281 75.636,1282 151.08,1283 181.624,1284 209.624,1285 212.379,1286 212.379,1287 42.884,1288 7.468,1289 69.3,1290 77.68,1291 23,1292 12.671,1293 4.248,1294 3.459,1295 35.822,1296 83,1297 95,1298 0.212,1299 179.668,1300 299.43,1301 430.15,1302 16895,1304 17.441,1305 0.698,1306 0.593,1307 17.691,1308 14.83,1309 12.054,1310 0.43,1311 0.348,1312 8.281,1313 10.837,1314 7.953,1315 6.572,1316 12.842,1317 9.756,1318 11.357,1319 0.277,1320 0.201,1321 12.657,1322 8.23,1323 9.794,1324 0.175,1325 0.114,1326 11.122,1327 6.401,1328 8.02,1329 0.11,1330 0.062,1331 9.251,1332 4.518,1333 6.503,1334 0.07,1335 0.035,1336 7.607,1337 3.278,1338 0.325,1339 83.389,1340 0.231,1341 23.909,1342 0.607,1343 138,1344 387.6,1345 189.802,1346 398.282,1347 547.47,1348 368,1349 166,1350 382.782,1351 227.365,1352 425.405,1353 625.23,1354 398,1355 5.301} {0 CHEMBL1278,1 1.578,2 9.913,3 2.248,4 5.056,5 94.504,6 6.99,7 0.4,8 3.951,9 4.077,10 3.638,11 3.501,12 4.85,13 3.427,14 4.559,15 4.754,16 3.878,17 3.927,18 5.657,19 3.83,20 4.828,21 5.049,22 3.825,23 4.099,24 5.738,25 3.953,26 4.929,27 5.187,28 3.715,29 4.082,30 5.791,31 3.903,32 4.821,33 5.106,34 3.692,35 3.968,36 5.603,37 3.784,38 4.683,39 4.936,40 3.643,41 3.852,42 5.605,43 3.702,44 4.578,45 4.825,46 3.57,47 3.764,48 5.457,49 3.595,50 4.565,51 4.844,52 3.446,53 3.635,54 5.464,55 3.439,56 0.097,57 0.738,58 14.682,59 4.861,60 13.632,61 6.562,62 0.382,63 1.191,64 25.044,65 8.433,66 53.707,67 11.494,68 0.274,69 1.426,70 33.048,71 11.695,72 43.564,73 15.607,74 0.348,75 1.452,76 33.688,77 12.025,78 56.246,79 16.83,80 0.198,81 1.323,82 31.929,83 11.21,84 35.032,85 15.711,86 0.275,87 1.183,88 27.309,89 9.075,90 38.36,91 12.694,92 0.177,93 1.075,94 24.588,95 8.393,96 26.655,97 11.845,98 0.297,99 0.994,100 26.578,101 8.481,102 37.49,103 11.528,104 21,105 36,106 0.271,107 0.581,108 0.792,109 0.831,110 0.831,111 0.831,112 3.188,113 1.18,114 -2.48,115 -2.51,116 -2.45,119 35.4,121 3,122 1,124 2,125 3,140 3,141 3,149 1,150 1,169 9,171 1,172 2,174 2,176 3,178 11,182 3,186 4,189 9,193 3,197 4,199 6,203 5,208 3,211 6,215 5,218 1,220 2,222 4,226 4,231 1,237 4,240 2,241 1,242 1,249 4,254 2,259 738,260 15.248,261 15.248,262 15.248,263 15.248,264 15.248,265 13.805,266 16.028,267 8.682,268 15.567,269 12.225,270 12.225,271 12.225,272 12.225,273 12.225,274 9.826,275 16.507,276 4.043,277 12.721,278 4.007,279 2.197,280 0.964,281 0.74,282 0.74,283 0.74,284 3.866,287 1,288 1,289 1,290 480,291 3.464,294 51.376,295 128.446,298 92.627,302 1.569,303 22.001,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49.5,315 228,316 4.677,317 4.456,318 6.719,319 4.165,320 3.191,321 4.521,322 0.8,323 10.946,324 3.141,325 4.584,326 3.301,327 6.689,328 4.098,329 3.158,330 4.468,332 10.765,333 2.912,334 3.808,335 2.806,336 5.776,337 3.586,338 2.606,339 3.172,341 7.898,342 2.561,343 3.565,344 2.608,345 5.251,346 3.287,347 2.32,348 2.832,350 6.643,351 2.246,352 3.296,353 2.312,354 5.033,355 3.059,356 2.105,357 2.391,359 5.998,360 1.995,361 2.851,362 1.522,363 4.547,364 2.486,365 1.502,366 1.958,368 4.359,369 1.476,370 2.564,371 1.333,372 3.972,373 2.134,374 1.172,375 1.583,377 3.071,378 1.125,379 2.101,380 1.166,381 3.604,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 1.077,390 3.414,391 1.792,392 0.819,393 0.987,395 1.914,396 0.792,397 1.799,398 0.754,399 3.24,400 1.508,401 0.558,402 0.679,404 1.288,405 0.527,406 1.531,407 0.51,408 2.894,409 1.275,410 0.33,411 0.376,413 0.476,414 0.311,415 1,416 0.178,417 2.548,418 0.784,419 -0.184,420 -0.197,422 -0.412,423 -0.177,424 0.966,425 -0.072,426 2.48,427 0.416,428 -0.546,429 -0.675,431 -1.432,432 -0.516,433 0.746,434 -0.636,435 2.16,436 0.119,437 -0.874,438 -1,440 -2.668,441 -0.866,442 0.582,443 -0.784,444 2,446 -1,447 -1.194,449 -3,450 -0.946,451 11.2,452 0.487,453 0.69,454 0.03,455 25.5,456 1.109,457 11,458 0.478,459 14.5,460 0.63,461 21.267,462 0.925,463 26.6,464 0.554,465 17.457,466 0.759,467 4.552,468 0.198,469 6.43,470 0.28,471 0.149,472 0.074,473 0.259,479 0.575,480 1.5,481 0.912,482 1.334,483 0.645,484 1.096,485 0.743,486 1.009,487 1.047,488 1.002,489 0.487,490 0.955,491 1.015,492 1.088,493 1.175,494 1.163,495 0.98,496 1.131,497 1.032,498 0.963,499 0.871,500 0.903,501 1.128,502 1.07,503 0.489,504 0.991,505 0.766,506 0.933,507 0.374,508 0.921,509 1.004,510 0.993,511 0.912,512 0.937,513 0.919,514 1.012,515 0.803,516 1.196,517 0.882,518 1.086,519 0.785,520 1.142,521 0.621,522 1.058,523 0.984,524 1.105,525 0.639,526 1.024,527 6,528 0.062,529 3.111,530 1.132,531 1.241,532 0.712,533 0.466,534 0.444,535 0.307,536 0.166,537 5448,538 13504,539 2.031,540 52.1,541 1,542 15,543 1,545 2,547 6,550 1.657,551 1.878,552 3.275,553 0.321,554 1,555 1,559 75.74,560 1.578,561 3.388,562 4.621,563 4.845,564 4.845,565 4.845,566 2.736,567 4.002,568 4.492,569 3.416,570 864.236,571 7.735,572 9793.04,574 1,576 1,577 268.078,578 1.631,579 4.433,580 0.24,581 0.006,582 0.086,583 0.033,584 0.044,585 0.025,586 0.018,587 0.02,588 0.016,589 0.012,590 0.502,591 0.33,592 1,593 1.422,594 107.63,595 0.125,596 -0.17,597 0.241,598 -0.066,599 -0.125,600 0.028,601 0.198,602 0.171,603 -0.016,604 0.07,605 0.292,606 0.069,607 -0.133,608 -0.036,609 -0.185,610 -0.102,611 -0.056,612 -0.099,613 -0.13,614 -0.027,615 -0.076,616 -0.009,617 -0.138,618 -0.087,619 0.083,620 -0.056,621 0.121,622 0.024,623 0.103,624 0.084,625 -0.065,626 0.007,627 -0.025,628 -0.012,629 -0.03,630 -0.04,631 -0.009,632 -0.201,633 0.006,634 -0.124,635 -0.028,636 -0.142,637 0.234,638 -0.106,639 0.056,640 -0.102,641 0.145,642 -0.045,643 4.074,644 4.609,645 0.652,646 20.019,647 0.995,648 1.133,649 1.251,650 1.565,651 0.645,652 3.258,653 3.611,654 3.829,655 4.043,656 4.304,657 4.394,658 4.522,659 4.682,660 4.718,661 4.654,662 5.782,663 0.593,664 335.52,665 3.258,666 4.812,667 5.652,668 6.538,669 7.402,670 8.291,671 9.166,672 10.058,673 10.939,674 11.834,675 6.3,677 1,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 48,716 12,717 1,718 25,720 50,721 17,722 8,723 3,724 3,730 3,731 4,740 2,741 1,743 3,745 8,746 9,747 1,750 2,753 1,755 2,760 1,761 1,764 25,765 4,766 2,767 6,768 1,773 3,777 0.667,778 2,788 1,792 1,793 2,796 1,815 1,819 2,821 1,823 2,827 23,830 1,833 6,834 1,837 1,838 1,847 4.2,850 2,854 12.25,855 8.867,856 5,857 2.921,858 2.219,859 1.315,860 0.987,861 4.878,862 9.261,863 3.497,864 4.131,865 4.601,866 5.159,867 5.69,868 6.054,869 6.455,870 6.873,871 6.939,872 7.057,873 0.857,874 34,875 8.705,877 3.845,878 7.714,879 16.878,881 14.498,883 2.214,884 50.917,888 270.735,889 83.879,890 36.315,892 44.313,894 5.807,895 78.072,896 315.048,897 36.315,898 16.793,899 12.715,900 59.689,901 44.313,902 28.854,903 13.915,904 258.964,906 270.735,907 114.387,908 44.313,909 5.807,911 200.109,912 114.94,915 49.03,916 65.357,917 5.807,919 270.735,920 80.628,921 83.879,923 5.807,924 270.735,925 23.803,926 57.393,927 33.191,928 44.313,929 270.735,930 80.628,931 83.879,933 0.592,934 0.332,935 0.155,936 0.091,937 18,938 8,939 0.1,940 5,941 1,942 1.133,943 3.486,944 181.823,945 0.133,946 15,947 98.042,950 1,951 16.656,952 6.737,953 3.834,954 2.387,955 63.842,956 8.372,958 3.363,961 2.455,963 33.191,964 435.242,965 32,968 -3.158,970 23.219,975 47.756,976 54.401,977 0.283,978 0.607,979 0.827,980 0.868,981 0.868,982 0.868,983 4.758,984 1,985 5.687,986 3.071,987 4.29,988 4.816,989 0.673,990 6.529,991 4.218,992 5.998,993 0.819,994 7.277,995 2.275,996 4.111,997 5.027,998 0.325,999 7.735,1000 3.977,1001 7.362,1002 0.558,1003 8.972,1004 1.914,1005 5.984,1006 7.179,1007 0.379,1008 10.677,1009 5.834,1010 8.768,1011 0.33,1012 10.729,1013 1.288,1014 6.581,1015 8.188,1016 0.268,1017 12.639,1018 6.366,1019 10.209,1020 -0.184,1021 12.525,1022 0.476,1023 7.982,1024 9.911,1025 0.239,1026 15.188,1027 7.749,1028 11.672,1029 -0.546,1030 14.346,1031 -0.412,1032 8.895,1033 11.218,1034 0.188,1035 17.415,1036 8.604,1037 13.152,1038 -0.874,1039 16.186,1040 -1.432,1041 10.133,1042 12.802,1043 0.156,1044 19.853,1045 9.816,1046 3.191,1047 -1,1048 18.04,1049 -2.668,1050 11.18,1051 14.226,1052 0.125,1053 22.177,1054 10.815,1055 3.158,1056 10.946,1057 19.903,1058 -3,1059 12.359,1060 15.761,1061 0.102,1062 24.579,1063 11.964,1064 2.606,1065 10.765,1066 21.774,1067 4.521,1068 13.465,1069 17.231,1070 0.082,1071 26.94,1072 13.028,1073 2.32,1074 7.898,1075 23.651,1076 4.468,1077 14.624,1078 18.747,1079 0.066,1080 29.331,1081 14.155,1082 2.105,1083 6.643,1084 25.533,1085 3.172,1086 15.755,1087 20.236,1088 0.054,1089 31.706,1090 15.25,1091 1.502,1092 5.998,1093 27.418,1094 2.832,1095 16.908,1096 21.745,1097 0.043,1098 34.093,1099 16.373,1100 1.172,1101 4.359,1102 29.307,1103 2.391,1104 18.052,1105 23.242,1106 0.035,1107 36.474,1108 17.483,1109 5413,1110 8653,1111 16.296,1112 30.949,1113 37.39,1114 38.492,1115 38.919,1116 37.543,1117 37.519,1118 47.937,1119 1.6,1120 111.264,1121 36.136,1122 5.677,1123 6.456,1124 6.134,1125 5.2,1126 5.191,1127 7.521,1128 1.2,1129 18.076,1130 5.141,1131 12.324,1132 1.496,1133 1.54,1134 1.557,1135 1.502,1136 1.501,1137 1.917,1138 0.064,1139 4.451,1140 1.445,1141 4.157,1142 4.187,1143 4.721,1144 4.087,1145 7.716,1146 4.081,1147 3.969,1148 3.94,1149 4.098,1150 3.932,1151 6.999,1152 3.802,1153 3.808,1154 3.871,1155 3.687,1156 3.668,1157 4.958,1158 3.658,1159 3.477,1160 3.534,1161 3.395,1162 3.337,1163 4.362,1164 3.33,1165 3.235,1166 3.331,1167 3.055,1168 3.032,1169 4.276,1170 3.023,1171 3.145,1172 3.24,1173 2.923,1174 2.941,1175 4.14,1176 2.91,1177 3.111,1178 3.206,1179 2.866,1180 2.907,1181 3.851,1182 2.889,1183 2.964,1184 3.024,1185 2.805,1186 2.812,1187 3.678,1188 2.785,1189 0.187,1190 0.178,1191 0.269,1192 0.167,1193 0.128,1194 4.677,1195 0.181,1196 4.456,1197 0.032,1198 6.719,1199 0.438,1200 4.165,1201 0.126,1202 3.191,1203 4.521,1204 0.8,1205 10.946,1206 3.141,1207 1.99,1208 1.971,1209 2.095,1210 2.071,1211 1.446,1212 2.09,1213 1.842,1214 1.808,1215 2.012,1216 2.005,1217 1.308,1218 2.026,1219 1.732,1220 1.738,1221 1.723,1222 1.881,1223 1.062,1224 1.924,1225 1.463,1226 1.395,1227 1.664,1228 1.688,1229 0.825,1230 1.685,1231 1.293,1232 1.217,1233 1.613,1234 1.538,1235 0.809,1236 1.569,1237 1.154,1238 1.064,1239 1.513,1240 1.416,1241 0.691,1242 1.456,1243 1.153,1244 1.053,1245 1.489,1246 1.376,1247 0.574,1248 1.429,1249 1.007,1250 0.951,1251 1.18,1252 1.212,1253 0.423,1254 1.256,1255 3.932,1257 5.273,1258 2.398,1259 6.799,1260 4.727,1261 8.401,1262 6.843,1263 10.043,1265 3.634,1271 5.304,1272 2.372,1275 0.594,1276 2.374,1280 28.476,1281 75.74,1282 162.613,1283 221.814,1284 232.568,1285 232.568,1286 232.568,1287 43.249,1288 7.041,1289 65.2,1290 73.58,1291 17,1292 12.362,1293 3.7,1294 3,1295 36.857,1296 78,1297 79,1298 0.233,1299 179.457,1300 302.31,1301 429.635,1302 9841,1304 16.449,1305 0.715,1306 0.636,1307 16.699,1308 14.618,1309 10.982,1310 0.439,1311 0.393,1312 8.219,1313 9.772,1314 7.814,1315 6.48,1316 11.836,1317 9.832,1318 10.421,1319 0.289,1320 0.237,1321 11.804,1322 8.52,1323 8.43,1324 0.187,1325 0.139,1326 9.319,1327 6.271,1328 6.196,1329 0.111,1330 0.073,1331 6.581,1332 4.065,1333 5.295,1334 0.073,1335 0.042,1336 5.688,1337 3.061,1338 0.362,1339 77.111,1340 0.248,1341 22.525,1342 0.646,1343 122,1344 314.642,1345 164.371,1346 326.045,1347 439.04,1348 300,1349 142,1350 293.305,1351 189.047,1352 332.626,1353 477.53,1354 310,1355 8.717} {0 CHEMBL1278001,1 1.557,2 10.229,3 5.397,4 29.127,5 141.062,6 7.912,7 0.675,8 4.224,9 4.328,10 3.977,11 3.87,12 5.247,13 3.818,14 4.775,15 4.925,16 4.317,17 4.28,18 5.926,19 4.221,20 5.05,21 5.246,22 4.442,23 4.448,24 6.105,25 4.351,26 5.11,27 5.303,28 4.453,29 4.457,30 6.213,31 4.353,32 5.103,33 5.297,34 4.426,35 4.424,36 6.251,37 4.337,38 5.081,39 5.271,40 4.397,41 4.405,42 6.237,43 4.327,44 5.015,45 5.188,46 4.383,47 4.415,48 6.107,49 4.327,50 5.088,51 5.268,52 4.293,53 4.406,54 6.209,55 4.312,56 0.094,57 0.902,58 14.062,59 6.004,60 15.057,61 7.12,62 0.242,63 1.536,64 23.7,65 9.523,66 43.468,67 11.959,68 0.354,69 1.98,70 36.008,71 13.73,72 44.228,73 17.312,74 0.33,75 2.034,76 40.226,77 15.405,78 49.913,79 18.632,80 0.371,81 2.007,82 42.961,83 15.509,84 69.448,85 18.24,86 0.499,87 1.943,88 38.055,89 13.902,90 78.115,91 16.516,92 0.307,93 1.926,94 37.399,95 13.409,96 50.553,97 15.411,98 0.485,99 1.975,100 40.313,101 14.371,102 78.729,103 16.608,104 5,105 58,106 0.245,107 0.508,108 0.643,109 0.794,110 0.841,111 0.852,112 3.59,113 0.999,114 -5.11,115 -5.01,116 -4.69,119 45.9,125 5,140 15,141 4,142 2,145 1,150 1,164 1,169 17,171 1,172 6,178 19,181 2,182 15,184 1,189 14,192 2,193 15,199 9,202 2,203 16,208 2,211 13,214 2,215 13,220 2,222 16,226 11,233 17,237 10,240 2,244 16,249 7,252 2,256 17,259 2347,260 24.186,261 24.186,262 24.186,263 24.186,264 24.186,265 20.864,266 24.613,267 14.319,268 24.725,269 19.814,270 19.814,271 19.814,272 19.814,273 19.814,274 14.742,275 36.3,276 6.838,277 20.737,278 4.374,279 2.708,280 1.85,281 0.89,282 0.59,283 0.525,284 4.309,289 1,290 803,291 3.464,294 71.041,295 459.993,298 130.972,299 142.249,302 1.492,303 34.513,306 1,307 0.67,308 1,309 0.6,310 0.5,311 1,312 1,313 0.82,314 74,315 358,316 5.069,317 5.366,318 7.797,319 4.502,320 3.619,321 5.045,322 2.95,323 14.31,324 3.214,325 4.564,326 3.408,327 6.735,328 4.077,329 3.112,330 4.51,331 0.8,332 10.916,333 3.002,334 4.276,335 3.102,336 6.312,337 3.766,338 2.812,339 4.109,340 0.522,341 9.382,342 2.65,343 3.997,344 2.968,345 6.118,346 3.688,347 2.735,348 3.475,349 0.4,350 8.973,351 2.595,352 3.859,353 2.685,354 5.594,355 3.467,356 2.479,357 3.301,359 7.317,360 2.432,361 3.358,362 2.462,363 5.329,364 2.926,365 1.965,366 2.724,368 6.218,369 1.884,370 3.223,371 2.095,372 4.998,373 2.833,374 1.873,375 2.474,377 5.435,378 1.79,379 3.118,380 1.823,381 4.566,382 2.618,383 1.645,384 2.427,386 4.453,387 1.618,388 3.05,389 1.618,390 4.403,391 2.618,392 1.618,393 2.233,395 4.101,396 1.598,397 2.904,398 1.511,399 4.104,400 2.454,401 1.464,402 2.041,404 3.61,405 1.448,406 2.772,407 1.488,408 3.743,409 2.342,410 1.366,411 1.892,413 3.047,414 1.33,415 2.756,416 1.315,417 3.589,418 2.257,419 1.258,420 1.846,422 2.796,423 1.256,424 2.5,425 1.247,426 3.548,427 2.02,428 1.082,429 1.5,431 2.654,432 1.012,433 2.332,434 1.146,435 3.502,436 2,437 1,438 1.278,440 2.198,441 1,442 2.231,443 1.134,444 3.301,445 1.967,446 1,447 1.144,449 2.136,450 0.965,451 17.1,452 0.489,453 0.821,454 0.023,455 50,456 1.429,457 27.5,458 0.786,459 22.5,460 0.643,461 28.624,462 0.818,463 35.7,464 0.585,465 41.901,466 1.197,467 9.72,468 0.278,469 7.39,470 0.211,471 0.039,472 0.049,473 0.281,479 0.526,480 1.142,481 0.804,482 1.058,483 0.629,484 0.879,485 0.893,486 1.118,487 0.854,488 0.925,489 0.618,490 0.908,491 0.863,492 0.978,493 0.941,494 0.949,495 0.714,496 0.913,497 1.097,498 1.108,499 1.079,500 1.103,501 1.151,502 0.997,503 1.374,504 1.029,505 1.165,506 1.106,507 1.526,508 0.91,509 1.629,510 0.982,511 1.032,512 0.884,513 1.851,514 0.874,515 1.447,516 1.106,517 1.371,518 1.157,519 1.266,520 1.013,521 1.739,522 1.022,523 1.389,524 1.163,525 1.89,526 1.099,527 6,528 0.083,529 4.444,530 2.944,531 2.264,532 1.563,533 1.14,534 0.701,535 0.488,536 0.282,537 17357,538 40683,539 2.202,540 42.6,542 25,545 1,550 1.777,551 2.111,552 3.338,553 -0.401,559 94.958,560 1.557,561 3.223,562 4.08,563 5.041,564 5.341,565 5.406,566 2.707,567 4.786,568 5.097,569 3.536,570 2104.06,571 9.008,572 31535.8,577 361.775,578 1.32,579 5.078,580 0.15,581 0.002,582 0.077,583 0.047,584 0.037,585 0.025,586 0.019,587 0.012,588 0.009,589 0.006,590 0.384,591 0.17,592 0.75,593 0.383,594 184.659,595 0.157,596 -0.033,597 0.19,598 -0.015,599 -0.12,600 0.038,601 0.064,602 -0.028,603 0.041,604 0.012,605 0.168,606 -0.007,607 0.091,608 0.075,609 0.092,610 0.057,611 0.109,612 0.043,613 0.062,614 -0.089,615 0.041,616 -0.046,617 0.066,618 -0.026,619 -0.023,620 -0.017,621 0.02,622 -0.019,623 0.007,624 0.064,625 -0.113,626 0.034,627 -0.003,628 0.096,629 -0.141,630 0.057,631 -0.218,632 -0.009,633 -0.195,634 -0.083,635 -0.087,636 -0.08,637 -0.247,638 0.005,639 -0.296,640 -0.137,641 -0.208,642 -0.166,643 4.791,644 7.116,645 0.886,646 36.744,647 0.998,648 1.113,649 3.882,650 15.072,651 0.704,652 3.714,653 4.078,654 4.419,655 4.745,656 5.037,657 5.17,658 5.407,659 5.606,660 5.771,661 5.908,662 6.63,663 0.664,664 482.65,665 3.714,666 5.283,667 6.168,668 7.077,669 7.984,670 8.905,671 9.822,672 10.751,673 11.676,674 12.609,675 6.6,677 1,681 1,683 1,685 1,687 4,688 15,689 1,693 4,694 1,695 27,709 1,714 61,716 29,717 4,718 40,720 66,721 28,722 23,723 7,724 15,730 6,731 8,745 23,746 5,750 2,753 1,755 2,764 26,765 5,766 1,767 7,768 1,773 4,777 0.667,778 2,784 1,792 1,793 5,796 1,797 1,814 1,819 4,821 1,827 35,829 1,833 5,834 1,838 1,847 3.3,850 2,854 16.583,855 10.85,856 7.5,857 3.698,858 4.737,859 1.55,860 1.067,861 5.713,862 13.345,863 4.034,864 4.721,865 5.387,866 6.06,867 6.679,868 7.077,869 7.588,870 8.07,871 8.477,872 8.848,873 0.857,874 62,875 13.321,877 6.176,878 7.65,879 25.31,881 21.966,883 2.15,884 75.25,888 294.278,889 177.196,890 39.575,892 44.313,894 6.046,895 171.15,896 338.591,897 39.575,899 10.529,900 166.2,901 60.976,902 20.113,903 3.266,904 294.278,906 294.278,907 210.725,908 44.313,909 6.046,911 294.278,912 44.313,915 30.316,916 163.746,917 22.709,919 294.278,920 83.888,921 177.196,923 6.046,924 294.278,925 29.007,926 147.045,927 18.011,928 60.976,929 294.278,930 83.888,931 177.196,933 0.586,934 0.352,935 0.2,936 0.113,937 31,938 12,939 0.076,940 5,941 2,942 1.129,943 4.455,944 367.866,945 0.129,946 31,947 167.525,950 1,951 22.147,952 9.029,953 4.071,954 3.068,955 82.111,956 29.063,957 4.724,961 2.482,962 1.81,963 18.011,964 555.361,965 55.5,968 -3.874,970 28.231,975 60.858,976 67.899,977 0.262,978 0.543,979 0.688,980 0.85,981 0.9,982 0.912,983 5.282,984 1.645,985 6.176,986 5.435,987 4.762,988 5.409,989 3.007,990 7.074,991 4.669,992 6.527,993 1.618,994 7.787,995 4.453,996 4.443,997 5.427,998 0.325,999 8.307,1000 4.209,1001 7.882,1002 1.464,1003 9.52,1004 4.101,1005 6.457,1006 7.794,1007 5.031,1008 11.462,1009 6.223,1010 9.287,1011 1.366,1012 11.331,1013 3.61,1014 7.031,1015 8.706,1016 0.268,1017 13.592,1018 6.624,1019 10.736,1020 1.258,1021 13.197,1022 3.047,1023 8.525,1024 10.558,1025 7.185,1026 16.352,1027 8.1,1028 12.216,1029 1.082,1030 15.101,1031 2.796,1032 9.491,1033 11.858,1034 0.188,1035 18.809,1036 8.896,1037 13.721,1038 1,1039 17.033,1040 2.654,1041 10.807,1042 13.53,1043 9.348,1044 21.477,1045 10.157,1046 3.619,1047 1,1048 18.987,1049 2.198,1050 11.943,1051 14.996,1052 0.125,1053 24.055,1054 11.137,1055 3.112,1056 14.31,1057 20.958,1058 2.136,1059 13.206,1060 16.607,1061 11.511,1062 26.706,1063 12.314,1064 2.812,1065 10.916,1066 22.944,1067 5.045,1068 14.414,1069 18.144,1070 0.082,1071 29.331,1072 13.378,1073 2.735,1074 9.382,1075 24.941,1076 4.51,1077 15.669,1078 19.739,1079 13.675,1080 31.983,1081 14.526,1082 2.479,1083 8.973,1084 26.947,1085 4.109,1086 16.91,1087 21.309,1088 0.054,1089 34.626,1090 15.63,1091 1.965,1092 7.317,1093 28.961,1094 3.475,1095 18.17,1096 22.902,1097 15.838,1098 37.281,1099 16.771,1100 1.873,1101 6.218,1102 30.982,1103 3.301,1104 19.428,1105 24.488,1106 0.035,1107 39.934,1108 17.896,1109 15840,1110 24487,1111 27.622,1112 42.955,1113 61.167,1114 62.612,1115 61.671,1116 61.18,1117 61.069,1118 84.016,1119 9.343,1120 182.719,1121 58.513,1122 6.069,1123 7.366,1124 7.599,1125 5.658,1126 5.619,1127 8.045,1128 5.9,1129 23.019,1130 5.214,1131 10.209,1132 1.529,1133 1.565,1134 1.542,1135 1.529,1136 1.527,1137 2.1,1138 0.234,1139 4.568,1140 1.463,1141 4.244,1142 4.248,1143 4.769,1144 4.225,1145 7.715,1146 4.169,1147 4.054,1148 4.079,1149 4.035,1150 3.986,1151 6.999,1152 3.99,1153 3.887,1154 3.919,1155 3.933,1156 3.835,1157 4.991,1158 3.822,1159 3.809,1160 3.866,1161 3.805,1162 3.71,1163 4.869,1164 3.649,1165 3.67,1166 3.653,1167 3.644,1168 3.537,1169 4.731,1170 3.524,1171 3.407,1172 3.453,1173 3.316,1174 3.323,1175 4.464,1176 3.302,1177 3.34,1178 3.392,1179 3.263,1180 3.157,1181 4.316,1182 3.165,1183 3.111,1184 3.206,1185 2.893,1186 2.941,1187 4.239,1188 2.91,1189 0.127,1190 0.134,1191 0.195,1192 0.113,1193 0.09,1194 5.069,1195 0.126,1196 5.366,1197 0.074,1198 7.797,1199 0.358,1200 4.502,1201 0.08,1202 3.619,1203 5.045,1204 2.95,1205 14.31,1206 3.214,1207 2.11,1208 2.113,1209 2.145,1210 2.144,1211 1.356,1212 2.171,1213 1.971,1214 1.945,1215 2.068,1216 2.082,1217 1.286,1218 2.08,1219 1.899,1220 1.871,1221 2.02,1222 2.002,1223 1.189,1224 2.012,1225 1.705,1226 1.681,1227 1.89,1228 1.886,1229 1.098,1230 1.901,1231 1.627,1232 1.599,1233 1.661,1234 1.758,1235 0.835,1236 1.782,1237 1.426,1238 1.385,1239 1.55,1240 1.58,1241 0.825,1242 1.592,1243 1.276,1244 1.227,1245 1.513,1246 1.45,1247 0.694,1248 1.479,1249 1.153,1250 1.064,1251 1.315,1252 1.376,1253 0.596,1254 1.429,1255 4.394,1257 5.746,1258 2.398,1259 7.311,1260 4.844,1261 8.97,1262 7.066,1263 10.679,1271 4.082,1272 3.373,1276 2.29,1280 40.497,1281 94.958,1282 196.594,1283 248.907,1284 307.51,1285 325.775,1286 329.775,1287 59.785,1288 8.608,1289 67.23,1290 75.61,1291 35,1292 13.111,1293 4.907,1294 4.044,1295 46.57,1296 133,1297 149,1298 0.164,1299 246.167,1300 412.71,1301 592.409,1302 67900,1304 23.83,1305 0.681,1306 0.574,1307 24.08,1308 20.079,1309 17.109,1310 0.428,1311 0.333,1312 11.854,1313 15.921,1314 11.493,1315 9.47,1316 17.898,1317 13.325,1318 15.708,1319 0.271,1320 0.185,1321 16.99,1322 10.701,1323 13.838,1324 0.169,1325 0.102,1326 15.139,1327 8.397,1328 12.135,1329 0.106,1330 0.057,1331 13.494,1332 6.468,1333 10.372,1334 0.068,1335 0.032,1336 11.766,1337 4.846,1338 0.25,1339 113.601,1340 0.19,1341 31.472,1342 0.479,1343 196,1344 501.6,1345 248.468,1346 516.808,1347 725.82,1348 482,1349 238,1350 526.863,1351 301.895,1352 573.116,1353 849.05,1354 541,1355 5.301} {0 CHEMBL1279,1 1.485,2 7.056,3 1.414,4 2,5 71.134,6 6.953,7 0.5,8 3.657,9 3.798,10 3.163,11 3.198,12 4.71,13 3.167,14 4.205,15 4.39,16 3.546,17 3.637,18 5.237,19 3.575,20 4.483,21 4.702,22 3.587,23 3.782,24 5.436,25 3.687,26 4.56,27 4.809,28 3.424,29 3.752,30 5.458,31 3.614,32 4.462,33 4.752,34 3.235,35 3.563,36 5.273,37 3.402,38 4.204,39 4.463,40 3.114,41 3.329,42 5.176,43 3.198,44 4.047,45 4.318,46 2.684,47 3.035,48 5.026,49 2.885,50 3.802,51 4.107,52 2.353,53 2.657,54 4.864,55 2.486,56 0.045,57 0.536,58 7.909,59 3.071,60 7.413,61 4.374,62 0.125,63 0.865,64 14.333,65 5.563,66 21.599,67 8.013,68 0.154,69 1.059,70 19.656,71 7.121,72 25.874,73 10.39,74 0.192,75 1.076,76 21.762,77 7.592,78 29.449,79 11.269,80 0.167,81 0.91,82 20.212,83 7.258,84 23.498,85 10.828,86 0.17,87 0.732,88 15.358,89 5.254,90 20.276,91 7.881,92 0.176,93 0.586,94 13.585,95 3.835,96 28.63,97 5.907,98 0.222,99 0.411,100 11.031,101 3.104,102 31.042,103 4.728,104 14,105 29,106 0.274,107 0.668,108 0.832,109 0.878,110 0.878,111 0.878,112 2.963,113 0.944,114 -2.46,115 -2.49,116 -2.44,119 40,121 3,124 1,127 1,140 3,141 3,150 2,156 1,161 1,162 1,163 1,169 7,172 1,173 1,174 1,176 7,178 8,180 1,182 2,186 8,189 8,191 2,193 2,197 4,199 6,201 2,203 1,207 1,208 2,211 5,213 1,215 1,218 1,219 1,220 3,221 1,222 2,224 1,226 1,231 2,235 1,237 1,240 1,241 1,242 1,243 1,246 1,259 326,260 12.179,261 12.179,262 12.179,263 12.179,264 12.179,265 10.905,266 13.025,267 6.965,268 12.295,269 9.804,270 9.804,271 9.804,272 9.804,273 9.804,274 7.75,275 14.391,276 3.228,277 9.956,278 3.644,279 1.507,280 0.615,281 0.364,282 0.364,283 0.364,284 3.639,287 1,288 1,289 1,290 271,291 2.646,294 24.02,295 68.221,298 97.387,302 1.068,303 14.749,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38.5,315 127,316 4.656,317 3.515,318 6.775,319 4.219,320 3.233,321 4.603,322 0.98,323 11.182,324 3.187,325 4.042,326 3.331,327 5.934,328 3.711,329 2.705,330 3.504,331 0.4,332 8.27,333 2.715,334 3.617,335 2.612,336 5.576,337 3.389,338 2.411,339 2.915,341 7.227,342 2.354,343 3.24,344 2.284,345 5.187,346 2.978,347 2,348 2.413,350 6.221,351 1.951,352 3.145,353 1.92,354 4.871,355 2.725,356 1.749,357 2.295,359 5.27,360 1.705,361 2.758,362 1.805,363 3.856,364 2.256,365 1.235,366 1.768,368 2.956,369 1.249,370 2.285,371 1.142,372 3.748,373 2,374 1,375 1.226,377 2.637,378 1,379 1.823,380 0.858,381 3.173,382 1.588,383 0.642,384 0.723,386 1.327,387 0.605,388 1.442,389 0.451,390 2.793,391 1.228,392 0.275,393 0.321,395 0.495,396 0.261,397 0.842,398 0.117,399 2.443,400 0.486,401 -0.492,402 -0.581,404 -1.119,405 -0.477,406 0.684,407 -0.31,408 2.281,409 0.314,410 -0.68,411 -0.814,413 -2,414 -0.676,415 0.444,416 -0.536,417 2.201,418 0.054,419 -1,420 -1.163,422 -2.096,423 -0.96,424 0.255,425 -0.815,426 2,428 -1,429 -1.351,431 -2.705,432 -1,433 0.231,434 -0.96,435 1.648,436 -0.037,437 -1,438 -1.434,440 -3.19,441 -1.043,442 -0.308,443 -1.355,444 1.345,445 -0.639,446 -1.579,447 -1.681,449 -4.181,450 -1.479,451 8.533,452 0.474,453 0.486,454 0.027,455 21,456 1.167,457 9.5,458 0.528,459 11.5,460 0.639,461 14.196,462 0.789,463 19.667,464 0.562,465 13.203,466 0.733,467 4.068,468 0.226,469 4.618,470 0.257,471 0.145,473 0.41,479 0.897,480 1.146,481 0.882,482 0.957,483 0.715,484 0.909,485 0.635,486 1.091,487 0.838,488 0.993,489 0.406,490 0.945,491 0.943,492 1.1,493 1.002,494 1.056,495 0.743,496 1.038,497 0.95,498 1.073,499 1.119,500 1.121,501 0.82,502 1.136,503 0.562,504 0.938,505 0.798,506 0.974,507 0.611,508 0.93,509 0.655,510 1.151,511 0.946,512 1.17,513 0.704,514 1.108,515 1.606,516 1.093,517 1.313,518 1.109,519 1.679,520 1.16,521 1.362,522 0.74,523 1.036,524 0.837,525 1.822,526 0.898,527 4,529 2.222,530 1.389,531 0.937,532 0.719,533 0.346,534 0.172,535 0.111,537 2544,538 6182,539 2.086,540 48.6,542 7,545 4,546 2,547 4,550 1.591,551 1.929,552 2.863,553 1.996,555 1,556 1,557 1,559 51.98,560 1.485,561 3.623,562 4.515,563 4.765,564 4.765,565 4.765,566 2.261,567 3.837,568 4.14,569 2.924,570 447.387,571 7.047,572 4065.94,573 1,574 1,576 1,577 179.525,578 1.481,579 4.09,580 0.2,582 0.077,583 0.048,584 0.041,585 0.038,586 0.022,587 0.019,588 0.018,590 0.462,591 0.5,592 1,593 1.015,594 74.522,595 -0.127,596 0.104,597 0.019,598 0.123,599 -0.088,600 0.1,601 0.09,602 0.039,603 0.075,604 0.069,605 0.174,606 0.071,607 -0.098,608 -0.054,609 -0.064,610 -0.038,611 0.008,612 -0.044,613 -0.118,614 -0.082,615 -0.171,616 -0.134,617 -0.061,618 -0.154,619 0.126,620 -0.056,621 0.157,622 0.013,623 0.055,624 0.075,625 0.217,626 -0.195,627 0.018,628 -0.202,629 0.11,630 -0.133,631 -0.261,632 -0.152,633 -0.294,634 -0.218,635 -0.262,636 -0.252,637 0.125,638 0.093,639 0.021,640 0.031,641 -0.067,642 0.009,643 2.034,644 4.255,645 0.722,646 10.914,647 0.995,648 1.132,649 1.234,650 1.524,651 0.651,652 3.045,653 3.401,654 3.714,655 4.007,656 4.304,657 4.443,658 4.585,659 4.691,660 4.543,661 4.443,662 4.28,663 0.613,664 243.34,665 3.045,666 4.595,667 5.468,668 6.368,669 7.268,670 8.176,671 9.085,672 9.997,673 10.91,674 11.825,675 8.6,677 1,682 1,683 1,687 2,688 3,690 1,693 3,695 10,701 1,714 35,716 11,717 1,718 20,720 37,721 14,722 8,723 3,724 3,725 1,730 3,731 6,740 4,743 4,745 9,746 5,750 1,755 1,759 1,761 1,764 17,765 3,766 4,767 4,773 3,777 0.333,778 1,788 1,792 1,793 2,796 2,814 1,819 1,823 1,827 18,828 1,833 3,834 1,837 1,847 2.9,850 1,854 9.333,855 6.333,856 3.944,857 2.111,858 2.219,859 1.329,860 1.021,861 2.784,862 8.968,863 3.296,864 3.937,865 4.581,866 5.227,867 5.807,868 6.228,869 6.658,870 7.019,871 6.987,872 7.019,873 0.8,874 29,875 6.657,877 2.875,878 7.713,879 12.934,881 11.091,883 2.213,884 39.833,885 0.002,888 153.024,889 62.978,890 67.693,892 25.145,895 62.978,896 178.169,897 67.693,898 8.396,899 40.501,900 46.439,901 29.85,902 25.73,903 4.901,904 153.024,906 153.024,907 130.672,908 25.145,911 105.94,912 72.229,915 75.297,916 55.375,919 153.024,920 92.838,921 62.978,924 153.024,925 26.153,926 36.825,927 34.796,928 58.042,929 153.024,930 92.838,931 62.978,933 0.589,934 0.352,935 0.185,936 0.111,937 16,938 7,939 0.054,940 2,941 2,942 1.308,943 2.986,944 135.918,945 0.308,946 13,947 75.059,951 11.601,952 4.32,953 1.921,954 2.239,955 76.053,956 5.634,958 3.447,961 3.215,963 67.693,964 308.841,965 26,970 11.255,974 -0.368,975 34.818,976 39.611,977 0.29,978 0.706,979 0.88,980 0.929,981 0.929,982 0.929,983 4.549,984 0.642,985 5.476,986 2.637,987 4.078,988 4.62,989 1.176,990 6.33,991 4.05,992 5.774,993 0.275,994 7.064,995 1.327,996 3.761,997 4.605,999 7.302,1000 3.73,1001 7.106,1002 -0.492,1003 8.748,1004 0.495,1005 5.714,1006 6.909,1007 1.063,1008 10.408,1009 5.663,1010 8.476,1011 -0.68,1012 10.487,1013 -1.119,1014 6.196,1015 7.74,1017 12.204,1018 6.139,1019 9.88,1020 -1,1021 12.261,1022 -2,1023 7.649,1024 9.559,1025 1.022,1026 14.843,1027 7.578,1028 11.309,1029 -1,1030 14.06,1031 -2.096,1032 8.497,1033 10.776,1035 16.998,1036 8.415,1037 12.758,1038 -1,1039 15.877,1040 -2.705,1041 9.759,1042 12.411,1043 0.993,1044 19.481,1045 9.664,1046 3.233,1047 -1.579,1048 17.709,1049 -3.19,1050 10.777,1051 13.802,1053 21.79,1054 10.668,1055 2.705,1056 11.182,1057 19.552,1058 -4.181,1059 11.968,1060 15.367,1061 0.967,1062 24.222,1063 11.846,1064 2.411,1065 8.27,1066 21.406,1067 4.603,1068 13.065,1069 16.833,1071 26.593,1072 12.927,1073 2,1074 7.227,1075 23.268,1076 3.504,1077 14.233,1078 18.372,1079 0.942,1080 29.01,1081 14.081,1082 1.749,1083 6.221,1084 25.138,1085 2.915,1086 15.366,1087 19.872,1089 31.406,1090 15.198,1091 1.235,1092 5.27,1093 27.014,1094 2.413,1095 16.529,1096 21.401,1097 0.917,1098 33.819,1099 16.346,1100 1,1101 2.956,1102 28.895,1103 2.295,1104 17.68,1105 22.915,1107 36.225,1108 17.481,1109 2552,1110 4047,1111 13.235,1112 22.801,1113 30.619,1114 31.373,1115 31.841,1116 30.459,1117 30.504,1118 39.536,1119 2.76,1120 91.169,1121 30.056,1122 5.599,1123 5.515,1124 6.323,1125 5.219,1126 5.233,1127 7.603,1128 1.96,1129 18.2,1130 5.187,1131 8.781,1132 1.531,1133 1.569,1134 1.592,1135 1.523,1136 1.525,1137 1.977,1138 0.138,1139 4.558,1140 1.503,1141 4.167,1142 4.2,1143 4.127,1144 4.088,1145 7.437,1146 4.094,1147 3.744,1148 3.796,1149 3.65,1150 3.629,1151 4.961,1152 3.626,1153 3.494,1154 3.558,1155 3.406,1156 3.269,1157 4.854,1158 3.294,1159 3.254,1160 3.344,1161 3.086,1162 3.013,1163 4.372,1164 3.014,1165 3.069,1166 3.148,1167 2.904,1168 2.934,1169 4.174,1170 2.921,1171 3.013,1172 3.108,1173 2.82,1174 2.764,1175 3.802,1176 2.759,1177 2.792,1178 2.88,1179 2.591,1180 2.581,1181 3.663,1182 2.585,1183 2.452,1184 2.564,1185 2.224,1186 2.258,1187 3.37,1188 2.24,1189 0.233,1190 0.176,1191 0.339,1192 0.211,1193 0.162,1194 4.656,1195 0.23,1196 3.515,1197 0.049,1198 6.775,1199 0.559,1200 4.219,1201 0.159,1202 3.233,1203 4.603,1204 0.98,1205 11.182,1206 3.187,1207 1.965,1208 1.946,1209 2.065,1210 2.042,1211 1.405,1212 2.049,1213 1.838,1214 1.789,1215 1.99,1216 1.999,1217 1.15,1218 2.001,1219 1.376,1220 1.298,1221 1.659,1222 1.659,1223 0.77,1224 1.657,1225 1.265,1226 1.214,1227 1.458,1228 1.559,1229 0.664,1230 1.534,1231 1.118,1232 1.042,1233 1.403,1234 1.323,1235 0.53,1236 1.352,1237 0.991,1238 0.898,1239 1.3,1240 1.271,1241 0.297,1242 1.302,1243 0.78,1244 0.697,1245 1.078,1246 1.011,1247 0.151,1248 1.043,1249 0.64,1250 0.549,1251 0.993,1252 0.895,1254 0.935,1255 3.714,1257 5.056,1258 2.398,1259 6.603,1260 4.844,1261 8.24,1262 7.05,1263 9.927,1265 1.999,1269 5.342,1271 3.217,1272 3.331,1275 0.522,1280 21.467,1281 51.98,1282 126.796,1283 158.015,1284 166.77,1285 166.77,1286 166.77,1287 24.431,1288 6.75,1289 70.91,1290 70.91,1291 17,1292 12.338,1293 3.585,1294 2.807,1295 25.619,1296 46,1297 47,1298 0.292,1299 132.625,1300 220.47,1301 315.365,1302 6290,1304 12.698,1305 0.705,1306 0.579,1307 12.698,1308 10.416,1309 8.686,1310 0.434,1311 0.315,1312 6.226,1313 8.429,1314 6.06,1315 5.017,1316 8.686,1317 6.293,1318 7.988,1319 0.275,1320 0.17,1321 7.988,1322 4.935,1323 6.921,1324 0.173,1325 0.097,1326 6.921,1327 3.881,1328 5.66,1329 0.105,1330 0.052,1331 5.66,1332 2.817,1333 4.888,1334 0.067,1335 0.029,1336 4.888,1337 2.143,1338 0.433,1339 53.947,1340 0.275,1341 17.575,1342 0.876,1343 98,1344 239.714,1345 104.683,1346 237.799,1347 328.55,1348 222,1349 118,1350 244.862,1351 124.157,1352 251.042,1353 368.51,1354 237,1355 8.357} {0 CHEMBL128,1 1.643,2 8.55,3 1.631,4 2.66,5 82.331,6 7.206,7 0.476,8 3.789,9 3.915,10 3.517,11 3.319,12 4.755,13 3.248,14 4.359,15 4.56,16 3.718,17 3.7,18 5.552,19 3.614,20 4.541,21 4.735,22 3.662,23 3.842,24 5.587,25 3.708,26 4.686,27 4.946,28 3.582,29 3.82,30 5.641,31 3.652,32 4.552,33 4.822,34 3.522,35 3.675,36 5.492,37 3.526,38 4.36,39 4.572,40 3.524,41 3.61,42 5.364,43 3.472,44 4.46,45 4.729,46 3.353,47 3.524,48 5.452,49 3.352,50 4.295,51 4.572,52 2.957,53 3.264,54 5.249,55 3.083,56 0.082,57 0.631,58 12.657,59 3.981,60 14.361,61 5.329,62 0.378,63 0.961,64 21.24,65 6.58,66 52.533,67 8.878,68 0.205,69 1.088,70 24.515,71 8.726,72 39.636,73 11.348,74 0.265,75 1.122,76 28.597,77 9.489,78 52.362,79 12.938,80 0.258,81 0.985,82 24.73,83 7.965,84 37.943,85 11.036,86 0.128,87 0.908,88 19.507,89 6.559,90 21.392,91 9.185,92 0.298,93 0.891,94 24.592,95 7.257,96 36.544,97 9.963,98 0.318,99 0.691,100 20.797,101 5.424,102 46.877,103 7.72,104 38,105 30,106 0.293,107 0.598,108 0.766,109 0.823,110 0.823,111 0.823,112 3.057,113 1.173,114 -2.12,115 -2.17,116 -2.15,119 34.1,121 1,124 3,125 2,140 3,141 3,149 1,150 1,169 6,171 1,172 1,174 2,176 3,178 6,182 3,186 4,189 5,193 5,197 3,199 3,203 5,206 1,208 2,211 1,215 4,220 1,226 3,229 2,230 1,231 1,248 2,252 1,259 498,260 12.886,261 12.886,262 12.886,263 12.886,264 12.886,265 11.419,266 12.673,267 7.402,268 13.177,269 10.275,270 10.275,271 10.275,272 10.275,273 10.275,274 7.882,275 12.935,276 3.454,277 10.754,278 3.715,279 2.003,280 1.056,281 0.738,282 0.738,283 0.738,284 3.709,287 1,288 1,289 1,290 344,291 3.873,294 45.631,295 51.544,298 81.501,302 1.405,303 20.375,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 43.5,315 171,316 4.7,317 4.502,318 6.731,319 4.158,320 3.221,321 4.535,322 1.416,323 10.966,324 3.067,325 4.537,326 3.163,327 6.541,328 4.041,329 3.066,330 4.448,331 0.8,332 10.335,333 2.914,334 3.65,335 2.599,336 5.264,337 3.284,338 2.307,339 3.072,341 6.649,342 2.268,343 3.366,344 2.413,345 5.095,346 3.109,347 2.166,348 2.672,350 5.96,351 2.034,352 3.145,353 2.047,354 4.624,355 2.843,356 1.876,357 2.182,359 5.024,360 1.806,361 2.717,362 1.324,363 4.133,364 2.241,365 1.262,366 1.811,368 3.445,369 1.234,370 2.223,371 1.177,372 3.462,373 1.805,374 0.848,375 1.123,377 1.938,378 0.809,379 1.613,380 0.904,381 3.261,382 1.416,383 0.479,384 0.519,386 0.979,387 0.443,388 1.543,389 0.505,390 2.882,391 1.33,392 0.379,393 0.434,395 0.602,396 0.361,397 1.181,398 0.349,399 2.746,400 0.82,401 -0.136,402 -0.17,404 -0.365,405 -0.128,406 1,407 -0.215,408 2.325,409 0.201,410 -0.746,411 -0.886,413 -2,414 -0.686,415 0.632,416 -0.6,417 2,418 0.122,419 -0.855,420 -1,422 -2.103,423 -0.839,424 0.567,425 -0.607,426 2,428 -1,429 -1.249,431 -2.666,432 -0.9,433 0.13,434 -0.905,435 2,436 -0.1,437 -1,438 -1.447,440 -3,441 -1,443 -1,444 1.753,445 -0.207,446 -1.153,447 -1.68,449 -3.191,450 -1.079,451 9.7,452 0.485,453 0.676,454 0.034,455 23.5,456 1.175,457 11,458 0.55,459 12.5,460 0.625,461 15.897,462 0.795,463 23.3,464 0.568,465 16.749,466 0.837,467 4.617,468 0.231,469 4.793,470 0.24,471 0.223,472 0.086,473 0.247,479 0.585,480 1.586,481 0.911,482 1.388,483 0.674,484 1.111,485 0.795,486 0.884,487 1.041,488 0.905,489 0.517,490 0.831,491 1.119,492 1.185,493 1.178,494 1.21,495 1.149,496 1.223,497 0.925,498 0.999,499 0.893,500 0.956,501 0.949,502 0.994,503 0.872,504 0.876,505 0.758,506 0.808,507 0.862,508 0.848,509 0.897,510 1.357,511 0.936,512 1.179,513 0.864,514 1.244,515 0.699,516 1.075,517 1.071,518 1.151,519 0.639,520 1.06,521 1.474,522 0.876,523 1.103,524 0.908,525 1.529,526 0.971,527 6,528 0.033,529 2.444,530 1.354,531 0.973,532 0.594,533 0.665,534 0.341,535 0.146,536 0.12,537 3350,538 9246,539 1.927,540 51.2,542 16,543 1,545 2,547 2,550 1.619,551 1.752,552 3.079,553 0.41,554 1,555 1,557 1,559 67.363,560 1.643,561 3.355,562 4.302,563 4.619,564 4.619,565 4.619,566 2.504,567 4.022,568 4.289,569 3.231,570 613.852,571 7.336,572 6301.6,573 1,574 1,576 1,577 219.66,578 1.734,579 4.207,580 0.286,581 0.005,582 0.081,583 0.05,584 0.041,585 0.026,586 0.032,587 0.019,588 0.013,589 0.02,590 0.572,591 0.5,592 1,593 1.713,594 88.611,595 0.117,596 -0.24,597 0.252,598 -0.106,599 -0.154,600 0.002,601 0.19,602 0.294,603 0.015,604 0.162,605 0.299,606 0.169,607 -0.174,608 -0.102,609 -0.21,610 -0.14,611 -0.113,612 -0.187,613 -0.057,614 -0.069,615 0.003,616 -0.006,617 -0.024,618 -0.003,619 0.004,620 0.051,621 0.118,622 0.101,623 0.003,624 0.124,625 -0.061,626 -0.291,627 -0.054,628 -0.198,629 -0.071,630 -0.238,631 0.171,632 -0.101,633 -0.042,634 -0.161,635 0.127,636 -0.091,637 -0.236,638 0.01,639 -0.132,640 -0.013,641 -0.207,642 -0.053,643 4.148,644 4.617,645 0.45,646 16.08,647 1,648 1.136,649 0.894,650 0.8,651 0.645,652 3.091,653 3.434,654 3.584,655 3.807,656 3.989,657 4.078,658 4.234,659 4.304,660 4.043,661 3.989,662 5.188,663 0.596,664 295.45,665 3.091,666 4.635,667 5.451,668 6.337,669 7.182,670 8.072,671 8.931,672 9.824,673 10.691,674 11.585,675 7.3,677 1,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 41,716 12,717 1,718 21,720 42,721 14,722 8,723 3,724 3,730 2,731 3,743 1,745 8,746 6,750 2,753 1,755 2,760 1,761 1,764 21,765 4,766 2,767 6,768 1,773 3,777 0.5,778 2,788 1,792 1,793 1,796 1,815 1,819 1,821 1,823 3,827 20,830 1,833 3,834 1,838 1,847 4.9,850 2,854 11.417,855 8.033,856 4.389,857 2.229,858 2.237,859 1.35,860 0.969,861 4.605,862 8.632,863 3.367,864 4.03,865 4.484,866 5.095,867 5.594,868 5.959,869 6.414,870 6.779,871 6.603,872 6.731,873 0.833,874 27,875 7.557,877 3.271,878 7.854,879 14.27,881 11.635,883 2.354,884 47.083,885 0.001,888 223.651,889 85.101,890 36.315,892 44.313,894 5.807,895 79.293,896 267.964,897 36.315,898 25.189,899 5.54,900 59.689,901 44.313,902 28.854,903 13.915,904 211.88,906 223.651,907 115.608,908 44.313,909 5.807,911 200.109,912 67.855,915 41.855,916 73.754,917 5.807,919 223.651,920 80.628,921 85.101,923 5.807,924 223.651,925 16.628,926 65.79,927 33.191,928 44.313,929 223.651,930 80.628,931 85.101,933 0.588,934 0.31,935 0.147,936 0.085,937 14,938 7,939 0.143,940 6,941 1,942 1.222,943 3.136,944 142.875,945 0.222,946 9,947 82.439,950 1,951 15.199,952 6.06,953 3.906,954 2.153,955 63.842,956 7.759,958 3.232,961 2.023,963 33.191,964 389.38,965 28,968 -3.231,970 23.235,975 40.989,976 46.571,977 0.307,978 0.626,979 0.803,980 0.862,981 0.862,982 0.862,983 4.61,984 0.479,985 5.501,986 1.938,987 4.111,988 4.714,989 1.787,990 6.34,991 4.027,992 5.877,993 0.379,994 7.091,995 0.979,996 4.007,997 4.987,998 0.325,999 7.582,1000 3.858,1001 7.252,1002 -0.136,1003 8.787,1004 0.602,1005 5.808,1006 7.126,1007 2.252,1008 10.5,1009 5.633,1010 8.67,1011 -0.746,1012 10.545,1013 -0.365,1014 6.447,1015 8.156,1016 0.268,1017 12.48,1018 6.199,1019 10.12,1020 -0.855,1021 12.342,1022 -2,1023 7.818,1024 9.882,1025 2.857,1026 15.02,1027 7.542,1028 11.591,1029 -1,1030 14.165,1031 -2.103,1032 8.757,1033 11.198,1034 0.188,1035 17.256,1036 8.412,1037 13.079,1038 -1,1039 16.007,1040 -2.666,1041 9.984,1042 12.785,1043 3.513,1044 19.684,1045 9.603,1046 3.221,1047 -1.153,1048 17.861,1049 -3,1050 11.048,1051 14.213,1052 0.125,1053 22.01,1054 10.604,1055 3.066,1056 10.966,1057 19.726,1058 -3.191,1059 12.224,1060 15.75,1061 4.191,1062 24.403,1063 11.739,1064 2.307,1065 10.335,1066 21.597,1067 4.535,1068 13.34,1069 17.222,1070 0.082,1071 26.76,1072 12.797,1073 2.166,1074 6.649,1075 23.475,1076 4.448,1077 14.5,1078 18.739,1079 4.878,1080 29.142,1081 13.912,1082 1.876,1083 5.96,1084 25.356,1085 3.072,1086 15.637,1087 20.23,1088 0.054,1089 31.512,1090 14.996,1091 1.262,1092 5.024,1093 27.241,1094 2.672,1095 16.792,1096 21.739,1097 5.57,1098 33.891,1099 16.103,1100 0.848,1101 3.445,1102 29.129,1103 2.182,1104 17.939,1105 23.237,1106 0.035,1107 36.266,1108 17.198,1109 3525,1110 5988,1111 13.118,1112 26.426,1113 30.988,1114 32.339,1115 32.556,1116 31.227,1117 31.205,1118 41.594,1119 4.433,1120 91.798,1121 29.87,1122 5.533,1123 6.502,1124 6.114,1125 5.195,1126 5.221,1127 7.535,1128 2.833,1129 17.633,1130 5.067,1131 12.361,1132 1.476,1133 1.54,1134 1.55,1135 1.487,1136 1.486,1137 1.981,1138 0.211,1139 4.371,1140 1.422,1141 4.155,1142 4.18,1143 4.722,1144 4.095,1145 7.716,1146 4.077,1147 3.937,1148 3.908,1149 4.076,1150 3.888,1151 6.999,1152 3.77,1153 3.652,1154 3.736,1155 3.513,1156 3.463,1157 4.956,1158 3.457,1159 3.402,1160 3.465,1161 3.31,1162 3.243,1163 4.333,1164 3.239,1165 3.166,1166 3.261,1167 2.965,1168 2.957,1169 4.262,1170 2.946,1171 3.084,1172 3.164,1173 2.899,1174 2.849,1175 4.132,1176 2.819,1177 2.874,1178 3.009,1179 2.68,1180 2.731,1181 3.812,1182 2.706,1183 2.863,1184 2.929,1185 2.499,1186 2.618,1187 3.517,1188 2.57,1189 0.224,1190 0.214,1191 0.321,1192 0.198,1193 0.153,1194 4.7,1195 0.216,1196 4.502,1197 0.067,1198 6.731,1199 0.522,1200 4.158,1201 0.146,1202 3.221,1203 4.535,1204 1.416,1205 10.966,1206 3.067,1207 1.985,1208 1.976,1209 2.05,1210 2.056,1211 1.306,1212 2.082,1213 1.713,1214 1.716,1215 1.906,1216 1.905,1217 1.164,1218 1.922,1219 1.651,1220 1.61,1221 1.692,1222 1.834,1223 0.938,1224 1.868,1225 1.449,1226 1.367,1227 1.675,1228 1.688,1229 0.781,1230 1.694,1231 1.204,1232 1.111,1233 1.493,1234 1.458,1235 0.624,1236 1.497,1237 1.054,1238 0.969,1239 1.417,1240 1.312,1241 0.499,1242 1.356,1243 0.934,1244 0.816,1245 1.335,1246 1.239,1247 0.469,1248 1.308,1249 0.871,1250 0.804,1251 1.112,1252 1.051,1253 0.204,1254 1.084,1255 3.761,1257 5.094,1258 2.398,1259 6.597,1260 4.727,1261 8.178,1262 6.823,1263 9.805,1265 5.52,1271 1.916,1272 2.344,1276 2.133,1280 24.422,1281 67.363,1282 137.546,1283 176.375,1284 189.395,1285 189.395,1286 189.395,1287 40.429,1288 6.395,1289 65.2,1290 73.58,1291 11,1292 12.117,1293 3.7,1294 3,1295 36.381,1296 61,1297 59,1298 0.302,1299 158.073,1300 262.77,1301 377.458,1302 4097,1304 14.751,1305 0.738,1306 0.646,1307 15.001,1308 12.919,1309 9.41,1310 0.448,1311 0.391,1312 6.594,1313 8.216,1314 6.149,1315 5.194,1316 10.263,1317 8.212,1318 9.134,1319 0.304,1320 0.238,1321 10.494,1322 7.137,1323 6.584,1324 0.188,1325 0.133,1326 7.483,1327 4.663,1328 4.954,1329 0.113,1330 0.066,1331 5.51,1332 2.921,1333 3.957,1334 0.075,1335 0.039,1336 4.388,1337 2.049,1338 0.463,1339 67.76,1340 0.276,1341 19.838,1342 0.852,1343 102,1344 294.642,1345 144.038,1346 306.708,1347 406.14,1348 280,1349 116,1350 263.953,1351 164.385,1352 305.971,1353 433.93,1354 281,1355 8.357} {0 CHEMBL128699,1 1.39,2 15.444,3 5.409,4 29.253,5 148.973,6 6.577,7 0.425,8 4.378,9 4.511,10 3.854,11 3.899,12 5.331,13 3.855,14 4.972,15 5.183,16 4.218,17 4.311,18 5.844,19 4.251,20 5.222,21 5.43,22 4.328,23 4.535,24 6.123,25 4.438,26 5.374,27 5.617,28 4.27,29 4.599,30 6.182,31 4.46,32 5.418,33 5.669,34 4.195,35 4.574,36 6.244,37 4.412,38 5.425,39 5.727,40 4.071,41 4.448,42 6.147,43 4.274,44 5.158,45 5.426,46 3.981,47 4.276,48 5.965,49 4.141,50 5.053,51 5.3,52 3.956,53 4.195,54 5.979,55 4.065,56 0.064,57 1.078,58 17.507,59 6.985,60 9.75,61 9.988,62 0.359,63 1.795,64 33.231,65 10.982,66 25.084,67 16.493,68 0.57,69 2.232,70 42.631,71 15.379,72 45.608,73 22.262,74 0.364,75 2.426,76 49.347,77 18.835,78 40.966,79 27.131,80 0.501,81 2.44,82 51.993,83 19.574,84 59.434,85 28.153,86 0.541,87 2.311,88 53.173,89 18.5,90 54.66,91 27.436,92 0.387,93 1.866,94 40.533,95 13.934,96 38.777,97 20.487,98 0.399,99 1.675,100 36.3,101 13.279,102 47.906,103 18.974,104 26,105 57,106 0.215,107 0.465,108 0.641,109 0.744,110 0.805,111 0.805,112 3.615,113 0.981,114 -4.64,115 -4.56,116 -4.29,119 40.5,120 3,124 1,125 9,140 8,141 5,142 3,156 1,169 14,171 1,172 6,178 17,181 4,182 9,189 16,193 4,199 8,202 2,203 12,211 1,214 1,215 12,226 7,236 3,237 14,249 9,259 2388,260 24.239,261 24.239,262 24.239,263 24.239,264 24.239,265 22.018,266 32.741,267 14.048,268 24.775,269 19.714,270 19.714,271 19.714,272 19.714,273 19.714,274 16.277,275 45.529,276 6.651,277 20.556,278 4.819,279 3.209,280 2.075,281 1.41,282 1.014,283 1.014,284 4.321,289 1,290 1222,291 3.317,295 578.483,299 178.891,302 2.309,303 23.07,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 76,315 556,316 4.558,317 3.742,318 6.728,319 4.122,320 3.147,321 4.479,322 2.055,323 10.889,324 3.076,325 4.451,326 3.349,327 6.702,328 4.11,329 3.14,330 4.11,331 0.933,332 10.857,333 3.05,334 3.962,335 3.287,336 6.024,337 3.743,338 2.786,339 3.218,340 0.8,341 8.563,342 2.657,343 3.824,344 2.897,345 5.797,346 3.56,347 2.619,348 3.097,349 0.8,350 7.961,351 2.459,352 3.605,353 2.69,354 5.31,355 3.31,356 2.355,357 2.922,358 0.8,359 6.718,360 2.257,361 3.569,362 2.643,363 5.253,364 3.241,365 2.296,366 2.878,367 0.51,368 6.627,369 2.153,370 3.339,371 2.42,372 5.045,373 3.086,374 2.145,375 2.481,377 6.04,378 2.014,379 3.232,380 2.294,381 4.879,382 2.879,383 1.879,384 2.416,386 5.225,387 1.879,388 3.066,389 2.147,390 4.787,391 2.827,392 1.843,393 2.137,395 5.096,396 1.805,397 2.926,398 1.966,399 4.581,400 2.514,401 1.548,402 2.099,404 4.486,405 1.492,406 2.781,407 1.665,408 4.171,409 2.416,410 1.442,411 1.834,413 3.701,414 1.402,415 2.526,416 1.531,417 3.981,418 2.312,419 1.343,420 1.495,422 3.319,423 1.289,424 2.243,425 1.333,426 3.414,427 1.967,428 1,429 1.145,431 2.275,432 0.965,433 2,434 1.146,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 1.146,444 3.381,445 1.815,446 0.831,447 1,449 2.02,450 0.815,451 17.267,452 0.48,453 0.959,454 0.027,455 42.75,456 1.188,457 19,458 0.528,459 23.75,460 0.66,461 37.336,462 1.037,463 39.733,464 0.537,465 33.605,466 0.933,467 8.461,468 0.235,469 8.924,470 0.248,471 0.135,473 0.353,479 0.817,480 1.53,481 0.892,482 1.233,483 0.626,484 1.093,485 1.266,486 0.986,487 0.938,488 0.817,489 0.636,490 0.821,491 1.101,492 1.024,493 1.129,494 1.049,495 0.971,496 1.078,497 0.977,498 1.103,499 1.056,500 1.128,501 1.113,502 1.106,503 1.009,504 1.156,505 1.108,506 1.197,507 1.159,508 1.177,509 1.015,510 0.871,511 0.855,512 0.854,513 0.873,514 0.844,515 1.286,516 0.965,517 0.994,518 0.947,519 1.098,520 0.939,521 1.068,522 1.105,523 0.971,524 1.129,525 1.243,526 1.063,527 7.5,528 0.186,529 4.667,530 2.875,531 2.116,532 1.194,533 0.885,534 0.55,535 0.439,536 0.315,537 22336,538 44017,539 2.103,540 51.4,541 9,542 29,550 1.769,551 1.964,552 3.847,553 -0.827,559 102.872,560 1.39,561 3,562 4.134,563 4.8,564 5.196,565 5.196,566 3.319,567 4.559,568 5.144,569 4.055,570 2554.72,571 9.01,572 42544.8,577 459.5,578 1.426,579 5.099,580 0.188,581 0.006,582 0.082,583 0.047,584 0.038,585 0.024,586 0.02,587 0.013,588 0.011,589 0.009,590 0.438,591 0.33,592 0.75,593 0.539,594 199.866,595 0.045,596 -0.288,597 0.087,598 -0.11,599 -0.013,600 -0.026,601 -0.063,602 0.18,603 0.087,604 0.172,605 0.049,606 0.155,607 0.05,608 0.097,609 -0.121,610 -0.031,611 0.014,612 -0.082,613 -0.054,614 -0.093,615 -0.08,616 -0.103,617 -0.054,618 -0.095,619 0.028,620 -0.183,621 -0.124,622 -0.186,623 -0.054,624 -0.176,625 0.04,626 0.029,627 0.137,628 0.094,629 0.04,630 0.12,631 -0.078,632 0.011,633 0.015,634 0.017,635 -0.018,636 0.027,637 0.171,638 -0.138,639 0.033,640 -0.13,641 0.194,642 -0.075,643 1.612,644 5.971,645 0.778,646 43.259,647 0.988,648 1.128,649 3.409,650 11.622,651 0.647,652 3.714,653 4.06,654 4.344,655 4.615,656 4.852,657 4.927,658 5.037,659 5.153,660 5.226,661 5.283,662 8.826,663 0.601,664 486.72,665 3.714,666 5.273,667 6.133,668 7.02,669 7.893,670 8.783,671 9.661,672 10.552,673 11.433,674 12.325,675 5.4,678 1,681 2,682 1,687 2,688 8,693 6,695 17,709 2,712 1,714 74,716 18,717 3,718 40,720 78,721 30,722 16,723 8,724 8,730 5,731 6,736 3,745 17,746 13,750 1,755 1,759 1,764 38,765 6,767 6,773 4,777 0.8,778 2,793 5,797 1,806 1,815 1,819 4,823 4,827 36,833 9,835 1,838 4,847 2.7,850 1,852 1,854 18.333,855 14.55,856 7.778,857 4.608,858 3.336,859 1.39,860 0.99,861 7.518,862 11.899,863 3.922,864 4.511,865 5.07,866 5.632,867 6.171,868 6.433,869 6.735,870 7.093,871 7.419,872 7.445,873 1,874 61,875 13.398,877 5.637,878 7.472,879 26.546,881 22.225,883 1.972,884 71,888 447.302,889 162.284,890 12.497,892 36.145,895 162.284,896 483.447,897 12.497,898 34.872,899 24.562,900 75.81,901 29.85,902 45.832,904 447.302,906 447.302,907 174.781,908 36.145,911 447.302,912 36.145,915 54.162,916 120.619,919 447.302,920 48.642,921 162.284,924 447.302,925 51.602,926 123.179,928 36.145,929 447.302,930 48.642,931 162.284,933 0.59,934 0.347,935 0.189,936 0.102,937 28,938 13,939 0.064,940 5,941 1,942 1.071,943 4.685,944 345.18,945 0.071,946 28,947 172.117,951 25.069,952 10.796,953 5.564,954 2.382,955 48.642,956 17.111,961 7.225,964 658.228,965 49.5,970 12.971,974 0.055,975 73.083,976 83.47,977 0.224,978 0.483,979 0.666,980 0.773,981 0.837,982 0.837,983 5.189,984 1.879,985 6.129,986 6.04,987 4.745,988 5.198,989 2.581,990 6.952,991 4.668,992 6.384,993 1.843,994 7.698,995 5.225,996 4.369,997 5.066,998 1.865,999 7.877,1000 4.257,1001 7.692,1002 1.548,1003 9.364,1004 5.096,1005 6.354,1006 7.376,1007 3.36,1008 10.98,1009 6.204,1010 9.032,1011 1.442,1012 11.088,1013 4.486,1014 6.77,1015 8.064,1016 3.319,1017 12.744,1018 6.589,1019 10.404,1020 1.343,1021 12.85,1022 3.701,1023 8.239,1024 9.894,1025 4.565,1026 15.375,1027 8.026,1028 11.8,1029 1,1030 14.639,1031 3.319,1032 9.028,1033 10.982,1034 4.857,1035 17.496,1036 8.79,1037 13.215,1038 1,1039 16.45,1040 2.275,1041 10.29,1042 12.615,1043 5.902,1044 19.965,1045 10.024,1046 3.147,1047 0.831,1048 18.276,1049 2.275,1050 11.259,1051 13.903,1052 6.371,1053 22.238,1054 10.972,1055 3.14,1056 10.889,1057 20.115,1058 2.02,1059 12.437,1060 15.45,1061 7.287,1062 24.65,1063 12.124,1064 2.786,1065 10.857,1066 21.965,1067 4.479,1068 13.492,1069 16.838,1070 7.856,1071 26.987,1072 13.159,1073 2.619,1074 8.563,1075 23.824,1076 4.11,1077 14.639,1078 18.348,1079 8.696,1080 29.379,1081 14.282,1082 2.355,1083 7.961,1084 25.689,1085 3.218,1086 15.736,1087 19.784,1088 9.324,1089 31.743,1090 15.357,1091 2.296,1092 6.718,1093 27.561,1094 3.097,1095 16.872,1096 21.278,1097 10.117,1098 34.129,1099 16.471,1100 2.145,1101 6.627,1102 29.438,1103 2.922,1104 17.989,1105 22.739,1106 10.781,1107 36.505,1108 17.567,1109 20784,1110 29360,1111 26.759,1112 47.876,1113 60.408,1114 61.445,1115 62.373,1116 60.101,1117 60.106,1118 74.211,1119 11.797,1120 175.403,1121 57.815,1122 5.558,1123 5.742,1124 6.258,1125 5.2,1126 5.147,1127 7.479,1128 3.661,1129 18.043,1130 5.076,1131 18.739,1132 1.51,1133 1.536,1134 1.559,1135 1.503,1136 1.503,1137 1.855,1138 0.295,1139 4.385,1140 1.445,1141 4.11,1142 4.136,1143 4.065,1144 4.052,1145 7.427,1146 4.052,1147 4,1148 4.038,1149 3.942,1150 3.927,1151 4.937,1152 3.926,1153 3.795,1154 3.864,1155 3.7,1156 3.598,1157 4.733,1158 3.612,1159 3.778,1160 3.835,1161 3.669,1162 3.591,1163 4.555,1164 3.603,1165 3.526,1166 3.559,1167 3.433,1168 3.385,1169 4.358,1170 3.388,1171 3.369,1172 3.419,1173 3.273,1174 3.189,1175 4.269,1176 3.203,1177 3.266,1178 3.35,1179 3.068,1180 3.125,1181 4.065,1182 3.101,1183 3.241,1184 3.324,1185 3.067,1186 3.079,1187 3.966,1188 3.064,1189 0.114,1190 0.094,1191 0.168,1192 0.103,1193 0.079,1194 4.558,1195 0.112,1196 3.742,1197 0.051,1198 6.728,1199 0.272,1200 4.122,1201 0.077,1202 3.147,1203 4.479,1204 2.055,1205 10.889,1206 3.076,1207 2.074,1208 2.056,1209 2.15,1210 2.149,1211 1.349,1212 2.15,1213 1.974,1214 1.945,1215 2.091,1216 2.085,1217 1.327,1218 2.088,1219 1.748,1220 1.68,1221 1.959,1222 1.966,1223 1.216,1224 1.969,1225 1.727,1226 1.662,1227 1.927,1228 1.928,1229 1.171,1230 1.933,1231 1.485,1232 1.451,1233 1.658,1234 1.674,1235 0.825,1236 1.666,1237 1.33,1238 1.279,1239 1.639,1240 1.534,1241 0.825,1242 1.558,1243 1.303,1244 1.226,1245 1.628,1246 1.507,1247 0.768,1248 1.557,1249 1.257,1250 1.187,1251 1.544,1252 1.483,1253 0.719,1254 1.516,1255 4.394,1257 5.733,1259 7.27,1261 8.898,1263 10.572,1265 8.676,1271 7.39,1273 6.02,1276 9.17,1280 44.471,1281 102.872,1282 222.028,1283 305.951,1284 355.196,1285 384.48,1286 384.48,1287 56.574,1288 8.563,1289 39.26,1290 39.26,1291 30,1292 12.855,1293 4.248,1294 3.392,1295 54.85,1296 196,1297 176,1298 0.135,1299 270.397,1300 470.88,1301 651.528,1302 78422,1304 25.233,1305 0.701,1306 0.614,1307 25.233,1308 22.088,1309 17.385,1310 0.435,1311 0.327,1312 12.916,1313 16.78,1314 12.427,1315 10.309,1316 17.385,1317 13.085,1318 16.056,1319 0.282,1320 0.182,1321 16.056,1322 10.354,1323 13.543,1324 0.178,1325 0.1,1326 13.543,1327 7.621,1328 11.636,1329 0.116,1330 0.057,1331 11.636,1332 5.735,1333 9.205,1334 0.072,1335 0.03,1336 9.205,1337 3.833,1338 0.22,1339 108.218,1340 0.193,1341 33.489,1342 0.351,1343 194,1344 466.052,1345 208.75,1346 452.306,1347 631.62,1348 428,1349 230,1350 471.302,1351 246.915,1352 482.074,1353 706.72,1354 452,1355 8.721} {0 CHEMBL1287827,1 1.38,2 13.156,3 4.329,4 18.74,5 131.247,6 6.881,7 0.472,8 4.21,9 4.339,10 3.73,11 3.779,12 5.206,13 3.737,14 4.783,15 4.981,16 4.111,17 4.193,18 5.713,19 4.136,20 5.06,21 5.274,22 4.226,23 4.409,24 5.971,25 4.322,26 5.192,27 5.42,28 4.129,29 4.477,30 6.042,31 4.336,32 5.271,33 5.547,34 4.019,35 4.445,36 6.009,37 4.271,38 5.182,39 5.466,40 3.927,41 4.326,42 5.921,43 4.155,44 5.051,45 5.318,46 3.848,47 4.229,48 5.828,49 4.07,50 4.999,51 5.272,52 3.726,53 4.155,54 5.755,55 3.981,56 0.049,57 0.911,58 13.753,59 5.742,60 8.97,61 8.064,62 0.248,63 1.55,64 26.139,65 9.274,66 22.502,67 13.591,68 0.32,69 1.974,70 35.014,71 12.603,72 33.471,73 18.236,74 0.304,75 2.13,76 40.142,77 15.926,78 41.472,79 22.614,80 0.29,81 2.206,82 44.586,83 17.366,84 40.606,85 25.313,86 0.322,87 2.019,88 41.166,89 15.422,90 40.383,91 22.647,92 0.304,93 1.801,94 35.853,95 13.353,96 38.081,97 19.46,98 0.321,99 1.696,100 34.14,101 12.552,102 35.872,103 18.477,104 17,105 52,106 0.221,107 0.55,108 0.77,109 0.879,110 0.889,111 0.889,112 3.502,113 0.953,114 -4.48,115 -4.41,116 -4.15,119 43.5,120 2,121 1,124 1,125 4,127 1,134 2,140 8,141 3,142 2,144 2,156 1,169 11,171 1,172 12,178 13,181 1,182 10,189 11,192 1,193 9,199 11,203 7,211 6,214 1,215 8,222 5,225 1,226 5,233 6,236 1,237 3,244 6,248 1,249 4,256 9,259 1656,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.473,266 27.637,267 12.502,268 22.082,269 17.726,270 17.726,271 17.726,272 17.726,273 17.726,274 14.195,275 38.704,276 5.879,277 18.295,278 4.574,279 2.511,280 1.133,281 0.456,282 0.391,283 0.391,284 4.212,289 1,290 936,291 2.828,295 429.743,299 287.278,302 2.021,303 18.401,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 421,316 4.553,317 3.671,318 6.743,319 4.148,320 3.172,321 4.474,322 1.2,323 10.93,324 3.098,325 4.489,326 3.319,327 6.701,328 4.118,329 3.151,330 4.12,331 0.8,332 10.882,333 3.051,334 3.931,335 3.09,336 6.078,337 3.767,338 2.825,339 3.257,340 0.8,341 8.782,342 2.657,343 3.835,344 2.998,345 5.93,346 3.534,347 2.551,348 3.116,349 0.293,350 8.099,351 2.501,352 3.69,353 2.675,354 5.728,355 3.385,356 2.439,357 2.837,359 7.686,360 2.304,361 3.369,362 2.416,363 5.05,364 3.012,365 2.046,366 2.644,368 5.76,369 1.973,370 3.297,371 2.251,372 4.971,373 2.895,374 1.889,375 2.52,377 5.553,378 1.891,379 3.032,380 1.72,381 4.583,382 2.597,383 1.618,384 2.255,386 4.555,387 1.584,388 2.986,389 1.63,390 4.364,391 2.557,392 1.569,393 2.129,395 4.088,396 1.548,397 2.779,398 1.58,399 4.191,400 2.443,401 1.467,402 1.848,404 3.763,405 1.428,406 2.644,407 1.47,408 4.014,409 2.382,410 1.404,411 1.612,413 3.416,414 1.369,415 2.47,416 1.424,417 3.652,418 2.189,419 1.209,420 1.454,422 2.757,423 1.182,424 2.248,425 0.965,426 3.377,427 1.839,428 0.861,429 1.159,431 2.042,432 0.84,433 1.847,434 0.905,435 3.272,436 1.636,437 0.661,438 0.751,440 1.608,441 0.643,442 1.818,443 0.755,444 2.819,445 1.28,446 0.26,447 0.361,449 0.584,450 0.262,451 15.433,452 0.482,453 0.836,454 0.026,455 41,456 1.281,457 20,458 0.625,459 21,460 0.656,461 30.122,462 0.941,463 33.767,464 0.545,465 30.47,466 0.952,467 7.955,468 0.249,469 7.553,470 0.236,471 0.119,473 0.369,479 0.752,480 1.409,481 0.84,482 1.121,483 0.594,484 1.008,485 1.051,486 1.087,487 0.884,488 0.868,489 0.542,490 0.849,491 1.229,492 0.989,493 1.048,494 0.94,495 0.819,496 0.96,497 0.991,498 1.132,499 1.157,500 1.188,501 1.032,502 1.192,503 0.684,504 1.025,505 0.981,506 1.059,507 0.596,508 1.049,509 0.762,510 0.966,511 0.956,512 0.988,513 0.664,514 0.987,515 0.953,516 1.031,517 1.056,518 1.045,519 0.919,520 1.058,521 0.893,522 1.033,523 1.097,524 1.061,525 0.794,526 1.089,527 6,528 0.14,529 4.667,530 2.375,531 2.138,532 1.118,533 0.769,534 0.472,535 0.352,536 0.245,537 15626,538 34426,539 2.135,540 48.4,542 22,546 3,547 5,550 1.741,551 2,552 3.635,553 -0.836,559 85.571,560 1.38,561 3.444,562 4.821,563 5.498,564 5.563,565 5.563,566 3.046,567 4.75,568 4.975,569 3.826,570 1897.62,571 8.676,572 28007.5,574 1,577 369.16,578 1.406,579 4.933,580 0.167,581 0.006,582 0.09,583 0.042,584 0.044,585 0.026,586 0.02,587 0.013,588 0.011,589 0.009,590 0.427,591 0.33,592 0.88,593 0.531,594 169.278,595 0.046,596 -0.239,597 0.082,598 -0.073,599 -0.02,600 -0.009,601 0.022,602 0.054,603 0.092,604 0.103,605 0.092,606 0.107,607 -0.124,608 0.109,609 -0.067,610 0.031,611 0.016,612 -0.002,613 -0.081,614 -0.13,615 -0.196,616 -0.18,617 -0.075,618 -0.198,619 0.01,620 -0.086,621 -0.014,622 -0.063,623 0.01,624 -0.044,625 0.03,626 -0.019,627 0.025,628 -0.011,630 0.004,631 -0.039,632 -0.059,633 -0.073,634 -0.068,635 -0.084,636 -0.075,637 -0.016,638 -0.062,639 -0.115,640 -0.09,641 -0.068,642 -0.108,643 1.627,644 4.985,645 0.813,646 31.625,647 0.987,648 1.123,649 3.253,650 10.579,651 0.667,652 3.611,653 3.97,654 4.29,655 4.564,656 4.836,657 4.905,658 5.024,659 5.13,660 5.252,661 5.278,662 7.628,663 0.623,664 426.61,665 3.611,666 5.176,667 6.052,668 6.946,669 7.835,670 8.731,671 9.624,672 10.521,673 11.414,674 12.312,675 6.5,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,714 62,716 19,717 2,718 36,720 66,721 27,722 15,723 6,724 6,725 3,730 5,731 7,736 2,740 1,743 2,745 18,746 9,750 2,755 1,757 2,759 1,764 30,765 5,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 3,827 32,833 5,837 1,838 3,847 1.6,850 1,854 16,855 12.133,856 6.889,857 3.917,858 3.892,859 1.462,860 1.007,861 5.646,862 12.325,863 3.861,864 4.466,865 5.08,866 5.661,867 6.236,868 6.502,869 6.828,870 7.137,871 7.434,872 7.335,873 0.889,874 57,875 11.86,877 5.057,878 7.505,879 23.414,881 19.867,883 2.005,884 64.167,888 353.133,889 155.83,890 26.158,892 25.145,895 155.83,896 378.278,897 26.158,898 26.047,899 14.082,900 94.762,901 46.635,902 25.607,904 353.133,906 353.133,907 181.988,908 25.145,911 294.278,912 84,915 39.757,916 106.493,917 35.738,919 353.133,920 51.303,921 155.83,924 353.133,925 35.02,926 130.182,928 41.93,929 353.133,930 51.303,931 155.83,933 0.592,934 0.359,935 0.194,936 0.109,937 27,938 12,939 0.061,940 4,941 2,942 1.154,943 4.317,944 303.18,945 0.154,946 26,947 158,951 21.025,952 8.593,953 4.033,954 2.308,955 51.303,956 17.043,957 4.706,961 5.841,964 560.266,965 46.5,970 11.985,972 3.651,974 0.04,975 61.221,976 69.6,977 0.232,978 0.578,979 0.81,980 0.923,981 0.934,982 0.934,983 5.125,984 1.618,985 6.052,986 5.553,987 4.654,988 5.153,989 1.758,990 6.899,991 4.593,992 6.332,993 1.569,994 7.637,995 4.555,996 4.29,997 4.977,998 0.766,999 7.865,1000 4.184,1001 7.645,1002 1.467,1003 9.321,1004 4.088,1005 6.286,1006 7.354,1007 1.696,1008 10.986,1009 6.156,1010 8.992,1011 1.404,1012 11.064,1013 3.763,1014 6.735,1015 8.018,1016 0.931,1017 12.772,1018 6.56,1019 10.372,1020 1.209,1021 12.844,1022 3.416,1023 8.206,1024 9.883,1025 1.83,1026 15.416,1027 8.01,1028 11.776,1029 0.861,1030 14.649,1031 2.757,1032 9.028,1033 10.961,1034 1.142,1035 17.539,1036 8.792,1037 13.199,1038 0.661,1039 16.473,1040 2.042,1041 10.293,1042 12.61,1043 2.038,1044 20.017,1045 10.034,1046 3.172,1047 0.26,1048 18.31,1049 1.608,1050 11.287,1051 13.895,1052 1.436,1053 22.285,1054 10.995,1055 3.151,1056 10.93,1057 20.157,1058 0.584,1059 12.47,1060 15.448,1061 2.286,1062 24.703,1063 12.154,1064 2.825,1065 10.882,1066 22.014,1067 4.474,1068 13.542,1069 16.834,1070 1.783,1071 27.035,1072 13.197,1073 2.551,1074 8.782,1075 23.877,1076 4.12,1077 14.695,1078 18.345,1079 2.561,1080 29.432,1081 14.326,1082 2.439,1083 8.099,1084 25.745,1085 3.257,1086 15.804,1087 19.78,1088 2.156,1089 31.793,1090 15.407,1091 2.046,1092 7.686,1093 27.619,1094 3.116,1095 16.947,1096 21.274,1097 2.856,1098 34.183,1099 16.526,1100 1.889,1101 5.76,1102 29.496,1103 2.837,1104 18.073,1105 22.734,1106 2.541,1107 36.558,1108 17.626,1109 14426,1110 21541,1111 24.274,1112 41.375,1113 55.224,1114 55.64,1115 56.422,1116 54.312,1117 54.242,1118 69.07,1119 6.186,1120 161.009,1121 52.66,1122 5.553,1123 5.671,1124 6.272,1125 5.215,1126 5.172,1127 7.474,1128 2.293,1129 18.279,1130 5.098,1131 15.281,1132 1.534,1133 1.546,1134 1.567,1135 1.509,1136 1.507,1137 1.919,1138 0.172,1139 4.472,1140 1.463,1141 4.101,1142 4.136,1143 4.058,1144 4.02,1145 7.429,1146 4.026,1147 4.015,1148 4.043,1149 3.97,1150 3.945,1151 4.983,1152 3.947,1153 3.82,1154 3.886,1155 3.717,1156 3.645,1157 4.756,1158 3.653,1159 3.562,1160 3.61,1161 3.48,1162 3.427,1163 4.45,1164 3.428,1165 3.512,1166 3.561,1167 3.411,1168 3.397,1169 4.313,1170 3.398,1171 3.332,1172 3.399,1173 3.186,1174 3.199,1175 4.179,1176 3.186,1177 3.271,1178 3.36,1179 3.064,1180 3.103,1181 4,1182 3.08,1183 3.188,1184 3.28,1185 3.008,1186 2.985,1187 3.954,1188 2.979,1189 0.126,1190 0.102,1191 0.187,1192 0.115,1193 0.088,1194 4.553,1195 0.124,1196 3.671,1197 0.033,1198 6.743,1199 0.304,1200 4.148,1201 0.086,1202 3.172,1203 4.474,1204 1.2,1205 10.93,1206 3.098,1207 2.049,1208 2.022,1209 2.13,1210 2.149,1211 1.382,1212 2.146,1213 1.989,1214 1.965,1215 2.084,1216 2.084,1217 1.267,1218 2.085,1219 1.782,1220 1.717,1221 1.973,1222 1.978,1223 1.186,1224 1.98,1225 1.536,1226 1.49,1227 1.742,1228 1.713,1229 0.94,1230 1.722,1231 1.504,1232 1.461,1233 1.717,1234 1.657,1235 0.899,1236 1.681,1237 1.347,1238 1.283,1239 1.641,1240 1.529,1241 0.806,1242 1.573,1243 1.298,1244 1.214,1245 1.585,1246 1.508,1247 0.678,1248 1.538,1249 1.191,1250 1.096,1251 1.532,1252 1.433,1253 0.575,1254 1.471,1255 4.29,1257 5.638,1259 7.195,1261 8.848,1263 10.549,1265 6.217,1271 5.073,1275 0.469,1276 6.833,1280 38.649,1281 85.571,1282 213.502,1283 298.896,1284 340.896,1285 344.896,1286 344.896,1287 44.62,1288 8.433,1289 41.37,1290 41.37,1291 30,1292 12.836,1293 4.322,1294 3.524,1295 45.979,1296 150,1297 134,1298 0.15,1299 234.696,1300 407.55,1301 564.419,1302 64263,1304 22.242,1305 0.695,1306 0.596,1307 22.242,1308 19.083,1309 15.508,1310 0.431,1311 0.318,1312 11.324,1313 15.07,1314 10.937,1315 9.064,1316 15.508,1317 11.441,1318 14.257,1319 0.274,1320 0.172,1321 14.257,1322 8.958,1323 12.663,1324 0.176,1325 0.096,1326 12.663,1327 6.88,1328 10.574,1329 0.111,1330 0.053,1331 10.574,1332 5.014,1333 8.923,1334 0.071,1335 0.029,1336 8.923,1337 3.608,1338 0.24,1339 95.806,1340 0.203,1341 30.073,1342 0.398,1343 176,1344 412.316,1345 187.512,1346 408.401,1347 578.11,1348 386,1349 212,1350 441.904,1351 224.707,1352 451.95,1353 665.43,1354 427,1355 8.3} {0 CHEMBL1289047,1 1.394,2 13.194,3 4.232,4 17.908,5 126.973,6 6.993,7 0.486,8 4.166,9 4.294,10 3.698,11 3.743,12 5.172,13 3.704,14 4.73,15 4.922,16 4.072,17 4.156,18 5.691,19 4.098,20 5,21 5.214,22 4.154,23 4.353,24 5.909,25 4.263,26 5.101,27 5.331,28 4.06,29 4.4,30 5.922,31 4.258,32 5.181,33 5.454,34 3.971,35 4.358,36 5.937,37 4.192,38 5.106,39 5.391,40 3.858,41 4.232,42 5.854,43 4.07,44 4.957,45 5.223,46 3.747,47 4.124,48 5.74,49 3.966,50 4.898,51 5.168,52 3.581,53 4.023,54 5.685,55 3.843,56 0.048,57 0.869,58 12.852,59 5.408,60 7.78,61 7.519,62 0.221,63 1.469,64 24.314,65 8.936,66 23.171,67 12.889,68 0.306,69 1.856,70 32.664,71 11.962,72 32.531,73 17.11,74 0.225,75 1.958,76 36.151,77 14.807,78 30.021,79 21.052,80 0.26,81 2.037,82 40.735,83 15.755,84 37.89,85 22.932,86 0.349,87 1.902,88 38.488,89 13.634,90 37.303,91 20.154,92 0.289,93 1.642,94 32.679,95 12.009,96 33.263,97 17.435,98 0.311,99 1.499,100 31.104,101 11.553,102 39.053,103 16.673,104 10,105 50,106 0.225,107 0.558,108 0.735,109 0.852,110 0.857,111 0.857,112 3.472,113 0.946,114 -4.28,115 -4.22,116 -3.98,119 44.1,120 2,121 1,125 5,134 2,140 7,141 4,142 2,144 2,156 1,169 12,172 8,174 1,176 3,178 15,181 1,182 6,186 3,189 14,192 1,193 7,197 2,199 11,203 8,208 1,211 4,215 8,218 1,222 1,225 1,226 5,233 2,236 1,237 3,244 4,249 4,252 1,256 8,259 1506,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.819,266 26.297,267 12.302,268 21.486,269 17.274,270 17.274,271 17.274,272 17.274,273 17.274,274 13.633,275 35.771,276 5.839,277 17.776,278 4.488,279 2.421,280 1.328,281 0.602,282 0.568,283 0.568,284 4.184,288 1,289 1,290 913,291 2.739,295 414.049,299 277.78,302 1.917,303 17.798,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 409,316 4.551,317 3.511,318 6.695,319 4.129,320 3.142,321 4.474,322 1.058,323 10.856,324 3.113,325 4.498,326 3.281,327 6.676,328 4.108,329 3.133,330 4.194,331 0.8,332 10.749,333 3.046,334 3.857,335 3.195,336 5.807,337 3.585,338 2.648,339 3.249,340 0.8,341 8.002,342 2.485,343 3.807,344 2.87,345 5.667,346 3.468,347 2.479,348 3.129,350 7.484,351 2.441,352 3.531,353 2.64,354 5.32,355 3.297,356 2.355,357 2.735,359 6.859,360 2.215,361 3.379,362 2.414,363 4.961,364 3.009,365 2.042,366 2.62,368 5.733,369 1.996,370 3.329,371 2.254,372 4.932,373 2.978,374 1.964,375 2.496,377 5.576,378 1.954,379 3.154,380 1.925,381 4.622,382 2.759,383 1.767,384 2.358,386 4.764,387 1.75,388 3.028,389 1.652,390 4.559,391 2.576,392 1.599,393 2.243,395 4.492,396 1.561,397 2.781,398 1.481,399 4.039,400 2.406,401 1.424,402 1.848,404 3.475,405 1.394,406 2.546,407 1.348,408 3.8,409 2.115,410 1.132,411 1.406,413 2.85,414 1.111,415 2.257,416 1.146,417 3.414,418 1.967,419 1,420 1.159,422 2.275,423 0.965,424 2,425 0.899,426 3.37,427 1.817,428 0.838,429 1,431 2.005,432 0.819,433 1.885,434 0.782,435 3.21,436 1.615,437 0.633,438 0.77,440 1.499,441 0.62,442 1.472,443 0.739,444 2.809,445 1.124,446 0.135,447 0.158,449 0.318,450 0.132,451 14.933,452 0.482,453 0.763,454 0.025,455 40.25,456 1.298,457 20,458 0.645,459 20.25,460 0.653,461 27.889,462 0.9,463 32.467,464 0.55,465 28.922,466 0.933,467 7.867,468 0.254,469 7.213,470 0.233,471 0.089,473 0.355,479 0.779,480 1.328,481 0.831,482 1.067,483 0.588,484 0.969,485 0.964,486 1.098,487 0.884,488 0.903,489 0.505,490 0.877,491 1.202,492 0.977,493 1.072,494 0.949,495 0.885,496 0.981,497 0.688,498 1.153,499 1.088,500 1.213,501 0.629,502 1.195,503 0.687,504 1.073,505 0.969,506 1.076,507 0.601,508 1.054,509 0.944,510 0.937,511 1.01,512 0.95,513 0.721,514 0.973,515 1.001,516 1.011,517 1.088,518 1.056,519 0.908,520 1.074,521 1.061,522 1.071,523 1.125,524 1.103,525 1.276,526 1.125,527 6,528 0.161,529 4,530 2.063,531 1.987,532 0.972,533 0.746,534 0.328,535 0.221,536 0.219,537 14757,538 33153,539 2.16,540 47.5,541 3,542 19,545 1,546 3,547 2,550 1.732,551 2.044,552 3.622,553 -0.425,555 1,559 82.259,560 1.394,561 3.461,562 4.554,563 5.281,564 5.315,565 5.315,566 2.997,567 4.672,568 4.93,569 3.814,570 1773.71,571 8.58,572 25876.5,574 1,577 347.076,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.039,584 0.043,585 0.024,586 0.021,587 0.01,588 0.008,589 0.01,590 0.413,591 0.33,592 0.88,593 0.486,594 162.877,595 0.012,596 -0.168,597 0.072,598 -0.036,599 -0.019,600 0.013,601 0.032,602 0.026,603 0.072,604 0.073,605 0.125,606 0.078,607 -0.146,608 0.106,609 -0.102,610 0.022,611 -0.045,612 -0.024,613 0.002,614 -0.165,615 -0.145,616 -0.198,617 -0.001,618 -0.19,619 0.027,620 -0.133,621 0.003,622 -0.081,623 0.018,624 -0.049,625 -0.032,626 0.033,627 -0.012,628 0.006,629 -0.038,630 0.002,631 -0.051,632 -0.039,633 -0.099,634 -0.086,635 -0.057,636 -0.095,637 -0.021,638 -0.139,639 -0.129,640 -0.123,641 -0.122,642 -0.139,643 1.711,644 4.659,645 0.839,646 30.008,647 0.989,648 1.122,649 3.051,650 9.311,651 0.671,652 3.584,653 3.932,654 4.234,655 4.522,656 4.804,657 4.86,658 4.97,659 5.056,660 5.17,661 5.193,662 7.612,663 0.629,664 412.58,665 3.584,666 5.142,667 6.009,668 6.899,669 7.78,670 8.673,671 9.559,672 10.453,673 11.341,674 12.234,675 6.8,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,714 59,716 19,717 2,718 35,720 63,721 26,722 15,723 7,724 5,725 3,730 5,731 7,736 2,743 1,745 18,746 8,750 2,755 1,757 2,759 1,761 1,764 28,765 5,766 1,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,805 1,810 2,815 1,819 3,823 2,827 31,833 6,834 1,838 2,847 1.7,850 1,854 15.167,855 11.267,856 6.667,857 3.726,858 3.919,859 1.468,860 1.026,861 5.412,862 12.295,863 3.839,864 4.454,865 5.061,866 5.656,867 6.242,868 6.503,869 6.817,870 7.109,871 7.391,872 7.251,873 0.889,874 53,875 11.48,877 4.9,878 7.516,879 22.651,881 19.211,883 2.016,884 62.5,887 1,888 317.82,889 143.248,890 41.045,892 25.145,895 143.248,896 342.965,897 41.045,898 17.65,899 31.074,900 85.286,901 46.635,902 28.793,904 317.82,906 317.82,907 184.293,908 25.145,911 294.278,912 48.687,915 56.749,916 91.806,917 35.738,919 317.82,920 66.19,921 143.248,924 317.82,925 40.312,926 109.185,927 18.011,928 41.93,929 317.82,930 66.19,931 143.248,933 0.589,934 0.348,935 0.193,936 0.112,937 26,938 11,939 0.063,940 4,941 2,942 1.154,943 4.302,944 287.527,945 0.154,946 26,947 147.58,951 20.081,952 8.355,953 4.048,954 2.311,955 66.19,956 14.854,957 4.688,961 7.068,963 18.011,964 527.258,965 45.5,970 11.659,972 3.593,974 -0.044,975 58.338,976 66.185,977 0.237,978 0.588,979 0.774,980 0.898,981 0.903,982 0.903,983 5.095,984 1.767,985 5.999,986 5.576,987 4.615,988 5.142,989 1.641,990 6.825,991 4.561,992 6.303,993 1.599,994 7.566,995 4.764,996 4.205,997 4.987,998 0.57,999 7.751,1000 4.124,1001 7.616,1002 1.424,1003 9.231,1004 4.492,1005 6.225,1006 7.362,1007 1.488,1008 10.864,1009 6.117,1010 8.963,1011 1.132,1012 10.956,1013 3.475,1014 6.621,1015 8.045,1016 0.479,1017 12.634,1018 6.493,1019 10.343,1020 1,1021 12.719,1022 2.85,1023 8.112,1024 9.908,1025 1.47,1026 15.271,1027 7.959,1028 11.747,1029 0.838,1030 14.51,1031 2.275,1032 8.895,1033 11.001,1034 0.346,1035 17.395,1036 8.727,1037 13.17,1038 0.633,1039 16.322,1040 2.005,1041 10.17,1042 12.649,1043 1.501,1044 19.869,1045 9.98,1046 3.142,1047 0.135,1048 18.151,1049 1.499,1050 11.14,1051 13.945,1052 0.237,1053 22.141,1054 10.938,1055 3.133,1056 10.856,1057 19.992,1058 0.318,1059 12.326,1060 15.499,1061 1.556,1062 24.556,1063 12.106,1064 2.648,1065 10.749,1066 21.843,1067 4.474,1068 13.386,1069 16.892,1070 0.158,1071 26.89,1072 13.153,1073 2.479,1074 8.002,1075 23.703,1076 4.194,1077 14.539,1078 18.404,1079 1.626,1080 29.282,1081 14.29,1082 2.355,1083 7.484,1084 25.569,1085 3.249,1086 15.64,1087 19.843,1088 0.104,1089 31.642,1090 15.378,1091 2.042,1092 6.859,1093 27.441,1094 3.129,1095 16.781,1096 21.338,1097 1.706,1098 34.027,1099 16.504,1100 1.964,1101 5.733,1102 29.318,1103 2.735,1104 17.902,1105 22.8,1106 0.068,1107 36.398,1108 17.611,1109 13554,1110 20448,1111 23.868,1112 39.614,1113 53.15,1114 53.942,1115 54.146,1116 52.592,1117 52.582,1118 67.676,1119 5.317,1120 153.876,1121 51.203,1122 5.551,1123 5.511,1124 6.215,1125 5.197,1126 5.142,1127 7.474,1128 2.117,1129 18.031,1130 5.113,1131 13.169,1132 1.519,1133 1.541,1134 1.547,1135 1.503,1136 1.502,1137 1.934,1138 0.152,1139 4.396,1140 1.463,1141 4.099,1142 4.133,1143 4.056,1144 4.02,1145 7.43,1146 4.025,1147 4.019,1148 4.045,1149 3.975,1150 3.956,1151 4.983,1152 3.957,1153 3.791,1154 3.861,1155 3.683,1156 3.602,1157 4.759,1158 3.612,1159 3.568,1160 3.609,1161 3.49,1162 3.433,1163 4.441,1164 3.437,1165 3.511,1166 3.562,1167 3.408,1168 3.406,1169 4.287,1170 3.4,1171 3.337,1172 3.411,1173 3.184,1174 3.192,1175 4.2,1176 3.18,1177 3.111,1178 3.206,1179 2.962,1180 2.958,1181 3.983,1182 2.946,1183 3.097,1184 3.174,1185 2.892,1186 2.941,1187 3.902,1188 2.91,1189 0.13,1190 0.1,1191 0.191,1192 0.118,1193 0.09,1194 4.551,1195 0.128,1196 3.511,1197 0.03,1198 6.695,1199 0.31,1200 4.129,1201 0.089,1202 3.142,1203 4.474,1204 1.058,1205 10.856,1206 3.113,1207 2.048,1208 2.022,1209 2.129,1210 2.147,1211 1.369,1212 2.144,1213 1.998,1214 1.976,1215 2.093,1216 2.086,1217 1.282,1218 2.089,1219 1.748,1220 1.679,1221 1.947,1222 1.958,1223 1.175,1224 1.96,1225 1.537,1226 1.496,1227 1.737,1228 1.709,1229 0.917,1230 1.714,1231 1.511,1232 1.466,1233 1.704,1234 1.659,1235 0.825,1236 1.681,1237 1.35,1238 1.28,1239 1.635,1240 1.541,1241 0.804,1242 1.576,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.745,1248 1.429,1249 1.117,1250 1.045,1251 1.428,1252 1.321,1253 0.48,1254 1.362,1255 4.263,1257 5.602,1259 7.148,1261 8.789,1263 10.478,1265 4.203,1271 6.173,1272 2.956,1276 5.039,1280 37.122,1281 82.259,1282 204.227,1283 268.695,1284 311.566,1285 313.566,1286 313.566,1287 40.852,1288 8.376,1289 52.23,1290 52.23,1291 30,1292 12.762,1293 4.322,1294 3.524,1295 43.935,1296 146,1297 127,1298 0.147,1299 225.104,1300 390.25,1301 541.013,1302 60891,1304 21.372,1305 0.689,1306 0.587,1307 21.372,1308 18.189,1309 15.081,1310 0.431,1311 0.315,1312 10.93,1313 14.674,1314 10.598,1315 8.754,1316 15.081,1317 11.036,1318 13.856,1319 0.277,1320 0.17,1321 13.856,1322 8.52,1323 11.948,1324 0.176,1325 0.095,1326 11.948,1327 6.49,1328 10.195,1329 0.112,1330 0.052,1331 10.195,1332 4.737,1333 8.789,1334 0.073,1335 0.029,1336 8.789,1337 3.469,1338 0.237,1339 93.064,1340 0.205,1341 29.402,1342 0.389,1343 170,1344 403.004,1345 180.818,1346 400.032,1347 564.5,1348 378,1349 203,1350 428.636,1351 214.209,1352 438.513,1353 644.29,1354 415,1355 8.6} {0 CHEMBL1289048,1 1.38,2 13.281,3 4.438,4 19.693,5 131.87,6 6.881,7 0.472,8 4.21,9 4.339,10 3.73,11 3.779,12 5.205,13 3.737,14 4.783,15 4.983,16 4.107,17 4.193,18 5.711,19 4.135,20 5.039,21 5.248,22 4.222,23 4.409,24 5.959,25 4.322,26 5.174,27 5.397,28 4.127,29 4.474,30 6.032,31 4.333,32 5.257,33 5.531,34 4.022,35 4.432,36 6.002,37 4.26,38 5.172,39 5.457,40 3.91,41 4.3,42 5.903,43 4.134,44 5.034,45 5.299,46 3.793,47 4.197,48 5.808,49 4.03,50 5.015,51 5.307,52 3.641,53 4.094,54 5.752,55 3.908,56 0.049,57 0.911,58 13.753,59 5.742,60 8.375,61 8.064,62 0.254,63 1.545,64 26.18,65 9.274,66 21.868,67 13.589,68 0.299,69 1.936,70 34.094,71 12.606,72 31.824,73 18.106,74 0.277,75 2.094,76 39.211,77 15.916,78 39.333,79 22.481,80 0.275,81 2.185,82 43.879,83 17.079,84 39.616,85 24.91,86 0.36,87 2.016,88 40.963,89 14.661,90 36.598,91 21.729,92 0.292,93 1.765,94 35.175,95 13.082,96 34.665,97 19.057,98 0.365,99 1.655,100 35.451,101 12.781,102 41.586,103 18.746,104 17,105 52,106 0.221,107 0.539,108 0.737,109 0.848,110 0.853,111 0.853,112 3.502,113 0.953,114 -4.48,115 -4.41,116 -4.15,119 43.5,120 2,121 1,124 1,125 5,134 2,140 7,141 4,142 2,144 2,156 1,169 12,171 1,172 11,178 15,181 1,182 9,189 14,192 1,193 9,199 11,203 9,211 4,214 1,215 8,222 1,225 1,226 5,233 2,236 1,237 3,244 4,248 1,249 4,256 8,259 1634,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.42,266 26.913,267 12.482,268 22.089,269 17.715,270 17.715,271 17.715,272 17.715,273 17.715,274 14.104,275 35.777,276 5.875,277 18.284,278 4.574,279 2.581,280 1.341,281 0.649,282 0.617,283 0.617,284 4.212,289 1,290 944,291 2.828,295 428.747,299 287.712,302 1.934,303 17.901,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 425,316 4.551,317 3.675,318 6.821,319 4.2,320 3.218,321 4.474,322 1.2,323 11.215,324 3.162,325 4.549,326 3.281,327 6.695,328 4.108,329 3.139,330 4.225,331 0.8,332 10.856,333 3.046,334 3.962,335 3.195,336 6.151,337 3.678,338 2.705,339 3.276,340 0.8,341 8.747,342 2.632,343 3.855,344 2.871,345 5.807,346 3.572,347 2.629,348 3.249,349 0.293,350 8,351 2.467,352 3.531,353 2.646,354 5.343,355 3.302,356 2.365,357 2.735,359 6.884,360 2.217,361 3.379,362 2.533,363 5.295,364 3.011,365 2.042,366 2.623,368 6.11,369 2,370 3.33,371 2.255,372 4.961,373 2.984,374 1.978,375 2.5,377 5.732,378 1.955,379 3.215,380 1.996,381 4.742,382 2.811,383 1.818,384 2.413,386 4.922,387 1.801,388 3.03,389 1.663,390 4.56,391 2.579,392 1.602,393 2.245,395 4.496,396 1.564,397 2.788,398 1.549,399 4.05,400 2.415,401 1.431,402 1.853,404 3.489,405 1.405,406 2.649,407 1.464,408 3.999,409 2.252,410 1.275,411 1.596,413 3.227,414 1.242,415 2.259,416 1.156,417 3.414,418 1.967,419 1,420 1.17,422 2.275,423 0.965,424 2,425 1.146,426 3.395,427 1.847,428 0.868,429 1,431 2.051,432 0.848,433 1.955,434 0.899,435 3.331,436 1.712,437 0.731,438 0.854,440 1.761,441 0.715,442 1.835,443 0.764,444 2.932,445 1.326,446 0.309,447 0.416,449 0.714,450 0.311,451 15.433,452 0.482,453 0.836,454 0.026,455 41,456 1.281,457 20,458 0.625,459 21,460 0.656,461 29.988,462 0.937,463 33.767,464 0.545,465 30.387,466 0.95,467 8.032,468 0.251,469 7.476,470 0.234,471 0.119,473 0.369,479 0.752,480 1.409,481 0.84,482 1.121,483 0.585,484 1.008,485 1.065,486 1.03,487 0.875,488 0.828,489 0.538,490 0.819,491 1.176,492 0.994,493 1.047,494 0.963,495 0.83,496 0.979,497 0.932,498 1.166,499 1.155,500 1.226,501 1.045,502 1.22,503 0.674,504 1.082,505 0.98,506 1.09,507 0.603,508 1.068,509 0.924,510 0.942,511 1.006,512 0.957,513 0.694,514 0.977,515 0.967,516 1.087,517 1.118,518 1.126,519 0.908,520 1.134,521 1.061,522 0.939,523 1.022,524 0.952,525 1.169,526 0.983,527 6,528 0.174,529 4.667,530 2.375,531 2.218,532 1.146,533 0.746,534 0.391,535 0.27,536 0.229,537 15802,538 34646,539 2.135,540 48.4,541 3,542 22,546 3,547 2,550 1.74,551 2,552 3.637,553 -0.836,559 85.571,560 1.38,561 3.373,562 4.613,563 5.305,564 5.337,565 5.337,566 3.018,567 4.688,568 4.977,569 3.832,570 1900.46,571 8.673,572 28318.1,574 1,577 369.16,578 1.406,579 4.933,580 0.167,581 0.007,582 0.09,583 0.042,584 0.045,585 0.027,586 0.02,587 0.012,588 0.01,589 0.009,590 0.427,591 0.33,592 0.88,593 0.531,594 169.669,595 0.046,596 -0.239,597 0.082,598 -0.073,599 -0.015,600 -0.009,601 0.01,602 0.109,603 0.103,604 0.142,605 0.093,606 0.136,607 -0.115,608 0.102,609 -0.073,610 0.019,611 0.013,612 -0.013,613 -0.062,614 -0.168,615 -0.2,616 -0.207,617 -0.079,618 -0.218,619 0.025,620 -0.139,621 -0.013,622 -0.094,623 0.008,624 -0.064,625 -0.027,626 0.028,627 -0.013,628 0.001,629 -0.026,630 -0.002,631 -0.042,632 -0.113,633 -0.136,634 -0.151,635 -0.068,636 -0.153,637 -0.009,638 -0.016,639 -0.018,640 0.012,641 -0.076,642 -0.004,643 1.623,644 5.027,645 0.813,646 31.063,647 0.987,648 1.123,649 3.253,650 10.579,651 0.667,652 3.611,653 3.97,654 4.29,655 4.564,656 4.844,657 4.92,658 5.024,659 5.106,660 5.209,661 5.247,662 7.723,663 0.623,664 426.61,665 3.611,666 5.176,667 6.052,668 6.946,669 7.836,670 8.733,671 9.626,672 10.525,673 11.42,674 12.318,675 6.5,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,714 62,716 19,717 2,718 36,720 66,721 27,722 15,723 7,724 5,725 3,730 5,731 7,736 2,743 1,745 18,746 9,750 2,755 1,757 2,759 1,764 30,765 5,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 3,827 32,833 6,838 3,847 1.6,850 1,854 16,855 12.217,856 6.889,857 3.901,858 3.93,859 1.465,860 1.015,861 5.646,862 12.39,863 3.861,864 4.477,865 5.098,866 5.683,867 6.269,868 6.544,869 6.861,870 7.14,871 7.42,872 7.304,873 0.889,874 57,875 11.86,877 5.046,878 7.5,879 23.432,881 19.827,883 2,884 64,888 353.133,889 151.645,890 26.158,892 25.145,895 151.645,896 378.278,897 26.158,898 26.047,899 16.187,900 85.286,901 46.635,902 28.793,904 353.133,906 353.133,907 177.803,908 25.145,911 329.591,912 48.687,915 41.863,916 100.202,917 35.738,919 353.133,920 51.303,921 151.645,924 353.133,925 40.312,926 120.706,928 41.93,929 353.133,930 51.303,931 151.645,933 0.593,934 0.359,935 0.193,936 0.11,937 27,938 12,939 0.061,940 4,941 2,942 1.154,943 4.329,944 302.181,945 0.154,946 26,947 154,951 21.025,952 8.593,953 4.033,954 2.314,955 51.303,956 14.955,957 4.695,961 7.222,964 556.081,965 46.5,970 12.027,972 3.679,974 0.044,975 61.221,976 69.6,977 0.232,978 0.567,979 0.775,980 0.891,981 0.896,982 0.896,983 5.125,984 1.818,985 6.052,986 5.732,987 4.654,988 5.165,989 1.758,990 6.899,991 4.595,992 6.337,993 1.602,994 7.637,995 4.922,996 4.29,997 5.027,998 0.766,999 7.872,1000 4.193,1001 7.655,1002 1.431,1003 9.321,1004 4.496,1005 6.286,1006 7.387,1007 1.696,1008 10.995,1009 6.166,1010 9.008,1011 1.275,1012 11.065,1013 3.489,1014 6.735,1015 8.087,1016 0.931,1017 12.796,1018 6.582,1019 10.395,1020 1,1021 12.846,1022 3.227,1023 8.206,1024 9.937,1025 1.83,1026 15.449,1027 8.032,1028 11.805,1029 0.868,1030 14.653,1031 2.275,1032 9.029,1033 11.04,1034 1.142,1035 17.593,1036 8.83,1037 13.234,1038 0.731,1039 16.48,1040 2.051,1041 10.297,1042 12.681,1043 2.038,1044 20.085,1045 10.077,1046 3.218,1047 0.309,1048 18.322,1049 1.761,1050 11.296,1051 13.982,1052 1.436,1053 22.375,1054 11.055,1055 3.139,1056 11.215,1057 20.175,1058 0.714,1059 12.484,1060 15.532,1061 2.286,1062 24.809,1063 12.223,1064 2.705,1065 10.856,1066 22.038,1067 4.474,1068 13.564,1069 16.927,1070 1.783,1071 27.161,1072 13.285,1073 2.629,1074 8.747,1075 23.908,1076 4.225,1077 14.724,1078 18.437,1079 2.561,1080 29.575,1081 14.425,1082 2.365,1083 8,1084 25.785,1085 3.276,1086 15.842,1087 19.878,1088 2.156,1089 31.955,1090 15.525,1091 2.042,1092 6.884,1093 27.666,1094 3.249,1095 16.994,1096 21.372,1097 2.856,1098 34.361,1099 16.657,1100 1.978,1101 6.11,1102 29.552,1103 2.735,1104 18.13,1105 22.834,1106 2.541,1107 36.754,1108 17.775,1109 14588,1110 21726,1111 24.274,1112 41.375,1113 55.026,1114 55.703,1115 56.328,1116 54.279,1117 54.221,1118 69.257,1119 6.186,1120 160.96,1121 52.659,1122 5.551,1123 5.675,1124 6.341,1125 5.267,1126 5.218,1127 7.474,1128 2.293,1129 18.696,1130 5.162,1131 15.397,1132 1.528,1133 1.547,1134 1.565,1135 1.508,1136 1.506,1137 1.924,1138 0.172,1139 4.471,1140 1.463,1141 4.101,1142 4.135,1143 4.058,1144 4.022,1145 7.429,1146 4.026,1147 4.026,1148 4.053,1149 3.984,1150 3.961,1151 4.983,1152 3.963,1153 3.793,1154 3.863,1155 3.685,1156 3.603,1157 4.747,1158 3.613,1159 3.592,1160 3.636,1161 3.513,1162 3.448,1163 4.44,1164 3.455,1165 3.513,1166 3.565,1167 3.409,1168 3.409,1169 4.286,1170 3.402,1171 3.34,1172 3.412,1173 3.189,1174 3.197,1175 4.203,1176 3.185,1177 3.193,1178 3.282,1179 3.026,1180 3.002,1181 4.003,1182 2.995,1183 3.111,1184 3.206,1185 2.918,1186 2.945,1187 3.947,1188 2.927,1189 0.126,1190 0.102,1191 0.189,1192 0.117,1193 0.089,1194 4.551,1195 0.124,1196 3.675,1197 0.033,1198 6.821,1199 0.312,1200 4.2,1201 0.088,1202 3.218,1203 4.474,1204 1.2,1205 11.215,1206 3.162,1207 2.048,1208 2.022,1209 2.129,1210 2.147,1211 1.371,1212 2.144,1213 2.004,1214 1.981,1215 2.096,1216 2.093,1217 1.287,1218 2.094,1219 1.75,1220 1.68,1221 1.948,1222 1.96,1223 1.178,1224 1.962,1225 1.555,1226 1.513,1227 1.751,1228 1.739,1229 0.935,1230 1.744,1231 1.516,1232 1.469,1233 1.728,1234 1.661,1235 0.825,1236 1.686,1237 1.352,1238 1.284,1239 1.635,1240 1.541,1241 0.807,1242 1.577,1243 1.199,1244 1.11,1245 1.535,1246 1.433,1247 0.784,1248 1.471,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.595,1254 1.429,1255 4.29,1257 5.638,1259 7.195,1261 8.848,1263 10.55,1265 6.073,1271 6.188,1276 6.802,1280 38.649,1281 85.571,1282 209.131,1283 286.025,1284 328.896,1285 330.896,1286 330.896,1287 43.884,1288 8.46,1289 41.37,1290 41.37,1291 30,1292 12.842,1293 4.322,1294 3.524,1295 46.024,1296 153,1297 136,1298 0.147,1299 234.696,1300 407.55,1301 564.419,1302 67085,1304 22.242,1305 0.695,1306 0.598,1307 22.242,1308 19.136,1309 15.508,1310 0.431,1311 0.318,1312 11.311,1313 15.066,1314 10.916,1315 9.039,1316 15.508,1317 11.43,1318 14.255,1319 0.274,1320 0.171,1321 14.255,1322 8.9,1323 12.685,1324 0.176,1325 0.096,1326 12.685,1327 6.892,1328 10.509,1329 0.111,1330 0.052,1331 10.509,1332 4.955,1333 8.936,1334 0.071,1335 0.029,1336 8.936,1337 3.6,1338 0.237,1339 95.843,1340 0.203,1341 30.125,1342 0.389,1343 176,1344 414.316,1345 187.179,1346 410.381,1347 580.62,1348 388,1349 212,1350 442.552,1351 224.374,1352 453.396,1353 667.65,1354 428,1355 8.699} {0 CHEMBL1289163,1 1.5,2 13.281,3 4.157,4 17.281,5 127.045,6 7.298,7 0.472,8 4.174,9 4.298,10 3.738,11 3.736,12 5.227,13 3.709,14 4.743,15 4.934,16 4.122,17 4.148,18 5.756,19 4.108,20 5.014,21 5.222,22 4.24,23 4.351,24 6.024,25 4.285,26 5.125,27 5.343,28 4.144,29 4.394,30 6.102,31 4.28,32 5.183,33 5.448,34 4.045,35 4.344,36 6.073,37 4.199,38 5.082,39 5.353,40 3.939,41 4.202,42 5.954,43 4.066,44 4.97,45 5.234,46 3.821,47 4.061,48 6.021,49 3.938,50 4.828,51 5.093,52 3.638,53 3.964,54 5.703,55 3.819,56 0.01,57 0.943,58 12.166,59 5.429,60 6.06,61 7.238,62 0.222,63 1.579,64 24.04,65 8.737,66 20.404,67 12.185,68 0.304,69 2.013,70 32.571,71 12.043,72 35.405,73 16.401,74 0.314,75 2.16,76 37.186,77 14.846,78 54.399,79 19.838,80 0.462,81 2.203,82 41.611,83 15.56,84 58.579,85 21.942,86 0.32,87 1.975,88 37.769,89 13.651,90 45.514,91 19.259,92 0.602,93 1.853,94 34.859,95 11.797,96 98.77,97 15.815,98 0.442,99 1.536,100 29.54,101 10.363,102 49.621,103 14.532,104 17,105 52,106 0.242,107 0.569,108 0.751,109 0.852,110 0.857,111 0.857,112 3.502,113 0.927,114 -4.65,115 -4.57,116 -4.3,119 44.1,120 1,121 1,124 1,125 5,134 2,140 7,141 3,142 3,144 2,156 1,169 9,171 1,172 11,178 10,181 1,182 9,189 10,192 1,193 7,199 9,203 7,211 3,214 1,215 7,222 1,225 1,226 3,233 2,236 1,237 2,244 4,248 1,249 4,256 6,259 1634,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.42,266 26.332,267 12.482,268 22.14,269 17.715,270 17.715,271 17.715,272 17.715,273 17.715,274 14.104,275 35.067,276 5.875,277 18.392,278 4.383,279 2.353,280 1.227,281 0.602,282 0.568,283 0.568,284 4.212,288 1,289 1,290 944,291 2.828,295 428.747,299 287.712,302 1.934,303 29.225,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68.5,315 425,316 4.551,317 3.678,318 6.821,319 4.193,320 3.218,321 4.474,322 1.2,323 11.215,324 3.137,325 4.549,326 3.295,327 6.695,328 4.108,329 3.139,330 4.225,331 0.8,332 10.856,333 3.046,334 3.962,335 3.273,336 6.151,337 3.665,338 2.705,339 3.276,340 0.8,341 8.747,342 2.594,343 3.855,344 2.873,345 5.807,346 3.57,347 2.629,348 3.249,349 0.293,350 8,351 2.464,352 3.531,353 2.655,354 5.343,355 3.301,356 2.365,357 2.735,359 6.884,360 2.216,361 3.379,362 2.632,363 5.295,364 3.009,365 2.042,366 2.623,368 6.11,369 1.975,370 3.33,371 2.261,372 4.961,373 2.961,374 1.978,375 2.5,377 5.732,378 1.924,379 3.215,380 2.141,381 4.742,382 2.798,383 1.818,384 2.413,386 4.922,387 1.767,388 3.03,389 1.664,390 4.56,391 2.579,392 1.602,393 2.245,395 4.496,396 1.563,397 2.788,398 1.561,399 4.05,400 2.414,401 1.431,402 1.853,404 3.489,405 1.403,406 2.649,407 1.465,408 3.999,409 2.248,410 1.275,411 1.596,413 3.227,414 1.236,415 2.259,416 1.212,417 3.414,418 1.967,419 1,420 1.17,422 2.275,423 0.965,424 2,425 1.146,426 3.395,427 1.845,428 0.868,429 1,431 2.051,432 0.845,433 1.955,434 0.899,435 3.331,436 1.698,437 0.731,438 0.854,440 1.761,441 0.702,442 1.835,443 0.779,444 2.932,445 1.317,446 0.309,447 0.416,449 0.714,450 0.306,451 15.219,452 0.476,453 0.836,454 0.026,455 41.25,456 1.289,457 20,458 0.625,459 21.25,460 0.664,461 28.787,462 0.9,463 33.981,464 0.576,465 31.588,466 0.987,467 8.195,468 0.256,469 7.313,470 0.229,471 0.106,473 0.375,477 1,479 0.623,480 1.267,481 0.763,482 1.106,483 0.508,484 0.983,485 0.839,486 1.003,487 0.839,488 0.856,489 0.512,490 0.832,491 1.023,492 0.983,493 0.996,494 0.948,495 0.807,496 0.952,497 1.029,498 1.139,499 1.144,500 1.2,501 1.085,502 1.2,503 0.759,504 0.966,505 0.99,506 1.062,507 0.801,508 1.066,509 0.857,510 1.056,511 0.973,512 1.055,513 0.805,514 1.035,515 1.449,516 1.111,517 1.177,518 0.981,519 1.448,520 1.024,521 1.033,522 0.932,523 1.136,524 1.002,525 1.049,526 1.069,527 6,528 0.174,529 4.667,530 2.375,531 2.218,532 1.146,533 0.746,534 0.391,535 0.27,536 0.229,537 15802,538 38990,539 2.135,540 45.8,542 22,546 3,547 2,550 1.74,551 2,552 3.637,553 -0.805,555 1,559 88.483,560 1.5,561 3.529,562 4.656,563 5.281,564 5.315,565 5.315,566 3.018,567 4.688,568 4.977,569 3.832,570 1900.46,571 8.673,572 28318.1,574 1,577 347.076,578 1.406,579 4.933,580 0.167,581 0.007,582 0.09,583 0.042,584 0.045,585 0.027,586 0.02,587 0.012,588 0.01,589 0.009,590 0.427,591 0.33,592 0.88,593 0.531,594 169.669,595 0.005,596 -0.206,597 0.071,598 -0.077,599 -0.015,600 -0.011,601 -0.023,602 0.028,603 0.077,604 0.103,605 0.056,606 0.109,607 -0.098,608 0.05,609 -0.054,610 0.023,611 -0.002,612 0.003,613 -0.082,614 -0.132,615 -0.193,616 -0.188,617 -0.08,618 -0.208,619 0.079,620 -0.021,621 -0.009,622 -0.068,623 0.002,624 -0.058,625 0.01,626 -0.122,627 0.02,628 -0.082,629 -0.006,630 -0.04,631 -0.035,632 0.047,633 -0.12,634 -0.01,635 -0.005,636 -0.063,637 -0.012,638 0.065,639 -0.131,640 -0.031,641 -0.085,642 -0.088,643 1.867,644 6.646,645 0.813,646 31.063,647 0.997,648 1.128,649 3.42,650 11.699,651 0.67,652 3.611,653 3.97,654 4.29,655 4.564,656 4.844,657 4.92,658 5.024,659 5.106,660 5.209,661 5.247,662 7.723,663 0.636,664 430.57,665 3.611,666 5.176,667 6.052,668 6.946,669 7.836,670 8.733,671 9.626,672 10.525,673 11.42,674 12.318,675 6.8,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,713 1,714 59,716 19,717 2,718 36,720 63,721 26,722 15,723 7,724 5,725 3,730 5,731 7,736 1,743 1,745 18,746 8,750 2,755 1,757 2,759 1,761 1,762 1,764 27,765 6,767 6,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 2,825 1,827 32,833 6,838 3,846 1,847 1.7,850 1,854 16,855 11.36,856 6.889,857 3.687,858 3.93,859 1.465,860 1.021,861 5.604,862 12.39,863 3.861,864 4.477,865 5.098,866 5.683,867 6.269,868 6.544,869 6.861,870 7.14,871 7.42,872 7.304,873 0.889,874 57,875 11.91,877 5.169,878 7.688,879 23.079,881 19.553,883 2.188,884 70,887 1,888 317.82,889 148.755,890 26.158,892 25.145,893 14.96,895 148.755,896 342.965,897 41.119,898 17.222,899 16.187,900 85.286,901 46.635,902 34.728,903 14.96,904 317.82,906 317.82,907 174.913,908 40.105,911 309.238,912 48.687,915 33.038,916 106.138,917 35.738,919 332.78,920 51.303,921 148.755,924 317.82,925 46.247,926 111.881,928 56.891,929 317.82,930 66.264,931 148.755,933 0.593,934 0.359,935 0.193,936 0.11,937 27,938 12,939 0.063,940 4,941 2,942 1.154,943 4.329,944 302.181,945 0.154,946 26,947 154,951 20.964,952 8.555,953 4.011,954 2.223,955 66.264,956 13.71,957 4.66,961 4.35,964 532.838,965 46.5,970 11.933,972 3.273,974 -0.079,975 58.85,976 66.525,977 0.255,978 0.6,979 0.791,980 0.898,981 0.903,982 0.903,983 5.125,984 1.818,985 6.052,986 5.732,987 4.654,988 5.165,989 1.758,990 6.899,991 4.583,992 6.337,993 1.602,994 7.637,995 4.922,996 4.29,997 5.027,998 0.766,999 7.872,1000 4.165,1001 7.655,1002 1.431,1003 9.321,1004 4.496,1005 6.286,1006 7.387,1007 1.696,1008 10.995,1009 6.145,1010 9.008,1011 1.275,1012 11.065,1013 3.489,1014 6.735,1015 8.087,1016 0.931,1017 12.796,1018 6.546,1019 10.395,1020 1,1021 12.846,1022 3.227,1023 8.206,1024 9.937,1025 1.83,1026 15.449,1027 8.001,1028 11.805,1029 0.868,1030 14.653,1031 2.275,1032 9.029,1033 11.04,1034 1.142,1035 17.593,1036 8.788,1037 13.234,1038 0.731,1039 16.48,1040 2.051,1041 10.297,1042 12.681,1043 2.038,1044 20.085,1045 10.036,1046 3.218,1047 0.309,1048 18.322,1049 1.761,1050 11.296,1051 13.982,1052 1.436,1053 22.375,1054 11.005,1055 3.139,1056 11.215,1057 20.175,1058 0.714,1059 12.484,1060 15.532,1061 2.286,1062 24.809,1063 12.172,1064 2.705,1065 10.856,1066 22.038,1067 4.474,1068 13.564,1069 16.927,1070 1.783,1071 27.161,1072 13.226,1073 2.629,1074 8.747,1075 23.908,1076 4.225,1077 14.724,1078 18.437,1079 2.561,1080 29.575,1081 14.364,1082 2.365,1083 8,1084 25.785,1085 3.276,1086 15.842,1087 19.878,1088 2.156,1089 31.955,1090 15.457,1091 2.042,1092 6.884,1093 27.666,1094 3.249,1095 16.994,1096 21.372,1097 2.856,1098 34.361,1099 16.585,1100 1.978,1101 6.11,1102 29.552,1103 2.735,1104 18.13,1105 22.834,1106 2.541,1107 36.754,1108 17.697,1109 14588,1110 23064,1111 24.274,1112 39.552,1113 55.026,1114 56.148,1115 56.328,1116 54.347,1117 54.221,1118 69.257,1119 6.186,1120 160.96,1121 52.286,1122 5.551,1123 5.678,1124 6.341,1125 5.261,1126 5.218,1127 7.474,1128 2.293,1129 18.696,1130 5.137,1131 15.397,1132 1.528,1133 1.56,1134 1.565,1135 1.51,1136 1.506,1137 1.924,1138 0.172,1139 4.471,1140 1.452,1141 4.099,1142 4.133,1143 4.057,1144 4.019,1145 8.201,1146 4.024,1147 4.02,1148 4.046,1149 3.985,1150 3.944,1151 7.429,1152 3.95,1153 3.792,1154 3.863,1155 3.684,1156 3.603,1157 4.983,1158 3.613,1159 3.57,1160 3.614,1161 3.506,1162 3.426,1163 4.675,1164 3.43,1165 3.508,1166 3.557,1167 3.408,1168 3.389,1169 4.44,1170 3.392,1171 3.331,1172 3.397,1173 3.188,1174 3.193,1175 4.286,1176 3.181,1177 3.189,1178 3.281,1179 3.023,1180 2.986,1181 4.102,1182 2.982,1183 3.111,1184 3.206,1185 2.915,1186 2.941,1187 3.993,1188 2.923,1189 0.126,1190 0.102,1191 0.189,1192 0.116,1193 0.089,1194 4.551,1195 0.124,1196 3.678,1197 0.033,1198 6.821,1199 0.312,1200 4.193,1201 0.087,1202 3.218,1203 4.474,1204 1.2,1205 11.215,1206 3.137,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.363,1212 2.144,1213 1.983,1214 1.961,1215 2.067,1216 2.085,1217 1.263,1218 2.08,1219 1.749,1220 1.68,1221 1.945,1222 1.96,1223 1.17,1224 1.961,1225 1.534,1226 1.488,1227 1.741,1228 1.714,1229 0.934,1230 1.718,1231 1.491,1232 1.45,1233 1.696,1234 1.65,1235 0.825,1236 1.669,1237 1.337,1238 1.275,1239 1.571,1240 1.515,1241 0.805,1242 1.537,1243 1.191,1244 1.096,1245 1.53,1246 1.433,1247 0.661,1248 1.471,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.569,1254 1.429,1255 4.29,1257 5.638,1259 7.195,1261 8.848,1263 10.55,1265 3.749,1267 14.646,1271 5.141,1276 6.395,1280 37.505,1281 88.483,1282 208.227,1283 274.695,1284 311.566,1285 313.566,1286 313.566,1287 54.06,1288 8.46,1289 41.37,1290 41.37,1291 30,1292 12.842,1293 4.322,1294 3.524,1295 46.024,1296 153,1297 136,1298 0.147,1299 226.302,1300 396.32,1301 543.937,1302 67085,1303 1.7,1304 22.242,1305 0.695,1306 0.579,1307 21.372,1308 18.514,1309 15.508,1310 0.431,1311 0.309,1312 10.975,1313 14.954,1314 10.671,1315 8.787,1316 15.097,1317 11.119,1318 14.255,1319 0.274,1320 0.165,1321 13.728,1322 8.564,1323 12.685,1324 0.176,1325 0.092,1326 12.204,1327 6.601,1328 10.509,1329 0.111,1330 0.05,1331 10.182,1332 4.742,1333 8.936,1334 0.071,1335 0.027,1336 8.702,1337 3.451,1338 0.237,1339 96.709,1340 0.203,1341 30.125,1342 0.389,1343 176,1344 500.427,1345 191.01,1346 463.764,1347 639.54,1348 436,1349 212,1350 475.885,1351 227.866,1352 478.516,1353 706.11,1354 452,1355 9.4} {0 CHEMBL1289164,1 1.5,2 13.281,3 4.616,4 21.307,5 131.634,6 7.577,7 0.472,8 4.171,9 4.293,10 3.77,11 3.758,12 5.191,13 3.72,14 4.74,15 4.928,16 4.165,17 4.176,18 5.71,19 4.122,20 5.009,21 5.213,22 4.3,23 4.39,24 5.964,25 4.305,26 5.119,27 5.33,28 4.213,29 4.44,30 6.029,31 4.303,32 5.177,33 5.435,34 4.127,35 4.384,36 5.988,37 4.221,38 5.076,39 5.343,40 4.042,41 4.261,42 5.873,43 4.098,44 4.957,45 5.209,46 3.932,47 4.139,48 5.846,49 3.976,50 4.82,51 5.078,52 3.691,53 4.001,54 5.622,55 3.836,56 0.023,57 0.859,58 11.874,59 5.313,60 6.902,61 7.222,62 0.231,63 1.466,64 24.208,65 8.77,66 20.521,67 12.296,68 0.3,69 1.831,70 33.967,71 12.214,72 32.09,73 16.822,74 0.291,75 1.922,76 40.222,77 15.203,78 43.527,79 20.66,80 0.373,81 1.97,82 45.799,83 16.103,84 44.748,85 22.725,86 0.311,87 1.794,88 40.567,89 14.254,90 37.461,91 20.094,92 0.464,93 1.544,94 42.039,95 12.653,96 55.743,97 17.32,98 0.368,99 1.38,100 33.243,101 10.828,102 35.512,103 15.24,104 17,105 52,106 0.242,107 0.569,108 0.751,109 0.852,110 0.857,111 0.857,112 3.502,113 0.958,114 -4.75,115 -4.66,116 -4.38,119 44.1,120 1,121 1,124 1,125 5,134 2,140 7,141 3,142 3,144 2,156 1,169 9,171 1,172 11,178 12,181 1,182 9,189 13,192 1,193 7,199 10,203 9,211 4,214 1,215 7,222 1,225 1,226 4,233 2,236 1,237 3,244 4,248 1,249 4,256 6,259 1634,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.42,266 26.312,267 12.482,268 22.199,269 17.715,270 17.715,271 17.715,272 17.715,273 17.715,274 14.104,275 35.043,276 5.875,277 18.518,278 4.383,279 2.353,280 1.227,281 0.602,282 0.568,283 0.568,284 4.212,285 1,289 1,290 944,291 2.828,295 428.747,299 287.712,302 1.934,303 21.615,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.333,315 425,316 4.551,317 3.678,318 6.821,319 4.188,320 3.218,321 4.474,322 1.2,323 11.215,324 3.118,325 4.549,326 3.302,327 6.695,328 4.108,329 3.139,330 4.225,331 0.8,332 10.856,333 3.046,334 3.962,335 3.275,336 6.151,337 3.654,338 2.705,339 3.276,340 0.8,341 8.747,342 2.561,343 3.855,344 2.874,345 5.807,346 3.568,347 2.629,348 3.249,349 0.293,350 8,351 2.462,352 3.531,353 2.66,354 5.343,355 3.301,356 2.365,357 2.735,359 6.884,360 2.215,361 3.379,362 2.636,363 5.295,364 3.008,365 2.042,366 2.623,368 6.11,369 1.97,370 3.33,371 2.262,372 4.961,373 2.943,374 1.978,375 2.5,377 5.732,378 1.89,379 3.215,380 2.148,381 4.742,382 2.783,383 1.818,384 2.413,386 4.922,387 1.695,388 3.03,389 1.665,390 4.56,391 2.579,392 1.602,393 2.245,395 4.496,396 1.563,397 2.788,398 1.562,399 4.05,400 2.413,401 1.431,402 1.853,404 3.489,405 1.4,406 2.649,407 1.465,408 3.999,409 2.244,410 1.275,411 1.596,413 3.227,414 1.225,415 2.259,416 1.216,417 3.414,418 1.967,419 1,420 1.17,422 2.275,423 0.965,424 2,425 1.146,426 3.395,427 1.843,428 0.868,429 1,431 2.051,432 0.841,433 1.955,434 0.899,435 3.331,436 1.687,437 0.731,438 0.854,440 1.761,441 0.68,442 1.835,443 0.78,444 2.932,445 1.311,446 0.309,447 0.416,449 0.714,450 0.297,451 15.648,452 0.489,453 0.836,454 0.026,455 41.25,456 1.289,457 20,458 0.625,459 21.25,460 0.664,461 29.857,462 0.933,463 33.552,464 0.569,465 30.518,466 0.954,467 8.064,468 0.252,469 7.444,470 0.233,471 0.131,473 0.364,479 0.686,480 1.406,481 0.664,482 1.034,483 0.545,484 0.949,485 0.961,486 1.054,487 0.733,488 0.789,489 0.527,490 0.801,491 1.104,492 0.97,493 0.927,494 0.898,495 0.814,496 0.931,497 1.001,498 1.141,499 1.13,500 1.19,501 1.079,502 1.196,503 0.711,504 1.049,505 0.986,506 1.095,507 0.671,508 1.073,509 0.838,510 1.016,511 0.927,512 0.99,513 0.735,514 1.008,515 1.22,516 0.972,517 1.455,518 1.131,519 1.061,520 1.097,521 0.973,522 1.005,523 1.196,524 1.105,525 0.896,526 1.11,527 6,528 0.174,529 4.667,530 2.375,531 2.218,532 1.146,533 0.746,534 0.391,535 0.27,536 0.229,537 15802,538 38990,539 2.135,540 45.8,542 22,546 3,547 2,550 1.74,551 2,552 3.637,553 -0.805,559 88.483,560 1.5,561 3.529,562 4.656,563 5.281,564 5.315,565 5.315,566 3.018,567 4.688,568 4.977,569 3.832,570 1900.46,571 8.673,572 28318.1,574 1,577 347.076,578 1.406,579 4.933,580 0.167,581 0.007,582 0.09,583 0.042,584 0.045,585 0.027,586 0.02,587 0.012,588 0.01,589 0.009,590 0.427,591 0.33,592 0.88,593 0.531,594 169.669,595 0.017,596 -0.248,597 0.049,598 -0.074,599 -0.014,600 -0.012,601 -0.023,602 0.09,603 0.07,604 0.133,605 0.081,606 0.118,607 -0.118,608 0.114,609 -0.036,610 0.051,611 0.011,612 0.012,613 -0.085,614 -0.157,615 -0.164,616 -0.189,617 -0.091,618 -0.207,619 0.071,620 -0.107,621 -0.003,622 -0.097,623 0.006,624 -0.064,625 0.014,626 -0.059,627 0.05,628 -0.009,629 -0.015,630 -0.011,631 -0.035,632 -0.022,633 -0.159,634 -0.117,635 -0.033,636 -0.103,637 -0.006,638 -0.04,639 -0.15,640 -0.121,641 -0.079,642 -0.121,643 1.666,644 4.994,645 0.813,646 31.063,647 0.994,648 1.121,649 3.521,650 12.394,651 0.686,652 3.611,653 3.97,654 4.29,655 4.564,656 4.844,657 4.92,658 5.024,659 5.106,660 5.209,661 5.247,662 7.723,663 0.643,664 447.02,665 3.611,666 5.176,667 6.052,668 6.946,669 7.836,670 8.733,671 9.626,672 10.525,673 11.42,674 12.318,675 6.8,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,713 1,714 59,716 19,717 2,718 36,720 63,721 26,722 15,723 7,724 5,725 3,730 5,731 7,732 1,736 1,743 1,745 18,746 8,750 2,755 1,757 2,759 1,764 27,765 5,767 6,768 1,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 2,824 1,827 32,833 6,838 3,846 1,847 1.7,850 1,854 16,855 11.36,856 6.889,857 3.687,858 3.93,859 1.465,860 1.018,861 5.831,862 12.39,863 3.861,864 4.477,865 5.098,866 5.683,867 6.269,868 6.544,869 6.861,870 7.14,871 7.42,872 7.304,873 0.889,874 57,875 11.85,877 5.077,878 7.566,879 23.218,881 19.661,883 2.066,884 66.111,888 317.82,889 143.135,890 26.158,891 39.149,892 25.145,895 143.135,896 382.113,897 26.158,898 17.222,899 16.187,900 85.286,901 46.635,902 29.108,904 317.82,905 39.149,906 317.82,907 169.293,908 25.145,909 39.149,911 294.278,912 48.687,915 33.038,916 100.517,917 74.887,919 317.82,920 51.303,921 182.283,924 317.82,925 40.627,926 111.881,928 81.079,929 317.82,930 51.303,931 182.283,933 0.593,934 0.359,935 0.193,936 0.11,937 27,938 12,939 0.063,940 4,941 2,942 1.154,943 4.329,944 302.181,945 0.154,946 26,947 152,951 21.296,952 8.762,953 4.129,954 2.282,955 51.303,956 14.517,957 4.683,961 6.212,964 551.406,965 46.5,970 11.994,972 3.536,974 0.001,975 58.661,976 66.129,977 0.255,978 0.6,979 0.791,980 0.898,981 0.903,982 0.903,983 5.125,984 1.818,985 6.052,986 5.732,987 4.654,988 5.165,989 1.758,990 6.899,991 4.57,992 6.337,993 1.602,994 7.637,995 4.922,996 4.29,997 5.027,998 0.766,999 7.872,1000 4.137,1001 7.655,1002 1.431,1003 9.321,1004 4.496,1005 6.286,1006 7.387,1007 1.696,1008 10.995,1009 6.126,1010 9.008,1011 1.275,1012 11.065,1013 3.489,1014 6.735,1015 8.087,1016 0.931,1017 12.796,1018 6.515,1019 10.395,1020 1,1021 12.846,1022 3.227,1023 8.206,1024 9.937,1025 1.83,1026 15.449,1027 7.975,1028 11.805,1029 0.868,1030 14.653,1031 2.275,1032 9.029,1033 11.04,1034 1.142,1035 17.593,1036 8.753,1037 13.234,1038 0.731,1039 16.48,1040 2.051,1041 10.297,1042 12.681,1043 2.038,1044 20.085,1045 10.003,1046 3.218,1047 0.309,1048 18.322,1049 1.761,1050 11.296,1051 13.982,1052 1.436,1053 22.375,1054 10.966,1055 3.139,1056 11.215,1057 20.175,1058 0.714,1059 12.484,1060 15.532,1061 2.286,1062 24.809,1063 12.132,1064 2.705,1065 10.856,1066 22.038,1067 4.474,1068 13.564,1069 16.927,1070 1.783,1071 27.161,1072 13.181,1073 2.629,1074 8.747,1075 23.908,1076 4.225,1077 14.724,1078 18.437,1079 2.561,1080 29.575,1081 14.316,1082 2.365,1083 8,1084 25.785,1085 3.276,1086 15.842,1087 19.878,1088 2.156,1089 31.955,1090 15.404,1091 2.042,1092 6.884,1093 27.666,1094 3.249,1095 16.994,1096 21.372,1097 2.856,1098 34.361,1099 16.529,1100 1.978,1101 6.11,1102 29.552,1103 2.735,1104 18.13,1105 22.834,1106 2.541,1107 36.754,1108 17.637,1109 14588,1110 23064,1111 24.274,1112 40.472,1113 55.026,1114 56.184,1115 56.328,1116 54.447,1117 54.221,1118 69.257,1119 6.186,1120 160.96,1121 51.853,1122 5.551,1123 5.678,1124 6.341,1125 5.256,1126 5.218,1127 7.474,1128 2.293,1129 18.696,1130 5.118,1131 15.397,1132 1.528,1133 1.561,1134 1.565,1135 1.512,1136 1.506,1137 1.924,1138 0.172,1139 4.471,1140 1.44,1141 4.099,1142 4.133,1143 4.086,1144 4.02,1145 7.429,1146 4.025,1147 4.018,1148 4.042,1149 4.036,1150 3.954,1151 4.986,1152 3.955,1153 3.792,1154 3.863,1155 3.685,1156 3.603,1157 4.919,1158 3.613,1159 3.566,1160 3.609,1161 3.653,1162 3.432,1163 4.459,1164 3.435,1165 3.507,1166 3.553,1167 3.416,1168 3.4,1169 4.438,1170 3.396,1171 3.33,1172 3.395,1173 3.218,1174 3.194,1175 4.286,1176 3.182,1177 3.189,1178 3.281,1179 3.126,1180 2.988,1181 4.032,1182 2.983,1183 3.111,1184 3.206,1185 3.008,1186 2.941,1187 3.975,1188 2.923,1189 0.126,1190 0.102,1191 0.189,1192 0.116,1193 0.089,1194 4.551,1195 0.124,1196 3.678,1197 0.033,1198 6.821,1199 0.312,1200 4.188,1201 0.087,1202 3.218,1203 4.474,1204 1.2,1205 11.215,1206 3.118,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.364,1212 2.144,1213 1.985,1214 1.965,1215 2.061,1216 2.076,1217 1.268,1218 2.076,1219 1.749,1220 1.68,1221 1.945,1222 1.96,1223 1.171,1224 1.96,1225 1.535,1226 1.49,1227 1.741,1228 1.706,1229 0.934,1230 1.717,1231 1.493,1232 1.453,1233 1.694,1234 1.645,1235 0.825,1236 1.667,1237 1.337,1238 1.276,1239 1.566,1240 1.507,1241 0.805,1242 1.533,1243 1.191,1244 1.097,1245 1.53,1246 1.433,1247 0.668,1248 1.471,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.572,1254 1.429,1255 4.29,1257 5.638,1259 7.195,1261 8.848,1263 10.55,1265 3.846,1266 6.563,1271 5.82,1276 6.659,1280 37.949,1281 88.483,1282 208.227,1283 274.695,1284 311.566,1285 313.566,1286 313.566,1287 46.485,1288 8.46,1289 41.37,1290 41.37,1291 30,1292 12.842,1293 4.322,1294 3.524,1295 46.024,1296 153,1297 136,1298 0.147,1299 233.437,1300 405.46,1301 561.346,1302 67085,1303 1.7,1304 22.242,1305 0.695,1306 0.602,1307 22.742,1308 19.27,1309 15.508,1310 0.431,1311 0.319,1312 11.03,1313 14.774,1314 10.671,1315 8.787,1316 15.797,1317 11.497,1318 14.255,1319 0.274,1320 0.173,1321 14.626,1322 8.972,1323 12.685,1324 0.176,1325 0.097,1326 13.044,1327 6.955,1328 10.509,1329 0.111,1330 0.053,1331 10.799,1332 5.001,1333 8.936,1334 0.071,1335 0.029,1336 9.2,1337 3.632,1338 0.237,1339 99.019,1340 0.203,1341 30.125,1342 0.389,1343 176,1344 440.519,1345 202.698,1346 463.764,1347 639.54,1348 436,1349 212,1350 459.415,1351 236.084,1352 478.516,1353 706.11,1354 452,1355 8.4} {0 CHEMBL1289276,1 1.482,2 13.333,3 4.643,4 21.559,5 132.087,6 7.171,7 0.459,8 4.217,9 4.343,10 3.765,11 3.777,12 5.258,13 3.746,14 4.791,15 4.987,16 4.156,17 4.191,18 5.794,19 4.148,20 5.052,21 5.256,22 4.268,23 4.406,24 6.046,25 4.335,26 5.184,27 5.403,28 4.204,29 4.472,30 6.133,31 4.346,32 5.268,33 5.536,34 4.124,35 4.429,36 6.102,37 4.281,38 5.197,39 5.471,40 4.034,41 4.295,42 6.102,43 4.166,44 5.062,45 5.317,46 3.853,47 4.194,48 5.998,49 4.05,50 5.019,51 5.309,52 3.68,53 4.093,54 5.781,55 3.916,56 0.018,57 0.982,58 13.107,59 5.774,60 6.642,61 7.789,62 0.237,63 1.643,64 25.75,65 9.321,66 23.652,67 13.167,68 0.327,69 2.08,70 34.069,71 12.69,72 36.632,73 17.405,74 0.386,75 2.243,76 39.285,77 15.942,78 51.65,79 22.15,80 0.275,81 2.32,82 44.818,83 17.14,84 46.907,85 24.449,86 0.487,87 2.273,88 43.232,89 14.809,90 64.32,91 20.625,92 0.527,93 2.001,94 37.359,95 13.212,96 70.376,97 17.995,98 0.386,99 1.649,100 36.109,101 12.775,102 50.279,103 18.701,104 26,105 54,106 0.237,107 0.561,108 0.753,109 0.853,110 0.853,111 0.853,112 3.532,113 0.935,114 -4.85,115 -4.76,116 -4.47,119 43.5,120 2,121 1,124 1,125 5,134 2,140 6,141 4,142 3,144 2,156 1,169 10,171 1,172 11,178 15,181 1,182 7,189 13,192 1,193 9,199 10,203 9,211 2,214 1,215 7,222 1,225 1,226 5,233 2,236 1,237 3,244 3,248 1,249 4,256 7,259 1756,260 22.17,261 22.17,262 22.17,263 22.17,264 22.17,265 19.843,266 28.541,267 12.671,268 22.599,269 18.215,270 18.215,271 18.215,272 18.215,273 18.215,274 14.523,275 37.726,276 5.999,277 18.9,278 4.472,279 2.441,280 1.242,281 0.617,282 0.617,283 0.617,284 4.239,289 1,290 973,291 2.915,295 443.399,299 298.082,302 1.919,303 27.835,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70.5,315 440,316 4.581,317 3.675,318 6.821,319 4.2,320 3.218,321 4.509,322 1.2,323 11.215,324 3.162,325 4.549,326 3.329,327 6.715,328 4.136,329 3.169,330 4.225,331 0.8,332 10.948,333 3.068,334 3.962,335 3.197,336 6.151,337 3.678,338 2.706,339 3.282,340 0.8,341 8.747,342 2.632,343 3.859,344 2.918,345 5.817,346 3.574,347 2.632,348 3.276,349 0.293,350 8.042,351 2.467,352 3.619,353 2.705,354 5.344,355 3.316,356 2.376,357 2.953,359 6.892,360 2.232,361 3.462,362 2.646,363 5.295,364 3.137,365 2.205,366 2.647,368 6.112,369 2.047,370 3.373,371 2.532,372 5.027,373 2.991,374 1.981,375 2.618,377 6.046,378 1.992,379 3.29,380 2.204,381 4.954,382 2.912,383 1.952,384 2.483,386 5.638,387 1.861,388 3.214,389 1.996,390 4.742,391 2.811,392 1.818,393 2.407,395 4.922,396 1.8,397 2.883,398 1.651,399 4.555,400 2.517,401 1.555,402 1.969,404 4.482,405 1.492,406 2.657,407 1.534,408 4.014,409 2.265,410 1.288,411 1.604,413 3.258,414 1.255,415 2.334,416 1.164,417 3.726,418 1.967,419 1,420 1.28,422 2.503,423 0.965,424 2,425 1.146,426 3.414,427 1.94,428 0.971,429 1,431 2.275,432 0.937,433 1.955,434 1.089,435 3.359,436 1.728,437 0.748,438 0.857,440 1.8,441 0.731,442 1.835,443 0.776,444 2.948,445 1.326,446 0.309,447 0.416,449 0.715,450 0.311,451 15.719,452 0.476,453 0.942,454 0.029,455 41.75,456 1.265,457 20,458 0.606,459 21.75,460 0.659,461 31.608,462 0.958,463 35.281,464 0.569,465 32.307,466 0.979,467 8.236,468 0.25,469 7.666,470 0.232,471 0.135,473 0.394,477 1,479 0.625,480 1.275,481 0.782,482 1.119,483 0.518,484 1,485 0.83,486 0.982,487 0.813,488 0.83,489 0.488,490 0.805,491 1.05,492 0.969,493 1.041,494 0.962,495 0.846,496 0.981,497 0.64,498 1.017,499 1.068,500 1.222,501 0.732,502 1.221,503 0.638,504 1.051,505 0.91,506 1.091,507 0.594,508 1.053,509 1.241,510 1.061,511 1.06,512 0.961,513 1.144,514 0.973,515 1.379,516 1.092,517 1.284,518 1.121,519 1.448,520 1.177,521 0.701,522 0.818,523 0.964,524 0.949,525 0.7,526 0.989,527 7,528 0.174,529 4.667,530 2.563,531 2.569,532 1.396,533 0.807,534 0.45,535 0.295,536 0.229,537 16843,538 41189,539 2.112,540 46.8,541 3,542 21,546 3,547 2,550 1.748,551 1.96,552 3.627,553 -0.811,559 91.897,560 1.482,561 3.513,562 4.712,563 5.337,564 5.337,565 5.337,566 2.997,567 4.779,568 5.021,569 3.837,570 2025.84,571 8.767,572 30841.1,574 1,577 369.16,578 1.459,579 4.969,580 0.189,581 0.006,582 0.086,583 0.043,584 0.049,585 0.03,586 0.019,587 0.013,588 0.01,589 0.009,590 0.456,591 0.33,592 0.88,593 0.565,594 176.428,595 0.009,596 -0.2,597 0.071,598 -0.073,599 -0.02,600 -0.01,601 -0.01,602 0.052,603 0.116,604 0.139,605 0.082,606 0.149,607 -0.121,608 0.081,609 -0.098,610 0.02,611 -0.036,612 -0.02,613 0.085,614 -0.097,615 -0.143,616 -0.206,617 0.015,618 -0.215,619 0.044,620 -0.172,621 0.05,622 -0.098,623 0.034,624 -0.039,625 -0.087,627 -0.033,629 -0.059,630 -0.004,631 -0.118,632 0.025,633 -0.264,634 -0.14,635 -0.17,636 -0.209,637 0.014,638 -0.042,639 0.017,640 0.009,641 -0.021,642 0.009,643 1.904,644 6.289,645 0.788,646 32.132,647 0.996,648 1.128,649 3.62,650 13.105,651 0.666,652 3.638,653 4.007,654 4.317,655 4.605,656 4.898,657 4.99,658 5.075,659 5.182,660 5.257,661 5.293,662 7.802,663 0.63,664 444.6,665 3.638,666 5.209,667 6.084,668 6.984,669 7.874,670 8.777,671 9.672,672 10.575,673 11.472,674 12.376,675 6.5,678 1,681 1,682 1,685 1,687 2,688 6,689 1,693 7,695 17,709 1,713 1,714 62,716 19,717 2,718 37,720 66,721 27,722 15,723 8,724 4,725 3,730 5,731 7,736 2,743 1,745 18,746 9,750 2,755 1,757 2,759 1,762 1,764 29,765 6,767 6,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 3,825 1,827 33,833 6,838 3,846 1,847 1.6,850 1,854 16.833,855 12.276,856 7.056,857 3.882,858 3.936,859 1.461,860 1.015,861 5.839,862 12.465,863 3.882,864 4.511,865 5.125,866 5.724,867 6.324,868 6.627,869 6.922,870 7.232,871 7.476,872 7.386,873 0.889,874 59,875 12.273,877 5.3,878 7.672,879 23.853,881 20.196,883 2.172,884 71.667,888 341.362,889 151.29,890 26.158,892 25.145,893 14.96,895 151.29,896 366.507,897 41.119,898 26.047,899 16.187,900 75.81,901 46.635,902 37.914,903 14.96,904 341.362,906 341.362,907 177.448,908 40.105,911 332.78,912 48.687,915 41.863,916 99.847,917 35.738,919 356.322,920 51.303,921 151.29,924 341.362,925 49.433,926 111.23,928 56.891,929 341.362,930 66.264,931 151.29,933 0.596,934 0.356,935 0.193,936 0.113,937 28,938 13,939 0.061,940 4,941 2,942 1.154,943 4.364,944 316.609,945 0.154,946 26,947 162.465,951 21.912,952 8.794,953 4.225,954 1.723,955 66.264,956 11.342,957 4.516,961 6.297,964 558.915,965 47.5,970 12.024,972 3.618,974 0.017,975 61.734,976 69.94,977 0.249,978 0.59,979 0.791,980 0.896,981 0.896,982 0.896,983 5.155,984 1.952,985 6.094,986 6.046,987 4.691,988 5.198,989 1.758,990 6.944,991 4.623,992 6.376,993 1.818,994 7.681,995 5.638,996 4.369,997 5.112,998 0.766,999 7.912,1000 4.254,1001 7.699,1002 1.555,1003 9.366,1004 4.922,1005 6.33,1006 7.431,1007 1.696,1008 11.035,1009 6.197,1010 9.056,1011 1.288,1012 11.107,1013 4.482,1014 6.792,1015 8.152,1016 0.931,1017 12.822,1018 6.624,1019 10.444,1020 1,1021 12.885,1022 3.258,1023 8.249,1024 9.984,1025 1.83,1026 15.482,1027 8.062,1028 11.855,1029 0.971,1030 14.689,1031 2.503,1032 9.077,1033 11.097,1034 1.142,1035 17.62,1036 8.863,1037 13.285,1038 0.748,1039 16.512,1040 2.275,1041 10.339,1042 12.731,1043 2.038,1044 20.118,1045 10.106,1046 3.218,1047 0.309,1048 18.351,1049 1.8,1050 11.341,1051 14.039,1052 1.436,1053 22.407,1054 11.086,1055 3.169,1056 11.215,1057 20.202,1058 0.715,1059 12.528,1060 15.588,1061 2.286,1062 24.845,1063 12.254,1064 2.706,1065 10.948,1066 22.062,1067 4.509,1068 13.612,1069 16.991,1070 1.783,1071 27.199,1072 13.318,1073 2.632,1074 8.747,1075 23.931,1076 4.225,1077 14.773,1078 18.504,1079 2.561,1080 29.616,1081 14.459,1082 2.376,1083 8.042,1084 25.807,1085 3.282,1086 15.894,1087 19.952,1088 2.156,1089 31.999,1090 15.561,1091 2.205,1092 6.892,1093 27.688,1094 3.276,1095 17.048,1096 21.45,1097 2.856,1098 34.408,1099 16.695,1100 1.981,1101 6.112,1102 29.574,1103 2.953,1104 18.188,1105 22.92,1106 2.541,1107 36.803,1108 17.815,1109 15626,1110 24583,1111 24.679,1112 41.313,1113 56.632,1114 57.563,1115 58.199,1116 55.971,1117 55.852,1118 71.052,1119 6.186,1120 167.192,1121 53.904,1122 5.581,1123 5.675,1124 6.235,1125 5.267,1126 5.218,1127 7.509,1128 2.293,1129 18.696,1130 5.162,1131 17.521,1132 1.531,1133 1.556,1134 1.573,1135 1.513,1136 1.51,1137 1.92,1138 0.167,1139 4.519,1140 1.457,1141 4.105,1142 4.138,1143 4.068,1144 4.021,1145 8.201,1146 4.029,1147 4.027,1148 4.053,1149 3.986,1150 3.961,1151 7.429,1152 3.963,1153 3.793,1154 3.863,1155 3.685,1156 3.603,1157 4.949,1158 3.613,1159 3.592,1160 3.636,1161 3.514,1162 3.448,1163 4.747,1164 3.456,1165 3.526,1166 3.574,1167 3.446,1168 3.408,1169 4.402,1170 3.408,1171 3.343,1172 3.415,1173 3.202,1174 3.197,1175 4.212,1176 3.186,1177 3.194,1178 3.283,1179 3.036,1180 3.002,1181 4.186,1182 2.996,1183 3.111,1184 3.206,1185 2.939,1186 2.944,1187 3.992,1188 2.932,1189 0.124,1190 0.099,1191 0.184,1192 0.114,1193 0.087,1194 4.581,1195 0.122,1196 3.675,1197 0.032,1198 6.821,1199 0.303,1200 4.2,1201 0.085,1202 3.218,1203 4.509,1204 1.2,1205 11.215,1206 3.162,1207 2.044,1208 2.019,1209 2.118,1210 2.148,1211 1.371,1212 2.141,1213 2.004,1214 1.981,1215 2.094,1216 2.093,1217 1.286,1218 2.094,1219 1.75,1220 1.68,1221 1.947,1222 1.96,1223 1.175,1224 1.961,1225 1.555,1226 1.512,1227 1.748,1228 1.739,1229 0.935,1230 1.744,1231 1.508,1232 1.463,1233 1.708,1234 1.663,1235 0.825,1236 1.678,1237 1.351,1238 1.283,1239 1.631,1240 1.542,1241 0.798,1242 1.574,1243 1.198,1244 1.109,1245 1.535,1246 1.433,1247 0.781,1248 1.471,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.595,1254 1.429,1255 4.317,1257 5.673,1259 7.232,1261 8.887,1263 10.592,1265 5.901,1267 14.289,1271 5.471,1276 6.467,1280 39.032,1281 91.897,1282 217.802,1283 292.166,1284 330.896,1285 330.896,1286 330.896,1287 54.879,1288 8.53,1289 41.37,1290 41.37,1291 30,1292 12.896,1293 4.322,1294 3.524,1295 48.127,1296 160,1297 135,1298 0.148,1299 235.894,1300 413.62,1301 567.342,1302 72380,1303 1.6,1304 23.112,1305 0.7,1306 0.589,1307 22.242,1308 19.437,1309 15.902,1310 0.43,1311 0.312,1312 11.385,1313 15.342,1314 11.009,1315 9.091,1316 15.508,1317 11.53,1318 14.901,1319 0.276,1320 0.168,1321 14.255,1322 9.047,1323 12.953,1324 0.175,1325 0.094,1326 12.685,1327 6.933,1328 10.827,1329 0.109,1330 0.05,1331 10.509,1332 4.985,1333 9.275,1334 0.07,1335 0.027,1336 8.936,1337 3.632,1338 0.237,1339 99.072,1340 0.201,1341 30.827,1342 0.392,1343 182,1344 508.427,1345 197.01,1346 472.603,1347 652.01,1348 444,1349 219,1350 485.885,1351 234.284,1352 490.183,1353 721.55,1354 462,1355 8.699} {0 CHEMBL1289277,1 1.367,2 13.182,3 4.815,4 23.186,5 136.288,6 6.779,7 0.459,8 4.252,9 4.383,10 3.758,11 3.818,12 5.239,13 3.772,14 4.829,15 5.031,16 4.145,17 4.235,18 5.744,19 4.174,20 5.096,21 5.307,22 4.274,23 4.461,24 6.007,25 4.374,26 5.254,27 5.48,28 4.188,29 4.547,30 6.097,31 4.404,32 5.354,33 5.631,34 4.09,35 4.522,36 6.082,37 4.344,38 5.276,39 5.566,40 4.014,41 4.409,42 5.995,43 4.242,44 5.14,45 5.396,46 3.958,47 4.347,48 5.933,49 4.187,50 5.175,51 5.456,52 3.792,53 4.281,54 5.935,55 4.089,56 0.055,57 0.95,58 14.656,59 6.087,60 9.554,61 8.606,62 0.258,63 1.613,64 27.72,65 9.854,66 23.377,67 14.537,68 0.323,69 2.054,70 36.482,71 13.256,72 33.931,73 19.242,74 0.312,75 2.268,76 42.793,77 17.114,78 41.835,79 24.361,80 0.298,81 2.386,82 48.322,83 18.929,84 42.726,85 27.661,86 0.384,87 2.215,88 45.391,89 16.493,90 41.103,91 24.475,92 0.297,93 1.98,94 38.819,95 14.832,96 37.93,97 21.547,98 0.392,99 1.964,100 41.067,101 15.073,102 48.829,103 22.118,104 26,105 54,106 0.217,107 0.544,108 0.772,109 0.878,110 0.883,111 0.883,112 3.532,113 0.961,114 -4.68,115 -4.6,116 -4.32,119 43.1,120 3,121 1,124 1,125 4,127 1,134 2,140 7,141 4,142 2,144 2,156 1,169 12,171 1,172 12,178 15,181 1,182 10,189 14,192 1,193 9,199 12,203 9,211 7,214 1,215 8,222 5,225 1,226 6,233 7,236 1,237 4,244 6,248 1,249 4,256 9,259 1793,260 22.223,261 22.223,262 22.223,263 22.223,264 22.223,265 19.92,266 28.494,267 12.676,268 22.582,269 18.193,270 18.193,271 18.193,272 18.193,273 18.193,274 14.582,275 39.313,276 5.951,277 18.762,278 4.655,279 2.588,280 1.149,281 0.477,282 0.446,283 0.446,284 4.239,289 1,290 963,291 2.915,295 443.539,299 297.003,302 1.983,303 18.879,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 435,316 4.553,317 3.675,318 6.821,319 4.2,320 3.219,321 4.474,322 1.2,323 11.215,324 3.162,325 4.549,326 3.32,327 6.701,328 4.119,329 3.152,330 4.225,331 0.8,332 10.882,333 3.052,334 3.969,335 3.197,336 6.156,337 3.771,338 2.827,339 3.277,340 0.8,341 8.833,342 2.669,343 3.917,344 3.019,345 6.068,346 3.657,347 2.678,348 3.256,349 0.293,350 8.68,351 2.606,352 3.693,353 2.675,354 5.729,355 3.389,356 2.446,357 2.838,359 7.692,360 2.306,361 3.38,362 2.543,363 5.314,364 3.013,365 2.046,366 2.645,368 6.117,369 2,370 3.361,371 2.256,372 4.972,373 2.989,374 1.98,375 2.613,377 5.754,378 1.966,379 3.219,380 2.003,381 4.743,382 2.82,383 1.825,384 2.427,386 4.929,387 1.811,388 3.031,389 1.712,390 4.583,391 2.582,392 1.607,393 2.255,395 4.555,396 1.565,397 2.789,398 1.616,399 4.235,400 2.492,401 1.516,402 1.853,404 3.877,405 1.476,406 2.67,407 1.498,408 4.02,409 2.382,410 1.404,411 1.633,413 3.416,414 1.369,415 2.471,416 1.463,417 3.987,418 2.231,419 1.256,420 1.454,422 3.191,423 1.221,424 2.25,425 1.156,426 3.398,427 1.855,428 0.876,429 1.162,431 2.065,432 0.856,433 1.957,434 0.909,435 3.347,436 1.72,437 0.74,438 0.866,440 1.792,441 0.723,442 1.847,443 0.779,444 2.977,445 1.357,446 0.348,447 0.449,449 0.815,450 0.348,451 15.933,452 0.483,453 0.925,454 0.028,455 41.5,456 1.258,457 20,458 0.606,459 21.5,460 0.652,461 33.131,462 1.004,463 35.067,464 0.539,465 31.222,466 0.946,467 8.012,468 0.243,469 7.907,470 0.24,471 0.146,473 0.389,479 0.754,480 1.412,481 0.858,482 1.133,483 0.611,484 1.023,485 1.038,486 1.058,487 0.858,488 0.843,489 0.53,490 0.823,491 1.234,492 1.006,493 1.057,494 0.957,495 0.827,496 0.975,497 0.979,498 1.155,499 1.173,500 1.212,501 1.024,502 1.215,503 0.647,504 1.068,505 0.971,506 1.082,507 0.58,508 1.06,509 0.866,510 0.896,511 0.948,512 0.909,513 0.658,514 0.926,515 0.907,516 1.115,517 1.106,518 1.146,519 0.853,520 1.144,521 1.047,522 1.045,523 1.121,524 1.075,525 1.152,526 1.103,527 6.5,528 0.174,529 5.111,530 2.688,531 2.409,532 1.257,533 0.972,534 0.488,535 0.373,536 0.265,537 16555,538 35795,539 2.112,540 49.2,541 3,542 21,546 3,547 5,550 1.749,551 1.96,552 3.626,553 -0.841,559 88.848,560 1.367,561 3.434,562 4.874,563 5.545,564 5.576,565 5.576,566 3.024,567 4.863,568 5.02,569 3.824,570 2019.25,571 8.772,572 30297.7,577 391.454,578 1.459,579 4.969,580 0.176,581 0.006,582 0.095,583 0.045,584 0.046,585 0.027,586 0.023,587 0.012,588 0.012,589 0.009,590 0.451,591 0.33,592 0.88,593 0.565,594 175.794,595 0.05,596 -0.232,597 0.081,598 -0.07,599 -0.027,600 -0.007,601 0.039,602 0.082,603 0.129,604 0.138,605 0.106,606 0.143,607 -0.123,608 0.106,609 -0.07,610 0.025,611 0.014,612 -0.007,613 -0.083,614 -0.142,615 -0.21,616 -0.195,617 -0.08,618 -0.214,619 0.03,620 -0.128,621 -0.008,622 -0.084,623 0.014,624 -0.056,625 -0.006,626 0.066,627 0.039,628 0.052,629 -0.01,630 0.052,631 -0.031,632 -0.127,633 -0.133,634 -0.156,635 -0.048,636 -0.155,637 -0.042,638 -0.1,639 -0.131,640 -0.106,641 -0.121,642 -0.126,643 1.624,644 5.07,645 0.788,646 32.444,647 0.986,648 1.123,649 3.451,650 11.908,651 0.664,652 3.638,653 4.007,654 4.331,655 4.605,656 4.883,657 4.977,658 5.094,659 5.176,660 5.298,661 5.333,662 7.646,663 0.618,664 440.64,665 3.638,666 5.209,667 6.089,668 6.987,669 7.88,670 8.782,671 9.678,672 10.58,673 11.479,674 12.38,675 6.2,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,714 65,716 19,717 2,718 37,720 69,721 28,722 15,723 7,724 5,725 3,730 5,731 7,736 3,740 1,743 2,745 18,746 10,750 2,755 1,757 2,759 1,764 32,765 5,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 4,827 33,833 5,837 1,838 3,847 1.5,850 1,854 16.833,855 13.05,856 7.083,857 4.118,858 3.9,859 1.459,860 1.003,861 5.881,862 12.396,863 3.882,864 4.5,865 5.116,866 5.697,867 6.28,868 6.562,869 6.886,870 7.171,871 7.467,872 7.372,873 0.889,874 60,875 12.236,877 5.205,878 7.495,879 24.189,881 20.515,883 1.995,884 65.833,888 376.675,889 158.364,890 26.158,892 25.145,895 158.364,896 401.82,897 26.158,898 34.872,899 14.082,900 85.286,901 46.635,902 28.793,904 376.675,906 376.675,907 184.523,908 25.145,911 317.82,912 84,915 48.582,916 100.202,917 35.738,919 376.675,920 51.303,921 158.364,924 376.675,925 38.206,926 129.531,928 41.93,929 376.675,930 51.303,931 158.364,933 0.596,934 0.362,935 0.194,936 0.109,937 28,938 13,939 0.058,940 4,941 2,942 1.154,943 4.342,944 318.517,945 0.154,946 26,947 164.465,951 21.973,952 8.832,953 4.13,954 2.309,955 51.303,956 14.984,957 4.714,961 7.209,964 586.343,965 47.5,970 12.07,972 3.685,974 0.042,975 64.105,976 73.015,977 0.227,978 0.57,979 0.809,980 0.921,981 0.926,982 0.926,983 5.155,984 1.825,985 6.098,986 5.754,987 4.691,988 5.187,989 1.758,990 6.956,991 4.632,992 6.371,993 1.607,994 7.692,995 4.929,996 4.369,997 5.066,998 0.766,999 7.945,1000 4.271,1001 7.691,1002 1.516,1003 9.385,1004 4.555,1005 6.337,1006 7.405,1007 1.696,1008 11.067,1009 6.214,1010 9.046,1011 1.404,1012 11.135,1013 3.877,1014 6.815,1015 8.108,1016 0.931,1017 12.867,1018 6.654,1019 10.433,1020 1.256,1021 12.921,1022 3.416,1023 8.271,1024 9.949,1025 1.83,1026 15.519,1027 8.087,1028 11.843,1029 0.876,1030 14.732,1031 3.191,1032 9.112,1033 11.052,1034 1.142,1035 17.655,1036 8.897,1037 13.271,1038 0.74,1039 16.56,1040 2.065,1041 10.371,1042 12.688,1043 2.038,1044 20.143,1045 10.135,1046 3.219,1047 0.348,1048 18.402,1049 1.792,1050 11.378,1051 13.988,1052 1.436,1053 22.425,1054 11.116,1055 3.152,1056 11.215,1057 20.255,1058 0.815,1059 12.562,1060 15.536,1061 2.286,1062 24.855,1063 12.278,1064 2.827,1065 10.882,1066 22.116,1067 4.474,1068 13.645,1069 16.93,1070 1.783,1071 27.201,1072 13.338,1073 2.678,1074 8.833,1075 23.984,1076 4.225,1077 14.802,1078 18.439,1079 2.561,1080 29.611,1081 14.474,1082 2.446,1083 8.68,1084 25.858,1085 3.277,1086 15.92,1087 19.879,1088 2.156,1089 31.987,1090 15.571,1091 2.046,1092 7.692,1093 27.737,1094 3.256,1095 17.069,1096 21.373,1097 2.856,1098 34.391,1099 16.7,1100 1.98,1101 6.117,1102 29.619,1103 2.838,1104 18.204,1105 22.835,1106 2.541,1107 36.781,1108 17.815,1109 15355,1110 22709,1111 24.679,1112 43.137,1113 56.801,1114 57.535,1115 58.535,1116 56.021,1117 55.936,1118 70.972,1119 6.186,1120 167.85,1121 54.355,1122 5.553,1123 5.675,1124 6.34,1125 5.268,1126 5.219,1127 7.474,1128 2.293,1129 18.696,1130 5.162,1131 17.297,1132 1.535,1133 1.555,1134 1.582,1135 1.514,1136 1.512,1137 1.918,1138 0.167,1139 4.536,1140 1.469,1141 4.104,1142 4.138,1143 4.06,1144 4.023,1145 7.429,1146 4.028,1147 4.027,1148 4.053,1149 3.985,1150 3.961,1151 4.984,1152 3.963,1153 3.82,1154 3.887,1155 3.717,1156 3.645,1157 4.747,1158 3.653,1159 3.593,1160 3.637,1161 3.514,1162 3.448,1163 4.45,1164 3.456,1165 3.518,1166 3.57,1167 3.416,1168 3.416,1169 4.313,1170 3.409,1171 3.345,1172 3.417,1173 3.191,1174 3.205,1175 4.203,1176 3.191,1177 3.271,1178 3.36,1179 3.064,1180 3.103,1181 4.004,1182 3.08,1183 3.193,1184 3.282,1185 3.014,1186 3.002,1187 3.959,1188 2.993,1189 0.123,1190 0.099,1191 0.184,1192 0.114,1193 0.087,1194 4.553,1195 0.121,1196 3.675,1197 0.032,1198 6.821,1199 0.303,1200 4.2,1201 0.085,1202 3.219,1203 4.474,1204 1.2,1205 11.215,1206 3.162,1207 2.049,1208 2.022,1209 2.131,1210 2.149,1211 1.387,1212 2.147,1213 2.004,1214 1.981,1215 2.096,1216 2.093,1217 1.291,1218 2.095,1219 1.782,1220 1.717,1221 1.974,1222 1.979,1223 1.192,1224 1.982,1225 1.556,1226 1.514,1227 1.751,1228 1.74,1229 0.941,1230 1.745,1231 1.522,1232 1.475,1233 1.733,1234 1.666,1235 0.899,1236 1.691,1237 1.362,1238 1.293,1239 1.663,1240 1.552,1241 0.808,1242 1.593,1243 1.299,1244 1.215,1245 1.619,1246 1.515,1247 0.784,1248 1.556,1249 1.199,1250 1.11,1251 1.535,1252 1.433,1253 0.595,1254 1.471,1255 4.317,1257 5.673,1259 7.236,1261 8.895,1263 10.603,1265 8.413,1271 5.076,1275 0.465,1276 6.865,1280 40.176,1281 88.848,1282 223.231,1283 316.783,1284 360.434,1285 362.434,1286 362.434,1287 47.482,1288 8.496,1289 41.37,1290 41.37,1291 30,1292 12.902,1293 4.322,1294 3.524,1295 48.062,1296 155,1297 143,1298 0.152,1299 244.288,1300 424.85,1301 587.824,1302 68930,1304 23.112,1305 0.7,1306 0.606,1307 23.112,1308 20.006,1309 15.919,1310 0.43,1311 0.32,1312 11.74,1313 15.48,1314 11.284,1315 9.374,1316 15.919,1317 11.858,1318 14.785,1319 0.274,1320 0.174,1321 14.785,1322 9.402,1323 13.144,1324 0.175,1325 0.097,1326 13.144,1327 7.256,1328 10.9,1329 0.11,1330 0.053,1331 10.9,1332 5.275,1333 9.161,1334 0.07,1335 0.029,1336 9.161,1337 3.767,1338 0.242,1339 98.27,1340 0.201,1341 30.741,1342 0.406,1343 182,1344 420.316,1345 193.512,1346 416.973,1347 591.14,1348 394,1349 220,1350 452.904,1351 232.707,1352 464.207,1353 683.6,1354 438,1355 8.6} {0 CHEMBL1289394,1 1.482,2 13.212,3 4.535,4 20.562,5 131.464,6 7.171,7 0.459,8 4.217,9 4.343,10 3.765,11 3.777,12 5.26,13 3.746,14 4.792,15 4.985,16 4.159,17 4.191,18 5.796,19 4.148,20 5.072,21 5.282,22 4.272,23 4.407,24 6.057,25 4.335,26 5.202,27 5.426,28 4.206,29 4.475,30 6.143,31 4.348,32 5.282,33 5.553,34 4.121,35 4.442,36 6.109,37 4.292,38 5.207,39 5.48,40 4.049,41 4.321,42 6.114,43 4.187,44 5.08,45 5.336,46 3.933,47 4.225,48 6.029,49 4.093,50 5.012,51 5.28,52 3.77,53 4.153,54 5.847,55 3.994,56 0.018,57 0.982,58 13.107,59 5.774,60 7.17,61 7.789,62 0.227,63 1.648,64 25.675,65 9.321,66 24.568,67 13.168,68 0.351,69 2.113,70 35.04,71 12.684,72 39.003,73 17.542,74 0.418,75 2.274,76 40.274,77 15.95,78 54.381,79 22.288,80 0.297,81 2.34,82 45.588,83 17.427,84 48.418,85 24.854,86 0.443,87 2.282,88 43.465,89 15.571,90 69.472,91 21.561,92 0.526,93 2.055,94 38.038,95 13.486,96 72.384,97 18.399,98 0.391,99 1.784,100 35.15,101 12.609,102 51.643,103 17.982,104 26,105 54,106 0.237,107 0.574,108 0.792,109 0.889,110 0.889,111 0.889,112 3.532,113 0.936,114 -4.85,115 -4.76,116 -4.47,119 43.5,120 2,121 1,124 1,125 4,127 1,134 2,140 7,141 3,142 3,144 2,156 1,169 9,171 1,172 12,178 13,181 1,182 8,189 10,192 1,193 9,199 10,203 7,211 4,214 1,215 7,222 4,225 1,226 5,233 6,236 1,237 3,244 5,248 1,249 4,256 8,259 1771,260 22.17,261 22.17,262 22.17,263 22.17,264 22.17,265 19.896,266 29.264,267 12.691,268 22.592,269 18.226,270 18.226,271 18.226,272 18.226,273 18.226,274 14.614,275 40.653,276 6.003,277 18.91,278 4.472,279 2.365,280 0.999,281 0.391,282 0.391,283 0.391,284 4.239,289 1,290 965,291 2.915,295 444.395,299 297.649,302 2.011,303 28.253,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70.5,315 436,316 4.583,317 3.671,318 6.743,319 4.15,320 3.182,321 4.51,322 1.2,323 10.972,324 3.098,325 4.489,326 3.354,327 6.72,328 4.142,329 3.168,330 4.12,331 0.8,332 10.929,333 3.073,334 3.931,335 3.11,336 6.081,337 3.772,338 2.832,339 3.287,340 0.8,341 8.795,342 2.659,343 3.836,344 3.022,345 5.93,346 3.534,347 2.551,348 3.116,349 0.293,350 8.101,351 2.501,352 3.72,353 2.729,354 5.737,355 3.389,356 2.442,357 2.972,359 7.721,360 2.309,361 3.538,362 2.667,363 5.051,364 3.15,365 2.215,366 2.78,368 6.056,369 2.061,370 3.315,371 2.414,372 5.028,373 2.922,374 1.956,375 2.577,377 5.662,378 1.901,379 3.288,380 2.2,381 4.963,382 2.888,383 1.887,384 2.516,386 5.55,387 1.854,388 2.989,389 1.719,390 4.583,391 2.588,392 1.605,393 2.13,395 4.554,396 1.577,397 2.876,398 1.614,399 4.361,400 2.495,401 1.527,402 1.969,404 4.075,405 1.472,406 2.65,407 1.575,408 4.172,409 2.429,410 1.457,411 1.62,413 3.72,414 1.412,415 2.473,416 1.427,417 3.724,418 2.193,419 1.212,420 1.456,422 2.763,423 1.186,424 2.319,425 1.106,426 3.652,427 1.937,428 0.969,429 1.265,431 2.497,432 0.934,433 1.847,434 0.949,435 3.282,436 1.646,437 0.672,438 0.753,440 1.639,441 0.653,442 1.818,443 0.78,444 2.876,445 1.28,446 0.26,447 0.361,449 0.584,450 0.262,451 15.719,452 0.476,453 0.942,454 0.029,455 41.75,456 1.265,457 20,458 0.606,459 21.75,460 0.659,461 31.768,462 0.963,463 35.281,464 0.569,465 32.405,466 0.982,467 8.159,468 0.247,469 7.743,470 0.235,471 0.135,473 0.394,477 1,479 0.625,480 1.275,481 0.782,482 1.119,483 0.523,484 1,485 0.822,486 1.028,487 0.823,488 0.87,489 0.49,490 0.835,491 1.075,492 0.962,493 1.041,494 0.94,495 0.833,496 0.963,497 0.674,498 0.988,499 1.071,500 1.184,501 0.723,502 1.194,503 0.641,504 1.003,505 0.911,506 1.06,507 0.586,508 1.034,509 1.134,510 1.075,511 1.011,512 0.991,513 1.121,514 0.984,515 1.333,516 1.072,517 1.186,518 1.042,519 1.4,520 1.085,521 0.912,522 0.972,523 1.127,524 1.057,525 0.856,526 1.109,527 7,528 0.157,529 4.667,530 2.563,531 2.489,532 1.313,533 0.87,534 0.531,535 0.377,536 0.245,537 16647,538 40889,539 2.112,540 46.8,542 21,546 3,547 5,550 1.749,551 1.96,552 3.626,553 -0.811,559 91.897,560 1.482,561 3.589,562 4.956,563 5.563,564 5.563,565 5.563,566 3.024,567 4.984,568 5.02,569 3.832,570 2023.44,571 8.77,572 30483.8,574 1,577 369.16,578 1.459,579 4.969,580 0.189,581 0.006,582 0.086,583 0.043,584 0.048,585 0.028,586 0.02,587 0.014,588 0.012,589 0.009,590 0.456,591 0.33,592 0.88,593 0.565,594 176,595 0.009,596 -0.2,597 0.071,598 -0.073,599 -0.023,600 -0.01,601 -0.003,602 0.008,603 0.105,604 0.1,605 0.081,606 0.119,607 -0.127,608 0.085,609 -0.09,610 0.031,611 -0.033,612 -0.008,613 0.07,614 -0.069,615 -0.14,616 -0.179,617 0.017,618 -0.194,619 0.036,620 -0.128,621 0.049,622 -0.067,623 0.037,624 -0.019,625 -0.046,626 -0.034,627 0.005,628 -0.011,629 -0.05,630 0.002,631 -0.091,632 0.036,633 -0.165,634 -0.06,635 -0.142,636 -0.114,637 -0.059,638 -0.037,639 -0.147,640 -0.087,641 -0.083,642 -0.122,643 1.906,644 6.349,645 0.788,646 32.828,647 0.996,648 1.128,649 3.62,650 13.105,651 0.666,652 3.638,653 4.007,654 4.317,655 4.605,656 4.89,657 4.977,658 5.081,659 5.204,660 5.308,661 5.323,662 7.702,663 0.63,664 444.6,665 3.638,666 5.209,667 6.084,668 6.984,669 7.874,670 8.775,671 9.669,672 10.571,673 11.468,674 12.37,675 6.5,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,713 1,714 62,716 19,717 2,718 37,720 66,721 27,722 15,723 7,724 5,725 3,730 5,731 7,736 2,740 1,743 2,745 18,746 9,750 2,755 1,757 2,759 1,762 1,764 29,765 6,767 6,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 3,825 1,827 33,833 5,837 1,838 3,846 1,847 1.6,850 1,854 16.833,855 12.193,856 7.056,857 3.897,858 3.898,859 1.459,860 1.008,861 5.839,862 12.4,863 3.882,864 4.5,865 5.107,866 5.703,867 6.293,868 6.589,869 6.893,870 7.229,871 7.493,872 7.415,873 0.889,874 59,875 12.274,877 5.313,878 7.677,879 23.835,881 20.236,883 2.177,884 71.833,888 341.362,889 155.475,890 26.158,892 25.145,893 14.96,895 155.475,896 366.507,897 41.119,898 26.047,899 14.082,900 85.286,901 46.635,902 34.728,903 14.96,904 341.362,906 341.362,907 181.633,908 40.105,911 297.467,912 84,915 39.757,916 106.138,917 35.738,919 356.322,920 51.303,921 155.475,924 341.362,925 44.142,926 120.706,928 56.891,929 341.362,930 66.264,931 155.475,933 0.596,934 0.357,935 0.194,936 0.112,937 28,938 13,939 0.061,940 4,941 2,942 1.154,943 4.352,944 317.742,945 0.154,946 26,947 166.465,951 21.912,952 8.794,953 4.225,954 1.717,955 66.264,956 13.389,957 4.527,961 4.954,964 563.1,965 47.5,970 11.982,972 3.589,974 0.014,975 61.734,976 69.94,977 0.249,978 0.603,979 0.832,980 0.934,981 0.934,982 0.934,983 5.155,984 1.887,985 6.094,986 5.662,987 4.691,988 5.187,989 1.758,990 6.944,991 4.621,992 6.371,993 1.605,994 7.681,995 5.55,996 4.369,997 5.066,998 0.766,999 7.906,1000 4.246,1001 7.689,1002 1.527,1003 9.366,1004 4.554,1005 6.33,1006 7.399,1007 1.696,1008 11.027,1009 6.188,1010 9.04,1011 1.457,1012 11.107,1013 4.075,1014 6.792,1015 8.088,1016 0.931,1017 12.799,1018 6.603,1019 10.423,1020 1.212,1021 12.883,1022 3.72,1023 8.249,1024 9.932,1025 1.83,1026 15.45,1027 8.04,1028 11.828,1029 0.969,1030 14.685,1031 2.763,1032 9.075,1033 11.022,1034 1.142,1035 17.567,1036 8.827,1037 13.251,1038 0.672,1039 16.505,1040 2.497,1041 10.335,1042 12.663,1043 2.038,1044 20.052,1045 10.064,1046 3.182,1047 0.26,1048 18.339,1049 1.639,1050 11.332,1051 13.957,1052 1.436,1053 22.32,1054 11.028,1055 3.168,1056 10.972,1057 20.184,1058 0.584,1059 12.514,1060 15.509,1061 2.286,1062 24.743,1063 12.187,1064 2.832,1065 10.929,1066 22.039,1067 4.51,1068 13.591,1069 16.904,1070 1.783,1071 27.079,1072 13.233,1073 2.551,1074 8.795,1075 23.9,1076 4.12,1077 14.745,1078 18.418,1079 2.561,1080 29.48,1081 14.363,1082 2.442,1083 8.101,1084 25.768,1085 3.287,1086 15.858,1087 19.862,1088 2.156,1089 31.845,1090 15.448,1091 2.215,1092 7.721,1093 27.641,1094 3.116,1095 17.004,1096 21.361,1097 2.856,1098 34.239,1099 16.569,1100 1.956,1101 6.056,1102 29.519,1103 2.972,1104 18.135,1105 22.829,1106 2.541,1107 36.619,1108 17.672,1109 15444,1110 24348,1111 24.679,1112 41.313,1113 56.83,1114 57.558,1115 58.324,1116 56.022,1117 55.872,1118 70.866,1119 6.186,1120 167.241,1121 53.905,1122 5.583,1123 5.671,1124 6.272,1125 5.218,1126 5.182,1127 7.51,1128 2.293,1129 18.322,1130 5.098,1131 17.388,1132 1.536,1133 1.556,1134 1.576,1135 1.514,1136 1.51,1137 1.915,1138 0.167,1139 4.52,1140 1.457,1141 4.105,1142 4.138,1143 4.069,1144 4.02,1145 8.201,1146 4.028,1147 4.016,1148 4.043,1149 3.971,1150 3.945,1151 7.429,1152 3.947,1153 3.821,1154 3.886,1155 3.718,1156 3.645,1157 4.949,1158 3.653,1159 3.564,1160 3.611,1161 3.484,1162 3.427,1163 4.756,1164 3.431,1165 3.523,1166 3.568,1167 3.445,1168 3.397,1169 4.422,1170 3.402,1171 3.334,1172 3.4,1173 3.197,1174 3.199,1175 4.219,1176 3.186,1177 3.273,1178 3.362,1179 3.076,1180 3.103,1181 4.177,1182 3.081,1183 3.189,1184 3.281,1185 3.011,1186 2.985,1187 3.987,1188 2.981,1189 0.124,1190 0.099,1191 0.182,1192 0.112,1193 0.086,1194 4.583,1195 0.122,1196 3.671,1197 0.032,1198 6.743,1199 0.297,1200 4.15,1201 0.084,1202 3.182,1203 4.51,1204 1.2,1205 10.972,1206 3.098,1207 2.045,1208 2.02,1209 2.12,1210 2.15,1211 1.381,1212 2.143,1213 1.989,1214 1.965,1215 2.083,1216 2.084,1217 1.266,1218 2.085,1219 1.782,1220 1.717,1221 1.971,1222 1.978,1223 1.183,1224 1.98,1225 1.532,1226 1.487,1227 1.731,1228 1.714,1229 0.94,1230 1.72,1231 1.499,1232 1.457,1233 1.706,1234 1.659,1235 0.899,1236 1.674,1237 1.346,1238 1.283,1239 1.639,1240 1.529,1241 0.795,1242 1.572,1243 1.297,1244 1.214,1245 1.583,1246 1.508,1247 0.677,1248 1.537,1249 1.191,1250 1.096,1251 1.532,1252 1.433,1253 0.575,1254 1.471,1255 4.317,1257 5.673,1259 7.232,1261 8.887,1263 10.59,1265 5.992,1267 14.349,1271 4.479,1275 0.342,1276 6.498,1280 39.032,1281 91.897,1282 222.541,1283 307.244,1284 344.896,1285 344.896,1286 344.896,1287 55.808,1288 8.501,1289 41.37,1290 41.37,1291 30,1292 12.891,1293 4.322,1294 3.524,1295 48.079,1296 157,1297 134,1298 0.151,1299 235.894,1300 413.62,1301 567.342,1302 69286,1303 1.6,1304 23.112,1305 0.7,1306 0.587,1307 22.242,1308 19.384,1309 15.902,1310 0.43,1311 0.312,1312 11.398,1313 15.345,1314 11.03,1315 9.116,1316 15.508,1317 11.541,1318 14.903,1319 0.276,1320 0.169,1321 14.257,1322 9.106,1323 12.93,1324 0.175,1325 0.094,1326 12.663,1327 6.921,1328 10.892,1329 0.11,1330 0.051,1331 10.574,1332 5.044,1333 9.264,1334 0.07,1335 0.028,1336 8.923,1337 3.64,1338 0.24,1339 99.035,1340 0.201,1341 30.773,1342 0.402,1343 182,1344 506.427,1345 197.343,1346 470.623,1347 649.5,1348 442,1349 219,1350 485.237,1351 234.617,1352 488.737,1353 719.33,1354 461,1355 9.9} {0 CHEMBL1289509,1 1.367,2 13.182,3 4.815,4 23.186,5 136.288,6 6.779,7 0.459,8 4.252,9 4.383,10 3.758,11 3.818,12 5.239,13 3.772,14 4.829,15 5.031,16 4.145,17 4.235,18 5.744,19 4.174,20 5.096,21 5.307,22 4.274,23 4.461,24 6.007,25 4.374,26 5.254,27 5.48,28 4.188,29 4.547,30 6.097,31 4.404,32 5.354,33 5.631,34 4.09,35 4.522,36 6.082,37 4.344,38 5.276,39 5.566,40 4.014,41 4.409,42 5.995,43 4.242,44 5.14,45 5.396,46 3.958,47 4.347,48 5.933,49 4.187,50 5.175,51 5.456,52 3.792,53 4.281,54 5.935,55 4.089,56 0.055,57 0.95,58 14.656,59 6.087,60 9.554,61 8.606,62 0.258,63 1.613,64 27.72,65 9.854,66 23.377,67 14.537,68 0.323,69 2.054,70 36.482,71 13.256,72 33.931,73 19.242,74 0.312,75 2.268,76 42.793,77 17.114,78 41.835,79 24.361,80 0.298,81 2.386,82 48.322,83 18.929,84 42.726,85 27.661,86 0.384,87 2.215,88 45.391,89 16.493,90 41.103,91 24.475,92 0.297,93 1.98,94 38.819,95 14.832,96 37.93,97 21.547,98 0.392,99 1.964,100 41.067,101 15.073,102 48.829,103 22.118,104 26,105 54,106 0.217,107 0.544,108 0.772,109 0.878,110 0.883,111 0.883,112 3.532,113 0.961,114 -4.68,115 -4.6,116 -4.32,119 43.1,120 3,121 1,124 1,125 4,127 1,134 2,140 7,141 4,142 2,144 2,156 1,169 12,171 1,172 12,178 15,181 1,182 10,189 14,192 1,193 9,199 12,203 9,211 7,214 1,215 8,222 5,225 1,226 6,233 7,236 1,237 4,244 6,248 1,249 4,256 9,259 1793,260 22.223,261 22.223,262 22.223,263 22.223,264 22.223,265 19.92,266 28.494,267 12.676,268 22.582,269 18.193,270 18.193,271 18.193,272 18.193,273 18.193,274 14.582,275 39.313,276 5.951,277 18.762,278 4.655,279 2.588,280 1.149,281 0.477,282 0.446,283 0.446,284 4.239,289 1,290 963,291 2.915,295 443.539,299 297.003,302 1.983,303 18.879,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 435,316 4.553,317 3.675,318 6.821,319 4.2,320 3.219,321 4.474,322 1.2,323 11.215,324 3.162,325 4.549,326 3.32,327 6.701,328 4.119,329 3.152,330 4.225,331 0.8,332 10.882,333 3.052,334 3.969,335 3.197,336 6.156,337 3.771,338 2.827,339 3.277,340 0.8,341 8.833,342 2.669,343 3.917,344 3.019,345 6.068,346 3.657,347 2.678,348 3.256,349 0.293,350 8.68,351 2.606,352 3.693,353 2.675,354 5.729,355 3.389,356 2.446,357 2.838,359 7.692,360 2.306,361 3.38,362 2.543,363 5.314,364 3.013,365 2.046,366 2.645,368 6.117,369 2,370 3.361,371 2.256,372 4.972,373 2.989,374 1.98,375 2.613,377 5.754,378 1.966,379 3.219,380 2.003,381 4.743,382 2.82,383 1.825,384 2.427,386 4.929,387 1.811,388 3.031,389 1.712,390 4.583,391 2.582,392 1.607,393 2.255,395 4.555,396 1.565,397 2.789,398 1.616,399 4.235,400 2.492,401 1.516,402 1.853,404 3.877,405 1.476,406 2.67,407 1.498,408 4.02,409 2.382,410 1.404,411 1.633,413 3.416,414 1.369,415 2.471,416 1.463,417 3.987,418 2.231,419 1.256,420 1.454,422 3.191,423 1.221,424 2.25,425 1.156,426 3.398,427 1.855,428 0.876,429 1.162,431 2.065,432 0.856,433 1.957,434 0.909,435 3.347,436 1.72,437 0.74,438 0.866,440 1.792,441 0.723,442 1.847,443 0.779,444 2.977,445 1.357,446 0.348,447 0.449,449 0.815,450 0.348,451 15.933,452 0.483,453 0.925,454 0.028,455 41.5,456 1.258,457 20,458 0.606,459 21.5,460 0.652,461 33.131,462 1.004,463 35.067,464 0.539,465 31.222,466 0.946,467 8.012,468 0.243,469 7.907,470 0.24,471 0.146,473 0.389,479 0.754,480 1.412,481 0.858,482 1.133,483 0.611,484 1.023,485 1.038,486 1.058,487 0.858,488 0.843,489 0.53,490 0.823,491 1.234,492 1.006,493 1.057,494 0.957,495 0.827,496 0.975,497 0.979,498 1.155,499 1.173,500 1.212,501 1.024,502 1.215,503 0.647,504 1.068,505 0.971,506 1.082,507 0.58,508 1.06,509 0.866,510 0.896,511 0.948,512 0.909,513 0.658,514 0.926,515 0.907,516 1.115,517 1.106,518 1.146,519 0.853,520 1.144,521 1.047,522 1.045,523 1.121,524 1.075,525 1.152,526 1.103,527 6.5,528 0.174,529 5.111,530 2.688,531 2.409,532 1.257,533 0.972,534 0.488,535 0.373,536 0.265,537 16555,538 35795,539 2.112,540 49.2,541 3,542 21,546 3,547 5,550 1.749,551 1.96,552 3.626,553 -0.841,559 88.848,560 1.367,561 3.434,562 4.874,563 5.545,564 5.576,565 5.576,566 3.024,567 4.863,568 5.02,569 3.824,570 2019.25,571 8.772,572 30297.7,577 391.454,578 1.459,579 4.969,580 0.176,581 0.006,582 0.095,583 0.045,584 0.046,585 0.027,586 0.023,587 0.012,588 0.012,589 0.009,590 0.451,591 0.33,592 0.88,593 0.565,594 175.794,595 0.05,596 -0.232,597 0.081,598 -0.07,599 -0.027,600 -0.007,601 0.039,602 0.082,603 0.129,604 0.138,605 0.106,606 0.143,607 -0.123,608 0.106,609 -0.07,610 0.025,611 0.014,612 -0.007,613 -0.083,614 -0.142,615 -0.21,616 -0.195,617 -0.08,618 -0.214,619 0.03,620 -0.128,621 -0.008,622 -0.084,623 0.014,624 -0.056,625 -0.006,626 0.066,627 0.039,628 0.052,629 -0.01,630 0.052,631 -0.031,632 -0.127,633 -0.133,634 -0.156,635 -0.048,636 -0.155,637 -0.042,638 -0.1,639 -0.131,640 -0.106,641 -0.121,642 -0.126,643 1.624,644 5.07,645 0.788,646 32.444,647 0.986,648 1.123,649 3.451,650 11.908,651 0.664,652 3.638,653 4.007,654 4.331,655 4.605,656 4.883,657 4.977,658 5.094,659 5.176,660 5.298,661 5.333,662 7.646,663 0.618,664 440.64,665 3.638,666 5.209,667 6.089,668 6.987,669 7.88,670 8.782,671 9.678,672 10.58,673 11.479,674 12.38,675 6.2,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,714 65,716 19,717 2,718 37,720 69,721 28,722 15,723 7,724 5,725 3,730 5,731 7,736 3,740 1,743 2,745 18,746 10,750 2,755 1,757 2,759 1,764 32,765 5,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 4,827 33,833 5,837 1,838 3,847 1.5,850 1,854 16.833,855 13.05,856 7.083,857 4.118,858 3.9,859 1.459,860 1.003,861 5.881,862 12.396,863 3.882,864 4.5,865 5.116,866 5.697,867 6.28,868 6.562,869 6.886,870 7.171,871 7.467,872 7.372,873 0.889,874 60,875 12.236,877 5.205,878 7.495,879 24.189,881 20.515,883 1.995,884 65.833,888 376.675,889 158.364,890 26.158,892 25.145,895 158.364,896 401.82,897 26.158,898 34.872,899 14.082,900 85.286,901 46.635,902 28.793,904 376.675,906 376.675,907 184.523,908 25.145,911 317.82,912 84,915 48.582,916 100.202,917 35.738,919 376.675,920 51.303,921 158.364,924 376.675,925 38.206,926 129.531,928 41.93,929 376.675,930 51.303,931 158.364,933 0.596,934 0.362,935 0.194,936 0.109,937 28,938 13,939 0.058,940 4,941 2,942 1.154,943 4.342,944 318.517,945 0.154,946 26,947 164.465,951 21.973,952 8.832,953 4.13,954 2.309,955 51.303,956 14.984,957 4.714,961 7.209,964 586.343,965 47.5,970 12.07,972 3.685,974 0.042,975 64.105,976 73.015,977 0.227,978 0.57,979 0.809,980 0.921,981 0.926,982 0.926,983 5.155,984 1.825,985 6.098,986 5.754,987 4.691,988 5.187,989 1.758,990 6.956,991 4.632,992 6.371,993 1.607,994 7.692,995 4.929,996 4.369,997 5.066,998 0.766,999 7.945,1000 4.271,1001 7.691,1002 1.516,1003 9.385,1004 4.555,1005 6.337,1006 7.405,1007 1.696,1008 11.067,1009 6.214,1010 9.046,1011 1.404,1012 11.135,1013 3.877,1014 6.815,1015 8.108,1016 0.931,1017 12.867,1018 6.654,1019 10.433,1020 1.256,1021 12.921,1022 3.416,1023 8.271,1024 9.949,1025 1.83,1026 15.519,1027 8.087,1028 11.843,1029 0.876,1030 14.732,1031 3.191,1032 9.112,1033 11.052,1034 1.142,1035 17.655,1036 8.897,1037 13.271,1038 0.74,1039 16.56,1040 2.065,1041 10.371,1042 12.688,1043 2.038,1044 20.143,1045 10.135,1046 3.219,1047 0.348,1048 18.402,1049 1.792,1050 11.378,1051 13.988,1052 1.436,1053 22.425,1054 11.116,1055 3.152,1056 11.215,1057 20.255,1058 0.815,1059 12.562,1060 15.536,1061 2.286,1062 24.855,1063 12.278,1064 2.827,1065 10.882,1066 22.116,1067 4.474,1068 13.645,1069 16.93,1070 1.783,1071 27.201,1072 13.338,1073 2.678,1074 8.833,1075 23.984,1076 4.225,1077 14.802,1078 18.439,1079 2.561,1080 29.611,1081 14.474,1082 2.446,1083 8.68,1084 25.858,1085 3.277,1086 15.92,1087 19.879,1088 2.156,1089 31.987,1090 15.571,1091 2.046,1092 7.692,1093 27.737,1094 3.256,1095 17.069,1096 21.373,1097 2.856,1098 34.391,1099 16.7,1100 1.98,1101 6.117,1102 29.619,1103 2.838,1104 18.204,1105 22.835,1106 2.541,1107 36.781,1108 17.815,1109 15355,1110 22709,1111 24.679,1112 43.137,1113 56.801,1114 57.535,1115 58.535,1116 56.021,1117 55.936,1118 70.972,1119 6.186,1120 167.85,1121 54.355,1122 5.553,1123 5.675,1124 6.34,1125 5.268,1126 5.219,1127 7.474,1128 2.293,1129 18.696,1130 5.162,1131 17.297,1132 1.535,1133 1.555,1134 1.582,1135 1.514,1136 1.512,1137 1.918,1138 0.167,1139 4.536,1140 1.469,1141 4.104,1142 4.138,1143 4.06,1144 4.023,1145 7.429,1146 4.028,1147 4.027,1148 4.053,1149 3.985,1150 3.961,1151 4.984,1152 3.963,1153 3.82,1154 3.887,1155 3.717,1156 3.645,1157 4.747,1158 3.653,1159 3.593,1160 3.637,1161 3.514,1162 3.448,1163 4.45,1164 3.456,1165 3.518,1166 3.57,1167 3.416,1168 3.416,1169 4.313,1170 3.409,1171 3.345,1172 3.417,1173 3.191,1174 3.205,1175 4.203,1176 3.191,1177 3.271,1178 3.36,1179 3.064,1180 3.103,1181 4.004,1182 3.08,1183 3.193,1184 3.282,1185 3.014,1186 3.002,1187 3.959,1188 2.993,1189 0.123,1190 0.099,1191 0.184,1192 0.114,1193 0.087,1194 4.553,1195 0.121,1196 3.675,1197 0.032,1198 6.821,1199 0.303,1200 4.2,1201 0.085,1202 3.219,1203 4.474,1204 1.2,1205 11.215,1206 3.162,1207 2.049,1208 2.022,1209 2.131,1210 2.149,1211 1.387,1212 2.147,1213 2.004,1214 1.981,1215 2.096,1216 2.093,1217 1.291,1218 2.095,1219 1.782,1220 1.717,1221 1.974,1222 1.979,1223 1.192,1224 1.982,1225 1.556,1226 1.514,1227 1.751,1228 1.74,1229 0.941,1230 1.745,1231 1.522,1232 1.475,1233 1.733,1234 1.666,1235 0.899,1236 1.691,1237 1.362,1238 1.293,1239 1.663,1240 1.552,1241 0.808,1242 1.593,1243 1.299,1244 1.215,1245 1.619,1246 1.515,1247 0.784,1248 1.556,1249 1.199,1250 1.11,1251 1.535,1252 1.433,1253 0.595,1254 1.471,1255 4.317,1257 5.673,1259 7.236,1261 8.895,1263 10.603,1265 8.413,1271 5.076,1275 0.465,1276 6.865,1280 40.176,1281 88.848,1282 223.231,1283 316.783,1284 360.434,1285 362.434,1286 362.434,1287 47.482,1288 8.496,1289 41.37,1290 41.37,1291 30,1292 12.902,1293 4.322,1294 3.524,1295 48.062,1296 155,1297 143,1298 0.152,1299 244.288,1300 424.85,1301 587.824,1302 68930,1304 23.112,1305 0.7,1306 0.606,1307 23.112,1308 20.006,1309 15.919,1310 0.43,1311 0.32,1312 11.74,1313 15.48,1314 11.284,1315 9.374,1316 15.919,1317 11.858,1318 14.785,1319 0.274,1320 0.174,1321 14.785,1322 9.402,1323 13.144,1324 0.175,1325 0.097,1326 13.144,1327 7.256,1328 10.9,1329 0.11,1330 0.053,1331 10.9,1332 5.275,1333 9.161,1334 0.07,1335 0.029,1336 9.161,1337 3.767,1338 0.242,1339 98.27,1340 0.201,1341 30.741,1342 0.406,1343 182,1344 420.316,1345 193.512,1346 416.973,1347 591.14,1348 394,1349 220,1350 452.904,1351 232.707,1352 464.207,1353 683.6,1354 438,1355 7.7} {0 CHEMBL1289510,1 1.482,2 13.212,3 4.535,4 20.562,5 131.464,6 7.171,7 0.459,8 4.217,9 4.343,10 3.765,11 3.777,12 5.26,13 3.746,14 4.792,15 4.985,16 4.159,17 4.191,18 5.796,19 4.148,20 5.072,21 5.282,22 4.272,23 4.407,24 6.057,25 4.335,26 5.202,27 5.426,28 4.206,29 4.475,30 6.143,31 4.348,32 5.282,33 5.553,34 4.121,35 4.442,36 6.109,37 4.292,38 5.207,39 5.48,40 4.049,41 4.321,42 6.114,43 4.187,44 5.08,45 5.336,46 3.933,47 4.225,48 6.029,49 4.093,50 5.012,51 5.28,52 3.77,53 4.153,54 5.847,55 3.994,56 0.018,57 0.982,58 13.107,59 5.774,60 7.17,61 7.789,62 0.227,63 1.648,64 25.675,65 9.321,66 24.568,67 13.168,68 0.351,69 2.113,70 35.04,71 12.684,72 39.003,73 17.542,74 0.418,75 2.274,76 40.274,77 15.95,78 54.381,79 22.288,80 0.297,81 2.34,82 45.588,83 17.427,84 48.418,85 24.854,86 0.443,87 2.282,88 43.465,89 15.571,90 69.472,91 21.561,92 0.526,93 2.055,94 38.038,95 13.486,96 72.384,97 18.399,98 0.391,99 1.784,100 35.15,101 12.609,102 51.643,103 17.982,104 26,105 54,106 0.237,107 0.574,108 0.792,109 0.889,110 0.889,111 0.889,112 3.532,113 0.936,114 -4.85,115 -4.76,116 -4.47,119 43.5,120 2,121 1,124 1,125 4,127 1,134 2,140 7,141 3,142 3,144 2,156 1,169 9,171 1,172 12,178 13,181 1,182 8,189 10,192 1,193 9,199 10,203 7,211 4,214 1,215 7,222 4,225 1,226 5,233 6,236 1,237 3,244 5,248 1,249 4,256 8,259 1771,260 22.17,261 22.17,262 22.17,263 22.17,264 22.17,265 19.896,266 29.264,267 12.691,268 22.592,269 18.226,270 18.226,271 18.226,272 18.226,273 18.226,274 14.614,275 40.653,276 6.003,277 18.91,278 4.472,279 2.365,280 0.999,281 0.391,282 0.391,283 0.391,284 4.239,289 1,290 965,291 2.915,295 444.395,299 297.649,302 2.011,303 28.253,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70.5,315 436,316 4.583,317 3.671,318 6.743,319 4.15,320 3.182,321 4.51,322 1.2,323 10.972,324 3.098,325 4.489,326 3.354,327 6.72,328 4.142,329 3.168,330 4.12,331 0.8,332 10.929,333 3.073,334 3.931,335 3.11,336 6.081,337 3.772,338 2.832,339 3.287,340 0.8,341 8.795,342 2.659,343 3.836,344 3.022,345 5.93,346 3.534,347 2.551,348 3.116,349 0.293,350 8.101,351 2.501,352 3.72,353 2.729,354 5.737,355 3.389,356 2.442,357 2.972,359 7.721,360 2.309,361 3.538,362 2.667,363 5.051,364 3.15,365 2.215,366 2.78,368 6.056,369 2.061,370 3.315,371 2.414,372 5.028,373 2.922,374 1.956,375 2.577,377 5.662,378 1.901,379 3.288,380 2.2,381 4.963,382 2.888,383 1.887,384 2.516,386 5.55,387 1.854,388 2.989,389 1.719,390 4.583,391 2.588,392 1.605,393 2.13,395 4.554,396 1.577,397 2.876,398 1.614,399 4.361,400 2.495,401 1.527,402 1.969,404 4.075,405 1.472,406 2.65,407 1.575,408 4.172,409 2.429,410 1.457,411 1.62,413 3.72,414 1.412,415 2.473,416 1.427,417 3.724,418 2.193,419 1.212,420 1.456,422 2.763,423 1.186,424 2.319,425 1.106,426 3.652,427 1.937,428 0.969,429 1.265,431 2.497,432 0.934,433 1.847,434 0.949,435 3.282,436 1.646,437 0.672,438 0.753,440 1.639,441 0.653,442 1.818,443 0.78,444 2.876,445 1.28,446 0.26,447 0.361,449 0.584,450 0.262,451 15.719,452 0.476,453 0.942,454 0.029,455 41.75,456 1.265,457 20,458 0.606,459 21.75,460 0.659,461 31.768,462 0.963,463 35.281,464 0.569,465 32.405,466 0.982,467 8.159,468 0.247,469 7.743,470 0.235,471 0.135,473 0.394,477 1,479 0.625,480 1.275,481 0.782,482 1.119,483 0.523,484 1,485 0.822,486 1.028,487 0.823,488 0.87,489 0.49,490 0.835,491 1.075,492 0.962,493 1.041,494 0.94,495 0.833,496 0.963,497 0.674,498 0.988,499 1.071,500 1.184,501 0.723,502 1.194,503 0.641,504 1.003,505 0.911,506 1.06,507 0.586,508 1.034,509 1.134,510 1.075,511 1.011,512 0.991,513 1.121,514 0.984,515 1.333,516 1.072,517 1.186,518 1.042,519 1.4,520 1.085,521 0.912,522 0.972,523 1.127,524 1.057,525 0.856,526 1.109,527 7,528 0.157,529 4.667,530 2.563,531 2.489,532 1.313,533 0.87,534 0.531,535 0.377,536 0.245,537 16647,538 40889,539 2.112,540 46.8,542 21,546 3,547 5,550 1.749,551 1.96,552 3.626,553 -0.811,559 91.897,560 1.482,561 3.589,562 4.956,563 5.563,564 5.563,565 5.563,566 3.024,567 4.984,568 5.02,569 3.832,570 2023.44,571 8.77,572 30483.8,574 1,577 369.16,578 1.459,579 4.969,580 0.189,581 0.006,582 0.086,583 0.043,584 0.048,585 0.028,586 0.02,587 0.014,588 0.012,589 0.009,590 0.456,591 0.33,592 0.88,593 0.565,594 176,595 0.009,596 -0.2,597 0.071,598 -0.073,599 -0.023,600 -0.01,601 -0.003,602 0.008,603 0.105,604 0.1,605 0.081,606 0.119,607 -0.127,608 0.085,609 -0.09,610 0.031,611 -0.033,612 -0.008,613 0.07,614 -0.069,615 -0.14,616 -0.179,617 0.017,618 -0.194,619 0.036,620 -0.128,621 0.049,622 -0.067,623 0.037,624 -0.019,625 -0.046,626 -0.034,627 0.005,628 -0.011,629 -0.05,630 0.002,631 -0.091,632 0.036,633 -0.165,634 -0.06,635 -0.142,636 -0.114,637 -0.059,638 -0.037,639 -0.147,640 -0.087,641 -0.083,642 -0.122,643 1.906,644 6.349,645 0.788,646 32.828,647 0.996,648 1.128,649 3.62,650 13.105,651 0.666,652 3.638,653 4.007,654 4.317,655 4.605,656 4.89,657 4.977,658 5.081,659 5.204,660 5.308,661 5.323,662 7.702,663 0.63,664 444.6,665 3.638,666 5.209,667 6.084,668 6.984,669 7.874,670 8.775,671 9.669,672 10.571,673 11.468,674 12.37,675 6.5,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,713 1,714 62,716 19,717 2,718 37,720 66,721 27,722 15,723 7,724 5,725 3,730 5,731 7,736 2,740 1,743 2,745 18,746 9,750 2,755 1,757 2,759 1,762 1,764 29,765 6,767 6,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 3,825 1,827 33,833 5,837 1,838 3,846 1,847 1.6,850 1,854 16.833,855 12.193,856 7.056,857 3.897,858 3.898,859 1.459,860 1.008,861 5.839,862 12.4,863 3.882,864 4.5,865 5.107,866 5.703,867 6.293,868 6.589,869 6.893,870 7.229,871 7.493,872 7.415,873 0.889,874 59,875 12.274,877 5.313,878 7.677,879 23.835,881 20.236,883 2.177,884 71.833,888 341.362,889 155.475,890 26.158,892 25.145,893 14.96,895 155.475,896 366.507,897 41.119,898 26.047,899 14.082,900 85.286,901 46.635,902 34.728,903 14.96,904 341.362,906 341.362,907 181.633,908 40.105,911 297.467,912 84,915 39.757,916 106.138,917 35.738,919 356.322,920 51.303,921 155.475,924 341.362,925 44.142,926 120.706,928 56.891,929 341.362,930 66.264,931 155.475,933 0.596,934 0.357,935 0.194,936 0.112,937 28,938 13,939 0.061,940 4,941 2,942 1.154,943 4.352,944 317.742,945 0.154,946 26,947 166.465,951 21.912,952 8.794,953 4.225,954 1.717,955 66.264,956 13.389,957 4.527,961 4.954,964 563.1,965 47.5,970 11.982,972 3.589,974 0.014,975 61.734,976 69.94,977 0.249,978 0.603,979 0.832,980 0.934,981 0.934,982 0.934,983 5.155,984 1.887,985 6.094,986 5.662,987 4.691,988 5.187,989 1.758,990 6.944,991 4.621,992 6.371,993 1.605,994 7.681,995 5.55,996 4.369,997 5.066,998 0.766,999 7.906,1000 4.246,1001 7.689,1002 1.527,1003 9.366,1004 4.554,1005 6.33,1006 7.399,1007 1.696,1008 11.027,1009 6.188,1010 9.04,1011 1.457,1012 11.107,1013 4.075,1014 6.792,1015 8.088,1016 0.931,1017 12.799,1018 6.603,1019 10.423,1020 1.212,1021 12.883,1022 3.72,1023 8.249,1024 9.932,1025 1.83,1026 15.45,1027 8.04,1028 11.828,1029 0.969,1030 14.685,1031 2.763,1032 9.075,1033 11.022,1034 1.142,1035 17.567,1036 8.827,1037 13.251,1038 0.672,1039 16.505,1040 2.497,1041 10.335,1042 12.663,1043 2.038,1044 20.052,1045 10.064,1046 3.182,1047 0.26,1048 18.339,1049 1.639,1050 11.332,1051 13.957,1052 1.436,1053 22.32,1054 11.028,1055 3.168,1056 10.972,1057 20.184,1058 0.584,1059 12.514,1060 15.509,1061 2.286,1062 24.743,1063 12.187,1064 2.832,1065 10.929,1066 22.039,1067 4.51,1068 13.591,1069 16.904,1070 1.783,1071 27.079,1072 13.233,1073 2.551,1074 8.795,1075 23.9,1076 4.12,1077 14.745,1078 18.418,1079 2.561,1080 29.48,1081 14.363,1082 2.442,1083 8.101,1084 25.768,1085 3.287,1086 15.858,1087 19.862,1088 2.156,1089 31.845,1090 15.448,1091 2.215,1092 7.721,1093 27.641,1094 3.116,1095 17.004,1096 21.361,1097 2.856,1098 34.239,1099 16.569,1100 1.956,1101 6.056,1102 29.519,1103 2.972,1104 18.135,1105 22.829,1106 2.541,1107 36.619,1108 17.672,1109 15444,1110 24348,1111 24.679,1112 41.313,1113 56.83,1114 57.558,1115 58.324,1116 56.022,1117 55.872,1118 70.866,1119 6.186,1120 167.241,1121 53.905,1122 5.583,1123 5.671,1124 6.272,1125 5.218,1126 5.182,1127 7.51,1128 2.293,1129 18.322,1130 5.098,1131 17.388,1132 1.536,1133 1.556,1134 1.576,1135 1.514,1136 1.51,1137 1.915,1138 0.167,1139 4.52,1140 1.457,1141 4.105,1142 4.138,1143 4.069,1144 4.02,1145 8.201,1146 4.028,1147 4.016,1148 4.043,1149 3.971,1150 3.945,1151 7.429,1152 3.947,1153 3.821,1154 3.886,1155 3.718,1156 3.645,1157 4.949,1158 3.653,1159 3.564,1160 3.611,1161 3.484,1162 3.427,1163 4.756,1164 3.431,1165 3.523,1166 3.568,1167 3.445,1168 3.397,1169 4.422,1170 3.402,1171 3.334,1172 3.4,1173 3.197,1174 3.199,1175 4.219,1176 3.186,1177 3.273,1178 3.362,1179 3.076,1180 3.103,1181 4.177,1182 3.081,1183 3.189,1184 3.281,1185 3.011,1186 2.985,1187 3.987,1188 2.981,1189 0.124,1190 0.099,1191 0.182,1192 0.112,1193 0.086,1194 4.583,1195 0.122,1196 3.671,1197 0.032,1198 6.743,1199 0.297,1200 4.15,1201 0.084,1202 3.182,1203 4.51,1204 1.2,1205 10.972,1206 3.098,1207 2.045,1208 2.02,1209 2.12,1210 2.15,1211 1.381,1212 2.143,1213 1.989,1214 1.965,1215 2.083,1216 2.084,1217 1.266,1218 2.085,1219 1.782,1220 1.717,1221 1.971,1222 1.978,1223 1.183,1224 1.98,1225 1.532,1226 1.487,1227 1.731,1228 1.714,1229 0.94,1230 1.72,1231 1.499,1232 1.457,1233 1.706,1234 1.659,1235 0.899,1236 1.674,1237 1.346,1238 1.283,1239 1.639,1240 1.529,1241 0.795,1242 1.572,1243 1.297,1244 1.214,1245 1.583,1246 1.508,1247 0.677,1248 1.537,1249 1.191,1250 1.096,1251 1.532,1252 1.433,1253 0.575,1254 1.471,1255 4.317,1257 5.673,1259 7.232,1261 8.887,1263 10.59,1265 5.992,1267 14.349,1271 4.479,1275 0.342,1276 6.498,1280 39.032,1281 91.897,1282 222.541,1283 307.244,1284 344.896,1285 344.896,1286 344.896,1287 55.808,1288 8.501,1289 41.37,1290 41.37,1291 30,1292 12.891,1293 4.322,1294 3.524,1295 48.079,1296 157,1297 134,1298 0.151,1299 235.894,1300 413.62,1301 567.342,1302 69286,1303 1.6,1304 23.112,1305 0.7,1306 0.587,1307 22.242,1308 19.384,1309 15.902,1310 0.43,1311 0.312,1312 11.398,1313 15.345,1314 11.03,1315 9.116,1316 15.508,1317 11.541,1318 14.903,1319 0.276,1320 0.169,1321 14.257,1322 9.106,1323 12.93,1324 0.175,1325 0.094,1326 12.663,1327 6.921,1328 10.892,1329 0.11,1330 0.051,1331 10.574,1332 5.044,1333 9.264,1334 0.07,1335 0.028,1336 8.923,1337 3.64,1338 0.24,1339 99.035,1340 0.201,1341 30.773,1342 0.402,1343 182,1344 506.427,1345 197.343,1346 470.623,1347 649.5,1348 442,1349 219,1350 485.237,1351 234.617,1352 488.737,1353 719.33,1354 461,1355 8.9} {0 CHEMBL1289617,1 1.466,2 13.235,3 5.021,4 25.207,5 136.505,6 7.056,7 0.447,8 4.259,9 4.387,10 3.792,11 3.817,12 5.291,13 3.781,14 4.837,15 5.036,16 4.192,17 4.233,18 5.825,19 4.186,20 5.108,21 5.314,22 4.318,23 4.459,24 6.09,25 4.386,26 5.263,27 5.485,28 4.261,29 4.546,30 6.192,31 4.416,32 5.364,33 5.636,34 4.185,35 4.52,36 6.175,37 4.364,38 5.299,39 5.579,40 4.127,41 4.405,42 6.175,43 4.27,44 5.166,45 5.412,46 4.034,47 4.343,48 6.115,49 4.207,50 5.186,51 5.463,52 3.833,53 4.279,54 6.013,55 4.1,56 0.026,57 1.022,58 14.036,59 6.119,60 7.872,61 8.335,62 0.241,63 1.712,64 27.341,65 9.9,66 25.817,67 14.129,68 0.353,69 2.197,70 36.496,71 13.34,72 39.07,73 18.557,74 0.428,75 2.414,76 42.938,77 17.139,78 54.908,79 24.031,80 0.304,81 2.519,82 49.413,83 18.989,84 50.765,85 27.228,86 0.517,87 2.471,88 47.866,89 16.64,90 70.037,91 23.432,92 0.505,93 2.238,94 40.888,95 14.966,96 70.158,97 20.505,98 0.469,99 2.039,100 42.325,101 15.122,102 67.088,103 21.686,104 37,105 56,106 0.232,107 0.565,108 0.787,109 0.883,110 0.883,111 0.883,112 3.561,113 0.944,114 -5.05,115 -4.95,116 -4.63,119 43.1,120 3,121 1,124 1,125 4,127 1,134 2,140 6,141 4,142 3,144 2,156 1,169 10,171 1,172 12,178 15,181 1,182 8,189 13,192 1,193 9,199 11,203 9,211 5,214 1,215 7,222 4,225 1,226 6,233 7,236 1,237 4,244 5,248 1,249 4,256 8,259 1920,260 22.67,261 22.67,262 22.67,263 22.67,264 22.67,265 20.343,266 30.122,267 12.865,268 23.092,269 18.693,270 18.693,271 18.693,272 18.693,273 18.693,274 15.001,275 41.262,276 6.074,277 19.377,278 4.557,279 2.455,280 1.054,281 0.446,282 0.446,283 0.446,284 4.265,289 1,290 992,291 3,295 458.191,299 307.374,302 1.972,303 28.793,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 72.5,315 450,316 4.583,317 3.675,318 6.821,319 4.201,320 3.219,321 4.51,322 1.2,323 11.215,324 3.162,325 4.549,326 3.355,327 6.72,328 4.145,329 3.179,330 4.225,331 0.8,332 10.972,333 3.073,334 3.969,335 3.202,336 6.156,337 3.776,338 2.834,339 3.288,340 0.8,341 8.841,342 2.67,343 3.917,344 3.058,345 6.07,346 3.657,347 2.679,348 3.276,349 0.293,350 8.687,351 2.606,352 3.723,353 2.729,354 5.737,355 3.392,356 2.448,357 2.973,359 7.728,360 2.311,361 3.538,362 2.667,363 5.314,364 3.15,365 2.215,366 2.781,368 6.118,369 2.061,370 3.375,371 2.543,372 5.029,373 2.993,374 1.982,375 2.619,377 6.055,378 1.997,379 3.304,380 2.204,381 4.964,382 2.913,383 1.953,384 2.57,386 5.653,387 1.862,388 3.219,389 2.002,390 4.743,391 2.819,392 1.825,393 2.426,395 4.929,396 1.81,397 2.883,398 1.71,399 4.582,400 2.538,401 1.574,402 1.973,404 4.554,405 1.513,406 2.682,407 1.594,408 4.216,409 2.45,410 1.482,411 1.643,413 3.823,414 1.43,415 2.475,416 1.495,417 3.99,418 2.237,419 1.261,420 1.456,422 3.194,423 1.227,424 2.319,425 1.163,426 3.724,427 1.942,428 0.972,429 1.267,431 2.5,432 0.938,433 1.957,434 1.089,435 3.377,436 1.741,437 0.762,438 0.87,440 1.843,441 0.744,442 1.847,443 0.799,444 2.99,445 1.357,446 0.348,447 0.449,449 0.818,450 0.348,451 16.219,452 0.477,453 1.031,454 0.03,455 42.25,456 1.243,457 20,458 0.588,459 22.25,460 0.654,461 34.822,462 1.024,463 36.581,464 0.563,465 33.173,466 0.976,467 8.215,468 0.242,469 8.097,470 0.238,471 0.161,473 0.413,477 1,479 0.626,480 1.282,481 0.8,482 1.132,483 0.531,484 1.015,485 0.814,486 1.007,487 0.799,488 0.844,489 0.483,490 0.809,491 1.079,492 0.978,493 1.048,494 0.957,495 0.839,496 0.977,497 0.666,498 1.011,499 1.088,500 1.208,501 0.716,502 1.216,503 0.609,504 1.033,505 0.904,506 1.082,507 0.566,508 1.047,509 1.159,510 1.003,511 0.996,512 0.913,513 1.078,514 0.922,515 1.268,516 1.131,517 1.219,518 1.143,519 1.321,520 1.171,521 0.953,522 0.968,523 1.136,524 1.071,525 0.986,526 1.121,527 7.5,528 0.174,529 5.111,530 2.875,531 2.76,532 1.451,533 1.073,534 0.547,535 0.397,536 0.265,537 17620,538 42440,539 2.091,540 47.7,541 3,542 20,546 3,547 5,550 1.758,551 1.925,552 3.619,553 -0.817,559 95.268,560 1.466,561 3.568,562 4.968,563 5.576,564 5.576,565 5.576,566 3.005,567 4.653,568 5.064,569 3.831,570 2148.92,571 8.862,572 32913.9,577 391.454,578 1.496,579 5.004,580 0.197,581 0.006,582 0.091,583 0.046,584 0.05,585 0.029,586 0.023,587 0.013,588 0.012,589 0.009,590 0.477,591 0.33,592 0.88,593 0.591,594 182.582,595 0.012,596 -0.195,597 0.071,598 -0.07,599 -0.027,600 -0.008,601 0.009,602 0.032,603 0.14,604 0.135,605 0.09,606 0.155,607 -0.126,608 0.085,609 -0.094,610 0.026,611 -0.035,612 -0.014,613 0.066,614 -0.079,615 -0.158,616 -0.194,617 0.013,618 -0.211,619 0.049,620 -0.159,621 0.05,622 -0.088,623 0.039,624 -0.033,625 -0.062,626 0.034,627 0.022,628 0.052,629 -0.048,630 0.052,631 -0.08,632 -0.021,633 -0.216,634 -0.149,635 -0.115,636 -0.193,637 -0.064,638 -0.072,639 -0.151,640 -0.104,641 -0.104,642 -0.136,643 1.906,644 6.387,645 0.765,646 33.619,647 0.994,648 1.129,649 3.817,650 14.569,651 0.663,652 3.664,653 4.043,654 4.357,655 4.644,656 4.934,657 5.043,658 5.147,659 5.247,660 5.352,661 5.375,662 7.724,663 0.624,664 458.63,665 3.664,666 5.242,667 6.12,668 7.024,669 7.918,670 8.823,671 9.722,672 10.628,673 11.529,674 12.435,675 6.2,678 1,681 1,682 1,685 1,687 2,688 6,689 1,693 7,695 17,709 1,713 1,714 65,716 19,717 2,718 38,720 69,721 28,722 15,723 8,724 4,725 3,730 5,731 7,736 3,740 1,743 2,745 18,746 10,750 2,755 1,757 2,759 1,762 1,764 31,765 6,767 6,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 4,825 1,827 34,833 5,837 1,838 3,846 1,847 1.5,850 1,854 17.667,855 13.11,856 7.25,857 4.098,858 3.906,859 1.456,860 1.003,861 6.075,862 12.471,863 3.902,864 4.533,865 5.143,866 5.737,867 6.334,868 6.644,869 6.948,870 7.26,871 7.525,872 7.449,873 0.889,874 62,875 12.65,877 5.463,878 7.662,879 24.61,881 20.884,883 2.162,884 73.5,888 364.904,889 158.009,890 26.158,892 25.145,893 14.96,895 158.009,896 390.049,897 41.119,898 34.872,899 14.082,900 75.81,901 46.635,902 37.914,903 14.96,904 364.904,906 364.904,907 184.168,908 40.105,911 321.009,912 84,915 48.582,916 99.847,917 35.738,919 379.864,920 51.303,921 158.009,924 364.904,925 47.327,926 120.055,928 56.891,929 364.904,930 66.264,931 158.009,933 0.599,934 0.36,935 0.194,936 0.112,937 29,938 14,939 0.058,940 4,941 2,942 1.154,943 4.377,944 333.254,945 0.154,946 26,947 172.974,951 22.862,952 9.035,953 4.331,954 1.718,955 66.264,956 11.366,957 4.535,961 6.282,964 589.177,965 48.5,970 12.067,972 3.624,974 0.016,975 64.618,976 73.355,977 0.243,978 0.592,979 0.825,980 0.926,981 0.926,982 0.926,983 5.183,984 1.953,985 6.138,986 6.055,987 4.727,988 5.22,989 1.758,990 6.999,991 4.659,992 6.407,993 1.825,994 7.734,995 5.653,996 4.443,997 5.147,998 0.766,999 7.982,1000 4.328,1001 7.734,1002 1.574,1003 9.427,1004 4.929,1005 6.378,1006 7.447,1007 1.696,1008 11.105,1009 6.244,1010 9.092,1011 1.482,1012 11.175,1013 4.554,1014 6.868,1015 8.172,1016 0.931,1017 12.892,1018 6.693,1019 10.481,1020 1.261,1021 12.958,1022 3.823,1023 8.311,1024 9.995,1025 1.83,1026 15.55,1027 8.116,1028 11.891,1029 0.972,1030 14.765,1031 3.194,1032 9.155,1033 11.108,1034 1.142,1035 17.68,1036 8.928,1037 13.32,1038 0.762,1039 16.59,1040 2.5,1041 10.41,1042 12.737,1043 2.038,1044 20.174,1045 10.162,1046 3.219,1047 0.348,1048 18.429,1049 1.843,1050 11.42,1051 14.044,1052 1.436,1053 22.455,1054 11.145,1055 3.179,1056 11.215,1057 20.28,1058 0.818,1059 12.603,1060 15.592,1061 2.286,1062 24.89,1063 12.307,1064 2.834,1065 10.972,1066 22.139,1067 4.51,1068 13.689,1069 16.993,1070 1.783,1071 27.238,1072 13.37,1073 2.679,1074 8.841,1075 24.006,1076 4.225,1077 14.847,1078 18.506,1079 2.561,1080 29.651,1081 14.507,1082 2.448,1083 8.687,1084 25.879,1085 3.288,1086 15.968,1087 19.953,1088 2.156,1089 32.03,1090 15.606,1091 2.215,1092 7.728,1093 27.757,1094 3.276,1095 17.12,1096 21.452,1097 2.856,1098 34.437,1099 16.737,1100 1.982,1101 6.118,1102 29.639,1103 2.973,1104 18.258,1105 22.921,1106 2.541,1107 36.83,1108 17.853,1109 16419,1110 25634,1111 25.085,1112 43.074,1113 58.455,1114 59.434,1115 60.448,1116 57.725,1117 57.57,1118 72.773,1119 6.186,1120 174.094,1121 55.603,1122 5.583,1123 5.675,1124 6.159,1125 5.268,1126 5.219,1127 7.51,1128 2.293,1129 18.696,1130 5.162,1131 19.313,1132 1.538,1133 1.564,1134 1.591,1135 1.519,1136 1.515,1137 1.915,1138 0.163,1139 4.581,1140 1.463,1141 4.107,1142 4.141,1143 4.07,1144 4.023,1145 8.201,1146 4.03,1147 4.027,1148 4.054,1149 3.986,1150 3.961,1151 7.429,1152 3.964,1153 3.821,1154 3.887,1155 3.718,1156 3.645,1157 4.949,1158 3.653,1159 3.593,1160 3.637,1161 3.514,1162 3.448,1163 4.747,1164 3.457,1165 3.53,1166 3.579,1167 3.452,1168 3.415,1169 4.422,1170 3.415,1171 3.347,1172 3.419,1173 3.202,1174 3.205,1175 4.221,1176 3.191,1177 3.273,1178 3.362,1179 3.076,1180 3.103,1181 4.198,1182 3.081,1183 3.194,1184 3.282,1185 3.016,1186 3.002,1187 3.993,1188 2.995,1189 0.121,1190 0.097,1191 0.18,1192 0.111,1193 0.085,1194 4.583,1195 0.119,1196 3.675,1197 0.032,1198 6.821,1199 0.295,1200 4.201,1201 0.083,1202 3.219,1203 4.51,1204 1.2,1205 11.215,1206 3.162,1207 2.045,1208 2.02,1209 2.121,1210 2.15,1211 1.387,1212 2.143,1213 2.004,1214 1.981,1215 2.094,1216 2.093,1217 1.29,1218 2.094,1219 1.782,1220 1.717,1221 1.973,1222 1.979,1223 1.188,1224 1.981,1225 1.555,1226 1.513,1227 1.749,1228 1.74,1229 0.941,1230 1.745,1231 1.513,1232 1.469,1233 1.714,1234 1.668,1235 0.899,1236 1.683,1237 1.362,1238 1.293,1239 1.663,1240 1.552,1241 0.799,1242 1.593,1243 1.297,1244 1.214,1245 1.614,1246 1.515,1247 0.781,1248 1.554,1249 1.198,1250 1.109,1251 1.535,1252 1.433,1253 0.595,1254 1.471,1255 4.344,1257 5.707,1259 7.272,1261 8.932,1263 10.642,1265 8.155,1267 14.387,1271 4.482,1275 0.338,1276 6.53,1280 40.559,1281 95.268,1282 231.902,1283 322.925,1284 362.434,1285 362.434,1286 362.434,1287 59.044,1288 8.564,1289 41.37,1290 41.37,1291 30,1292 12.954,1293 4.322,1294 3.524,1295 50.208,1296 162,1297 142,1298 0.152,1299 245.487,1300 430.92,1301 590.748,1302 74289,1303 1.5,1304 23.982,1305 0.705,1306 0.597,1307 23.112,1308 20.307,1309 16.313,1310 0.429,1311 0.315,1312 11.815,1313 15.756,1314 11.377,1315 9.425,1316 15.919,1317 11.957,1318 15.43,1319 0.276,1320 0.171,1321 14.785,1322 9.55,1323 13.411,1324 0.174,1325 0.095,1326 13.144,1327 7.297,1328 11.219,1329 0.109,1330 0.051,1331 10.9,1332 5.304,1333 9.502,1334 0.069,1335 0.028,1336 9.161,1337 3.799,1338 0.242,1339 101.499,1340 0.2,1341 31.436,1342 0.408,1343 188,1344 514.427,1345 203.343,1346 479.196,1347 662.53,1348 450,1349 227,1350 496.237,1351 242.617,1352 500.995,1353 737.5,1354 472,1355 6} {0 CHEMBL1289618,1 1.367,2 13.061,3 4.534,4 20.557,5 135.885,6 6.779,7 0.459,8 4.252,9 4.383,10 3.758,11 3.818,12 5.243,13 3.772,14 4.829,15 5.03,16 4.162,17 4.24,18 5.75,19 4.183,20 5.118,21 5.324,22 4.284,23 4.477,24 6.035,25 4.389,26 5.311,27 5.553,28 4.191,29 4.563,30 6.128,31 4.414,32 5.367,33 5.646,34 4.086,35 4.535,36 6.09,37 4.354,38 5.286,39 5.574,40 4.03,41 4.432,42 6.016,43 4.261,44 5.156,45 5.414,46 3.99,47 4.369,48 5.954,49 4.212,50 5.16,51 5.433,52 3.856,53 4.313,54 5.924,55 4.132,56 0.055,57 0.95,58 14.656,59 6.087,60 10,61 8.606,62 0.253,63 1.62,64 27.693,65 9.856,66 24.098,67 14.541,68 0.336,69 2.111,70 37.257,71 13.334,72 35.259,73 19.423,74 0.356,75 2.368,76 45.781,77 17.837,78 46.057,79 25.623,80 0.312,81 2.407,82 49.007,83 19.216,84 43.619,85 28.062,86 0.347,87 2.219,88 45.584,89 17.257,90 44.534,91 25.378,92 0.307,93 2.014,94 39.48,95 15.099,96 41.269,97 21.946,98 0.358,99 1.988,100 40.013,101 14.787,102 43.38,103 21.847,104 26,105 55,106 0.217,107 0.541,108 0.752,109 0.854,110 0.864,111 0.864,112 3.532,113 0.955,114 -4.68,115 -4.6,116 -4.32,119 43.1,120 3,121 1,124 1,125 4,129 1,134 2,140 8,141 3,142 2,144 2,156 1,169 11,171 1,172 13,178 14,181 1,182 11,189 11,192 1,193 9,199 12,203 7,211 9,214 1,215 8,222 9,225 1,226 6,233 10,236 1,237 4,244 8,248 1,249 4,256 10,259 1808,260 22.04,261 22.04,262 22.04,263 22.04,264 22.04,265 19.79,266 29.218,267 12.535,268 22.39,269 18.22,270 18.22,271 18.22,272 18.22,273 18.22,274 14.69,275 44.739,276 5.886,277 18.782,278 4.655,279 2.605,280 1.277,281 0.631,282 0.57,283 0.57,284 4.238,289 1,290 955,291 3.24,295 444.535,299 296.57,302 2.059,303 19.351,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 431,316 4.567,317 3.671,318 7.317,319 4.374,320 3.419,321 4.474,322 1.2,323 12.559,324 3.264,325 4.49,326 3.62,327 6.743,328 4.145,329 3.169,330 4.12,331 0.8,332 10.929,333 3.096,334 4.379,335 3.201,336 6.684,337 4.069,338 3.096,339 3.426,340 0.8,341 10.795,342 3.015,343 3.836,344 3.056,345 5.934,346 3.539,347 2.553,348 3.2,349 0.293,350 8.106,351 2.509,352 3.794,353 2.698,354 5.781,355 3.439,356 2.494,357 3.111,359 7.864,360 2.353,361 3.384,362 2.436,363 5.068,364 3.02,365 2.053,366 2.688,368 5.779,369 1.982,370 3.307,371 2.256,372 4.995,373 2.931,374 1.934,375 2.531,377 5.625,378 1.923,379 3.035,380 2.022,381 4.867,382 2.742,383 1.781,384 2.262,386 5.168,387 1.704,388 2.996,389 1.658,390 4.561,391 2.581,392 1.601,393 2.132,395 4.497,396 1.567,397 2.825,398 1.626,399 4.342,400 2.537,401 1.545,402 1.859,404 4.018,405 1.53,406 2.779,407 1.475,408 4.051,409 2.395,410 1.414,411 1.83,413 3.466,414 1.384,415 2.611,416 1.427,417 3.653,418 2.192,419 1.211,420 1.56,422 2.759,423 1.185,424 2.251,425 0.967,426 3.382,427 1.84,428 0.862,429 1.161,431 2.044,432 0.841,433 1.849,434 0.907,435 3.342,436 1.645,437 0.671,438 0.76,440 1.646,441 0.652,442 1.821,443 0.767,444 2.964,445 1.285,446 0.269,447 0.366,449 0.612,450 0.269,451 15.933,452 0.483,453 1.013,454 0.031,455 41.5,456 1.258,457 20,458 0.606,459 21.5,460 0.652,461 33.658,462 1.02,463 35.067,464 0.539,465 31.445,466 0.953,467 7.937,468 0.241,469 7.895,470 0.239,471 0.146,472 0.031,473 0.326,479 0.754,480 1.412,481 0.858,482 1.133,483 0.624,484 1.023,485 1.02,486 1.084,487 0.838,488 0.847,489 0.521,490 0.817,491 1.298,492 1.066,493 1.124,494 1.013,495 0.844,496 1.034,497 0.991,498 1.075,499 1.124,500 1.126,501 0.968,502 1.138,503 0.657,504 1.017,505 0.972,506 1.054,507 0.574,508 1.043,509 0.716,510 0.918,511 0.905,512 0.938,513 0.627,514 0.936,515 0.899,516 1.084,517 1.071,518 1.096,519 0.882,520 1.1,521 0.887,522 1.067,523 1.126,524 1.098,525 0.799,526 1.125,527 7.5,528 0.14,529 5.333,530 2.813,531 2.489,532 1.396,533 1.034,534 0.632,535 0.463,536 0.281,537 16359,538 35555,539 2.105,540 49.2,542 21,546 3,547 8,550 1.75,551 1.951,552 3.611,553 -0.841,559 88.848,560 1.367,561 3.417,562 4.745,563 5.391,564 5.453,565 5.453,566 3.04,567 4.923,568 5.019,569 3.815,570 2014.27,571 8.774,572 29935.8,577 391.454,578 1.6,579 4.962,580 0.203,581 0.005,582 0.097,583 0.047,584 0.048,585 0.03,586 0.024,587 0.015,588 0.013,589 0.009,590 0.491,591 0.33,592 0.88,593 0.565,594 175.358,595 0.05,596 -0.232,597 0.081,598 -0.07,599 -0.038,600 -0.007,601 0.056,602 0.058,603 0.149,604 0.136,605 0.119,606 0.15,607 -0.152,608 0.06,609 -0.135,610 -0.036,611 -0.012,612 -0.073,613 -0.079,614 -0.076,615 -0.154,616 -0.124,617 -0.058,618 -0.144,619 0.015,620 -0.079,621 -0.009,622 -0.057,623 0.017,624 -0.038,625 0.046,626 0.024,627 0.072,628 0.041,629 0.019,630 0.056,631 -0.034,632 -0.098,633 -0.097,634 -0.106,635 -0.078,636 -0.109,637 -0.03,638 -0.09,639 -0.147,640 -0.126,641 -0.09,642 -0.144,643 1.629,644 5.027,645 0.788,646 33.188,647 0.986,648 1.123,649 3.451,650 11.908,651 0.664,652 3.638,653 4.025,654 4.331,655 4.605,656 4.875,657 4.963,658 5.088,659 5.198,660 5.338,661 5.361,662 7.55,663 0.618,664 440.64,665 3.638,666 5.22,667 6.098,668 7.006,669 7.898,670 8.806,671 9.703,672 10.611,673 11.51,674 12.418,675 6.2,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,714 65,716 19,717 2,718 37,720 69,721 28,722 15,723 6,724 6,725 3,730 5,731 7,736 3,741 1,743 1,745 18,746 10,747 1,750 2,755 1,757 2,759 1,764 32,765 5,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 4,827 33,833 5,838 3,839 1,847 1.5,850 1,854 16.917,855 13.05,856 6.986,857 4.025,858 3.862,859 1.456,860 0.992,861 5.658,862 12.331,863 3.882,864 4.5,865 5.098,866 5.675,867 6.248,868 6.521,869 6.853,870 7.168,871 7.48,872 7.401,873 0.889,874 60,875 12.234,877 5.227,878 7.503,879 24.15,881 20.563,883 2.003,884 66.083,888 376.675,889 164.655,890 26.158,892 25.145,895 164.655,896 401.82,897 26.158,898 34.872,899 14.082,900 94.762,901 46.635,902 25.607,904 376.675,906 376.675,907 190.813,908 25.145,911 282.506,912 119.314,915 48.582,916 106.493,917 35.738,919 376.675,920 51.303,921 164.655,924 376.675,925 35.02,926 139.007,928 41.93,929 376.675,930 51.303,931 164.655,933 0.601,934 0.36,935 0.191,936 0.106,937 29,938 13,939 0.058,940 4,941 2,942 1.154,943 4.317,944 320.631,945 0.154,946 26,947 162.465,951 21.973,952 8.497,953 4.13,954 2.298,955 51.303,956 17.06,957 4.724,961 5.816,964 592.634,965 47.5,970 12.027,972 3.654,974 0.038,975 64.105,976 73.015,977 0.227,978 0.567,979 0.788,980 0.895,981 0.905,982 0.905,983 5.166,984 1.781,985 6.133,986 5.625,987 4.71,988 5.187,989 1.758,990 7.024,991 4.65,992 6.396,993 1.601,994 7.751,995 5.168,996 4.511,997 5.094,998 0.766,999 8.222,1000 4.412,1001 7.731,1002 1.545,1003 9.479,1004 4.497,1005 6.422,1006 7.403,1007 1.696,1008 11.297,1009 6.294,1010 9.099,1011 1.414,1012 11.271,1013 4.018,1014 7.022,1015 8.106,1016 0.931,1017 13.298,1018 6.851,1019 10.5,1020 1.211,1021 13.106,1022 3.466,1023 8.458,1024 9.936,1025 1.83,1026 15.958,1027 8.258,1028 11.922,1029 0.862,1030 14.969,1031 2.759,1032 9.402,1033 11.024,1034 1.142,1035 18.258,1036 9.158,1037 13.362,1038 0.671,1039 16.854,1040 2.044,1041 10.672,1042 12.655,1043 2.038,1044 20.796,1045 10.397,1046 3.419,1047 0.269,1048 18.754,1049 1.646,1050 11.761,1051 13.939,1052 1.436,1053 23.212,1054 11.443,1055 3.169,1056 12.559,1057 20.666,1058 0.612,1059 12.976,1060 15.481,1061 2.286,1062 25.715,1063 12.621,1064 3.096,1065 10.929,1066 22.589,1067 4.474,1068 14.126,1069 16.863,1070 1.783,1071 28.179,1072 13.729,1073 2.553,1074 10.795,1075 24.519,1076 4.12,1077 15.325,1078 18.368,1079 2.561,1080 30.677,1081 14.888,1082 2.494,1083 8.106,1084 26.455,1085 3.426,1086 16.502,1087 19.8,1088 2.156,1089 33.163,1090 16.022,1091 2.053,1092 7.864,1093 28.397,1094 3.2,1095 17.698,1096 21.29,1097 2.856,1098 35.664,1099 17.177,1100 1.934,1101 5.779,1102 30.344,1103 3.111,1104 18.888,1105 22.746,1106 2.541,1107 38.162,1108 18.323,1109 15175,1110 22506,1111 24.561,1112 43.137,1113 57.334,1114 57.798,1115 58.195,1116 56.333,1117 56.262,1118 71.096,1119 6.186,1120 172.021,1121 54.665,1122 5.567,1123 5.671,1124 6.846,1125 5.442,1126 5.419,1127 7.474,1128 2.293,1129 20.072,1130 5.264,1131 17.12,1132 1.55,1133 1.562,1134 1.573,1135 1.523,1136 1.521,1137 1.922,1138 0.167,1139 4.649,1140 1.477,1141 4.104,1142 4.14,1143 4.06,1144 4.023,1145 7.429,1146 4.028,1147 4.015,1148 4.043,1149 3.971,1150 3.945,1151 4.984,1152 3.947,1153 3.85,1154 3.911,1155 3.755,1156 3.693,1157 4.756,1158 3.699,1159 3.563,1160 3.61,1161 3.481,1162 3.428,1163 4.47,1164 3.428,1165 3.52,1166 3.57,1167 3.42,1168 3.405,1169 4.343,1170 3.406,1171 3.358,1172 3.435,1173 3.191,1174 3.219,1175 4.18,1176 3.202,1177 3.318,1178 3.39,1179 3.148,1180 3.16,1181 4.001,1182 3.147,1183 3.188,1184 3.28,1185 3.014,1186 2.985,1187 3.977,1188 2.98,1189 0.123,1190 0.099,1191 0.198,1192 0.118,1193 0.092,1194 4.567,1195 0.121,1196 3.671,1197 0.032,1198 7.317,1199 0.339,1200 4.374,1201 0.088,1202 3.419,1203 4.474,1204 1.2,1205 12.559,1206 3.264,1207 2.05,1208 2.023,1209 2.133,1210 2.152,1211 1.394,1212 2.149,1213 1.99,1214 1.965,1215 2.085,1216 2.085,1217 1.268,1218 2.086,1219 1.817,1220 1.758,1221 1.997,1222 1.996,1223 1.196,1224 1.999,1225 1.537,1226 1.49,1227 1.743,1228 1.714,1229 0.957,1230 1.723,1231 1.513,1232 1.469,1233 1.736,1234 1.669,1235 0.922,1236 1.695,1237 1.38,1238 1.31,1239 1.668,1240 1.577,1241 0.806,1242 1.615,1243 1.327,1244 1.256,1245 1.585,1246 1.512,1247 0.678,1248 1.54,1249 1.191,1250 1.096,1251 1.532,1252 1.433,1253 0.575,1254 1.471,1255 4.317,1257 5.687,1259 7.262,1261 8.932,1263 10.648,1265 8.587,1271 4.964,1276 6.865,1277 0.052,1280 40.176,1281 88.848,1282 222.127,1283 308.434,1284 350.434,1285 354.434,1286 354.434,1287 48.852,1288 8.469,1289 41.37,1290 41.37,1291 30,1292 12.936,1293 4.322,1294 3.524,1295 48.029,1296 152,1297 141,1298 0.154,1299 244.288,1300 424.85,1301 587.824,1302 66032,1304 23.165,1305 0.702,1306 0.606,1307 23.165,1308 20.006,1309 15.831,1310 0.428,1311 0.318,1312 11.658,1313 15.397,1314 11.182,1315 9.301,1316 15.831,1317 11.774,1318 15.174,1319 0.276,1320 0.179,1321 15.174,1322 9.848,1323 13.033,1324 0.174,1325 0.096,1326 13.033,1327 7.171,1328 10.894,1329 0.11,1330 0.053,1331 10.894,1332 5.27,1333 9.121,1334 0.07,1335 0.029,1336 9.121,1337 3.749,1338 0.245,1339 97.723,1340 0.202,1341 30.686,1342 0.416,1343 184,1344 420.316,1345 195.845,1346 417.836,1347 591.63,1348 394,1349 222,1350 454.256,1351 235.04,1352 466.821,1353 685.66,1354 439,1355 9.3} {0 CHEMBL1289721,1 1.327,2 13.281,3 5.01,4 25.095,5 132.106,6 6.756,7 0.472,8 4.217,9 4.343,10 3.72,11 3.812,12 5.195,13 3.76,14 4.796,15 4.99,16 4.1,17 4.24,18 5.702,19 4.167,20 5.077,21 5.287,22 4.216,23 4.458,24 5.965,25 4.355,26 5.215,27 5.444,28 4.121,29 4.516,30 6.045,31 4.364,32 5.282,33 5.555,34 4.022,35 4.467,36 6.016,37 4.286,38 5.199,39 5.486,40 3.906,41 4.332,42 5.912,43 4.157,44 5.052,45 5.317,46 3.788,47 4.23,48 5.812,49 4.054,50 5.041,51 5.334,52 3.629,53 4.138,54 5.756,55 3.942,56 0.055,57 0.885,58 14.106,59 6.107,60 8.752,61 8.519,62 0.228,63 1.527,64 26.552,65 10.266,66 21.515,67 14.758,68 0.246,69 1.956,70 35.51,71 14.023,72 32.202,73 19.959,74 0.255,75 2.145,76 41.063,77 17.093,78 39.92,79 24.092,80 0.258,81 2.239,82 44.71,83 18.096,84 39.864,85 26.135,86 0.346,87 2.078,88 41.863,89 15.574,90 36.145,91 22.854,92 0.273,93 1.797,94 35.667,95 13.9,96 34.064,97 20.026,98 0.353,99 1.704,100 36.062,101 13.638,102 40.58,103 19.743,104 17,105 52,106 0.212,107 0.543,108 0.767,109 0.851,110 0.856,111 0.856,112 3.502,113 0.973,114 -5.2,115 -5.09,116 -4.76,119 44.4,120 2,121 3,122 1,124 1,125 3,134 2,140 7,141 5,142 1,144 2,156 1,169 17,171 1,172 11,178 22,182 9,189 22,193 9,199 19,203 10,211 12,214 1,215 6,222 8,225 1,226 3,233 13,236 1,237 2,244 13,249 3,256 13,259 1634,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.42,266 26.174,267 12.482,268 21.979,269 17.715,270 17.715,271 17.715,272 17.715,273 17.715,274 14.104,275 31.303,276 5.875,277 18.103,278 4.65,279 2.568,280 1.165,281 0.639,282 0.607,283 0.607,284 4.212,289 1,290 944,291 2.828,295 428.747,299 287.712,302 1.934,303 17.557,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66.5,315 425,316 4.551,317 3.675,318 6.821,319 4.2,320 3.218,321 4.474,322 1.2,323 11.215,324 3.162,325 4.549,326 3.277,327 6.695,328 4.131,329 3.139,330 4.225,331 0.8,332 10.856,333 3.113,334 3.962,335 3.196,336 6.151,337 3.68,338 2.705,339 3.276,340 0.293,341 8.747,342 2.634,343 3.855,344 2.848,345 5.807,346 3.599,347 2.629,348 3.249,350 8,351 2.549,352 3.531,353 2.642,354 5.343,355 3.308,356 2.365,357 2.735,359 6.884,360 2.224,361 3.379,362 2.534,363 5.295,364 3.023,365 2.042,366 2.623,368 6.11,369 2.008,370 3.33,371 2.216,372 4.961,373 2.987,374 1.978,375 2.5,377 5.732,378 1.978,379 3.215,380 1.996,381 4.742,382 2.812,383 1.818,384 2.413,386 4.922,387 1.802,388 3.03,389 1.626,390 4.56,391 2.588,392 1.602,393 2.245,395 4.496,396 1.578,397 2.788,398 1.549,399 4.05,400 2.424,401 1.431,402 1.853,404 3.489,405 1.42,406 2.649,407 1.425,408 3.999,409 2.255,410 1.275,411 1.596,413 3.227,414 1.247,415 2.259,416 1.155,417 3.414,418 1.984,419 1,420 1.17,422 2.275,423 0.983,424 2,425 1.077,426 3.395,427 1.852,428 0.868,429 1,431 2.051,432 0.853,433 1.955,434 0.9,435 3.331,436 1.717,437 0.731,438 0.854,440 1.761,441 0.719,442 1.835,443 0.75,444 2.932,445 1.327,446 0.309,447 0.416,449 0.714,450 0.311,451 15.533,452 0.485,453 0.836,454 0.026,455 39.75,456 1.242,457 19.5,458 0.609,459 20.25,460 0.633,461 31.635,462 0.989,463 33.667,464 0.534,465 28.741,466 0.898,467 7.515,468 0.235,469 7.993,470 0.25,471 0.118,473 0.373,479 0.706,480 1.292,481 0.862,482 1.081,483 0.582,484 0.998,485 0.912,486 1.008,487 0.882,488 0.878,489 0.518,490 0.868,491 1.072,492 1.017,493 1.029,494 0.996,495 0.796,496 1,497 0.946,498 1.148,499 1.147,500 1.192,501 1.026,502 1.192,503 0.639,504 1.1,505 0.987,506 1.098,507 0.603,508 1.076,509 0.923,510 0.933,511 0.996,512 0.943,513 0.679,514 0.963,515 0.933,516 1.094,517 1.112,518 1.128,519 0.894,520 1.133,521 1.084,522 0.867,523 1.023,524 0.913,525 1.159,526 0.958,527 6,528 0.174,529 4.667,530 2.375,531 2.218,532 1.146,533 0.746,534 0.391,535 0.27,536 0.229,537 15802,538 33554,539 2.135,540 49.2,541 4,542 18,546 3,547 6,550 1.74,551 2,552 3.637,553 -0.867,559 83.628,560 1.327,561 3.409,562 4.812,563 5.338,564 5.37,565 5.37,566 3.018,567 4.688,568 4.977,569 3.832,570 1900.46,571 8.673,572 28318.1,574 1,577 376.569,578 1.406,579 4.933,580 0.167,581 0.007,582 0.09,583 0.042,584 0.045,585 0.027,586 0.02,587 0.012,588 0.01,589 0.009,590 0.427,591 0.33,592 0.88,593 0.531,594 169.669,595 0.047,596 -0.149,597 0.075,598 -0.03,599 -0.007,600 0.013,601 0.063,602 0.105,603 0.093,604 0.114,605 0.105,606 0.109,607 -0.1,608 0.048,609 -0.056,610 0.001,611 0.027,612 -0.017,613 -0.09,614 -0.16,615 -0.186,616 -0.178,617 -0.079,618 -0.19,619 0.037,620 -0.151,621 -0.022,622 -0.105,623 0.006,624 -0.075,625 -0.014,626 0.048,627 -0.005,628 0.012,629 -0.021,630 0.007,631 -0.021,632 -0.117,633 -0.132,634 -0.152,635 -0.061,636 -0.152,637 -0.023,638 0.069,639 -0.024,640 0.051,641 -0.083,642 0.018,643 1.617,644 5.031,645 0.813,646 31.063,647 0.984,648 1.119,649 3.97,650 15.765,651 0.669,652 3.611,653 3.97,654 4.29,655 4.564,656 4.844,657 4.92,658 5.024,659 5.106,660 5.209,661 5.247,662 7.723,663 0.621,664 425.62,665 3.611,666 5.176,667 6.052,668 6.946,669 7.836,670 8.733,671 9.626,672 10.525,673 11.42,674 12.318,675 4.8,678 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,714 63,716 19,717 2,718 36,720 67,721 28,722 15,723 7,724 5,725 3,730 5,731 7,736 2,740 2,741 1,743 3,745 18,746 10,747 1,750 2,755 1,757 2,759 1,764 31,765 4,767 4,773 3,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 3,827 32,833 6,837 1,838 2,847 1.6,850 1,854 16,855 12.35,856 6.889,857 4.068,858 3.93,859 1.465,860 1.009,861 5.671,862 12.39,863 3.861,864 4.477,865 5.098,866 5.683,867 6.269,868 6.544,869 6.861,870 7.14,871 7.42,872 7.304,873 0.889,874 57,875 11.878,877 5.076,878 7.479,879 23.591,881 20.209,883 1.979,884 63.333,888 364.904,889 152.931,890 23.034,892 25.145,895 152.931,896 390.049,897 23.034,898 26.047,899 17.045,900 85.286,901 46.635,902 26.097,904 364.904,906 364.904,907 175.965,908 25.145,911 294.278,912 95.772,915 42.721,916 97.507,917 35.738,919 364.904,920 48.179,921 152.931,924 364.904,925 41.598,926 117.582,928 41.93,929 364.904,930 48.179,931 152.931,933 0.593,934 0.359,935 0.193,936 0.11,937 27,938 12,939 0.06,940 4,941 2,942 1.154,943 4.329,944 302.181,945 0.154,946 26,947 154,951 21.062,952 8.616,953 4.046,954 2.43,955 48.179,956 15.181,957 4.722,961 7.45,964 566.015,965 46.5,970 12.031,972 3.694,974 0.049,975 62.003,976 70.517,977 0.222,978 0.57,979 0.805,980 0.893,981 0.898,982 0.898,983 5.125,984 1.818,985 6.052,986 5.732,987 4.654,988 5.165,989 1.577,990 6.899,991 4.614,992 6.337,993 1.602,994 7.637,995 4.922,996 4.29,997 5.027,998 0.57,999 7.872,1000 4.226,1001 7.655,1002 1.431,1003 9.321,1004 4.496,1005 6.286,1006 7.387,1007 1.608,1008 10.995,1009 6.207,1010 9.008,1011 1.275,1012 11.065,1013 3.489,1014 6.735,1015 8.087,1016 0.801,1017 12.796,1018 6.636,1019 10.395,1020 1,1021 12.846,1022 3.227,1023 8.206,1024 9.937,1025 1.786,1026 15.449,1027 8.094,1028 11.805,1029 0.868,1030 14.653,1031 2.275,1032 9.029,1033 11.04,1034 1.074,1035 17.593,1036 8.903,1037 13.234,1038 0.731,1039 16.48,1040 2.051,1041 10.297,1042 12.681,1043 2.015,1044 20.085,1045 10.158,1046 3.218,1047 0.309,1048 18.322,1049 1.761,1050 11.296,1051 13.982,1052 1.404,1053 22.375,1054 11.146,1055 3.139,1056 11.215,1057 20.175,1058 0.714,1059 12.484,1060 15.532,1061 2.275,1062 24.809,1063 12.322,1064 2.705,1065 10.856,1066 22.038,1067 4.474,1068 13.564,1069 16.927,1070 1.768,1071 27.161,1072 13.391,1073 2.629,1074 8.747,1075 23.908,1076 4.225,1077 14.724,1078 18.437,1079 2.556,1080 29.575,1081 14.539,1082 2.365,1083 8,1084 25.785,1085 3.276,1086 15.842,1087 19.878,1088 2.15,1089 31.955,1090 15.646,1091 2.042,1092 6.884,1093 27.666,1094 3.249,1095 16.994,1096 21.372,1097 2.853,1098 34.361,1099 16.785,1100 1.978,1101 6.11,1102 29.552,1103 2.735,1104 18.13,1105 22.834,1106 2.538,1107 36.754,1108 17.909,1109 14588,1110 21380,1111 24.274,1112 42.131,1113 55.026,1114 55.714,1115 56.328,1116 54.272,1117 54.221,1118 69.257,1119 4.586,1120 160.96,1121 53.162,1122 5.551,1123 5.675,1124 6.341,1125 5.239,1126 5.218,1127 7.474,1128 2.293,1129 18.696,1130 5.162,1131 15.397,1132 1.528,1133 1.548,1134 1.565,1135 1.508,1136 1.506,1137 1.924,1138 0.127,1139 4.471,1140 1.477,1141 4.111,1142 4.141,1143 4.064,1144 4.046,1145 7.429,1146 4.046,1147 4.027,1148 4.053,1149 3.985,1150 3.963,1151 4.979,1152 3.964,1153 3.811,1154 3.873,1155 3.699,1156 3.666,1157 4.747,1158 3.665,1159 3.595,1160 3.639,1161 3.515,1162 3.454,1163 4.418,1164 3.461,1165 3.515,1166 3.567,1167 3.41,1168 3.409,1169 4.278,1170 3.402,1171 3.356,1172 3.424,1173 3.203,1174 3.229,1175 4.202,1176 3.214,1177 3.198,1178 3.285,1179 3.033,1180 3.016,1181 3.997,1182 3.009,1183 3.111,1184 3.206,1185 2.918,1186 2.946,1187 3.943,1188 2.928,1189 0.126,1190 0.102,1191 0.189,1192 0.117,1193 0.089,1194 4.551,1195 0.124,1196 3.675,1197 0.033,1198 6.821,1199 0.312,1200 4.2,1201 0.088,1202 3.218,1203 4.474,1204 1.2,1205 11.215,1206 3.162,1207 2.07,1208 2.046,1209 2.163,1210 2.153,1211 1.474,1212 2.158,1213 2.004,1214 1.981,1215 2.096,1216 2.093,1217 1.315,1218 2.094,1219 1.792,1220 1.734,1221 1.98,1222 1.967,1223 1.181,1224 1.975,1225 1.562,1226 1.519,1227 1.759,1228 1.742,1229 0.965,1230 1.749,1231 1.517,1232 1.469,1233 1.728,1234 1.664,1235 0.825,1236 1.688,1237 1.377,1238 1.312,1239 1.651,1240 1.55,1241 0.812,1242 1.588,1243 1.204,1244 1.117,1245 1.536,1246 1.434,1247 0.785,1248 1.473,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.598,1254 1.429,1255 4.29,1257 5.638,1259 7.195,1261 8.848,1263 10.55,1265 6.1,1271 6.715,1275 0.605,1276 4.356,1280 39.154,1281 83.628,1282 214.771,1283 303.143,1284 336.304,1285 338.304,1286 338.304,1287 46.121,1288 8.46,1289 38.13,1290 38.13,1291 30,1292 12.842,1293 4.322,1294 3.524,1295 46.024,1296 153,1297 136,1298 0.147,1299 237.494,1300 413.85,1301 571.246,1302 67085,1304 22.242,1305 0.695,1306 0.602,1307 22.242,1308 19.266,1309 15.508,1310 0.431,1311 0.324,1312 11.589,1313 15.164,1314 11.178,1315 9.268,1316 15.508,1317 11.679,1318 14.255,1319 0.274,1320 0.178,1321 14.255,1322 9.257,1323 12.685,1324 0.176,1325 0.101,1326 12.685,1327 7.263,1328 10.509,1329 0.111,1330 0.056,1331 10.509,1332 5.331,1333 8.936,1334 0.071,1335 0.031,1336 8.936,1337 3.952,1338 0.237,1339 95.268,1340 0.203,1341 30.125,1342 0.389,1343 176,1344 394.671,1345 184.764,1346 393.79,1347 557.3,1348 372,1349 212,1350 423.735,1351 221.321,1352 436.222,1353 641.33,1354 412,1355 7.4} {0 CHEMBL1290486,1 1.398,2 13.167,3 3.769,4 14.204,5 120.764,6 6.906,7 0.5,8 4.15,9 4.281,10 3.673,11 3.719,12 5.129,13 3.679,14 4.73,15 4.923,16 4.041,17 4.14,18 5.655,19 4.077,20 5.02,21 5.245,22 4.11,23 4.327,24 5.896,25 4.229,26 5.079,27 5.315,28 4.005,29 4.35,30 5.892,31 4.206,32 5.137,33 5.414,34 3.9,35 4.303,36 5.872,37 4.134,38 5.053,39 5.34,40 3.781,41 4.169,42 5.789,43 4,44 4.895,45 5.17,46 3.651,47 4.034,48 5.642,49 3.874,50 4.796,51 5.065,52 3.525,53 3.953,54 5.523,55 3.777,56 0.049,57 0.864,58 12.912,59 5.36,60 6.868,61 7.526,62 0.221,63 1.468,64 24.593,65 8.952,66 19.934,67 13.05,68 0.338,69 1.859,70 33.983,71 12.047,72 32.974,73 17.46,74 0.249,75 1.897,76 35.838,77 14.237,78 31.529,79 20.381,80 0.266,81 1.926,82 39.097,83 14.87,84 34.053,85 21.794,86 0.309,87 1.767,88 36.419,89 13.109,90 34.772,91 19.44,92 0.306,93 1.523,94 31.02,95 10.927,96 31.581,97 16.105,98 0.258,99 1.368,100 27.769,101 10.373,102 25.121,103 15.21,104 5,105 48,106 0.227,107 0.534,108 0.712,109 0.848,110 0.859,111 0.859,112 3.44,113 0.963,114 -4.15,115 -4.09,116 -3.87,119 43.1,120 1,121 3,125 5,140 8,141 3,142 2,144 2,156 1,169 11,172 8,174 1,176 3,178 13,181 1,182 6,186 3,189 11,192 1,193 7,197 2,199 10,203 7,211 3,215 8,218 1,222 1,225 1,226 4,233 2,236 1,237 2,244 4,249 4,252 1,256 8,259 1376,260 20.67,261 20.67,262 20.67,263 20.67,264 20.67,265 18.477,266 24.642,267 12.128,268 20.986,269 16.807,270 16.807,271 16.807,272 16.807,273 16.807,274 13.431,275 31.261,276 5.768,277 17.308,278 4.46,279 2.57,280 1.474,281 0.634,282 0.565,283 0.565,284 4.156,288 1,289 1,290 886,291 2.646,295 400.254,299 268.055,302 1.956,303 18.038,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 395,316 4.551,317 3.625,318 6.695,319 4.109,320 3.139,321 4.474,322 1.907,323 10.856,324 3.046,325 4.392,326 3.28,327 6.518,328 4.045,329 3.056,330 4.034,331 0.8,332 10.25,333 3.024,334 3.856,335 3.15,336 5.807,337 3.584,338 2.647,339 3.249,340 0.8,341 8.002,342 2.475,343 3.657,344 2.872,345 5.378,346 3.374,347 2.408,348 2.875,349 0.149,350 6.98,351 2.348,352 3.525,353 2.643,354 5.267,355 3.27,356 2.294,357 2.734,359 6.616,360 2.207,361 3.344,362 2.279,363 4.961,364 3.007,365 2.041,366 2.52,368 5.733,369 1.969,370 3.216,371 2.208,372 4.809,373 2.864,374 1.866,375 2.406,377 5.274,378 1.851,379 3.027,380 1.776,381 4.559,382 2.576,383 1.599,384 2.241,386 4.493,387 1.562,388 2.911,389 1.649,390 4.189,391 2.516,392 1.515,393 2.071,395 3.793,396 1.514,397 2.775,398 1.476,399 4.035,400 2.398,401 1.417,402 1.842,404 3.463,405 1.386,406 2.27,407 1.222,408 3.451,409 2.031,410 1.049,411 1.203,413 2.412,414 1.028,415 2.142,416 1.146,417 3.414,418 1.967,419 1,420 1.093,422 2.275,423 0.965,424 2,425 0.951,426 3.364,427 1.817,428 0.838,429 1,431 1.999,432 0.819,433 1.72,434 0.872,435 3.154,436 1.556,437 0.575,438 0.64,440 1.375,441 0.563,442 1.213,443 0.621,444 2.645,445 0.852,446 -0.136,447 -0.154,449 -0.338,450 -0.133,451 14.433,452 0.481,453 0.674,454 0.022,455 38.25,456 1.275,457 18.5,458 0.617,459 19.75,460 0.658,461 26.873,462 0.896,463 31.767,464 0.548,465 26.398,466 0.88,467 7.314,468 0.244,469 7.356,470 0.245,471 0.058,473 0.333,479 0.778,480 1.355,481 0.841,482 1.088,483 0.559,484 0.986,485 0.956,486 1.15,487 0.929,488 0.963,489 0.538,490 0.936,491 1.283,492 0.963,493 1.085,494 0.936,495 1.05,496 0.975,497 0.8,498 1.145,499 1.102,500 1.197,501 0.769,502 1.185,503 0.719,504 1.03,505 0.975,506 1.051,507 0.609,508 1.039,509 0.832,510 0.979,511 0.978,512 0.991,513 0.689,514 0.994,515 1.09,516 0.955,517 1.077,518 0.98,519 0.98,520 1.017,521 0.809,522 1.078,523 1.089,524 1.115,525 0.778,526 1.129,527 5.5,528 0.128,529 3.556,530 1.75,531 1.716,532 0.833,533 0.584,534 0.313,535 0.2,536 0.199,537 13872,538 30491,539 2.186,540 48.3,541 2,542 18,545 1,546 5,547 2,550 1.722,551 2.093,552 3.631,553 -0.415,555 1,559 81.061,560 1.398,561 3.288,562 4.384,563 5.224,564 5.293,565 5.293,566 3.023,567 4.548,568 4.882,569 3.815,570 1659.61,571 8.478,572 23764.6,574 1,577 339.763,578 1.231,579 4.859,580 0.162,581 0.006,582 0.074,583 0.035,584 0.04,585 0.022,586 0.018,587 0.011,588 0.008,589 0.009,590 0.384,591 0.5,592 0.88,593 0.424,594 156.398,595 0.013,596 -0.175,597 0.075,598 -0.036,599 0.006,600 0.014,601 0.025,602 -0.018,603 0.033,604 0.024,605 0.083,606 0.03,607 -0.16,608 0.11,609 -0.101,610 0.033,611 -0.093,612 -0.016,613 -0.022,614 -0.153,615 -0.15,616 -0.185,617 -0.019,618 -0.183,619 0.006,620 -0.089,621 -0.006,622 -0.06,623 0.012,624 -0.038,625 0.014,626 -0.03,627 0.009,628 -0.026,629 -0.006,630 -0.011,631 -0.084,632 0.018,633 -0.082,634 -0.022,635 -0.099,636 -0.048,637 0.027,638 -0.125,639 -0.114,640 -0.132,641 -0.03,642 -0.138,643 1.533,644 4.66,645 0.867,646 29.209,647 0.989,648 1.124,649 2.921,650 8.532,651 0.666,652 3.555,653 3.892,654 4.19,655 4.477,656 4.754,657 4.796,658 4.898,659 5.011,660 5.118,661 5.136,662 7.585,663 0.623,664 400.57,665 3.555,666 5.106,667 5.969,668 6.853,669 7.73,670 8.617,671 9.498,672 10.387,673 11.269,674 12.158,675 6.9,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,714 58,716 18,717 2,718 34,720 62,721 25,722 15,723 6,724 6,730 5,731 7,736 1,740 2,743 3,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 5,766 1,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 30,833 8,834 1,838 2,847 1.7,850 1,854 14.333,855 10.683,856 6.472,857 3.747,858 3.558,859 1.428,860 1.027,861 5.345,862 11.864,863 3.795,864 4.394,865 4.975,866 5.564,867 6.133,868 6.365,869 6.668,870 6.988,871 7.257,872 7.129,873 0.889,874 50,875 11.135,877 4.771,878 7.494,879 22.095,881 18.9,883 1.994,884 59.833,887 1,888 317.82,889 126.83,890 41.045,892 25.145,895 126.83,896 342.965,897 41.045,898 8.825,899 36.143,900 75.81,901 46.635,902 25.607,904 317.82,906 317.82,907 167.875,908 25.145,911 294.278,912 48.687,915 52.993,916 98.097,917 16.786,919 317.82,920 66.19,921 126.83,924 317.82,925 42.195,926 90.884,927 18.011,928 41.93,929 317.82,930 66.19,931 126.83,933 0.584,934 0.344,935 0.193,936 0.111,937 25,938 10,939 0.065,940 4,941 2,942 1.154,943 4.277,944 272.868,945 0.154,946 26,947 138.452,951 19.383,952 8.273,953 4.048,954 2.324,955 66.19,956 17.057,957 4.686,961 6.077,963 18.011,964 510.84,965 43.5,970 11.66,974 0.134,975 57.338,976 65.185,977 0.239,978 0.561,979 0.748,980 0.892,981 0.904,982 0.904,983 5.045,984 1.599,985 5.948,986 5.274,987 4.575,988 5.081,989 2.194,990 6.76,991 4.519,992 6.237,993 1.515,994 7.503,995 4.493,996 4.111,997 4.89,998 1.738,999 7.653,1000 4.022,1001 7.542,1002 1.417,1003 9.156,1004 3.793,1005 6.168,1006 7.277,1007 2.953,1008 10.764,1009 6.053,1010 8.88,1011 1.049,1012 10.87,1013 3.463,1014 6.524,1015 7.934,1016 3.061,1017 12.512,1018 6.381,1019 10.252,1020 1,1021 12.624,1022 2.412,1023 8.036,1024 9.807,1025 4.047,1026 15.137,1027 7.87,1028 11.648,1029 0.838,1030 14.406,1031 2.275,1032 8.79,1033 10.882,1034 4.414,1035 17.243,1036 8.601,1037 13.064,1038 0.575,1039 16.21,1040 1.999,1041 10.073,1042 12.536,1043 5.252,1044 19.702,1045 9.862,1046 3.139,1047 -0.136,1048 18.029,1049 1.375,1050 11.022,1051 13.82,1052 5.75,1053 21.958,1054 10.792,1055 3.056,1056 10.856,1057 19.862,1058 -0.338,1059 12.208,1060 15.377,1061 6.502,1062 24.357,1063 11.957,1064 2.647,1065 10.25,1066 21.706,1067 4.474,1068 13.251,1069 16.762,1070 7.068,1071 26.676,1072 12.982,1073 2.408,1074 8.002,1075 23.557,1076 4.034,1077 14.398,1078 18.276,1079 7.771,1080 29.054,1081 14.109,1082 2.294,1083 6.98,1084 25.416,1085 3.249,1086 15.486,1087 19.712,1088 8.374,1089 31.4,1090 15.178,1091 2.041,1092 6.616,1093 27.28,1094 2.875,1095 16.62,1096 21.208,1097 9.051,1098 33.771,1099 16.291,1100 1.866,1101 5.733,1102 29.149,1103 2.734,1104 17.729,1105 22.668,1106 9.674,1107 36.129,1108 17.381,1109 12673,1110 18903,1111 23.463,1112 38.614,1113 50.946,1114 52.202,1115 52.144,1116 50.888,1117 50.891,1118 64.766,1119 7.312,1120 147.041,1121 49.511,1122 5.551,1123 5.625,1124 6.232,1125 5.176,1126 5.139,1127 7.474,1128 3.306,1129 18.031,1130 5.046,1131 10.734,1132 1.498,1133 1.535,1134 1.534,1135 1.497,1136 1.497,1137 1.905,1138 0.215,1139 4.325,1140 1.456,1141 4.098,1142 4.132,1143 4.054,1144 4.018,1145 7.429,1146 4.023,1147 4.005,1148 4.036,1149 3.949,1150 3.933,1151 4.983,1152 3.933,1153 3.791,1154 3.861,1155 3.681,1156 3.601,1157 4.732,1158 3.611,1159 3.555,1160 3.604,1161 3.458,1162 3.421,1163 4.44,1164 3.417,1165 3.505,1166 3.554,1167 3.402,1168 3.379,1169 4.285,1170 3.38,1171 3.33,1172 3.402,1173 3.18,1174 3.188,1175 4.014,1176 3.176,1177 3.111,1178 3.206,1179 2.962,1180 2.954,1181 3.965,1182 2.943,1183 3.092,1184 3.165,1185 2.868,1186 2.941,1187 3.851,1188 2.91,1189 0.134,1190 0.107,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.625,1197 0.056,1198 6.695,1199 0.319,1200 4.109,1201 0.09,1202 3.139,1203 4.474,1204 1.907,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.129,1210 2.147,1211 1.378,1212 2.144,1213 1.984,1214 1.957,1215 2.095,1216 2.085,1217 1.309,1218 2.09,1219 1.748,1220 1.679,1221 1.949,1222 1.96,1223 1.19,1224 1.962,1225 1.536,1226 1.487,1227 1.752,1228 1.713,1229 1.018,1230 1.725,1231 1.501,1232 1.453,1233 1.721,1234 1.653,1235 0.825,1236 1.677,1237 1.342,1238 1.275,1239 1.609,1240 1.526,1241 0.819,1242 1.558,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.79,1248 1.429,1249 1.112,1250 1.04,1251 1.424,1252 1.304,1253 0.48,1254 1.35,1255 4.234,1257 5.565,1259 7.102,1261 8.736,1263 10.417,1265 2.044,1271 7.779,1272 3.016,1276 5.056,1280 36.122,1281 81.061,1282 190.688,1283 254.279,1284 303.008,1285 307.008,1286 307.008,1287 39.967,1288 8.306,1289 48.47,1290 48.47,1291 30,1292 12.689,1293 4.248,1294 3.392,1295 41.934,1296 141,1297 122,1298 0.146,1299 218.439,1300 375.59,1301 524.751,1302 56332,1304 20.501,1305 0.683,1306 0.584,1307 20.501,1308 17.526,1309 14.67,1310 0.431,1311 0.321,1312 10.809,1313 14.263,1314 10.541,1315 8.659,1316 14.67,1317 10.915,1318 13.328,1319 0.278,1320 0.174,1321 13.328,1322 8.367,1323 11.467,1324 0.176,1325 0.099,1326 11.467,1327 6.408,1328 9.877,1329 0.114,1330 0.054,1331 9.877,1332 4.74,1333 8.492,1334 0.074,1335 0.031,1336 8.492,1337 3.517,1338 0.235,1339 90.6,1340 0.206,1341 28.716,1342 0.382,1343 164,1344 385.004,1345 174.818,1346 380.319,1347 535.55,1348 360,1349 195,1350 404.636,1351 206.209,1352 411.937,1353 605.11,1354 391,1355 10} {0 CHEMBL1290487,1 1.383,2 13.258,3 3.975,4 15.798,5 125.661,6 6.797,7 0.486,8 4.195,9 4.326,10 3.706,11 3.755,12 5.163,13 3.712,14 4.782,15 4.984,16 4.078,17 4.178,18 5.677,19 4.115,20 5.058,21 5.278,22 4.18,23 4.384,24 5.944,25 4.29,26 5.155,27 5.381,28 4.076,29 4.43,30 6,31 4.287,32 5.231,33 5.51,34 3.957,35 4.389,36 5.95,37 4.211,38 5.138,39 5.429,40 3.819,41 4.242,42 5.854,43 4.062,44 4.974,45 5.257,46 3.69,47 4.09,48 5.697,49 3.922,50 4.865,51 5.144,52 3.587,53 4.006,54 5.568,55 3.833,56 0.05,57 0.906,58 13.809,59 5.689,60 7.454,61 8.064,62 0.254,63 1.542,64 26.436,65 9.279,66 18.554,67 13.741,68 0.33,69 1.939,70 35.372,71 12.683,72 32.14,73 18.438,74 0.299,75 2.035,76 38.859,77 15.355,78 39.435,79 21.829,80 0.285,81 2.097,82 42.881,83 16.444,84 35.738,85 24.148,86 0.325,87 1.9,88 39.559,89 14.368,90 36.122,91 21.363,92 0.316,93 1.624,94 33.613,95 11.893,96 32.878,97 17.65,98 0.293,99 1.457,100 29.962,101 10.864,102 25.618,103 16.114,104 10,105 50,106 0.222,107 0.515,108 0.716,109 0.844,110 0.855,111 0.855,112 3.472,113 0.969,114 -4.36,115 -4.29,116 -4.05,119 42.6,120 1,121 3,124 1,125 5,140 8,141 3,142 2,144 2,156 1,169 11,171 1,172 11,178 13,181 1,182 9,189 11,192 1,193 9,199 10,203 7,211 3,214 1,215 8,222 1,225 1,226 4,233 2,236 1,237 2,244 4,248 1,249 4,256 8,259 1504,260 21.223,261 21.223,262 21.223,263 21.223,264 21.223,265 19.078,266 25.269,267 12.309,268 21.589,269 17.248,270 17.248,271 17.248,272 17.248,273 17.248,274 13.9,275 31.577,276 5.804,277 17.817,278 4.548,279 2.729,280 1.479,281 0.68,282 0.615,283 0.615,284 4.184,288 1,289 1,290 917,291 2.739,295 414.951,299 277.987,302 1.975,303 18.033,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 411,316 4.551,317 3.771,318 6.743,319 4.147,320 3.17,321 4.474,322 1.94,323 10.929,324 3.098,325 4.464,326 3.28,327 6.695,328 4.108,329 3.139,330 4.077,331 0.8,332 10.856,333 3.046,334 3.86,335 3.152,336 5.935,337 3.601,338 2.658,339 3.249,340 0.8,341 8.12,342 2.529,343 3.825,344 2.874,345 5.807,346 3.525,347 2.549,348 3.076,349 0.555,350 7.994,351 2.456,352 3.53,353 2.648,354 5.33,355 3.296,356 2.356,357 2.735,359 6.882,360 2.214,361 3.344,362 2.417,363 5.041,364 3.008,365 2.042,366 2.521,368 5.741,369 1.969,370 3.225,371 2.251,372 4.959,373 2.879,374 1.876,375 2.408,377 5.527,378 1.869,379 3.028,380 1.867,381 4.56,382 2.588,383 1.608,384 2.242,386 4.497,387 1.575,388 2.915,389 1.649,390 4.343,391 2.547,392 1.555,393 2.075,395 4.036,396 1.54,397 2.776,398 1.481,399 4.035,400 2.399,401 1.418,402 1.844,404 3.464,405 1.387,406 2.388,407 1.429,408 3.652,409 2.199,410 1.217,411 1.373,413 2.762,414 1.192,415 2.248,416 1.146,417 3.414,418 1.967,419 1,420 1.16,422 2.275,423 0.965,424 2,425 1.052,426 3.375,427 1.832,428 0.854,429 1,431 2.03,432 0.834,433 1.797,434 0.912,435 3.234,436 1.604,437 0.628,438 0.708,440 1.525,441 0.612,442 1.608,443 0.753,444 2.804,445 1.273,446 0.249,447 0.306,449 0.555,450 0.252,451 14.933,452 0.482,453 0.747,454 0.024,455 39,456 1.258,457 18.5,458 0.597,459 20.5,460 0.661,461 28.964,462 0.934,463 33.067,464 0.542,465 27.754,466 0.895,467 7.479,468 0.241,469 7.618,470 0.246,471 0.089,473 0.348,479 0.751,480 1.437,481 0.85,482 1.143,483 0.557,484 1.025,485 1.056,486 1.079,487 0.918,488 0.886,489 0.57,490 0.875,491 1.26,492 0.981,493 1.061,494 0.951,495 0.997,496 0.973,497 1.043,498 1.169,499 1.18,500 1.225,501 1.185,502 1.224,503 0.694,504 1.035,505 0.981,506 1.063,507 0.591,508 1.05,509 0.805,510 0.985,511 0.98,512 1.003,513 0.679,514 1.004,515 1.036,516 0.968,517 1.037,518 0.975,519 0.948,520 0.999,521 0.884,522 0.995,523 1.048,524 1.014,525 0.745,526 1.04,527 5.5,528 0.14,529 4.222,530 2.063,531 1.947,532 0.951,533 0.584,534 0.375,535 0.25,536 0.209,537 14897,538 31952,539 2.16,540 49.2,541 2,542 21,546 5,547 2,550 1.731,551 2.044,552 3.646,553 -0.831,555 1,559 84.357,560 1.383,561 3.202,562 4.451,563 5.25,564 5.316,565 5.316,566 3.042,567 4.736,568 4.931,569 3.833,570 1782.43,571 8.575,572 26118.4,574 1,577 361.775,578 1.332,579 4.896,580 0.157,581 0.006,582 0.084,583 0.038,584 0.042,585 0.024,586 0.017,587 0.013,588 0.009,589 0.009,590 0.399,591 0.33,592 0.88,593 0.486,594 163.194,595 0.047,596 -0.247,597 0.085,598 -0.075,599 0.009,600 -0.008,601 0.004,602 0.066,603 0.066,604 0.095,605 0.053,606 0.091,607 -0.13,608 0.107,609 -0.073,610 0.03,611 -0.036,612 -0.006,613 -0.087,614 -0.164,615 -0.215,616 -0.207,617 -0.095,618 -0.224,619 0.009,620 -0.095,621 -0.016,622 -0.07,623 0.014,624 -0.049,625 0.02,626 -0.041,627 0.002,628 -0.038,629 -0.007,630 -0.022,631 -0.05,632 -0.006,633 -0.044,634 -0.018,635 -0.082,636 -0.029,637 0.009,638 -0.033,639 -0.065,640 -0.045,641 -0.015,642 -0.06,643 1.445,644 5.029,645 0.839,646 30.177,647 0.987,648 1.125,649 3.125,650 9.767,651 0.662,652 3.584,653 3.932,654 4.248,655 4.522,656 4.796,657 4.844,658 4.956,659 5.056,660 5.159,661 5.187,662 7.708,663 0.617,664 414.6,665 3.584,666 5.142,667 6.014,668 6.903,669 7.788,670 8.68,671 9.569,672 10.462,673 11.352,674 12.245,675 6.6,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,714 61,716 18,717 2,718 35,720 65,721 26,722 15,723 6,724 6,730 5,731 7,736 1,740 2,743 3,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 5,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,815 1,819 3,823 2,827 31,833 8,838 3,847 1.6,850 1,854 15.167,855 11.633,856 6.694,857 3.922,858 3.563,859 1.424,860 1.016,861 5.579,862 11.959,863 3.818,864 4.419,865 5.016,866 5.591,867 6.157,868 6.394,869 6.708,870 7.011,871 7.277,872 7.161,873 0.889,874 54,875 11.514,877 4.915,878 7.478,879 22.876,881 19.515,883 1.978,884 61.333,887 1,888 353.133,889 135.227,890 26.158,892 25.145,895 135.227,896 378.278,897 26.158,898 17.222,899 21.256,900 75.81,901 46.635,902 25.607,904 353.133,906 353.133,907 161.385,908 25.145,911 329.591,912 48.687,915 38.107,916 106.493,917 16.786,919 353.133,920 51.303,921 135.227,924 353.133,925 42.195,926 102.405,928 41.93,929 353.133,930 51.303,931 135.227,933 0.589,934 0.355,935 0.194,936 0.109,937 26,938 11,939 0.062,940 4,941 2,942 1.154,943 4.304,944 287.153,945 0.154,946 26,947 147.58,951 20.326,952 8.509,953 4.015,954 2.327,955 51.303,956 17.178,957 4.693,961 6.22,964 539.663,965 44.5,970 12.029,974 0.222,975 60.221,976 68.6,977 0.233,978 0.54,979 0.751,980 0.885,981 0.896,982 0.896,983 5.077,984 1.608,985 6.004,986 5.527,987 4.615,988 5.106,989 2.263,990 6.838,991 4.553,992 6.274,993 1.555,994 7.578,995 4.497,996 4.205,997 4.934,998 1.803,999 7.786,1000 4.098,1001 7.584,1002 1.418,1003 9.253,1004 4.036,1005 6.232,1006 7.304,1007 3.014,1008 10.907,1009 6.105,1010 8.929,1011 1.217,1012 10.988,1013 3.464,1014 6.648,1015 7.98,1016 3.157,1017 12.694,1018 6.48,1019 10.308,1020 1,1021 12.762,1022 2.762,1023 8.137,1024 9.839,1025 4.14,1026 15.338,1027 7.949,1028 11.712,1029 0.854,1030 14.563,1031 2.275,1032 8.938,1033 10.924,1034 4.543,1035 17.469,1036 8.717,1037 13.135,1038 0.628,1039 16.385,1040 2.03,1041 10.212,1042 12.571,1043 5.383,1044 19.951,1045 9.97,1046 3.17,1047 0.249,1048 18.221,1049 1.525,1050 11.196,1051 13.858,1052 5.912,1053 22.227,1054 10.926,1055 3.139,1056 10.929,1057 20.069,1058 0.555,1059 12.383,1060 15.411,1061 6.67,1062 24.649,1063 12.092,1064 2.658,1065 10.856,1066 21.926,1067 4.474,1068 13.452,1069 16.798,1070 7.263,1071 26.988,1072 13.135,1073 2.549,1074 8.12,1075 23.791,1076 4.077,1077 14.608,1078 18.31,1079 7.976,1080 29.389,1081 14.268,1082 2.356,1083 7.994,1084 25.663,1085 3.249,1086 15.716,1087 19.745,1088 8.602,1089 31.754,1090 15.352,1091 2.042,1092 6.882,1093 27.539,1094 3.076,1095 16.862,1096 21.24,1097 9.292,1098 34.146,1099 16.475,1100 1.876,1101 5.741,1102 29.42,1103 2.735,1104 17.989,1105 22.699,1106 9.936,1107 36.524,1108 17.578,1109 13685,1110 20152,1111 23.868,1112 40.375,1113 52.975,1114 53.908,1115 54.251,1116 52.717,1117 52.638,1118 66.495,1119 8.192,1120 154.388,1121 51.073,1122 5.551,1123 5.771,1124 6.273,1125 5.214,1126 5.17,1127 7.474,1128 3.348,1129 18.278,1130 5.098,1131 13.24,1132 1.514,1133 1.54,1134 1.55,1135 1.506,1136 1.504,1137 1.9,1138 0.234,1139 4.411,1140 1.459,1141 4.099,1142 4.133,1143 4.055,1144 4.019,1145 7.427,1146 4.024,1147 4.014,1148 4.045,1149 3.961,1150 3.939,1151 4.983,1152 3.94,1153 3.792,1154 3.863,1155 3.683,1156 3.603,1157 4.721,1158 3.612,1159 3.574,1160 3.623,1161 3.481,1162 3.427,1163 4.44,1164 3.427,1165 3.508,1166 3.559,1167 3.404,1168 3.393,1169 4.285,1170 3.391,1171 3.335,1172 3.406,1173 3.184,1174 3.194,1175 4.069,1176 3.181,1177 3.213,1178 3.313,1179 3.023,1180 2.995,1181 3.969,1182 2.989,1183 3.111,1184 3.206,1185 2.916,1186 2.942,1187 3.86,1188 2.925,1189 0.13,1190 0.108,1191 0.193,1192 0.118,1193 0.091,1194 4.551,1195 0.128,1196 3.771,1197 0.055,1198 6.743,1199 0.312,1200 4.147,1201 0.089,1202 3.17,1203 4.474,1204 1.94,1205 10.929,1206 3.098,1207 2.048,1208 2.022,1209 2.129,1210 2.147,1211 1.382,1212 2.144,1213 1.99,1214 1.962,1215 2.099,1216 2.092,1217 1.315,1218 2.096,1219 1.75,1220 1.68,1221 1.951,1222 1.962,1223 1.192,1224 1.964,1225 1.546,1226 1.497,1227 1.762,1228 1.731,1229 1.022,1230 1.741,1231 1.508,1232 1.46,1233 1.724,1234 1.655,1235 0.825,1236 1.68,1237 1.347,1238 1.28,1239 1.62,1240 1.533,1241 0.821,1242 1.566,1243 1.213,1244 1.114,1245 1.572,1246 1.476,1247 0.795,1248 1.514,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.666,1254 1.429,1255 4.263,1257 5.602,1259 7.152,1261 8.798,1263 10.493,1265 3.943,1271 7.83,1276 6.892,1280 37.649,1281 84.357,1282 195.303,1283 271.536,1284 320.265,1285 324.265,1286 324.265,1287 42.818,1288 8.395,1289 39.68,1290 39.68,1291 30,1292 12.772,1293 4.248,1294 3.392,1295 43.984,1296 148,1297 127,1298 0.145,1299 228.031,1300 392.89,1301 548.156,1302 62496,1304 21.372,1305 0.689,1306 0.596,1307 21.372,1308 18.473,1309 15.097,1310 0.431,1311 0.323,1312 11.191,1313 14.655,1314 10.86,1315 8.944,1316 15.097,1317 11.31,1318 13.728,1319 0.275,1320 0.175,1321 13.728,1322 8.743,1323 12.204,1324 0.177,1325 0.099,1326 12.204,1327 6.831,1328 10.182,1329 0.112,1330 0.055,1331 10.182,1332 5,1333 8.702,1334 0.073,1335 0.031,1336 8.702,1337 3.691,1338 0.235,1339 93.379,1340 0.205,1341 29.45,1342 0.382,1343 170,1344 396.316,1345 181.179,1346 390.619,1347 551.65,1348 370,1349 204,1350 418.552,1351 216.374,1352 426.699,1353 628.24,1354 404,1355 10.1} {0 CHEMBL1290596,1 1.383,2 13.194,3 4.255,4 18.105,5 125.805,6 6.797,7 0.486,8 4.195,9 4.327,10 3.702,11 3.761,12 5.164,13 3.717,14 4.778,15 4.977,16 4.077,17 4.184,18 5.688,19 4.118,20 5.058,21 5.278,22 4.163,23 4.383,24 5.935,25 4.286,26 5.148,27 5.381,28 4.071,29 4.429,30 5.953,31 4.283,32 5.232,33 5.508,34 3.981,35 4.394,36 5.954,37 4.22,38 5.176,39 5.471,40 3.866,41 4.27,42 5.885,43 4.098,44 5.014,45 5.29,46 3.754,47 4.153,48 5.759,49 3.987,50 4.951,51 5.227,52 3.591,53 4.06,54 5.697,55 3.871,56 0.055,57 0.904,58 13.816,59 5.706,60 7.389,61 8.071,62 0.232,63 1.532,64 26.195,65 9.533,66 20.64,67 13.998,68 0.34,69 1.939,70 35.386,71 12.687,72 33.085,73 18.446,74 0.259,75 2.035,76 38.448,77 15.418,78 31.723,79 22.101,80 0.273,81 2.109,82 42.822,83 16.445,84 35.195,85 24.155,86 0.376,87 1.983,88 41.322,89 14.421,90 36.668,91 21.653,92 0.31,93 1.7,94 34.772,95 12.544,96 32.362,97 18.504,98 0.321,99 1.551,100 32.77,101 12.08,102 35.584,103 17.655,104 10,105 50,106 0.222,107 0.525,108 0.717,109 0.849,110 0.855,111 0.855,112 3.472,113 0.971,114 -4.36,115 -4.29,116 -4.05,119 42.6,120 2,121 3,125 5,140 7,141 4,142 2,144 2,156 1,169 12,172 8,174 1,176 3,178 15,181 1,182 6,186 3,189 14,192 1,193 7,197 2,199 11,203 8,208 1,211 4,215 8,218 1,222 1,225 1,226 5,233 2,236 1,237 3,244 4,249 4,252 1,256 8,259 1506,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.924,266 25.5,267 12.302,268 21.486,269 17.274,270 17.274,271 17.274,272 17.274,273 17.274,274 13.818,275 31.996,276 5.839,277 17.776,278 4.548,279 2.664,280 1.474,281 0.648,282 0.615,283 0.615,284 4.184,288 1,289 1,290 913,291 2.739,295 414.049,299 277.78,302 1.917,303 18.537,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 409,316 4.551,317 3.63,318 6.695,319 4.129,320 3.142,321 4.474,322 1.907,323 10.856,324 3.113,325 4.481,326 3.284,327 6.676,328 4.108,329 3.133,330 4.164,331 0.8,332 10.749,333 3.046,334 3.856,335 3.254,336 5.807,337 3.585,338 2.648,339 3.249,340 0.8,341 8.002,342 2.485,343 3.764,344 2.873,345 5.667,346 3.468,347 2.479,348 3.05,349 0.149,350 7.484,351 2.441,352 3.529,353 2.643,354 5.32,355 3.297,356 2.355,357 2.735,359 6.859,360 2.215,361 3.364,362 2.457,363 4.961,364 3.009,365 2.042,366 2.57,368 5.733,369 1.996,370 3.329,371 2.255,372 4.932,373 2.978,374 1.964,375 2.496,377 5.576,378 1.954,379 3.104,380 1.995,381 4.622,382 2.759,383 1.767,384 2.309,386 4.764,387 1.75,388 3.026,389 1.66,390 4.559,391 2.576,392 1.599,393 2.238,395 4.492,396 1.561,397 2.777,398 1.524,399 4.039,400 2.406,401 1.424,402 1.845,404 3.475,405 1.394,406 2.28,407 1.455,408 3.8,409 2.115,410 1.132,411 1.226,413 2.85,414 1.111,415 2.16,416 1.146,417 3.414,418 1.967,419 1,420 1.105,422 2.275,423 0.965,424 2,425 0.951,426 3.37,427 1.817,428 0.838,429 1,431 2.005,432 0.819,433 1.812,434 0.872,435 3.21,436 1.615,437 0.633,438 0.724,440 1.499,441 0.62,442 1.398,443 0.745,444 2.809,445 1.124,446 0.135,447 0.155,449 0.318,450 0.132,451 14.933,452 0.482,453 0.763,454 0.025,455 38.75,456 1.25,457 18.5,458 0.597,459 20.25,460 0.653,461 29.754,462 0.96,463 33.067,464 0.542,465 27.057,466 0.873,467 7.371,468 0.238,469 7.71,470 0.249,471 0.089,473 0.355,479 0.78,480 1.361,481 0.86,482 1.103,483 0.577,484 1.004,485 0.944,486 1.117,487 0.899,488 0.932,489 0.527,490 0.904,491 1.288,492 0.981,493 1.093,494 0.954,495 1.057,496 0.99,497 0.791,498 1.169,499 1.122,500 1.224,501 0.768,502 1.21,503 0.675,504 1.087,505 0.974,506 1.089,507 0.58,508 1.065,509 0.925,510 0.913,511 0.981,512 0.922,513 0.686,514 0.944,515 0.996,516 0.99,517 1.063,518 1.028,519 0.872,520 1.045,521 1.032,522 1.076,523 1.111,524 1.104,525 1.22,526 1.121,527 6,528 0.161,529 4,530 2.063,531 1.987,532 0.972,533 0.746,534 0.328,535 0.221,536 0.219,537 14757,538 31800,539 2.16,540 49.2,541 5,542 17,545 1,546 5,547 2,550 1.732,551 2.044,552 3.622,553 -0.425,555 1,559 84.357,560 1.383,561 3.266,562 4.457,563 5.283,564 5.316,565 5.316,566 2.997,567 4.672,568 4.93,569 3.814,570 1773.71,571 8.58,572 25876.5,574 1,577 361.775,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.039,584 0.043,585 0.024,586 0.021,587 0.01,588 0.008,589 0.01,590 0.413,591 0.33,592 0.88,593 0.486,594 162.877,595 0.018,596 -0.169,597 0.075,598 -0.034,599 -0.002,600 0.014,601 0.042,602 0.015,603 0.075,604 0.065,605 0.098,606 0.073,607 -0.159,608 0.107,609 -0.105,610 0.027,611 -0.093,612 -0.023,613 -0.027,614 -0.164,615 -0.17,616 -0.203,617 -0.03,618 -0.202,619 0.026,620 -0.144,621 -0.01,622 -0.095,623 0.022,624 -0.063,625 -0.022,626 0.046,627 0.011,628 0.026,629 -0.022,630 0.024,631 -0.045,632 -0.021,633 -0.076,634 -0.062,635 -0.039,636 -0.07,637 -0.014,638 -0.144,639 -0.124,640 -0.126,641 -0.095,642 -0.139,643 1.53,644 4.745,645 0.839,646 30.008,647 0.987,648 1.125,649 3.125,650 9.767,651 0.662,652 3.584,653 3.932,654 4.234,655 4.522,656 4.804,657 4.86,658 4.97,659 5.056,660 5.17,661 5.193,662 7.612,663 0.617,664 414.6,665 3.584,666 5.142,667 6.009,668 6.899,669 7.78,670 8.673,671 9.559,672 10.453,673 11.341,674 12.234,675 6.6,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,714 61,716 18,717 2,718 35,720 65,721 26,722 15,723 7,724 5,730 5,731 7,736 2,740 2,743 3,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 5,766 1,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,805 1,815 1,819 3,823 2,827 31,833 8,834 1,838 2,847 1.6,850 1,854 15.167,855 11.6,856 6.667,857 3.949,858 3.57,859 1.426,860 1.021,861 5.579,862 11.946,863 3.818,864 4.431,865 5.016,866 5.604,867 6.177,868 6.419,869 6.721,870 7.01,871 7.282,872 7.159,873 0.889,874 53,875 11.51,877 4.919,878 7.484,879 22.869,881 19.547,883 1.984,884 61.5,887 1,888 341.362,889 129.365,890 41.045,892 25.145,895 129.365,896 366.507,897 41.045,898 17.65,899 36.143,900 66.334,901 46.635,902 28.793,904 341.362,906 341.362,907 170.41,908 25.145,911 317.82,912 48.687,915 61.818,916 91.806,917 16.786,919 341.362,920 66.19,921 129.365,924 341.362,925 45.381,926 90.233,927 18.011,928 41.93,929 341.362,930 66.19,931 129.365,933 0.589,934 0.348,935 0.193,936 0.112,937 26,938 11,939 0.062,940 4,941 2,942 1.154,943 4.302,944 287.527,945 0.154,946 26,947 147.58,951 20.326,952 8.509,953 4.138,954 2.325,955 66.19,956 14.97,957 4.694,961 7.488,963 18.011,964 536.917,965 44.5,970 11.745,974 0.136,975 60.221,976 68.6,977 0.233,978 0.551,979 0.752,980 0.891,981 0.896,982 0.896,983 5.077,984 1.767,985 5.999,986 5.576,987 4.615,988 5.118,989 2.194,990 6.825,991 4.561,992 6.279,993 1.599,994 7.566,995 4.764,996 4.205,997 4.987,998 1.738,999 7.751,1000 4.124,1001 7.593,1002 1.424,1003 9.231,1004 4.492,1005 6.225,1006 7.331,1007 2.953,1008 10.864,1009 6.117,1010 8.94,1011 1.132,1012 10.956,1013 3.475,1014 6.621,1015 8.032,1016 3.061,1017 12.634,1018 6.493,1019 10.32,1020 1,1021 12.719,1022 2.85,1023 8.112,1024 9.878,1025 4.047,1026 15.271,1027 7.959,1028 11.723,1029 0.838,1030 14.51,1031 2.275,1032 8.895,1033 10.979,1034 4.414,1035 17.395,1036 8.727,1037 13.146,1038 0.633,1039 16.322,1040 2.005,1041 10.17,1042 12.62,1043 5.252,1044 19.869,1045 9.98,1046 3.142,1047 0.135,1048 18.151,1049 1.499,1050 11.14,1051 13.919,1052 5.75,1053 22.141,1054 10.938,1055 3.133,1056 10.856,1057 19.992,1058 0.318,1059 12.326,1060 15.47,1061 6.502,1062 24.556,1063 12.106,1064 2.648,1065 10.749,1066 21.843,1067 4.474,1068 13.386,1069 16.864,1070 7.068,1071 26.89,1072 13.153,1073 2.479,1074 8.002,1075 23.703,1076 4.164,1077 14.539,1078 18.375,1079 7.771,1080 29.282,1081 14.29,1082 2.355,1083 7.484,1084 25.569,1085 3.249,1086 15.64,1087 19.814,1088 8.374,1089 31.642,1090 15.378,1091 2.042,1092 6.859,1093 27.441,1094 3.05,1095 16.781,1096 21.308,1097 9.051,1098 34.027,1099 16.504,1100 1.964,1101 5.733,1102 29.318,1103 2.735,1104 17.902,1105 22.77,1106 9.674,1107 36.398,1108 17.611,1109 13554,1110 20014,1111 23.868,1112 40.375,1113 52.716,1114 54.015,1115 54.146,1116 52.592,1117 52.582,1118 66.679,1119 7.312,1120 153.876,1121 51.203,1122 5.551,1123 5.63,1124 6.215,1125 5.197,1126 5.142,1127 7.474,1128 3.306,1129 18.031,1130 5.113,1131 13.169,1132 1.506,1133 1.543,1134 1.547,1135 1.503,1136 1.502,1137 1.905,1138 0.209,1139 4.396,1140 1.463,1141 4.1,1142 4.134,1143 4.056,1144 4.02,1145 7.429,1146 4.025,1147 4.019,1148 4.048,1149 3.966,1150 3.952,1151 4.983,1152 3.951,1153 3.791,1154 3.862,1155 3.681,1156 3.601,1157 4.723,1158 3.611,1159 3.582,1160 3.629,1161 3.486,1162 3.431,1163 4.44,1164 3.433,1165 3.513,1166 3.566,1167 3.408,1168 3.406,1169 4.285,1170 3.4,1171 3.339,1172 3.413,1173 3.184,1174 3.193,1175 4.068,1176 3.18,1177 3.111,1178 3.206,1179 2.964,1180 2.959,1181 3.972,1182 2.947,1183 3.11,1184 3.196,1185 2.904,1186 2.941,1187 3.852,1188 2.915,1189 0.13,1190 0.104,1191 0.191,1192 0.118,1193 0.09,1194 4.551,1195 0.128,1196 3.63,1197 0.054,1198 6.695,1199 0.31,1200 4.129,1201 0.089,1202 3.142,1203 4.474,1204 1.907,1205 10.856,1206 3.113,1207 2.048,1208 2.022,1209 2.13,1210 2.147,1211 1.391,1212 2.145,1213 1.999,1214 1.974,1215 2.106,1216 2.094,1217 1.318,1218 2.099,1219 1.749,1220 1.679,1221 1.95,1222 1.96,1223 1.19,1224 1.962,1225 1.555,1226 1.506,1227 1.777,1228 1.74,1229 1.033,1230 1.751,1231 1.518,1232 1.469,1233 1.733,1234 1.663,1235 0.872,1236 1.688,1237 1.351,1238 1.281,1239 1.636,1240 1.544,1241 0.825,1242 1.579,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.803,1248 1.429,1249 1.131,1250 1.051,1251 1.463,1252 1.351,1253 0.561,1254 1.394,1255 4.263,1257 5.602,1259 7.148,1261 8.789,1263 10.478,1265 4.241,1271 7.782,1272 3.043,1276 5.075,1280 37.649,1281 84.357,1282 199.245,1283 271.885,1284 322.265,1285 324.265,1286 324.265,1287 42.658,1288 8.376,1289 48.47,1290 48.47,1291 30,1292 12.762,1293 4.248,1294 3.392,1295 43.935,1296 146,1297 127,1298 0.147,1299 228.031,1300 392.89,1301 548.156,1302 60891,1304 21.372,1305 0.689,1306 0.595,1307 21.372,1308 18.448,1309 15.081,1310 0.431,1311 0.324,1312 11.226,1313 14.674,1314 10.888,1315 8.969,1316 15.081,1317 11.332,1318 13.856,1319 0.277,1320 0.176,1321 13.856,1322 8.81,1323 11.948,1324 0.176,1325 0.1,1326 11.948,1327 6.781,1328 10.195,1329 0.112,1330 0.055,1331 10.195,1332 5.011,1333 8.789,1334 0.073,1335 0.031,1336 8.789,1337 3.707,1338 0.237,1339 93.064,1340 0.205,1341 29.402,1342 0.389,1343 170,1344 393.004,1345 180.818,1346 388.892,1347 548.58,1348 368,1349 203,1350 415.636,1351 214.209,1352 424.195,1353 623.27,1354 402,1355 8.3} {0 CHEMBL1290597,1 1.369,2 13.281,3 4.461,4 19.9,5 130.702,6 6.697,7 0.472,8 4.237,9 4.37,10 3.734,11 3.796,12 5.197,13 3.749,14 4.828,15 5.034,16 4.113,17 4.22,18 5.709,19 4.154,20 5.095,21 5.31,22 4.23,23 4.437,24 5.982,25 4.344,26 5.219,27 5.443,28 4.138,29 4.504,30 6.056,31 4.359,32 5.317,33 5.597,34 4.033,35 4.473,36 6.024,37 4.291,38 5.251,39 5.549,40 3.918,41 4.342,42 5.941,43 4.163,44 5.086,45 5.36,46 3.8,47 4.225,48 5.826,49 4.05,50 5.063,51 5.358,52 3.651,53 4.129,54 5.763,55 3.934,56 0.056,57 0.945,58 14.705,59 6.031,60 8.255,61 8.601,62 0.264,63 1.605,64 27.987,65 9.853,66 19.664,67 14.673,68 0.333,69 2.02,70 36.818,71 13.34,72 33.03,73 19.438,74 0.308,75 2.174,76 41.515,77 16.548,78 40.439,79 23.576,80 0.292,81 2.279,82 46.574,83 18.007,84 37.626,85 26.485,86 0.391,87 2.117,88 44.381,89 15.663,90 37.317,91 23.55,92 0.313,93 1.823,94 37.227,95 13.602,96 34.492,97 20.095,98 0.372,99 1.699,100 36.887,101 13.237,102 38.521,103 19.62,104 17,105 52,106 0.218,107 0.507,108 0.72,109 0.846,110 0.851,111 0.851,112 3.502,113 0.977,114 -4.56,115 -4.48,116 -4.22,119 42.2,120 2,121 3,124 1,125 5,140 7,141 4,142 2,144 2,156 1,169 12,171 1,172 11,178 15,181 1,182 9,189 14,192 1,193 9,199 11,203 9,211 4,214 1,215 8,222 1,225 1,226 5,233 2,236 1,237 3,244 4,248 1,249 4,256 8,259 1634,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.526,266 26.126,267 12.482,268 22.089,269 17.715,270 17.715,271 17.715,272 17.715,273 17.715,274 14.287,275 32.312,276 5.875,277 18.284,278 4.631,279 2.821,280 1.479,281 0.692,282 0.66,283 0.66,284 4.212,289 1,290 944,291 2.828,295 428.747,299 287.712,302 1.934,303 18.465,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 425,316 4.551,317 3.774,318 6.821,319 4.2,320 3.218,321 4.474,322 1.94,323 11.215,324 3.162,325 4.53,326 3.284,327 6.695,328 4.108,329 3.139,330 4.192,331 0.8,332 10.856,333 3.046,334 3.945,335 3.254,336 6.151,337 3.678,338 2.705,339 3.249,340 0.8,341 8.747,342 2.632,343 3.855,344 2.874,345 5.807,346 3.572,347 2.629,348 3.227,349 0.555,350 8,351 2.467,352 3.531,353 2.652,354 5.343,355 3.302,356 2.365,357 2.735,359 6.884,360 2.217,361 3.369,362 2.552,363 5.295,364 3.011,365 2.042,366 2.596,368 6.11,369 2,370 3.329,371 2.255,372 4.961,373 2.984,374 1.978,375 2.497,377 5.732,378 1.955,379 3.127,380 2.132,381 4.742,382 2.811,383 1.818,384 2.324,386 4.922,387 1.801,388 3.027,389 1.684,390 4.56,391 2.579,392 1.602,393 2.24,395 4.496,396 1.564,397 2.779,398 1.601,399 4.05,400 2.415,401 1.431,402 1.846,404 3.489,405 1.405,406 2.389,407 1.468,408 3.999,409 2.252,410 1.275,411 1.377,413 3.227,414 1.242,415 2.251,416 1.221,417 3.414,418 1.967,419 1,420 1.164,422 2.275,423 0.965,424 2,425 1.146,426 3.395,427 1.847,428 0.868,429 1,431 2.051,432 0.848,433 1.943,434 0.925,435 3.331,436 1.712,437 0.731,438 0.853,440 1.761,441 0.715,442 1.612,443 0.834,444 2.932,445 1.326,446 0.309,447 0.363,449 0.714,450 0.311,451 15.433,452 0.482,453 0.836,454 0.026,455 39.5,456 1.234,457 18.5,458 0.578,459 21,460 0.656,461 31.963,462 0.999,463 34.367,464 0.537,465 28.413,466 0.888,467 7.536,468 0.235,469 7.972,470 0.249,471 0.119,473 0.369,479 0.754,480 1.439,481 0.868,482 1.155,483 0.575,484 1.041,485 1.044,486 1.051,487 0.891,488 0.86,489 0.558,490 0.848,491 1.265,492 0.998,493 1.07,494 0.968,495 1.004,496 0.988,497 1.028,498 1.19,499 1.195,500 1.248,501 1.173,502 1.246,503 0.656,504 1.088,505 0.98,506 1.097,507 0.572,508 1.073,509 0.896,510 0.906,511 0.964,512 0.917,513 0.653,514 0.935,515 0.966,516 1.065,517 1.095,518 1.097,519 0.876,520 1.104,521 1.037,522 0.949,523 1.016,524 0.961,525 1.125,526 0.987,527 6,528 0.174,529 4.667,530 2.375,531 2.218,532 1.146,533 0.746,534 0.391,535 0.27,536 0.229,537 15802,538 33281,539 2.135,540 50,541 5,542 20,546 5,547 2,550 1.74,551 2,552 3.637,553 -0.836,559 87.618,560 1.369,561 3.179,562 4.521,563 5.308,564 5.34,565 5.34,566 3.018,567 4.688,568 4.977,569 3.832,570 1900.46,571 8.673,572 28318.1,574 1,577 384,578 1.406,579 4.933,580 0.167,581 0.007,582 0.09,583 0.042,584 0.045,585 0.027,586 0.02,587 0.012,588 0.01,589 0.009,590 0.427,591 0.33,592 0.88,593 0.531,594 169.669,595 0.051,596 -0.239,597 0.084,598 -0.071,600 -0.006,601 0.021,602 0.094,603 0.103,604 0.13,605 0.068,606 0.127,607 -0.129,608 0.104,609 -0.077,610 0.025,611 -0.037,612 -0.011,613 -0.089,614 -0.174,615 -0.228,616 -0.22,617 -0.1,618 -0.238,619 0.027,620 -0.145,621 -0.019,622 -0.101,623 0.017,624 -0.071,625 -0.012,626 0.048,627 0.023,628 0.033,629 -0.007,630 0.033,631 -0.037,632 -0.092,633 -0.113,634 -0.126,635 -0.051,636 -0.126,637 -0.004,638 -0.029,639 -0.024,640 -0.003,641 -0.057,642 -0.016,643 1.442,644 5.113,645 0.813,646 31.063,647 0.986,648 1.125,649 3.326,650 11.066,651 0.658,652 3.611,653 3.97,654 4.29,655 4.564,656 4.844,657 4.92,658 5.024,659 5.106,660 5.209,661 5.247,662 7.723,663 0.612,664 428.63,665 3.611,666 5.176,667 6.052,668 6.946,669 7.836,670 8.733,671 9.626,672 10.525,673 11.42,674 12.318,675 6.3,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,714 64,716 18,717 2,718 36,720 68,721 27,722 15,723 7,724 5,730 5,731 7,736 2,740 2,743 3,745 16,746 11,750 1,755 1,759 1,764 32,765 5,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,815 1,819 3,823 3,827 32,833 8,838 3,847 1.6,850 1,854 16,855 12.55,856 6.889,857 4.124,858 3.574,859 1.422,860 1.01,861 5.814,862 12.034,863 3.839,864 4.454,865 5.055,866 5.629,867 6.2,868 6.457,869 6.758,870 7.035,871 7.302,872 7.193,873 0.889,874 57,875 11.89,877 5.064,878 7.469,879 23.651,881 20.163,883 1.969,884 63,888 376.675,889 137.761,890 26.158,892 25.145,895 137.761,896 401.82,897 26.158,898 26.047,899 21.256,900 66.334,901 46.635,902 28.793,904 376.675,906 376.675,907 163.92,908 25.145,911 353.133,912 48.687,915 46.932,916 100.202,917 16.786,919 376.675,920 51.303,921 137.761,924 376.675,925 45.381,926 101.753,928 41.93,929 376.675,930 51.303,931 137.761,933 0.593,934 0.359,935 0.193,936 0.11,937 27,938 12,939 0.059,940 4,941 2,942 1.154,943 4.329,944 302.181,945 0.154,946 26,947 154,951 21.271,952 8.746,953 4.12,954 2.328,955 51.303,956 15.072,957 4.701,961 7.642,964 565.74,965 45.5,970 12.113,974 0.224,975 63.105,976 72.015,977 0.228,978 0.53,979 0.754,980 0.885,981 0.89,982 0.89,983 5.107,984 1.818,985 6.052,986 5.732,987 4.654,988 5.142,989 2.263,990 6.899,991 4.595,992 6.314,993 1.602,994 7.637,995 4.922,996 4.29,997 5.027,998 1.803,999 7.872,1000 4.193,1001 7.633,1002 1.431,1003 9.321,1004 4.496,1005 6.286,1006 7.357,1007 3.014,1008 10.995,1009 6.166,1010 8.986,1011 1.275,1012 11.065,1013 3.489,1014 6.735,1015 8.074,1016 3.157,1017 12.796,1018 6.582,1019 10.373,1020 1,1021 12.846,1022 3.227,1023 8.206,1024 9.907,1025 4.14,1026 15.449,1027 8.032,1028 11.783,1029 0.868,1030 14.653,1031 2.275,1032 9.029,1033 11.018,1034 4.543,1035 17.593,1036 8.83,1037 13.212,1038 0.731,1039 16.48,1040 2.051,1041 10.297,1042 12.652,1043 5.383,1044 20.085,1045 10.077,1046 3.218,1047 0.309,1048 18.322,1049 1.761,1050 11.296,1051 13.954,1052 5.912,1053 22.375,1054 11.055,1055 3.139,1056 11.215,1057 20.175,1058 0.714,1059 12.484,1060 15.501,1061 6.67,1062 24.809,1063 12.223,1064 2.705,1065 10.856,1066 22.038,1067 4.474,1068 13.564,1069 16.896,1070 7.263,1071 27.161,1072 13.285,1073 2.629,1074 8.747,1075 23.908,1076 4.192,1077 14.724,1078 18.406,1079 7.976,1080 29.575,1081 14.425,1082 2.365,1083 8,1084 25.785,1085 3.249,1086 15.842,1087 19.845,1088 8.602,1089 31.955,1090 15.525,1091 2.042,1092 6.884,1093 27.666,1094 3.227,1095 16.994,1096 21.338,1097 9.292,1098 34.361,1099 16.657,1100 1.978,1101 6.11,1102 29.552,1103 2.735,1104 18.13,1105 22.8,1106 9.936,1107 36.754,1108 17.775,1109 14588,1110 21285,1111 24.274,1112 42.137,1113 54.563,1114 55.719,1115 56.328,1116 54.279,1117 54.221,1118 68.275,1119 8.192,1120 160.96,1121 52.659,1122 5.551,1123 5.774,1124 6.341,1125 5.267,1126 5.218,1127 7.474,1128 3.348,1129 18.696,1130 5.162,1131 15.397,1132 1.516,1133 1.548,1134 1.565,1135 1.508,1136 1.506,1137 1.897,1138 0.228,1139 4.471,1140 1.463,1141 4.101,1142 4.136,1143 4.057,1144 4.021,1145 7.427,1146 4.026,1147 4.026,1148 4.055,1149 3.976,1150 3.957,1151 4.983,1152 3.957,1153 3.793,1154 3.864,1155 3.683,1156 3.603,1157 4.712,1158 3.612,1159 3.604,1160 3.652,1161 3.512,1162 3.447,1163 4.44,1164 3.453,1165 3.514,1166 3.567,1167 3.409,1168 3.409,1169 4.285,1170 3.402,1171 3.344,1172 3.418,1173 3.188,1174 3.198,1175 4.104,1176 3.185,1177 3.219,1178 3.318,1179 3.026,1180 3.01,1181 3.972,1182 3,1183 3.111,1184 3.206,1185 2.919,1186 2.946,1187 3.861,1188 2.929,1189 0.126,1190 0.105,1191 0.189,1192 0.117,1193 0.089,1194 4.551,1195 0.124,1196 3.774,1197 0.054,1198 6.821,1199 0.312,1200 4.2,1201 0.088,1202 3.218,1203 4.474,1204 1.94,1205 11.215,1206 3.162,1207 2.048,1208 2.022,1209 2.13,1210 2.148,1211 1.397,1212 2.145,1213 2.004,1214 1.979,1215 2.109,1216 2.1,1217 1.322,1218 2.104,1219 1.75,1220 1.68,1221 1.952,1222 1.962,1223 1.192,1224 1.964,1225 1.572,1226 1.523,1227 1.791,1228 1.76,1229 1.038,1230 1.77,1231 1.519,1232 1.47,1233 1.733,1234 1.663,1235 0.873,1236 1.689,1237 1.357,1238 1.287,1239 1.641,1240 1.549,1241 0.825,1242 1.584,1243 1.225,1244 1.128,1245 1.585,1246 1.483,1247 0.803,1248 1.524,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.693,1254 1.429,1255 4.29,1257 5.638,1259 7.195,1261 8.848,1263 10.55,1265 6.162,1271 7.833,1276 6.924,1280 39.176,1281 87.618,1282 203.481,1283 289.355,1284 339.735,1285 341.735,1286 341.735,1287 45.583,1288 8.46,1289 39.68,1290 39.68,1291 30,1292 12.842,1293 4.248,1294 3.392,1295 46.024,1296 153,1297 136,1298 0.147,1299 237.624,1300 410.19,1301 571.561,1302 67085,1304 22.242,1305 0.695,1306 0.606,1307 22.242,1308 19.395,1309 15.508,1310 0.431,1311 0.326,1312 11.607,1313 15.066,1314 11.207,1315 9.254,1316 15.508,1317 11.727,1318 14.255,1319 0.274,1320 0.177,1321 14.255,1322 9.187,1323 12.685,1324 0.176,1325 0.1,1326 12.685,1327 7.204,1328 10.509,1329 0.111,1330 0.055,1331 10.509,1332 5.272,1333 8.936,1334 0.071,1335 0.031,1336 8.936,1337 3.865,1338 0.237,1339 95.843,1340 0.203,1341 30.125,1342 0.389,1343 176,1344 404.316,1345 187.179,1346 399.191,1347 564.68,1348 378,1349 212,1350 429.552,1351 224.374,1352 438.957,1353 646.4,1354 415,1355 9} {0 CHEMBL1290715,1 1.409,2 13.167,3 3.746,4 14.03,5 121.932,6 7.117,7 0.5,8 4.12,9 4.247,10 3.669,11 3.7,12 5.137,13 3.666,14 4.68,15 4.865,16 4.035,17 4.111,18 5.658,19 4.056,20 4.96,21 5.179,22 4.1,23 4.295,24 5.869,25 4.205,26 5.029,27 5.262,28 3.993,29 4.317,30 5.857,31 4.179,32 5.082,33 5.352,34 3.891,35 4.266,36 5.85,37 4.106,38 4.993,39 5.27,40 3.774,41 4.137,42 5.763,43 3.977,44 4.852,45 5.122,46 3.643,47 4.008,48 5.631,49 3.854,50 4.733,51 4.995,52 3.515,53 3.912,54 5.509,55 3.746,56 0.042,57 0.829,58 11.928,59 5.059,60 7.178,61 6.965,62 0.209,63 1.405,64 22.636,65 8.341,66 22.093,67 11.903,68 0.304,69 1.778,70 31.258,71 11.334,72 32.362,73 16.128,74 0.216,75 1.821,76 33.553,77 13.635,78 29.715,79 19.342,80 0.252,81 1.856,82 36.914,83 14.164,84 35.683,85 20.525,86 0.284,87 1.704,88 34.123,89 12.532,90 35.142,91 18.286,92 0.292,93 1.485,94 29.627,95 10.631,96 33.539,97 15.401,98 0.246,99 1.311,100 25.95,101 9.781,102 27.646,103 14.151,104 5,105 48,106 0.229,107 0.564,108 0.731,109 0.851,110 0.862,111 0.862,112 3.44,113 0.937,114 -4.08,115 -4.02,116 -3.81,119 44.6,120 1,121 1,125 5,134 2,140 8,141 3,142 2,144 2,156 1,169 11,172 8,174 1,176 3,178 13,181 1,182 6,186 3,189 11,192 1,193 7,197 2,199 10,203 7,211 3,215 8,218 1,222 1,225 1,226 4,233 2,236 1,237 2,244 4,249 4,252 1,256 8,259 1376,260 20.67,261 20.67,262 20.67,263 20.67,264 20.67,265 18.371,266 25.439,267 12.128,268 20.986,269 16.807,270 16.807,271 16.807,272 16.807,273 16.807,274 13.246,275 35.162,276 5.768,277 17.308,278 4.398,279 2.347,280 1.321,281 0.585,282 0.513,283 0.513,284 4.156,288 1,289 1,290 886,291 2.646,295 400.254,299 268.055,302 1.956,303 17.322,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 395,316 4.551,317 3.505,318 6.695,319 4.109,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.416,326 3.28,327 6.518,328 4.045,329 3.056,330 4.076,331 0.8,332 10.25,333 3.024,334 3.856,335 3.068,336 5.807,337 3.584,338 2.647,339 3.249,340 0.8,341 8.002,342 2.475,343 3.695,344 2.866,345 5.378,346 3.374,347 2.408,348 2.958,350 6.98,351 2.348,352 3.529,353 2.64,354 5.267,355 3.27,356 2.294,357 2.735,359 6.616,360 2.207,361 3.349,362 2.276,363 4.961,364 3.007,365 2.041,366 2.551,368 5.733,369 1.969,370 3.244,371 2.205,372 4.809,373 2.864,374 1.866,375 2.438,377 5.274,378 1.851,379 3.028,380 1.652,381 4.559,382 2.576,383 1.599,384 2.243,386 4.493,387 1.562,388 2.962,389 1.573,390 4.189,391 2.516,392 1.515,393 2.109,395 3.793,396 1.514,397 2.776,398 1.476,399 4.035,400 2.398,401 1.417,402 1.843,404 3.463,405 1.386,406 2.512,407 1.182,408 3.451,409 2.031,410 1.049,411 1.368,413 2.412,414 1.028,415 2.256,416 1.146,417 3.414,418 1.967,419 1,420 1.159,422 2.275,423 0.965,424 2,425 0.899,426 3.364,427 1.817,428 0.838,429 1,431 1.999,432 0.819,433 1.806,434 0.779,435 3.154,436 1.556,437 0.575,438 0.68,440 1.375,441 0.563,442 1.3,443 0.592,444 2.645,445 0.852,446 -0.136,447 -0.158,449 -0.338,450 -0.133,451 14.433,452 0.481,453 0.674,454 0.022,455 39.75,456 1.325,457 20,458 0.667,459 19.75,460 0.658,461 25.121,462 0.837,463 31.167,464 0.557,465 28.151,466 0.938,467 7.811,468 0.26,469 6.859,470 0.229,471 0.058,473 0.333,479 0.777,480 1.322,481 0.811,482 1.051,483 0.571,484 0.95,485 0.978,486 1.132,487 0.916,488 0.935,489 0.517,490 0.91,491 1.198,492 0.958,493 1.064,494 0.931,495 0.878,496 0.966,497 0.696,498 1.129,499 1.066,500 1.185,501 0.628,502 1.168,503 0.738,504 1.024,505 0.982,506 1.048,507 0.631,508 1.04,509 0.835,510 1.003,511 1.005,512 1.024,513 0.712,514 1.027,515 1.078,516 0.955,517 1.082,518 0.987,519 1.004,520 1.026,521 0.836,522 1.075,523 1.105,524 1.116,525 0.834,526 1.135,527 5.5,528 0.128,529 3.556,530 1.75,531 1.716,532 0.833,533 0.584,534 0.313,535 0.2,536 0.199,537 13872,538 31828,539 2.186,540 46.4,542 20,545 1,546 3,547 2,550 1.722,551 2.093,552 3.631,553 -0.415,555 1,559 78.904,560 1.409,561 3.46,562 4.486,563 5.222,564 5.294,565 5.294,566 3.023,567 4.548,568 4.882,569 3.815,570 1659.61,571 8.478,572 23764.6,574 1,577 325.212,578 1.231,579 4.859,580 0.162,581 0.006,582 0.074,583 0.035,584 0.04,585 0.022,586 0.018,587 0.011,588 0.008,589 0.009,590 0.384,591 0.5,592 0.88,593 0.424,594 156.398,595 0.006,596 -0.174,597 0.072,598 -0.037,599 -0.012,600 0.012,601 0.013,602 -0.007,603 0.027,604 0.029,605 0.109,606 0.031,607 -0.146,608 0.111,609 -0.097,610 0.031,611 -0.042,612 -0.016,613 0.01,614 -0.152,615 -0.12,616 -0.178,617 0.011,618 -0.166,619 0.001,620 -0.084,621 -0.004,622 -0.055,623 0.005,624 -0.034,625 0.01,626 -0.05,627 -0.011,628 -0.051,629 -0.015,630 -0.036,631 -0.082,632 0.014,633 -0.082,634 -0.023,635 -0.113,636 -0.049,637 0.02,638 -0.121,639 -0.123,640 -0.132,641 -0.059,642 -0.143,643 1.713,644 4.574,645 0.867,646 29.209,647 0.99,648 1.121,649 2.847,650 8.105,651 0.676,652 3.555,653 3.892,654 4.19,655 4.477,656 4.754,657 4.796,658 4.898,659 5.011,660 5.118,661 5.136,662 7.585,663 0.636,664 398.55,665 3.555,666 5.106,667 5.969,668 6.853,669 7.73,670 8.617,671 9.498,672 10.387,673 11.269,674 12.158,675 7.1,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,714 56,716 19,717 2,718 34,720 60,721 25,722 15,723 6,724 6,725 3,730 5,731 7,736 1,743 1,745 18,746 7,750 2,755 1,757 2,759 1,761 1,764 26,765 5,766 1,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,805 1,810 2,815 1,819 3,823 1,827 30,833 6,834 1,838 2,847 1.8,850 1,854 14.333,855 10.35,856 6.472,857 3.525,858 3.909,859 1.471,860 1.033,861 5.179,862 12.216,863 3.818,864 4.419,865 5.022,866 5.618,867 6.196,868 6.45,869 6.756,870 7.077,871 7.355,872 7.217,873 0.889,874 50,875 11.104,877 4.752,878 7.528,879 21.876,881 18.563,883 2.028,884 60.833,887 1,888 294.278,889 140.714,890 41.045,892 25.145,895 140.714,896 319.422,897 41.045,898 8.825,899 31.074,900 94.762,901 46.635,902 25.607,904 294.278,906 294.278,907 181.759,908 25.145,911 270.735,912 48.687,915 47.924,916 98.097,917 35.738,919 294.278,920 66.19,921 140.714,924 294.278,925 37.126,926 109.836,927 18.011,928 41.93,929 294.278,930 66.19,931 140.714,933 0.584,934 0.344,935 0.193,936 0.111,937 25,938 10,939 0.067,940 4,941 2,942 1.154,943 4.277,944 272.868,945 0.154,946 26,947 141.207,951 19.139,952 8.117,953 3.957,954 2.31,955 66.19,956 16.889,957 4.68,961 5.709,963 18.011,964 501.181,965 44.5,970 11.574,972 3.558,974 -0.047,975 55.454,976 62.77,977 0.243,978 0.596,979 0.773,980 0.899,981 0.912,982 0.912,983 5.064,984 1.599,985 5.948,986 5.274,987 4.575,988 5.106,989 1.641,990 6.76,991 4.519,992 6.262,993 1.515,994 7.503,995 4.493,996 4.111,997 4.89,998 0.57,999 7.653,1000 4.022,1001 7.566,1002 1.417,1003 9.156,1004 3.793,1005 6.168,1006 7.31,1007 1.488,1008 10.764,1009 6.053,1010 8.905,1011 1.049,1012 10.87,1013 3.463,1014 6.524,1015 7.949,1016 0.479,1017 12.512,1018 6.381,1019 10.277,1020 1,1021 12.624,1022 2.412,1023 8.036,1024 9.839,1025 1.47,1026 15.137,1027 7.87,1028 11.673,1029 0.838,1030 14.406,1031 2.275,1032 8.79,1033 10.906,1034 0.346,1035 17.243,1036 8.601,1037 13.089,1038 0.575,1039 16.21,1040 1.999,1041 10.073,1042 12.568,1043 1.501,1044 19.702,1045 9.862,1046 3.139,1047 -0.136,1048 18.029,1049 1.375,1050 11.022,1051 13.848,1052 0.237,1053 21.958,1054 10.792,1055 3.056,1056 10.856,1057 19.862,1058 -0.338,1059 12.208,1060 15.408,1061 1.556,1062 24.357,1063 11.957,1064 2.647,1065 10.25,1066 21.706,1067 4.474,1068 13.251,1069 16.792,1070 0.158,1071 26.676,1072 12.982,1073 2.408,1074 8.002,1075 23.557,1076 4.076,1077 14.398,1078 18.307,1079 1.626,1080 29.054,1081 14.109,1082 2.294,1083 6.98,1084 25.416,1085 3.249,1086 15.486,1087 19.741,1088 0.104,1089 31.4,1090 15.178,1091 2.041,1092 6.616,1093 27.28,1094 2.958,1095 16.62,1096 21.237,1097 1.706,1098 33.771,1099 16.291,1100 1.866,1101 5.733,1102 29.149,1103 2.735,1104 17.729,1105 22.697,1106 0.068,1107 36.129,1108 17.381,1109 12673,1110 19328,1111 23.463,1112 37.853,1113 51.313,1114 52.136,1115 52.144,1116 50.888,1117 50.891,1118 65.767,1119 5.317,1120 147.041,1121 49.511,1122 5.551,1123 5.505,1124 6.232,1125 5.176,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 10.734,1132 1.509,1133 1.533,1134 1.534,1135 1.497,1136 1.497,1137 1.934,1138 0.156,1139 4.325,1140 1.456,1141 4.097,1142 4.131,1143 4.055,1144 4.018,1145 7.43,1146 4.023,1147 4.006,1148 4.033,1149 3.959,1150 3.938,1151 4.983,1152 3.939,1153 3.791,1154 3.861,1155 3.683,1156 3.602,1157 4.768,1158 3.612,1159 3.543,1160 3.591,1161 3.459,1162 3.421,1163 4.441,1164 3.418,1165 3.498,1166 3.541,1167 3.401,1168 3.376,1169 4.287,1170 3.38,1171 3.327,1172 3.395,1173 3.18,1174 3.188,1175 4.175,1176 3.176,1177 3.111,1178 3.206,1179 2.958,1180 2.954,1181 3.981,1182 2.942,1183 3.089,1184 3.163,1185 2.866,1186 2.941,1187 3.875,1188 2.91,1189 0.134,1190 0.103,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.505,1197 0.031,1198 6.695,1199 0.319,1200 4.109,1201 0.09,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.362,1212 2.144,1213 1.983,1214 1.959,1215 2.08,1216 2.076,1217 1.26,1218 2.078,1219 1.748,1220 1.679,1221 1.945,1222 1.957,1223 1.167,1224 1.958,1225 1.529,1226 1.482,1227 1.737,1228 1.691,1229 0.911,1230 1.704,1231 1.478,1232 1.44,1233 1.672,1234 1.638,1235 0.825,1236 1.653,1237 1.337,1238 1.272,1239 1.58,1240 1.514,1241 0.804,1242 1.54,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.619,1248 1.429,1249 1.112,1250 1.04,1251 1.424,1252 1.303,1253 0.48,1254 1.349,1255 4.234,1257 5.565,1259 7.102,1261 8.736,1263 10.417,1265 2.04,1271 6.17,1272 2.929,1276 5.021,1280 35.595,1281 78.904,1282 193.78,1283 251.238,1284 292.457,1285 296.457,1286 296.457,1287 38.193,1288 8.306,1289 52.23,1290 52.23,1291 30,1292 12.689,1293 4.322,1294 3.524,1295 41.934,1296 141,1297 122,1298 0.146,1299 215.511,1300 372.95,1301 517.608,1302 56332,1304 20.501,1305 0.683,1306 0.576,1307 20.501,1308 17.266,1309 14.67,1310 0.431,1311 0.312,1312 10.513,1313 14.263,1314 10.251,1315 8.444,1316 14.67,1317 10.619,1318 13.328,1319 0.278,1320 0.168,1321 13.328,1322 8.076,1323 11.467,1324 0.176,1325 0.094,1326 11.467,1327 6.114,1328 9.877,1329 0.114,1330 0.051,1331 9.877,1332 4.478,1333 8.492,1334 0.074,1335 0.029,1336 8.492,1337 3.295,1338 0.235,1339 90.6,1340 0.206,1341 28.716,1342 0.382,1343 164,1344 395.004,1345 174.818,1346 391.459,1347 551.47,1348 370,1349 195,1350 417.636,1351 206.209,1352 426.256,1353 626.12,1354 404,1355 9.9} {0 CHEMBL1290716,1 1.394,2 13.258,3 3.952,4 15.614,5 126.829,6 6.993,7 0.486,8 4.166,9 4.293,10 3.702,11 3.737,12 5.171,13 3.7,14 4.734,15 4.929,16 4.072,17 4.15,18 5.678,19 4.095,20 5.001,21 5.214,22 4.172,23 4.354,24 5.921,25 4.268,26 5.107,27 5.332,28 4.064,29 4.398,30 5.973,31 4.26,32 5.166,33 5.437,34 3.946,35 4.347,36 5.922,37 4.18,38 5.066,39 5.344,40 3.812,41 4.206,42 5.821,43 4.038,44 4.934,45 5.213,46 3.683,47 4.066,48 5.687,49 3.903,50 4.807,51 5.08,52 3.577,53 3.967,54 5.554,55 3.804,56 0.043,57 0.871,58 12.839,59 5.397,60 7.779,61 7.518,62 0.244,63 1.481,64 24.563,65 8.69,66 20.912,67 12.623,68 0.295,69 1.856,70 32.643,71 11.959,72 31.359,73 17.109,74 0.268,75 1.956,76 36.567,77 14.732,78 38.939,79 20.742,80 0.267,81 2.004,82 40.091,83 15.499,84 37.343,85 22.529,86 0.295,87 1.818,88 36.649,89 13.572,90 35.824,91 19.875,92 0.303,93 1.589,94 32.336,95 11.636,96 34.923,97 17.015,98 0.283,99 1.404,100 28.258,101 10.303,102 28.22,103 15.1,104 10,105 50,106 0.225,107 0.545,108 0.734,109 0.846,110 0.857,111 0.857,112 3.472,113 0.944,114 -4.28,115 -4.22,116 -3.98,119 44.1,120 1,121 1,124 1,125 5,134 2,140 8,141 3,142 2,144 2,156 1,169 11,171 1,172 11,178 13,181 1,182 9,189 11,192 1,193 9,199 10,203 7,211 3,214 1,215 8,222 1,225 1,226 4,233 2,236 1,237 2,244 4,248 1,249 4,256 8,259 1504,260 21.223,261 21.223,262 21.223,263 21.223,264 21.223,265 18.973,266 26.056,267 12.309,268 21.589,269 17.248,270 17.248,271 17.248,272 17.248,273 17.248,274 13.717,275 35.168,276 5.804,277 17.817,278 4.488,279 2.507,280 1.334,281 0.636,282 0.568,283 0.568,284 4.184,288 1,289 1,290 917,291 2.739,295 414.951,299 277.987,302 1.975,303 17.434,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 411,316 4.551,317 3.671,318 6.743,319 4.147,320 3.17,321 4.474,322 1.2,323 10.929,324 3.098,325 4.489,326 3.28,327 6.695,328 4.108,329 3.139,330 4.12,331 0.8,332 10.856,333 3.046,334 3.861,335 3.071,336 5.935,337 3.601,338 2.658,339 3.249,340 0.8,341 8.12,342 2.529,343 3.834,344 2.868,345 5.807,346 3.525,347 2.549,348 3.115,349 0.293,350 7.994,351 2.456,352 3.53,353 2.645,354 5.33,355 3.296,356 2.356,357 2.735,359 6.882,360 2.214,361 3.351,362 2.401,363 5.041,364 3.008,365 2.042,366 2.559,368 5.741,369 1.969,370 3.276,371 2.249,372 4.959,373 2.879,374 1.876,375 2.455,377 5.527,378 1.869,379 3.031,380 1.676,381 4.56,382 2.588,383 1.608,384 2.245,386 4.497,387 1.575,388 2.981,389 1.628,390 4.343,391 2.547,392 1.555,393 2.127,395 4.036,396 1.54,397 2.779,398 1.479,399 4.035,400 2.399,401 1.418,402 1.847,404 3.464,405 1.387,406 2.628,407 1.429,408 3.652,409 2.199,410 1.217,411 1.582,413 2.762,414 1.192,415 2.256,416 1.146,417 3.414,418 1.967,419 1,420 1.166,422 2.275,423 0.965,424 2,425 0.958,426 3.375,427 1.832,428 0.854,429 1,431 2.03,432 0.834,433 1.842,434 0.897,435 3.234,436 1.604,437 0.628,438 0.715,440 1.525,441 0.612,442 1.796,443 0.723,444 2.804,445 1.273,446 0.249,447 0.352,449 0.555,450 0.252,451 14.933,452 0.482,453 0.747,454 0.024,455 40.5,456 1.306,457 20,458 0.645,459 20.5,460 0.661,461 27.102,462 0.874,463 32.467,464 0.55,465 29.616,466 0.955,467 7.976,468 0.257,469 7.122,470 0.23,471 0.089,473 0.348,479 0.75,480 1.406,481 0.82,482 1.108,483 0.568,484 0.991,485 1.079,486 1.059,487 0.903,488 0.855,489 0.551,490 0.846,491 1.172,492 0.977,493 1.038,494 0.946,495 0.822,496 0.964,497 0.945,498 1.143,499 1.138,500 1.201,501 1.057,502 1.197,503 0.719,504 1.036,505 0.992,506 1.065,507 0.623,508 1.056,509 0.819,510 1.026,511 1.021,512 1.051,513 0.71,514 1.052,515 1.021,516 0.968,517 1.039,518 0.981,519 0.969,520 1.005,521 0.912,522 0.988,523 1.058,524 1.008,525 0.795,526 1.039,527 5.5,528 0.14,529 4.222,530 2.063,531 1.947,532 0.951,533 0.584,534 0.375,535 0.25,536 0.209,537 14897,538 33301,539 2.16,540 47.5,542 23,546 3,547 2,550 1.731,551 2.044,552 3.646,553 -0.831,555 1,559 82.259,560 1.394,561 3.376,562 4.548,563 5.247,564 5.315,565 5.315,566 3.042,567 4.736,568 4.931,569 3.833,570 1782.43,571 8.575,572 26118.4,574 1,577 347.076,578 1.332,579 4.896,580 0.157,581 0.006,582 0.084,583 0.038,584 0.042,585 0.024,586 0.017,587 0.013,588 0.009,589 0.009,590 0.399,591 0.33,592 0.88,593 0.486,594 163.194,595 0.041,596 -0.247,597 0.083,598 -0.077,599 -0.007,600 -0.01,601 -0.008,602 0.082,603 0.063,604 0.106,605 0.077,606 0.097,607 -0.116,608 0.106,609 -0.069,610 0.026,611 0.016,612 -0.006,613 -0.059,614 -0.156,615 -0.182,616 -0.19,617 -0.073,618 -0.2,619 0.002,620 -0.094,621 -0.021,622 -0.071,623 0.002,624 -0.052,625 0.01,626 -0.072,627 -0.035,628 -0.078,629 -0.022,630 -0.064,631 -0.046,632 -0.009,633 -0.04,634 -0.017,635 -0.092,636 -0.027,637 0.002,638 -0.022,639 -0.069,640 -0.038,641 -0.039,642 -0.057,643 1.625,644 4.942,645 0.839,646 30.177,647 0.989,648 1.122,649 3.051,650 9.311,651 0.671,652 3.584,653 3.932,654 4.248,655 4.522,656 4.796,657 4.844,658 4.956,659 5.056,660 5.159,661 5.187,662 7.708,663 0.629,664 412.58,665 3.584,666 5.142,667 6.014,668 6.903,669 7.788,670 8.68,671 9.569,672 10.462,673 11.352,674 12.245,675 6.8,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,714 59,716 19,717 2,718 35,720 63,721 26,722 15,723 6,724 6,725 3,730 5,731 7,736 1,743 1,745 18,746 8,750 2,755 1,757 2,759 1,761 1,764 28,765 5,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,806 1,810 2,815 1,819 3,823 2,827 31,833 6,838 3,847 1.7,850 1,854 15.167,855 11.3,856 6.694,857 3.7,858 3.924,859 1.467,860 1.021,861 5.412,862 12.319,863 3.839,864 4.443,865 5.061,866 5.647,867 6.224,868 6.483,869 6.802,870 7.105,871 7.385,872 7.264,873 0.889,874 54,875 11.484,877 4.897,878 7.511,879 22.658,881 19.179,883 2.011,884 62.333,887 1,888 329.591,889 149.11,890 26.158,892 25.145,895 149.11,896 354.736,897 26.158,898 17.222,899 16.187,900 94.762,901 46.635,902 25.607,904 329.591,906 329.591,907 175.269,908 25.145,911 306.049,912 48.687,915 33.038,916 106.493,917 35.738,919 329.591,920 51.303,921 149.11,924 329.591,925 37.126,926 121.357,928 41.93,929 329.591,930 51.303,931 149.11,933 0.589,934 0.355,935 0.194,936 0.109,937 26,938 11,939 0.063,940 4,941 2,942 1.154,943 4.304,944 287.153,945 0.154,946 26,947 147.58,951 20.081,952 8.355,953 3.926,954 2.313,955 51.303,956 17.01,957 4.687,961 5.852,964 530.005,965 45.5,970 11.942,972 3.645,974 0.041,975 58.338,976 66.185,977 0.237,978 0.574,979 0.773,980 0.892,981 0.903,982 0.903,983 5.095,984 1.608,985 6.004,986 5.527,987 4.615,988 5.13,989 1.758,990 6.838,991 4.553,992 6.298,993 1.555,994 7.578,995 4.497,996 4.205,997 4.934,998 0.766,999 7.786,1000 4.098,1001 7.607,1002 1.418,1003 9.253,1004 4.036,1005 6.232,1006 7.336,1007 1.696,1008 10.907,1009 6.105,1010 8.952,1011 1.217,1012 10.988,1013 3.464,1014 6.648,1015 7.995,1016 0.931,1017 12.694,1018 6.48,1019 10.332,1020 1,1021 12.762,1022 2.762,1023 8.137,1024 9.871,1025 1.83,1026 15.338,1027 7.949,1028 11.735,1029 0.854,1030 14.563,1031 2.275,1032 8.938,1033 10.948,1034 1.142,1035 17.469,1036 8.717,1037 13.159,1038 0.628,1039 16.385,1040 2.03,1041 10.212,1042 12.602,1043 2.038,1044 19.951,1045 9.97,1046 3.17,1047 0.249,1048 18.221,1049 1.525,1050 11.196,1051 13.888,1052 1.436,1053 22.227,1054 10.926,1055 3.139,1056 10.929,1057 20.069,1058 0.555,1059 12.383,1060 15.444,1061 2.286,1062 24.649,1063 12.092,1064 2.658,1065 10.856,1066 21.926,1067 4.474,1068 13.452,1069 16.831,1070 1.783,1071 26.988,1072 13.135,1073 2.549,1074 8.12,1075 23.791,1076 4.12,1077 14.608,1078 18.343,1079 2.561,1080 29.389,1081 14.268,1082 2.356,1083 7.994,1084 25.663,1085 3.249,1086 15.716,1087 19.779,1088 2.156,1089 31.754,1090 15.352,1091 2.042,1092 6.882,1093 27.539,1094 3.115,1095 16.862,1096 21.273,1097 2.856,1098 34.146,1099 16.475,1100 1.876,1101 5.741,1102 29.42,1103 2.735,1104 17.989,1105 22.733,1106 2.541,1107 36.524,1108 17.578,1109 13685,1110 20584,1111 23.868,1112 39.614,1113 53.414,1114 53.934,1115 54.251,1116 52.717,1117 52.638,1118 67.477,1119 6.186,1120 154.388,1121 51.073,1122 5.551,1123 5.671,1124 6.273,1125 5.214,1126 5.17,1127 7.474,1128 2.293,1129 18.278,1130 5.098,1131 13.24,1132 1.526,1133 1.541,1134 1.55,1135 1.506,1136 1.504,1137 1.928,1138 0.177,1139 4.411,1140 1.459,1141 4.099,1142 4.133,1143 4.056,1144 4.019,1145 7.429,1146 4.024,1147 4.015,1148 4.042,1149 3.97,1150 3.945,1151 4.983,1152 3.947,1153 3.792,1154 3.863,1155 3.684,1156 3.603,1157 4.756,1158 3.613,1159 3.562,1160 3.609,1161 3.479,1162 3.426,1163 4.44,1164 3.428,1165 3.505,1166 3.554,1167 3.404,1168 3.39,1169 4.286,1170 3.39,1171 3.329,1172 3.395,1173 3.185,1174 3.193,1175 4.179,1176 3.181,1177 3.188,1178 3.281,1179 3.02,1180 2.986,1181 4,1182 2.981,1183 3.111,1184 3.206,1185 2.915,1186 2.941,1187 3.941,1188 2.922,1189 0.13,1190 0.105,1191 0.193,1192 0.118,1193 0.091,1194 4.551,1195 0.128,1196 3.671,1197 0.034,1198 6.743,1199 0.312,1200 4.147,1201 0.089,1202 3.17,1203 4.474,1204 1.2,1205 10.929,1206 3.098,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.363,1212 2.144,1213 1.989,1214 1.965,1215 2.084,1216 2.084,1217 1.266,1218 2.084,1219 1.749,1220 1.68,1221 1.947,1222 1.96,1223 1.171,1224 1.961,1225 1.536,1226 1.489,1227 1.742,1228 1.713,1229 0.934,1230 1.721,1231 1.496,1232 1.453,1233 1.704,1234 1.65,1235 0.825,1236 1.672,1237 1.339,1238 1.276,1239 1.587,1240 1.514,1241 0.805,1242 1.542,1243 1.191,1244 1.096,1245 1.532,1246 1.433,1247 0.678,1248 1.471,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.575,1254 1.429,1255 4.263,1257 5.602,1259 7.152,1261 8.798,1263 10.493,1265 3.887,1271 6.186,1276 6.77,1280 37.122,1281 82.259,1282 199.188,1283 268.347,1284 309.566,1285 313.566,1286 313.566,1287 41.141,1288 8.395,1289 41.37,1290 41.37,1291 30,1292 12.772,1293 4.322,1294 3.524,1295 43.984,1296 148,1297 127,1298 0.145,1299 225.104,1300 390.25,1301 541.013,1302 62496,1304 21.372,1305 0.689,1306 0.588,1307 21.372,1308 18.213,1309 15.097,1310 0.431,1311 0.315,1312 10.894,1313 14.655,1314 10.569,1315 8.73,1316 15.097,1317 11.013,1318 13.728,1319 0.275,1320 0.169,1321 13.728,1322 8.456,1323 12.204,1324 0.177,1325 0.094,1326 12.204,1327 6.516,1328 10.182,1329 0.112,1330 0.052,1331 10.182,1332 4.695,1333 8.702,1334 0.073,1335 0.029,1336 8.702,1337 3.442,1338 0.235,1339 93.379,1340 0.205,1341 29.45,1342 0.382,1343 170,1344 406.316,1345 181.179,1346 401.808,1347 567.59,1348 380,1349 204,1350 431.552,1351 216.374,1352 441.138,1353 649.48,1354 417,1355 9} {0 CHEMBL129661,1 1.402,2 7.722,3 2.306,4 5.316,5 74.155,6 6.732,7 0.55,8 3.678,9 3.806,10 3.179,11 3.209,12 4.655,13 3.174,14 4.235,15 4.428,16 3.487,17 3.597,18 5.132,19 3.539,20 4.457,21 4.686,22 3.51,23 3.758,24 5.286,25 3.652,26 4.454,27 4.693,28 3.319,29 3.714,30 5.236,31 3.557,32 4.422,33 4.703,34 3.175,35 3.565,36 5.138,37 3.395,38 4.205,39 4.471,40 3.022,41 3.364,42 4.953,43 3.208,44 4.033,45 4.288,46 2.833,47 3.193,48 4.776,49 3.036,50 3.926,51 4.192,52 2.547,53 2.94,54 4.677,55 2.78,56 0.036,57 0.519,58 8.369,59 3.358,60 6.086,61 4.692,62 0.161,63 0.848,64 15.553,65 5.302,66 14.286,67 7.647,68 0.204,69 1.02,70 19.537,71 7.147,72 17.263,73 10.29,74 0.108,75 0.971,76 19.194,77 7.889,78 16.568,79 11.237,80 0.123,81 0.893,82 19.029,83 7.366,84 17.456,85 10.728,86 0.165,87 0.732,88 15.347,89 5.659,90 14.538,91 8.294,92 0.09,93 0.613,94 12.797,95 4.792,96 10.481,97 6.941,98 0.146,99 0.514,100 11.939,101 3.867,102 12.341,103 5.572,104 3,105 27,106 0.257,107 0.546,108 0.683,109 0.813,110 0.824,111 0.824,112 2.961,113 0.96,114 -3.39,115 -3.37,116 -3.23,119 41.7,124 1,125 4,140 6,141 2,142 2,169 7,172 4,178 10,182 4,184 1,189 8,193 4,199 3,203 2,208 2,214 1,215 2,220 2,231 2,242 1,252 1,254 1,259 308,260 12.593,261 12.593,262 12.593,263 12.593,264 12.593,265 11.379,266 16.228,267 7.546,268 12.959,269 9.836,270 9.836,271 9.836,272 9.836,273 9.836,274 7.921,275 22.972,276 3.532,277 10.316,278 3.768,279 2.196,280 1.452,281 0.743,282 0.688,283 0.688,284 3.646,287 1,288 1,289 1,290 302,291 1.871,295 130.785,299 68.448,302 1.198,303 7.897,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38,315 139,316 4.457,317 3.163,318 6.303,319 3.998,320 3.018,321 4.381,322 0.86,323 9.635,324 2.966,325 3.934,326 2.933,327 6.01,328 3.648,329 2.702,330 3.313,331 0.8,332 8.627,333 2.55,334 3.577,335 2.548,336 5.225,337 3.184,338 2.244,339 2.923,340 0.4,341 6.518,342 2.1,343 3.095,344 2.009,345 4.533,346 2.768,347 1.809,348 2.362,350 4.681,351 1.733,352 2.956,353 1.593,354 4.336,355 2.565,356 1.571,357 2.027,359 4.163,360 1.559,361 2.36,362 1.429,363 3.513,364 2.107,365 1.173,366 1.332,368 2.711,369 1.092,370 2.144,371 1.146,372 3.288,373 1.967,374 1,375 1.051,377 2.136,378 0.965,379 2,380 1.104,381 3.247,382 1.752,383 0.785,384 1,386 1.802,387 0.755,388 1.624,389 0.697,390 2.82,391 1.312,392 0.427,393 0.498,395 0.677,396 0.375,397 1.029,398 -0.189,399 2.567,400 0.631,401 -0.343,402 -0.429,404 -0.81,405 -0.332,406 0.904,407 -0.314,408 2.264,409 0.456,410 -0.51,411 -0.689,413 -1.238,414 -0.487,415 0.437,416 -0.6,417 2.134,418 0.159,419 -0.819,420 -0.967,422 -1.941,423 -0.8,424 0.284,425 -0.746,426 1.786,427 -0.087,428 -1,429 -1,431 -2.347,432 -0.9,434 -0.943,435 1.555,436 -0.1,437 -1.077,438 -1.531,440 -3.28,441 -1.056,442 -0.031,443 -1.129,444 1.25,445 -0.416,446 -1.356,447 -1.657,449 -3.637,450 -1.248,451 8.633,452 0.48,453 0.307,454 0.017,455 22.75,456 1.264,457 11,458 0.611,459 11.75,460 0.653,461 12.313,462 0.684,463 19.567,464 0.544,465 13.784,466 0.766,467 4.618,468 0.257,469 4.247,470 0.236,471 0.058,473 0.278,479 0.959,480 1.373,481 0.875,482 1.14,483 0.891,484 1.016,485 1.543,486 0.996,487 1.033,488 0.851,489 1.126,490 0.872,491 1.09,492 0.849,493 1.047,494 0.904,495 0.918,496 0.952,497 0.646,498 1.15,499 1.064,500 1.222,501 0.879,502 1.197,503 0.608,504 1.005,505 0.855,506 1.01,507 0.754,508 0.971,509 0.729,510 1.02,511 0.969,512 1.037,513 0.872,514 1.031,515 0.905,516 1.175,517 1.054,518 1.183,519 1.031,520 1.144,521 1.832,522 1.029,523 1.248,524 1.053,525 1.708,526 1.09,527 3,528 0.012,529 1.778,530 0.688,531 0.818,532 0.479,533 0.243,534 0.142,535 0.053,536 0.026,537 2832,538 6051,539 2.154,540 50,542 17,545 1,550 1.587,551 2.077,552 2.993,553 -0.334,555 1,557 1,559 50.455,560 1.402,561 2.973,562 3.718,563 4.427,564 4.482,565 4.482,566 2.461,567 2.975,568 4.142,569 3.047,570 466.258,571 7.029,572 4309.07,573 1,574 1,576 1,577 186.117,578 1.135,579 4.128,580 0.15,581 0.012,582 0.066,583 0.025,584 0.039,585 0.027,586 0.016,587 0.012,588 0.007,589 0.006,590 0.36,591 1,592 1,593 0.695,594 75.634,595 0.007,596 -0.182,597 0.077,598 -0.07,599 0.031,600 -0.001,601 -0.217,602 0.133,603 -0.031,604 0.125,605 -0.049,606 0.079,607 -0.108,608 0.215,609 -0.077,610 0.077,611 -0.018,612 0.018,613 -0.012,614 -0.179,615 -0.138,616 -0.197,617 -0.076,618 -0.184,619 0.068,620 -0.097,621 0.091,622 -0.024,623 0.074,624 0.026,625 0.129,626 -0.066,627 -0.006,628 -0.067,629 0.031,630 -0.055,631 -0.013,632 -0.226,633 -0.094,634 -0.205,635 -0.094,636 -0.165,637 -0.231,638 -0.11,639 -0.219,640 -0.138,641 -0.324,642 -0.172,643 0.75,644 1.784,645 0.889,646 11.235,647 0.989,648 1.126,649 2.16,650 4.668,651 0.654,652 3.045,653 3.332,654 3.611,655 3.85,656 4.127,657 4.143,658 4.248,659 4.304,660 4.382,661 4.22,662 4.588,663 0.61,664 242.35,665 3.045,666 4.554,667 5.398,668 6.26,669 7.122,670 7.991,671 8.86,672 9.733,673 10.605,674 11.479,675 5.6,677 1,681 1,687 2,688 6,693 2,695 11,709 1,712 1,714 36,716 11,717 2,718 20,720 38,721 15,722 10,723 4,724 6,730 3,731 4,745 10,746 5,761 1,764 18,765 3,766 1,767 3,773 2,777 0.667,778 1,793 3,797 1,814 1,819 2,823 1,827 18,833 4,834 1,835 1,838 1,847 2.8,852 1,854 8.667,855 6.617,856 4.056,857 2.16,858 2.334,859 1.356,860 1.002,861 3.281,862 8.892,863 3.277,864 3.861,865 4.474,866 5.076,867 5.712,868 6.029,869 6.402,870 6.755,871 7.088,872 6.816,873 1,874 27,875 6.646,877 2.743,878 7.426,879 13.188,881 10.842,883 1.926,884 34.667,885 0.003,888 200.109,889 89.309,890 21.135,892 11,895 89.309,896 211.109,897 21.135,898 10.883,899 8.423,900 74.868,902 27.27,904 200.109,906 200.109,907 110.445,908 11,911 200.109,912 11,915 26.434,916 84.011,919 200.109,920 32.135,921 89.309,924 200.109,925 21.569,926 70.865,927 18.011,928 11,929 200.109,930 32.135,931 89.309,933 0.568,934 0.338,935 0.183,936 0.105,937 14,938 5,939 0.053,940 2,941 1,942 1.125,943 3.116,944 130.207,945 0.125,946 16,947 71.059,951 11.662,952 5.064,953 2.416,954 2.5,955 32.135,956 12.86,961 2.22,963 18.011,964 321.553,965 25.5,975 35.6,976 40.528,977 0.271,978 0.575,979 0.719,980 0.856,981 0.867,982 0.867,983 4.486,984 0.785,985 5.352,986 2.136,987 4.007,988 4.543,989 1.324,990 6.125,991 3.927,992 5.66,993 0.427,994 6.88,995 1.802,996 3.434,997 4.311,998 0.325,999 6.934,1000 3.317,1001 6.952,1002 -0.343,1003 8.509,1004 0.677,1005 5.557,1006 6.769,1007 0.958,1008 10.014,1009 5.411,1010 8.284,1011 -0.51,1012 10.197,1013 -0.81,1014 5.832,1015 7.409,1016 0.268,1017 11.651,1018 5.651,1019 9.652,1020 -0.819,1021 11.924,1022 -1.238,1023 7.38,1024 9.323,1025 0.736,1026 14.214,1027 7.182,1028 11.043,1029 -1,1030 13.676,1031 -1.941,1032 8.064,1033 10.381,1034 0.188,1035 16.189,1036 7.84,1037 12.453,1038 -1.077,1039 15.446,1040 -2.347,1041 9.356,1042 12.058,1043 0.57,1044 18.562,1045 9.117,1046 3.018,1047 -1.356,1048 17.229,1049 -3.28,1050 10.245,1051 13.329,1052 0.125,1053 20.685,1054 9.986,1055 2.702,1056 9.635,1057 19.021,1058 -3.637,1059 11.42,1060 14.896,1061 0.439,1062 22.982,1063 11.148,1064 2.244,1065 8.627,1066 20.82,1067 4.381,1068 12.412,1069 16.273,1070 0.082,1071 25.172,1072 12.123,1073 1.809,1074 6.518,1075 22.624,1076 3.313,1077 13.536,1078 17.791,1079 0.334,1080 27.439,1081 13.235,1082 1.571,1083 4.681,1084 24.433,1085 2.923,1086 14.577,1087 19.22,1088 0.054,1089 29.661,1090 14.262,1091 1.173,1092 4.163,1093 26.245,1094 2.362,1095 15.681,1096 20.714,1097 0.252,1098 31.917,1099 15.353,1100 1,1101 2.711,1102 28.06,1103 2.027,1104 16.748,1105 22.168,1106 0.035,1107 34.154,1108 16.407,1109 2750,1110 4086,1111 13.811,1112 23.557,1113 29.346,1114 29.897,1115 29.95,1116 29.414,1117 29.459,1118 37.773,1119 4.12,1120 81.899,1121 28.19,1122 5.457,1123 5.163,1124 6.105,1125 5.066,1126 5.018,1127 7.381,1128 1.72,1129 16.089,1130 4.966,1131 5.217,1132 1.467,1133 1.495,1134 1.497,1135 1.471,1136 1.473,1137 1.889,1138 0.206,1139 4.095,1140 1.41,1141 4.095,1142 4.118,1143 4.05,1144 4.044,1145 4.949,1146 4.042,1147 3.781,1148 3.853,1149 3.669,1150 3.592,1151 4.606,1152 3.602,1153 3.484,1154 3.521,1155 3.386,1156 3.344,1157 4.378,1158 3.346,1159 3.184,1160 3.259,1161 3.02,1162 2.981,1163 4.084,1164 2.978,1165 3.111,1166 3.206,1167 2.867,1168 2.941,1169 3.826,1170 2.91,1171 3.023,1172 3.086,1173 2.866,1174 2.874,1175 3.587,1176 2.863,1177 2.864,1178 2.97,1179 2.697,1180 2.613,1181 3.474,1182 2.621,1183 2.537,1184 2.601,1185 2.37,1186 2.389,1187 3.254,1188 2.375,1189 0.223,1190 0.158,1191 0.315,1192 0.2,1193 0.151,1194 4.457,1195 0.219,1196 3.163,1197 0.043,1198 6.303,1199 0.482,1200 3.998,1201 0.148,1202 3.018,1203 4.381,1204 0.86,1205 9.635,1206 2.966,1207 2.071,1208 2.053,1209 2.15,1210 2.142,1211 1.324,1212 2.146,1213 1.736,1214 1.667,1215 1.947,1216 1.956,1217 1.204,1218 1.959,1219 1.448,1220 1.41,1221 1.644,1222 1.639,1223 0.825,1224 1.639,1225 1.16,1226 1.086,1227 1.513,1228 1.424,1229 0.699,1230 1.454,1231 1.153,1232 1.064,1233 1.507,1234 1.376,1235 0.555,1236 1.429,1237 1.044,1238 0.985,1239 1.278,1240 1.203,1241 0.367,1242 1.231,1243 0.814,1244 0.715,1245 1.149,1246 1.121,1247 0.303,1248 1.141,1249 0.551,1250 0.486,1251 0.876,1252 0.748,1254 0.794,1255 3.714,1257 5.004,1259 6.518,1261 8.126,1263 9.781,1265 1.71,1271 4.289,1272 3.378,1273 5.284,1276 2.426,1280 21.972,1281 50.455,1282 107.044,1283 133.853,1284 159.362,1285 161.362,1286 161.362,1287 17.199,1288 6.558,1289 24.5,1290 24.5,1291 18,1292 12.019,1293 3.585,1294 2.7,1295 25.723,1296 51,1297 46,1298 0.265,1299 135.423,1300 226.77,1301 322.193,1302 5261,1304 12.372,1305 0.687,1306 0.592,1307 12.372,1308 10.648,1309 8.865,1310 0.443,1311 0.32,1312 6.308,1313 8.529,1314 6.143,1315 5.092,1316 8.865,1317 6.402,1318 7.579,1319 0.281,1320 0.172,1321 7.579,1322 4.634,1323 6.656,1324 0.185,1325 0.098,1326 6.656,1327 3.513,1328 5.432,1329 0.118,1330 0.053,1331 5.432,1332 2.459,1333 4.637,1334 0.076,1335 0.029,1336 4.637,1337 1.763,1338 0.402,1339 55.377,1340 0.269,1341 17.93,1342 0.762,1343 94,1344 229.714,1345 100.681,1346 222.281,1347 312.6,1348 212,1349 110,1350 232.489,1351 116.876,1352 238.361,1353 346.65,1354 224,1355 9.155} {0 CHEMBL129813,1 1.504,2 15.568,3 3.736,4 13.956,5 144.807,6 7.08,7 0.405,8 4.372,9 4.489,10 3.916,11 3.863,12 5.359,13 3.851,14 4.971,15 5.156,16 4.277,17 4.273,18 5.905,19 4.248,20 5.232,21 5.437,22 4.376,23 4.48,24 6.172,25 4.41,26 5.286,27 5.503,28 4.285,29 4.51,30 6.156,31 4.399,32 5.352,33 5.601,34 4.241,35 4.464,36 6.206,37 4.349,38 5.247,39 5.482,40 4.136,41 4.37,42 6.101,43 4.258,44 5.142,45 5.382,46 4.027,47 4.277,48 5.995,49 4.155,50 5.083,51 5.342,52 3.967,53 4.167,54 6,55 4.043,56 0.003,57 1.044,58 15.906,59 6.593,60 7.263,61 8.874,62 0.392,63 1.743,64 32.122,65 10.321,66 27.783,67 14.528,68 0.814,69 2.141,70 42.746,71 14.62,72 55.014,73 20.332,74 0.343,75 2.197,76 44.471,77 17.121,78 43.216,79 23.78,80 0.632,81 2.214,82 49.871,83 17.15,84 63.678,85 24.313,86 0.625,87 2.007,88 44.645,89 15.202,90 52.574,91 21.316,92 0.425,93 1.831,94 39.765,95 14.016,96 42.27,97 19.882,98 0.539,99 1.683,100 38.173,101 13.185,102 56.295,103 19.003,104 5,105 59,106 0.234,107 0.481,108 0.654,109 0.774,110 0.838,111 0.847,112 3.642,113 0.94,114 -3.21,115 -3.2,116 -3.07,119 40.8,124 1,125 11,140 9,141 2,142 5,156 1,169 9,171 1,172 6,178 10,181 6,182 9,189 8,192 1,193 6,199 3,202 2,203 10,211 1,214 2,215 9,225 1,226 6,236 4,237 9,248 2,249 6,259 2570,260 25.654,261 25.654,262 25.654,263 25.654,264 25.654,265 23.562,266 35.355,267 15.098,268 26.454,269 20.745,270 20.745,271 20.745,272 20.745,273 20.745,274 17.418,275 49.118,276 7.153,277 22.013,278 4.646,279 3.062,280 1.955,281 1.18,282 0.771,283 0.715,284 4.364,289 1,290 1300,291 3.24,295 653.825,299 359.11,302 2.359,303 29.947,306 0.75,307 0.67,308 0.83,309 0.9,310 0.5,311 0.83,312 1,313 0.78,314 80,315 576,316 4.558,317 3.742,318 6.702,319 4.122,320 3.146,321 4.479,322 2.055,323 10.889,324 3.076,325 4.431,326 3.417,327 6.69,328 4.07,329 3.128,330 4.059,331 0.933,332 10.831,333 2.94,334 3.966,335 3.287,336 6.032,337 3.749,338 2.798,339 3.218,340 0.86,341 8.597,342 2.654,343 3.825,344 2.909,345 5.797,346 3.561,347 2.62,348 3.098,349 0.86,350 7.962,351 2.459,352 3.622,353 2.875,354 5.738,355 3.361,356 2.436,357 2.92,358 0.8,359 7.696,360 2.244,361 3.57,362 2.676,363 5.256,364 3.245,365 2.315,366 2.811,367 0.8,368 6.657,369 2.149,370 3.339,371 2.423,372 5.045,373 3.085,374 2.145,375 2.416,376 0.8,377 6.04,378 2.013,379 2.958,380 2.307,381 4.672,382 2.671,383 1.713,384 2.124,385 0.51,386 4.767,387 1.632,388 2.942,389 2.114,390 4.581,391 2.551,392 1.618,393 2.117,395 4.485,396 1.502,397 2.913,398 1.888,399 4.207,400 2.514,401 1.548,402 1.976,404 3.829,405 1.491,406 2.78,407 1.665,408 4,409 2.407,410 1.429,411 1.834,413 3.476,414 1.395,415 2.476,416 1.531,417 3.971,418 2.262,419 1.329,420 1.449,422 3.307,423 1.225,424 2.434,425 1.426,426 3.582,427 2.202,428 1.246,429 1.428,431 2.786,432 1.18,433 2.243,434 1.333,435 3.414,436 1.967,437 1,438 1.145,440 2.275,441 0.965,442 2,443 1.146,444 3.414,445 1.967,446 1,447 1,449 2.275,450 0.965,451 17.433,452 0.471,453 0.777,454 0.021,455 45.75,456 1.236,457 20,458 0.541,459 25.75,460 0.696,461 34.739,462 0.939,463 40.767,464 0.574,465 36.426,466 0.984,467 9.144,468 0.247,469 9.009,470 0.243,471 0.048,473 0.321,479 0.836,480 1.559,481 0.797,482 1.254,483 0.604,484 1.053,485 1.321,486 1.047,487 0.988,488 0.877,489 0.765,490 0.857,491 1.057,492 0.871,493 1.046,494 0.913,495 0.933,496 0.958,497 0.856,498 1.207,499 1.039,500 1.228,501 1.131,502 1.18,503 1.051,504 0.959,505 0.975,506 0.965,507 1.146,508 0.964,509 1.206,510 1,511 1.101,512 1.017,513 1.11,514 1.044,515 0.996,516 1.103,517 1.047,518 1.102,519 1.036,520 1.09,521 0.76,522 0.985,523 0.885,524 1.012,525 1.047,526 0.979,527 6,528 0.136,529 4.667,530 2.063,531 1.867,532 1.063,533 0.762,534 0.521,535 0.44,536 0.299,537 25566,538 57137,539 2.197,540 47.9,542 34,550 1.776,551 2.114,552 3.882,553 -0.778,559 106.777,560 1.504,561 3.087,562 4.195,563 4.97,564 5.379,565 5.435,566 3.352,567 4.831,568 5.184,569 4.083,570 2719.53,571 9.088,572 46312.6,577 436.632,578 1.181,579 5.165,580 0.143,581 0.004,582 0.079,583 0.033,584 0.033,585 0.02,586 0.016,587 0.012,588 0.011,589 0.008,590 0.36,591 0.5,592 0.75,593 0.368,594 207.244,595 0.001,596 -0.335,597 0.098,598 -0.153,599 0.009,600 -0.036,601 -0.151,602 0.11,603 -0.002,604 0.096,605 -0.018,606 0.083,607 0.06,608 0.208,609 -0.06,610 0.073,611 0.05,612 0.005,613 -0.011,614 -0.205,615 -0.091,616 -0.189,617 -0.073,618 -0.162,619 -0.026,620 -0.009,621 0.021,622 0.017,623 -0.043,624 0.024,625 -0.088,626 -0.03,627 -0.101,628 -0.035,629 -0.089,630 -0.067,631 -0.044,632 -0.132,633 -0.067,634 -0.107,635 -0.032,636 -0.096,637 0.172,638 -0.043,639 0.105,640 -0.034,641 0.189,642 0.014,643 1.651,644 5.981,645 0.865,646 44.904,647 1,648 1.128,649 1.977,650 3.908,651 0.652,652 3.761,653 4.094,654 4.407,655 4.682,656 4.97,657 5.024,658 5.182,659 5.308,660 5.425,661 5.438,662 9.016,663 0.618,664 502.67,665 3.761,666 5.313,667 6.18,668 7.062,669 7.943,670 8.829,671 9.714,672 10.602,673 11.49,674 12.379,675 5.6,678 1,681 2,682 1,687 2,688 9,693 5,695 17,709 2,712 3,714 71,716 18,717 3,718 42,720 76,721 29,722 16,723 7,724 9,730 6,731 8,745 17,746 12,750 1,755 1,759 1,764 34,765 8,767 8,773 4,777 0.667,778 4,793 6,797 2,806 1,815 1,819 4,823 1,827 37,833 11,835 3,838 4,847 5.6,850 1,852 3,854 17.5,855 12.967,856 8.028,857 4.414,858 3.459,859 1.384,860 1.005,861 7.312,862 12.461,863 3.961,864 4.522,865 5.098,866 5.657,867 6.223,868 6.468,869 6.84,870 7.181,871 7.51,872 7.501,873 1,874 63,875 13.777,877 5.914,878 7.536,879 27.059,881 22.854,883 2.036,884 75.333,888 400.217,889 155.4,890 12.497,892 58.145,895 155.4,896 458.362,897 12.497,898 8.396,899 33.747,900 85.286,901 29.85,902 68.762,904 400.217,906 400.217,907 167.897,908 58.145,911 400.217,912 58.145,915 36.871,916 131.026,919 400.217,920 70.642,921 155.4,924 400.217,925 61.717,926 106.18,928 58.145,929 400.217,930 70.642,931 155.4,933 0.583,934 0.348,935 0.191,936 0.109,937 30,938 12,939 0.066,940 5,941 2,942 1.125,943 4.886,944 365.129,945 0.125,946 32,947 184.75,951 24.649,952 10.976,953 5.33,954 2.353,955 70.642,956 18.543,961 4.601,964 626.259,965 51.5,970 12.981,974 0.016,975 70.97,976 80.059,977 0.245,978 0.502,979 0.682,980 0.808,981 0.875,982 0.884,983 5.222,984 1.713,985 6.155,986 6.04,987 4.779,988 5.209,989 2.783,990 6.971,991 4.669,992 6.393,993 1.618,994 7.713,995 4.767,996 4.29,997 4.977,998 1.865,999 7.881,1000 4.13,1001 7.688,1002 1.548,1003 9.372,1004 4.485,1005 6.375,1006 7.358,1007 3.433,1008 10.997,1009 6.165,1010 9.019,1011 1.429,1012 11.094,1013 3.829,1014 6.735,1015 8.008,1016 3.319,1017 12.767,1018 6.48,1019 10.387,1020 1.329,1021 12.856,1022 3.476,1023 8.255,1024 9.866,1025 4.581,1026 15.393,1027 7.957,1028 11.781,1029 1.246,1030 14.647,1031 3.307,1032 9.014,1033 10.939,1034 4.857,1035 17.513,1036 8.679,1037 13.195,1038 1,1039 16.458,1040 2.786,1041 10.299,1042 12.583,1043 5.905,1044 19.976,1045 9.925,1046 3.146,1047 1,1048 18.284,1049 2.275,1050 11.252,1051 13.865,1052 6.371,1053 22.244,1054 10.843,1055 3.128,1056 10.889,1057 20.123,1058 2.275,1059 12.439,1060 15.415,1061 7.288,1062 24.652,1063 11.994,1064 2.798,1065 10.831,1066 21.971,1067 4.479,1068 13.485,1069 16.8,1070 7.856,1071 26.984,1072 13.006,1073 2.62,1074 8.597,1075 23.826,1076 4.059,1077 14.634,1078 18.311,1079 8.696,1080 29.373,1081 14.121,1082 2.436,1083 7.962,1084 25.688,1085 3.218,1086 15.725,1087 19.746,1088 9.324,1089 31.734,1090 15.179,1091 2.315,1092 7.696,1093 27.556,1094 3.098,1095 16.86,1096 21.241,1097 10.117,1098 34.118,1099 16.282,1100 2.145,1101 6.657,1102 29.428,1103 2.92,1104 17.973,1105 22.701,1106 10.781,1107 36.491,1108 17.362,1109 23077,1110 34707,1111 29.126,1112 46.262,1113 63.321,1114 64.551,1115 64.511,1116 63.069,1117 63.064,1118 76.975,1119 15.237,1120 181.642,1121 59.598,1122 5.558,1123 5.742,1124 6.391,1125 5.263,1126 5.146,1127 7.479,1128 3.661,1129 18.043,1130 5.076,1131 11.943,1132 1.508,1133 1.537,1134 1.536,1135 1.502,1136 1.502,1137 1.833,1138 0.363,1139 4.325,1140 1.419,1141 4.109,1142 4.134,1143 4.065,1144 4.051,1145 7.427,1146 4.051,1147 3.985,1148 4.015,1149 3.934,1150 3.864,1151 4.96,1152 3.877,1153 3.795,1154 3.864,1155 3.702,1156 3.598,1157 4.923,1158 3.609,1159 3.777,1160 3.824,1161 3.67,1162 3.581,1163 4.555,1164 3.597,1165 3.531,1166 3.564,1167 3.438,1168 3.384,1169 4.394,1170 3.387,1171 3.443,1172 3.493,1173 3.317,1174 3.248,1175 4.354,1176 3.256,1177 3.348,1178 3.395,1179 3.235,1180 3.158,1181 4.262,1182 3.174,1183 3.203,1184 3.294,1185 3.058,1186 3.005,1187 4.158,1188 3.006,1189 0.109,1190 0.089,1191 0.16,1192 0.098,1193 0.075,1194 4.558,1195 0.107,1196 3.742,1197 0.049,1198 6.702,1199 0.259,1200 4.122,1201 0.073,1202 3.146,1203 4.479,1204 2.055,1205 10.889,1206 3.076,1207 2.074,1208 2.056,1209 2.15,1210 2.149,1211 1.349,1212 2.15,1213 1.917,1214 1.893,1215 2.03,1216 2.076,1217 1.3,1218 2.063,1219 1.747,1220 1.678,1221 1.959,1222 1.966,1223 1.216,1224 1.969,1225 1.714,1226 1.656,1227 1.896,1228 1.928,1229 1.08,1230 1.918,1231 1.485,1232 1.451,1233 1.683,1234 1.685,1235 0.91,1236 1.676,1237 1.412,1238 1.359,1239 1.653,1240 1.622,1241 0.825,1242 1.638,1243 1.298,1244 1.255,1245 1.544,1246 1.516,1247 0.825,1248 1.525,1249 1.184,1250 1.096,1251 1.513,1252 1.441,1253 0.761,1254 1.47,1255 4.443,1257 5.771,1259 7.31,1261 8.94,1263 10.617,1265 2.168,1271 8.107,1273 17.61,1276 8.955,1280 43.847,1281 106.777,1282 219.212,1283 297.838,1284 352.858,1285 381.877,1286 385.877,1287 55.054,1288 9.002,1289 57.72,1290 57.72,1291 36,1292 12.909,1293 4.248,1294 3.392,1295 51.416,1296 206,1297 184,1298 0.12,1299 261.404,1300 458.8,1301 629.585,1302 139156,1304 25.192,1305 0.681,1306 0.578,1307 25.192,1308 21.396,1309 18.153,1310 0.432,1311 0.313,1312 12.923,1313 17.288,1314 12.67,1315 10.347,1316 18.153,1317 13.16,1318 16.25,1319 0.275,1320 0.168,1321 16.25,1322 9.908,1323 14.372,1324 0.177,1325 0.093,1326 14.372,1327 7.555,1328 12.083,1329 0.113,1330 0.05,1331 12.083,1332 5.389,1333 10.514,1334 0.074,1335 0.028,1336 10.514,1337 3.988,1338 0.195,1339 114.642,1340 0.185,1341 34.295,1342 0.31,1343 202,1344 559.523,1345 223.836,1346 523.324,1347 728.03,1348 498,1349 241,1350 540.211,1351 265.666,1352 539.594,1353 800.65,1354 510,1355 9.347} {0 CHEMBL133455,1 1.405,2 6.294,3 2.443,4 5.966,5 69.164,6 6.581,7 0.526,8 3.652,9 3.786,10 3.123,11 3.187,12 4.622,13 3.146,14 4.219,15 4.402,16 3.486,17 3.614,18 5.113,19 3.545,20 4.476,21 4.708,22 3.488,23 3.737,24 5.318,25 3.627,26 4.486,27 4.738,28 3.414,29 3.706,30 5.262,31 3.576,32 4.367,33 4.594,34 3.283,35 3.59,36 5.23,37 3.446,38 4.395,39 4.687,40 2.909,41 3.408,42 5.12,43 3.215,44 4.141,45 4.445,46 2.531,47 3.093,48 4.926,49 2.863,50 3.928,51 4.284,52 1.714,53 2.644,54 4.534,55 2.334,56 0.048,57 0.507,58 8.414,59 3.347,60 6.88,61 4.711,62 0.104,63 0.823,64 15.238,65 5.932,66 12.354,67 8.364,68 0.174,69 0.995,70 20.084,71 7.372,72 20.561,73 10.644,74 0.161,75 0.981,76 20.24,77 7.554,78 17.858,79 10.992,80 0.181,81 0.908,82 17.882,83 6.612,84 18.648,85 9.712,86 0.209,87 0.832,88 18.942,89 6.104,90 20.002,91 9.311,92 0.183,93 0.621,94 14.614,95 4.839,96 21.457,97 7.407,98 0.171,99 0.428,100 12.113,101 3.709,102 16.592,103 5.664,104 7,105 27,106 0.26,107 0.641,108 0.841,109 0.873,110 0.873,111 0.873,112 2.911,113 0.988,114 -2.95,115 -2.96,116 -2.85,119 40,120 1,121 3,125 1,127 1,140 2,141 3,142 1,149 1,150 1,161 1,162 1,163 1,169 6,172 3,176 5,178 7,180 2,182 3,186 4,189 8,191 1,193 1,197 2,199 7,201 1,203 1,206 1,207 1,208 3,210 1,211 4,213 1,220 2,222 2,224 2,226 1,228 1,229 1,231 2,233 2,235 2,259 295,260 11.569,261 11.569,262 11.569,263 11.569,264 11.569,265 10.419,266 12.513,267 6.853,268 11.781,269 9.409,270 9.409,271 9.409,272 9.409,273 9.409,274 7.572,275 11.974,276 3.254,277 9.748,278 3.725,279 1.672,280 0.593,281 0.422,282 0.422,283 0.422,284 3.588,288 1,289 1,290 230,291 2.55,294 25.108,295 57.902,298 43.604,299 49.31,302 0.934,303 10.52,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 36,315 107,316 4.681,317 3.402,318 6.913,319 4.238,320 3.253,321 4.639,322 0.86,323 11.637,324 3.205,325 3.883,326 2.875,327 5.887,328 3.533,329 2.572,330 3.338,332 8.161,333 2.471,334 3.457,335 2.379,336 5.206,337 3.18,338 2.212,339 2.788,341 6.294,342 2.136,343 3.099,344 2.034,345 4.724,346 2.814,347 1.836,348 2.199,350 4.966,351 1.793,352 2.801,353 1.846,354 4.351,355 2.489,356 1.522,357 1.872,359 4.116,360 1.469,361 2.55,362 1.632,363 3.739,364 2.393,365 1.443,366 1.554,368 3.091,369 1.36,370 2.202,371 0.997,372 3.562,373 1.768,374 0.833,375 1.108,377 2.101,378 0.775,379 1.938,380 0.842,381 3.212,382 1.661,383 0.711,384 0.852,386 1.66,387 0.67,388 1.015,389 0.044,390 2.582,391 0.776,392 -0.2,393 -0.231,395 -0.532,396 -0.194,397 0.795,398 -0.197,399 2.368,400 0.45,401 -0.506,402 -0.605,404 -1.272,405 -0.478,406 0.481,407 -0.545,408 2.153,409 0.208,410 -0.753,411 -0.856,413 -1.928,414 -0.718,415 0.174,416 -0.807,417 2,418 -0.05,419 -1,420 -1,422 -2,423 -0.948,425 -1.012,426 2,427 -0.1,428 -1.075,429 -1.363,431 -2.84,432 -1.05,433 -0.077,434 -1.2,435 1.263,436 -0.452,437 -1.401,438 -1.678,440 -3.922,441 -1.306,442 -0.249,443 -1.462,444 1.199,445 -0.626,446 -1.597,447 -2.076,449 -4.697,450 -1.538,451 8.133,452 0.478,453 0.418,454 0.025,455 19.25,456 1.132,457 8.5,458 0.5,459 10.75,460 0.632,461 14.147,462 0.832,463 18.867,464 0.539,465 10.772,466 0.634,467 3.496,468 0.206,469 4.758,470 0.28,471 0.111,473 0.369,479 1.037,480 1.15,481 0.929,482 1.044,483 1.214,484 0.975,485 1.107,486 1.118,487 0.92,488 1.034,489 0.86,490 0.971,491 1.149,492 0.989,493 1.008,494 0.988,495 1.175,496 0.983,497 0.929,498 0.996,499 0.922,500 0.969,501 0.745,502 0.952,503 0.696,504 1.327,505 1.179,506 1.368,507 0.861,508 1.332,509 1.258,510 1.001,511 1.155,512 1.002,513 1.098,514 1.054,515 0.839,516 1.048,517 1.1,518 1.112,519 1.059,520 1.128,521 1.47,522 0.645,523 0.997,524 0.693,525 1.441,526 0.79,527 3,529 1.778,530 1.222,531 0.907,532 0.501,533 0.249,534 0.122,535 0.041,537 2160,538 4432,539 2.127,540 51.4,541 2,542 5,543 1,545 3,547 7,550 1.576,551 2,552 2.696,553 1.136,555 1,556 1,557 1,559 49.163,560 1.405,561 3.457,562 4.536,563 4.708,564 4.708,565 4.708,566 2.145,567 3.852,568 4.059,569 2.773,570 377.17,571 6.896,572 3303.07,573 1,574 1,576 1,577 179.525,578 1.379,579 4.023,580 0.158,582 0.066,583 0.047,584 0.038,585 0.026,586 0.021,587 0.017,588 0.02,590 0.393,591 1,592 1,593 1.085,594 68.208,595 -0.073,596 0.087,597 0.047,598 0.069,599 -0.165,600 0.077,601 -0.052,602 -0.018,603 0.057,604 0.035,605 0.044,606 0.055,607 -0.103,608 0.037,609 -0.031,610 0.021,611 -0.131,612 0.007,613 -0.039,614 -0.017,615 0.039,616 0.035,617 0.004,618 0.043,619 0.138,620 -0.276,621 -0.225,622 -0.366,623 0.017,624 -0.343,625 -0.166,626 -0.068,627 -0.17,628 -0.091,629 -0.116,630 -0.125,631 0.095,632 -0.151,633 -0.134,634 -0.203,635 0.12,636 -0.195,637 -0.166,638 0.104,639 0.004,640 0.153,641 -0.175,642 0.101,643 1.144,644 2.216,645 0.765,646 9.003,647 0.989,648 1.129,649 1.722,650 2.966,651 0.644,652 2.996,653 3.332,654 3.638,655 3.989,656 4.22,657 4.29,658 4.394,659 4.431,660 4.382,661 4.205,662 3.951,663 0.599,664 230.34,665 2.996,666 4.533,667 5.398,668 6.301,669 7.194,670 8.105,671 9.008,672 9.922,673 10.83,674 11.744,675 5.7,676 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 35,716 10,717 1,718 19,720 37,721 14,722 8,723 4,724 2,730 3,731 6,736 1,740 2,743 4,745 8,746 6,761 1,764 18,765 2,766 3,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,812 1,819 1,823 1,827 17,828 1,833 4,835 1,837 1,847 2.9,852 1,854 8.5,855 6.333,856 3.694,857 2.243,858 2.143,859 1.324,860 1.011,861 2.747,862 8.748,863 3.219,864 3.855,865 4.52,866 5.202,867 5.72,868 6.081,869 6.456,870 6.777,871 6.756,872 6.738,873 1,874 26,875 6.298,877 2.678,878 7.48,879 12.5,881 10.681,883 1.98,884 33.667,885 0.005,888 176.567,889 65.353,890 49.683,892 11,895 65.353,896 187.566,897 49.683,898 8.825,899 45.093,900 28,902 41.973,903 13.915,904 164.795,906 176.567,907 115.035,908 11,911 94.169,912 93.398,915 70.704,916 44.332,919 176.567,920 60.683,921 65.353,924 176.567,925 28.528,926 36.825,927 16.786,928 43.897,929 176.567,930 60.683,931 65.353,933 0.58,934 0.332,935 0.202,936 0.116,937 15,938 6,939 0.054,940 2,941 2,942 1.308,943 2.914,944 125.748,945 0.308,946 13,947 69.487,951 10.964,952 4.26,953 1.906,954 2.532,955 43.897,956 6.26,958 3.333,961 3.72,963 49.683,964 302.602,965 24,975 34.6,976 39.528,977 0.274,978 0.674,979 0.884,980 0.918,981 0.918,982 0.918,983 4.46,984 0.711,985 5.389,986 2.101,987 4.007,988 4.538,989 0.908,990 6.24,991 3.945,992 5.669,993 -0.2,994 6.963,995 1.66,996 3.611,997 4.477,999 7.239,1000 3.544,1001 6.992,1002 -0.506,1003 8.644,1004 -0.532,1005 5.617,1006 6.84,1007 0.739,1008 10.397,1009 5.514,1010 8.359,1011 -0.753,1012 10.39,1013 -1.272,1014 6.066,1015 7.685,1017 12.288,1018 5.963,1019 9.768,1020 -1,1021 12.181,1022 -1.928,1023 7.554,1024 9.528,1025 0.593,1026 14.969,1027 7.425,1028 11.206,1029 -1.075,1030 14.004,1031 -2,1032 8.404,1033 10.772,1035 17.208,1036 8.273,1037 12.668,1038 -1.401,1039 15.851,1040 -2.84,1041 9.689,1042 12.421,1043 0.469,1044 19.736,1045 9.538,1046 3.253,1047 -1.597,1048 17.715,1049 -3.922,1050 10.724,1051 13.835,1053 22.109,1054 10.568,1055 2.572,1056 11.637,1057 19.592,1058 -4.697,1059 11.933,1060 15.411,1061 0.366,1062 24.586,1063 11.761,1064 2.212,1065 8.161,1066 21.481,1067 4.639,1068 13.048,1069 16.896,1071 27.009,1072 12.868,1073 1.836,1074 6.294,1075 23.378,1076 3.338,1077 14.231,1078 18.445,1079 0.283,1080 29.47,1081 14.038,1082 1.522,1083 4.966,1084 25.281,1085 2.788,1086 15.381,1087 19.958,1089 31.911,1090 15.177,1091 1.443,1092 4.116,1093 27.19,1094 2.199,1095 16.558,1096 21.498,1097 0.217,1098 34.368,1099 16.34,1100 0.833,1101 3.091,1102 29.104,1103 1.872,1104 17.723,1105 23.023,1107 36.817,1108 17.493,1109 2153,1110 3148,1111 12.83,1112 22.557,1113 29.01,1114 29.085,1115 29.713,1116 28.74,1117 28.763,1118 36.702,1119 1.72,1120 84.053,1121 27.759,1122 5.626,1123 5.402,1124 6.596,1125 5.321,1126 5.253,1127 7.639,1128 1.72,1129 18.915,1130 5.205,1131 6.838,1132 1.527,1133 1.531,1134 1.564,1135 1.513,1136 1.514,1137 1.932,1138 0.091,1139 4.424,1140 1.461,1141 4.155,1142 4.183,1143 4.116,1144 4.074,1145 5.035,1146 4.081,1147 3.699,1148 3.753,1149 3.584,1150 3.551,1151 4.953,1152 3.55,1153 3.575,1154 3.652,1155 3.421,1156 3.401,1157 4.593,1158 3.394,1159 3.273,1160 3.333,1161 3.137,1162 3.147,1163 4.024,1164 3.138,1165 2.959,1166 3.038,1167 2.802,1168 2.782,1169 3.804,1170 2.776,1171 2.854,1172 2.957,1173 2.638,1174 2.613,1175 3.744,1176 2.602,1177 2.72,1178 2.871,1179 2.406,1180 2.395,1181 3.519,1182 2.385,1183 2.559,1184 2.644,1185 2.311,1186 2.204,1187 3.205,1188 2.212,1189 0.246,1190 0.179,1191 0.364,1192 0.223,1193 0.171,1194 4.681,1195 0.244,1196 3.402,1197 0.045,1198 6.913,1199 0.612,1200 4.238,1201 0.169,1202 3.253,1203 4.639,1204 0.86,1205 11.637,1206 3.205,1207 1.988,1208 1.971,1209 2.083,1210 2.079,1211 1.363,1212 2.08,1213 1.699,1214 1.641,1215 1.919,1216 1.888,1217 1.169,1218 1.902,1219 1.546,1220 1.486,1221 1.767,1222 1.751,1223 0.974,1224 1.758,1225 1.358,1226 1.286,1227 1.596,1228 1.564,1229 0.689,1230 1.582,1231 1.017,1232 0.962,1233 1.281,1234 1.251,1235 0.492,1236 1.265,1237 0.881,1238 0.792,1239 1.269,1240 1.165,1241 0.344,1242 1.207,1243 0.717,1244 0.586,1245 1.127,1246 1.103,1247 0.155,1248 1.131,1249 0.523,1250 0.459,1251 0.92,1252 0.802,1253 0.002,1254 0.851,1255 3.664,1257 4.99,1258 2.398,1259 6.524,1260 4.727,1261 8.163,1262 6.843,1263 9.862,1265 2.046,1269 5.906,1271 3.966,1273 5.716,1275 0.189,1280 20.972,1281 49.163,1282 120.996,1283 158.77,1284 164.77,1285 164.77,1286 164.77,1287 19.591,1288 6.605,1289 51.04,1290 51.04,1291 17,1292 12.257,1293 3.459,1294 2.585,1295 23.529,1296 39,1297 39,1298 0.309,1299 128.758,1300 212.11,1301 305.93,1302 5418,1304 11.828,1305 0.696,1306 0.595,1307 11.828,1308 10.123,1309 8.254,1310 0.434,1311 0.329,1312 6.194,1313 8.013,1314 6.026,1315 4.995,1316 8.254,1317 6.257,1318 7.59,1319 0.281,1320 0.182,1321 7.59,1322 4.912,1323 6.142,1324 0.166,1325 0.091,1326 6.142,1327 3.364,1328 5.644,1329 0.106,1330 0.05,1331 5.644,1332 2.675,1333 4.66,1334 0.07,1335 0.028,1336 4.66,1337 1.895,1338 0.451,1339 51.175,1340 0.279,1341 16.575,1342 0.957,1343 92,1344 209.381,1345 98.291,1346 204.421,1347 290.81,1348 194,1349 110,1350 223.06,1351 116.319,1352 226.424,1353 336.05,1354 215,1355 5} {0 CHEMBL133868,1 1.405,2 6.294,3 2.443,4 5.966,5 69.164,6 6.581,7 0.526,8 3.652,9 3.786,10 3.123,11 3.187,12 4.622,13 3.146,14 4.219,15 4.402,16 3.486,17 3.614,18 5.113,19 3.545,20 4.476,21 4.708,22 3.488,23 3.737,24 5.318,25 3.627,26 4.486,27 4.738,28 3.414,29 3.706,30 5.262,31 3.576,32 4.367,33 4.594,34 3.283,35 3.59,36 5.23,37 3.446,38 4.395,39 4.687,40 2.909,41 3.408,42 5.12,43 3.215,44 4.141,45 4.445,46 2.531,47 3.093,48 4.926,49 2.863,50 3.928,51 4.284,52 1.714,53 2.644,54 4.534,55 2.334,56 0.048,57 0.507,58 8.414,59 3.347,60 6.88,61 4.711,62 0.104,63 0.823,64 15.238,65 5.932,66 12.354,67 8.364,68 0.174,69 0.995,70 20.084,71 7.372,72 20.561,73 10.644,74 0.161,75 0.981,76 20.24,77 7.554,78 17.858,79 10.992,80 0.181,81 0.908,82 17.882,83 6.612,84 18.648,85 9.712,86 0.209,87 0.832,88 18.942,89 6.104,90 20.002,91 9.311,92 0.183,93 0.621,94 14.614,95 4.839,96 21.457,97 7.407,98 0.171,99 0.428,100 12.113,101 3.709,102 16.592,103 5.664,104 7,105 27,106 0.26,107 0.641,108 0.841,109 0.873,110 0.873,111 0.873,112 2.911,113 0.988,114 -2.95,115 -2.96,116 -2.85,119 40,120 1,121 3,125 1,127 1,140 2,141 3,142 1,149 1,150 1,161 1,162 1,163 1,169 6,172 3,176 5,178 7,180 2,182 3,186 4,189 8,191 1,193 1,197 2,199 7,201 1,203 1,206 1,207 1,208 3,210 1,211 4,213 1,220 2,222 2,224 2,226 1,228 1,229 1,231 2,233 2,235 2,259 295,260 11.569,261 11.569,262 11.569,263 11.569,264 11.569,265 10.419,266 12.513,267 6.853,268 11.781,269 9.409,270 9.409,271 9.409,272 9.409,273 9.409,274 7.572,275 11.974,276 3.254,277 9.748,278 3.725,279 1.672,280 0.593,281 0.422,282 0.422,283 0.422,284 3.588,288 1,289 1,290 230,291 2.55,294 25.108,295 57.902,298 43.604,299 49.31,302 0.934,303 10.52,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 36,315 107,316 4.681,317 3.402,318 6.913,319 4.238,320 3.253,321 4.639,322 0.86,323 11.637,324 3.205,325 3.883,326 2.875,327 5.887,328 3.533,329 2.572,330 3.338,332 8.161,333 2.471,334 3.457,335 2.379,336 5.206,337 3.18,338 2.212,339 2.788,341 6.294,342 2.136,343 3.099,344 2.034,345 4.724,346 2.814,347 1.836,348 2.199,350 4.966,351 1.793,352 2.801,353 1.846,354 4.351,355 2.489,356 1.522,357 1.872,359 4.116,360 1.469,361 2.55,362 1.632,363 3.739,364 2.393,365 1.443,366 1.554,368 3.091,369 1.36,370 2.202,371 0.997,372 3.562,373 1.768,374 0.833,375 1.108,377 2.101,378 0.775,379 1.938,380 0.842,381 3.212,382 1.661,383 0.711,384 0.852,386 1.66,387 0.67,388 1.015,389 0.044,390 2.582,391 0.776,392 -0.2,393 -0.231,395 -0.532,396 -0.194,397 0.795,398 -0.197,399 2.368,400 0.45,401 -0.506,402 -0.605,404 -1.272,405 -0.478,406 0.481,407 -0.545,408 2.153,409 0.208,410 -0.753,411 -0.856,413 -1.928,414 -0.718,415 0.174,416 -0.807,417 2,418 -0.05,419 -1,420 -1,422 -2,423 -0.948,425 -1.012,426 2,427 -0.1,428 -1.075,429 -1.363,431 -2.84,432 -1.05,433 -0.077,434 -1.2,435 1.263,436 -0.452,437 -1.401,438 -1.678,440 -3.922,441 -1.306,442 -0.249,443 -1.462,444 1.199,445 -0.626,446 -1.597,447 -2.076,449 -4.697,450 -1.538,451 8.133,452 0.478,453 0.418,454 0.025,455 19.25,456 1.132,457 8.5,458 0.5,459 10.75,460 0.632,461 14.147,462 0.832,463 18.867,464 0.539,465 10.772,466 0.634,467 3.496,468 0.206,469 4.758,470 0.28,471 0.111,473 0.369,479 1.037,480 1.15,481 0.929,482 1.044,483 1.214,484 0.975,485 1.107,486 1.118,487 0.92,488 1.034,489 0.86,490 0.971,491 1.149,492 0.989,493 1.008,494 0.988,495 1.175,496 0.983,497 0.929,498 0.996,499 0.922,500 0.969,501 0.745,502 0.952,503 0.696,504 1.327,505 1.179,506 1.368,507 0.861,508 1.332,509 1.258,510 1.001,511 1.155,512 1.002,513 1.098,514 1.054,515 0.839,516 1.048,517 1.1,518 1.112,519 1.059,520 1.128,521 1.47,522 0.645,523 0.997,524 0.693,525 1.441,526 0.79,527 3,529 1.778,530 1.222,531 0.907,532 0.501,533 0.249,534 0.122,535 0.041,537 2160,538 4432,539 2.127,540 51.4,541 2,542 5,543 1,545 3,547 7,550 1.576,551 2,552 2.696,553 1.136,555 1,556 1,557 1,559 49.163,560 1.405,561 3.457,562 4.536,563 4.708,564 4.708,565 4.708,566 2.145,567 3.852,568 4.059,569 2.773,570 377.17,571 6.896,572 3303.07,573 1,574 1,576 1,577 179.525,578 1.379,579 4.023,580 0.158,582 0.066,583 0.047,584 0.038,585 0.026,586 0.021,587 0.017,588 0.02,590 0.393,591 1,592 1,593 1.085,594 68.208,595 -0.073,596 0.087,597 0.047,598 0.069,599 -0.165,600 0.077,601 -0.052,602 -0.018,603 0.057,604 0.035,605 0.044,606 0.055,607 -0.103,608 0.037,609 -0.031,610 0.021,611 -0.131,612 0.007,613 -0.039,614 -0.017,615 0.039,616 0.035,617 0.004,618 0.043,619 0.138,620 -0.276,621 -0.225,622 -0.366,623 0.017,624 -0.343,625 -0.166,626 -0.068,627 -0.17,628 -0.091,629 -0.116,630 -0.125,631 0.095,632 -0.151,633 -0.134,634 -0.203,635 0.12,636 -0.195,637 -0.166,638 0.104,639 0.004,640 0.153,641 -0.175,642 0.101,643 1.144,644 2.216,645 0.765,646 9.003,647 0.989,648 1.129,649 1.722,650 2.966,651 0.644,652 2.996,653 3.332,654 3.638,655 3.989,656 4.22,657 4.29,658 4.394,659 4.431,660 4.382,661 4.205,662 3.951,663 0.599,664 230.34,665 2.996,666 4.533,667 5.398,668 6.301,669 7.194,670 8.105,671 9.008,672 9.922,673 10.83,674 11.744,675 5.7,676 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 35,716 10,717 1,718 19,720 37,721 14,722 8,723 4,724 2,730 3,731 6,736 1,740 2,743 4,745 8,746 6,761 1,764 18,765 2,766 3,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,812 1,819 1,823 1,827 17,828 1,833 4,835 1,837 1,847 2.9,852 1,854 8.5,855 6.333,856 3.694,857 2.243,858 2.143,859 1.324,860 1.011,861 2.747,862 8.748,863 3.219,864 3.855,865 4.52,866 5.202,867 5.72,868 6.081,869 6.456,870 6.777,871 6.756,872 6.738,873 1,874 26,875 6.298,877 2.678,878 7.48,879 12.5,881 10.681,883 1.98,884 33.667,885 0.005,888 176.567,889 65.353,890 49.683,892 11,895 65.353,896 187.566,897 49.683,898 8.825,899 45.093,900 28,902 41.973,903 13.915,904 164.795,906 176.567,907 115.035,908 11,911 94.169,912 93.398,915 70.704,916 44.332,919 176.567,920 60.683,921 65.353,924 176.567,925 28.528,926 36.825,927 16.786,928 43.897,929 176.567,930 60.683,931 65.353,933 0.58,934 0.332,935 0.202,936 0.116,937 15,938 6,939 0.054,940 2,941 2,942 1.308,943 2.914,944 125.748,945 0.308,946 13,947 69.487,951 10.964,952 4.26,953 1.906,954 2.532,955 43.897,956 6.26,958 3.333,961 3.72,963 49.683,964 302.602,965 24,975 34.6,976 39.528,977 0.274,978 0.674,979 0.884,980 0.918,981 0.918,982 0.918,983 4.46,984 0.711,985 5.389,986 2.101,987 4.007,988 4.538,989 0.908,990 6.24,991 3.945,992 5.669,993 -0.2,994 6.963,995 1.66,996 3.611,997 4.477,999 7.239,1000 3.544,1001 6.992,1002 -0.506,1003 8.644,1004 -0.532,1005 5.617,1006 6.84,1007 0.739,1008 10.397,1009 5.514,1010 8.359,1011 -0.753,1012 10.39,1013 -1.272,1014 6.066,1015 7.685,1017 12.288,1018 5.963,1019 9.768,1020 -1,1021 12.181,1022 -1.928,1023 7.554,1024 9.528,1025 0.593,1026 14.969,1027 7.425,1028 11.206,1029 -1.075,1030 14.004,1031 -2,1032 8.404,1033 10.772,1035 17.208,1036 8.273,1037 12.668,1038 -1.401,1039 15.851,1040 -2.84,1041 9.689,1042 12.421,1043 0.469,1044 19.736,1045 9.538,1046 3.253,1047 -1.597,1048 17.715,1049 -3.922,1050 10.724,1051 13.835,1053 22.109,1054 10.568,1055 2.572,1056 11.637,1057 19.592,1058 -4.697,1059 11.933,1060 15.411,1061 0.366,1062 24.586,1063 11.761,1064 2.212,1065 8.161,1066 21.481,1067 4.639,1068 13.048,1069 16.896,1071 27.009,1072 12.868,1073 1.836,1074 6.294,1075 23.378,1076 3.338,1077 14.231,1078 18.445,1079 0.283,1080 29.47,1081 14.038,1082 1.522,1083 4.966,1084 25.281,1085 2.788,1086 15.381,1087 19.958,1089 31.911,1090 15.177,1091 1.443,1092 4.116,1093 27.19,1094 2.199,1095 16.558,1096 21.498,1097 0.217,1098 34.368,1099 16.34,1100 0.833,1101 3.091,1102 29.104,1103 1.872,1104 17.723,1105 23.023,1107 36.817,1108 17.493,1109 2153,1110 3148,1111 12.83,1112 22.557,1113 29.01,1114 29.085,1115 29.713,1116 28.74,1117 28.763,1118 36.702,1119 1.72,1120 84.053,1121 27.759,1122 5.626,1123 5.402,1124 6.596,1125 5.321,1126 5.253,1127 7.639,1128 1.72,1129 18.915,1130 5.205,1131 6.838,1132 1.527,1133 1.531,1134 1.564,1135 1.513,1136 1.514,1137 1.932,1138 0.091,1139 4.424,1140 1.461,1141 4.155,1142 4.183,1143 4.116,1144 4.074,1145 5.035,1146 4.081,1147 3.699,1148 3.753,1149 3.584,1150 3.551,1151 4.953,1152 3.55,1153 3.575,1154 3.652,1155 3.421,1156 3.401,1157 4.593,1158 3.394,1159 3.273,1160 3.333,1161 3.137,1162 3.147,1163 4.024,1164 3.138,1165 2.959,1166 3.038,1167 2.802,1168 2.782,1169 3.804,1170 2.776,1171 2.854,1172 2.957,1173 2.638,1174 2.613,1175 3.744,1176 2.602,1177 2.72,1178 2.871,1179 2.406,1180 2.395,1181 3.519,1182 2.385,1183 2.559,1184 2.644,1185 2.311,1186 2.204,1187 3.205,1188 2.212,1189 0.246,1190 0.179,1191 0.364,1192 0.223,1193 0.171,1194 4.681,1195 0.244,1196 3.402,1197 0.045,1198 6.913,1199 0.612,1200 4.238,1201 0.169,1202 3.253,1203 4.639,1204 0.86,1205 11.637,1206 3.205,1207 1.988,1208 1.971,1209 2.083,1210 2.079,1211 1.363,1212 2.08,1213 1.699,1214 1.641,1215 1.919,1216 1.888,1217 1.169,1218 1.902,1219 1.546,1220 1.486,1221 1.767,1222 1.751,1223 0.974,1224 1.758,1225 1.358,1226 1.286,1227 1.596,1228 1.564,1229 0.689,1230 1.582,1231 1.017,1232 0.962,1233 1.281,1234 1.251,1235 0.492,1236 1.265,1237 0.881,1238 0.792,1239 1.269,1240 1.165,1241 0.344,1242 1.207,1243 0.717,1244 0.586,1245 1.127,1246 1.103,1247 0.155,1248 1.131,1249 0.523,1250 0.459,1251 0.92,1252 0.802,1253 0.002,1254 0.851,1255 3.664,1257 4.99,1258 2.398,1259 6.524,1260 4.727,1261 8.163,1262 6.843,1263 9.862,1265 2.046,1269 5.906,1271 3.966,1273 5.716,1275 0.189,1280 20.972,1281 49.163,1282 120.996,1283 158.77,1284 164.77,1285 164.77,1286 164.77,1287 19.591,1288 6.605,1289 51.04,1290 51.04,1291 17,1292 12.257,1293 3.459,1294 2.585,1295 23.529,1296 39,1297 39,1298 0.309,1299 128.758,1300 212.11,1301 305.93,1302 5418,1304 11.828,1305 0.696,1306 0.595,1307 11.828,1308 10.123,1309 8.254,1310 0.434,1311 0.329,1312 6.194,1313 8.013,1314 6.026,1315 4.995,1316 8.254,1317 6.257,1318 7.59,1319 0.281,1320 0.182,1321 7.59,1322 4.912,1323 6.142,1324 0.166,1325 0.091,1326 6.142,1327 3.364,1328 5.644,1329 0.106,1330 0.05,1331 5.644,1332 2.675,1333 4.66,1334 0.07,1335 0.028,1336 4.66,1337 1.895,1338 0.451,1339 51.175,1340 0.279,1341 16.575,1342 0.957,1343 92,1344 209.381,1345 98.291,1346 204.421,1347 290.81,1348 194,1349 110,1350 223.06,1351 116.319,1352 226.424,1353 336.05,1354 215,1355 5.721} {0 CHEMBL134743,1 1.441,2 12.758,3 5.81,4 33.76,5 138.107,6 7.28,7 0.595,8 4.229,9 4.339,10 3.833,11 3.835,12 5.222,13 3.777,14 4.785,15 4.953,16 4.143,17 4.22,18 5.695,19 4.144,20 5.036,21 5.244,22 4.174,23 4.345,24 5.881,25 4.245,26 5.127,27 5.341,28 4.18,29 4.39,30 5.947,31 4.264,32 5.205,33 5.449,34 4.127,35 4.429,36 5.956,37 4.274,38 5.202,39 5.451,40 4.136,41 4.429,42 5.947,43 4.263,44 5.153,45 5.408,46 4.148,47 4.426,48 5.891,49 4.242,50 5.094,51 5.349,52 4.055,53 4.366,54 5.819,55 4.155,56 0.047,57 0.85,58 14.138,59 6.348,60 10.428,61 8.177,62 0.236,63 1.468,64 27.999,65 10.545,66 22.18,67 13.466,68 0.369,69 1.809,70 35.255,71 13.571,72 31.065,73 18.061,74 0.388,75 1.913,76 40.214,77 15.687,78 34.761,79 20.506,80 0.373,81 2.086,82 44.783,83 17.254,84 36.768,85 22.817,86 0.431,87 2.106,88 45.741,89 17.277,90 37.406,91 23.039,92 0.333,93 2.036,94 43.521,95 17.204,96 33.03,97 22.93,98 0.264,99 1.964,100 45.479,101 17.261,102 30.986,103 22.068,104 3,105 50,106 0.229,107 0.497,108 0.68,109 0.822,110 0.868,111 0.878,112 3.532,113 1.016,114 -5.33,115 -5.22,116 -4.88,119 44.4,121 1,124 1,125 5,127 1,140 12,141 3,142 3,149 2,169 13,172 7,178 16,181 2,182 8,189 11,192 1,193 7,199 10,203 4,211 10,214 1,215 5,222 11,225 1,226 5,233 9,237 5,244 6,249 5,256 3,259 2021,260 23.214,261 23.214,262 23.214,263 23.214,264 23.214,265 20.604,266 24.583,267 13.957,268 23.93,269 18.245,270 18.245,271 18.245,272 18.245,273 18.245,274 14.424,275 34.792,276 6.526,277 19.291,278 4.537,279 2.856,280 1.704,281 0.811,282 0.52,283 0.456,284 4.245,289 1,290 934,291 3.317,294 98.969,295 424.965,299 161.862,302 1.855,303 15.587,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 69,315 421,316 4.5,317 3.362,318 6.524,319 4.036,320 3.062,321 4.431,322 1.151,323 10.279,324 2.99,325 4.294,326 3.287,327 6.498,328 3.961,329 3.018,330 3.862,331 0.86,332 10.161,333 2.844,334 4.087,335 3.006,336 6.135,337 3.782,338 2.815,339 3.582,340 0.8,341 9.031,342 2.711,343 3.572,344 2.827,345 5.408,346 3.428,347 2.501,348 2.912,349 0.8,350 7.084,351 2.314,352 3.51,353 2.449,354 5.201,355 3.06,356 2.113,357 2.622,359 6.25,360 1.999,361 3.201,362 2.311,363 5.115,364 2.967,365 2.046,366 2.427,368 6.015,369 1.883,370 3.118,371 1.853,372 4.471,373 2.644,374 1.733,375 2.31,377 4.498,378 1.618,379 3.02,380 1.687,381 4.127,382 2.618,383 1.618,384 2.134,386 3.751,387 1.566,388 2.917,389 1.618,390 4.023,391 2.462,392 1.496,393 2.084,395 3.356,396 1.437,397 2.767,398 1.284,399 3.601,400 2.269,401 1.271,402 1.899,404 2.839,405 1.269,406 2.506,407 1.261,408 3.592,409 2.144,410 1.172,411 1.508,413 2.815,414 1.134,415 2.383,416 1.146,417 3.414,418 1.967,419 1,420 1.335,422 2.275,423 0.965,424 2.212,425 1.092,426 3.36,427 1.897,428 0.956,429 1.13,431 2.208,432 0.892,433 2.118,434 0.977,435 3.322,436 1.816,437 0.89,438 1,440 2.089,441 0.805,442 2,443 0.938,444 3.059,445 1.506,446 0.618,447 0.927,449 1.372,450 0.533,451 16.3,452 0.494,453 0.53,454 0.016,455 42.5,456 1.288,457 21.5,458 0.652,459 21,460 0.636,461 29.962,462 0.908,463 34.7,464 0.551,465 30.55,466 0.926,467 8.337,468 0.253,469 7.977,470 0.242,471 0.031,473 0.264,479 0.881,480 1.235,481 0.786,482 1.009,483 0.837,484 0.958,485 1.511,486 1.036,487 1.048,488 0.946,489 1.12,490 0.926,491 1.286,492 0.949,493 0.905,494 0.912,495 0.983,496 0.971,497 1.305,498 1.088,499 0.955,500 1.044,501 1.163,502 1.077,503 1.206,504 0.979,505 0.971,506 0.942,507 1.163,508 0.993,509 1.052,510 0.98,511 0.978,512 0.945,513 1.082,514 0.987,515 0.683,516 0.951,517 0.929,518 0.927,519 0.819,520 0.971,521 0.677,522 1.078,523 1.266,524 1.173,525 0.828,526 1.074,527 4.5,528 0.137,529 3.556,530 1.465,531 1.33,532 0.861,533 0.553,534 0.32,535 0.232,536 0.176,537 17126,538 39005,539 2.187,540 47.6,542 26,543 2,548 2,550 1.752,551 2.129,552 3.612,553 -0.841,559 90.756,560 1.441,561 3.121,562 4.273,563 5.166,564 5.457,565 5.521,566 3.037,567 4.658,568 5.019,569 3.83,570 2022.27,571 8.787,572 31061.7,577 376.569,578 1.027,579 5.01,580 0.122,581 0.005,582 0.071,583 0.029,584 0.028,585 0.019,586 0.012,587 0.007,588 0.006,589 0.006,590 0.304,591 0.33,592 0.88,593 0.459,594 176.53,595 0.04,596 -0.15,597 0.092,598 -0.031,599 0.049,600 0.004,601 -0.166,602 0.062,603 -0.072,604 0.014,605 -0.066,606 0.007,607 -0.012,608 0.073,609 -0.051,610 -0.023,611 0.066,612 -0.034,613 -0.008,614 -0.122,615 -0.062,616 -0.118,617 -0.018,618 -0.119,619 -0.102,620 -0.011,621 -0.043,622 -0.001,623 -0.128,624 -0.021,625 -0.033,626 -0.004,627 -0.015,628 0.016,629 -0.102,630 -0.008,631 0.034,632 0.033,633 0.064,634 0.069,635 -0.018,636 0.029,637 -0.024,638 -0.06,639 -0.059,640 -0.055,641 -0.07,642 -0.052,643 1.283,644 3.137,645 0.818,646 34.553,647 0.989,648 1.113,649 4.1,650 16.814,651 0.686,652 3.638,653 3.932,654 4.234,655 4.489,656 4.682,657 4.71,658 4.836,659 4.949,660 5.05,661 5.063,662 7.748,663 0.635,664 458.67,665 3.638,666 5.165,667 6.019,668 6.884,669 7.751,670 8.621,671 9.491,672 10.363,673 11.234,674 12.106,675 3.2,678 1,681 1,687 2,688 14,692 1,693 4,695 22,709 1,712 2,714 63,716 22,717 3,718 37,720 67,721 28,722 20,723 5,724 11,730 5,731 6,743 2,745 20,746 8,764 30,765 4,767 5,768 1,773 2,777 0.8,778 2,792 1,793 4,797 1,815 1,819 4,821 1,823 1,827 33,833 6,835 2,837 1,838 2,842 1,847 3.2,852 2,854 15.5,855 11.4,856 7.389,857 3.821,858 3.164,859 1.399,860 1.007,861 7.25,862 11.086,863 3.892,864 4.457,865 5.047,866 5.601,867 6.044,868 6.207,869 6.545,870 6.878,871 7.224,872 7.177,873 1,874 51,875 12.218,877 5.114,878 7.414,879 24.241,881 20.208,883 1.914,884 63.167,888 353.133,889 205.812,890 6.249,892 22,894 31.278,895 174.534,896 375.133,897 6.249,898 10.883,899 13.063,900 129.013,902 49.824,903 23.542,904 360.869,906 353.133,907 180.783,908 22,909 31.278,911 329.591,912 45.542,915 16.187,916 164.596,918 31.278,919 353.133,920 28.248,921 205.812,924 353.133,925 65.916,926 146.145,928 22,929 353.133,930 28.248,931 205.812,933 0.568,934 0.344,935 0.194,936 0.101,937 24,938 9,939 0.119,940 8,941 1,942 1.074,943 4.531,944 306.281,945 0.074,946 27,947 160.465,948 1,951 22.393,952 10.684,953 5.239,954 2.386,955 28.248,956 29.612,960 1.733,961 4.368,964 587.193,965 48,975 62.305,976 70.148,977 0.241,978 0.522,979 0.715,980 0.864,981 0.913,982 0.924,983 5.109,984 1.618,985 5.969,986 4.498,987 4.615,988 5.145,989 1.953,990 6.756,991 4.514,992 6.275,993 1.496,994 7.505,995 3.751,996 4.007,997 4.732,998 0.57,999 7.618,1000 3.862,1001 7.555,1002 1.271,1003 9.146,1004 3.356,1005 6.176,1006 7.302,1007 1.875,1008 10.726,1009 5.989,1010 8.874,1011 1.172,1012 10.852,1013 2.839,1014 6.479,1015 7.84,1016 0.479,1017 12.465,1018 6.243,1019 10.231,1020 1,1021 12.602,1022 2.815,1023 8.024,1024 9.79,1025 1.945,1026 15.053,1027 7.761,1028 11.614,1029 0.956,1030 14.381,1031 2.275,1032 8.748,1033 10.792,1034 0.346,1035 17.129,1036 8.439,1037 13.018,1038 0.89,1039 16.18,1040 2.208,1041 10.035,1042 12.475,1043 2.091,1044 19.544,1045 9.7,1046 3.062,1047 0.618,1048 17.994,1049 2.089,1050 10.96,1051 13.71,1052 0.237,1053 21.758,1054 10.582,1055 3.018,1056 10.279,1057 19.819,1058 1.372,1059 12.137,1060 15.272,1061 2.283,1062 24.11,1063 11.731,1064 2.815,1065 10.161,1066 21.652,1067 4.431,1068 13.155,1069 16.625,1070 0.158,1071 26.381,1072 12.71,1073 2.501,1074 9.031,1075 23.491,1076 3.862,1077 14.286,1078 18.135,1079 2.506,1080 28.711,1081 13.812,1082 2.113,1083 7.084,1084 25.335,1085 3.582,1086 15.348,1087 19.547,1088 0.104,1089 31.007,1090 14.838,1091 2.046,1092 6.25,1093 27.183,1094 2.912,1095 16.461,1096 21.035,1097 2.749,1098 33.329,1099 15.92,1100 1.733,1101 6.015,1102 29.034,1103 2.622,1104 17.544,1105 22.479,1106 0.068,1107 35.637,1108 16.969,1109 15775,1110 23937,1111 25.83,1112 43.228,1113 54.821,1114 54.765,1115 55.333,1116 54.444,1117 54.513,1118 70.476,1119 7.222,1120 151.832,1121 51.606,1122 5.5,1123 5.362,1124 6.216,1125 5.139,1126 5.062,1127 7.431,1128 2.302,1129 17.15,1130 4.99,1131 8.081,1132 1.482,1133 1.48,1134 1.495,1135 1.471,1136 1.473,1137 1.905,1138 0.195,1139 4.104,1140 1.395,1141 4.092,1142 4.111,1143 4.211,1144 4.044,1145 4.962,1146 4.04,1147 3.965,1148 4.008,1149 4.031,1150 3.914,1151 4.865,1152 3.867,1153 3.879,1154 3.894,1155 3.896,1156 3.847,1157 4.688,1158 3.826,1159 3.736,1160 3.788,1161 3.648,1162 3.582,1163 4.439,1164 3.579,1165 3.482,1166 3.521,1167 3.423,1168 3.389,1169 4.403,1170 3.379,1171 3.408,1172 3.469,1173 3.31,1174 3.29,1175 4.312,1176 3.263,1177 3.249,1178 3.315,1179 3.063,1180 2.971,1181 4.198,1182 2.98,1183 3.111,1184 3.206,1185 3.009,1186 2.96,1187 3.856,1188 2.959,1189 0.122,1190 0.091,1191 0.176,1192 0.109,1193 0.083,1194 4.5,1195 0.12,1196 3.362,1197 0.031,1198 6.524,1199 0.278,1200 4.036,1201 0.081,1202 3.062,1203 4.431,1204 1.151,1205 10.279,1206 2.99,1207 2.064,1208 2.048,1209 2.146,1210 2.126,1211 1.35,1212 2.133,1213 1.912,1214 1.88,1215 2.045,1216 2.066,1217 1.277,1218 2.063,1219 1.761,1220 1.712,1221 1.939,1222 1.92,1223 1.174,1224 1.928,1225 1.629,1226 1.581,1227 1.815,1228 1.781,1229 1.02,1230 1.794,1231 1.469,1232 1.429,1233 1.653,1234 1.583,1235 0.825,1236 1.609,1237 1.343,1238 1.33,1239 1.573,1240 1.513,1241 0.737,1242 1.533,1243 1.259,1244 1.216,1245 1.55,1246 1.48,1247 0.686,1248 1.511,1249 1.197,1250 1.124,1251 1.513,1252 1.376,1253 0.574,1254 1.429,1255 4.317,1257 5.617,1258 2.398,1259 7.122,1260 4.443,1261 8.72,1262 6.293,1263 10.364,1265 1.746,1271 6.09,1273 12.199,1275 0.05,1276 4.982,1280 40.035,1281 90.756,1282 196.636,1283 269.21,1284 325.449,1285 343.814,1286 347.814,1287 42.93,1288 7.922,1289 24.94,1290 53.18,1291 29,1292 12.648,1293 4.524,1294 3.585,1295 47.877,1296 153,1297 142,1298 0.147,1299 245.827,1300 419.25,1301 591.578,1302 33018,1304 22.46,1305 0.681,1306 0.601,1307 22.813,1308 19.839,1309 16.314,1310 0.441,1311 0.339,1312 11.535,1313 15.339,1314 11.171,1315 9.221,1316 16.814,1317 12.527,1318 13.914,1319 0.278,1320 0.184,1321 14.412,1322 9.21,1323 12.33,1324 0.181,1325 0.105,1326 12.845,1327 7.141,1328 10.447,1329 0.119,1330 0.06,1331 11.043,1332 5.309,1333 8.287,1334 0.077,1335 0.033,1336 8.613,1337 3.559,1338 0.235,1339 106.003,1340 0.197,1341 30.917,1342 0.393,1343 174,1344 427.622,1345 204.524,1346 434.438,1347 608.68,1348 414,1349 205,1350 438.896,1351 233.28,1352 459.332,1353 672.31,1354 433,1355 5.903} {0 CHEMBL135878,1 1.513,2 11.926,3 4.299,4 18.481,5 112.885,6 7.462,7 0.533,8 4.02,9 4.13,10 3.647,11 3.626,12 5.034,13 3.566,14 4.58,15 4.756,16 3.984,17 4.021,18 5.509,19 3.939,20 4.814,21 5.021,22 4.04,23 4.159,24 5.732,25 4.047,26 4.889,27 5.098,28 3.988,29 4.17,30 5.809,31 4.028,32 4.944,33 5.2,34 3.776,35 4.089,36 5.769,37 3.925,38 4.85,39 5.105,40 3.644,41 3.95,42 5.724,43 3.787,44 4.682,45 4.954,46 3.527,47 3.829,48 5.478,49 3.647,50 4.546,51 4.81,52 3.474,53 3.77,54 5.266,55 3.578,56 0.024,57 0.709,58 11.206,59 5.121,60 6.843,61 6.519,62 0.196,63 1.225,64 22.801,65 8.501,66 16.445,67 10.798,68 0.315,69 1.491,70 29.361,71 11.1,72 27.809,73 14.406,74 0.291,75 1.536,76 33.172,77 12.83,78 34.72,79 16.375,80 0.306,81 1.585,82 36.18,83 13.213,84 36.874,85 17.317,86 0.401,87 1.429,88 33.052,89 11.475,90 46.315,91 15.159,92 0.28,93 1.22,94 26.918,95 10.05,96 35.8,97 13.622,98 0.199,99 1.112,100 26.782,101 9.572,102 19.238,103 12.232,104 6,105 41,106 0.253,107 0.546,108 0.7,109 0.828,110 0.855,111 0.855,112 3.339,113 1.024,114 -4.24,115 -4.18,116 -3.95,119 43.1,121 1,124 1,125 5,140 8,141 2,142 2,149 1,150 1,155 1,169 8,172 5,178 11,181 2,182 5,189 8,192 1,193 5,199 4,203 5,211 2,214 1,215 5,222 1,225 1,226 4,233 1,237 3,244 2,249 3,256 2,259 1065,260 18.784,261 18.784,262 18.784,263 18.784,264 18.784,265 16.808,266 18.041,267 11.148,268 19.324,269 14.741,270 14.741,271 14.741,272 14.741,273 14.741,274 11.717,275 24.458,276 5.166,277 15.503,278 4.16,279 2.407,280 1.49,281 0.721,282 0.564,283 0.564,284 4.041,288 1,289 1,290 708,291 3.082,294 64.154,295 262.785,298 119.832,302 1.866,303 17.48,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57,315 322,316 4.577,317 3.638,318 6.679,319 4.113,320 3.135,321 4.511,322 1.277,323 10.751,324 3.075,325 4.294,326 3.288,327 6.498,328 3.961,329 3.018,330 3.862,331 0.86,332 10.161,333 2.844,334 3.778,335 2.901,336 5.631,337 3.481,338 2.538,339 3.143,340 0.8,341 7.328,342 2.41,343 3.552,344 2.82,345 5.402,346 3.323,347 2.34,348 2.615,349 0.8,350 7.003,351 2.263,352 3.181,353 2.447,354 5.114,355 2.952,356 2.033,357 2.321,359 6.008,360 1.867,361 3.047,362 1.761,363 4.481,364 2.522,365 1.548,366 2.29,368 4.216,369 1.517,370 2.965,371 1.69,372 4.036,373 2.463,374 1.512,375 2.109,377 3.476,378 1.437,379 2.917,380 1.545,381 3.962,382 2.459,383 1.49,384 2.084,386 3.331,387 1.4,388 2.547,389 1.289,390 3.6,391 2.148,392 1.169,393 1.559,395 2.82,396 1.142,397 2.486,398 1.146,399 3.562,400 2.002,401 1.051,402 1.47,404 2.576,405 0.985,406 2,407 1.121,408 3.414,409 1.967,410 1,411 1,413 2.275,414 0.965,415 1.982,416 1.065,417 3.157,418 1.571,419 0.637,420 0.799,422 1.462,423 0.58,424 1.73,425 0.938,426 2.936,427 1.367,428 0.485,429 0.569,431 0.866,432 0.422,433 1.603,434 0.564,435 2.733,436 1.287,437 0.328,438 0.42,440 0.669,441 0.31,442 0.889,443 0.144,444 2.382,445 0.671,446 -0.299,447 -0.331,449 -0.625,450 -0.286,451 13.3,452 0.493,453 0.5,454 0.019,455 33.75,456 1.25,457 16.5,458 0.611,459 17.25,460 0.639,461 23.094,462 0.855,463 28.7,464 0.563,465 22.795,466 0.844,467 6.633,468 0.246,469 6.626,470 0.245,471 0.063,473 0.286,479 0.751,480 1.27,481 0.764,482 1.002,483 0.545,484 0.961,485 1.255,486 0.974,487 0.962,488 0.848,489 0.697,490 0.861,491 1.056,492 0.895,493 0.938,494 0.884,495 0.967,496 0.943,497 1.002,498 1.166,499 1.039,500 1.158,501 1.2,502 1.156,503 1.11,504 1.01,505 0.992,506 0.994,507 0.958,508 1.017,509 1.327,510 1.023,511 1.005,512 0.964,513 1.678,514 1.029,515 0.854,516 0.921,517 0.798,518 0.823,519 1.275,520 0.936,521 0.798,522 0.929,523 1.169,524 1.037,525 0.475,526 0.954,527 4,528 0.136,529 3.333,530 1.694,531 1.152,532 0.684,533 0.483,534 0.255,535 0.128,536 0.139,537 10177,538 24805,539 2.142,540 47.1,542 21,543 1,546 2,550 1.694,551 2.051,552 3.528,553 -0.806,555 1,559 77.147,560 1.513,561 3.266,562 4.183,563 4.952,564 5.109,565 5.109,566 2.94,567 4.607,568 4.731,569 3.721,570 1305.91,571 8.172,572 17479.4,574 1,576 1,577 289.294,578 1.218,579 4.706,580 0.133,581 0.007,582 0.081,583 0.04,584 0.031,585 0.022,586 0.019,587 0.011,588 0.006,589 0.007,590 0.358,591 0.17,592 1,593 0.63,594 136.308,595 0.019,596 -0.168,597 0.086,598 -0.025,599 0.014,600 0.001,601 -0.167,602 0.139,603 -0.005,604 0.111,605 -0.037,606 0.073,607 -0.021,608 0.153,609 -0.018,610 0.051,611 0.002,612 0.005,613 0.023,614 -0.192,615 -0.084,616 -0.179,617 -0.017,618 -0.18,619 -0.071,620 -0.064,621 -0.057,622 -0.061,623 -0.016,624 -0.044,625 -0.075,626 -0.082,627 -0.083,628 -0.058,629 -0.16,630 -0.076,631 0.033,632 0.013,633 0.077,634 0.076,635 -0.086,636 0.041,637 -0.047,638 0.069,639 -0.03,640 0.03,641 0.01,642 0.057,643 1.417,644 5.685,645 0.778,646 25.572,647 0.993,648 1.116,649 3.013,650 9.076,651 0.685,652 3.434,653 3.738,654 4.043,655 4.29,656 4.466,657 4.443,658 4.522,659 4.595,660 4.564,661 4.625,662 7.163,663 0.636,664 380.55,665 3.434,666 4.963,667 5.82,668 6.691,669 7.562,670 8.437,671 9.311,672 10.188,673 11.064,674 11.941,675 3.9,678 1,681 1,687 2,688 9,692 1,693 3,695 16,700 1,709 1,712 1,714 51,716 17,717 2,718 30,720 54,721 22,722 14,723 4,724 8,725 1,730 4,731 5,743 1,745 15,746 7,750 1,755 1,759 1,761 1,764 24,765 4,767 5,768 1,773 2,777 0.75,778 2,792 1,793 3,796 1,815 1,819 3,821 1,823 1,827 27,833 6,835 1,838 2,842 1,847 3.9,850 1,852 1,854 13.167,855 9.4,856 6.056,857 3.106,858 2.97,859 1.394,860 1.001,861 5.745,862 10.504,863 3.689,864 4.259,865 4.867,866 5.433,867 5.879,868 6.044,869 6.321,870 6.584,871 6.365,872 6.554,873 0.875,874 42,875 10.022,877 4.222,878 7.549,879 19.683,881 16.385,883 2.049,884 55.333,886 1,887 1,888 282.506,889 158.321,890 6.249,892 36.145,894 31.278,895 127.043,896 318.651,897 6.249,898 10.883,899 13.063,900 83.459,901 30.278,902 31.007,903 12.517,904 302.013,906 282.506,907 133.292,908 36.145,909 31.278,911 282.506,912 36.145,915 16.187,916 117.104,918 31.278,919 282.506,920 42.393,921 158.321,924 282.506,925 63.979,926 100.591,928 36.145,929 282.506,930 42.393,931 158.321,933 0.572,934 0.35,935 0.195,936 0.102,937 20,938 8,939 0.111,940 6,941 1,942 1.095,943 4.023,944 226.263,945 0.095,946 21,947 124.382,948 1,951 18.454,952 8.406,953 4.018,954 2.278,955 42.393,956 18.32,960 1.652,961 2.953,964 483.221,965 39,970 12.685,974 0.25,975 50.654,976 56.903,977 0.267,978 0.576,979 0.737,980 0.873,981 0.901,982 0.901,983 4.913,984 1.49,985 5.784,986 3.476,987 4.419,988 4.945,989 2.036,990 6.589,991 4.328,992 6.091,993 1.169,994 7.336,995 3.331,996 3.892,997 4.663,998 0.57,999 7.506,1000 3.769,1001 7.385,1002 1.051,1003 8.994,1004 2.82,1005 5.999,1006 7.135,1007 2.121,1008 10.614,1009 5.831,1010 8.72,1011 1,1012 10.716,1013 2.576,1014 6.365,1015 7.792,1016 0.479,1017 12.407,1018 6.164,1019 10.094,1020 0.637,1021 12.481,1022 2.275,1023 7.883,1024 9.69,1025 2.402,1026 15.015,1027 7.649,1028 11.496,1029 0.485,1030 14.276,1031 1.462,1032 8.658,1033 10.79,1034 0.346,1035 17.144,1036 8.392,1037 12.919,1038 0.328,1039 16.091,1040 0.866,1041 9.937,1042 12.452,1043 2.78,1044 19.59,1045 9.644,1046 3.135,1047 -0.299,1048 17.921,1049 0.669,1050 10.903,1051 13.762,1052 0.237,1053 21.853,1054 10.579,1055 3.018,1056 10.751,1057 19.763,1058 -0.625,1059 12.086,1060 15.324,1061 3.211,1062 24.242,1063 11.736,1064 2.538,1065 10.161,1066 21.614,1067 4.511,1068 13.138,1069 16.732,1070 0.158,1071 26.56,1072 12.76,1073 2.34,1074 7.328,1075 23.472,1076 3.862,1077 14.283,1078 18.253,1079 3.67,1080 28.929,1081 13.881,1082 2.033,1083 7.003,1084 25.335,1085 3.143,1086 15.375,1087 19.708,1088 0.104,1089 31.27,1090 14.947,1091 1.548,1092 6.008,1093 27.203,1094 2.615,1095 16.507,1096 21.214,1097 4.143,1098 33.633,1099 16.055,1100 1.512,1101 4.216,1102 29.074,1103 2.321,1104 17.618,1105 22.691,1106 0.068,1107 35.984,1108 17.142,1109 9506,1110 14960,1111 20.572,1112 34.944,1113 44.919,1114 45.707,1115 45.879,1116 44.542,1117 44.567,1118 57.503,1119 7.475,1120 125.884,1121 42.434,1122 5.577,1123 5.638,1124 6.371,1125 5.2,1126 5.135,1127 7.511,1128 2.555,1129 17.8,1130 5.075,1131 9.571,1132 1.497,1133 1.524,1134 1.529,1135 1.485,1136 1.486,1137 1.917,1138 0.249,1139 4.196,1140 1.414,1141 4.09,1142 4.098,1143 4.325,1144 4.111,1145 7.427,1146 4.061,1147 3.959,1148 3.999,1149 3.899,1150 3.852,1151 4.874,1152 3.856,1153 3.758,1154 3.813,1155 3.656,1156 3.596,1157 4.84,1158 3.601,1159 3.542,1160 3.582,1161 3.46,1162 3.413,1163 4.404,1164 3.409,1165 3.285,1166 3.333,1167 3.408,1168 3.23,1169 4.314,1170 3.171,1171 3.249,1172 3.314,1173 3.063,1174 2.969,1175 4.156,1176 2.979,1177 3.111,1178 3.206,1179 2.998,1180 2.941,1181 3.856,1182 2.91,1183 3.004,1184 3.055,1185 2.866,1186 2.88,1187 3.686,1188 2.849,1189 0.153,1190 0.121,1191 0.223,1192 0.137,1193 0.104,1194 4.577,1195 0.15,1196 3.638,1197 0.043,1198 6.679,1199 0.358,1200 4.113,1201 0.102,1202 3.135,1203 4.511,1204 1.277,1205 10.751,1206 3.075,1207 1.934,1208 1.917,1209 2.047,1210 2.068,1211 1.334,1212 2.065,1213 1.91,1214 1.879,1215 2.01,1216 1.987,1217 1.168,1218 2,1219 1.739,1220 1.686,1221 1.92,1222 1.904,1223 1.074,1224 1.914,1225 1.574,1226 1.547,1227 1.743,1228 1.719,1229 0.98,1230 1.735,1231 1.289,1232 1.248,1233 1.573,1234 1.512,1235 0.825,1236 1.533,1237 1.197,1238 1.124,1239 1.513,1240 1.411,1241 0.656,1242 1.452,1243 1.153,1244 1.064,1245 1.421,1246 1.376,1247 0.574,1248 1.429,1249 0.987,1250 0.963,1251 1.173,1252 1.152,1253 0.37,1254 1.179,1255 4.111,1257 5.416,1258 2.398,1259 6.929,1260 4.727,1261 8.53,1262 6.843,1263 10.176,1265 1.717,1271 5.246,1273 5.482,1276 4.752,1280 32.454,1281 77.147,1282 166.551,1283 213.32,1284 252.539,1285 260.539,1286 260.539,1287 39.527,1288 7.534,1289 32.78,1290 61.02,1291 23,1292 12.479,1293 4.17,1294 3.322,1295 40.556,1296 119,1297 92,1298 0.166,1299 201.521,1300 343.99,1301 483.472,1302 21288,1304 18.64,1305 0.69,1306 0.606,1307 18.993,1308 16.374,1309 13.258,1310 0.442,1311 0.341,1312 9.319,1313 12.367,1314 9.004,1315 7.42,1316 13.712,1317 10.238,1318 11.402,1319 0.278,1320 0.189,1321 11.953,1322 7.73,1323 10.139,1324 0.181,1325 0.111,1326 10.828,1327 6.198,1328 8.467,1329 0.118,1330 0.065,1331 9.317,1332 4.657,1333 6.767,1334 0.079,1335 0.037,1336 7.452,1337 3.213,1338 0.268,1339 86.971,1340 0.22,1341 26.392,1342 0.435,1343 142,1344 373.622,1345 173.761,1346 380.505,1347 523.75,1348 360,1349 168,1350 365.511,1351 198.633,1352 386.775,1353 566.45,1354 364,1355 5.301} {0 CHEMBL136311,1 1.392,2 6.273,3 1.416,4 2.006,5 45.246,6 6.301,7 0.545,8 3.234,9 3.369,10 2.647,11 2.706,12 4.252,13 2.661,14 3.728,15 3.937,16 2.789,17 2.962,18 4.659,19 2.881,20 3.868,21 4.121,22 2.672,23 2.95,24 4.712,25 2.819,26 3.693,27 3.958,28 2.376,29 2.75,30 4.456,31 2.59,32 3.561,33 3.842,34 2.193,35 2.612,36 4.29,37 2.445,38 3.36,39 3.645,40 2.049,41 2.503,42 4.103,43 2.318,44 3.246,45 3.549,46 1.707,47 2.323,48 3.961,49 2.096,50 3.017,51 3.368,52 1.074,53 1.962,54 3.57,55 1.661,56 0.027,57 0.317,58 5.755,59 2.209,60 4.687,61 3.156,62 0.106,63 0.449,64 9.711,65 3.166,66 11.425,67 4.657,68 0.184,69 0.453,70 11.149,71 3.711,72 15.606,73 5.35,74 0.094,75 0.374,76 9.143,77 3.189,78 10.849,79 4.614,80 0.101,81 0.331,82 7.989,83 2.645,84 10.021,85 3.954,86 0.045,87 0.302,88 6.338,89 2.188,90 6.736,91 3.453,92 0.043,93 0.253,94 5.598,95 1.956,96 6.93,97 3.067,98 0.035,99 0.174,100 4.334,101 1.569,102 5.368,103 2.426,104 6,105 12,106 0.293,107 0.589,108 0.727,109 0.793,110 0.817,111 0.817,112 2.515,113 1.025,114 -2.86,115 -2.87,116 -2.77,119 37.5,124 1,125 2,140 5,142 1,169 4,172 2,178 4,182 2,184 1,189 2,193 1,208 2,220 2,231 1,259 100,260 7.682,261 7.682,262 7.682,263 7.682,264 7.682,265 6.931,266 8.366,267 5.187,268 7.913,269 5.432,270 5.432,271 5.432,272 5.432,273 5.432,274 4.388,275 9.52,276 2.467,277 5.755,278 3.193,279 1.786,280 1.13,281 0.813,282 0.698,283 0.698,284 3.123,289 1,290 135,291 2.121,295 36.252,302 1.025,303 4.794,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 23.5,315 69,316 3.896,317 2.872,318 5.34,319 3.467,320 2.522,321 3.444,322 0.86,323 6.965,324 2.381,325 2.957,326 1.979,327 3.729,328 2.631,329 1.695,330 2.118,331 0.4,332 3.364,333 1.576,334 2.601,335 1.6,336 3.458,337 2.376,338 1.414,339 1.607,341 2.816,342 1.355,343 2.5,344 1.117,345 3.247,346 2,347 1,348 1.5,350 2.136,351 1,352 1.785,353 1,354 2.737,355 1.596,356 0.704,357 0.747,359 1.197,360 0.624,361 0.947,362 0.081,363 1.858,364 0.711,365 -0.215,366 -0.235,368 -0.364,369 -0.197,370 0.5,371 -0.454,372 1.555,373 0.113,374 -0.822,375 -0.976,377 -1.54,378 -0.756,379 0.441,380 -1,381 1.085,383 -1,384 -1.5,386 -2.347,387 -1,388 -0.295,389 -1.2,390 0.703,391 -0.488,392 -1.414,393 -1.591,395 -2.809,396 -1.317,397 -0.5,398 -1.475,399 0.198,400 -1,401 -1.884,402 -2.114,403 -0.4,404 -4.628,405 -1.666,406 -0.833,407 -2,408 0.09,409 -1.006,410 -2,411 -3,412 -0.86,413 -4.789,414 -2,451 5.233,452 0.476,453 0.068,454 0.006,455 13,456 1.182,457 6.5,458 0.591,459 6.5,460 0.591,461 5.72,462 0.52,463 12.767,464 0.532,465 6.72,466 0.611,467 2.912,468 0.265,469 2.52,470 0.229,471 0.096,473 0.096,479 0.976,480 1.427,481 0.982,482 1.282,483 0.985,484 1.146,485 1.55,486 1.031,487 1.164,488 1.039,489 1.321,490 1.038,491 1.398,492 0.825,493 1.041,494 0.906,495 1.218,496 0.935,497 1.236,498 1.039,499 1.024,500 1.063,501 1.104,502 1.036,503 1.304,504 0.914,505 1.005,506 0.839,507 1.204,508 0.892,509 0.442,510 1.189,511 0.998,512 1.105,513 0.622,514 1.106,515 0.42,516 1.111,517 1.045,518 1.121,519 0.769,520 1.143,521 0.246,522 0.824,523 0.85,524 0.929,525 0.63,526 0.955,527 1,529 0.444,530 0.188,531 0.151,532 0.09,533 0.06,534 0.043,535 0.02,537 673,538 1552,539 1.948,540 54.2,542 12,545 1,550 1.414,551 1.886,552 2.738,553 -0.206,559 33.404,560 1.392,561 2.799,562 3.455,563 3.772,564 3.887,565 3.887,566 2.231,567 3.096,568 3.428,569 2.766,570 152.156,571 5.542,572 1008.71,574 1,577 110.039,578 0.866,579 3.425,580 0.091,582 0.037,583 0.019,584 0.022,585 0.015,586 0.012,587 0.014,588 0.02,590 0.23,591 0.83,592 1,593 1.887,594 38.257,595 -0.012,596 -0.172,597 0.029,598 -0.122,599 -0.036,600 -0.049,601 -0.19,602 0.068,603 -0.133,604 -0.045,605 -0.143,606 -0.068,607 0.017,608 0.108,609 -0.033,610 0.037,611 0.003,613 -0.071,614 -0.149,615 -0.057,616 -0.108,617 -0.038,618 -0.087,619 -0.156,620 -0.028,621 -0.037,622 0.085,623 -0.143,624 0.036,625 -0.008,626 -0.189,627 -0.097,628 -0.153,629 0.017,630 -0.139,631 -0.017,632 -0.164,633 -0.161,634 -0.192,635 -0.099,636 -0.193,637 0.062,638 -0.019,640 -0.046,641 -0.013,642 -0.031,643 0.777,644 1.884,645 0.545,646 5.554,647 0.989,648 1.133,649 1.629,650 2.654,651 0.626,652 2.485,653 2.565,654 2.639,655 2.708,656 2.773,657 2.398,658 2.197,659 1.946,660 1.609,661 1.099,662 3.819,663 0.579,664 151.23,665 2.485,666 3.85,667 4.575,668 5.323,669 6.071,670 6.832,671 7.588,672 8.355,673 9.115,674 9.884,675 4.2,677 1,688 5,693 1,695 6,712 1,714 24,716 6,717 1,718 11,720 24,721 9,722 6,723 1,724 5,730 1,731 1,745 6,746 3,764 13,765 2,766 1,767 2,773 1,777 1,778 1,793 1,814 1,819 1,823 1,827 11,833 2,834 1,835 1,847 4.2,852 1,854 5.833,855 4.333,856 2.75,857 1.361,858 1.166,859 1.25,860 0.906,861 3.658,862 5.839,863 2.708,864 3.068,865 3.458,866 3.863,867 4.276,868 3.703,869 3.626,870 3.498,871 3.27,872 2.784,873 1,874 10,875 4.034,876 -0.011,877 1.486,878 7.561,879 7.817,880 -0.004,881 5.576,882 -0.008,883 2.061,884 22.667,885 0.022,888 141.253,889 67.719,890 18.011,892 11,895 67.719,896 152.253,897 18.011,898 8.396,899 6.698,900 65.392,902 16.243,904 141.253,906 141.253,907 85.73,908 11,911 141.253,912 11,915 24.709,916 61.021,919 141.253,920 29.011,921 67.719,924 141.253,925 11.942,926 55.778,927 18.011,928 11,929 141.253,930 29.011,931 67.719,933 0.512,934 0.272,935 0.141,936 0.076,937 4,938 1,939 0.167,940 4,942 1,943 2.427,944 50.541,946 6,947 34.054,951 8.241,952 4.883,953 3.164,955 29.011,956 9.819,961 0.933,963 18.011,964 237.983,965 14,975 23.731,976 27.199,977 0.304,978 0.61,979 0.754,980 0.823,981 0.848,982 0.848,983 3.773,984 -1,985 4.394,986 -1.54,987 3.219,988 3.738,989 1.029,990 4.905,991 3.114,992 4.83,993 -1.414,994 5.746,995 -2.347,996 1.946,997 2.674,999 5.094,1000 1.758,1001 6.002,1002 -1.884,1003 7.198,1004 -2.809,1005 4.489,1006 5.66,1007 0.763,1008 8.203,1009 4.275,1010 7.215,1011 -2,1012 8.717,1013 -4.628,1014 4.111,1015 5.493,1017 9.405,1018 3.759,1019 8.467,1021 10.283,1022 -4.789,1023 6.014,1024 7.877,1025 0.597,1026 11.841,1027 5.696,1028 9.746,1030 11.883,1032 6.168,1033 8.179,1035 13.454,1036 5.695,1037 11.046,1039 13.507,1041 7.675,1042 10.215,1043 0.47,1044 15.616,1045 7.252,1046 2.522,1048 15.147,1050 8.139,1051 10.79,1053 17.408,1054 7.558,1055 1.695,1056 6.965,1057 16.799,1059 9.413,1060 12.604,1061 0.367,1062 19.45,1063 8.88,1064 1.414,1065 3.364,1066 18.459,1067 3.444,1068 10.062,1069 13.356,1071 21.323,1072 9.376,1073 1,1074 2.816,1075 20.124,1076 2.118,1077 11.197,1078 15.02,1079 0.283,1080 23.309,1081 10.549,1082 0.704,1083 2.136,1084 21.792,1085 1.607,1086 11.955,1087 15.895,1089 25.219,1090 11.165,1091 -0.215,1092 1.197,1093 23.462,1094 1.5,1095 13.007,1096 17.451,1097 0.217,1098 27.181,1099 12.24,1100 -0.822,1101 -0.364,1102 25.134,1103 0.747,1104 13.832,1105 18.415,1107 29.108,1108 12.937,1109 751,1110 1184,1111 7.337,1112 15.029,1113 14.752,1114 14.844,1115 15.204,1116 14.685,1117 14.67,1118 18.833,1119 2.52,1120 32.954,1121 13.872,1122 4.729,1123 4.872,1124 5.25,1125 4.473,1126 4.522,1127 6.444,1128 1.72,1129 11.754,1130 4.381,1131 3.787,1132 1.341,1133 1.349,1134 1.382,1135 1.335,1136 1.334,1137 1.712,1138 0.229,1139 2.996,1140 1.261,1141 3.895,1142 3.921,1143 3.823,1144 3.814,1145 4.864,1146 3.812,1147 3.592,1148 3.679,1149 3.428,1150 3.361,1151 4.417,1152 3.366,1153 3.162,1154 3.248,1155 2.963,1156 2.899,1157 4.186,1158 2.896,1159 2.854,1160 2.925,1161 2.687,1162 2.735,1163 3.674,1164 2.715,1165 2.816,1166 2.88,1167 2.627,1168 2.67,1169 3.465,1170 2.652,1171 2.386,1172 2.522,1173 2.046,1174 2.045,1175 3.116,1176 2.023,1177 1.786,1178 1.994,1179 1.322,1180 1.273,1181 2.511,1182 1.244,1183 1.602,1184 1.802,1185 1.124,1186 1.217,1187 2.075,1188 1.144,1189 0.354,1190 0.261,1191 0.485,1192 0.315,1193 0.229,1194 3.896,1195 0.313,1196 2.872,1197 0.078,1198 5.34,1199 0.633,1200 3.467,1201 0.216,1202 2.522,1203 3.444,1204 0.86,1205 6.965,1206 2.381,1207 1.874,1208 1.849,1209 2.002,1210 1.982,1211 1.078,1212 1.988,1213 1.55,1214 1.468,1215 1.828,1216 1.812,1217 1.001,1218 1.825,1219 1.141,1220 1.046,1221 1.525,1222 1.436,1223 0.61,1224 1.467,1225 0.886,1226 0.821,1227 1.181,1228 1.062,1229 0.218,1230 1.107,1231 0.82,1232 0.763,1233 1.087,1234 1.03,1235 0.164,1236 1.052,1237 0.395,1238 0.257,1239 0.908,1240 0.765,1241 0.059,1242 0.822,1245 0.464,1246 0.317,1248 0.384,1251 0.381,1252 0.133,1254 0.23,1255 3.135,1257 4.263,1259 5.595,1261 7.02,1263 8.491,1265 1.911,1271 1.607,1272 3.013,1273 5.384,1280 13.897,1281 33.404,1282 67.168,1283 82.92,1284 90.529,1285 93.284,1286 93.284,1287 9.561,1288 4.673,1289 21.26,1290 21.26,1291 6,1292 10.509,1293 2.807,1294 2,1295 19.422,1296 24,1297 25,1298 0.407,1299 91.716,1300 152.87,1301 215.548,1302 425,1304 7.941,1305 0.722,1306 0.61,1307 7.941,1308 6.709,1309 5.432,1310 0.494,1311 0.342,1312 3.695,1313 5.205,1314 3.577,1315 3.04,1316 5.432,1317 3.757,1318 4,1319 0.333,1320 0.189,1321 4,1322 2.265,1323 2.941,1324 0.226,1325 0.105,1326 2.941,1327 1.364,1328 2.159,1329 0.154,1330 0.056,1331 2.159,1332 0.788,1333 1.573,1334 0.105,1335 0.031,1336 1.573,1337 0.471,1338 0.628,1339 34.103,1340 0.369,1341 11.619,1342 1.108,1343 46,1344 136.068,1345 50.598,1346 128.456,1347 171.91,1348 122,1349 48,1350 118.3,1351 52.377,1352 119.612,1353 168.32,1354 112,1355 5.745} {0 CHEMBL136936,1 1.495,2 11.926,3 3.93,4 15.446,5 113.725,6 7.218,7 0.533,8 4.059,9 4.172,10 3.652,11 3.64,12 5.051,13 3.579,14 4.621,15 4.799,16 3.991,17 4.045,18 5.529,19 3.958,20 4.872,21 5.087,22 4.047,23 4.195,24 5.734,25 4.073,26 4.971,27 5.191,28 4.002,29 4.223,30 5.823,31 4.066,32 5.021,33 5.283,34 3.796,35 4.149,36 5.79,37 3.97,38 4.945,39 5.212,40 3.66,41 4.018,42 5.742,43 3.839,44 4.801,45 5.093,46 3.539,47 3.892,48 5.521,49 3.692,50 4.612,51 4.889,52 3.481,53 3.8,54 5.295,55 3.6,56 0.048,57 0.744,58 12.438,59 5.423,60 9.758,61 6.972,62 0.217,63 1.271,64 24.442,65 8.934,66 18.814,67 11.581,68 0.328,69 1.564,70 31.717,71 11.869,72 27.266,73 15.729,74 0.324,75 1.656,76 37.331,77 13.995,78 33.331,79 18.104,80 0.331,81 1.69,82 39.682,83 14.21,84 35.14,85 18.833,86 0.418,87 1.535,88 36.224,89 12.505,90 42.025,91 16.957,92 0.315,93 1.335,94 30.635,95 11.128,96 33.483,97 15.398,98 0.217,99 1.163,100 28.416,101 9.972,102 19.398,103 13.003,104 6,105 41,106 0.249,107 0.552,108 0.716,109 0.839,110 0.864,111 0.864,112 3.339,113 1.039,114 -4.05,115 -4,116 -3.79,119 41.5,121 1,124 1,125 5,127 1,140 8,141 2,142 2,149 1,150 1,169 8,172 3,176 2,178 11,181 2,182 4,186 1,189 8,193 3,195 1,197 2,199 4,203 3,208 2,211 2,214 1,215 4,220 1,222 1,226 4,229 1,233 1,237 3,244 2,249 2,254 1,256 2,259 1065,260 18.784,261 18.784,262 18.784,263 18.784,264 18.784,265 16.924,266 21.755,267 11.148,268 19.388,269 14.741,270 14.741,271 14.741,272 14.741,273 14.741,274 11.944,275 31.201,276 5.166,277 15.637,278 4.232,279 2.418,280 1.433,281 0.693,282 0.543,283 0.543,284 4.041,288 1,289 1,290 708,291 3.082,294 64.154,295 262.785,298 119.832,302 1.866,303 16.314,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57,315 322,316 4.558,317 3.324,318 6.679,319 4.099,320 3.135,321 4.489,322 0.86,323 10.751,324 3.021,325 4.294,326 3.286,327 6.498,328 3.961,329 3.018,330 3.862,331 0.8,332 10.161,333 2.844,334 3.653,335 2.843,336 5.631,337 3.469,338 2.538,339 2.928,340 0.8,341 7.328,342 2.36,343 3.536,344 2.598,345 5.402,346 3.285,347 2.34,348 2.615,349 0.765,350 7.003,351 2.202,352 3.181,353 2.437,354 5.114,355 2.951,356 2.033,357 2.319,359 6.008,360 1.866,361 3.046,362 1.692,363 4.481,364 2.5,365 1.548,366 2.281,368 4.216,369 1.479,370 2.917,371 1.594,372 4.036,373 2.463,374 1.512,375 2.085,377 3.476,378 1.437,379 2.844,380 1.544,381 3.962,382 2.454,383 1.49,384 1.945,386 3.331,387 1.398,388 2.532,389 1.257,390 3.6,391 2.147,392 1.169,393 1.543,395 2.82,396 1.14,397 2.445,398 1.146,399 3.562,400 1.995,401 1.051,402 1.428,404 2.576,405 0.979,406 2,407 1.091,408 3.414,409 1.967,410 1,411 1,413 2.275,414 0.965,415 1.973,416 0.939,417 3.157,418 1.546,419 0.637,420 0.798,422 1.462,423 0.568,424 1.666,425 0.777,426 2.936,427 1.365,428 0.485,429 0.562,431 0.866,432 0.422,433 1.474,434 0.504,435 2.733,436 1.237,437 0.328,438 0.381,440 0.669,441 0.294,442 0.856,443 -0.03,444 2.382,445 0.647,446 -0.299,447 -0.32,449 -0.625,450 -0.28,451 13.3,452 0.493,453 0.5,454 0.019,455 32.25,456 1.194,457 15,458 0.556,459 17.25,460 0.639,461 24.594,462 0.911,463 29.3,464 0.553,465 21.296,466 0.789,467 6.273,468 0.232,469 6.985,470 0.259,471 0.063,473 0.286,479 0.941,480 1.273,481 0.808,482 1.005,483 0.95,484 0.977,485 1.352,486 1.001,487 0.993,488 0.873,489 0.932,490 0.896,491 1.025,492 0.919,493 0.936,494 0.904,495 0.919,496 0.964,497 0.984,498 1.171,499 1.089,500 1.183,501 1.118,502 1.16,503 1.09,504 1.037,505 1.052,506 1.042,507 0.948,508 1.044,509 1.239,510 1.022,511 0.975,512 0.963,513 1.508,514 1.029,515 0.804,516 0.866,517 0.752,518 0.774,519 1.112,520 0.88,521 0.799,522 0.897,523 1.126,524 0.993,525 0.53,526 0.917,527 4,528 0.136,529 3.333,530 1.694,531 1.152,532 0.684,533 0.483,534 0.255,535 0.128,536 0.139,537 10177,538 23884,539 2.142,540 49.1,542 22,543 1,545 1,548 2,550 1.694,551 2.051,552 3.528,553 -0.382,555 1,559 79.261,560 1.495,561 3.31,562 4.294,563 5.034,564 5.185,565 5.185,566 2.94,567 4.607,568 4.731,569 3.721,570 1305.91,571 8.172,572 17479.4,574 1,576 1,577 303.58,578 1.218,579 4.706,580 0.133,581 0.007,582 0.081,583 0.04,584 0.031,585 0.022,586 0.019,587 0.011,588 0.006,589 0.007,590 0.358,591 0.33,592 1,593 0.63,594 136.308,595 -0.018,596 -0.139,597 0.079,598 0.004,599 -0.07,600 0.018,601 -0.182,602 0.125,603 -0.019,604 0.102,605 -0.071,606 0.056,607 -0.01,608 0.131,609 -0.014,610 0.039,611 0.019,612 -0.003,613 0.02,614 -0.183,615 -0.096,616 -0.181,617 -0.012,618 -0.173,619 -0.073,620 -0.084,621 -0.09,622 -0.093,623 -0.021,624 -0.075,625 -0.053,626 -0.094,627 -0.071,628 -0.065,629 -0.136,630 -0.079,631 0.047,632 0.052,633 0.111,634 0.11,635 -0.05,636 0.086,637 -0.043,638 0.097,639 -0.006,640 0.056,641 0.006,642 0.081,643 1.728,644 4.689,645 0.778,646 25.572,647 0.991,648 1.119,649 2.822,650 7.964,651 0.674,652 3.434,653 3.738,654 4.043,655 4.29,656 4.466,657 4.443,658 4.522,659 4.595,660 4.564,661 4.625,662 7.163,663 0.622,664 382.57,665 3.434,666 4.963,667 5.82,668 6.691,669 7.562,670 8.437,671 9.311,672 10.188,673 11.064,674 11.941,675 3.8,678 1,681 1,687 2,688 9,692 1,693 3,695 16,709 1,712 1,714 53,716 16,717 2,718 30,720 56,721 22,722 14,723 4,724 8,730 4,731 5,743 2,745 14,746 8,761 1,764 26,765 4,766 1,767 5,768 1,773 2,777 0.75,778 2,780 1,792 1,793 3,796 1,815 1,817 1,819 3,821 1,823 1,827 27,832 1,833 6,835 1,837 1,838 2,842 1,847 3.8,848 1,852 1,854 13.167,855 9.517,856 6.056,857 3.193,858 2.959,859 1.393,860 0.967,861 5.959,862 10.493,863 3.664,864 4.23,865 4.835,866 5.399,867 5.835,868 5.977,869 6.261,870 6.513,871 6.257,872 6.419,873 0.875,874 42,875 10.025,877 4.221,878 7.5,879 19.805,881 16.591,883 2,884 54,886 1,887 1,888 294.278,889 153.187,890 6.249,892 53.683,894 31.278,895 121.91,896 347.961,897 6.249,898 10.883,899 13.063,900 126.142,902 31.007,903 12.517,904 313.784,906 294.278,907 128.158,908 53.683,909 31.278,911 270.735,912 34.542,913 42.683,915 16.187,916 111.971,918 31.278,919 294.278,920 59.932,921 153.187,924 294.278,925 58.845,926 100.591,928 53.683,929 294.278,930 59.932,931 153.187,933 0.572,934 0.35,935 0.195,936 0.102,937 20,938 8,939 0.107,940 6,941 1,942 1.095,943 4.023,944 226.263,945 0.095,946 21,947 124.382,948 1,951 18.727,952 8.591,953 4.128,954 2.438,955 59.932,956 18.639,960 1.713,961 3.179,963 42.683,964 507.397,965 38,975 52.538,976 59.318,977 0.261,978 0.578,979 0.75,980 0.879,981 0.905,982 0.905,983 4.89,984 1.49,985 5.784,986 3.476,987 4.419,988 4.916,989 1.717,990 6.589,991 4.306,992 6.061,993 1.169,994 7.336,995 3.331,996 3.892,997 4.605,998 0.57,999 7.506,1000 3.712,1001 7.351,1002 1.051,1003 8.994,1004 2.82,1005 5.999,1006 7.096,1007 1.308,1008 10.614,1009 5.788,1010 8.681,1011 1,1012 10.716,1013 2.576,1014 6.365,1015 7.736,1016 0.479,1017 12.407,1018 6.085,1019 10.051,1020 0.637,1021 12.481,1022 2.275,1023 7.883,1024 9.647,1025 1.012,1026 15.015,1027 7.581,1028 11.45,1029 0.485,1030 14.276,1031 1.462,1032 8.658,1033 10.738,1034 0.346,1035 17.144,1036 8.294,1037 12.871,1038 0.328,1039 16.091,1040 0.866,1041 9.937,1042 12.407,1043 0.775,1044 19.59,1045 9.548,1046 3.135,1047 -0.299,1048 17.921,1049 0.669,1050 10.903,1051 13.71,1052 0.237,1053 21.853,1054 10.459,1055 3.018,1056 10.751,1057 19.763,1058 -0.625,1059 12.086,1060 15.274,1061 0.585,1062 24.242,1063 11.612,1064 2.538,1065 10.161,1066 21.614,1067 4.489,1068 13.138,1069 16.677,1070 0.158,1071 26.56,1072 12.616,1073 2.34,1074 7.328,1075 23.472,1076 3.862,1077 14.283,1078 18.197,1079 0.435,1080 28.929,1081 13.728,1082 2.033,1083 7.003,1084 25.335,1085 2.928,1086 15.375,1087 19.646,1088 0.104,1089 31.27,1090 14.776,1091 1.548,1092 6.008,1093 27.203,1094 2.615,1095 16.507,1096 21.149,1097 0.32,1098 33.633,1099 15.871,1100 1.512,1101 4.216,1102 29.074,1103 2.319,1104 17.618,1105 22.621,1106 0.068,1107 35.984,1108 16.941,1109 9506,1110 14664,1111 20.572,1112 35.705,1113 44.77,1114 44.779,1115 45.879,1116 44.556,1117 44.567,1118 56.471,1119 6.449,1120 125.884,1121 41.947,1122 5.558,1123 5.324,1124 6.371,1125 5.186,1126 5.135,1127 7.489,1128 1.72,1129 17.8,1130 5.021,1131 9.571,1132 1.492,1133 1.493,1134 1.529,1135 1.485,1136 1.486,1137 1.882,1138 0.215,1139 4.196,1140 1.398,1141 4.09,1142 4.1,1143 4.323,1144 4.111,1145 6.45,1146 4.06,1147 3.959,1148 3.999,1149 3.899,1150 3.852,1151 4.875,1152 3.856,1153 3.758,1154 3.814,1155 3.651,1156 3.597,1157 4.842,1158 3.6,1159 3.542,1160 3.593,1161 3.453,1162 3.415,1163 4.404,1164 3.405,1165 3.285,1166 3.333,1167 3.382,1168 3.231,1169 4.315,1170 3.17,1171 3.249,1172 3.314,1173 3.063,1174 2.969,1175 4.165,1176 2.979,1177 3.111,1178 3.206,1179 2.99,1180 2.941,1181 3.864,1182 2.91,1183 3.015,1184 3.073,1185 2.866,1186 2.882,1187 3.689,1188 2.848,1189 0.152,1190 0.111,1191 0.223,1192 0.137,1193 0.104,1194 4.558,1195 0.15,1196 3.324,1197 0.029,1198 6.679,1199 0.358,1200 4.099,1201 0.101,1202 3.135,1203 4.489,1204 0.86,1205 10.751,1206 3.021,1207 1.936,1208 1.918,1209 2.051,1210 2.069,1211 1.349,1212 2.067,1213 1.91,1214 1.879,1215 2.015,1216 1.99,1217 1.216,1218 2.004,1219 1.742,1220 1.688,1221 1.923,1222 1.905,1223 1.087,1224 1.916,1225 1.587,1226 1.551,1227 1.774,1228 1.738,1229 1.006,1230 1.76,1231 1.289,1232 1.249,1233 1.573,1234 1.513,1235 0.825,1236 1.533,1237 1.197,1238 1.124,1239 1.513,1240 1.418,1241 0.696,1242 1.457,1243 1.153,1244 1.064,1245 1.439,1246 1.376,1247 0.574,1248 1.429,1249 0.996,1250 0.966,1251 1.183,1252 1.171,1253 0.396,1254 1.203,1255 4.111,1257 5.416,1258 2.398,1259 6.929,1260 4.727,1261 8.53,1262 6.843,1263 10.176,1265 1.727,1270 10.689,1271 5.681,1273 5.493,1275 -0.395,1276 4.835,1280 32.981,1281 79.261,1282 175.441,1283 227.606,1284 266.825,1285 274.825,1286 274.825,1287 38.833,1288 7.534,1289 35.94,1290 64.18,1291 23,1292 12.479,1293 4.087,1294 3.17,1295 40.556,1296 119,1297 92,1298 0.166,1299 204.449,1300 346.63,1301 490.615,1302 21288,1304 18.64,1305 0.69,1306 0.611,1307 18.993,1308 16.491,1309 13.258,1310 0.442,1311 0.346,1312 9.463,1313 12.367,1314 9.154,1315 7.54,1316 13.712,1317 10.385,1318 11.402,1319 0.278,1320 0.193,1321 11.953,1322 7.903,1323 10.139,1324 0.181,1325 0.114,1326 10.828,1327 6.369,1328 8.467,1329 0.118,1330 0.067,1331 9.317,1332 4.828,1333 6.767,1334 0.079,1335 0.039,1336 7.452,1337 3.375,1338 0.268,1339 86.971,1340 0.22,1341 26.392,1342 0.435,1343 142,1344 352.036,1345 173.761,1346 360.311,1347 499.13,1348 342,1349 168,1350 349.148,1351 198.633,1352 370.577,1353 544.43,1354 349,1355 5.577} {0 CHEMBL136962,1 1.208,2 9.65,3 4.622,4 21.365,5 86.269,6 5.622,7 0.286,8 3.921,9 4.066,10 3.243,11 3.428,12 4.741,13 3.344,14 4.535,15 4.763,16 3.498,17 3.819,18 5.241,19 3.69,20 4.806,21 5.082,22 3.482,23 3.931,24 5.444,25 3.751,26 4.807,27 5.098,28 3.462,29 3.894,30 5.454,31 3.717,32 4.751,33 5.011,34 3.389,35 3.889,36 5.434,37 3.7,38 4.806,39 5.116,40 3.153,41 3.791,42 5.389,43 3.558,44 4.568,45 4.883,46 3.003,47 3.596,48 5.121,49 3.365,50 4.428,51 4.739,52 2.952,53 3.484,54 4.998,55 3.277,56 0.064,57 0.654,58 12.483,59 5.125,60 7.382,61 7.367,62 0.168,63 1.058,64 21.803,65 8.191,66 13.696,67 12.057,68 0.205,69 1.246,70 27.045,71 10.304,72 18.146,73 15.061,74 0.283,75 1.2,76 26.876,77 10.057,78 20.651,79 14.639,80 0.194,81 1.169,82 25.744,83 10.172,84 19.451,85 14.532,86 0.232,87 1.127,88 25.861,89 9.763,90 20.158,91 14.206,92 0.14,93 0.932,94 20.221,95 7.793,96 13.932,97 11.554,98 0.14,99 0.826,100 17.781,101 6.601,102 12.15,103 9.919,104 12,105 26,106 0.211,107 0.447,108 0.7,109 0.818,110 0.839,111 0.839,112 3.056,113 1.173,114 -4.86,115 -4.77,116 -4.48,119 36.7,120 1,121 6,122 1,124 1,125 3,140 4,141 1,142 1,169 11,172 5,178 12,182 4,189 8,192 1,193 3,199 10,203 2,211 10,215 3,222 5,226 4,233 2,237 3,244 2,249 2,256 5,259 556,260 13.82,261 13.82,262 13.82,263 13.82,264 13.82,265 13.093,266 15.274,267 8.759,268 14.065,269 10.363,270 10.363,271 10.363,272 10.363,273 10.363,274 9.282,275 16.665,276 4.087,277 10.752,278 4.407,279 3.053,280 1.603,281 0.929,282 0.806,283 0.806,284 3.719,288 1,289 1,290 400,291 3.24,294 51.44,295 72.405,302 1.42,303 7.987,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 41.5,315 193,316 4.297,317 3.288,318 6.501,319 4.001,320 3.018,321 3.864,322 0.86,323 10.18,324 2.968,325 3.406,326 2.711,327 5.251,328 3.299,329 2.376,330 2.507,331 0.8,332 6.414,333 2.208,334 3.364,335 2.548,336 5.028,337 3.23,338 2.263,339 2.372,341 6.063,342 2.17,343 2.946,344 1.889,345 4.156,346 2.594,347 1.649,348 2.11,350 3.795,351 1.547,352 2.71,353 1.479,354 3.653,355 2.414,356 1.414,357 1.762,359 3.067,360 1.414,361 2.465,362 1.428,363 3.534,364 2.313,365 1.331,366 1.463,368 2.817,369 1.303,370 2.046,371 1.125,372 3.231,373 1.97,374 1,375 1.032,377 1.911,378 0.966,379 1.948,380 0.832,381 3.062,382 1.81,383 0.812,384 0.91,386 1.703,387 0.81,388 1.618,389 0.628,390 3,391 1.618,392 0.618,393 0.618,395 1.372,396 0.618,397 1.449,398 0.618,399 2.586,400 1.291,401 0.368,402 0.39,404 0.753,405 0.337,406 0.858,407 -0.054,408 2.196,409 0.623,410 -0.332,411 -0.366,413 -0.693,414 -0.313,415 0.603,416 -0.378,417 2,418 0.369,419 -0.59,420 -0.602,422 -0.995,423 -0.561,424 0.43,425 -0.594,426 1.879,427 0.188,428 -0.794,429 -0.936,431 -1.886,432 -0.775,433 0.181,434 -0.787,435 1.376,436 -0.051,437 -1,438 -1.238,440 -2.298,441 -0.945,442 -0.28,443 -1.261,444 1.252,445 -0.414,446 -1.414,447 -1.564,449 -3.136,450 -1.395,451 9.733,452 0.487,453 0.277,454 0.014,455 18.25,456 0.913,457 6.5,458 0.325,459 11.75,460 0.588,461 20.062,462 1.003,463 23.867,464 0.487,465 9.83,466 0.492,467 2.999,468 0.15,469 6.81,470 0.34,471 0.103,473 0.195,479 0.927,480 1.496,481 1.115,482 1.36,483 0.965,484 1.265,485 1.46,486 1.123,487 1.171,488 1.101,489 1.078,490 1.104,491 1.24,492 1.071,493 1.051,494 1.065,495 1.043,496 1.047,497 1.408,498 0.82,499 0.96,500 0.857,501 1.273,502 0.874,503 1.415,504 1.192,505 1.178,506 1.219,507 1.532,508 1.195,509 1.568,510 0.908,511 1.03,512 0.907,513 1.507,514 0.937,515 0.799,516 1.024,517 0.928,518 0.979,519 0.777,520 0.966,521 1.064,522 0.917,523 0.935,524 0.854,525 0.942,526 0.879,527 2.5,528 0.061,529 1.778,530 0.903,531 0.422,532 0.289,533 0.181,534 0.147,535 0.134,536 0.097,537 3878,538 6001,539 2.024,540 59.2,541 12,542 13,547 2,548 2,550 1.614,551 1.935,552 3.24,553 -0.886,559 59.181,560 1.208,561 2.562,562 4.012,563 4.686,564 4.808,565 4.808,566 2.666,567 3.884,568 4.291,569 3.4,570 645.965,571 7.314,572 6933.95,574 1,577 275.121,578 1.157,579 4.273,580 0.119,581 0.006,582 0.068,583 0.038,584 0.018,585 0.014,586 0.011,587 0.01,588 0.01,589 0.007,590 0.301,591 0.67,592 1,593 2.061,594 90.606,595 0.08,596 -0.168,597 0.059,598 -0.08,599 0.081,600 -0.023,601 -0.101,602 0.041,603 -0.062,604 -0.018,605 0.015,606 -0.03,607 -0.023,608 -0.053,609 -0.029,610 -0.061,611 0.047,612 -0.046,613 0.048,614 0.157,615 0.061,616 0.107,617 0.011,618 0.09,619 -0.062,620 -0.18,621 -0.144,622 -0.179,623 -0.169,624 -0.17,625 -0.129,626 -0.007,627 -0.049,628 0.024,629 -0.182,630 -0.007,631 0.018,632 -0.083,633 0.018,634 -0.031,635 0.062,636 -0.012,637 -0.063,638 0.05,639 0.037,640 0.084,641 -0.022,642 0.068,643 0.669,644 2.551,645 0.55,646 16.02,647 0.976,648 1.133,649 3.635,650 13.211,651 0.615,652 3.091,653 3.296,654 3.497,655 3.689,656 3.714,657 3.689,658 3.714,659 3.664,660 3.611,661 3.497,662 5.783,663 0.553,664 275.48,665 3.091,666 4.554,667 5.352,668 6.176,669 6.997,670 7.832,671 8.664,672 9.506,673 10.344,674 11.19,675 2,678 1,688 4,693 2,695 6,712 1,714 49,716 6,717 1,718 21,720 50,721 18,722 6,723 2,724 4,730 2,731 2,736 1,740 4,741 1,743 6,745 6,746 12,747 1,761 1,764 29,765 2,767 2,773 1,777 1,778 1,792 1,793 1,815 1,819 2,823 2,827 20,833 9,835 1,837 1,838 1,847 2,852 1,854 10.333,855 9.033,856 4.722,857 3.504,858 1.27,859 1.207,860 0.921,861 6.549,862 7.416,863 3.219,864 3.597,865 4.021,866 4.453,867 4.821,868 4.779,869 4.94,870 4.997,871 5.027,872 4.995,873 1,874 24,875 7.46,877 2.942,878 7.283,879 15.248,881 12.363,883 1.783,884 35.667,885 0.004,887 1,888 341.362,889 87.567,890 3.124,892 11,895 87.567,896 352.362,897 3.124,898 17.222,899 24.011,900 37.905,902 22.553,904 341.362,906 341.362,907 90.691,908 11,911 294.278,912 58.084,915 35.961,916 54.73,919 341.362,920 14.124,921 87.567,924 341.362,925 32.44,926 58.251,928 11,929 341.362,930 14.124,931 87.567,933 0.543,934 0.311,935 0.172,936 0.077,937 10,938 4,939 0.16,940 8,942 1,943 3.36,944 133.624,946 11,947 82.439,951 15.53,952 8.434,953 4.891,955 14.124,956 8.643,961 2.56,964 443.053,965 24,975 47.8,976 55.521,977 0.215,978 0.456,979 0.715,980 0.835,981 0.856,982 0.856,983 4.401,984 0.812,985 5.263,986 1.911,987 3.97,988 4.277,989 1.235,990 5.969,991 3.903,992 5.482,993 0.618,994 6.746,995 1.703,996 3.219,997 3.689,998 0.325,999 6.72,1000 3.099,1001 6.705,1002 0.368,1003 8.343,1004 1.372,1005 5.434,1006 6.191,1007 0.938,1008 9.833,1009 5.306,1010 7.97,1011 -0.332,1012 10.015,1013 0.753,1014 5.638,1015 6.572,1016 0.268,1017 11.555,1018 5.48,1019 9.281,1020 -0.59,1021 11.738,1022 -0.693,1023 7.203,1024 8.497,1025 0.732,1026 14.142,1027 7.034,1028 10.623,1029 -0.794,1030 13.499,1031 -0.995,1032 7.871,1033 9.341,1034 0.188,1035 16.23,1036 7.687,1037 11.99,1038 -1,1039 15.286,1040 -1.886,1041 9.159,1042 11.01,1043 0.57,1044 18.65,1045 8.965,1046 3.018,1047 -1.414,1048 17.092,1049 -2.298,1050 10.054,1051 12.085,1052 0.125,1053 20.879,1054 9.851,1055 2.376,1056 10.18,1057 18.913,1058 -3.136,1059 11.227,1060 13.621,1061 0.438,1062 23.239,1063 11.013,1064 2.263,1065 6.414,1066 20.744,1067 3.864,1068 12.23,1069 14.817,1070 0.082,1071 25.522,1072 12.008,1073 1.649,1074 6.063,1075 22.585,1076 2.507,1077 13.357,1078 16.278,1079 0.334,1080 27.859,1081 13.123,1082 1.414,1083 3.795,1084 24.432,1085 2.372,1086 14.413,1087 17.539,1088 0.054,1089 30.164,1090 14.168,1091 1.331,1092 3.067,1093 26.284,1094 2.11,1095 15.522,1096 18.957,1097 0.252,1098 32.492,1099 15.266,1100 1,1101 2.817,1102 28.14,1103 1.762,1104 16.602,1105 20.255,1106 0.035,1107 34.806,1108 16.333,1109 3953,1110 4994,1111 14.099,1112 30.12,1113 29.641,1114 29.662,1115 30.479,1116 29.746,1117 29.697,1118 34.054,1119 3.32,1120 76.152,1121 28.681,1122 5.238,1123 5.288,1124 6.28,1125 5.06,1126 5.018,1127 6.864,1128 1.72,1129 16.932,1130 4.968,1131 8.157,1132 1.411,1133 1.412,1134 1.451,1135 1.416,1136 1.414,1137 1.622,1138 0.158,1139 3.626,1140 1.366,1141 3.998,1142 4.031,1143 3.92,1144 3.924,1145 4.843,1146 3.918,1147 3.764,1148 3.839,1149 3.618,1150 3.626,1151 4.383,1152 3.612,1153 3.717,1154 3.768,1155 3.583,1156 3.57,1157 4.272,1158 3.565,1159 3.503,1160 3.577,1161 3.311,1162 3.344,1163 4.211,1164 3.324,1165 3.245,1166 3.34,1167 3.03,1168 3,1169 3.951,1170 2.993,1171 2.966,1172 3.036,1173 2.802,1174 2.845,1175 3.631,1176 2.826,1177 2.905,1178 2.979,1179 2.731,1180 2.732,1181 3.592,1182 2.725,1183 2.869,1184 2.974,1185 2.583,1186 2.671,1187 3.288,1188 2.635,1189 0.205,1190 0.157,1191 0.31,1192 0.191,1193 0.144,1194 4.297,1195 0.184,1196 3.288,1197 0.041,1198 6.501,1199 0.485,1200 4.001,1201 0.141,1202 3.018,1203 3.864,1204 0.86,1205 10.18,1206 2.968,1207 1.924,1208 1.902,1209 2.042,1210 2.019,1211 1.319,1212 2.027,1213 1.725,1214 1.651,1215 1.975,1216 1.938,1217 1.262,1218 1.955,1219 1.577,1220 1.507,1221 1.86,1222 1.751,1223 1.211,1224 1.793,1225 1.529,1226 1.46,1227 1.829,1228 1.73,1229 1.105,1230 1.768,1231 1.49,1232 1.43,1233 1.735,1234 1.64,1235 0.934,1236 1.676,1237 1.237,1238 1.139,1239 1.602,1240 1.516,1241 0.715,1242 1.55,1243 0.893,1244 0.833,1245 1.296,1246 1.167,1247 0.431,1248 1.209,1249 0.815,1250 0.722,1251 1.209,1252 1.094,1253 0.397,1254 1.144,1255 3.761,1257 4.99,1258 2.398,1259 6.409,1260 4.443,1261 7.924,1262 6.293,1263 9.497,1265 4.417,1271 10.883,1273 6.051,1275 0.731,1276 2.381,1280 27.111,1281 59.181,1282 125.515,1283 196.591,1284 229.611,1285 235.611,1286 235.611,1287 30.293,1288 6.146,1289 12.47,1290 12.47,1291 11,1292 11.753,1293 2.807,1294 2,1295 36.599,1296 67,1297 78,1298 0.261,1299 170.654,1300 296.21,1301 408.156,1302 3333,1304 14.209,1305 0.71,1306 0.655,1307 14.209,1308 13.106,1309 9.809,1310 0.467,1311 0.391,1312 8.142,1313 9.562,1314 7.885,1315 6.64,1316 9.809,1317 8.212,1318 7.931,1319 0.305,1320 0.232,1321 7.931,1322 6.024,1323 6.277,1324 0.196,1325 0.133,1326 6.277,1327 4.261,1328 5.137,1329 0.132,1330 0.082,1331 5.137,1332 3.196,1333 3.384,1334 0.085,1335 0.041,1336 3.384,1337 1.633,1338 0.414,1339 60.458,1340 0.266,1341 20.381,1342 0.695,1343 94,1344 191.381,1345 99.291,1346 184.595,1347 255.82,1348 176,1349 105,1350 185.215,1351 110.819,1352 189.171,1353 273.55,1354 178,1355 6.845} {0 CHEMBL137781,1 1.382,2 8.12,3 2.543,4 6.467,5 100.97,6 6.71,7 0.345,8 4.013,9 4.144,10 3.52,11 3.579,12 4.944,13 3.535,14 4.614,15 4.81,16 3.923,17 4.036,18 5.462,19 3.969,20 4.904,21 5.12,22 4.028,23 4.234,24 5.766,25 4.139,26 5.035,27 5.271,28 4.018,29 4.274,30 5.94,31 4.154,32 5.018,33 5.263,34 3.859,35 4.201,36 5.893,37 4.056,38 4.965,39 5.238,40 3.727,41 4.079,42 5.779,43 3.923,44 4.852,45 5.146,46 3.543,47 3.924,48 5.628,49 3.767,50 4.6,51 4.851,52 3.372,53 3.793,54 5.442,55 3.616,56 0.048,57 0.752,58 11.698,59 4.794,60 7.951,61 6.811,62 0.207,63 1.294,64 22.37,65 8.241,66 16.205,67 12.085,68 0.231,69 1.64,70 30.316,71 11.206,72 25.093,73 16.243,74 0.362,75 1.756,76 35.199,77 13.161,78 44.576,79 18.764,80 0.326,81 1.684,82 34.785,83 12.983,84 49.192,85 18.475,86 0.287,87 1.585,88 33.255,89 11.686,90 39.369,91 17.255,92 0.321,93 1.388,94 30.122,95 9.924,96 35.849,97 14.889,98 0.205,99 1.1,100 22.513,101 9.097,102 29.429,103 12.97,104 17,105 45,106 0.233,107 0.611,108 0.827,109 0.843,110 0.843,111 0.843,112 3.269,113 0.97,114 -3.78,115 -3.75,116 -3.56,119 42,120 2,121 2,122 1,124 1,125 1,127 3,134 1,135 1,140 3,141 3,149 1,150 1,156 1,169 9,171 1,172 8,176 3,178 13,182 5,186 3,189 11,192 2,193 7,197 2,199 13,203 3,206 1,208 1,211 7,215 10,220 1,222 4,226 4,233 3,237 2,240 2,244 9,256 6,259 765,260 16.878,261 16.878,262 16.878,263 16.878,264 16.878,265 15.478,266 22.422,267 9.385,268 17.125,269 14.289,270 14.289,271 14.289,272 14.289,273 14.289,274 12.002,275 34.066,276 4.419,277 14.672,278 4.262,279 2.022,280 0.74,281 0.645,282 0.645,283 0.645,284 3.976,287 1,288 1,289 1,290 462,291 2.915,293 47.979,294 38.643,295 125.725,298 132.42,299 140.277,300 81.288,302 1.254,303 17.72,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 52.5,315 203,316 4.718,317 3.923,318 7.026,319 4.345,320 3.359,321 4.634,322 2.015,323 12.06,324 3.316,325 4.327,326 3.52,327 6.839,328 4.172,329 3.211,330 3.57,331 0.916,332 11.201,333 3.085,334 4.09,335 3.075,336 6.409,337 3.823,338 2.858,339 3.325,340 0.625,341 9.788,342 2.758,343 3.568,344 2.936,345 5.789,346 3.393,347 2.394,348 2.83,349 0.172,350 7.743,351 2.383,352 3.52,353 2.449,354 5.636,355 3.255,356 2.278,357 2.688,358 0.111,359 7.294,360 2.226,361 3.294,362 2.202,363 5.105,364 2.918,365 1.945,366 2.458,368 5.876,369 1.886,370 2.92,371 2.064,372 4.638,373 2.441,374 1.475,375 1.984,377 4.407,378 1.421,379 2.668,380 1.643,381 4.437,382 2.39,383 1.414,384 1.727,386 3.865,387 1.377,388 2.516,389 1.524,390 4.414,391 2.348,392 1.343,393 1.462,395 3.717,396 1.342,397 2.414,398 1.28,399 3.861,400 2.185,401 1.188,402 1.414,404 2.885,405 1.182,406 2.241,407 0.905,408 3.637,409 1.793,410 0.846,411 1.14,413 2.141,414 0.799,415 1.556,416 0.855,417 3.368,418 1.283,419 0.298,420 0.357,422 0.881,423 0.292,424 1.422,425 0.336,426 3.039,427 1.092,428 0.077,429 0.094,431 0.207,432 0.077,433 0.945,434 -0.095,435 2.778,436 0.608,437 -0.374,438 -0.42,440 -1.038,441 -0.365,442 0.769,443 -0.164,444 2.59,445 0.466,446 -0.51,447 -0.588,449 -1.429,450 -0.495,451 12.033,452 0.481,453 0.802,454 0.032,455 27.75,456 1.11,457 11,458 0.44,459 16.75,460 0.67,461 25.536,462 1.021,463 26.967,464 0.539,465 18.877,466 0.755,467 4.983,468 0.199,469 7.059,470 0.282,471 0.152,473 0.482,479 0.769,480 1.359,481 0.859,482 1.096,483 0.579,484 0.999,485 0.886,486 1.045,487 0.882,488 0.891,489 0.541,490 0.875,491 1.13,492 1.074,493 1.037,494 1.03,495 0.925,496 1.017,497 1.18,498 1.008,499 1.019,500 1.027,501 1.421,502 1.017,503 1.327,504 1.096,505 1.118,506 1.111,507 1.692,508 1.11,509 1.17,510 1.071,511 1.031,512 1.025,513 1.2,514 1.017,515 1.354,516 0.77,517 1.013,518 0.795,519 1.12,520 0.85,521 0.633,522 1.131,523 1.086,524 1.261,525 0.852,526 1.233,527 5,528 0.069,529 3.444,530 2.847,531 1.986,532 0.851,533 0.627,534 0.43,535 0.234,536 0.171,537 6866,538 13098,539 2.175,540 50,542 12,543 1,545 1,546 1,547 8,548 2,550 1.685,551 2,552 3.046,553 -0.396,554 1,555 1,559 69.103,560 1.382,561 3.622,562 4.903,563 4.999,564 4.999,565 4.999,566 2.44,567 4.324,568 4.619,569 3.196,570 958.856,571 8.013,572 10978,574 1,576 1,577 282.193,578 1.462,579 4.564,580 0.172,581 0.008,582 0.08,583 0.062,584 0.045,585 0.024,586 0.02,587 0.017,588 0.011,589 0.011,590 0.45,591 0.67,592 0.88,593 0.609,594 116.996,595 0.014,596 -0.15,597 0.086,598 -0.014,599 -0.027,600 0.032,601 0.046,602 0.099,603 0.092,604 0.12,605 0.037,606 0.114,607 -0.1,608 0.005,609 -0.058,610 -0.029,611 -0.028,612 -0.034,613 0.024,614 -0.011,615 -0.028,616 -0.032,617 -0.005,618 -0.036,619 -0.087,620 -0.131,621 -0.126,622 -0.121,623 -0.137,624 -0.131,625 -0.066,626 -0.112,627 -0.038,628 -0.069,629 -0.067,630 -0.054,631 -0.151,632 0.192,633 -0.002,634 0.127,635 -0.012,636 0.091,637 0.17,638 -0.184,639 -0.133,640 -0.246,641 0.106,642 -0.226,643 1.365,644 6.108,645 0.8,646 17.344,647 0.987,648 1.125,649 2.553,650 6.518,651 0.657,652 3.401,653 3.829,654 4.22,655 4.554,656 4.804,657 5.004,658 5.257,659 5.464,660 5.617,661 5.71,662 5.186,663 0.611,664 335.49,665 3.401,666 5.004,667 5.922,668 6.862,669 7.791,670 8.733,671 9.667,672 10.609,673 11.545,674 12.488,675 6,678 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 50,715 1,716 12,717 1,718 29,720 54,721 21,722 8,723 3,724 3,725 2,730 5,731 13,736 2,740 5,741 1,743 5,745 11,746 10,747 1,750 2,755 1,757 1,759 2,760 1,761 1,764 25,765 3,766 1,767 4,773 3,777 0.4,778 1,788 1,791 1,792 1,793 3,796 2,797 2,798 1,806 1,810 1,811 1,815 1,819 2,823 3,827 25,833 3,837 4,838 2,847 2,850 1,854 12.5,855 9.817,856 5.194,857 3.279,858 2.545,859 1.312,860 1.014,861 3.335,862 10.696,863 3.611,864 4.238,865 4.882,866 5.504,867 6.011,868 6.427,869 6.91,870 7.353,871 7.613,872 7.95,873 1,874 46,875 9.347,877 4.202,878 7.473,879 18.643,881 16.923,883 1.973,884 49.333,887 1,888 282.506,889 99.152,890 23.034,892 25.145,895 99.152,896 307.651,897 23.034,898 26.047,899 10.299,900 46.952,901 29.85,902 32.04,903 13.915,904 270.735,906 282.506,907 122.187,908 25.145,911 164.795,912 142.856,915 47.859,916 64.851,917 9.476,919 282.506,920 48.179,921 99.152,924 282.506,925 26.153,926 79.248,927 16.786,928 25.145,929 282.506,930 48.179,931 99.152,933 0.609,934 0.382,935 0.215,936 0.108,937 27,938 12,939 0.019,940 1,941 4,942 1.35,943 3.609,944 235.951,945 0.4,946 19,947 112.096,951 15.51,952 5.376,953 2.145,954 2.546,955 31.394,956 8.626,958 3.406,961 2.702,963 16.786,964 429.838,965 36,970 13.108,972 2.273,974 1.64,975 49.352,976 56.272,977 0.245,978 0.642,979 0.869,980 0.886,981 0.886,982 0.886,983 4.931,984 1.414,985 5.958,986 4.407,987 4.511,988 4.924,989 2.314,990 6.887,991 4.462,992 6.152,993 1.343,994 7.591,995 3.865,996 4.29,997 4.856,998 1.738,999 7.974,1000 4.217,1001 7.494,1002 1.188,1003 9.322,1004 3.717,1005 6.236,1006 7.135,1007 3.192,1008 11.166,1009 6.138,1010 8.869,1011 0.846,1012 11.109,1013 2.885,1014 6.825,1015 7.931,1016 3.273,1017 13.065,1018 6.7,1019 10.279,1020 0.298,1021 12.932,1022 2.141,1023 8.274,1024 9.723,1025 4.394,1026 15.774,1027 8.126,1028 11.713,1029 0.077,1030 14.779,1031 0.881,1032 9.209,1033 10.92,1034 4.768,1035 18.002,1036 9.036,1037 13.165,1038 -0.374,1039 16.644,1040 0.207,1041 10.481,1042 12.537,1043 5.706,1044 20.547,1045 10.287,1046 3.359,1047 -0.51,1048 18.523,1049 -1.038,1050 11.562,1051 13.919,1052 6.226,1053 22.91,1054 11.347,1055 3.211,1056 12.06,1057 20.411,1058 -1.429,1059 12.773,1060 15.475,1061 7.061,1062 25.399,1063 12.538,1064 2.858,1065 11.201,1066 22.308,1067 4.634,1068 13.915,1069 16.94,1070 7.661,1071 27.82,1072 13.661,1073 2.394,1074 9.788,1075 24.211,1076 3.57,1077 15.108,1078 18.476,1079 8.437,1080 30.292,1081 14.836,1082 2.278,1083 7.743,1084 26.119,1085 3.325,1086 16.277,1087 19.978,1088 9.08,1089 32.739,1090 15.987,1091 1.945,1092 7.294,1093 28.032,1094 2.83,1095 17.465,1096 21.509,1097 9.824,1098 35.206,1099 17.16,1100 1.475,1101 5.876,1102 29.948,1103 2.688,1104 18.647,1105 23.028,1106 10.492,1107 37.666,1108 18.325,1109 6333,1110 8840,1111 19.422,1112 32.847,1113 46.234,1114 46.684,1115 47.832,1116 45.416,1117 45.373,1118 55.366,1119 7.679,1120 144.129,1121 44.29,1122 5.718,1123 5.923,1124 6.552,1125 5.398,1126 5.359,1127 7.634,1128 3.529,1129 19.72,1130 5.316,1131 12.258,1132 1.594,1133 1.61,1134 1.649,1135 1.566,1136 1.565,1137 1.909,1138 0.265,1139 4.97,1140 1.527,1141 4.186,1142 4.217,1143 4.146,1144 4.115,1145 7.427,1146 4.119,1147 3.944,1148 3.997,1149 3.864,1150 3.79,1151 4.975,1152 3.8,1153 3.767,1154 3.826,1155 3.67,1156 3.633,1157 4.45,1158 3.634,1159 3.448,1160 3.498,1161 3.345,1162 3.348,1163 4.358,1164 3.341,1165 3.298,1166 3.351,1167 3.2,1168 3.124,1169 4.274,1170 3.134,1171 3.221,1172 3.304,1173 3.058,1174 3.024,1175 3.925,1176 3.021,1177 3.201,1178 3.304,1179 2.932,1180 3.015,1181 3.79,1182 2.981,1183 2.868,1184 2.946,1185 2.724,1186 2.656,1187 3.715,1188 2.652,1189 0.163,1190 0.135,1191 0.242,1192 0.15,1193 0.116,1194 4.718,1195 0.16,1196 3.923,1197 0.069,1198 7.026,1199 0.416,1200 4.345,1201 0.114,1202 3.359,1203 4.634,1204 2.015,1205 12.06,1206 3.316,1207 2.045,1208 2.024,1209 2.134,1210 2.133,1211 1.449,1212 2.135,1213 1.883,1214 1.831,1215 2.059,1216 2.048,1217 1.395,1218 2.054,1219 1.739,1220 1.69,1221 1.895,1222 1.905,1223 1.108,1224 1.906,1225 1.537,1226 1.488,1227 1.717,1228 1.711,1229 0.945,1230 1.717,1231 1.258,1232 1.177,1233 1.632,1234 1.508,1235 0.764,1236 1.542,1237 1.247,1238 1.149,1239 1.566,1240 1.486,1241 0.658,1242 1.527,1243 1.101,1244 1.021,1245 1.37,1246 1.338,1247 0.475,1248 1.362,1249 1.025,1250 0.993,1251 1.303,1252 1.188,1253 0.427,1254 1.216,1255 4.078,1257 5.509,1258 2.398,1259 7.143,1260 4.727,1261 8.864,1262 6.862,1263 10.629,1265 6.486,1271 2.967,1275 1.117,1276 4.461,1280 30.574,1281 69.103,1282 181.118,1283 245.173,1284 249.928,1285 249.928,1286 249.928,1287 36.439,1288 8.151,1289 39.34,1290 39.34,1291 27,1292 12.983,1293 3.7,1294 3,1295 31.941,1296 79,1297 68,1298 0.206,1299 182.057,1300 314.21,1301 435.98,1302 37538,1304 17.292,1305 0.692,1306 0.605,1307 17.292,1308 15.12,1309 12.042,1310 0.415,1311 0.323,1312 9.287,1313 11.71,1314 8.967,1315 7.385,1316 12.042,1317 9.378,1318 11.669,1319 0.259,1320 0.18,1321 11.669,1322 8.109,1323 10.667,1324 0.159,1325 0.097,1326 10.667,1327 6.472,1328 9.67,1329 0.103,1330 0.055,1331 9.67,1332 5.143,1333 7.45,1334 0.062,1335 0.028,1336 7.45,1337 3.411,1338 0.31,1339 74.441,1340 0.227,1341 23.474,1342 0.606,1343 148,1344 315.359,1345 157.097,1346 311.213,1347 444.53,1348 294,1349 186,1350 344.242,1351 196.319,1352 351.677,1353 527.8,1354 333,1355 8.432} {0 CHEMBL138462,1 1.354,2 8.5,3 2.775,4 7.7,5 84.496,6 6.438,7 0.455,8 3.814,9 3.946,10 3.278,11 3.333,12 4.748,13 3.287,14 4.393,15 4.602,16 3.585,17 3.73,18 5.241,19 3.663,20 4.566,21 4.785,22 3.557,23 3.893,24 5.362,25 3.762,26 4.679,27 4.951,28 3.445,29 3.876,30 5.373,31 3.698,32 4.606,33 4.898,34 3.389,35 3.74,36 5.301,37 3.583,38 4.442,39 4.688,40 3.348,41 3.674,42 5.216,43 3.537,44 4.413,45 4.663,46 3.134,47 3.602,48 5.154,49 3.42,50 4.332,51 4.627,52 2.837,53 3.375,54 4.983,55 3.155,56 0.044,57 0.598,58 10.12,59 4.008,60 6.556,61 5.732,62 0.206,63 0.974,64 18.795,65 6.256,66 15.753,67 9.238,68 0.19,69 1.134,70 21.822,71 8.632,72 17.393,73 12.343,74 0.126,75 1.195,76 24.143,77 9.675,78 18.334,79 14.222,80 0.177,81 1.092,82 22.832,83 8.142,84 19.486,85 12.308,86 0.151,87 0.956,88 19.351,89 7.222,90 16.986,91 10.55,92 0.183,93 0.912,94 18.748,95 7.155,96 16.303,97 10.464,98 0.105,99 0.769,100 17.178,101 6.638,102 14.344,103 9.692,104 8,105 30,106 0.24,107 0.569,108 0.789,109 0.839,110 0.839,111 0.839,112 3.058,113 0.988,114 -3.35,115 -3.33,116 -3.19,119 40.5,121 1,124 2,125 4,134 1,135 1,140 4,141 2,149 1,150 1,169 8,172 5,178 10,181 1,182 3,189 9,193 3,199 4,203 7,211 3,215 3,222 2,225 1,226 3,237 3,259 488,260 13.637,261 13.637,262 13.637,263 13.637,264 13.637,265 12.287,266 13.473,267 8.216,268 14.014,269 10.886,270 10.886,271 10.886,272 10.886,273 10.886,274 8.769,275 12.071,276 3.936,277 11.441,278 4.038,279 2.179,280 0.941,281 0.655,282 0.655,283 0.655,284 3.74,287 1,288 1,289 1,290 363,291 2.739,294 42.246,295 105.869,298 74.793,302 1.35,303 8.143,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 42,315 170,316 4.568,317 3.174,318 6.566,319 4.09,320 3.118,321 4.515,322 1.151,323 10.432,324 3.037,325 4.1,326 2.947,327 6.092,328 3.727,329 2.743,330 3.549,331 0.8,332 8.876,333 2.696,334 3.432,335 2.574,336 5.144,337 3.17,338 2.244,339 2.74,341 6.077,342 2.078,343 3.165,344 2.337,345 4.625,346 2.887,347 1.949,348 2.337,350 5.024,351 1.821,352 3.13,353 2.033,354 4.497,355 2.744,356 1.795,357 2.182,359 4.617,360 1.704,361 2.705,362 1.575,363 4.106,364 2.262,365 1.307,366 1.787,368 3.417,369 1.244,370 2.413,371 1.459,372 3.511,373 2.068,374 1.133,375 1.368,377 2.684,378 1.046,379 2.181,380 1.261,381 3.269,382 1.969,383 1,384 1.066,386 2.136,387 0.963,388 2.038,389 0.864,390 3.247,391 1.759,392 0.787,393 1.002,395 1.826,396 0.763,397 1.573,398 0.442,399 2.879,400 1.333,401 0.365,402 0.434,404 0.85,405 0.352,406 0.877,407 -0.214,408 2.534,409 0.545,410 -0.427,411 -0.498,413 -1.048,414 -0.413,415 0.625,416 -0.355,417 2.161,418 0.164,419 -0.796,420 -0.893,422 -1.926,423 -0.756,424 0.31,425 -0.553,426 2,427 0.106,428 -0.872,429 -1,431 -2,432 -0.854,433 0.249,434 -0.6,435 1.858,436 -0.095,437 -1,438 -1.112,440 -2.347,441 -0.884,442 0.101,443 -0.818,444 1.555,445 -0.1,446 -1,447 -1.24,449 -2.615,450 -0.9,451 9.633,452 0.482,453 0.435,454 0.022,455 22.5,456 1.125,457 9.5,458 0.475,459 13,460 0.65,461 15.986,462 0.799,463 22.167,464 0.528,465 14.593,466 0.73,467 4.613,468 0.231,469 5.124,470 0.256,471 0.104,473 0.291,479 0.923,480 1.505,481 0.916,482 1.238,483 0.946,484 1.1,485 1.788,486 0.857,487 1.05,488 0.754,489 1.246,490 0.809,491 0.996,492 1.028,493 1.15,494 1.101,495 1.062,496 1.135,497 0.408,498 1.139,499 0.925,500 1.117,501 0.702,502 1.078,503 0.756,504 0.9,505 0.847,506 0.855,507 0.681,508 0.848,509 1.05,510 1.069,511 1.045,512 1.054,513 1.016,514 1.048,515 0.804,516 1.187,517 1.219,518 1.269,519 1.108,520 1.28,521 0.65,522 1.127,523 0.974,524 1.184,525 0.764,526 1.124,527 3.5,528 0.037,529 2.222,530 0.917,531 0.644,532 0.649,533 0.424,534 0.135,535 0.133,536 0.066,537 3755,538 7580,539 2.107,540 52.4,542 19,543 1,547 2,550 1.619,551 2,552 3.098,553 -0.836,555 1,557 1,559 56.883,560 1.354,561 3.214,562 4.452,563 4.737,564 4.737,565 4.737,566 2.528,567 3.922,568 4.289,569 3.215,570 610.849,571 7.335,572 6190.9,573 1,574 1,576 1,577 226.477,578 1.295,579 4.266,580 0.159,581 0.007,582 0.074,583 0.033,584 0.027,585 0.028,586 0.019,587 0.008,588 0.012,589 0.009,590 0.378,591 0.83,592 1,593 1.197,594 88.265,595 0.064,596 -0.285,597 0.089,598 -0.122,599 0.003,600 -0.033,601 -0.257,602 0.284,604 0.229,605 -0.08,606 0.157,607 -0.101,608 0.045,609 -0.176,610 -0.062,611 -0.149,612 -0.118,613 0.065,614 -0.172,615 0.003,616 -0.106,617 0.003,618 -0.066,619 0.014,620 0.074,621 0.117,622 0.094,623 0.118,624 0.116,625 -0.076,626 -0.049,627 -0.066,628 -0.055,629 -0.039,630 -0.058,631 0.035,632 -0.18,633 -0.258,634 -0.271,635 -0.192,636 -0.289,637 0.086,638 -0.239,639 -0.033,640 -0.213,641 0.121,642 -0.145,643 0.755,644 1.895,645 0.75,646 15.24,647 0.985,648 1.128,649 2.117,650 4.482,651 0.645,652 3.135,653 3.434,654 3.689,655 3.951,656 4.174,657 4.248,658 4.394,659 4.489,660 4.431,661 4.419,662 5.1,663 0.596,664 270.41,665 3.135,666 4.654,667 5.493,668 6.361,669 7.226,670 8.104,671 8.981,672 9.865,673 10.748,674 11.635,675 4.8,678 1,683 1,687 2,688 5,693 1,694 1,695 10,714 42,716 11,717 1,718 22,720 44,721 17,722 8,723 3,724 3,725 2,730 3,731 4,740 1,743 1,745 10,746 7,750 1,757 1,759 1,760 1,761 1,764 22,765 2,767 3,773 2,777 0.667,778 1,788 1,792 1,793 2,796 1,810 1,811 1,815 1,818 1,819 2,823 2,827 20,833 5,835 1,838 1,847 2.4,851 1,854 10,855 8.067,856 4.417,857 2.522,858 2.342,859 1.347,860 0.983,861 4.014,862 9.092,863 3.367,864 3.956,865 4.571,866 5.183,867 5.704,868 6.099,869 6.542,870 6.903,871 6.923,872 7.065,873 0.833,874 28,875 7.402,877 3.024,878 7.383,879 14.786,881 12.105,883 1.883,884 37.667,885 0.002,888 258.964,889 100.24,890 5.023,892 11,895 100.24,896 269.964,897 5.023,898 16.793,899 15.931,900 56.429,901 11,902 13.968,903 13.915,904 247.193,906 258.964,907 105.264,908 11,911 235.422,912 23.542,913 11,915 20.954,916 74.833,917 9.476,919 258.964,920 16.023,921 100.24,924 258.964,925 27.019,926 78.245,928 11,929 258.964,930 16.023,931 100.24,933 0.573,934 0.319,935 0.173,936 0.099,937 15,938 6,939 0.091,940 4,941 1,942 1.133,943 3.297,944 149.295,945 0.133,946 15,947 84.439,951 13.562,952 5.919,953 3.034,954 2.65,955 14.124,956 11.175,961 1.339,962 2.346,964 375.228,965 28,972 2.206,974 1.415,975 41.367,976 47.358,977 0.251,978 0.596,979 0.826,980 0.879,981 0.879,982 0.879,983 4.59,984 1,985 5.46,986 2.684,987 4.111,988 4.64,989 1.528,990 6.244,991 4.029,992 5.78,993 0.787,994 6.997,995 2.136,996 3.611,997 4.46,998 0.325,999 7.111,1000 3.501,1001 7.081,1002 0.365,1003 8.637,1004 1.826,1005 5.666,1006 6.875,1007 1.603,1008 10.208,1009 5.529,1010 8.426,1011 -0.427,1012 10.342,1013 0.85,1014 6.019,1015 7.616,1016 0.268,1017 11.954,1018 5.867,1019 9.809,1020 -0.796,1021 12.089,1022 -1.048,1023 7.526,1024 9.482,1025 1.778,1026 14.549,1027 7.347,1028 11.22,1029 -0.872,1030 13.866,1031 -1.926,1032 8.281,1033 10.642,1034 0.188,1035 16.64,1036 8.09,1037 12.653,1038 -1,1039 15.665,1040 -2,1041 9.558,1042 12.289,1043 1.991,1044 19.062,1045 9.341,1046 3.118,1047 -1,1048 17.479,1049 -2.347,1050 10.509,1051 13.64,1052 0.125,1053 21.292,1054 10.275,1055 2.743,1056 10.432,1057 19.305,1058 -2.615,1059 11.689,1060 15.198,1061 2.225,1062 23.653,1063 11.43,1064 2.244,1065 8.876,1066 21.14,1067 4.515,1068 12.732,1069 16.634,1070 0.082,1071 25.941,1072 12.452,1073 1.949,1074 6.077,1075 22.982,1076 3.549,1077 13.874,1078 18.158,1079 2.473,1080 28.282,1081 13.569,1082 1.795,1083 5.024,1084 24.829,1085 2.74,1086 14.96,1087 19.632,1088 0.054,1089 30.595,1090 14.632,1091 1.307,1092 4.617,1093 26.681,1094 2.337,1095 16.09,1096 21.143,1097 2.73,1098 32.931,1099 15.735,1100 1.133,1101 3.417,1102 28.536,1103 2.182,1104 17.197,1105 22.634,1106 0.035,1107 35.257,1108 16.816,1109 3692,1110 5314,1111 14.909,1112 27.08,1113 33.155,1114 33.077,1115 33.327,1116 32.926,1117 32.881,1118 41.959,1119 3.902,1120 91.88,1121 31.407,1122 5.488,1123 5.174,1124 6.368,1125 5.164,1126 5.118,1127 7.515,1128 2.302,1129 17.101,1130 5.037,1131 7.989,1132 1.507,1133 1.504,1134 1.515,1135 1.497,1136 1.495,1137 1.907,1138 0.177,1139 4.176,1140 1.428,1141 4.146,1142 4.18,1143 4.105,1144 4.064,1145 4.937,1146 4.069,1147 3.801,1148 3.839,1149 3.71,1150 3.675,1151 4.666,1152 3.678,1153 3.644,1154 3.727,1155 3.498,1156 3.436,1157 4.339,1158 3.439,1159 3.371,1160 3.435,1161 3.251,1162 3.2,1163 4.226,1164 3.202,1165 3.116,1166 3.191,1167 2.945,1168 2.951,1169 3.867,1170 2.937,1171 3.033,1172 3.125,1173 2.799,1174 2.869,1175 3.657,1176 2.84,1177 2.881,1178 3.009,1179 2.69,1180 2.731,1181 3.498,1182 2.711,1183 2.874,1184 2.951,1185 2.574,1186 2.618,1187 3.467,1188 2.57,1189 0.208,1190 0.144,1191 0.298,1192 0.186,1193 0.142,1194 4.568,1195 0.205,1196 3.174,1197 0.052,1198 6.566,1199 0.474,1200 4.09,1201 0.138,1202 3.118,1203 4.515,1204 1.151,1205 10.432,1206 3.037,1207 1.986,1208 1.964,1209 2.078,1210 2.073,1211 1.293,1212 2.075,1213 1.71,1214 1.664,1215 1.918,1216 1.928,1217 1.171,1218 1.931,1219 1.667,1220 1.606,1221 1.855,1222 1.832,1223 1.043,1224 1.84,1225 1.449,1226 1.369,1227 1.689,1228 1.69,1229 0.782,1230 1.696,1231 1.144,1232 1.077,1233 1.446,1234 1.334,1235 0.684,1236 1.375,1237 1.072,1238 0.986,1239 1.421,1240 1.294,1241 0.563,1242 1.344,1243 0.934,1244 0.83,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.897,1250 0.804,1251 1.147,1252 1.118,1253 0.338,1254 1.131,1255 3.807,1257 5.106,1258 2.398,1259 6.6,1260 4.727,1261 8.183,1262 6.823,1263 9.818,1265 4.23,1271 4.692,1273 5.395,1276 2.219,1280 25.026,1281 56.883,1282 134.968,1283 186.968,1284 198.968,1285 198.968,1286 198.968,1287 21.211,1288 6.75,1289 17.4,1290 17.4,1291 17,1292 12.167,1293 3.585,1294 2.807,1295 29.922,1296 60,1297 59,1298 0.25,1299 154.608,1300 261.37,1301 369.003,1302 6769,1304 13.949,1305 0.697,1306 0.615,1307 13.949,1308 12.302,1309 9.737,1310 0.443,1311 0.329,1312 7.14,1313 9.369,1314 6.882,1315 5.731,1316 9.737,1317 7.247,1318 8.704,1319 0.29,1320 0.188,1321 8.704,1322 5.64,1323 7.034,1324 0.18,1325 0.1,1326 7.034,1327 3.896,1328 5.82,1329 0.114,1330 0.052,1331 5.82,1332 2.676,1333 4.792,1334 0.075,1335 0.029,1336 4.792,1337 1.869,1338 0.382,1339 60.779,1340 0.259,1341 19.849,1342 0.707,1343 104,1344 245.026,1345 110.709,1346 237.488,1347 330.98,1348 226,1349 121,1350 241.214,1351 128.515,1352 250.103,1353 364.19,1354 233,1355 7.495} {0 CHEMBL138821,1 1.397,2 7.842,3 3.649,4 13.312,5 84.153,6 7.309,7 0.714,8 3.691,9 3.814,10 3.327,11 3.329,12 4.671,13 3.245,14 4.221,15 4.417,16 3.616,17 3.712,18 5.092,19 3.611,20 4.371,21 4.578,22 3.487,23 3.783,24 5.202,25 3.64,26 4.517,27 4.785,28 3.476,29 3.783,30 5.254,31 3.6,32 4.42,33 4.7,34 3.397,35 3.658,36 5.135,37 3.477,38 4.192,39 4.416,40 3.353,41 3.57,42 5.007,43 3.414,44 4.205,45 4.445,46 3.184,47 3.534,48 4.974,49 3.307,50 4.086,51 4.384,52 2.669,53 3.223,54 4.712,55 2.933,56 0.039,57 0.528,58 8.611,59 3.635,60 6.965,61 4.865,62 0.138,63 0.901,64 17.149,65 5.991,66 11.172,67 7.905,68 0.134,69 0.983,70 17.952,71 7.339,72 13.758,73 10.13,74 0.11,75 1.082,76 21.975,77 9.018,78 17.529,79 12.407,80 0.152,81 1.018,82 22.324,83 8.031,84 16.016,85 10.654,86 0.105,87 0.823,88 16.552,89 6.262,90 12.293,91 8.523,92 0.077,93 0.801,94 16.47,95 6.907,96 13.494,97 9.204,98 0.087,99 0.695,100 18.222,101 6.792,102 11.947,103 8.509,104 8,105 29,106 0.252,107 0.566,108 0.75,109 0.836,110 0.836,111 0.836,112 3.011,113 1.063,114 -3.86,115 -3.82,116 -3.62,119 43.2,124 2,125 2,140 5,141 3,149 3,150 1,169 7,172 3,178 10,181 1,182 2,189 8,193 2,199 5,203 4,211 3,215 3,222 2,226 2,233 1,237 1,249 1,259 428,260 12.93,261 12.93,262 12.93,263 12.93,264 12.93,265 11.243,266 7.634,267 7.716,268 13.364,269 10.386,270 10.386,271 10.386,272 10.386,273 10.386,274 7.847,275 7.5,276 3.686,277 11.033,278 3.812,279 2.076,280 1.057,281 0.581,282 0.581,283 0.581,284 3.689,287 1,288 1,289 1,290 319,291 2.739,294 86.118,295 44.441,298 70.568,302 1.324,303 4.803,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 39,315 149,316 4.569,317 3.15,318 6.566,319 4.09,320 3.119,321 4.518,322 0.8,323 10.432,324 3.034,325 4.129,326 2.774,327 6.095,328 3.727,329 2.753,330 3.732,332 8.885,333 2.679,334 3.452,335 2.564,336 5.144,337 3.17,338 2.244,339 2.815,341 6.078,342 2.077,343 3.262,344 2.063,345 4.625,346 2.88,347 1.948,348 2.595,350 5.024,351 1.81,352 3.144,353 1.778,354 4.511,355 2.705,356 1.768,357 2.182,359 4.653,360 1.649,361 2.725,362 1.292,363 4.107,364 2.235,365 1.267,366 1.825,368 3.398,369 1.221,370 2.4,371 0.984,372 3.347,373 1.884,374 0.956,375 1.356,377 2.182,378 0.872,379 2.132,380 0.771,381 3.218,382 1.672,383 0.732,384 0.991,386 1.724,387 0.677,388 2.118,389 0.618,390 3,391 1.499,392 0.618,393 0.927,395 1.372,396 0.53,397 1.569,398 0.414,399 2.874,400 1.315,401 0.351,402 0.424,404 0.823,405 0.337,406 0.845,407 -0.404,408 2.435,409 0.443,410 -0.527,411 -0.671,413 -1.34,414 -0.506,415 0.625,416 -0.6,417 2.119,418 0.148,419 -0.83,420 -1,422 -2,423 -0.805,424 0.182,425 -0.764,426 2,427 -0.1,428 -1,429 -1.115,431 -2.567,432 -0.9,433 0.026,434 -0.962,435 1.84,436 -0.138,437 -1.069,438 -1.382,440 -2.92,441 -0.982,443 -1.353,444 1.466,445 -0.484,446 -1.386,447 -1.731,449 -3.218,450 -1.181,451 9.633,452 0.507,453 0.435,454 0.023,455 24,456 1.263,457 12,458 0.632,459 12,460 0.632,461 13.911,462 0.732,463 19.767,464 0.534,465 14.466,466 0.761,467 4.701,468 0.247,469 4.536,470 0.239,471 0.104,473 0.291,479 0.98,480 1.284,481 0.784,482 0.947,483 0.997,484 0.949,485 1.909,486 0.813,487 1.012,488 0.766,489 0.892,490 0.759,491 1.055,492 0.998,493 0.934,494 0.989,495 1.077,496 1.123,497 0.644,498 0.986,499 0.676,500 0.843,501 0.893,502 0.939,503 1.288,504 0.827,505 0.882,506 0.789,507 0.868,508 0.799,509 1.017,510 1.064,511 0.93,512 1.003,513 0.958,514 1.033,515 0.75,516 1.127,517 0.978,518 1.108,519 1.302,520 1.238,521 0.732,522 1.045,523 1.263,524 1.217,525 0.983,526 1.082,527 3.5,528 0.04,529 2.222,530 0.757,531 0.703,532 0.58,533 0.374,534 0.107,535 0.121,536 0.055,537 3257,538 7224,539 2.113,540 48.6,542 15,543 3,550 1.604,551 2,552 2.998,553 -0.828,555 1,557 1,559 51.691,560 1.397,561 3.133,562 4.152,563 4.628,564 4.628,565 4.628,566 2.465,567 3.722,568 4.216,569 3.133,570 535.704,571 7.187,572 5224.68,573 1,574 1,575 1,576 1,577 192.75,578 1.324,579 4.189,580 0.167,581 0.01,582 0.077,583 0.03,584 0.031,585 0.028,586 0.019,587 0.008,588 0.015,589 0.009,590 0.392,591 0.83,592 1,593 1.236,594 81.996,595 0.118,596 -0.199,597 0.094,598 -0.017,599 -0.018,600 -0.003,601 -0.312,602 0.314,603 -0.027,604 0.174,605 0.037,606 0.163,607 -0.082,608 -0.008,609 -0.172,610 -0.133,611 -0.154,612 -0.183,613 0.119,614 -0.082,615 0.105,616 0.03,617 0.071,618 0.03,619 -0.069,620 0.157,621 0.079,622 0.15,623 0.1,624 0.156,625 -0.022,626 -0.075,627 -0.031,628 -0.072,630 -0.074,631 -0.062,632 -0.202,633 -0.085,634 -0.158,635 -0.298,636 -0.257,637 0.022,638 -0.136,639 -0.102,640 -0.124,641 -0.012,642 -0.066,643 0.469,644 0.338,645 0.737,646 13.978,647 0.982,648 1.115,649 2.627,650 6.902,651 0.696,652 3.091,653 3.401,654 3.664,655 3.932,656 4.078,657 4.22,658 4.344,659 4.443,660 4.357,661 4.263,662 4.872,663 0.634,664 270.43,665 3.091,666 4.615,667 5.46,668 6.333,669 7.203,670 8.085,671 8.965,672 9.852,673 10.738,674 11.627,675 5.4,678 1,683 1,687 2,688 8,692 1,693 2,694 1,695 15,714 37,716 15,717 1,718 21,720 39,721 16,722 12,723 3,724 3,730 3,731 4,745 12,746 4,760 1,761 1,764 18,765 1,767 3,768 1,773 2,777 0.667,788 1,792 2,793 1,796 1,815 1,819 2,821 1,823 2,827 19,833 2,838 1,842 1,854 9.5,855 7.233,856 4.167,857 2.119,858 2.834,859 1.428,860 1.011,861 3.601,862 9.45,863 3.384,864 4.016,865 4.663,866 5.307,867 5.75,868 6.206,869 6.682,870 7.119,871 7.284,872 7.483,873 1,874 25,875 7.01,877 2.876,878 7.368,879 13.955,881 11.448,883 1.868,884 35.5,885 0.003,888 211.88,889 135.097,890 5.023,894 31.278,895 103.819,896 211.88,897 5.023,898 16.793,899 4.211,900 71.727,902 13.968,903 37.457,904 207.844,906 211.88,907 108.843,909 31.278,911 211.88,915 9.235,916 99.608,918 31.278,919 211.88,920 5.023,921 135.097,924 211.88,925 46.577,926 93.543,929 211.88,930 5.023,931 135.097,933 0.577,934 0.322,935 0.174,936 0.09,937 15,938 6,939 0.103,940 4,941 1,942 1.143,943 3.207,944 139.747,945 0.143,946 14,947 76.711,948 1,951 12.733,952 5.374,953 2.685,954 2.642,955 3.124,956 17.619,960 1.747,961 2.616,962 2.338,964 352,965 28.5,975 36.349,976 41.238,977 0.268,978 0.601,979 0.797,980 0.888,981 0.888,982 0.888,983 4.593,984 0.732,985 5.434,986 2.182,987 4.078,988 4.7,989 0.673,990 6.229,991 3.98,992 5.801,993 0.618,994 6.978,995 1.724,996 3.611,997 4.477,998 0.325,999 7.111,1000 3.501,1001 7.104,1002 0.351,1003 8.625,1004 1.372,1005 5.645,1006 6.968,1007 0.379,1008 10.205,1009 5.487,1010 8.452,1011 -0.527,1012 10.334,1013 0.823,1014 6.043,1015 7.684,1016 0.268,1017 11.958,1018 5.872,1019 9.837,1020 -0.83,1021 12.085,1022 -1.34,1023 7.515,1024 9.571,1025 0.239,1026 14.549,1027 7.312,1028 11.249,1029 -1,1030 13.864,1031 -2,1032 8.302,1033 10.715,1034 0.188,1035 16.642,1036 8.084,1037 12.682,1038 -1.069,1039 15.664,1040 -2.567,1041 9.557,1042 12.365,1043 0.156,1044 19.063,1045 9.312,1046 3.119,1047 -1.386,1048 17.48,1049 -2.92,1050 10.525,1051 13.706,1052 0.125,1053 21.294,1054 10.26,1055 2.753,1056 10.432,1057 19.306,1058 -3.218,1059 11.694,1060 15.261,1061 0.102,1062 23.655,1063 11.404,1064 2.244,1065 8.885,1066 21.142,1067 4.518,1068 12.746,1069 16.69,1070 0.082,1071 25.943,1072 12.432,1073 1.948,1074 6.078,1075 22.984,1076 3.732,1077 13.883,1078 18.21,1079 0.066,1080 28.284,1081 13.544,1082 1.768,1083 5.024,1084 24.831,1085 2.815,1086 14.973,1087 19.679,1088 0.054,1089 30.597,1090 14.608,1091 1.267,1092 4.653,1093 26.683,1094 2.595,1095 16.1,1096 21.186,1097 0.043,1098 32.932,1099 15.709,1100 0.956,1101 3.398,1102 28.538,1103 2.182,1104 17.208,1105 22.674,1106 0.035,1107 35.258,1108 16.791,1109 3205,1110 4869,1111 14.216,1112 25.75,1113 31.859,1114 31.292,1115 31.738,1116 31.495,1117 31.512,1118 42.728,1119 1.6,1120 89.142,1121 29.773,1122 5.4,1123 5.15,1124 6.163,1125 5.156,1126 5.119,1127 7.518,1128 1.2,1129 17.102,1130 5.034,1131 7.683,1132 1.517,1133 1.49,1134 1.511,1135 1.5,1136 1.501,1137 2.035,1138 0.076,1139 4.245,1140 1.418,1141 4.149,1142 4.181,1143 4.23,1144 4.083,1145 4.943,1146 4.078,1147 3.825,1148 3.842,1149 4.051,1150 3.845,1151 4.642,1152 3.776,1153 3.642,1154 3.722,1155 3.515,1156 3.445,1157 4.325,1158 3.444,1159 3.35,1160 3.413,1161 3.305,1162 3.225,1163 4.153,1164 3.208,1165 3.093,1166 3.168,1167 2.954,1168 2.949,1169 3.762,1170 2.928,1171 2.874,1172 3.009,1173 2.691,1174 2.729,1175 3.503,1176 2.706,1177 2.859,1178 2.929,1179 2.57,1180 2.618,1181 3.467,1182 2.57,1183 2.503,1184 2.587,1185 2.499,1186 2.386,1187 3.252,1188 2.355,1189 0.218,1190 0.15,1191 0.313,1192 0.195,1193 0.149,1194 4.569,1195 0.215,1196 3.15,1197 0.038,1198 6.566,1199 0.497,1200 4.09,1201 0.144,1202 3.119,1203 4.518,1204 0.8,1205 10.432,1206 3.034,1207 1.964,1208 1.944,1209 2.043,1210 2.046,1211 1.24,1212 2.046,1213 1.683,1214 1.611,1215 1.905,1216 1.899,1217 1.113,1218 1.908,1219 1.484,1220 1.449,1221 1.691,1222 1.69,1223 0.782,1224 1.696,1225 1.422,1226 1.352,1227 1.596,1228 1.541,1229 0.726,1230 1.563,1231 1.305,1232 1.311,1233 1.417,1234 1.321,1235 0.562,1236 1.409,1237 1.069,1238 0.991,1239 1.408,1240 1.24,1241 0.502,1242 1.308,1243 0.934,1244 0.804,1245 1.227,1246 1.239,1247 0.469,1248 1.308,1249 0.856,1250 0.794,1251 1.118,1252 1.026,1253 0.219,1254 1.063,1255 3.761,1257 5.069,1258 3.045,1259 6.555,1260 5.283,1261 8.131,1262 7.286,1263 9.762,1265 4.227,1271 2.093,1276 2.217,1280 23.444,1281 51.691,1282 115.921,1283 153.63,1284 171.24,1285 171.24,1286 171.24,1287 18.386,1288 6.616,1289 8.17,1290 36.41,1291 16,1292 12.158,1293 4,1294 3.087,1295 27.781,1296 54,1297 54,1298 0.257,1299 149.223,1300 240.25,1301 355.864,1302 5589,1304 13.242,1305 0.697,1306 0.64,1307 13.596,1308 12.152,1309 9.237,1310 0.44,1311 0.354,1312 6.516,1313 8.517,1314 6.163,1315 5.173,1316 9.737,1317 7.444,1318 8.35,1319 0.288,1320 0.203,1321 8.848,1322 5.878,1323 6.784,1324 0.179,1325 0.108,1326 7.298,1327 4.1,1328 5.643,1329 0.113,1330 0.059,1331 6.239,1332 2.96,1333 4.179,1334 0.072,1335 0.031,1336 4.505,1337 1.807,1338 0.392,1339 61.779,1340 0.265,1341 18.91,1342 0.733,1343 100,1344 222.151,1345 122.772,1346 245.476,1347 343.5,1348 232,1349 117,1350 242.635,1351 136.89,1352 266.98,1353 385.18,1354 248,1355 8.137} {0 CHEMBL138872,1 1.458,2 8.524,3 2.306,4 5.316,5 91.416,6 6.767,7 0.435,8 3.878,9 4.008,10 3.425,11 3.448,12 4.799,13 3.363,14 4.467,15 4.667,16 3.771,17 3.883,18 5.306,19 3.771,20 4.727,21 4.935,22 3.765,23 4.042,24 5.615,25 3.897,26 4.874,27 5.139,28 3.694,29 4.02,30 5.685,31 3.84,32 4.765,33 5.064,34 3.582,35 3.892,36 5.465,37 3.7,38 4.541,39 4.783,40 3.576,41 3.82,42 5.357,43 3.657,44 4.54,45 4.781,46 3.341,47 3.749,48 5.322,49 3.543,50 4.481,51 4.787,52 3.139,53 3.566,54 5.124,55 3.291,56 0.056,57 0.654,58 11.605,59 4.712,60 8.42,61 6.362,62 0.175,63 1.115,64 23.964,65 8.224,66 12.526,67 10.932,68 0.244,69 1.33,70 29.282,71 10.925,72 27.875,73 14.464,74 0.269,75 1.404,76 32.215,77 11.855,78 36.487,79 16.408,80 0.274,81 1.283,82 29.614,83 10.381,84 25.644,85 14.615,86 0.157,87 1.102,88 24.167,89 8.827,90 19.865,91 11.993,92 0.192,93 1.06,94 23.786,95 8.59,96 22.687,97 11.903,98 0.199,99 0.921,100 22.729,101 8.519,102 19.998,103 11.49,104 13,105 33,106 0.256,107 0.563,108 0.755,109 0.802,110 0.802,111 0.802,112 3.104,113 1.145,114 -3.43,115 -3.41,116 -3.26,119 37.8,121 2,124 2,125 4,129 1,140 4,141 2,149 1,150 1,169 5,172 3,176 3,178 10,181 1,182 2,186 2,189 8,193 1,197 2,199 4,203 5,206 1,208 1,211 4,215 2,220 1,222 3,226 2,233 1,237 2,240 1,244 1,259 528,260 14.007,261 14.007,262 14.007,263 14.007,264 14.007,265 12.916,266 16.291,267 8.206,268 14.505,269 11.338,270 11.338,271 11.338,272 11.338,273 11.338,274 9.623,275 19.191,276 3.871,277 12.091,278 4.034,279 2.282,280 1.189,281 0.922,282 0.922,283 0.922,284 3.781,287 1,288 1,289 1,290 380,291 3.162,294 45.357,295 112.85,298 79.949,302 1.311,303 12.941,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 44,315 179,316 4.636,317 4.236,318 7.474,319 4.418,320 3.45,321 4.518,322 2.95,323 13.206,324 3.333,325 4.382,326 3.743,327 6.53,328 3.996,329 3.036,330 3.658,331 0.8,332 10.293,333 2.916,334 3.443,335 3.092,336 5.17,337 3.179,338 2.253,339 2.749,340 0.765,341 6.141,342 2.088,343 3.17,344 2.574,345 4.993,346 2.912,347 1.975,348 2.355,350 5.323,351 1.846,352 3.131,353 2.42,354 4.624,355 2.754,356 1.801,357 2.182,359 5.024,360 1.719,361 2.704,362 2.091,363 4.138,364 2.313,365 1.463,366 1.782,368 3.429,369 1.243,370 2.509,371 1.766,372 3.732,373 2.18,374 1.223,375 1.51,377 3.073,378 1.13,379 2.167,380 1.274,381 3.641,382 1.955,383 1,384 1.053,386 2.23,387 0.942,388 2,389 0.875,390 3.3,391 1.778,392 0.802,393 1,395 1.855,396 0.78,397 1.571,398 0.452,399 3,400 1.335,401 0.368,402 0.436,404 0.858,405 0.355,406 0.864,407 0.231,408 2.85,409 0.602,410 -0.306,411 -0.318,413 -0.721,414 -0.271,415 0.631,416 0.212,417 2.333,418 0.361,419 -0.577,420 -0.694,422 -1.467,423 -0.542,424 0.606,425 -0.298,426 2.197,427 0.147,428 -0.833,429 -1,431 -2,432 -0.81,433 0.147,434 -0.6,435 2,436 -0.1,437 -1,438 -1,440 -2.508,441 -0.813,443 -0.665,444 2,445 -0.137,446 -1,447 -1.115,449 -2.598,450 -0.9,451 10.467,452 0.498,453 0.589,454 0.028,455 21.25,456 1.012,457 8,458 0.381,459 13.25,460 0.631,461 21.135,462 1.006,463 23.733,464 0.527,465 12.955,466 0.617,467 3.461,468 0.165,469 6.622,470 0.315,471 0.127,472 0.048,473 0.22,479 0.992,480 1.365,481 0.862,482 1.042,483 1.034,484 1.056,485 1.245,486 1.005,487 1.19,488 1.026,489 0.771,490 0.911,491 1.338,492 1.098,493 1.177,494 1.163,495 1.44,496 1.163,497 1.109,498 1.049,499 0.773,500 0.931,501 1.413,502 1.023,503 0.743,504 0.815,505 0.725,506 0.737,507 0.634,508 0.8,509 0.929,510 1.07,511 0.989,512 1.032,513 0.709,514 1.038,515 1.185,516 1.216,517 1.106,518 1.177,519 1.325,520 1.292,521 0.597,522 0.921,523 0.804,524 0.893,525 0.774,526 0.99,527 5,528 0.037,529 3.111,530 1.354,531 0.876,532 0.878,533 0.52,534 0.167,535 0.182,536 0.066,537 4094,538 8668,539 2.062,540 53.3,542 18,543 1,545 1,548 4,550 1.634,551 1.924,552 3.084,553 -0.338,554 1,555 1,557 1,559 65.607,560 1.458,561 3.21,562 4.303,563 4.569,564 4.569,565 4.569,566 2.529,567 4.107,568 4.361,569 3.211,570 674.264,571 7.484,572 7005.48,574 1,576 1,577 247.133,578 1.565,579 4.311,580 0.217,581 0.007,582 0.094,583 0.042,584 0.032,585 0.035,586 0.021,587 0.01,588 0.015,589 0.007,590 0.482,591 0.67,592 1,593 1.238,594 93.84,595 -0.012,596 -0.158,597 0.082,598 0.018,599 -0.12,600 0.017,601 -0.127,602 0.173,603 -0.049,604 0.065,605 0.031,606 0.107,607 -0.111,608 -0.043,609 -0.203,610 -0.154,611 -0.065,612 -0.157,613 -0.008,614 -0.135,615 0.02,616 -0.06,617 -0.075,618 -0.063,619 0.099,620 0.125,621 0.13,622 0.14,623 0.05,624 0.144,625 -0.036,626 -0.032,627 -0.035,628 -0.051,629 0.07,630 -0.045,631 -0.16,632 -0.225,633 -0.218,634 -0.236,635 -0.216,636 -0.312,637 0.144,638 -0.041,639 0.09,640 0.034,641 0.014,642 -0.027,643 1.879,644 4.918,645 0.714,646 15.415,647 0.985,648 1.127,649 2.203,650 4.853,651 0.655,652 3.178,653 3.526,654 3.784,655 4.025,656 4.248,657 4.357,658 4.477,659 4.554,660 4.522,661 4.477,662 5.105,663 0.594,664 304.5,665 3.178,666 4.727,667 5.58,668 6.472,669 7.352,670 8.252,671 9.143,672 10.048,673 10.944,674 11.851,675 4.4,678 1,683 1,687 2,688 5,693 1,694 1,695 10,714 45,716 10,717 1,718 23,720 47,721 17,722 8,723 3,724 3,730 3,731 4,740 2,741 1,743 2,745 8,746 9,747 1,760 1,761 1,764 24,765 2,766 1,767 4,768 1,773 2,777 0.667,778 1,781 1,788 1,792 1,793 2,796 1,815 1,817 1,819 2,820 1,821 1,823 2,827 21,832 1,833 6,836 1,838 1,839 1,847 2.2,848 1,854 10.917,855 8.433,856 4.556,857 2.697,858 2.071,859 1.304,860 0.931,861 4.41,862 8.889,863 3.367,864 3.956,865 4.55,866 5.149,867 5.665,868 6.061,869 6.473,870 6.806,871 6.769,872 6.855,873 0.833,874 32,875 7.837,877 3.317,878 7.456,879 15.628,881 13.266,883 1.956,884 41.083,885 0.002,887 1,888 270.735,889 114.947,890 5.023,892 42.683,894 32.22,895 82.728,896 313.419,897 5.023,898 16.793,899 11.08,900 89.636,902 10.782,903 13.915,904 291.184,906 270.735,907 87.751,908 42.683,909 32.22,911 223.651,912 47.084,913 42.683,915 16.103,916 71.648,918 32.22,919 270.735,920 47.707,921 114.947,924 270.735,925 51.202,926 68.769,928 42.683,929 270.735,930 47.707,931 114.947,933 0.587,934 0.331,935 0.17,936 0.095,937 17,938 7,939 0.085,940 4,941 1,942 1.133,943 3.294,944 163.426,945 0.133,946 15,947 86.239,948 1,951 15.104,952 6.131,953 3.188,954 2.493,955 45.808,956 10.764,961 1.083,962 2.291,963 42.683,964 433.389,965 28,975 44.327,976 50.693,977 0.265,978 0.585,979 0.783,980 0.832,981 0.832,982 0.832,983 4.63,984 1,985 5.609,986 3.073,987 4.205,988 4.64,989 3.022,990 6.491,991 4.099,992 5.843,993 0.802,994 7.222,995 2.23,996 4.007,997 4.59,998 0.325,999 7.844,1000 3.862,1001 7.177,1002 0.368,1003 8.958,1004 1.855,1005 5.916,1006 6.879,1007 5.034,1008 10.887,1009 5.741,1010 8.556,1011 -0.306,1012 10.773,1013 0.858,1014 6.567,1015 7.696,1016 0.268,1017 13.08,1018 6.361,1019 9.974,1020 -0.577,1021 12.642,1022 -0.721,1023 8.007,1024 9.503,1025 7.185,1026 15.754,1027 7.771,1028 11.419,1029 -0.833,1030 14.548,1031 -1.467,1032 9.004,1033 10.699,1034 0.188,1035 18.203,1036 8.737,1037 12.884,1038 -1,1039 16.478,1040 -2,1041 10.289,1042 12.319,1043 9.348,1044 20.791,1045 9.991,1046 3.45,1047 -1,1048 18.427,1049 -2.508,1050 11.422,1051 13.684,1052 0.125,1053 23.32,1054 11.091,1055 3.036,1056 13.206,1057 20.389,1058 -2.598,1059 12.658,1060 15.23,1061 11.511,1062 25.891,1063 12.295,1064 2.253,1065 10.293,1066 22.36,1067 4.518,1068 13.844,1069 16.67,1070 0.082,1071 28.448,1072 13.447,1073 1.975,1074 6.141,1075 24.338,1076 3.658,1077 15.067,1078 18.188,1079 13.675,1080 31.019,1081 14.637,1082 1.801,1083 5.323,1084 26.322,1085 2.749,1086 16.275,1087 19.662,1088 0.054,1089 33.587,1090 15.811,1091 1.463,1092 5.024,1093 28.311,1094 2.355,1095 17.497,1096 21.17,1097 15.838,1098 36.16,1099 16.999,1100 1.223,1101 3.429,1102 30.302,1103 2.182,1104 18.715,1105 22.66,1106 0.035,1107 38.734,1108 18.183,1109 4059,1110 5969,1111 15.197,1112 29.489,1113 35.082,1114 37.183,1115 35.817,1116 34.857,1117 34.742,1118 42.486,1119 9.029,1120 102.865,1121 32.7,1122 5.636,1123 6.236,1124 7.206,1125 5.536,1126 5.45,1127 7.518,1128 5.9,1129 20.608,1130 5.333,1131 9.791,1132 1.525,1133 1.617,1134 1.557,1135 1.516,1136 1.511,1137 1.847,1138 0.393,1139 4.472,1140 1.422,1141 4.148,1142 4.182,1143 4.116,1144 4.064,1145 6.447,1146 4.069,1147 3.801,1148 3.84,1149 3.928,1150 3.727,1151 4.916,1152 3.688,1153 3.644,1154 3.727,1155 3.531,1156 3.448,1157 4.336,1158 3.444,1159 3.371,1160 3.434,1161 3.386,1162 3.253,1163 4.23,1164 3.227,1165 3.121,1166 3.206,1167 3.066,1168 2.976,1169 4.039,1170 2.95,1171 3.111,1172 3.193,1173 2.866,1174 2.941,1175 3.757,1176 2.91,1177 2.911,1178 3.009,1179 2.837,1180 2.775,1181 3.503,1182 2.731,1183 2.874,1184 2.972,1185 2.666,1186 2.677,1187 3.474,1188 2.63,1189 0.202,1190 0.184,1191 0.325,1192 0.192,1193 0.15,1194 4.636,1195 0.196,1196 4.236,1197 0.128,1198 7.474,1199 0.574,1200 4.418,1201 0.145,1202 3.45,1203 4.518,1204 2.95,1205 13.206,1206 3.333,1207 1.985,1208 1.964,1209 2.074,1210 2.074,1211 1.395,1212 2.079,1213 1.72,1214 1.679,1215 1.916,1216 1.922,1217 1.198,1218 1.931,1219 1.671,1220 1.607,1221 1.845,1222 1.805,1223 1.069,1224 1.837,1225 1.45,1226 1.371,1227 1.689,1228 1.69,1229 0.825,1230 1.696,1231 1.153,1232 1.095,1233 1.513,1234 1.376,1235 0.782,1236 1.429,1237 1.153,1238 1.064,1239 1.435,1240 1.327,1241 0.587,1242 1.373,1243 0.934,1244 0.867,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.93,1250 0.804,1251 1.149,1252 1.147,1253 0.439,1254 1.174,1255 3.85,1257 5.187,1258 2.398,1259 6.725,1260 4.727,1261 8.355,1262 6.823,1263 10.035,1265 4.194,1270 10.918,1271 5.832,1274 1.941,1276 2.196,1277 -0.629,1280 26.74,1281 65.607,1282 144.465,1283 193.624,1284 205.624,1285 205.624,1286 205.624,1287 33.273,1288 6.818,1289 28.4,1290 53.7,1291 17,1292 12.371,1293 3.459,1294 2.585,1295 32.106,1296 64,1297 64,1298 0.256,1299 168.666,1300 282.52,1301 403.306,1302 7188,1304 14.872,1305 0.708,1306 0.652,1307 15.226,1308 13.696,1309 10.083,1310 0.438,1311 0.382,1312 7.646,1313 9.281,1314 7.254,1315 5.996,1316 10.583,1317 8.781,1318 9.457,1319 0.287,1320 0.226,1321 9.988,1322 7.455,1323 7.658,1324 0.178,1325 0.126,1326 8.085,1327 5.405,1328 6.153,1329 0.112,1330 0.075,1331 6.77,1332 4.142,1333 4.977,1334 0.072,1335 0.046,1336 5.584,1337 3.207,1338 0.39,1339 67.355,1340 0.257,1341 20.568,1342 0.733,1343 112,1344 244.3,1345 137.54,1346 261.101,1347 357.45,1348 246,1349 132,1350 247.979,1351 152.877,1352 264.924,1353 388.19,1354 247,1355 8.699} {0 CHEMBL138873,1 1.334,2 8.5,3 3.635,4 13.21,5 89.974,6 6.557,7 0.455,8 3.844,9 3.981,10 3.38,11 3.44,12 4.697,13 3.341,14 4.443,15 4.656,16 3.679,17 3.87,18 5.181,19 3.733,20 4.674,21 4.908,22 3.625,23 4.014,24 5.374,25 3.833,26 4.789,27 5.074,28 3.508,29 3.973,30 5.422,31 3.762,32 4.682,33 4.983,34 3.487,35 3.841,36 5.308,37 3.645,38 4.497,39 4.747,40 3.459,41 3.798,42 5.195,43 3.608,44 4.489,45 4.75,46 3.271,47 3.717,48 5.149,49 3.492,50 4.415,51 4.726,52 3.059,53 3.535,54 4.962,55 3.249,56 0.056,57 0.641,58 11.539,59 4.642,60 7.083,61 6.448,62 0.16,63 1.103,64 23.588,65 8.196,66 11.735,67 11.092,68 0.175,69 1.3,70 27.669,71 10.829,72 15.323,73 14.697,74 0.144,75 1.344,76 28.538,77 11.491,78 17.881,79 16.112,80 0.174,81 1.216,82 26.136,83 9.586,84 16.874,85 13.655,86 0.134,87 1.074,88 23.107,89 8.744,90 14.195,91 11.956,92 0.135,93 1.035,94 22.478,95 8.447,96 13.875,97 11.857,98 0.105,99 0.893,100 20.901,101 8.227,102 11.446,103 11.05,104 8,105 30,106 0.235,107 0.528,108 0.748,109 0.796,110 0.796,111 0.796,112 3.058,113 1.187,114 -4.27,115 -4.21,116 -3.97,119 38.6,121 2,122 1,124 2,125 4,140 4,141 2,149 1,150 1,169 8,172 3,178 12,181 1,182 2,189 10,193 2,199 5,203 5,211 5,215 2,222 3,226 3,233 1,237 2,244 1,259 488,260 13.637,261 13.637,262 13.637,263 13.637,264 13.637,265 12.533,266 14.814,267 8.216,268 14.1,269 10.886,270 10.886,271 10.886,272 10.886,273 10.886,274 9.15,275 12.87,276 3.936,277 11.564,278 4.126,279 2.462,280 1.216,281 0.943,282 0.943,283 0.943,284 3.74,287 1,288 1,289 1,290 363,291 2.739,294 42.246,295 105.869,298 74.793,302 1.35,303 5.486,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 41,315 170,316 4.56,317 4.212,318 6.566,319 4.089,320 3.118,321 4.508,322 2.95,323 10.432,324 3.036,325 3.943,326 3.195,327 6.092,328 3.725,329 2.743,330 3.289,331 0.8,332 8.876,333 2.692,334 3.411,335 2.901,336 5.144,337 3.17,338 2.244,339 2.709,341 6.077,342 2.078,343 3.148,344 2.566,345 4.625,346 2.883,347 1.949,348 2.183,350 5.024,351 1.814,352 3.019,353 2.42,354 4.497,355 2.728,356 1.795,357 2.104,359 4.617,360 1.674,361 2.704,362 2.045,363 4.106,364 2.252,365 1.307,366 1.781,368 3.417,369 1.231,370 2.327,371 1.535,372 3.511,373 2.033,374 1.133,375 1.3,377 2.684,378 0.987,379 2.103,380 1.257,381 3.269,382 1.955,383 1,384 1.003,386 2.136,387 0.942,388 2,389 0.867,390 3.247,391 1.754,392 0.787,393 1,395 1.826,396 0.755,397 1.568,398 0.452,399 2.879,400 1.332,401 0.365,402 0.433,404 0.85,405 0.352,406 0.86,407 0.231,408 2.534,409 0.536,410 -0.427,411 -0.497,413 -1.048,414 -0.408,415 0.625,416 -0.138,417 2.161,418 0.161,419 -0.796,420 -0.89,422 -1.926,423 -0.749,424 0.282,425 -0.548,426 2,427 0.096,428 -0.872,429 -1,431 -2,432 -0.813,433 0.106,434 -0.6,435 1.858,436 -0.1,437 -1,438 -1,440 -2.347,441 -0.85,443 -0.831,444 1.555,445 -0.137,446 -1,447 -1.2,449 -2.615,450 -0.9,451 10.133,452 0.507,453 0.435,454 0.022,455 20.5,456 1.025,457 8,458 0.4,459 12.5,460 0.625,461 19.423,462 0.971,463 22.267,464 0.506,465 11.156,466 0.558,467 3.239,468 0.162,469 6.498,470 0.325,471 0.099,473 0.276,479 0.997,480 1.38,481 0.87,482 1.057,483 0.988,484 1.078,485 1.818,486 0.985,487 1.252,488 1.017,489 0.948,490 0.94,491 1.011,492 1.068,493 1.151,494 1.144,495 1.078,496 1.151,497 0.637,498 1.048,499 0.761,500 0.933,501 1.008,502 1.012,503 1.169,504 0.81,505 0.688,506 0.694,507 1.012,508 0.799,509 1.176,510 1.071,511 1.045,512 1.042,513 1.148,514 1.075,515 1.004,516 1.186,517 1.03,518 1.145,519 1.311,520 1.228,521 0.655,522 0.945,523 0.817,524 0.912,525 0.908,526 0.996,527 3.5,528 0.037,529 2.222,530 0.917,531 0.644,532 0.649,533 0.424,534 0.135,535 0.133,536 0.066,537 3755,538 7127,539 2.107,540 54.5,541 1,542 18,543 1,547 4,550 1.619,551 2,552 3.098,553 -0.836,555 1,557 1,559 58.689,560 1.334,561 2.998,562 4.243,563 4.516,564 4.516,565 4.516,566 2.528,567 3.922,568 4.289,569 3.215,570 610.849,571 7.335,572 6190.9,574 1,576 1,577 240.215,578 1.295,579 4.266,580 0.159,581 0.007,582 0.074,583 0.033,584 0.027,585 0.028,586 0.019,587 0.008,588 0.012,589 0.009,590 0.378,591 0.67,592 1,593 1.197,594 88.265,595 0.143,596 -0.189,597 0.101,598 -0.012,599 0.105,600 0.002,601 -0.249,602 0.179,603 -0.086,604 0.06,605 0.052,606 0.073,607 -0.061,608 -0.027,609 -0.18,610 -0.14,611 -0.087,612 -0.137,613 0.078,614 -0.133,615 0.011,616 -0.057,617 -0.024,618 -0.044,619 -0.023,620 0.136,621 0.119,622 0.153,623 0.018,624 0.131,625 -0.113,626 -0.044,627 -0.079,628 -0.062,629 -0.091,630 -0.083,631 -0.084,632 -0.205,633 -0.143,634 -0.208,635 -0.271,636 -0.248,637 0.051,638 -0.056,639 0.078,640 0.021,641 -0.013,642 -0.037,643 0.558,644 0.436,645 0.75,646 15.24,647 0.977,648 1.125,649 3.039,650 9.234,651 0.66,652 3.135,653 3.434,654 3.689,655 3.951,656 4.174,657 4.248,658 4.394,659 4.489,660 4.431,661 4.419,662 5.1,663 0.591,664 288.5,665 3.135,666 4.654,667 5.493,668 6.361,669 7.226,670 8.104,671 8.981,672 9.865,673 10.748,674 11.635,675 4.5,678 1,683 1,687 2,688 5,693 1,694 1,695 10,714 44,716 10,717 1,718 22,720 46,721 17,722 8,723 3,724 3,730 3,731 4,740 2,741 1,743 2,745 8,746 9,747 1,760 1,761 1,764 24,765 1,767 3,768 1,773 2,777 0.667,788 1,792 1,793 2,796 1,815 1,819 2,820 1,821 1,823 2,827 20,833 6,836 1,837 1,838 1,854 10,855 8.317,856 4.417,857 2.751,858 2.08,859 1.308,860 0.978,861 4.494,862 8.83,863 3.332,864 3.897,865 4.496,866 5.11,867 5.622,868 5.987,869 6.394,870 6.741,871 6.662,872 6.765,873 0.833,874 28,875 7.438,877 3.059,878 7.258,879 15.191,881 12.832,883 1.758,884 35.167,885 0.004,887 1,888 282.506,889 114.947,890 5.023,894 32.22,895 82.728,896 282.506,897 5.023,898 16.793,899 11.08,900 46.952,902 10.782,903 13.915,904 302.955,906 282.506,907 87.751,909 32.22,911 235.422,912 47.084,915 16.103,916 71.648,918 32.22,919 282.506,920 5.023,921 114.947,924 282.506,925 51.202,926 68.769,929 282.506,930 5.023,931 114.947,933 0.573,934 0.319,935 0.173,936 0.099,937 15,938 6,939 0.087,940 4,941 1,942 1.133,943 3.297,944 149.295,945 0.133,946 15,947 80.439,948 1,951 14.183,952 6.337,953 3.298,954 2.778,955 3.124,956 11.559,961 1.544,962 2.399,964 402.477,965 27,975 43,976 49.484,977 0.244,978 0.549,979 0.777,980 0.827,981 0.827,982 0.827,983 4.559,984 1,985 5.46,986 2.684,987 4.111,988 4.58,989 2.963,990 6.244,991 4.016,992 5.729,993 0.787,994 6.997,995 2.136,996 3.611,997 4.388,998 0.325,999 7.111,1000 3.501,1001 7.02,1002 0.365,1003 8.637,1004 1.826,1005 5.666,1006 6.787,1007 5.03,1008 10.208,1009 5.516,1010 8.353,1011 -0.427,1012 10.342,1013 0.85,1014 6.019,1015 7.532,1016 0.268,1017 11.954,1018 5.867,1019 9.727,1020 -0.796,1021 12.089,1022 -1.048,1023 7.526,1024 9.394,1025 7.185,1026 14.549,1027 7.337,1028 11.132,1029 -0.872,1030 13.866,1031 -1.926,1032 8.281,1033 10.565,1034 0.188,1035 16.64,1036 8.089,1037 12.559,1038 -1,1039 15.665,1040 -2,1041 9.558,1042 12.214,1043 9.348,1044 19.062,1045 9.333,1046 3.118,1047 -1,1048 17.479,1049 -2.347,1050 10.509,1051 13.574,1052 0.125,1053 21.292,1054 10.272,1055 2.743,1056 10.432,1057 19.305,1058 -2.615,1059 11.689,1060 15.136,1061 11.511,1062 23.653,1063 11.424,1064 2.244,1065 8.876,1066 21.14,1067 4.508,1068 12.732,1069 16.579,1070 0.082,1071 25.941,1072 12.448,1073 1.949,1074 6.077,1075 22.982,1076 3.289,1077 13.874,1078 18.107,1079 13.675,1080 28.282,1081 13.564,1082 1.795,1083 5.024,1084 24.829,1085 2.709,1086 14.96,1087 19.585,1088 0.054,1089 30.595,1090 14.627,1091 1.307,1092 4.617,1093 26.681,1094 2.183,1095 16.09,1096 21.099,1097 15.838,1098 32.931,1099 15.73,1100 1.133,1101 3.417,1102 28.536,1103 2.104,1104 17.197,1105 22.593,1106 0.035,1107 35.257,1108 16.812,1109 3692,1110 5142,1111 14.909,1112 29.035,1113 33.018,1114 35.465,1115 33.327,1116 32.931,1117 32.881,1118 40.619,1119 7.5,1120 91.88,1121 31.121,1122 5.56,1123 6.212,1124 6.368,1125 5.207,1126 5.118,1127 7.508,1128 5.9,1129 17.101,1130 5.036,1131 7.989,1132 1.501,1133 1.612,1134 1.515,1135 1.497,1136 1.495,1137 1.846,1138 0.341,1139 4.176,1140 1.415,1141 4.147,1142 4.182,1143 4.112,1144 4.065,1145 4.925,1146 4.069,1147 3.791,1148 3.839,1149 3.922,1150 3.729,1151 4.355,1152 3.683,1153 3.643,1154 3.727,1155 3.527,1156 3.448,1157 4.282,1158 3.444,1159 3.37,1160 3.434,1161 3.365,1162 3.253,1163 4.065,1164 3.227,1165 3.116,1166 3.206,1167 3.032,1168 2.975,1169 3.761,1170 2.948,1171 3.111,1172 3.191,1173 2.866,1174 2.941,1175 3.504,1176 2.91,1177 2.887,1178 3.009,1179 2.811,1180 2.772,1181 3.474,1182 2.725,1183 2.874,1184 2.96,1185 2.664,1186 2.673,1187 3.467,1188 2.606,1189 0.207,1190 0.191,1191 0.298,1192 0.186,1193 0.142,1194 4.56,1195 0.205,1196 4.212,1197 0.134,1198 6.566,1199 0.474,1200 4.089,1201 0.138,1202 3.118,1203 4.508,1204 2.95,1205 10.432,1206 3.036,1207 1.99,1208 1.966,1209 2.093,1210 2.074,1211 1.441,1212 2.085,1213 1.725,1214 1.68,1215 1.92,1216 1.922,1217 1.199,1218 1.934,1219 1.672,1220 1.607,1221 1.855,1222 1.803,1223 1.069,1224 1.84,1225 1.45,1226 1.371,1227 1.689,1228 1.69,1229 0.825,1230 1.696,1231 1.154,1232 1.094,1233 1.513,1234 1.376,1235 0.782,1236 1.429,1237 1.153,1238 1.064,1239 1.436,1240 1.325,1241 0.618,1242 1.373,1243 0.934,1244 0.861,1245 1.417,1246 1.239,1247 0.485,1248 1.308,1249 0.932,1250 0.804,1251 1.171,1252 1.109,1253 0.469,1254 1.163,1255 3.807,1257 5.106,1258 2.398,1259 6.6,1260 4.727,1261 8.183,1262 6.823,1263 9.818,1265 4.271,1271 7.492,1274 2.102,1275 0.776,1276 2.244,1280 26.025,1281 58.689,1282 131.895,1283 186.705,1284 198.705,1285 198.705,1286 198.705,1287 22.851,1288 6.75,1289 8.17,1290 33.47,1291 17,1292 12.167,1293 3.459,1294 2.585,1295 29.922,1296 60,1297 59,1298 0.25,1299 164.67,1300 273.73,1301 393.555,1302 6769,1304 13.949,1305 0.697,1306 0.666,1307 14.303,1308 13.326,1309 9.737,1310 0.443,1311 0.396,1312 7.585,1313 8.993,1314 7.193,1315 5.976,1316 10.237,1317 8.706,1318 8.704,1319 0.29,1320 0.241,1321 9.234,1322 7.242,1323 7.034,1324 0.18,1325 0.137,1326 7.488,1327 5.328,1328 5.82,1329 0.114,1330 0.08,1331 6.315,1332 4.095,1333 4.792,1334 0.075,1335 0.051,1336 5.348,1337 3.262,1338 0.382,1339 64.779,1340 0.259,1341 19.849,1342 0.707,1343 104,1344 204.151,1345 126.772,1346 224.735,1347 312.63,1348 214,1349 121,1350 216.949,1351 139.219,1352 234.861,1353 341.82,1354 219,1355 8.252} {0 CHEMBL138907,1 1.244,2 9.5,3 4.538,4 20.595,5 85.612,6 6.032,7 0.524,8 3.843,9 3.979,10 3.229,11 3.378,12 4.76,13 3.306,14 4.408,15 4.622,16 3.479,17 3.725,18 5.221,19 3.619,20 4.649,21 4.908,22 3.535,23 3.848,24 5.396,25 3.712,26 4.659,27 4.913,28 3.441,29 3.83,30 5.395,31 3.668,32 4.728,33 5.02,34 3.28,35 3.761,36 5.397,37 3.571,38 4.594,39 4.887,40 3.116,41 3.649,42 5.239,43 3.445,44 4.482,45 4.784,46 3.077,47 3.571,48 5.129,49 3.372,50 4.372,51 4.659,52 3.033,53 3.536,54 5.04,55 3.349,56 0.054,57 0.596,58 10.986,59 4.591,60 7.506,61 6.497,62 0.154,63 0.955,64 19.138,65 7.097,66 15.287,67 10.345,68 0.256,69 1.133,70 23.953,71 8.881,72 20.861,73 12.898,74 0.17,75 1.126,76 23.934,77 9.357,78 19.997,79 13.369,80 0.238,81 1.126,82 25.375,83 9.33,84 23.614,85 13.47,86 0.19,87 1,88 22.016,89 8.31,90 18.898,91 12.057,92 0.139,93 0.919,94 19.482,95 7.506,96 16.858,97 11.045,98 0.132,99 0.837,100 17.511,101 6.961,102 14.642,103 10.106,104 15,105 26,106 0.219,107 0.477,108 0.692,109 0.829,110 0.866,111 0.882,112 3.056,113 1.097,114 -5.08,115 -4.98,116 -4.66,119 40,120 2,121 2,125 4,140 7,141 2,142 1,169 11,172 4,178 12,181 1,182 4,189 9,193 4,199 6,203 5,211 3,215 4,222 1,226 4,233 4,237 1,244 8,256 11,259 500,260 13.983,261 13.983,262 13.983,263 13.983,264 13.983,265 12.696,266 11.721,267 8.782,268 14.268,269 10.291,270 10.291,271 10.291,272 10.291,273 10.291,274 8.411,275 13.893,276 4.022,277 10.7,278 4.248,279 2.78,280 1.56,281 0.778,282 0.567,283 0.478,284 3.723,288 1,289 1,290 393,291 3.391,295 104.278,299 89.279,302 1.35,303 8.049,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 41.5,315 190,316 4.493,317 3.168,318 6.505,319 4.013,320 3.03,321 4.43,322 0.86,323 10.195,324 2.98,325 3.533,326 2.806,327 5.307,328 3.392,329 2.473,330 2.909,331 0.8,332 6.809,333 2.271,334 3.445,335 2.4,336 5.197,337 3.07,338 2.119,339 2.465,341 6.238,342 2.009,343 3.118,344 1.623,345 4.174,346 2.618,347 1.618,348 2.427,350 3.817,351 1.618,352 2.772,353 1.618,354 3.62,355 2.461,356 1.476,357 1.905,359 2.961,360 1.452,361 2.522,362 1.44,363 3.537,364 2.28,365 1.293,366 1.524,368 2.773,369 1.276,370 2.408,371 1.265,372 3.38,373 2.153,374 1.207,375 1.394,377 2.454,378 1.13,379 2.102,380 0.922,381 3.172,382 1.8,383 0.819,384 1.034,386 1.804,387 0.8,388 1.478,389 0.591,390 2.646,391 1.442,392 0.467,393 0.47,395 0.645,396 0.454,397 1.295,398 0.367,399 2.433,400 1.095,401 0.153,402 0.166,404 0.285,405 0.143,406 0.948,407 -0.112,408 2.31,409 0.7,410 -0.271,411 -0.308,413 -0.495,414 -0.261,415 0.882,416 -0.496,417 2,418 0.382,419 -0.618,420 -0.798,422 -1.444,423 -0.618,424 0.585,425 -0.618,426 1.934,427 0.3,428 -0.662,429 -0.927,431 -1.478,432 -0.633,433 0.35,434 -0.857,435 1.57,436 -0.028,437 -1,438 -1.177,440 -2.097,441 -0.963,442 -0.079,443 -1.062,444 1.179,445 -0.22,446 -1.192,447 -1.402,449 -2.453,450 -1.154,451 9.733,452 0.487,453 0.239,454 0.012,455 22.25,456 1.113,457 10.5,458 0.525,459 11.75,460 0.588,461 16.957,462 0.848,463 22.667,464 0.504,465 13.137,466 0.657,467 4.227,468 0.211,469 5.62,470 0.281,471 0.103,473 0.195,479 0.914,480 1.395,481 1.022,482 1.253,483 0.976,484 1.16,485 1.505,486 1.091,487 1.098,488 1.027,489 1.096,490 1.022,491 1.361,492 0.851,493 0.975,494 0.863,495 0.973,496 0.881,497 1.208,498 1.161,499 1.068,500 1.157,501 0.998,502 1.111,503 1.651,504 0.898,505 1.017,506 0.892,507 1.312,508 0.909,509 1.396,510 0.976,511 1.031,512 0.943,513 1.26,514 0.963,515 0.858,516 0.958,517 0.901,518 0.911,519 0.871,520 0.908,521 0.991,522 0.843,523 0.967,524 0.861,525 1.02,526 0.904,527 2.5,528 0.054,529 1.778,530 0.938,531 0.556,532 0.292,533 0.202,534 0.172,535 0.119,536 0.093,537 3795,538 6774,539 2.024,540 55.6,541 5,542 15,547 5,550 1.615,551 1.935,552 3.229,553 -0.886,559 55.978,560 1.244,561 2.711,562 3.932,563 4.714,564 4.925,565 5.014,566 2.641,567 3.922,568 4.293,569 3.361,570 638.582,571 7.32,572 6807.4,574 1,577 247.133,578 1.157,579 4.273,580 0.119,581 0.007,582 0.068,583 0.035,584 0.024,585 0.015,586 0.013,587 0.011,588 0.007,589 0.007,590 0.306,591 0.67,592 1,593 2.177,594 90.259,595 0.072,596 -0.169,597 0.057,598 -0.082,599 0.023,600 -0.025,601 -0.096,602 0.033,603 -0.031,604 -0.001,605 0.003,606 -0.007,607 0.048,608 0.181,609 0.057,610 0.11,611 0.133,612 0.09,613 0.011,614 -0.164,615 -0.061,616 -0.158,617 0.088,618 -0.12,619 -0.106,620 0.029,621 -0.012,622 0.036,623 -0.054,624 0.021,625 -0.104,626 -0.044,627 -0.045,628 -0.002,629 -0.136,630 -0.02,631 0.004,632 -0.007,633 0.057,634 0.035,635 0.016,636 0.047,637 -0.104,638 0.134,639 0.001,640 0.112,641 -0.099,642 0.071,643 0.744,644 2.49,645 0.5,646 15.1,647 0.978,648 1.126,649 3.85,650 14.826,651 0.635,652 3.091,653 3.296,654 3.526,655 3.714,656 3.871,657 3.784,658 3.829,659 3.871,660 3.892,661 3.664,662 5.655,663 0.579,664 271.44,665 3.091,666 4.554,667 5.361,668 6.188,669 7.018,670 7.857,671 8.697,672 9.543,673 10.388,674 11.238,675 2.2,678 1,687 2,688 7,693 1,695 11,712 1,714 45,716 11,717 2,718 21,720 46,721 18,722 10,723 3,724 7,730 2,731 3,736 2,743 2,745 10,746 8,761 1,764 25,765 2,767 2,773 1,777 0.5,778 1,793 2,797 1,815 1,819 1,823 2,827 20,833 6,835 1,838 1,847 2.2,852 1,854 10.333,855 8.45,856 4.806,857 3.189,858 2.326,859 1.37,860 0.941,861 6.032,862 8.612,863 3.314,864 3.818,865 4.401,866 4.974,867 5.521,868 5.689,869 6.024,870 6.327,871 6.622,872 6.056,873 1,874 27,875 7.412,877 2.902,878 7.375,879 14.828,881 11.628,883 1.875,884 37.5,885 0.002,888 294.278,889 110.352,890 3.124,892 11,895 110.352,896 305.277,897 3.124,898 17.65,899 15.979,900 66.334,902 24.514,904 294.278,906 294.278,907 113.476,908 11,911 235.422,912 69.855,915 36.753,916 76.723,919 294.278,920 14.124,921 110.352,924 294.278,925 26.368,926 87.108,928 11,929 294.278,930 14.124,931 110.352,933 0.54,934 0.32,935 0.174,936 0.092,937 10,938 4,939 0.174,940 8,941 1,942 1.2,943 3.328,944 134.926,945 0.2,946 10,947 84.439,951 15.021,952 8.032,953 4.317,954 2.44,955 14.124,956 14.629,961 0.995,964 418.754,965 26.5,975 44.032,976 50.69,977 0.227,978 0.494,979 0.716,980 0.858,981 0.897,982 0.913,983 4.474,984 0.819,985 5.273,986 2.454,987 3.97,988 4.5,989 1.235,990 5.994,991 3.899,992 5.61,993 0.467,994 6.767,995 1.804,996 3.219,997 4.111,998 0.325,999 6.783,1000 3.099,1001 6.87,1002 0.153,1003 8.374,1004 0.645,1005 5.451,1006 6.682,1007 0.938,1008 9.879,1009 5.313,1010 8.178,1011 -0.271,1012 10.052,1013 0.285,1014 5.638,1015 7.291,1016 0.268,1017 11.599,1018 5.465,1019 9.53,1020 -0.618,1021 11.781,1022 -0.495,1023 7.233,1024 9.26,1025 0.732,1026 14.181,1027 7.049,1028 10.916,1029 -0.662,1030 13.543,1031 -1.444,1032 7.892,1033 10.347,1034 0.188,1035 16.263,1036 7.689,1037 12.327,1038 -1,1039 15.33,1040 -1.478,1041 9.202,1042 12.051,1043 0.57,1044 18.679,1045 8.991,1046 3.03,1047 -1.192,1048 17.135,1049 -2.097,1050 10.094,1051 13.36,1052 0.125,1053 20.904,1054 9.872,1055 2.473,1056 10.195,1057 18.954,1058 -2.453,1059 11.281,1060 14.946,1061 0.438,1062 23.262,1063 11.05,1064 2.119,1065 6.809,1066 20.784,1067 4.43,1068 12.285,1069 16.355,1070 0.082,1071 25.544,1072 12.045,1073 1.618,1074 6.238,1075 22.621,1076 2.909,1077 13.42,1078 17.887,1079 0.334,1080 27.881,1081 13.171,1082 1.476,1083 3.817,1084 24.466,1085 2.465,1086 14.477,1087 19.34,1088 0.054,1089 30.186,1090 14.218,1091 1.293,1092 2.961,1093 26.315,1094 2.427,1095 15.592,1096 20.849,1097 0.252,1098 32.514,1099 15.323,1100 1.207,1101 2.773,1102 28.169,1103 1.905,1104 16.674,1105 22.321,1106 0.035,1107 34.828,1108 16.394,1109 3878,1110 5309,1111 14.099,1112 28.597,1113 29.092,1114 29.622,1115 30.509,1116 29.314,1117 29.31,1118 37.448,1119 3.32,1120 75.96,1121 28.265,1122 5.414,1123 5.168,1124 6.372,1125 5.075,1126 5.03,1127 7.43,1128 1.72,1129 16.97,1130 4.98,1131 8.153,1132 1.385,1133 1.411,1134 1.453,1135 1.396,1136 1.396,1137 1.783,1138 0.158,1139 3.617,1140 1.346,1141 4.081,1142 4.099,1143 4.036,1144 4.035,1145 4.952,1146 4.033,1147 3.783,1148 3.858,1149 3.64,1150 3.606,1151 4.517,1152 3.601,1153 3.548,1154 3.622,1155 3.395,1156 3.399,1157 4.302,1158 3.391,1159 3.467,1160 3.515,1161 3.319,1162 3.351,1163 4.199,1164 3.334,1165 3.32,1166 3.395,1167 3.131,1168 3.133,1169 4.051,1170 3.119,1171 3.105,1172 3.2,1173 2.908,1174 2.94,1175 3.751,1176 2.926,1177 3.003,1178 3.062,1179 2.791,1180 2.859,1181 3.644,1182 2.829,1183 2.671,1184 2.755,1185 2.54,1186 2.574,1187 3.411,1188 2.56,1189 0.214,1190 0.151,1191 0.31,1192 0.191,1193 0.144,1194 4.493,1195 0.211,1196 3.168,1197 0.041,1198 6.505,1199 0.485,1200 4.013,1201 0.142,1202 3.03,1203 4.43,1204 0.86,1205 10.195,1206 2.98,1207 2.063,1208 2.047,1209 2.146,1210 2.125,1211 1.305,1212 2.132,1213 1.752,1214 1.68,1215 2.001,1216 1.96,1217 1.273,1218 1.976,1219 1.557,1220 1.486,1221 1.853,1222 1.766,1223 1.089,1224 1.802,1225 1.478,1226 1.431,1227 1.691,1228 1.627,1229 0.885,1230 1.65,1231 1.33,1232 1.255,1233 1.638,1234 1.541,1235 0.703,1236 1.579,1237 1.127,1238 1.038,1239 1.51,1240 1.382,1241 0.683,1242 1.431,1243 1.025,1244 0.969,1245 1.246,1246 1.175,1247 0.336,1248 1.202,1249 0.691,1250 0.639,1251 1.091,1252 0.97,1253 0.251,1254 1.016,1255 3.761,1257 4.99,1259 6.438,1261 7.994,1263 9.61,1265 4.452,1271 6.541,1273 5.99,1276 2.453,1280 26.058,1281 55.978,1282 122.017,1283 176.953,1284 212.114,1285 221.624,1286 225.624,1287 26.951,1288 6.286,1289 12.47,1290 12.47,1291 12,1292 11.797,1293 3.585,1294 2.7,1295 36.581,1296 68,1297 72,1298 0.266,1299 164.799,1300 280.03,1301 393.87,1302 3966,1304 14.209,1305 0.71,1306 0.632,1307 14.209,1308 12.64,1309 9.847,1310 0.469,1311 0.366,1312 7.612,1313 9.601,1314 7.369,1315 6.214,1316 9.847,1317 7.677,1318 7.747,1319 0.298,1320 0.197,1321 7.747,1322 5.114,1323 6.454,1324 0.196,1325 0.112,1326 6.454,1327 3.69,1328 5.144,1329 0.129,1330 0.06,1331 5.144,1332 2.416,1333 4.062,1334 0.086,1335 0.034,1336 4.062,1337 1.596,1338 0.42,1339 60.602,1340 0.266,1341 20.274,1342 0.712,1343 94,1344 213.381,1345 99.625,1346 207.524,1347 290.77,1348 198,1349 106,1350 214.567,1351 112.041,1352 218.14,1353 317.95,1354 207,1355 6.951} {0 CHEMBL138958,1 1.35,2 7.067,3 2.325,4 5.405,5 61.696,6 6.71,7 0.688,8 3.474,9 3.596,10 2.959,11 3.031,12 4.505,13 2.987,14 3.977,15 4.16,16 3.203,17 3.363,18 4.926,19 3.292,20 4.165,21 4.386,22 3.23,23 3.44,24 5.061,25 3.34,26 4.097,27 4.318,28 3.061,29 3.323,30 4.979,31 3.205,32 4.029,33 4.273,34 2.805,35 3.184,36 4.84,37 3.037,38 3.852,39 4.116,40 2.563,41 3.034,42 4.595,43 2.849,44 3.759,45 4.052,46 2.364,47 2.868,48 4.489,49 2.665,50 3.583,51 3.901,52 1.943,53 2.617,54 4.263,55 2.374,56 0.031,57 0.398,58 6.777,59 2.892,60 5.472,61 3.921,62 0.11,63 0.622,64 11.9,65 4.525,66 11.945,67 6.199,68 0.18,69 0.701,70 14.678,71 5.724,72 17.084,73 7.826,74 0.109,75 0.642,76 13.654,77 5.424,78 15.917,79 7.356,80 0.144,81 0.59,82 12.997,83 4.865,84 16,85 6.684,86 0.069,87 0.528,88 10.552,89 4.122,90 10,91 6.018,92 0.063,93 0.479,94 9.696,95 3.618,96 10.167,97 5.44,98 0.063,99 0.386,100 8.206,101 3.014,102 9.5,103 4.553,104 6,105 20,106 0.26,107 0.554,108 0.702,109 0.802,110 0.864,111 0.889,112 2.794,113 0.969,114 -3.83,115 -3.79,116 -3.6,119 43.3,124 1,125 2,140 7,141 2,142 1,169 9,172 2,178 11,182 3,184 1,189 9,193 3,199 5,203 1,208 2,211 2,220 3,231 3,242 1,259 228,260 10.544,261 10.544,262 10.544,263 10.544,264 10.544,265 9.257,266 8.366,267 6.725,268 10.768,269 7.897,270 7.897,271 7.897,272 7.897,273 7.897,274 6.017,275 9.52,276 3.15,277 8.208,278 3.557,279 2.032,280 1.264,281 0.742,282 0.425,283 0.292,284 3.452,288 1,289 1,290 221,291 2.345,295 65.893,299 56.662,302 1.013,303 6.307,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 31.5,315 106,316 4.493,317 3.165,318 6.505,319 4.013,320 3.03,321 4.43,322 0.86,323 10.194,324 2.98,325 3.514,326 2.438,327 5.203,328 3.088,329 2.141,330 2.908,331 0.4,332 6.251,333 2.021,334 3.118,335 1.885,336 4.178,337 2.618,338 1.618,339 2.427,341 3.828,342 1.618,343 2.777,344 1.618,345 3.661,346 2.553,347 1.618,348 1.908,350 3.171,351 1.504,352 2.676,353 1.362,354 3.566,355 2.27,356 1.272,357 1.689,359 2.805,360 1.269,361 2.349,362 1.246,363 3.286,364 1.946,365 1,366 1.299,368 2.127,369 0.939,370 1.777,371 0.834,372 2.787,373 1.543,374 0.618,375 0.705,377 1.113,378 0.568,379 1.128,380 0.104,381 2.332,382 0.808,383 -0.136,384 -0.158,386 -0.253,387 -0.127,388 0.882,389 -0.341,390 2,391 0.382,392 -0.618,393 -0.762,395 -1.232,396 -0.58,397 0.655,398 -0.618,399 2,400 0.33,401 -0.618,402 -0.927,404 -1.478,405 -0.618,406 0.384,407 -0.849,408 1.645,409 -0.032,410 -1,411 -1.324,413 -2.258,414 -0.959,415 -0.086,416 -1.219,417 1.178,418 -0.462,419 -1.399,420 -1.638,422 -2.918,423 -1.314,424 -0.326,425 -1.455,426 0.775,427 -0.631,428 -1.618,429 -2.084,431 -4.343,432 -1.583,433 -0.5,434 -1.652,435 0.482,436 -1,437 -1.908,438 -2.471,440 -4.829,441 -1.718,442 -0.5,443 -2,444 0.311,445 -1,446 -2,447 -3,448 -0.4,449 -5.404,450 -2,451 7.233,452 0.482,453 0.171,454 0.011,455 19.5,456 1.3,457 10.5,458 0.7,459 9,460 0.6,461 8.678,462 0.579,463 16.167,464 0.539,465 11.247,466 0.75,467 4.133,468 0.276,469 3.282,470 0.219,471 0.069,473 0.207,479 0.944,480 1.195,481 0.897,482 1.086,483 0.963,484 0.997,485 1.483,486 0.914,487 1.059,488 0.925,489 1.278,490 0.935,491 1.237,492 0.821,493 0.934,494 0.888,495 1.032,496 0.886,497 1.351,498 1.075,499 1.035,500 1.109,501 1.099,502 1.061,503 1.645,504 0.984,505 1.148,506 0.972,507 1.47,508 1.018,509 0.611,510 1.229,511 1.081,512 1.163,513 0.829,514 1.167,515 0.455,516 1.18,517 1,518 1.089,519 0.681,520 1.09,521 0.496,522 0.967,523 1.014,524 0.987,525 0.781,526 1.03,527 1.5,529 1.333,530 0.688,531 0.476,532 0.181,533 0.121,534 0.087,535 0.053,536 0.016,537 1590,538 3535,539 2.071,540 50,542 14,545 1,550 1.53,551 2,552 2.826,553 -0.33,557 1,559 40.498,560 1.35,561 2.875,562 3.643,563 4.165,564 4.482,565 4.615,566 2.257,567 3.774,568 3.872,569 2.904,570 304.918,571 6.491,572 2492.53,574 1,577 147.207,578 1.053,579 3.867,580 0.094,582 0.067,583 0.034,584 0.03,585 0.015,586 0.013,587 0.012,588 0.013,589 0.016,590 0.294,591 0.83,592 1,593 1.563,594 58.687,595 -0.004,596 -0.058,597 0.047,598 -0.033,599 -0.047,600 0.008,601 -0.173,602 0.165,603 -0.07,604 0.061,605 -0.172,606 0.021,607 0.07,608 0.155,609 0.058,610 0.096,611 0.097,612 0.079,613 -0.048,614 -0.138,615 -0.051,616 -0.122,617 0.05,618 -0.093,619 -0.21,620 -0.061,621 -0.146,622 -0.014,623 -0.247,624 -0.071,625 -0.029,626 -0.26,627 -0.15,628 -0.204,629 -0.087,630 -0.195,631 0.021,632 -0.213,633 -0.067,634 -0.158,635 0.031,636 -0.128,637 -0.018,638 -0.029,639 -0.076,640 -0.071,641 -0.037,642 -0.075,643 0.801,644 2.197,645 0.667,646 8.667,647 0.987,648 1.12,649 2.601,650 6.763,651 0.66,652 2.833,653 3.045,654 3.296,655 3.526,656 3.714,657 3.611,658 3.611,659 3.555,660 3.466,661 2.944,662 4.182,663 0.614,664 201.29,665 2.833,666 4.29,667 5.106,668 5.943,669 6.786,670 7.638,671 8.491,672 9.349,673 10.206,674 11.067,675 3.3,677 1,687 2,688 7,693 1,695 11,712 1,714 30,716 11,717 2,718 16,720 31,721 13,722 10,723 3,724 7,730 2,731 3,745 10,746 3,761 1,764 15,765 2,766 1,767 2,773 1,777 0.5,778 1,793 2,797 1,814 1,819 1,823 1,827 15,833 2,834 1,835 1,847 3.3,852 1,854 7.5,855 5.5,856 3.556,857 1.764,858 2.369,859 1.407,860 0.969,861 3.328,862 8.189,863 3.114,864 3.676,865 4.311,866 4.925,867 5.493,868 5.661,869 5.987,870 6.27,871 6.543,872 5.793,873 0.8,874 20,875 5.518,876 -0.001,877 2.185,878 7.5,879 10.781,881 8.372,883 2,884 30,885 0.007,888 164.795,889 91.818,890 18.011,892 11,895 91.818,896 175.795,897 18.011,898 8.396,899 6.698,900 84.344,902 21.389,904 164.795,906 164.795,907 109.828,908 11,911 164.795,912 11,915 24.709,916 85.119,919 164.795,920 29.011,921 91.818,924 164.795,925 17.087,926 74.73,927 18.011,928 11,929 164.795,930 29.011,931 91.818,933 0.54,934 0.316,935 0.18,936 0.099,937 9,938 3,939 0.129,940 4,941 1,942 1.2,943 2.813,944 92.844,945 0.2,946 10,947 56.603,951 10.152,952 4.917,953 2.35,954 2.399,955 29.011,956 14.395,961 0.961,963 18.011,964 285.624,965 21.5,975 29.614,976 33.614,977 0.275,978 0.586,979 0.742,980 0.849,981 0.913,982 0.941,983 4.259,984 -0.136,985 5.017,986 1.113,987 3.714,988 4.357,989 1.029,990 5.759,991 3.651,992 5.421,993 -0.618,994 6.518,995 -0.253,996 2.944,997 4.007,999 6.581,1000 2.879,1001 6.697,1002 -0.618,1003 8.137,1004 -1.232,1005 5.198,1006 6.615,1007 0.763,1008 9.723,1009 5.094,1010 8.025,1011 -1,1012 9.835,1013 -1.478,1014 5.398,1015 7.249,1017 11.489,1018 5.293,1019 9.397,1020 -1.399,1021 11.585,1022 -2.258,1023 7.017,1024 9.234,1025 0.597,1026 14.1,1027 6.887,1028 10.803,1029 -1.618,1030 13.37,1031 -2.918,1032 7.708,1033 10.332,1035 16.209,1036 7.574,1037 12.233,1038 -1.908,1039 15.18,1040 -4.343,1041 9.036,1042 12.042,1043 0.47,1044 18.641,1045 8.885,1046 3.03,1047 -2,1048 17.007,1049 -4.829,1050 9.96,1051 13.355,1053 20.879,1054 9.798,1055 2.141,1056 10.194,1057 18.845,1058 -5.404,1059 11.161,1060 14.943,1061 0.367,1062 23.245,1063 10.985,1064 1.618,1065 6.251,1066 20.692,1067 4.43,1068 12.19,1069 16.353,1071 25.532,1072 12,1073 1.618,1074 3.828,1075 22.544,1076 2.908,1077 13.336,1078 17.886,1079 0.283,1080 27.873,1081 13.133,1082 1.272,1083 3.171,1084 24.402,1085 2.427,1086 14.41,1087 19.34,1089 30.18,1090 14.191,1091 1,1092 2.805,1093 26.262,1094 1.908,1095 15.535,1096 20.848,1097 0.217,1098 32.51,1099 15.301,1100 0.618,1101 2.127,1102 28.125,1103 1.689,1104 16.628,1105 22.321,1107 34.826,1108 16.378,1109 1652,1110 2520,1111 10.92,1112 19.79,1113 22.595,1114 22.894,1115 23.372,1116 22.585,1117 22.595,1118 30.731,1119 2.52,1120 58.978,1121 21.8,1122 5.333,1123 5.165,1124 6.415,1125 5.038,1126 5.03,1127 7.43,1128 1.72,1129 16.969,1130 4.98,1131 4.759,1132 1.412,1133 1.431,1134 1.461,1135 1.412,1136 1.412,1137 1.921,1138 0.158,1139 3.686,1140 1.362,1141 4.08,1142 4.097,1143 4.035,1144 4.034,1145 4.952,1146 4.032,1147 3.617,1148 3.697,1149 3.47,1150 3.413,1151 4.529,1152 3.415,1153 3.454,1154 3.502,1155 3.337,1156 3.336,1157 4.312,1158 3.33,1159 3.177,1160 3.254,1161 3.021,1162 2.977,1163 4.165,1164 2.977,1165 2.984,1166 3.049,1167 2.791,1168 2.83,1169 3.705,1170 2.806,1171 2.667,1172 2.724,1173 2.539,1174 2.574,1175 3.41,1176 2.559,1177 2.566,1178 2.652,1179 2.352,1180 2.359,1181 3.325,1182 2.347,1183 2.337,1184 2.468,1185 2.007,1186 2.031,1187 3,1188 2.005,1189 0.281,1190 0.198,1191 0.407,1192 0.251,1193 0.189,1194 4.493,1195 0.277,1196 3.165,1197 0.054,1198 6.505,1199 0.637,1200 4.013,1201 0.186,1202 3.03,1203 4.43,1204 0.86,1205 10.194,1206 2.98,1207 2.063,1208 2.047,1209 2.146,1210 2.125,1211 1.277,1212 2.132,1213 1.568,1214 1.5,1215 1.836,1216 1.832,1217 1.039,1218 1.84,1219 1.465,1220 1.413,1221 1.657,1222 1.596,1223 0.689,1224 1.618,1225 1.154,1226 1.076,1227 1.524,1228 1.433,1229 0.608,1230 1.465,1231 1.013,1232 0.947,1233 1.244,1234 1.165,1235 0.333,1236 1.195,1237 0.69,1238 0.639,1239 0.957,1240 0.871,1241 0.091,1242 0.904,1243 0.555,1244 0.479,1245 0.948,1246 0.835,1247 0.06,1248 0.877,1249 0.367,1250 0.232,1251 0.826,1252 0.678,1254 0.736,1255 3.497,1257 4.727,1259 6.192,1261 7.777,1263 9.425,1265 1.923,1271 1.563,1272 3.061,1273 5.697,1280 18.424,1281 40.498,1282 86.252,1283 109.291,1284 124.942,1285 134.452,1286 138.452,1287 14.681,1288 5.82,1289 21.26,1290 21.26,1291 12,1292 11.618,1293 3.585,1294 2.7,1295 23.602,1296 36,1297 45,1298 0.331,1299 116.838,1300 193.53,1301 276.844,1302 2036,1304 10.51,1305 0.701,1306 0.591,1307 10.51,1308 8.864,1309 7.415,1310 0.463,1311 0.323,1312 5.106,1313 7.192,1314 4.954,1315 4.164,1316 7.415,1317 5.168,1318 5.895,1319 0.295,1320 0.171,1321 5.895,1322 3.429,1323 4.902,1324 0.189,1325 0.091,1326 4.902,1327 2.359,1328 4.087,1329 0.124,1330 0.048,1331 4.087,1332 1.585,1333 3.293,1334 0.082,1335 0.027,1336 3.293,1337 1.063,1338 0.499,1339 46.002,1340 0.303,1341 15.249,1342 0.958,1343 72,1344 186.068,1345 76.598,1346 180.746,1347 251.35,1348 172,1349 82,1350 183.3,1351 86.709,1352 187.498,1353 272.19,1354 177,1355 7.469} {0 CHEMBL138989,1 1.382,2 8.12,3 2.543,4 6.467,5 100.97,6 6.71,7 0.345,8 4.013,9 4.144,10 3.52,11 3.579,12 4.944,13 3.535,14 4.614,15 4.81,16 3.923,17 4.036,18 5.462,19 3.969,20 4.904,21 5.12,22 4.028,23 4.234,24 5.766,25 4.139,26 5.035,27 5.271,28 4.018,29 4.274,30 5.94,31 4.154,32 5.018,33 5.263,34 3.859,35 4.201,36 5.893,37 4.056,38 4.965,39 5.238,40 3.727,41 4.079,42 5.779,43 3.923,44 4.852,45 5.146,46 3.543,47 3.924,48 5.628,49 3.767,50 4.6,51 4.851,52 3.372,53 3.793,54 5.442,55 3.616,56 0.048,57 0.752,58 11.698,59 4.794,60 7.951,61 6.811,62 0.207,63 1.294,64 22.37,65 8.241,66 16.205,67 12.085,68 0.231,69 1.64,70 30.316,71 11.206,72 25.093,73 16.243,74 0.362,75 1.756,76 35.199,77 13.161,78 44.576,79 18.764,80 0.326,81 1.684,82 34.785,83 12.983,84 49.192,85 18.475,86 0.287,87 1.585,88 33.255,89 11.686,90 39.369,91 17.255,92 0.321,93 1.388,94 30.122,95 9.924,96 35.849,97 14.889,98 0.205,99 1.1,100 22.513,101 9.097,102 29.429,103 12.97,104 17,105 45,106 0.233,107 0.611,108 0.827,109 0.843,110 0.843,111 0.843,112 3.269,113 0.97,114 -3.78,115 -3.75,116 -3.56,119 42,120 2,121 2,122 1,124 1,125 1,127 3,134 1,135 1,140 3,141 3,149 1,150 1,156 1,169 9,171 1,172 8,176 3,178 13,182 5,186 3,189 11,192 2,193 7,197 2,199 13,203 3,206 1,208 1,211 7,215 10,220 1,222 4,226 4,233 3,237 2,240 2,244 9,256 6,259 765,260 16.878,261 16.878,262 16.878,263 16.878,264 16.878,265 15.478,266 22.422,267 9.385,268 17.125,269 14.289,270 14.289,271 14.289,272 14.289,273 14.289,274 12.002,275 34.066,276 4.419,277 14.672,278 4.262,279 2.022,280 0.74,281 0.645,282 0.645,283 0.645,284 3.976,287 1,288 1,289 1,290 462,291 2.915,293 47.979,294 38.643,295 125.725,298 132.42,299 140.277,300 81.288,302 1.254,303 17.72,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 52.5,315 203,316 4.718,317 3.923,318 7.026,319 4.345,320 3.359,321 4.634,322 2.015,323 12.06,324 3.316,325 4.327,326 3.52,327 6.839,328 4.172,329 3.211,330 3.57,331 0.916,332 11.201,333 3.085,334 4.09,335 3.075,336 6.409,337 3.823,338 2.858,339 3.325,340 0.625,341 9.788,342 2.758,343 3.568,344 2.936,345 5.789,346 3.393,347 2.394,348 2.83,349 0.172,350 7.743,351 2.383,352 3.52,353 2.449,354 5.636,355 3.255,356 2.278,357 2.688,358 0.111,359 7.294,360 2.226,361 3.294,362 2.202,363 5.105,364 2.918,365 1.945,366 2.458,368 5.876,369 1.886,370 2.92,371 2.064,372 4.638,373 2.441,374 1.475,375 1.984,377 4.407,378 1.421,379 2.668,380 1.643,381 4.437,382 2.39,383 1.414,384 1.727,386 3.865,387 1.377,388 2.516,389 1.524,390 4.414,391 2.348,392 1.343,393 1.462,395 3.717,396 1.342,397 2.414,398 1.28,399 3.861,400 2.185,401 1.188,402 1.414,404 2.885,405 1.182,406 2.241,407 0.905,408 3.637,409 1.793,410 0.846,411 1.14,413 2.141,414 0.799,415 1.556,416 0.855,417 3.368,418 1.283,419 0.298,420 0.357,422 0.881,423 0.292,424 1.422,425 0.336,426 3.039,427 1.092,428 0.077,429 0.094,431 0.207,432 0.077,433 0.945,434 -0.095,435 2.778,436 0.608,437 -0.374,438 -0.42,440 -1.038,441 -0.365,442 0.769,443 -0.164,444 2.59,445 0.466,446 -0.51,447 -0.588,449 -1.429,450 -0.495,451 12.033,452 0.481,453 0.802,454 0.032,455 27.75,456 1.11,457 11,458 0.44,459 16.75,460 0.67,461 25.536,462 1.021,463 26.967,464 0.539,465 18.877,466 0.755,467 4.983,468 0.199,469 7.059,470 0.282,471 0.152,473 0.482,479 0.769,480 1.359,481 0.859,482 1.096,483 0.579,484 0.999,485 0.886,486 1.045,487 0.882,488 0.891,489 0.541,490 0.875,491 1.13,492 1.074,493 1.037,494 1.03,495 0.925,496 1.017,497 1.18,498 1.008,499 1.019,500 1.027,501 1.421,502 1.017,503 1.327,504 1.096,505 1.118,506 1.111,507 1.692,508 1.11,509 1.17,510 1.071,511 1.031,512 1.025,513 1.2,514 1.017,515 1.354,516 0.77,517 1.013,518 0.795,519 1.12,520 0.85,521 0.633,522 1.131,523 1.086,524 1.261,525 0.852,526 1.233,527 5,528 0.069,529 3.444,530 2.847,531 1.986,532 0.851,533 0.627,534 0.43,535 0.234,536 0.171,537 6866,538 13098,539 2.175,540 50,542 12,543 1,545 1,546 1,547 8,548 2,550 1.685,551 2,552 3.046,553 -0.396,554 1,555 1,559 69.103,560 1.382,561 3.622,562 4.903,563 4.999,564 4.999,565 4.999,566 2.44,567 4.324,568 4.619,569 3.196,570 958.856,571 8.013,572 10978,574 1,576 1,577 282.193,578 1.462,579 4.564,580 0.172,581 0.008,582 0.08,583 0.062,584 0.045,585 0.024,586 0.02,587 0.017,588 0.011,589 0.011,590 0.45,591 0.67,592 0.88,593 0.609,594 116.996,595 0.014,596 -0.15,597 0.086,598 -0.014,599 -0.027,600 0.032,601 0.046,602 0.099,603 0.092,604 0.12,605 0.037,606 0.114,607 -0.1,608 0.005,609 -0.058,610 -0.029,611 -0.028,612 -0.034,613 0.024,614 -0.011,615 -0.028,616 -0.032,617 -0.005,618 -0.036,619 -0.087,620 -0.131,621 -0.126,622 -0.121,623 -0.137,624 -0.131,625 -0.066,626 -0.112,627 -0.038,628 -0.069,629 -0.067,630 -0.054,631 -0.151,632 0.192,633 -0.002,634 0.127,635 -0.012,636 0.091,637 0.17,638 -0.184,639 -0.133,640 -0.246,641 0.106,642 -0.226,643 1.365,644 6.108,645 0.8,646 17.344,647 0.987,648 1.125,649 2.553,650 6.518,651 0.657,652 3.401,653 3.829,654 4.22,655 4.554,656 4.804,657 5.004,658 5.257,659 5.464,660 5.617,661 5.71,662 5.186,663 0.611,664 335.49,665 3.401,666 5.004,667 5.922,668 6.862,669 7.791,670 8.733,671 9.667,672 10.609,673 11.545,674 12.488,675 6,678 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 50,715 1,716 12,717 1,718 29,720 54,721 21,722 8,723 3,724 3,725 2,730 5,731 13,736 2,740 5,741 1,743 5,745 11,746 10,747 1,750 2,755 1,757 1,759 2,760 1,761 1,764 25,765 3,766 1,767 4,773 3,777 0.4,778 1,788 1,791 1,792 1,793 3,796 2,797 2,798 1,806 1,810 1,811 1,815 1,819 2,823 3,827 25,833 3,837 4,838 2,847 2,850 1,854 12.5,855 9.817,856 5.194,857 3.279,858 2.545,859 1.312,860 1.014,861 3.335,862 10.696,863 3.611,864 4.238,865 4.882,866 5.504,867 6.011,868 6.427,869 6.91,870 7.353,871 7.613,872 7.95,873 1,874 46,875 9.347,877 4.202,878 7.473,879 18.643,881 16.923,883 1.973,884 49.333,887 1,888 282.506,889 99.152,890 23.034,892 25.145,895 99.152,896 307.651,897 23.034,898 26.047,899 10.299,900 46.952,901 29.85,902 32.04,903 13.915,904 270.735,906 282.506,907 122.187,908 25.145,911 164.795,912 142.856,915 47.859,916 64.851,917 9.476,919 282.506,920 48.179,921 99.152,924 282.506,925 26.153,926 79.248,927 16.786,928 25.145,929 282.506,930 48.179,931 99.152,933 0.609,934 0.382,935 0.215,936 0.108,937 27,938 12,939 0.019,940 1,941 4,942 1.35,943 3.609,944 235.951,945 0.4,946 19,947 112.096,951 15.51,952 5.376,953 2.145,954 2.546,955 31.394,956 8.626,958 3.406,961 2.702,963 16.786,964 429.838,965 36,970 13.108,972 2.273,974 1.64,975 49.352,976 56.272,977 0.245,978 0.642,979 0.869,980 0.886,981 0.886,982 0.886,983 4.931,984 1.414,985 5.958,986 4.407,987 4.511,988 4.924,989 2.314,990 6.887,991 4.462,992 6.152,993 1.343,994 7.591,995 3.865,996 4.29,997 4.856,998 1.738,999 7.974,1000 4.217,1001 7.494,1002 1.188,1003 9.322,1004 3.717,1005 6.236,1006 7.135,1007 3.192,1008 11.166,1009 6.138,1010 8.869,1011 0.846,1012 11.109,1013 2.885,1014 6.825,1015 7.931,1016 3.273,1017 13.065,1018 6.7,1019 10.279,1020 0.298,1021 12.932,1022 2.141,1023 8.274,1024 9.723,1025 4.394,1026 15.774,1027 8.126,1028 11.713,1029 0.077,1030 14.779,1031 0.881,1032 9.209,1033 10.92,1034 4.768,1035 18.002,1036 9.036,1037 13.165,1038 -0.374,1039 16.644,1040 0.207,1041 10.481,1042 12.537,1043 5.706,1044 20.547,1045 10.287,1046 3.359,1047 -0.51,1048 18.523,1049 -1.038,1050 11.562,1051 13.919,1052 6.226,1053 22.91,1054 11.347,1055 3.211,1056 12.06,1057 20.411,1058 -1.429,1059 12.773,1060 15.475,1061 7.061,1062 25.399,1063 12.538,1064 2.858,1065 11.201,1066 22.308,1067 4.634,1068 13.915,1069 16.94,1070 7.661,1071 27.82,1072 13.661,1073 2.394,1074 9.788,1075 24.211,1076 3.57,1077 15.108,1078 18.476,1079 8.437,1080 30.292,1081 14.836,1082 2.278,1083 7.743,1084 26.119,1085 3.325,1086 16.277,1087 19.978,1088 9.08,1089 32.739,1090 15.987,1091 1.945,1092 7.294,1093 28.032,1094 2.83,1095 17.465,1096 21.509,1097 9.824,1098 35.206,1099 17.16,1100 1.475,1101 5.876,1102 29.948,1103 2.688,1104 18.647,1105 23.028,1106 10.492,1107 37.666,1108 18.325,1109 6333,1110 8840,1111 19.422,1112 32.847,1113 46.234,1114 46.684,1115 47.832,1116 45.416,1117 45.373,1118 55.366,1119 7.679,1120 144.129,1121 44.29,1122 5.718,1123 5.923,1124 6.552,1125 5.398,1126 5.359,1127 7.634,1128 3.529,1129 19.72,1130 5.316,1131 12.258,1132 1.594,1133 1.61,1134 1.649,1135 1.566,1136 1.565,1137 1.909,1138 0.265,1139 4.97,1140 1.527,1141 4.186,1142 4.217,1143 4.146,1144 4.115,1145 7.427,1146 4.119,1147 3.944,1148 3.997,1149 3.864,1150 3.79,1151 4.975,1152 3.8,1153 3.767,1154 3.826,1155 3.67,1156 3.633,1157 4.45,1158 3.634,1159 3.448,1160 3.498,1161 3.345,1162 3.348,1163 4.358,1164 3.341,1165 3.298,1166 3.351,1167 3.2,1168 3.124,1169 4.274,1170 3.134,1171 3.221,1172 3.304,1173 3.058,1174 3.024,1175 3.925,1176 3.021,1177 3.201,1178 3.304,1179 2.932,1180 3.015,1181 3.79,1182 2.981,1183 2.868,1184 2.946,1185 2.724,1186 2.656,1187 3.715,1188 2.652,1189 0.163,1190 0.135,1191 0.242,1192 0.15,1193 0.116,1194 4.718,1195 0.16,1196 3.923,1197 0.069,1198 7.026,1199 0.416,1200 4.345,1201 0.114,1202 3.359,1203 4.634,1204 2.015,1205 12.06,1206 3.316,1207 2.045,1208 2.024,1209 2.134,1210 2.133,1211 1.449,1212 2.135,1213 1.883,1214 1.831,1215 2.059,1216 2.048,1217 1.395,1218 2.054,1219 1.739,1220 1.69,1221 1.895,1222 1.905,1223 1.108,1224 1.906,1225 1.537,1226 1.488,1227 1.717,1228 1.711,1229 0.945,1230 1.717,1231 1.258,1232 1.177,1233 1.632,1234 1.508,1235 0.764,1236 1.542,1237 1.247,1238 1.149,1239 1.566,1240 1.486,1241 0.658,1242 1.527,1243 1.101,1244 1.021,1245 1.37,1246 1.338,1247 0.475,1248 1.362,1249 1.025,1250 0.993,1251 1.303,1252 1.188,1253 0.427,1254 1.216,1255 4.078,1257 5.509,1258 2.398,1259 7.143,1260 4.727,1261 8.864,1262 6.862,1263 10.629,1265 6.486,1271 2.967,1275 1.117,1276 4.461,1280 30.574,1281 69.103,1282 181.118,1283 245.173,1284 249.928,1285 249.928,1286 249.928,1287 36.439,1288 8.151,1289 39.34,1290 39.34,1291 27,1292 12.983,1293 3.7,1294 3,1295 31.941,1296 79,1297 68,1298 0.206,1299 182.057,1300 314.21,1301 435.98,1302 37538,1304 17.292,1305 0.692,1306 0.605,1307 17.292,1308 15.12,1309 12.042,1310 0.415,1311 0.323,1312 9.287,1313 11.71,1314 8.967,1315 7.385,1316 12.042,1317 9.378,1318 11.669,1319 0.259,1320 0.18,1321 11.669,1322 8.109,1323 10.667,1324 0.159,1325 0.097,1326 10.667,1327 6.472,1328 9.67,1329 0.103,1330 0.055,1331 9.67,1332 5.143,1333 7.45,1334 0.062,1335 0.028,1336 7.45,1337 3.411,1338 0.31,1339 74.441,1340 0.227,1341 23.474,1342 0.606,1343 148,1344 315.359,1345 157.097,1346 311.213,1347 444.53,1348 294,1349 186,1350 344.242,1351 196.319,1352 351.677,1353 527.8,1354 333,1355 8.699} {0 CHEMBL139438,1 1.215,2 10,3 4.895,4 23.96,5 101.647,6 6.836,7 0.778,8 3.906,9 4.031,10 3.429,11 3.53,12 4.91,13 3.476,14 4.435,15 4.624,16 3.767,17 3.935,18 5.343,19 3.864,20 4.653,21 4.855,22 3.782,23 4.096,24 5.523,25 3.974,26 4.78,27 5.036,28 3.651,29 4.059,30 5.549,31 3.895,32 4.676,33 4.954,34 3.562,35 3.916,36 5.419,37 3.768,38 4.487,39 4.711,40 3.549,41 3.871,42 5.327,43 3.742,44 4.522,45 4.755,46 3.421,47 3.849,48 5.336,49 3.686,50 4.47,51 4.748,52 3.242,53 3.686,54 5.196,55 3.508,56 0.049,57 0.619,58 10.039,59 4.277,60 8.756,61 6.011,62 0.14,63 1.064,64 18.123,65 6.873,66 13.962,67 9.839,68 0.152,69 1.27,70 22.558,71 9.597,72 18.721,73 13.569,74 0.13,75 1.389,76 26.49,77 11.346,78 23.429,79 16.199,80 0.162,81 1.277,82 24.419,83 9.63,84 20.995,85 13.915,86 0.107,87 1.059,88 19.344,89 8.131,90 16.648,91 11.574,92 0.1,93 1.082,94 20.109,95 8.66,96 18.655,97 12.313,98 0.106,99 1.012,100 19.709,101 8.247,102 17.405,103 11.84,104 8,105 38,106 0.206,107 0.476,108 0.644,109 0.791,110 0.828,111 0.85,112 3.229,113 0.937,114 -5.4,115 -5.28,116 -4.93,119 47.8,124 2,125 2,140 11,141 5,149 1,150 1,169 17,172 3,178 23,181 1,182 2,189 23,193 2,199 16,203 5,211 13,215 4,222 11,226 4,233 8,237 4,244 5,249 3,256 3,259 788,260 16.447,261 16.447,262 16.447,263 16.447,264 16.447,265 14.114,266 7.634,267 9.712,268 16.67,269 13.357,270 13.357,271 13.357,272 13.357,273 13.357,274 9.825,275 7.5,276 4.644,277 13.701,278 4.309,279 2.718,280 1.73,281 0.859,282 0.642,283 0.511,284 3.931,288 1,289 1,290 528,291 2.915,294 50.266,295 168.803,298 87.722,299 96.482,302 1.5,303 6.405,305 1,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 49,315 240,316 4.577,317 3.156,318 6.568,319 4.105,320 3.128,321 4.526,322 0.8,323 10.443,324 3.066,325 4.414,326 2.951,327 6.262,328 3.93,329 2.94,330 4.339,332 9.474,333 2.905,334 3.963,335 2.62,336 5.962,337 3.569,338 2.578,339 3.495,341 8.436,342 2.553,343 3.419,344 2.535,345 5.143,346 3.164,347 2.237,348 2.74,350 6.072,351 2.073,352 3.15,353 2.037,354 4.625,355 2.861,356 1.918,357 2.427,359 5.024,360 1.801,361 3.118,362 1.618,363 4.506,364 2.618,365 1.618,366 2.379,368 4.551,369 1.618,370 3.085,371 1.587,372 4.348,373 2.586,374 1.587,375 2.182,377 4.179,378 1.585,379 2.844,380 1.356,381 4.086,382 2.347,383 1.352,384 2.012,386 3.337,387 1.346,388 2.667,389 1.236,390 3.609,391 2.191,392 1.208,393 1.743,395 2.936,396 1.185,397 2.216,398 0.864,399 3.286,400 1.796,401 0.814,402 1.102,404 1.871,405 0.798,406 2.125,407 0.66,408 3.162,409 1.651,410 0.654,411 0.955,413 1.532,414 0.652,415 1.578,416 0.429,417 2.886,418 1.335,419 0.365,420 0.438,422 0.854,423 0.354,424 1.093,425 -0.283,426 2.685,427 0.671,428 -0.323,429 -0.436,431 -0.817,432 -0.32,433 0.882,434 -0.535,435 2.284,436 0.382,437 -0.618,438 -0.859,440 -1.577,441 -0.618,442 0.763,443 -0.6,444 2.153,445 0.324,446 -0.656,447 -0.927,449 -1.651,450 -0.639,451 11.8,452 0.492,453 0.554,454 0.023,455 33,456 1.375,457 18,458 0.75,459 15,460 0.625,461 16.989,462 0.708,463 24.2,464 0.526,465 22.481,466 0.937,467 6.653,468 0.277,469 5.05,470 0.21,471 0.085,473 0.322,479 0.991,480 1.235,481 0.857,482 1.008,483 0.999,484 0.941,485 1.884,486 0.823,487 0.958,488 0.742,489 0.906,490 0.787,491 1.034,492 0.987,493 1.104,494 1.062,495 0.994,496 1.083,497 0.706,498 1.069,499 0.971,500 1.06,501 0.988,502 1.036,503 1.236,504 0.825,505 0.875,506 0.792,507 0.86,508 0.809,509 1.026,510 1.014,511 1.013,512 1.012,513 0.916,514 1.012,515 0.861,516 1.192,517 1.154,518 1.22,519 1.233,520 1.207,521 0.795,522 0.988,523 0.934,524 0.982,525 0.926,526 0.969,527 4.5,528 0.071,529 2.889,530 1.042,531 1.169,532 0.788,533 0.443,534 0.255,535 0.266,536 0.089,537 6626,538 13047,539 2.161,540 47.8,542 21,543 1,550 1.669,551 2.057,552 3.314,553 -0.905,559 55.869,560 1.215,561 2.805,562 3.794,563 4.665,564 4.882,565 5.012,566 2.757,567 4.418,568 4.554,569 3.443,570 950.264,571 7.859,572 11017.9,574 1,577 254.084,578 1.281,579 4.532,580 0.167,581 0.006,582 0.076,583 0.028,584 0.038,585 0.027,586 0.015,587 0.011,588 0.013,589 0.006,590 0.387,591 0.5,592 1,593 1.063,594 113.749,595 0.13,596 -0.161,597 0.079,598 -0.039,599 -0.033,600 0.007,601 -0.264,602 0.289,603 0.025,604 0.194,605 0.016,606 0.139,607 -0.055,608 0.027,609 -0.15,610 -0.085,611 -0.066,612 -0.116,613 0.071,614 -0.123,616 -0.068,617 -0.015,618 -0.044,619 -0.033,620 0.169,621 0.127,622 0.173,623 0.108,624 0.162,625 -0.065,626 -0.02,627 -0.048,628 -0.032,629 0.033,630 -0.038,631 -0.06,632 -0.229,633 -0.196,634 -0.234,635 -0.233,636 -0.225,637 0.064,638 -0.045,639 0.05,640 0.004,641 0.047,642 0.023,643 0.488,644 0.347,645 0.792,646 20.389,647 0.979,648 1.112,649 4.169,650 17.377,651 0.688,652 3.332,653 3.664,654 3.951,655 4.234,656 4.5,657 4.605,658 4.771,659 4.927,660 5.024,661 5.088,662 5.877,663 0.637,664 314.46,665 3.332,666 4.875,667 5.733,668 6.616,669 7.495,670 8.384,671 9.272,672 10.164,673 11.056,674 11.951,675 4.3,678 1,683 1,687 4,688 12,693 2,694 1,695 21,714 46,716 21,717 3,718 27,720 49,721 22,722 18,723 6,724 10,730 4,731 6,745 18,746 4,764 22,765 1,767 2,773 2,777 0.5,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 2,827 24,833 2,838 1,854 11.667,855 8.9,856 5.194,857 2.738,858 4.319,859 1.569,860 1.037,861 3.931,862 11.913,863 3.651,864 4.327,865 5.01,866 5.674,867 6.286,868 6.694,869 7.212,870 7.721,871 8.151,872 8.536,873 0.857,874 37,875 8.851,877 3.702,878 7.375,879 17.594,881 14.694,883 1.875,884 45,885 0.001,887 1,888 258.964,889 150.524,890 5.023,895 150.524,896 258.964,897 5.023,898 16.793,899 4.211,900 113.286,902 19.113,903 13.915,904 247.193,906 258.964,907 155.548,911 258.964,915 9.235,916 146.313,919 258.964,920 5.023,921 150.524,924 258.964,925 20.446,926 135.102,929 258.964,930 5.023,931 150.524,933 0.582,934 0.331,935 0.18,936 0.103,937 20,938 8,939 0.082,940 4,941 2,942 1.211,943 3.687,944 200.744,945 0.211,946 19,947 108.039,951 15.132,952 6.235,953 3.02,954 5.19,955 3.124,956 26.4,961 2.55,962 2.347,964 414.512,965 37.5,975 45.04,976 51.149,977 0.22,978 0.508,979 0.687,980 0.845,981 0.884,982 0.907,983 4.869,984 1.352,985 5.714,986 4.179,987 4.344,988 5.014,989 0.673,990 6.524,991 4.3,992 6.096,993 1.208,994 7.268,995 3.337,996 3.892,997 4.856,998 0.325,999 7.413,1000 3.81,1001 7.412,1002 0.814,1003 8.921,1004 2.936,1005 5.932,1006 7.338,1007 0.379,1008 10.509,1009 5.852,1010 8.771,1011 0.654,1012 10.634,1013 1.871,1014 6.312,1015 8.058,1016 0.268,1017 12.242,1018 6.201,1019 10.163,1020 0.365,1021 12.386,1022 1.532,1023 7.81,1024 9.977,1025 0.239,1026 14.836,1027 7.698,1028 11.581,1029 -0.323,1030 14.165,1031 0.854,1032 8.579,1033 11.112,1034 0.188,1035 16.906,1036 8.444,1037 13.019,1038 -0.618,1039 15.963,1040 -0.817,1041 9.852,1042 12.79,1043 0.156,1044 19.322,1045 9.71,1046 3.128,1047 -0.656,1048 17.775,1049 -1.577,1050 10.807,1051 14.119,1052 0.125,1053 21.534,1054 10.644,1055 2.94,1056 10.443,1057 19.597,1058 -1.651,1059 11.985,1060 15.691,1061 0.102,1062 23.886,1063 11.811,1064 2.578,1065 9.474,1066 21.427,1067 4.526,1068 13.027,1069 17.11,1070 0.082,1071 26.158,1072 12.833,1073 2.237,1074 8.436,1075 23.264,1076 4.339,1077 14.166,1078 18.636,1079 0.066,1080 28.488,1081 13.959,1082 1.918,1083 6.072,1084 25.105,1085 3.495,1086 15.25,1087 20.096,1088 0.054,1089 30.789,1090 15.022,1091 1.618,1092 5.024,1093 26.95,1094 2.74,1095 16.376,1096 21.604,1097 0.043,1098 33.114,1099 16.131,1100 1.587,1101 4.551,1102 28.799,1103 2.427,1104 17.479,1105 23.083,1106 0.035,1107 35.428,1108 17.215,1109 6263,1110 8886,1111 18.493,1112 31.625,1113 40.98,1114 40.675,1115 41.332,1116 40.839,1117 40.798,1118 56.676,1119 1.6,1120 117.418,1121 39.87,1122 5.408,1123 5.156,1124 6.255,1125 5.106,1126 5.128,1127 7.526,1128 1.2,1129 17.115,1130 5.066,1131 9.148,1132 1.518,1133 1.506,1134 1.531,1135 1.513,1136 1.511,1137 2.099,1138 0.059,1139 4.349,1140 1.477,1141 4.171,1142 4.2,1143 4.13,1144 4.111,1145 4.971,1146 4.112,1147 4.034,1148 4.061,1149 3.987,1150 3.972,1151 4.848,1152 3.974,1153 3.666,1154 3.745,1155 3.542,1156 3.508,1157 4.389,1158 3.508,1159 3.522,1160 3.571,1161 3.421,1162 3.392,1163 4.301,1164 3.391,1165 3.304,1166 3.368,1167 3.18,1168 3.17,1169 4.116,1170 3.165,1171 3.103,1172 3.174,1173 2.952,1174 2.974,1175 3.852,1176 2.96,1177 3.016,1178 3.074,1179 2.874,1180 2.91,1181 3.746,1182 2.893,1183 2.874,1184 3.009,1185 2.679,1186 2.728,1187 3.504,1188 2.707,1189 0.17,1190 0.117,1191 0.243,1192 0.152,1193 0.116,1194 4.577,1195 0.168,1196 3.156,1197 0.03,1198 6.568,1199 0.387,1200 4.105,1201 0.114,1202 3.128,1203 4.526,1204 0.8,1205 10.443,1206 3.066,1207 2.097,1208 2.08,1209 2.175,1210 2.147,1211 1.322,1212 2.157,1213 1.915,1214 1.892,1215 2.006,1216 2.009,1217 1.204,1218 2.009,1219 1.682,1220 1.61,1221 1.902,1222 1.888,1223 1.088,1224 1.9,1225 1.483,1226 1.445,1227 1.691,1228 1.69,1229 0.782,1230 1.696,1231 1.433,1232 1.357,1233 1.628,1234 1.564,1235 0.713,1236 1.588,1237 1.135,1238 1.075,1239 1.424,1240 1.31,1241 0.539,1242 1.355,1243 1.047,1244 0.987,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.813,1251 1.283,1252 1.193,1253 0.368,1254 1.227,1255 4.007,1257 5.333,1258 2.398,1259 6.855,1260 4.727,1261 8.469,1262 6.823,1263 10.133,1265 4.235,1271 2.057,1276 2.221,1280 29.311,1281 55.869,1282 129.036,1283 174.52,1284 214.574,1285 224.574,1286 230.574,1287 24.518,1288 7.594,1289 8.17,1290 8.17,1291 23,1292 12.477,1293 4.459,1294 3.524,1295 33.888,1296 84,1297 83,1298 0.199,1299 179.47,1300 294.36,1301 429.668,1302 20552,1304 16.518,1305 0.688,1306 0.593,1307 16.518,1308 14.237,1309 11.704,1310 0.433,1311 0.312,1312 8.367,1313 11.483,1314 8.058,1315 6.747,1316 11.704,1317 8.434,1318 10.683,1319 0.281,1320 0.175,1321 10.683,1322 6.648,1323 8.964,1324 0.176,1325 0.091,1326 8.964,1327 4.645,1328 7.552,1329 0.111,1330 0.048,1331 7.552,1332 3.235,1333 6.423,1334 0.072,1335 0.026,1336 6.423,1337 2.338,1338 0.31,1339 71.577,1340 0.233,1341 23.357,1342 0.553,1343 130,1344 271.29,1345 133.83,1346 278.641,1347 400.16,1348 264,1349 154,1350 307.577,1351 158.857,1352 323.022,1353 470.4,1354 303,1355 7.244} {0 CHEMBL139801,1 1.413,2 8.524,3 1.561,4 2.437,5 85.241,6 6.41,7 0.435,8 3.889,9 4.018,10 3.334,11 3.369,12 4.839,13 3.33,14 4.484,15 4.686,16 3.696,17 3.792,18 5.363,19 3.738,20 4.738,21 4.947,22 3.723,23 3.988,24 5.646,25 3.877,26 4.879,27 5.143,28 3.614,29 3.988,30 5.727,31 3.822,32 4.771,33 5.07,34 3.501,35 3.832,36 5.5,37 3.673,38 4.552,39 4.793,40 3.491,41 3.745,42 5.401,43 3.626,44 4.549,45 4.79,46 3.229,47 3.691,48 5.36,49 3.515,50 4.49,51 4.794,52 2.948,53 3.459,54 5.178,55 3.237,56 0.047,57 0.638,58 11.113,59 4.293,60 8.153,61 6.134,62 0.223,63 1.04,64 20.781,65 6.816,66 15.026,67 10.102,68 0.289,69 1.262,70 26.591,71 9.728,72 31.084,73 13.782,74 0.358,75 1.34,76 30.347,77 10.915,78 45.091,79 16.067,80 0.301,81 1.194,82 27.262,83 9.046,84 28.869,85 13.937,86 0.181,87 1.03,88 21.869,89 7.634,90 22.199,91 11.33,92 0.249,93 0.988,94 21.818,95 7.842,96 25.076,97 11.483,98 0.212,99 0.83,100 20.407,101 7.165,102 22.499,103 10.733,104 13,105 33,106 0.248,107 0.563,108 0.755,109 0.802,110 0.802,111 0.802,112 3.104,113 0.995,114 -2.63,115 -2.65,116 -2.58,119 37.8,121 2,124 2,125 4,129 1,140 4,141 2,149 1,150 1,169 5,172 5,176 3,178 8,181 1,182 2,186 2,189 8,193 2,195 1,197 1,199 3,203 7,206 1,208 1,211 2,215 3,220 1,222 2,225 1,226 2,237 3,240 1,259 528,260 14.007,261 14.007,262 14.007,263 14.007,264 14.007,265 12.916,266 18.276,267 8.206,268 14.419,269 11.338,270 11.338,271 11.338,272 11.338,273 11.338,274 9.623,275 22.461,276 3.871,277 11.971,278 4.078,279 2.282,280 1.189,281 0.922,282 0.922,283 0.922,284 3.781,287 1,288 1,289 1,290 380,291 3.162,294 45.357,295 112.85,298 79.949,302 1.311,303 15.885,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 45,315 179,316 4.636,317 3.804,318 7.474,319 4.418,320 3.45,321 4.518,322 0.86,323 13.206,324 3.335,325 4.382,326 3.095,327 6.53,328 3.996,329 3.036,330 3.658,331 0.8,332 10.293,333 2.916,334 3.443,335 2.575,336 5.17,337 3.18,338 2.253,339 2.749,340 0.765,341 6.141,342 2.088,343 3.17,344 2.328,345 4.993,346 2.915,347 1.975,348 2.355,350 5.323,351 1.852,352 3.131,353 2.074,354 4.624,355 2.762,356 1.801,357 2.182,359 5.024,360 1.73,361 2.704,362 1.734,363 4.138,364 2.356,365 1.463,366 1.782,368 3.429,369 1.296,370 2.509,371 1.272,372 3.732,373 2.191,374 1.223,375 1.51,377 3.073,378 1.174,379 2.167,380 1.2,381 3.641,382 1.969,383 1,384 1.053,386 2.23,387 0.963,388 2,389 0.872,390 3.3,391 1.779,392 0.802,393 1,395 1.855,396 0.782,397 1.571,398 0.448,399 3,400 1.336,401 0.368,402 0.436,404 0.858,405 0.355,406 0.864,407 0.08,408 2.85,409 0.623,410 -0.306,411 -0.318,413 -0.721,414 -0.279,415 0.631,416 -0.299,417 2.333,418 0.367,419 -0.577,420 -0.694,422 -1.467,423 -0.543,424 0.606,425 -0.522,426 2.197,427 0.147,428 -0.833,429 -1,431 -2,432 -0.81,433 0.147,434 -0.6,435 2,436 -0.095,437 -1,438 -1,440 -2.508,441 -0.884,443 -0.671,444 2,445 -0.1,446 -1,447 -1.115,449 -2.598,450 -0.9,451 9.967,452 0.475,453 0.589,454 0.028,455 21.75,456 1.036,457 8,458 0.381,459 13.75,460 0.655,461 19.145,462 0.912,463 24.233,464 0.539,465 14.946,466 0.712,467 4.261,468 0.203,469 5.822,470 0.277,471 0.134,472 0.05,473 0.231,479 0.958,480 1.539,481 0.941,482 1.274,483 1.019,484 1.129,485 1.395,486 0.949,487 1.002,488 0.847,489 0.912,490 0.851,491 1.273,492 1.066,493 1.183,494 1.129,495 1.424,496 1.145,497 0.78,498 1.113,499 0.987,500 1.1,501 1.201,502 1.081,503 0.687,504 0.874,505 0.811,506 0.836,507 0.612,508 0.831,509 0.951,510 1.108,511 1.011,512 1.086,513 0.741,514 1.052,515 0.985,516 1.226,517 1.292,518 1.309,519 1.242,520 1.339,521 0.622,522 1.046,523 0.918,524 1.095,525 0.74,526 1.058,527 5,528 0.037,529 3.111,530 1.354,531 0.876,532 0.878,533 0.52,534 0.167,535 0.182,536 0.066,537 4094,538 8668,539 2.062,540 53.3,542 18,543 1,545 1,548 4,550 1.634,551 1.924,552 3.084,553 -0.338,554 1,555 1,557 1,559 63.607,560 1.413,561 3.21,562 4.303,563 4.569,564 4.569,565 4.569,566 2.529,567 4.107,568 4.361,569 3.211,570 674.264,571 7.484,572 7005.48,574 1,576 1,577 247.133,578 1.565,579 4.311,580 0.217,581 0.007,582 0.094,583 0.042,584 0.032,585 0.035,586 0.021,587 0.01,588 0.015,589 0.007,590 0.482,591 0.67,592 1,593 1.238,594 93.84,595 -0.019,596 -0.254,597 0.068,598 -0.086,599 -0.121,600 -0.015,601 -0.174,602 0.224,603 0.037,604 0.184,605 -0.03,606 0.152,607 -0.142,608 0.02,609 -0.18,610 -0.07,611 -0.112,612 -0.123,613 0.085,614 -0.151,615 -0.03,616 -0.095,617 0.012,618 -0.082,619 0.071,620 0.082,621 0.143,622 0.105,623 0.063,624 0.131,625 -0.053,626 -0.051,627 -0.033,628 -0.07,629 0.054,630 -0.048,631 -0.065,632 -0.199,633 -0.324,634 -0.289,635 -0.19,636 -0.335,637 0.129,638 -0.166,639 0.017,640 -0.145,641 0.051,642 -0.09,643 1.983,644 4.851,645 0.714,646 15.415,647 0.991,648 1.133,649 1.395,650 1.946,651 0.629,652 3.178,653 3.526,654 3.784,655 4.025,656 4.248,657 4.357,658 4.477,659 4.554,660 4.522,661 4.477,662 5.105,663 0.584,664 288.43,665 3.178,666 4.727,667 5.58,668 6.472,669 7.352,670 8.252,671 9.143,672 10.048,673 10.944,674 11.851,675 4.4,678 1,683 1,687 2,688 5,693 1,694 1,695 10,714 45,716 10,717 1,718 23,720 47,721 17,722 8,723 3,724 3,730 3,731 4,740 2,741 1,743 2,745 8,746 9,747 1,760 1,761 1,764 24,765 3,766 1,767 4,773 2,777 0.667,778 2,781 1,788 1,792 1,793 2,796 1,815 1,817 1,818 1,819 2,823 2,827 21,832 1,833 6,835 1,838 1,839 1,847 4.4,848 1,851 1,854 10.917,855 8.433,856 4.556,857 2.697,858 2.071,859 1.304,860 0.92,861 4.134,862 8.889,863 3.367,864 3.956,865 4.55,866 5.149,867 5.665,868 6.061,869 6.473,870 6.806,871 6.769,872 6.855,873 0.833,874 32,875 7.827,877 3.313,878 7.536,879 15.424,881 12.932,883 2.036,884 42.75,885 0.001,888 270.735,889 90.113,890 5.023,892 53.683,895 90.113,896 324.419,897 5.023,898 16.793,899 18.465,900 89.636,901 11,902 10.782,903 13.915,904 258.964,906 270.735,907 95.136,908 53.683,911 223.651,912 47.084,913 53.683,915 23.489,916 71.648,919 270.735,920 58.707,921 90.113,924 270.735,925 26.368,926 68.769,928 53.683,929 270.735,930 58.707,931 90.113,933 0.587,934 0.331,935 0.17,936 0.095,937 17,938 7,939 0.085,940 4,941 1,942 1.133,943 3.294,944 163.426,945 0.133,946 15,947 86.239,951 14.73,952 5.894,953 3.039,954 2.433,955 56.808,956 10.597,961 1.017,962 2.265,963 42.683,964 419.555,965 28,975 44.578,976 50.983,977 0.257,978 0.585,979 0.783,980 0.832,981 0.832,982 0.832,983 4.63,984 1,985 5.609,986 3.073,987 4.205,988 4.64,989 1.528,990 6.491,991 4.111,992 5.843,993 0.802,994 7.222,995 2.23,996 4.007,997 4.59,998 0.325,999 7.844,1000 3.862,1001 7.177,1002 0.368,1003 8.958,1004 1.855,1005 5.916,1006 6.879,1007 1.175,1008 10.887,1009 5.751,1010 8.556,1011 -0.306,1012 10.773,1013 0.858,1014 6.567,1015 7.696,1016 0.268,1017 13.08,1018 6.361,1019 9.974,1020 -0.577,1021 12.642,1022 -0.721,1023 8.007,1024 9.503,1025 0.908,1026 15.754,1027 7.778,1028 11.419,1029 -0.833,1030 14.548,1031 -1.467,1032 9.004,1033 10.699,1034 0.188,1035 18.203,1036 8.739,1037 12.884,1038 -1,1039 16.478,1040 -2,1041 10.289,1042 12.319,1043 0.694,1044 20.791,1045 9.996,1046 3.45,1047 -1,1048 18.427,1049 -2.508,1050 11.422,1051 13.684,1052 0.125,1053 23.32,1054 11.095,1055 3.036,1056 13.206,1057 20.389,1058 -2.598,1059 12.658,1060 15.23,1061 0.523,1062 25.891,1063 12.3,1064 2.253,1065 10.293,1066 22.36,1067 4.518,1068 13.844,1069 16.67,1070 0.082,1071 28.448,1072 13.452,1073 1.975,1074 6.141,1075 24.338,1076 3.658,1077 15.067,1078 18.188,1079 0.389,1080 31.019,1081 14.643,1082 1.801,1083 5.323,1084 26.322,1085 2.749,1086 16.275,1087 19.662,1088 0.054,1089 33.587,1090 15.817,1091 1.463,1092 5.024,1093 28.311,1094 2.355,1095 17.497,1096 21.17,1097 0.287,1098 36.16,1099 17.006,1100 1.223,1101 3.429,1102 30.302,1103 2.182,1104 18.715,1105 22.66,1106 0.035,1107 38.734,1108 18.191,1109 4059,1110 5969,1111 15.197,1112 28.296,1113 35.082,1114 34.579,1115 35.817,1116 34.847,1117 34.742,1118 42.486,1119 4.849,1120 102.865,1121 32.982,1122 5.636,1123 5.804,1124 7.206,1125 5.493,1126 5.45,1127 7.518,1128 1.72,1129 20.608,1130 5.335,1131 9.791,1132 1.525,1133 1.503,1134 1.557,1135 1.515,1136 1.511,1137 1.847,1138 0.211,1139 4.472,1140 1.434,1141 4.148,1142 4.182,1143 4.106,1144 4.062,1145 6.447,1146 4.068,1147 3.813,1148 3.852,1149 3.714,1150 3.659,1151 4.917,1152 3.666,1153 3.646,1154 3.729,1155 3.499,1156 3.436,1157 4.582,1158 3.44,1159 3.379,1160 3.441,1161 3.26,1162 3.207,1163 4.333,1164 3.21,1165 3.128,1166 3.206,1167 2.965,1168 2.953,1169 4.192,1170 2.941,1171 3.111,1172 3.199,1173 2.866,1174 2.941,1175 3.779,1176 2.91,1177 2.924,1178 3.009,1179 2.739,1180 2.736,1181 3.509,1182 2.719,1183 2.874,1184 2.984,1185 2.649,1186 2.618,1187 3.474,1188 2.585,1189 0.202,1190 0.165,1191 0.325,1192 0.192,1193 0.15,1194 4.636,1195 0.196,1196 3.804,1197 0.037,1198 7.474,1199 0.574,1200 4.418,1201 0.145,1202 3.45,1203 4.518,1204 0.86,1205 13.206,1206 3.335,1207 1.984,1208 1.962,1209 2.082,1210 2.083,1211 1.366,1212 2.083,1213 1.711,1214 1.664,1215 1.922,1216 1.937,1217 1.189,1218 1.937,1219 1.668,1220 1.606,1221 1.867,1222 1.843,1223 1.057,1224 1.852,1225 1.449,1226 1.37,1227 1.689,1228 1.69,1229 0.825,1230 1.696,1231 1.153,1232 1.085,1233 1.513,1234 1.376,1235 0.782,1236 1.429,1237 1.147,1238 1.064,1239 1.439,1240 1.352,1241 0.571,1242 1.379,1243 0.934,1244 0.854,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.92,1250 0.804,1251 1.183,1252 1.207,1253 0.379,1254 1.201,1255 3.85,1257 5.187,1258 2.398,1259 6.725,1260 4.727,1261 8.355,1262 6.823,1263 10.035,1265 4.17,1270 10.851,1271 4.591,1273 5.377,1276 2.182,1277 -0.733,1280 26.267,1281 63.607,1282 144.465,1283 193.624,1284 205.624,1285 205.624,1286 205.624,1287 33.731,1288 6.818,1289 37.63,1290 37.63,1291 17,1292 12.371,1293 3.459,1294 2.585,1295 32.106,1296 64,1297 64,1298 0.256,1299 161.532,1300 272.8,1301 385.897,1302 7188,1304 14.872,1305 0.708,1306 0.613,1307 14.872,1308 12.879,1309 10.083,1310 0.438,1311 0.332,1312 7.505,1313 9.656,1314 7.254,1315 5.996,1316 10.083,1317 7.627,1318 9.457,1319 0.287,1320 0.189,1321 9.457,1322 6.23,1323 7.658,1324 0.178,1325 0.103,1326 7.658,1327 4.419,1328 6.153,1329 0.112,1330 0.054,1331 6.153,1332 2.974,1333 4.977,1334 0.072,1335 0.03,1336 4.977,1337 2.085,1338 0.39,1339 63.355,1340 0.257,1341 20.568,1342 0.733,1343 112,1344 273.175,1345 121.477,1346 261.101,1347 357.45,1348 246,1349 132,1350 258.244,1351 142.173,1352 264.924,1353 388.19,1354 247,1355 8.469} {0 CHEMBL140415,1 1.222,2 8.842,3 4.56,4 20.792,5 81.403,6 5.684,7 0.3,8 3.862,9 4.005,10 3.196,11 3.369,12 4.694,13 3.289,14 4.472,15 4.698,16 3.456,17 3.758,18 5.191,19 3.636,20 4.736,21 5.007,22 3.441,23 3.873,24 5.394,25 3.697,26 4.731,27 5.017,28 3.424,29 3.828,30 5.391,31 3.656,32 4.704,33 4.964,34 3.336,35 3.801,36 5.411,37 3.625,38 4.674,39 4.975,40 3.132,41 3.706,42 5.286,43 3.488,44 4.493,45 4.801,46 2.978,47 3.552,48 5.07,49 3.335,50 4.364,51 4.667,52 2.897,53 3.479,54 4.94,55 3.263,56 0.06,57 0.616,58 11.697,59 4.782,60 7.063,61 6.872,62 0.163,63 0.995,64 20.514,65 7.62,66 13.231,67 11.234,68 0.249,69 1.167,70 25.461,71 9.679,72 18.493,73 14.1,74 0.198,75 1.121,76 25,77 9.464,78 18.912,79 13.729,80 0.241,81 1.083,82 24.848,83 9.186,84 21.167,85 13.182,86 0.194,87 1.032,88 23.05,89 8.632,90 18.738,91 12.707,92 0.147,93 0.888,94 19.103,95 7.165,96 13.321,97 10.734,98 0.109,99 0.814,100 16.805,101 6.481,102 10.572,103 9.764,104 11,105 25,106 0.217,107 0.464,108 0.722,109 0.827,110 0.834,111 0.834,112 3.009,113 1.157,114 -4.63,115 -4.55,116 -4.28,119 37,120 1,121 5,122 1,124 1,125 3,140 4,141 1,142 1,169 11,172 3,178 12,181 1,182 4,189 8,193 3,199 7,203 5,211 6,215 4,222 2,226 3,233 2,237 2,244 5,256 6,259 480,260 13.113,261 13.113,262 13.113,263 13.113,264 13.113,265 12.386,266 13.505,267 8.259,268 13.361,269 9.863,270 9.863,271 9.863,272 9.863,273 9.863,274 8.782,275 13.986,276 3.84,277 10.252,278 4.301,279 2.905,280 1.451,281 0.859,282 0.815,283 0.815,284 3.669,288 1,289 1,290 348,291 3.082,294 47.956,295 67.237,302 1.252,303 7.694,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 39.5,315 168,316 4.297,317 3.289,318 6.501,319 4.001,320 3.018,321 3.864,322 0.86,323 10.18,324 2.968,325 3.416,326 2.733,327 5.253,328 3.304,329 2.381,330 2.509,331 0.8,332 6.427,333 2.213,334 3.348,335 2.515,336 5.024,337 3.213,338 2.248,339 2.368,341 6.044,342 2.148,343 2.932,344 1.844,345 4.149,346 2.533,347 1.588,348 2.096,350 3.755,351 1.49,352 2.708,353 1.47,354 3.636,355 2.414,356 1.414,357 1.761,359 3.034,360 1.414,361 2.29,362 1.337,363 3.405,364 2.173,365 1.197,366 1.278,368 2.428,369 1.164,370 1.993,371 1.048,372 3.23,373 1.835,374 0.871,375 0.956,377 1.903,378 0.835,379 1.874,380 0.825,381 3,382 1.772,383 0.794,384 0.85,386 1.471,387 0.774,388 1.618,389 0.618,390 2.914,391 1.618,392 0.618,393 0.618,395 1.372,396 0.618,397 1.11,398 0.232,399 2.358,400 0.9,401 -0.032,402 -0.035,404 -0.072,405 -0.03,406 0.648,407 -0.268,408 2.095,409 0.413,410 -0.545,411 -0.565,413 -0.881,414 -0.517,415 0.526,416 -0.409,417 2,418 0.273,419 -0.685,420 -0.762,422 -1.537,423 -0.646,424 0.363,425 -0.727,426 1.562,427 0.079,428 -0.889,429 -1.159,431 -2.111,432 -0.861,433 -0.25,434 -1.178,435 1.286,436 -0.414,437 -1.388,438 -1.507,440 -3.134,441 -1.298,442 -0.323,443 -1.31,444 1.164,445 -0.457,446 -1.414,447 -1.586,449 -3.188,450 -1.414,451 9.233,452 0.486,453 0.277,454 0.015,455 17.75,456 0.934,457 6.5,458 0.342,459 11.25,460 0.592,461 18.382,462 0.967,463 22.567,464 0.491,465 9.684,466 0.51,467 2.994,468 0.158,469 6.315,470 0.332,471 0.108,473 0.206,479 0.922,480 1.496,481 1.096,482 1.352,483 0.962,484 1.252,485 1.466,486 1.1,487 1.154,488 1.076,489 1.08,490 1.079,491 1.156,492 1.029,493 1.056,494 1.052,495 1.024,496 1.047,497 1.267,498 0.938,499 0.925,500 0.948,501 1.13,502 0.917,503 2.061,504 1.078,505 1.211,506 1.075,507 1.992,508 1.093,509 1.312,510 0.999,511 1.031,512 0.967,513 1.262,514 0.982,515 0.971,516 0.982,517 0.989,518 0.936,519 0.94,520 0.958,521 0.573,522 1.024,523 1.011,524 1.006,525 0.675,526 1.026,527 2.5,528 0.032,529 1.778,530 0.903,531 0.342,532 0.344,533 0.222,534 0.169,535 0.121,536 0.075,537 3231,538 5088,539 2.025,540 58.7,541 12,542 13,547 2,550 1.602,551 1.932,552 3.133,553 -0.879,559 56.215,560 1.222,561 2.618,562 4.073,563 4.665,564 4.708,565 4.708,566 2.505,567 3.787,568 4.216,569 3.27,570 559.158,571 7.177,572 5677.05,574 1,577 254.084,578 1.19,579 4.196,580 0.125,581 0.006,582 0.071,583 0.039,584 0.015,585 0.017,586 0.014,587 0.012,588 0.009,589 0.008,590 0.317,591 0.67,592 1,593 1.907,594 83.606,595 0.078,596 -0.177,597 0.061,598 -0.085,599 0.073,600 -0.025,601 -0.106,602 0.06,603 -0.052,604 -0.002,605 0.012,606 -0.016,607 0.074,608 -0.008,609 -0.033,610 -0.047,611 0.073,612 -0.047,613 0.021,614 0.035,615 0.083,616 0.032,617 0.073,618 0.06,619 -0.182,620 -0.098,621 -0.146,622 -0.079,623 -0.304,624 -0.109,625 -0.089,626 -0.059,627 -0.049,628 -0.018,629 -0.096,630 -0.032,631 -0.068,632 -0.014,633 -0.025,634 0.012,635 -0.062,636 -0.003,637 -0.042,638 -0.006,639 -0.059,640 -0.032,641 -0.037,642 -0.043,643 0.708,644 2.525,645 0.579,646 14.039,647 0.976,648 1.133,649 3.397,650 11.54,651 0.616,652 3.045,653 3.258,654 3.466,655 3.664,656 3.689,657 3.689,658 3.714,659 3.664,660 3.555,661 3.401,662 5.321,663 0.556,664 261.45,665 3.045,666 4.511,667 5.313,668 6.142,669 6.967,670 7.808,671 8.643,672 9.489,673 10.33,674 11.18,675 2.2,678 1,688 4,693 2,695 6,712 1,714 46,716 6,717 1,718 20,720 47,721 17,722 6,723 2,724 4,730 2,731 2,736 1,740 4,741 1,743 5,745 6,746 11,747 1,761 1,764 27,765 2,767 2,773 1,777 1,778 1,792 1,793 1,815 1,819 2,823 2,827 19,833 8,835 1,837 1,838 1,847 2.2,852 1,854 9.833,855 8.533,856 4.472,857 3.254,858 1.272,859 1.21,860 0.923,861 5.869,862 7.334,863 3.178,864 3.57,865 4.003,866 4.441,867 4.813,868 4.787,869 4.954,870 5.015,871 5.029,872 4.989,873 0.833,874 23,875 7.082,877 2.799,878 7.298,879 14.431,881 11.696,883 1.798,884 34.167,885 0.005,888 317.82,889 85.032,890 3.124,892 11,895 85.032,896 328.82,897 3.124,898 17.222,899 21.476,900 37.905,902 22.553,904 317.82,906 317.82,907 88.156,908 11,911 294.278,912 34.542,915 33.426,916 54.73,919 317.82,920 14.124,921 85.032,924 317.82,925 29.905,926 58.251,928 11,929 317.82,930 14.124,931 85.032,933 0.546,934 0.313,935 0.173,936 0.077,937 10,938 4,939 0.149,940 7,942 1,943 3.23,944 126.149,946 11,947 76.711,951 14.55,952 7.664,953 4.326,955 14.124,956 8.613,961 2.539,964 416.976,965 23,975 44.916,976 52.105,977 0.221,978 0.474,979 0.737,980 0.845,981 0.852,982 0.852,983 4.363,984 0.794,985 5.231,986 1.903,987 3.932,988 4.248,989 1.235,990 5.948,991 3.862,992 5.452,993 0.618,994 6.723,995 1.471,996 3.219,997 3.689,998 0.325,999 6.72,1000 3.099,1001 6.681,1002 -0.032,1003 8.326,1004 1.372,1005 5.407,1006 6.178,1007 0.938,1008 9.828,1009 5.276,1010 7.953,1011 -0.545,1012 10.003,1013 -0.072,1014 5.638,1015 6.572,1016 0.268,1017 11.555,1018 5.48,1019 9.268,1020 -0.685,1021 11.731,1022 -0.881,1023 7.188,1024 8.493,1025 0.732,1026 14.141,1027 7.016,1028 10.614,1029 -0.889,1030 13.494,1031 -1.537,1032 7.871,1033 9.341,1034 0.188,1035 16.23,1036 7.687,1037 11.984,1038 -1.388,1039 15.283,1040 -2.111,1041 9.152,1042 11.009,1043 0.57,1044 18.65,1045 8.955,1046 3.018,1047 -1.414,1048 17.09,1049 -3.134,1050 10.054,1051 12.085,1052 0.125,1053 20.879,1054 9.849,1055 2.381,1056 10.18,1057 18.911,1058 -3.188,1059 11.224,1060 13.621,1061 0.438,1062 23.239,1063 11.008,1064 2.248,1065 6.427,1066 20.744,1067 3.864,1068 12.231,1069 14.817,1070 0.082,1071 25.522,1072 12.006,1073 1.588,1074 6.044,1075 22.584,1076 2.509,1077 13.356,1078 16.278,1079 0.334,1080 27.859,1081 13.121,1082 1.414,1083 3.755,1084 24.431,1085 2.368,1086 14.413,1087 17.539,1088 0.054,1089 30.164,1090 14.167,1091 1.197,1092 3.034,1093 26.284,1094 2.096,1095 15.522,1096 18.957,1097 0.252,1098 32.492,1099 15.264,1100 0.871,1101 2.428,1102 28.14,1103 1.761,1104 16.603,1105 20.255,1106 0.035,1107 34.806,1108 16.333,1109 3310,1110 4226,1111 13.405,1112 28.358,1113 28.253,1114 28.222,1115 29.226,1116 28.355,1117 28.256,1118 32.6,1119 3.32,1120 73.227,1121 27.25,1122 5.23,1123 5.289,1124 6.276,1125 5.064,1126 5.018,1127 6.864,1128 1.72,1129 16.933,1130 4.968,1131 7.771,1132 1.413,1133 1.411,1134 1.461,1135 1.418,1136 1.413,1137 1.63,1138 0.166,1139 3.661,1140 1.362,1141 3.997,1142 4.03,1143 3.92,1144 3.923,1145 4.844,1146 3.918,1147 3.75,1148 3.823,1149 3.609,1150 3.625,1151 4.395,1152 3.611,1153 3.707,1154 3.763,1155 3.569,1156 3.541,1157 4.233,1158 3.538,1159 3.433,1160 3.512,1161 3.233,1162 3.247,1163 4.202,1164 3.233,1165 3.154,1166 3.243,1167 2.945,1168 2.906,1169 3.926,1170 2.9,1171 2.959,1172 3.031,1173 2.792,1174 2.839,1175 3.611,1176 2.819,1177 2.869,1178 2.979,1179 2.64,1180 2.685,1181 3.452,1182 2.666,1183 2.825,1184 2.903,1185 2.583,1186 2.671,1187 3.233,1188 2.635,1189 0.215,1190 0.164,1191 0.325,1192 0.2,1193 0.151,1194 4.297,1195 0.193,1196 3.289,1197 0.043,1198 6.501,1199 0.509,1200 4.001,1201 0.148,1202 3.018,1203 3.864,1204 0.86,1205 10.18,1206 2.968,1207 1.924,1208 1.902,1209 2.041,1210 2.019,1211 1.317,1212 2.026,1213 1.702,1214 1.626,1215 1.96,1216 1.921,1217 1.225,1218 1.938,1219 1.577,1220 1.507,1221 1.86,1222 1.751,1223 1.211,1224 1.793,1225 1.496,1226 1.439,1227 1.761,1228 1.678,1229 1.003,1230 1.712,1231 1.44,1232 1.363,1233 1.73,1234 1.635,1235 0.925,1236 1.672,1237 1.142,1238 1.048,1239 1.525,1240 1.43,1241 0.636,1242 1.464,1243 0.847,1244 0.783,1245 1.281,1246 1.115,1247 0.422,1248 1.179,1249 0.805,1250 0.689,1251 1.13,1252 1.028,1253 0.207,1254 1.065,1255 3.714,1257 4.949,1258 2.398,1259 6.375,1260 4.443,1261 7.898,1262 6.293,1263 9.478,1265 4.377,1271 9.554,1273 6.025,1275 0.726,1276 2.332,1280 25.585,1281 56.215,1282 120.432,1283 187.355,1284 214.574,1285 216.574,1286 216.574,1287 27.264,1288 6.061,1289 12.47,1290 12.47,1291 11,1292 11.741,1293 2.807,1294 2,1295 33.715,1296 58,1297 69,1298 0.279,1299 161.062,1300 278.91,1301 384.751,1302 2897,1304 13.502,1305 0.711,1306 0.653,1307 13.502,1308 12.399,1309 9.309,1310 0.465,1311 0.386,1312 7.642,1313 9.064,1314 7.395,1315 6.226,1316 9.309,1317 7.712,1318 7.578,1319 0.303,1320 0.227,1321 7.578,1322 5.671,1323 6.027,1324 0.194,1325 0.131,1326 6.027,1327 4.05,1328 4.967,1329 0.131,1330 0.079,1331 4.967,1332 2.991,1333 3.222,1334 0.083,1335 0.039,1336 3.222,1337 1.506,1338 0.436,1339 57.458,1340 0.273,1341 19.289,1342 0.763,1343 90,1344 187.381,1345 95.291,1346 180.433,1347 250.06,1348 172,1349 101,1350 181.215,1351 106.875,1352 185.014,1353 267.91,1354 174,1355 7.086} {0 CHEMBL140416,1 1.271,2 10.364,3 4.444,4 19.751,5 91.603,6 6.777,7 0.708,8 3.827,9 3.944,10 3.33,11 3.427,12 4.847,13 3.375,14 4.344,15 4.522,16 3.606,17 3.782,18 5.278,19 3.708,20 4.569,21 4.774,22 3.628,23 3.901,24 5.441,25 3.784,26 4.642,27 4.898,28 3.493,29 3.822,30 5.433,31 3.676,32 4.567,33 4.817,34 3.333,35 3.722,36 5.357,37 3.57,38 4.469,39 4.736,40 3.199,41 3.645,42 5.207,43 3.466,44 4.403,45 4.681,46 3.13,47 3.54,48 5.141,49 3.368,50 4.251,51 4.522,52 3.069,53 3.465,54 5.011,55 3.309,56 0.041,57 0.549,58 9.457,59 4.195,60 7.586,61 5.687,62 0.142,63 0.915,64 16.886,65 6.606,66 15.191,67 9.053,68 0.205,69 1.098,70 21.481,71 8.827,72 20.551,73 12.09,74 0.168,75 1.158,76 23.712,77 9.485,78 22.94,79 13.185,80 0.222,81 1.058,82 22.322,83 8.547,84 25.082,85 11.661,86 0.125,87 0.988,88 19.799,89 8.061,90 18.47,91 11.432,92 0.137,93 0.915,94 18.787,95 7.423,96 18.87,97 10.503,98 0.12,99 0.787,100 15.981,101 6.437,102 15.831,103 9.084,104 2,105 31,106 0.221,107 0.473,108 0.637,109 0.779,110 0.853,111 0.869,112 3.145,113 0.957,114 -5.3,115 -5.19,116 -4.85,119 46.5,124 1,125 3,140 12,141 3,142 1,169 15,172 3,178 17,181 1,182 5,189 12,193 5,199 5,203 5,211 2,215 5,226 5,233 2,237 2,244 7,256 13,259 616,260 15.259,261 15.259,262 15.259,263 15.259,264 15.259,265 13.221,266 12.269,267 9.462,268 15.499,269 11.898,270 11.898,271 11.898,272 11.898,273 11.898,274 8.984,275 16.301,276 4.523,277 12.272,278 4.155,279 2.711,280 1.768,281 0.954,282 0.529,283 0.436,284 3.834,288 1,289 1,290 495,291 3,295 191.814,299 98.594,302 1.512,303 7.88,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45.5,315 228,316 4.493,317 3.168,318 6.505,319 4.013,320 3.03,321 4.43,322 0.916,323 10.194,324 2.98,325 3.927,326 2.943,327 5.484,328 3.596,329 2.625,330 3.455,331 0.86,332 7.392,333 2.558,334 3.518,335 2.463,336 5.204,337 3.138,338 2.196,339 2.909,340 0.172,341 6.257,342 2.058,343 3.277,344 2.305,345 4.815,346 3.025,347 2.074,348 2.427,350 5.499,351 1.966,352 3.118,353 1.618,354 4.172,355 2.618,356 1.618,357 2.356,359 3.813,360 1.618,361 2.838,362 1.605,363 3.625,364 2.432,365 1.442,366 1.955,368 3.072,369 1.426,370 2.77,371 1.463,372 3.585,373 2.277,374 1.285,375 1.902,377 2.868,378 1.274,379 2.5,380 1.263,381 3.443,382 2.105,383 1.17,384 1.5,386 2.559,387 1.083,388 2.45,389 1,390 3.247,391 2,392 1,393 1.435,395 2.136,396 1,397 2.066,398 0.896,399 3.173,400 1.757,401 0.782,402 0.987,404 1.776,405 0.759,406 1.258,407 0.303,408 2.71,409 0.968,410 0.027,411 0.032,413 0.068,414 0.026,415 1.025,416 0.033,417 2.353,418 0.724,419 -0.244,420 -0.287,422 -0.569,423 -0.235,424 0.882,425 -0.335,426 2.155,427 0.382,428 -0.609,429 -0.758,431 -1.412,432 -0.574,433 0.691,434 -0.618,435 2,436 0.343,437 -0.618,438 -0.927,440 -1.478,441 -0.618,442 0.5,443 -0.807,444 1.814,446 -1,447 -1.22,449 -2.252,450 -0.952,451 10.733,452 0.488,453 0.346,454 0.016,455 29.75,456 1.352,457 16.5,458 0.75,459 13.25,460 0.602,461 14.67,462 0.667,463 22.867,464 0.532,465 19.085,466 0.868,467 6.201,468 0.282,469 4.625,470 0.21,471 0.047,473 0.224,479 0.884,480 1.201,481 0.872,482 1.063,483 0.91,484 0.981,485 1.596,486 0.937,487 1.062,488 0.91,489 1.168,490 0.928,491 1.253,492 1.088,493 1.096,494 1.094,495 1.108,496 1.088,497 1.213,498 1.063,499 0.975,500 1.036,501 0.946,502 0.996,503 1.947,504 0.987,505 1.155,506 0.961,507 1.597,508 1,509 0.842,510 1.126,511 1.041,512 1.101,513 0.915,514 1.086,515 1.057,516 1.007,517 0.959,518 0.963,519 0.948,520 0.954,521 1.018,522 0.817,523 0.92,524 0.833,525 0.902,526 0.861,527 3,528 0.037,529 1.778,530 1.125,531 0.707,532 0.299,533 0.221,534 0.184,535 0.14,536 0.09,537 5696,538 12086,539 2.125,540 48.8,542 21,550 1.638,551 2.063,552 3.343,553 -0.896,555 1,559 54.652,560 1.271,561 2.715,562 3.658,563 4.472,564 4.897,565 4.99,566 2.699,567 3.914,568 4.436,569 3.499,570 808.294,571 7.583,572 9342.43,574 1,576 1,577 233.329,578 1.023,579 4.423,580 0.125,581 0.002,582 0.057,583 0.038,584 0.028,585 0.014,586 0.012,587 0.011,588 0.008,589 0.006,590 0.302,591 0.67,592 1,593 0.405,594 103.451,595 0.058,596 -0.126,597 0.067,598 -0.05,599 -0.001,600 -0.002,601 -0.174,602 0.15,603 -0.07,604 0.052,605 -0.118,606 0.013,607 0.051,608 -0.088,609 -0.111,610 -0.117,611 -0.028,612 -0.126,613 0.029,614 -0.1,615 0.024,616 -0.072,617 0.122,618 -0.031,619 -0.217,620 -0.023,621 -0.126,622 -0.008,623 -0.269,624 -0.055,625 0.006,626 -0.157,627 -0.067,628 -0.135,629 -0.032,630 -0.111,631 -0.002,632 -0.042,633 0.036,634 -0.006,635 0.038,636 0.014,637 -0.06,638 0.156,639 0.066,640 0.135,641 0.045,642 0.115,643 0.808,644 2.486,645 0.727,646 16.909,647 0.983,648 1.113,649 4.07,650 16.568,651 0.676,652 3.219,653 3.466,654 3.689,655 3.912,656 4.078,657 3.951,658 3.989,659 4.025,660 4.025,661 3.912,662 6.217,663 0.628,664 291.42,665 3.219,666 4.71,667 5.525,668 6.365,669 7.195,670 8.041,671 8.877,672 9.725,673 10.565,674 11.416,675 2.3,678 1,687 2,688 12,693 2,695 17,712 1,714 43,716 17,717 3,718 24,720 45,721 20,722 16,723 4,724 12,730 3,731 4,745 16,746 4,761 1,764 21,765 2,767 2,773 1,777 0.667,778 1,793 3,797 1,815 1,819 2,823 1,827 22,833 3,835 1,838 1,847 2.3,852 1,854 10.667,855 7.867,856 4.972,857 2.525,858 3.154,859 1.469,860 0.989,861 4.841,862 9.874,863 3.512,864 4.078,865 4.656,866 5.232,867 5.766,868 5.822,869 6.127,870 6.412,871 6.677,872 6.22,873 0.857,874 30,875 8.112,877 3.286,878 7.439,879 15.982,881 12.791,883 1.939,884 42.667,885 0.001,887 1,888 247.193,889 144.49,890 3.124,892 11,895 144.49,896 258.193,897 3.124,898 8.396,899 8.804,900 113.715,902 27.699,904 247.193,906 247.193,907 147.614,908 11,911 247.193,912 11,915 11.928,916 135.686,919 247.193,920 14.124,921 144.49,924 247.193,925 22.379,926 125.236,928 11,929 247.193,930 14.124,931 144.49,933 0.559,934 0.32,935 0.179,936 0.094,937 14,938 5,939 0.133,940 6,941 1,942 1.125,943 3.625,944 160.639,945 0.125,946 16,947 92.107,951 14.768,952 7.212,953 3.951,954 2.397,955 14.124,956 25.052,961 2.293,964 405.807,965 32.5,975 42.265,976 47.86,977 0.234,978 0.5,979 0.674,980 0.824,981 0.902,982 0.92,983 4.684,984 1.17,985 5.451,986 2.868,987 4.143,988 4.762,989 1.382,990 6.172,991 4.087,992 5.85,993 1,994 6.942,995 2.559,996 3.434,997 4.311,998 0.325,999 6.899,1000 3.338,1001 7.116,1002 0.782,1003 8.539,1004 2.136,1005 5.631,1006 6.949,1007 1.115,1008 10.008,1009 5.526,1010 8.423,1011 0.027,1012 10.204,1013 1.776,1014 5.802,1015 7.438,1016 0.393,1017 11.671,1018 5.666,1019 9.768,1020 -0.244,1021 11.916,1022 0.068,1023 7.403,1024 9.472,1025 0.921,1026 14.26,1027 7.261,1028 11.142,1029 -0.609,1030 13.663,1031 -0.569,1032 8.028,1033 10.454,1034 0.384,1035 16.309,1036 7.864,1037 12.539,1038 -0.618,1039 15.435,1040 -1.412,1041 9.349,1042 12.197,1043 0.764,1044 18.724,1045 9.178,1046 3.03,1047 -1,1048 17.226,1049 -1.478,1050 10.211,1051 13.435,1052 0.351,1053 20.933,1054 10.022,1055 2.625,1056 10.194,1057 19.033,1058 -2.252,1059 11.402,1060 15.039,1061 0.634,1062 23.288,1063 11.204,1064 2.196,1065 7.392,1066 20.852,1067 4.43,1068 12.383,1069 16.405,1070 0.312,1071 25.561,1072 12.17,1073 2.074,1074 6.257,1075 22.68,1076 3.455,1077 13.518,1078 17.944,1079 0.525,1080 27.895,1081 13.294,1082 1.618,1083 5.499,1084 24.517,1085 2.909,1086 14.559,1087 19.373,1088 0.273,1089 30.196,1090 14.319,1091 1.442,1092 3.813,1093 26.359,1094 2.427,1095 15.671,1096 20.883,1097 0.433,1098 32.522,1099 15.419,1100 1.285,1101 3.072,1102 28.207,1103 2.356,1104 16.742,1105 22.342,1106 0.236,1107 34.834,1108 16.474,1109 5427,1110 7988,1111 16.583,1112 29.074,1113 34.832,1114 34.754,1115 35.094,1116 34.506,1117 34.498,1118 46.774,1119 3.898,1120 91.267,1121 33.494,1122 5.409,1123 5.168,1124 6.307,1125 5.078,1126 5.03,1127 7.43,1128 1.776,1129 16.97,1130 4.98,1131 5.676,1132 1.451,1133 1.448,1134 1.462,1135 1.438,1136 1.437,1137 1.949,1138 0.162,1139 3.803,1140 1.396,1141 4.082,1142 4.1,1143 4.037,1144 4.036,1145 4.953,1146 4.033,1147 3.921,1148 3.959,1149 3.844,1150 3.854,1151 4.754,1152 3.847,1153 3.626,1154 3.695,1155 3.497,1156 3.431,1157 4.515,1158 3.437,1159 3.461,1160 3.506,1161 3.354,1162 3.362,1163 4.269,1164 3.354,1165 3.228,1166 3.293,1167 3.081,1168 3.038,1169 4.131,1170 3.038,1171 3.002,1172 3.06,1173 2.863,1174 2.905,1175 3.712,1176 2.888,1177 2.952,1178 3.044,1179 2.719,1180 2.77,1181 3.674,1182 2.743,1183 2.854,1184 2.925,1185 2.687,1186 2.735,1187 3.631,1188 2.715,1189 0.187,1190 0.132,1191 0.271,1192 0.167,1193 0.126,1194 4.493,1195 0.185,1196 3.168,1197 0.038,1198 6.505,1199 0.425,1200 4.013,1201 0.124,1202 3.03,1203 4.43,1204 0.916,1205 10.194,1206 2.98,1207 2.063,1208 2.047,1209 2.146,1210 2.125,1211 1.278,1212 2.132,1213 1.915,1214 1.883,1215 2.048,1216 2.014,1217 1.204,1218 2.028,1219 1.587,1220 1.52,1221 1.828,1222 1.813,1223 1.025,1224 1.824,1225 1.47,1226 1.425,1227 1.658,1228 1.6,1229 0.709,1230 1.621,1231 1.206,1232 1.141,1233 1.535,1234 1.453,1235 0.675,1236 1.482,1237 1.024,1238 0.974,1239 1.359,1240 1.222,1241 0.5,1242 1.275,1243 0.993,1244 0.9,1245 1.242,1246 1.162,1247 0.332,1248 1.193,1249 0.886,1250 0.821,1251 1.181,1252 1.062,1253 0.218,1254 1.107,1255 3.892,1257 5.153,1259 6.621,1261 8.186,1263 9.8,1265 2.124,1271 2.537,1273 5.986,1276 2.278,1280 27.004,1281 54.652,1282 116.761,1283 157.29,1284 192.31,1285 210.574,1286 214.574,1287 24.856,1288 6.72,1289 12.47,1290 12.47,1291 18,1292 11.975,1293 4.17,1294 3.248,1295 34.746,1296 84,1297 72,1298 0.201,1299 167.808,1300 283.45,1301 401.213,1302 7632,1304 15.2,1305 0.691,1306 0.587,1307 15.2,1308 12.905,1309 10.826,1310 0.451,1311 0.319,1312 7.588,1313 10.585,1314 7.352,1315 6.155,1316 10.826,1317 7.658,1318 9.175,1319 0.296,1320 0.179,1321 9.175,1322 5.549,1323 7.455,1324 0.191,1325 0.097,1326 7.455,1327 3.776,1328 6.268,1329 0.128,1330 0.053,1331 6.268,1332 2.607,1333 4.951,1334 0.085,1335 0.03,1336 4.951,1337 1.72,1338 0.324,1339 66.564,1340 0.246,1341 22.219,1342 0.528,1343 110,1344 261.381,1345 115.291,1346 259.097,1347 361.64,1348 246,1349 125,1350 265.215,1351 131.041,1352 274.864,1353 396.32,1354 258,1355 6.229} {0 CHEMBL140417,1 1.279,2 8.722,3 3.733,4 13.937,5 76.263,6 6.241,7 0.579,8 3.711,9 3.843,10 3.132,11 3.25,12 4.668,13 3.188,14 4.259,15 4.469,16 3.387,17 3.593,18 5.111,19 3.504,20 4.471,21 4.707,22 3.427,23 3.713,24 5.283,25 3.587,26 4.513,27 4.775,28 3.298,29 3.656,30 5.278,31 3.502,32 4.473,33 4.746,34 3.062,35 3.535,36 5.2,37 3.353,38 4.324,39 4.627,40 2.895,41 3.375,42 4.976,43 3.178,44 4.109,45 4.382,46 2.853,47 3.272,48 4.823,49 3.106,50 4.029,51 4.293,52 2.777,53 3.283,54 4.749,55 3.098,56 0.044,57 0.518,58 9.337,59 3.905,60 6.922,61 5.476,62 0.145,63 0.827,64 16.403,65 5.985,66 13.721,67 8.635,68 0.218,69 0.962,70 20.135,71 7.666,72 19.251,73 10.895,74 0.161,75 0.96,76 20.765,77 7.961,78 20.122,79 11.321,80 0.203,81 0.879,82 20.052,83 7.454,84 21.503,85 10.516,86 0.137,87 0.775,88 16.919,89 6.352,90 15.874,91 9.297,92 0.116,93 0.659,94 13.719,95 5.124,96 12.808,97 7.521,98 0.071,99 0.633,100 12.437,101 5.126,102 10.171,103 7.486,104 11,105 24,106 0.232,107 0.51,108 0.724,109 0.815,110 0.859,111 0.878,112 2.959,113 1.042,114 -4.6,115 -4.52,116 -4.25,119 41,120 1,121 1,124 1,125 3,140 7,141 2,142 1,169 10,172 3,178 11,181 1,182 4,189 9,193 3,199 5,203 4,211 2,215 4,226 3,233 2,237 1,244 5,256 6,259 392,260 12.405,261 12.405,262 12.405,263 12.405,264 12.405,265 11.119,266 10.139,267 7.759,268 12.654,269 9.363,270 9.363,271 9.363,272 9.363,273 9.363,274 7.483,275 12.126,276 3.592,277 9.752,278 4.006,279 2.477,280 1.299,281 0.795,282 0.552,283 0.449,284 3.621,287 1,288 1,289 1,290 326,291 3.082,295 88.572,299 75.95,302 1.228,303 7.141,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 37.5,315 157,316 4.493,317 3.167,318 6.505,319 4.013,320 3.03,321 4.43,322 0.86,323 10.194,324 2.98,325 3.522,326 2.718,327 5.207,328 3.292,329 2.375,330 2.909,331 0.8,332 6.283,333 2.176,334 3.353,335 2.391,336 5.023,337 3.063,338 2.112,339 2.427,341 6.025,342 2.002,343 3.118,344 1.618,345 4.173,346 2.618,347 1.618,348 2.363,350 3.815,351 1.618,352 2.772,353 1.597,354 3.612,355 2.298,356 1.335,357 1.905,359 2.911,360 1.286,361 2.48,362 1.269,363 3.498,364 2.237,365 1.253,366 1.476,368 2.669,369 1.224,370 2.207,371 1.116,372 3.247,373 1.966,374 1,375 1.162,377 1.975,378 0.96,379 1.894,380 0.863,381 2.885,382 1.701,383 0.735,384 0.849,386 1.395,387 0.707,388 1.198,389 0.192,390 2.396,391 0.896,392 -0.043,393 -0.05,395 -0.096,396 -0.04,397 0.882,398 -0.287,399 2.224,400 0.438,401 -0.52,402 -0.564,404 -0.869,405 -0.494,406 0.726,407 -0.413,408 2,409 0.382,410 -0.618,411 -0.769,413 -1.423,414 -0.618,415 0.453,416 -0.618,417 1.844,418 0.292,419 -0.659,420 -0.927,422 -1.478,423 -0.621,424 0.348,425 -0.85,426 1.475,427 -0.032,428 -1,429 -1.317,431 -2.375,432 -0.959,433 -0.086,434 -1.207,435 1.229,436 -0.441,437 -1.379,438 -1.552,440 -3.192,441 -1.299,442 -0.314,443 -1.391,444 1.178,445 -0.608,446 -1.588,447 -1.778,449 -4.201,450 -1.517,451 8.733,452 0.485,453 0.277,454 0.015,455 21.25,456 1.181,457 10.5,458 0.583,459 10.75,460 0.597,461 13.343,462 0.741,463 20.067,464 0.515,465 12.72,466 0.707,467 4.243,468 0.236,469 4.565,470 0.254,471 0.115,473 0.218,479 0.905,480 1.384,481 0.972,482 1.224,483 0.964,484 1.121,485 1.564,486 0.96,487 1.065,488 0.922,489 1.121,490 0.935,491 1.295,492 0.953,493 1.027,494 0.975,495 1.053,496 0.977,497 1.23,498 1.019,499 0.99,500 1.041,501 0.958,502 1.002,503 1.782,504 0.967,505 1.108,506 0.963,507 1.596,508 0.99,509 1.003,510 0.934,511 0.892,512 0.878,513 0.937,514 0.878,515 1.139,516 0.994,517 1.012,518 0.917,519 1.067,520 0.948,521 0.466,522 1.071,523 1.074,524 1.101,525 0.729,526 1.124,527 2.5,528 0.033,529 1.778,530 0.938,531 0.476,532 0.236,533 0.202,534 0.172,535 0.107,536 0.067,537 2797,538 5324,539 2.026,540 53.8,541 3,542 16,547 2,550 1.583,551 1.929,552 3.102,553 -0.873,555 1,557 1,559 49.892,560 1.279,561 2.808,562 3.986,563 4.49,564 4.734,565 4.836,566 2.483,567 3.572,568 4.139,569 3.224,570 493.319,571 7.008,572 4779.57,573 1,574 1,576 1,577 206.131,578 1.224,579 4.116,580 0.132,581 0.008,582 0.074,583 0.039,584 0.024,585 0.016,586 0.016,587 0.013,588 0.009,589 0.008,590 0.339,591 0.67,592 1,593 1.974,594 77.528,595 0.064,596 -0.189,597 0.061,598 -0.093,599 0.005,600 -0.029,601 -0.141,602 0.159,603 -0.016,604 0.079,605 -0.029,606 0.053,607 0.056,608 0.073,609 -0.007,610 0.017,611 0.079,612 0.003,613 0.004,614 -0.055,615 0.004,616 -0.07,617 0.148,618 -0.035,619 -0.167,620 -0.054,621 -0.097,622 -0.018,623 -0.225,624 -0.051,625 -0.012,626 -0.014,627 0.072,628 0.053,629 0.015,630 0.064,631 -0.108,632 -0.004,633 -0.03,634 0.039,635 -0.111,636 0.012,637 -0.056,638 -0.046,639 -0.139,640 -0.096,641 -0.083,642 -0.119,643 0.759,644 2.395,645 0.556,646 12.642,647 0.981,648 1.125,649 3.37,650 11.354,651 0.643,652 2.996,653 3.219,654 3.434,655 3.638,656 3.784,657 3.714,658 3.761,659 3.784,660 3.761,661 3.466,662 5.156,663 0.59,664 243.38,665 2.996,666 4.466,667 5.273,668 6.107,669 6.936,670 7.782,671 8.622,672 9.473,673 10.32,674 11.175,675 2.6,678 1,687 2,688 7,693 1,695 11,712 1,714 39,716 11,717 2,718 19,720 40,721 16,722 10,723 3,724 7,730 2,731 3,736 1,743 1,745 10,746 6,761 1,764 21,765 2,767 2,773 1,777 0.5,778 1,793 2,797 1,815 1,819 1,823 2,827 18,833 4,835 1,838 1,847 2.6,852 1,854 9.333,855 7.45,856 4.222,857 2.539,858 2.345,859 1.383,860 0.947,861 4.738,862 8.463,863 3.239,864 3.773,865 4.363,866 4.953,867 5.505,868 5.678,869 6.014,870 6.313,871 6.6,872 5.991,873 0.833,874 24,875 6.653,877 2.615,878 7.417,879 13.195,881 10.307,883 1.917,884 34.5,885 0.003,888 247.193,889 105.283,890 3.124,892 11,895 105.283,896 258.193,897 3.124,898 17.222,899 11.338,900 66.334,902 24.514,904 247.193,906 247.193,907 108.407,908 11,911 223.651,912 34.542,915 23.288,916 85.119,919 247.193,920 14.124,921 105.283,924 247.193,925 21.728,926 86.68,928 11,929 247.193,930 14.124,931 105.283,933 0.548,934 0.315,935 0.173,936 0.085,937 10,938 4,939 0.15,940 6,941 1,942 1.2,943 3.122,944 117.61,945 0.2,946 10,947 73.059,951 13.064,952 6.528,953 3.556,954 2.426,955 14.124,956 14.548,961 0.984,964 366.6,965 24.5,975 38.265,976 43.86,977 0.242,978 0.531,979 0.754,980 0.85,981 0.896,982 0.915,983 4.404,984 0.735,985 5.198,986 1.975,987 3.892,988 4.454,989 1.235,990 5.927,991 3.819,992 5.557,993 -0.043,994 6.698,995 1.395,996 3.219,997 4.111,998 0.325,999 6.72,1000 3.099,1001 6.825,1002 -0.52,1003 8.309,1004 -0.096,1005 5.38,1006 6.662,1007 0.938,1008 9.823,1009 5.245,1010 8.14,1011 -0.618,1012 9.991,1013 -0.869,1014 5.602,1015 7.284,1016 0.268,1017 11.548,1018 5.437,1019 9.498,1020 -0.659,1021 11.722,1022 -1.423,1023 7.172,1024 9.252,1025 0.732,1026 14.143,1027 6.998,1028 10.887,1029 -1,1030 13.487,1031 -1.478,1032 7.849,1033 10.343,1034 0.188,1035 16.232,1036 7.66,1037 12.303,1038 -1.379,1039 15.278,1040 -2.375,1041 9.151,1042 12.048,1043 0.57,1044 18.657,1045 8.954,1046 3.03,1047 -1.588,1048 17.087,1049 -3.192,1050 10.054,1051 13.359,1052 0.125,1053 20.887,1054 9.848,1055 2.375,1056 10.194,1057 18.91,1058 -4.201,1059 11.239,1060 14.945,1061 0.438,1062 23.251,1063 11.025,1064 2.112,1065 6.283,1066 20.743,1067 4.43,1068 12.251,1069 16.354,1070 0.082,1071 25.536,1072 12.027,1073 1.618,1074 6.025,1075 22.585,1076 2.909,1077 13.387,1078 17.887,1079 0.334,1080 27.875,1081 13.155,1082 1.335,1083 3.815,1084 24.434,1085 2.427,1086 14.45,1087 19.34,1088 0.054,1089 30.182,1090 14.206,1091 1.253,1092 2.911,1093 26.288,1094 2.363,1095 15.567,1096 20.848,1097 0.252,1098 32.511,1099 15.313,1100 1,1101 2.669,1102 28.145,1103 1.905,1104 16.654,1105 22.321,1106 0.035,1107 34.827,1108 16.386,1109 2871,1110 4058,1111 12.712,1112 25.074,1113 27.046,1114 27.095,1115 27.877,1116 26.967,1117 26.916,1118 35.041,1119 3.32,1120 70.532,1121 25.906,1122 5.398,1123 5.167,1124 6.281,1125 5.068,1126 5.03,1127 7.43,1128 1.72,1129 16.97,1130 4.98,1131 7.469,1132 1.423,1133 1.426,1134 1.467,1135 1.419,1136 1.417,1137 1.844,1138 0.175,1139 3.712,1140 1.363,1141 4.081,1142 4.098,1143 4.035,1144 4.035,1145 4.952,1146 4.032,1147 3.741,1148 3.819,1149 3.596,1150 3.546,1151 4.519,1152 3.546,1153 3.495,1154 3.546,1155 3.38,1156 3.387,1157 4.303,1158 3.379,1159 3.408,1160 3.477,1161 3.223,1162 3.244,1163 4.191,1164 3.229,1165 3.169,1166 3.249,1167 2.998,1168 2.974,1169 3.931,1170 2.971,1171 2.986,1172 3.049,1173 2.796,1174 2.838,1175 3.703,1176 2.814,1177 2.751,1178 2.884,1179 2.539,1180 2.574,1181 3.41,1182 2.559,1183 2.666,1184 2.723,1185 2.394,1186 2.498,1187 3.331,1188 2.453,1189 0.236,1190 0.167,1191 0.342,1192 0.211,1193 0.159,1194 4.493,1195 0.233,1196 3.167,1197 0.045,1198 6.505,1199 0.537,1200 4.013,1201 0.157,1202 3.03,1203 4.43,1204 0.86,1205 10.194,1206 2.98,1207 2.063,1208 2.047,1209 2.146,1210 2.125,1211 1.279,1212 2.132,1213 1.705,1214 1.63,1215 1.962,1216 1.93,1217 1.222,1218 1.944,1219 1.494,1220 1.451,1221 1.762,1222 1.687,1223 0.993,1224 1.718,1225 1.426,1226 1.354,1227 1.655,1228 1.584,1229 0.691,1230 1.612,1231 1.154,1232 1.075,1233 1.523,1234 1.428,1235 0.634,1236 1.462,1237 1.013,1238 0.949,1239 1.283,1240 1.166,1241 0.422,1242 1.201,1243 0.805,1244 0.678,1245 1.24,1246 1.107,1247 0.332,1248 1.17,1249 0.69,1250 0.638,1251 0.948,1252 0.844,1253 0.077,1254 0.881,1255 3.664,1257 4.905,1259 6.361,1261 7.926,1263 9.549,1265 4.331,1271 4.019,1273 5.895,1276 2.297,1280 23.004,1281 49.892,1282 109.525,1283 155.46,1284 175.111,1285 184.621,1286 188.621,1287 21.665,1288 6.118,1289 12.47,1290 12.47,1291 12,1292 11.731,1293 3.585,1294 2.7,1295 31.16,1296 54,1297 62,1298 0.282,1299 145.615,1300 245.43,1301 347.06,1302 3138,1304 12.795,1305 0.711,1306 0.624,1307 12.795,1308 11.225,1309 8.809,1310 0.464,1311 0.347,1312 6.531,1313 8.564,1314 6.294,1315 5.321,1316 8.809,1317 6.601,1318 7.224,1319 0.301,1320 0.193,1321 7.224,1322 4.629,1323 5.777,1324 0.193,1325 0.103,1326 5.777,1327 3.086,1328 4.796,1329 0.13,1330 0.057,1331 4.796,1332 2.127,1333 3.562,1334 0.083,1335 0.029,1336 3.562,1337 1.242,1338 0.441,1339 54.458,1340 0.28,1341 18.364,1342 0.766,1343 86,1344 205.381,1345 91.291,1346 199.93,1347 277.95,1348 190,1349 97,1350 203.215,1351 102.875,1352 208.74,1353 302.19,1354 196,1355 6.987} {0 CHEMBL141706,1 1.332,2 8.105,3 3.996,4 15.967,5 80.68,6 6.056,7 0.5,8 3.811,9 3.956,10 3.187,11 3.309,12 4.763,13 3.246,14 4.369,15 4.591,16 3.475,17 3.689,18 5.212,19 3.588,20 4.618,21 4.882,22 3.477,23 3.802,24 5.4,25 3.661,26 4.676,27 4.957,28 3.387,29 3.811,30 5.384,31 3.64,32 4.681,33 4.974,34 3.296,35 3.769,36 5.389,37 3.566,38 4.671,39 4.982,40 3.167,41 3.697,42 5.348,43 3.487,44 4.54,45 4.848,46 3.101,47 3.594,48 5.239,49 3.391,50 4.364,51 4.657,52 2.985,53 3.463,54 5.1,55 3.272,56 0.063,57 0.601,58 10.701,59 4.097,60 8.273,61 6.044,62 0.131,63 0.95,64 18.362,65 6.495,66 14.962,67 9.942,68 0.188,69 1.107,70 23.158,71 8.091,72 22.495,73 12.359,74 0.199,75 1.137,76 24.282,77 8.511,78 19.429,79 13.049,80 0.235,81 1.093,82 24.097,83 9.041,84 22.619,85 13.443,86 0.203,87 1.031,88 23.655,89 8.502,90 24.765,91 12.815,92 0.225,93 0.927,94 20.84,95 7.391,96 22.838,97 11.273,98 0.132,99 0.8,100 17.516,101 6.318,102 15.484,103 9.585,104 21,105 26,106 0.237,107 0.566,108 0.752,109 0.795,110 0.795,111 0.795,112 3.009,113 1.088,114 -3.85,115 -3.81,116 -3.62,119 37.2,120 2,121 3,125 3,140 3,141 2,142 1,149 1,150 1,169 6,172 3,176 5,178 4,182 3,186 5,189 4,193 1,197 1,199 5,203 1,206 1,207 1,208 1,211 7,215 1,222 5,226 1,229 1,231 2,233 4,242 2,244 4,254 2,256 4,259 434,260 13.016,261 13.016,262 13.016,263 13.016,264 13.016,265 11.834,266 12.061,267 8.029,268 13.227,269 9.812,270 9.812,271 9.812,272 9.812,273 9.812,274 8.028,275 10.995,276 3.654,277 10.174,278 4.094,279 2.246,280 1.204,281 0.965,282 0.965,283 0.965,284 3.668,287 1,288 1,289 1,290 315,291 3.317,294 41.963,295 50.06,298 77.635,302 1.175,303 10.821,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 40,315 154,316 4.547,317 3.174,318 6.544,319 4.073,320 3.088,321 4.502,322 0.8,323 10.345,324 3.041,325 3.649,326 2.809,327 5.349,328 3.418,329 2.49,330 3.066,332 6.964,333 2.313,334 3.485,335 2.514,336 5.134,337 3.202,338 2.245,339 2.678,341 6.161,342 2.141,343 3.296,344 2.077,345 4.948,346 2.879,347 1.91,348 2.448,350 5.682,351 1.843,352 2.723,353 1.331,354 4.133,355 2.265,356 1.282,357 1.821,359 3.45,360 1.259,361 2.259,362 1.298,363 3.356,364 2.237,365 1.247,366 1.247,368 2.131,369 1.233,370 2.247,371 1.091,372 3.247,373 2.006,374 1.033,375 1.196,377 2.117,378 1.002,379 1.984,380 0.84,381 3.152,382 1.708,383 0.747,384 0.914,386 1.502,387 0.716,388 1.481,389 0.431,390 2.559,391 1.313,392 0.339,393 0.382,395 0.645,396 0.329,397 0.976,398 -0.013,399 2.375,400 0.607,401 -0.323,402 -0.394,404 -0.632,405 -0.297,406 0.63,407 -0.287,408 2,409 0.521,410 -0.445,411 -0.445,413 -0.73,414 -0.428,415 0.555,416 -0.485,417 2,418 0.224,419 -0.749,420 -0.84,422 -1.507,423 -0.722,424 0.3,425 -0.883,426 1.77,427 0.061,428 -0.917,429 -1.247,431 -2.599,432 -0.898,433 -0.011,434 -1.056,435 1.555,436 -0.254,437 -1.203,438 -1.392,440 -2.878,441 -1.134,442 -0.087,443 -1.285,444 1.122,445 -0.472,446 -1.426,447 -1.742,449 -3.7,450 -1.373,451 9.133,452 0.481,453 0.345,454 0.018,455 20,456 1.053,457 8.5,458 0.447,459 11.5,460 0.605,461 17.041,462 0.897,463 22.067,464 0.513,465 11.675,466 0.614,467 3.641,468 0.192,469 5.6,470 0.295,471 0.146,473 0.263,479 1.066,480 1.437,481 1.051,482 1.222,483 1.018,484 1.148,485 0.958,486 1.187,487 1.014,488 1.067,489 0.548,490 1.036,491 1.03,492 1.078,493 1.001,494 1.009,495 0.823,496 0.998,497 0.927,498 1.019,499 1.04,500 1.018,501 0.685,502 1.027,503 0.512,504 1.037,505 0.946,506 1.101,507 0.537,508 1.071,509 0.915,510 0.921,511 0.911,512 0.914,513 1.004,514 0.918,515 0.735,516 0.886,517 0.911,518 0.894,519 0.773,520 0.915,521 0.77,522 1.016,523 0.999,524 1.051,525 0.689,526 1.04,527 3.5,528 0.025,529 2,530 0.979,531 0.773,532 0.448,533 0.253,534 0.21,535 0.177,536 0.091,537 3079,538 5981,539 1.995,540 55.8,541 6,542 9,543 1,545 2,547 6,550 1.603,551 1.869,552 3.064,553 0.29,555 1,559 57.29,560 1.332,561 3.18,562 4.222,563 4.461,564 4.461,565 4.461,566 2.439,567 3.827,568 4.219,569 3.194,570 546.098,571 7.186,572 5518.59,574 1,576 1,577 233.329,578 1.384,579 4.178,580 0.175,581 0.006,582 0.077,583 0.039,584 0.035,585 0.024,586 0.015,587 0.013,588 0.013,589 0.011,590 0.408,591 0.83,592 1,593 1.999,594 83.073,595 -0.048,596 -0.129,597 0.029,598 -0.015,599 -0.076,600 0.006,601 -0.045,602 -0.013,603 0.017,604 0.002,605 0.093,606 0.017,607 -0.056,608 -0.028,609 -0.002,610 -0.004,611 0.022,612 0.002,613 -0.07,614 0.003,615 -0.063,616 -0.037,617 -0.006,618 -0.044,619 0.194,620 -0.077,621 -0.003,622 -0.114,623 0.125,624 -0.083,625 -0.027,626 -0.019,627 0.035,628 0.033,629 -0.061,630 0.037,631 0.083,632 0.05,633 0.038,634 0.052,635 -0.009,636 0.041,637 -0.015,638 -0.037,639 -0.045,640 -0.075,641 -0.004,642 -0.061,643 1.327,644 3.595,645 0.474,646 13.607,647 0.983,648 1.134,649 2.62,650 6.863,651 0.624,652 3.045,653 3.296,654 3.526,655 3.761,656 3.892,657 3.892,658 3.932,659 4.007,660 3.784,661 3.664,662 5.139,663 0.571,664 260.42,665 3.045,666 4.533,667 5.352,668 6.205,669 7.052,670 7.915,671 8.775,672 9.644,673 10.511,674 11.385,675 4.7,678 1,683 1,687 2,688 4,690 1,693 2,695 10,711 1,714 43,716 10,717 1,718 20,720 44,721 16,722 8,723 3,724 3,730 2,731 3,736 2,743 3,745 8,746 8,761 1,764 24,765 2,766 2,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,815 1,819 1,823 2,827 19,832 1,833 6,838 1,847 2.3,849 1,854 10.167,855 7.983,856 4.472,857 3.024,858 2.056,859 1.331,860 0.93,861 5.141,862 8.273,863 3.258,864 3.812,865 4.402,866 5.009,867 5.477,868 5.745,869 6.058,870 6.379,871 5.995,872 5.931,873 1,874 25,875 7.041,877 2.819,878 7.509,879 13.988,881 11.211,883 2.009,884 38.167,885 0.002,888 258.964,889 76.95,890 19.91,892 42.683,895 76.95,896 301.648,897 19.91,898 17.65,899 13.921,900 37.476,901 42.683,902 25.668,903 13.915,904 247.193,906 258.964,907 96.86,908 42.683,911 188.338,912 113.31,915 51.481,916 45.379,919 258.964,920 62.593,921 76.95,924 258.964,925 21.823,926 58.251,927 16.786,928 42.683,929 258.964,930 62.593,931 76.95,933 0.551,934 0.319,935 0.18,936 0.095,937 11,938 5,939 0.159,940 7,941 1,942 1.222,943 3.16,944 128.973,945 0.222,946 9,947 74.711,951 14.257,952 6.851,953 3.66,954 2.248,955 45.808,956 7.582,958 3.273,961 1.635,963 59.469,964 398.507,965 25,975 42.251,976 48.773,977 0.246,978 0.586,979 0.778,980 0.822,981 0.822,982 0.822,983 4.449,984 0.747,985 5.303,986 2.117,987 3.97,988 4.494,989 0.673,990 6.066,991 3.902,992 5.619,993 0.339,994 6.828,995 1.502,996 3.434,997 4.311,998 0.325,999 6.899,1000 3.317,1001 6.908,1002 -0.323,1003 8.456,1004 0.645,1005 5.501,1006 6.726,1007 0.379,1008 9.982,1009 5.372,1010 8.243,1011 -0.445,1012 10.146,1013 -0.632,1014 5.832,1015 7.475,1016 0.268,1017 11.7,1018 5.673,1019 9.617,1020 -0.749,1021 11.878,1022 -0.73,1023 7.332,1024 9.345,1025 0.239,1026 14.288,1027 7.162,1028 11.021,1029 -0.917,1030 13.64,1031 -1.507,1032 8.077,1033 10.518,1034 0.188,1035 16.376,1036 7.894,1037 12.447,1038 -1.203,1039 15.425,1040 -2.599,1041 9.344,1042 12.173,1043 0.156,1044 18.801,1045 9.15,1046 3.088,1047 -1.426,1048 17.227,1049 -2.878,1050 10.29,1051 13.537,1052 0.125,1053 21.041,1054 10.089,1055 2.49,1056 10.345,1057 19.044,1058 -3.7,1059 11.462,1060 15.103,1061 0.102,1062 23.409,1063 11.252,1064 2.245,1065 6.964,1066 20.872,1067 4.502,1068 12.503,1069 16.548,1070 0.082,1071 25.707,1072 12.286,1073 1.91,1074 6.161,1075 22.71,1076 3.066,1077 13.64,1078 18.078,1079 0.066,1080 28.056,1081 13.414,1082 1.282,1083 5.682,1084 24.556,1085 2.678,1086 14.725,1087 19.558,1088 0.054,1089 30.377,1090 14.491,1091 1.247,1092 3.45,1093 26.407,1094 2.448,1095 15.852,1096 21.073,1097 0.043,1098 32.718,1099 15.607,1100 1.033,1101 2.131,1102 28.264,1103 1.821,1104 16.957,1105 22.567,1106 0.035,1107 35.048,1108 16.703,1109 3195,1110 4581,1111 13.118,1112 26.841,1113 28.843,1114 28.661,1115 30.125,1116 28.83,1117 28.764,1118 36.507,1119 1.6,1120 77.995,1121 27.753,1122 5.443,1123 5.174,1124 6.346,1125 5.088,1126 5.088,1127 7.502,1128 1.2,1129 17.011,1130 5.041,1131 9.438,1132 1.442,1133 1.433,1134 1.506,1135 1.441,1136 1.438,1137 1.825,1138 0.08,1139 3.9,1140 1.388,1141 4.129,1142 4.162,1143 4.086,1144 4.043,1145 6.471,1146 4.05,1147 3.773,1148 3.849,1149 3.633,1150 3.598,1151 4.923,1152 3.595,1153 3.501,1154 3.586,1155 3.381,1156 3.365,1157 4.309,1158 3.358,1159 3.488,1160 3.537,1161 3.279,1162 3.348,1163 4.13,1164 3.32,1165 3.286,1166 3.367,1167 3.112,1168 3.075,1169 4.04,1170 3.076,1171 3.002,1172 3.096,1173 2.83,1174 2.815,1175 3.88,1176 2.811,1177 2.84,1178 2.921,1179 2.601,1180 2.656,1181 3.686,1182 2.628,1183 2.698,1184 2.832,1185 2.393,1186 2.447,1187 3.396,1188 2.4,1189 0.227,1190 0.159,1191 0.327,1192 0.204,1193 0.154,1194 4.547,1195 0.225,1196 3.174,1197 0.04,1198 6.544,1199 0.517,1200 4.073,1201 0.152,1202 3.088,1203 4.502,1204 0.8,1205 10.345,1206 3.041,1207 1.934,1208 1.915,1209 2.032,1210 2.024,1211 1.314,1212 2.027,1213 1.759,1214 1.69,1215 1.979,1216 1.961,1217 1.178,1218 1.971,1219 1.584,1220 1.524,1221 1.861,1222 1.766,1223 1.09,1224 1.785,1225 1.539,1226 1.459,1227 1.802,1228 1.738,1229 1,1230 1.781,1231 1.252,1232 1.169,1233 1.52,1234 1.515,1235 0.634,1236 1.527,1237 1.031,1238 0.966,1239 1.357,1240 1.296,1241 0.478,1242 1.319,1243 0.857,1244 0.772,1245 1.24,1246 1.079,1247 0.403,1248 1.131,1249 0.758,1250 0.68,1251 1.127,1252 1.062,1253 0.23,1254 1.098,1255 3.714,1257 4.977,1258 2.398,1259 6.435,1260 4.727,1261 7.991,1262 6.823,1263 9.602,1265 4.457,1270 9.595,1271 6.861,1276 2.516,1280 24.552,1281 57.29,1282 136.761,1283 181.555,1284 191.82,1285 191.82,1286 191.82,1287 28.301,1288 6.217,1289 39.26,1290 39.26,1291 11,1292 11.927,1293 3.459,1294 2.585,1295 33.68,1296 58,1297 54,1298 0.29,1299 155.336,1300 259.07,1301 370.781,1302 3361,1304 13.665,1305 0.719,1306 0.629,1307 13.665,1308 11.946,1309 9.241,1310 0.462,1311 0.363,1312 7.19,1313 8.996,1314 6.959,1315 5.88,1316 9.241,1317 7.255,1318 7.7,1319 0.296,1320 0.198,1321 7.7,1322 5.135,1323 6.164,1324 0.187,1325 0.107,1326 6.164,1327 3.528,1328 5.123,1329 0.122,1330 0.062,1331 5.123,1332 2.62,1333 3.89,1334 0.081,1335 0.035,1336 3.89,1337 1.67,1338 0.45,1339 57.088,1340 0.276,1341 19.101,1342 0.805,1343 92,1344 206.128,1345 97.906,1346 204.579,1347 283,1348 192,1349 105,1350 210.115,1351 111.157,1352 215.11,1353 312.24,1354 203,1355 6.086} {0 CHEMBL142629,1 1.379,2 7.294,3 2.949,4 8.694,5 71.632,6 6.28,7 0.556,8 3.674,9 3.816,10 3.086,11 3.171,12 4.669,13 3.119,14 4.214,15 4.431,16 3.388,17 3.546,18 5.109,19 3.463,20 4.439,21 4.688,22 3.379,23 3.665,24 5.275,25 3.543,26 4.499,27 4.755,28 3.229,29 3.678,30 5.273,31 3.5,32 4.564,33 4.89,34 3.078,35 3.538,36 5.266,37 3.322,38 4.298,39 4.596,40 2.951,41 3.343,42 5.059,43 3.173,44 4.109,45 4.368,46 2.855,47 3.253,48 4.958,49 3.088,50 4.075,51 4.376,52 2.547,53 3.105,54 4.823,55 2.897,56 0.053,57 0.524,58 9.059,59 3.421,60 7.52,61 5.027,62 0.117,63 0.825,64 15.602,65 5.36,66 13.912,67 8.228,68 0.178,69 0.948,70 19.496,71 6.727,72 19.452,73 10.191,74 0.134,75 0.973,76 20.359,77 7.654,78 17.33,79 11.385,80 0.238,81 0.911,82 21.645,83 7.615,84 24.957,85 11.56,86 0.171,87 0.722,88 16.765,89 5.625,90 21.029,91 8.556,92 0.179,93 0.649,94 13.976,95 4.71,96 18.231,97 7.219,98 0.124,99 0.576,100 13.306,101 4.481,102 12.97,103 6.891,104 17,105 24,106 0.254,107 0.597,108 0.752,109 0.803,110 0.803,111 0.803,112 2.907,113 1.043,114 -3.34,115 -3.33,116 -3.19,119 37.8,120 2,121 1,125 3,140 3,141 2,142 1,149 1,150 1,169 4,172 3,176 5,178 4,182 1,186 5,189 4,193 1,197 1,199 5,203 1,206 1,207 1,208 1,211 3,215 1,222 2,226 1,229 1,231 2,233 2,244 2,254 2,256 2,259 318,260 11.602,261 11.602,262 11.602,263 11.602,264 11.602,265 10.42,266 12.061,267 6.818,268 11.884,269 8.736,270 8.736,271 8.736,272 8.736,273 8.736,274 6.952,275 10.995,276 3.065,277 9.116,278 3.831,279 1.968,280 1.129,281 0.852,282 0.852,283 0.852,284 3.56,287 1,288 1,289 1,290 254,291 3,294 35.399,295 42.172,298 65.516,302 1.135,303 10.176,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 36,315 124,316 4.547,317 3.174,318 6.544,319 4.073,320 3.088,321 4.502,322 0.8,323 10.344,324 3.041,325 3.648,326 2.782,327 5.304,328 3.379,329 2.453,330 3.065,332 6.722,333 2.279,334 3.453,335 2.511,336 5.122,337 3.193,338 2.239,339 2.676,341 6.126,342 2.123,343 3.284,344 2.073,345 4.948,346 2.872,347 1.904,348 2.405,350 5.674,351 1.836,352 2.72,353 1.321,354 4.131,355 2.251,356 1.271,357 1.818,359 3.44,360 1.244,361 2.236,362 0.983,363 3.323,364 1.855,365 0.898,366 1.148,368 1.996,369 0.857,370 1.75,371 0.744,372 3.079,373 1.591,374 0.618,375 0.642,377 1.164,378 0.6,379 1.618,380 0.63,381 2.618,382 1.501,383 0.535,384 0.618,386 0.791,387 0.515,388 1.053,389 0.095,390 2.376,391 0.812,392 -0.152,393 -0.168,395 -0.242,396 -0.145,397 0.764,398 -0.238,399 2.28,400 0.512,401 -0.432,402 -0.51,404 -0.889,405 -0.405,406 0.589,407 -0.733,408 2,409 0.136,410 -0.858,411 -1.123,413 -2.533,414 -0.852,415 0.122,416 -0.894,417 1.832,418 -0.144,419 -1.08,420 -1.363,422 -2.84,423 -1.004,424 -0.066,425 -1.212,426 1.13,427 -0.455,428 -1.393,429 -1.618,431 -3.59,432 -1.31,433 -0.305,434 -1.344,435 0.974,436 -0.652,437 -1.611,438 -1.706,440 -3.791,441 -1.5,442 -0.424,443 -1.499,444 0.799,445 -0.691,446 -1.618,447 -2.013,449 -4.566,450 -1.538,451 8.133,452 0.478,453 0.345,454 0.02,455 19,456 1.118,457 8.5,458 0.5,459 10.5,460 0.618,461 13.637,462 0.802,463 19.467,464 0.526,465 11.103,466 0.653,467 3.684,468 0.217,469 4.556,470 0.268,471 0.164,473 0.295,479 1.066,480 1.427,481 1.005,482 1.183,483 1.025,484 1.101,485 0.969,486 1.143,487 0.958,488 0.996,489 0.542,490 0.963,491 1.117,492 0.976,493 1.036,494 0.953,495 0.862,496 0.972,497 0.741,498 1.251,499 1.133,500 1.285,501 0.728,502 1.256,503 0.465,504 0.835,505 0.754,506 0.883,507 0.51,508 0.855,509 1.135,510 0.882,511 0.895,512 0.83,513 1.223,514 0.841,515 1,516 1.13,517 1.186,518 1.134,519 1.021,520 1.171,521 0.937,522 0.914,523 1.106,524 1.039,525 0.808,526 1.069,527 3.5,529 2,530 0.979,531 0.693,532 0.393,533 0.253,534 0.21,535 0.115,536 0.031,537 2213,538 4643,539 1.994,540 54.1,542 9,543 1,545 2,547 8,550 1.569,551 1.855,552 2.915,553 0.353,555 1,556 1,557 1,559 51.008,560 1.379,561 3.242,562 4.08,563 4.358,564 4.358,565 4.358,566 2.278,567 3.455,568 4.058,569 3.035,570 412.771,571 6.859,572 3772.23,573 1,574 1,576 1,577 192.75,578 1.447,579 4.01,580 0.194,582 0.083,583 0.043,584 0.039,585 0.026,586 0.018,587 0.018,588 0.014,589 0.008,590 0.443,591 0.83,592 1,593 1.767,594 70.544,595 -0.065,596 -0.145,597 0.028,598 -0.015,599 -0.103,600 0.008,601 -0.058,602 0.025,603 0.049,604 0.048,605 0.094,606 0.063,607 -0.123,608 0.092,609 -0.042,610 0.049,611 -0.004,612 0.022,613 -0.038,614 -0.236,615 -0.187,616 -0.256,617 -0.042,618 -0.24,619 0.246,620 0.031,621 0.175,622 0.039,623 0.16,624 0.09,625 -0.064,626 0.024,627 0.078,628 0.105,629 -0.093,630 0.104,631 0.012,632 -0.102,633 -0.201,634 -0.159,635 -0.083,636 -0.199,637 -0.089,638 0.032,639 -0.152,640 -0.112,641 -0.06,642 -0.126,643 1.332,644 3.519,645 0.529,646 11.1,647 0.986,648 1.134,649 2.114,650 4.47,651 0.63,652 2.944,653 3.219,654 3.466,655 3.664,656 3.807,657 3.829,658 3.85,659 3.892,660 3.584,661 3.296,662 4.627,663 0.581,664 232.36,665 2.944,666 4.443,667 5.273,668 6.129,669 6.984,670 7.85,671 8.715,672 9.587,673 10.458,674 11.334,675 5.4,678 1,683 1,687 2,688 4,690 1,693 2,695 10,711 1,714 37,716 10,717 1,718 18,720 38,721 14,722 8,723 3,724 3,730 2,731 3,736 2,743 1,745 8,746 6,761 1,764 20,765 2,766 2,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,815 1,819 1,823 2,827 17,832 1,833 4,838 1,847 2.7,849 1,854 9.167,855 6.983,856 3.972,857 2.524,858 2.073,859 1.343,860 0.935,861 3.946,862 8.109,863 3.178,864 3.767,865 4.377,866 4.981,867 5.46,868 5.735,869 6.044,870 6.356,871 5.925,872 5.765,873 0.8,874 23,875 6.283,877 2.532,878 7.569,879 12.355,881 9.878,883 2.069,884 35.167,885 0.004,888 211.88,889 71.881,890 19.91,892 42.683,895 71.881,896 254.563,897 19.91,898 17.65,899 8.852,900 37.476,901 42.683,902 25.668,903 13.915,904 200.109,906 211.88,907 91.791,908 42.683,911 117.711,912 136.852,915 46.412,916 45.379,919 211.88,920 62.593,921 71.881,924 211.88,925 16.754,926 58.251,927 16.786,928 42.683,929 211.88,930 62.593,931 71.881,933 0.565,934 0.339,935 0.17,936 0.086,937 11,938 5,939 0.132,940 5,941 1,942 1.222,943 2.94,944 111.979,945 0.222,946 9,947 65.487,951 12.305,952 5.452,953 2.749,954 2.231,955 45.808,956 7.523,958 3.246,961 1.615,963 59.469,964 346.354,965 23,975 36.483,976 41.943,977 0.265,978 0.622,979 0.783,980 0.837,981 0.837,982 0.837,983 4.376,984 0.535,985 5.242,986 1.164,987 3.892,988 4.449,989 0.673,990 6.019,991 3.817,992 5.567,993 -0.152,994 6.783,995 0.791,996 3.434,997 4.311,998 0.325,999 6.899,1000 3.317,1001 6.87,1002 -0.432,1003 8.424,1004 -0.242,1005 5.451,1006 6.712,1007 0.379,1008 9.951,1009 5.318,1010 8.215,1011 -0.858,1012 10.122,1013 -0.889,1014 5.832,1015 7.475,1016 0.268,1017 11.687,1018 5.673,1019 9.597,1020 -1.08,1021 11.86,1022 -2.533,1023 7.298,1024 9.34,1025 0.239,1026 14.269,1027 7.129,1028 11.006,1029 -1.393,1030 13.625,1031 -2.84,1032 8.069,1033 10.518,1034 0.188,1035 16.364,1036 7.887,1037 12.436,1038 -1.611,1039 15.411,1040 -3.59,1041 9.319,1042 12.172,1043 0.156,1044 18.79,1045 9.129,1046 3.088,1047 -1.618,1048 17.215,1049 -3.791,1050 10.277,1051 13.536,1052 0.125,1053 21.033,1054 10.08,1055 2.453,1056 10.344,1057 19.033,1058 -4.566,1059 11.443,1060 15.103,1061 0.102,1062 23.403,1063 11.239,1064 2.239,1065 6.722,1066 20.862,1067 4.502,1068 12.491,1069 16.548,1070 0.082,1071 25.703,1072 12.278,1073 1.904,1074 6.126,1075 22.701,1076 3.065,1077 13.626,1078 18.078,1079 0.066,1080 28.052,1081 13.406,1082 1.271,1083 5.674,1084 24.548,1085 2.676,1086 14.715,1087 19.558,1088 0.054,1089 30.375,1090 14.485,1091 0.898,1092 3.44,1093 26.4,1094 2.405,1095 15.841,1096 21.073,1097 0.043,1098 32.716,1099 15.602,1100 0.618,1101 1.996,1102 28.258,1103 1.818,1104 16.949,1105 22.567,1106 0.035,1107 35.047,1108 16.699,1109 2315,1110 3449,1111 11.731,1112 23.319,1113 26.069,1114 25.999,1115 27.568,1116 26.054,1117 26.01,1118 33.748,1119 1.6,1120 72.514,1121 24.991,1122 5.421,1123 5.174,1124 6.162,1125 5.079,1126 5.088,1127 7.502,1128 1.2,1129 17.01,1130 5.041,1131 8.601,1132 1.448,1133 1.444,1134 1.532,1135 1.447,1136 1.445,1137 1.875,1138 0.089,1139 4.029,1140 1.388,1141 4.128,1142 4.161,1143 4.086,1144 4.043,1145 6.471,1146 4.049,1147 3.731,1148 3.811,1149 3.592,1150 3.542,1151 4.923,1152 3.543,1153 3.465,1154 3.511,1155 3.364,1156 3.329,1157 4.311,1158 3.327,1159 3.306,1160 3.407,1161 3.041,1162 3.123,1163 4.126,1164 3.089,1165 3.22,1166 3.305,1167 3.04,1168 3.012,1169 3.892,1170 3.01,1171 2.906,1172 2.971,1173 2.748,1174 2.771,1175 3.818,1176 2.758,1177 2.586,1178 2.72,1179 2.393,1180 2.325,1181 3.585,1182 2.317,1183 2.544,1184 2.595,1185 2.28,1186 2.256,1187 3.136,1188 2.249,1189 0.253,1190 0.176,1191 0.364,1192 0.226,1193 0.172,1194 4.547,1195 0.25,1196 3.174,1197 0.044,1198 6.544,1199 0.575,1200 4.073,1201 0.169,1202 3.088,1203 4.502,1204 0.8,1205 10.344,1206 3.041,1207 1.934,1208 1.915,1209 2.026,1210 2.022,1211 1.276,1212 2.024,1213 1.726,1214 1.657,1215 1.948,1216 1.939,1217 1.123,1218 1.947,1219 1.543,1220 1.477,1221 1.768,1222 1.74,1223 0.952,1224 1.751,1225 1.351,1226 1.256,1227 1.725,1228 1.584,1229 0.869,1230 1.638,1231 1.194,1232 1.116,1233 1.463,1234 1.456,1235 0.554,1236 1.469,1237 0.939,1238 0.89,1239 1.161,1240 1.156,1241 0.26,1242 1.158,1243 0.757,1244 0.692,1245 1.073,1246 0.99,1247 0.179,1248 1.016,1249 0.557,1250 0.422,1251 1.002,1252 0.904,1253 0.088,1254 0.95,1255 3.611,1257 4.89,1258 2.398,1259 6.368,1260 4.727,1261 7.936,1262 6.823,1263 9.555,1265 4.37,1270 9.519,1271 4.259,1276 2.404,1280 21.499,1281 51.008,1282 119.937,1283 150.975,1284 161.24,1285 161.24,1286 161.24,1287 22.586,1288 6.035,1289 39.26,1290 39.26,1291 11,1292 11.874,1293 3.459,1294 2.585,1295 28.467,1296 46,1297 43,1298 0.311,1299 136.152,1300 224.47,1301 323.97,1302 2605,1304 12.251,1305 0.721,1306 0.62,1307 12.251,1308 10.532,1309 8.241,1310 0.458,1311 0.348,1312 6.19,1313 7.98,1314 5.986,1315 5.015,1316 8.241,1317 6.255,1318 6.939,1319 0.289,1320 0.18,1321 6.939,1322 4.321,1323 5.924,1324 0.191,1325 0.108,1326 5.924,1327 3.343,1328 4.571,1329 0.12,1330 0.058,1331 4.571,1332 2.192,1333 3.382,1334 0.077,1335 0.029,1336 3.382,1337 1.269,1338 0.476,1339 51.088,1340 0.292,1341 17.133,1342 0.881,1343 84,1344 198.128,1345 89.906,1346 196.003,1347 271.36,1348 184,1349 97,1350 202.115,1351 102.824,1352 206.197,1353 299.42,1354 195,1355 7.114} {0 CHEMBL143510,1 1.919,2 9.542,3 4.911,4 24.114,5 86.154,6 8.475,7 0.4,8 3.869,9 3.968,10 3.685,11 3.351,12 4.967,13 3.336,14 4.478,15 4.637,16 4.122,17 3.684,18 6.193,19 3.691,20 4.663,21 4.854,22 4.046,23 3.802,24 6.44,25 3.762,26 4.626,27 4.839,28 3.76,29 3.868,30 5.652,31 3.744,32 4.781,33 5.052,34 3.796,35 3.797,36 5.888,37 3.685,38 4.622,39 4.865,40 3.812,41 3.659,42 5.845,43 3.607,44 4.453,45 4.638,46 3.745,47 3.593,48 5.791,49 3.553,50 4.505,51 4.733,52 3.587,53 3.447,54 5.842,55 3.389,56 0.212,57 0.815,58 10.526,59 4.61,60 40.682,61 4.877,62 1.193,63 1.615,64 22.789,65 7.215,66 202.424,67 8.053,68 1.617,69 1.182,70 24.92,71 8.108,72 249.27,73 10.378,74 0.565,75 1.223,76 23.916,77 9.536,78 64.822,79 12.197,80 0.927,81 1.288,82 32.739,83 10.13,84 112.135,85 13.576,86 0.974,87 1.292,88 27.596,89 8.203,90 129.552,91 9.851,92 0.709,93 1.189,94 22.265,95 7.293,96 82.4,97 8.178,98 0.877,99 1.138,100 24.241,101 6.683,102 112.148,103 8.418,104 68,105 37,106 0.338,107 0.63,108 0.758,109 0.8,110 0.8,111 0.8,112 3.228,113 1.07,114 -3.43,115 -3.41,116 -3.26,119 34.9,120 2,121 1,125 3,132 1,140 3,141 2,142 1,149 1,150 1,169 4,171 3,172 5,176 3,178 4,182 3,186 3,189 4,193 6,199 5,203 6,206 2,211 3,215 3,222 2,225 1,226 3,229 2,231 2,233 2,244 2,248 2,249 2,256 2,259 822,260 15.267,261 15.267,262 15.267,263 15.267,264 15.267,265 13.837,266 15.582,267 8.59,268 16.019,269 12.168,270 12.168,271 12.168,272 12.168,273 12.168,274 9.848,275 14.601,276 3.888,277 13.411,278 3.508,279 1.85,280 1.129,281 0.89,282 0.89,283 0.89,284 3.88,288 1,289 1,290 456,291 4.69,294 58.862,295 66.34,298 104.841,302 1.708,303 45.987,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.5,315 229,316 4.999,317 5.697,318 8.104,319 4.515,320 3.69,321 4.702,322 6.006,323 14.439,324 3.104,325 4.547,326 3.799,327 6.547,328 4.072,329 3.09,330 4.496,331 1.914,332 10.363,333 3.017,334 3.696,335 3.162,336 5.548,337 3.388,338 2.463,339 3.093,340 0.8,341 7.326,342 2.282,343 3.467,344 2.779,345 5.298,346 3.268,347 2.362,348 2.686,350 6.699,351 2.143,352 3.323,353 2.471,354 5.107,355 2.928,356 1.995,357 2.406,359 6.009,360 1.858,361 3.263,362 2.078,363 4.969,364 2.77,365 1.855,366 2.368,368 5.694,369 1.599,370 2.722,371 1.361,372 4.147,373 2.251,374 1.271,375 1.82,377 3.468,378 1.244,379 2.243,380 1.256,381 3.4,382 1.858,383 0.901,384 1.155,386 2.021,387 0.86,388 1.759,389 0.953,390 3.29,391 1.591,392 0.618,393 0.652,395 1.203,396 0.6,397 1.618,398 0.744,399 3.076,400 1.51,401 0.544,402 0.618,404 0.791,405 0.524,406 1.226,407 0.608,408 2.768,409 0.892,410 -0.052,411 -0.062,413 -0.113,414 -0.049,415 1,416 0.51,417 2.618,418 0.678,419 -0.292,420 -0.324,422 -0.556,423 -0.282,424 0.828,425 0.51,426 2.334,427 0.147,428 -0.832,429 -1,431 -2.215,432 -0.7,433 0.629,434 0.074,435 2.265,436 0.136,437 -0.859,438 -1,440 -2.67,441 -0.7,442 0.492,443 -0.116,444 2,446 -1,447 -1.004,449 -3,450 -0.809,451 10.99,452 0.458,453 0.911,454 0.038,455 27,456 1.125,457 11.5,458 0.479,459 15.5,460 0.646,461 21.071,462 0.878,463 29.21,464 0.679,465 22.769,466 0.949,467 5.258,468 0.219,469 5.917,470 0.247,471 0.23,472 0.121,473 0.218,478 3,479 0.553,480 1.177,481 0.748,482 1.442,483 0.624,484 1.101,485 0.41,486 0.828,487 0.587,488 1.032,489 0.403,490 0.906,491 0.329,492 0.655,493 0.612,494 0.707,495 0.205,496 0.875,497 0.399,498 0.814,499 0.863,500 1.199,501 0.316,502 1.282,503 0.508,504 0.728,505 0.615,506 0.846,507 0.496,508 0.875,509 0.994,510 0.962,511 0.755,512 0.775,513 0.915,514 0.783,515 0.892,516 1.171,517 1.171,518 1.31,519 0.858,520 1.207,521 0.899,522 0.978,523 0.982,524 1.101,525 0.986,526 1.138,527 7.5,528 0.165,529 4,530 1.604,531 1.293,532 0.761,533 0.748,534 0.647,535 0.283,536 0.171,537 5522,538 20930,539 1.884,540 44.2,542 9,543 1,545 1,547 8,550 1.67,551 1.694,552 3.234,553 -0.177,559 82.506,560 1.919,561 3.576,562 4.298,563 4.536,564 4.536,565 4.536,566 2.654,567 3.887,568 4.555,569 3.432,570 947.265,571 7.866,572 11255.7,574 1,577 233.329,578 1.815,579 4.448,580 0.3,581 0.015,582 0.108,583 0.043,584 0.045,585 0.026,586 0.026,587 0.023,588 0.013,589 0.014,590 0.614,591 0.33,592 1,593 1.873,594 114.248,595 0.021,596 -0.143,597 0.201,598 -0.154,599 -0.108,600 -0.02,601 0.468,602 0.181,603 0.32,604 -0.012,605 0.412,606 0.065,607 0.516,608 0.204,609 0.185,610 0.168,611 0.563,612 0.086,613 0.056,614 -0.108,615 -0.051,616 -0.198,617 0.078,618 -0.202,619 0.102,620 -0.098,621 0.257,622 0.025,623 0.086,624 0.169,625 -0.103,626 -0.072,627 0.166,628 0.137,629 -0.069,630 0.215,631 -0.059,632 -0.191,633 -0.193,634 -0.252,635 -0.049,636 -0.216,637 -0.013,638 -0.134,639 -0.058,640 -0.209,641 -0.068,642 -0.179,643 6.703,644 4.415,645 0.375,646 21.521,647 1.038,648 1.156,649 2.196,650 4.823,651 0.638,652 3.258,653 3.638,654 3.829,655 3.912,656 4.094,657 4.205,658 4.394,659 4.543,660 4.419,661 4.331,662 5.972,663 0.623,664 364.43,665 3.258,666 4.828,667 5.666,668 6.555,669 7.424,670 8.312,671 9.192,672 10.082,673 10.968,674 11.859,675 4.7,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 43,716 12,717 1,718 25,720 44,721 15,722 8,723 3,724 3,730 2,731 3,736 2,743 1,745 8,746 7,750 2,753 1,755 2,762 3,764 19,765 7,766 1,767 9,768 1,773 2,777 0.5,778 3,788 1,792 1,793 1,796 1,815 1,819 1,821 1,823 2,825 3,827 24,831 1,833 4,835 1,838 1,839 1,846 3,847 7,850 2,852 1,854 14.167,855 8.129,856 5.243,857 2.747,858 2.201,859 1.327,860 0.958,861 5.713,862 8.941,863 3.497,864 4.147,865 4.631,866 5.125,867 5.623,868 5.997,869 6.468,870 6.87,871 6.794,872 6.926,873 1,874 37,875 12.299,877 4.9135,878 8.535,879 16.237,881 13.206,883 3.035,884 72.833,887 1,888 211.88,889 90.999,890 19.91,892 52.858,893 44.88,894 7.75,895 83.249,896 264.738,897 64.79,898 17.65,899 8.852,900 45.226,901 44.313,902 84.338,903 13.915,904 200.109,905 6.125,906 211.88,907 103.159,908 97.739,909 7.75,911 117.711,912 147.027,913 44.88,914 6.125,915 46.412,916 50.622,917 7.75,919 256.76,920 72.768,921 90.999,923 7.75,924 218.005,925 21.998,926 58.251,927 16.786,928 97.739,929 211.88,930 117.649,931 90.999,933 0.601,934 0.349,935 0.141,936 0.07,937 17,938 9,939 0.159,940 7,941 1,942 1.222,943 3.413,944 186.05,945 0.222,946 9,947 99.284,950 1,951 18.942,952 7.239,953 4.38,954 1.36,955 100.863,956 5.774,958 3.022,961 0.537,963 16.786,964 420.527,965 32,968 -5.667,970 22.224,975 44.636,976 49.716,977 0.354,978 0.659,979 0.792,980 0.836,981 0.836,982 0.836,983 4.775,984 0.901,985 5.759,986 3.468,987 4.317,988 4.832,989 4.166,990 6.678,991 4.146,992 6.056,993 0.618,994 7.421,995 2.021,996 4.369,997 5.139,998 4.964,999 8.184,1000 3.996,1001 7.451,1002 0.544,1003 9.216,1004 1.203,1005 6.129,1006 7.234,1007 7.403,1008 11.2,1009 5.743,1010 8.892,1011 -0.052,1012 11.095,1013 0.791,1014 6.948,1015 8.308,1016 8.78,1017 13.492,1018 6.341,1019 10.37,1020 -0.292,1021 13.031,1022 -0.113,1023 8.336,1024 10.022,1025 10.87,1026 16.226,1027 7.675,1028 11.875,1029 -0.832,1030 15.007,1031 -0.556,1032 9.447,1033 11.381,1034 12.462,1035 18.772,1036 8.578,1037 13.4,1038 -0.859,1039 17.013,1040 -2.215,1041 10.744,1042 12.978,1043 14.399,1044 21.449,1045 9.772,1046 3.69,1047 -1,1048 19.041,1049 -2.67,1050 11.965,1051 14.443,1052 16.093,1053 24.074,1054 10.801,1055 3.09,1056 14.439,1057 21.085,1058 -3,1059 13.247,1060 15.999,1061 17.956,1062 26.741,1063 11.947,1064 2.463,1065 10.363,1066 23.141,1067 4.702,1068 14.51,1069 17.504,1070 19.7,1071 29.393,1072 13.029,1073 2.362,1074 7.326,1075 25.205,1076 4.496,1077 15.794,1078 19.045,1079 21.527,1080 32.059,1081 14.157,1082 1.995,1083 6.699,1084 27.276,1085 3.093,1086 17.076,1087 20.567,1088 23.296,1089 34.722,1090 15.261,1091 1.855,1092 6.009,1093 29.353,1094 2.686,1095 18.365,1096 22.103,1097 25.105,1098 37.389,1099 16.385,1100 1.271,1101 5.694,1102 31.433,1103 2.406,1104 19.656,1105 23.632,1106 26.886,1107 40.055,1108 17.498,1109 5789,1110 11802,1111 15.197,1112 27.449,1113 37.677,1114 38.266,1115 39.777,1116 37.825,1117 37.58,1118 47.99,1119 17.44,1120 116.028,1121 34.456,1122 5.874,1123 7.697,1124 7.722,1125 5.586,1126 5.69,1127 7.702,1128 10.217,1129 22.67,1130 5.104,1131 16.414,1132 1.507,1133 1.531,1134 1.591,1135 1.513,1136 1.503,1137 1.92,1138 0.698,1139 4.641,1140 1.378,1141 4.145,1142 4.168,1143 4.739,1144 4.059,1145 8.518,1146 4.058,1147 3.939,1148 3.871,1149 4.076,1150 3.856,1151 7.999,1152 3.737,1153 3.729,1154 3.808,1155 3.59,1156 3.539,1157 7.999,1158 3.539,1159 3.429,1160 3.479,1161 3.335,1162 3.31,1163 7.707,1164 3.3,1165 3.306,1166 3.407,1167 3.083,1168 3.123,1169 6.999,1170 3.089,1171 3.206,1172 3.291,1173 3.04,1174 3,1175 4.978,1176 2.997,1177 2.929,1178 2.974,1179 3.012,1180 2.765,1181 4.462,1182 2.754,1183 2.867,1184 2.893,1185 2.739,1186 2.365,1187 4.303,1188 2.474,1189 0.2,1190 0.228,1191 0.324,1192 0.181,1193 0.148,1194 4.999,1195 0.188,1196 5.697,1197 0.24,1198 8.104,1199 0.578,1200 4.515,1201 0.124,1202 3.69,1203 4.702,1204 6.006,1205 14.439,1206 3.104,1207 1.942,1208 1.931,1209 2.024,1210 2.033,1211 1.277,1212 2.036,1213 1.728,1214 1.688,1215 1.947,1216 1.942,1217 1.131,1218 1.951,1219 1.586,1220 1.641,1221 1.768,1222 1.793,1223 0.957,1224 1.799,1225 1.543,1226 1.476,1227 1.725,1228 1.736,1229 0.869,1230 1.751,1231 1.351,1232 1.256,1233 1.461,1234 1.584,1235 0.637,1236 1.638,1237 1.179,1238 1.097,1239 1.168,1240 1.433,1241 0.552,1242 1.45,1243 0.916,1244 0.864,1245 1.095,1246 1.125,1247 0.258,1248 1.127,1249 0.737,1250 0.674,1251 1.06,1252 1.008,1253 0.179,1254 0.997,1255 3.932,1257 5.293,1258 2.398,1259 6.838,1260 4.727,1261 8.463,1262 6.823,1263 10.128,1265 4.097,1267 37.245,1271 3.289,1273 4.19,1276 2.216,1277 -5.453,1280 26.792,1281 82.506,1282 153.762,1283 184.8,1284 195.065,1285 195.065,1286 195.065,1287 62.937,1288 6.739,1289 62.4,1290 70.78,1291 11,1292 12.388,1293 3.7,1294 3,1295 48.413,1296 85,1297 83,1298 0.284,1299 168.462,1300 296.07,1301 402.807,1302 6485,1303 7,1304 17.958,1305 0.748,1306 0.59,1307 15.708,1308 14.168,1309 11.175,1310 0.447,1311 0.357,1312 7.451,1313 9.765,1314 7.183,1315 5.951,1316 10.852,1317 8.915,1318 11.038,1319 0.298,1320 0.184,1321 10.847,1322 6.819,1323 8.6,1324 0.191,1325 0.107,1326 7.122,1327 4.799,1328 5.655,1329 0.115,1330 0.058,1331 6.019,1332 2.86,1333 4.258,1334 0.072,1335 0.03,1336 4.273,1337 1.741,1338 0.443,1339 80.147,1340 0.257,1341 23.335,1342 0.789,1343 124,1344 604.378,1345 199.606,1346 511.987,1347 655.76,1348 466,1349 144,1350 426.108,1351 216.052,1352 446.994,1353 678.35,1354 415,1355 7.678} {0 CHEMBL143512,1 2.128,2 7.95,3 3.245,4 10.532,5 66.588,6 9.945,7 0.476,8 3.593,9 3.672,10 3.552,11 3.088,12 4.826,13 3.108,14 4.169,15 4.27,16 4.012,17 3.419,18 6.115,19 3.471,20 4.343,21 4.491,22 3.905,23 3.479,24 6.367,25 3.485,26 4.182,27 4.36,28 3.575,29 3.459,30 5.423,31 3.397,32 4.246,33 4.436,34 3.61,35 3.327,36 5.694,37 3.31,38 4.181,39 4.382,40 3.525,41 3.124,42 5.667,43 3.146,44 3.922,45 4.094,46 3.393,47 2.877,48 5.543,49 2.934,50 3.796,51 3.958,52 3.219,53 2.528,54 5.535,55 2.656,56 0.271,57 0.672,58 5.827,59 3.35,60 62.307,61 2.666,62 1.062,63 1.382,64 12.591,65 5.602,66 203.451,67 4.736,68 1.493,69 0.866,70 14.714,71 5.928,72 239.288,73 6.469,74 0.657,75 0.864,76 13.534,77 5.98,78 87.283,79 6.56,80 0.861,81 0.915,82 15.009,83 5.868,84 127.133,85 6.256,86 1.062,87 0.895,88 15.94,89 4.996,90 159.296,91 4.432,92 0.736,93 0.729,94 15.619,95 4.374,96 116.414,97 3.757,98 0.76,99 0.695,100 12.094,101 3.021,102 124.102,103 2.343,104 46,105 32,106 0.403,107 0.74,108 0.83,109 0.859,110 0.859,111 0.859,112 3.058,113 0.994,114 -2.4,115 -2.43,116 -2.38,119 35.5,121 1,125 1,132 1,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 4,171 3,172 2,176 4,178 4,180 1,182 2,186 4,189 4,191 1,193 5,197 1,199 2,201 1,203 5,206 1,207 1,208 1,210 1,211 1,213 1,215 2,220 1,224 1,226 2,228 1,229 3,231 1,235 1,251 2,252 2,259 454,260 12.535,261 12.535,262 12.535,263 12.535,264 12.535,265 11.105,266 9.065,267 7.125,268 13.118,269 10.312,270 10.312,271 10.312,272 10.312,273 10.312,274 7.992,275 6.239,276 3.282,277 11.372,278 2.826,279 1.041,280 0.565,281 0.411,282 0.411,283 0.411,284 3.703,288 1,289 1,290 320,291 4.123,294 46.619,295 51.647,298 82.134,302 1.26,303 45.965,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 48.5,315 159,316 4.999,317 5.697,318 8.104,319 4.515,320 3.69,321 4.702,322 6.006,323 14.439,324 3.104,325 4.546,326 3.799,327 6.547,328 4.071,329 3.088,330 4.496,331 1.914,332 10.36,333 3.015,334 3.692,335 3.155,336 5.548,337 3.305,338 2.389,339 3.092,341 7.321,342 2.199,343 3.367,344 2.489,345 5.143,346 2.968,347 2.028,348 2.671,350 6.08,351 1.894,352 3.276,353 2.119,354 4.97,355 2.775,356 1.869,357 2.368,359 5.712,360 1.599,361 2.736,362 1.399,363 4.152,364 2.299,365 1.319,366 1.837,368 3.485,369 1.292,370 2.323,371 1.31,372 3.4,373 2.011,374 1.06,375 1.281,377 2.094,378 1.005,379 1.978,380 1.122,381 3.284,382 1.601,383 0.647,384 0.848,386 1.328,387 0.615,388 1.243,389 0.732,390 3.024,391 0.871,392 -0.061,393 -0.075,395 -0.15,396 -0.056,397 1,398 0.51,399 2.767,400 0.472,401 -0.485,402 -0.558,404 -0.961,405 -0.461,406 0.731,407 0.51,408 2.326,409 0.14,410 -0.854,411 -1,413 -2.437,414 -0.7,415 0.626,416 0.086,417 2,419 -1,420 -1,422 -2.682,423 -0.7,424 0.35,425 -0.137,426 2,427 -0.022,428 -1,429 -1.221,431 -3,432 -0.847,434 -0.439,435 2,436 -0.3,437 -1,438 -1.321,440 -3,441 -0.978,443 -0.886,444 2,445 -0.3,446 -1,447 -1.765,449 -3,450 -1,451 8.99,452 0.45,453 0.843,454 0.042,455 24.5,456 1.225,457 11.5,458 0.575,459 13,460 0.65,461 14.151,462 0.708,463 24.01,464 0.775,465 20.249,466 1.012,467 4.929,468 0.246,469 4.314,470 0.216,471 0.214,472 0.148,473 0.222,478 3,479 0.613,480 0.997,481 0.735,482 1.314,483 0.704,484 0.909,485 0.389,486 0.796,487 0.541,488 1.101,489 0.466,490 0.949,491 0.301,492 0.649,493 0.554,494 0.687,495 0.243,496 0.894,497 0.496,498 0.763,499 0.896,500 1.138,501 0.391,502 1.21,503 0.736,504 0.904,505 0.811,506 1.044,507 0.714,508 1.117,509 1.34,510 1.113,511 1.029,512 0.861,513 1.217,514 0.928,515 1.187,516 1.286,517 1.368,518 1.358,519 1.181,520 1.006,521 1.545,522 1.291,523 1.339,524 1.202,525 1.744,526 1.056,527 6.5,529 3.556,530 1.479,531 1.213,532 0.674,533 0.596,534 0.496,535 0.217,536 0.06,537 3190,538 15318,539 1.888,540 35.5,542 5,543 1,545 3,547 2,550 1.62,551 1.69,552 2.981,553 1.3,555 1,557 1,559 65.963,560 2.128,561 3.913,562 4.389,563 4.543,564 4.543,565 4.543,566 2.484,567 3.684,568 4.295,569 3.128,570 594.233,571 7.347,572 6002.15,574 1,576 1,577 153.58,578 1.846,579 4.178,580 0.31,582 0.111,583 0.048,584 0.051,585 0.029,586 0.031,587 0.028,588 0.017,589 0.01,590 0.634,591 0.33,592 1,593 1.618,594 87.69,595 -0.032,596 -0.031,597 0.176,598 -0.076,599 -0.148,600 0.075,601 0.483,602 0.219,603 0.303,604 -0.067,605 0.369,606 -0.02,607 0.57,608 0.18,609 0.234,610 0.167,611 0.557,612 0.071,613 0.041,614 -0.085,615 -0.024,616 -0.154,617 0.085,618 -0.126,619 -0.014,620 -0.199,621 0.082,622 -0.153,623 -0.002,624 -0.078,625 -0.32,626 -0.169,627 -0.027,628 0.05,629 -0.238,630 0.055,631 -0.162,632 -0.299,633 -0.144,634 -0.231,635 -0.139,636 -0.008,637 -0.295,638 -0.281,639 -0.202,640 -0.229,641 -0.372,642 -0.172,643 6.708,644 4.237,645 0.45,646 13.3,647 1.068,648 1.163,649 1.17,650 1.369,651 0.658,652 3.091,653 3.497,654 3.689,655 3.807,656 3.989,657 4.043,658 4.205,659 4.304,660 4.111,661 3.912,662 4.905,663 0.667,664 308.31,665 3.091,666 4.673,667 5.517,668 6.422,669 7.299,670 8.198,671 9.086,672 9.984,673 10.876,674 11.772,675 6.5,676 1,683 1,687 2,688 4,690 1,693 2,695 10,714 31,716 12,717 1,718 21,720 32,721 11,722 8,723 3,724 3,730 2,731 3,736 1,743 1,745 8,746 3,750 2,753 1,755 2,760 1,761 1,762 3,764 11,765 7,766 3,767 9,768 1,773 2,777 0.5,778 3,788 1,792 1,793 1,796 1,812 1,819 1,821 1,825 3,827 20,828 1,831 1,833 2,835 1,839 1,846 3,847 9.7,850 2,852 1,854 11.833,855 5.262,856 4.243,857 1.614,858 2.205,859 1.347,860 0.995,861 3.891,862 8.566,863 3.367,864 4.065,865 4.571,866 5.095,867 5.594,868 5.948,869 6.403,870 6.779,871 6.643,872 6.699,873 1,874 31,875 11.062,877 4.9135,878 8.892,879 12.982,881 10.728,883 3.392,884 67.833,888 94.169,889 69.137,890 49.683,892 52.858,893 44.88,894 7.75,895 61.387,896 147.027,897 94.563,899 37.537,900 45.226,901 44.313,902 81.213,903 13.915,904 82.398,905 6.125,906 94.169,907 111.07,908 97.739,909 7.75,911 70.627,912 76.401,913 44.88,914 6.125,915 54.323,916 50.622,917 7.75,919 139.049,920 102.541,921 69.137,923 7.75,924 100.293,925 17.786,926 37.476,927 16.786,928 130.636,929 94.169,930 147.421,931 69.137,933 0.608,934 0.347,935 0.15,936 0.082,937 16,938 8,939 0.125,940 4,941 1,942 1.222,943 3.03,944 147.532,945 0.222,946 9,947 79.684,950 1,951 15.008,952 5.186,953 3.045,954 1.232,955 130.636,956 5.491,958 2.91,961 0.38,963 49.683,964 310.727,965 28,968 -5.663,970 21.863,975 33.102,976 36.055,977 0.43,978 0.79,979 0.886,980 0.917,981 0.917,982 0.917,983 4.649,984 0.647,985 5.631,986 2.094,987 4.174,988 4.749,989 4.151,990 6.581,991 4.002,992 5.958,993 -0.061,994 7.313,995 1.328,996 4.29,997 5.103,998 4.961,999 8.138,1000 3.913,1001 7.37,1002 -0.485,1003 9.129,1004 -0.15,1005 6.023,1006 7.2,1007 7.403,1008 11.165,1009 5.633,1010 8.827,1011 -0.854,1012 11.028,1013 -0.961,1014 6.889,1015 8.293,1016 8.78,1017 13.477,1018 6.273,1019 10.319,1020 -1,1021 12.982,1022 -2.437,1023 8.276,1024 10.012,1025 10.87,1026 16.217,1027 7.605,1028 11.836,1029 -1,1030 14.972,1031 -2.682,1032 9.412,1033 11.376,1034 12.462,1035 18.768,1036 8.533,1037 13.371,1038 -1,1039 16.988,1040 -3,1041 10.714,1042 12.974,1043 14.399,1044 21.447,1045 9.731,1046 3.69,1047 -1,1048 19.024,1049 -3,1050 11.947,1051 14.442,1052 16.093,1053 24.074,1054 10.774,1055 3.088,1056 14.439,1057 21.073,1058 -3,1059 13.232,1060 15.998,1061 17.956,1062 26.74,1063 11.923,1064 2.389,1065 10.36,1066 23.133,1067 4.702,1068 14.501,1069 17.504,1070 19.7,1071 29.393,1072 13.012,1073 2.028,1074 7.321,1075 25.2,1076 4.496,1077 15.787,1078 19.045,1079 21.527,1080 32.059,1081 14.143,1082 1.869,1083 6.08,1084 27.273,1085 3.092,1086 17.071,1087 20.567,1088 23.296,1089 34.722,1090 15.251,1091 1.319,1092 5.712,1093 29.35,1094 2.671,1095 18.362,1096 22.103,1097 25.105,1098 37.389,1099 16.375,1100 1.06,1101 3.485,1102 31.431,1103 2.368,1104 19.654,1105 23.632,1106 26.886,1107 40.055,1108 17.491,1109 3369,1110 7642,1111 12.712,1112 20.404,1113 32.503,1114 33.083,1115 33.535,1116 32.384,1117 32.178,1118 42.59,1119 15.84,1120 101.64,1121 29.446,1122 5.842,1123 7.697,1124 7.871,1125 5.586,1126 5.69,1127 7.702,1128 10.217,1129 22.67,1130 5.104,1131 13.014,1132 1.548,1133 1.575,1134 1.597,1135 1.542,1136 1.532,1137 2.028,1138 0.754,1139 4.84,1140 1.402,1141 4.142,1142 4.166,1143 4.739,1144 4.058,1145 8.518,1146 4.057,1147 3.939,1148 3.87,1149 4.074,1150 3.856,1151 7.999,1152 3.737,1153 3.54,1154 3.613,1155 3.414,1156 3.4,1157 7.999,1158 3.389,1159 3.311,1160 3.381,1161 3.195,1162 3.094,1163 7.707,1164 3.103,1165 2.96,1166 3.024,1167 3.063,1168 2.789,1169 6.999,1170 2.786,1171 2.883,1172 2.9,1173 2.805,1174 2.368,1175 5.032,1176 2.474,1177 2.64,1178 2.77,1179 2.369,1180 2.322,1181 4.947,1182 2.323,1183 2.389,1184 2.44,1185 2.278,1186 2.201,1187 4.455,1188 2.204,1189 0.238,1190 0.271,1191 0.386,1192 0.215,1193 0.176,1194 4.999,1195 0.224,1196 5.697,1197 0.286,1198 8.104,1199 0.688,1200 4.515,1201 0.148,1202 3.69,1203 4.702,1204 6.006,1205 14.439,1206 3.104,1207 1.941,1208 1.93,1209 2.015,1210 2.03,1211 1.225,1212 2.033,1213 1.653,1214 1.677,1215 1.85,1216 1.846,1217 1.017,1218 1.857,1219 1.583,1220 1.583,1221 1.523,1222 1.793,1223 0.637,1224 1.799,1225 1.277,1226 1.19,1227 1.203,1228 1.561,1229 0.553,1230 1.557,1231 0.953,1232 0.902,1233 1.095,1234 1.199,1235 0.236,1236 1.193,1237 0.748,1238 0.682,1239 1.05,1240 1.01,1241 0.113,1242 1.007,1243 0.517,1244 0.407,1245 0.889,1246 0.95,1248 0.903,1249 0.377,1250 0.347,1251 0.685,1252 0.794,1254 0.776,1255 3.761,1257 5.142,1258 2.398,1259 6.706,1260 4.727,1261 8.351,1262 6.823,1263 10.037,1267 36.712,1269 5.418,1271 0.869,1273 4.079,1277 -5.458,1280 20.685,1281 65.963,1282 121.315,1283 136.07,1284 140.825,1285 140.825,1286 140.825,1287 48.584,1288 6.361,1289 85.18,1290 93.56,1291 11,1292 12.297,1293 3.7,1294 3,1295 36.369,1296 59,1297 61,1298 0.318,1299 130.093,1300 226.87,1301 309.186,1302 3803,1303 9.7,1304 14.966,1305 0.748,1306 0.544,1307 12.716,1308 10.884,1309 9.243,1310 0.44,1311 0.331,1312 5.514,1313 7.909,1314 5.37,1315 4.406,1316 8.92,1317 6.961,1318 9.567,1319 0.299,1320 0.174,1321 9.376,1322 5.581,1323 7.159,1324 0.184,1325 0.093,1326 5.681,1327 3.621,1328 4.88,1329 0.111,1330 0.05,1331 5.243,1332 2.197,1333 3.871,1334 0.073,1335 0.027,1336 3.886,1337 1.44,1338 0.483,1339 68.297,1340 0.28,1341 19.586,1342 0.913,1343 106,1344 576.045,1345 180.218,1346 485.695,1347 617.2,1348 440,1349 124,1350 396.418,1351 194.387,1352 417.533,1353 635.35,1354 387,1355 7.721} {0 CHEMBL143723,1 1.315,2 10.792,3 4.783,4 22.877,5 101.014,6 6.45,7 0.615,8 3.972,9 4.105,10 3.424,11 3.52,12 4.941,13 3.466,14 4.518,15 4.718,16 3.716,17 3.888,18 5.4,19 3.806,20 4.736,21 4.971,22 3.723,23 4.001,24 5.542,25 3.882,26 4.8,27 5.045,28 3.596,29 3.996,30 5.565,31 3.835,32 4.846,33 5.149,34 3.531,35 3.918,36 5.534,37 3.739,38 4.641,39 4.904,40 3.539,41 3.859,42 5.4,43 3.722,44 4.584,45 4.811,46 3.514,47 3.878,48 5.421,49 3.735,50 4.641,51 4.919,52 3.371,53 3.808,54 5.374,55 3.633,56 0.058,57 0.689,58 11.793,59 4.853,60 8.691,61 6.839,62 0.167,63 1.112,64 20.943,65 7.751,66 18.591,67 11.168,68 0.209,69 1.311,70 26.071,71 9.759,72 22.618,73 14.069,74 0.2,75 1.347,76 27.695,77 10.802,78 24.19,79 15.41,80 0.295,81 1.333,82 29.17,83 11.095,84 27.895,85 16.082,86 0.194,87 1.144,88 23.654,89 9.1,90 21.302,91 13.061,92 0.215,93 1.155,94 22.249,95 8.537,96 21.731,97 12.426,98 0.161,99 1.15,100 23.47,101 9.016,102 20.485,103 13.244,104 12,105 34,106 0.223,107 0.531,108 0.719,109 0.806,110 0.815,111 0.815,112 3.228,113 1.014,114 -4.77,115 -4.68,116 -4.39,119 42,120 2,121 1,125 4,140 8,141 3,142 1,149 1,150 1,169 10,172 6,176 3,178 10,182 5,186 3,189 7,193 4,199 7,203 3,206 2,211 9,215 1,222 11,225 1,226 1,231 3,233 11,242 2,244 8,249 3,254 2,256 5,259 882,260 16.74,261 16.74,262 16.74,263 16.74,264 16.74,265 14.859,266 17.448,267 10.082,268 17.101,269 12.719,270 12.719,271 12.719,272 12.719,273 12.719,274 9.909,275 19.144,276 4.654,277 13.216,278 4.329,279 2.506,280 1.395,281 0.885,282 0.83,283 0.83,284 3.914,288 1,289 1,290 547,291 3.391,294 56.681,295 145.278,298 100.763,302 1.875,303 9.9,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 50,315 259,316 4.551,317 3.198,318 6.547,319 4.078,320 3.094,321 4.504,322 1.151,323 10.363,324 3.044,325 3.911,326 2.928,327 5.41,328 3.531,329 2.558,330 3.45,331 0.8,332 7.149,333 2.5,334 3.694,335 2.771,336 5.305,337 3.381,338 2.45,339 3.119,341 6.76,342 2.287,343 3.463,344 2.541,345 5.222,346 3.245,347 2.296,348 2.688,350 6.578,351 2.158,352 3.291,353 2.103,354 5.067,355 2.894,356 1.924,357 2.405,359 5.837,360 1.858,361 2.921,362 1.641,363 4.151,364 2.488,365 1.499,366 2.091,368 3.504,369 1.48,370 2.727,371 1.331,372 3.639,373 2.256,374 1.278,375 1.828,377 3.137,378 1.248,379 2.5,380 1.113,381 3.343,382 2,383 1,384 1.5,386 2.136,387 1,388 2.264,389 1,390 3.247,391 1.881,392 0.93,393 1.188,395 2.082,396 0.88,397 1.868,398 0.904,399 3.147,400 1.609,401 0.675,402 0.782,404 1.529,405 0.624,406 1.692,407 0.744,408 3.04,409 1.591,410 0.618,411 0.618,413 1.023,414 0.6,415 1.618,416 0.588,417 2.618,418 1.4,419 0.456,420 0.555,422 0.791,423 0.428,424 1.013,425 0.039,426 2.434,427 0.791,428 -0.181,429 -0.198,431 -0.284,432 -0.176,433 0.795,434 -0.209,435 2.294,436 0.539,437 -0.426,438 -0.513,440 -0.969,441 -0.408,442 0.647,443 -0.561,444 2.073,445 0.199,446 -0.767,447 -0.965,449 -1.69,450 -0.738,451 11.633,452 0.485,453 0.376,454 0.016,455 29.25,456 1.219,457 14.5,458 0.604,459 14.75,460 0.615,461 19.812,462 0.825,463 26.167,464 0.523,465 18.867,466 0.786,467 5.807,468 0.242,469 5.989,470 0.25,471 0.086,473 0.249,479 0.966,480 1.324,481 0.942,482 1.147,483 0.983,484 1.055,485 1.432,486 1.082,487 1.025,488 0.979,489 1.029,490 0.963,491 1.31,492 1.009,493 1.047,494 0.999,495 0.969,496 0.995,497 1.187,498 1.179,499 1.145,500 1.2,501 1.162,502 1.178,503 0.805,504 0.784,505 0.78,506 0.817,507 0.77,508 0.803,509 1.204,510 0.88,511 0.885,512 0.828,513 1.079,514 0.836,515 1.002,516 1.149,517 1.211,518 1.154,519 1.175,520 1.188,521 0.779,522 0.992,523 0.992,524 1.01,525 0.911,526 1.01,527 4,528 0.058,529 2.222,530 0.917,531 0.884,532 0.518,533 0.309,534 0.374,535 0.206,536 0.075,537 6711,538 13198,539 2.089,540 52,542 16,543 1,545 1,547 8,550 1.667,551 2,552 3.418,553 -0.424,559 65.743,560 1.315,561 3.138,562 4.248,563 4.759,564 4.814,565 4.814,566 2.907,567 4.002,568 4.552,569 3.582,570 988.675,571 7.848,572 12031.1,574 1,577 282.193,578 1.189,579 4.536,580 0.154,581 0.005,582 0.065,583 0.028,584 0.033,585 0.02,586 0.011,587 0.014,588 0.009,589 0.004,590 0.344,591 0.5,592 1,593 1.362,594 115.855,595 0.033,596 -0.134,597 0.063,598 -0.051,599 -0.011,600 -0.001,601 -0.102,602 0.032,604 0.029,605 0.029,606 0.026,607 -0.09,608 0.034,609 -0.041,610 -0.012,611 0.046,612 -0.016,613 -0.063,614 -0.194,615 -0.159,616 -0.205,617 -0.1,618 -0.192,619 0.208,620 0.127,621 0.198,622 0.133,623 0.212,624 0.159,625 -0.063,626 0.089,627 0.107,628 0.158,629 -0.02,630 0.145,631 -0.035,632 -0.08,633 -0.224,634 -0.152,635 -0.173,636 -0.197,637 -0.017,638 -0.01,639 -0.027,640 -0.039,641 -0.024,642 -0.032,643 0.897,644 2.468,645 0.625,646 24.458,647 0.983,648 1.124,649 3.535,650 12.497,651 0.652,652 3.296,653 3.555,654 3.807,655 4.007,656 4.19,657 4.234,658 4.357,659 4.5,660 4.5,661 4.5,662 6.455,663 0.602,664 322.49,665 3.296,666 4.796,667 5.624,668 6.469,669 7.317,670 8.172,671 9.03,672 9.892,673 10.757,674 11.625,675 4,678 1,683 1,687 2,688 9,690 1,693 3,695 16,712 1,714 50,716 16,717 2,718 26,720 52,721 21,722 14,723 4,724 8,730 3,731 4,736 2,743 1,745 14,746 7,764 26,765 2,766 1,767 3,773 2,777 0.667,778 1,788 1,792 1,793 2,796 1,815 1,819 2,823 2,827 24,833 5,835 1,838 1,847 2,852 1,854 12,855 9.367,856 5.556,857 3.335,858 3.005,859 1.426,860 0.98,861 5.811,862 10.053,863 3.555,864 4.123,865 4.713,866 5.287,867 5.786,868 6.01,869 6.389,870 6.79,871 6.861,872 7.131,873 1,874 33,875 8.872,877 3.581,878 7.41,879 17.608,881 14.14,883 1.91,884 45.833,885 0.001,886 1,887 1,888 294.278,889 132.284,890 19.91,892 11,895 132.284,896 305.277,897 19.91,898 17.65,899 13.444,900 84.857,902 45.097,903 13.915,904 282.506,906 294.278,907 152.193,908 11,911 200.109,912 105.169,915 51.004,916 101.189,919 294.278,920 30.91,921 132.284,924 294.278,925 29.776,926 105.632,927 16.786,928 11,929 294.278,930 30.91,931 132.284,933 0.56,934 0.331,935 0.169,936 0.086,937 15,938 6,939 0.154,940 8,941 1,942 1.133,943 3.752,944 183.474,945 0.133,946 15,947 102.039,951 16.906,952 8.248,953 4.338,954 2.448,955 14.124,956 18.721,958 3.375,961 3.477,963 16.786,964 457.471,965 34,975 49.134,976 56.188,977 0.233,978 0.556,979 0.753,980 0.843,981 0.853,982 0.853,983 4.745,984 1,985 5.565,986 3.137,987 4.234,988 4.808,989 1.528,990 6.308,991 4.164,992 5.916,993 0.93,994 7.077,995 2.136,996 3.611,997 4.477,998 0.325,999 7.096,1000 3.514,1001 7.197,1002 0.675,1003 8.69,1004 2.082,1005 5.759,1006 7.01,1007 1.603,1008 10.157,1009 5.63,1010 8.519,1011 0.618,1012 10.363,1013 1.529,1014 6.019,1015 7.614,1016 0.268,1017 11.832,1018 5.869,1019 9.878,1020 0.456,1021 12.078,1022 1.023,1023 7.559,1024 9.558,1025 1.778,1026 14.398,1027 7.388,1028 11.264,1029 -0.181,1030 13.822,1031 0.791,1032 8.241,1033 10.621,1034 0.188,1035 16.456,1036 8.059,1037 12.672,1038 -0.426,1039 15.589,1040 -0.284,1041 9.526,1042 12.314,1043 1.991,1044 18.867,1045 9.329,1046 3.094,1047 -0.767,1048 17.374,1049 -0.969,1050 10.426,1051 13.608,1052 0.125,1053 21.09,1054 10.219,1055 2.558,1056 10.363,1057 19.174,1058 -1.69,1059 11.603,1060 15.191,1061 2.225,1062 23.451,1063 11.385,1064 2.45,1065 7.149,1066 20.987,1067 4.504,1068 12.613,1069 16.597,1070 0.082,1071 25.743,1072 12.386,1073 2.296,1074 6.76,1075 22.81,1076 3.45,1077 13.749,1078 18.132,1079 2.473,1080 28.088,1081 13.511,1082 1.924,1083 6.578,1084 24.643,1085 3.119,1086 14.815,1087 19.591,1088 0.054,1089 30.407,1090 14.567,1091 1.499,1092 5.837,1093 26.483,1094 2.688,1095 15.937,1096 21.108,1097 2.73,1098 32.748,1099 15.679,1100 1.278,1101 3.504,1102 28.33,1103 2.405,1104 17.032,1105 22.591,1106 0.035,1107 35.078,1108 16.762,1109 6567,1110 9344,1111 17.682,1112 32.603,1113 37.616,1114 37.774,1115 38.703,1116 37.537,1117 37.555,1118 49.456,1119 3.902,1120 101.778,1121 36.214,1122 5.425,1123 5.198,1124 6.349,1125 5.141,1126 5.094,1127 7.504,1128 2.302,1129 17.029,1130 5.044,1131 9.24,1132 1.447,1133 1.453,1134 1.489,1135 1.444,1136 1.444,1137 1.902,1138 0.15,1139 3.915,1140 1.393,1141 4.133,1142 4.165,1143 4.091,1144 4.047,1145 4.999,1146 4.054,1147 3.902,1148 3.932,1149 3.828,1150 3.841,1151 4.77,1152 3.834,1153 3.732,1154 3.811,1155 3.593,1156 3.543,1157 4.532,1158 3.544,1159 3.481,1160 3.523,1161 3.388,1162 3.338,1163 4.305,1164 3.339,1165 3.306,1166 3.407,1167 3.085,1168 3.123,1169 4.007,1170 3.089,1171 3.255,1172 3.33,1173 3.04,1174 3.064,1175 3.892,1176 3.063,1177 3.109,1178 3.18,1179 2.944,1180 2.947,1181 3.809,1182 2.935,1183 2.887,1184 2.955,1185 2.735,1186 2.761,1187 3.674,1188 2.748,1189 0.175,1190 0.123,1191 0.252,1192 0.157,1193 0.119,1194 4.551,1195 0.173,1196 3.198,1197 0.044,1198 6.547,1199 0.399,1200 4.078,1201 0.117,1202 3.094,1203 4.504,1204 1.151,1205 10.363,1206 3.044,1207 1.946,1208 1.927,1209 2.048,1210 2.04,1211 1.278,1212 2.041,1213 1.891,1214 1.863,1215 2.011,1216 1.972,1217 1.149,1218 1.988,1219 1.726,1220 1.657,1221 1.946,1222 1.936,1223 1.113,1224 1.944,1225 1.543,1226 1.477,1227 1.768,1228 1.74,1229 0.955,1230 1.751,1231 1.351,1232 1.256,1233 1.725,1234 1.584,1235 0.869,1236 1.638,1237 1.239,1238 1.187,1239 1.485,1240 1.493,1241 0.611,1242 1.496,1243 1.133,1244 1.056,1245 1.423,1246 1.359,1247 0.553,1248 1.386,1249 0.907,1250 0.852,1251 1.181,1252 1.09,1253 0.263,1254 1.116,1255 3.97,1257 5.242,1258 2.398,1259 6.711,1260 4.727,1261 8.265,1262 6.823,1263 9.866,1265 4.433,1271 4.957,1273 5.968,1276 2.453,1280 30.079,1281 65.743,1282 156.909,1283 212.418,1284 237.928,1285 240.683,1286 240.683,1287 30.058,1288 7.048,1289 28.26,1290 28.26,1291 17,1292 12.171,1293 4.087,1294 3.17,1295 39.356,1296 91,1297 88,1298 0.209,1299 187.122,1300 314.39,1301 448.339,1302 10773,1304 16.778,1305 0.699,1306 0.608,1307 16.778,1308 14.587,1309 11.796,1310 0.454,1311 0.338,1312 8.706,1313 11.477,1314 8.433,1315 7.058,1316 11.796,1317 8.789,1318 9.782,1319 0.288,1320 0.179,1321 9.782,1322 6.072,1323 8.479,1324 0.193,1325 0.104,1326 8.479,1327 4.579,1328 6.652,1329 0.123,1330 0.056,1331 6.652,1332 3.013,1333 5.098,1334 0.078,1335 0.028,1336 5.098,1337 1.84,1338 0.331,1339 72.753,1340 0.238,1341 23.813,1342 0.561,1343 120,1344 277.714,1345 127.345,1346 273.157,1347 385.09,1348 260,1349 138,1350 288.539,1351 145.818,1352 295.129,1353 429.23,1354 279,1355 6.959} {0 CHEMBL143745,1 1.285,2 11.577,3 5.83,4 33.994,5 110.062,6 6.26,7 0.571,8 4.075,9 4.211,10 3.498,11 3.619,12 5.013,13 3.557,14 4.635,15 4.84,16 3.779,17 3.992,18 5.478,19 3.896,20 4.872,21 5.12,22 3.794,23 4.101,24 5.639,25 3.967,26 4.934,27 5.2,28 3.708,29 4.095,30 5.648,31 3.937,32 4.936,33 5.215,34 3.675,35 4.082,36 5.629,37 3.907,38 4.919,39 5.201,40 3.665,41 4.085,42 5.614,43 3.914,44 4.873,45 5.145,46 3.649,47 4.075,48 5.607,49 3.905,50 4.815,51 5.092,52 3.587,53 4.001,54 5.543,55 3.83,56 0.068,57 0.767,58 13.487,59 5.543,60 9.567,61 7.884,62 0.181,63 1.241,64 23.793,65 8.916,66 19.364,67 12.956,68 0.223,69 1.48,70 29.901,71 11.234,72 25.595,73 16.381,74 0.26,75 1.526,76 31.8,77 11.735,78 25.779,79 17.165,80 0.294,81 1.495,82 31.542,83 12.386,84 26.195,85 17.842,86 0.228,87 1.474,88 30.91,89 12.149,90 25.543,91 17.575,92 0.26,93 1.461,94 29.609,95 11.466,96 26.039,97 16.845,98 0.173,99 1.371,100 27.754,101 10.872,102 23.136,103 15.976,104 16,105 36,106 0.213,107 0.518,108 0.725,109 0.8,110 0.809,111 0.809,112 3.303,113 1.049,114 -5.2,115 -5.09,116 -4.76,119 41.1,120 2,121 3,125 4,140 8,141 3,142 1,149 1,150 1,169 12,172 6,176 3,178 10,182 7,186 3,189 7,193 4,199 7,203 3,206 2,211 13,215 1,222 14,225 1,226 1,231 3,233 13,242 4,244 10,249 3,254 2,256 7,259 1140,260 18.154,261 18.154,262 18.154,263 18.154,264 18.154,265 16.273,266 17.448,267 11.293,268 18.444,269 13.795,270 13.795,271 13.795,272 13.795,273 13.795,274 10.985,275 19.144,276 5.243,277 14.274,278 4.522,279 2.674,280 1.425,281 0.969,282 0.92,283 0.92,284 3.991,289 1,290 631,291 3.674,294 63.245,295 161.98,298 112.882,302 2.038,303 10.57,306 1,307 0.83,308 0.83,309 1,310 0.5,311 1,312 1,313 0.88,314 54,315 301,316 4.551,317 3.199,318 6.547,319 4.078,320 3.094,321 4.504,322 1.151,323 10.363,324 3.044,325 3.911,326 2.93,327 5.412,328 3.532,329 2.559,330 3.45,331 0.8,332 7.155,333 2.5,334 3.695,335 2.797,336 5.344,337 3.418,338 2.486,339 3.119,341 6.957,342 2.317,343 3.495,344 2.542,345 5.231,346 3.255,347 2.302,348 2.69,350 6.635,351 2.178,352 3.304,353 2.107,354 5.073,355 2.901,356 1.93,357 2.448,359 5.863,360 1.866,361 2.921,362 1.641,363 4.153,364 2.488,365 1.499,366 2.091,368 3.513,369 1.48,370 2.729,371 1.34,372 3.639,373 2.269,374 1.288,375 1.83,377 3.138,378 1.262,379 2.5,380 1.298,381 3.369,382 2.237,383 1.247,384 1.5,386 2.181,387 1.233,388 2.283,389 1.146,390 3.247,391 2.013,392 1.044,393 1.247,395 2.136,396 1.009,397 2.247,398 1.018,399 3.247,400 2,401 1,402 1.224,404 2.117,405 1,406 2.009,407 1,408 3.196,409 1.757,410 0.808,411 0.957,413 1.694,414 0.762,415 1.806,416 0.782,417 3.072,418 1.511,419 0.587,420 0.693,422 1.268,423 0.537,424 1.457,425 0.396,426 2.559,427 1.273,428 0.304,429 0.348,431 0.598,432 0.294,433 0.953,434 -0.055,435 2.433,436 0.599,437 -0.357,438 -0.438,440 -0.632,441 -0.338,442 0.65,443 -0.287,444 2.135,445 0.521,446 -0.445,447 -0.445,449 -0.859,450 -0.428,451 12.633,452 0.486,453 0.376,454 0.014,455 30.25,456 1.163,457 14.5,458 0.558,459 15.75,460 0.606,461 23.525,462 0.905,463 28.767,464 0.514,465 19.595,466 0.754,467 5.763,468 0.222,469 7.033,470 0.271,471 0.079,473 0.23,479 0.971,480 1.338,481 0.981,482 1.176,483 0.974,484 1.092,485 1.409,486 1.12,487 1.059,488 1.031,489 1.024,490 1.015,491 1.225,492 1.081,493 1.016,494 1.031,495 0.93,496 1.008,497 1.351,498 1.007,499 1.069,500 1.006,501 1.079,502 1.011,503 0.847,504 0.941,505 0.928,506 0.985,507 0.796,508 0.969,509 1.029,510 0.908,511 0.902,512 0.886,513 0.997,514 0.89,515 0.824,516 0.969,517 1.007,518 0.973,519 1.006,520 0.996,521 0.7,522 1.045,523 0.943,524 1.018,525 0.833,526 0.998,527 4,528 0.083,529 2.222,530 0.917,531 0.964,532 0.573,533 0.309,534 0.374,535 0.268,536 0.095,537 8369,538 15640,539 2.082,540 53.6,541 6,542 16,543 1,545 1,547 6,550 1.69,551 2,552 3.517,553 -0.446,559 71.963,560 1.285,561 3.134,562 4.383,563 4.838,564 4.888,565 4.888,566 2.917,567 4.239,568 4.667,569 3.686,570 1197.79,571 8.084,572 15642.2,577 325.212,578 1.14,579 4.655,580 0.143,581 0.006,582 0.062,583 0.026,584 0.031,585 0.019,586 0.01,587 0.012,588 0.01,589 0.005,590 0.323,591 0.5,592 1,593 1.577,594 129.476,595 0.042,596 -0.124,597 0.061,598 -0.046,599 0.024,601 -0.087,602 0.001,603 -0.018,604 -0.002,605 0.037,606 -0.003,607 -0.031,608 -0.047,609 -0.005,610 -0.039,611 0.086,612 -0.021,613 -0.087,614 -0.002,615 -0.061,616 -0.039,617 -0.031,618 -0.044,619 0.166,620 0.018,621 0.051,622 -0.005,623 0.155,624 0.011,625 -0.033,626 0.045,627 0.075,628 0.098,629 -0.009,630 0.092,631 0.033,632 0.038,633 -0.029,634 0.012,635 -0.062,636 -0.01,637 0.029,638 -0.052,639 0.023,640 -0.031,641 0.048,642 -0.007,643 0.896,644 2.503,645 0.577,646 28.604,647 0.98,648 1.125,649 3.969,650 15.751,651 0.645,652 3.367,653 3.611,654 3.85,655 4.078,656 4.248,657 4.277,658 4.407,659 4.564,660 4.585,661 4.625,662 6.916,663 0.592,664 350.55,665 3.367,666 4.86,667 5.68,668 6.524,669 7.366,670 8.22,671 9.074,672 9.935,673 10.797,674 11.664,675 3.6,678 1,683 1,687 2,688 9,690 1,693 3,695 16,712 1,714 56,716 16,717 2,718 28,720 58,721 23,722 14,723 4,724 8,730 3,731 4,736 2,743 3,745 14,746 9,764 30,765 2,766 1,767 3,773 2,777 0.667,778 1,788 1,792 1,793 2,796 1,815 1,819 2,823 2,827 26,833 7,835 1,838 1,847 1.8,852 1,854 13,855 10.367,856 6.056,857 3.835,858 2.997,859 1.417,860 0.972,861 7.014,862 10.189,863 3.611,864 4.155,865 4.731,866 5.307,867 5.798,868 6.017,869 6.399,870 6.805,871 6.889,872 7.176,873 0.875,874 35,875 9.63,877 3.868,878 7.378,879 19.241,881 15.473,883 1.878,884 48.833,888 341.362,889 137.353,890 19.91,892 11,895 137.353,896 352.362,897 19.91,898 17.65,899 18.513,900 84.857,902 45.097,903 13.915,904 329.591,906 341.362,907 157.262,908 11,911 270.735,912 81.626,915 56.073,916 101.189,919 341.362,920 30.91,921 137.353,924 341.362,925 34.845,926 105.632,927 16.786,928 11,929 341.362,930 30.91,931 137.353,933 0.55,934 0.317,935 0.176,936 0.093,937 15,938 6,939 0.172,940 10,941 1,942 1.133,943 3.944,944 202.845,945 0.133,946 15,947 112.211,951 18.844,952 9.677,953 5.282,954 2.466,955 14.124,956 18.806,958 3.403,961 3.5,963 16.786,964 509.624,965 36,975 54.901,976 63.019,977 0.221,978 0.54,979 0.755,980 0.833,981 0.842,982 0.842,983 4.796,984 1.247,985 5.609,986 3.138,987 4.29,988 4.84,989 1.528,990 6.344,991 4.225,992 5.953,993 1.044,994 7.111,995 2.181,996 3.611,997 4.477,998 0.325,999 7.096,1000 3.514,1001 7.225,1002 1,1003 8.714,1004 2.136,1005 5.796,1006 7.021,1007 1.603,1008 10.182,1009 5.669,1010 8.539,1011 0.808,1012 10.382,1013 2.117,1014 6.019,1015 7.614,1016 0.268,1017 11.844,1018 5.869,1019 9.893,1020 0.587,1021 12.093,1022 1.694,1023 7.585,1024 9.561,1025 1.778,1026 14.415,1027 7.414,1028 11.275,1029 0.304,1030 13.835,1031 1.268,1032 8.249,1033 10.622,1034 0.188,1035 16.467,1036 8.065,1037 12.681,1038 -0.357,1039 15.601,1040 0.598,1041 9.547,1042 12.315,1043 1.991,1044 18.877,1045 9.346,1046 3.094,1047 -0.445,1048 17.385,1049 -0.632,1050 10.436,1051 13.609,1052 0.125,1053 21.097,1054 10.227,1055 2.559,1056 10.363,1057 19.184,1058 -0.859,1059 11.619,1060 15.191,1061 2.225,1062 23.457,1063 11.396,1064 2.486,1065 7.155,1066 20.996,1067 4.504,1068 12.624,1069 16.597,1070 0.082,1071 25.747,1072 12.393,1073 2.302,1074 6.957,1075 22.818,1076 3.45,1077 13.761,1078 18.133,1079 2.473,1080 28.091,1081 13.519,1082 1.93,1083 6.635,1084 24.65,1085 3.119,1086 14.824,1087 19.591,1088 0.054,1089 30.41,1090 14.572,1091 1.499,1092 5.863,1093 26.49,1094 2.69,1095 15.946,1096 21.108,1097 2.73,1098 32.749,1099 15.683,1100 1.288,1101 3.513,1102 28.336,1103 2.448,1104 17.039,1105 22.591,1106 0.035,1107 35.079,1108 16.765,1109 8213,1110 11404,1111 19.068,1112 36.126,1113 40.386,1114 40.416,1115 41.348,1116 40.298,1117 40.296,1118 52.199,1119 3.902,1120 107.236,1121 38.964,1122 5.447,1123 5.199,1124 6.349,1125 5.141,1126 5.094,1127 7.504,1128 2.302,1129 17.029,1130 5.044,1131 9.848,1132 1.442,1133 1.443,1134 1.477,1135 1.439,1136 1.439,1137 1.864,1138 0.139,1139 3.83,1140 1.392,1141 4.134,1142 4.166,1143 4.092,1144 4.048,1145 4.999,1146 4.055,1147 3.902,1148 3.932,1149 3.828,1150 3.841,1151 4.77,1152 3.834,1153 3.773,1154 3.849,1155 3.634,1156 3.598,1157 4.532,1158 3.595,1159 3.501,1160 3.586,1161 3.401,1162 3.372,1163 4.304,1164 3.368,1165 3.5,1166 3.545,1167 3.279,1168 3.348,1169 4.04,1170 3.32,1171 3.312,1172 3.388,1173 3.14,1174 3.106,1175 4.014,1176 3.108,1177 3.131,1178 3.197,1179 2.973,1180 2.976,1181 3.868,1182 2.966,1183 2.982,1184 3.082,1185 2.809,1186 2.8,1187 3.69,1188 2.793,1189 0.163,1190 0.114,1191 0.234,1192 0.146,1193 0.11,1194 4.551,1195 0.161,1196 3.199,1197 0.041,1198 6.547,1199 0.37,1200 4.078,1201 0.109,1202 3.094,1203 4.504,1204 1.151,1205 10.363,1206 3.044,1207 1.946,1208 1.927,1209 2.049,1210 2.041,1211 1.315,1212 2.043,1213 1.891,1214 1.863,1215 2.019,1216 1.978,1217 1.188,1218 1.995,1219 1.759,1220 1.69,1221 1.975,1222 1.953,1223 1.129,1224 1.963,1225 1.584,1226 1.525,1227 1.861,1228 1.766,1229 1.09,1230 1.785,1231 1.539,1232 1.459,1233 1.802,1234 1.738,1235 1.003,1236 1.781,1237 1.268,1238 1.202,1239 1.524,1240 1.53,1241 0.634,1242 1.536,1243 1.179,1244 1.113,1245 1.45,1246 1.407,1247 0.611,1248 1.424,1249 0.992,1250 0.912,1251 1.343,1252 1.244,1253 0.478,1254 1.286,1255 4.043,1257 5.303,1258 2.398,1259 6.758,1260 4.727,1261 8.304,1262 6.823,1263 9.901,1265 4.509,1271 7.582,1273 6.003,1276 2.564,1280 33.133,1281 71.963,1282 175.489,1283 245.437,1284 270.947,1285 273.702,1286 273.702,1287 35.699,1288 7.192,1289 28.26,1290 28.26,1291 17,1292 12.211,1293 4.087,1294 3.17,1295 44.404,1296 105,1297 104,1298 0.201,1299 206.307,1300 348.99,1301 495.15,1302 13105,1304 18.192,1305 0.7,1306 0.615,1307 18.192,1308 16.001,1309 12.796,1310 0.457,1311 0.35,1312 9.706,1313 12.493,1314 9.406,1315 7.922,1316 12.796,1317 9.789,1318 10.543,1319 0.293,1320 0.191,1321 10.543,1322 6.887,1323 8.718,1324 0.19,1325 0.104,1326 8.718,1327 4.764,1328 7.204,1329 0.124,1330 0.059,1331 7.204,1332 3.441,1333 5.606,1334 0.081,1335 0.032,1336 5.606,1337 2.241,1338 0.321,1339 78.753,1340 0.229,1341 25.569,1342 0.537,1343 128,1344 285.714,1345 135.345,1346 281.733,1347 396.73,1348 268,1349 146,1350 296.539,1351 154.151,1352 304.041,1353 442.05,1354 287,1355 6.328} {0 CHEMBL143767,1 2.014,2 8.773,3 4.213,4 17.749,5 76.658,6 9.091,7 0.435,8 3.741,9 3.829,10 3.625,11 3.219,12 4.895,13 3.221,14 4.34,15 4.486,16 4.073,17 3.553,18 6.152,19 3.589,20 4.483,21 4.628,22 3.967,23 3.668,24 6.402,25 3.639,26 4.501,27 4.742,28 3.65,29 3.671,30 5.547,31 3.56,32 4.458,33 4.685,34 3.719,35 3.537,36 5.743,37 3.489,38 4.346,39 4.528,40 3.712,41 3.435,42 5.75,43 3.429,44 4.306,45 4.508,46 3.566,47 3.334,48 5.693,49 3.307,50 4.202,51 4.418,52 3.419,53 3.05,54 5.692,55 3.052,56 0.24,57 0.74,58 8.162,59 3.955,60 46.32,61 3.782,62 1.169,63 1.497,64 18.833,65 6.17,66 200.302,67 6.147,68 1.482,69 1.03,70 17.027,71 7.159,72 231.668,73 8.255,74 0.747,75 1.021,76 23.87,77 8.155,78 90.569,79 10.528,80 0.848,81 1.068,82 22.106,83 7.325,84 108.788,85 8.813,86 0.915,87 1.113,88 17.562,89 6.168,90 122.279,91 6.047,92 0.806,93 0.977,94 20.64,95 6.061,96 98.522,97 6.392,98 0.844,99 0.884,100 18.966,101 5.014,102 121.003,103 5.687,104 62,105 35,106 0.367,107 0.679,108 0.786,109 0.809,110 0.809,111 0.809,112 3.147,113 1.013,114 -2.93,115 -2.93,116 -2.83,119 35.1,121 1,124 2,125 1,132 1,140 3,141 2,142 1,149 1,150 1,169 4,171 3,172 3,176 3,178 4,182 3,186 3,189 4,193 6,199 2,203 6,206 2,211 1,215 3,225 1,226 3,229 2,248 2,259 592,260 13.527,261 13.527,262 13.527,263 13.527,264 13.527,265 12.096,266 12.419,267 7.628,268 14.206,269 11.33,270 11.33,271 11.33,272 11.33,273 11.33,274 9.009,275 11.065,276 3.629,277 12.526,278 3.195,279 1.479,280 0.892,281 0.764,282 0.764,283 0.764,284 3.793,288 1,289 1,290 386,291 4.472,294 52.576,295 58.792,298 93.204,302 1.5,303 44.427,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 52.5,315 193,316 4.999,317 5.697,318 8.104,319 4.515,320 3.69,321 4.702,322 6.006,323 14.439,324 3.104,325 4.547,326 3.799,327 6.547,328 4.072,329 3.089,330 4.496,331 1.914,332 10.362,333 3.016,334 3.694,335 3.16,336 5.548,337 3.321,338 2.4,339 3.093,340 0.8,341 7.323,342 2.222,343 3.393,344 2.603,345 5.157,346 3.134,347 2.223,348 2.679,350 6.14,351 2.018,352 3.284,353 2.443,354 4.972,355 2.883,356 1.966,357 2.368,359 5.735,360 1.806,361 3.145,362 2.058,363 4.624,364 2.765,365 1.841,366 2.182,368 5.024,369 1.598,370 2.715,371 1.357,372 4.129,373 2.236,374 1.259,375 1.808,377 3.437,378 1.228,379 2.222,380 1.246,381 3.392,382 1.794,383 0.842,384 1.119,386 1.928,387 0.799,388 1.608,389 0.903,390 3.251,391 1.374,392 0.407,393 0.479,395 0.946,396 0.392,397 1.182,398 0.51,399 2.883,400 0.812,401 -0.122,402 -0.152,404 -0.348,405 -0.113,406 1,407 0.51,408 2.762,409 0.223,410 -0.745,411 -0.886,413 -2,414 -0.7,415 0.632,416 0.474,417 2.325,418 0.139,419 -0.855,420 -1,422 -2.107,423 -0.7,424 0.568,425 0.007,426 2,428 -1,429 -1,431 -2.666,432 -0.716,433 0.131,434 -0.243,435 2,436 -0.1,437 -1,438 -1,440 -3,441 -0.85,443 -0.587,444 2,445 -0.187,446 -1,447 -1.25,449 -3,450 -0.9,451 9.99,452 0.454,453 0.987,454 0.045,455 26,456 1.182,457 11.5,458 0.523,459 14.5,460 0.659,461 17.047,462 0.775,463 26.61,464 0.719,465 22.25,466 1.011,467 5.292,468 0.241,469 4.808,470 0.219,471 0.253,472 0.133,473 0.24,478 3,479 0.568,480 1.155,481 0.725,482 1.438,483 0.638,484 1.059,485 0.437,486 0.72,487 0.555,488 0.917,489 0.418,490 0.769,491 0.298,492 0.767,493 0.667,494 0.905,495 0.226,496 1.14,497 0.393,498 0.672,499 0.735,500 0.978,501 0.311,502 1.016,503 0.646,504 0.812,505 0.676,506 0.891,507 0.621,508 0.89,509 1.24,510 1.197,511 0.983,512 0.995,513 1.134,514 1.049,515 0.947,516 1.089,517 1.218,518 1.233,519 0.899,520 1.132,521 1.027,522 1.066,523 0.974,524 1.13,525 1.186,526 1.057,527 7.5,528 0.099,529 3.778,530 1.479,531 1.293,532 0.761,533 0.748,534 0.565,535 0.258,536 0.14,537 4256,538 17932,539 1.873,540 40.5,542 11,543 1,545 1,547 2,550 1.646,551 1.671,552 3.115,553 -0.13,555 1,559 74.531,560 2.014,561 3.73,562 4.317,563 4.446,564 4.446,565 4.446,566 2.495,567 3.629,568 4.429,569 3.296,570 761.399,571 7.616,572 8370.09,574 1,576 1,577 192.75,578 1.857,579 4.311,580 0.326,581 0.011,582 0.108,583 0.045,584 0.05,585 0.028,586 0.03,587 0.026,588 0.015,589 0.017,590 0.656,591 0.33,592 1,593 1.672,594 100.84,595 0.008,596 -0.154,597 0.202,598 -0.175,599 -0.117,600 -0.024,601 0.444,602 0.278,603 0.339,604 0.085,605 0.405,606 0.171,607 0.554,608 0.132,609 0.076,610 -0.003,611 0.563,612 -0.181,613 0.105,614 -0.063,615 0.16,616 -0.031,617 0.117,618 0.089,619 0.043,620 -0.121,621 0.214,622 0.005,623 0.049,624 0.153,625 -0.256,626 -0.172,627 -0.087,628 -0.043,629 -0.186,630 -0.093,631 -0.086,632 -0.18,633 -0.174,634 -0.215,635 -0.062,636 -0.153,637 -0.019,638 -0.207,639 0.05,640 -0.211,641 -0.105,642 -0.081,643 6.701,644 4.337,645 0.409,646 17.355,647 1.051,648 1.159,649 1.697,650 2.881,651 0.647,652 3.178,653 3.584,654 3.738,655 3.85,656 4.06,657 4.143,658 4.317,659 4.454,660 4.263,661 4.19,662 5.462,663 0.642,664 336.37,665 3.178,666 4.762,667 5.595,668 6.494,669 7.362,670 8.257,671 9.139,672 10.034,673 10.922,674 11.817,675 5.4,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 37,716 12,717 1,718 23,720 38,721 13,722 8,723 3,724 3,730 2,731 3,743 1,745 8,746 5,750 2,753 1,755 2,761 1,762 3,764 15,765 7,766 1,767 9,768 1,773 2,777 0.5,778 3,788 1,792 1,793 1,796 1,815 1,819 1,821 1,823 2,825 3,827 22,831 1,833 2,835 1,838 1,839 1,846 3,847 8.1,850 2,852 1,854 13.167,855 7.129,856 4.576,857 1.947,858 2.205,859 1.336,860 0.966,861 4.638,862 8.771,863 3.434,864 4.115,865 4.591,866 5.107,867 5.616,868 5.982,869 6.447,870 6.842,871 6.727,872 6.858,873 0.833,874 33,875 11.431,877 4.9135,878 8.674,879 14.604,881 11.897,883 3.174,884 69.833,888 164.795,889 85.93,890 19.91,892 52.858,893 44.88,894 7.75,895 78.18,896 217.654,897 64.79,898 16.793,899 4.64,900 45.226,901 44.313,902 84.338,903 13.915,904 153.024,905 6.125,906 164.795,907 98.09,908 97.739,909 7.75,911 141.253,912 76.401,913 44.88,914 6.125,915 24.55,916 67.415,917 7.75,919 209.676,920 72.768,921 85.93,923 7.75,924 170.92,925 17.786,926 57.393,927 16.786,928 97.739,929 164.795,930 117.649,931 85.93,933 0.614,934 0.329,935 0.133,936 0.077,937 17,938 9,939 0.132,940 5,941 1,942 1.222,943 3.22,944 166.602,945 0.222,946 9,947 89.353,950 1,951 16.972,952 6.012,953 3.887,954 1.335,955 100.863,956 5.698,958 2.986,961 0.508,963 16.786,964 368.374,965 30,968 -5.66,970 22.068,975 38.869,976 42.886,977 0.387,978 0.716,979 0.829,980 0.853,981 0.853,982 0.853,983 4.723,984 0.842,985 5.707,986 3.437,987 4.263,988 4.8,989 4.166,990 6.635,991 4.087,992 6.023,993 0.407,994 7.375,995 1.928,996 4.369,997 5.139,998 4.964,999 8.159,1000 3.996,1001 7.424,1002 -0.122,1003 9.176,1004 0.946,1005 6.084,1006 7.22,1007 7.403,1008 11.178,1009 5.694,1010 8.869,1011 -0.745,1012 11.061,1013 -0.348,1014 6.929,1015 8.303,1016 8.78,1017 13.481,1018 6.317,1019 10.351,1020 -0.855,1021 13.004,1022 -2,1023 8.308,1024 10.017,1025 10.87,1026 16.22,1027 7.641,1028 11.859,1029 -1,1030 14.986,1031 -2.107,1032 9.43,1033 11.379,1034 12.462,1035 18.769,1036 8.555,1037 13.388,1038 -1,1039 16.997,1040 -2.666,1041 10.728,1042 12.976,1043 14.399,1044 21.447,1045 9.75,1046 3.69,1047 -1,1048 19.029,1049 -3,1050 11.955,1051 14.442,1052 16.093,1053 24.074,1054 10.786,1055 3.089,1056 14.439,1057 21.076,1058 -3,1059 13.238,1060 15.998,1061 17.956,1062 26.74,1063 11.933,1064 2.4,1065 10.362,1066 23.135,1067 4.702,1068 14.504,1069 17.504,1070 19.7,1071 29.393,1072 13.019,1073 2.223,1074 7.323,1075 25.201,1076 4.496,1077 15.79,1078 19.045,1079 21.527,1080 32.059,1081 14.149,1082 1.966,1083 6.14,1084 27.274,1085 3.093,1086 17.073,1087 20.567,1088 23.296,1089 34.722,1090 15.255,1091 1.841,1092 5.735,1093 29.351,1094 2.679,1095 18.363,1096 22.103,1097 25.105,1098 37.389,1099 16.379,1100 1.259,1101 5.024,1102 31.431,1103 2.368,1104 19.654,1105 23.632,1106 26.886,1107 40.055,1108 17.495,1109 4479,1110 9576,1111 13.811,1112 23.926,1113 35.734,1114 36.264,1115 36.666,1116 35.677,1117 35.435,1118 45.853,1119 17.44,1120 110.667,1121 32.368,1122 5.846,1123 7.697,1124 7.487,1125 5.586,1126 5.69,1127 7.702,1128 10.217,1129 22.67,1130 5.104,1131 15.301,1132 1.554,1133 1.577,1134 1.594,1135 1.551,1136 1.541,1137 1.994,1138 0.758,1139 4.812,1140 1.407,1141 4.144,1142 4.167,1143 4.739,1144 4.058,1145 8.518,1146 4.058,1147 3.939,1148 3.87,1149 4.075,1150 3.856,1151 7.999,1152 3.737,1153 3.652,1154 3.737,1155 3.512,1156 3.462,1157 7.999,1158 3.46,1159 3.391,1160 3.443,1161 3.301,1162 3.229,1163 7.707,1164 3.232,1165 3.129,1166 3.22,1167 3.072,1168 2.913,1169 6.999,1170 2.912,1171 2.915,1172 3.009,1173 2.941,1174 2.73,1175 4.978,1176 2.709,1177 2.874,1178 2.948,1179 2.677,1180 2.618,1181 4.463,1182 2.57,1183 2.846,1184 2.885,1185 2.499,1186 2.364,1187 4.309,1188 2.474,1189 0.217,1190 0.248,1191 0.352,1192 0.196,1193 0.16,1194 4.999,1195 0.204,1196 5.697,1197 0.261,1198 8.104,1199 0.628,1200 4.515,1201 0.135,1202 3.69,1203 4.702,1204 6.006,1205 14.439,1206 3.104,1207 1.941,1208 1.931,1209 2.019,1210 2.032,1211 1.25,1212 2.035,1213 1.689,1214 1.681,1215 1.898,1216 1.902,1217 1.066,1218 1.91,1219 1.584,1220 1.611,1221 1.692,1222 1.793,1223 0.785,1224 1.799,1225 1.449,1226 1.367,1227 1.42,1228 1.685,1229 0.637,1230 1.692,1231 1.111,1232 1.031,1233 1.417,1234 1.371,1235 0.505,1236 1.392,1237 0.934,1238 0.819,1239 1.139,1240 1.239,1241 0.469,1242 1.308,1243 0.879,1244 0.804,1245 1.095,1246 1.077,1247 0.226,1248 1.084,1249 0.721,1250 0.662,1251 0.971,1252 1.006,1253 0.103,1254 0.965,1255 3.85,1257 5.231,1258 2.398,1259 6.781,1260 4.727,1261 8.41,1262 6.823,1263 10.082,1265 3.804,1267 37.012,1271 1.418,1273 4.147,1276 1.966,1277 -5.451,1280 23.739,1281 74.531,1282 138.021,1283 159.73,1284 164.485,1285 164.485,1286 164.485,1287 54.371,1288 6.565,1289 62.4,1290 70.78,1291 11,1292 12.344,1293 3.7,1294 3,1295 42.202,1296 73,1297 69,1298 0.299,1299 149.277,1300 261.47,1301 355.997,1302 5075,1303 8.1,1304 16.544,1305 0.752,1306 0.58,1307 14.294,1308 12.754,1309 10.099,1310 0.439,1311 0.338,1312 6.29,1313 8.691,1314 6.014,1315 5.002,1316 9.776,1317 7.763,1318 10.75,1319 0.307,1320 0.188,1321 10.559,1322 6.596,1323 7.615,1324 0.186,1325 0.098,1326 6.137,1327 4.035,1328 5.056,1329 0.11,1330 0.052,1331 5.42,1332 2.386,1333 4.147,1334 0.073,1335 0.029,1336 4.163,1337 1.653,1338 0.461,1339 73.86,1340 0.269,1341 21.503,1342 0.842,1343 116,1344 596.378,1345 190.94,1346 505.142,1347 641.66,1348 458,1349 134,1350 411.404,1351 205.719,1352 436.535,1353 658.65,1354 401,1355 8.286} {0 CHEMBL143890,1 1.428,2 15.706,3 3.146,4 9.898,5 138.038,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.304,13 3.787,14 4.874,15 5.07,16 4.137,17 4.253,18 5.773,19 4.184,20 5.178,21 5.423,22 4.146,23 4.413,24 6.015,25 4.291,26 5.284,27 5.549,28 4.077,29 4.438,30 6.084,31 4.284,32 5.292,33 5.578,34 4.018,35 4.397,36 6.027,37 4.227,38 5.248,39 5.541,40 3.965,41 4.325,42 5.985,43 4.162,44 5.144,45 5.43,46 3.91,47 4.251,48 5.9,49 4.093,50 5.05,51 5.333,52 3.76,53 4.183,54 5.756,55 4.01,56 0.103,57 1.046,58 15.933,59 6.109,60 15.156,61 8.832,62 0.264,63 1.705,64 29.151,65 10.29,66 23.993,67 15.286,68 0.377,69 2.065,70 40.486,71 14.209,72 42.363,73 21.299,74 0.419,75 2.158,76 45.6,77 16.233,78 53.116,79 24.016,80 0.375,81 2.122,82 46.122,83 16.439,84 45.088,85 24.667,86 0.437,87 2.016,88 44.632,89 14.972,90 45.564,91 22.779,92 0.461,93 1.861,94 40.046,95 13.501,96 43.619,97 20.557,98 0.322,99 1.725,100 36.027,101 12.439,102 30.651,103 19.042,104 5,105 52,106 0.224,107 0.568,108 0.764,109 0.834,110 0.853,111 0.853,112 3.56,113 0.974,114 -4.79,115 -4.7,116 -4.41,119 39.7,120 1,121 4,125 3,127 3,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 7,178 12,182 3,185 1,186 7,189 9,193 6,195 1,197 5,199 9,203 6,206 1,208 5,211 8,215 5,218 1,220 2,222 8,226 4,229 3,231 1,233 6,236 1,237 5,242 3,244 5,249 2,254 2,256 4,259 2142,260 23.499,261 23.499,262 23.499,263 23.499,264 23.499,265 21.085,266 31.4,267 14.034,268 23.93,269 18.77,270 18.77,271 18.77,272 18.77,273 18.77,274 15.216,275 44.25,276 6.684,277 19.495,278 4.66,279 2.471,280 1.225,281 0.78,282 0.658,283 0.658,284 4.269,289 1,290 1186,291 3.742,294 188.495,295 360.947,298 161.506,302 2.464,303 19.569,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 534,316 4.568,317 3.284,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.196,327 6.339,328 3.918,329 2.95,330 3.731,331 0.765,332 9.428,333 2.853,334 4.12,335 2.905,336 6.095,337 3.69,338 2.753,339 3.562,340 0.4,341 8.884,342 2.578,343 3.681,344 2.873,345 5.524,346 3.593,347 2.641,348 2.813,350 7.465,351 2.517,352 3.447,353 2.528,354 5.235,355 3.233,356 2.285,357 2.72,359 6.604,360 2.164,361 3.397,362 2.186,363 5.126,364 3.026,365 2.043,366 2.593,368 6,369 2.004,370 3.249,371 2.062,372 4.895,373 2.93,374 1.959,375 2.508,377 5.379,378 1.894,379 3.116,380 1.795,381 4.514,382 2.73,383 1.775,384 2.179,386 4.655,387 1.69,388 2.757,389 1.558,390 4.134,391 2.415,392 1.427,393 1.852,395 3.482,396 1.408,397 2.732,398 1.364,399 3.777,400 2.307,401 1.322,402 1.801,404 3.146,405 1.301,406 2.5,407 1.162,408 3.473,409 2.087,410 1.122,411 1.5,413 2.533,414 1.08,415 2.426,416 1.077,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.256,425 1.012,426 3.323,427 1.984,428 1,429 1.198,431 2.136,432 0.983,433 2.118,434 1,435 3.265,436 1.861,437 0.896,438 1,440 2.1,441 0.863,442 2,443 0.925,444 3.247,445 1.606,446 0.675,447 0.927,449 1.636,450 0.623,451 16.233,452 0.477,453 0.674,454 0.02,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 33.518,462 0.986,463 37.167,464 0.547,465 28.278,466 0.832,467 7.65,468 0.225,469 9.02,470 0.265,471 0.051,473 0.296,479 0.963,480 1.363,481 0.898,482 1.12,483 0.92,484 1.022,485 1.07,486 1.152,487 1.021,488 1.057,489 0.827,490 1.032,491 0.998,492 1.038,493 1.05,494 1.059,495 0.809,496 1.056,497 1.091,498 1.011,499 1.058,500 1.071,501 1.219,502 1.072,503 0.809,504 1.011,505 0.932,506 1.04,507 0.904,508 1.011,509 1.026,510 0.926,511 0.939,512 0.924,513 1.079,514 0.927,515 0.91,516 0.922,517 0.959,518 0.937,519 0.953,520 0.954,521 0.798,522 0.984,523 1.067,524 1.057,525 0.668,526 1.079,527 5.5,528 0.115,529 3.778,530 1.694,531 1.357,532 0.993,533 0.626,534 0.253,535 0.233,536 0.201,537 21266,538 47116,539 2.163,540 50,541 2,542 17,543 1,544 2,545 3,547 5,548 4,550 1.752,551 2.082,552 3.912,553 0.782,559 97.082,560 1.428,561 3.617,562 4.863,563 5.308,564 5.429,565 5.429,566 3.363,567 4.337,568 5.061,569 4.123,570 2312.97,571 8.827,572 38564.6,577 413.947,578 1.166,579 5.043,580 0.145,581 0.004,582 0.073,583 0.034,584 0.03,585 0.024,586 0.016,587 0.007,588 0.007,589 0.007,590 0.346,591 0.17,592 0.88,593 0.39,594 188.054,595 0.02,596 -0.108,597 0.064,598 -0.012,599 -0.017,600 0.02,601 -0.047,602 0.014,603 -0.043,604 -0.019,605 -0.01,606 -0.029,607 -0.042,608 -0.005,609 -0.074,610 -0.047,611 0.08,612 -0.058,613 -0.069,614 -0.056,615 -0.077,616 -0.066,617 -0.044,618 -0.074,619 0.04,620 -0.095,621 0.039,622 -0.044,623 0.025,624 -0.01,625 -0.024,626 -0.01,627 0.051,628 0.044,629 -0.036,630 0.052,631 0.055,632 0.022,633 0.028,634 0.034,635 -0.024,636 0.026,637 -0.047,638 -0.012,639 -0.099,640 -0.075,641 -0.083,642 -0.088,643 1.805,644 4.641,645 0.765,646 42.353,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.97,654 4.248,655 4.477,656 4.635,657 4.691,658 4.828,659 4.934,660 4.97,661 5.024,662 9.239,663 0.606,664 458.67,665 3.664,666 5.198,667 6.047,668 6.911,669 7.772,670 8.64,671 9.506,672 10.376,673 11.246,674 12.119,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 7,745 16,746 11,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,780 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,823 1,827 34,832 1,833 7,834 1,837 3,838 1,844 1,847 1.5,848 1,854 16.333,855 11.917,856 7.472,857 4.286,858 3.48,859 1.422,860 0.972,861 7.287,862 11.736,863 3.902,864 4.466,865 5.048,866 5.616,867 6.041,868 6.361,869 6.802,870 7.205,871 7.386,872 7.609,873 1,874 50,875 12.603,877 5.349,878 7.495,879 24.914,881 21.096,883 1.995,884 67.833,888 364.904,889 141.22,890 73.146,892 42.683,895 141.22,896 407.588,897 73.146,898 8.825,899 16.455,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 214.366,908 42.683,911 258.964,912 105.94,913 42.683,915 82.337,916 98.702,917 33.326,919 364.904,920 115.829,921 141.22,924 364.904,925 30.3,926 115.943,927 34.796,928 76.009,929 364.904,930 115.829,931 141.22,933 0.577,934 0.341,935 0.181,936 0.091,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.768,944 306.325,945 0.077,946 26,947 160.974,951 23.097,952 10.727,953 5.542,954 2.45,955 97.144,956 21.98,957 7.832,958 3.411,961 3.427,962 1.939,963 77.48,964 621.953,965 48.5,975 67.309,976 77.012,977 0.235,978 0.594,979 0.799,980 0.872,981 0.892,982 0.892,983 5.131,984 1.775,985 6.009,986 5.379,987 4.654,988 5.153,989 1.238,990 6.788,991 4.581,992 6.301,993 1.427,994 7.546,995 4.655,996 4.111,997 4.783,998 0.325,999 7.615,1000 3.992,1001 7.581,1002 1.322,1003 9.184,1004 3.482,1005 6.217,1006 7.301,1007 0.787,1008 10.71,1009 6.074,1010 8.899,1011 1.122,1012 10.883,1013 3.146,1014 6.553,1015 7.885,1016 0.268,1017 12.396,1018 6.363,1019 10.255,1020 1,1021 12.623,1022 2.533,1023 8.062,1024 9.801,1025 0.518,1026 14.978,1027 7.856,1028 11.637,1029 1,1030 14.39,1031 2.275,1032 8.798,1033 10.848,1034 0.188,1035 17.012,1036 8.554,1037 13.041,1038 0.896,1039 16.177,1040 2.136,1041 10.066,1042 12.515,1043 0.34,1044 19.419,1045 9.805,1046 3.118,1047 0.675,1048 17.978,1049 2.1,1050 10.995,1051 13.794,1052 0.125,1053 21.606,1054 10.704,1055 2.95,1056 10.431,1057 19.79,1058 1.636,1059 12.162,1060 15.356,1061 0.219,1062 23.951,1063 11.854,1064 2.753,1065 9.428,1066 21.611,1067 4.518,1068 13.182,1069 16.749,1070 0.082,1071 26.206,1072 12.851,1073 2.641,1074 8.884,1075 23.439,1076 3.731,1077 14.309,1078 18.269,1079 0.139,1080 28.53,1081 13.962,1082 2.285,1083 7.465,1084 25.273,1085 3.562,1086 15.374,1087 19.717,1088 0.054,1089 30.819,1090 15.007,1091 2.043,1092 6.604,1093 27.112,1094 2.813,1095 16.487,1096 21.223,1097 0.087,1098 33.139,1099 16.104,1100 1.959,1101 6,1102 28.954,1103 2.72,1104 17.575,1105 22.698,1106 0.035,1107 35.445,1108 17.175,1109 19502,1110 29224,1111 26.235,1112 44.148,1113 57.16,1114 56.549,1115 57.134,1116 56.536,1117 56.555,1118 71.94,1119 3.929,1120 158.399,1121 54.467,1122 5.568,1123 5.284,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.565,1129 17.155,1130 5.062,1131 11.236,1132 1.504,1133 1.488,1134 1.504,1135 1.488,1136 1.488,1137 1.893,1138 0.103,1139 4.168,1140 1.433,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 6.45,1146 4.07,1147 3.955,1148 4,1149 3.873,1150 3.872,1151 5.135,1152 3.867,1153 3.86,1154 3.918,1155 3.79,1156 3.715,1157 4.927,1158 3.714,1159 3.823,1160 3.894,1161 3.741,1162 3.587,1163 4.732,1164 3.624,1165 3.597,1166 3.667,1167 3.463,1168 3.426,1169 4.41,1170 3.428,1171 3.484,1172 3.549,1173 3.337,1174 3.344,1175 4.26,1176 3.335,1177 3.28,1178 3.347,1179 3.167,1180 3.118,1181 4.143,1182 3.121,1183 3.111,1184 3.206,1185 2.922,1186 2.941,1187 3.911,1188 2.91,1189 0.12,1190 0.086,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.284,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.08,1210 2.068,1211 1.431,1212 2.076,1213 1.927,1214 1.897,1215 2.045,1216 2.047,1217 1.281,1218 2.046,1219 1.843,1220 1.783,1221 2.019,1222 1.992,1223 1.206,1224 2.005,1225 1.671,1226 1.614,1227 1.881,1228 1.841,1229 1.115,1230 1.858,1231 1.536,1232 1.473,1233 1.786,1234 1.738,1235 0.949,1236 1.754,1237 1.405,1238 1.334,1239 1.586,1240 1.658,1241 0.825,1242 1.64,1243 1.315,1244 1.25,1245 1.513,1246 1.514,1247 0.755,1248 1.522,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.582,1254 1.429,1255 4.344,1257 5.652,1258 3.045,1259 7.148,1260 5.283,1261 8.724,1262 7.286,1263 10.344,1265 2.083,1270 10.641,1271 7.791,1272 3.661,1275 0.041,1276 2.577,1280 41.218,1281 97.082,1282 245.945,1283 330.663,1284 360.928,1285 369.193,1286 369.193,1287 52.065,1288 8.256,1289 82,1290 82,1291 28,1292 12.661,1293 4.459,1294 3.524,1295 50.515,1296 194,1297 168,1298 0.124,1299 251.212,1300 421.29,1301 604.718,1302 56224,1304 23.33,1305 0.686,1306 0.581,1307 23.33,1308 19.769,1309 16.67,1310 0.439,1311 0.325,1312 12.194,1313 16.126,1314 11.935,1315 9.878,1316 16.67,1317 12.336,1318 14.667,1319 0.282,1320 0.182,1321 14.667,1322 9.443,1323 12.819,1324 0.186,1325 0.103,1326 12.819,1327 7.089,1328 10.385,1329 0.119,1330 0.058,1331 10.385,1332 5.086,1333 7.888,1334 0.077,1335 0.034,1336 7.888,1337 3.515,1338 0.206,1339 103.646,1340 0.195,1341 32.489,1342 0.314,1343 180,1344 419.396,1345 193.261,1346 414.928,1347 581.65,1348 392,1349 211,1350 440.326,1351 225.843,1352 448.108,1353 651.12,1354 423,1355 7.921} {0 CHEMBL143893,1 1.348,2 15.656,3 3.857,4 14.88,5 132.474,6 6.697,7 0.583,8 4.244,9 4.388,10 3.74,11 3.779,12 5.211,13 3.737,14 4.813,15 5.015,16 4.051,17 4.208,18 5.67,19 4.128,20 5.094,21 5.345,22 4.011,23 4.353,24 5.823,25 4.209,26 5.188,27 5.472,28 3.913,29 4.33,30 5.875,31 4.155,32 5.146,33 5.452,34 3.827,35 4.235,36 5.795,37 4.055,38 5.018,39 5.308,40 3.821,41 4.172,42 5.684,43 4.013,44 4.973,45 5.245,46 3.834,47 4.161,48 5.702,49 4.01,50 4.985,51 5.267,52 3.695,53 4.13,54 5.683,55 3.955,56 0.098,57 0.997,58 14.964,59 5.716,60 12.779,61 8.394,62 0.261,63 1.624,64 27.443,65 9.704,66 21.359,67 14.545,68 0.242,69 1.931,70 36.751,71 13.809,72 25.496,73 20.612,74 0.295,75 2.002,76 41.102,77 14.738,78 32.24,79 22.394,80 0.358,81 1.866,82 39.895,83 13.989,84 31.886,85 21.339,86 0.279,87 1.691,88 34.758,89 12.431,90 24.426,91 18.859,92 0.281,93 1.667,94 33.001,95 11.874,96 26.616,97 17.919,98 0.296,99 1.644,100 33.644,101 11.776,102 27.474,103 17.928,105 48,106 0.214,107 0.547,108 0.737,109 0.823,110 0.844,111 0.844,112 3.501,113 0.981,114 -5.35,115 -5.23,116 -4.89,119 40.6,121 4,122 1,125 5,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 5,176 5,178 12,182 4,186 7,189 8,193 6,197 3,199 6,203 6,206 2,208 1,211 9,215 4,218 1,222 10,226 4,229 2,231 1,233 8,236 1,237 5,242 3,244 5,249 2,254 2,256 4,259 1900,260 22.499,261 22.499,262 22.499,263 22.499,264 22.499,265 20.06,266 26.191,267 13.687,268 22.896,269 17.835,270 17.835,271 17.835,272 17.835,273 17.835,274 14.253,275 28.29,276 6.557,277 18.472,278 4.652,279 2.555,280 1.36,281 0.817,282 0.688,283 0.688,284 4.217,289 1,290 1122,291 3.162,294 173.307,295 334.351,298 147.897,302 2.574,303 11.805,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67,315 501,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.899,327 6.095,328 3.69,329 2.753,330 3.731,331 0.657,332 8.884,333 2.583,334 3.898,335 2.868,336 5.494,337 3.625,338 2.662,339 3.444,341 7.395,342 2.569,343 3.657,344 2.759,345 5.339,346 3.507,347 2.517,348 2.813,350 6.965,351 2.492,352 3.432,353 2.365,354 5.148,355 3.179,356 2.223,357 2.657,359 6.38,360 2.116,361 3.255,362 2.179,363 5.107,364 2.999,365 2.023,366 2.59,368 5.994,369 1.966,370 3.209,371 1.795,372 4.514,373 2.73,374 1.776,375 2.23,377 4.655,378 1.69,379 2.93,380 1.7,381 4.134,382 2.536,383 1.552,384 2.089,386 3.483,387 1.527,388 2.742,389 1.38,390 3.682,391 2.319,392 1.334,393 1.847,395 3.239,396 1.314,397 2.5,398 1.288,399 3.485,400 2.122,401 1.16,402 1.5,404 2.598,405 1.113,406 2.431,407 1.139,408 3.414,409 2,410 1.041,411 1.408,413 2.299,414 1,415 2.287,416 1.077,417 3.34,418 1.989,419 1,420 1.245,422 2.275,423 0.984,424 2.17,425 1,426 3.289,427 1.984,428 1,429 1.123,431 2.136,432 0.983,433 2.118,434 0.928,435 3.247,436 1.854,437 0.889,438 1,440 2.081,441 0.856,442 2,443 0.665,444 3.166,445 1.558,446 0.618,447 0.927,449 1.454,450 0.573,451 15.4,452 0.481,453 0.496,454 0.015,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 29.053,462 0.908,463 34.4,464 0.538,465 25.6,466 0.8,467 7.441,468 0.233,469 8.407,470 0.263,473 0.247,479 0.937,480 1.366,481 0.89,482 1.12,483 0.703,484 1.02,485 1.233,486 1.074,487 1.067,488 1.02,489 0.876,490 1.026,491 0.887,492 1.099,493 1.051,494 1.125,495 0.716,496 1.107,497 0.892,498 1.051,499 1.016,500 1.071,501 0.795,502 1.058,503 0.818,504 0.871,505 0.901,506 0.91,507 0.805,508 0.913,509 0.817,510 0.921,511 0.885,512 0.924,513 0.701,514 0.914,515 0.835,516 1.028,517 0.978,518 1.046,519 0.852,520 1.029,521 1.046,522 0.982,523 1.107,524 1.061,525 1.203,526 1.085,527 4.5,528 0.099,529 2.889,530 0.944,531 0.837,532 0.764,533 0.485,534 0.162,535 0.183,536 0.181,537 18892,538 39650,539 2.213,540 50,541 2,542 18,543 1,544 2,545 2,547 7,550 1.736,551 2.182,552 3.896,553 0.146,559 86.279,560 1.348,561 3.445,562 4.64,563 5.183,564 5.313,565 5.313,566 3.382,567 4.375,568 4.97,569 4.118,570 2042.57,571 8.643,572 32964.4,574 1,577 384,578 0.811,579 4.975,580 0.125,581 0.004,582 0.06,583 0.021,584 0.022,585 0.022,586 0.013,587 0.005,588 0.006,589 0.007,590 0.286,591 0.17,592 0.88,594 174.505,595 0.115,596 -0.128,597 0.081,598 -0.036,599 0.24,600 0.01,601 -0.067,602 0.079,603 -0.078,604 -0.001,605 0.025,606 -0.034,607 -0.063,608 -0.096,609 -0.086,610 -0.099,611 0.041,612 -0.095,613 -0.032,614 -0.11,615 -0.042,616 -0.079,617 0.035,618 -0.065,619 0.085,620 0.038,621 0.083,622 0.059,623 0.074,624 0.069,625 0.059,626 0.014,627 0.093,628 0.063,629 0.108,630 0.078,631 0.081,632 -0.053,634 -0.052,635 0.031,636 -0.037,637 -0.082,638 -0.019,639 -0.125,640 -0.083,641 -0.222,642 -0.104,643 0.564,644 1.148,645 0.813,646 42.32,647 0.986,648 1.131,649 4.115,650 16.936,651 0.655,652 3.611,653 3.892,654 4.159,655 4.394,656 4.554,657 4.615,658 4.745,659 4.86,660 4.927,661 4.997,662 9.157,663 0.609,664 428.64,665 3.611,666 5.13,667 5.969,668 6.821,669 7.673,670 8.532,671 9.39,672 10.254,673 11.118,674 11.986,675 9.4,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 4,745 16,746 10,747 1,764 32,765 4,766 2,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,827 32,833 9,834 1,837 1,838 1,844 1,854 14.667,855 11.05,856 7.083,857 4.066,858 3.531,859 1.432,860 1.015,861 6.854,862 11.699,863 3.861,864 4.419,865 5.002,866 5.577,867 6.004,868 6.324,869 6.767,870 7.187,871 7.382,872 7.607,873 1,874 44,875 11.832,877 4.952,878 7.38,879 23.699,881 19.986,883 1.88,884 60.167,888 353.133,889 136.606,890 73.146,895 136.606,896 353.133,897 73.146,899 20.667,900 102.868,901 74.105,902 33.51,903 13.915,904 317.82,906 353.133,907 209.752,911 270.735,912 82.398,915 77.724,916 98.702,917 33.326,919 353.133,920 73.146,921 136.606,924 353.133,925 34.512,926 107.118,927 34.796,928 33.326,929 353.133,930 73.146,931 136.606,933 0.568,934 0.329,935 0.177,936 0.089,937 23,938 8,939 0.132,940 9,941 1,942 1.077,943 4.734,944 277.44,945 0.077,946 26,947 146,951 21.234,952 10.329,953 5.423,954 2.5,955 54.461,956 22.831,957 7.843,958 3.425,961 3.872,962 1.953,963 34.796,964 562.885,965 46.5,975 63.098,976 72.387,977 0.225,978 0.574,979 0.773,980 0.864,981 0.885,982 0.885,983 5.07,984 1.552,985 5.905,986 4.655,987 4.575,988 5.106,989 1.038,990 6.65,991 4.509,992 6.228,993 1.334,994 7.413,995 3.483,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.499,1002 1.16,1003 9.021,1004 3.239,1005 6.098,1006 7.26,1007 0.607,1008 10.493,1009 5.971,1010 8.81,1011 1.041,1012 10.692,1013 2.598,1014 6.33,1015 7.822,1016 0.268,1017 12.154,1018 6.172,1019 10.16,1020 1,1021 12.407,1022 2.299,1023 7.897,1024 9.765,1025 0.359,1026 14.718,1027 7.716,1028 11.538,1029 1,1030 14.152,1031 2.275,1032 8.564,1033 10.806,1034 0.188,1035 16.756,1036 8.355,1037 12.939,1038 0.889,1039 15.92,1040 2.136,1041 9.86,1042 12.486,1043 0.214,1044 19.153,1045 9.632,1046 3.118,1047 0.618,1048 17.705,1049 2.081,1050 10.746,1051 13.764,1052 0.125,1053 21.354,1054 10.495,1055 2.753,1056 10.431,1057 19.503,1058 1.454,1059 11.925,1060 15.333,1061 0.129,1062 23.7,1063 11.657,1064 2.662,1065 8.884,1066 21.313,1067 4.518,1068 12.923,1069 16.728,1070 0.082,1071 25.973,1072 12.635,1073 2.517,1074 7.395,1075 23.132,1076 3.731,1077 14.055,1078 18.252,1079 0.079,1080 28.305,1081 13.752,1082 2.223,1083 6.965,1084 24.958,1085 3.444,1086 15.11,1087 19.702,1088 0.054,1089 30.612,1090 14.79,1091 2.023,1092 6.38,1093 26.791,1094 2.813,1095 16.227,1096 21.21,1097 0.048,1098 32.942,1099 15.892,1100 1.776,1101 5.994,1102 28.63,1103 2.657,1104 17.311,1105 22.688,1106 0.035,1107 35.265,1108 16.962,1109 17180,1110 25113,1111 25.424,1112 41.932,1113 53.259,1114 52.806,1115 52.854,1116 52.832,1117 52.869,1118 68.237,1119 2.915,1120 144.082,1121 51.093,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1132 1.479,1133 1.467,1134 1.468,1135 1.468,1136 1.469,1137 1.895,1138 0.081,1139 4.002,1140 1.419,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.07,1147 3.94,1148 3.991,1149 3.85,1150 3.858,1151 4.927,1152 3.851,1153 3.863,1154 3.918,1155 3.79,1156 3.736,1157 4.759,1158 3.73,1159 3.824,1160 3.896,1161 3.744,1162 3.588,1163 4.377,1164 3.625,1165 3.565,1166 3.638,1167 3.419,1168 3.405,1169 4.258,1170 3.403,1171 3.387,1172 3.469,1173 3.256,1174 3.194,1175 4.152,1176 3.2,1177 3.264,1178 3.336,1179 3.132,1180 3.092,1181 3.917,1182 3.091,1183 3.111,1184 3.206,1185 2.91,1186 2.941,1187 3.72,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.196,1197 0.022,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.091,1210 2.066,1211 1.467,1212 2.077,1213 1.919,1214 1.884,1215 2.043,1216 2.045,1217 1.286,1218 2.045,1219 1.858,1220 1.802,1221 2.025,1222 1.988,1223 1.156,1224 2.004,1225 1.673,1226 1.617,1227 1.884,1228 1.838,1229 1.12,1230 1.857,1231 1.431,1232 1.355,1233 1.652,1234 1.686,1235 0.862,1236 1.676,1237 1.381,1238 1.311,1239 1.565,1240 1.624,1241 0.825,1242 1.616,1243 1.276,1244 1.201,1245 1.513,1246 1.489,1247 0.709,1248 1.502,1249 1.153,1250 1.064,1251 1.482,1252 1.442,1253 0.591,1254 1.429,1255 4.29,1257 5.58,1258 3.045,1259 7.055,1260 5.283,1261 8.615,1262 7.286,1263 10.22,1271 10.644,1272 3.648,1275 0.805,1276 2.644,1280 38.977,1281 86.279,1282 220.481,1283 296.98,1284 331.735,1285 340,1286 340,1287 39.095,1288 8.168,1289 61.77,1290 61.77,1291 28,1292 12.531,1293 4.459,1294 3.524,1295 46.235,1296 179,1297 172,1298 0.122,1299 237.624,1300 395.2,1301 571.561,1302 51426,1304 21.589,1305 0.675,1306 0.581,1307 21.589,1308 18.581,1309 15.848,1310 0.44,1311 0.327,1312 11.642,1313 15.364,1314 11.415,1315 9.458,1316 15.848,1317 11.77,1318 13.632,1319 0.284,1320 0.186,1321 13.632,1322 8.918,1323 11.772,1324 0.187,1325 0.106,1326 11.772,1327 6.7,1328 9.744,1329 0.122,1330 0.06,1331 9.744,1332 4.792,1333 7.415,1334 0.079,1335 0.036,1336 7.415,1337 3.375,1338 0.203,1339 98.232,1340 0.198,1341 31.137,1342 0.307,1343 168,1344 375.246,1345 178.491,1346 375.345,1347 530.67,1348 356,1349 195,1350 404.49,1351 207.129,1352 414.038,1353 598.04,1354 390,1355 8.524} {0 CHEMBL143894,1 1.44,2 15.059,3 2.872,4 8.248,5 136.599,6 6.919,7 0.538,8 4.295,9 4.43,10 3.816,11 3.829,12 5.282,13 3.798,14 4.876,15 5.063,16 4.183,17 4.286,18 5.77,19 4.223,20 5.185,21 5.424,22 4.178,23 4.436,24 6.011,25 4.318,26 5.26,27 5.525,28 4.089,29 4.443,30 6.022,31 4.291,32 5.26,33 5.543,34 4.03,35 4.375,36 6.004,37 4.215,38 5.181,39 5.456,40 3.976,41 4.307,42 5.938,43 4.159,44 5.116,45 5.392,46 3.9,47 4.236,48 5.878,49 4.077,50 5.031,51 5.331,52 3.698,53 4.113,54 5.712,55 3.939,56 0.097,57 1.034,58 15.166,59 5.962,60 13.806,61 8.446,62 0.253,63 1.732,64 28.42,65 10.354,66 21.251,67 15.039,68 0.379,69 2.108,70 40.416,71 14.488,72 38.862,73 21.327,74 0.355,75 2.183,76 44.108,77 16.052,78 41.862,79 23.786,80 0.37,81 2.08,82 44.904,83 16.156,84 44.168,85 23.91,86 0.415,87 1.951,88 41.584,89 14.337,90 41.168,91 21.277,92 0.419,93 1.853,94 38.808,95 13.478,96 40.278,97 20.203,98 0.361,99 1.679,100 36.047,101 11.886,102 31.528,103 18.332,104 2,105 55,106 0.227,107 0.58,108 0.772,109 0.843,110 0.866,111 0.871,112 3.56,113 0.957,114 -4.79,115 -4.7,116 -4.41,119 40.9,121 5,125 3,127 3,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 7,178 14,182 3,185 1,186 8,189 10,193 6,195 1,197 5,199 8,203 6,206 1,208 5,211 10,215 5,218 1,220 1,222 7,226 6,229 3,231 1,233 4,236 1,237 5,242 3,244 3,249 1,254 2,256 6,259 2046,260 23.739,261 23.739,262 23.739,263 23.739,264 23.739,265 21.325,266 30.154,267 14.024,268 24.166,269 19.301,270 19.301,271 19.301,272 19.301,273 19.301,274 15.695,275 40.742,276 6.69,277 20.021,278 4.604,279 2.361,280 1.143,281 0.69,282 0.545,283 0.515,284 4.283,289 1,290 1169,291 3.082,294 260.878,295 310.35,298 307.488,302 2.294,303 20.469,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 512,316 4.568,317 3.478,318 6.726,319 4.165,320 3.184,321 4.518,322 0.8,323 10.951,324 3.124,325 4.396,326 3.196,327 6.566,328 4.099,329 3.118,330 3.913,331 0.657,332 10.431,333 3.062,334 4.129,335 2.903,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.578,343 3.671,344 2.871,345 5.579,346 3.595,347 2.644,348 2.813,350 7.512,351 2.517,352 3.443,353 2.518,354 5.402,355 3.223,356 2.273,357 2.708,359 6.818,360 2.154,361 3.396,362 2.265,363 5.136,364 3.047,365 2.073,366 2.593,368 6.082,369 2.017,370 3.249,371 2.18,372 5.084,373 2.972,374 2.006,375 2.509,377 5.975,378 1.925,379 3.126,380 2.001,381 4.742,382 2.73,383 1.776,384 2.174,386 4.917,387 1.69,388 2.934,389 1.795,390 4.514,391 2.662,392 1.675,393 2.052,395 4.655,396 1.65,397 2.758,398 1.449,399 4.134,400 2.344,401 1.354,402 1.848,404 3.482,405 1.338,406 2.741,407 1.37,408 3.622,409 2.313,410 1.328,411 1.838,413 2.936,414 1.307,415 2.428,416 1.173,417 3.569,418 2.094,419 1.129,420 1.403,422 2.565,423 1.087,424 2.264,425 1.077,426 3.453,427 1.984,428 1,429 1.208,431 2.275,432 0.983,433 2.118,434 0.991,435 3.414,436 1.868,437 0.904,438 1,440 2.162,441 0.869,442 2.065,443 0.912,444 3.315,445 1.788,446 0.821,447 0.984,449 2.052,450 0.791,451 16.233,452 0.477,453 0.688,454 0.02,455 40.75,456 1.199,457 18,458 0.529,459 22.75,460 0.669,461 33.128,462 0.974,463 36.567,464 0.554,465 28.081,466 0.826,467 7.635,468 0.225,469 9.107,470 0.268,471 0.021,473 0.326,479 0.951,480 1.312,481 0.86,482 1.069,483 0.881,484 0.974,485 1.049,486 1.12,487 1.007,488 1.035,489 0.821,490 1.015,491 1.028,492 1.058,493 1.059,494 1.067,495 0.955,496 1.067,497 0.822,498 1.02,499 1.033,500 1.093,501 0.725,502 1.087,503 0.851,504 0.969,505 0.912,506 1.01,507 0.963,508 0.981,509 1.121,510 0.942,511 0.996,512 0.961,513 1.233,514 0.972,515 0.86,516 1.038,517 1.003,518 1.052,519 0.947,520 1.051,521 0.859,522 0.871,523 1.01,524 0.924,525 0.647,526 0.965,527 5.5,528 0.098,529 3.778,530 2.021,531 1.383,532 1.032,533 0.515,534 0.319,535 0.239,536 0.173,537 21844,538 47622,539 2.234,540 48.5,541 2,542 16,543 1,544 2,545 3,547 4,548 4,550 1.752,551 2.17,552 3.829,553 0.782,559 95.038,560 1.44,561 3.683,562 4.902,563 5.355,564 5.499,565 5.529,566 3.248,567 4.631,568 5.064,569 4.06,570 2277.7,571 8.829,572 37399.6,577 398.93,578 1.083,579 5.051,580 0.141,581 0.004,582 0.069,583 0.039,584 0.03,585 0.024,586 0.013,587 0.009,588 0.008,589 0.006,590 0.342,591 0.17,592 0.88,593 0.299,594 187.057,595 0.013,596 -0.083,597 0.071,598 0.01,599 0.002,600 0.037,601 -0.059,602 0.036,603 -0.053,604 -0.008,605 -0.028,606 -0.026,607 -0.056,608 -0.041,609 -0.088,610 -0.057,611 0.003,612 -0.073,613 -0.021,614 -0.055,615 -0.067,616 -0.088,617 0.029,618 -0.082,619 0.045,620 -0.064,621 0.071,622 -0.013,623 0.053,624 0.024,625 -0.063,626 -0.01,627 -0.001,628 0.021,629 -0.077,630 0.015,631 0.075,632 -0.097,633 -0.017,634 -0.071,635 -0.022,636 -0.062,637 -0.047,638 0.07,639 -0.021,640 0.028,641 -0.056,642 0.013,643 1.642,644 4.563,645 0.853,646 39.304,647 0.991,648 1.13,649 3.557,650 12.655,651 0.657,652 3.689,653 4.025,654 4.344,655 4.635,656 4.82,657 4.898,658 5.043,659 5.187,660 5.204,661 5.257,662 8.944,663 0.617,664 456.65,665 3.689,666 5.242,667 6.111,668 6.997,669 7.88,670 8.769,671 9.657,672 10.548,673 11.439,674 12.331,675 9.1,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 66,716 21,717 2,718 39,720 71,721 27,722 16,723 5,724 7,730 6,731 8,740 6,743 8,745 16,746 11,764 32,765 5,766 3,767 7,773 6,777 0.667,778 1,780 1,788 1,792 3,793 3,796 2,814 1,815 1,817 1,819 4,827 34,832 1,833 8,834 1,837 3,838 1,844 1,847 1.5,848 1,854 15.667,855 11.333,856 7.333,857 4.196,858 3.763,859 1.429,860 1.001,861 6.124,862 12.532,863 3.922,864 4.511,865 5.116,866 5.709,867 6.146,868 6.478,869 6.908,870 7.312,871 7.46,872 7.67,873 0.9,874 52,875 12.623,877 5.498,878 7.471,879 25.091,881 21.923,883 1.971,884 67,888 341.362,889 128.639,890 73.146,892 42.683,895 128.639,896 384.045,897 73.146,899 18.99,900 136.075,901 74.105,902 36.695,903 13.915,904 306.049,906 341.362,907 201.784,908 42.683,911 247.193,912 94.169,913 42.683,915 76.047,916 92.412,917 33.326,919 341.362,920 115.829,921 128.639,924 341.362,925 36.02,926 97.642,927 34.796,928 76.009,929 341.362,930 115.829,931 128.639,933 0.582,934 0.348,935 0.195,936 0.101,937 29,938 11,939 0.099,940 7,941 2,942 1.138,943 4.785,944 320.928,945 0.138,946 29,947 164.974,951 21.843,952 9.532,953 4.535,954 2.457,955 97.144,956 20.523,957 7.841,958 3.417,961 5.026,962 1.942,963 77.48,964 585.83,965 49.5,975 65.425,976 74.597,977 0.238,978 0.609,979 0.811,980 0.886,981 0.91,982 0.915,983 5.172,984 1.776,985 6.084,986 5.975,987 4.71,988 5.198,989 1.038,990 6.901,991 4.641,992 6.351,993 1.675,994 7.64,995 4.917,996 4.205,997 4.89,998 0.325,999 7.789,1000 4.097,1001 7.645,1002 1.354,1003 9.295,1004 4.655,1005 6.304,1006 7.368,1007 0.607,1008 10.91,1009 6.174,1010 8.976,1011 1.328,1012 11.013,1013 3.482,1014 6.686,1015 8.004,1016 0.268,1017 12.677,1018 6.524,1019 10.347,1020 1.129,1021 12.771,1022 2.936,1023 8.196,1024 9.891,1025 0.359,1026 15.291,1027 8.016,1028 11.744,1029 1,1030 14.557,1031 2.565,1032 8.985,1033 10.97,1034 0.188,1035 17.414,1036 8.782,1037 13.163,1038 0.904,1039 16.364,1040 2.275,1041 10.263,1042 12.619,1043 0.214,1044 19.863,1045 10.044,1046 3.184,1047 0.821,1048 18.187,1049 2.162,1050 11.241,1051 13.912,1052 0.125,1053 22.131,1054 11.005,1055 3.118,1056 10.951,1057 20.022,1058 2.052,1059 12.428,1060 15.461,1061 0.129,1062 24.525,1063 12.177,1064 2.753,1065 10.431,1066 21.867,1067 4.518,1068 13.493,1069 16.856,1070 0.082,1071 26.854,1072 13.227,1073 2.644,1074 8.884,1075 23.72,1076 3.913,1077 14.646,1078 18.366,1079 0.079,1080 29.231,1081 14.365,1082 2.273,1083 7.512,1084 25.58,1085 3.731,1086 15.751,1087 19.81,1088 0.054,1089 31.586,1090 15.456,1091 2.073,1092 6.818,1093 27.445,1094 2.813,1095 16.893,1096 21.307,1097 0.048,1098 33.959,1099 16.584,1100 2.006,1101 6.082,1102 29.314,1103 2.708,1104 18.017,1105 22.776,1106 0.035,1107 36.325,1108 17.693,1109 19468,1110 28926,1111 27.334,1112 43.387,1113 59.341,1114 58.749,1115 59.288,1116 58.824,1117 58.809,1118 74.377,1119 2.915,1120 169.782,1121 56.727,1122 5.568,1123 5.478,1124 6.407,1125 5.224,1126 5.184,1127 7.518,1128 1.457,1129 17.863,1130 5.124,1131 8.022,1132 1.522,1133 1.506,1134 1.52,1135 1.508,1136 1.508,1137 1.907,1138 0.075,1139 4.353,1140 1.455,1141 4.156,1142 4.194,1143 4.115,1144 4.064,1145 6.449,1146 4.072,1147 4.033,1148 4.067,1149 3.966,1150 3.961,1151 5.135,1152 3.958,1153 3.856,1154 3.922,1155 3.79,1156 3.703,1157 4.927,1158 3.702,1159 3.822,1160 3.894,1161 3.729,1162 3.585,1163 4.74,1164 3.622,1165 3.548,1166 3.616,1167 3.412,1168 3.395,1169 4.383,1170 3.393,1171 3.449,1172 3.5,1173 3.322,1174 3.311,1175 4.257,1176 3.307,1177 3.287,1178 3.354,1179 3.177,1180 3.123,1181 4.081,1182 3.127,1183 3.111,1184 3.206,1185 2.96,1186 2.941,1187 3.889,1188 2.91,1189 0.117,1190 0.089,1191 0.172,1192 0.107,1193 0.082,1194 4.568,1195 0.116,1196 3.478,1197 0.021,1198 6.726,1199 0.281,1200 4.165,1201 0.08,1202 3.184,1203 4.518,1204 0.8,1205 10.951,1206 3.124,1207 1.961,1208 1.936,1209 2.072,1210 2.062,1211 1.43,1212 2.068,1213 1.907,1214 1.878,1215 2.032,1216 2.04,1217 1.278,1218 2.04,1219 1.839,1220 1.78,1221 2,1222 1.959,1223 1.168,1224 1.975,1225 1.669,1226 1.614,1227 1.877,1228 1.841,1229 1.126,1230 1.856,1231 1.538,1232 1.489,1233 1.746,1234 1.743,1235 1.084,1236 1.744,1237 1.406,1238 1.335,1239 1.587,1240 1.66,1241 0.825,1242 1.641,1243 1.321,1244 1.256,1245 1.513,1246 1.523,1247 0.759,1248 1.527,1249 1.153,1250 1.064,1251 1.488,1252 1.442,1253 0.584,1254 1.429,1255 4.369,1257 5.7,1258 3.434,1259 7.217,1260 5.778,1261 8.819,1262 7.854,1263 10.467,1270 10.563,1271 8.62,1272 3.768,1275 0.251,1276 2.592,1280 40.692,1281 95.038,1282 243.084,1283 323.504,1284 353.42,1285 362.93,1286 364.93,1287 47.961,1288 8.77,1289 82,1290 82,1291 33,1292 12.859,1293 4.459,1294 3.524,1295 45.605,1296 189,1297 145,1298 0.116,1299 243.819,1300 408.93,1301 586.678,1302 105742,1304 22.907,1305 0.674,1306 0.571,1307 22.907,1308 19.398,1309 16.742,1310 0.429,1311 0.319,1312 12.295,1313 16.201,1314 12.091,1315 9.923,1316 16.742,1317 12.437,1318 15.018,1319 0.273,1320 0.177,1321 15.018,1322 9.747,1323 13.351,1324 0.176,1325 0.1,1326 13.351,1327 7.595,1328 11.479,1329 0.113,1330 0.056,1331 11.479,1332 5.713,1333 9.052,1334 0.074,1335 0.033,1336 9.052,1337 4.058,1338 0.19,1339 104.081,1340 0.191,1341 32.298,1342 0.294,1343 188,1344 429.396,1345 201.261,1346 424.485,1347 600.02,1348 402,1349 225,1350 458.326,1351 239.843,1352 465.844,1353 682.8,1354 441,1355 7.432} {0 CHEMBL143947,1 1.428,2 15.059,3 3.146,4 9.898,5 138.038,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.304,13 3.787,14 4.874,15 5.07,16 4.137,17 4.253,18 5.777,19 4.184,20 5.179,21 5.423,22 4.141,23 4.415,24 6.002,25 4.292,26 5.276,27 5.545,28 4.105,29 4.452,30 6.045,31 4.302,32 5.304,33 5.581,34 4.091,35 4.442,36 6.066,37 4.284,38 5.292,39 5.569,40 4.04,41 4.405,42 6.069,43 4.246,44 5.246,45 5.537,46 3.919,47 4.316,48 5.989,49 4.136,50 5.112,51 5.426,52 3.705,53 4.148,54 5.767,55 3.962,56 0.103,57 1.046,58 15.933,59 6.109,60 15.156,61 8.832,62 0.264,63 1.705,64 29.151,65 10.29,66 25.159,67 15.286,68 0.397,69 2.068,70 40.578,71 14.227,72 42.849,73 21.288,74 0.378,75 2.194,76 44.961,77 15.968,78 44.216,79 23.995,80 0.371,81 2.174,82 46.488,83 16.869,84 46.512,85 25.053,86 0.437,87 2.132,88 46.276,89 16.073,90 49.092,91 24.01,92 0.474,93 2.013,94 44.386,95 15.259,96 49.522,97 23.14,98 0.401,99 1.747,100 39.116,101 12.559,102 34.933,103 19.739,104 6,105 52,106 0.224,107 0.573,108 0.768,109 0.834,110 0.853,111 0.853,112 3.56,113 0.974,114 -4.79,115 -4.7,116 -4.41,119 39.7,120 1,121 4,125 3,127 3,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 7,178 12,182 3,185 1,186 7,189 9,193 6,195 1,197 5,199 9,203 6,206 1,208 5,211 12,215 5,218 1,220 2,222 8,226 6,229 3,231 1,233 4,236 1,237 5,242 3,244 3,249 1,254 2,256 6,259 2082,260 23.499,261 23.499,262 23.499,263 23.499,264 23.499,265 21.085,266 29.569,267 14.075,268 23.943,269 18.797,270 18.797,271 18.797,272 18.797,273 18.797,274 15.249,275 40.89,276 6.701,277 19.53,278 4.66,279 2.441,280 1.195,281 0.78,282 0.658,283 0.658,284 4.27,289 1,290 1135,291 3.742,294 187.823,295 357.042,298 160.853,302 2.294,303 19.47,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 512,316 4.568,317 3.292,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.145,326 3.196,327 6.423,328 3.954,329 2.983,330 3.731,331 0.657,332 9.843,333 2.895,334 4.129,335 2.895,336 6.095,337 3.69,338 2.753,339 3.573,341 8.884,342 2.578,343 3.65,344 2.863,345 5.48,346 3.565,347 2.615,348 2.813,350 7.347,351 2.487,352 3.437,353 2.394,354 5.151,355 3.157,356 2.201,357 2.698,359 6.375,360 2.101,361 3.38,362 2.243,363 5.111,364 3.034,365 2.059,366 2.593,368 5.995,369 2.004,370 3.249,371 2.178,372 4.898,373 2.972,374 2.006,375 2.508,377 5.302,378 1.925,379 3.115,380 1.795,381 4.514,382 2.73,383 1.776,384 2.136,386 4.655,387 1.69,388 2.769,389 1.59,390 4.134,391 2.398,392 1.417,393 1.85,395 3.482,396 1.385,397 2.742,398 1.37,399 3.719,400 2.314,401 1.329,402 1.844,404 3.062,405 1.308,406 2.5,407 1.175,408 3.486,409 2.095,410 1.131,411 1.5,413 2.558,414 1.087,415 2.428,416 1.077,417 3.414,418 2,419 1,420 1.403,422 2.275,423 1,424 2.262,425 1,426 3.353,427 1.984,428 1,429 1.205,431 2.136,432 0.983,433 2.118,434 0.99,435 3.299,436 1.865,437 0.902,438 1,440 2.115,441 0.867,442 2.004,443 0.904,444 3.247,445 1.694,446 0.749,447 0.927,449 1.878,450 0.704,451 16.233,452 0.477,453 0.674,454 0.02,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 33.645,462 0.99,463 37.167,464 0.547,465 28.552,466 0.84,467 7.65,468 0.225,469 9.02,470 0.265,471 0.051,473 0.296,479 0.963,480 1.363,481 0.898,482 1.12,483 0.92,484 1.022,485 1.07,486 1.152,487 1.021,488 1.057,489 0.811,490 1.032,491 1.069,492 1.052,493 1.062,494 1.043,495 0.995,496 1.053,497 0.863,498 0.997,499 1.016,500 1.051,501 0.736,502 1.048,503 0.839,504 1.002,505 0.933,506 1.045,507 0.962,508 1.012,509 1.086,510 0.984,511 1.013,512 1.021,513 1.242,514 1.019,515 0.846,516 1.001,517 0.974,518 1.023,519 0.988,520 1.022,521 0.853,522 0.816,523 0.956,524 0.856,525 0.61,526 0.898,527 5.5,528 0.095,529 3.556,530 1.569,531 1.517,532 1.021,533 0.566,534 0.36,535 0.233,536 0.168,537 20618,538 45784,539 2.163,540 50,541 2,542 17,543 1,544 2,545 3,547 5,548 4,550 1.753,551 2.082,552 3.83,553 0.782,559 97.082,560 1.428,561 3.646,562 4.892,563 5.308,564 5.429,565 5.429,566 3.248,567 4.396,568 5.063,569 4.062,570 2278.78,571 8.835,572 37584.2,577 413.947,578 1.166,579 5.043,580 0.145,581 0.004,582 0.068,583 0.031,584 0.032,585 0.022,586 0.013,587 0.01,588 0.008,589 0.006,590 0.339,591 0.17,592 0.88,593 0.54,594 187.18,595 0.02,596 -0.108,597 0.064,598 -0.012,599 -0.017,600 0.02,601 -0.047,602 0.014,603 -0.043,604 -0.019,605 0.006,606 -0.029,607 -0.07,608 -0.024,609 -0.083,610 -0.03,611 -0.016,612 -0.054,613 -0.03,614 -0.016,615 -0.047,616 -0.049,617 0.029,618 -0.048,619 0.035,620 -0.072,621 0.038,622 -0.037,623 0.037,624 -0.005,625 -0.048,626 -0.051,627 -0.026,628 -0.032,629 -0.068,630 -0.03,631 0.078,632 -0.086,633 0.008,634 -0.047,635 -0.028,636 -0.035,637 -0.035,638 0.105,639 0.029,640 0.08,641 -0.027,642 0.068,643 1.748,644 4.318,645 0.765,646 40.426,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.97,654 4.248,655 4.5,656 4.673,657 4.727,658 4.86,659 4.99,660 5.011,661 5.024,662 8.957,663 0.606,664 458.67,665 3.664,666 5.198,667 6.047,668 6.915,669 7.779,670 8.65,671 9.52,672 10.394,673 11.266,674 12.142,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 7,745 16,746 11,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,780 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,823 1,827 34,832 1,833 7,834 1,837 3,838 1,844 1,847 1.5,848 1,854 16.333,855 11.917,856 7.472,857 4.286,858 3.48,859 1.422,860 0.972,861 7.287,862 11.736,863 3.902,864 4.466,865 5.048,866 5.627,867 6.059,868 6.38,869 6.821,870 7.228,871 7.401,872 7.613,873 0.9,874 50,875 12.597,877 5.34,878 7.495,879 24.914,881 21.096,883 1.995,884 67.833,888 364.904,889 141.22,890 73.146,892 42.683,895 141.22,896 407.588,897 73.146,898 8.825,899 16.455,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 214.366,908 42.683,911 258.964,912 105.94,913 42.683,915 82.337,916 98.702,917 33.326,919 364.904,920 115.829,921 141.22,924 364.904,925 30.3,926 115.943,927 34.796,928 76.009,929 364.904,930 115.829,931 141.22,933 0.576,934 0.337,935 0.184,936 0.096,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.721,944 309.415,945 0.077,946 26,947 160.974,951 23.097,952 10.727,953 5.542,954 2.448,955 97.144,956 22.337,957 7.835,958 3.413,961 3.606,962 1.939,963 77.48,964 621.953,965 48.5,975 67.309,976 77.012,977 0.235,978 0.599,979 0.804,980 0.872,981 0.892,982 0.892,983 5.131,984 1.776,985 6.009,986 5.302,987 4.654,988 5.153,989 1.038,990 6.792,991 4.581,992 6.301,993 1.417,994 7.546,995 4.655,996 4.111,997 4.783,998 0.325,999 7.639,1000 3.992,1001 7.581,1002 1.329,1003 9.185,1004 3.482,1005 6.217,1006 7.301,1007 0.607,1008 10.733,1009 6.075,1010 8.899,1011 1.131,1012 10.886,1013 3.062,1014 6.553,1015 7.885,1016 0.268,1017 12.45,1018 6.368,1019 10.255,1020 1,1021 12.629,1022 2.558,1023 8.066,1024 9.802,1025 0.359,1026 15.03,1027 7.864,1028 11.638,1029 1,1030 14.4,1031 2.275,1032 8.805,1033 10.849,1034 0.188,1035 17.094,1036 8.569,1037 13.043,1038 0.902,1039 16.191,1040 2.136,1041 10.077,1042 12.517,1043 0.214,1044 19.501,1045 9.824,1046 3.118,1047 0.749,1048 17.998,1049 2.115,1050 11.009,1051 13.796,1052 0.125,1053 21.71,1054 10.729,1055 2.983,1056 10.431,1057 19.815,1058 1.878,1059 12.18,1060 15.358,1061 0.129,1062 24.057,1063 11.883,1064 2.753,1065 9.843,1066 21.642,1067 4.518,1068 13.205,1069 16.751,1070 0.082,1071 26.327,1072 12.886,1073 2.615,1074 8.884,1075 23.476,1076 3.731,1077 14.336,1078 18.271,1079 0.079,1080 28.654,1081 14,1082 2.201,1083 7.347,1084 25.315,1085 3.573,1086 15.405,1087 19.719,1088 0.054,1089 30.952,1090 15.05,1091 2.059,1092 6.375,1093 27.159,1094 2.813,1095 16.521,1096 21.224,1097 0.048,1098 33.274,1099 16.15,1100 2.006,1101 5.995,1102 29.007,1103 2.698,1104 17.613,1105 22.7,1106 0.035,1107 35.585,1108 17.225,1109 18956,1110 28440,1111 26.235,1112 44.148,1113 57.255,1114 56.539,1115 57.062,1116 56.606,1117 56.604,1118 71.98,1119 2.915,1120 158.579,1121 54.503,1122 5.568,1123 5.292,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 11.406,1132 1.507,1133 1.488,1134 1.502,1135 1.49,1136 1.49,1137 1.894,1138 0.077,1139 4.173,1140 1.434,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.45,1146 4.07,1147 3.965,1148 4.011,1149 3.885,1150 3.881,1151 5.135,1152 3.876,1153 3.847,1154 3.912,1155 3.79,1156 3.702,1157 4.927,1158 3.7,1159 3.819,1160 3.886,1161 3.724,1162 3.586,1163 4.754,1164 3.623,1165 3.582,1166 3.644,1167 3.449,1168 3.414,1169 4.387,1170 3.415,1171 3.503,1172 3.565,1173 3.352,1174 3.354,1175 4.258,1176 3.346,1177 3.288,1178 3.356,1179 3.177,1180 3.122,1181 4.089,1182 3.127,1183 3.114,1184 3.213,1185 2.95,1186 2.941,1187 3.896,1188 2.91,1189 0.12,1190 0.087,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.292,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.086,1210 2.073,1211 1.432,1212 2.081,1213 1.937,1214 1.904,1215 2.045,1216 2.049,1217 1.283,1218 2.047,1219 1.831,1220 1.772,1221 2.011,1222 1.983,1223 1.211,1224 1.997,1225 1.664,1226 1.609,1227 1.874,1228 1.831,1229 1.114,1230 1.848,1231 1.532,1232 1.476,1233 1.787,1234 1.74,1235 0.922,1236 1.755,1237 1.407,1238 1.335,1239 1.59,1240 1.663,1241 0.825,1242 1.644,1243 1.323,1244 1.257,1245 1.513,1246 1.531,1247 0.761,1248 1.534,1249 1.153,1250 1.064,1251 1.49,1252 1.442,1253 0.583,1254 1.429,1255 4.344,1257 5.652,1258 3.045,1259 7.148,1260 5.283,1261 8.727,1262 7.286,1263 10.351,1265 1.875,1270 10.318,1271 7.749,1272 3.716,1275 0.019,1276 2.579,1280 41.218,1281 97.082,1282 247.945,1283 332.663,1284 360.928,1285 369.193,1286 369.193,1287 51.529,1288 8.256,1289 82,1290 82,1291 28,1292 12.682,1293 4.459,1294 3.524,1295 50.45,1296 189,1297 150,1298 0.128,1299 251.212,1300 421.29,1301 604.718,1302 54754,1304 23.33,1305 0.686,1306 0.581,1307 23.33,1308 19.769,1309 16.67,1310 0.439,1311 0.325,1312 12.194,1313 16.12,1314 11.936,1315 9.874,1316 16.67,1317 12.336,1318 14.738,1319 0.283,1320 0.181,1321 14.738,1322 9.428,1323 12.54,1324 0.182,1325 0.102,1326 12.54,1327 7.032,1328 10.476,1329 0.118,1330 0.057,1331 10.476,1332 5.113,1333 8.154,1334 0.077,1335 0.034,1336 8.154,1337 3.636,1338 0.211,1339 103.646,1340 0.195,1341 32.306,1342 0.327,1343 180,1344 419.396,1345 193.261,1346 414.873,1347 581.59,1348 392,1349 211,1350 440.326,1351 225.511,1352 447.945,1353 650.58,1354 423,1355 9.023} {0 CHEMBL143951,1 1.406,2 10.958,3 1.264,4 1.598,5 98.27,6 6.76,7 0.556,8 3.973,9 4.126,10 3.474,11 3.465,12 4.966,13 3.435,14 4.541,15 4.749,16 3.804,17 3.904,18 5.416,19 3.838,20 4.815,21 5.073,22 3.736,23 4.045,24 5.585,25 3.911,26 4.885,27 5.172,28 3.618,29 4.02,30 5.615,31 3.848,32 4.802,33 5.113,34 3.497,35 3.868,36 5.461,37 3.692,38 4.592,39 4.877,40 3.474,41 3.733,42 5.338,43 3.6,44 4.525,45 4.795,46 3.453,47 3.688,48 5.327,49 3.559,50 4.515,51 4.804,52 3.26,53 3.619,54 5.271,55 3.466,56 0.081,57 0.778,58 11.395,59 3.961,60 11.114,61 6.082,62 0.212,63 1.239,64 20.917,65 6.893,66 15.336,67 10.716,68 0.225,69 1.427,70 28.035,71 9.564,72 22.346,73 14.858,74 0.259,75 1.414,76 30.476,77 10.488,78 28.542,79 16.258,80 0.245,81 1.239,82 28.39,83 9.44,84 23.37,85 14.864,86 0.222,87 1.083,88 22.83,89 7.181,90 19.421,91 11.484,92 0.21,93 1.042,94 21.177,95 6.804,96 20.41,97 10.771,98 0.248,99 0.979,100 21.312,101 6.352,102 21.72,103 10.3,104 2,105 37,106 0.239,107 0.607,108 0.765,109 0.811,110 0.831,111 0.831,112 3.228,113 0.969,114 -3.84,115 -3.8,116 -3.61,119 37.5,121 4,125 3,127 1,140 3,141 2,142 1,149 1,150 1,158 2,161 1,162 1,163 1,164 1,169 5,171 2,172 5,176 5,178 6,180 2,182 3,186 3,189 5,193 6,194 1,195 1,197 1,199 5,203 6,206 1,211 4,215 4,218 1,220 1,222 3,224 1,226 3,229 2,231 1,233 2,235 1,236 1,237 3,242 3,244 2,246 1,254 1,256 2,258 1,259 852,260 16.654,261 16.654,262 16.654,263 16.654,264 16.654,265 14.966,266 21.222,267 9.941,268 17.014,269 13.352,270 13.352,271 13.352,272 13.352,273 13.352,274 10.814,275 24.941,276 4.749,277 13.944,278 4.179,279 2.024,280 1.094,281 0.823,282 0.708,283 0.708,284 3.93,288 1,289 1,290 585,291 2.55,294 115.611,295 141.574,298 96.355,302 1.632,303 11.493,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 51,315 263,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.896,327 6.095,328 3.69,329 2.753,330 3.731,332 8.884,333 2.578,334 3.62,335 2.864,336 5.413,337 3.563,338 2.617,339 2.813,341 7.156,342 2.478,343 3.429,344 2.309,345 5.129,346 3.095,347 2.134,348 2.621,350 6.013,351 2.052,352 3.25,353 2.173,354 4.887,355 2.975,356 2.008,357 2.585,359 5.684,360 1.93,361 3.104,362 1.794,363 4.514,364 2.73,365 1.775,366 2.109,368 4.655,369 1.69,370 2.741,371 1.367,372 4.133,373 2.311,374 1.326,375 1.845,377 3.48,378 1.305,379 2.426,380 1.159,381 3.462,382 2.086,383 1.122,384 1.4,386 2.52,387 1.079,388 2.254,389 1.077,390 3.414,391 1.984,392 1,393 1.195,395 2.275,396 0.983,397 2.118,398 0.932,399 3.314,400 1.86,401 0.895,402 1,404 2.094,405 0.861,406 2,407 0.669,408 3.171,409 1.56,410 0.618,411 0.927,413 1.458,414 0.575,415 1.982,416 0.618,417 3,418 1.518,419 0.602,420 0.819,422 1.372,423 0.556,424 1.194,425 0.231,426 2.673,427 1.057,428 0.092,429 0.099,431 0.212,432 0.089,433 0.855,434 -0.184,435 2.435,436 0.597,437 -0.368,438 -0.407,440 -0.853,441 -0.354,442 0.659,443 -0.564,444 2.114,445 0.298,446 -0.67,447 -0.846,449 -1.699,450 -0.645,451 11.4,452 0.475,453 0.465,454 0.019,455 28.25,456 1.177,457 12,458 0.5,459 16.25,460 0.677,461 20.543,462 0.856,463 26.4,464 0.55,465 17.463,466 0.728,467 5.288,468 0.22,469 6.505,470 0.271,471 0.035,473 0.289,479 0.989,480 1.428,481 0.888,482 1.142,483 0.961,484 1.024,485 1.103,486 1.112,487 1.004,488 1.024,489 0.761,490 1.005,491 0.957,492 1.042,493 1.053,494 1.084,495 0.892,496 1.081,497 0.749,498 0.977,499 0.991,500 1.077,501 0.797,502 1.066,503 0.64,504 0.898,505 0.809,506 0.923,507 0.56,508 0.892,509 0.914,510 0.954,511 0.898,512 0.922,513 0.792,514 0.91,515 0.841,516 1.089,517 0.962,518 1.078,519 0.878,520 1.042,521 1.193,522 0.892,523 1.116,524 0.964,525 1.245,526 1.02,527 4,528 0.091,529 2.667,530 0.882,531 0.806,532 0.583,533 0.364,534 0.162,535 0.127,536 0.138,537 7353,538 15736,539 2.187,540 50,541 2,542 10,543 1,544 2,545 3,547 2,548 4,550 1.664,551 2.118,552 3.421,553 0.998,554 1,555 1,559 67.471,560 1.406,561 3.561,562 4.491,563 4.762,564 4.877,565 4.877,566 2.907,567 4.168,568 4.556,569 3.579,570 987.698,571 7.838,572 11898.5,574 1,577 268.078,578 1.099,579 4.546,580 0.148,581 0.006,582 0.072,583 0.027,584 0.029,585 0.023,586 0.015,587 0.007,588 0.007,589 0.008,590 0.341,591 0.33,592 1,593 0.382,594 115.682,595 0.051,596 -0.13,597 0.074,598 -0.028,599 0.061,600 0.017,601 -0.042,602 0.062,603 -0.031,604 0.023,605 0.045,606 0.001,607 -0.119,608 -0.025,609 -0.097,610 -0.05,611 -0.04,612 -0.068,613 0.011,614 -0.048,615 -0.037,616 -0.061,617 0.016,618 -0.056,619 0.118,620 -0.034,621 0.154,622 0.066,623 0.119,624 0.108,625 0.017,627 0.079,628 0.06,629 0.043,630 0.074,631 0.096,632 -0.101,633 0.011,634 -0.083,635 0.016,636 -0.052,637 -0.146,638 0.072,639 -0.129,640 -0.013,641 -0.242,642 -0.06,643 0.925,644 1.978,645 0.833,646 22.083,647 0.991,648 1.14,649 2.609,650 6.805,651 0.643,652 3.332,653 3.638,654 3.912,655 4.159,656 4.317,657 4.394,658 4.511,659 4.635,660 4.682,661 4.718,662 6.423,663 0.601,664 324.48,665 3.332,666 4.86,667 5.707,668 6.572,669 7.435,670 8.306,671 9.177,672 10.051,673 10.927,674 11.805,675 12.5,676 1,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 48,716 15,717 1,718 27,720 51,721 18,722 10,723 3,724 3,730 4,731 5,740 3,743 5,745 10,746 8,760 1,761 1,764 24,765 4,766 3,767 6,773 6,777 0.75,788 1,792 2,793 2,796 1,812 1,815 1,819 3,827 24,828 1,833 7,837 1,838 1,844 1,854 11.333,855 8.217,856 5.25,857 3.025,858 2.787,859 1.38,860 1.016,861 4.54,862 10.126,863 3.57,864 4.151,865 4.762,866 5.369,867 5.796,868 6.229,869 6.699,870 7.138,871 7.332,872 7.554,873 1,874 33,875 8.862,877 3.741,878 7.458,879 17.624,881 14.952,883 1.958,884 47,888 247.193,889 81.828,890 88.032,895 81.828,896 247.193,897 88.032,899 49.352,900 37.476,901 74.105,902 30.324,903 13.915,904 211.88,906 247.193,907 169.86,911 176.567,912 70.627,915 88.399,916 48.136,917 33.326,919 247.193,920 88.032,921 81.828,924 247.193,925 27.115,926 59.737,927 16.786,928 66.223,929 247.193,930 88.032,931 81.828,933 0.577,934 0.335,935 0.179,936 0.091,937 19,938 7,939 0.098,940 5,941 1,942 1.1,943 3.826,944 193.049,945 0.1,946 20,947 102.039,951 15.67,952 6.954,953 3.5,954 2.479,955 69.348,956 12.031,957 7.772,958 3.384,961 2.479,962 1.938,963 49.683,964 417.053,965 34.5,975 47.563,976 54.727,977 0.252,978 0.638,979 0.804,980 0.853,981 0.873,982 0.873,983 4.794,984 1.122,985 5.666,986 3.48,987 4.317,988 4.836,989 0.673,990 6.441,991 4.237,992 5.968,993 1,994 7.197,995 2.52,996 3.761,997 4.543,998 0.325,999 7.261,1000 3.636,1001 7.255,1002 0.895,1003 8.827,1004 2.275,1005 5.872,1006 7.033,1007 0.379,1008 10.35,1009 5.717,1010 8.583,1011 0.618,1012 10.518,1013 2.094,1014 6.196,1015 7.716,1016 0.268,1017 12.053,1018 6.002,1019 9.951,1020 0.602,1021 12.25,1022 1.458,1023 7.709,1024 9.598,1025 0.239,1026 14.63,1027 7.492,1028 11.347,1029 0.092,1030 14.012,1031 1.372,1032 8.441,1033 10.728,1034 0.188,1035 16.694,1036 8.196,1037 12.765,1038 -0.368,1039 15.794,1040 0.212,1041 9.713,1042 12.375,1043 0.156,1044 19.104,1045 9.448,1046 3.118,1047 -0.67,1048 17.593,1049 -0.853,1050 10.642,1051 13.711,1052 0.125,1053 21.32,1054 10.357,1055 2.753,1056 10.431,1057 19.404,1058 -1.699,1059 11.814,1060 15.265,1061 0.102,1062 23.674,1063 11.512,1064 2.617,1065 8.884,1066 21.226,1067 4.518,1068 12.839,1069 16.692,1070 0.082,1071 25.955,1072 12.523,1073 2.134,1074 7.156,1075 23.056,1076 3.731,1077 13.972,1078 18.211,1079 0.066,1080 28.292,1081 13.642,1082 2.008,1083 6.013,1084 24.892,1085 2.813,1086 15.045,1087 19.679,1088 0.054,1089 30.602,1090 14.702,1091 1.775,1092 5.684,1093 26.734,1094 2.621,1095 16.165,1096 21.187,1097 0.043,1098 32.936,1099 15.81,1100 1.326,1101 4.655,1102 28.581,1103 2.585,1104 17.262,1105 22.674,1106 0.035,1107 35.26,1108 16.895,1109 6839,1110 10176,1111 18.781,1112 30.887,1113 40.576,1114 39.995,1115 40.421,1116 40.112,1117 40.119,1118 51.326,1119 1.6,1120 112.467,1121 38.474,1122 5.568,1123 5.196,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 6.624,1132 1.503,1133 1.481,1134 1.497,1135 1.486,1136 1.486,1137 1.901,1138 0.059,1139 4.165,1140 1.425,1141 4.152,1142 4.19,1143 4.112,1144 4.061,1145 5.135,1146 4.068,1147 3.874,1148 3.945,1149 3.79,1150 3.709,1151 5.003,1152 3.709,1153 3.825,1154 3.9,1155 3.741,1156 3.585,1157 4.926,1158 3.623,1159 3.537,1160 3.609,1161 3.387,1162 3.385,1163 4.28,1164 3.381,1165 3.295,1166 3.365,1167 3.188,1168 3.126,1169 4.228,1170 3.132,1171 3.111,1172 3.215,1173 2.944,1174 2.941,1175 3.893,1176 2.91,1177 3.106,1178 3.206,1179 2.866,1180 2.847,1181 3.677,1182 2.859,1183 2.906,1184 2.986,1185 2.752,1186 2.74,1187 3.474,1188 2.734,1189 0.169,1190 0.118,1191 0.243,1192 0.152,1193 0.115,1194 4.568,1195 0.167,1196 3.196,1197 0.03,1198 6.566,1199 0.386,1200 4.099,1201 0.113,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.067,1210 2.058,1211 1.41,1212 2.063,1213 1.842,1214 1.777,1215 2.027,1216 2.031,1217 1.27,1218 2.034,1219 1.662,1220 1.606,1221 1.874,1222 1.831,1223 1.115,1224 1.849,1225 1.409,1226 1.337,1227 1.593,1228 1.669,1229 0.825,1230 1.648,1231 1.33,1232 1.264,1233 1.513,1234 1.547,1235 0.755,1236 1.544,1237 1.153,1238 1.064,1239 1.492,1240 1.442,1241 0.581,1242 1.429,1243 1.078,1244 0.982,1245 1.348,1246 1.376,1247 0.497,1248 1.379,1249 1.03,1250 0.926,1251 1.219,1252 1.348,1253 0.284,1254 1.361,1255 4.007,1257 5.313,1258 3.045,1259 6.804,1260 5.283,1261 8.379,1262 7.286,1263 10.002,1269 5.978,1271 7.988,1275 0.408,1276 2.542,1280 28.87,1281 67.471,1282 170.946,1283 215.549,1284 228.568,1285 234.078,1286 234.078,1287 28.302,1288 7.34,1289 75.76,1290 75.76,1291 22,1292 12.343,1293 4,1294 3.087,1295 34.054,1296 91,1297 98,1298 0.179,1299 177.06,1300 287.98,1301 423.787,1302 15903,1304 16.355,1305 0.681,1306 0.577,1307 16.355,1308 13.857,1309 11.793,1310 0.437,1311 0.323,1312 8.608,1313 11.343,1314 8.46,1315 6.989,1316 11.793,1317 8.724,1318 10.436,1319 0.282,1320 0.181,1321 10.436,1322 6.696,1323 8.992,1324 0.184,1325 0.102,1326 8.992,1327 5.021,1328 7.382,1329 0.117,1330 0.056,1331 7.382,1332 3.538,1333 5.624,1334 0.076,1335 0.034,1336 5.624,1337 2.484,1338 0.285,1339 73.687,1340 0.231,1341 23.799,1342 0.476,1343 128,1344 298.226,1345 138.13,1346 296.52,1347 418.5,1348 280,1349 150,1350 322.997,1351 161.296,1352 328.197,1353 475.31,1354 309,1355 7.921} {0 CHEMBL143952,1 1.612,2 15.735,3 3.425,4 11.733,5 136.281,6 7.479,7 0.553,8 4.26,9 4.384,10 3.964,11 3.819,12 5.25,13 3.772,14 4.836,15 5.013,16 4.245,17 4.244,18 5.951,19 4.169,20 5.115,21 5.342,22 4.227,23 4.396,24 6.017,25 4.262,26 5.219,27 5.47,28 4.156,29 4.373,30 6.138,31 4.221,32 5.175,33 5.449,34 4.062,35 4.28,36 6.04,37 4.122,38 5.054,39 5.306,40 3.993,41 4.202,42 5.958,43 4.072,44 4.999,45 5.244,46 3.945,47 4.176,48 5.915,49 4.043,50 4.992,51 5.266,52 3.8,53 4.15,54 5.736,55 3.977,56 0.11,57 1.029,58 16.749,59 6.068,60 18.156,61 7.913,62 0.42,63 1.661,64 28.374,65 10.362,66 58.283,67 13.941,68 0.272,69 1.993,70 41.991,71 15.124,72 45.714,73 20.141,74 0.439,75 2.065,76 47.473,77 15.939,78 75.376,79 21.553,80 0.503,81 1.933,82 48.231,83 15.45,84 68.327,85 20.927,86 0.479,87 1.74,88 41.284,89 13.161,90 65.843,91 17.917,92 0.482,93 1.686,94 34.545,95 12.107,96 59.678,97 17.156,98 0.315,99 1.677,100 36.523,101 12.534,102 38.107,103 17.984,104 5,105 53,106 0.255,107 0.572,108 0.733,109 0.819,110 0.839,111 0.839,112 3.56,113 1.049,114 -4.57,115 -4.49,116 -4.23,119 39.1,121 4,122 1,125 4,140 8,141 2,142 2,149 1,150 1,158 2,164 1,169 11,171 3,172 5,174 2,176 4,178 10,182 8,186 7,189 7,193 12,197 3,199 5,203 12,206 2,208 1,211 7,215 4,218 1,222 10,225 2,226 3,229 2,231 1,233 8,236 1,237 5,242 3,244 5,249 4,254 2,256 3,259 2142,260 23.316,261 23.316,262 23.316,263 23.316,264 23.316,265 20.615,266 22.516,267 13.847,268 23.819,269 18.781,270 18.781,271 18.781,272 18.781,273 18.781,274 14.698,275 18.755,276 6.586,277 19.621,278 4.388,279 2.38,280 1.36,281 0.817,282 0.688,283 0.688,284 4.268,289 1,290 1188,291 3.873,294 188.621,295 360.979,298 161.629,302 2.488,303 29.659,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 73,315 535,316 4.843,317 4.683,318 7.293,319 4.291,320 3.374,321 4.694,322 0.8,323 12.405,324 3.065,325 4.568,326 3.196,327 6.566,328 4.099,329 3.118,330 4.518,332 10.431,333 3.062,334 4.129,335 2.897,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.58,343 3.658,344 2.865,345 5.494,346 3.61,347 2.65,348 3.054,350 7.389,351 2.551,352 3.552,353 2.377,354 5.158,355 3.181,356 2.224,357 2.813,359 6.395,360 2.12,361 3.432,362 2.18,363 5.115,364 3.027,365 2.035,366 2.65,368 5.994,369 2.02,370 3.253,371 2.026,372 4.895,373 2.987,374 2.004,375 2.589,377 5.34,378 1.957,379 3.19,380 1.795,381 4.514,382 2.73,383 1.776,384 2.202,386 4.655,387 1.69,388 2.742,389 1.442,390 4.134,391 2.319,392 1.334,393 1.847,395 3.482,396 1.313,397 2.702,398 1.36,399 3.681,400 2.212,401 1.228,402 1.775,404 2.807,405 1.203,406 2.5,407 1.164,408 3.477,409 2.096,410 1.129,411 1.5,413 2.551,414 1.089,415 2.429,416 1.077,417 3.414,418 2,419 1,420 1.404,422 2.275,423 1,424 2.265,425 1,426 3.324,427 1.984,428 1,429 1.208,431 2.136,432 0.983,433 2.118,434 0.952,435 3.25,436 1.866,437 0.901,438 1,440 2.107,441 0.867,442 2.006,443 0.852,444 3.247,445 1.646,446 0.694,447 0.927,449 1.648,450 0.659,451 16.4,452 0.482,453 0.762,454 0.022,455 43.25,456 1.272,457 21,458 0.618,459 22.25,460 0.654,461 30.719,462 0.904,463 37,464 0.578,465 31.396,466 0.923,467 8.043,468 0.237,469 8.54,470 0.251,471 0.041,472 0.051,473 0.232,479 0.595,480 1.399,481 0.837,482 1.23,483 0.613,484 0.999,485 0.756,486 1.056,487 0.944,488 0.985,489 0.514,490 1,491 0.86,492 1.104,493 1.09,494 1.153,495 0.722,496 1.091,497 1.139,498 1.045,499 1.066,500 1.057,501 1.17,502 1.063,503 1.025,504 0.888,505 1.044,506 0.978,507 1.061,508 0.921,509 1.253,510 0.943,511 1.069,512 0.986,513 1.413,514 0.96,515 0.955,516 0.994,517 0.88,518 0.929,519 1.12,520 1.068,521 0.656,522 0.971,523 0.976,524 1.019,525 0.438,526 1.086,527 6.5,528 0.115,529 4.222,530 1.569,531 1.254,532 1.111,533 0.527,534 0.28,535 0.233,536 0.221,537 21346,538 55058,539 2.156,540 46.9,541 2,542 16,543 1,544 2,545 2,547 7,550 1.751,551 2.071,552 3.898,553 0.206,559 103.187,560 1.612,561 3.62,562 4.64,563 5.183,564 5.313,565 5.313,566 3.363,567 4.455,568 5.062,569 4.127,570 2315.02,571 8.825,572 38706.3,577 384,578 1.263,579 5.037,580 0.171,581 0.004,582 0.08,583 0.031,584 0.029,585 0.027,586 0.013,587 0.007,588 0.007,589 0.008,590 0.378,591 0.17,592 0.75,593 0.39,594 188.196,595 0.14,596 -0.151,597 0.205,598 -0.075,599 -0.074,600 0.015,601 0.184,602 0.088,603 -0.015,604 0.018,605 0.272,606 -0.031,607 -0.054,608 -0.093,609 -0.068,610 -0.092,611 0.05,612 -0.072,613 -0.113,614 -0.1,615 -0.064,616 -0.061,617 -0.051,618 -0.07,619 -0.024,620 0.034,621 0.023,622 0.036,623 -0.017,624 0.078,625 -0.122,626 -0.004,627 -0.059,628 0.004,629 -0.131,630 0.025,631 0.024,632 -0.045,633 -0.06,634 -0.041,635 -0.1,636 -0.096,637 -0.02,638 -0.019,639 -0.077,640 -0.076,641 -0.022,642 -0.084,643 4.34,644 5.442,645 0.765,646 42.471,647 0.999,648 1.13,649 3.337,650 11.136,651 0.668,652 3.664,653 3.989,654 4.248,655 4.466,656 4.635,657 4.691,658 4.812,659 4.92,660 4.984,661 5.024,662 9.282,663 0.626,664 478.68,665 3.664,666 5.209,667 6.057,668 6.929,669 7.79,670 8.665,671 9.532,672 10.409,673 11.28,674 12.158,675 9.4,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 23,717 2,718 38,720 68,721 25,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 4,745 16,746 9,747 1,750 2,753 1,755 2,764 30,765 6,766 2,767 9,768 1,773 6,777 0.8,778 2,788 1,792 2,793 3,796 1,815 1,819 4,821 1,827 34,830 1,833 8,834 1,837 1,838 1,844 1,847 3.1,850 2,854 16.417,855 11.05,856 7.375,857 3.955,858 3.516,859 1.426,860 1.018,861 7,862 11.772,863 3.942,864 4.554,865 5.104,866 5.657,867 6.087,868 6.407,869 6.843,870 7.199,871 7.392,872 7.611,873 1,874 50,875 12.796,877 5.675,878 7.664,879 24.683,881 21.097,883 2.164,884 73.583,888 329.591,889 138.673,890 71.54,892 44.313,894 5.807,895 132.866,896 373.904,897 71.54,899 18.561,900 107.07,901 118.418,902 31.875,903 13.915,904 294.278,906 329.591,907 204.406,908 44.313,909 5.807,911 247.193,912 126.711,915 74.012,916 97.068,917 39.133,919 329.591,920 115.853,921 138.673,923 5.807,924 329.591,925 30.771,926 107.118,927 33.191,928 77.639,929 329.591,930 115.853,931 138.673,933 0.582,934 0.338,935 0.175,936 0.089,937 26,938 10,939 0.132,940 9,941 1,942 1.077,943 4.758,944 306.756,945 0.077,946 26,947 158.974,950 1,951 23.097,952 10.305,953 5.542,954 2.39,955 97.168,956 20.484,957 7.797,958 3.383,961 2.719,962 1.917,963 33.191,964 584.117,965 50.5,968 -3.423,970 24.885,975 63.945,976 72.311,977 0.269,978 0.603,979 0.773,980 0.864,981 0.885,982 0.885,983 5.178,984 1.776,985 6.047,986 5.34,987 4.673,988 5.242,989 0.673,990 6.866,991 4.587,992 6.388,993 1.334,994 7.614,995 4.655,996 4.29,997 5.19,998 0.325,999 7.991,1000 4.117,1001 7.718,1002 1.228,1003 9.297,1004 3.482,1005 6.312,1006 7.534,1007 0.379,1008 11.017,1009 6.118,1010 9.095,1011 1.129,1012 11.054,1013 2.807,1014 6.815,1015 8.404,1016 0.268,1017 13.022,1018 6.514,1019 10.515,1020 1,1021 12.863,1022 2.551,1023 8.287,1024 10.215,1025 0.239,1026 15.633,1027 7.963,1028 11.966,1029 1,1030 14.709,1031 2.275,1032 9.173,1033 11.47,1034 0.188,1035 17.95,1036 8.744,1037 13.44,1038 0.901,1039 16.581,1040 2.136,1041 10.449,1042 13.099,1043 0.156,1044 20.463,1045 9.983,1046 3.374,1047 0.694,1048 18.473,1049 2.107,1050 11.505,1051 14.513,1052 0.125,1053 22.892,1054 10.941,1055 3.118,1056 12.405,1057 20.381,1058 1.648,1059 12.714,1060 16.076,1061 0.102,1062 25.387,1063 12.097,1064 2.753,1065 10.431,1066 22.302,1067 4.694,1068 13.843,1069 17.557,1070 0.082,1071 27.86,1072 13.137,1073 2.65,1074 8.884,1075 24.232,1076 4.518,1077 15.033,1078 19.098,1079 0.066,1080 30.356,1081 14.263,1082 2.224,1083 7.389,1084 26.171,1085 3.731,1086 16.196,1087 20.606,1088 0.054,1089 32.847,1090 15.341,1091 2.035,1092 6.395,1093 28.117,1094 3.054,1095 17.384,1096 22.14,1097 0.043,1098 35.348,1099 16.457,1100 2.004,1101 5.994,1102 30.068,1103 2.813,1104 18.563,1105 23.661,1106 0.035,1107 37.85,1108 17.554,1109 19578,1110 31643,1111 26.118,1112 42.728,1113 57.122,1114 57.26,1115 56.798,1116 56.805,1117 56.805,1118 74.9,1119 1.6,1120 162.479,1121 54.506,1122 5.843,1123 6.683,1124 7.095,1125 5.351,1126 5.374,1127 7.694,1128 1.2,1129 19.564,1130 5.065,1131 11.264,1132 1.503,1133 1.507,1134 1.495,1135 1.495,1136 1.495,1137 1.971,1138 0.042,1139 4.276,1140 1.434,1141 4.157,1142 4.194,1143 4.735,1144 4.078,1145 7.717,1146 4.072,1147 4.07,1148 4.057,1149 4.112,1150 4.043,1151 6.999,1152 3.966,1153 3.873,1154 3.932,1155 3.79,1156 3.736,1157 5.135,1158 3.731,1159 3.825,1160 3.898,1161 3.749,1162 3.589,1163 4.927,1164 3.625,1165 3.64,1166 3.67,1167 3.674,1168 3.539,1169 4.717,1170 3.478,1171 3.524,1172 3.565,1173 3.395,1174 3.39,1175 4.362,1176 3.376,1177 3.298,1178 3.358,1179 3.2,1180 3.14,1181 4.255,1182 3.142,1183 3.141,1184 3.217,1185 2.995,1186 2.941,1187 4.036,1188 2.926,1189 0.127,1190 0.123,1191 0.192,1192 0.113,1193 0.089,1194 4.843,1195 0.124,1196 4.683,1197 0.021,1198 7.293,1199 0.326,1200 4.291,1201 0.081,1202 3.374,1203 4.694,1204 0.8,1205 12.405,1206 3.065,1207 1.964,1208 1.967,1209 2.083,1210 2.07,1211 1.468,1212 2.096,1213 1.959,1214 1.936,1215 2.034,1216 2.048,1217 1.287,1218 2.052,1219 1.859,1220 1.802,1221 1.994,1222 1.998,1223 1.159,1224 2.023,1225 1.674,1226 1.62,1227 1.883,1228 1.838,1229 1.12,1230 1.858,1231 1.487,1232 1.487,1233 1.62,1234 1.696,1235 0.859,1236 1.71,1237 1.404,1238 1.337,1239 1.527,1240 1.643,1241 0.825,1242 1.635,1243 1.323,1244 1.271,1245 1.513,1246 1.51,1247 0.694,1248 1.525,1249 1.153,1250 1.064,1251 1.456,1252 1.442,1253 0.58,1254 1.429,1255 4.344,1257 5.666,1258 3.045,1259 7.175,1260 5.283,1261 8.765,1262 7.286,1263 10.399,1271 7.749,1272 2.794,1275 0.388,1276 2.5,1280 40.067,1281 103.187,1282 231.704,1283 296.98,1284 331.735,1285 340,1286 340,1287 59.676,1288 8.256,1289 95.91,1290 104.29,1291 28,1292 12.696,1293 4.585,1294 3.755,1295 50.537,1296 195,1297 166,1298 0.124,1299 247.155,1300 413.99,1301 594.817,1302 56360,1304 23.382,1305 0.688,1306 0.586,1307 23.632,1308 19.915,1309 16.582,1310 0.436,1311 0.35,1312 11.783,1313 15.209,1314 11.45,1315 9.461,1316 17.404,1317 13.288,1318 15.059,1319 0.284,1320 0.203,1321 16.382,1322 10.733,1323 12.73,1324 0.184,1325 0.118,1326 13.821,1327 8.151,1328 10.237,1329 0.119,1330 0.068,1331 11.12,1332 5.823,1333 7.895,1334 0.077,1335 0.042,1336 8.71,1337 4.266,1338 0.205,1339 111.774,1340 0.196,1341 32.506,1342 0.312,1343 182,1344 485.578,1345 233.678,1346 495.438,1347 681.63,1348 460,1349 213,1350 483.903,1351 272.689,1352 526.503,1353 761.92,1354 494,1355 7.921} {0 CHEMBL143967,1 1.838,2 10.346,3 5.958,4 35.498,5 95.202,6 8.01,7 0.37,8 3.983,9 4.089,10 3.742,11 3.467,12 5.038,13 3.44,14 4.599,15 4.769,16 4.165,17 3.81,18 6.229,19 3.791,20 4.809,21 5.021,22 4.097,23 3.923,24 6.481,25 3.857,26 4.784,27 5.026,28 3.856,29 3.979,30 5.729,31 3.855,32 4.877,33 5.124,34 3.909,35 3.98,36 5.956,37 3.861,38 4.905,39 5.172,40 3.909,41 3.929,42 5.986,43 3.82,44 4.777,45 5.024,46 3.854,47 3.847,48 5.923,49 3.754,50 4.703,51 4.938,52 3.765,53 3.713,54 5.951,55 3.635,56 0.186,57 0.891,58 12.748,59 5.271,60 36.182,61 5.949,62 1.207,63 1.739,64 26.63,65 8.322,66 203.258,67 9.889,68 1.649,69 1.326,70 30.299,71 9.499,72 257.635,73 12.834,74 0.592,75 1.369,76 30.122,77 10.437,78 61.43,79 14.105,80 0.744,81 1.503,82 33.035,83 11.514,84 86.331,85 15.215,86 0.983,87 1.564,88 36.553,89 11.119,90 127.504,91 14.555,92 0.823,93 1.426,94 33.153,95 10.038,96 95.129,97 12.892,98 0.844,99 1.375,100 29.111,101 8.492,102 105.873,103 11.257,104 74,105 39,106 0.315,107 0.601,108 0.758,109 0.794,110 0.794,111 0.794,112 3.304,113 1.102,114 -3.9,115 -3.86,116 -3.66,119 34.7,120 2,121 3,125 3,132 1,140 3,141 2,142 1,149 1,150 1,169 6,171 3,172 5,176 3,178 4,182 5,186 3,189 4,193 6,199 5,203 6,206 2,211 7,215 3,222 5,225 1,226 3,229 2,231 2,233 4,242 2,244 4,248 2,249 2,256 4,259 1068,260 16.681,261 16.681,262 16.681,263 16.681,264 16.681,265 15.251,266 15.582,267 9.801,268 17.362,269 13.244,270 13.244,271 13.244,272 13.244,273 13.244,274 10.924,275 14.601,276 4.477,277 14.47,278 3.776,279 2.109,280 1.194,281 0.985,282 0.985,283 0.985,284 3.959,289 1,290 536,291 4.899,294 65.426,295 74.228,298 116.96,302 1.808,303 47.249,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 60.5,315 269,316 4.999,317 5.697,318 8.104,319 4.515,320 3.69,321 4.702,322 6.006,323 14.439,324 3.104,325 4.547,326 3.799,327 6.547,328 4.072,329 3.09,330 4.496,331 1.914,332 10.363,333 3.017,334 3.697,335 3.162,336 5.549,337 3.422,338 2.496,339 3.094,340 0.8,341 7.329,342 2.314,343 3.497,344 2.806,345 5.345,346 3.28,347 2.371,348 2.688,350 6.948,351 2.16,352 3.334,353 2.473,354 5.118,355 2.935,356 2,357 2.448,359 6.037,360 1.865,361 3.267,362 2.082,363 4.969,364 2.771,365 1.858,366 2.368,368 5.701,369 1.599,370 2.725,371 1.364,372 4.148,373 2.265,374 1.283,375 1.822,377 3.478,378 1.258,379 2.265,380 1.298,381 3.408,382 2.237,383 1.247,384 1.247,386 2.148,387 1.233,388 2.247,389 1.268,390 3.32,391 2.007,392 1.035,393 1.201,395 2.117,396 1.003,397 1.988,398 1.071,399 3.247,400 1.714,401 0.753,402 0.92,404 1.533,405 0.721,406 1.499,407 0.814,408 3.144,409 1.323,410 0.351,411 0.395,413 0.677,414 0.34,415 1.176,416 0.51,417 2.771,418 0.816,419 -0.12,420 -0.148,422 -0.331,423 -0.111,424 1,425 0.51,426 2.555,427 0.521,428 -0.445,429 -0.445,431 -0.632,432 -0.428,433 0.633,434 0.41,435 2.324,436 0.299,437 -0.671,438 -0.752,440 -1.425,441 -0.646,442 0.584,443 0.007,444 2,445 0.14,446 -0.854,447 -1,449 -2.321,450 -0.7,451 11.99,452 0.461,453 0.911,454 0.035,455 28,456 1.077,457 11.5,458 0.442,459 16.5,460 0.635,461 24.838,462 0.955,463 31.81,464 0.649,465 23.6,466 0.908,467 5.214,468 0.201,469 6.961,470 0.268,471 0.21,472 0.111,473 0.2,478 3,479 0.543,480 1.196,481 0.773,482 1.445,483 0.613,484 1.136,485 0.399,486 0.863,487 0.627,488 1.076,489 0.393,490 0.974,491 0.304,492 0.714,493 0.607,494 0.774,495 0.195,496 0.911,497 0.426,498 0.719,499 0.802,500 0.999,501 0.298,502 1.048,503 0.519,504 0.835,505 0.717,506 1.007,507 0.503,508 1.061,509 0.808,510 0.89,511 0.723,512 0.822,513 0.75,514 0.87,515 0.681,516 0.937,517 0.913,518 1.047,519 0.662,520 0.975,521 0.791,522 0.972,523 0.893,524 1.081,525 0.878,526 1.098,527 7.5,528 0.19,529 4,530 1.604,531 1.373,532 0.816,533 0.748,534 0.647,535 0.345,536 0.191,537 7020,538 24344,539 1.892,540 46.9,541 6,542 9,543 1,545 1,547 6,550 1.692,551 1.714,552 3.348,553 -0.218,559 90.082,560 1.838,561 3.506,562 4.42,563 4.63,564 4.63,565 4.63,566 2.735,567 4.133,568 4.67,569 3.555,570 1155.51,571 8.098,572 14746.3,577 275.121,578 1.767,579 4.574,580 0.278,581 0.013,582 0.103,583 0.041,584 0.042,585 0.025,586 0.023,587 0.02,588 0.013,589 0.012,590 0.569,591 0.33,592 1,593 2.056,594 127.948,595 0.031,596 -0.133,597 0.197,598 -0.138,599 -0.099,600 -0.017,601 0.475,602 0.158,603 0.291,604 -0.039,605 0.415,606 0.023,607 0.521,608 0.135,609 0.207,610 0.112,611 0.551,612 0.066,613 0.033,614 -0.023,615 0.032,616 -0.032,617 0.084,618 0.003,619 0.069,620 -0.119,621 0.102,622 -0.085,623 0.068,624 -0.025,625 -0.03,626 -0.068,627 0.157,628 0.078,629 -0.017,630 0.137,631 0.042,632 -0.102,633 0.042,634 -0.064,635 0.025,636 0.041,637 0.031,638 -0.125,639 -0.005,640 -0.168,641 -0.029,642 -0.118,643 6.705,644 4.482,645 0.346,646 25.621,647 1.029,648 1.154,649 2.671,650 7.137,651 0.632,652 3.332,653 3.689,654 3.871,655 3.989,656 4.159,657 4.248,658 4.443,659 4.605,660 4.511,661 4.477,662 6.461,663 0.609,664 392.49,665 3.332,666 4.89,667 5.72,668 6.605,669 7.468,670 8.353,671 9.23,672 10.117,673 11,674 11.89,675 4.1,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 49,716 12,717 1,718 27,720 50,721 17,722 8,723 3,724 3,730 2,731 3,736 2,743 3,745 8,746 9,750 2,753 1,755 2,762 3,764 23,765 7,766 1,767 9,768 1,773 2,777 0.5,778 3,788 1,792 1,793 1,796 1,815 1,819 1,821 1,823 2,825 3,827 26,831 1,833 6,835 1,838 1,839 1,846 3,847 6.1,850 2,852 1,854 15.167,855 9.129,856 5.743,857 3.247,858 2.195,859 1.319,860 0.951,861 6.865,862 9.087,863 3.555,864 4.178,865 4.65,866 5.149,867 5.637,868 6.005,869 6.477,870 6.884,871 6.824,872 6.981,873 0.857,874 39,875 13.16,877 4.9135,878 8.417,879 17.87,881 14.54,883 2.917,884 75.833,888 258.964,889 96.068,890 19.91,892 52.858,893 44.88,894 7.75,895 88.318,896 311.823,897 64.79,898 17.65,899 13.921,900 45.226,901 44.313,902 84.338,903 13.915,904 247.193,905 6.125,906 258.964,907 108.228,908 97.739,909 7.75,911 188.338,912 123.485,913 44.88,914 6.125,915 51.481,916 50.622,917 7.75,919 303.845,920 72.768,921 96.068,923 7.75,924 265.089,925 27.067,926 58.251,927 16.786,928 97.739,929 258.964,930 117.649,931 96.068,933 0.588,934 0.334,935 0.15,936 0.078,937 17,938 9,939 0.18,940 9,941 1,942 1.222,943 3.615,944 205.438,945 0.222,946 9,947 109.457,950 1,951 20.917,952 8.533,953 5.311,954 1.377,955 100.863,956 5.833,958 3.05,961 0.557,963 16.786,964 472.681,965 34,968 -5.674,970 22.356,975 50.403,976 56.546,977 0.327,978 0.624,979 0.787,980 0.825,981 0.825,982 0.825,983 4.824,984 1.247,985 5.796,986 3.478,987 4.369,988 4.864,989 4.166,990 6.703,991 4.207,992 6.088,993 1.035,994 7.445,995 2.148,996 4.369,997 5.139,998 4.964,999 8.184,1000 3.996,1001 7.473,1002 0.753,1003 9.231,1004 2.117,1005 6.155,1006 7.243,1007 7.403,1008 11.209,1009 5.778,1010 8.906,1011 0.351,1012 11.104,1013 1.533,1014 6.948,1015 8.308,1016 8.78,1017 13.494,1018 6.341,1019 10.379,1020 -0.12,1021 13.037,1022 0.677,1023 8.349,1024 10.025,1025 10.87,1026 16.229,1027 7.694,1028 11.881,1029 -0.445,1030 15.011,1031 -0.331,1032 9.449,1033 11.382,1034 12.462,1035 18.773,1036 8.581,1037 13.405,1038 -0.671,1039 17.016,1040 -0.632,1041 10.751,1042 12.978,1043 14.399,1044 21.45,1045 9.783,1046 3.69,1047 -0.854,1048 19.043,1049 -1.425,1050 11.967,1051 14.443,1052 16.093,1053 24.075,1054 10.805,1055 3.09,1056 14.439,1057 21.086,1058 -2.321,1059 13.25,1060 15.999,1061 17.956,1062 26.741,1063 11.953,1064 2.496,1065 10.363,1066 23.142,1067 4.702,1068 14.512,1069 17.504,1070 19.7,1071 29.393,1072 13.032,1073 2.371,1074 7.329,1075 25.206,1076 4.496,1077 15.796,1078 19.045,1079 21.527,1080 32.059,1081 14.161,1082 2,1083 6.948,1084 27.277,1085 3.094,1086 17.077,1087 20.567,1088 23.296,1089 34.722,1090 15.264,1091 1.858,1092 6.037,1093 29.353,1094 2.688,1095 18.366,1096 22.103,1097 25.105,1098 37.389,1099 16.387,1100 1.283,1101 5.701,1102 31.433,1103 2.448,1104 19.657,1105 23.632,1106 26.886,1107 40.055,1108 17.5,1109 7329,1110 14346,1111 16.583,1112 30.972,1113 40.428,1114 41.074,1115 42.245,1116 40.63,1117 40.345,1118 50.762,1119 17.44,1120 121.538,1121 37.229,1122 5.896,1123 7.697,1124 7.906,1125 5.586,1126 5.69,1127 7.702,1128 10.217,1129 22.67,1130 5.104,1131 17.505,1132 1.497,1133 1.521,1134 1.565,1135 1.505,1136 1.494,1137 1.88,1138 0.646,1139 4.501,1140 1.379,1141 4.145,1142 4.169,1143 4.739,1144 4.06,1145 8.518,1146 4.059,1147 3.939,1148 3.872,1149 4.076,1150 3.856,1151 7.999,1152 3.737,1153 3.772,1154 3.846,1155 3.633,1156 3.597,1157 7.999,1158 3.593,1159 3.501,1160 3.586,1161 3.353,1162 3.348,1163 7.707,1164 3.332,1165 3.457,1166 3.512,1167 3.279,1168 3.346,1169 6.999,1170 3.32,1171 3.267,1172 3.347,1173 3.117,1174 3.062,1175 4.978,1176 3.062,1177 3,1178 3.093,1179 3.052,1180 2.807,1181 4.461,1182 2.803,1183 2.904,1184 2.936,1185 2.819,1186 2.655,1187 4.302,1188 2.628,1189 0.185,1190 0.211,1191 0.3,1192 0.167,1193 0.137,1194 4.999,1195 0.174,1196 5.697,1197 0.222,1198 8.104,1199 0.535,1200 4.515,1201 0.115,1202 3.69,1203 4.702,1204 6.006,1205 14.439,1206 3.104,1207 1.942,1208 1.931,1209 2.031,1210 2.034,1211 1.315,1212 2.038,1213 1.761,1214 1.703,1215 1.978,1216 1.964,1217 1.184,1218 1.976,1219 1.594,1220 1.66,1221 1.861,1222 1.793,1223 1.09,1224 1.8,1225 1.576,1226 1.523,1227 1.801,1228 1.764,1229 1.007,1230 1.785,1231 1.539,1232 1.459,1233 1.52,1234 1.738,1235 0.637,1236 1.781,1237 1.244,1238 1.159,1239 1.356,1240 1.5,1241 0.634,1242 1.516,1243 1.008,1244 0.936,1245 1.24,1246 1.273,1247 0.477,1248 1.302,1249 0.852,1250 0.77,1251 1.137,1252 1.066,1253 0.403,1254 1.131,1255 4.007,1257 5.352,1258 2.398,1259 6.88,1260 4.727,1261 8.495,1262 6.823,1263 10.155,1265 4.22,1267 37.447,1271 5.571,1273 4.224,1276 2.327,1277 -5.455,1280 29.846,1281 90.082,1282 171.797,1283 216.591,1284 226.856,1285 226.856,1286 226.856,1287 72.806,1288 6.892,1289 62.4,1290 70.78,1291 11,1292 12.42,1293 3.7,1294 3,1295 54.977,1296 99,1297 99,1298 0.272,1299 187.647,1300 330.67,1301 449.618,1302 8041,1303 6.1,1304 19.372,1305 0.745,1306 0.599,1307 17.122,1308 15.583,1309 12.175,1310 0.451,1311 0.367,1312 8.451,1313 10.781,1314 8.156,1315 6.815,1316 11.852,1317 9.915,1318 11.799,1319 0.303,1320 0.196,1321 11.608,1322 7.634,1323 8.839,1324 0.188,1325 0.106,1326 7.362,1327 4.984,1328 6.208,1329 0.117,1330 0.062,1331 6.572,1332 3.288,1333 4.766,1334 0.076,1335 0.034,1336 4.781,1337 2.142,1338 0.428,1339 86.147,1340 0.246,1341 25.123,1342 0.746,1343 132,1344 612.378,1345 207.606,1346 520.562,1347 667.4,1348 474,1349 152,1350 434.108,1351 224.385,1352 455.907,1353 691.17,1354 423,1355 6.746} {0 CHEMBL144002,1 1.348,2 14.938,3 4.053,4 16.426,5 131.798,6 6.697,7 0.583,8 4.244,9 4.388,10 3.74,11 3.779,12 5.21,13 3.737,14 4.814,15 5.017,16 4.074,17 4.201,18 5.692,19 4.127,20 5.095,21 5.347,22 4.048,23 4.351,24 5.852,25 4.22,26 5.186,27 5.459,28 3.973,29 4.373,30 5.903,31 4.208,32 5.201,33 5.495,34 3.903,35 4.332,36 5.858,37 4.148,38 5.136,39 5.433,40 3.872,41 4.255,42 5.811,43 4.082,44 5.041,45 5.331,46 3.815,47 4.175,48 5.743,49 4.013,50 4.953,51 5.238,52 3.64,53 4.079,54 5.647,55 3.902,56 0.098,57 0.997,58 14.964,59 5.716,60 12.483,61 8.394,62 0.254,63 1.633,64 27.507,65 9.556,66 23.133,67 14.43,68 0.283,69 1.956,70 37.046,71 13.155,72 29.048,73 19.931,74 0.322,75 2.044,76 40.86,77 14.886,78 34.025,79 22.407,80 0.294,81 1.988,82 41.643,83 15.541,84 31.77,85 23.338,86 0.339,87 1.876,88 39.306,89 13.989,90 31.235,91 21.24,92 0.302,93 1.733,94 35.681,95 12.362,96 29.79,97 18.933,98 0.3,99 1.586,100 32.688,101 11.187,102 27.183,103 17.149,104 2,105 49,106 0.214,107 0.565,108 0.766,109 0.836,110 0.857,111 0.857,112 3.502,113 0.979,114 -5.35,115 -5.23,116 -4.89,119 40.6,120 1,121 4,125 3,127 2,140 8,141 3,142 1,146 1,149 1,150 1,158 1,164 1,169 11,171 2,172 5,176 7,178 13,182 5,186 5,189 10,193 6,195 1,197 3,199 11,203 5,206 1,208 1,211 9,215 6,218 2,220 1,222 7,226 5,229 1,231 1,233 4,236 1,237 4,242 3,244 4,248 1,249 1,254 1,256 6,259 1804,260 22.292,261 22.292,262 22.292,263 22.292,264 22.292,265 19.877,266 28.735,267 13.391,268 22.699,269 17.813,270 17.813,271 17.813,272 17.813,273 17.813,274 14.254,275 40.737,276 6.397,277 18.464,278 4.652,279 2.442,280 1.176,281 0.735,282 0.606,283 0.606,284 4.214,289 1,290 1069,291 3.317,294 172.509,295 329.938,298 147.121,302 2.324,303 13.612,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 478,316 4.568,317 3.197,318 6.566,319 4.1,320 3.118,321 4.518,322 0.8,323 10.431,324 3.065,325 4.129,326 3.132,327 6.095,328 3.815,329 2.84,330 3.731,331 0.657,332 8.884,333 2.773,334 4.059,335 2.892,336 6.051,337 3.702,338 2.753,339 3.54,341 8.695,342 2.611,343 3.648,344 2.855,345 5.477,346 3.552,347 2.598,348 2.813,350 7.326,351 2.482,352 3.433,353 2.393,354 5.15,355 3.149,356 2.197,357 2.67,359 6.375,360 2.089,361 3.272,362 2.18,363 5.109,364 2.998,365 2.022,366 2.591,368 5.994,369 1.964,370 3.24,371 1.797,372 4.514,373 2.724,374 1.776,375 2.361,377 4.655,378 1.693,379 3.004,380 1.787,381 4.189,382 2.698,383 1.71,384 2.101,386 3.929,387 1.674,388 2.742,389 1.37,390 4.133,391 2.313,392 1.329,393 1.847,395 3.48,396 1.307,397 2.5,398 1.186,399 3.492,400 2.103,401 1.138,402 1.5,404 2.598,405 1.095,406 2.432,407 1.091,408 3.425,409 2.003,410 1.026,411 1.41,413 2.416,414 1,415 2.342,416 1.077,417 3.414,418 2,419 1,420 1.305,422 2.275,423 1,424 2.235,425 1,426 3.313,427 1.984,428 1,429 1.173,431 2.136,432 0.983,433 2.118,434 0.927,435 3.247,436 1.841,437 0.891,438 1,440 2.091,441 0.844,442 2,443 0.667,444 3.173,445 1.559,446 0.618,447 0.927,449 1.458,450 0.575,451 15.4,452 0.481,453 0.585,454 0.018,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 30.045,462 0.939,463 34.4,464 0.538,465 25.996,466 0.812,467 7.365,468 0.23,469 8.394,470 0.262,471 0.032,473 0.279,479 0.937,480 1.366,481 0.89,482 1.12,483 0.828,484 1.02,485 1.214,486 1.152,487 1.026,488 1.034,489 0.857,490 1.015,491 1.108,492 1.053,493 1.061,494 1.043,495 0.803,496 1.047,497 0.912,498 1.014,499 1.058,500 1.079,501 0.873,502 1.082,503 0.648,504 0.984,505 0.913,506 1.029,507 0.748,508 1.002,509 0.783,510 0.916,511 0.903,512 0.946,513 0.741,514 0.938,515 0.944,516 0.963,517 0.952,518 0.96,519 0.911,520 0.957,521 1.114,522 0.982,523 1.125,524 1.055,525 1.165,526 1.085,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.854,533 0.445,534 0.273,535 0.208,536 0.148,537 18108,538 37780,539 2.194,540 50,541 2,542 16,543 1,544 2,545 2,547 5,548 4,550 1.737,551 2.133,552 3.842,553 0.146,559 86.279,560 1.348,561 3.558,562 4.824,563 5.265,564 5.394,565 5.394,566 3.281,567 4.375,568 4.973,569 4.048,570 2007.58,571 8.651,572 31750.6,574 1,577 384,578 1.043,579 4.964,580 0.139,581 0.004,582 0.068,583 0.029,584 0.029,585 0.022,586 0.012,587 0.008,588 0.007,589 0.006,590 0.324,591 0.17,592 0.88,593 0.313,594 173.336,595 0.115,596 -0.128,597 0.081,598 -0.036,599 0.122,600 0.01,601 -0.016,602 0.002,603 -0.034,604 -0.021,605 0.101,606 -0.028,607 -0.126,608 -0.026,609 -0.082,610 -0.04,611 0.023,612 -0.054,613 -0.04,614 -0.045,615 -0.085,616 -0.079,617 -0.01,618 -0.085,619 0.093,620 -0.077,621 0.053,622 -0.026,623 0.066,624 0.004,625 0.099,626 0.005,627 0.077,628 0.034,629 0.092,630 0.05,631 0.014,632 -0.017,633 0.034,634 0.014,635 -0.001,636 0.024,637 -0.1,638 -0.018,639 -0.137,640 -0.088,641 -0.216,642 -0.111,643 0.919,644 1.329,645 0.813,646 38.758,647 0.986,648 1.131,649 4.115,650 16.936,651 0.655,652 3.611,653 3.912,654 4.19,655 4.431,656 4.595,657 4.654,658 4.796,659 4.905,660 4.956,661 4.997,662 8.772,663 0.609,664 428.64,665 3.611,666 5.142,667 5.989,668 6.851,669 7.711,670 8.578,671 9.444,672 10.313,673 11.183,674 12.055,675 9.4,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 16,746 10,764 32,765 4,766 2,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,823 1,827 32,833 7,834 1,837 2,838 1,844 1,854 15,855 11.383,856 7.028,857 4.108,858 3.531,859 1.432,860 1.007,861 6.562,862 11.699,863 3.861,864 4.431,865 5.022,866 5.598,867 6.028,868 6.35,869 6.794,870 7.2,871 7.396,872 7.611,873 0.9,874 46,875 11.835,877 4.974,878 7.391,879 23.64,881 19.976,883 1.891,884 60.5,888 353.133,889 141.22,890 73.146,895 141.22,896 353.133,897 73.146,898 8.825,899 16.455,900 102.868,901 65.609,902 42.006,903 13.915,904 317.82,906 353.133,907 214.366,911 247.193,912 105.94,915 82.215,916 98.702,917 33.449,919 353.133,920 73.146,921 141.22,924 353.133,925 30.3,926 115.821,927 34.796,928 33.449,929 353.133,930 73.146,931 141.22,933 0.574,934 0.337,935 0.182,936 0.092,937 24,938 9,939 0.118,940 8,941 1,942 1.077,943 4.633,944 283.062,945 0.077,946 26,947 149.245,951 21.234,952 9.888,953 5.081,954 2.471,955 54.584,956 22.657,957 8.316,958 3.419,961 3.811,962 1.813,963 34.796,964 567.499,965 46.5,975 63.098,976 72.387,977 0.225,978 0.593,979 0.804,980 0.878,981 0.899,982 0.899,983 5.083,984 1.71,985 5.943,986 4.655,987 4.595,988 5.118,989 1.038,990 6.713,991 4.528,992 6.252,993 1.329,994 7.47,995 3.929,996 4.007,997 4.732,998 0.325,999 7.516,1000 3.909,1001 7.531,1002 1.138,1003 9.098,1004 3.48,1005 6.146,1006 7.278,1007 0.607,1008 10.608,1009 6.018,1010 8.848,1011 1.026,1012 10.788,1013 2.598,1014 6.447,1015 7.858,1016 0.268,1017 12.284,1018 6.289,1019 10.204,1020 1,1021 12.518,1022 2.416,1023 7.977,1024 9.786,1025 0.359,1026 14.853,1027 7.796,1028 11.587,1029 1,1030 14.276,1031 2.275,1032 8.689,1033 10.834,1034 0.188,1035 16.885,1036 8.484,1037 12.992,1038 0.891,1039 16.055,1040 2.136,1041 9.966,1042 12.506,1043 0.214,1044 19.281,1045 9.742,1046 3.118,1047 0.618,1048 17.848,1049 2.091,1050 10.878,1051 13.786,1052 0.125,1053 21.469,1054 10.634,1055 2.84,1056 10.431,1057 19.653,1058 1.458,1059 12.049,1060 15.35,1061 0.129,1062 23.808,1063 11.787,1064 2.753,1065 8.884,1066 21.466,1067 4.518,1068 13.058,1069 16.743,1070 0.082,1071 26.067,1072 12.779,1073 2.598,1074 8.695,1075 23.287,1076 3.731,1077 14.185,1078 18.265,1079 0.079,1080 28.39,1081 13.891,1082 2.197,1083 7.326,1084 25.114,1085 3.54,1086 15.244,1087 19.714,1088 0.054,1089 30.685,1090 14.934,1091 2.022,1092 6.375,1093 26.947,1094 2.813,1095 16.356,1096 21.22,1097 0.048,1098 33.007,1099 16.032,1100 1.776,1101 5.994,1102 28.783,1103 2.67,1104 17.44,1105 22.696,1106 0.035,1107 35.319,1108 17.102,1109 16512,1110 24076,1111 25.137,1112 41.932,1113 54.067,1114 53.314,1115 53.673,1116 53.457,1117 53.484,1118 68.872,1119 2.915,1120 148.831,1121 51.675,1122 5.568,1123 5.197,1124 6.367,1125 5.161,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.065,1131 7.681,1132 1.502,1133 1.481,1134 1.491,1135 1.485,1136 1.486,1137 1.913,1138 0.081,1139 4.134,1140 1.435,1141 4.153,1142 4.192,1143 4.113,1144 4.06,1145 5.118,1146 4.068,1147 3.956,1148 4.005,1149 3.872,1150 3.875,1151 4.914,1152 3.869,1153 3.845,1154 3.91,1155 3.786,1156 3.701,1157 4.763,1158 3.7,1159 3.815,1160 3.884,1161 3.724,1162 3.569,1163 4.397,1164 3.609,1165 3.553,1166 3.624,1167 3.41,1168 3.397,1169 4.242,1170 3.395,1171 3.41,1172 3.485,1173 3.266,1174 3.255,1175 4.14,1176 3.246,1177 3.28,1178 3.349,1179 3.147,1180 3.125,1181 3.913,1182 3.124,1183 3.111,1184 3.206,1185 2.888,1186 2.941,1187 3.726,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.022,1198 6.566,1199 0.29,1200 4.1,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.065,1207 1.957,1208 1.932,1209 2.087,1210 2.07,1211 1.43,1212 2.08,1213 1.933,1214 1.899,1215 2.043,1216 2.046,1217 1.278,1218 2.043,1219 1.831,1220 1.772,1221 2.01,1222 1.979,1223 1.181,1224 1.995,1225 1.662,1226 1.607,1227 1.872,1228 1.829,1229 1.107,1230 1.847,1231 1.444,1232 1.371,1233 1.715,1234 1.673,1235 0.837,1236 1.679,1237 1.365,1238 1.289,1239 1.58,1240 1.62,1241 0.825,1242 1.613,1243 1.278,1244 1.21,1245 1.513,1246 1.502,1247 0.748,1248 1.498,1249 1.198,1250 1.118,1251 1.428,1252 1.485,1253 0.527,1254 1.454,1255 4.29,1257 5.595,1258 3.045,1259 7.086,1260 5.283,1261 8.66,1262 7.286,1263 10.278,1265 2.275,1271 8.253,1272 3.829,1275 1.03,1276 2.626,1280 38.977,1281 86.279,1282 227.726,1283 308.716,1284 336.98,1285 345.245,1286 345.245,1287 39.873,1288 8.168,1289 61.77,1290 61.77,1291 28,1292 12.597,1293 4.459,1294 3.524,1295 46.18,1296 173,1297 154,1298 0.128,1299 237.624,1300 395.2,1301 571.561,1302 49798,1304 21.753,1305 0.68,1306 0.586,1307 21.753,1308 18.744,1309 15.759,1310 0.438,1311 0.326,1312 11.62,1313 15.283,1314 11.36,1315 9.414,1316 15.759,1317 11.745,1318 13.808,1319 0.282,1320 0.182,1321 13.808,1322 8.902,1323 11.982,1324 0.184,1325 0.104,1326 11.982,1327 6.728,1328 9.941,1329 0.12,1330 0.059,1331 9.941,1332 4.865,1333 7.584,1334 0.077,1335 0.035,1336 7.584,1337 3.391,1338 0.211,1339 97.559,1340 0.199,1341 30.882,1342 0.324,1343 170,1344 377.246,1345 181.49,1346 377.127,1347 536.85,1348 358,1349 199,1350 414.054,1351 211.823,1352 422.21,1353 613.76,1354 399,1355 7.745} {0 CHEMBL144030,1 1.44,2 16.235,3 4.405,4 19.408,5 136.839,6 7.103,7 0.684,8 4.255,9 4.381,10 3.783,11 3.81,12 5.322,13 3.783,14 4.773,15 4.934,16 4.116,17 4.212,18 5.77,19 4.158,20 5.005,21 5.209,22 4.139,23 4.318,24 5.937,25 4.229,26 5.062,27 5.286,28 4.04,29 4.284,30 5.956,31 4.171,32 5.023,33 5.274,34 3.971,35 4.191,36 5.917,37 4.071,38 4.899,39 5.123,40 3.872,41 4.145,42 5.811,43 4.031,44 4.902,45 5.14,46 3.809,47 4.115,48 5.818,49 3.981,50 4.795,51 5.054,52 3.728,53 4.031,54 5.596,55 3.897,56 0.078,57 0.92,58 14.019,59 5.803,60 13.35,61 7.762,62 0.183,63 1.45,64 24.885,65 10.081,66 24.911,67 13.469,68 0.231,69 1.738,70 32.739,71 12.969,72 35.551,73 17.723,74 0.295,75 1.79,76 35.594,77 13.449,78 39.529,79 18.548,80 0.434,81 1.692,82 35.177,83 13.033,84 44.199,85 18.321,86 0.302,87 1.525,88 30.319,89 11.4,90 37.522,91 15.682,92 0.512,93 1.493,94 31,95 11.626,96 49.32,97 16.208,98 0.21,99 1.356,100 27.657,101 10.926,102 27.039,103 15.475,104 13,105 52,106 0.227,107 0.545,108 0.682,109 0.73,110 0.73,111 0.73,112 3.56,113 0.921,114 -3.82,115 -3.78,116 -3.59,119 43.8,121 2,125 4,140 10,141 6,142 2,149 2,150 2,161 2,162 2,163 2,169 14,172 6,176 8,178 14,180 2,182 8,186 8,189 11,191 2,193 6,197 2,199 8,201 2,203 4,206 2,207 2,208 2,210 2,211 14,213 2,220 2,222 18,224 2,225 1,228 2,229 2,231 4,233 18,235 2,242 4,244 12,249 4,254 6,256 6,258 2,259 2080,260 23.773,261 23.773,262 23.773,263 23.773,264 23.773,265 20.79,266 21.864,267 14.261,268 24.157,269 18.727,270 18.727,271 18.727,272 18.727,273 18.727,274 14.107,275 21.566,276 6.645,277 19.353,278 4.56,279 2.543,280 1.675,281 1.375,282 1.375,283 1.375,284 4.273,289 1,290 1222,291 3.606,294 187.288,295 320.697,298 325.332,302 2.574,303 21.569,306 0.75,307 0.5,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.71,314 72,315 552,316 4.55,317 3.196,318 6.546,319 4.076,320 3.092,321 4.504,322 1.151,323 10.36,324 3.043,325 4.55,326 3.191,327 6.546,328 4.076,329 3.092,330 4.504,331 1.151,332 10.36,333 3.042,334 4.045,335 2.979,336 5.517,337 3.658,338 2.673,339 3.64,341 7.458,342 2.636,343 3.736,344 2.867,345 5.35,346 3.369,347 2.429,348 3.141,350 6.97,351 2.281,352 3.696,353 2.611,354 5.285,355 3.291,356 2.338,357 3.119,359 6.774,360 2.223,361 3.457,362 2.402,363 5.127,364 3.116,365 2.126,366 2.757,368 6.246,369 2.102,370 3.344,371 2.15,372 5.093,373 2.935,374 1.965,375 2.673,377 5.909,378 1.895,379 3.332,380 2.128,381 5.049,382 2.918,383 1.947,384 2.659,386 5.888,387 1.881,388 2.745,389 1.421,390 4.157,391 2.304,392 1.327,393 1.849,395 3.515,396 1.296,397 2.742,398 1.396,399 4.156,400 2.303,401 1.323,402 1.846,404 3.507,405 1.295,406 2.5,407 1.357,408 3.414,409 2.035,410 1.093,411 1.5,413 2.275,414 1.025,415 2.345,416 1.225,417 3.394,418 2.023,419 1.076,420 1.31,422 2.24,423 1.016,424 2.335,425 1.123,426 3.347,427 2,428 1,429 1.297,431 2.143,432 1,433 2.075,434 1.028,435 3.272,436 1.801,437 0.876,438 1.017,440 1.885,441 0.802,442 2.008,443 1,444 3.146,445 1.667,446 0.733,447 0.91,449 1.557,450 0.679,451 16.267,452 0.478,453 0.615,454 0.018,455 44.5,456 1.309,457 23,458 0.676,459 21.5,460 0.632,461 27.803,462 0.818,463 35.933,464 0.561,465 33.372,466 0.982,467 8.956,468 0.263,469 7.773,470 0.229,471 0.049,473 0.307,479 1.059,480 1.064,481 0.868,482 0.949,483 1.209,484 0.884,485 1.232,486 1.051,487 0.967,488 1.004,489 1.021,490 0.964,491 1.103,492 1.08,493 0.995,494 1.09,495 0.913,496 1.043,497 1.242,498 1.112,499 1.102,500 1.141,501 0.952,502 1.115,503 0.938,504 0.895,505 0.919,506 0.966,507 0.844,508 0.95,509 1.33,510 0.994,511 1.128,512 1.03,513 1.231,514 1.057,515 1.028,516 0.881,517 1.076,518 0.959,519 0.932,520 1.022,521 0.747,522 0.888,523 0.844,524 0.897,525 0.713,526 0.891,527 6,528 0.191,529 3.556,530 1.458,531 1.689,532 0.917,533 0.351,534 0.54,535 0.288,536 0.09,537 21306,538 48145,539 2.163,540 46.9,542 18,543 2,545 6,547 4,550 1.751,551 2.082,552 3.935,553 3.028,559 92.187,560 1.44,561 3.457,562 4.325,563 4.625,564 4.625,565 4.625,566 3.337,567 3.69,568 5.061,569 4.144,570 2325.05,571 8.822,572 39021.8,574 1,577 384,578 1.166,579 5.043,580 0.158,581 0.007,582 0.068,583 0.029,584 0.038,585 0.022,586 0.009,587 0.015,588 0.008,589 0.003,590 0.359,591 0.17,592 0.88,593 0.871,594 188.467,595 -0.095,596 0.107,597 0.036,598 0.079,599 -0.188,600 0.082,601 -0.119,602 0.023,603 -0.026,604 0.021,605 -0.092,606 0.013,607 -0.058,608 -0.079,609 -0.033,610 -0.076,611 -0.026,612 -0.054,613 -0.098,614 -0.135,615 -0.116,616 -0.146,617 -0.075,618 -0.135,619 0.151,620 0.057,621 0.084,622 0.017,623 0.141,624 0.036,625 -0.173,626 -0.012,627 -0.142,628 -0.035,629 -0.183,630 -0.078,631 0.107,632 0.073,633 -0.082,634 0.037,635 0.051,636 -0.035,637 0.006,638 0.043,639 0.125,640 0.119,641 0.041,642 0.131,643 0.989,644 2.548,645 0.706,646 42.54,647 0.993,648 1.122,649 2.592,650 6.72,651 0.669,652 3.664,653 3.97,654 4.263,655 4.533,656 4.745,657 4.796,658 4.89,659 5.017,660 5.03,661 5.094,662 9.373,663 0.631,664 454.62,665 3.664,666 5.198,667 6.052,668 6.925,669 7.795,670 8.673,671 9.549,672 10.429,673 11.308,674 12.188,675 6.3,676 2,683 2,687 4,688 12,690 2,693 6,695 26,712 2,714 64,716 26,717 3,718 38,720 68,721 28,722 22,723 8,724 10,730 5,731 7,736 2,743 2,745 22,746 6,764 30,765 4,766 6,767 6,773 4,777 0.6,778 2,788 2,792 2,793 3,796 2,812 2,819 3,827 34,828 2,833 6,835 2,847 3.1,852 2,854 16.333,855 11,856 7.611,857 3.736,858 5.076,859 1.595,860 1.04,861 6.973,862 13.613,863 3.951,864 4.595,865 5.244,866 5.87,867 6.39,868 6.67,869 7.029,870 7.416,871 7.477,872 7.773,873 0.909,874 51,875 12.539,877 5.285,878 7.549,879 24.464,881 20.323,883 2.049,884 69.667,888 282.506,889 163.986,890 99.365,892 22,895 163.986,896 304.506,897 99.365,899 84.26,900 112.857,902 83.946,903 27.83,904 258.964,906 282.506,907 263.351,908 22,911 235.422,912 69.084,915 117.831,916 145.521,919 282.506,920 121.365,921 163.986,924 282.506,925 51.129,926 112.857,927 33.571,928 87.794,929 282.506,930 121.365,931 163.986,933 0.569,934 0.337,935 0.19,936 0.107,937 25,938 10,939 0.147,940 10,941 2,942 1.167,943 4.766,944 306.441,945 0.167,946 24,947 134.974,951 22.689,952 10.449,953 5.21,954 4.546,955 87.794,956 24.646,958 6.58,961 6.372,963 99.365,964 567.858,965 51,975 63.549,976 71.81,977 0.24,978 0.576,979 0.721,980 0.771,981 0.771,982 0.771,983 5.168,984 1.947,985 6.014,986 5.909,987 4.654,988 5.283,989 1.84,990 6.804,991 4.593,992 6.375,993 1.327,994 7.552,995 5.888,996 4.111,997 5.094,999 7.644,1000 4.05,1001 7.684,1002 1.323,1003 9.189,1004 3.515,1005 6.225,1006 7.571,1007 2.081,1008 10.735,1009 6.121,1010 9.035,1011 1.093,1012 10.885,1013 3.507,1014 6.553,1015 8.277,1017 12.446,1018 6.449,1019 10.42,1020 1.076,1021 12.62,1022 2.275,1023 8.075,1024 10.178,1025 2.331,1026 15.033,1027 7.94,1028 11.831,1029 1,1030 14.383,1031 2.24,1032 8.813,1033 11.304,1035 17.111,1036 8.676,1037 13.26,1038 0.876,1039 16.168,1040 2.143,1041 10.093,1042 12.971,1043 2.588,1044 19.533,1045 9.934,1046 3.092,1047 0.733,1048 17.969,1049 1.885,1050 11.032,1051 14.299,1053 21.766,1054 10.866,1055 3.092,1056 10.36,1057 19.783,1058 1.557,1059 12.211,1060 15.869,1061 2.851,1062 24.132,1063 12.028,1064 2.673,1065 10.36,1066 21.609,1067 4.504,1068 13.247,1069 17.292,1071 26.428,1072 13.054,1073 2.429,1074 7.458,1075 23.443,1076 4.504,1077 14.387,1078 18.821,1079 3.117,1080 28.775,1081 14.179,1082 2.338,1083 6.97,1084 25.286,1085 3.64,1086 15.468,1087 20.288,1089 31.096,1090 15.248,1091 2.126,1092 6.774,1093 27.135,1094 3.141,1095 16.595,1096 21.801,1097 3.387,1098 33.436,1099 16.36,1100 1.965,1101 6.246,1102 28.989,1103 3.119,1104 17.699,1105 23.287,1107 35.767,1108 17.449,1109 19638,1110 29652,1111 26.235,1112 42.83,1113 56.518,1114 56.813,1115 57.79,1116 56.232,1117 56.29,1118 76.105,1119 4.603,1120 158.733,1121 54.393,1122 5.398,1123 5.196,1124 6.313,1125 5.161,1126 5.092,1127 7.504,1128 2.302,1129 17.015,1130 5.043,1131 12.067,1132 1.487,1133 1.495,1134 1.521,1135 1.48,1136 1.481,1137 2.003,1138 0.121,1139 4.177,1140 1.431,1141 4.151,1142 4.183,1143 4.108,1144 4.064,1145 5.058,1146 4.071,1147 4.112,1148 4.143,1149 4.072,1150 4.027,1151 5.021,1152 4.035,1153 3.926,1154 3.952,1155 3.861,1156 3.866,1157 4.966,1158 3.861,1159 3.576,1160 3.634,1161 3.471,1162 3.428,1163 4.954,1164 3.429,1165 3.557,1166 3.626,1167 3.435,1168 3.417,1169 4.765,1170 3.413,1171 3.412,1172 3.476,1173 3.269,1174 3.195,1175 4.577,1176 3.203,1177 3.35,1178 3.417,1179 3.22,1180 3.119,1181 4.469,1182 3.133,1183 3.201,1184 3.266,1185 3.068,1186 3.045,1187 4.029,1188 3.043,1189 0.12,1190 0.084,1191 0.172,1192 0.107,1193 0.081,1194 4.55,1195 0.119,1196 3.196,1197 0.03,1198 6.546,1199 0.273,1200 4.076,1201 0.08,1202 3.092,1203 4.504,1204 1.151,1205 10.36,1206 3.043,1207 1.958,1208 1.939,1209 2.058,1210 2.053,1211 1.231,1212 2.054,1213 1.935,1214 1.917,1215 2.019,1216 2.022,1217 1.225,1218 2.021,1219 1.897,1220 1.874,1221 1.998,1222 1.969,1223 1.184,1224 1.981,1225 1.649,1226 1.591,1227 1.851,1228 1.846,1229 1.017,1230 1.854,1231 1.648,1232 1.589,1233 1.849,1234 1.845,1235 1.012,1236 1.853,1237 1.334,1238 1.287,1239 1.554,1240 1.605,1241 0.768,1242 1.592,1243 1.286,1244 1.201,1245 1.523,1246 1.574,1247 0.556,1248 1.567,1249 1.252,1250 1.171,1251 1.502,1252 1.487,1253 0.555,1254 1.497,1255 4.344,1257 5.652,1258 3.045,1259 7.152,1260 5.416,1261 8.741,1262 7.516,1263 10.378,1269 11.45,1271 3.977,1273 12.096,1280 40.364,1281 92.187,1282 221.232,1283 276.781,1284 296,1285 296,1286 296,1287 47.591,1288 8.537,1289 102.08,1290 102.08,1291 28,1292 12.724,1293 4.755,1294 3.807,1295 50.568,1296 199,1297 169,1298 0.123,1299 245.357,1300 409.2,1301 590.432,1302 79756,1304 23.33,1305 0.686,1306 0.563,1307 23.33,1308 19.142,1309 16.729,1310 0.44,1311 0.307,1312 11.538,1313 16.242,1314 11.297,1315 9.358,1316 16.729,1317 11.668,1318 14.5,1319 0.279,1320 0.164,1321 14.5,1322 8.514,1323 12.592,1324 0.18,1325 0.088,1326 12.592,1327 6.139,1328 10.609,1329 0.115,1330 0.047,1331 10.609,1332 4.284,1333 8.713,1334 0.076,1335 0.025,1336 8.713,1337 2.907,1338 0.204,1339 103.806,1340 0.195,1341 32.507,1342 0.309,1343 180,1344 444.761,1345 191.915,1346 436.443,1347 615.3,1348 414,1349 212,1350 463.698,1351 224.305,1352 474.049,1353 694.72,1354 448,1355 9.959} {0 CHEMBL144128,1 1.459,2 17.833,3 2.983,4 8.898,5 145.772,6 6.631,7 0.5,8 4.393,9 4.536,10 3.863,11 3.87,12 5.373,13 3.841,14 4.965,15 5.165,16 4.187,17 4.284,18 5.858,19 4.225,20 5.223,21 5.463,22 4.204,23 4.435,24 6.039,25 4.326,26 5.27,27 5.518,28 4.119,29 4.443,30 6.035,31 4.296,32 5.32,33 5.608,34 4.045,35 4.315,36 6.096,37 4.166,38 5.144,39 5.412,40 3.925,41 4.198,42 5.939,43 4.073,44 5.009,45 5.247,46 3.9,47 4.212,48 5.831,49 4.072,50 5.128,51 5.405,52 3.834,53 4.214,54 5.83,55 4.047,56 0.092,57 1.114,58 17.946,59 6.477,60 12.234,61 9.56,62 0.312,63 1.762,64 32.951,65 10.753,66 27.557,67 16.196,68 0.57,69 2.066,70 43.212,71 14.617,72 40.955,73 21.679,74 0.282,75 2.112,76 44.485,77 16.24,78 32.33,79 24.053,80 0.632,81 1.986,82 48.552,83 15.335,84 54.83,85 23.275,86 0.675,87 1.722,88 41.061,89 12.182,90 48.097,91 18.542,92 0.36,93 1.672,94 34.39,95 12.254,96 37.065,97 18.278,98 0.413,99 1.744,100 39.309,101 13.424,102 35.167,103 20.211,104 13,105 54,106 0.226,107 0.52,108 0.653,109 0.723,110 0.723,111 0.723,112 3.615,113 0.978,114 -2.14,115 -2.19,116 -2.17,119 37.8,121 2,125 10,140 6,141 4,142 2,149 2,150 2,161 2,162 2,163 2,169 8,172 4,176 8,178 8,180 2,181 3,182 4,186 8,189 8,191 2,193 2,197 2,199 4,201 2,203 6,206 2,207 2,208 2,210 2,211 2,213 2,214 2,215 4,220 2,224 2,226 2,228 2,229 2,231 2,235 2,237 6,240 2,248 1,249 4,259 2556,260 25.187,261 25.187,262 25.187,263 25.187,264 25.187,265 22.928,266 26.128,267 15.234,268 25.848,269 19.727,270 19.727,271 19.727,272 19.727,273 19.727,274 16.195,275 28.657,276 7.1,277 20.767,278 4.75,279 2.852,280 1.993,281 1.541,282 1.541,283 1.541,284 4.327,289 1,290 1416,291 3.873,294 207.048,295 356.89,298 360.514,302 2.87,303 23.597,306 0.75,307 0.5,308 0.67,309 0.9,310 0.5,311 0.67,312 0.5,313 0.64,314 77,315 642,316 4.55,317 3.188,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 4.55,326 3.187,327 6.546,328 4.076,329 3.092,330 4.504,331 0.86,332 10.36,333 3.042,334 3.728,335 2.996,336 5.494,337 3.582,338 2.662,339 3.13,340 0.8,341 7.397,342 2.446,343 3.717,344 2.798,345 5.321,346 3.337,347 2.402,348 3.129,349 0.8,350 6.877,351 2.246,352 3.641,353 2.75,354 5.313,355 3.314,356 2.373,357 2.68,359 6.853,360 2.234,361 3.349,362 2.541,363 5.129,364 3.112,365 2.191,366 2.675,368 6.361,369 2.014,370 3.345,371 2.165,372 5.096,373 2.941,374 1.972,375 2.648,377 5.914,378 1.901,379 3.208,380 2.16,381 5.09,382 2.933,383 1.966,384 2.216,386 5.911,387 1.89,388 2.748,389 1.595,390 4.158,391 2.313,392 1.347,393 1.852,395 3.529,396 1.301,397 2.745,398 1.52,399 4.158,400 2.306,401 1.331,402 1.849,404 3.522,405 1.297,406 2.389,407 1.387,408 3.531,409 2.194,410 1.251,411 1.373,413 2.72,414 1.168,415 2.354,416 1.383,417 3.43,418 2.072,419 1.148,420 1.323,422 2.457,423 1.055,424 2.245,425 1.147,426 3.414,427 1.996,428 1.042,429 1.215,431 2.275,432 0.991,433 2.141,434 1.146,435 3.316,436 1.967,437 1,438 1.114,440 2.064,441 0.965,442 2,443 1.137,444 3.29,445 1.941,446 1,447 1,449 2.017,450 0.934,451 17.067,452 0.474,453 0.615,454 0.017,455 41,456 1.139,457 17,458 0.472,459 24,460 0.667,461 34.84,462 0.968,463 40.533,464 0.548,465 30.461,466 0.846,467 8.185,468 0.227,469 9.544,470 0.265,471 0.047,473 0.281,479 1.075,480 1.409,481 0.931,482 1.161,483 1.164,484 1.037,485 1.39,486 1.12,487 1.052,488 1.002,489 1.008,490 0.979,491 1.193,492 0.912,493 1.053,494 0.957,495 0.942,496 0.987,497 0.82,498 1.237,499 1.05,500 1.288,501 0.741,502 1.215,503 1.111,504 0.944,505 0.919,506 0.97,507 0.925,508 0.938,509 1.68,510 0.838,511 1.103,512 0.818,513 1.367,514 0.892,515 0.868,516 1.216,517 1.132,518 1.255,519 0.844,520 1.237,521 0.95,522 1.04,523 1.02,524 1.071,525 0.884,526 1.068,527 6,528 0.088,529 3.556,530 1.708,531 1.369,532 1.028,533 0.514,534 0.217,535 0.372,536 0.224,537 26148,538 56012,539 2.154,540 51.4,542 26,543 2,545 6,547 4,550 1.764,551 2.077,552 4.06,553 3.013,559 107.963,560 1.459,561 3.357,562 4.216,563 4.669,564 4.669,565 4.669,566 3.461,567 3.795,568 5.144,569 4.288,570 2701.18,571 8.98,572 48974.6,577 459.5,578 1.135,579 5.128,580 0.15,581 0.003,582 0.066,583 0.032,584 0.03,585 0.025,586 0.014,587 0.006,588 0.011,589 0.006,590 0.342,591 0.17,592 0.63,593 0.839,594 205.053,595 -0.067,596 -0.104,597 0.059,598 -0.017,599 -0.106,600 0.034,601 -0.179,602 0.048,603 -0.039,604 0.045,605 -0.064,606 0.03,607 -0.048,608 0.131,609 -0.053,610 0.064,611 -0.036,612 0.013,613 -0.002,614 -0.233,615 -0.093,616 -0.233,618 -0.182,619 0.095,620 -0.048,621 0.087,622 -0.018,623 0.104,624 0.024,625 -0.156,626 0.104,627 -0.062,628 0.124,629 -0.171,630 0.05,631 0.027,632 -0.175,633 -0.164,634 -0.204,635 0.02,636 -0.211,637 -0.016,638 -0.098,639 -0.046,640 -0.073,641 -0.089,642 -0.071,643 0.852,644 2.579,645 0.667,646 49.111,647 0.992,648 1.136,649 0.915,650 0.837,651 0.637,652 3.714,653 4.007,654 4.29,655 4.554,656 4.745,657 4.796,658 4.875,659 4.934,660 4.934,661 5.017,662 10.335,663 0.594,664 490.72,665 3.714,666 5.242,667 6.089,668 6.956,669 7.82,670 8.692,671 9.563,672 10.438,673 11.312,674 12.189,675 8.1,676 2,678 2,683 2,687 4,688 8,690 2,693 4,695 20,712 2,714 74,716 20,717 2,718 40,720 78,721 28,722 16,723 6,724 6,730 5,731 7,736 2,743 2,745 16,746 12,764 38,765 6,766 6,767 8,773 6,777 0.6,778 2,788 2,792 2,793 3,796 2,812 2,815 2,819 3,827 36,828 2,833 12,835 2,838 2,847 2.7,852 2,854 17.333,855 12.567,856 8.111,857 4.531,858 3.827,859 1.446,860 1.013,861 8.586,862 12.417,863 3.932,864 4.516,865 5.137,866 5.754,867 6.239,868 6.548,869 6.892,870 7.198,871 6.997,872 7.054,873 0.917,874 53,875 13.335,877 5.571,878 7.481,879 26.4,881 21.998,883 1.981,884 71.333,888 376.675,889 132.344,890 105.614,892 22,895 132.344,896 398.675,897 105.614,899 96.894,900 74.952,902 83.823,903 27.83,904 353.133,906 376.675,907 237.958,908 22,911 329.591,912 69.084,915 136.714,916 101.245,919 376.675,920 127.614,921 132.344,924 376.675,925 57.392,926 81.201,927 33.571,928 87.794,929 376.675,930 127.614,931 132.344,933 0.565,934 0.333,935 0.188,936 0.104,937 25,938 10,939 0.154,940 12,941 2,942 1.167,943 5.006,944 322.907,945 0.167,946 24,947 146.117,951 25.268,952 12.233,953 6.312,954 4.676,955 94.043,956 16.591,958 6.62,961 4.34,963 99.365,964 636.633,965 50,975 73.403,976 84.052,977 0.235,978 0.541,979 0.679,980 0.752,981 0.752,982 0.752,983 5.159,984 1.966,985 6.043,986 5.914,987 4.691,988 5.204,989 1.771,990 6.821,991 4.598,992 6.332,993 1.347,994 7.573,995 5.911,996 4.111,997 4.997,998 0.57,999 7.644,1000 3.992,1001 7.627,1002 1.331,1003 9.203,1004 3.529,1005 6.248,1006 7.44,1007 1.413,1008 10.739,1009 6.085,1010 8.963,1011 1.251,1012 10.894,1013 3.522,1014 6.553,1015 8.18,1016 0.479,1017 12.446,1018 6.382,1019 10.339,1020 1.148,1021 12.626,1022 2.72,1023 8.087,1024 10.055,1025 1.15,1026 15.032,1027 7.88,1028 11.744,1029 1.042,1030 14.387,1031 2.457,1032 8.813,1033 11.224,1034 0.346,1035 17.11,1036 8.609,1037 13.171,1038 1,1039 16.17,1040 2.275,1041 10.098,1042 12.879,1043 0.93,1044 19.531,1045 9.867,1046 3.092,1047 1,1048 17.97,1049 2.064,1050 11.031,1051 14.24,1052 0.237,1053 21.765,1054 10.803,1055 3.092,1056 10.36,1057 19.783,1058 2.017,1059 12.212,1060 15.806,1061 0.742,1062 24.131,1063 11.966,1064 2.662,1065 10.36,1066 21.609,1067 4.504,1068 13.244,1069 17.25,1070 0.158,1071 26.427,1072 12.998,1073 2.402,1074 7.397,1075 23.443,1076 4.504,1077 14.385,1078 18.78,1079 0.583,1080 28.774,1081 14.125,1082 2.373,1083 6.877,1084 25.285,1085 3.13,1086 15.465,1087 20.259,1088 0.104,1089 31.095,1090 15.2,1091 2.191,1092 6.853,1093 27.134,1094 3.129,1095 16.592,1096 21.774,1097 0.452,1098 33.436,1099 16.315,1100 1.972,1101 6.361,1102 28.988,1103 2.68,1104 17.695,1105 23.268,1106 0.068,1107 35.767,1108 17.41,1109 24114,1110 35416,1111 27.622,1112 47.126,1113 58.831,1114 59.158,1115 60.245,1116 58.697,1117 58.672,1118 74.124,1119 6.64,1120 163.391,1121 55.826,1122 5.55,1123 5.188,1124 6.313,1125 5.17,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 12.629,1132 1.471,1133 1.479,1134 1.506,1135 1.467,1136 1.467,1137 1.853,1138 0.166,1139 4.085,1140 1.396,1141 4.149,1142 4.182,1143 4.105,1144 4.061,1145 5.055,1146 4.068,1147 4.112,1148 4.143,1149 4.072,1150 4.027,1151 5.021,1152 4.035,1153 3.862,1154 3.938,1155 3.746,1156 3.657,1157 4.961,1158 3.668,1159 3.604,1160 3.658,1161 3.495,1162 3.437,1163 4.954,1164 3.44,1165 3.568,1166 3.632,1167 3.452,1168 3.422,1169 4.597,1170 3.42,1171 3.488,1172 3.572,1173 3.327,1174 3.285,1175 4.581,1176 3.286,1177 3.4,1178 3.47,1179 3.251,1180 3.161,1181 4.34,1182 3.172,1183 3.295,1184 3.372,1185 3.161,1186 3.085,1187 4.056,1188 3.092,1189 0.114,1190 0.08,1191 0.164,1192 0.102,1193 0.077,1194 4.55,1195 0.113,1196 3.188,1197 0.022,1198 6.546,1199 0.259,1200 4.076,1201 0.076,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.033,1210 2.053,1211 1.339,1212 2.049,1213 1.936,1214 1.918,1215 2.021,1216 2.025,1217 1.226,1218 2.024,1219 1.796,1220 1.724,1221 1.994,1222 1.999,1223 1.224,1224 2.001,1225 1.649,1226 1.591,1227 1.853,1228 1.846,1229 1.054,1230 1.854,1231 1.648,1232 1.59,1233 1.851,1234 1.846,1235 1.018,1236 1.853,1237 1.479,1238 1.412,1239 1.737,1240 1.729,1241 0.996,1242 1.733,1243 1.322,1244 1.255,1245 1.604,1246 1.603,1247 0.88,1248 1.598,1249 1.278,1250 1.189,1251 1.52,1252 1.56,1253 0.825,1254 1.558,1255 4.394,1257 5.694,1258 3.045,1259 7.183,1260 5.416,1261 8.763,1262 7.516,1263 10.393,1269 11.476,1271 10.519,1273 12.158,1276 4.954,1280 43.987,1281 107.963,1282 248.441,1283 311.99,1284 345.5,1285 345.5,1286 345.5,1287 53.23,1288 8.59,1289 108.56,1290 108.56,1291 28,1292 12.727,1293 4.392,1294 3.459,1295 55.164,1296 232,1297 193,1298 0.113,1299 267.728,1300 450.02,1301 645.017,1302 90666,1304 24.744,1305 0.687,1306 0.582,1307 24.744,1308 20.97,1309 17.729,1310 0.443,1311 0.326,1312 12.843,1313 17.019,1314 12.625,1315 10.368,1316 17.729,1317 13.037,1318 15.207,1319 0.282,1320 0.176,1321 15.207,1322 9.5,1323 13.076,1324 0.182,1325 0.099,1326 13.076,1327 7.123,1328 11.056,1329 0.118,1330 0.054,1331 11.056,1332 5.041,1333 8.856,1334 0.078,1335 0.03,1336 8.856,1337 3.39,1338 0.19,1339 111.031,1340 0.19,1341 34.381,1342 0.28,1343 188,1344 458.052,1345 204.078,1346 440.791,1347 618.6,1348 420,1349 220,1350 461.923,1351 236.802,1352 465.801,1353 685.28,1354 442,1355 9.456} {0 CHEMBL144397,1 1.574,2 18.811,3 1.496,4 2.237,5 142.475,6 7.136,7 0.5,8 4.354,9 4.489,10 3.863,11 3.824,12 5.452,13 3.814,14 4.886,15 5.063,16 4.182,17 4.211,18 5.946,19 4.168,20 5.136,21 5.358,22 4.203,23 4.314,24 6.188,25 4.236,26 5.13,27 5.356,28 4.122,29 4.303,30 6.095,31 4.206,32 5.149,33 5.395,34 4.097,35 4.209,36 6.176,37 4.116,38 5.076,39 5.309,40 3.985,41 4.099,42 6.16,43 4.024,44 4.972,45 5.208,46 3.905,47 4.037,48 6.027,49 3.948,50 4.925,51 5.173,52 3.897,53 3.985,54 6.034,55 3.89,56 0.099,57 1.055,58 15.789,59 6.015,60 15.34,61 8.377,62 0.353,63 1.603,64 28.77,65 10.259,66 39.231,67 14.483,68 0.801,69 1.833,70 39.507,71 12.791,72 85.715,73 18.497,74 0.449,75 1.836,76 38.631,77 13.142,78 54.495,79 18.955,80 0.591,81 1.744,82 40.732,83 12.809,84 72.728,85 18.82,86 0.772,87 1.575,88 38.689,89 10.782,90 90.672,91 15.726,92 0.695,93 1.454,94 34.379,95 10.169,96 67.045,97 14.947,98 0.571,99 1.378,100 32.676,101 10.477,102 81.168,103 15.345,104 25,105 53,106 0.245,107 0.579,108 0.721,109 0.76,110 0.76,111 0.76,112 3.641,113 0.935,114 -1.53,115 -1.61,116 -1.65,119 38,121 3,125 6,140 6,141 4,142 2,149 2,150 2,156 2,161 2,162 2,163 2,169 8,172 4,174 2,176 10,178 8,180 2,181 2,182 4,184 2,186 8,189 8,191 2,193 4,196 1,197 2,199 4,201 2,203 8,206 2,207 2,208 6,210 2,211 2,213 2,215 4,218 2,220 6,224 2,226 2,228 2,229 4,231 4,233 4,235 2,236 1,237 2,240 2,241 2,242 2,244 4,248 2,254 4,256 2,259 2892,260 25.447,261 25.447,262 25.447,263 25.447,264 25.447,265 22.878,266 25.223,267 15.546,268 25.901,269 19.71,270 19.71,271 19.71,272 19.71,273 19.71,274 15.574,275 24.291,276 7.276,277 20.404,278 4.576,279 2.431,280 1.514,281 1.268,282 1.268,283 1.268,284 4.338,290 1502,291 4.796,294 222.755,295 248.012,298 388.951,302 2.82,303 39.71,306 0.5,307 0.33,308 0.5,309 0.8,310 0.5,311 0.33,313 0.42,314 81,315 696,316 4.55,317 3.608,318 6.546,319 4.076,320 3.092,321 4.504,322 2.03,323 10.36,324 3.043,325 4.55,326 3.605,327 6.546,328 4.076,329 3.092,330 4.504,331 2.03,332 10.36,333 3.043,334 3.764,335 3.18,336 5.34,337 3.438,338 2.477,339 3.142,340 0.892,341 6.93,342 2.38,343 3.76,344 3.18,345 5.339,346 3.422,347 2.464,348 3.142,349 0.892,350 6.929,351 2.36,352 3.599,353 2.729,354 5.109,355 3.242,356 2.264,357 2.812,358 0.141,359 6.048,360 2.198,361 3.585,362 2.729,363 5.108,364 3.222,365 2.234,366 2.798,367 0.141,368 6.027,369 2.188,370 3.341,371 2.159,372 4.988,373 2.932,374 1.963,375 2.666,377 5.858,378 1.893,379 3.34,380 2.159,381 4.976,382 2.929,383 1.959,384 2.665,386 5.845,387 1.89,388 2.745,389 1.874,390 4.156,391 2.565,392 1.581,393 1.848,395 3.52,396 1.55,397 2.743,398 1.477,399 4.156,400 2.304,401 1.325,402 1.846,404 3.51,405 1.295,406 2.642,407 1.476,408 3.691,409 2.303,410 1.323,411 1.633,413 3.264,414 1.294,415 2.338,416 1.379,417 3.367,418 2.03,419 1.089,420 1.301,422 2.217,423 1.022,424 2.335,425 1.379,426 3.338,427 2.023,428 1.075,429 1.295,431 2.136,432 1.016,433 2.035,434 1.35,435 3.255,436 1.838,437 0.917,438 0.986,440 1.939,441 0.839,442 2.012,443 1.132,444 3.103,445 1.677,446 0.742,447 0.909,449 1.556,450 0.687,451 17.233,452 0.466,453 0.691,454 0.019,455 44,456 1.189,457 20,458 0.541,459 24,460 0.649,461 32.951,462 0.891,463 41.567,464 0.585,465 35.914,466 0.971,467 9.016,468 0.244,469 9.051,470 0.245,471 0.085,473 0.29,479 0.929,480 1.288,481 0.871,482 1.089,483 0.749,484 0.969,485 0.966,486 1.174,487 0.959,488 1.104,489 0.686,490 1.038,491 1.001,492 0.934,493 0.987,494 0.939,495 1.003,496 0.958,497 1.003,498 1.117,499 1.061,500 1.159,501 0.912,502 1.128,503 1.005,504 1.073,505 0.951,506 1.099,507 0.988,508 1.035,509 1.613,510 1.003,511 1.174,512 0.955,513 1.548,514 0.994,515 1.254,516 0.98,517 1.109,518 1.002,519 1.212,520 1.033,521 0.846,522 1.037,523 0.858,524 1.061,525 0.886,526 0.988,527 6.5,528 0.164,529 3.778,530 1.833,531 1.707,532 0.959,533 0.475,534 0.554,535 0.314,536 0.161,537 27934,538 71012,539 2.071,540 47.9,542 18,543 2,545 8,547 4,548 2,550 1.77,551 1.965,552 4.135,553 4.726,559 111.767,560 1.574,561 3.719,562 4.636,563 4.882,564 4.882,565 4.882,566 3.547,567 4.128,568 5.187,569 4.365,570 2907.23,571 9.06,572 55338.9,577 436.632,578 1.283,579 5.153,580 0.162,581 0.006,582 0.071,583 0.035,584 0.036,585 0.022,586 0.012,587 0.015,588 0.009,589 0.005,590 0.374,591 0.17,592 0.63,593 0.943,594 214.002,595 -0.117,596 0.009,597 0.02,598 0.038,599 -0.095,600 0.061,601 -0.031,602 -0.024,603 -0.025,604 -0.028,605 0.002,606 -0.023,607 0.06,608 0.082,609 -0.005,610 0.075,611 -0.008,612 0.034,613 -0.089,614 -0.096,615 -0.103,616 -0.127,617 -0.085,618 -0.118,619 0.041,620 -0.121,621 0.045,622 -0.114,623 0.023,624 -0.048,625 -0.201,626 -0.057,627 -0.13,628 -0.011,629 -0.15,630 -0.056,631 -0.035,632 -0.01,633 -0.093,634 -0.038,635 -0.055,636 -0.073,637 0.195,638 -0.107,639 0.139,640 -0.069,641 0.237,642 0.007,643 1.889,644 5.119,645 0.486,646 50.221,647 1.004,648 1.136,649 0.301,650 0.091,651 0.641,652 3.714,653 3.989,654 4.234,655 4.477,656 4.654,657 4.7,658 4.779,659 4.86,660 4.745,661 4.682,662 10.932,663 0.611,664 506.67,665 3.714,666 5.231,667 6.061,668 6.919,669 7.772,670 8.638,671 9.502,672 10.373,673 11.243,674 12.118,675 8.5,676 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,712 2,714 71,716 22,717 2,718 40,720 74,721 27,722 16,723 6,724 6,730 4,731 6,736 2,743 3,745 18,746 9,750 2,755 2,759 2,764 34,765 8,766 8,767 10,773 6,777 0.5,778 4,788 2,792 2,793 2,796 2,805 2,812 2,819 2,827 37,828 2,833 9,834 2,835 2,847 5.6,850 2,852 2,854 18.833,855 12,856 8.444,857 4.139,858 3.702,859 1.459,860 0.993,861 9.846,862 11.765,863 3.97,864 4.549,865 5.137,866 5.744,867 6.239,868 6.552,869 6.91,870 7.254,871 7.075,872 7.061,873 1,874 52,875 13.706,877 5.73,878 7.802,879 26.106,881 21.064,883 2.302,884 85.167,888 306.049,889 135.865,890 135.387,892 72.29,895 135.865,896 378.338,897 135.387,899 127.027,900 74.952,901 59.699,902 77.575,903 27.83,904 282.506,906 306.049,907 271.252,908 72.29,911 235.422,912 142.916,915 160.598,916 110.654,919 306.049,920 207.677,921 135.865,924 306.049,925 60.913,926 74.952,927 69.593,928 138.084,929 306.049,930 207.677,931 135.865,933 0.561,934 0.322,935 0.177,936 0.099,937 22,938 10,939 0.189,940 14,941 2,942 1.222,943 5.055,944 319.656,945 0.222,946 18,947 156.75,951 27.008,952 13.489,953 7.487,954 4.103,955 174.106,956 15.214,958 6.415,961 3.495,963 135.387,964 649.59,965 52,970 24.238,974 -0.444,975 71.29,976 80.64,977 0.256,978 0.605,979 0.754,980 0.794,981 0.794,982 0.794,983 5.182,984 1.959,985 6.014,986 5.858,987 4.673,988 5.236,989 2.912,990 6.777,991 4.609,992 6.367,993 1.581,994 7.537,995 5.845,996 4.111,997 5.075,998 2.179,999 7.591,1000 4.067,1001 7.665,1002 1.325,1003 9.162,1004 3.52,1005 6.213,1006 7.476,1007 3.94,1008 10.684,1009 6.101,1010 9.005,1011 1.323,1012 10.849,1013 3.51,1014 6.524,1015 8.224,1016 3.874,1017 12.396,1018 6.429,1019 10.382,1020 1.089,1021 12.579,1022 3.264,1023 8.039,1024 10.08,1025 5.181,1026 14.989,1027 7.895,1028 11.785,1029 1.075,1030 14.339,1031 2.217,1032 8.77,1033 11.246,1034 5.439,1035 17.077,1036 8.635,1037 13.21,1038 0.917,1039 16.122,1040 2.136,1041 10.047,1042 12.892,1043 6.505,1044 19.505,1045 9.878,1046 3.092,1047 0.742,1048 17.924,1049 1.939,1050 10.985,1051 14.25,1052 6.94,1053 21.745,1054 10.818,1055 3.092,1056 10.36,1057 19.74,1058 1.556,1059 12.164,1060 15.812,1061 7.867,1062 24.116,1063 11.973,1064 2.477,1065 10.36,1066 21.568,1067 4.504,1068 13.202,1069 17.255,1070 8.406,1071 26.416,1072 13.005,1073 2.464,1074 6.93,1075 23.406,1076 4.504,1077 14.343,1078 18.783,1079 9.25,1080 28.766,1081 14.129,1082 2.264,1083 6.929,1084 25.252,1085 3.142,1086 15.428,1087 20.261,1088 9.853,1089 31.089,1090 15.204,1091 2.234,1092 6.048,1093 27.105,1094 3.142,1095 16.557,1096 21.775,1097 10.645,1098 33.432,1099 16.317,1100 1.963,1101 6.027,1102 28.962,1103 2.812,1104 17.664,1105 23.269,1106 11.288,1107 35.764,1108 17.411,1109 26350,1110 42176,1111 26.929,1112 45.512,1113 58.542,1114 60.364,1115 60.168,1116 58.091,1117 58.222,1118 75.788,1119 12.254,1120 159.41,1121 56.219,1122 5.517,1123 5.608,1124 6.32,1125 5.163,1126 5.092,1127 7.504,1128 3.634,1129 17.015,1130 5.043,1131 17.519,1132 1.464,1133 1.509,1134 1.504,1135 1.452,1136 1.456,1137 1.895,1138 0.306,1139 3.985,1140 1.405,1141 4.148,1142 4.18,1143 4.105,1144 4.06,1145 7.431,1146 4.067,1147 4.112,1148 4.143,1149 4.072,1150 4.027,1151 7.427,1152 4.035,1153 3.76,1154 3.821,1155 3.656,1156 3.547,1157 5.052,1158 3.561,1159 3.635,1160 3.671,1161 3.559,1162 3.439,1163 5.021,1164 3.451,1165 3.567,1166 3.632,1167 3.444,1168 3.422,1169 4.959,1170 3.418,1171 3.519,1172 3.591,1173 3.391,1174 3.304,1175 4.953,1176 3.328,1177 3.421,1178 3.484,1179 3.269,1180 3.193,1181 4.565,1182 3.206,1183 3.319,1184 3.39,1185 3.195,1186 3.091,1187 4.562,1188 3.105,1189 0.114,1190 0.09,1191 0.164,1192 0.102,1193 0.077,1194 4.55,1195 0.113,1196 3.608,1197 0.051,1198 6.546,1199 0.259,1200 4.076,1201 0.076,1202 3.092,1203 4.504,1204 2.03,1205 10.36,1206 3.043,1207 1.936,1208 1.918,1209 2.021,1210 2.028,1211 1.226,1212 2.025,1213 1.936,1214 1.918,1215 2.02,1216 2.026,1217 1.225,1218 2.023,1219 1.687,1220 1.623,1221 1.92,1222 1.918,1223 1.209,1224 1.92,1225 1.649,1226 1.591,1227 1.852,1228 1.846,1229 1.017,1230 1.854,1231 1.648,1232 1.588,1233 1.851,1234 1.845,1235 1.017,1236 1.853,1237 1.467,1238 1.429,1239 1.65,1240 1.757,1241 0.778,1242 1.723,1243 1.341,1244 1.296,1245 1.565,1246 1.615,1247 0.722,1248 1.603,1249 1.279,1250 1.191,1251 1.519,1252 1.566,1253 0.556,1254 1.56,1255 4.394,1257 5.68,1258 3.045,1259 7.146,1260 5.416,1261 8.703,1262 7.516,1263 10.316,1269 11.331,1271 3.944,1272 5.595,1273 11.277,1280 43.363,1281 111.767,1282 264.064,1283 329.122,1284 346.632,1285 346.632,1286 346.632,1287 78.785,1288 8.063,1289 160.28,1290 160.28,1291 22,1292 12.659,1293 4.524,1294 3.7,1295 65.728,1296 252,1297 205,1298 0.122,1299 267.667,1300 457.38,1301 644.867,1302 50398,1304 26.037,1305 0.704,1306 0.561,1307 26.037,1308 20.77,1309 18.067,1310 0.452,1311 0.312,1312 12.264,1313 17.3,1314 12.067,1315 9.982,1316 18.067,1317 12.462,1318 15.461,1319 0.292,1320 0.165,1321 15.461,1322 8.751,1323 12.689,1324 0.187,1325 0.089,1326 12.689,1327 6.043,1328 10.348,1329 0.119,1330 0.048,1331 10.348,1332 4.163,1333 8.252,1334 0.079,1335 0.026,1336 8.252,1337 2.696,1338 0.206,1339 113.898,1340 0.193,1341 35.381,1342 0.297,1343 186,1344 552.898,1345 205.785,1346 526.017,1347 712.06,1348 494,1349 214,1350 512.351,1351 232.956,1352 514.875,1353 749.5,1354 486,1355 9.523} {0 CHEMBL145815,1 1.428,2 15.088,3 3.177,4 10.094,5 138.371,6 6.745,7 0.553,8 4.307,9 4.447,10 3.805,11 3.817,12 5.292,13 3.783,14 4.88,15 5.078,16 4.118,17 4.237,18 5.753,19 4.169,20 5.141,21 5.385,22 4.118,23 4.399,24 5.911,25 4.274,26 5.259,27 5.527,28 4.087,29 4.433,30 5.987,31 4.281,32 5.292,33 5.574,34 4.07,35 4.41,36 5.994,37 4.254,38 5.249,39 5.523,40 4.047,41 4.379,42 5.977,43 4.231,44 5.219,45 5.496,46 3.957,47 4.336,48 5.948,49 4.168,50 5.16,51 5.466,52 3.73,53 4.211,54 5.811,55 4.014,56 0.091,57 1.043,58 15.92,59 6.096,60 14.137,61 8.818,62 0.326,63 1.684,64 29.676,65 10.126,66 25.259,67 14.97,68 0.348,69 2.025,70 38.814,71 13.852,72 31.082,73 20.816,74 0.347,75 2.152,76 44.105,77 15.892,78 37.762,79 23.807,80 0.396,81 2.134,82 46.153,83 16.251,84 38.874,85 24.344,86 0.427,87 2.063,88 44.319,89 15.32,90 38.035,91 22.868,92 0.458,93 2.01,94 42.915,95 14.999,96 39.986,97 22.558,98 0.373,99 1.841,100 40.718,101 13.687,102 34.375,103 21.226,104 4,105 51,106 0.224,107 0.559,108 0.764,109 0.829,110 0.848,111 0.848,112 3.56,113 0.969,114 -4.79,115 -4.7,116 -4.41,119 39.7,121 4,124 1,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 6,178 12,182 4,184 1,186 5,189 8,193 8,195 1,197 3,199 7,203 10,206 1,208 1,211 8,215 6,218 1,220 1,222 7,225 1,226 5,229 2,231 1,233 4,236 1,237 5,242 3,244 3,249 2,254 1,256 5,259 2110,260 23.869,261 23.869,262 23.869,263 23.869,264 23.869,265 21.455,266 30.647,267 14.524,268 24.443,269 18.789,270 18.789,271 18.789,272 18.789,273 18.789,274 15.237,275 42.053,276 6.855,277 19.632,278 4.66,279 2.527,280 1.225,281 0.809,282 0.688,283 0.688,284 4.272,289 1,290 1137,291 3.606,294 187.937,295 357.447,298 160.964,302 2.324,303 15.971,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 72,315 513,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.86,323 10.431,324 3.062,325 4.129,326 3.193,327 6.164,328 3.855,329 2.882,330 3.731,331 0.8,332 9.161,333 2.806,334 4.085,335 2.893,336 6.095,337 3.69,338 2.753,339 3.551,340 0.657,341 8.884,342 2.578,343 3.649,344 2.859,345 5.478,346 3.557,347 2.604,348 2.813,350 7.336,351 2.483,352 3.433,353 2.393,354 5.15,355 3.15,356 2.197,357 2.675,359 6.375,360 2.089,361 3.292,362 2.181,363 5.109,364 2.999,365 2.024,366 2.591,368 5.994,369 1.964,370 3.245,371 2.122,372 4.514,373 2.787,374 1.817,375 2.401,377 4.655,378 1.76,379 3.039,380 1.795,381 4.413,382 2.729,383 1.774,384 2.111,386 4.422,387 1.689,388 2.742,389 1.687,390 4.133,391 2.314,392 1.329,393 1.847,395 3.481,396 1.308,397 2.559,398 1.37,399 3.514,400 2.224,401 1.287,402 1.571,404 2.738,405 1.199,406 2.5,407 1.182,408 3.47,409 2.091,410 1.129,411 1.5,413 2.534,414 1.083,415 2.426,416 1.077,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.258,425 1.077,426 3.318,427 1.984,428 1,429 1.201,431 2.136,432 0.983,433 2.118,434 1,435 3.247,436 1.864,437 0.905,438 1,440 2.101,441 0.865,442 2.003,443 0.927,444 3.186,445 1.72,446 0.826,447 0.927,449 1.609,450 0.732,451 16.233,452 0.477,453 0.547,454 0.016,455 40.5,456 1.191,457 18,458 0.529,459 22.5,460 0.662,461 32.458,462 0.955,463 37.167,464 0.547,465 28.737,466 0.845,467 7.932,468 0.233,469 8.865,470 0.261,471 0.031,473 0.265,479 0.915,480 1.412,481 0.88,482 1.174,483 0.751,484 1.045,485 1.403,486 1.083,487 1.067,488 0.976,489 1.069,490 0.988,491 0.884,492 1.07,493 1.055,494 1.076,495 0.768,496 1.079,497 0.803,498 1.042,499 0.999,500 1.087,501 0.749,502 1.068,503 0.904,504 0.96,505 0.922,506 0.99,507 0.843,508 0.967,509 1.125,510 0.966,511 0.995,512 0.989,513 0.992,514 0.988,515 0.885,516 1.025,517 1.027,518 1.065,519 0.946,520 1.07,521 0.753,522 0.934,523 1.002,524 0.995,525 0.912,526 1.014,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.882,533 0.526,534 0.345,535 0.229,536 0.148,537 20762,538 45980,539 2.182,540 50,541 2,542 21,543 1,544 2,545 2,547 2,548 4,550 1.753,551 2.125,552 3.841,553 0.147,559 97.082,560 1.428,561 3.561,562 4.863,563 5.278,564 5.4,565 5.4,566 3.257,567 4.455,568 5.062,569 4.072,570 2284.44,571 8.836,572 37862,577 413.947,578 1.012,579 5.053,580 0.132,581 0.004,582 0.065,583 0.027,584 0.026,585 0.02,586 0.012,587 0.009,588 0.008,589 0.005,590 0.307,591 0.17,592 0.88,593 0.599,594 187.411,595 0.069,596 -0.158,597 0.082,598 -0.067,599 0.171,600 -0.003,601 -0.138,602 0.065,603 -0.068,604 0.047,605 -0.068,606 0.001,607 -0.039,608 -0.025,609 -0.089,610 -0.056,611 0.014,612 -0.073,614 -0.069,615 -0.034,616 -0.077,617 0.059,618 -0.061,619 0.02,620 -0.033,621 0.057,622 0.003,623 0.063,624 0.029,625 -0.054,626 -0.023,627 -0.006,628 0.001,629 -0.03,631 0.048,632 -0.081,633 -0.049,634 -0.075,635 -0.038,636 -0.078,637 -0.01,638 -0.014,639 -0.03,640 -0.035,641 -0.09,642 -0.033,643 1.076,644 1.985,645 0.765,646 41.298,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.951,654 4.234,655 4.489,656 4.663,657 4.727,658 4.86,659 4.977,660 5.024,661 5.037,662 9.018,663 0.606,664 458.67,665 3.664,666 5.187,667 6.033,668 6.895,669 7.756,670 8.624,671 9.491,672 10.362,673 11.232,674 12.106,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,740 3,743 6,745 16,746 11,764 34,765 5,766 2,767 7,773 6,777 0.8,778 1,788 1,792 2,793 3,796 1,814 1,815 1,818 1,819 4,823 1,827 34,833 8,834 1,835 1,837 2,838 1,844 1,847 1.5,851 1,854 16,855 12.05,856 7.611,857 4.191,858 3.48,859 1.422,860 0.993,861 7.592,862 11.736,863 3.902,864 4.454,865 5.042,866 5.62,867 6.053,868 6.376,869 6.817,870 7.223,871 7.41,872 7.614,873 0.9,874 49,875 12.567,877 5.241,878 7.426,879 24.991,881 20.902,883 1.926,884 65.5,888 376.675,889 147.87,890 73.146,892 11,895 147.87,896 387.675,897 73.146,898 10.883,899 21.048,900 102.868,901 85.105,902 33.51,903 13.915,904 341.362,906 376.675,907 221.016,908 11,911 306.049,912 70.627,913 11,915 78.104,916 109.585,917 33.326,919 376.675,920 84.146,921 147.87,924 376.675,925 34.893,926 118.001,927 34.796,928 44.326,929 376.675,930 84.146,931 147.87,933 0.565,934 0.333,935 0.187,936 0.098,937 24,938 9,939 0.139,940 10,941 1,942 1.077,943 4.764,944 307.096,945 0.077,946 26,947 158.219,951 23.097,952 11.175,953 5.713,954 2.474,955 65.461,956 22.748,957 7.849,958 3.424,961 3.778,962 1.948,963 34.796,964 608.691,965 48.5,975 67.309,976 77.012,977 0.235,978 0.585,979 0.799,980 0.867,981 0.887,982 0.887,983 5.119,984 1.774,985 5.979,986 4.655,987 4.635,988 5.142,989 1.459,990 6.749,991 4.557,992 6.278,993 1.329,994 7.503,995 4.422,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.899,1001 7.553,1002 1.287,1003 9.129,1004 3.481,1005 6.18,1006 7.289,1007 1.074,1008 10.655,1009 6.036,1010 8.867,1011 1.129,1012 10.818,1013 2.738,1014 6.463,1015 7.862,1016 0.268,1017 12.343,1018 6.288,1019 10.221,1020 1,1021 12.55,1022 2.534,1023 8.009,1024 9.792,1025 0.807,1026 14.915,1027 7.808,1028 11.603,1029 1,1030 14.31,1031 2.275,1032 8.715,1033 10.837,1034 0.188,1035 16.957,1036 8.487,1037 13.007,1038 0.905,1039 16.091,1040 2.136,1041 10,1042 12.509,1043 0.608,1044 19.353,1045 9.751,1046 3.118,1047 0.826,1048 17.887,1049 2.101,1050 10.911,1051 13.788,1052 0.125,1053 21.546,1054 10.64,1055 2.882,1056 10.431,1057 19.695,1058 1.609,1059 12.085,1060 15.353,1061 0.458,1062 23.883,1063 11.796,1064 2.753,1065 9.161,1066 21.511,1067 4.518,1068 13.095,1069 16.746,1070 0.082,1071 26.144,1072 12.788,1073 2.604,1074 8.884,1075 23.334,1076 3.731,1077 14.225,1078 18.267,1079 0.343,1080 28.464,1081 13.901,1082 2.197,1083 7.336,1084 25.164,1085 3.551,1086 15.284,1087 19.715,1088 0.054,1089 30.756,1090 14.944,1091 2.024,1092 6.375,1093 26.998,1094 2.813,1095 16.397,1096 21.221,1097 0.256,1098 33.075,1099 16.042,1100 1.817,1101 5.994,1102 28.837,1103 2.675,1104 17.482,1105 22.697,1106 0.035,1107 35.384,1108 17.112,1109 19087,1110 28597,1111 26.523,1112 44.148,1113 56.491,1114 55.94,1115 56.512,1116 55.932,1117 55.957,1118 71.343,1119 4.635,1120 154.374,1121 53.679,1122 5.568,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.72,1129 17.095,1130 5.062,1131 8.326,1132 1.487,1133 1.472,1134 1.487,1135 1.472,1136 1.473,1137 1.877,1138 0.122,1139 4.062,1140 1.413,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.96,1148 4.006,1149 3.878,1150 3.875,1151 4.927,1152 3.871,1153 3.847,1154 3.912,1155 3.79,1156 3.702,1157 4.779,1158 3.7,1159 3.819,1160 3.885,1161 3.724,1162 3.586,1163 4.605,1164 3.623,1165 3.561,1166 3.628,1167 3.426,1168 3.396,1169 4.374,1170 3.396,1171 3.474,1172 3.529,1173 3.328,1174 3.28,1175 4.257,1176 3.285,1177 3.289,1178 3.356,1179 3.175,1180 3.117,1181 4.063,1182 3.121,1183 3.166,1184 3.255,1185 2.985,1186 2.941,1187 3.866,1188 2.91,1189 0.12,1190 0.084,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.197,1197 0.023,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.86,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.083,1210 2.071,1211 1.432,1212 2.079,1213 1.932,1214 1.9,1215 2.044,1216 2.048,1217 1.281,1218 2.046,1219 1.831,1220 1.772,1221 2.011,1222 1.981,1223 1.196,1224 1.995,1225 1.663,1226 1.608,1227 1.873,1228 1.83,1229 1.114,1230 1.848,1231 1.458,1232 1.401,1233 1.705,1234 1.71,1235 0.86,1236 1.709,1237 1.402,1238 1.333,1239 1.589,1240 1.661,1241 0.825,1242 1.642,1243 1.316,1244 1.251,1245 1.513,1246 1.536,1247 0.753,1248 1.537,1249 1.153,1250 1.064,1251 1.507,1252 1.442,1253 0.583,1254 1.438,1255 4.344,1257 5.638,1258 3.045,1259 7.124,1260 5.283,1261 8.696,1262 7.286,1263 10.315,1265 1.781,1271 8.755,1272 3.842,1273 5.485,1275 0.8,1276 2.615,1280 41.218,1281 97.082,1282 242.145,1283 330.663,1284 358.928,1285 367.193,1286 367.193,1287 45.461,1288 8.256,1289 71,1290 71,1291 28,1292 12.647,1293 4.459,1294 3.524,1295 50.434,1296 190,1297 150,1298 0.127,1299 251.212,1300 421.29,1301 604.718,1302 54914,1304 23.167,1305 0.681,1306 0.584,1307 23.167,1308 19.86,1309 16.797,1310 0.442,1311 0.323,1312 12.101,1313 16.16,1314 11.84,1315 9.808,1316 16.797,1317 12.272,1318 14.379,1319 0.282,1320 0.181,1321 14.379,1322 9.218,1323 12.435,1324 0.183,1325 0.102,1326 12.435,1327 6.948,1328 10.471,1329 0.119,1330 0.058,1331 10.471,1332 5.061,1333 8.133,1334 0.077,1335 0.034,1336 8.133,1337 3.582,1338 0.209,1339 105.04,1340 0.194,1341 32.351,1342 0.324,1343 178,1344 428.982,1345 191.371,1346 419.458,1347 586.45,1348 398,1349 208,1350 437.781,1351 223.009,1352 448.092,1353 647.85,1354 420,1355 8.523} {0 CHEMBL145849,1 1.414,2 15.771,3 3.883,4 15.075,5 143.731,6 6.658,7 0.538,8 4.345,9 4.486,10 3.827,11 3.857,12 5.332,13 3.817,14 4.919,15 5.123,16 4.151,17 4.289,18 5.783,19 4.216,20 5.203,21 5.444,22 4.174,23 4.474,24 5.972,25 4.343,26 5.356,27 5.628,28 4.156,29 4.52,30 6.105,31 4.361,32 5.399,33 5.686,34 4.09,35 4.488,36 6.152,37 4.318,38 5.332,39 5.623,40 4.037,41 4.431,42 6.043,43 4.257,44 5.267,45 5.559,46 3.974,47 4.345,48 6.004,49 4.177,50 5.16,51 5.45,52 3.806,53 4.242,54 5.884,55 4.063,56 0.104,57 1.086,58 16.813,59 6.417,60 14.379,61 9.35,62 0.314,63 1.771,64 30.958,65 10.63,66 25.582,67 15.983,68 0.336,69 2.152,70 41.213,71 15.268,72 31.199,73 22.766,74 0.34,75 2.349,76 48.59,77 17.528,78 41.227,79 26.399,80 0.517,81 2.325,82 51.605,83 17.99,84 58.397,85 26.873,86 0.394,87 2.189,88 47.936,89 17.121,90 42.814,91 25.729,92 0.449,93 2.053,94 45.253,95 15.428,96 45.071,97 23.38,98 0.47,99 1.853,100 40.679,101 13.553,102 43.018,103 20.774,104 6,105 53,106 0.22,107 0.548,108 0.757,109 0.833,110 0.851,111 0.851,112 3.588,113 0.98,114 -4.99,115 -4.89,116 -4.58,119 39.4,121 4,122 1,124 1,125 5,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 7,176 3,178 12,182 8,184 1,186 4,189 8,193 8,197 3,199 6,202 1,203 7,206 1,208 3,211 9,215 4,218 1,220 3,222 10,226 5,229 2,233 8,236 1,237 6,240 1,242 2,244 5,249 3,254 1,256 4,259 2312,260 24.369,261 24.369,262 24.369,263 24.369,264 24.369,265 21.955,266 27.424,267 14.566,268 24.829,269 19.218,270 19.218,271 19.218,272 19.218,273 19.218,274 15.67,275 30.628,276 6.833,277 19.974,278 4.736,279 2.632,280 1.293,281 0.803,282 0.687,283 0.687,284 4.297,289 1,290 1221,291 3.873,294 196.266,295 374.722,298 168.482,302 2.446,303 17.629,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 74,315 552,316 4.568,317 3.324,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.146,326 3.196,327 6.446,328 3.949,329 2.987,330 3.731,331 0.8,332 9.912,333 2.878,334 4.129,335 2.896,336 6.095,337 3.69,338 2.753,339 3.573,340 0.172,341 8.884,342 2.58,343 3.681,344 2.863,345 5.526,346 3.608,347 2.644,348 2.813,350 7.475,351 2.555,352 3.451,353 2.48,354 5.235,355 3.236,356 2.285,357 2.728,359 6.604,360 2.162,361 3.406,362 2.191,363 5.126,364 3.026,365 2.047,366 2.594,368 6,369 1.999,370 3.249,371 2.095,372 4.912,373 2.944,374 1.974,375 2.53,377 5.445,378 1.909,379 3.133,380 1.795,381 4.514,382 2.73,383 1.776,384 2.189,386 4.655,387 1.69,388 2.757,389 1.644,390 4.134,391 2.419,392 1.444,393 1.853,395 3.484,396 1.405,397 2.733,398 1.364,399 3.903,400 2.306,401 1.322,402 1.805,404 3.237,405 1.3,406 2.5,407 1.343,408 3.476,409 2.091,410 1.126,411 1.5,413 2.539,414 1.084,415 2.427,416 1.155,417 3.414,418 2,419 1.013,420 1.401,422 2.275,423 1,424 2.262,425 1.077,426 3.414,427 1.984,428 1,429 1.208,431 2.183,432 0.983,433 2.122,434 1,435 3.314,436 1.951,437 1,438 1.092,440 2.136,441 0.943,442 2.118,443 0.931,444 3.247,445 1.857,446 0.893,447 1,449 2.079,450 0.858,451 16.733,452 0.478,453 0.636,454 0.018,455 41,456 1.171,457 18,458 0.514,459 23,460 0.657,461 35.059,462 1.002,463 38.467,464 0.542,465 29.484,466 0.842,467 7.895,468 0.226,469 9.313,470 0.266,471 0.05,473 0.281,479 0.939,480 1.434,481 0.904,482 1.169,483 0.866,484 1.056,485 1.194,486 1.054,487 1.049,488 0.968,489 0.861,490 0.983,491 0.798,492 1.101,493 1.047,494 1.119,495 0.632,496 1.109,497 0.789,498 1.081,499 0.995,500 1.109,501 0.623,502 1.077,503 1.072,504 0.913,505 0.99,506 0.975,507 1.273,508 0.983,509 0.811,510 0.971,511 0.916,512 1.004,513 0.879,514 0.981,515 0.991,516 0.949,517 0.952,518 0.964,519 1.105,520 0.962,521 1.04,522 0.905,523 1.07,524 0.967,525 1.113,526 1.015,527 5.5,528 0.115,529 3.778,530 1.819,531 1.357,532 1.021,533 0.666,534 0.268,535 0.253,536 0.201,537 22651,538 49717,539 2.158,540 50.7,541 2,542 22,543 1,544 2,545 2,547 7,550 1.76,551 2.079,552 3.907,553 0.134,559 100.399,560 1.414,561 3.518,562 4.857,563 5.347,564 5.463,565 5.463,566 3.351,567 4.786,568 5.104,569 4.131,570 2457.93,571 8.915,572 41818.4,577 436.632,578 1.15,579 5.086,580 0.141,581 0.004,582 0.071,583 0.035,584 0.028,585 0.023,586 0.015,587 0.007,588 0.008,589 0.007,590 0.339,591 0.17,592 0.75,593 0.529,594 195.083,595 0.05,596 -0.172,597 0.073,598 -0.048,599 0.036,601 -0.107,602 0.119,603 -0.054,604 0.061,605 -0.052,606 0.017,607 -0.012,608 -0.055,609 -0.085,610 -0.078,611 0.028,612 -0.087,613 -0.005,614 -0.11,615 -0.031,616 -0.098,617 0.097,618 -0.07,619 -0.023,620 0.006,621 -0.003,622 0.007,623 -0.05,624 0.002,625 0.039,626 -0.056,627 0.054,628 -0.011,629 0.034,630 0.017,631 0.013,632 -0.025,633 0.034,634 0.007,635 -0.039,636 0.018,637 -0.041,638 0.041,639 -0.082,640 -0.007,641 -0.126,642 -0.043,643 1.339,644 3.967,645 0.743,646 43.262,647 0.989,648 1.133,649 3.756,650 14.105,651 0.647,652 3.689,653 3.989,654 4.277,655 4.522,656 4.663,657 4.727,658 4.86,659 4.963,660 4.997,661 5.05,662 9.338,663 0.602,664 472.7,665 3.689,666 5.22,667 6.071,668 6.936,669 7.799,670 8.669,671 9.536,672 10.409,673 11.279,674 12.154,675 8.5,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 71,716 21,717 2,718 39,720 75,721 28,722 16,723 4,724 8,730 5,731 6,736 1,740 2,741 1,743 5,745 16,746 12,747 1,764 36,765 5,766 2,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,815 2,817 1,819 4,823 1,827 35,832 1,833 9,837 2,838 2,844 1,847 1.4,848 1,854 16.833,855 12.533,856 7.806,857 4.408,858 3.457,859 1.417,860 0.975,861 7.822,862 11.754,863 3.922,864 4.477,865 5.061,866 5.634,867 6.054,868 6.376,869 6.816,870 7.218,871 7.388,872 7.611,873 1,874 52,875 12.959,877 5.439,878 7.471,879 25.756,881 21.722,883 1.971,884 69,888 400.217,889 142.897,890 58.259,892 42.683,895 142.897,896 442.901,897 58.259,898 8.396,899 18.561,900 127.541,901 74.105,902 36.634,903 13.915,904 364.904,906 400.217,907 201.156,908 42.683,911 317.82,912 82.398,913 42.683,915 60.731,916 107.099,917 33.326,919 400.217,920 100.943,921 142.897,924 400.217,925 32.406,926 118.639,927 16.786,928 76.009,929 400.217,930 100.943,931 142.897,933 0.572,934 0.343,935 0.189,936 0.092,937 25,938 10,939 0.133,940 10,941 1,942 1.077,943 4.821,944 319.233,945 0.077,946 26,947 167.525,951 24.051,952 11.383,953 5.776,954 2.466,955 82.258,956 22.448,957 7.847,958 3.422,961 3.662,962 1.945,963 59.469,964 644.057,965 49.5,975 70.192,976 80.427,977 0.23,978 0.572,979 0.79,980 0.869,981 0.888,982 0.888,983 5.149,984 1.776,985 6.028,986 5.445,987 4.673,988 5.165,989 1.242,990 6.812,991 4.6,992 6.313,993 1.444,994 7.566,995 4.655,996 4.111,997 4.783,998 0.57,999 7.662,1000 3.995,1001 7.593,1002 1.322,1003 9.205,1004 3.484,1005 6.236,1006 7.308,1007 0.883,1008 10.757,1009 6.095,1010 8.91,1011 1.126,1012 10.907,1013 3.237,1014 6.567,1015 7.889,1016 0.581,1017 12.475,1018 6.382,1019 10.266,1020 1.013,1021 12.651,1022 2.539,1023 8.085,1024 9.805,1025 0.68,1026 15.056,1027 7.881,1028 11.649,1029 1,1030 14.422,1031 2.275,1032 8.823,1033 10.852,1034 0.515,1035 17.119,1036 8.583,1037 13.053,1038 1,1039 16.214,1040 2.183,1041 10.096,1042 12.519,1043 0.541,1044 19.528,1045 9.836,1046 3.118,1047 0.893,1048 18.021,1049 2.136,1050 11.028,1051 13.797,1052 0.441,1053 21.736,1054 10.739,1055 2.987,1056 10.431,1057 19.84,1058 2.079,1059 12.199,1060 15.359,1061 0.438,1062 24.085,1063 11.89,1064 2.753,1065 9.912,1066 21.667,1067 4.518,1068 13.223,1069 16.751,1070 0.373,1071 26.354,1072 12.889,1073 2.644,1074 8.884,1075 23.501,1076 3.731,1077 14.353,1078 18.271,1079 0.358,1080 28.683,1081 14,1082 2.285,1083 7.475,1084 25.341,1085 3.573,1086 15.422,1087 19.719,1088 0.314,1089 30.981,1090 15.047,1091 2.047,1092 6.604,1093 27.185,1094 2.813,1095 16.537,1096 21.224,1097 0.296,1098 33.305,1099 16.145,1100 1.974,1101 6,1102 29.034,1103 2.728,1104 17.628,1105 22.7,1106 0.264,1107 35.616,1108 17.216,1109 20848,1110 31093,1111 26.929,1112 45.91,1113 58.16,1114 57.718,1115 58.707,1116 57.568,1117 57.533,1118 72.903,1119 3.778,1120 161.061,1121 55.391,1122 5.568,1123 5.324,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.155,1130 5.062,1131 11.542,1132 1.491,1133 1.48,1134 1.505,1135 1.476,1136 1.475,1137 1.869,1138 0.097,1139 4.13,1140 1.42,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.456,1146 4.07,1147 3.964,1148 4.011,1149 3.881,1150 3.878,1151 5.135,1152 3.873,1153 3.866,1154 3.922,1155 3.79,1156 3.738,1157 4.927,1158 3.733,1159 3.825,1160 3.896,1161 3.746,1162 3.589,1163 4.75,1164 3.625,1165 3.601,1166 3.673,1167 3.471,1168 3.422,1169 4.372,1170 3.426,1171 3.493,1172 3.559,1173 3.349,1174 3.329,1175 4.258,1176 3.329,1177 3.297,1178 3.361,1179 3.183,1180 3.133,1181 4.163,1182 3.136,1183 3.206,1184 3.285,1185 3.022,1186 2.975,1187 3.927,1188 2.971,1189 0.117,1190 0.085,1191 0.168,1192 0.105,1193 0.08,1194 4.568,1195 0.116,1196 3.324,1197 0.023,1198 6.566,1199 0.267,1200 4.099,1201 0.079,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.937,1209 2.095,1210 2.073,1211 1.474,1212 2.084,1213 1.934,1214 1.901,1215 2.047,1216 2.049,1217 1.291,1218 2.047,1219 1.86,1220 1.803,1221 2.026,1222 1.999,1223 1.221,1224 2.012,1225 1.676,1226 1.62,1227 1.886,1228 1.843,1229 1.122,1230 1.862,1231 1.518,1232 1.45,1233 1.752,1234 1.744,1235 0.921,1236 1.751,1237 1.406,1238 1.335,1239 1.593,1240 1.661,1241 0.825,1242 1.642,1243 1.329,1244 1.267,1245 1.526,1246 1.537,1247 0.789,1248 1.541,1249 1.178,1250 1.095,1251 1.513,1252 1.459,1253 0.671,1254 1.478,1255 4.369,1257 5.673,1258 3.045,1259 7.168,1260 5.283,1261 8.747,1262 7.286,1263 10.371,1265 2.149,1270 9.967,1271 9.367,1275 0.773,1276 4.954,1280 42.745,1281 100.399,1282 249.781,1283 344.858,1284 379.612,1285 387.877,1286 387.877,1287 52.052,1288 8.298,1289 73.21,1290 73.21,1291 28,1292 12.694,1293 4.459,1294 3.524,1295 52.716,1296 202,1297 166,1298 0.124,1299 260.804,1300 438.59,1301 628.123,1302 58856,1304 24.037,1305 0.687,1306 0.587,1307 24.037,1308 20.553,1309 17.208,1310 0.441,1311 0.327,1312 12.584,1313 16.61,1314 12.294,1315 10.187,1316 17.208,1317 12.744,1318 14.88,1319 0.281,1320 0.186,1321 14.88,1322 9.85,1323 12.985,1324 0.183,1325 0.106,1326 12.985,1327 7.531,1328 10.983,1329 0.121,1330 0.06,1331 10.983,1332 5.463,1333 8.095,1334 0.077,1335 0.036,1336 8.095,1337 3.768,1338 0.206,1339 107.255,1340 0.193,1341 33.197,1342 0.315,1343 184,1344 428.708,1345 196.624,1346 422.773,1347 590.29,1348 400,1349 216,1350 440.991,1351 230.679,1352 451.663,1353 654.67,1354 424,1355 8.222} {0 CHEMBL145982,1 1.593,2 15.743,3 3.961,4 15.691,5 141.575,6 7.354,7 0.538,8 4.3,9 4.425,10 3.988,11 3.852,12 5.283,13 3.803,14 4.883,15 5.069,16 4.297,17 4.283,18 5.956,19 4.206,20 5.152,21 5.368,22 4.302,23 4.459,24 6.07,25 4.326,26 5.316,27 5.565,28 4.231,29 4.456,30 6.257,31 4.309,32 5.254,33 5.518,34 4.147,35 4.396,36 6.114,37 4.237,38 5.217,39 5.482,40 4.057,41 4.336,42 6.074,43 4.182,44 5.139,45 5.41,46 3.977,47 4.255,48 5.995,49 4.104,50 5.03,51 5.303,52 3.83,53 4.191,54 5.765,55 4.016,56 0.11,57 1.069,58 17.734,59 6.385,60 18.004,61 8.456,62 0.462,63 1.735,64 30.241,65 10.734,66 54.352,67 14.652,68 0.249,69 2.101,70 45.607,71 16.296,72 43.084,73 21.259,74 0.565,75 2.226,76 52.398,77 17.344,78 93.138,79 23.384,80 0.492,81 2.12,82 50.653,83 16.876,84 65.735,85 22.961,86 0.507,87 2.005,88 48.122,89 15.768,90 70.437,91 21.908,92 0.563,93 1.87,94 41.052,95 13.852,96 65.481,97 20.057,98 0.318,99 1.737,100 37.732,101 13.041,102 36.941,103 18.786,104 10,105 55,106 0.249,107 0.559,108 0.736,109 0.817,110 0.836,111 0.836,112 3.588,113 1.049,114 -4.77,115 -4.68,116 -4.4,119 38.8,121 4,122 1,124 1,125 4,140 8,141 2,142 2,149 1,150 1,158 2,164 1,169 11,171 5,172 6,176 3,178 10,182 12,186 3,189 7,193 14,197 1,199 5,202 1,203 13,206 1,211 7,215 4,218 1,222 10,225 2,226 4,229 2,233 8,236 1,237 6,242 2,244 5,249 5,254 1,256 3,259 2283,260 23.841,261 23.841,262 23.841,263 23.841,264 23.841,265 21.162,266 25.649,267 14.061,268 24.369,269 19.251,270 19.251,271 19.251,272 19.251,273 19.251,274 15.187,275 25.354,276 6.667,277 20.13,278 4.473,279 2.496,280 1.37,281 0.851,282 0.728,283 0.728,284 4.293,289 1,290 1219,291 4.123,294 196.152,295 374.261,298 168.372,302 2.423,303 30.632,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 75,315 551,316 4.923,317 4.723,318 7.641,319 4.419,320 3.497,321 4.753,322 0.8,323 13.439,324 3.198,325 4.568,326 3.196,327 6.566,328 4.099,329 3.118,330 4.518,331 0.4,332 10.431,333 3.062,334 4.129,335 2.902,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.58,343 3.683,344 2.871,345 5.603,346 3.618,347 2.658,348 3.089,350 7.514,351 2.556,352 3.578,353 2.57,354 5.391,355 3.234,356 2.285,357 2.813,359 6.654,360 2.164,361 3.432,362 2.195,363 5.135,364 3.068,365 2.079,366 2.658,368 6.004,369 2.051,370 3.256,371 2.115,372 5.08,373 2.989,374 2.012,375 2.59,377 5.765,378 1.957,379 3.216,380 1.795,381 4.514,382 2.73,383 1.776,384 2.242,386 4.655,387 1.69,388 2.76,389 1.759,390 4.147,391 2.427,392 1.475,393 1.855,395 3.579,396 1.396,397 2.737,398 1.366,399 4.131,400 2.306,401 1.322,402 1.831,404 3.468,405 1.298,406 2.5,407 1.166,408 3.523,409 2.098,410 1.129,411 1.5,413 2.593,414 1.092,415 2.468,416 1.091,417 3.456,418 2,419 1.02,420 1.425,422 2.462,423 1,424 2.412,425 1.077,426 3.414,427 1.994,428 1,429 1.356,431 2.275,432 0.991,433 2.244,434 1,435 3.316,436 1.984,437 1,438 1.179,440 2.136,441 0.983,442 2.118,443 0.928,444 3.247,445 1.857,446 0.891,447 1,449 2.092,450 0.858,451 16.9,452 0.483,453 0.841,454 0.024,455 44,456 1.257,457 21,458 0.6,459 23,460 0.657,461 32.957,462 0.942,463 38.3,464 0.572,465 33.111,466 0.946,467 8.219,468 0.235,469 8.784,470 0.251,471 0.069,472 0.049,473 0.249,479 0.578,480 1.47,481 0.842,482 1.27,483 0.605,484 1.035,485 0.813,486 0.988,487 0.893,488 0.888,489 0.544,490 0.931,491 0.851,492 1.183,493 1.251,494 1.308,495 0.673,496 1.141,497 1.377,498 0.988,499 1.078,500 0.997,501 1.547,502 1.022,503 0.994,504 0.951,505 1.074,506 1.045,507 1.03,508 1.004,509 1.1,510 0.971,511 1.022,512 1.008,513 1.259,514 0.996,515 0.911,516 0.9,517 0.823,518 0.841,519 1.016,520 0.971,521 0.658,522 0.988,523 0.983,524 1.033,525 0.438,526 1.096,527 7,528 0.132,529 4.667,530 2.069,531 1.574,532 1.167,533 0.648,534 0.312,535 0.258,536 0.221,537 22503,538 56871,539 2.134,540 47.8,541 2,542 19,543 1,544 2,545 1,547 7,550 1.759,551 2.029,552 3.904,553 -0.345,559 106.707,560 1.593,561 3.57,562 4.696,563 5.215,564 5.338,565 5.338,566 3.351,567 4.729,568 5.105,569 4.123,570 2453.47,571 8.913,572 41524.1,577 406.428,578 1.375,579 5.07,580 0.179,581 0.005,582 0.085,583 0.038,584 0.033,585 0.026,586 0.015,587 0.008,588 0.008,589 0.008,590 0.405,591 0.17,592 0.75,593 0.45,594 194.852,595 0.163,596 -0.214,597 0.211,598 -0.105,599 -0.067,600 -0.005,601 0.173,602 0.164,603 0.053,604 0.11,605 0.238,606 0.039,607 -0.04,608 -0.131,609 -0.119,610 -0.164,611 0.102,612 -0.106,613 -0.172,614 -0.052,615 -0.075,616 -0.01,617 -0.115,618 -0.04,619 -0.033,620 -0.006,621 -0.036,622 -0.028,623 -0.026,624 -0.004,625 -0.072,626 -0.053,627 -0.041,628 -0.029,629 -0.101,630 -0.003,631 0.042,632 0.019,633 0.013,634 0.037,635 -0.064,637 -0.023,638 -0.027,639 -0.086,640 -0.086,641 -0.024,642 -0.096,643 4.335,644 5.81,645 0.743,646 42.407,647 0.997,648 1.13,649 3.541,650 12.542,651 0.664,652 3.689,653 4.025,654 4.304,655 4.511,656 4.673,657 4.727,658 4.86,659 4.963,660 4.997,661 5.037,662 9.283,663 0.621,664 492.71,665 3.689,666 5.242,667 6.098,668 6.974,669 7.846,670 8.725,671 9.602,672 10.483,673 11.363,674 12.245,675 9,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 67,716 23,717 2,718 39,720 71,721 26,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 4,745 16,746 10,747 1,750 2,753 1,755 2,764 32,765 6,766 1,767 9,768 1,773 6,777 0.8,778 2,788 1,792 2,793 3,796 1,815 1,819 4,821 1,823 1,827 35,830 1,833 8,837 1,838 2,844 1,847 3,850 2,854 17.25,855 12,856 7.583,857 4.122,858 3.492,859 1.421,860 1.009,861 7.235,862 11.79,863 3.961,864 4.575,865 5.14,866 5.675,867 6.102,868 6.421,869 6.858,870 7.214,871 7.393,872 7.612,873 1,874 54,875 13.184,877 5.836,878 7.645,879 25.465,881 21.736,883 2.145,884 75.083,888 364.904,889 147.07,890 56.654,892 44.313,894 5.807,895 141.262,896 409.217,897 56.654,898 8.396,899 18.561,900 90.665,901 118.418,902 33.394,903 13.915,904 329.591,906 364.904,907 197.916,908 44.313,909 5.807,911 282.506,912 126.711,915 59.126,916 105.464,917 39.133,919 364.904,920 100.966,921 147.07,923 5.807,924 364.904,925 30.771,926 117.033,927 16.786,928 77.639,929 364.904,930 100.966,931 147.07,933 0.586,934 0.347,935 0.178,936 0.089,937 27,938 11,939 0.127,940 9,941 1,942 1.077,943 4.768,944 322.513,945 0.077,946 26,947 165.525,950 1,951 24.051,952 10.529,953 5.452,954 2.393,955 82.282,956 20.618,957 7.808,958 3.389,961 2.758,962 1.92,963 16.786,964 612.94,965 51.5,968 -3.418,970 25.621,975 66.829,976 75.726,977 0.263,978 0.588,979 0.774,980 0.86,981 0.88,982 0.88,983 5.205,984 1.776,985 6.098,986 5.765,987 4.71,988 5.263,989 0.824,990 6.94,991 4.621,992 6.42,993 1.475,994 7.685,995 4.655,996 4.369,997 5.223,998 0.325,999 8.122,1000 4.193,1001 7.753,1002 1.322,1003 9.392,1004 3.579,1005 6.368,1006 7.555,1007 0.413,1008 11.194,1009 6.171,1010 9.136,1011 1.129,1012 11.178,1013 3.468,1014 6.919,1015 8.441,1016 0.268,1017 13.284,1018 6.615,1019 10.563,1020 1.02,1021 13.02,1022 2.593,1023 8.385,1024 10.249,1025 0.246,1026 15.966,1027 8.055,1028 12.023,1029 1,1030 14.902,1031 2.462,1032 9.32,1033 11.52,1034 0.188,1035 18.377,1036 8.883,1037 13.508,1038 1,1039 16.814,1040 2.275,1041 10.608,1042 13.15,1043 0.157,1044 20.975,1045 10.126,1046 3.497,1047 0.891,1048 18.75,1049 2.136,1050 11.708,1051 14.578,1052 0.125,1053 23.499,1054 11.127,1055 3.118,1056 13.439,1057 20.704,1058 2.092,1059 12.941,1060 16.147,1061 0.102,1062 26.083,1063 12.297,1064 2.753,1065 10.431,1066 22.674,1067 4.753,1068 14.113,1069 17.64,1070 0.082,1071 28.648,1072 13.375,1073 2.658,1074 8.884,1075 24.655,1076 4.518,1077 15.334,1078 19.188,1079 0.067,1080 31.235,1081 14.522,1082 2.285,1083 7.514,1084 26.646,1085 3.731,1086 16.538,1087 20.708,1088 0.054,1089 33.817,1090 15.635,1091 2.079,1092 6.654,1093 28.644,1094 3.089,1095 17.762,1096 22.25,1097 0.043,1098 36.407,1099 16.777,1100 2.012,1101 6.004,1102 30.649,1103 2.813,1104 18.982,1105 23.783,1106 0.035,1107 38.996,1108 17.907,1109 20716,1110 33134,1111 26.523,1112 44.489,1113 59.11,1114 58.982,1115 59.143,1116 58.745,1117 58.705,1118 76.821,1119 2.4,1120 170.132,1121 56.242,1122 5.923,1123 6.723,1124 7.443,1125 5.479,1126 5.497,1127 7.753,1128 1.2,1129 21.309,1130 5.198,1131 13.877,1132 1.516,1133 1.512,1134 1.516,1135 1.506,1136 1.505,1137 1.97,1138 0.062,1139 4.362,1140 1.442,1141 4.159,1142 4.195,1143 4.741,1144 4.084,1145 7.715,1146 4.072,1147 4.08,1148 4.069,1149 4.112,1150 4.046,1151 6.999,1152 3.975,1153 3.873,1154 3.932,1155 3.79,1156 3.738,1157 5.135,1158 3.733,1159 3.825,1160 3.898,1161 3.751,1162 3.591,1163 4.927,1164 3.625,1165 3.663,1166 3.699,1167 3.676,1168 3.553,1169 4.716,1170 3.504,1171 3.525,1172 3.576,1173 3.398,1174 3.39,1175 4.361,1176 3.377,1177 3.301,1178 3.359,1179 3.21,1180 3.143,1181 4.255,1182 3.143,1183 3.186,1184 3.242,1185 3.054,1186 2.984,1187 4.083,1188 2.967,1189 0.126,1190 0.121,1191 0.196,1192 0.113,1193 0.09,1194 4.923,1195 0.122,1196 4.723,1197 0.021,1198 7.641,1199 0.345,1200 4.419,1201 0.082,1202 3.497,1203 4.753,1204 0.8,1205 13.439,1206 3.198,1207 1.969,1208 1.973,1209 2.084,1210 2.075,1211 1.474,1212 2.103,1213 1.96,1214 1.936,1215 2.035,1216 2.049,1217 1.289,1218 2.052,1219 1.86,1220 1.804,1221 1.995,1222 2,1223 1.178,1224 2.023,1225 1.677,1226 1.623,1227 1.885,1228 1.843,1229 1.12,1230 1.862,1231 1.536,1232 1.518,1233 1.689,1234 1.737,1235 0.905,1236 1.756,1237 1.406,1238 1.337,1239 1.582,1240 1.658,1241 0.825,1242 1.641,1243 1.326,1244 1.271,1245 1.513,1246 1.518,1247 0.739,1248 1.529,1249 1.153,1250 1.066,1251 1.49,1252 1.442,1253 0.591,1254 1.429,1255 4.369,1257 5.7,1258 3.045,1259 7.222,1260 5.283,1261 8.826,1262 7.286,1263 10.475,1265 1.699,1271 7.859,1275 0.402,1276 4.035,1280 41.593,1281 106.707,1282 239.181,1283 314.654,1284 349.408,1285 357.673,1286 357.673,1287 63.725,1288 8.298,1289 87.12,1290 95.5,1291 28,1292 12.78,1293 4.585,1294 3.755,1295 52.742,1296 201,1297 166,1298 0.125,1299 256.747,1300 431.29,1301 618.223,1302 58695,1304 24.253,1305 0.693,1306 0.596,1307 24.503,1308 20.862,1309 17.003,1310 0.436,1311 0.35,1312 12.155,1313 15.57,1314 11.758,1315 9.741,1316 17.792,1317 13.633,1318 15.49,1319 0.282,1320 0.208,1321 16.851,1322 11.445,1323 13.437,1324 0.184,1325 0.122,1326 14.801,1327 8.9,1328 10.573,1329 0.117,1330 0.07,1331 11.483,1332 6.256,1333 8.069,1334 0.076,1335 0.042,1336 8.868,1337 4.503,1338 0.207,1339 114.184,1340 0.194,1341 33.157,1342 0.318,1343 188,1344 496.89,1345 243.38,1346 506.136,1347 697.81,1348 470,1349 222,1350 496.045,1351 285.134,1352 541.876,1353 785.92,1354 507,1355 8.796} {0 CHEMBL145997,1 1.397,2 14.903,3 2.557,4 6.539,5 125.128,6 6.927,7 0.6,8 4.193,9 4.337,10 3.717,11 3.711,12 5.19,13 3.681,14 4.755,15 4.957,16 4.036,17 4.131,18 5.651,19 4.068,20 5.026,21 5.279,22 3.988,23 4.269,24 5.799,25 4.143,26 5.093,27 5.367,28 3.882,29 4.263,30 5.813,31 4.101,32 5.083,33 5.384,34 3.819,35 4.182,36 5.749,37 4.012,38 4.959,39 5.247,40 3.822,41 4.103,42 5.685,43 3.967,44 4.892,45 5.154,46 3.795,47 4.085,48 5.674,49 3.945,50 4.912,51 5.205,52 3.602,53 4.014,54 5.61,55 3.841,56 0.082,57 0.968,58 13.636,59 5.085,60 12.047,61 7.494,62 0.249,63 1.556,64 25.359,65 8.503,66 20.576,67 12.899,68 0.305,69 1.819,70 34.449,71 11.926,72 28.456,73 18.106,74 0.302,75 1.839,76 37.313,77 13.267,78 30.679,79 20.103,80 0.301,81 1.74,82 37.718,83 13.105,84 29.618,85 20.116,86 0.323,87 1.609,88 33.174,89 10.74,90 27.382,91 16.73,92 0.297,93 1.558,94 30.339,95 10.519,96 27.548,97 15.963,98 0.308,99 1.487,100 31.735,101 10.484,102 27.545,103 16.235,105 47,106 0.225,107 0.591,108 0.78,109 0.844,110 0.859,111 0.859,112 3.471,113 0.956,114 -4.17,115 -4.12,116 -3.89,119 40,121 4,125 4,127 1,140 6,141 2,142 1,143 1,144 1,149 1,150 1,158 2,164 1,169 7,171 2,172 7,176 5,178 7,182 4,184 1,186 4,189 5,193 6,195 1,197 2,199 5,203 8,206 1,208 1,211 6,215 4,218 1,220 1,222 5,225 1,226 4,229 2,231 1,233 4,236 1,237 4,242 3,244 2,249 2,254 1,256 3,259 1707,260 21.792,261 21.792,262 21.792,263 21.792,264 21.792,265 19.353,266 27.772,267 13.201,268 22.257,269 17.335,270 17.335,271 17.335,272 17.335,273 17.335,274 13.753,275 38.29,276 6.329,277 18.09,278 4.51,279 2.229,280 1.055,281 0.658,282 0.567,283 0.567,284 4.187,288 1,289 1,290 1038,291 3,294 164.979,295 316.894,298 140.379,302 2.37,303 13.354,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 462,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.926,327 6.095,328 3.69,329 2.753,330 3.731,331 0.657,332 8.884,333 2.579,334 3.905,335 2.88,336 5.509,337 3.627,338 2.676,339 3.445,341 7.438,342 2.547,343 3.647,344 2.758,345 5.338,346 3.46,347 2.504,348 2.813,350 6.961,351 2.395,352 3.432,353 2.393,354 5.139,355 3.142,356 2.194,357 2.654,359 6.312,360 2.08,361 3.254,362 2.18,363 5.092,364 2.993,365 2.02,366 2.589,368 5.992,369 1.954,370 3.2,371 1.795,372 4.514,373 2.73,374 1.776,375 2.235,377 4.655,378 1.69,379 2.902,380 1.604,381 4.134,382 2.484,383 1.499,384 2.047,386 3.483,387 1.476,388 2.742,389 1.37,390 3.642,391 2.314,392 1.329,393 1.847,395 3.152,396 1.307,397 2.5,398 1.173,399 3.474,400 2.095,401 1.131,402 1.5,404 2.55,405 1.088,406 2.428,407 1.077,408 3.414,409 1.984,410 1,411 1.403,413 2.275,414 0.983,415 2.263,416 1,417 3.32,418 1.959,419 1,420 1.207,422 2.136,423 0.956,424 2.118,425 0.959,426 3.247,427 1.865,428 0.901,429 1,431 2.106,432 0.866,433 2.004,434 0.854,435 3.19,436 1.64,437 0.696,438 0.927,440 1.628,441 0.655,442 2,443 0.647,444 3.086,445 1.524,446 0.618,447 0.857,449 1.372,450 0.556,451 14.8,452 0.477,453 0.496,454 0.016,455 39,456 1.258,457 18,458 0.581,459 21,460 0.677,461 26.956,462 0.87,463 33.2,464 0.553,465 25.634,466 0.827,467 7.502,468 0.242,469 7.846,470 0.253,473 0.257,479 0.924,480 1.432,481 0.849,482 1.137,483 0.682,484 1.01,485 1.211,486 1.141,487 1.032,488 1.027,489 0.857,490 1.012,491 1.024,492 1.005,493 1.061,494 1.045,495 0.826,496 1.055,497 0.83,498 1.021,499 1.047,500 1.111,501 0.785,502 1.106,503 0.685,504 0.942,505 0.855,506 0.963,507 0.715,508 0.934,509 1.014,510 0.893,511 0.924,512 0.875,513 0.896,514 0.887,515 0.854,516 1.06,517 1.053,518 1.128,519 0.961,520 1.116,521 0.999,522 0.933,523 1.066,524 1.018,525 1.084,526 1.045,527 4.5,528 0.078,529 2.889,530 0.819,531 0.997,532 0.764,533 0.364,534 0.242,535 0.183,536 0.148,537 16999,538 38129,539 2.221,540 48.3,541 2,542 15,543 1,544 3,545 2,547 2,548 4,550 1.728,551 2.188,552 3.834,553 0.193,555 1,559 83.841,560 1.397,561 3.678,562 4.852,563 5.248,564 5.34,565 5.34,566 3.284,567 4.374,568 4.925,569 4.043,570 1879.99,571 8.555,572 29182.7,574 1,577 354.413,578 0.824,579 4.929,580 0.129,581 0.003,582 0.061,583 0.019,584 0.027,585 0.022,586 0.01,587 0.007,588 0.007,589 0.006,590 0.291,591 0.33,592 0.88,594 166.591,595 0.083,596 -0.188,597 0.083,598 -0.063,599 0.218,600 -0.002,601 -0.076,602 0.012,603 -0.065,604 -0.019,605 0.039,606 -0.037,607 -0.097,608 0.006,609 -0.093,610 -0.038,611 0.007,612 -0.06,613 -0.021,614 -0.076,615 -0.081,616 -0.1,617 0.005,618 -0.098,619 0.1,620 -0.06,621 0.125,622 0.034,623 0.109,624 0.075,625 -0.03,626 0.053,627 0.069,628 0.096,629 0.009,630 0.094,631 0.069,632 -0.073,633 -0.08,634 -0.13,635 -0.044,636 -0.124,637 -0.067,638 -0.008,639 -0.078,640 -0.044,641 -0.17,642 -0.059,643 0.733,644 1.401,645 0.839,646 38.656,647 0.991,648 1.134,649 2.944,650 8.668,651 0.657,652 3.584,653 3.871,654 4.143,655 4.382,656 4.554,657 4.615,658 4.745,659 4.875,660 4.942,661 4.984,662 8.712,663 0.616,664 415.6,665 3.584,666 5.106,667 5.948,668 6.804,669 7.659,670 8.52,671 9.382,672 10.248,673 11.114,674 11.984,675 11.7,677 1,678 1,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 60,716 21,717 1,718 35,720 64,721 24,722 15,723 3,724 3,730 5,731 6,740 3,743 5,745 15,746 9,761 1,764 29,765 5,766 2,767 7,773 7,777 0.8,786 1,788 1,792 2,793 3,796 1,814 1,815 1,819 4,827 31,833 8,834 1,837 1,838 1,844 1,854 14.167,855 10.417,856 6.833,857 3.78,858 3.559,859 1.438,860 1.018,861 6.283,862 11.68,863 3.839,864 4.407,865 4.996,866 5.574,867 6.007,868 6.328,869 6.773,870 7.197,871 7.394,872 7.61,873 0.9,874 43,875 11.444,877 4.806,878 7.425,879 22.753,881 19.118,883 1.925,884 59.667,887 1,888 317.82,889 124.167,890 89.931,895 124.167,896 317.82,897 89.931,899 18.561,900 83.916,901 102.662,902 42.128,903 13.915,904 270.735,906 317.82,907 214.098,911 247.193,912 70.627,915 87.422,916 76.564,917 50.112,919 317.82,920 89.931,921 124.167,924 317.82,925 31.977,926 97.213,927 34.796,928 50.112,929 317.82,930 89.931,931 124.167,933 0.57,934 0.331,935 0.178,936 0.091,937 23,938 8,939 0.125,940 8,941 1,942 1.077,943 4.615,944 268.895,945 0.077,946 26,947 145.58,951 20.228,952 9.63,953 4.974,954 2.482,955 71.247,956 20.062,957 12.23,958 3.415,961 3.603,962 1.947,963 34.796,964 531.918,965 45.5,975 59.432,976 68.055,977 0.237,978 0.623,979 0.821,980 0.889,981 0.904,982 0.904,983 5.051,984 1.499,985 5.889,986 4.655,987 4.554,988 5.094,989 1.038,990 6.64,991 4.473,992 6.214,993 1.329,994 7.401,995 3.483,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.769,1001 7.488,1002 1.131,1003 9.012,1004 3.152,1005 6.084,1006 7.256,1007 0.607,1008 10.491,1009 5.927,1010 8.802,1011 1,1012 10.686,1013 2.55,1014 6.33,1015 7.822,1016 0.268,1017 12.154,1018 6.134,1019 10.154,1020 1,1021 12.403,1022 2.275,1023 7.889,1024 9.764,1025 0.359,1026 14.719,1027 7.667,1028 11.534,1029 0.901,1030 14.15,1031 2.136,1032 8.564,1033 10.806,1034 0.188,1035 16.756,1036 8.312,1037 12.936,1038 0.696,1039 15.918,1040 2.106,1041 9.857,1042 12.486,1043 0.214,1044 19.154,1045 9.583,1046 3.118,1047 0.618,1048 17.704,1049 1.628,1050 10.747,1051 13.765,1052 0.125,1053 21.355,1054 10.452,1055 2.753,1056 10.431,1057 19.503,1058 1.372,1059 11.925,1060 15.333,1061 0.129,1062 23.701,1063 11.612,1064 2.676,1065 8.884,1066 21.313,1067 4.518,1068 12.924,1069 16.728,1070 0.082,1071 25.974,1072 12.597,1073 2.504,1074 7.438,1075 23.132,1076 3.731,1077 14.057,1078 18.252,1079 0.079,1080 28.306,1081 13.713,1082 2.194,1083 6.961,1084 24.959,1085 3.445,1086 15.112,1087 19.702,1088 0.054,1089 30.612,1090 14.757,1091 2.02,1092 6.312,1093 26.792,1094 2.813,1095 16.229,1096 21.211,1097 0.048,1098 32.943,1099 15.861,1100 1.776,1101 5.992,1102 28.631,1103 2.654,1104 17.314,1105 22.688,1106 0.035,1107 35.265,1108 16.936,1109 15427,1110 23289,1111 24.731,1112 39.415,1113 52.124,1114 51.545,1115 51.576,1116 51.572,1117 51.594,1118 66.962,1119 2.915,1120 141.547,1121 49.499,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1132 1.489,1133 1.473,1134 1.474,1135 1.473,1136 1.474,1137 1.913,1138 0.083,1139 4.044,1140 1.414,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.069,1147 3.924,1148 3.984,1149 3.838,1150 3.791,1151 4.929,1152 3.795,1153 3.838,1154 3.908,1155 3.789,1156 3.688,1157 4.889,1158 3.689,1159 3.813,1160 3.875,1161 3.718,1162 3.585,1163 4.391,1164 3.622,1165 3.543,1166 3.614,1167 3.397,1168 3.389,1169 4.258,1170 3.386,1171 3.323,1172 3.398,1173 3.213,1174 3.146,1175 4.087,1176 3.153,1177 3.226,1178 3.307,1179 3.074,1180 3.047,1181 3.88,1182 3.042,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.821,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.196,1197 0.023,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.072,1210 2.064,1211 1.427,1212 2.071,1213 1.876,1214 1.825,1215 2.032,1216 2.043,1217 1.276,1218 2.042,1219 1.81,1220 1.757,1221 1.96,1222 1.961,1223 1.12,1224 1.965,1225 1.661,1226 1.606,1227 1.871,1228 1.828,1229 1.033,1230 1.845,1231 1.412,1232 1.339,1233 1.601,1234 1.671,1235 0.825,1236 1.651,1237 1.346,1238 1.279,1239 1.523,1240 1.569,1241 0.771,1242 1.565,1243 1.217,1244 1.141,1245 1.513,1246 1.442,1247 0.66,1248 1.462,1249 1.153,1250 1.064,1251 1.469,1252 1.441,1253 0.58,1254 1.429,1255 4.263,1257 5.557,1258 3.045,1259 7.038,1260 5.283,1261 8.602,1262 7.286,1263 10.211,1271 9.05,1272 3.67,1275 0.6,1276 2.608,1280 36.945,1281 83.841,1282 220.688,1283 291.129,1284 314.904,1285 320.413,1286 320.413,1287 36.892,1288 8.121,1289 74.66,1290 74.66,1291 28,1292 12.528,1293 4.459,1294 3.524,1295 44.101,1296 165,1297 157,1298 0.127,1299 225.233,1300 371.6,1301 541.329,1302 47482,1304 20.882,1305 0.674,1306 0.572,1307 20.882,1308 17.744,1309 15.348,1310 0.439,1311 0.319,1312 11.014,1313 14.796,1314 10.822,1315 8.942,1316 15.348,1317 11.157,1318 13.278,1319 0.283,1320 0.177,1321 13.278,1322 8.334,1323 11.53,1324 0.186,1325 0.101,1326 11.53,1327 6.274,1328 9.52,1329 0.121,1330 0.057,1331 9.52,1332 4.473,1333 7.34,1334 0.078,1335 0.033,1336 7.34,1337 3.137,1338 0.21,1339 95.64,1340 0.201,1341 30.191,1342 0.321,1343 164,1344 390.891,1345 176.545,1346 388.012,1347 547.99,1348 368,1349 191,1350 419.237,1351 204.988,1352 426.251,1353 615.92,1354 402,1355 7.854} {0 CHEMBL146023,1 1.449,2 17.944,3 2.721,4 7.403,5 145.494,6 6.841,7 0.525,8 4.348,9 4.492,10 3.85,11 3.861,12 5.354,13 3.827,14 4.912,15 5.114,16 4.179,17 4.279,18 5.845,19 4.21,20 5.192,21 5.438,22 4.139,23 4.428,24 6.019,25 4.306,26 5.265,27 5.535,28 4.069,29 4.444,30 6.029,31 4.283,32 5.27,33 5.562,34 3.989,35 4.369,36 6.006,37 4.196,38 5.163,39 5.456,40 3.941,41 4.271,42 5.887,43 4.118,44 5.061,45 5.332,46 3.942,47 4.24,48 5.815,49 4.096,50 5.083,51 5.356,52 3.825,53 4.219,54 5.838,55 4.056,56 0.091,57 1.11,58 16.283,59 6.167,60 12.575,61 9.027,62 0.31,63 1.777,64 30.074,65 10.434,66 28.239,67 15.683,68 0.384,69 2.106,70 41.035,71 14.061,72 42.751,73 21.189,74 0.328,75 2.165,76 44.248,77 16.165,78 41.004,79 24.276,80 0.361,81 2.066,82 45.278,83 15.999,84 47.246,85 24.241,86 0.395,87 1.894,88 40.922,89 13.539,90 39.468,91 20.913,92 0.334,93 1.8,94 36.178,95 12.715,96 30.626,97 19.29,98 0.36,99 1.785,100 37.315,101 12.577,102 37.554,103 19.225,104 7,105 54,106 0.225,107 0.565,108 0.756,109 0.831,110 0.849,111 0.849,112 3.615,113 0.968,114 -4.84,115 -4.75,116 -4.46,119 39.4,120 1,121 5,125 4,127 1,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 10,171 2,172 6,174 1,176 9,178 12,182 3,186 6,189 9,193 8,195 1,197 4,199 9,203 8,206 1,208 3,211 8,215 6,218 1,220 1,222 8,226 5,229 2,230 1,231 1,233 7,236 1,237 5,242 3,244 3,249 2,252 1,254 4,256 4,259 2750,260 24.808,261 24.808,262 24.808,263 24.808,264 24.808,265 22.19,266 34.612,267 14.922,268 25.237,269 19.802,270 19.802,271 19.802,272 19.802,273 19.802,274 15.881,275 45.192,276 7.146,277 20.494,278 4.701,279 2.514,280 1.288,281 0.803,282 0.687,283 0.687,284 4.325,289 1,290 1426,291 3.808,294 205.914,295 391.18,298 177.26,302 2.957,303 19.721,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 76.5,315 646,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.196,327 6.095,328 3.69,329 2.753,330 3.731,331 0.8,332 8.884,333 2.649,334 4.059,335 2.912,336 5.535,337 3.677,338 2.695,339 3.648,340 0.4,341 7.521,342 2.578,343 3.669,344 2.876,345 5.49,346 3.603,347 2.651,348 2.899,349 0.149,350 7.387,351 2.522,352 3.626,353 2.784,354 5.207,355 3.329,356 2.342,357 2.813,359 6.598,360 2.307,361 3.432,362 2.487,363 5.146,364 3.161,365 2.214,366 2.656,368 6.369,369 2.094,370 3.279,371 2.328,372 5.105,373 2.997,374 2.023,375 2.59,377 5.994,378 1.962,379 3.251,380 2.181,381 4.514,382 2.874,383 1.852,384 2.451,386 4.655,387 1.879,388 3.195,389 1.795,390 4.399,391 2.73,392 1.776,393 2.213,395 4.511,396 1.69,397 2.742,398 1.409,399 4.134,400 2.324,401 1.34,402 1.847,404 3.483,405 1.317,406 2.5,407 1.323,408 3.518,409 2.164,410 1.199,411 1.5,413 2.683,414 1.154,415 2.432,416 1.143,417 3.414,418 2.048,419 1.083,420 1.41,422 2.42,423 1.043,424 2.301,425 1.077,426 3.414,427 2,428 1,429 1.269,431 2.275,432 1,433 2.2,434 1,435 3.411,436 1.984,437 1,438 1.151,440 2.275,441 0.983,442 2.118,443 0.93,444 3.31,445 1.857,446 0.891,447 1,449 2.089,450 0.859,451 17.133,452 0.476,453 0.708,454 0.02,455 43.75,456 1.215,457 20,458 0.556,459 23.75,460 0.66,461 33.994,462 0.944,463 39.267,464 0.553,465 31.059,466 0.863,467 8.409,468 0.234,469 9.227,470 0.256,471 0.049,473 0.28,479 0.836,480 1.409,481 0.872,482 1.143,483 0.575,484 1.028,485 0.91,486 1.149,487 0.985,488 1.048,489 0.547,490 1.022,491 1.14,492 1.015,493 1.108,494 1.029,495 1.014,496 1.059,497 0.659,498 1.044,499 1.003,500 1.124,501 0.483,502 1.105,503 0.689,504 0.991,505 0.894,506 1.023,507 0.71,508 0.992,509 0.86,510 0.893,511 0.904,512 0.889,513 0.707,514 0.897,515 0.649,516 1.007,517 0.953,518 1.05,519 0.462,520 1.036,521 0.967,522 1.022,523 1.124,524 1.095,525 0.908,526 1.121,527 6.5,528 0.14,529 3.333,530 1.257,531 1.228,532 0.937,533 0.647,534 0.218,535 0.258,536 0.221,537 26352,538 62205,539 2.154,540 49.3,541 2,542 16,543 1,544 2,545 3,546 3,547 4,548 4,550 1.764,551 2.077,552 4.08,553 0.773,559 102.85,560 1.449,561 3.636,562 4.862,563 5.347,564 5.463,565 5.463,566 3.507,567 4.649,568 5.14,569 4.324,570 2724.09,571 8.976,572 49503,577 436.632,578 1.135,579 5.128,580 0.162,581 0.005,582 0.062,583 0.025,584 0.027,585 0.023,586 0.016,587 0.005,588 0.008,589 0.007,590 0.34,591 0.17,592 0.75,593 0.662,594 205.361,595 0.033,596 -0.141,597 0.067,598 -0.039,599 0.048,600 0.008,601 0.04,602 0.012,603 -0.019,604 -0.014,605 0.111,606 -0.022,607 -0.177,608 0.017,609 -0.133,610 -0.018,611 -0.095,612 -0.062,613 0.015,614 -0.08,615 -0.05,616 -0.099,617 0.068,618 -0.084,619 0.065,620 -0.089,621 0.074,622 -0.021,623 0.063,624 0.019,625 -0.009,626 0.039,627 0.078,628 0.086,629 0.007,630 0.091,631 0.083,632 -0.022,633 0.01,634 -0.046,635 0.031,636 -0.03,637 -0.094,638 -0.047,639 -0.149,640 -0.108,641 -0.13,642 -0.131,643 1.702,644 4.146,645 0.722,646 52.599,647 0.992,648 1.134,649 3.607,650 13.013,651 0.65,652 3.714,653 4.007,654 4.248,655 4.489,656 4.654,657 4.727,658 4.86,659 4.949,660 4.997,661 5.075,662 10.479,663 0.609,664 485.7,665 3.714,666 5.242,667 6.075,668 6.932,669 7.78,670 8.642,671 9.497,672 10.362,673 11.223,674 12.09,675 9.9,677 1,678 1,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 71,716 22,717 2,718 40,720 75,721 28,722 16,723 5,724 7,730 5,731 6,736 1,740 3,743 6,745 17,746 11,750 1,755 1,759 1,764 35,765 6,766 3,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,814 1,815 1,819 4,823 1,827 36,833 9,834 2,837 1,838 1,844 1,847 1.4,850 1,854 17.333,855 12.633,856 7.917,857 4.469,858 3.715,859 1.439,860 1.001,861 8.117,862 12.187,863 3.961,864 4.522,865 5.07,866 5.651,867 6.092,868 6.424,869 6.854,870 7.246,871 7.407,872 7.63,873 0.917,874 50,875 13.301,877 5.562,878 7.528,879 26.259,881 21.893,883 2.028,884 73,888 376.675,889 143.845,890 91.156,892 25.145,895 143.845,896 401.82,897 91.156,898 8.825,899 39.106,900 93.392,901 103.955,902 36.267,903 13.915,904 341.362,906 376.675,907 235.002,908 25.145,911 282.506,912 119.314,915 104.988,916 96.688,917 33.326,919 376.675,920 116.301,921 143.845,924 376.675,925 42.402,926 106.467,927 52.807,928 58.471,929 376.675,930 116.301,931 143.845,933 0.573,934 0.322,935 0.174,936 0.089,937 25,938 10,939 0.133,940 10,941 1,942 1.077,943 5.049,944 320.47,945 0.077,946 26,947 174.117,951 24.696,952 11.832,953 6.624,954 2.464,955 97.617,956 20.211,957 7.84,958 3.417,961 4.611,962 1.943,963 52.807,964 636.822,965 51.5,970 11.146,974 -0.035,975 70.41,976 80.51,977 0.236,978 0.591,979 0.791,980 0.869,981 0.888,982 0.888,983 5.183,984 1.852,985 6.028,986 5.994,987 4.691,988 5.209,989 2.12,990 6.777,991 4.627,992 6.354,993 1.776,994 7.542,995 4.655,996 4.111,997 4.89,998 1.668,999 7.535,1000 4.022,1001 7.634,1002 1.34,1003 9.151,1004 4.511,1005 6.225,1006 7.359,1007 2.932,1008 10.601,1009 6.096,1010 8.949,1011 1.199,1012 10.819,1013 3.483,1014 6.494,1015 7.957,1016 3.047,1017 12.235,1018 6.337,1019 10.3,1020 1.083,1021 12.527,1022 2.683,1023 8.019,1024 9.849,1025 4.042,1026 14.791,1027 7.832,1028 11.675,1029 1,1030 14.263,1031 2.42,1032 8.694,1033 10.897,1034 4.412,1035 16.806,1036 8.481,1037 13.071,1038 1,1039 16.021,1040 2.275,1041 9.969,1042 12.552,1043 5.251,1044 19.197,1045 9.733,1046 3.118,1047 0.891,1048 17.796,1049 2.275,1050 10.853,1051 13.827,1052 5.75,1053 21.384,1054 10.594,1055 2.753,1056 10.431,1057 19.584,1058 2.089,1059 12.02,1060 15.383,1061 6.501,1062 23.725,1063 11.742,1064 2.695,1065 8.884,1066 21.385,1067 4.518,1068 13.011,1069 16.772,1070 7.068,1071 25.991,1072 12.714,1073 2.651,1074 7.521,1075 23.195,1076 3.731,1077 14.135,1078 18.289,1079 7.771,1080 28.319,1081 13.822,1082 2.342,1083 7.387,1084 25.014,1085 3.648,1086 15.183,1087 19.734,1088 8.374,1089 30.621,1090 14.854,1091 2.214,1092 6.598,1093 26.84,1094 2.899,1095 16.293,1096 21.237,1097 9.051,1098 32.95,1099 15.949,1100 2.023,1101 6.369,1102 28.673,1103 2.813,1104 17.371,1105 22.711,1106 9.674,1107 35.27,1108 17.014,1109 24352,1110 37603,1111 27.622,1112 46.154,1113 59.493,1114 59.484,1115 59.294,1116 58.807,1117 58.869,1118 75.494,1119 6.512,1120 162.133,1121 56.997,1122 5.568,1123 5.533,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 12.746,1132 1.487,1133 1.487,1134 1.482,1135 1.47,1136 1.472,1137 1.887,1138 0.163,1139 4.053,1140 1.425,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 7.43,1146 4.07,1147 3.959,1148 4.004,1149 3.887,1150 3.878,1151 5.135,1152 3.875,1153 3.866,1154 3.928,1155 3.79,1156 3.713,1157 4.927,1158 3.712,1159 3.824,1160 3.898,1161 3.745,1162 3.586,1163 4.749,1164 3.624,1165 3.586,1166 3.654,1167 3.471,1168 3.403,1169 4.405,1170 3.406,1171 3.524,1172 3.581,1173 3.395,1174 3.335,1175 4.259,1176 3.346,1177 3.385,1178 3.456,1179 3.25,1180 3.202,1181 4.133,1182 3.204,1183 3.269,1184 3.338,1185 3.137,1186 3.109,1187 3.973,1188 3.108,1189 0.114,1190 0.088,1191 0.164,1192 0.102,1193 0.078,1194 4.568,1195 0.113,1196 3.533,1197 0.048,1198 6.566,1199 0.261,1200 4.099,1201 0.077,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.08,1210 2.066,1211 1.43,1212 2.074,1213 1.932,1214 1.9,1215 2.046,1216 2.046,1217 1.281,1218 2.046,1219 1.844,1220 1.782,1221 2.019,1222 2.007,1223 1.222,1224 2.015,1225 1.667,1226 1.611,1227 1.877,1228 1.839,1229 1.116,1230 1.855,1231 1.502,1232 1.443,1233 1.741,1234 1.743,1235 0.907,1236 1.742,1237 1.414,1238 1.343,1239 1.657,1240 1.671,1241 0.825,1242 1.656,1243 1.378,1244 1.311,1245 1.58,1246 1.609,1247 0.755,1248 1.613,1249 1.297,1250 1.231,1251 1.513,1252 1.493,1253 0.706,1254 1.51,1255 4.394,1257 5.694,1258 3.045,1259 7.169,1260 5.283,1261 8.727,1262 7.286,1263 10.331,1265 1.532,1271 10.107,1272 6.557,1275 0.601,1276 2.608,1280 43.24,1281 102.85,1282 258.144,1283 345.206,1284 379.612,1285 387.877,1286 387.877,1287 52.4,1288 8.472,1289 90.87,1290 90.87,1291 28,1292 12.636,1293 4.524,1294 3.644,1295 55.165,1296 230,1297 222,1298 0.112,1299 264.671,1300 446.95,1301 637.558,1302 77266,1304 24.744,1305 0.687,1306 0.581,1307 24.744,1308 20.912,1309 17.636,1310 0.441,1311 0.323,1312 12.755,1313 17.003,1314 12.475,1315 10.331,1316 17.636,1317 12.912,1318 15.644,1319 0.29,1320 0.18,1321 15.644,1322 9.715,1323 12.818,1324 0.186,1325 0.103,1326 12.818,1327 7.097,1328 10.691,1329 0.121,1330 0.058,1331 10.691,1332 5.1,1333 8.169,1334 0.079,1335 0.034,1336 8.169,1337 3.544,1338 0.189,1339 109.898,1340 0.19,1341 34.48,1342 0.278,1343 188,1344 465.315,1345 203.092,1346 458.58,1347 636.9,1348 432,1349 217,1350 478.662,1351 232.123,1352 486.29,1353 699.8,1354 458,1355 7.921} {0 CHEMBL146024,1 1.459,2 14.226,3 3.477,4 12.091,5 131.909,6 7.126,7 0.571,8 4.204,9 4.342,10 3.793,11 3.763,12 5.166,13 3.705,14 4.779,15 4.982,16 4.106,17 4.189,18 5.623,19 4.102,20 5.022,21 5.261,22 4.021,23 4.314,24 5.757,25 4.173,26 5.174,27 5.449,28 3.989,29 4.362,30 5.861,31 4.186,32 5.179,33 5.474,34 3.942,35 4.319,36 5.828,37 4.123,38 5.095,39 5.392,40 3.913,41 4.235,42 5.754,43 4.046,44 4.916,45 5.174,46 3.857,47 4.138,48 5.656,49 3.959,50 4.906,51 5.201,52 3.632,53 4.012,54 5.575,55 3.818,56 0.084,57 0.976,58 14.488,59 5.699,60 12.2,61 7.923,62 0.28,63 1.606,64 28.51,65 9.653,66 19.465,67 13.634,68 0.244,69 1.859,70 34.982,71 12.946,72 22.758,73 18.75,74 0.332,75 2.038,76 43.178,77 15.461,78 29.777,79 22.435,80 0.29,81 1.97,82 42.881,83 16.032,84 30.558,85 23.142,86 0.354,87 1.851,88 43.291,89 14.543,90 28.929,91 20.457,92 0.267,93 1.639,94 35.554,95 12.522,96 25.384,97 17.242,98 0.342,99 1.536,100 36.258,101 11.384,102 26.14,103 16.363,104 2,105 48,106 0.234,107 0.577,108 0.788,109 0.836,110 0.85,111 0.85,112 3.471,113 1.036,114 -5.01,115 -4.91,116 -4.6,119 39.3,121 4,124 1,125 4,127 1,140 4,141 3,142 1,149 3,150 1,158 2,164 1,169 6,171 2,172 8,176 3,178 8,182 4,186 3,189 5,192 1,193 7,197 1,199 7,203 6,206 1,211 6,215 6,218 1,222 5,226 5,229 2,233 2,236 1,237 5,242 2,244 3,249 1,256 4,259 1653,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.276,266 28.287,267 12.891,268 22.237,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.908,275 38.17,276 6.149,277 18.335,278 4.471,279 2.336,280 1.025,281 0.726,282 0.635,283 0.635,284 4.183,289 1,290 990,291 3.317,294 267.673,295 198.731,298 141.138,302 2.233,303 11.166,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 441,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.138,327 6.095,328 3.805,329 2.859,330 3.731,331 0.8,332 8.884,333 2.704,334 3.988,335 2.886,336 6.06,337 3.689,338 2.752,339 3.492,340 0.172,341 8.729,342 2.577,343 3.742,344 2.809,345 5.381,346 3.478,347 2.53,348 2.816,350 7.086,351 2.404,352 3.446,353 2.54,354 5.266,355 3.25,356 2.321,357 2.79,359 6.682,360 2.153,361 3.359,362 2.184,363 5.126,364 3.009,365 2.031,366 2.593,368 6,369 1.978,370 3.246,371 1.795,372 4.514,373 2.731,374 1.777,375 2.382,377 4.655,378 1.691,379 2.747,380 1.623,381 4.14,382 2.414,383 1.477,384 1.851,386 3.655,387 1.384,388 2.674,389 1.363,390 4.101,391 2.274,392 1.31,393 1.722,395 3.458,396 1.254,397 2.436,398 1.213,399 3.469,400 2.074,401 1.134,402 1.415,404 2.538,405 1.059,406 2.321,407 1.103,408 3.414,409 1.984,410 1,411 1.28,413 2.281,414 0.983,415 2.175,416 1.077,417 3.341,418 1.899,419 1,420 1.11,422 2.275,423 0.883,424 2.118,425 0.919,426 3.299,427 1.837,428 0.881,429 1,431 2.074,432 0.833,433 2.118,434 0.654,435 3.167,436 1.548,437 0.618,438 0.927,440 1.436,441 0.564,442 2,443 0.618,444 3,445 1.518,446 0.618,447 0.927,449 1.372,450 0.556,451 15.233,452 0.491,453 0.585,454 0.019,455 36.75,456 1.185,457 16,458 0.516,459 20.75,460 0.669,461 29.947,462 0.966,463 33.367,464 0.547,465 23.704,466 0.765,467 6.849,468 0.221,469 8.41,470 0.271,471 0.033,473 0.276,479 0.895,480 1.392,481 0.805,482 1.049,483 0.673,484 1.006,485 1.341,486 1.004,487 1.023,488 0.92,489 0.796,490 0.926,491 1.013,492 1.09,493 0.949,494 1.035,495 0.77,496 1.121,497 0.806,498 0.985,499 0.909,500 1.006,501 0.717,502 1.053,503 0.592,504 0.934,505 0.73,506 0.895,507 0.736,508 0.964,509 0.928,510 0.854,511 0.966,512 0.904,513 0.768,514 0.877,515 0.844,516 1.146,517 1.146,518 1.203,519 0.893,520 1.143,521 1.143,522 0.914,523 1.116,524 1.013,525 1.195,526 0.993,527 5,528 0.107,529 3.333,530 1.354,531 1.081,532 0.903,533 0.434,534 0.268,535 0.161,536 0.163,537 16520,538 37520,539 2.2,540 49.2,541 2,542 16,543 3,544 2,545 1,547 2,548 4,550 1.729,551 2.138,552 3.78,553 -0.361,559 89.019,560 1.459,561 3.595,562 4.906,563 5.205,564 5.295,565 5.295,566 3.244,567 4.438,568 4.927,569 3.993,570 1856.68,571 8.562,572 28442.5,574 1,577 361.775,578 1.058,579 4.918,580 0.143,581 0.004,582 0.069,583 0.031,584 0.027,585 0.024,586 0.012,587 0.008,588 0.006,589 0.007,590 0.333,591 0.17,592 0.88,593 0.32,594 165.804,595 0.135,596 -0.184,597 0.099,598 -0.033,599 0.252,600 -0.004,601 -0.104,602 0.138,603 -0.052,604 0.06,605 0.072,606 0.038,607 -0.129,608 -0.088,609 -0.125,610 -0.113,611 -0.022,612 -0.136,613 0.006,614 -0.056,615 -0.044,616 -0.072,617 0.058,618 -0.062,619 0.119,620 -0.063,621 0.104,622 0.022,623 0.098,624 0.033,625 0.009,626 0.068,627 0.055,628 0.087,629 0.079,630 0.111,631 0.065,632 -0.161,633 -0.099,634 -0.166,635 0.009,636 -0.142,637 -0.083,638 0.03,639 -0.088,640 -0.038,641 -0.179,642 -0.024,643 0.624,644 0.926,645 0.806,646 36.633,647 0.988,648 1.129,649 3.779,650 14.28,651 0.669,652 3.584,653 3.892,654 4.174,655 4.419,656 4.533,657 4.654,658 4.779,659 4.875,660 4.927,661 4.984,662 8.457,663 0.617,664 434.67,665 3.584,666 5.118,667 5.969,668 6.834,669 7.697,670 8.567,671 9.434,672 10.307,673 11.178,674 12.053,675 9.8,678 2,683 2,685 2,687 2,688 9,689 2,690 1,692 1,693 3,694 1,695 20,714 61,716 20,717 1,718 35,720 65,721 24,722 14,723 3,724 3,730 5,731 6,740 3,743 5,745 14,746 10,764 30,765 4,766 1,767 7,768 1,773 6,777 0.8,788 1,792 3,793 2,796 1,815 2,819 4,821 1,823 1,827 31,833 8,837 1,838 2,842 1,844 1,854 14.5,855 11,856 6.778,857 3.794,858 3.291,859 1.408,860 1.014,861 6.487,862 11.367,863 3.829,864 4.404,865 4.993,866 5.573,867 5.905,868 6.32,869 6.771,870 7.187,871 7.377,872 7.598,873 1,874 43,875 11.465,877 4.816,878 7.371,879 22.989,881 19.481,883 1.871,884 58,888 341.362,889 151.568,890 58.259,894 31.278,895 120.29,896 341.362,897 58.259,898 8.396,899 18.561,900 62.251,901 74.105,902 36.634,903 37.457,904 313.784,906 341.362,907 178.549,909 31.278,911 270.735,912 70.627,915 60.731,916 84.492,917 33.326,918 31.278,919 341.362,920 58.259,921 151.568,924 341.362,925 63.684,926 96.032,927 16.786,928 33.326,929 341.362,930 58.259,931 151.568,933 0.577,934 0.339,935 0.183,936 0.085,937 24,938 9,939 0.123,940 8,941 1,942 1.08,943 4.547,944 272.763,945 0.08,946 25,947 145.58,948 1,951 20.866,952 9.638,953 4.919,954 2.501,955 39.575,956 18.837,957 7.843,958 3.426,960 1.793,961 3.948,962 1.954,963 16.786,964 551.189,965 45,975 60.29,976 68.892,977 0.246,978 0.606,979 0.827,980 0.878,981 0.893,982 0.893,983 5.056,984 1.477,985 5.927,986 4.655,987 4.575,988 5.091,989 1.242,990 6.703,991 4.473,992 6.228,993 1.31,994 7.459,995 3.655,996 4.007,997 4.732,998 0.57,999 7.516,1000 3.878,1001 7.51,1002 1.134,1003 9.09,1004 3.458,1005 6.133,1006 7.254,1007 0.883,1008 10.605,1009 5.95,1010 8.832,1011 1,1012 10.783,1013 2.538,1014 6.463,1015 7.879,1016 0.581,1017 12.287,1018 6.248,1019 10.191,1020 1,1021 12.515,1022 2.281,1023 7.97,1024 9.763,1025 0.68,1026 14.853,1027 7.718,1028 11.577,1029 0.881,1030 14.275,1031 2.275,1032 8.703,1033 10.848,1034 0.515,1035 16.887,1036 8.423,1037 12.983,1038 0.618,1039 16.055,1040 2.074,1041 9.965,1042 12.486,1043 0.541,1044 19.282,1045 9.656,1046 3.118,1047 0.618,1048 17.848,1049 1.436,1050 10.889,1051 13.791,1052 0.441,1053 21.471,1054 10.557,1055 2.859,1056 10.431,1057 19.653,1058 1.372,1059 12.05,1060 15.335,1061 0.438,1062 23.809,1063 11.696,1064 2.752,1065 8.884,1066 21.467,1067 4.518,1068 13.066,1069 16.744,1070 0.373,1071 26.069,1072 12.695,1073 2.53,1074 8.729,1075 23.288,1076 3.731,1077 14.189,1078 18.255,1079 0.358,1080 28.392,1081 13.799,1082 2.321,1083 7.086,1084 25.116,1085 3.492,1086 15.251,1087 19.712,1088 0.314,1089 30.687,1090 14.846,1091 2.031,1092 6.682,1093 26.948,1094 2.816,1095 16.362,1096 21.213,1097 0.296,1098 33.009,1099 15.942,1100 1.777,1101 6,1102 28.785,1103 2.79,1104 17.448,1105 22.694,1106 0.264,1107 35.322,1108 17.015,1109 15018,1110 22822,1111 24.444,1112 40.819,1113 52.89,1114 51.722,1115 52.103,1116 51.994,1117 52.03,1118 66.702,1119 3.778,1120 145.86,1121 49.233,1122 5.568,1123 5.197,1124 6.18,1125 5.172,1126 5.118,1127 7.518,1128 1.605,1129 17.096,1130 5.062,1131 7.461,1132 1.511,1133 1.478,1134 1.489,1135 1.486,1136 1.487,1137 1.906,1138 0.108,1139 4.167,1140 1.407,1141 4.154,1142 4.192,1143 4.207,1144 4.062,1145 5.135,1146 4.07,1147 3.937,1148 3.989,1149 4.111,1150 3.915,1151 4.927,1152 3.846,1153 3.835,1154 3.905,1155 3.791,1156 3.713,1157 4.675,1158 3.7,1159 3.807,1160 3.846,1161 3.763,1162 3.586,1163 4.372,1164 3.623,1165 3.553,1166 3.622,1167 3.434,1168 3.397,1169 4.257,1170 3.393,1171 3.363,1172 3.442,1173 3.27,1174 3.179,1175 4.095,1176 3.178,1177 3.248,1178 3.325,1179 3.123,1180 3.069,1181 3.884,1182 3.058,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.684,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.197,1197 0.026,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.073,1210 2.064,1211 1.439,1212 2.07,1213 1.863,1214 1.801,1215 2.031,1216 2.041,1217 1.28,1218 2.041,1219 1.685,1220 1.63,1221 1.888,1222 1.859,1223 1.124,1224 1.873,1225 1.593,1226 1.547,1227 1.782,1228 1.753,1229 1.012,1230 1.765,1231 1.409,1232 1.338,1233 1.595,1234 1.657,1235 0.825,1236 1.639,1237 1.346,1238 1.324,1239 1.554,1240 1.53,1241 0.76,1242 1.543,1243 1.308,1244 1.267,1245 1.513,1246 1.451,1247 0.639,1248 1.483,1249 1.2,1250 1.113,1251 1.48,1252 1.442,1253 0.58,1254 1.429,1255 4.263,1257 5.572,1258 3.434,1259 7.059,1260 5.638,1261 8.627,1262 7.591,1263 10.243,1265 2.281,1271 9.522,1275 0.709,1276 5.186,1280 37.637,1281 89.019,1282 219.297,1283 299.246,1284 317.51,1285 323.02,1286 323.02,1287 36.872,1288 8.075,1289 52.98,1290 81.22,1291 27,1292 12.593,1293 4.392,1294 3.459,1295 44.061,1296 161,1297 138,1298 0.131,1299 232.497,1300 381.75,1301 559.053,1302 43588,1304 21.045,1305 0.679,1306 0.609,1307 21.399,1308 18.891,1309 15.259,1310 0.436,1311 0.345,1312 11.091,1313 14.241,1314 10.731,1315 8.881,1316 15.759,1317 12.091,1318 13.454,1319 0.28,1320 0.196,1321 13.952,1322 9.416,1323 11.732,1324 0.183,1325 0.114,1326 12.265,1327 7.313,1328 9.774,1329 0.119,1330 0.066,1331 10.339,1332 5.404,1333 6.905,1334 0.075,1335 0.037,1336 7.183,1337 3.429,1338 0.215,1339 99.856,1340 0.202,1341 30.026,1342 0.334,1343 166,1344 383.419,1345 196.127,1346 401.405,1347 562.65,1348 380,1349 195,1350 412.533,1351 223.16,1352 435.345,1353 628.03,1354 407,1355 8.601} {0 CHEMBL146129,1 1.453,2 16.314,3 3.561,4 12.682,5 137.771,6 6.714,7 0.41,8 4.349,9 4.48,10 3.827,11 3.861,12 5.326,13 3.826,14 4.94,15 5.124,16 4.176,17 4.298,18 5.886,19 4.225,20 5.247,21 5.493,22 4.159,23 4.459,24 6.05,25 4.328,26 5.325,27 5.595,28 4.082,29 4.464,30 6.094,31 4.305,32 5.306,33 5.578,34 4.079,35 4.434,36 6.086,37 4.277,38 5.3,39 5.572,40 4.051,41 4.396,42 6.103,43 4.242,44 5.223,45 5.5,46 3.993,47 4.314,48 6.019,49 4.163,50 5.114,51 5.389,52 3.887,53 4.217,54 5.876,55 4.065,56 0.074,57 1.037,58 16.765,59 6.713,60 11.036,61 9.397,62 0.444,63 1.727,64 31.61,65 11.4,66 41.133,67 16.533,68 0.419,69 2.158,70 43.629,71 15.471,72 43.308,73 22.986,74 0.446,75 2.215,76 47.652,77 17.031,78 54.034,79 25.169,80 0.363,81 2.133,82 46.674,83 17.028,84 52.214,85 25.021,86 0.46,87 2.097,88 46.855,89 16.322,90 57.043,91 24.038,92 0.482,93 1.949,94 43.489,95 14.93,96 55.715,97 22.22,98 0.382,99 1.802,100 38.735,101 12.851,102 37.095,103 19.669,104 6,105 53,106 0.227,107 0.562,108 0.765,109 0.85,110 0.874,111 0.874,112 3.588,113 0.988,114 -3.17,115 -3.16,116 -3.04,119 39.4,121 5,125 5,127 3,140 8,141 4,149 1,150 1,157 1,169 14,171 1,172 3,174 2,176 7,178 16,182 2,185 1,186 7,189 11,193 3,195 1,197 8,199 9,203 4,208 8,211 10,215 6,218 1,220 3,222 8,226 7,229 1,230 1,231 2,233 4,237 6,240 1,242 4,244 3,249 3,252 1,254 2,256 7,259 2377,260 24.264,261 24.264,262 24.264,263 24.264,264 24.264,265 22.254,266 31.04,267 14.503,268 24.68,269 19.246,270 19.246,271 19.246,272 19.246,273 19.246,274 16.184,275 43.929,276 6.877,277 19.915,278 4.697,279 2.558,280 1.258,281 0.719,282 0.563,283 0.563,284 4.298,289 1,290 1260,291 3.674,294 197.811,295 369.582,298 166.393,302 2.552,303 27.131,306 1,307 0.67,308 0.83,309 1,310 1,311 1,312 1,313 0.93,314 75,315 571,316 4.551,317 3.681,318 6.547,319 4.084,320 3.096,321 4.504,322 2.186,323 10.365,324 3.058,325 4.082,326 3.182,327 6.157,328 3.85,329 2.876,330 3.55,331 0.8,332 9.114,333 2.803,334 3.886,335 3.175,336 5.655,337 3.682,338 2.73,339 3.172,340 0.657,341 7.904,342 2.599,343 3.666,344 2.87,345 5.478,346 3.557,347 2.604,348 2.925,349 0.366,350 7.335,351 2.484,352 3.642,353 2.744,354 5.235,355 3.3,356 2.319,357 2.692,359 6.613,360 2.258,361 3.359,362 2.394,363 5.135,364 3.139,365 2.189,366 2.658,368 6.369,369 2.071,370 3.276,371 2.278,372 5.084,373 2.947,374 1.968,375 2.393,377 5.918,378 1.919,379 3.029,380 2.071,381 4.553,382 2.761,383 1.78,384 2.109,386 4.736,387 1.743,388 2.971,389 1.896,390 4.375,391 2.679,392 1.695,393 2.005,395 4.272,396 1.651,397 2.724,398 1.492,399 4.151,400 2.313,401 1.326,402 1.809,404 3.511,405 1.307,406 2.5,407 1.369,408 3.5,409 2.142,410 1.165,411 1.5,413 2.651,414 1.134,415 2.474,416 1.346,417 3.454,418 2.061,419 1.093,420 1.469,422 2.486,423 1.056,424 2.322,425 1.156,426 3.414,427 2,428 1,429 1.287,431 2.275,432 1,433 2.031,434 1.077,435 3.276,436 1.984,437 1,438 1,440 2.136,441 0.983,442 2,443 1,444 3.247,445 1.678,446 0.748,447 0.916,449 1.763,450 0.686,451 16.6,452 0.474,453 0.67,454 0.019,455 38.25,456 1.093,457 15.5,458 0.443,459 22.75,460 0.65,461 35.906,462 1.026,463 39.2,464 0.552,465 28.024,466 0.801,467 7.363,468 0.21,469 9.811,470 0.28,471 0.04,473 0.295,479 0.911,480 1.342,481 0.904,482 1.131,483 0.74,484 1.028,485 0.872,486 1.186,487 1.045,488 1.078,489 0.638,490 1.077,491 0.807,492 1.069,493 1.054,494 1.063,495 0.656,496 1.079,497 0.793,498 0.991,499 1.018,500 1.036,501 0.756,502 1.051,503 0.736,504 1.04,505 0.929,506 1.053,507 0.782,508 1.024,509 0.919,510 0.996,511 0.983,512 1.016,513 0.861,514 1.011,515 0.849,516 0.982,517 0.928,518 0.959,519 0.91,520 0.957,521 0.761,522 1.062,523 1.007,524 1.045,525 0.597,526 1.043,527 6.5,528 0.118,529 3.111,530 1.986,531 1.227,532 0.862,533 0.628,534 0.404,535 0.327,536 0.153,537 22775,538 52555,539 2.158,540 50.7,541 2,542 21,543 1,545 4,547 4,548 4,550 1.76,551 2.079,552 3.952,553 1.463,559 103.154,560 1.453,561 3.592,562 4.892,563 5.431,564 5.586,565 5.586,566 3.397,567 4.593,568 5.101,569 4.161,570 2475.52,571 8.915,572 42266.7,577 436.632,578 1.15,579 5.086,580 0.167,581 0.005,582 0.059,583 0.04,584 0.027,585 0.019,586 0.015,587 0.01,588 0.009,589 0.005,590 0.355,591 0.17,592 0.75,593 0.529,594 195.392,595 -0.059,596 -0.076,597 0.05,598 0.013,599 -0.043,600 0.042,601 0.089,602 -0.015,603 -0.069,604 -0.02,605 0.069,606 -0.059,607 -0.046,608 -0.015,609 -0.094,610 -0.054,611 -0.014,612 -0.075,613 -0.039,614 -0.005,615 -0.059,616 -0.041,617 -0.025,618 -0.05,619 0.006,620 -0.084,621 0.026,622 -0.048,623 0.011,624 -0.014,625 -0.029,626 -0.039,627 -0.008,628 -0.035,629 -0.013,630 -0.021,631 0.024,632 -0.028,633 0.048,634 0.015,635 -0.02,636 0.028,637 0.005,638 -0.055,639 -0.039,640 -0.083,641 0.004,642 -0.065,643 1.984,644 4.299,645 0.743,646 46.988,647 0.993,648 1.13,649 1.939,650 3.761,651 0.642,652 3.689,653 3.989,654 4.248,655 4.5,656 4.663,657 4.682,658 4.836,659 4.97,660 5.037,661 5.124,662 9.437,663 0.601,664 476.68,665 3.689,666 5.22,667 6.061,668 6.925,669 7.779,670 8.645,671 9.505,672 10.372,673 11.236,674 12.105,675 5.6,677 1,678 1,682 1,683 1,687 2,688 9,690 1,693 3,695 16,714 71,716 17,717 2,718 39,720 75,721 28,722 14,723 4,724 8,730 5,731 6,736 1,740 4,743 8,745 15,746 13,750 1,755 1,759 1,764 36,765 6,766 4,767 7,773 4,777 0.8,778 3,779 1,788 1,792 2,793 3,796 1,814 1,815 1,816 1,817 1,819 4,827 35,832 1,833 10,834 2,835 1,837 3,838 1,847 4.2,848 1,850 1,852 1,854 16.833,855 11.983,856 7.75,857 4.456,858 2.924,859 1.349,860 0.97,861 8.042,862 11.295,863 3.892,864 4.416,865 4.937,866 5.482,867 5.933,868 6.137,869 6.51,870 6.848,871 6.861,872 7.072,873 0.909,874 50,875 13.017,877 5.562,878 7.586,879 25.7,881 21.951,883 2.086,884 73,888 376.675,889 129.476,890 55.931,892 78.828,895 129.476,896 455.503,897 55.931,899 41.593,900 145.551,901 25.145,902 43.039,903 20.678,904 364.904,906 376.675,907 185.407,908 78.828,911 282.506,912 130.314,913 42.683,915 79.514,916 105.894,919 376.675,920 134.76,921 129.476,924 376.675,925 44.618,926 87.982,927 52.807,928 78.828,929 376.675,930 134.76,931 129.476,933 0.573,934 0.333,935 0.183,936 0.095,937 25,938 10,939 0.133,940 10,941 1,942 1.077,943 4.859,944 316.822,945 0.077,946 26,947 171.525,951 24.324,952 11.572,953 6.252,954 2.45,955 117.974,956 18.898,958 3.411,961 3.736,963 95.49,964 640.911,965 48,970 11.299,974 -0.317,975 70.527,976 80.265,977 0.236,978 0.584,979 0.796,980 0.883,981 0.908,982 0.908,983 5.13,984 1.78,985 6.019,986 5.918,987 4.673,988 5.103,989 2.43,990 6.781,991 4.608,992 6.282,993 1.695,994 7.541,995 4.736,996 4.111,997 4.771,998 1.847,999 7.554,1000 4.028,1001 7.556,1002 1.326,1003 9.158,1004 4.272,1005 6.221,1006 7.199,1007 3.515,1008 10.631,1009 6.099,1010 8.863,1011 1.165,1012 10.832,1013 3.511,1014 6.509,1015 7.783,1016 3.598,1017 12.266,1018 6.365,1019 10.206,1020 1.093,1021 12.546,1022 2.651,1023 8.032,1024 9.671,1025 4.908,1026 14.828,1027 7.863,1028 11.575,1029 1,1030 14.286,1031 2.486,1032 8.724,1033 10.717,1034 5.29,1035 16.838,1036 8.536,1037 12.964,1038 1,1039 16.047,1040 2.275,1041 9.998,1042 12.381,1043 6.387,1044 19.227,1045 9.791,1046 3.096,1047 0.748,1048 17.824,1049 2.136,1050 10.892,1051 13.663,1052 6.93,1053 21.406,1054 10.67,1055 2.876,1056 10.365,1057 19.614,1058 1.763,1059 12.058,1060 15.231,1061 7.902,1062 23.739,1063 11.821,1064 2.73,1065 9.114,1066 21.414,1067 4.504,1068 13.054,1069 16.63,1070 8.539,1071 25.994,1072 12.805,1073 2.604,1074 7.904,1075 23.224,1076 3.55,1077 14.175,1078 18.158,1079 9.436,1080 28.313,1081 13.913,1082 2.319,1083 7.335,1084 25.042,1085 3.172,1086 15.222,1087 19.612,1088 10.13,1089 30.604,1090 14.951,1091 2.189,1092 6.613,1093 26.867,1094 2.925,1095 16.327,1096 21.124,1097 10.981,1098 32.922,1099 16.045,1100 1.968,1101 6.369,1102 28.698,1103 2.692,1104 17.402,1105 22.604,1106 11.71,1107 35.231,1108 17.111,1109 21008,1110 32093,1111 26.929,1112 45.569,1113 57.577,1114 58.918,1115 58.65,1116 57.337,1117 57.458,1118 70.404,1119 8.02,1120 159.853,1121 55.549,1122 5.551,1123 5.681,1124 6.349,1125 5.132,1126 5.096,1127 7.504,1128 3.889,1129 17.024,1130 5.058,1131 12.028,1132 1.476,1133 1.511,1134 1.504,1135 1.47,1136 1.473,1137 1.805,1138 0.206,1139 4.099,1140 1.424,1141 4.145,1142 4.179,1143 4.098,1144 4.065,1145 7.435,1146 4.069,1147 3.958,1148 4.004,1149 3.877,1150 3.874,1151 6.456,1152 3.87,1153 3.84,1154 3.895,1155 3.728,1156 3.702,1157 4.961,1158 3.699,1159 3.796,1160 3.838,1161 3.717,1162 3.601,1163 4.754,1164 3.615,1165 3.572,1166 3.634,1167 3.445,1168 3.423,1169 4.547,1170 3.421,1171 3.454,1172 3.508,1173 3.341,1174 3.268,1175 4.385,1176 3.276,1177 3.365,1178 3.425,1179 3.222,1180 3.182,1181 4.274,1182 3.186,1183 3.111,1184 3.206,1185 2.955,1186 2.941,1187 4.078,1188 2.91,1189 0.117,1190 0.094,1191 0.168,1192 0.105,1193 0.079,1194 4.551,1195 0.115,1196 3.681,1197 0.056,1198 6.547,1199 0.266,1200 4.084,1201 0.078,1202 3.096,1203 4.504,1204 2.186,1205 10.365,1206 3.058,1207 1.973,1208 1.95,1209 2.086,1210 2.07,1211 1.431,1212 2.079,1213 1.932,1214 1.899,1215 2.064,1216 2.043,1217 1.321,1218 2.052,1219 1.832,1220 1.773,1221 2.016,1222 1.98,1223 1.225,1224 1.995,1225 1.667,1226 1.613,1227 1.882,1228 1.83,1229 1.177,1230 1.849,1231 1.546,1232 1.486,1233 1.749,1234 1.752,1235 1.012,1236 1.755,1237 1.432,1238 1.37,1239 1.66,1240 1.664,1241 0.837,1242 1.666,1243 1.329,1244 1.262,1245 1.567,1246 1.564,1247 0.825,1248 1.564,1249 1.16,1250 1.156,1251 1.513,1252 1.55,1253 0.746,1254 1.476,1255 4.369,1257 5.673,1258 3.045,1259 7.159,1260 5.352,1261 8.724,1262 7.38,1263 10.332,1270 9.845,1271 9.049,1272 6.526,1273 5.02,1275 0.516,1276 2.567,1280 42.659,1281 103.154,1282 255.041,1283 347.348,1284 385.612,1285 396.632,1286 396.632,1287 59.104,1288 8.371,1289 89.62,1290 89.62,1291 28,1292 12.65,1293 4.17,1294 3.322,1295 52.677,1296 203,1297 175,1298 0.124,1299 258.136,1300 447.71,1301 621.611,1302 64876,1304 24.037,1305 0.687,1306 0.577,1307 24.037,1308 20.21,1309 17.174,1310 0.44,1311 0.329,1312 12.685,1313 16.597,1314 12.468,1315 10.247,1316 17.174,1317 12.841,1318 15.08,1319 0.285,1320 0.186,1321 15.08,1322 9.87,1323 12.771,1324 0.185,1325 0.107,1326 12.771,1327 7.381,1328 10.671,1329 0.12,1330 0.061,1331 10.671,1332 5.421,1333 8.371,1334 0.08,1335 0.036,1336 8.371,1337 3.798,1338 0.204,1339 107.121,1340 0.193,1341 33.261,1342 0.313,1343 184,1344 456.264,1345 199.438,1346 438.235,1347 600.53,1348 414,1349 214,1350 433.353,1351 228.916,1352 439.112,1353 643.13,1354 415,1355 8.212} {0 CHEMBL146131,1 1.428,2 15.706,3 3.09,4 9.547,5 138.374,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.302,13 3.787,14 4.874,15 5.07,16 4.119,17 4.253,18 5.76,19 4.179,20 5.173,21 5.425,22 4.104,23 4.409,24 5.954,25 4.276,26 5.267,27 5.54,28 4.047,29 4.427,30 6.004,31 4.266,32 5.272,33 5.557,34 4.035,35 4.387,36 6.001,37 4.223,38 5.25,39 5.535,40 4.014,41 4.328,42 6.036,43 4.18,44 5.166,45 5.447,46 3.943,47 4.265,48 5.964,49 4.114,50 5.07,51 5.353,52 3.765,53 4.194,54 5.781,55 4.02,56 0.103,57 1.046,58 15.933,59 6.109,60 13.614,61 8.832,62 0.275,63 1.705,64 29.163,65 10.296,66 24.079,67 15.298,68 0.373,69 2.06,70 40.248,71 14.239,72 34.962,73 21.466,74 0.373,75 2.138,76 44.633,77 16.13,78 41.836,79 24.079,80 0.343,81 2.095,82 45.077,83 16.143,84 39.499,85 24.248,86 0.453,87 2.015,88 44.782,89 14.851,90 48.811,91 22.415,92 0.495,93 1.887,94 41.101,95 13.696,96 49.953,97 20.692,98 0.341,99 1.746,100 36.832,101 12.657,102 32.629,103 19.332,104 3,105 51,106 0.224,107 0.564,108 0.756,109 0.835,110 0.855,111 0.855,112 3.56,113 0.976,114 -4.79,115 -4.7,116 -4.41,119 39.7,121 5,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 6,178 14,182 3,185 1,186 5,189 10,193 6,195 1,197 4,199 8,203 6,206 1,208 6,211 6,215 5,218 1,220 4,222 7,226 4,229 3,231 2,233 6,236 1,237 5,242 3,244 5,249 2,254 2,256 4,259 2166,260 23.817,261 23.817,262 23.817,263 23.817,264 23.817,265 21.378,266 28.663,267 14.374,268 24.238,269 18.763,270 18.763,271 18.763,272 18.763,273 18.763,274 15.19,275 37.699,276 6.816,277 19.471,278 4.66,279 2.5,280 1.272,281 0.769,282 0.647,283 0.647,284 4.272,289 1,290 1186,291 3.606,294 188.494,295 361.368,298 161.505,302 2.464,303 18.783,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 72,315 534,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.978,327 6.095,328 3.718,329 2.758,330 3.731,331 0.4,332 8.884,333 2.664,334 3.942,335 2.886,336 5.676,337 3.689,338 2.748,339 3.457,341 7.967,342 2.578,343 3.687,344 2.828,345 5.438,346 3.545,347 2.577,348 2.813,350 7.25,351 2.494,352 3.444,353 2.528,354 5.202,355 3.256,356 2.305,357 2.704,359 6.576,360 2.183,361 3.379,362 2.191,363 5.125,364 3.028,365 2.047,366 2.592,368 6.001,369 2.005,370 3.248,371 2.097,372 4.82,373 2.914,374 1.947,375 2.425,377 5.432,378 1.875,379 3.037,380 1.794,381 4.514,382 2.73,383 1.775,384 2.112,386 4.655,387 1.69,388 2.804,389 1.525,390 4.133,391 2.412,392 1.417,393 1.881,395 3.481,396 1.409,397 2.74,398 1.37,399 3.586,400 2.31,401 1.326,402 1.839,404 3.023,405 1.304,406 2.5,407 1.171,408 3.471,409 2.088,410 1.123,411 1.5,413 2.533,414 1.081,415 2.426,416 1.077,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.255,425 1.02,426 3.317,427 1.984,428 1,429 1.196,431 2.136,432 0.983,433 2.118,434 1,435 3.247,436 1.861,437 0.896,438 1,440 2.098,441 0.862,442 2,443 0.923,444 3.179,445 1.565,446 0.618,447 0.927,449 1.472,450 0.58,451 16.233,452 0.477,453 0.564,454 0.017,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 32.817,462 0.965,463 37.167,464 0.547,465 27.991,466 0.823,467 7.734,468 0.227,469 9.046,470 0.266,471 0.021,473 0.265,479 0.963,480 1.363,481 0.898,482 1.12,483 0.877,484 1.022,485 1.102,486 1.151,487 1.059,488 1.061,489 0.871,490 1.053,491 0.891,492 1.028,493 1.057,494 1.052,495 0.681,496 1.065,497 0.848,498 1.004,499 1.009,500 1.062,501 0.849,502 1.058,503 0.736,504 1.023,505 0.901,506 1.047,507 0.754,508 1.003,509 1.2,510 0.94,511 0.954,512 0.935,513 1.326,514 0.928,515 1.103,516 0.926,517 0.992,518 0.943,519 1.265,520 0.961,521 0.868,522 0.976,523 1.078,524 1.051,525 0.79,526 1.077,527 5.5,528 0.115,529 2.889,530 1.444,531 1.157,532 0.819,533 0.647,534 0.249,535 0.208,536 0.181,537 21322,538 47356,539 2.182,540 50,541 2,542 18,543 1,544 2,545 3,547 4,548 4,550 1.753,551 2.125,552 3.914,553 0.782,559 97.082,560 1.428,561 3.587,562 4.815,563 5.319,564 5.44,565 5.44,566 3.363,567 4.514,568 5.061,569 4.125,570 2313.97,571 8.83,572 38684.3,577 413.947,578 1.012,579 5.053,580 0.145,581 0.004,582 0.057,583 0.03,584 0.026,585 0.019,586 0.015,587 0.006,588 0.007,589 0.006,590 0.316,591 0.17,592 0.88,593 0.449,594 188.133,595 0.02,596 -0.108,597 0.064,598 -0.012,599 0.022,600 0.02,601 -0.079,602 0.015,603 -0.081,604 -0.023,605 -0.054,606 -0.05,607 -0.047,608 0.002,609 -0.089,610 -0.04,611 0.013,612 -0.063,613 -0.021,614 -0.048,615 -0.042,616 -0.053,617 -0.014,618 -0.052,619 0.072,620 -0.1,621 0.067,622 -0.048,623 0.092,624 0.001,625 -0.039,626 -0.019,627 0.048,628 0.031,629 -0.014,630 0.045,631 0.021,632 0.015,633 0.007,634 0.025,635 -0.048,636 0.012,637 -0.062,638 -0.011,639 -0.107,640 -0.071,641 -0.104,642 -0.089,643 1.321,644 3.84,645 0.765,646 43.042,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.951,654 4.22,655 4.466,656 4.635,657 4.691,658 4.828,659 4.949,660 4.984,661 5.024,662 9.25,663 0.606,664 458.67,665 3.664,666 5.187,667 6.028,668 6.887,669 7.741,670 8.605,671 9.466,672 10.333,673 11.198,674 12.069,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 7,745 16,746 11,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 34,832 1,833 9,834 1,837 2,838 1,844 1,847 1.5,848 1,854 16,855 11.583,856 7.583,857 4.25,858 3.48,859 1.422,860 0.982,861 7.592,862 11.736,863 3.902,864 4.454,865 5.029,866 5.604,867 6.032,868 6.351,869 6.793,870 7.212,871 7.395,872 7.609,873 1,874 48,875 12.588,877 5.302,878 7.485,879 24.974,881 21.09,883 1.985,884 67.5,888 364.904,889 134.929,890 73.146,892 42.683,895 134.929,896 407.588,897 73.146,899 18.99,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 208.075,908 42.683,911 270.735,912 94.169,913 42.683,915 76.047,916 98.702,917 33.326,919 364.904,920 115.829,921 134.929,924 364.904,925 32.835,926 107.118,927 34.796,928 76.009,929 364.904,930 115.829,931 134.929,933 0.568,934 0.332,935 0.181,936 0.094,937 24,938 9,939 0.139,940 10,941 1,942 1.077,943 4.809,944 304.087,945 0.077,946 26,947 160.974,951 23.097,952 11.175,953 5.892,954 2.454,955 97.144,956 22.487,957 7.835,958 3.413,961 3.729,962 1.94,963 77.48,964 615.663,965 48.5,975 67.309,976 77.012,977 0.235,978 0.589,979 0.791,980 0.874,981 0.894,982 0.894,983 5.119,984 1.775,985 5.974,986 5.432,987 4.635,988 5.142,989 0.824,990 6.73,991 4.564,992 6.278,993 1.417,994 7.489,995 4.655,996 4.007,997 4.732,998 0.325,999 7.496,1000 3.899,1001 7.551,1002 1.326,1003 9.103,1004 3.481,1005 6.172,1006 7.283,1007 0.413,1008 10.583,1009 6.035,1010 8.861,1011 1.123,1012 10.777,1013 3.023,1014 6.431,1015 7.846,1016 0.268,1017 12.228,1018 6.254,1019 10.209,1020 1,1021 12.492,1022 2.533,1023 7.976,1024 9.778,1025 0.246,1026 14.794,1027 7.78,1028 11.584,1029 1,1030 14.235,1031 2.275,1032 8.655,1033 10.817,1034 0.188,1035 16.814,1036 8.425,1037 12.981,1038 0.896,1039 16,1040 2.136,1041 9.94,1042 12.493,1043 0.157,1044 19.21,1045 9.693,1046 3.118,1047 0.618,1048 17.781,1049 2.098,1050 10.831,1051 13.77,1052 0.125,1053 21.398,1054 10.557,1055 2.758,1056 10.431,1057 19.575,1058 1.472,1059 12.003,1060 15.337,1061 0.102,1062 23.739,1063 11.714,1064 2.748,1065 8.884,1066 21.379,1067 4.518,1068 13.001,1069 16.73,1070 0.082,1071 26.003,1072 12.692,1073 2.577,1074 7.967,1075 23.193,1076 3.731,1077 14.128,1078 18.254,1079 0.067,1080 28.331,1081 13.804,1082 2.305,1083 7.25,1084 25.015,1085 3.457,1086 15.18,1087 19.704,1088 0.054,1089 30.631,1090 14.84,1091 2.047,1092 6.576,1093 26.844,1094 2.813,1095 16.293,1096 21.212,1097 0.043,1098 32.959,1099 15.939,1100 1.947,1101 6.001,1102 28.678,1103 2.704,1104 17.374,1105 22.689,1106 0.035,1107 35.277,1108 17.006,1109 19550,1110 29327,1111 26.523,1112 44.148,1113 56.07,1114 56.019,1115 56.246,1116 55.667,1117 55.73,1118 71.094,1119 2.4,1120 153.336,1121 53.733,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 8.167,1132 1.476,1133 1.474,1134 1.48,1135 1.465,1136 1.467,1137 1.871,1138 0.063,1139 4.035,1140 1.414,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 6.456,1146 4.07,1147 3.952,1148 4,1149 3.864,1150 3.873,1151 5.135,1152 3.866,1153 3.859,1154 3.918,1155 3.79,1156 3.715,1157 4.927,1158 3.714,1159 3.823,1160 3.895,1161 3.742,1162 3.587,1163 4.752,1164 3.624,1165 3.601,1166 3.667,1167 3.47,1168 3.426,1169 4.398,1170 3.429,1171 3.487,1172 3.55,1173 3.34,1174 3.344,1175 4.258,1176 3.336,1177 3.28,1178 3.348,1179 3.167,1180 3.118,1181 4.105,1182 3.121,1183 3.111,1184 3.206,1185 2.908,1186 2.941,1187 3.893,1188 2.91,1189 0.12,1190 0.084,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.196,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.084,1210 2.068,1211 1.434,1212 2.077,1213 1.931,1214 1.898,1215 2.05,1216 2.047,1217 1.289,1218 2.046,1219 1.843,1220 1.783,1221 2.021,1222 1.992,1223 1.243,1224 2.008,1225 1.67,1226 1.614,1227 1.878,1228 1.841,1229 1.116,1230 1.857,1231 1.532,1232 1.473,1233 1.759,1234 1.741,1235 0.958,1236 1.748,1237 1.405,1238 1.334,1239 1.585,1240 1.658,1241 0.825,1242 1.639,1243 1.315,1244 1.25,1245 1.513,1246 1.515,1247 0.756,1248 1.522,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.582,1254 1.429,1255 4.344,1257 5.638,1258 3.045,1259 7.119,1260 5.283,1261 8.682,1262 7.286,1263 10.291,1270 9.84,1271 8.904,1272 3.698,1275 0.616,1276 2.584,1280 41.218,1281 97.082,1282 243.945,1283 327.418,1284 361.683,1285 369.947,1286 369.947,1287 49.557,1288 8.256,1289 82,1290 82,1291 28,1292 12.613,1293 4.459,1294 3.524,1295 50.478,1296 194,1297 170,1298 0.124,1299 251.212,1300 421.29,1301 604.718,1302 56246,1304 23.167,1305 0.681,1306 0.577,1307 23.167,1308 19.606,1309 16.78,1310 0.442,1311 0.325,1312 12.219,1313 16.22,1314 11.998,1315 9.909,1316 16.78,1317 12.365,1318 14.446,1319 0.283,1320 0.184,1321 14.446,1322 9.368,1323 12.458,1324 0.186,1325 0.104,1326 12.458,1327 6.993,1328 10.315,1329 0.12,1330 0.059,1331 10.315,1332 5.092,1333 8.016,1334 0.079,1335 0.035,1336 8.016,1337 3.581,1338 0.205,1339 104.439,1340 0.194,1341 32.509,1342 0.314,1343 178,1344 417.396,1345 190.596,1346 411.893,1347 575.43,1348 390,1349 207,1350 430.569,1351 220.846,1352 438.972,1353 635.06,1354 414,1355 8.561} {0 CHEMBL146132,1 1.442,2 15,3 2.769,4 7.665,5 133.62,6 6.841,7 0.568,8 4.267,9 4.406,10 3.771,11 3.785,12 5.275,13 3.752,14 4.829,15 5.023,16 4.097,17 4.214,18 5.731,19 4.146,20 5.124,21 5.371,22 4.096,23 4.371,24 5.925,25 4.247,26 5.214,27 5.479,28 4.047,29 4.394,30 5.988,31 4.243,32 5.245,33 5.528,34 4.01,35 4.355,36 6.001,37 4.196,38 5.187,39 5.466,40 3.962,41 4.287,42 5.973,43 4.138,44 5.106,45 5.386,46 3.872,47 4.209,48 5.884,49 4.05,50 5.006,51 5.303,52 3.672,53 4.091,54 5.696,55 3.916,56 0.097,57 1.008,58 15.039,59 5.773,60 13.418,61 8.297,62 0.266,63 1.641,64 27.593,65 9.709,66 23.855,67 14.352,68 0.349,69 1.98,70 38.121,71 13.525,72 35.055,73 20.304,74 0.34,75 2.069,76 42.153,77 15.178,78 40.971,79 22.652,80 0.367,81 2.027,82 44.17,83 15.709,84 44.182,85 23.417,86 0.425,87 1.915,88 41.978,89 14.156,90 45.629,91 21.207,92 0.445,93 1.794,94 38.595,95 13.075,96 44.937,97 19.755,98 0.345,99 1.622,100 34.964,101 11.498,102 30.929,103 17.842,104 3,105 50,106 0.228,107 0.577,108 0.763,109 0.831,110 0.852,111 0.852,112 3.531,113 0.964,114 -4.59,115 -4.51,116 -4.24,119 40,121 4,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 6,178 12,182 3,185 1,186 6,189 8,193 6,195 1,197 5,199 7,203 6,206 1,208 5,211 8,215 5,218 1,220 2,222 7,226 5,229 3,231 1,233 4,236 1,237 5,242 3,244 3,249 1,254 2,256 5,259 1949,260 23.162,261 23.162,262 23.162,263 23.162,264 23.162,265 20.748,266 28.49,267 13.914,268 23.58,269 18.251,270 18.251,271 18.251,272 18.251,273 18.251,274 14.699,275 40.116,276 6.552,277 18.954,278 4.58,279 2.379,280 1.208,281 0.773,282 0.646,283 0.646,284 4.244,289 1,290 1102,291 3.464,294 180.166,295 343.49,298 153.987,302 2.303,303 18.284,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70,315 495,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.181,327 6.157,328 3.85,329 2.876,330 3.731,331 0.657,332 9.114,333 2.803,334 4.082,335 2.893,336 6.095,337 3.69,338 2.753,339 3.55,341 8.884,342 2.578,343 3.649,344 2.858,345 5.478,346 3.556,347 2.603,348 2.813,350 7.335,351 2.483,352 3.433,353 2.393,354 5.15,355 3.15,356 2.197,357 2.674,359 6.375,360 2.089,361 3.286,362 2.18,363 5.109,364 2.998,365 2.023,366 2.591,368 5.994,369 1.964,370 3.244,371 1.896,372 4.514,373 2.763,374 1.786,375 2.393,377 4.655,378 1.744,379 3.029,380 1.794,381 4.375,382 2.728,383 1.77,384 2.108,386 4.272,387 1.689,388 2.742,389 1.37,390 4.133,391 2.314,392 1.329,393 1.847,395 3.48,396 1.308,397 2.5,398 1.346,399 3.501,400 2.144,401 1.168,402 1.5,404 2.652,405 1.136,406 2.478,407 1.169,408 3.457,409 2.077,410 1.112,411 1.473,413 2.5,414 1.069,415 2.421,416 1.077,417 3.414,418 2,419 1,420 1.393,422 2.275,423 1,424 2.252,425 1,426 3.316,427 1.984,428 1,429 1.193,431 2.136,432 0.983,433 2.118,434 0.952,435 3.247,436 1.86,437 0.895,438 1,440 2.096,441 0.862,442 2,443 0.855,444 3.177,445 1.564,446 0.618,447 0.927,449 1.468,450 0.58,451 15.733,452 0.477,453 0.547,454 0.017,455 39.75,456 1.205,457 18,458 0.545,459 21.75,460 0.659,461 30.83,462 0.934,463 35.867,464 0.552,465 27.835,466 0.843,467 7.694,468 0.233,469 8.603,470 0.261,471 0.021,473 0.273,479 0.964,480 1.358,481 0.882,482 1.106,483 0.88,484 1.005,485 1.109,486 1.139,487 1.049,488 1.043,489 0.878,490 1.036,491 0.863,492 1.037,493 1.028,494 1.045,495 0.651,496 1.049,497 0.82,498 1.036,499 1.028,500 1.103,501 0.73,502 1.091,503 0.849,504 0.981,505 0.914,506 1.02,507 0.966,508 0.988,509 1.148,510 0.943,511 0.979,512 0.958,513 1.295,514 0.959,515 0.937,516 0.986,517 0.993,518 1.002,519 1.076,520 1.011,521 0.843,522 0.908,523 1.028,524 0.966,525 0.649,526 1.001,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.882,533 0.505,534 0.301,535 0.208,536 0.148,537 19361,538 43863,539 2.187,540 49.2,541 2,542 18,543 1,544 2,545 3,547 2,548 4,550 1.745,551 2.129,552 3.842,553 0.802,559 93.733,560 1.442,561 3.644,562 4.814,563 5.249,564 5.376,565 5.376,566 3.268,567 4.56,568 5.019,569 4.057,570 2141.96,571 8.745,572 34639.4,577 391.454,578 1.027,579 5.01,580 0.135,581 0.004,582 0.067,583 0.027,584 0.027,585 0.021,586 0.013,587 0.008,588 0.007,589 0.006,590 0.315,591 0.17,592 0.88,593 0.459,594 180.281,595 0.014,596 -0.111,597 0.064,598 -0.011,599 0.012,600 0.021,601 -0.088,602 0.025,603 -0.081,604 -0.013,605 -0.063,606 -0.043,607 -0.032,608 -0.01,609 -0.065,610 -0.031,611 0.04,612 -0.047,613 -0.017,614 -0.064,615 -0.064,616 -0.093,617 0.031,618 -0.084,619 0.042,620 -0.072,621 0.064,622 -0.022,623 0.046,624 0.016,625 -0.051,626 -0.02,627 0.018,628 0.019,629 -0.059,630 0.023,631 0.054,632 -0.051,633 -0.004,634 -0.026,635 -0.048,636 -0.027,637 -0.048,638 0.038,639 -0.048,640 -0.009,641 -0.061,642 -0.023,643 1.367,644 3.832,645 0.788,646 39.824,647 0.991,648 1.132,649 3.356,650 11.264,651 0.652,652 3.638,653 3.932,654 4.22,655 4.466,656 4.635,657 4.691,658 4.828,659 4.949,660 4.984,661 5.011,662 8.875,663 0.611,664 444.64,665 3.638,666 5.165,667 6.014,668 6.876,669 7.738,670 8.606,671 9.474,672 10.344,673 11.215,674 12.088,675 9.2,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 65,716 21,717 2,718 37,720 69,721 26,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 16,746 10,764 32,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 33,832 1,833 8,834 1,837 2,838 1,844 1,847 1.5,848 1,854 15.5,855 11.083,856 7.361,857 4.041,858 3.505,859 1.427,860 0.986,861 7.055,862 11.718,863 3.882,864 4.443,865 5.035,866 5.613,867 6.043,868 6.365,869 6.808,870 7.214,871 7.398,872 7.612,873 0.9,874 48,875 12.21,877 5.162,878 7.5,879 24.157,881 20.421,883 2,884 66,888 341.362,889 132.395,890 73.146,892 42.683,895 132.395,896 384.045,897 73.146,899 16.455,900 145.551,901 74.105,902 33.51,903 13.915,904 306.049,906 341.362,907 205.541,908 42.683,911 270.735,912 70.627,913 42.683,915 73.512,916 98.702,917 33.326,919 341.362,920 115.829,921 132.395,924 341.362,925 30.3,926 107.118,927 34.796,928 76.009,929 341.362,930 115.829,931 132.395,933 0.569,934 0.339,935 0.187,936 0.095,937 24,938 9,939 0.13,940 9,941 1,942 1.077,943 4.689,944 295.522,945 0.077,946 26,947 154.465,951 22.146,952 10.513,953 5.297,954 2.45,955 97.144,956 22.293,957 7.828,958 3.409,961 3.61,962 1.938,963 77.48,964 589.586,965 47.5,975 64.425,976 73.597,977 0.239,978 0.605,979 0.799,980 0.872,981 0.893,982 0.893,983 5.101,984 1.77,985 5.964,986 4.655,987 4.615,988 5.13,989 1.038,990 6.737,991 4.543,992 6.265,993 1.329,994 7.492,995 4.272,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.899,1001 7.543,1002 1.168,1003 9.121,1004 3.48,1005 6.168,1006 7.285,1007 0.607,1008 10.646,1009 6.029,1010 8.86,1011 1.112,1012 10.812,1013 2.652,1014 6.463,1015 7.862,1016 0.268,1017 12.338,1018 6.288,1019 10.216,1020 1,1021 12.545,1022 2.5,1023 8,1024 9.79,1025 0.359,1026 14.906,1027 7.803,1028 11.599,1029 1,1030 14.306,1031 2.275,1032 8.712,1033 10.837,1034 0.188,1035 16.949,1036 8.486,1037 13.003,1038 0.895,1039 16.088,1040 2.136,1041 9.993,1042 12.509,1043 0.214,1044 19.344,1045 9.748,1046 3.118,1047 0.618,1048 17.884,1049 2.096,1050 10.907,1051 13.788,1052 0.125,1053 21.537,1054 10.638,1055 2.876,1056 10.431,1057 19.691,1058 1.468,1059 12.079,1060 15.352,1061 0.129,1062 23.874,1063 11.793,1064 2.753,1065 9.114,1066 21.507,1067 4.518,1068 13.09,1069 16.745,1070 0.082,1071 26.134,1072 12.785,1073 2.603,1074 8.884,1075 23.331,1076 3.731,1077 14.218,1078 18.267,1079 0.079,1080 28.455,1081 13.898,1082 2.197,1083 7.335,1084 25.16,1085 3.55,1086 15.278,1087 19.715,1088 0.054,1089 30.747,1090 14.941,1091 2.023,1092 6.375,1093 26.994,1094 2.813,1095 16.391,1096 21.221,1097 0.048,1098 33.066,1099 16.039,1100 1.786,1101 5.994,1102 28.833,1103 2.674,1104 17.476,1105 22.697,1106 0.035,1107 35.375,1108 17.109,1109 17730,1110 26861,1111 25.83,1112 42.387,1113 55.018,1114 54.806,1115 55.258,1116 54.449,1117 54.509,1118 69.885,1119 2.915,1120 151.509,1121 52.519,1122 5.568,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 8.022,1132 1.487,1133 1.481,1134 1.493,1135 1.472,1136 1.473,1137 1.889,1138 0.079,1139 4.095,1140 1.419,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 6.456,1146 4.07,1147 3.958,1148 4.005,1149 3.876,1150 3.874,1151 5.135,1152 3.869,1153 3.847,1154 3.912,1155 3.79,1156 3.702,1157 4.927,1158 3.7,1159 3.819,1160 3.885,1161 3.724,1162 3.585,1163 4.754,1164 3.623,1165 3.555,1166 3.624,1167 3.416,1168 3.395,1169 4.385,1170 3.394,1171 3.431,1172 3.491,1173 3.294,1174 3.253,1175 4.257,1176 3.256,1177 3.277,1178 3.344,1179 3.159,1180 3.113,1181 4.076,1182 3.115,1183 3.111,1184 3.206,1185 2.904,1186 2.941,1187 3.871,1188 2.91,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.197,1197 0.022,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.083,1210 2.07,1211 1.431,1212 2.078,1213 1.932,1214 1.899,1215 2.043,1216 2.048,1217 1.28,1218 2.046,1219 1.831,1220 1.772,1221 2.01,1222 1.98,1223 1.188,1224 1.994,1225 1.663,1226 1.608,1227 1.873,1228 1.83,1229 1.113,1230 1.847,1231 1.436,1232 1.372,1233 1.66,1234 1.683,1235 0.837,1236 1.673,1237 1.395,1238 1.328,1239 1.58,1240 1.639,1241 0.825,1242 1.628,1243 1.304,1244 1.241,1245 1.513,1246 1.51,1247 0.748,1248 1.517,1249 1.153,1250 1.064,1251 1.485,1252 1.442,1253 0.581,1254 1.429,1255 4.317,1257 5.617,1258 3.045,1259 7.107,1260 5.283,1261 8.683,1262 7.286,1263 10.303,1270 9.832,1271 7.917,1272 3.666,1275 0.482,1276 2.575,1280 39.692,1281 93.733,1282 236.832,1283 312.925,1284 341.189,1285 349.454,1286 349.454,1287 46.817,1288 8.213,1289 82,1290 82,1291 28,1292 12.63,1293 4.459,1294 3.524,1295 48.289,1296 181,1297 152,1298 0.128,1299 241.62,1300 403.99,1301 581.312,1302 52275,1304 22.46,1305 0.681,1306 0.573,1307 22.46,1308 18.898,1309 16.297,1310 0.44,1311 0.321,1312 11.746,1313 15.739,1314 11.543,1315 9.526,1316 16.297,1317 11.892,1318 13.999,1319 0.28,1320 0.179,1321 13.999,1322 8.945,1323 12.299,1324 0.184,1325 0.101,1326 12.299,1327 6.797,1328 10.246,1329 0.119,1330 0.057,1331 10.246,1332 4.908,1333 7.917,1334 0.078,1335 0.034,1336 7.917,1337 3.449,1338 0.21,1339 101.54,1340 0.197,1341 31.603,1342 0.325,1343 174,1344 413.396,1345 186.596,1346 407.568,1347 570.67,1348 386,1349 204,1350 428.569,1351 218.012,1352 436.426,1353 633.66,1354 412,1355 8.521} {0 CHEMBL146150,1 1.449,2 17.111,3 2.777,4 7.713,5 145.158,6 6.841,7 0.525,8 4.348,9 4.492,10 3.85,11 3.861,12 5.359,13 3.827,14 4.912,15 5.114,16 4.194,17 4.281,18 5.85,19 4.216,20 5.195,21 5.437,22 4.173,23 4.443,24 6.038,25 4.326,26 5.287,27 5.553,28 4.123,29 4.485,30 6.068,31 4.331,32 5.317,33 5.603,34 4.052,35 4.445,36 6.062,37 4.273,38 5.244,39 5.535,40 4,41 4.356,42 5.972,43 4.193,44 5.148,45 5.433,46 3.956,47 4.276,48 5.882,49 4.123,50 5.096,51 5.378,52 3.854,53 4.203,54 5.876,55 4.046,56 0.091,57 1.11,58 16.283,59 6.167,60 13.58,61 9.027,62 0.306,63 1.782,64 30.068,65 10.414,66 29.289,67 15.674,68 0.389,69 2.136,70 41.087,71 13.959,72 44.474,73 21.078,74 0.34,75 2.241,76 45.121,77 16.495,78 44.111,79 24.734,80 0.361,81 2.19,82 47.198,83 17.162,84 50.025,85 25.756,86 0.406,87 2.05,88 44.173,89 15.244,90 43.315,91 23.252,92 0.366,93 1.917,94 39.921,95 13.365,96 37.294,97 20.688,98 0.422,99 1.789,100 38.131,101 12.387,102 44.132,103 19.202,104 12,105 55,106 0.225,107 0.577,108 0.777,109 0.829,110 0.847,111 0.847,112 3.615,113 0.964,114 -4.84,115 -4.75,116 -4.46,119 39.4,120 2,121 4,125 3,127 2,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 9,171 2,172 6,174 1,176 10,178 11,182 3,186 7,189 9,193 8,195 1,197 4,199 13,203 8,206 1,211 10,215 7,218 1,219 1,220 2,222 8,226 5,229 2,231 1,233 2,236 1,237 6,240 1,242 6,244 5,254 1,256 6,259 2630,260 24.601,261 24.601,262 24.601,263 24.601,264 24.601,265 22.007,266 35.574,267 14.626,268 25.027,269 19.78,270 19.78,271 19.78,272 19.78,273 19.78,274 15.882,275 50.496,276 6.987,277 20.476,278 4.701,279 2.44,280 1.151,281 0.814,282 0.697,283 0.697,284 4.322,289 1,290 1358,291 3.937,294 204.804,295 386.288,298 176.188,302 2.778,303 20.409,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 76.5,315 616,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.138,326 3.197,327 6.095,328 3.844,329 2.867,330 3.731,331 0.8,332 8.884,333 2.805,334 4.129,335 3.139,336 6.061,337 3.69,338 2.753,339 3.695,340 0.657,341 8.736,342 2.578,343 3.777,344 2.893,345 5.492,346 3.593,347 2.636,348 3.009,349 0.149,350 7.395,351 2.523,352 3.622,353 2.858,354 5.4,355 3.446,356 2.481,357 2.813,359 7.11,360 2.392,361 3.433,362 2.515,363 5.146,364 3.136,365 2.175,366 2.655,368 6.343,369 2.085,370 3.347,371 2.318,372 5.105,373 3,374 2.022,375 2.59,377 5.994,378 1.976,379 3.25,380 2.178,381 4.514,382 2.913,383 1.897,384 2.499,386 4.655,387 1.906,388 3.16,389 1.795,390 4.441,391 2.73,392 1.776,393 2.196,395 4.6,396 1.69,397 2.743,398 1.442,399 4.134,400 2.328,401 1.343,402 1.848,404 3.491,405 1.321,406 2.5,407 1.352,408 4.025,409 2.233,410 1.257,411 1.5,413 3.333,414 1.224,415 2.48,416 1.153,417 3.467,418 2.074,419 1.109,420 1.475,422 2.513,423 1.068,424 2.415,425 1.077,426 3.414,427 2,428 1,429 1.385,431 2.275,432 1,433 2.246,434 1,435 3.414,436 1.984,437 1,438 1.186,440 2.275,441 0.983,442 2.118,443 0.932,444 3.316,445 1.859,446 0.893,447 1,449 2.094,450 0.86,451 17.133,452 0.476,453 0.797,454 0.022,455 43.75,456 1.215,457 20,458 0.556,459 23.75,460 0.66,461 35.099,462 0.975,463 39.267,464 0.553,465 31.673,466 0.88,467 8.348,468 0.232,469 9.199,470 0.256,471 0.078,473 0.309,479 0.836,480 1.409,481 0.872,482 1.143,483 0.6,484 1.028,485 0.894,486 1.159,487 0.954,488 1.035,489 0.533,490 1,491 1.174,492 1.026,493 1.112,494 1.023,495 1.015,496 1.054,497 0.689,498 1.035,499 1.016,500 1.116,501 0.5,502 1.104,503 0.657,504 0.994,505 0.918,506 1.056,507 0.711,508 1.028,509 0.726,510 0.939,511 0.907,512 0.969,513 0.653,514 0.961,515 0.73,516 1.005,517 0.949,518 1.007,519 0.483,520 0.999,521 0.921,522 0.981,523 1.053,524 1.023,525 0.778,526 1.044,527 7,528 0.165,529 3.778,530 1.632,531 1.588,532 1.083,533 0.605,534 0.43,535 0.258,536 0.198,537 25120,538 59325,539 2.137,540 49.3,541 2,542 15,543 1,544 2,545 3,546 3,547 5,548 4,550 1.765,551 2.038,552 4.019,553 0.773,559 102.85,560 1.449,561 3.71,562 4.999,563 5.336,564 5.452,565 5.452,566 3.52,567 4.725,568 5.141,569 4.253,570 2679.38,571 8.985,572 47397.4,577 436.632,578 1.256,579 5.118,580 0.175,581 0.005,582 0.069,583 0.031,584 0.033,585 0.025,586 0.014,587 0.011,588 0.007,589 0.006,590 0.377,591 0.17,592 0.75,593 0.73,594 203.779,595 0.033,596 -0.141,597 0.067,598 -0.039,599 0.028,600 0.008,601 0.057,602 0.001,603 0.012,604 -0.001,605 0.126,606 0.001,607 -0.188,608 0.021,609 -0.136,610 -0.013,611 -0.093,612 -0.06,613 -0.005,614 -0.056,615 -0.064,616 -0.089,617 0.053,618 -0.083,619 0.056,620 -0.082,621 0.042,622 -0.038,623 0.038,624 -0.007,625 0.052,626 -0.015,627 0.066,628 0.022,629 0.022,630 0.04,631 0.039,632 -0.043,633 0.024,634 -0.027,635 0.012,636 -0.007,637 -0.004,638 -0.017,639 -0.068,640 -0.054,641 0.001,642 -0.065,643 1.709,644 4.218,645 0.722,646 48.679,647 0.992,648 1.134,649 3.607,650 13.013,651 0.65,652 3.714,653 4.025,654 4.277,655 4.522,656 4.691,657 4.779,658 4.92,659 5.03,660 5.037,661 5.1,662 9.981,663 0.609,664 485.7,665 3.714,666 5.252,667 6.094,668 6.959,669 7.815,670 8.684,671 9.546,672 10.418,673 11.284,674 12.157,675 9.9,677 1,678 1,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 71,716 22,717 2,718 40,720 75,721 28,722 16,723 5,724 7,730 5,731 6,736 2,740 3,743 6,745 17,746 11,750 1,755 1,759 1,764 35,765 6,766 3,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,814 1,815 1,819 4,823 2,827 36,833 7,834 2,837 2,838 1,844 1,847 1.4,850 1,854 17.667,855 12.967,856 7.861,857 4.469,858 3.715,859 1.439,860 0.995,861 7.808,862 12.187,863 3.961,864 4.533,865 5.089,866 5.67,867 6.114,868 6.459,869 6.886,870 7.276,871 7.424,872 7.644,873 1,874 52,875 13.3,877 5.582,878 7.537,879 26.199,881 21.908,883 2.037,884 73.333,888 376.675,889 148.03,890 91.156,892 25.145,895 148.03,896 401.82,897 91.156,898 17.65,899 34.466,900 93.392,901 103.955,902 36.267,903 13.915,904 341.362,906 376.675,907 239.187,908 25.145,911 270.735,912 131.085,915 109.173,916 96.688,917 33.326,919 376.675,920 116.301,921 148.03,924 376.675,925 37.762,926 115.292,927 52.807,928 58.471,929 376.675,930 116.301,931 148.03,933 0.579,934 0.328,935 0.176,936 0.09,937 26,938 11,939 0.12,940 9,941 1,942 1.077,943 4.944,944 327.351,945 0.077,946 26,947 172.117,951 24.696,952 11.381,953 6.24,954 2.454,955 97.617,956 20.193,957 7.841,958 3.417,961 4.545,962 1.941,963 52.807,964 641.007,965 51.5,970 11.218,974 -0.042,975 70.41,976 80.51,977 0.236,978 0.603,979 0.813,980 0.868,981 0.887,982 0.887,983 5.194,984 1.897,985 6.061,986 5.994,987 4.71,988 5.22,989 2.183,990 6.832,991 4.644,992 6.375,993 1.776,994 7.592,995 4.655,996 4.205,997 4.934,998 1.668,999 7.636,1000 4.115,1001 7.662,1002 1.343,1003 9.219,1004 4.6,1005 6.267,1006 7.375,1007 2.949,1008 10.704,1009 6.137,1010 8.983,1011 1.257,1012 10.904,1013 3.491,1014 6.594,1015 7.989,1016 3.047,1017 12.355,1018 6.437,1019 10.339,1020 1.109,1021 12.626,1022 3.333,1023 8.09,1024 9.868,1025 4.045,1026 14.917,1027 7.902,1028 11.718,1029 1,1030 14.375,1031 2.513,1032 8.805,1033 10.922,1034 4.412,1035 16.929,1036 8.592,1037 13.118,1038 1,1039 16.144,1040 2.275,1041 10.065,1042 12.57,1043 5.252,1044 19.32,1045 9.829,1046 3.118,1047 0.893,1048 17.927,1049 2.275,1050 10.972,1051 13.847,1052 5.75,1053 21.497,1054 10.714,1055 2.867,1056 10.431,1057 19.723,1058 2.094,1059 12.133,1060 15.399,1061 6.501,1062 23.831,1063 11.855,1064 2.753,1065 8.884,1066 21.528,1067 4.518,1068 13.136,1069 16.788,1070 7.068,1071 26.085,1072 12.841,1073 2.636,1074 8.736,1075 23.342,1076 3.731,1077 14.257,1078 18.302,1079 7.771,1080 28.405,1081 13.944,1082 2.481,1083 7.395,1084 25.162,1085 3.695,1086 15.31,1087 19.746,1088 8.374,1089 30.696,1090 14.981,1091 2.175,1092 7.11,1093 26.989,1094 3.009,1095 16.417,1096 21.247,1097 9.051,1098 33.016,1099 16.073,1100 2.022,1101 6.343,1102 28.82,1103 2.813,1104 17.496,1105 22.719,1106 9.674,1107 35.327,1108 17.138,1109 23268,1110 35946,1111 27.334,1112 46.154,1113 60.079,1114 59.955,1115 60.199,1116 59.329,1117 59.398,1118 76.019,1119 7.027,1120 166.665,1121 57.499,1122 5.568,1123 5.533,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 15.038,1132 1.502,1133 1.499,1134 1.505,1135 1.483,1136 1.485,1137 1.9,1138 0.176,1139 4.167,1140 1.437,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 7.43,1146 4.07,1147 3.973,1148 4.017,1149 3.902,1150 3.886,1151 5.135,1152 3.885,1153 3.855,1154 3.918,1155 3.79,1156 3.704,1157 4.927,1158 3.703,1159 3.822,1160 3.893,1161 3.734,1162 3.586,1163 4.758,1164 3.623,1165 3.588,1166 3.653,1167 3.48,1168 3.404,1169 4.399,1170 3.408,1171 3.516,1172 3.574,1173 3.383,1174 3.333,1175 4.26,1176 3.343,1177 3.377,1178 3.447,1179 3.241,1180 3.198,1181 4.162,1182 3.197,1183 3.271,1184 3.341,1185 3.137,1186 3.11,1187 3.949,1188 3.109,1189 0.114,1190 0.088,1191 0.164,1192 0.102,1193 0.078,1194 4.568,1195 0.113,1196 3.533,1197 0.048,1198 6.566,1199 0.261,1200 4.099,1201 0.077,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.085,1210 2.074,1211 1.431,1212 2.081,1213 1.939,1214 1.907,1215 2.043,1216 2.049,1217 1.28,1218 2.048,1219 1.834,1220 1.774,1221 2.009,1222 1.996,1223 1.191,1224 2.004,1225 1.665,1226 1.609,1227 1.874,1228 1.836,1229 1.114,1230 1.851,1231 1.502,1232 1.443,1233 1.746,1234 1.743,1235 0.86,1236 1.743,1237 1.41,1238 1.34,1239 1.665,1240 1.666,1241 0.825,1242 1.649,1243 1.373,1244 1.307,1245 1.585,1246 1.597,1247 0.752,1248 1.612,1249 1.303,1250 1.234,1251 1.513,1252 1.502,1253 0.702,1254 1.517,1255 4.394,1257 5.707,1258 3.045,1259 7.197,1260 5.283,1261 8.767,1262 7.286,1263 10.383,1265 3.749,1271 7.96,1272 6.63,1275 0.828,1276 2.6,1280 43.24,1281 102.85,1282 263.389,1283 354.941,1284 378.858,1285 387.122,1286 387.122,1287 53.489,1288 8.472,1289 90.87,1290 90.87,1291 28,1292 12.7,1293 4.524,1294 3.644,1295 55.076,1296 220,1297 208,1298 0.119,1299 264.671,1300 446.95,1301 637.558,1302 74454,1304 24.907,1305 0.692,1306 0.585,1307 24.907,1308 21.075,1309 17.547,1310 0.439,1311 0.321,1312 12.704,1313 16.918,1314 12.379,1315 10.273,1316 17.547,1317 12.859,1318 15.82,1319 0.288,1320 0.179,1321 15.82,1322 9.824,1323 13.029,1324 0.184,1325 0.101,1326 13.029,1327 7.193,1328 10.898,1329 0.12,1330 0.057,1331 10.898,1332 5.192,1333 8.277,1334 0.077,1335 0.033,1336 8.277,1337 3.594,1338 0.198,1339 109.316,1340 0.191,1341 34.199,1342 0.297,1343 190,1344 467.315,1345 205.425,1346 461.031,1347 642.16,1348 434,1349 221,1350 485.943,1351 236.456,1352 493.71,1353 712.1,1354 465,1355 7.538} {0 CHEMBL146265,1 1.428,2 15.765,3 3.347,4 11.2,5 138.437,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.303,13 3.787,14 4.874,15 5.07,16 4.116,17 4.256,18 5.758,19 4.182,20 5.17,21 5.418,22 4.119,23 4.418,24 5.952,25 4.285,26 5.273,27 5.545,28 4.059,29 4.426,30 6.032,31 4.267,32 5.286,33 5.581,34 3.992,35 4.362,36 6.022,37 4.195,38 5.174,39 5.454,40 3.971,41 4.304,42 5.915,43 4.152,44 5.146,45 5.418,46 3.942,47 4.274,48 5.925,49 4.121,50 5.127,51 5.419,52 3.776,53 4.203,54 5.858,55 4.026,56 0.103,57 1.046,58 15.933,59 6.109,60 13.488,61 8.832,62 0.281,63 1.703,64 29.169,65 10.323,66 24.832,67 15.31,68 0.337,69 2.057,70 39.924,71 14.57,72 34.25,73 21.788,74 0.334,75 2.164,76 44.838,77 15.901,78 40.492,79 24.012,80 0.46,81 2.08,82 46.306,83 15.875,84 50.722,85 23.949,86 0.359,87 1.911,88 40.959,89 14.402,90 36.779,91 21.59,92 0.386,93 1.877,94 39.848,95 13.866,96 40.152,97 20.735,98 0.469,99 1.793,100 39.549,101 13.052,102 43.312,103 20.004,104 3,105 51,106 0.224,107 0.565,108 0.755,109 0.835,110 0.855,111 0.855,112 3.56,113 0.976,114 -4.79,115 -4.7,116 -4.41,119 39.7,121 4,122 1,125 5,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 5,176 5,178 12,182 4,185 1,186 8,189 8,193 6,197 5,199 6,203 6,206 2,208 4,211 9,215 4,218 1,220 3,222 10,226 4,229 2,231 1,233 8,236 1,237 5,240 1,242 3,244 5,249 2,254 2,256 4,259 2170,260 23.869,261 23.869,262 23.869,263 23.869,264 23.869,265 21.455,266 26.909,267 14.36,268 24.285,269 18.734,270 18.734,271 18.734,272 18.734,273 18.734,274 15.182,275 30.116,276 6.752,277 19.424,278 4.66,279 2.489,280 1.28,281 0.769,282 0.647,283 0.647,284 4.272,289 1,290 1190,291 3.606,294 188.736,295 361.439,298 161.74,302 2.512,303 18.123,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 72,315 536,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.147,327 6.128,328 3.817,329 2.838,330 3.731,331 0.657,332 8.979,333 2.78,334 4.07,335 2.896,336 6.095,337 3.69,338 2.753,339 3.548,341 8.884,342 2.579,343 3.657,344 2.863,345 5.49,346 3.605,347 2.643,348 2.813,350 7.385,351 2.55,352 3.433,353 2.365,354 5.15,355 3.18,356 2.223,357 2.661,359 6.388,360 2.117,361 3.269,362 2.179,363 5.109,364 3,365 2.024,366 2.59,368 5.994,369 1.968,370 3.241,371 1.968,372 4.514,373 2.836,374 1.858,375 2.39,377 4.655,378 1.814,379 3.123,380 1.795,381 4.454,382 2.73,383 1.776,384 2.184,386 4.501,387 1.69,388 2.742,389 1.38,390 4.134,391 2.319,392 1.334,393 1.847,395 3.482,396 1.314,397 2.547,398 1.349,399 3.522,400 2.19,401 1.213,402 1.559,404 2.739,405 1.183,406 2.5,407 1.248,408 3.468,409 2.091,410 1.125,411 1.5,413 2.534,414 1.084,415 2.427,416 1.128,417 3.414,418 2,419 1,420 1.401,422 2.275,423 1,424 2.26,425 1.077,426 3.32,427 1.984,428 1,429 1.204,431 2.136,432 0.983,433 2.118,434 1,435 3.247,436 1.866,437 0.903,438 1,440 2.103,441 0.867,442 2,443 0.927,444 3.195,445 1.688,446 0.764,447 0.927,449 1.599,450 0.701,451 16.233,452 0.477,453 0.547,454 0.016,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 32.617,462 0.959,463 37.167,464 0.547,465 28.086,466 0.826,467 7.718,468 0.227,469 9.08,470 0.267,471 0.021,473 0.265,479 0.963,480 1.363,481 0.898,482 1.12,483 0.874,484 1.022,485 1.115,486 1.113,487 1.064,488 1.04,489 0.88,490 1.042,491 0.788,492 1.069,493 1.018,494 1.084,495 0.614,496 1.075,497 0.84,498 1.088,499 1.024,500 1.114,501 0.72,502 1.092,503 0.939,504 0.882,505 0.921,506 0.928,507 1.022,508 0.928,509 0.911,510 0.955,511 0.925,512 0.978,513 0.949,514 0.961,515 1.012,516 1.034,517 1.006,518 1.053,519 1.183,520 1.041,521 1.036,522 0.887,523 1.062,524 0.951,525 1.104,526 1.001,527 5,528 0.099,529 3.556,530 1.194,531 1.037,532 0.965,533 0.545,534 0.237,535 0.229,536 0.201,537 21490,538 47928,539 2.182,540 50,541 2,542 19,543 1,544 2,545 3,547 7,550 1.752,551 2.125,552 3.905,553 0.782,559 97.082,560 1.428,561 3.599,562 4.808,563 5.319,564 5.44,565 5.44,566 3.363,567 4.514,568 5.061,569 4.134,570 2319.09,571 8.827,572 38987.6,577 413.947,578 1.012,579 5.053,580 0.132,581 0.004,582 0.07,583 0.024,584 0.024,585 0.024,586 0.013,587 0.006,588 0.007,589 0.007,590 0.31,591 0.17,592 0.88,593 0.449,594 188.424,595 0.02,596 -0.108,597 0.064,598 -0.012,599 0.026,600 0.02,601 -0.092,602 0.053,603 -0.086,604 -0.002,605 -0.063,606 -0.038,607 -0.002,608 -0.046,609 -0.058,610 -0.056,611 0.061,612 -0.061,613 -0.03,614 -0.122,615 -0.058,616 -0.111,617 0.04,618 -0.089,619 0.024,620 0.027,621 0.065,622 0.045,623 0.013,624 0.056,625 0.012,626 -0.02,627 0.054,628 0.016,629 0.025,630 0.035,631 0.002,632 -0.085,633 -0.021,634 -0.062,635 -0.069,636 -0.051,637 -0.041,638 0.05,639 -0.071,640 0.007,641 -0.125,642 -0.03,643 1.364,644 3.776,645 0.765,646 43.391,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.951,654 4.234,655 4.466,656 4.625,657 4.691,658 4.812,659 4.92,660 4.984,661 5.037,662 9.34,663 0.606,664 458.67,665 3.664,666 5.187,667 6.033,668 6.891,669 7.749,670 8.612,671 9.476,672 10.342,673 11.209,674 12.079,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 2,741 1,743 5,745 16,746 11,747 1,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 34,832 1,833 9,834 1,837 2,838 1,844 1,847 1.5,848 1,854 16,855 11.583,856 7.611,857 4.25,858 3.48,859 1.422,860 0.983,861 7.592,862 11.736,863 3.902,864 4.454,865 5.042,866 5.613,867 6.039,868 6.361,869 6.8,870 7.203,871 7.387,872 7.61,873 1,874 49,875 12.585,877 5.3,878 7.485,879 24.974,881 21.097,883 1.985,884 67.5,888 364.904,889 134.501,890 73.146,892 42.683,895 134.501,896 407.588,897 73.146,899 18.561,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 207.646,908 42.683,911 282.506,912 82.398,913 42.683,915 75.618,916 98.702,917 33.326,919 364.904,920 115.829,921 134.501,924 364.904,925 32.406,926 107.118,927 34.796,928 76.009,929 364.904,930 115.829,931 134.501,933 0.568,934 0.338,935 0.183,936 0.092,937 24,938 9,939 0.139,940 10,941 1,942 1.077,943 4.812,944 303.716,945 0.077,946 26,947 158.219,951 23.097,952 11.175,953 5.713,954 2.463,955 97.144,956 22.314,957 7.836,958 3.416,961 3.623,962 1.942,963 77.48,964 615.234,965 48.5,975 67.309,976 77.012,977 0.235,978 0.591,979 0.79,980 0.874,981 0.894,982 0.894,983 5.119,984 1.776,985 5.979,986 4.655,987 4.635,988 5.142,989 1.038,990 6.744,991 4.566,992 6.278,993 1.334,994 7.503,995 4.501,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.911,1001 7.553,1002 1.213,1003 9.128,1004 3.482,1005 6.18,1006 7.289,1007 0.607,1008 10.638,1009 6.05,1010 8.867,1011 1.125,1012 10.816,1013 2.739,1014 6.463,1015 7.862,1016 0.268,1017 12.33,1018 6.304,1019 10.221,1020 1,1021 12.546,1022 2.534,1023 8.005,1024 9.791,1025 0.359,1026 14.89,1027 7.822,1028 11.602,1029 1,1030 14.305,1031 2.275,1032 8.708,1033 10.837,1034 0.188,1035 16.933,1036 8.499,1037 13.005,1038 0.903,1039 16.084,1040 2.136,1041 9.989,1042 12.509,1043 0.214,1044 19.323,1045 9.761,1046 3.118,1047 0.764,1048 17.879,1049 2.103,1050 10.896,1051 13.788,1052 0.125,1053 21.517,1054 10.646,1055 2.838,1056 10.431,1057 19.684,1058 1.599,1059 12.068,1060 15.352,1061 0.129,1062 23.851,1063 11.8,1064 2.753,1065 8.979,1066 21.499,1067 4.518,1068 13.075,1069 16.745,1070 0.082,1071 26.112,1072 12.789,1073 2.643,1074 8.884,1075 23.321,1076 3.731,1077 14.202,1078 18.266,1079 0.079,1080 28.431,1081 13.899,1082 2.223,1083 7.385,1084 25.15,1085 3.548,1086 15.258,1087 19.715,1088 0.054,1089 30.725,1090 14.939,1091 2.024,1092 6.388,1093 26.983,1094 2.813,1095 16.369,1096 21.221,1097 0.048,1098 33.044,1099 16.036,1100 1.858,1101 5.994,1102 28.821,1103 2.661,1104 17.452,1105 22.697,1106 0.035,1107 35.354,1108 17.103,1109 19707,1110 29619,1111 26.523,1112 44.148,1113 56.29,1114 56.119,1115 56.561,1116 55.76,1117 55.81,1118 71.186,1119 2.915,1120 154.126,1121 53.849,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 8.25,1132 1.481,1133 1.477,1134 1.488,1135 1.467,1136 1.469,1137 1.873,1138 0.077,1139 4.056,1140 1.417,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.456,1146 4.07,1147 3.955,1148 4.002,1149 3.871,1150 3.873,1151 5.135,1152 3.867,1153 3.866,1154 3.922,1155 3.79,1156 3.736,1157 4.927,1158 3.73,1159 3.824,1160 3.896,1161 3.745,1162 3.588,1163 4.753,1164 3.625,1165 3.575,1166 3.646,1167 3.436,1168 3.41,1169 4.375,1170 3.409,1171 3.469,1172 3.532,1173 3.33,1174 3.292,1175 4.258,1176 3.294,1177 3.296,1178 3.361,1179 3.183,1180 3.133,1181 4.139,1182 3.136,1183 3.158,1184 3.244,1185 2.987,1186 2.941,1187 3.915,1188 2.931,1189 0.12,1190 0.084,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.196,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.092,1210 2.069,1211 1.468,1212 2.08,1213 1.929,1214 1.897,1215 2.045,1216 2.047,1217 1.288,1218 2.046,1219 1.859,1220 1.802,1221 2.026,1222 1.997,1223 1.203,1224 2.011,1225 1.673,1226 1.618,1227 1.884,1228 1.839,1229 1.122,1230 1.858,1231 1.472,1232 1.406,1233 1.698,1234 1.709,1235 0.882,1236 1.708,1237 1.404,1238 1.334,1239 1.592,1240 1.656,1241 0.825,1242 1.639,1243 1.329,1244 1.266,1245 1.513,1246 1.536,1247 0.788,1248 1.54,1249 1.153,1250 1.064,1251 1.502,1252 1.442,1253 0.65,1254 1.429,1255 4.344,1257 5.638,1258 3.045,1259 7.124,1260 5.283,1261 8.693,1262 7.286,1263 10.307,1270 9.776,1271 9.233,1272 3.582,1275 0.708,1276 2.606,1280 41.218,1281 97.082,1282 244.7,1283 326.928,1284 361.683,1285 369.947,1286 369.947,1287 49.331,1288 8.256,1289 82,1290 82,1291 28,1292 12.623,1293 4.459,1294 3.524,1295 50.515,1296 196,1297 166,1298 0.123,1299 251.212,1300 421.29,1301 604.718,1302 56520,1304 23.167,1305 0.681,1306 0.577,1307 23.167,1308 19.606,1309 16.797,1310 0.442,1311 0.325,1312 12.217,1313 16.236,1314 11.998,1315 9.915,1316 16.797,1317 12.365,1318 14.34,1319 0.281,1320 0.183,1321 14.34,1322 9.356,1323 12.609,1324 0.185,1325 0.105,1326 12.609,1327 7.133,1328 10.402,1329 0.121,1330 0.059,1331 10.402,1332 5.057,1333 7.891,1334 0.078,1335 0.035,1336 7.891,1337 3.567,1338 0.203,1339 104.586,1340 0.194,1341 32.548,1342 0.309,1343 178,1344 417.396,1345 190.263,1346 411.77,1347 575.57,1348 390,1349 208,1350 430.287,1351 221.846,1352 438.95,1353 636.65,1354 414,1355 8.469} {0 CHEMBL146285,1 1.448,2 15.606,3 3.862,4 14.917,5 132.292,6 6.979,7 0.568,8 4.252,9 4.392,10 3.775,11 3.778,12 5.268,13 3.746,14 4.821,15 5.019,16 4.121,17 4.204,18 5.764,19 4.143,20 5.112,21 5.359,22 4.102,23 4.358,24 5.964,25 4.242,26 5.198,27 5.466,28 4.006,29 4.38,30 5.972,31 4.222,32 5.214,33 5.509,34 3.933,35 4.333,36 5.888,37 4.155,38 5.14,39 5.432,40 3.936,41 4.252,42 5.908,43 4.096,44 5.056,45 5.337,46 3.866,47 4.173,48 5.858,49 4.027,50 4.976,51 5.264,52 3.716,53 4.071,54 5.739,55 3.913,56 0.07,57 1.064,58 14.361,59 5.747,60 11.796,61 8.129,62 0.231,63 1.728,64 26.995,65 9.713,66 24.608,67 14.115,68 0.325,69 2.083,70 37.787,71 13.427,72 41.352,73 19.62,74 0.35,75 2.107,76 41.648,77 15.192,78 43.932,79 22.373,80 0.315,81 1.998,82 42.888,83 15.598,84 38.909,85 23.481,86 0.419,87 1.943,88 40.233,89 13.851,90 45.063,91 20.874,92 0.397,93 1.839,94 37.037,95 12.59,96 47.515,97 18.55,98 0.352,99 1.662,100 34.172,101 11.252,102 35.574,103 16.952,104 5,105 51,106 0.23,107 0.578,108 0.769,109 0.828,110 0.842,111 0.842,112 3.531,113 0.96,114 -5.71,115 -5.58,116 -5.2,119 40.6,120 1,121 4,125 3,127 2,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 5,176 7,178 11,182 3,186 5,189 9,193 6,195 1,197 3,199 11,203 6,206 1,211 8,215 6,218 1,220 1,222 7,226 5,229 2,231 1,233 2,236 1,237 5,242 3,244 4,254 1,256 6,259 1986,260 22.739,261 22.739,262 22.739,263 22.739,264 22.739,265 20.3,266 30.362,267 13.478,268 23.207,269 18.28,270 18.28,271 18.28,272 18.28,273 18.28,274 14.659,275 41.399,276 6.434,277 19.065,278 4.552,279 2.361,280 1.159,281 0.785,282 0.699,283 0.699,284 4.241,289 1,290 1147,291 3.391,294 180.478,295 343.498,298 154.288,302 2.454,303 20.857,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 70.5,315 515,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.155,327 6.095,328 3.832,329 2.857,330 3.731,331 0.657,332 8.884,333 2.788,334 4.115,335 2.903,336 6.058,337 3.69,338 2.753,339 3.669,341 8.72,342 2.578,343 3.69,344 2.876,345 5.48,346 3.567,347 2.615,348 2.877,350 7.339,351 2.492,352 3.54,353 2.803,354 5.161,355 3.251,356 2.317,357 2.813,359 6.438,360 2.153,361 3.429,362 2.363,363 5.118,364 3.078,365 2.118,366 2.63,368 6.002,369 2.03,370 3.251,371 2.179,372 4.989,373 2.981,374 2.013,375 2.588,377 5.901,378 1.933,379 3.172,380 1.795,381 4.514,382 2.73,383 1.776,384 2.202,386 4.655,387 1.69,388 2.743,389 1.478,390 4.134,391 2.327,392 1.345,393 1.848,395 3.491,396 1.319,397 2.5,398 1.358,399 4.026,400 2.228,401 1.263,402 1.5,404 3.331,405 1.212,406 2.478,407 1.154,408 3.466,409 2.073,410 1.109,411 1.475,413 2.512,414 1.066,415 2.415,416 1.077,417 3.414,418 2,419 1,420 1.385,422 2.275,423 1,424 2.246,425 1,426 3.414,427 1.984,428 1,429 1.186,431 2.275,432 0.983,433 2.118,434 0.932,435 3.316,436 1.859,437 0.893,438 1,440 2.094,441 0.86,442 2,443 0.673,444 3.175,445 1.56,446 0.618,447 0.927,449 1.461,450 0.575,451 15.686,452 0.475,453 0.691,454 0.021,455 39.75,456 1.205,457 18,458 0.545,459 21.75,460 0.659,461 31.378,462 0.951,463 35.914,464 0.561,465 27.625,466 0.837,467 7.585,468 0.23,469 8.568,470 0.26,471 0.05,473 0.306,477 1,479 0.708,480 1.253,481 0.829,482 1.119,483 0.538,484 1.011,485 0.866,486 1.068,487 0.956,488 1.028,489 0.545,490 1.002,491 0.964,492 1.004,493 1.054,494 1.044,495 0.776,496 1.055,497 0.725,498 0.941,499 1.044,500 1.1,501 0.638,502 1.115,503 0.434,504 0.843,505 0.855,506 1.004,507 0.35,508 0.992,509 0.648,510 0.852,511 0.874,512 0.943,513 0.562,514 0.941,515 0.99,516 0.977,517 1.01,518 1.005,519 1.039,520 1.013,521 0.919,522 0.914,523 1.051,524 0.998,525 0.823,526 1.03,527 6,528 0.124,529 3.778,530 1.382,531 1.388,532 0.965,533 0.484,534 0.336,535 0.258,536 0.158,537 19673,538 47599,539 2.168,540 48.4,541 2,542 15,543 1,544 2,545 2,547 5,548 4,550 1.744,551 2.084,552 3.896,553 0.162,559 92.699,560 1.448,561 3.639,562 4.841,563 5.215,564 5.301,565 5.301,566 3.366,567 4.56,568 5.017,569 4.101,570 2165.08,571 8.738,572 35207,574 1,577 384,578 1.182,579 4.999,580 0.162,581 0.005,582 0.074,583 0.029,584 0.033,585 0.025,586 0.012,587 0.009,588 0.009,589 0.006,590 0.364,591 0.17,592 0.75,593 0.398,594 180.813,595 0.034,596 -0.115,597 0.069,598 -0.036,599 0.032,600 0.009,601 -0.028,602 -0.01,603 -0.019,604 -0.011,605 0.069,606 -0.013,607 -0.105,608 -0.019,609 -0.096,610 -0.037,611 0.003,612 -0.058,613 -0.032,614 -0.051,615 -0.097,616 -0.095,617 -0.017,618 -0.105,619 0.078,620 -0.068,621 0.086,622 -0.012,623 0.044,624 0.028,625 0.095,626 0.002,627 0.094,628 0.034,629 0.087,630 0.058,631 -0.024,632 -0.026,633 -0.022,634 -0.027,635 -0.073,636 -0.026,637 -0.058,638 -0.021,639 -0.07,640 -0.042,641 -0.068,642 -0.053,643 1.845,644 5.163,645 0.788,646 41.058,647 0.994,648 1.136,649 4.484,650 20.109,651 0.654,652 3.638,653 3.951,654 4.22,655 4.454,656 4.635,657 4.71,658 4.812,659 4.934,660 4.984,661 5.024,662 9.06,663 0.615,664 446.63,665 3.638,666 5.176,667 6.023,668 6.889,669 7.749,670 8.617,671 9.483,672 10.354,673 11.223,674 12.097,675 9.4,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 64,716 21,717 2,718 37,720 68,721 26,722 16,723 5,724 7,730 5,731 6,736 1,740 3,743 6,745 16,746 10,762 1,764 31,765 5,766 2,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,823 1,825 1,827 33,833 7,834 1,837 2,838 1,844 1,846 1,854 15.833,855 11.443,856 7.194,857 4.088,858 3.565,859 1.432,860 1.007,861 6.748,862 11.818,863 3.882,864 4.466,865 5.051,866 5.623,867 6.068,868 6.399,869 6.802,870 7.21,871 7.404,872 7.617,873 1,874 48,875 12.217,877 5.194,878 7.566,879 24.061,881 20.362,883 2.066,884 68.167,888 341.362,889 140.865,890 73.146,893 14.96,895 140.865,896 341.362,897 88.106,898 8.825,899 16.455,900 93.392,901 74.105,902 42.631,903 28.875,904 306.049,906 341.362,907 214.011,908 14.96,911 250.382,912 105.94,915 82.337,916 98.347,917 33.326,919 356.322,920 73.146,921 140.865,924 341.362,925 39.421,926 106.467,927 34.796,928 48.286,929 341.362,930 88.106,931 140.865,933 0.58,934 0.337,935 0.177,936 0.092,937 25,938 10,939 0.118,940 8,941 1,942 1.077,943 4.693,944 294.783,945 0.077,946 26,947 154.465,951 22.121,952 10.066,953 5.286,954 2.447,955 69.421,956 18.861,957 7.822,958 3.406,961 3.412,962 1.936,963 34.796,964 570.333,965 47.5,975 63.61,976 72.727,977 0.241,978 0.607,979 0.807,980 0.869,981 0.883,982 0.883,983 5.113,984 1.776,985 5.989,986 5.901,987 4.635,988 5.153,989 1.038,990 6.763,991 4.556,992 6.293,993 1.345,994 7.522,995 4.655,996 4.111,997 4.844,998 0.325,999 7.573,1000 3.981,1001 7.58,1002 1.263,1003 9.153,1004 3.491,1005 6.196,1006 7.326,1007 0.607,1008 10.647,1009 6.047,1010 8.904,1011 1.109,1012 10.841,1013 3.331,1014 6.524,1015 7.94,1016 0.268,1017 12.311,1018 6.331,1019 10.264,1020 1,1021 12.568,1022 2.512,1023 8.026,1024 9.836,1025 0.359,1026 14.876,1027 7.819,1028 11.648,1029 1,1030 14.322,1031 2.275,1032 8.746,1033 10.893,1034 0.188,1035 16.899,1036 8.507,1037 13.052,1038 0.893,1039 16.095,1040 2.275,1041 10.011,1042 12.549,1043 0.214,1044 19.293,1045 9.756,1046 3.118,1047 0.618,1048 17.882,1049 2.094,1050 10.923,1051 13.829,1052 0.125,1053 21.477,1054 10.645,1055 2.857,1056 10.431,1057 19.682,1058 1.461,1059 12.086,1060 15.385,1061 0.129,1062 23.815,1063 11.793,1064 2.753,1065 8.884,1066 21.491,1067 4.518,1068 13.094,1069 16.776,1070 0.082,1071 26.072,1072 12.783,1073 2.615,1074 8.72,1075 23.308,1076 3.731,1077 14.217,1078 18.292,1079 0.079,1080 28.395,1081 13.892,1082 2.317,1083 7.339,1084 25.132,1085 3.669,1086 15.274,1087 19.738,1088 0.054,1089 30.688,1090 14.934,1091 2.118,1092 6.438,1093 26.962,1094 2.877,1095 16.384,1096 21.241,1097 0.048,1098 33.01,1099 16.03,1100 2.013,1101 6.002,1102 28.796,1103 2.813,1104 17.466,1105 22.714,1106 0.035,1107 35.322,1108 17.099,1109 18024,1110 28224,1111 25.542,1112 41.87,1113 55.664,1114 55.264,1115 55.741,1116 55.143,1117 55.08,1118 70.64,1119 2.915,1120 155.05,1121 52.868,1122 5.568,1123 5.197,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 11.441,1132 1.504,1133 1.494,1134 1.507,1135 1.49,1136 1.489,1137 1.909,1138 0.079,1139 4.191,1140 1.429,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 8.201,1146 4.07,1147 3.962,1148 4.008,1149 3.892,1150 3.874,1151 5.135,1152 3.873,1153 3.85,1154 3.913,1155 3.79,1156 3.702,1157 4.927,1158 3.701,1159 3.82,1160 3.888,1161 3.731,1162 3.585,1163 4.664,1164 3.623,1165 3.554,1166 3.625,1167 3.416,1168 3.395,1169 4.38,1170 3.394,1171 3.416,1172 3.489,1173 3.283,1174 3.253,1175 4.258,1176 3.248,1177 3.273,1178 3.343,1179 3.151,1180 3.112,1181 4.111,1182 3.113,1183 3.111,1184 3.206,1185 2.893,1186 2.941,1187 3.904,1188 2.91,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.197,1197 0.022,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.082,1210 2.071,1211 1.43,1212 2.079,1213 1.928,1214 1.896,1215 2.04,1216 2.048,1217 1.28,1218 2.046,1219 1.83,1220 1.771,1221 2,1222 1.981,1223 1.178,1224 1.99,1225 1.663,1226 1.608,1227 1.872,1228 1.83,1229 1.113,1230 1.847,1231 1.44,1232 1.368,1233 1.698,1234 1.68,1235 0.825,1236 1.676,1237 1.397,1238 1.327,1239 1.585,1240 1.631,1241 0.82,1242 1.63,1243 1.306,1244 1.239,1245 1.513,1246 1.505,1247 0.747,1248 1.518,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.581,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.127,1260 5.283,1261 8.703,1262 7.286,1263 10.323,1265 2.162,1267 13.163,1271 7.887,1272 3.726,1275 0.762,1276 2.582,1280 39.36,1281 92.699,1282 232.909,1283 309.819,1284 333.735,1285 339.245,1286 339.245,1287 48.558,1288 8.252,1289 61.77,1290 61.77,1291 28,1292 12.638,1293 4.459,1294 3.524,1295 48.343,1296 184,1297 175,1298 0.125,1299 238.822,1300 401.27,1301 574.485,1302 55571,1303 1.6,1304 22.623,1305 0.686,1306 0.577,1307 21.753,1308 19.045,1309 16.153,1310 0.437,1311 0.32,1312 11.695,1313 15.554,1314 11.453,1315 9.464,1316 15.759,1317 11.844,1318 14.43,1319 0.283,1320 0.178,1321 13.808,1322 9.072,1323 12.393,1324 0.185,1325 0.102,1326 11.982,1327 6.832,1328 10.093,1329 0.119,1330 0.057,1331 9.941,1332 4.885,1333 7.795,1334 0.076,1335 0.033,1336 7.584,1337 3.411,1338 0.207,1339 100.834,1340 0.198,1341 31.706,1342 0.317,1343 176,1344 471.357,1345 190.988,1346 439.591,1347 608.04,1348 414,1349 206,1350 457.387,1351 221.372,1352 459.028,1353 665.28,1354 433,1355 8.721} {0 CHEMBL146335,1 1.462,2 17.143,3 2.4,4 5.759,5 140.739,6 6.936,7 0.538,8 4.31,9 4.453,10 3.825,11 3.823,12 5.329,13 3.793,14 4.87,15 5.069,16 4.158,17 4.241,18 5.818,19 4.178,20 5.144,21 5.384,22 4.119,23 4.39,24 5.989,25 4.272,26 5.227,27 5.498,28 4.044,29 4.402,30 6.003,31 4.247,32 5.215,33 5.504,34 3.974,35 4.332,36 5.966,37 4.167,38 5.104,39 5.384,40 3.938,41 4.251,42 5.865,43 4.106,44 5.041,45 5.311,46 3.906,47 4.209,48 5.802,49 4.062,50 5.042,51 5.329,52 3.771,53 4.13,54 5.807,55 3.97,56 0.084,57 1.071,58 15.379,59 5.834,60 12.318,61 8.491,62 0.301,63 1.714,64 28.497,65 9.852,66 27.781,67 14.743,68 0.358,69 2.028,70 38.825,71 13.36,72 41.98,73 20.013,74 0.336,75 2.091,76 42.715,77 15.308,78 41.451,79 23.051,80 0.348,81 1.974,82 42.945,83 15.245,84 46.302,85 22.981,86 0.381,87 1.829,88 38.279,89 13.059,90 38.701,91 19.829,92 0.286,93 1.763,94 35.411,95 12.429,96 31.125,97 18.906,98 0.432,99 1.686,100 36.384,101 11.556,102 43.69,103 17.985,104 7,105 53,106 0.229,107 0.581,108 0.772,109 0.827,110 0.846,111 0.846,112 3.588,113 0.955,114 -4.64,115 -4.56,116 -4.29,119 39.7,120 1,121 4,125 4,127 1,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 9,171 2,172 6,174 1,176 9,178 10,182 3,186 7,189 7,193 8,195 1,197 4,199 9,203 8,206 1,211 10,215 6,218 1,219 1,220 1,222 8,226 5,229 2,231 1,233 2,236 1,237 5,240 1,242 6,244 3,254 1,256 5,259 2484,260 24.101,261 24.101,262 24.101,263 24.101,264 24.101,265 21.483,266 34.612,267 14.436,268 24.521,269 19.302,270 19.302,271 19.302,272 19.302,273 19.302,274 15.381,275 48.048,276 6.918,277 19.986,278 4.625,279 2.376,280 1.161,281 0.809,282 0.688,283 0.688,284 4.298,289 1,290 1327,291 3.674,294 197.274,295 373.244,298 169.446,302 2.824,303 19.504,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 74.5,315 600,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.196,327 6.095,328 3.692,329 2.753,330 3.731,331 0.8,332 8.884,333 2.653,334 4.061,335 2.93,336 5.552,337 3.686,338 2.712,339 3.648,340 0.657,341 7.564,342 2.578,343 3.686,344 2.881,345 5.481,346 3.592,347 2.636,348 2.904,349 0.149,350 7.365,351 2.516,352 3.606,353 2.796,354 5.227,355 3.325,356 2.35,357 2.813,359 6.657,360 2.294,361 3.432,362 2.48,363 5.133,364 3.136,365 2.174,366 2.649,368 6.259,369 2.081,370 3.286,371 2.274,372 5.078,373 2.995,374 2.02,375 2.589,377 5.991,378 1.959,379 3.249,380 2.177,381 4.514,382 2.854,383 1.836,384 2.449,386 4.655,387 1.856,388 3.16,389 1.795,390 4.397,391 2.73,392 1.776,393 2.187,395 4.505,396 1.69,397 2.742,398 1.375,399 4.134,400 2.316,401 1.331,402 1.847,404 3.482,405 1.31,406 2.5,407 1.191,408 3.485,409 2.099,410 1.135,411 1.5,413 2.563,414 1.091,415 2.429,416 1.077,417 3.414,418 2,419 1,420 1.404,422 2.275,423 1,424 2.265,425 1.043,426 3.414,427 1.984,428 1,429 1.209,431 2.275,432 0.983,433 2.118,434 1,435 3.326,436 1.868,437 0.905,438 1,440 2.113,441 0.869,442 2.012,443 0.918,444 3.236,445 1.716,446 0.766,447 0.927,449 1.792,450 0.725,451 16.633,452 0.475,453 0.708,454 0.02,455 43.25,456 1.236,457 20,458 0.571,459 23.25,460 0.664,461 32.109,462 0.917,463 37.967,464 0.558,465 30.852,466 0.881,467 8.384,468 0.24,469 8.752,470 0.25,471 0.05,473 0.289,479 0.837,480 1.405,481 0.856,482 1.13,483 0.576,484 1.012,485 0.915,486 1.137,487 0.973,488 1.029,489 0.547,490 1.004,491 1.126,492 1.054,493 1.113,494 1.059,495 1.01,496 1.082,497 0.698,498 1.017,499 1.003,500 1.095,501 0.494,502 1.084,503 0.685,504 0.957,505 0.877,506 0.998,507 0.721,508 0.97,509 0.817,510 0.909,511 0.941,512 0.948,513 0.723,514 0.957,515 0.637,516 1.109,517 0.971,518 1.125,519 0.471,520 1.092,521 0.956,522 0.95,523 1.062,524 0.987,525 0.837,526 1.026,527 6.5,528 0.148,529 3.333,530 1.132,531 1.388,532 0.937,533 0.524,534 0.336,535 0.233,536 0.198,537 23911,538 57414,539 2.158,540 48.5,541 2,542 16,543 1,544 2,545 3,546 3,547 2,548 4,550 1.758,551 2.079,552 4.017,553 0.792,559 99.449,560 1.462,561 3.711,562 4.927,563 5.278,564 5.4,565 5.4,566 3.511,567 4.672,568 5.099,569 4.257,570 2533.16,571 8.898,572 44374.7,577 413.947,578 1.15,579 5.086,580 0.167,581 0.005,582 0.063,583 0.023,584 0.032,585 0.023,586 0.013,587 0.009,588 0.007,589 0.007,590 0.348,591 0.17,592 0.75,593 0.676,594 197.122,595 0.027,596 -0.145,597 0.067,598 -0.04,599 0.041,600 0.008,601 0.034,602 0.021,603 -0.016,604 -0.004,605 0.108,606 -0.013,607 -0.173,608 -0.021,609 -0.145,610 -0.046,611 -0.091,612 -0.085,613 0.001,614 -0.056,615 -0.045,616 -0.078,617 0.062,618 -0.068,619 0.064,620 -0.057,621 0.093,622 0.011,623 0.058,624 0.047,625 0.01,626 0.04,627 0.035,628 0.043,629 -0.007,630 0.042,631 0.07,632 -0.137,633 -0.011,634 -0.119,635 0.018,636 -0.083,637 -0.025,639 -0.07,640 -0.028,641 -0.049,642 -0.05,643 1.707,644 4.154,645 0.743,646 48.712,647 0.993,648 1.134,649 3.409,650 11.622,651 0.653,652 3.689,653 3.989,654 4.234,655 4.477,656 4.654,657 4.727,658 4.86,659 4.977,660 5.024,661 5.088,662 10.015,663 0.613,664 471.67,665 3.689,666 5.22,667 6.057,668 6.917,669 7.768,670 8.631,671 9.49,672 10.356,673 11.22,674 12.089,675 10.3,677 1,678 1,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 68,716 22,717 2,718 39,720 72,721 27,722 16,723 5,724 7,730 5,731 6,736 1,740 3,743 5,745 17,746 10,750 1,755 1,759 1,764 33,765 6,766 3,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,814 1,815 1,819 4,823 1,827 35,833 8,834 2,837 1,838 1,844 1,847 1.5,850 1,854 16.833,855 12.133,856 7.667,857 4.219,858 3.739,859 1.443,860 1.006,861 7.576,862 12.175,863 3.942,864 4.511,865 5.064,866 5.648,867 6.094,868 6.428,869 6.859,870 7.259,871 7.423,872 7.643,873 1,874 49,875 12.923,877 5.42,878 7.543,879 25.443,881 21.226,883 2.043,884 71.5,888 353.133,889 141.311,890 91.156,892 25.145,895 141.311,896 378.278,897 91.156,898 8.825,899 36.572,900 93.392,901 103.955,902 36.267,903 13.915,904 317.82,906 353.133,907 232.467,908 25.145,911 282.506,912 95.772,915 102.454,916 96.688,917 33.326,919 353.133,920 116.301,921 141.311,924 353.133,925 39.867,926 106.467,927 52.807,928 58.471,929 353.133,930 116.301,931 141.311,933 0.575,934 0.323,935 0.174,936 0.091,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.931,944 311.967,945 0.077,946 26,947 167.525,951 23.741,952 11.169,953 6.176,954 2.456,955 97.617,956 20.129,957 7.833,958 3.413,961 4.545,962 1.94,963 52.807,964 610.745,965 50.5,970 11.154,974 -0.04,975 67.527,976 77.095,977 0.24,978 0.61,979 0.809,980 0.867,981 0.887,982 0.887,983 5.166,984 1.836,985 6.014,986 5.991,987 4.673,988 5.198,989 2.183,990 6.767,991 4.607,992 6.342,993 1.776,994 7.531,995 4.655,996 4.111,997 4.89,998 1.668,999 7.535,1000 4.022,1001 7.625,1002 1.331,1003 9.143,1004 4.505,1005 6.213,1006 7.355,1007 2.949,1008 10.599,1009 6.081,1010 8.943,1011 1.135,1012 10.814,1013 3.482,1014 6.494,1015 7.957,1016 3.047,1017 12.235,1018 6.335,1019 10.295,1020 1,1021 12.524,1022 2.563,1023 8.012,1024 9.848,1025 4.045,1026 14.791,1027 7.822,1028 11.672,1029 1,1030 14.261,1031 2.275,1032 8.694,1033 10.897,1034 4.412,1035 16.806,1036 8.478,1037 13.068,1038 0.905,1039 16.02,1040 2.275,1041 9.966,1042 12.551,1043 5.252,1044 19.198,1045 9.726,1046 3.118,1047 0.766,1048 17.795,1049 2.113,1050 10.853,1051 13.827,1052 5.75,1053 21.385,1054 10.591,1055 2.753,1056 10.431,1057 19.584,1058 1.792,1059 12.02,1060 15.383,1061 6.501,1062 23.726,1063 11.737,1064 2.712,1065 8.884,1066 21.385,1067 4.518,1068 13.013,1069 16.772,1070 7.068,1071 25.991,1072 12.712,1073 2.636,1074 7.564,1075 23.195,1076 3.731,1077 14.136,1078 18.289,1079 7.771,1080 28.32,1081 13.819,1082 2.35,1083 7.365,1084 25.014,1085 3.648,1086 15.185,1087 19.734,1088 8.374,1089 30.622,1090 14.852,1091 2.174,1092 6.657,1093 26.841,1094 2.904,1095 16.295,1096 21.237,1097 9.051,1098 32.95,1099 15.947,1100 2.02,1101 6.259,1102 28.673,1103 2.813,1104 17.374,1105 22.711,1106 9.674,1107 35.27,1108 17.013,1109 22075,1110 34380,1111 26.929,1112 44.393,1113 58.177,1114 58.194,1115 57.999,1116 57.566,1117 57.636,1118 74.262,1119 7.027,1120 159.697,1121 55.765,1122 5.568,1123 5.533,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 12.454,1132 1.492,1133 1.492,1134 1.487,1135 1.476,1136 1.478,1137 1.904,1138 0.18,1139 4.095,1140 1.43,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 7.43,1146 4.07,1147 3.96,1148 4.006,1149 3.888,1150 3.872,1151 5.135,1152 3.871,1153 3.855,1154 3.917,1155 3.79,1156 3.703,1157 4.927,1158 3.703,1159 3.822,1160 3.893,1161 3.734,1162 3.585,1163 4.754,1164 3.623,1165 3.567,1166 3.632,1167 3.457,1168 3.393,1169 4.39,1170 3.393,1171 3.514,1172 3.568,1173 3.383,1174 3.308,1175 4.258,1176 3.328,1177 3.314,1178 3.385,1179 3.206,1180 3.138,1181 4.113,1182 3.145,1183 3.216,1184 3.299,1185 3.065,1186 3.026,1187 3.946,1188 3.023,1189 0.117,1190 0.091,1191 0.168,1192 0.105,1193 0.08,1194 4.568,1195 0.116,1196 3.533,1197 0.049,1198 6.566,1199 0.267,1200 4.099,1201 0.079,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.079,1210 2.068,1211 1.428,1212 2.076,1213 1.927,1214 1.894,1215 2.04,1216 2.047,1217 1.278,1218 2.046,1219 1.834,1220 1.774,1221 2.006,1222 1.993,1223 1.158,1224 2,1225 1.663,1226 1.607,1227 1.873,1228 1.833,1229 1.113,1230 1.849,1231 1.466,1232 1.412,1233 1.714,1234 1.72,1235 0.825,1236 1.715,1237 1.409,1238 1.337,1239 1.597,1240 1.666,1241 0.786,1242 1.647,1243 1.338,1244 1.273,1245 1.513,1246 1.557,1247 0.733,1248 1.556,1249 1.198,1250 1.12,1251 1.512,1252 1.442,1253 0.647,1254 1.453,1255 4.369,1257 5.673,1258 3.045,1259 7.154,1260 5.283,1261 8.716,1262 7.286,1263 10.323,1265 1.529,1271 8.868,1272 6.518,1275 0.561,1276 2.595,1280 41.713,1281 99.449,1282 252.373,1283 335.012,1284 358.928,1285 367.193,1286 367.193,1287 49.59,1288 8.436,1289 90.87,1290 90.87,1291 28,1292 12.634,1293 4.524,1294 3.644,1295 52.851,1296 214,1297 206,1298 0.117,1299 255.079,1300 429.65,1301 614.153,1302 72080,1304 24.037,1305 0.687,1306 0.577,1307 24.037,1308 20.205,1309 17.136,1310 0.439,1311 0.318,1312 12.255,1313 16.507,1314 11.981,1315 9.926,1316 17.136,1317 12.412,1318 15.29,1319 0.288,1320 0.177,1321 15.29,1322 9.391,1323 12.577,1324 0.185,1325 0.101,1326 12.577,1327 6.845,1328 10.467,1329 0.12,1330 0.056,1331 10.467,1332 4.893,1333 8.094,1334 0.078,1335 0.033,1336 8.094,1337 3.444,1338 0.195,1339 106.898,1340 0.193,1341 33.561,1342 0.29,1343 184,1344 461.315,1345 199.092,1346 454.593,1347 631.22,1348 428,1349 213,1350 474.662,1351 228.289,1352 482.61,1353 694.9,1354 454,1355 8.412} {0 CHEMBL146338,1 1.435,2 17.919,3 3.355,4 11.258,5 149.975,6 6.753,7 0.512,8 4.385,9 4.529,10 3.875,11 3.897,12 5.385,13 3.86,14 4.953,15 5.157,16 4.211,17 4.32,18 5.874,19 4.249,20 5.238,21 5.481,22 4.194,23 4.486,24 6.062,25 4.362,26 5.342,27 5.613,28 4.134,29 4.514,30 6.106,31 4.353,32 5.355,33 5.652,34 4.054,35 4.452,36 6.085,37 4.277,38 5.238,39 5.523,40 4.016,41 4.377,42 5.956,43 4.214,44 5.2,45 5.481,46 4.003,47 4.341,48 5.924,49 4.184,50 5.194,51 5.482,52 3.907,53 4.293,54 5.952,55 4.126,56 0.097,57 1.148,58 17.178,59 6.502,60 13.662,61 9.559,62 0.322,63 1.843,64 31.629,65 11.021,66 30.506,67 16.614,68 0.375,69 2.214,70 42.915,71 15.006,72 43.21,73 22.582,74 0.335,75 2.333,76 47.815,77 17.215,78 44.565,79 26.092,80 0.443,81 2.24,82 49.324,83 17.322,84 53.273,85 26.27,86 0.381,87 2.054,88 43.527,89 15.465,90 39.817,91 23.396,92 0.359,93 2.018,94 41.802,95 14.431,96 36.008,97 22.179,98 0.458,99 1.946,100 42.057,101 13.837,102 47.183,103 21.439,104 12,105 56,106 0.221,107 0.565,108 0.77,109 0.833,110 0.85,111 0.85,112 3.641,113 0.976,114 -5.03,115 -4.93,116 -4.62,119 39.2,120 2,121 4,122 1,125 4,127 1,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 11,171 2,172 6,174 1,176 9,178 11,182 4,186 9,189 9,193 8,197 4,199 11,203 8,206 2,211 13,215 5,218 1,219 1,220 1,222 11,226 5,229 2,231 1,233 7,236 1,237 6,240 1,242 5,244 4,249 2,254 4,256 5,259 2889,260 25.308,261 25.308,262 25.308,263 25.308,264 25.308,265 22.714,266 33.993,267 15.075,268 25.733,269 20.263,270 20.263,271 20.263,272 20.263,273 20.263,274 16.365,275 40.496,276 7.193,277 20.946,278 4.774,279 2.546,280 1.219,281 0.808,282 0.696,283 0.696,284 4.349,289 1,290 1459,291 4.062,294 213.571,295 404.493,298 184.126,302 2.907,303 20.3,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 78.5,315 663,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.133,326 3.196,327 6.095,328 3.819,329 2.836,330 3.731,331 0.8,332 8.884,333 2.788,334 4.129,335 3.102,336 6.032,337 3.69,338 2.753,339 3.694,340 0.657,341 8.602,342 2.58,343 3.753,344 2.896,345 5.492,346 3.614,347 2.652,348 3,349 0.149,350 7.391,351 2.558,352 3.65,353 2.863,354 5.409,355 3.463,356 2.491,357 2.813,359 7.142,360 2.417,361 3.433,362 2.488,363 5.15,364 3.175,365 2.216,366 2.657,368 6.384,369 2.115,370 3.343,371 2.338,372 5.108,373 3.001,374 2.023,375 2.59,377 5.994,378 1.976,379 3.253,380 2.178,381 4.514,382 2.947,383 1.927,384 2.507,386 4.655,387 1.945,388 3.195,389 1.795,390 4.455,391 2.73,392 1.776,393 2.216,395 4.639,396 1.69,397 2.743,398 1.617,399 4.135,400 2.386,401 1.417,402 1.848,404 3.678,405 1.369,406 2.621,407 1.366,408 4.125,409 2.305,410 1.322,411 1.634,413 3.479,414 1.297,415 2.5,416 1.163,417 3.476,418 2.091,419 1.125,420 1.5,422 2.542,423 1.084,424 2.426,425 1.077,426 3.414,427 2,428 1,429 1.4,431 2.275,432 1,433 2.258,434 1,435 3.414,436 1.984,437 1,438 1.2,440 2.275,441 0.983,442 2.118,443 0.942,444 3.319,445 1.863,446 0.898,447 1,449 2.102,450 0.865,451 17.633,452 0.477,453 0.797,454 0.022,455 44.25,456 1.196,457 20,458 0.541,459 24.25,460 0.655,461 36.92,462 0.998,463 40.567,464 0.548,465 31.924,466 0.863,467 8.372,468 0.226,469 9.675,470 0.261,471 0.076,473 0.301,479 0.836,480 1.413,481 0.887,482 1.154,483 0.597,484 1.042,485 0.902,486 1.135,487 0.971,488 1.034,489 0.538,490 1.007,491 1.097,492 1.056,493 1.098,494 1.061,495 0.978,496 1.078,497 0.711,498 1.083,499 1.013,500 1.126,501 0.503,502 1.104,503 0.722,504 0.902,505 0.903,506 0.965,507 0.725,508 0.958,509 0.7,510 0.959,511 0.916,512 0.999,513 0.653,514 0.987,515 0.678,516 1.032,517 0.951,518 1.044,519 0.472,520 1.027,521 0.9,522 0.935,523 1.038,524 0.993,525 0.757,526 1.021,527 7,528 0.14,529 4,530 1.507,531 1.428,532 1.167,533 0.667,534 0.339,535 0.282,536 0.241,537 27677,538 64352,539 2.133,540 50,541 2,542 16,543 1,544 2,545 3,546 3,547 10,550 1.772,551 2.037,552 4.082,553 0.755,559 106.217,560 1.435,561 3.663,562 4.991,563 5.402,564 5.513,565 5.513,566 3.517,567 4.703,568 5.181,569 4.321,570 2877.58,571 9.061,572 52815.6,577 459.5,578 1.241,579 5.159,580 0.171,581 0.005,582 0.071,583 0.028,584 0.03,585 0.027,586 0.016,587 0.008,588 0.008,589 0.008,590 0.37,591 0.17,592 0.75,593 0.716,594 212.126,595 0.038,596 -0.138,597 0.067,598 -0.038,599 0.037,600 0.007,601 0.05,602 0.028,603 0.003,604 0.008,605 0.123,606 0.002,607 -0.155,608 -0.014,609 -0.125,610 -0.037,611 -0.071,612 -0.072,613 -0.018,614 -0.11,615 -0.058,616 -0.105,617 0.052,618 -0.088,619 0.055,620 0.009,621 0.066,622 0.028,623 0.04,624 0.044,625 0.056,626 -0.02,627 0.049,628 0.006,629 0.027,630 0.021,631 0.053,632 -0.065,633 0.015,634 -0.05,635 0.017,636 -0.027,637 -0.006,638 0.021,639 -0.056,640 -0.024,641 -0.002,642 -0.04,643 1.707,644 4.208,645 0.703,646 52.304,647 0.99,648 1.134,649 3.803,650 14.462,651 0.648,652 3.738,653 4.043,654 4.29,655 4.522,656 4.691,657 4.779,658 4.905,659 5.004,660 5.024,661 5.088,662 10.453,663 0.605,664 499.73,665 3.738,666 5.273,667 6.111,668 6.973,669 7.825,670 8.69,671 9.549,672 10.417,673 11.281,674 12.151,675 9.5,677 1,678 1,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 74,716 22,717 2,718 41,720 78,721 29,722 16,723 5,724 7,730 5,731 6,736 2,740 2,741 1,743 5,745 17,746 12,747 1,750 1,755 1,759 1,764 37,765 6,766 3,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,814 1,815 1,819 4,823 2,827 37,833 8,834 2,837 2,838 1,844 1,847 1.4,850 1,854 18.167,855 13.467,856 8.111,857 4.677,858 3.692,859 1.434,860 0.991,861 8.347,862 12.199,863 3.98,864 4.543,865 5.095,866 5.67,867 6.111,868 6.455,869 6.879,870 7.263,871 7.409,872 7.631,873 0.917,874 53,875 13.676,877 5.721,878 7.523,879 27.016,881 22.584,883 2.023,884 74.833,888 400.217,889 150.136,890 91.156,892 25.145,895 150.136,896 425.362,897 91.156,898 17.65,899 36.572,900 93.392,901 103.955,902 36.267,903 13.915,904 364.904,906 400.217,907 241.293,908 25.145,911 282.506,912 142.856,915 111.279,916 96.688,917 33.326,919 400.217,920 116.301,921 150.136,924 400.217,925 39.867,926 115.292,927 52.807,928 58.471,929 400.217,930 116.301,931 150.136,933 0.577,934 0.327,935 0.173,936 0.089,937 26,938 11,939 0.128,940 10,941 1,942 1.077,943 5.064,944 335.634,945 0.077,946 26,947 180.75,951 25.654,952 12.039,953 6.667,954 2.466,955 97.617,956 20.21,957 7.848,958 3.422,961 4.559,962 1.944,963 52.807,964 666.655,965 52.5,970 11.208,974 -0.04,975 73.294,976 83.926,977 0.231,978 0.59,979 0.804,980 0.87,981 0.888,982 0.888,983 5.211,984 1.927,985 6.075,986 5.994,987 4.727,988 5.231,989 2.183,990 6.838,991 4.665,992 6.387,993 1.776,994 7.602,995 4.655,996 4.205,997 4.934,998 1.668,999 7.636,1000 4.124,1001 7.671,1002 1.417,1003 9.226,1004 4.639,1005 6.279,1006 7.379,1007 2.949,1008 10.697,1009 6.156,1010 8.989,1011 1.322,1012 10.907,1013 3.678,1014 6.594,1015 7.989,1016 3.047,1017 12.348,1018 6.451,1019 10.343,1020 1.125,1021 12.627,1022 3.479,1023 8.094,1024 9.869,1025 4.045,1026 14.903,1027 7.919,1028 11.721,1029 1,1030 14.374,1031 2.542,1032 8.8,1033 10.921,1034 4.412,1035 16.917,1036 8.604,1037 13.119,1038 1,1039 16.141,1040 2.275,1041 10.062,1042 12.57,1043 5.252,1044 19.303,1045 9.841,1046 3.118,1047 0.898,1048 17.923,1049 2.275,1050 10.963,1051 13.847,1052 5.75,1053 21.482,1054 10.723,1055 2.836,1056 10.431,1057 19.717,1058 2.102,1059 12.124,1060 15.399,1061 6.501,1062 23.814,1063 11.862,1064 2.753,1065 8.884,1066 21.521,1067 4.518,1068 13.123,1069 16.787,1070 7.068,1071 26.07,1072 12.844,1073 2.652,1074 8.602,1075 23.334,1076 3.731,1077 14.242,1078 18.301,1079 7.771,1080 28.389,1081 13.946,1082 2.491,1083 7.391,1084 25.153,1085 3.694,1086 15.292,1087 19.746,1088 8.374,1089 30.682,1090 14.981,1091 2.216,1092 7.142,1093 26.979,1094 3,1095 16.398,1096 21.247,1097 9.051,1098 33.002,1099 16.071,1100 2.023,1101 6.384,1102 28.81,1103 2.813,1104 17.476,1105 22.719,1106 9.674,1107 35.315,1108 17.134,1109 25655,1110 39323,1111 28.027,1112 47.915,1113 61.342,1114 61.338,1115 61.537,1116 60.579,1117 60.661,1118 77.276,1119 7.027,1120 169.171,1121 58.789,1122 5.568,1123 5.533,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 15.403,1132 1.496,1133 1.496,1134 1.501,1135 1.478,1136 1.48,1137 1.885,1138 0.171,1139 4.126,1140 1.434,1141 4.155,1142 4.194,1143 4.114,1144 4.063,1145 7.43,1146 4.071,1147 3.97,1148 4.014,1149 3.898,1150 3.885,1151 5.135,1152 3.883,1153 3.873,1154 3.931,1155 3.79,1156 3.737,1157 4.927,1158 3.732,1159 3.825,1160 3.899,1161 3.751,1162 3.588,1163 4.758,1164 3.625,1165 3.604,1166 3.673,1167 3.493,1168 3.417,1169 4.385,1170 3.421,1171 3.532,1172 3.591,1173 3.4,1174 3.352,1175 4.262,1176 3.36,1177 3.413,1178 3.48,1179 3.277,1180 3.222,1181 4.212,1182 3.226,1183 3.288,1184 3.356,1185 3.166,1186 3.129,1187 3.965,1188 3.129,1189 0.111,1190 0.086,1191 0.16,1192 0.1,1193 0.076,1194 4.568,1195 0.11,1196 3.533,1197 0.047,1198 6.566,1199 0.254,1200 4.099,1201 0.075,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.937,1209 2.093,1210 2.071,1211 1.468,1212 2.082,1213 1.937,1214 1.905,1215 2.045,1216 2.049,1217 1.287,1218 2.048,1219 1.86,1220 1.803,1221 2.025,1222 2.012,1223 1.204,1224 2.02,1225 1.674,1226 1.618,1227 1.884,1228 1.844,1229 1.122,1230 1.86,1231 1.524,1232 1.461,1233 1.762,1234 1.763,1235 0.896,1236 1.763,1237 1.42,1238 1.351,1239 1.675,1240 1.672,1241 0.825,1242 1.661,1243 1.389,1244 1.322,1245 1.6,1246 1.624,1247 0.8,1248 1.628,1249 1.325,1250 1.259,1251 1.513,1252 1.525,1253 0.704,1254 1.539,1255 4.419,1257 5.727,1258 3.045,1259 7.212,1260 5.283,1261 8.777,1262 7.286,1263 10.387,1265 3.743,1271 9.286,1272 6.544,1275 1.021,1276 2.623,1280 44.767,1281 106.217,1282 271.08,1283 369.319,1284 399.725,1285 407.99,1286 407.99,1287 56.288,1288 8.507,1289 90.87,1290 90.87,1291 28,1292 12.695,1293 4.524,1294 3.644,1295 57.436,1296 237,1297 223,1298 0.114,1299 274.264,1300 464.25,1301 660.963,1302 79790,1304 25.614,1305 0.692,1306 0.589,1307 25.614,1308 21.782,1309 18.047,1310 0.44,1311 0.325,1312 13.175,1313 17.415,1314 12.834,1315 10.662,1316 18.047,1317 13.333,1318 16.162,1319 0.289,1320 0.183,1321 16.162,1322 10.235,1323 13.354,1324 0.185,1325 0.105,1326 13.354,1327 7.539,1328 10.967,1329 0.121,1330 0.058,1331 10.967,1332 5.295,1333 8.369,1334 0.077,1335 0.035,1336 8.369,1337 3.749,1338 0.191,1339 112.362,1340 0.189,1341 35.117,1342 0.284,1343 194,1344 471.315,1345 209.092,1346 465.232,1347 647.06,1348 438,1349 225,1350 487.662,1351 240.289,1352 496.235,1353 715.1,1354 467,1355 8.824} {0 CHEMBL146391,1 1.337,2 15.697,3 4.235,4 17.934,5 136.892,6 6.607,7 0.568,8 4.285,9 4.43,10 3.767,11 3.819,12 5.245,13 3.773,14 4.858,15 5.062,16 4.091,17 4.249,18 5.708,19 4.167,20 5.147,21 5.4,22 4.071,23 4.408,24 5.882,25 4.267,26 5.25,27 5.528,28 3.987,29 4.414,30 5.949,31 4.238,32 5.253,33 5.561,34 3.907,35 4.341,36 5.895,37 4.154,38 5.124,39 5.413,40 3.886,41 4.276,42 5.784,43 4.107,44 5.098,45 5.382,46 3.876,47 4.248,48 5.797,49 4.08,50 5.076,51 5.375,52 3.727,53 4.178,54 5.745,55 3.995,56 0.104,57 1.036,58 15.848,59 6.054,60 13.848,61 8.927,62 0.265,63 1.692,64 28.97,65 10.277,66 22.544,67 15.473,68 0.271,69 2.04,70 38.951,71 14.406,72 28.162,73 21.641,74 0.3,75 2.145,76 43.508,77 15.894,78 34.776,79 24.054,80 0.379,81 2.057,82 44.162,83 15.774,84 35.89,85 23.987,86 0.294,87 1.867,88 38.457,89 14.035,90 27.324,91 21.214,92 0.304,93 1.838,94 37.476,95 13.583,96 29.892,97 20.547,98 0.34,99 1.755,100 37.057,101 12.654,102 30.371,103 19.486,104 2,105 50,106 0.211,107 0.544,108 0.744,109 0.826,110 0.846,111 0.846,112 3.531,113 0.991,114 -5.55,115 -5.42,116 -5.06,119 40.3,120 1,121 4,122 1,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 5,176 6,178 13,182 4,186 7,189 10,193 6,197 3,199 9,203 6,206 2,208 1,211 12,215 4,218 1,222 10,226 5,229 2,231 1,233 8,236 1,237 5,242 3,244 5,249 2,254 2,256 5,259 2027,260 22.999,261 22.999,262 22.999,263 22.999,264 22.999,265 20.585,266 27.153,267 13.84,268 23.402,269 18.297,270 18.297,271 18.297,272 18.297,273 18.297,274 14.737,275 30.737,276 6.603,277 18.943,278 4.729,279 2.613,280 1.34,281 0.821,282 0.698,283 0.698,284 4.243,289 1,290 1155,291 3.464,294 180.964,295 347.665,298 154.763,302 2.531,303 12.701,306 0.75,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.84,314 69,315 518,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.093,327 6.095,328 3.779,329 2.797,330 3.731,331 0.657,332 8.884,333 2.749,334 4.047,335 2.895,336 6.02,337 3.69,338 2.753,339 3.538,341 8.548,342 2.579,343 3.657,344 2.862,345 5.49,346 3.603,347 2.641,348 2.813,350 7.384,351 2.55,352 3.433,353 2.365,354 5.15,355 3.179,356 2.223,357 2.66,359 6.388,360 2.117,361 3.261,362 2.179,363 5.109,364 3,365 2.024,366 2.59,368 5.994,369 1.968,370 3.232,371 1.888,372 4.514,373 2.778,374 1.797,375 2.349,377 4.655,378 1.762,379 3.09,380 1.794,381 4.285,382 2.73,383 1.775,384 2.178,386 4.185,387 1.69,388 2.742,389 1.38,390 4.133,391 2.319,392 1.334,393 1.847,395 3.482,396 1.314,397 2.5,398 1.3,399 3.517,400 2.159,401 1.187,402 1.5,404 2.711,405 1.151,406 2.477,407 1.15,408 3.457,409 2.075,410 1.107,411 1.472,413 2.514,414 1.069,415 2.422,416 1.077,417 3.414,418 2,419 1,420 1.394,422 2.275,423 1,424 2.255,425 1,426 3.317,427 1.984,428 1,429 1.197,431 2.136,432 0.983,433 2.118,434 0.934,435 3.247,436 1.862,437 0.896,438 1,440 2.099,441 0.863,442 2,443 0.709,444 3.18,445 1.582,446 0.622,447 0.927,449 1.497,450 0.596,451 15.9,452 0.482,453 0.585,454 0.018,455 39.5,456 1.197,457 18,458 0.545,459 21.5,460 0.652,461 31.779,462 0.963,463 35.7,464 0.533,465 26.304,466 0.797,467 7.405,468 0.224,469 8.854,470 0.268,471 0.031,473 0.27,479 0.937,480 1.371,481 0.907,482 1.133,483 0.767,484 1.036,485 1.2,486 1.1,487 1.043,488 1.026,489 0.831,490 1.021,491 0.976,492 1.069,493 1.054,494 1.084,495 0.755,496 1.078,497 0.886,498 1.086,499 1.05,500 1.116,501 0.833,502 1.101,503 0.775,504 0.866,505 0.891,506 0.912,507 0.795,508 0.913,509 0.786,510 0.955,511 0.923,512 0.979,513 0.727,514 0.966,515 0.763,516 1.031,517 0.952,518 1.048,519 0.8,520 1.023,521 1.09,522 0.897,523 1.045,524 0.957,525 1.132,526 0.99,527 5,528 0.099,529 3.556,530 1.194,531 1.037,532 0.937,533 0.505,534 0.221,535 0.208,536 0.201,537 20117,538 41511,539 2.187,540 50.7,541 2,542 17,543 1,544 2,545 2,547 10,550 1.744,551 2.129,552 3.906,553 0.132,559 89.563,560 1.337,561 3.453,562 4.726,563 5.245,564 5.368,565 5.368,566 3.377,567 4.56,568 5.017,569 4.124,570 2177.54,571 8.736,572 35808.5,577 406.428,578 1.027,579 5.01,580 0.135,581 0.004,582 0.071,583 0.025,584 0.025,585 0.025,586 0.013,587 0.006,588 0.007,589 0.007,590 0.319,591 0.17,592 0.75,593 0.306,594 181.372,595 0.12,596 -0.125,597 0.08,598 -0.035,599 0.194,600 0.009,601 -0.032,602 0.055,603 -0.045,604 0.002,605 0.07,606 -0.018,607 -0.09,608 -0.05,609 -0.081,610 -0.062,611 0.033,612 -0.069,613 -0.043,614 -0.127,615 -0.079,616 -0.114,617 0.001,618 -0.102,619 0.09,620 0.04,621 0.085,622 0.061,623 0.075,624 0.071,625 0.052,626 -0.017,627 0.05,628 0.015,629 0.072,630 0.029,631 0.11,632 -0.081,633 0.022,634 -0.055,635 0.058,636 -0.03,637 -0.077,638 0.049,639 -0.057,640 0.003,641 -0.166,642 -0.02,643 0.911,644 1.245,645 0.788,646 42.489,647 0.985,648 1.131,649 4.317,650 18.633,651 0.652,652 3.638,653 3.932,654 4.205,655 4.431,656 4.595,657 4.654,658 4.779,659 4.89,660 4.956,661 5.011,662 9.228,663 0.605,664 442.67,665 3.638,666 5.165,667 6.009,668 6.866,669 7.723,670 8.585,671 9.447,672 10.313,673 11.179,674 12.048,675 9,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 67,716 21,717 2,718 37,720 71,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 2,741 1,743 5,745 16,746 11,747 1,764 34,765 4,766 2,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,823 1,827 33,833 8,834 1,837 2,838 1,844 1,854 15.5,855 11.883,856 7.278,857 4.316,858 3.505,859 1.427,860 1.003,861 7.084,862 11.718,863 3.882,864 4.443,865 5.029,866 5.598,867 6.025,868 6.345,869 6.787,870 7.19,871 7.384,872 7.608,873 1,874 47,875 12.207,877 5.111,878 7.379,879 24.456,881 20.669,883 1.879,884 62,888 376.675,889 143.326,890 73.146,895 143.326,896 376.675,897 73.146,898 8.825,899 18.561,900 102.868,901 74.105,902 33.51,903 13.915,904 341.362,906 376.675,907 216.471,911 258.964,912 117.711,915 84.443,916 98.702,917 33.326,919 376.675,920 73.146,921 143.326,924 376.675,925 32.406,926 115.943,927 34.796,928 33.326,929 376.675,930 73.146,931 143.326,933 0.573,934 0.336,935 0.178,936 0.09,937 24,938 9,939 0.127,940 9,941 1,942 1.077,943 4.754,944 291.386,945 0.077,946 26,947 154.465,951 22.183,952 10.539,953 5.482,954 2.499,955 54.461,956 22.901,957 7.85,958 3.429,961 3.876,962 1.954,963 34.796,964 593.147,965 47.5,975 65.981,976 75.803,977 0.22,978 0.569,979 0.779,980 0.865,981 0.885,982 0.885,983 5.101,984 1.775,985 5.958,986 4.655,987 4.615,988 5.13,989 1.038,990 6.72,991 4.55,992 6.265,993 1.334,994 7.482,995 4.185,996 4.007,997 4.732,998 0.325,999 7.516,1000 3.911,1001 7.541,1002 1.187,1003 9.105,1004 3.482,1005 6.159,1006 7.282,1007 0.607,1008 10.6,1009 6.033,1010 8.856,1011 1.107,1012 10.792,1013 2.711,1014 6.447,1015 7.858,1016 0.268,1017 12.277,1018 6.291,1019 10.209,1020 1,1021 12.519,1022 2.514,1023 7.982,1024 9.787,1025 0.359,1026 14.838,1027 7.803,1028 11.59,1029 1,1030 14.275,1031 2.275,1032 8.684,1033 10.833,1034 0.188,1035 16.872,1036 8.48,1037 12.993,1038 0.896,1039 16.052,1040 2.136,1041 9.963,1042 12.506,1043 0.214,1044 19.264,1045 9.739,1046 3.118,1047 0.622,1048 17.843,1049 2.099,1050 10.868,1051 13.785,1052 0.125,1053 21.454,1054 10.623,1055 2.797,1056 10.431,1057 19.646,1058 1.497,1059 12.039,1060 15.35,1061 0.129,1062 23.79,1063 11.776,1064 2.753,1065 8.884,1066 21.459,1067 4.518,1068 13.044,1069 16.743,1070 0.082,1071 26.052,1072 12.763,1073 2.641,1074 8.548,1075 23.279,1076 3.731,1077 14.17,1078 18.265,1079 0.079,1080 28.375,1081 13.873,1082 2.223,1083 7.384,1084 25.105,1085 3.538,1086 15.225,1087 19.713,1088 0.054,1089 30.671,1090 14.913,1091 2.024,1092 6.388,1093 26.936,1094 2.813,1095 16.336,1096 21.22,1097 0.048,1098 32.993,1099 16.009,1100 1.797,1101 5.994,1102 28.773,1103 2.66,1104 17.418,1105 22.696,1106 0.035,1107 35.307,1108 17.076,1109 18375,1110 26644,1111 25.83,1112 43.694,1113 55.319,1114 54.682,1115 55.055,1116 54.705,1117 54.744,1118 70.125,1119 2.915,1120 151.327,1121 52.938,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 7.921,1132 1.495,1133 1.478,1134 1.488,1135 1.479,1136 1.48,1137 1.895,1138 0.079,1139 4.09,1140 1.431,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 5.135,1146 4.07,1147 3.953,1148 4.001,1149 3.867,1150 3.873,1151 4.927,1152 3.867,1153 3.865,1154 3.922,1155 3.79,1156 3.736,1157 4.763,1158 3.73,1159 3.824,1160 3.896,1161 3.745,1162 3.588,1163 4.383,1164 3.625,1165 3.573,1166 3.646,1167 3.429,1168 3.41,1169 4.261,1170 3.409,1171 3.453,1172 3.528,1173 3.305,1174 3.292,1175 4.198,1176 3.285,1177 3.29,1178 3.358,1179 3.171,1180 3.132,1181 3.941,1182 3.134,1183 3.14,1184 3.235,1185 2.961,1186 2.941,1187 3.76,1188 2.925,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.196,1197 0.022,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.095,1210 2.069,1211 1.468,1212 2.081,1213 1.931,1214 1.897,1215 2.049,1216 2.047,1217 1.287,1218 2.047,1219 1.859,1220 1.802,1221 2.028,1222 1.997,1223 1.196,1224 2.012,1225 1.673,1226 1.618,1227 1.884,1228 1.839,1229 1.122,1230 1.858,1231 1.48,1232 1.406,1233 1.739,1234 1.705,1235 0.881,1236 1.715,1237 1.405,1238 1.334,1239 1.602,1240 1.653,1241 0.825,1242 1.641,1243 1.331,1244 1.266,1245 1.513,1246 1.53,1247 0.789,1248 1.542,1249 1.153,1250 1.064,1251 1.509,1252 1.442,1253 0.652,1254 1.429,1255 4.317,1257 5.617,1258 3.045,1259 7.102,1260 5.283,1261 8.67,1262 7.286,1263 10.282,1265 2.268,1271 9.62,1272 3.745,1275 1.211,1276 2.647,1280 40.504,1281 89.563,1282 231.381,1283 316.654,1284 351.408,1285 359.673,1286 359.673,1287 42.417,1288 8.213,1289 61.77,1290 61.77,1291 28,1292 12.593,1293 4.459,1294 3.524,1295 48.359,1296 187,1297 169,1298 0.123,1299 247.216,1300 412.5,1301 594.967,1302 53892,1304 22.46,1305 0.681,1306 0.589,1307 22.46,1308 19.451,1309 16.259,1310 0.439,1311 0.33,1312 12.091,1313 15.775,1314 11.813,1315 9.804,1316 16.259,1317 12.218,1318 14.149,1319 0.283,1320 0.187,1321 14.149,1322 9.342,1323 12.307,1324 0.186,1325 0.108,1326 12.307,1327 7.108,1328 10.011,1329 0.121,1330 0.06,1331 10.011,1332 4.978,1333 7.676,1334 0.078,1335 0.036,1336 7.676,1337 3.55,1338 0.204,1339 100.65,1340 0.197,1341 31.828,1342 0.309,1343 174,1344 381.246,1345 184.824,1346 381.7,1347 541.59,1348 362,1349 203,1350 415.772,1351 215.295,1352 425.043,1353 615.02,1354 401,1355 8.357} {0 CHEMBL146396,1 1.361,2 14,3 3.373,4 11.38,5 121.42,6 6.62,7 0.469,8 4.156,9 4.304,10 3.639,11 3.658,12 5.134,13 3.618,14 4.732,15 4.955,16 3.948,17 4.068,18 5.577,19 3.996,20 4.956,21 5.197,22 3.935,23 4.24,24 5.711,25 4.111,26 5.111,27 5.383,28 3.879,29 4.297,30 5.821,31 4.126,32 5.145,33 5.455,34 3.779,35 4.217,36 5.799,37 4.024,38 4.97,39 5.272,40 3.723,41 4.071,42 5.669,43 3.911,44 4.831,45 5.101,46 3.679,47 4.003,48 5.581,49 3.85,50 4.871,51 5.174,52 3.495,53 3.947,54 5.543,55 3.761,56 0.088,57 0.921,58 13.96,59 5.077,60 12.753,61 7.667,62 0.278,63 1.47,64 25.893,65 8.256,66 21.02,67 12.94,68 0.233,69 1.713,70 32.102,71 11.559,72 23.046,73 17.563,74 0.281,75 1.858,76 37.743,77 13.933,78 29.101,79 21.03,80 0.305,81 1.79,82 39.584,83 14.015,84 32.628,85 21.541,86 0.313,87 1.558,88 33.426,89 10.94,90 29.087,91 17.199,92 0.247,93 1.425,94 28.642,95 10.019,96 24.541,97 15.37,98 0.294,99 1.384,100 30.259,101 9.966,102 25.775,103 15.608,104 9,105 43,106 0.221,107 0.565,108 0.784,109 0.82,110 0.835,111 0.835,112 3.407,113 0.986,114 -4.88,115 -4.78,116 -4.49,119 39,120 1,121 4,124 1,125 4,127 1,139 2,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 7,171 2,172 8,176 3,178 7,182 4,186 3,189 5,192 1,193 7,197 1,199 7,203 6,206 1,211 6,215 6,218 1,222 5,226 5,229 2,233 2,236 1,237 5,242 2,244 3,249 1,256 4,259 1413,260 20.146,261 20.146,262 20.146,263 20.146,264 20.146,265 17.828,266 26.283,267 12.208,268 20.596,269 15.779,270 15.779,271 15.779,272 15.779,273 15.779,274 12.675,275 33.174,276 5.752,277 16.504,278 4.521,279 2.404,280 1.052,281 0.831,282 0.737,283 0.737,284 4.107,288 1,289 1,290 886,291 3.536,294 153.347,295 185.933,298 130.146,302 2.138,303 11.552,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61,315 406,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 1.053,323 10.431,324 3.062,325 4.129,326 3.143,327 6.095,328 3.766,329 2.822,330 3.731,331 0.8,332 8.884,333 2.665,334 3.896,335 2.886,336 6.029,337 3.689,338 2.752,339 2.876,340 0.249,341 8.588,342 2.577,343 3.699,344 2.793,345 5.316,346 3.324,347 2.405,348 2.812,350 6.863,351 2.211,352 3.445,353 2.374,354 5.127,355 3.013,356 2.034,357 2.595,359 6.001,360 1.986,361 3.355,362 2.183,363 4.514,364 2.732,365 1.777,366 2.545,368 4.655,369 1.692,370 3.246,371 1.796,372 4.222,373 2.645,374 1.665,375 2.305,377 3.976,378 1.629,379 2.745,380 1.768,381 4.131,382 2.325,383 1.339,384 1.849,386 3.474,387 1.319,388 2.476,389 1.381,390 3.472,391 2.174,392 1.205,393 1.445,395 2.545,396 1.165,397 2.391,398 1.24,399 3.414,400 2.023,401 1.061,402 1.336,404 2.275,405 1.018,406 2.215,407 1.092,408 3.324,409 1.984,410 1,411 1.142,413 2.198,414 0.983,415 2.118,416 1.077,417 3.251,418 1.851,419 0.886,420 1,422 2.058,423 0.853,424 2,425 0.915,426 3.158,427 1.551,428 0.618,429 0.927,431 1.436,432 0.567,433 1.96,434 0.651,435 3,436 1.518,437 0.592,438 0.802,440 1.372,441 0.556,442 1.213,443 0.618,444 2.672,445 1.143,446 0.165,447 0.168,449 0.272,450 0.161,451 13.9,452 0.479,453 0.516,454 0.018,455 33.25,456 1.147,457 14,458 0.483,459 19.25,460 0.664,461 27.654,462 0.954,463 31.7,464 0.537,465 21.933,466 0.756,467 6.458,468 0.223,469 7.784,470 0.268,471 0.072,473 0.266,479 0.915,480 1.524,481 0.899,482 1.218,483 0.653,484 1.083,485 1.345,486 1.022,487 1.004,488 0.903,489 0.839,490 0.915,491 1.024,492 1.104,493 1.097,494 1.124,495 0.769,496 1.119,497 0.766,498 1.047,499 1.048,500 1.14,501 0.746,502 1.126,503 0.648,504 0.937,505 0.859,506 0.968,507 0.775,508 0.941,509 0.974,510 0.878,511 0.901,512 0.865,513 0.859,514 0.874,515 0.801,516 1.119,517 1.011,518 1.135,519 0.853,520 1.102,521 1.033,522 0.896,523 1.039,524 0.967,525 1.111,526 0.998,527 4.5,528 0.12,529 3.333,530 1.257,531 0.966,532 0.792,533 0.465,534 0.237,535 0.147,536 0.158,537 12686,538 27441,539 2.132,540 50.8,541 5,542 15,543 1,544 2,545 1,547 2,548 4,550 1.713,551 2.047,552 3.744,553 -0.371,555 1,559 80.318,560 1.361,561 3.479,562 4.831,563 5.052,564 5.145,565 5.145,566 3.254,567 4.418,568 4.827,569 3.926,570 1593.86,571 8.371,572 23027.7,574 1,577 347.076,578 1.178,579 4.812,580 0.141,581 0.005,582 0.078,583 0.031,584 0.026,585 0.024,586 0.015,587 0.008,588 0.006,589 0.007,590 0.34,591 0.33,592 1,593 1.104,594 151.515,595 0.148,596 -0.254,597 0.087,598 -0.11,599 0.268,600 -0.033,601 -0.068,602 0.131,603 0.007,604 0.096,605 0.048,606 0.066,607 -0.132,608 -0.048,609 -0.128,610 -0.085,611 -0.019,612 -0.102,613 -0.006,614 -0.081,615 -0.091,616 -0.113,617 0.017,618 -0.111,619 0.107,620 -0.057,621 0.103,622 0.019,623 0.08,624 0.054,625 0.004,626 0.053,627 0.084,628 0.094,629 0.035,630 0.097,631 0.096,632 -0.135,633 -0.038,634 -0.132,635 0.029,636 -0.105,637 -0.062,638 0.032,639 -0.057,640 -0.009,641 -0.158,642 -0.029,643 0.656,644 0.913,645 0.69,646 33.332,647 0.987,648 1.135,649 3.645,650 13.289,651 0.647,652 3.497,653 3.784,654 4.06,655 4.29,656 4.443,657 4.554,658 4.673,659 4.762,660 4.804,661 4.852,662 8.011,663 0.601,664 390.59,665 3.497,666 5.017,667 5.861,668 6.72,669 7.581,670 8.449,671 9.317,672 10.189,673 11.062,674 11.938,675 10.2,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 59,716 16,717 1,718 32,720 62,721 23,722 10,723 3,724 3,730 4,731 5,736 1,740 3,743 5,744 2,745 10,746 11,761 1,764 30,765 4,766 1,767 6,773 6,777 0.75,788 1,792 2,793 2,796 1,800 2,815 2,819 3,823 2,827 29,833 8,837 1,838 2,840 1,844 1,845 2,854 14.167,855 11.083,856 6.528,857 3.718,858 2.98,859 1.385,860 0.984,861 6.536,862 10.718,863 3.75,864 4.297,865 4.86,866 5.437,867 5.85,868 6.271,869 6.728,870 7.158,871 7.352,872 7.57,873 1,874 41,875 10.703,877 4.388,878 7.414,879 21.327,881 17.572,883 1.914,884 55.5,887 1,888 341.362,889 135.216,890 58.259,895 135.216,896 341.362,897 58.259,898 17.222,899 18.561,900 37.476,901 74.105,902 33.449,903 47.976,904 306.049,906 341.362,907 193.476,911 270.735,912 70.627,915 69.557,916 56.532,917 67.387,919 341.362,920 58.259,921 135.216,924 341.362,925 29.22,926 80.083,927 50.847,928 33.326,929 341.362,930 58.259,931 135.216,933 0.567,934 0.333,935 0.177,936 0.09,937 20,938 8,939 0.113,940 7,941 1,942 1.1,943 4.286,944 242.845,945 0.1,946 20,947 132.881,951 20.006,952 9.475,953 4.831,954 2.49,955 39.575,956 12.103,957 7.822,958 3.413,961 2.491,962 1.948,963 16.786,964 534.838,965 41.5,975 58.214,976 66.972,977 0.231,978 0.591,979 0.821,980 0.859,981 0.875,982 0.875,983 4.982,984 1.339,985 5.814,986 3.976,987 4.466,988 4.984,989 1.412,990 6.589,991 4.38,992 6.165,993 1.205,994 7.347,995 3.474,996 3.892,997 4.605,998 0.57,999 7.424,1000 3.745,1001 7.457,1002 1.061,1003 8.982,1004 2.545,1005 6.019,1006 7.14,1007 1.218,1008 10.512,1009 5.848,1010 8.785,1011 1,1012 10.681,1013 2.275,1014 6.347,1015 7.751,1016 0.69,1017 12.218,1018 6.123,1019 10.149,1020 0.886,1021 12.42,1022 2.198,1023 7.861,1024 9.658,1025 1.155,1026 14.787,1027 7.617,1028 11.536,1029 0.618,1030 14.188,1031 2.058,1032 8.6,1033 10.746,1034 0.766,1035 16.839,1036 8.317,1037 12.943,1038 0.592,1039 15.975,1040 1.436,1041 9.868,1042 12.403,1043 1.137,1044 19.237,1045 9.566,1046 3.118,1047 0.165,1048 17.776,1049 1.372,1050 10.8,1051 13.719,1052 0.844,1053 21.437,1054 10.472,1055 2.822,1056 10.431,1057 19.588,1058 0.272,1059 11.967,1060 15.277,1061 1.143,1062 23.778,1063 11.621,1064 2.752,1065 8.884,1066 21.408,1067 4.518,1068 12.99,1069 16.696,1070 0.925,1071 26.044,1072 12.626,1073 2.405,1074 8.588,1075 23.235,1076 3.731,1077 14.118,1078 18.216,1079 1.166,1080 28.369,1081 13.738,1082 2.034,1083 6.863,1084 25.068,1085 2.876,1086 15.185,1087 19.681,1088 1.009,1089 30.667,1090 14.791,1091 1.777,1092 6.001,1093 26.905,1094 2.812,1095 16.3,1096 21.189,1097 1.204,1098 32.991,1099 15.893,1100 1.665,1101 4.655,1102 28.746,1103 2.595,1104 17.39,1105 22.674,1106 1.093,1107 35.307,1108 16.971,1109 12014,1110 17875,1111 21.959,1112 38.171,1113 48.175,1114 48.191,1115 47.988,1116 46.893,1117 46.877,1118 60.103,1119 4.204,1120 130.056,1121 44.886,1122 5.568,1123 5.197,1124 6.429,1125 5.159,1126 5.118,1127 7.518,1128 1.955,1129 17.095,1130 5.062,1131 10.652,1132 1.505,1133 1.506,1134 1.5,1135 1.465,1136 1.465,1137 1.878,1138 0.131,1139 4.064,1140 1.403,1141 4.153,1142 4.191,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.901,1148 3.969,1149 3.793,1150 3.742,1151 4.927,1152 3.743,1153 3.827,1154 3.903,1155 3.78,1156 3.591,1157 4.763,1158 3.627,1159 3.634,1160 3.701,1161 3.523,1162 3.498,1163 4.366,1164 3.497,1165 3.506,1166 3.567,1167 3.367,1168 3.379,1169 4.256,1170 3.372,1171 3.321,1172 3.4,1173 3.201,1174 3.144,1175 4.081,1176 3.149,1177 3.236,1178 3.32,1179 3.062,1180 3.03,1181 3.881,1182 3.024,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.684,1188 2.91,1189 0.143,1190 0.1,1191 0.205,1192 0.128,1193 0.097,1194 4.568,1195 0.141,1196 3.197,1197 0.033,1198 6.566,1199 0.326,1200 4.099,1201 0.096,1202 3.118,1203 4.518,1204 1.053,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.073,1210 2.063,1211 1.437,1212 2.07,1213 1.861,1214 1.799,1215 2.031,1216 2.041,1217 1.279,1218 2.04,1219 1.681,1220 1.625,1221 1.888,1222 1.856,1223 1.121,1224 1.871,1225 1.585,1226 1.535,1227 1.795,1228 1.751,1229 0.903,1230 1.765,1231 1.41,1232 1.338,1233 1.639,1234 1.659,1235 0.825,1236 1.644,1237 1.348,1238 1.278,1239 1.571,1240 1.565,1241 0.738,1242 1.586,1243 1.24,1244 1.148,1245 1.513,1246 1.471,1247 0.649,1248 1.494,1249 1.153,1250 1.064,1251 1.48,1252 1.442,1253 0.58,1254 1.429,1255 4.174,1257 5.468,1258 3.045,1259 6.95,1260 5.283,1261 8.52,1262 7.286,1263 10.14,1265 4.121,1271 9.222,1275 0.678,1276 5.028,1279 6.184,1280 35.45,1281 80.318,1282 205.26,1283 285.037,1284 298.056,1285 303.566,1286 303.566,1287 36.7,1288 7.738,1289 52.98,1290 52.98,1291 22,1292 12.478,1293 4.087,1294 3.392,1295 45.124,1296 141,1297 155,1298 0.154,1299 219.167,1300 369.2,1301 526.528,1302 27390,1304 20.054,1305 0.692,1306 0.601,1307 20.054,1308 17.434,1309 14.242,1310 0.445,1311 0.329,1312 10.377,1313 13.719,1314 10.066,1315 8.385,1316 14.242,1317 10.516,1318 12.21,1319 0.284,1320 0.184,1321 12.21,1322 7.931,1323 10.565,1324 0.185,1325 0.107,1326 10.565,1327 6.074,1328 8.572,1329 0.119,1330 0.059,1331 8.572,1332 4.278,1333 6.409,1334 0.076,1335 0.035,1336 6.409,1337 2.914,1338 0.252,1339 88.75,1340 0.213,1341 28.319,1342 0.396,1343 150,1344 354.558,1345 161.185,1346 352.757,1347 494.52,1348 334,1349 175,1350 373.476,1351 187.961,1352 383.046,1353 550.92,1354 358,1355 8.009} {0 CHEMBL146483,1 1.435,2 17.919,3 3.355,4 11.258,5 149.975,6 6.753,7 0.512,8 4.385,9 4.529,10 3.875,11 3.897,12 5.385,13 3.86,14 4.953,15 5.157,16 4.211,17 4.32,18 5.874,19 4.249,20 5.238,21 5.481,22 4.194,23 4.486,24 6.062,25 4.362,26 5.342,27 5.613,28 4.134,29 4.514,30 6.106,31 4.353,32 5.355,33 5.652,34 4.054,35 4.452,36 6.085,37 4.277,38 5.238,39 5.523,40 4.016,41 4.377,42 5.956,43 4.214,44 5.2,45 5.481,46 4.003,47 4.341,48 5.924,49 4.184,50 5.194,51 5.482,52 3.907,53 4.293,54 5.952,55 4.126,56 0.097,57 1.148,58 17.178,59 6.502,60 13.662,61 9.559,62 0.322,63 1.843,64 31.629,65 11.021,66 30.506,67 16.614,68 0.375,69 2.214,70 42.915,71 15.006,72 43.21,73 22.582,74 0.335,75 2.333,76 47.815,77 17.215,78 44.565,79 26.092,80 0.443,81 2.24,82 49.324,83 17.322,84 53.273,85 26.27,86 0.381,87 2.054,88 43.527,89 15.465,90 39.817,91 23.396,92 0.359,93 2.018,94 41.802,95 14.431,96 36.008,97 22.179,98 0.458,99 1.946,100 42.057,101 13.837,102 47.183,103 21.439,104 12,105 56,106 0.221,107 0.565,108 0.77,109 0.833,110 0.85,111 0.85,112 3.641,113 0.976,114 -5.03,115 -4.93,116 -4.62,119 39.2,120 2,121 4,122 1,125 4,127 1,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 11,171 2,172 6,174 1,176 9,178 11,182 4,186 9,189 9,193 8,197 4,199 11,203 8,206 2,211 13,215 5,218 1,219 1,220 1,222 11,226 5,229 2,231 1,233 7,236 1,237 6,240 1,242 5,244 4,249 2,254 4,256 5,259 2889,260 25.308,261 25.308,262 25.308,263 25.308,264 25.308,265 22.714,266 33.993,267 15.075,268 25.733,269 20.263,270 20.263,271 20.263,272 20.263,273 20.263,274 16.365,275 40.496,276 7.193,277 20.946,278 4.774,279 2.546,280 1.219,281 0.808,282 0.696,283 0.696,284 4.349,289 1,290 1459,291 4.062,294 213.571,295 404.493,298 184.126,302 2.907,303 20.3,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 78.5,315 663,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.133,326 3.196,327 6.095,328 3.819,329 2.836,330 3.731,331 0.8,332 8.884,333 2.788,334 4.129,335 3.102,336 6.032,337 3.69,338 2.753,339 3.694,340 0.657,341 8.602,342 2.58,343 3.753,344 2.896,345 5.492,346 3.614,347 2.652,348 3,349 0.149,350 7.391,351 2.558,352 3.65,353 2.863,354 5.409,355 3.463,356 2.491,357 2.813,359 7.142,360 2.417,361 3.433,362 2.488,363 5.15,364 3.175,365 2.216,366 2.657,368 6.384,369 2.115,370 3.343,371 2.338,372 5.108,373 3.001,374 2.023,375 2.59,377 5.994,378 1.976,379 3.253,380 2.178,381 4.514,382 2.947,383 1.927,384 2.507,386 4.655,387 1.945,388 3.195,389 1.795,390 4.455,391 2.73,392 1.776,393 2.216,395 4.639,396 1.69,397 2.743,398 1.617,399 4.135,400 2.386,401 1.417,402 1.848,404 3.678,405 1.369,406 2.621,407 1.366,408 4.125,409 2.305,410 1.322,411 1.634,413 3.479,414 1.297,415 2.5,416 1.163,417 3.476,418 2.091,419 1.125,420 1.5,422 2.542,423 1.084,424 2.426,425 1.077,426 3.414,427 2,428 1,429 1.4,431 2.275,432 1,433 2.258,434 1,435 3.414,436 1.984,437 1,438 1.2,440 2.275,441 0.983,442 2.118,443 0.942,444 3.319,445 1.863,446 0.898,447 1,449 2.102,450 0.865,451 17.633,452 0.477,453 0.797,454 0.022,455 44.25,456 1.196,457 20,458 0.541,459 24.25,460 0.655,461 36.92,462 0.998,463 40.567,464 0.548,465 31.924,466 0.863,467 8.372,468 0.226,469 9.675,470 0.261,471 0.076,473 0.301,479 0.836,480 1.413,481 0.887,482 1.154,483 0.597,484 1.042,485 0.902,486 1.135,487 0.971,488 1.034,489 0.538,490 1.007,491 1.097,492 1.056,493 1.098,494 1.061,495 0.978,496 1.078,497 0.711,498 1.083,499 1.013,500 1.126,501 0.503,502 1.104,503 0.722,504 0.902,505 0.903,506 0.965,507 0.725,508 0.958,509 0.7,510 0.959,511 0.916,512 0.999,513 0.653,514 0.987,515 0.678,516 1.032,517 0.951,518 1.044,519 0.472,520 1.027,521 0.9,522 0.935,523 1.038,524 0.993,525 0.757,526 1.021,527 7,528 0.14,529 4,530 1.507,531 1.428,532 1.167,533 0.667,534 0.339,535 0.282,536 0.241,537 27677,538 64352,539 2.133,540 50,541 2,542 16,543 1,544 2,545 3,546 3,547 10,550 1.772,551 2.037,552 4.082,553 0.755,559 106.217,560 1.435,561 3.663,562 4.991,563 5.402,564 5.513,565 5.513,566 3.517,567 4.703,568 5.181,569 4.321,570 2877.58,571 9.061,572 52815.6,577 459.5,578 1.241,579 5.159,580 0.171,581 0.005,582 0.071,583 0.028,584 0.03,585 0.027,586 0.016,587 0.008,588 0.008,589 0.008,590 0.37,591 0.17,592 0.75,593 0.716,594 212.126,595 0.038,596 -0.138,597 0.067,598 -0.038,599 0.037,600 0.007,601 0.05,602 0.028,603 0.003,604 0.008,605 0.123,606 0.002,607 -0.155,608 -0.014,609 -0.125,610 -0.037,611 -0.071,612 -0.072,613 -0.018,614 -0.11,615 -0.058,616 -0.105,617 0.052,618 -0.088,619 0.055,620 0.009,621 0.066,622 0.028,623 0.04,624 0.044,625 0.056,626 -0.02,627 0.049,628 0.006,629 0.027,630 0.021,631 0.053,632 -0.065,633 0.015,634 -0.05,635 0.017,636 -0.027,637 -0.006,638 0.021,639 -0.056,640 -0.024,641 -0.002,642 -0.04,643 1.707,644 4.208,645 0.703,646 52.304,647 0.99,648 1.134,649 3.803,650 14.462,651 0.648,652 3.738,653 4.043,654 4.29,655 4.522,656 4.691,657 4.779,658 4.905,659 5.004,660 5.024,661 5.088,662 10.453,663 0.605,664 499.73,665 3.738,666 5.273,667 6.111,668 6.973,669 7.825,670 8.69,671 9.549,672 10.417,673 11.281,674 12.151,675 9.5,677 1,678 1,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 74,716 22,717 2,718 41,720 78,721 29,722 16,723 5,724 7,730 5,731 6,736 2,740 2,741 1,743 5,745 17,746 12,747 1,750 1,755 1,759 1,764 37,765 6,766 3,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,814 1,815 1,819 4,823 2,827 37,833 8,834 2,837 2,838 1,844 1,847 1.4,850 1,854 18.167,855 13.467,856 8.111,857 4.677,858 3.692,859 1.434,860 0.991,861 8.347,862 12.199,863 3.98,864 4.543,865 5.095,866 5.67,867 6.111,868 6.455,869 6.879,870 7.263,871 7.409,872 7.631,873 0.917,874 53,875 13.676,877 5.721,878 7.523,879 27.016,881 22.584,883 2.023,884 74.833,888 400.217,889 150.136,890 91.156,892 25.145,895 150.136,896 425.362,897 91.156,898 17.65,899 36.572,900 93.392,901 103.955,902 36.267,903 13.915,904 364.904,906 400.217,907 241.293,908 25.145,911 282.506,912 142.856,915 111.279,916 96.688,917 33.326,919 400.217,920 116.301,921 150.136,924 400.217,925 39.867,926 115.292,927 52.807,928 58.471,929 400.217,930 116.301,931 150.136,933 0.577,934 0.327,935 0.173,936 0.089,937 26,938 11,939 0.128,940 10,941 1,942 1.077,943 5.064,944 335.634,945 0.077,946 26,947 180.75,951 25.654,952 12.039,953 6.667,954 2.466,955 97.617,956 20.21,957 7.848,958 3.422,961 4.559,962 1.944,963 52.807,964 666.655,965 52.5,970 11.208,974 -0.04,975 73.294,976 83.926,977 0.231,978 0.59,979 0.804,980 0.87,981 0.888,982 0.888,983 5.211,984 1.927,985 6.075,986 5.994,987 4.727,988 5.231,989 2.183,990 6.838,991 4.665,992 6.387,993 1.776,994 7.602,995 4.655,996 4.205,997 4.934,998 1.668,999 7.636,1000 4.124,1001 7.671,1002 1.417,1003 9.226,1004 4.639,1005 6.279,1006 7.379,1007 2.949,1008 10.697,1009 6.156,1010 8.989,1011 1.322,1012 10.907,1013 3.678,1014 6.594,1015 7.989,1016 3.047,1017 12.348,1018 6.451,1019 10.343,1020 1.125,1021 12.627,1022 3.479,1023 8.094,1024 9.869,1025 4.045,1026 14.903,1027 7.919,1028 11.721,1029 1,1030 14.374,1031 2.542,1032 8.8,1033 10.921,1034 4.412,1035 16.917,1036 8.604,1037 13.119,1038 1,1039 16.141,1040 2.275,1041 10.062,1042 12.57,1043 5.252,1044 19.303,1045 9.841,1046 3.118,1047 0.898,1048 17.923,1049 2.275,1050 10.963,1051 13.847,1052 5.75,1053 21.482,1054 10.723,1055 2.836,1056 10.431,1057 19.717,1058 2.102,1059 12.124,1060 15.399,1061 6.501,1062 23.814,1063 11.862,1064 2.753,1065 8.884,1066 21.521,1067 4.518,1068 13.123,1069 16.787,1070 7.068,1071 26.07,1072 12.844,1073 2.652,1074 8.602,1075 23.334,1076 3.731,1077 14.242,1078 18.301,1079 7.771,1080 28.389,1081 13.946,1082 2.491,1083 7.391,1084 25.153,1085 3.694,1086 15.292,1087 19.746,1088 8.374,1089 30.682,1090 14.981,1091 2.216,1092 7.142,1093 26.979,1094 3,1095 16.398,1096 21.247,1097 9.051,1098 33.002,1099 16.071,1100 2.023,1101 6.384,1102 28.81,1103 2.813,1104 17.476,1105 22.719,1106 9.674,1107 35.315,1108 17.134,1109 25655,1110 39323,1111 28.027,1112 47.915,1113 61.342,1114 61.338,1115 61.537,1116 60.579,1117 60.661,1118 77.276,1119 7.027,1120 169.171,1121 58.789,1122 5.568,1123 5.533,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 15.403,1132 1.496,1133 1.496,1134 1.501,1135 1.478,1136 1.48,1137 1.885,1138 0.171,1139 4.126,1140 1.434,1141 4.155,1142 4.194,1143 4.114,1144 4.063,1145 7.43,1146 4.071,1147 3.97,1148 4.014,1149 3.898,1150 3.885,1151 5.135,1152 3.883,1153 3.873,1154 3.931,1155 3.79,1156 3.737,1157 4.927,1158 3.732,1159 3.825,1160 3.899,1161 3.751,1162 3.588,1163 4.758,1164 3.625,1165 3.604,1166 3.673,1167 3.493,1168 3.417,1169 4.385,1170 3.421,1171 3.532,1172 3.591,1173 3.4,1174 3.352,1175 4.262,1176 3.36,1177 3.413,1178 3.48,1179 3.277,1180 3.222,1181 4.212,1182 3.226,1183 3.288,1184 3.356,1185 3.166,1186 3.129,1187 3.965,1188 3.129,1189 0.111,1190 0.086,1191 0.16,1192 0.1,1193 0.076,1194 4.568,1195 0.11,1196 3.533,1197 0.047,1198 6.566,1199 0.254,1200 4.099,1201 0.075,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.937,1209 2.093,1210 2.071,1211 1.468,1212 2.082,1213 1.937,1214 1.905,1215 2.045,1216 2.049,1217 1.287,1218 2.048,1219 1.86,1220 1.803,1221 2.025,1222 2.012,1223 1.204,1224 2.02,1225 1.674,1226 1.618,1227 1.884,1228 1.844,1229 1.122,1230 1.86,1231 1.524,1232 1.461,1233 1.762,1234 1.763,1235 0.896,1236 1.763,1237 1.42,1238 1.351,1239 1.675,1240 1.672,1241 0.825,1242 1.661,1243 1.389,1244 1.322,1245 1.6,1246 1.624,1247 0.8,1248 1.628,1249 1.325,1250 1.259,1251 1.513,1252 1.525,1253 0.704,1254 1.539,1255 4.419,1257 5.727,1258 3.045,1259 7.212,1260 5.283,1261 8.777,1262 7.286,1263 10.387,1265 3.743,1271 9.286,1272 6.544,1275 1.021,1276 2.623,1280 44.767,1281 106.217,1282 271.08,1283 369.319,1284 399.725,1285 407.99,1286 407.99,1287 56.288,1288 8.507,1289 90.87,1290 90.87,1291 28,1292 12.695,1293 4.524,1294 3.644,1295 57.436,1296 237,1297 223,1298 0.114,1299 274.264,1300 464.25,1301 660.963,1302 79790,1304 25.614,1305 0.692,1306 0.589,1307 25.614,1308 21.782,1309 18.047,1310 0.44,1311 0.325,1312 13.175,1313 17.415,1314 12.834,1315 10.662,1316 18.047,1317 13.333,1318 16.162,1319 0.289,1320 0.183,1321 16.162,1322 10.235,1323 13.354,1324 0.185,1325 0.105,1326 13.354,1327 7.539,1328 10.967,1329 0.121,1330 0.058,1331 10.967,1332 5.295,1333 8.369,1334 0.077,1335 0.035,1336 8.369,1337 3.749,1338 0.191,1339 112.362,1340 0.189,1341 35.117,1342 0.284,1343 194,1344 471.315,1345 209.092,1346 465.232,1347 647.06,1348 438,1349 225,1350 487.662,1351 240.289,1352 496.235,1353 715.1,1354 467,1355 8.523} {0 CHEMBL146502,1 1.337,2 15.667,3 3.978,4 15.824,5 136.83,6 6.607,7 0.568,8 4.285,9 4.43,10 3.767,11 3.819,12 5.244,13 3.773,14 4.858,15 5.062,16 4.093,17 4.245,18 5.71,19 4.164,20 5.151,21 5.406,22 4.055,23 4.399,24 5.886,25 4.258,26 5.242,27 5.523,28 3.993,29 4.415,30 5.925,31 4.24,32 5.238,33 5.53,34 3.936,35 4.368,36 5.899,37 4.183,38 5.205,39 5.509,40 3.9,41 4.3,42 5.859,43 4.122,44 5.095,45 5.386,46 3.868,47 4.227,48 5.791,49 4.064,50 5.017,51 5.297,52 3.728,53 4.169,54 5.715,55 3.993,56 0.104,57 1.036,58 15.848,59 6.054,60 13.875,61 8.927,62 0.26,63 1.693,64 28.968,65 10.253,66 21.943,67 15.46,68 0.302,69 2.044,70 39.264,71 14.077,72 29.413,73 21.321,74 0.313,75 2.118,76 43.118,77 16.132,78 33.683,79 24.186,80 0.307,81 2.068,82 43.11,83 15.945,84 33.069,85 24.048,86 0.344,87 1.98,88 42.075,89 14.719,90 32.467,91 22.576,92 0.339,93 1.822,94 37.602,95 13.102,96 31.165,97 20.04,98 0.298,99 1.699,100 34.638,101 12.22,102 28.131,103 18.608,104 2,105 50,106 0.211,107 0.542,108 0.746,109 0.826,110 0.846,111 0.846,112 3.531,113 0.991,114 -5.55,115 -5.42,116 -5.06,119 40.3,120 1,121 5,125 3,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 7,178 15,182 3,186 4,189 11,193 6,195 1,197 3,199 12,203 6,206 1,208 2,211 8,215 6,218 1,220 2,222 8,226 4,229 2,231 1,233 6,236 1,237 5,242 3,244 6,249 2,254 1,256 5,259 2024,260 22.947,261 22.947,262 22.947,263 22.947,264 22.947,265 20.508,266 29.353,267 13.868,268 23.355,269 18.335,270 18.335,271 18.335,272 18.335,273 18.335,274 14.763,275 39.455,276 6.661,277 19,278 4.729,279 2.624,280 1.333,281 0.821,282 0.698,283 0.698,284 4.243,289 1,290 1153,291 3.464,294 180.837,295 347.634,298 154.64,302 2.505,303 13.096,306 0.75,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.84,314 69,315 517,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.955,327 6.095,328 3.697,329 2.754,330 3.731,331 0.4,332 8.884,333 2.644,334 3.933,335 2.884,336 5.603,337 3.686,338 2.729,339 3.455,341 7.735,342 2.578,343 3.68,344 2.812,345 5.424,346 3.541,347 2.568,348 2.813,350 7.214,351 2.494,352 3.438,353 2.513,354 5.187,355 3.232,356 2.285,357 2.692,359 6.535,360 2.157,361 3.341,362 2.185,363 5.122,364 3.016,365 2.036,366 2.591,368 5.999,369 1.992,370 3.247,371 1.968,372 4.618,373 2.856,374 1.88,375 2.381,377 4.96,378 1.831,379 3.008,380 1.794,381 4.514,382 2.729,383 1.775,384 2.108,386 4.655,387 1.689,388 2.755,389 1.483,390 4.133,391 2.389,392 1.394,393 1.852,395 3.481,396 1.386,397 2.729,398 1.364,399 3.573,400 2.307,401 1.322,402 1.782,404 2.995,405 1.301,406 2.5,407 1.158,408 3.467,409 2.085,410 1.121,411 1.5,413 2.527,414 1.078,415 2.425,416 1.077,417 3.414,418 2,419 1,420 1.399,422 2.275,423 1,424 2.253,425 1,426 3.316,427 1.984,428 1,429 1.194,431 2.136,432 0.983,433 2.118,434 0.933,435 3.247,436 1.86,437 0.895,438 1,440 2.097,441 0.862,442 2,443 0.673,444 3.177,445 1.562,446 0.618,447 0.927,449 1.468,450 0.577,451 15.9,452 0.482,453 0.602,454 0.018,455 39.5,456 1.197,457 18,458 0.545,459 21.5,460 0.652,461 31.962,462 0.969,463 35.7,464 0.533,465 26.182,466 0.793,467 7.421,468 0.225,469 8.821,470 0.267,471 0.031,473 0.27,479 0.937,480 1.371,481 0.907,482 1.133,483 0.774,484 1.036,485 1.181,486 1.138,487 1.038,488 1.047,489 0.815,490 1.032,491 1.125,492 1.027,493 1.095,494 1.052,495 0.901,496 1.068,497 0.767,498 1.001,499 0.991,500 1.061,501 0.718,502 1.05,503 0.704,504 1.022,505 0.943,506 1.053,507 0.769,508 1.026,509 0.857,510 0.92,511 0.891,512 0.915,513 0.745,514 0.908,515 0.909,516 0.932,517 0.936,518 0.942,519 0.839,520 0.941,521 1.055,522 1.006,523 1.122,524 1.082,525 1.198,526 1.104,527 5.5,528 0.115,529 2.889,530 1.444,531 1.157,532 0.819,533 0.606,534 0.194,535 0.208,536 0.181,537 20033,538 41287,539 2.187,540 50.7,541 2,542 16,543 1,544 2,545 2,547 7,548 4,550 1.744,551 2.129,552 3.903,553 0.132,559 89.563,560 1.337,561 3.442,562 4.733,563 5.245,564 5.368,565 5.368,566 3.366,567 4.56,568 5.016,569 4.119,570 2175.09,571 8.738,572 35657.7,577 406.428,578 1.027,579 5.01,580 0.149,581 0.005,582 0.058,583 0.031,584 0.028,585 0.021,586 0.016,587 0.005,588 0.007,589 0.007,590 0.326,591 0.17,592 0.75,593 0.306,594 181.218,595 0.12,596 -0.125,597 0.08,598 -0.035,599 0.187,600 0.009,601 -0.013,602 0.016,603 -0.04,604 -0.019,605 0.086,606 -0.03,607 -0.151,609 -0.114,610 -0.046,611 -0.066,612 -0.071,613 0.022,614 -0.052,615 -0.025,616 -0.052,617 0.078,618 -0.045,619 0.077,620 -0.1,621 0.024,622 -0.054,623 0.067,624 -0.026,625 0.054,626 -0.003,627 0.09,628 0.054,629 0.094,630 0.072,631 0.066,632 0.02,633 0.05,634 0.03,635 0.047,636 0.037,637 -0.087,638 -0.031,639 -0.14,640 -0.1,641 -0.222,642 -0.121,643 0.811,644 1.362,645 0.788,646 42.384,647 0.985,648 1.131,649 4.317,650 18.633,651 0.652,652 3.638,653 3.932,654 4.19,655 4.443,656 4.595,657 4.654,658 4.796,659 4.905,660 4.942,661 5.011,662 9.181,663 0.605,664 442.67,665 3.638,666 5.165,667 6.004,668 6.864,669 7.716,670 8.581,671 9.439,672 10.307,673 11.171,674 12.042,675 9,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 67,716 21,717 2,718 37,720 71,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 7,745 16,746 11,764 34,765 4,766 2,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,823 1,827 33,833 8,834 1,837 2,838 1,844 1,854 15.5,855 11.883,856 7.25,857 4.316,858 3.505,859 1.427,860 1.002,861 7.084,862 11.718,863 3.882,864 4.443,865 5.016,866 5.596,867 6.02,868 6.339,869 6.783,870 7.202,871 7.383,872 7.608,873 1,874 46,875 12.209,877 5.113,878 7.379,879 24.456,881 20.661,883 1.879,884 62,888 376.675,889 143.755,890 73.146,895 143.755,896 376.675,897 73.146,898 8.825,899 18.99,900 102.868,901 74.105,902 33.51,903 13.915,904 341.362,906 376.675,907 216.9,911 247.193,912 129.482,915 84.872,916 98.702,917 33.326,919 376.675,920 73.146,921 143.755,924 376.675,925 32.835,926 115.943,927 34.796,928 33.326,929 376.675,930 73.146,931 143.755,933 0.572,934 0.329,935 0.181,936 0.091,937 24,938 9,939 0.127,940 9,941 1,942 1.077,943 4.754,944 291.559,945 0.077,946 26,947 154.465,951 22.183,952 10.539,953 5.659,954 2.495,955 54.461,956 22.947,957 7.85,958 3.428,961 3.914,962 1.953,963 34.796,964 593.576,965 47.5,975 65.981,976 75.803,977 0.22,978 0.567,979 0.78,980 0.865,981 0.885,982 0.885,983 5.101,984 1.775,985 5.953,986 4.96,987 4.615,988 5.13,989 0.824,990 6.708,991 4.548,992 6.265,993 1.394,994 7.468,995 4.655,996 4.007,997 4.732,998 0.325,999 7.466,1000 3.899,1001 7.539,1002 1.322,1003 9.08,1004 3.481,1005 6.151,1006 7.277,1007 0.413,1008 10.557,1009 6.017,1010 8.849,1011 1.121,1012 10.753,1013 2.995,1014 6.415,1015 7.842,1016 0.268,1017 12.199,1018 6.24,1019 10.198,1020 1,1021 12.467,1022 2.527,1023 7.955,1024 9.775,1025 0.246,1026 14.769,1027 7.762,1028 11.573,1029 1,1030 14.21,1031 2.275,1032 8.636,1033 10.815,1034 0.188,1035 16.79,1036 8.409,1037 12.971,1038 0.895,1039 15.975,1040 2.136,1041 9.919,1042 12.491,1043 0.157,1044 19.189,1045 9.676,1046 3.118,1047 0.618,1048 17.756,1049 2.097,1050 10.81,1051 13.769,1052 0.125,1053 21.38,1054 10.541,1055 2.754,1056 10.431,1057 19.55,1058 1.468,1059 11.983,1060 15.336,1061 0.102,1062 23.723,1063 11.699,1064 2.729,1065 8.884,1066 21.356,1067 4.518,1068 12.981,1069 16.73,1070 0.082,1071 25.99,1072 12.677,1073 2.568,1074 7.735,1075 23.171,1076 3.731,1077 14.109,1078 18.254,1079 0.067,1080 28.32,1081 13.79,1082 2.285,1083 7.214,1084 24.994,1085 3.455,1086 15.162,1087 19.704,1088 0.054,1089 30.622,1090 14.827,1091 2.036,1092 6.535,1093 26.824,1094 2.813,1095 16.275,1096 21.212,1097 0.043,1098 32.951,1099 15.926,1100 1.88,1101 5.999,1102 28.66,1103 2.692,1104 17.357,1105 22.689,1106 0.035,1107 35.271,1108 16.994,1109 18296,1110 26518,1111 25.83,1112 43.694,1113 55.135,1114 54.448,1115 54.83,1116 54.53,1117 54.57,1118 69.929,1119 2.4,1120 150.467,1121 52.738,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 7.829,1132 1.49,1133 1.472,1134 1.482,1135 1.474,1136 1.475,1137 1.89,1138 0.065,1139 4.067,1140 1.425,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.951,1148 4,1149 3.862,1150 3.873,1151 4.927,1152 3.865,1153 3.859,1154 3.918,1155 3.79,1156 3.715,1157 4.755,1158 3.714,1159 3.823,1160 3.895,1161 3.741,1162 3.587,1163 4.419,1164 3.624,1165 3.592,1166 3.666,1167 3.451,1168 3.427,1169 4.261,1170 3.425,1171 3.478,1172 3.548,1173 3.324,1174 3.344,1175 4.174,1176 3.331,1177 3.279,1178 3.347,1179 3.162,1180 3.118,1181 3.925,1182 3.121,1183 3.111,1184 3.206,1185 2.904,1186 2.941,1187 3.738,1188 2.91,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.196,1197 0.022,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.088,1210 2.068,1211 1.433,1212 2.078,1213 1.932,1214 1.899,1215 2.051,1216 2.047,1217 1.287,1218 2.047,1219 1.843,1220 1.783,1221 2.021,1222 1.992,1223 1.239,1224 2.008,1225 1.671,1226 1.614,1227 1.881,1228 1.841,1229 1.116,1230 1.858,1231 1.542,1232 1.474,1233 1.797,1234 1.736,1235 0.954,1236 1.757,1237 1.405,1238 1.334,1239 1.586,1240 1.657,1241 0.825,1242 1.64,1243 1.315,1244 1.25,1245 1.513,1246 1.513,1247 0.756,1248 1.522,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.582,1254 1.429,1255 4.317,1257 5.617,1258 3.045,1259 7.098,1260 5.283,1261 8.661,1262 7.286,1263 10.269,1265 2.315,1271 9.435,1272 3.862,1275 1.165,1276 2.636,1280 40.504,1281 89.563,1282 230.626,1283 317.144,1284 351.408,1285 359.673,1286 359.673,1287 42.472,1288 8.213,1289 61.77,1290 61.77,1291 28,1292 12.586,1293 4.459,1294 3.524,1295 48.341,1296 186,1297 171,1298 0.124,1299 247.216,1300 412.5,1301 594.967,1302 53755,1304 22.46,1305 0.681,1306 0.589,1307 22.46,1308 19.451,1309 16.242,1310 0.439,1311 0.33,1312 12.093,1313 15.759,1314 11.813,1315 9.804,1316 16.242,1317 12.218,1318 14.277,1319 0.286,1320 0.188,1321 14.277,1322 9.39,1323 12.019,1324 0.185,1325 0.106,1326 12.019,1327 6.881,1328 10.177,1329 0.121,1330 0.061,1331 10.177,1332 5.113,1333 7.682,1334 0.078,1335 0.036,1336 7.682,1337 3.52,1338 0.205,1339 100.504,1340 0.197,1341 31.809,1342 0.311,1343 174,1344 381.246,1345 185.157,1346 381.872,1347 541.49,1348 362,1349 202,1350 416.054,1351 214.295,1352 425.168,1353 613.94,1354 401,1355 8.214} {0 CHEMBL146628,1 1.428,2 15.088,3 2.831,4 8.015,5 138.485,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.302,13 3.787,14 4.874,15 5.07,16 4.119,17 4.253,18 5.763,19 4.179,20 5.172,21 5.424,22 4.113,23 4.411,24 5.934,25 4.282,26 5.259,27 5.527,28 4.086,29 4.444,30 6.016,31 4.289,32 5.295,33 5.578,34 4.065,35 4.434,36 6.012,37 4.269,38 5.274,39 5.553,40 4.055,41 4.397,42 6.039,43 4.241,44 5.242,45 5.525,46 3.967,47 4.318,48 6.028,49 4.155,50 5.139,51 5.442,52 3.727,53 4.167,54 5.861,55 3.984,56 0.103,57 1.046,58 15.933,59 6.109,60 13.64,61 8.832,62 0.275,63 1.705,64 29.163,65 10.296,66 23.459,67 15.298,68 0.322,69 2.063,70 40.139,71 14.246,72 33.59,73 21.467,74 0.408,75 2.171,76 44.136,77 15.867,78 41.971,79 23.857,80 0.347,81 2.166,82 45.95,83 16.753,84 41.216,85 25.088,86 0.393,87 2.11,88 45.319,89 15.868,90 42.441,91 23.789,92 0.441,93 2.007,94 44.259,95 15.041,96 49.414,97 22.601,98 0.513,99 1.771,100 40.432,101 12.833,102 46.734,103 19.865,104 4,105 51,106 0.224,107 0.565,108 0.755,109 0.835,110 0.855,111 0.855,112 3.56,113 0.978,114 -4.79,115 -4.7,116 -4.41,119 39.7,121 5,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 8,178 13,182 3,186 5,189 10,193 6,195 1,196 1,197 4,199 11,203 6,206 1,208 3,211 9,215 6,218 1,220 5,222 7,226 5,229 2,231 2,233 4,236 1,237 5,240 1,242 3,244 4,249 1,254 1,256 6,259 2110,260 23.869,261 23.869,262 23.869,263 23.869,264 23.869,265 21.455,266 29.813,267 14.524,268 24.304,269 18.789,270 18.789,271 18.789,272 18.789,273 18.789,274 15.237,275 41.775,276 6.855,277 19.505,278 4.66,279 2.489,280 1.28,281 0.769,282 0.647,283 0.647,284 4.272,289 1,290 1137,291 3.606,294 187.937,295 357.447,298 160.964,302 2.324,303 18.563,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 72,315 513,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.172,327 6.164,328 3.858,329 2.882,330 3.731,331 0.657,332 9.161,333 2.816,334 4.085,335 2.893,336 6.095,337 3.69,338 2.753,339 3.551,341 8.884,342 2.578,343 3.649,344 2.858,345 5.478,346 3.557,347 2.604,348 2.813,350 7.336,351 2.484,352 3.433,353 2.393,354 5.15,355 3.15,356 2.197,357 2.675,359 6.375,360 2.09,361 3.292,362 2.18,363 5.109,364 2.999,365 2.024,366 2.591,368 5.994,369 1.966,370 3.245,371 1.909,372 4.514,373 2.802,374 1.817,375 2.401,377 4.655,378 1.786,379 3.039,380 1.794,381 4.413,382 2.729,383 1.774,384 2.111,386 4.422,387 1.69,388 2.742,389 1.555,390 4.133,391 2.314,392 1.329,393 1.847,395 3.481,396 1.308,397 2.559,398 1.37,399 3.514,400 2.263,401 1.287,402 1.571,404 2.738,405 1.252,406 2.5,407 1.181,408 3.47,409 2.093,410 1.129,411 1.5,413 2.534,414 1.085,415 2.426,416 1.077,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.258,425 1.074,426 3.318,427 1.984,428 1,429 1.201,431 2.136,432 0.983,433 2.118,434 1,435 3.247,436 1.866,437 0.905,438 1,440 2.101,441 0.867,442 2.003,443 0.927,444 3.186,445 1.76,446 0.826,447 0.927,449 1.609,450 0.766,451 16.233,452 0.477,453 0.547,454 0.016,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 32.937,462 0.969,463 37.167,464 0.547,465 28.257,466 0.831,467 7.707,468 0.227,469 9.09,470 0.267,471 0.021,473 0.265,479 0.963,480 1.363,481 0.898,482 1.12,483 0.878,484 1.022,485 1.102,486 1.151,487 1.059,488 1.061,489 0.862,490 1.053,491 0.927,492 1.042,493 1.028,494 1.032,495 0.723,496 1.037,497 0.749,498 1.01,499 1.022,500 1.07,501 0.636,502 1.073,503 0.684,504 0.991,505 0.907,506 1.033,507 0.682,508 1.002,509 0.945,510 0.99,511 0.962,512 1.023,513 0.99,514 1.002,515 1.082,516 1.021,517 0.999,518 1.039,519 1.286,520 1.024,521 1.143,522 0.83,523 1.046,524 0.881,525 1.203,526 0.943,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.882,533 0.526,534 0.345,535 0.229,536 0.148,537 20762,538 46396,539 2.182,540 50,541 2,542 18,543 1,544 2,545 3,547 2,548 6,550 1.753,551 2.125,552 3.841,553 0.782,559 97.082,560 1.428,561 3.599,562 4.808,563 5.319,564 5.44,565 5.44,566 3.257,567 4.455,568 5.062,569 4.072,570 2284.44,571 8.836,572 37862,577 413.947,578 1.012,579 5.053,580 0.132,581 0.004,582 0.065,583 0.027,584 0.026,585 0.02,586 0.012,587 0.009,588 0.008,589 0.005,590 0.307,591 0.17,592 0.88,593 0.599,594 187.411,595 0.02,596 -0.108,597 0.064,598 -0.012,599 0.021,600 0.02,601 -0.079,602 0.015,603 -0.081,604 -0.023,605 -0.044,606 -0.05,607 -0.097,608 -0.017,609 -0.062,610 -0.017,611 -0.033,612 -0.032,613 0.026,614 -0.026,615 -0.059,616 -0.061,617 0.043,618 -0.068,619 0.058,620 -0.06,621 0.054,622 -0.025,623 0.068,624 0.008,625 0.002,626 -0.052,627 0.018,628 -0.03,629 0.022,630 -0.008,631 0.003,632 -0.099,633 -0.006,634 -0.063,635 -0.052,636 -0.043,637 -0.058,638 0.087,639 -0.044,640 0.056,641 -0.127,642 0.014,643 1.292,644 3.517,645 0.765,646 41.298,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.951,654 4.234,655 4.489,656 4.663,657 4.727,658 4.86,659 4.977,660 5.024,661 5.037,662 9.018,663 0.606,664 458.67,665 3.664,666 5.187,667 6.033,668 6.895,669 7.756,670 8.624,671 9.491,672 10.362,673 11.232,674 12.106,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 7,745 16,746 11,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 34,832 1,833 9,834 1,837 2,838 1,844 1,847 1.5,848 1,854 16,855 11.583,856 7.611,857 4.291,858 3.48,859 1.422,860 0.982,861 7.592,862 11.736,863 3.902,864 4.454,865 5.042,866 5.62,867 6.053,868 6.376,869 6.817,870 7.223,871 7.41,872 7.614,873 0.9,874 49,875 12.583,877 5.295,878 7.485,879 24.974,881 21.087,883 1.985,884 67.5,888 364.904,889 134.929,890 73.146,892 42.683,895 134.929,896 407.588,897 73.146,899 18.99,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 208.075,908 42.683,911 270.735,912 94.169,913 42.683,915 76.047,916 98.702,917 33.326,919 364.904,920 115.829,921 134.929,924 364.904,925 32.835,926 107.118,927 34.796,928 76.009,929 364.904,930 115.829,931 134.929,933 0.565,934 0.333,935 0.187,936 0.098,937 24,938 9,939 0.139,940 10,941 1,942 1.077,943 4.764,944 307.096,945 0.077,946 26,947 160.974,951 23.097,952 11.175,953 5.713,954 2.458,955 97.144,956 22.573,957 7.839,958 3.417,961 3.726,962 1.942,963 77.48,964 615.663,965 48.5,975 67.309,976 77.012,977 0.235,978 0.591,979 0.79,980 0.874,981 0.894,982 0.894,983 5.119,984 1.774,985 5.979,986 4.655,987 4.635,988 5.142,989 1.038,990 6.749,991 4.564,992 6.278,993 1.329,994 7.503,995 4.422,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.899,1001 7.553,1002 1.287,1003 9.129,1004 3.481,1005 6.18,1006 7.289,1007 0.607,1008 10.655,1009 6.045,1010 8.867,1011 1.129,1012 10.818,1013 2.738,1014 6.463,1015 7.862,1016 0.268,1017 12.343,1018 6.291,1019 10.221,1020 1,1021 12.55,1022 2.534,1023 8.009,1024 9.792,1025 0.359,1026 14.915,1027 7.817,1028 11.603,1029 1,1030 14.31,1031 2.275,1032 8.715,1033 10.837,1034 0.188,1035 16.957,1036 8.494,1037 13.007,1038 0.905,1039 16.091,1040 2.136,1041 10,1042 12.509,1043 0.214,1044 19.353,1045 9.761,1046 3.118,1047 0.826,1048 17.887,1049 2.101,1050 10.911,1051 13.788,1052 0.125,1053 21.546,1054 10.649,1055 2.882,1056 10.431,1057 19.695,1058 1.609,1059 12.085,1060 15.353,1061 0.129,1062 23.883,1063 11.806,1064 2.753,1065 9.161,1066 21.511,1067 4.518,1068 13.095,1069 16.746,1070 0.082,1071 26.144,1072 12.798,1073 2.604,1074 8.884,1075 23.334,1076 3.731,1077 14.225,1078 18.267,1079 0.079,1080 28.464,1081 13.911,1082 2.197,1083 7.336,1084 25.164,1085 3.551,1086 15.284,1087 19.715,1088 0.054,1089 30.756,1090 14.955,1091 2.024,1092 6.375,1093 26.998,1094 2.813,1095 16.397,1096 21.221,1097 0.048,1098 33.075,1099 16.053,1100 1.817,1101 5.994,1102 28.837,1103 2.675,1104 17.482,1105 22.697,1106 0.035,1107 35.384,1108 17.123,1109 19087,1110 28721,1111 26.523,1112 44.148,1113 56.491,1114 55.955,1115 56.512,1116 55.954,1117 55.957,1118 71.343,1119 2.915,1120 154.374,1121 53.942,1122 5.568,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 8.326,1132 1.487,1133 1.472,1134 1.487,1135 1.472,1136 1.473,1137 1.877,1138 0.077,1139 4.062,1140 1.42,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.456,1146 4.07,1147 3.964,1148 4.011,1149 3.881,1150 3.881,1151 5.135,1152 3.876,1153 3.847,1154 3.912,1155 3.79,1156 3.702,1157 4.927,1158 3.7,1159 3.819,1160 3.886,1161 3.724,1162 3.586,1163 4.758,1164 3.623,1165 3.579,1166 3.644,1167 3.439,1168 3.415,1169 4.39,1170 3.413,1171 3.502,1172 3.565,1173 3.347,1174 3.354,1175 4.258,1176 3.345,1177 3.29,1178 3.357,1179 3.179,1180 3.122,1181 4.104,1182 3.127,1183 3.135,1184 3.221,1185 2.978,1186 2.941,1187 3.893,1188 2.91,1189 0.12,1190 0.084,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.197,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.089,1210 2.073,1211 1.434,1212 2.082,1213 1.938,1214 1.905,1215 2.046,1216 2.049,1217 1.29,1218 2.047,1219 1.831,1220 1.772,1221 2.012,1222 1.983,1223 1.24,1224 1.998,1225 1.665,1226 1.609,1227 1.874,1228 1.831,1229 1.115,1230 1.849,1231 1.535,1232 1.476,1233 1.783,1234 1.74,1235 0.965,1236 1.755,1237 1.407,1238 1.335,1239 1.589,1240 1.663,1241 0.825,1242 1.644,1243 1.323,1244 1.258,1245 1.513,1246 1.533,1247 0.762,1248 1.533,1249 1.153,1250 1.064,1251 1.489,1252 1.442,1253 0.583,1254 1.429,1255 4.344,1257 5.638,1258 3.045,1259 7.124,1260 5.283,1261 8.696,1262 7.286,1263 10.315,1270 9.517,1271 8.884,1272 3.807,1275 0.741,1276 2.596,1280 41.218,1281 97.082,1282 244.7,1283 326.928,1284 361.683,1285 369.947,1286 369.947,1287 49.044,1288 8.256,1289 82,1290 82,1291 28,1292 12.647,1293 4.459,1294 3.524,1295 50.434,1296 190,1297 150,1298 0.127,1299 251.212,1300 421.29,1301 604.718,1302 54914,1304 23.167,1305 0.681,1306 0.577,1307 23.167,1308 19.606,1309 16.797,1310 0.442,1311 0.326,1312 12.246,1313 16.232,1314 12.036,1315 9.933,1316 16.797,1317 12.392,1318 14.379,1319 0.282,1320 0.182,1321 14.379,1322 9.275,1323 12.435,1324 0.183,1325 0.103,1326 12.435,1327 7.033,1328 10.471,1329 0.119,1330 0.058,1331 10.471,1332 5.129,1333 8.133,1334 0.077,1335 0.035,1336 8.133,1337 3.64,1338 0.209,1339 104.54,1340 0.194,1341 32.351,1342 0.324,1343 178,1344 417.396,1345 190.596,1346 411.599,1347 576.37,1348 390,1349 208,1350 432.569,1351 221.625,1352 440.219,1353 638.69,1354 416,1355 8.276} {0 CHEMBL146720,1 1.571,2 17.684,3 1.664,4 2.768,5 145.434,6 7.204,7 0.476,8 4.38,9 4.51,10 3.911,11 3.857,12 5.455,13 3.849,14 4.936,15 5.115,16 4.261,17 4.266,18 5.956,19 4.233,20 5.192,21 5.403,22 4.319,23 4.411,24 6.229,25 4.342,26 5.23,27 5.439,28 4.238,29 4.41,30 6.23,31 4.317,32 5.282,33 5.533,34 4.178,35 4.281,36 6.304,37 4.188,38 5.112,39 5.352,40 4.061,41 4.162,42 6.122,43 4.095,44 4.967,45 5.167,46 4.066,47 4.175,48 6.104,49 4.096,50 5.085,51 5.327,52 4.045,53 4.179,54 6.126,55 4.073,56 0.081,57 1.089,58 15.855,59 6.167,60 13.805,61 8.508,62 0.395,63 1.711,64 30.082,65 10.361,66 32.695,67 14.664,68 0.81,69 2.006,70 40.993,71 13.746,72 73.535,73 19.463,74 0.421,75 2.026,76 42.061,77 14.991,78 63.846,79 20.935,80 0.879,81 1.911,82 47.735,83 14.507,84 97.369,85 20.949,86 0.833,87 1.662,88 40.291,89 11.357,90 72.019,91 16.324,92 0.499,93 1.597,94 32.143,95 11.218,96 74.66,97 15.811,98 0.725,99 1.669,100 38.053,101 12.689,102 85.369,103 18.369,104 25,105 58,106 0.243,107 0.562,108 0.679,109 0.723,110 0.723,111 0.723,112 3.667,113 0.926,114 -1.34,115 -1.42,116 -1.48,119 38.9,121 2,125 8,140 6,141 4,142 2,149 2,150 2,156 2,161 2,162 2,163 2,169 8,171 2,172 4,176 8,178 8,180 2,181 5,182 4,186 8,189 8,191 2,193 2,197 2,199 4,201 2,202 2,203 10,206 2,207 2,208 2,210 2,211 2,213 2,214 2,215 8,220 2,224 2,225 1,226 4,228 2,229 2,231 2,235 2,236 2,237 8,240 4,248 1,249 4,259 2936,260 26.187,261 26.187,262 26.187,263 26.187,264 26.187,265 23.668,266 25.55,267 15.54,268 26.745,269 20.649,270 20.649,271 20.649,272 20.649,273 20.649,274 16.572,275 24.782,276 7.195,277 21.514,278 4.598,279 2.541,280 1.785,281 1.5,282 1.5,283 1.5,284 4.374,290 1474,291 4.359,294 221.927,295 381.222,298 385.878,302 2.892,303 41.852,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.5,312 0.5,313 0.49,314 83,315 672,316 4.55,317 3.766,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.55,326 3.712,327 6.546,328 4.076,329 3.092,330 4.504,331 2.055,332 10.36,333 3.043,334 4.023,335 3.183,336 6.093,337 3.833,338 2.884,339 3.203,340 0.933,341 8.794,342 2.731,343 3.877,344 3.182,345 5.941,346 3.622,347 2.658,348 3.158,349 0.933,350 8.278,351 2.551,352 3.701,353 2.757,354 5.317,355 3.315,356 2.373,357 3.083,358 0.51,359 6.863,360 2.234,361 3.679,362 2.737,363 5.313,364 3.292,365 2.344,366 2.99,367 0.51,368 6.844,369 2.221,370 3.345,371 2.499,372 5.097,373 2.945,374 1.975,375 2.673,377 5.916,378 1.905,379 3.343,380 2.162,381 5.096,382 2.936,383 1.967,384 2.671,386 5.913,387 1.896,388 2.916,389 2.157,390 4.362,391 2.666,392 1.671,393 1.921,395 4.274,396 1.647,397 2.745,398 1.99,399 4.165,400 2.308,401 1.338,402 1.849,404 3.571,405 1.298,406 2.739,407 1.476,408 4.151,409 2.302,410 1.321,411 1.829,413 3.493,414 1.294,415 2.412,416 1.476,417 4.01,418 2.198,419 1.251,420 1.378,422 3.275,423 1.172,424 2.334,425 1.379,426 3.414,427 2.021,428 1.071,429 1.293,431 2.275,432 1.014,433 2.313,434 1.379,435 3.343,436 2.009,437 1.054,438 1.259,440 2.126,441 1.003,442 2.008,443 1.146,444 3.335,445 1.967,446 1,447 1,449 2.103,450 0.965,451 17.733,452 0.467,453 0.794,454 0.021,455 45.5,456 1.197,457 20,458 0.526,459 25.5,460 0.671,461 35.325,462 0.93,463 42.267,464 0.587,465 37.933,466 0.998,467 9.252,468 0.243,469 9.299,470 0.245,471 0.083,473 0.327,479 0.893,480 1.376,481 0.836,482 1.125,483 0.718,484 0.979,485 1.023,486 1.121,487 0.942,488 1.003,489 0.686,490 0.954,491 0.983,492 0.908,493 1,494 0.954,495 0.943,496 0.972,497 1.103,498 1.252,499 1.122,500 1.304,501 1.258,502 1.239,503 1.203,504 0.956,505 0.966,506 0.984,507 1.211,508 0.956,509 1.608,510 0.81,511 1.089,512 0.771,513 1.254,514 0.834,515 0.971,516 1.216,517 1.085,518 1.243,519 0.992,520 1.198,521 0.787,522 1.053,523 0.918,524 1.081,525 1.024,526 1.045,527 7,528 0.121,529 4.889,530 2.208,531 1.769,532 1.32,533 0.678,534 0.484,535 0.484,536 0.344,537 28406,538 70132,539 2.113,540 47.2,542 22,543 2,545 6,547 4,550 1.78,551 2,552 4.058,553 2.999,559 113.145,560 1.571,561 3.629,562 4.385,563 4.67,564 4.67,565 4.67,566 3.471,567 3.787,568 5.22,569 4.272,570 3003.46,571 9.149,572 54977,577 444.235,578 1.324,579 5.189,580 0.167,581 0.003,582 0.084,583 0.037,584 0.034,585 0.028,586 0.015,587 0.011,588 0.012,589 0.009,590 0.4,591 0.17,592 0.75,593 0.927,594 218.026,595 -0.09,596 -0.099,597 0.043,598 -0.013,599 -0.077,600 0.036,601 -0.059,602 0.034,603 -0.003,604 0.038,605 -0.023,606 0.033,607 0.064,608 0.137,609 -0.027,610 0.061,611 0.011,612 0.015,613 -0.106,614 -0.245,615 -0.163,616 -0.258,617 -0.133,618 -0.227,619 0.04,620 -0.058,621 0.069,622 -0.026,623 -0.011,624 0.012,625 -0.204,626 0.132,627 -0.038,628 0.166,629 -0.118,630 0.103,631 0.051,632 -0.173,633 -0.126,634 -0.205,635 0.122,636 -0.198,637 0.217,638 -0.112,639 0.071,640 -0.078,641 0.106,642 -0.042,643 1.766,644 5.74,645 0.632,646 53.224,647 1.004,648 1.134,649 0.108,650 0.012,651 0.646,652 3.761,653 4.078,654 4.369,655 4.615,656 4.812,657 4.89,658 4.99,659 5.043,660 5.056,661 5.142,662 10.157,663 0.616,664 518.68,665 3.761,666 5.303,667 6.159,668 7.033,669 7.904,670 8.782,671 9.659,672 10.538,673 11.417,674 12.298,675 8.3,676 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,712 2,714 72,716 22,717 2,718 42,720 76,721 28,722 16,723 6,724 6,730 5,731 7,736 2,743 2,745 18,746 10,750 2,755 2,759 2,764 34,765 8,766 6,767 10,773 6,777 0.6,778 4,788 2,792 2,793 3,796 2,806 2,812 2,819 3,827 38,828 2,833 10,835 2,838 2,847 5.6,850 2,852 2,854 19,855 12.4,856 8.5,857 4.264,858 3.792,859 1.439,860 1.008,861 8.538,862 12.433,863 4.007,864 4.6,865 5.205,866 5.791,867 6.278,868 6.595,869 6.955,870 7.286,871 7.168,872 7.25,873 0.917,874 59,875 14.133,877 6.052,878 7.754,879 27.072,881 22.456,883 2.254,884 85.667,888 329.591,889 137.542,890 105.614,892 72.29,895 137.542,896 401.88,897 105.614,899 98.931,900 74.952,901 59.699,902 77.575,903 27.83,904 306.049,906 329.591,907 243.156,908 72.29,911 282.506,912 119.374,915 132.502,916 110.654,919 329.591,920 177.904,921 137.542,924 329.591,925 62.59,926 81.201,927 33.571,928 138.084,929 329.591,930 177.904,931 137.542,933 0.574,934 0.343,935 0.186,936 0.102,937 27,938 12,939 0.132,940 10,941 2,942 1.167,943 5.029,944 354.993,945 0.167,946 24,947 157.421,951 26.563,952 12.214,953 6.179,954 4.133,955 144.333,956 15.37,958 6.456,961 3.543,963 99.365,964 645.036,965 54,970 25.481,974 -0.199,975 72.29,976 81.64,977 0.255,978 0.588,979 0.711,980 0.757,981 0.757,982 0.757,983 5.247,984 1.967,985 6.133,986 5.916,987 4.762,988 5.288,989 2.979,990 6.936,991 4.686,992 6.44,993 1.671,994 7.688,995 5.913,996 4.29,997 5.147,998 2.262,999 7.818,1000 4.206,1001 7.748,1002 1.338,1003 9.34,1004 4.274,1005 6.351,1006 7.521,1007 3.985,1008 10.901,1009 6.21,1010 9.094,1011 1.321,1012 11.052,1013 3.571,1014 6.735,1015 8.276,1016 3.959,1017 12.623,1018 6.59,1019 10.476,1020 1.251,1021 12.801,1022 3.493,1023 8.224,1024 10.115,1025 5.244,1026 15.203,1027 8.035,1028 11.883,1029 1.071,1030 14.575,1031 3.275,1032 8.995,1033 11.279,1034 5.541,1035 17.27,1036 8.801,1037 13.309,1038 1.054,1039 16.368,1040 2.275,1041 10.256,1042 12.915,1043 6.592,1044 19.681,1045 10.029,1046 3.092,1047 1,1048 18.175,1049 2.126,1050 11.21,1051 14.269,1052 7.062,1053 21.896,1054 10.976,1055 3.092,1056 10.36,1057 19.992,1058 2.103,1059 12.377,1060 15.826,1061 7.98,1062 24.249,1063 12.119,1064 2.884,1065 10.36,1066 21.819,1067 4.504,1068 13.416,1069 17.265,1070 8.549,1071 26.528,1072 13.148,1073 2.658,1074 8.794,1075 23.652,1076 4.504,1077 14.547,1078 18.79,1079 9.389,1080 28.862,1081 14.26,1082 2.373,1083 8.278,1084 25.491,1085 3.203,1086 15.626,1087 20.267,1088 10.017,1089 31.17,1090 15.327,1091 2.344,1092 6.863,1093 27.334,1094 3.158,1095 16.745,1096 21.779,1097 10.81,1098 33.5,1099 16.43,1100 1.975,1101 6.844,1102 29.182,1103 3.083,1104 17.843,1105 23.272,1106 11.474,1107 35.821,1108 17.516,1109 26378,1110 41612,1111 28.433,1112 46.512,1113 63.083,1114 64.673,1115 64.793,1116 62.523,1117 62.582,1118 80.141,1119 13.993,1120 178.274,1121 60.135,1122 5.55,1123 5.766,1124 6.313,1125 5.17,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 17.551,1132 1.502,1133 1.54,1134 1.543,1135 1.489,1136 1.49,1137 1.908,1138 0.333,1139 4.245,1140 1.432,1141 4.149,1142 4.182,1143 4.106,1144 4.06,1145 7.429,1146 4.068,1147 4.112,1148 4.143,1149 4.072,1150 4.027,1151 7.425,1152 4.035,1153 3.871,1154 3.932,1155 3.785,1156 3.653,1157 5.053,1158 3.676,1159 3.616,1160 3.653,1161 3.544,1162 3.436,1163 5.021,1164 3.445,1165 3.568,1166 3.632,1167 3.453,1168 3.422,1169 4.959,1170 3.42,1171 3.502,1172 3.565,1173 3.38,1174 3.28,1175 4.953,1176 3.307,1177 3.404,1178 3.468,1179 3.26,1180 3.16,1181 4.565,1182 3.176,1183 3.304,1184 3.369,1185 3.188,1186 3.084,1187 4.56,1188 3.098,1189 0.108,1190 0.09,1191 0.156,1192 0.097,1193 0.074,1194 4.55,1195 0.107,1196 3.766,1197 0.049,1198 6.546,1199 0.247,1200 4.076,1201 0.072,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.936,1208 1.918,1209 2.023,1210 2.047,1211 1.28,1212 2.037,1213 1.935,1214 1.918,1215 2.02,1216 2.025,1217 1.225,1218 2.023,1219 1.781,1220 1.719,1221 1.967,1222 1.996,1223 1.224,1224 1.993,1225 1.649,1226 1.591,1227 1.851,1228 1.846,1229 1.017,1230 1.854,1231 1.648,1232 1.59,1233 1.851,1234 1.846,1235 1.016,1236 1.853,1237 1.429,1238 1.398,1239 1.604,1240 1.707,1241 0.825,1242 1.671,1243 1.31,1244 1.251,1245 1.54,1246 1.6,1247 0.764,1248 1.587,1249 1.275,1250 1.188,1251 1.515,1252 1.557,1253 0.694,1254 1.552,1255 4.443,1257 5.759,1258 3.045,1259 7.265,1260 5.416,1261 8.857,1262 7.516,1263 10.495,1269 11.398,1271 4.425,1273 11.591,1276 3.468,1280 44.363,1281 113.145,1282 261.267,1283 315.705,1284 336.235,1285 336.235,1286 336.235,1287 76.293,1288 8.641,1289 142.7,1290 142.7,1291 28,1292 12.833,1293 4.524,1294 3.7,1295 59.689,1296 239,1297 211,1298 0.119,1299 269.866,1300 462.32,1301 650.233,1302 93900,1304 26.485,1305 0.697,1306 0.562,1307 26.485,1308 21.372,1309 18.55,1310 0.442,1311 0.309,1312 12.752,1313 17.732,1314 12.543,1315 10.299,1316 18.55,1317 12.967,1318 16.242,1319 0.28,1320 0.163,1321 16.242,1322 9.459,1323 14.146,1324 0.181,1325 0.09,1326 14.146,1327 7.015,1328 11.609,1329 0.116,1330 0.049,1331 11.609,1332 4.897,1333 9.269,1334 0.076,1335 0.026,1336 9.269,1337 3.213,1338 0.198,1339 117.039,1340 0.188,1341 35.598,1342 0.301,1343 200,1344 577.523,1345 221.173,1346 548.065,1347 749,1348 516,1349 236,1350 546.604,1351 258.007,1352 548.276,1353 805.84,1354 518,1355 9.377} {0 CHEMBL146729,1 1.397,2 14.903,3 2.129,4 4.531,5 125.5,6 6.927,7 0.6,8 4.193,9 4.337,10 3.717,11 3.711,12 5.192,13 3.681,14 4.755,15 4.957,16 4.034,17 4.135,18 5.648,19 4.071,20 5.023,21 5.272,22 3.986,23 4.28,24 5.786,25 4.151,26 5.108,27 5.384,28 3.883,29 4.275,30 5.822,31 4.109,32 5.094,33 5.398,34 3.816,35 4.193,36 5.757,37 4.019,38 4.954,39 5.236,40 3.819,41 4.123,42 5.667,43 3.98,44 4.917,45 5.181,46 3.8,47 4.097,48 5.683,49 3.952,50 4.931,51 5.233,52 3.607,53 3.995,54 5.637,55 3.828,56 0.082,57 0.968,58 13.636,59 5.085,60 12.381,61 7.494,62 0.255,63 1.555,64 25.371,65 8.524,66 20.873,67 12.907,68 0.26,69 1.817,70 34.152,71 12.126,72 25.927,73 18.322,74 0.299,75 1.858,76 37.925,77 13.601,78 30.705,79 20.572,80 0.338,81 1.75,82 38.243,83 13.376,84 31.589,85 20.431,86 0.288,87 1.604,88 32.742,89 11.209,90 25.353,91 17.175,92 0.258,93 1.582,94 31.073,95 10.897,96 26.274,97 16.575,98 0.355,99 1.504,100 32.735,101 10.082,102 30.391,103 15.953,105 47,106 0.225,107 0.591,108 0.775,109 0.822,110 0.837,111 0.837,112 3.471,113 0.955,114 -4.17,115 -4.12,116 -3.89,119 40,121 4,125 4,127 1,140 5,141 3,142 1,143 2,149 1,150 1,158 2,164 1,169 7,171 2,172 7,176 6,178 7,182 4,186 5,189 5,193 6,195 1,197 1,199 7,203 6,206 2,211 8,215 5,218 1,220 1,222 3,226 7,229 2,231 1,233 2,236 1,237 3,242 3,244 3,248 1,254 1,256 5,259 1707,260 21.792,261 21.792,262 21.792,263 21.792,264 21.792,265 19.353,266 27.772,267 13.201,268 22.264,269 17.335,270 17.335,271 17.335,272 17.335,273 17.335,274 13.753,275 38.29,276 6.329,277 18.083,278 4.51,279 2.23,280 1.09,281 0.792,282 0.7,283 0.7,284 4.187,288 1,289 1,290 1038,291 3,294 164.979,295 316.894,298 140.379,302 2.37,303 12.887,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 462,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.926,327 6.095,328 3.69,329 2.753,330 3.731,331 0.657,332 8.884,333 2.58,334 3.905,335 2.88,336 5.509,337 3.631,338 2.676,339 3.445,341 7.438,342 2.563,343 3.647,344 2.758,345 5.338,346 3.48,347 2.504,348 2.813,350 6.961,351 2.441,352 3.432,353 2.393,354 5.139,355 3.143,356 2.194,357 2.654,359 6.312,360 2.081,361 3.254,362 2.18,363 5.092,364 2.994,365 2.02,366 2.589,368 5.992,369 1.955,370 3.2,371 1.795,372 4.514,373 2.73,374 1.776,375 2.235,377 4.655,378 1.69,379 2.902,380 1.604,381 4.134,382 2.435,383 1.499,384 2.047,386 3.483,387 1.4,388 2.742,389 1.37,390 3.642,391 2.312,392 1.329,393 1.847,395 3.152,396 1.305,397 2.5,398 1.173,399 3.474,400 2.095,401 1.131,402 1.5,404 2.55,405 1.087,406 2.428,407 1.077,408 3.414,409 1.984,410 1,411 1.403,413 2.275,414 0.983,415 2.263,416 1,417 3.32,418 1.984,419 1,420 1.207,422 2.136,423 0.983,424 2.118,425 0.959,426 3.247,427 1.865,428 0.901,429 1,431 2.106,432 0.866,433 2.004,434 0.854,435 3.19,436 1.638,437 0.696,438 0.927,440 1.628,441 0.654,442 2,443 0.647,444 3.086,445 1.524,446 0.618,447 0.857,449 1.372,450 0.556,451 14.8,452 0.477,453 0.496,454 0.016,455 39,456 1.258,457 18,458 0.581,459 21,460 0.677,461 26.994,462 0.871,463 33.2,464 0.553,465 25.596,466 0.826,467 7.499,468 0.242,469 7.85,470 0.253,473 0.257,479 0.924,480 1.432,481 0.849,482 1.137,483 0.666,484 1.01,485 1.228,486 1.1,487 1.038,488 1.003,489 0.863,490 0.999,491 0.982,492 1.056,493 1.064,494 1.089,495 0.775,496 1.087,497 0.79,498 1.021,499 1.035,500 1.116,501 0.739,502 1.106,503 0.656,504 0.865,505 0.848,506 0.926,507 0.696,508 0.912,509 0.865,510 0.92,511 0.916,512 0.937,513 0.764,514 0.933,515 0.788,516 1.142,517 1.022,518 1.17,519 0.871,520 1.131,521 1.172,522 0.882,523 1.063,524 0.926,525 1.228,526 0.973,527 4.5,528 0.078,529 2.889,530 0.819,531 0.997,532 0.764,533 0.364,534 0.242,535 0.183,536 0.148,537 16999,538 38457,539 2.221,540 48.3,541 2,542 14,543 1,544 4,545 2,547 2,548 4,550 1.728,551 2.188,552 3.834,553 0.193,555 1,559 83.841,560 1.397,561 3.676,562 4.817,563 5.115,564 5.207,565 5.207,566 3.284,567 4.374,568 4.925,569 4.043,570 1879.99,571 8.555,572 29182.7,574 1,577 354.413,578 0.824,579 4.929,580 0.129,581 0.003,582 0.061,583 0.019,584 0.027,585 0.022,586 0.01,587 0.007,588 0.007,589 0.006,590 0.291,591 0.33,592 0.88,594 166.591,595 0.083,596 -0.188,597 0.083,598 -0.063,599 0.235,600 -0.002,601 -0.094,602 0.054,603 -0.071,604 0.005,605 0.03,606 -0.025,607 -0.118,608 -0.047,609 -0.104,610 -0.068,611 -0.006,612 -0.082,613 -0.005,614 -0.084,615 -0.07,616 -0.101,617 0.022,618 -0.095,619 0.126,620 0.013,621 0.133,622 0.071,623 0.127,624 0.097,625 0.01,626 0.02,627 0.063,628 0.058,629 0.041,630 0.065,631 0.076,632 -0.174,633 -0.053,634 -0.164,635 -0.008,636 -0.13,637 -0.113,638 0.045,639 -0.059,640 0.017,641 -0.199,642 -0.009,643 0.714,644 1.204,645 0.839,646 38.656,647 0.991,648 1.134,649 2.944,650 8.668,651 0.657,652 3.584,653 3.871,654 4.143,655 4.382,656 4.554,657 4.615,658 4.745,659 4.875,660 4.942,661 4.984,662 8.712,663 0.616,664 415.6,665 3.584,666 5.106,667 5.948,668 6.804,669 7.659,670 8.52,671 9.382,672 10.248,673 11.114,674 11.984,675 11.7,677 1,678 1,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 60,716 21,717 1,718 35,720 64,721 24,722 15,723 3,724 3,730 5,731 6,740 3,743 5,745 15,746 9,761 1,764 29,765 5,766 2,767 7,773 7,777 0.8,786 1,788 1,792 2,793 3,796 1,814 1,815 1,819 4,827 31,833 8,834 1,837 1,838 1,844 1,854 14.167,855 10.417,856 6.833,857 3.769,858 3.559,859 1.438,860 1.018,861 6.283,862 11.68,863 3.839,864 4.407,865 4.996,866 5.574,867 6.007,868 6.328,869 6.773,870 7.197,871 7.394,872 7.61,873 0.9,874 43,875 11.44,877 4.802,878 7.425,879 22.753,881 19.127,883 1.925,884 59.667,888 317.82,889 124.167,890 89.931,895 124.167,896 317.82,897 89.931,899 18.561,900 74.439,901 114.433,902 51.605,903 13.915,904 258.964,906 317.82,907 214.098,911 247.193,912 70.627,915 93.713,916 70.274,917 50.112,919 317.82,920 89.931,921 124.167,924 317.82,925 32.406,926 96.784,927 34.796,928 50.112,929 317.82,930 89.931,931 124.167,933 0.57,934 0.331,935 0.178,936 0.091,937 23,938 8,939 0.125,940 8,941 1,942 1.077,943 4.615,944 268.895,945 0.077,946 26,947 141.58,951 20.228,952 9.63,953 4.974,954 2.484,955 71.247,956 19.999,957 11.917,958 3.416,961 3.794,962 1.948,963 34.796,964 531.918,965 45.5,975 59.432,976 68.055,977 0.237,978 0.622,979 0.816,980 0.866,981 0.881,982 0.881,983 5.051,984 1.499,985 5.889,986 4.655,987 4.554,988 5.094,989 1.038,990 6.64,991 4.475,992 6.214,993 1.329,994 7.401,995 3.483,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.783,1001 7.488,1002 1.131,1003 9.012,1004 3.152,1005 6.084,1006 7.256,1007 0.607,1008 10.491,1009 5.936,1010 8.802,1011 1,1012 10.686,1013 2.55,1014 6.33,1015 7.822,1016 0.268,1017 12.154,1018 6.154,1019 10.154,1020 1,1021 12.403,1022 2.275,1023 7.889,1024 9.764,1025 0.359,1026 14.719,1027 7.682,1028 11.534,1029 0.901,1030 14.15,1031 2.136,1032 8.564,1033 10.806,1034 0.188,1035 16.756,1036 8.334,1037 12.936,1038 0.696,1039 15.918,1040 2.106,1041 9.857,1042 12.486,1043 0.214,1044 19.154,1045 9.602,1046 3.118,1047 0.618,1048 17.704,1049 1.628,1050 10.747,1051 13.765,1052 0.125,1053 21.355,1054 10.474,1055 2.753,1056 10.431,1057 19.503,1058 1.372,1059 11.925,1060 15.333,1061 0.129,1062 23.701,1063 11.631,1064 2.676,1065 8.884,1066 21.313,1067 4.518,1068 12.924,1069 16.728,1070 0.082,1071 25.974,1072 12.616,1073 2.504,1074 7.438,1075 23.132,1076 3.731,1077 14.057,1078 18.252,1079 0.079,1080 28.306,1081 13.731,1082 2.194,1083 6.961,1084 24.959,1085 3.445,1086 15.112,1087 19.702,1088 0.054,1089 30.612,1090 14.773,1091 2.02,1092 6.312,1093 26.792,1094 2.813,1095 16.229,1096 21.211,1097 0.048,1098 32.943,1099 15.875,1100 1.776,1101 5.992,1102 28.631,1103 2.654,1104 17.314,1105 22.688,1106 0.035,1107 35.265,1108 16.949,1109 15427,1110 23387,1111 24.731,1112 39.415,1113 52.124,1114 51.545,1115 51.576,1116 51.567,1117 51.594,1118 66.962,1119 2.915,1120 141.547,1121 49.523,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1132 1.489,1133 1.473,1134 1.474,1135 1.473,1136 1.474,1137 1.913,1138 0.083,1139 4.044,1140 1.415,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.069,1147 3.928,1148 3.986,1149 3.841,1150 3.803,1151 4.929,1152 3.806,1153 3.838,1154 3.908,1155 3.789,1156 3.687,1157 4.899,1158 3.688,1159 3.813,1160 3.875,1161 3.718,1162 3.584,1163 4.4,1164 3.622,1165 3.541,1166 3.612,1167 3.396,1168 3.388,1169 4.259,1170 3.384,1171 3.315,1172 3.39,1173 3.209,1174 3.135,1175 4.113,1176 3.143,1177 3.21,1178 3.299,1179 3.059,1180 2.98,1181 3.896,1182 2.988,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.721,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.196,1197 0.023,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.074,1210 2.065,1211 1.428,1212 2.072,1213 1.884,1214 1.836,1215 2.033,1216 2.044,1217 1.277,1218 2.043,1219 1.811,1220 1.756,1221 1.963,1222 1.962,1223 1.123,1224 1.966,1225 1.66,1226 1.605,1227 1.869,1228 1.827,1229 1.072,1230 1.844,1231 1.411,1232 1.338,1233 1.595,1234 1.67,1235 0.825,1236 1.649,1237 1.339,1238 1.272,1239 1.513,1240 1.564,1241 0.764,1242 1.557,1243 1.17,1244 1.079,1245 1.501,1246 1.442,1247 0.592,1248 1.445,1249 1.153,1250 1.064,1251 1.444,1252 1.43,1253 0.572,1254 1.429,1255 4.263,1257 5.557,1258 3.045,1259 7.038,1260 5.283,1261 8.602,1262 7.286,1263 10.211,1271 9.171,1272 3.704,1275 0.62,1276 2.613,1280 36.945,1281 83.841,1282 220.588,1283 289.029,1284 306.904,1285 312.413,1286 312.413,1287 36.658,1288 8.121,1289 74.66,1290 74.66,1291 28,1292 12.528,1293 4.459,1294 3.524,1295 44.101,1296 165,1297 157,1298 0.127,1299 225.233,1300 371.6,1301 541.329,1302 47482,1304 20.882,1305 0.674,1306 0.572,1307 20.882,1308 17.744,1309 15.348,1310 0.439,1311 0.318,1312 11.003,1313 14.789,1314 10.807,1315 8.932,1316 15.348,1317 11.147,1318 13.278,1319 0.283,1320 0.178,1321 13.278,1322 8.369,1323 11.53,1324 0.186,1325 0.102,1326 11.53,1327 6.32,1328 9.52,1329 0.121,1330 0.057,1331 9.52,1332 4.485,1333 7.34,1334 0.078,1335 0.033,1336 7.34,1337 3.147,1338 0.21,1339 95.686,1340 0.201,1341 30.191,1342 0.321,1343 164,1344 390.891,1345 176.212,1346 388.17,1347 547.11,1348 368,1349 191,1350 416.885,1351 204.627,1352 424.763,1353 612.94,1354 400,1355 7.753} {0 CHEMBL146735,1 1.516,2 16.108,3 4.282,4 18.338,5 146.412,6 7.318,7 0.561,8 4.317,9 4.436,10 3.878,11 3.841,12 5.409,13 3.825,14 4.854,15 5.036,16 4.235,17 4.226,18 5.888,19 4.196,20 5.052,21 5.237,22 4.292,23 4.402,24 6.071,25 4.339,26 5.201,27 5.419,28 4.259,29 4.449,30 6.183,31 4.352,32 5.217,33 5.454,34 4.205,35 4.415,36 6.167,37 4.312,38 5.137,39 5.369,40 4.102,41 4.344,42 6.063,43 4.229,44 5.09,45 5.348,46 4.046,47 4.243,48 6.031,49 4.127,50 4.989,51 5.226,52 4.014,53 4.113,54 6.046,55 4.041,56 0.037,57 1.003,58 14.162,59 6.151,60 11.019,61 8.086,62 0.372,63 1.595,64 27.255,65 9.727,66 30.255,67 13.405,68 0.346,69 1.912,70 33.151,71 12.566,72 37.337,73 17.036,74 0.323,75 2.096,76 40.12,77 15.239,78 52.822,79 21.036,80 0.477,81 2.07,82 42.241,83 15.085,84 59.779,85 21.079,86 0.465,87 1.922,88 38.63,89 14.119,90 48.621,91 19.725,92 0.385,93 1.816,94 37.561,95 13.428,96 51.023,97 19.381,98 0.402,99 1.596,100 34.393,101 11.265,102 60.98,103 15.548,104 27,105 58,106 0.237,107 0.549,108 0.717,109 0.817,110 0.843,111 0.843,112 3.642,113 0.904,114 -5.43,115 -5.31,116 -4.96,119 42.6,120 2,124 2,125 4,140 10,141 5,142 3,156 1,159 2,164 1,169 15,171 2,172 7,174 1,176 3,178 19,181 2,182 11,186 3,189 18,193 11,195 1,197 2,199 16,203 9,206 1,208 1,211 17,214 2,215 7,220 1,222 13,225 1,226 11,229 1,231 2,233 7,237 13,242 3,244 4,248 1,249 9,254 1,256 7,259 2687,260 25.057,261 25.057,262 25.057,263 25.057,264 25.057,265 22.246,266 27.022,267 14.497,268 25.57,269 20.146,270 20.146,271 20.146,272 20.146,273 20.146,274 15.801,275 37.052,276 6.798,277 20.832,278 4.571,279 2.572,280 1.496,281 0.861,282 0.691,283 0.691,284 4.345,289 1,290 1306,291 3.317,294 126.23,295 546.726,302 2.495,303 27.119,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 79.5,315 596,316 4.441,317 3.574,318 6.521,319 4.067,320 3.073,321 4.146,322 1.058,323 10.27,324 3.061,325 4.356,326 3.299,327 6.482,328 4.007,329 3.054,330 3.967,331 0.86,332 10.074,333 2.91,334 4.224,335 3.108,336 6.151,337 3.847,338 2.857,339 3.846,340 0.8,341 9.1,342 2.82,343 4.079,344 2.858,345 6.04,346 3.731,347 2.74,348 3.59,349 0.8,350 8.651,351 2.709,352 3.686,353 2.779,354 5.354,355 3.404,356 2.466,357 3.086,359 6.891,360 2.315,361 3.589,362 2.436,363 5.219,364 3.252,365 2.281,366 2.887,368 6.438,369 2.216,370 3.444,371 2.403,372 5.146,373 3.146,374 2.184,375 2.584,377 6.27,378 2.086,379 3.293,380 2.379,381 4.943,382 2.911,383 1.97,384 2.52,386 5.604,387 1.896,388 3.101,389 2.185,390 4.923,391 2.865,392 1.904,393 2.181,395 5.483,396 1.779,397 2.844,398 1.826,399 4.179,400 2.394,401 1.387,402 1.946,404 3.634,405 1.392,406 2.739,407 1.405,408 4.077,409 2.269,410 1.285,411 1.814,413 3.393,414 1.259,415 2.536,416 1.335,417 3.982,418 2.109,419 1.137,420 1.525,422 3.077,423 1.103,424 2.5,425 1.155,426 3.881,427 2.043,428 1.05,429 1.5,431 2.896,432 1.039,433 2.468,434 1.146,435 3.414,436 2,437 1,438 1.459,440 2.275,441 1,442 2.176,443 1.095,444 3.414,445 1.967,446 1,447 1.017,449 2.275,450 0.965,451 17.5,452 0.473,453 0.938,454 0.025,455 49.25,456 1.331,457 25,458 0.676,459 24.25,460 0.655,461 32.496,462 0.878,463 39.5,464 0.581,465 40.752,466 1.101,467 10.018,468 0.271,469 7.888,470 0.213,471 0.133,473 0.36,479 0.79,480 1.336,481 0.785,482 1.14,483 0.633,484 0.989,485 0.996,486 0.973,487 0.818,488 0.819,489 0.593,490 0.787,491 1.048,492 1.044,493 1.051,494 1.045,495 0.879,496 1.043,497 0.948,498 1.096,499 1.025,500 1.125,501 1.013,502 1.095,503 1.06,504 0.943,505 1.007,506 0.962,507 1.197,508 0.976,509 0.98,510 1.026,511 1.07,512 1.056,513 0.962,514 1.079,515 0.675,516 0.99,517 0.87,518 1.012,519 0.799,520 0.97,521 1.457,522 0.966,523 0.972,524 0.9,525 1.839,526 0.873,527 8,528 0.207,529 4.889,530 2.472,531 2.161,532 1.372,533 1.069,534 0.694,535 0.362,536 0.269,537 24400,538 60107,539 2.1,540 45.6,541 3,542 24,545 1,546 3,550 1.776,551 1.965,552 3.923,553 -0.392,559 103.121,560 1.516,561 3.516,562 4.591,563 5.227,564 5.396,565 5.396,566 3.399,567 4.885,568 5.18,569 4.126,570 2748.15,571 9.085,572 46997.1,577 413.947,578 1.414,579 5.14,580 0.195,581 0.006,582 0.084,583 0.041,584 0.039,585 0.026,586 0.023,587 0.016,588 0.008,589 0.007,590 0.445,591 0.17,592 0.75,593 0.672,594 207.694,595 0.029,596 -0.156,597 0.074,598 -0.088,599 -0.014,600 -0.017,601 0.052,602 0.139,603 0.128,604 0.168,605 0.125,606 0.163,607 -0.085,608 0.038,609 -0.118,610 -0.039,611 -0.008,612 -0.074,613 -0.05,614 -0.101,615 -0.069,616 -0.113,618 -0.097,619 -0.072,620 0.029,621 -0.021,622 0.03,623 -0.085,624 0.016,625 -0.033,626 -0.05,627 -0.095,628 -0.056,629 -0.08,630 -0.083,631 0.133,632 -0.033,633 0.115,634 -0.024,635 0.15,636 0.037,637 -0.14,638 -0.011,639 0.061,640 0.063,641 -0.03,642 0.089,643 1.82,644 6.031,645 0.784,646 48.543,647 1,648 1.125,649 4.195,650 17.6,651 0.666,652 3.738,653 4.078,654 4.357,655 4.605,656 4.828,657 4.905,658 5.056,659 5.153,660 5.204,661 5.308,662 9.178,663 0.634,664 497.65,665 3.738,666 5.293,667 6.151,668 7.031,669 7.901,670 8.783,671 9.658,672 10.541,673 11.418,674 12.301,675 7.4,678 1,681 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,709 1,712 1,714 68,716 24,717 3,718 41,720 72,721 29,722 20,723 8,724 10,725 1,730 5,731 5,736 2,745 21,746 8,750 1,755 1,759 1,764 31,765 8,766 1,767 8,773 5,777 1,778 3,792 1,793 4,815 1,819 5,823 4,827 37,833 4,834 1,835 1,838 2,847 4.4,850 1,852 2,854 18.833,855 13.633,856 8.083,857 4.005,858 4.127,859 1.489,860 0.992,861 7.379,862 12.57,863 3.998,864 4.603,865 5.185,866 5.75,867 6.251,868 6.545,869 6.987,870 7.344,871 7.695,872 8.097,873 0.909,874 60,875 13.66,877 5.745,878 7.631,879 26.334,881 21.479,883 2.131,884 78.833,888 353.133,889 181.545,890 57.585,892 45.652,895 181.545,896 398.785,897 57.585,898 36.93,899 26.434,900 94.762,901 73.216,902 53.441,904 353.133,906 353.133,907 239.13,908 45.652,911 353.133,912 45.652,915 57.248,916 148.556,917 33.326,919 353.133,920 103.238,921 181.545,924 353.133,925 49.852,926 137.941,927 18.011,928 78.978,929 353.133,930 103.238,931 181.545,933 0.587,934 0.347,935 0.184,936 0.101,937 28,938 13,939 0.083,940 6,942 1,943 4.799,944 354.854,946 29,947 181.995,951 25.156,952 10.853,953 5.594,955 103.238,956 19.462,957 8.001,959 5.542,961 8.268,963 18.011,964 637.915,965 53.5,970 13.031,974 -0.153,975 67.978,976 76.517,977 0.249,978 0.578,979 0.754,980 0.859,981 0.886,982 0.886,983 5.246,984 1.97,985 6.142,986 6.27,987 4.762,988 5.291,989 1.893,990 6.952,991 4.704,992 6.453,993 1.904,994 7.704,995 5.604,996 4.369,997 5.075,998 0.57,999 7.84,1000 4.285,1001 7.759,1002 1.387,1003 9.361,1004 5.483,1005 6.365,1006 7.464,1007 1.709,1008 10.915,1009 6.257,1010 9.099,1011 1.285,1012 11.072,1013 3.634,1014 6.77,1015 8.053,1016 0.479,1017 12.611,1018 6.641,1019 10.468,1020 1.137,1021 12.819,1022 3.393,1023 8.232,1024 9.911,1025 1.641,1026 15.196,1027 8.084,1028 11.858,1029 1.05,1030 14.59,1031 3.077,1032 8.999,1033 10.878,1034 0.346,1035 17.231,1036 8.833,1037 13.263,1038 1,1039 16.379,1040 2.896,1041 10.246,1042 12.503,1043 1.626,1044 19.64,1045 10.063,1046 3.073,1047 1,1048 18.181,1049 2.275,1050 11.186,1051 13.665,1052 0.237,1053 21.824,1054 10.985,1055 3.054,1056 10.27,1057 19.994,1058 2.275,1059 12.343,1060 15.176,1061 1.645,1062 24.167,1063 12.126,1064 2.857,1065 10.074,1066 21.815,1067 4.146,1068 13.367,1069 16.442,1070 0.158,1071 26.417,1072 13.132,1073 2.74,1074 9.1,1075 23.642,1076 3.967,1077 14.488,1078 17.896,1079 1.689,1080 28.736,1081 14.237,1082 2.466,1083 8.651,1084 25.475,1085 3.846,1086 15.552,1087 19.218,1088 0.104,1089 31.017,1090 15.283,1091 2.281,1092 6.891,1093 27.313,1094 3.59,1095 16.66,1096 20.644,1097 1.749,1098 33.328,1099 16.375,1100 2.184,1101 6.438,1102 29.154,1103 3.086,1104 17.745,1105 21.998,1106 0.068,1107 35.625,1108 17.442,1109 22716,1110 35886,1111 27.452,1112 45.29,1113 62.18,1114 62.785,1115 63.841,1116 61.405,1117 61.398,1118 79.55,1119 7.037,1120 178.222,1121 59.551,1122 5.441,1123 5.574,1124 6.062,1125 5.134,1126 5.073,1127 7.146,1128 2.117,1129 17.089,1130 5.061,1131 19.075,1132 1.517,1133 1.531,1134 1.557,1135 1.498,1136 1.498,1137 1.94,1138 0.172,1139 4.347,1140 1.452,1141 4.065,1142 4.09,1143 4.022,1144 4,1145 7.429,1146 4,1147 3.964,1148 4,1149 3.916,1150 3.859,1151 5.264,1152 3.867,1153 3.867,1154 3.895,1155 3.826,1156 3.752,1157 4.868,1158 3.759,1159 3.743,1160 3.804,1161 3.649,1162 3.556,1163 4.778,1164 3.564,1165 3.681,1166 3.715,1167 3.608,1168 3.464,1169 4.538,1170 3.509,1171 3.348,1172 3.393,1173 3.277,1174 3.118,1175 4.415,1176 3.15,1177 3.209,1178 3.303,1179 3.032,1180 3.03,1181 4.346,1182 3.01,1183 3.178,1184 3.26,1185 3.01,1186 2.946,1187 3.953,1188 2.949,1189 0.108,1190 0.087,1191 0.159,1192 0.099,1193 0.075,1194 4.441,1195 0.101,1196 3.574,1197 0.026,1198 6.521,1199 0.25,1200 4.067,1201 0.075,1202 3.073,1203 4.146,1204 1.058,1205 10.27,1206 3.061,1207 2.013,1208 1.995,1209 2.098,1210 2.085,1211 1.305,1212 2.087,1213 1.917,1214 1.887,1215 2.033,1216 2.057,1217 1.244,1218 2.056,1219 1.798,1220 1.774,1221 1.923,1222 1.928,1223 1.059,1224 1.927,1225 1.703,1226 1.635,1227 1.883,1228 1.865,1229 1.002,1230 1.872,1231 1.434,1232 1.388,1233 1.695,1234 1.695,1235 0.825,1236 1.688,1237 1.278,1238 1.235,1239 1.573,1240 1.553,1241 0.733,1242 1.55,1243 1.234,1244 1.168,1245 1.552,1246 1.484,1247 0.641,1248 1.498,1249 1.174,1250 1.082,1251 1.54,1252 1.467,1253 0.621,1254 1.493,1255 4.419,1257 5.753,1258 2.398,1259 7.276,1260 4.595,1261 8.881,1262 6.555,1263 10.529,1265 7.626,1271 3.817,1272 3.041,1273 5.589,1276 4.61,1280 43.1,1281 103.121,1282 239.07,1283 312.199,1284 355.418,1285 366.928,1286 366.928,1287 58.624,1288 8.444,1289 83.73,1290 83.73,1291 29,1292 12.836,1293 4.644,1294 3.755,1295 57.168,1296 207,1297 201,1298 0.133,1299 262.813,1300 454.55,1301 633.023,1302 65581,1304 25.941,1305 0.701,1306 0.584,1307 25.941,1308 21.616,1309 17.906,1310 0.437,1311 0.301,1312 12.162,1313 17.154,1314 11.734,1315 9.784,1316 17.906,1317 12.355,1318 16.312,1319 0.281,1320 0.161,1321 16.312,1322 9.364,1323 13.957,1324 0.181,1325 0.088,1326 13.957,1327 6.738,1328 11.501,1329 0.116,1330 0.046,1331 11.501,1332 4.6,1333 9.237,1334 0.074,1335 0.026,1336 9.237,1337 3.217,1338 0.216,1339 112.535,1340 0.191,1341 34.381,1342 0.343,1343 198,1344 562.12,1345 217.18,1346 541.886,1347 752.92,1348 510,1349 234,1350 568.748,1351 254.099,1352 577.072,1353 840.32,1354 540,1355 7.432} {0 CHEMBL146815,1 1.535,2 15.857,3 2.832,4 8.019,5 163.526,6 7.184,7 0.267,8 4.455,9 4.576,10 3.976,11 3.971,12 5.574,13 3.944,14 5.019,15 5.198,16 4.345,17 4.388,18 6.15,19 4.339,20 5.308,21 5.5,22 4.521,23 4.625,24 6.348,25 4.561,26 5.528,27 5.728,28 4.61,29 4.731,30 6.659,31 4.656,32 5.624,33 5.847,34 4.555,35 4.756,36 6.704,37 4.656,38 5.614,39 5.872,40 4.439,41 4.69,42 6.646,43 4.557,44 5.553,45 5.828,46 4.21,47 4.541,48 6.507,49 4.396,50 5.352,51 5.622,52 4.184,53 4.372,54 6.322,55 4.248,56 0.145,57 1.134,58 17,59 7.556,60 14.643,61 10.034,62 0.51,63 1.829,64 32.659,65 12.627,66 76.372,67 17.399,68 0.392,69 2.378,70 43.966,71 16.794,72 69.96,73 23.112,74 0.826,75 2.734,76 57.21,77 20.653,78 137.088,79 27.893,80 0.99,81 2.913,82 64.682,83 22.151,84 158.181,85 30.757,86 0.887,87 2.882,88 64.762,89 21.777,90 154.157,91 32.001,92 1.003,93 2.585,94 63.159,95 19.272,96 160.52,97 28.47,98 0.742,99 2.136,100 50.926,101 16.708,102 103.443,103 24.368,104 92,105 64,106 0.233,107 0.547,108 0.715,109 0.802,110 0.829,111 0.84,112 3.765,113 0.945,114 -4.27,115 -4.21,116 -3.97,119 40,120 3,121 3,122 1,123 1,124 1,125 4,135 2,137 2,140 9,141 2,142 1,154 1,156 2,164 2,169 16,171 2,172 10,174 1,176 6,178 23,182 15,186 2,189 20,193 17,195 3,196 1,197 5,199 20,202 2,203 13,208 4,211 10,214 2,215 16,218 1,220 9,222 11,226 8,231 1,233 4,236 2,237 9,240 3,242 1,244 8,248 4,249 9,252 6,254 2,256 4,259 3748,260 27.835,261 27.835,262 27.835,263 27.835,264 27.835,265 25.092,266 41.139,267 16.129,268 28.228,269 22.014,270 22.014,271 22.014,272 22.014,273 22.014,274 17.854,275 53.564,276 7.375,277 22.454,278 4.787,279 2.721,280 1.61,281 1.041,282 0.863,283 0.788,284 4.451,289 1,290 1407,291 4.95,295 640.426,302 2.116,303 59.093,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 92,315 666,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.11,322 2.612,323 14.979,324 3.59,325 4.641,326 3.896,327 7.131,328 4.346,329 3.348,330 3.972,331 2.491,332 12.406,333 3.339,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.36,341 9.057,342 2.702,343 4.091,344 3.55,345 5.942,346 3.688,347 2.676,348 3.485,349 1.277,350 8.257,351 2.691,352 3.767,353 3.152,354 5.702,355 3.382,356 2.456,357 3.208,358 1.058,359 7.456,360 2.327,361 3.631,362 3.053,363 5.46,364 3.353,365 2.373,366 3.04,367 0.8,368 6.944,369 2.278,370 3.461,371 2.764,372 5.337,373 3.167,374 2.176,375 2.483,376 0.759,377 6.11,378 2.144,379 3.347,380 2.744,381 5.011,382 3.046,383 2.056,384 2.433,385 0.473,386 5.614,387 2.02,388 3.097,389 2.374,390 4.616,391 2.703,392 1.716,393 2.154,394 0.359,395 4.446,396 1.687,397 3.014,398 2.154,399 4.579,400 2.617,401 1.644,402 2.114,404 4.065,405 1.58,406 3.005,407 2.009,408 4.366,409 2.487,410 1.48,411 2.104,413 3.712,414 1.483,415 2.597,416 1.702,417 3.802,418 2.35,419 1.351,420 1.598,422 2.968,423 1.345,424 2.5,425 1.632,426 3.767,427 2.153,428 1.167,429 1.5,431 2.757,432 1.146,433 2.5,434 1.461,435 3.678,436 2.047,437 1.044,438 1.5,440 2.611,441 1.044,442 2.492,443 1.264,444 3.582,445 2,446 1,447 1.458,449 2.372,450 1,451 19.6,452 0.467,453 1.174,454 0.028,455 48.75,456 1.161,457 22.5,458 0.536,459 26.25,460 0.625,461 47.366,462 1.128,463 47,464 0.587,465 46.434,466 1.106,467 9.749,468 0.232,469 10.335,470 0.246,471 0.187,472 0.026,473 0.321,479 0.553,480 1.293,481 0.805,482 1.144,483 0.506,484 1.038,485 0.633,486 1.063,487 0.818,488 0.961,489 0.44,490 0.921,491 0.819,492 1.113,493 0.947,494 1.087,495 0.717,496 1.036,497 1.078,498 1.076,499 1.053,500 1.109,501 1.06,502 1.086,503 1.108,504 1.079,505 1.097,506 1.071,507 1.078,508 1.085,509 0.713,510 1.118,511 0.967,512 1.096,513 0.654,514 1.079,515 1.061,516 0.936,517 1.074,518 0.928,519 1.036,520 0.985,521 0.77,522 0.978,523 0.849,524 0.982,525 0.86,526 0.943,527 9,528 0.305,529 6,530 4.063,531 3.08,532 2.319,533 1.11,534 0.766,535 0.641,536 0.309,537 30065,538 85506,539 1.987,540 47.5,541 1,542 20,545 2,546 3,547 10,548 2,550 1.81,551 1.819,552 3.821,553 0.125,559 122.823,560 1.535,561 3.601,562 4.712,563 5.281,564 5.459,565 5.534,566 3.3,567 4.755,568 5.367,569 4.109,570 3537.55,571 9.476,572 65518.1,577 505.754,578 1.646,579 5.294,580 0.2,581 0.008,582 0.094,583 0.054,584 0.039,585 0.032,586 0.018,587 0.016,588 0.013,589 0.006,590 0.481,591 0.17,592 0.63,593 1.005,594 242.736,595 0.087,596 -0.036,597 0.047,598 -0.001,599 -0.001,600 0.008,601 0.119,602 0.076,603 0.093,604 0.107,605 0.15,606 0.1,607 -0.069,608 0.002,609 -0.03,610 -0.032,611 -0.019,612 -0.018,613 -0.066,614 -0.045,615 -0.085,616 -0.083,617 -0.048,618 -0.09,619 -0.105,620 -0.088,621 -0.114,622 -0.071,623 -0.092,624 -0.095,625 0.054,626 -0.143,627 0.001,628 -0.116,629 0.067,630 -0.075,631 -0.126,632 0.004,633 -0.065,634 0.006,635 -0.117,636 -0.011,637 0.088,638 -0.046,639 0.145,640 -0.021,641 -0.003,642 0.053,643 2.479,644 6.527,645 0.571,646 52.785,647 1.005,648 1.129,649 3.037,650 9.225,651 0.646,652 3.829,653 4.174,654 4.477,655 4.736,656 4.956,657 5.037,658 5.075,659 5.118,660 5.094,661 4.942,662 9.369,663 0.617,664 574.74,665 3.829,666 5.389,667 6.256,668 7.154,669 8.045,670 8.951,671 9.85,672 10.761,673 11.664,674 12.576,675 5,677 1,678 1,682 1,686 1,688 9,693 3,695 12,708 1,714 80,716 19,717 2,718 45,720 83,721 32,722 12,723 3,724 9,725 6,730 4,731 4,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 13,747 1,750 7,752 1,755 5,759 7,764 38,765 9,766 2,767 10,773 4,777 1,778 6,793 4,803 1,805 1,808 1,810 2,811 2,814 1,815 1,819 4,823 4,827 42,833 7,834 2,835 1,837 1,838 1,839 1,847 7.5,850 3,852 1,853 2,854 23.083,855 15.483,856 9.389,857 4.854,858 2.648,859 1.322,860 0.938,861 10.106,862 10.861,863 4.078,864 4.625,865 5.112,866 5.585,867 6.039,868 6.25,869 6.526,870 6.808,871 6.997,872 6.744,873 1,874 75,875 15.708,877 6.794,878 7.958,879 29.518,881 24.326,883 2.458,884 103.25,888 423.76,889 176.713,890 44.816,892 137.182,895 176.713,896 560.941,897 44.816,898 43.029,899 34.037,900 103.297,901 97.978,902 29.623,904 423.76,905 50.747,906 423.76,907 221.529,908 137.182,911 282.506,912 227.688,913 50.747,915 81.648,916 128.698,917 11.184,919 423.76,920 181.997,921 176.713,924 423.76,925 54.068,926 131.439,927 36.022,928 137.182,929 423.76,930 181.997,931 176.713,933 0.585,934 0.357,935 0.195,936 0.106,937 28,938 15,939 0.133,940 11,942 1,943 4.873,944 422.653,946 24,947 212.477,951 31.303,952 13.559,953 6.729,955 176.327,956 15.768,961 1.553,963 36.022,964 782.47,965 58,967 -0.479,970 61.374,974 1.496,975 80.392,976 90.308,977 0.243,978 0.57,979 0.745,980 0.835,981 0.864,982 0.875,983 5.347,984 2.056,985 6.279,986 6.11,987 4.86,988 5.313,989 3.521,990 7.177,991 4.829,992 6.563,993 1.716,994 7.904,995 5.614,996 4.635,997 5.223,998 3.058,999 8.513,1000 4.609,1001 7.897,1002 1.644,1003 9.65,1004 4.446,1005 6.558,1006 7.443,1007 4.842,1008 11.642,1009 6.508,1010 9.268,1011 1.48,1012 11.475,1013 4.065,1014 7.186,1015 8.144,1016 5.149,1017 13.889,1018 7.15,1019 10.676,1020 1.351,1021 13.353,1022 3.712,1023 8.632,1024 9.883,1025 6.511,1026 16.653,1027 8.581,1028 12.109,1029 1.167,1030 15.273,1031 2.968,1032 9.627,1033 10.928,1034 7.134,1035 19.203,1036 9.587,1037 13.561,1038 1.044,1039 17.222,1040 2.757,1041 10.922,1042 12.48,1043 8.302,1044 21.894,1045 10.876,1046 3.6,1047 1,1048 19.196,1049 2.611,1050 12.071,1051 13.688,1052 9.072,1053 24.537,1054 12.031,1055 3.348,1056 14.979,1057 21.187,1058 2.372,1059 13.326,1060 15.156,1061 10.141,1062 27.221,1063 13.283,1064 2.763,1065 12.406,1066 23.193,1067 4.11,1068 14.538,1069 16.446,1070 10.987,1071 29.896,1072 14.497,1073 2.676,1074 9.057,1075 25.211,1076 3.972,1077 15.788,1078 17.875,1079 12.003,1080 32.583,1081 15.745,1082 2.456,1083 8.257,1084 27.238,1085 3.91,1086 17.027,1087 19.209,1088 12.891,1089 35.271,1090 16.984,1091 2.373,1092 7.456,1093 29.272,1094 3.485,1095 18.28,1096 20.618,1097 13.877,1098 37.964,1099 18.235,1100 2.176,1101 6.944,1102 31.311,1103 3.208,1104 19.531,1105 21.977,1106 14.789,1107 40.658,1108 19.486,1109 29118,1110 49334,1111 28.838,1112 51.694,1113 67.954,1114 70.992,1115 72.165,1116 67.124,1117 67.173,1118 84.32,1119 22.379,1120 199.364,1121 66.107,1122 5.705,1123 6.2,1124 7.745,1125 5.639,1126 5.6,1127 7.11,1128 4.612,1129 22.771,1130 5.59,1131 27.276,1132 1.51,1133 1.578,1134 1.604,1135 1.492,1136 1.493,1137 1.874,1138 0.497,1139 4.43,1140 1.469,1141 4.072,1142 4.101,1143 4.025,1144 3.982,1145 7.815,1146 3.986,1147 3.996,1148 4.026,1149 3.931,1150 3.918,1151 7.434,1152 3.917,1153 3.873,1154 3.904,1155 3.837,1156 3.723,1157 7.428,1158 3.738,1159 3.766,1160 3.823,1161 3.659,1162 3.633,1163 7.426,1164 3.632,1165 3.627,1166 3.679,1167 3.534,1168 3.459,1169 6.999,1170 3.465,1171 3.508,1172 3.542,1173 3.434,1174 3.352,1175 4.763,1176 3.354,1177 3.464,1178 3.49,1179 3.406,1180 3.106,1181 4.718,1182 3.157,1183 3.391,1184 3.437,1185 3.265,1186 3.083,1187 4.527,1188 3.136,1189 0.105,1190 0.093,1191 0.177,1192 0.102,1193 0.08,1194 4.705,1195 0.091,1196 4.2,1197 0.058,1198 7.943,1199 0.333,1200 4.599,1201 0.08,1202 3.6,1203 4.11,1204 2.612,1205 14.979,1206 3.59,1207 1.999,1208 1.977,1209 2.108,1210 2.118,1211 1.452,1212 2.103,1213 1.977,1214 1.949,1215 2.086,1216 2.089,1217 1.315,1218 2.095,1219 1.801,1220 1.771,1221 1.953,1222 1.992,1223 1.2,1224 1.959,1225 1.754,1226 1.7,1227 1.911,1228 1.914,1229 1.016,1230 1.925,1231 1.595,1232 1.541,1233 1.828,1234 1.794,1235 1.004,1236 1.804,1237 1.473,1238 1.43,1239 1.714,1240 1.67,1241 0.825,1242 1.679,1243 1.289,1244 1.233,1245 1.617,1246 1.632,1247 0.804,1248 1.598,1249 1.261,1250 1.196,1251 1.597,1252 1.609,1253 0.67,1254 1.553,1255 4.511,1257 5.849,1259 7.398,1261 9.049,1263 10.757,1265 6.477,1271 4.679,1272 6.187,1273 5.191,1275 -0.643,1276 2.294,1277 -0.647,1280 49.33,1281 122.823,1282 288.049,1283 376.921,1284 422.47,1285 436.735,1286 442.735,1287 139.965,1288 8.213,1289 133.56,1290 133.56,1291 24,1292 13.092,1293 4.322,1294 3.807,1295 79.43,1296 240,1297 216,1298 0.158,1299 304.178,1300 555.98,1301 733.953,1302 48883,1304 30.441,1305 0.725,1306 0.585,1307 30.441,1308 24.567,1309 20.084,1310 0.446,1311 0.315,1312 13.975,1313 19.23,1314 13.518,1315 11.229,1316 20.084,1317 14.171,1318 18.168,1319 0.284,1320 0.171,1321 18.168,1322 10.931,1323 15.247,1324 0.175,1325 0.096,1326 15.247,1327 8.37,1328 12.766,1329 0.113,1330 0.055,1331 12.766,1332 6.205,1333 9.887,1334 0.07,1335 0.031,1336 9.887,1337 4.329,1338 0.255,1339 126.726,1340 0.186,1341 37.611,1342 0.416,1343 218,1344 678.369,1345 239.554,1346 644.695,1347 852.39,1348 596,1349 260,1350 606.876,1351 280.951,1352 610.534,1353 886.17,1354 570,1355 5.65} {0 CHEMBL146891,1 1.397,2 14.903,3 2.129,4 4.531,5 125.5,6 6.927,7 0.6,8 4.193,9 4.337,10 3.717,11 3.711,12 5.192,13 3.681,14 4.755,15 4.957,16 4.034,17 4.135,18 5.647,19 4.071,20 5.023,21 5.272,22 3.989,23 4.276,24 5.79,25 4.149,26 5.111,27 5.391,28 3.883,29 4.267,30 5.831,31 4.103,32 5.076,33 5.375,34 3.815,35 4.188,36 5.737,37 4.016,38 4.963,39 5.247,40 3.823,41 4.117,42 5.68,43 3.976,44 4.913,45 5.18,46 3.799,47 4.083,48 5.688,49 3.943,50 4.911,51 5.208,52 3.603,53 3.996,54 5.623,55 3.83,56 0.082,57 0.968,58 13.636,59 5.085,60 12.381,61 7.494,62 0.255,63 1.555,64 25.371,65 8.524,66 20.539,67 12.907,68 0.254,69 1.818,70 34.141,71 12.105,72 25.964,73 18.315,74 0.35,75 1.859,76 38.233,77 13.421,78 33.197,79 20.364,80 0.289,81 1.73,82 37.323,83 13.222,84 29.071,85 20.171,86 0.3,87 1.614,88 33.137,89 11.092,90 25.901,91 17.121,92 0.28,93 1.577,94 31.11,95 10.544,96 27.755,97 16.184,98 0.372,99 1.486,100 31.964,101 10.056,102 30.184,103 15.732,105 47,106 0.225,107 0.591,108 0.785,109 0.844,110 0.859,111 0.859,112 3.471,113 0.955,114 -4.17,115 -4.12,116 -3.89,119 40,121 4,125 4,127 1,140 5,141 3,142 1,143 2,149 1,150 1,158 2,164 1,169 7,171 2,172 7,176 6,178 7,182 4,186 4,189 5,193 6,195 2,197 2,199 7,203 6,206 1,211 6,215 7,218 1,220 1,222 5,226 4,229 2,231 1,233 2,236 2,237 4,242 3,244 3,254 1,256 4,259 1707,260 21.792,261 21.792,262 21.792,263 21.792,264 21.792,265 19.353,266 27.772,267 13.201,268 22.255,269 17.335,270 17.335,271 17.335,272 17.335,273 17.335,274 13.753,275 38.29,276 6.329,277 18.078,278 4.51,279 2.23,280 1.023,281 0.658,282 0.567,283 0.567,284 4.187,288 1,289 1,290 1038,291 3,294 164.979,295 316.894,298 140.379,302 2.37,303 12.999,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 462,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.926,327 6.095,328 3.69,329 2.753,330 3.731,331 0.657,332 8.884,333 2.58,334 3.905,335 2.88,336 5.509,337 3.631,338 2.676,339 3.445,341 7.438,342 2.56,343 3.647,344 2.758,345 5.338,346 3.477,347 2.504,348 2.813,350 6.961,351 2.434,352 3.432,353 2.393,354 5.139,355 3.143,356 2.194,357 2.654,359 6.312,360 2.081,361 3.254,362 2.18,363 5.092,364 2.993,365 2.02,366 2.589,368 5.992,369 1.955,370 3.2,371 1.795,372 4.514,373 2.73,374 1.776,375 2.235,377 4.655,378 1.69,379 2.902,380 1.604,381 4.134,382 2.458,383 1.499,384 2.047,386 3.483,387 1.436,388 2.742,389 1.37,390 3.642,391 2.313,392 1.329,393 1.847,395 3.152,396 1.307,397 2.5,398 1.173,399 3.474,400 2.095,401 1.131,402 1.5,404 2.55,405 1.088,406 2.428,407 1.077,408 3.414,409 1.984,410 1,411 1.403,413 2.275,414 0.983,415 2.263,416 1,417 3.32,418 1.956,419 1,420 1.207,422 2.136,423 0.954,424 2.118,425 0.959,426 3.247,427 1.865,428 0.901,429 1,431 2.106,432 0.866,433 2.004,434 0.854,435 3.19,436 1.642,437 0.696,438 0.927,440 1.628,441 0.656,442 2,443 0.647,444 3.086,445 1.525,446 0.618,447 0.857,449 1.372,450 0.556,451 14.8,452 0.477,453 0.496,454 0.016,455 39,456 1.258,457 18,458 0.581,459 21,460 0.677,461 26.979,462 0.87,463 33.2,464 0.553,465 25.611,466 0.826,467 7.498,468 0.242,469 7.85,470 0.253,473 0.257,479 0.924,480 1.432,481 0.849,482 1.137,483 0.666,484 1.01,485 1.228,486 1.1,487 1.038,488 1.003,489 0.872,490 0.999,491 0.969,492 1.086,493 1.06,494 1.107,495 0.764,496 1.096,497 0.839,498 0.948,499 1.037,500 1.06,501 0.795,502 1.069,503 0.643,504 0.937,505 0.855,506 0.975,507 0.684,508 0.946,509 0.911,510 0.927,511 0.915,512 0.923,513 0.799,514 0.92,515 0.896,516 1.108,517 1.032,518 1.121,519 0.973,520 1.097,521 1.137,522 0.829,523 1.085,524 0.929,525 1.221,526 0.989,527 4.5,528 0.078,529 2.889,530 0.819,531 0.997,532 0.764,533 0.364,534 0.242,535 0.183,536 0.148,537 16999,538 38293,539 2.221,540 48.3,541 2,542 14,543 1,544 4,545 2,547 2,548 4,550 1.728,551 2.188,552 3.834,553 0.193,555 1,559 83.841,560 1.397,561 3.676,562 4.884,563 5.248,564 5.34,565 5.34,566 3.284,567 4.374,568 4.925,569 4.043,570 1879.99,571 8.555,572 29182.7,574 1,577 354.413,578 0.824,579 4.929,580 0.129,581 0.003,582 0.061,583 0.019,584 0.027,585 0.022,586 0.01,587 0.007,588 0.007,589 0.006,590 0.291,591 0.33,592 0.88,594 166.591,595 0.083,596 -0.188,597 0.083,598 -0.063,599 0.235,600 -0.002,601 -0.094,602 0.054,603 -0.071,604 0.005,605 0.02,606 -0.025,607 -0.104,608 -0.077,609 -0.099,610 -0.086,611 0.008,612 -0.091,613 0.001,614 -0.008,615 -0.064,616 -0.058,617 0.022,618 -0.067,619 0.106,620 -0.055,621 0.12,622 0.031,623 0.112,624 0.069,625 0.004,626 0.013,627 0.069,628 0.062,629 0.038,630 0.071,631 0.04,632 -0.133,633 -0.054,634 -0.13,635 -0.038,636 -0.108,637 -0.088,638 0.107,639 -0.084,640 0.02,641 -0.209,642 -0.023,643 0.721,644 1.195,645 0.839,646 38.656,647 0.991,648 1.134,649 2.944,650 8.668,651 0.657,652 3.584,653 3.871,654 4.143,655 4.382,656 4.554,657 4.615,658 4.745,659 4.875,660 4.942,661 4.984,662 8.712,663 0.616,664 415.6,665 3.584,666 5.106,667 5.948,668 6.804,669 7.659,670 8.52,671 9.382,672 10.248,673 11.114,674 11.984,675 11.7,677 1,678 1,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 60,716 21,717 1,718 35,720 64,721 24,722 15,723 3,724 3,730 5,731 6,740 3,743 5,745 15,746 9,761 1,764 29,765 5,766 2,767 7,773 7,777 0.8,786 1,788 1,792 2,793 3,796 1,814 1,815 1,819 4,827 31,833 8,834 1,837 1,838 1,844 1,854 14.167,855 10.417,856 6.833,857 3.769,858 3.559,859 1.438,860 1.018,861 6.283,862 11.68,863 3.839,864 4.407,865 4.996,866 5.574,867 6.007,868 6.328,869 6.773,870 7.197,871 7.394,872 7.61,873 0.9,874 43,875 11.442,877 4.804,878 7.425,879 22.753,881 19.127,883 1.925,884 59.667,888 317.82,889 124.167,890 89.931,895 124.167,896 317.82,897 89.931,899 18.561,900 74.439,901 114.433,902 51.605,903 13.915,904 258.964,906 317.82,907 214.098,911 247.193,912 70.627,915 93.713,916 70.274,917 50.112,919 317.82,920 89.931,921 124.167,924 317.82,925 32.406,926 96.784,927 34.796,928 50.112,929 317.82,930 89.931,931 124.167,933 0.57,934 0.331,935 0.178,936 0.091,937 23,938 8,939 0.125,940 8,941 1,942 1.077,943 4.615,944 268.895,945 0.077,946 26,947 143.58,951 20.228,952 9.63,953 4.974,954 2.483,955 71.247,956 20.009,957 12.024,958 3.416,961 3.744,962 1.947,963 34.796,964 531.918,965 45.5,975 59.432,976 68.055,977 0.237,978 0.622,979 0.827,980 0.889,981 0.904,982 0.904,983 5.051,984 1.499,985 5.889,986 4.655,987 4.554,988 5.094,989 1.038,990 6.64,991 4.475,992 6.214,993 1.329,994 7.401,995 3.483,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.783,1001 7.488,1002 1.131,1003 9.012,1004 3.152,1005 6.084,1006 7.256,1007 0.607,1008 10.491,1009 5.935,1010 8.802,1011 1,1012 10.686,1013 2.55,1014 6.33,1015 7.822,1016 0.268,1017 12.154,1018 6.152,1019 10.154,1020 1,1021 12.403,1022 2.275,1023 7.889,1024 9.764,1025 0.359,1026 14.719,1027 7.68,1028 11.534,1029 0.901,1030 14.15,1031 2.136,1032 8.564,1033 10.806,1034 0.188,1035 16.756,1036 8.331,1037 12.936,1038 0.696,1039 15.918,1040 2.106,1041 9.857,1042 12.486,1043 0.214,1044 19.154,1045 9.598,1046 3.118,1047 0.618,1048 17.704,1049 1.628,1050 10.747,1051 13.765,1052 0.125,1053 21.355,1054 10.47,1055 2.753,1056 10.431,1057 19.503,1058 1.372,1059 11.925,1060 15.333,1061 0.129,1062 23.701,1063 11.628,1064 2.676,1065 8.884,1066 21.313,1067 4.518,1068 12.924,1069 16.728,1070 0.082,1071 25.974,1072 12.613,1073 2.504,1074 7.438,1075 23.132,1076 3.731,1077 14.057,1078 18.252,1079 0.079,1080 28.306,1081 13.728,1082 2.194,1083 6.961,1084 24.959,1085 3.445,1086 15.112,1087 19.702,1088 0.054,1089 30.612,1090 14.771,1091 2.02,1092 6.312,1093 26.792,1094 2.813,1095 16.229,1096 21.211,1097 0.048,1098 32.943,1099 15.873,1100 1.776,1101 5.992,1102 28.631,1103 2.654,1104 17.314,1105 22.688,1106 0.035,1107 35.265,1108 16.946,1109 15427,1110 23337,1111 24.731,1112 39.415,1113 52.124,1114 51.545,1115 51.576,1116 51.563,1117 51.594,1118 66.962,1119 2.915,1120 141.547,1121 49.527,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1132 1.489,1133 1.473,1134 1.474,1135 1.473,1136 1.474,1137 1.913,1138 0.083,1139 4.044,1140 1.415,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.069,1147 3.927,1148 3.986,1149 3.84,1150 3.8,1151 4.929,1152 3.803,1153 3.838,1154 3.908,1155 3.789,1156 3.687,1157 4.897,1158 3.688,1159 3.813,1160 3.875,1161 3.718,1162 3.585,1163 4.397,1164 3.622,1165 3.542,1166 3.613,1167 3.397,1168 3.388,1169 4.258,1170 3.385,1171 3.318,1172 3.393,1173 3.211,1174 3.14,1175 4.101,1176 3.148,1177 3.219,1178 3.303,1179 3.068,1180 3.025,1181 3.889,1182 3.023,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.797,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.196,1197 0.023,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.074,1210 2.065,1211 1.428,1212 2.071,1213 1.882,1214 1.833,1215 2.033,1216 2.044,1217 1.277,1218 2.042,1219 1.811,1220 1.757,1221 1.962,1222 1.961,1223 1.122,1224 1.966,1225 1.661,1226 1.605,1227 1.87,1228 1.828,1229 1.064,1230 1.845,1231 1.411,1232 1.339,1233 1.597,1234 1.67,1235 0.825,1236 1.65,1237 1.342,1238 1.275,1239 1.513,1240 1.566,1241 0.766,1242 1.56,1243 1.199,1244 1.119,1245 1.511,1246 1.442,1247 0.617,1248 1.454,1249 1.153,1250 1.064,1251 1.461,1252 1.435,1253 0.579,1254 1.429,1255 4.263,1257 5.557,1258 3.045,1259 7.038,1260 5.283,1261 8.602,1262 7.286,1263 10.211,1271 9.129,1272 3.692,1275 0.612,1276 2.611,1280 36.945,1281 83.841,1282 220.588,1283 293.029,1284 314.904,1285 320.413,1286 320.413,1287 36.83,1288 8.121,1289 74.66,1290 74.66,1291 28,1292 12.528,1293 4.459,1294 3.524,1295 44.101,1296 165,1297 157,1298 0.127,1299 225.233,1300 371.6,1301 541.329,1302 47482,1304 20.882,1305 0.674,1306 0.572,1307 20.882,1308 17.744,1309 15.348,1310 0.439,1311 0.318,1312 11.003,1313 14.792,1314 10.807,1315 8.934,1316 15.348,1317 11.147,1318 13.278,1319 0.283,1320 0.178,1321 13.278,1322 8.375,1323 11.53,1324 0.186,1325 0.102,1326 11.53,1327 6.294,1328 9.52,1329 0.121,1330 0.057,1331 9.52,1332 4.487,1333 7.34,1334 0.078,1335 0.033,1336 7.34,1337 3.147,1338 0.21,1339 95.686,1340 0.201,1341 30.191,1342 0.321,1343 164,1344 390.891,1345 176.212,1346 388.301,1347 547.15,1348 368,1349 191,1350 416.885,1351 204.794,1352 425.057,1353 613.34,1354 400,1355 7.456} {0 CHEMBL146976,1 1.219,2 7.667,3 3.742,4 14.001,5 76.564,6 6.06,7 0.5,8 3.753,9 3.902,10 3.152,11 3.326,12 4.637,13 3.253,14 4.34,15 4.541,16 3.478,17 3.775,18 5.108,19 3.656,20 4.659,21 4.929,22 3.48,23 3.912,24 5.334,25 3.741,26 4.65,27 4.928,28 3.358,29 3.85,30 5.332,31 3.66,32 4.544,33 4.832,34 3.228,35 3.71,36 5.247,37 3.516,38 4.398,39 4.676,40 3.084,41 3.576,42 5.095,43 3.386,44 4.298,45 4.587,46 2.867,47 3.416,48 4.949,49 3.206,50 4.197,51 4.52,52 2.481,53 3.177,54 4.786,55 2.921,56 0.058,57 0.575,58 9.949,59 3.999,60 6.969,61 5.878,62 0.092,63 0.959,64 17.539,65 7.282,66 10.264,67 10.61,68 0.126,69 1.191,70 23.475,71 9.667,72 15.896,73 14.146,74 0.132,75 1.158,76 23.188,77 9.341,78 17.509,79 13.772,80 0.147,81 1.029,82 20.825,83 8.29,84 19.178,85 12.219,86 0.115,87 0.903,88 18.111,89 6.935,90 15.063,91 10.4,92 0.109,93 0.8,94 16.327,95 6.07,96 12.198,97 9.202,98 0.108,99 0.68,100 14.545,101 5.169,102 10.766,103 7.963,104 4,105 27,106 0.22,107 0.554,108 0.73,109 0.807,110 0.832,111 0.832,112 2.961,113 1.077,114 -4.03,115 -3.98,116 -3.77,119 40,121 6,122 1,125 1,140 3,141 3,149 1,150 1,161 1,162 1,163 1,169 13,176 4,178 16,180 1,186 4,189 16,191 1,197 2,199 13,201 1,207 1,208 2,210 1,211 10,213 1,220 4,222 6,224 2,231 4,233 3,235 2,242 3,244 1,246 2,254 2,258 2,259 316,260 12.646,261 12.646,262 12.646,263 12.646,264 12.646,265 11.541,266 8.238,267 7.712,268 12.719,269 9.868,270 9.868,271 9.868,272 9.868,273 9.868,274 8.133,275 4.412,276 3.588,277 9.986,278 4.103,279 2.243,280 1.268,281 0.838,282 0.7,283 0.7,284 3.645,287 1,288 1,289 1,290 299,291 2.121,294 36.289,295 90.781,298 63.723,302 1.148,303 7.152,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 37,315 138,316 4.56,317 3.222,318 6.565,319 4.106,320 3.117,321 4.508,323 10.43,324 3.085,325 3.942,326 2.948,327 6.092,328 3.738,329 2.741,330 3.289,332 8.875,333 2.73,334 3.379,335 2.195,336 5.128,337 3.029,338 2.039,339 2.7,341 5.993,342 2.018,343 3.019,344 1.833,345 4.5,346 2.795,347 1.806,348 2.107,350 4.619,351 1.785,352 2.725,353 1.397,354 4.127,355 2.318,356 1.339,357 1.807,359 3.461,360 1.31,361 2.371,362 1.258,363 3.512,364 2.184,365 1.197,366 1.35,368 2.695,369 1.18,370 2.196,371 1.066,372 3.308,373 2,374 1,375 1.162,377 2.136,378 1,379 2,380 1,381 3.247,382 1.967,383 1,384 1,386 2.018,387 0.965,388 1.924,389 0.684,390 3.025,391 1.549,392 0.589,393 0.774,395 1.231,396 0.564,397 0.955,398 -0.051,399 2.535,400 0.672,401 -0.295,402 -0.343,404 -0.563,405 -0.285,406 0.673,407 -0.44,408 2.168,409 0.368,410 -0.614,411 -0.677,413 -1.309,414 -0.603,415 0.453,416 -0.865,417 2,418 0.124,419 -0.87,420 -1,422 -2.128,423 -0.865,424 0.208,425 -0.967,426 1.802,428 -1,429 -1.135,431 -2.347,432 -0.981,434 -1,435 1.555,436 -0.019,437 -1,438 -1.316,440 -2.675,441 -1,442 -0.087,443 -1.321,444 1.46,445 -0.494,446 -1.464,447 -1.722,449 -3.959,450 -1.414,451 8.8,452 0.489,453 0.291,454 0.016,455 18.75,456 1.042,457 8,458 0.444,459 10.75,460 0.597,461 16.212,462 0.901,463 20,464 0.5,465 9.826,466 0.546,467 3.071,468 0.171,469 5.81,470 0.323,471 0.045,473 0.284,479 1.284,480 1.117,481 1.043,482 1.031,483 1.253,484 1.023,485 0.927,486 1.146,487 1.069,488 1.132,489 0.823,490 1.113,491 0.722,492 0.997,493 0.946,494 1.013,495 0.669,496 0.997,497 0.823,498 1.043,499 1.014,500 1.064,501 0.726,502 1.053,503 0.728,504 0.988,505 0.966,506 1.022,507 0.878,508 1.011,509 1.092,510 1.115,511 1.1,512 1.109,513 1.079,514 1.106,515 1.181,516 1.159,517 1.142,518 1.142,519 0.986,520 1.14,521 1.296,522 1.041,523 1.104,524 1.038,525 1.145,526 1.055,527 2.5,528 0.012,529 2,530 0.917,531 0.564,532 0.563,533 0.272,534 0.097,535 0.042,536 0.026,537 2777,538 4659,539 2.154,540 55,541 11,542 5,543 1,545 3,547 2,550 1.588,551 2.077,552 2.964,553 1.033,555 1,557 1,559 48.77,560 1.219,561 3.079,562 4.054,563 4.484,564 4.622,565 4.622,566 2.441,567 3.155,568 4.14,569 3.027,570 463.104,571 7.036,572 4277.75,573 1,574 1,576 1,577 212.877,578 1.135,579 4.128,580 0.125,581 0.012,582 0.074,583 0.035,584 0.026,585 0.03,586 0.017,587 0.008,588 0.006,589 0.009,590 0.342,591 1,592 1,593 0.927,594 75.464,595 -0.106,596 0.135,597 0.04,598 0.111,599 -0.075,600 0.09,601 -0.057,602 -0.023,603 -0.047,604 -0.034,605 -0.01,606 -0.039,607 0.017,608 -0.009,609 0.023,610 0.01,611 0.056,612 0.016,613 -0.02,614 -0.069,615 -0.047,616 -0.063,617 -0.003,618 -0.058,619 0.136,620 -0.027,622 -0.039,623 0.044,624 -0.03,625 -0.078,626 -0.122,627 -0.119,628 -0.128,629 -0.093,630 -0.127,631 -0.091,632 -0.184,633 -0.164,634 -0.187,635 -0.083,636 -0.181,637 -0.115,638 -0.121,639 -0.142,640 -0.138,641 -0.092,642 -0.141,643 0.777,644 1.678,645 0.833,646 11.16,647 0.976,648 1.129,649 2.796,650 7.815,651 0.641,652 3.045,653 3.332,654 3.638,655 3.912,656 4.111,657 4.159,658 4.29,659 4.344,660 4.277,661 4.234,662 4.533,663 0.583,664 242.4,665 3.045,666 4.554,667 5.407,668 6.279,669 7.154,670 8.036,671 8.919,672 9.805,673 10.692,674 11.58,675 5,676 1,683 1,687 2,688 4,690 1,693 2,695 10,714 40,716 10,717 1,718 20,720 42,721 16,722 8,723 3,724 3,730 3,731 4,736 1,740 5,741 1,743 6,745 8,746 8,747 1,761 1,764 22,765 1,766 3,767 2,773 2,777 0.667,788 1,792 1,793 2,796 1,812 1,819 2,827 18,828 1,833 7,837 1,854 8.667,855 6.75,856 4.083,857 2.757,858 2.076,859 1.317,860 1.011,861 3.485,862 8.626,863 3.258,864 3.834,865 4.473,866 5.098,867 5.6,868 5.952,869 6.348,870 6.671,871 6.563,872 6.616,873 1,874 26,875 6.695,877 2.817,878 7.333,879 13.641,881 11.835,883 1.833,884 33,885 0.006,888 223.651,889 65.877,890 49.683,895 65.877,896 223.651,897 49.683,899 50.21,900 37.476,902 25.73,903 13.915,904 211.88,906 223.651,907 115.56,911 200.109,912 23.542,915 66.996,916 48.564,919 223.651,920 49.683,921 65.877,924 223.651,925 28.401,926 37.476,927 16.786,928 32.897,929 223.651,930 49.683,931 65.877,933 0.562,934 0.337,935 0.195,936 0.107,937 14,938 5,939 0.071,940 3,941 1,942 1.133,943 3.112,944 130.759,945 0.133,946 15,947 71.059,951 11.945,952 5.252,953 2.388,954 2.626,955 32.897,956 9.051,958 3.348,961 2.894,963 49.683,964 339.211,965 25,975 39.04,976 45.149,977 0.229,978 0.579,979 0.762,980 0.843,981 0.868,982 0.868,983 4.472,984 1,985 5.361,986 2.136,987 4.007,988 4.516,990 6.163,991 3.986,992 5.641,993 0.589,994 6.905,995 2.018,996 3.434,997 4.311,999 7.05,1000 3.414,1001 6.938,1002 -0.295,1003 8.556,1004 1.231,1005 5.572,1006 6.757,1008 10.172,1009 5.536,1010 8.281,1011 -0.614,1012 10.273,1013 -0.563,1014 5.916,1015 7.511,1017 11.937,1018 5.877,1019 9.668,1020 -0.87,1021 12.033,1022 -1.309,1023 7.455,1024 9.384,1026 14.535,1027 7.404,1028 11.084,1029 -1,1030 13.822,1031 -2.128,1032 8.223,1033 10.559,1035 16.634,1036 8.164,1037 12.521,1038 -1,1039 15.63,1040 -2.347,1041 9.512,1042 12.21,1044 19.056,1045 9.444,1046 3.117,1047 -1.464,1048 17.452,1049 -2.675,1050 10.474,1051 13.573,1053 21.289,1054 10.396,1055 2.741,1056 10.43,1057 19.285,1058 -3.959,1059 11.66,1060 15.135,1062 23.65,1063 11.572,1064 2.039,1065 8.875,1066 21.125,1067 4.508,1068 12.71,1069 16.579,1071 25.939,1072 12.612,1073 1.806,1074 5.993,1075 22.97,1076 3.289,1077 13.855,1078 18.107,1080 28.279,1081 13.748,1082 1.339,1083 4.619,1084 24.82,1085 2.7,1086 14.946,1087 19.585,1089 30.593,1090 14.827,1091 1.197,1092 3.461,1093 26.674,1094 2.107,1095 16.076,1096 21.099,1098 32.928,1099 15.948,1100 1,1101 2.695,1102 28.531,1103 1.807,1104 17.185,1105 22.593,1107 35.254,1108 17.046,1109 2716,1110 3580,1111 13.811,1112 25.625,1113 29.731,1114 29.622,1115 30.409,1116 29.642,1117 29.653,1118 37.394,1120 82.915,1121 29.276,1122 5.56,1123 5.222,1124 6.367,1125 5.106,1126 5.117,1127 7.508,1129 17.089,1130 5.085,1131 5.265,1132 1.487,1133 1.481,1134 1.52,1135 1.482,1136 1.483,1137 1.87,1139 4.146,1140 1.464,1141 4.145,1142 4.178,1143 4.099,1144 4.07,1145 5.028,1146 4.073,1147 3.844,1148 3.901,1149 3.713,1150 3.74,1151 4.931,1152 3.726,1153 3.54,1154 3.616,1155 3.393,1156 3.407,1157 4.355,1158 3.395,1159 3.339,1160 3.418,1161 3.193,1162 3.145,1163 4.115,1164 3.145,1165 3.111,1166 3.206,1167 2.866,1168 2.941,1169 3.792,1170 2.91,1171 3.024,1172 3.104,1173 2.855,1174 2.88,1175 3.474,1176 2.864,1177 2.875,1178 2.968,1179 2.695,1180 2.694,1181 3.449,1182 2.684,1183 2.638,1184 2.768,1185 2.369,1186 2.326,1187 3.371,1188 2.32,1189 0.228,1190 0.161,1191 0.328,1192 0.205,1193 0.156,1194 4.56,1195 0.225,1196 3.222,1198 6.565,1199 0.522,1200 4.106,1201 0.154,1202 3.117,1203 4.508,1205 10.43,1206 3.085,1207 2.004,1208 1.977,1209 2.142,1210 2.088,1211 1.509,1212 2.107,1213 1.795,1214 1.747,1215 1.973,1216 1.921,1217 1.223,1218 1.942,1219 1.646,1220 1.586,1221 1.848,1222 1.845,1223 1.04,1224 1.851,1225 1.3,1226 1.217,1227 1.538,1228 1.572,1229 0.825,1230 1.571,1231 1.153,1232 1.082,1233 1.513,1234 1.376,1235 0.774,1236 1.429,1237 1.153,1238 1.064,1239 1.436,1240 1.345,1241 0.552,1242 1.38,1243 0.87,1244 0.794,1245 1.161,1246 1.115,1247 0.234,1248 1.143,1249 0.698,1250 0.612,1251 1.061,1252 0.956,1253 0.118,1254 0.999,1255 3.714,1257 5.004,1258 2.398,1259 6.509,1260 4.727,1261 8.109,1262 6.823,1263 9.76,1269 5.678,1271 8.622,1275 0.781,1280 23.311,1281 48.77,1282 123.154,1283 162.148,1284 179.367,1285 184.877,1286 184.877,1287 20.998,1288 6.55,1289 41.81,1290 41.81,1291 17,1292 12.111,1293 3.459,1294 2.585,1295 25.679,1296 50,1297 49,1298 0.27,1299 143.947,1300 237.92,1301 342.99,1302 5145,1304 12.372,1305 0.687,1306 0.606,1307 12.372,1308 10.914,1309 8.881,1310 0.444,1311 0.359,1312 7.151,1313 8.768,1314 7.005,1315 5.819,1316 8.881,1317 7.182,1318 7.521,1319 0.279,1320 0.203,1321 7.521,1322 5.493,1323 6.578,1324 0.178,1325 0.116,1326 6.578,1327 4.282,1328 5.643,1329 0.115,1330 0.066,1331 5.643,1332 3.248,1333 4.515,1334 0.075,1335 0.039,1336 4.515,1337 2.358,1338 0.408,1339 54.096,1340 0.269,1341 17.885,1342 0.784,1343 94,1344 165.645,1345 96.415,1346 170.475,1347 245.86,1348 162,1349 111,1350 189.394,1351 113.498,1352 196.08,1353 288.52,1354 187,1355 8.469} {0 CHEMBL146983,1 1.585,2 15.605,3 1.349,4 1.82,5 146.846,6 7.036,7 0.15,8 4.39,9 4.52,10 3.883,11 3.845,12 5.493,13 3.824,14 4.964,15 5.158,16 4.23,17 4.248,18 6.1,19 4.199,20 5.239,21 5.454,22 4.371,23 4.457,24 6.259,25 4.395,26 5.394,27 5.605,28 4.447,29 4.529,30 6.551,31 4.464,32 5.438,33 5.66,34 4.404,35 4.552,36 6.542,37 4.468,38 5.454,39 5.703,40 4.355,41 4.552,42 6.519,43 4.433,44 5.503,45 5.782,46 4.191,47 4.469,48 6.465,49 4.334,50 5.328,51 5.598,52 4.144,53 4.3,54 6.338,55 4.188,56 0.172,57 1.08,58 16.702,59 6.663,60 15.1,61 9.375,62 0.605,63 1.676,64 32.106,65 10.957,66 79.096,67 16.11,68 0.546,69 2.082,70 43.003,71 14.339,72 74.733,73 21.003,74 0.969,75 2.264,76 51.664,77 16.406,78 139.386,79 23.389,80 1.014,81 2.347,82 54.327,83 16.643,84 148.067,85 24.511,86 0.885,87 2.419,88 54.675,89 17.223,90 133.016,91 26.548,92 1.024,93 2.292,94 59.912,95 16.626,96 148.988,97 26.317,98 0.945,99 1.923,100 50.154,101 14.342,102 114.864,103 22.02,104 96,105 55,106 0.246,107 0.558,108 0.761,109 0.808,110 0.828,111 0.832,112 3.668,113 0.975,114 -3.21,115 -3.2,116 -3.07,119 36,120 3,121 3,122 2,124 1,125 5,135 2,137 2,140 4,141 1,142 1,156 3,164 2,169 9,171 2,172 10,174 2,176 7,178 12,182 13,186 3,189 10,193 13,195 3,196 2,197 7,199 13,202 2,203 7,208 6,211 8,214 2,215 11,218 2,219 1,220 11,222 7,226 8,231 1,233 2,236 2,237 8,240 4,242 1,244 5,248 4,249 7,252 8,256 4,259 3300,260 25.19,261 25.19,262 25.19,263 25.19,264 25.19,265 23.198,266 41.261,267 14.825,268 25.722,269 19.55,270 19.55,271 19.55,272 19.55,273 19.55,274 16.366,275 51.378,276 6.769,277 20.159,278 4.643,279 2.633,280 1.324,281 1.02,282 0.894,283 0.867,284 4.344,290 1226,291 4.848,295 425.244,302 2.1,303 57.367,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 84.5,315 593,316 4.645,317 3.897,318 7.138,319 4.349,320 3.353,321 4.113,322 2.612,323 12.443,324 3.337,325 4.242,326 3.796,327 6.296,328 3.804,329 2.821,330 3.911,331 2.443,332 9.188,333 2.768,334 4.105,335 3.777,336 6.028,337 3.738,338 2.763,339 3.497,340 1.36,341 8.585,342 2.704,343 3.959,344 3.553,345 5.943,346 3.704,347 2.699,348 3.209,349 1.058,350 8.263,351 2.691,352 3.769,353 3.157,354 5.712,355 3.358,356 2.405,357 3.109,358 1.058,359 7.484,360 2.329,361 3.464,362 2.836,363 5.313,364 3.333,365 2.375,366 2.495,367 0.8,368 6.859,369 2.227,370 3.377,371 2.745,372 5.058,373 3.075,374 2.096,375 2.459,376 0.759,377 5.753,378 2.037,379 3.144,380 2.376,381 4.678,382 2.737,383 1.758,384 2.194,385 0.359,386 4.572,387 1.712,388 3.021,389 2.154,390 4.517,391 2.56,392 1.599,393 2.14,394 0.286,395 4.08,396 1.531,397 2.704,398 2.055,399 4.2,400 2.494,401 1.522,402 1.685,404 3.867,405 1.468,406 2.508,407 1.795,408 3.774,409 2.287,410 1.308,411 1.5,413 2.907,414 1.269,415 2.5,416 1.681,417 3.6,418 2.068,419 1.074,420 1.484,422 2.67,423 1.065,424 2.366,425 1.632,426 3.414,427 2,428 1,429 1.319,431 2.275,432 1,433 2.054,434 1.099,435 3.414,436 1.984,437 1,438 1,440 2.275,441 0.983,442 2,443 1.077,444 3.251,445 1.833,446 0.854,447 0.944,449 1.438,450 0.821,451 17.5,452 0.461,453 1.001,454 0.026,455 40.75,456 1.072,457 16.5,458 0.434,459 24.25,460 0.638,461 42.951,462 1.13,463 44.3,464 0.591,465 38.416,466 1.011,467 8.102,468 0.213,469 10.069,470 0.265,471 0.21,473 0.36,479 0.596,480 1.465,481 0.834,482 1.257,483 0.513,484 1.112,485 0.629,486 1.143,487 0.841,488 1.036,489 0.426,490 0.979,491 0.884,492 1.101,493 0.917,494 1.05,495 0.695,496 0.988,497 1.145,498 1.041,499 1.048,500 1.064,501 1.18,502 1.047,503 1.144,504 1.098,505 1.087,506 1.042,507 1.18,508 1.056,509 0.631,510 1.186,511 0.972,512 1.173,513 0.607,514 1.143,515 0.958,516 0.985,517 1.003,518 0.957,519 0.935,520 0.978,521 0.89,522 0.932,523 0.913,524 0.966,525 0.969,526 0.949,527 7.5,528 0.252,529 4.889,530 3.313,531 2.8,532 1.979,533 0.992,534 0.734,535 0.629,536 0.324,537 21750,538 63912,539 1.95,540 49.3,541 1,542 17,545 3,546 1,547 13,548 2,550 1.788,551 1.781,552 3.792,553 0.817,559 118.91,560 1.585,561 3.596,562 4.905,563 5.208,564 5.335,565 5.362,566 3.297,567 4.754,568 5.212,569 4.049,570 2846.28,571 9.187,572 48498.5,577 467.161,578 1.547,579 5.149,580 0.188,581 0.007,582 0.089,583 0.053,584 0.043,585 0.032,586 0.017,587 0.016,588 0.014,589 0.007,590 0.465,591 0.33,592 0.63,593 1.281,594 212.903,595 0.067,596 -0.105,597 0.042,598 -0.035,599 -0.002,600 -0.01,601 0.141,602 0.037,603 0.085,604 0.061,605 0.167,606 0.065,607 -0.082,608 0.009,609 0.022,610 0.02,611 -0.009,612 0.046,613 -0.09,614 0.009,615 -0.066,616 -0.029,617 -0.074,618 -0.045,619 -0.136,620 -0.068,621 -0.108,622 -0.02,623 -0.12,624 -0.057,625 0.079,626 -0.146,627 -0.033,628 -0.154,629 0.078,630 -0.123,631 -0.096,632 -0.051,633 -0.021,634 -0.016,635 -0.083,636 -0.002,637 0.028,638 0.006,639 0.076,640 -0.021,641 -0.047,642 0.026,643 2.485,644 6.425,645 0.474,646 50.343,647 1.008,648 1.139,649 1.977,650 3.91,651 0.626,652 3.714,653 4.025,654 4.29,655 4.533,656 4.754,657 4.844,658 4.883,659 4.949,660 4.97,661 4.787,662 8.77,663 0.598,664 527.69,665 3.714,666 5.252,667 6.098,668 6.976,669 7.847,670 8.736,671 9.618,672 10.513,673 11.402,674 12.302,675 6.7,677 1,678 1,682 2,686 1,688 4,693 2,695 6,708 1,714 75,716 13,717 1,718 40,720 77,721 27,722 6,723 2,724 4,725 6,730 3,731 3,736 3,740 2,741 2,743 3,745 13,746 14,747 2,750 7,752 1,755 5,759 7,764 37,765 10,766 3,767 11,773 5,777 1,778 6,793 3,805 2,808 1,810 2,811 2,814 1,815 1,819 3,823 4,827 38,833 8,834 3,835 1,837 2,838 1,847 8,850 3,852 1,853 2,854 21.333,855 14.4,856 8.667,857 4.764,858 2.015,859 1.259,860 0.924,861 10.744,862 9.794,863 3.932,864 4.437,865 4.877,866 5.318,867 5.756,868 6.038,869 6.317,870 6.643,871 6.911,872 6.653,873 1,874 63,875 14.215,877 6.048,878 8.018,879 26.628,881 21.494,883 2.518,884 95.667,888 400.217,889 127.823,890 62.827,892 137.182,895 127.823,896 537.399,897 62.827,898 40.542,899 56.64,900 55.916,901 97.549,902 26.438,904 400.217,905 50.747,906 400.217,907 190.65,908 137.182,911 223.651,912 263.001,913 50.747,915 104.251,916 75.215,917 11.184,919 400.217,920 200.008,921 127.823,924 400.217,925 55.046,926 81.571,927 54.032,928 137.182,929 400.217,930 200.008,931 127.823,933 0.576,934 0.345,935 0.184,936 0.1,937 22,938 13,939 0.143,940 11,942 1,943 4.596,944 356.361,946 18,947 189.421,951 29.657,952 13.766,953 7.367,955 194.338,956 5.934,961 0.548,963 54.032,964 728.049,965 50,967 -0.485,970 60.492,974 1.285,975 75.61,976 85.391,977 0.255,978 0.577,979 0.787,980 0.836,981 0.857,982 0.861,983 5.19,984 1.758,985 6.094,986 5.753,987 4.71,988 5.124,989 3.461,990 6.925,991 4.662,992 6.381,993 1.599,994 7.674,995 4.572,996 4.369,997 5.037,998 3.058,999 7.93,1000 4.327,1001 7.694,1002 1.522,1003 9.358,1004 4.08,1005 6.319,1006 7.209,1007 4.782,1008 11.05,1009 6.238,1010 9.04,1011 1.308,1012 11.105,1013 3.867,1014 6.792,1015 7.921,1016 5.11,1017 12.92,1018 6.725,1019 10.421,1020 1.074,1021 12.892,1022 2.907,1023 8.232,1024 9.615,1025 6.455,1026 15.6,1027 8.138,1028 11.823,1029 1,1030 14.708,1031 2.67,1032 9.075,1033 10.672,1034 7.076,1035 17.844,1036 8.994,1037 13.244,1038 1,1039 16.546,1040 2.275,1041 10.328,1042 12.19,1043 8.241,1044 20.394,1045 10.231,1046 3.353,1047 0.854,1048 18.402,1049 2.275,1050 11.347,1051 13.407,1052 9.003,1053 22.801,1054 11.259,1055 2.821,1056 12.443,1057 20.273,1058 1.438,1059 12.537,1060 14.853,1061 10.072,1062 25.319,1063 12.44,1064 2.763,1065 9.188,1066 22.156,1067 4.113,1068 13.641,1069 16.151,1070 10.91,1071 27.792,1072 13.549,1073 2.699,1074 8.585,1075 24.05,1076 3.911,1077 14.817,1078 17.566,1079 11.926,1080 30.306,1081 14.72,1082 2.405,1083 8.263,1084 25.954,1085 3.497,1086 15.964,1087 18.907,1088 12.807,1089 32.806,1090 15.869,1091 2.375,1092 7.484,1093 27.865,1094 3.209,1095 17.142,1096 20.309,1097 13.793,1098 35.322,1099 17.045,1100 2.096,1101 6.859,1102 29.784,1103 3.109,1104 18.312,1105 21.674,1106 14.701,1107 37.834,1108 18.215,1109 21680,1110 37394,1111 25.372,1112 46.938,1113 59.238,1114 62.737,1115 63.287,1116 58.755,1117 58.832,1118 71.769,1119 21.47,1120 168.456,1121 57.392,1122 5.645,1123 5.897,1124 6.908,1125 5.39,1126 5.353,1127 7.113,1128 4.612,1129 19.998,1130 5.337,1131 25.673,1132 1.481,1133 1.568,1134 1.582,1135 1.469,1136 1.471,1137 1.794,1138 0.537,1139 4.211,1140 1.435,1141 4.063,1142 4.091,1143 4.02,1144 3.97,1145 7.815,1146 3.975,1147 3.904,1148 3.957,1149 3.84,1150 3.747,1151 7.434,1152 3.751,1153 3.868,1154 3.9,1155 3.789,1156 3.715,1157 7.429,1158 3.729,1159 3.653,1160 3.71,1161 3.554,1162 3.465,1163 7.426,1164 3.472,1165 3.543,1166 3.594,1167 3.45,1168 3.34,1169 6.999,1170 3.352,1171 3.49,1172 3.558,1173 3.425,1174 3.274,1175 4.728,1176 3.269,1177 3.458,1178 3.49,1179 3.319,1180 3.094,1181 4.531,1182 3.156,1183 3.331,1184 3.409,1185 3.175,1186 3.075,1187 4.477,1188 3.097,1189 0.116,1190 0.097,1191 0.178,1192 0.109,1193 0.084,1194 4.645,1195 0.103,1196 3.897,1197 0.065,1198 7.138,1199 0.311,1200 4.349,1201 0.083,1202 3.353,1203 4.113,1204 2.612,1205 12.443,1206 3.337,1207 1.997,1208 1.975,1209 2.084,1210 2.117,1211 1.427,1212 2.101,1213 1.858,1214 1.805,1215 2.057,1216 2.045,1217 1.311,1218 2.051,1219 1.795,1220 1.764,1221 1.911,1222 1.99,1223 1.182,1224 1.953,1225 1.615,1226 1.554,1227 1.857,1228 1.834,1229 1.003,1230 1.84,1231 1.482,1232 1.426,1233 1.796,1234 1.742,1235 0.938,1236 1.753,1237 1.453,1238 1.389,1239 1.707,1240 1.703,1241 0.825,1242 1.708,1243 1.305,1244 1.214,1245 1.642,1246 1.631,1247 0.784,1248 1.583,1249 1.231,1250 1.188,1251 1.513,1252 1.553,1253 0.675,1254 1.548,1255 4.394,1257 5.707,1259 7.219,1261 8.829,1263 10.497,1265 6.889,1271 5.533,1272 8.781,1273 5.128,1275 -0.721,1276 2.282,1280 44.825,1281 118.91,1282 269.69,1283 367.877,1284 390.632,1285 400.142,1286 402.142,1287 138.777,1288 7.779,1289 145.59,1290 145.59,1291 18,1292 12.827,1293 3.807,1294 3.459,1295 80.612,1296 191,1297 260,1298 0.196,1299 279.186,1300 511.66,1301 672.973,1302 27359,1304 27.819,1305 0.732,1306 0.591,1307 27.819,1308 22.465,1309 18.171,1310 0.454,1311 0.325,1312 12.783,1313 17.243,1314 12.406,1315 10.318,1316 18.171,1317 12.996,1318 16.035,1319 0.292,1320 0.173,1321 16.035,1322 9.541,1323 13.17,1324 0.183,1325 0.098,1326 13.17,1327 7.058,1328 10.722,1329 0.117,1330 0.055,1331 10.722,1332 5.105,1333 8.186,1334 0.071,1335 0.031,1336 8.186,1337 3.613,1338 0.314,1339 115.598,1340 0.199,1341 34.766,1342 0.521,1343 190,1344 632.702,1345 213.717,1346 593.39,1347 777.28,1348 548,1349 222,1350 549.193,1351 244.283,1352 544.636,1353 790.64,1354 510,1355 4.347} {0 CHEMBL146991,1 1.505,2 14.273,3 3.737,4 13.967,5 129.384,6 7.36,7 0.658,8 4.219,9 4.35,10 3.796,11 3.741,12 5.272,13 3.729,14 4.775,15 4.959,16 4.168,17 4.184,18 5.756,19 4.141,20 5.044,21 5.276,22 4.154,23 4.33,24 5.885,25 4.239,26 5.14,27 5.385,28 4.114,29 4.364,30 5.985,31 4.245,32 5.162,33 5.423,34 4.014,35 4.292,36 6.011,37 4.159,38 5.068,39 5.342,40 3.888,41 4.18,42 5.876,43 4.04,44 4.923,45 5.199,46 3.794,47 4.07,48 5.679,49 3.928,50 4.854,51 5.133,52 3.626,53 3.967,54 5.621,55 3.821,56 0.063,57 0.978,58 12.74,59 5.056,60 12.516,61 6.969,62 0.327,63 1.612,64 24.161,65 8.619,66 25.638,67 12.375,68 0.266,69 1.903,70 33.841,71 12.007,72 28.021,73 17.514,74 0.313,75 2.003,76 38.081,77 13.767,78 37.365,79 19.965,80 0.395,81 1.927,82 40.554,83 14.073,84 52.758,85 20.387,86 0.494,87 1.766,88 37.504,89 12.376,90 48.776,91 18.31,92 0.272,93 1.575,94 31.725,95 11.059,96 29.467,97 16.612,98 0.358,99 1.44,100 30.119,101 9.616,102 34.612,103 14.473,104 2,105 54,106 0.24,107 0.604,108 0.757,109 0.831,110 0.856,111 0.856,112 3.531,113 0.915,114 -5.05,115 -4.94,116 -4.63,119 41.7,121 4,125 3,127 1,140 7,141 2,142 1,144 1,149 1,150 2,158 2,160 1,164 1,169 8,171 3,172 9,174 2,176 3,178 8,182 7,186 3,189 6,192 1,193 10,197 5,199 7,203 6,206 1,208 2,211 8,214 1,215 6,218 2,222 5,226 6,229 2,233 2,236 1,237 6,242 3,244 3,249 2,254 1,256 5,259 1832,260 23.085,261 23.085,262 23.085,263 23.085,264 23.085,265 20.212,266 24.773,267 13.595,268 23.629,269 18.801,270 18.801,271 18.801,272 18.801,273 18.801,274 14.487,275 27.311,276 6.458,277 19.727,278 4.402,279 2.116,280 1.157,281 0.692,282 0.533,283 0.533,284 4.255,288 1,289 1,290 1079,291 2.915,294 246.461,295 292.177,298 289.731,302 2.143,303 19.225,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70.5,315 471,316 4.653,317 3.365,318 6.908,319 4.188,320 3.254,321 4.583,322 0.8,323 11.591,324 3.062,325 4.568,326 3.196,327 6.566,328 4.099,329 3.118,330 4.518,332 10.431,333 3.043,334 4.129,335 2.889,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.578,343 3.758,344 2.841,345 5.794,346 3.557,347 2.606,348 3.096,350 7.867,351 2.483,352 3.495,353 2.439,354 5.347,355 3.238,356 2.296,357 2.813,359 6.885,360 2.154,361 3.418,362 2.192,363 5.128,364 3.014,365 2.036,366 2.602,368 6.003,369 1.984,370 3.25,371 2.143,372 4.962,373 2.824,374 1.903,375 2.578,377 5.422,378 1.748,379 3.21,380 1.795,381 4.606,382 2.73,383 1.776,384 2.437,386 4.655,387 1.689,388 2.868,389 1.546,390 4.514,391 2.505,392 1.537,393 1.99,395 4.484,396 1.486,397 2.827,398 1.396,399 4.133,400 2.333,401 1.354,402 1.927,404 3.479,405 1.32,406 2.739,407 1.359,408 3.611,409 2.303,410 1.319,411 1.84,413 2.934,414 1.296,415 2.426,416 1.156,417 3.501,418 2.083,419 1.118,420 1.4,422 2.532,423 1.076,424 2.26,425 1.077,426 3.414,427 1.984,428 1,429 1.201,431 2.275,432 0.983,433 2.118,434 0.935,435 3.376,436 1.861,437 0.896,438 1,440 2.1,441 0.862,442 2.03,443 0.706,444 3.304,445 1.588,446 0.632,447 0.927,449 1.573,450 0.603,451 15.633,452 0.474,453 0.671,454 0.02,455 43.5,456 1.318,457 20.5,458 0.621,459 23,460 0.697,461 28.843,462 0.874,463 34.767,464 0.579,465 30.377,466 0.921,467 8.273,468 0.251,469 7.986,470 0.242,471 0.021,473 0.333,479 0.928,480 1.408,481 0.788,482 1.085,483 0.819,484 0.948,485 0.801,486 1.083,487 0.915,488 0.973,489 0.513,490 0.954,491 0.925,492 1.025,493 0.989,494 1.015,495 0.658,496 1.004,497 0.897,498 1.027,499 1.047,500 1.116,501 0.828,502 1.104,503 1.11,504 1.005,505 1.036,506 1.073,507 1.401,508 1.062,509 1.049,510 0.896,511 1.036,512 0.952,513 1.205,514 0.995,515 0.623,516 1.025,517 0.931,518 1.059,519 0.484,520 1.037,521 1.073,522 0.869,523 1.119,524 0.957,525 1.012,526 1.025,527 5,528 0.124,529 3.778,530 2.299,531 1.433,532 0.9,533 0.589,534 0.314,535 0.17,536 0.148,537 19629,538 47046,539 2.242,540 45,541 2,542 14,543 1,544 2,545 2,547 2,548 4,550 1.745,551 2.176,552 3.758,553 0.192,559 90.284,560 1.505,561 3.79,562 4.75,563 5.215,564 5.374,565 5.374,566 3.21,567 4.597,568 5.021,569 3.977,570 2099.61,571 8.747,572 33126.2,574 1,577 354.413,578 1.096,579 5.007,580 0.132,581 0.005,582 0.07,583 0.044,584 0.03,585 0.021,586 0.016,587 0.009,588 0.006,589 0.006,590 0.339,591 0.17,592 0.88,593 0.306,594 178.851,595 0.004,596 -0.205,597 0.077,598 -0.053,599 0.028,600 0.005,601 0.137,602 0.067,603 -0.002,604 0.015,605 0.148,606 -0.008,607 -0.096,608 -0.006,609 -0.04,610 -0.011,611 0.022,612 -0.012,613 -0.047,614 -0.059,615 -0.083,616 -0.103,617 0.018,618 -0.097,619 -0.057,620 -0.1,621 -0.033,622 -0.069,623 -0.089,624 -0.054,625 -0.015,626 0.019,627 -0.022,628 0.029,629 -0.096,630 0.002,631 0.087,632 -0.097,633 0.053,634 -0.061,635 0.055,636 -0.018,637 -0.135,638 0.073,639 -0.112,640 0.008,641 -0.161,642 -0.038,643 1.528,644 4.393,645 0.879,646 35.653,647 0.998,648 1.131,649 3.816,650 14.558,651 0.668,652 3.664,653 4.007,654 4.344,655 4.654,656 4.836,657 4.934,658 5.1,659 5.22,660 5.22,661 5.283,662 8.473,663 0.636,664 441.59,665 3.664,666 5.22,667 6.098,668 6.991,669 7.882,670 8.78,671 9.676,672 10.576,673 11.475,674 12.376,675 11.7,678 1,683 3,685 3,687 4,688 10,689 3,690 1,693 3,694 2,695 25,711 1,714 60,716 25,717 2,718 38,720 65,721 25,722 17,723 5,724 7,730 6,731 8,740 3,743 5,745 17,746 8,764 27,765 5,766 2,767 8,770 1,773 7,777 0.667,778 1,788 1,792 3,793 3,796 2,815 1,819 4,827 33,832 1,833 7,837 1,838 1,844 1,847 1.7,849 1,854 15.167,855 10.567,856 7.111,857 3.793,858 4.664,859 1.534,860 1.027,861 5.464,862 13.405,863 3.942,864 4.593,865 5.263,866 5.915,867 6.374,868 6.745,869 7.184,870 7.584,871 7.649,872 7.858,873 1,874 52,875 12.195,877 5.296,878 7.53,879 23.969,881 20.633,883 2.03,884 67,887 1,888 294.278,889 124.021,890 73.82,892 42.683,895 124.021,896 336.961,897 73.82,899 16.455,900 75.381,901 133.574,902 34.367,903 16.059,904 258.964,906 294.278,907 197.841,908 42.683,911 223.651,912 113.31,915 59.545,916 88.185,917 50.112,919 294.278,920 116.503,921 124.021,924 294.278,925 31.403,926 99.541,927 16.786,928 92.795,929 294.278,930 116.503,931 124.021,933 0.583,934 0.353,935 0.202,936 0.103,937 29,938 11,939 0.092,940 6,941 2,942 1.138,943 4.656,944 313.399,945 0.138,946 29,947 158.465,951 20.608,952 8.749,953 3.971,954 4.319,955 95.919,956 19.974,957 12.15,958 3.404,961 2.565,962 3.952,963 59.469,964 534.802,965 50.5,975 59.876,976 67.85,977 0.255,978 0.642,979 0.804,980 0.883,981 0.91,982 0.91,983 5.183,984 1.776,985 6.075,986 5.422,987 4.691,988 5.281,989 0.673,990 6.911,991 4.599,992 6.391,993 1.537,994 7.642,995 4.655,996 4.205,997 5.085,998 0.325,999 7.849,1000 4.043,1001 7.705,1002 1.354,1003 9.311,1004 4.484,1005 6.301,1006 7.561,1007 0.379,1008 10.988,1009 6.114,1010 9.062,1011 1.319,1012 11.043,1013 3.479,1014 6.711,1015 8.31,1016 0.268,1017 12.817,1018 6.454,1019 10.458,1020 1.118,1021 12.818,1022 2.934,1023 8.219,1024 10.193,1025 0.239,1026 15.456,1027 7.939,1028 11.881,1029 1,1030 14.623,1031 2.532,1032 9.036,1033 11.371,1034 0.188,1035 17.639,1036 8.692,1037 13.326,1038 0.896,1039 16.448,1040 2.275,1041 10.318,1042 13.026,1043 0.156,1044 20.123,1045 9.944,1046 3.254,1047 0.632,1048 18.291,1049 2.1,1050 11.322,1051 14.395,1052 0.125,1053 22.448,1054 10.891,1055 3.118,1056 11.591,1057 20.146,1058 1.573,1059 12.517,1060 15.961,1061 0.102,1062 24.886,1063 12.051,1064 2.753,1065 10.431,1066 22.011,1067 4.583,1068 13.605,1069 17.412,1070 0.082,1071 27.27,1072 13.085,1073 2.606,1074 8.884,1075 23.884,1076 4.518,1077 14.771,1078 18.944,1079 0.066,1080 29.697,1081 14.21,1082 2.296,1083 7.867,1084 25.765,1085 3.731,1086 15.896,1087 20.43,1088 0.054,1089 32.107,1090 15.285,1091 2.036,1092 6.885,1093 27.651,1094 3.096,1095 17.054,1096 21.95,1097 0.043,1098 34.535,1099 16.399,1100 1.903,1101 6.003,1102 29.542,1103 2.813,1104 18.197,1105 23.452,1106 0.035,1107 36.958,1108 17.493,1109 17470,1110 27225,1111 26.641,1112 40.108,1113 58.137,1114 57.385,1115 58.227,1116 57.563,1117 57.509,1118 76.461,1119 1.6,1120 167.701,1121 54.879,1122 5.653,1123 5.365,1124 6.589,1125 5.248,1126 5.254,1127 7.583,1128 1.2,1129 18.737,1130 5.062,1131 7.785,1132 1.53,1133 1.51,1134 1.532,1135 1.515,1136 1.513,1137 2.012,1138 0.042,1139 4.413,1140 1.444,1141 4.165,1142 4.205,1143 4.125,1144 4.066,1145 6.477,1146 4.074,1147 4.114,1148 4.154,1149 4.081,1150 3.991,1151 5.135,1152 4.007,1153 3.838,1154 3.911,1155 3.789,1156 3.678,1157 4.939,1158 3.677,1159 3.807,1160 3.874,1161 3.699,1162 3.583,1163 4.92,1164 3.619,1165 3.537,1166 3.602,1167 3.404,1168 3.391,1169 4.345,1170 3.388,1171 3.372,1172 3.426,1173 3.281,1174 3.188,1175 4.256,1176 3.208,1177 3.262,1178 3.329,1179 3.146,1180 3.089,1181 4.192,1182 3.095,1183 3.111,1184 3.206,1185 2.892,1186 2.941,1187 3.949,1188 2.91,1189 0.122,1190 0.089,1191 0.182,1192 0.11,1193 0.086,1194 4.653,1195 0.121,1196 3.365,1197 0.021,1198 6.908,1199 0.305,1200 4.188,1201 0.081,1202 3.254,1203 4.583,1204 0.8,1205 11.591,1206 3.062,1207 1.962,1208 1.937,1209 2.085,1210 2.088,1211 1.444,1212 2.09,1213 1.943,1214 1.908,1215 2.038,1216 2.05,1217 1.282,1218 2.047,1219 1.819,1220 1.765,1221 1.979,1222 1.963,1223 1.13,1224 1.972,1225 1.665,1226 1.61,1227 1.87,1228 1.833,1229 1.082,1230 1.847,1231 1.419,1232 1.349,1233 1.594,1234 1.683,1235 0.825,1236 1.656,1237 1.366,1238 1.305,1239 1.513,1240 1.617,1241 0.771,1242 1.582,1243 1.238,1244 1.178,1245 1.495,1246 1.474,1247 0.588,1248 1.471,1249 1.153,1250 1.064,1251 1.404,1252 1.442,1253 0.561,1254 1.429,1255 4.344,1257 5.68,1258 3.434,1259 7.207,1260 5.778,1261 8.822,1262 7.861,1263 10.485,1270 10.393,1271 7.393,1275 0.304,1276 2.546,1280 38.133,1281 90.284,1282 227.43,1283 284.988,1284 312.904,1285 322.413,1286 322.413,1287 41.6,1288 8.741,1289 87.79,1290 87.79,1291 33,1292 12.898,1293 4.7,1294 3.755,1295 43.66,1296 174,1297 132,1298 0.121,1299 228.501,1300 371.79,1301 549.302,1302 98894,1304 22.2,1305 0.673,1306 0.559,1307 22.2,1308 18.431,1309 16.259,1310 0.428,1311 0.305,1312 11.435,1313 15.631,1314 11.261,1315 9.257,1316 16.259,1317 11.594,1318 14.589,1319 0.27,1320 0.164,1321 14.589,1322 8.86,1323 13.086,1324 0.172,1325 0.091,1326 13.086,1327 6.888,1328 11.533,1329 0.111,1330 0.05,1331 11.533,1332 5.154,1333 8.978,1334 0.072,1335 0.029,1336 8.978,1337 3.609,1338 0.198,1339 101.682,1340 0.194,1341 31.338,1342 0.311,1343 184,1344 462.353,1345 200.618,1346 455.494,1347 646.77,1348 430,1349 222,1350 505.084,1351 240.146,1352 510.011,1353 750.04,1354 482,1355 8.79} {0 CHEMBL147071,1 1.495,2 14.647,3 3.725,4 13.873,5 135.013,6 7.166,7 0.486,8 4.241,9 4.366,10 3.77,11 3.771,12 5.346,13 3.747,14 4.772,15 4.956,16 4.12,17 4.161,18 5.845,19 4.119,20 5.007,21 5.192,22 4.228,23 4.36,24 6.068,25 4.288,26 5.158,27 5.378,28 4.178,29 4.394,30 6.178,31 4.287,32 5.185,33 5.432,34 4.101,35 4.346,36 6.152,37 4.229,38 5.075,39 5.315,40 3.982,41 4.247,42 6.028,43 4.123,44 4.994,45 5.255,46 3.952,47 4.131,48 5.979,49 4.017,50 4.899,51 5.136,52 3.904,53 3.999,54 6.029,55 3.929,56 0.036,57 0.925,58 13.618,59 5.747,60 10.223,61 7.734,62 0.316,63 1.469,64 25.438,65 9.266,66 34.112,67 12.89,68 0.306,69 1.812,70 32.109,71 12.447,72 38.612,73 17.017,74 0.301,75 1.976,76 38.855,77 14.894,78 57.001,79 20.647,80 0.471,81 1.955,82 41.545,83 14.719,84 64.751,85 20.802,86 0.463,87 1.766,88 36.92,89 13.242,90 55.946,91 18.695,92 0.361,93 1.625,94 34.337,95 12.178,96 50.723,97 17.662,98 0.391,99 1.435,100 31.7,101 10.077,102 67.89,103 14.001,104 41,105 52,106 0.238,107 0.55,108 0.713,109 0.809,110 0.838,111 0.845,112 3.56,113 0.916,114 -3.82,115 -3.78,116 -3.59,119 42.2,120 1,124 2,125 4,140 10,141 5,142 3,156 2,161 1,162 1,163 1,169 15,172 4,173 1,174 2,176 4,178 19,180 1,181 2,182 7,186 5,189 18,191 2,193 7,195 1,197 4,199 15,201 2,203 5,206 1,208 3,211 15,213 2,214 2,215 4,220 2,222 11,224 1,225 1,226 8,229 1,231 4,233 5,235 2,237 9,242 5,244 3,246 2,248 1,249 6,254 2,256 5,258 1,259 2128,260 22.748,261 22.748,262 22.748,263 22.748,264 22.748,265 20.375,266 27.421,267 13.143,268 23.157,269 18.142,270 18.142,271 18.142,272 18.142,273 18.142,274 14.421,275 37.933,276 6.113,277 18.68,278 4.505,279 2.542,280 1.516,281 0.915,282 0.735,283 0.692,284 4.253,289 1,290 1066,291 3.606,295 501.167,302 2.277,303 29.905,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 73,315 498,316 4.422,317 3.574,318 6.521,319 4.053,320 3.064,321 4.11,322 1.058,323 10.27,324 3.054,325 4.355,326 3.507,327 6.474,328 4.005,329 3.044,330 3.965,331 0.98,332 10.03,333 2.908,334 4.153,335 3.299,336 6.048,337 3.803,338 2.802,339 3.7,340 0.86,341 8.677,342 2.793,343 3.946,344 3.033,345 5.899,346 3.62,347 2.613,348 3.332,349 0.8,350 8.12,351 2.626,352 3.631,353 2.78,354 5.354,355 3.4,356 2.462,357 2.93,358 0.8,359 6.885,360 2.309,361 3.464,362 2.425,363 5.213,364 3.178,365 2.223,366 2.664,368 6.419,369 2.114,370 3.354,371 2.4,372 5.022,373 2.963,374 1.981,375 2.527,377 5.616,378 1.957,379 3.101,380 2.318,381 4.923,382 2.869,383 1.939,384 2.181,386 5.584,387 1.78,388 2.844,389 1.91,390 4.154,391 2.395,392 1.387,393 1.947,395 3.61,396 1.393,397 2.794,398 1.752,399 3.984,400 2.299,401 1.278,402 1.824,404 3.114,405 1.294,406 2.541,407 1.335,408 3.881,409 2.109,410 1.136,411 1.5,413 3.017,414 1.103,415 2.5,416 1.225,417 3.77,418 2.033,419 1.021,420 1.491,422 2.703,423 1.027,424 2.468,425 1.146,426 3.414,427 2,428 1,429 1.459,431 2.275,432 1,433 2,434 1.095,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 1.797,443 1,444 3.021,445 1.514,446 0.626,447 0.707,449 1.106,450 0.549,451 16.1,452 0.474,453 0.907,454 0.027,455 44.25,456 1.301,457 22.5,458 0.662,459 21.75,460 0.64,461 29.133,462 0.857,463 36.7,464 0.573,465 37.381,466 1.099,467 9.089,468 0.267,469 7.261,470 0.214,471 0.159,473 0.36,479 0.8,480 1.316,481 0.831,482 1.092,483 0.653,484 0.977,485 0.954,486 0.946,487 0.86,488 0.82,489 0.506,490 0.813,491 0.946,492 1.081,493 1.041,494 1.09,495 0.818,496 1.077,497 0.913,498 1.13,499 1.029,500 1.158,501 0.917,502 1.122,503 1.031,504 0.938,505 0.994,506 0.957,507 0.95,508 0.968,509 0.99,510 1.012,511 1.062,512 1.034,513 0.939,514 1.059,515 0.659,516 0.987,517 0.811,518 0.977,519 0.64,520 0.92,521 1.558,522 0.963,523 0.998,524 0.886,525 1.621,526 0.864,527 7.5,528 0.194,529 4.667,530 2.375,531 2.071,532 1.236,533 0.928,534 0.698,535 0.348,536 0.239,537 17989,538 45544,539 2.042,540 46.9,541 3,542 24,545 3,550 1.756,551 1.889,552 3.793,553 0.782,559 95.656,560 1.495,561 3.458,562 4.484,563 5.085,564 5.265,565 5.308,566 3.248,567 4.617,568 5.058,569 3.995,570 2241.26,571 8.847,572 35583.9,577 384,578 1.484,579 5.006,580 0.203,581 0.006,582 0.09,583 0.042,584 0.041,585 0.026,586 0.023,587 0.017,588 0.009,589 0.008,590 0.465,591 0.33,592 1,593 0.832,594 185.175,595 -0.045,596 -0.113,597 0.044,598 -0.027,599 -0.07,600 0.015,601 -0.003,602 0.182,603 0.083,604 0.18,605 0.121,606 0.153,607 -0.047,608 0.007,609 -0.109,610 -0.069,611 0.001,612 -0.092,613 -0.034,614 -0.135,615 -0.075,616 -0.142,617 -0.016,618 -0.12,619 -0.053,620 0.025,621 -0.005,622 0.028,623 -0.05,624 0.021,625 -0.024,626 -0.039,627 -0.081,628 -0.044,629 -0.083,630 -0.07,631 0.166,632 -0.029,633 0.172,634 0.003,635 0.147,636 0.079,637 -0.158,638 0.004,639 0.044,640 0.058,641 -0.057,642 0.08,643 2.115,644 5.919,645 0.706,646 40.893,647 0.998,648 1.125,649 2.591,650 6.713,651 0.661,652 3.638,653 3.97,654 4.234,655 4.454,656 4.7,657 4.762,658 4.898,659 4.927,660 4.949,661 5.081,662 8.433,663 0.626,664 458.61,665 3.638,666 5.187,667 6.038,668 6.913,669 7.779,670 8.655,671 9.527,672 10.404,673 11.278,674 12.156,675 6.3,678 1,681 1,682 2,688 10,693 8,695 18,701 1,702 1,709 1,712 1,714 64,716 20,717 3,718 37,720 67,721 27,722 18,723 8,724 10,725 2,730 4,731 4,736 1,745 20,746 7,750 2,755 2,759 2,764 30,765 7,766 3,767 7,773 4,777 1,778 3,793 4,815 1,819 4,823 3,827 34,828 1,833 4,834 1,835 1,838 2,847 4.7,850 2,852 1,854 18,855 12.317,856 7.5,857 3.657,858 3.433,859 1.43,860 0.985,861 7.322,862 11.415,863 3.892,864 4.472,865 5.029,866 5.559,867 6.104,868 6.353,869 6.763,870 6.995,871 7.292,872 7.723,873 0.9,874 56,875 12.572,877 5.289,878 7.755,879 24.041,881 19.555,883 2.255,884 76.667,888 317.82,889 167.384,890 57.157,892 61.29,895 167.384,896 379.109,897 57.157,898 28.105,899 59.331,900 94.762,901 59.699,902 43.933,904 317.82,906 317.82,907 224.541,908 61.29,911 317.82,912 61.29,915 71.28,916 153.26,919 317.82,920 118.446,921 167.384,924 317.82,925 44.517,926 129.116,927 18.011,928 94.187,929 317.82,930 118.446,931 167.384,933 0.586,934 0.346,935 0.178,936 0.1,937 24,938 12,939 0.09,940 6,942 1,943 4.46,944 310.989,946 24,947 164.974,951 23.959,952 10.391,953 5.499,955 118.446,956 18.512,961 6.448,963 50.908,964 603.65,965 48,970 24.316,974 -0.627,975 63.876,976 72.019,977 0.249,978 0.576,979 0.747,980 0.848,981 0.878,982 0.885,983 5.139,984 1.939,985 6.033,986 5.616,987 4.654,988 5.159,989 2.147,990 6.841,991 4.605,992 6.343,993 1.387,994 7.598,995 5.584,996 4.29,997 4.977,998 0.57,999 7.745,1000 4.224,1001 7.649,1002 1.278,1003 9.26,1004 3.61,1005 6.256,1006 7.312,1007 1.997,1008 10.807,1009 6.165,1010 8.987,1011 1.136,1012 10.975,1013 3.114,1014 6.673,1015 7.909,1016 0.479,1017 12.506,1018 6.57,1019 10.354,1020 1.021,1021 12.726,1022 3.017,1023 8.124,1024 9.749,1025 1.936,1026 15.086,1027 8,1028 11.742,1029 1,1030 14.5,1031 2.703,1032 8.895,1033 10.711,1034 0.346,1035 17.121,1036 8.76,1037 13.145,1038 1,1039 16.29,1040 2.275,1041 10.137,1042 12.334,1043 1.914,1044 19.529,1045 9.984,1046 3.064,1047 0.626,1048 18.094,1049 2.275,1050 11.077,1051 13.485,1052 0.237,1053 21.714,1054 10.912,1055 3.044,1056 10.27,1057 19.907,1058 1.106,1059 12.232,1060 14.998,1061 1.919,1062 24.058,1063 12.05,1064 2.802,1065 10.03,1066 21.728,1067 4.11,1068 13.255,1069 16.253,1070 0.158,1071 26.311,1072 13.058,1073 2.613,1074 8.677,1075 23.556,1076 3.965,1077 14.374,1078 17.71,1079 1.943,1080 28.632,1081 14.161,1082 2.462,1083 8.12,1084 25.389,1085 3.7,1086 15.437,1087 19.024,1088 0.104,1089 30.917,1090 15.209,1091 2.223,1092 6.885,1093 27.226,1094 3.332,1095 16.544,1096 20.45,1097 1.982,1098 33.231,1099 16.3,1100 1.981,1101 6.419,1102 29.068,1103 2.93,1104 17.627,1105 21.798,1106 0.068,1107 35.531,1108 17.367,1109 17237,1110 27583,1111 24.274,1112 42.284,1113 55.821,1114 57.311,1115 57.856,1116 55.147,1117 55.151,1118 70.674,1119 8.996,1120 159.406,1121 53.743,1122 5.422,1123 5.574,1124 6.062,1125 5.121,1126 5.064,1127 7.11,1128 2.117,1129 17.043,1130 5.054,1131 19.82,1132 1.509,1133 1.549,1134 1.564,1135 1.49,1136 1.491,1137 1.91,1138 0.243,1139 4.308,1140 1.453,1141 4.052,1142 4.078,1143 4.004,1144 3.996,1145 7.438,1146 3.994,1147 3.959,1148 3.994,1149 3.907,1150 3.858,1151 7.429,1152 3.866,1153 3.818,1154 3.852,1155 3.761,1156 3.738,1157 4.911,1158 3.739,1159 3.734,1160 3.788,1161 3.622,1162 3.556,1163 4.863,1164 3.563,1165 3.411,1166 3.45,1167 3.357,1168 3.201,1169 4.769,1170 3.232,1171 3.315,1172 3.373,1173 3.214,1174 3.07,1175 4.531,1176 3.092,1177 3.207,1178 3.303,1179 3.021,1180 2.959,1181 4.415,1182 2.955,1183 3.157,1184 3.228,1185 2.999,1186 2.941,1187 4.345,1188 2.94,1189 0.12,1190 0.097,1191 0.176,1192 0.11,1193 0.083,1194 4.422,1195 0.111,1196 3.574,1197 0.029,1198 6.521,1199 0.278,1200 4.053,1201 0.083,1202 3.064,1203 4.11,1204 1.058,1205 10.27,1206 3.054,1207 2.014,1208 1.996,1209 2.1,1210 2.086,1211 1.305,1212 2.089,1213 1.917,1214 1.888,1215 2.034,1216 2.058,1217 1.241,1218 2.057,1219 1.8,1220 1.776,1221 1.925,1222 1.931,1223 1.058,1224 1.93,1225 1.703,1226 1.635,1227 1.884,1228 1.868,1229 0.998,1230 1.875,1231 1.311,1232 1.274,1233 1.573,1234 1.583,1235 0.825,1236 1.564,1237 1.238,1238 1.178,1239 1.568,1240 1.537,1241 0.641,1242 1.543,1243 1.174,1244 1.083,1245 1.54,1246 1.47,1247 0.616,1248 1.495,1249 1.153,1250 1.065,1251 1.513,1252 1.381,1253 0.576,1254 1.429,1255 4.317,1257 5.645,1259 7.169,1261 8.777,1263 10.427,1265 5.718,1269 5.366,1271 3.782,1272 3.005,1273 5.562,1276 4.584,1280 40.078,1281 95.656,1282 221.32,1283 287.006,1284 325.471,1285 336.98,1286 339.735,1287 64.942,1288 7.982,1289 87.9,1290 87.9,1291 24,1292 12.694,1293 4.392,1294 3.585,1295 57.238,1296 174,1297 164,1298 0.159,1299 247.155,1300 434.85,1301 594.817,1302 35807,1304 24.242,1305 0.713,1306 0.582,1307 24.242,1308 19.798,1309 16.351,1310 0.442,1311 0.305,1312 11.132,1313 15.745,1314 10.753,1315 8.967,1316 16.351,1317 11.292,1318 14.877,1319 0.286,1320 0.165,1321 14.877,1322 8.602,1323 12.498,1324 0.184,1325 0.092,1326 12.498,1327 6.25,1328 9.999,1329 0.118,1330 0.049,1331 9.999,1332 4.207,1333 8.211,1334 0.075,1335 0.027,1336 8.211,1337 2.973,1338 0.257,1339 102.342,1340 0.203,1341 31.925,1342 0.416,1343 178,1344 498.142,1345 192.551,1346 483.787,1347 658.42,1348 452,1349 209,1350 478.494,1351 223.749,1352 491.517,1353 713.28,1354 459,1355 8} {0 CHEMBL147077,1 1.562,2 15.907,3 2.45,4 6,5 166.694,6 7.192,7 0.261,8 4.483,9 4.607,10 4.003,11 3.98,12 5.605,13 3.957,14 5.044,15 5.226,16 4.365,17 4.398,18 6.179,19 4.351,20 5.326,21 5.522,22 4.548,23 4.636,24 6.364,25 4.575,26 5.55,27 5.75,28 4.639,29 4.736,30 6.697,31 4.668,32 5.632,33 5.853,34 4.604,35 4.766,36 6.721,37 4.677,38 5.645,39 5.899,40 4.503,41 4.727,42 6.691,43 4.601,44 5.616,45 5.895,46 4.298,47 4.602,48 6.563,49 4.462,50 5.419,51 5.682,52 4.242,53 4.441,54 6.416,55 4.318,56 0.163,57 1.185,58 17.558,59 7.493,60 15.421,61 10.122,62 0.599,63 1.885,64 33.651,65 12.511,66 80.752,67 17.525,68 0.388,69 2.428,70 44.768,71 16.956,72 65.249,73 23.638,74 0.949,75 2.777,76 58.81,77 20.46,78 149.542,79 27.835,80 1.037,81 2.953,82 65.081,83 21.544,84 158.675,85 30.376,86 1.02,87 2.987,88 66.581,89 21.666,90 157.817,91 32.275,92 1.072,93 2.724,94 67.262,95 19.965,96 160.826,97 30.174,98 0.879,99 2.272,100 54.283,101 17.3,102 116.785,103 25.328,104 95,105 65,106 0.236,107 0.552,108 0.724,109 0.797,110 0.827,111 0.83,112 3.787,113 0.94,114 -3.95,115 -3.9,116 -3.7,119 39,120 2,121 3,122 1,123 1,124 2,125 4,135 2,137 2,140 9,141 2,142 1,156 3,164 2,169 16,171 2,172 9,174 2,176 7,178 22,182 15,186 3,189 19,193 17,195 3,196 2,197 7,199 17,202 2,203 13,208 6,211 8,214 2,215 15,218 2,219 1,220 11,222 8,226 8,231 1,233 4,236 2,237 8,240 4,242 2,244 7,248 4,249 7,252 8,254 2,256 4,259 4046,260 28.705,261 28.705,262 28.705,263 28.705,264 28.705,265 26.015,266 43.061,267 16.634,268 29.2,269 22.435,270 22.435,271 22.435,272 22.435,273 22.435,274 18.268,275 54.914,276 7.537,277 22.959,278 4.796,279 2.704,280 1.568,281 1.089,282 0.89,283 0.866,284 4.474,290 1442,291 5.05,295 657.451,302 2.108,303 60.2,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 94.5,315 684,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.113,322 2.612,323 14.979,324 3.59,325 4.645,326 3.897,327 7.138,328 4.349,329 3.353,330 3.972,331 2.491,332 12.443,333 3.337,334 4.242,335 3.777,336 6.296,337 3.738,338 2.763,339 3.911,340 1.36,341 9.188,342 2.704,343 4.105,344 3.553,345 5.943,346 3.704,347 2.699,348 3.497,349 1.058,350 8.263,351 2.691,352 3.769,353 3.157,354 5.712,355 3.383,356 2.456,357 3.209,358 1.058,359 7.484,360 2.329,361 3.631,362 3.053,363 5.46,364 3.355,365 2.375,366 3.04,367 0.8,368 6.944,369 2.278,370 3.461,371 2.764,372 5.337,373 3.167,374 2.176,375 2.494,376 0.759,377 6.11,378 2.144,379 3.377,380 2.745,381 5.058,382 3.075,383 2.096,384 2.458,385 0.473,386 5.753,387 2.037,388 3.144,389 2.376,390 4.678,391 2.736,392 1.757,393 2.195,394 0.359,395 4.572,396 1.712,397 3.021,398 2.154,399 4.58,400 2.622,401 1.651,402 2.14,404 4.091,405 1.584,406 3.005,407 2.009,408 4.516,409 2.519,410 1.536,411 2.107,413 4.052,414 1.506,415 2.598,416 1.702,417 3.802,418 2.351,419 1.351,420 1.6,422 2.969,423 1.346,424 2.503,425 1.632,426 3.774,427 2.154,428 1.168,429 1.5,431 2.77,432 1.147,433 2.5,434 1.461,435 3.679,436 2.063,437 1.068,438 1.5,440 2.634,441 1.059,442 2.5,443 1.264,444 3.587,445 2,446 1,447 1.475,449 2.372,450 1,451 20,452 0.465,453 1.136,454 0.026,455 49.75,456 1.157,457 22.5,458 0.523,459 27.25,460 0.634,461 48.278,462 1.123,463 48.4,464 0.59,465 48.759,466 1.134,467 10.074,468 0.234,469 10.549,470 0.245,471 0.183,472 0.025,473 0.315,479 0.589,480 1.34,481 0.811,482 1.157,483 0.512,484 1.042,485 0.642,486 1.039,487 0.832,488 0.943,489 0.444,490 0.917,491 0.767,492 1.135,493 0.903,494 1.109,495 0.662,496 1.033,497 1.151,498 1.065,499 1.065,500 1.098,501 1.171,502 1.078,503 1.132,504 1.113,505 1.088,506 1.076,507 1.095,508 1.08,509 0.726,510 1.125,511 0.998,512 1.115,513 0.658,514 1.106,515 1.003,516 0.934,517 1.028,518 0.92,519 0.956,520 0.962,521 0.864,522 0.993,523 0.957,524 1.037,525 0.968,526 1.022,527 9,528 0.305,529 6.222,530 4.063,531 3.16,532 2.347,533 1.232,534 0.781,535 0.662,536 0.349,537 31658,538 90583,539 1.987,540 47.6,541 1,542 23,545 3,547 10,548 2,550 1.816,551 1.823,552 3.841,553 0.733,559 128.069,560 1.562,561 3.654,562 4.79,563 5.269,564 5.467,565 5.491,566 3.292,567 5.008,568 5.401,569 4.116,570 3717.09,571 9.548,572 69815.9,577 521.319,578 1.634,579 5.33,580 0.196,581 0.007,582 0.096,583 0.053,584 0.039,585 0.031,586 0.019,587 0.015,588 0.013,589 0.007,590 0.475,591 0.33,592 0.63,593 1.072,594 249.895,595 0.07,596 -0.057,597 0.044,598 -0.006,599 -0.004,600 0.007,601 0.128,602 0.116,603 0.082,604 0.127,605 0.151,606 0.104,607 -0.044,608 -0.018,609 0.009,610 -0.037,611 0.008,612 -0.002,613 -0.083,614 -0.031,615 -0.09,616 -0.071,617 -0.074,618 -0.085,619 -0.115,620 -0.11,621 -0.106,622 -0.072,623 -0.094,624 -0.089,625 0.056,626 -0.132,627 -0.033,628 -0.133,629 0.062,630 -0.105,631 -0.106,632 -0.002,633 -0.025,634 0.017,635 -0.088,636 0.016,637 0.04,638 -0.049,639 0.037,640 -0.073,641 -0.049,642 -0.032,643 2.485,644 6.595,645 0.558,646 55.03,647 1.006,648 1.132,649 2.72,650 7.397,651 0.643,652 3.85,653 4.19,654 4.5,655 4.754,656 4.984,657 5.069,658 5.124,659 5.153,660 5.147,661 5.011,662 9.432,663 0.614,664 589.76,665 3.85,666 5.407,667 6.275,668 7.171,669 8.063,670 8.969,671 9.87,672 10.78,673 11.685,674 12.597,675 6.1,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 82,716 19,717 2,718 46,720 85,721 32,722 12,723 3,724 9,725 6,730 4,731 4,736 2,737 1,739 1,740 2,741 1,743 3,745 19,746 13,747 1,750 7,752 1,755 5,759 7,764 39,765 10,766 3,767 11,773 5,777 1,778 6,793 4,805 2,808 1,810 2,811 2,814 1,815 1,819 4,823 4,827 43,833 7,834 3,835 1,837 1,838 1,839 1,847 7.3,850 3,852 1,853 2,854 23.583,855 15.733,856 9.722,857 4.917,858 2.627,859 1.318,860 0.939,861 10.646,862 10.879,863 4.094,864 4.635,865 5.13,866 5.597,867 6.053,868 6.265,869 6.552,870 6.827,871 7.029,872 6.812,873 1,874 77,875 16.077,877 6.937,878 7.959,879 30.15,881 24.715,883 2.459,884 105.75,888 423.76,889 175.856,890 62.827,892 137.182,895 175.856,896 560.941,897 62.827,898 42.6,899 52.048,900 103.297,901 97.549,902 29.623,904 423.76,905 50.747,906 423.76,907 238.682,908 137.182,911 282.506,912 227.688,913 50.747,915 90.833,916 136.665,917 11.184,919 423.76,920 200.008,921 175.856,924 423.76,925 53.64,926 131.01,927 54.032,928 137.182,929 423.76,930 200.008,931 175.856,933 0.582,934 0.359,935 0.195,936 0.107,937 28,938 15,939 0.129,940 11,942 1,943 4.929,944 437.154,946 24,947 219.329,951 32.243,952 14.197,953 6.946,955 194.338,956 15.711,961 1.508,963 54.032,964 799.624,965 59,967 -0.485,970 61.787,974 1.139,975 82.494,976 92.806,977 0.246,978 0.575,979 0.753,980 0.829,981 0.86,982 0.864,983 5.361,984 2.096,985 6.293,986 6.11,987 4.875,988 5.323,989 3.49,990 7.191,991 4.838,992 6.573,993 1.757,994 7.918,995 5.753,996 4.635,997 5.223,998 3.058,999 8.523,1000 4.602,1001 7.906,1002 1.651,1003 9.663,1004 4.572,1005 6.572,1006 7.451,1007 4.819,1008 11.653,1009 6.514,1010 9.277,1011 1.536,1012 11.486,1013 4.091,1014 7.194,1015 8.149,1016 5.149,1017 13.897,1018 7.149,1019 10.684,1020 1.351,1021 13.364,1022 4.052,1023 8.643,1024 9.89,1025 6.502,1026 16.662,1027 8.583,1028 12.117,1029 1.168,1030 15.282,1031 2.969,1032 9.635,1033 10.934,1034 7.134,1035 19.209,1036 9.587,1037 13.569,1038 1.068,1039 17.231,1040 2.77,1041 10.931,1042 12.486,1043 8.299,1044 21.9,1045 10.876,1046 3.6,1047 1,1048 19.203,1049 2.634,1050 12.078,1051 13.694,1052 9.072,1053 24.543,1054 12.03,1055 3.353,1056 14.979,1057 21.194,1058 2.372,1059 13.334,1060 15.163,1061 10.14,1062 27.226,1063 13.282,1064 2.763,1065 12.443,1066 23.2,1067 4.113,1068 14.545,1069 16.453,1070 10.987,1071 29.9,1072 14.496,1073 2.699,1074 9.188,1075 25.217,1076 3.972,1077 15.795,1078 17.882,1079 12.003,1080 32.587,1081 15.744,1082 2.456,1083 8.263,1084 27.243,1085 3.911,1086 17.033,1087 19.216,1088 12.891,1089 35.274,1090 16.982,1091 2.375,1092 7.484,1093 29.276,1094 3.497,1095 18.286,1096 20.626,1097 13.877,1098 37.967,1099 18.234,1100 2.176,1101 6.944,1102 31.316,1103 3.209,1104 19.538,1105 21.985,1106 14.789,1107 40.661,1108 19.484,1109 30719,1110 52197,1111 29.531,1112 52.699,1113 68.864,1114 72.544,1115 73.97,1116 68.079,1117 68.21,1118 85.286,1119 21.941,1120 202.078,1121 66.877,1122 5.705,1123 6.2,1124 7.745,1125 5.64,1126 5.6,1127 7.113,1128 4.612,1129 22.771,1130 5.59,1131 27.699,1132 1.497,1133 1.577,1134 1.608,1135 1.48,1136 1.483,1137 1.854,1138 0.477,1139 4.393,1140 1.454,1141 4.072,1142 4.101,1143 4.025,1144 3.98,1145 7.815,1146 3.984,1147 3.995,1148 4.026,1149 3.931,1150 3.918,1151 7.434,1152 3.916,1153 3.873,1154 3.904,1155 3.838,1156 3.719,1157 7.429,1158 3.735,1159 3.766,1160 3.823,1161 3.659,1162 3.633,1163 7.426,1164 3.631,1165 3.628,1166 3.682,1167 3.54,1168 3.453,1169 6.999,1170 3.459,1171 3.521,1172 3.577,1173 3.44,1174 3.334,1175 4.764,1176 3.344,1177 3.464,1178 3.49,1179 3.41,1180 3.108,1181 4.719,1182 3.157,1183 3.401,1184 3.451,1185 3.28,1186 3.083,1187 4.53,1188 3.138,1189 0.102,1190 0.091,1191 0.173,1192 0.1,1193 0.078,1194 4.705,1195 0.089,1196 4.2,1197 0.057,1198 7.943,1199 0.326,1200 4.599,1201 0.078,1202 3.6,1203 4.113,1204 2.612,1205 14.979,1206 3.59,1207 1.997,1208 1.975,1209 2.108,1210 2.118,1211 1.452,1212 2.103,1213 1.977,1214 1.949,1215 2.083,1216 2.089,1217 1.311,1218 2.094,1219 1.798,1220 1.766,1221 1.953,1222 1.993,1223 1.2,1224 1.958,1225 1.754,1226 1.7,1227 1.906,1228 1.914,1229 1.016,1230 1.925,1231 1.592,1232 1.535,1233 1.826,1234 1.797,1235 1.001,1236 1.804,1237 1.46,1238 1.411,1239 1.706,1240 1.71,1241 0.825,1242 1.708,1243 1.309,1244 1.235,1245 1.642,1246 1.632,1247 0.783,1248 1.605,1249 1.272,1250 1.203,1251 1.597,1252 1.619,1253 0.674,1254 1.573,1255 4.533,1257 5.866,1259 7.414,1261 9.063,1263 10.771,1265 6.51,1271 4.62,1272 8.829,1273 5.194,1275 -0.7,1276 2.29,1277 -0.653,1280 50.351,1281 128.069,1282 299.614,1283 392.751,1284 432.035,1285 448.3,1286 450.3,1287 144.628,1288 8.252,1289 145.59,1290 145.59,1291 24,1292 13.112,1293 4.322,1294 3.807,1295 82.382,1296 246,1297 228,1298 0.159,1299 310.972,1300 566.98,1301 750.532,1302 50860,1304 31.148,1305 0.724,1306 0.583,1307 31.148,1308 25.067,1309 20.622,1310 0.448,1311 0.313,1312 14.2,1313 19.694,1314 13.759,1315 11.446,1316 20.622,1317 14.421,1318 18.309,1319 0.282,1320 0.169,1321 18.309,1322 10.954,1323 15.778,1324 0.177,1325 0.095,1326 15.778,1327 8.463,1328 12.877,1329 0.112,1330 0.054,1331 12.877,1332 6.174,1333 10.17,1334 0.07,1335 0.03,1336 10.17,1337 4.402,1338 0.257,1339 130.512,1340 0.184,1341 38.27,1342 0.42,1343 222,1344 696.702,1345 245.052,1346 661.601,1347 875.79,1348 612,1349 265,1350 624.284,1351 287.615,1352 627.856,1353 913.08,1354 586,1355 5.086} {0 CHEMBL147148,1 1.462,2 16.429,3 3.642,4 13.263,5 140.778,6 6.936,7 0.538,8 4.31,9 4.452,10 3.829,11 3.818,12 5.331,13 3.789,14 4.872,15 5.074,16 4.159,17 4.242,18 5.811,19 4.178,20 5.144,21 5.382,22 4.145,23 4.397,24 5.982,25 4.28,26 5.27,27 5.541,28 4.079,29 4.394,30 6.095,31 4.252,32 5.234,33 5.52,34 4.049,35 4.329,36 6.039,37 4.188,38 5.158,39 5.424,40 4.009,41 4.28,42 6.01,43 4.149,44 5.14,45 5.421,46 3.936,47 4.25,48 5.941,49 4.102,50 5.051,51 5.329,52 3.805,53 4.209,54 5.771,55 4.043,56 0.077,57 1.073,58 15.368,59 5.81,60 12.405,61 8.482,62 0.395,63 1.716,64 28.745,65 9.828,66 28.381,67 14.701,68 0.274,69 2.033,70 38.487,71 13.802,72 32.965,73 20.559,74 0.432,75 2.127,76 45.36,77 15.001,78 56.647,79 22.729,80 0.449,81 2.015,82 44.182,83 14.587,84 49.244,85 22.142,86 0.422,87 1.905,88 40.587,89 13.265,90 50.8,91 19.991,92 0.524,93 1.86,94 40.184,95 13.204,96 51.887,97 20.035,98 0.319,99 1.739,100 36.015,101 12.603,102 31.674,103 19.132,104 5,105 53,106 0.229,107 0.564,108 0.74,109 0.821,110 0.846,111 0.846,112 3.588,113 0.954,114 -5.05,115 -4.94,116 -4.63,119 39.7,121 4,122 1,124 1,125 4,140 8,141 2,142 2,149 1,150 1,157 1,158 2,164 1,169 11,171 3,172 6,174 2,176 5,178 10,182 6,186 5,189 7,193 11,197 3,199 5,202 1,203 12,206 1,208 2,211 5,215 6,218 1,222 6,225 1,226 4,229 3,233 9,236 1,237 4,242 2,244 8,249 4,254 2,256 5,259 2397,260 24.154,261 24.154,262 24.154,263 24.154,264 24.154,265 21.585,266 28.825,267 14.491,268 24.637,269 19.287,270 19.287,271 19.287,272 19.287,273 19.287,274 15.45,275 31.53,276 6.936,277 20.046,278 4.625,279 2.489,280 1.361,281 0.85,282 0.688,283 0.688,284 4.297,289 1,290 1275,291 3.873,294 196.881,295 378.719,298 169.077,302 2.62,303 19.612,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.5,315 575,316 4.568,317 3.674,318 6.566,319 4.099,320 3.118,321 4.518,322 1.701,323 10.431,324 3.062,325 4.129,326 3.196,327 6.095,328 3.786,329 2.83,330 3.731,331 0.8,332 8.884,333 2.699,334 4.037,335 2.898,336 5.965,337 3.689,338 2.753,339 3.489,340 0.563,341 8.402,342 2.578,343 3.774,344 2.866,345 5.485,346 3.576,347 2.617,348 3.012,349 0.075,350 7.366,351 2.517,352 3.601,353 2.571,354 5.297,355 3.358,356 2.4,357 2.813,359 6.791,360 2.294,361 3.43,362 2.417,363 5.134,364 3.107,365 2.13,366 2.63,368 6.119,369 2.07,370 3.252,371 2.183,372 5.07,373 2.988,374 2.013,375 2.587,377 5.981,378 1.953,379 3.176,380 1.868,381 4.514,382 2.73,383 1.776,384 2.201,386 4.655,387 1.69,388 2.881,389 1.794,390 4.134,391 2.467,392 1.49,393 2.022,395 3.485,396 1.454,397 2.742,398 1.519,399 3.88,400 2.315,401 1.329,402 1.847,404 3.288,405 1.31,406 2.5,407 1.364,408 3.514,409 2.114,410 1.142,411 1.5,413 2.645,414 1.105,415 2.434,416 1.155,417 3.45,418 2.008,419 1.03,420 1.408,422 2.441,423 1,424 2.349,425 1.077,426 3.414,427 2,428 1,429 1.269,431 2.275,432 0.998,433 2.233,434 1,435 3.314,436 1.984,437 1,438 1.157,440 2.136,441 0.983,442 2.118,443 0.931,444 3.247,445 1.856,446 0.891,447 1,449 2.09,450 0.858,451 16.633,452 0.475,453 0.691,454 0.02,455 43.5,456 1.243,457 20,458 0.571,459 23.5,460 0.671,461 32.329,462 0.924,463 37.967,464 0.558,465 31.629,466 0.904,467 8.416,468 0.24,469 8.737,470 0.25,471 0.05,473 0.283,479 0.815,480 1.472,481 0.848,482 1.168,483 0.547,484 1.032,485 0.87,486 1.024,487 0.981,488 0.968,489 0.535,490 0.976,491 0.913,492 1.149,493 1.053,494 1.158,495 0.761,496 1.127,497 1.14,498 1.015,499 1.042,500 1.025,501 1.212,502 1.027,503 0.979,504 0.909,505 0.908,506 0.93,507 1.067,508 0.917,509 1.234,510 1.019,511 1.033,512 1.013,513 1.491,514 1.01,515 0.985,516 0.866,517 0.994,518 0.922,519 1.13,520 0.959,521 0.746,522 0.961,523 1.059,524 1.07,525 0.575,526 1.092,527 6,528 0.14,529 3.556,530 1.444,531 1.557,532 0.931,533 0.648,534 0.367,535 0.176,536 0.201,537 23371,538 54774,539 2.158,540 48.5,541 2,542 19,543 1,544 2,545 2,547 7,550 1.759,551 2.079,552 3.971,553 0.162,559 99.449,560 1.462,561 3.599,562 4.727,563 5.238,564 5.4,565 5.4,566 3.397,567 4.786,568 5.102,569 4.19,570 2492.82,571 8.909,572 42949.4,577 413.947,578 1.15,579 5.086,580 0.154,581 0.005,582 0.067,583 0.029,584 0.035,585 0.021,586 0.015,587 0.009,588 0.005,589 0.006,590 0.347,591 0.17,592 0.75,593 0.383,594 195.991,595 0.049,596 -0.213,597 0.076,598 -0.078,599 0.063,600 -0.013,601 0.117,602 0.14,603 -0.019,604 0.047,605 0.111,606 0.006,607 -0.073,608 -0.121,609 -0.097,610 -0.126,611 0.018,612 -0.115,613 -0.106,614 -0.068,615 -0.051,616 -0.039,617 -0.046,618 -0.039,619 0.021,620 0.011,621 0.087,622 0.046,623 0.033,624 0.071,625 -0.088,626 -0.069,627 -0.034,628 -0.032,629 -0.097,630 -0.03,631 0.032,632 0.073,633 0.002,634 0.05,635 -0.062,636 0.022,637 -0.041,639 -0.097,640 -0.068,641 -0.068,642 -0.084,643 1.704,644 5.48,645 0.743,646 45.899,647 0.993,648 1.134,649 3.815,650 14.555,651 0.653,652 3.689,653 3.989,654 4.248,655 4.477,656 4.644,657 4.691,658 4.828,659 4.949,660 4.97,661 5.011,662 9.627,663 0.613,664 471.67,665 3.689,666 5.22,667 6.061,668 6.921,669 7.775,670 8.639,671 9.499,672 10.366,673 11.231,674 12.1,675 10.3,678 1,682 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 22,717 2,718 39,720 72,721 27,722 16,723 4,724 8,730 5,731 6,735 1,740 2,741 1,743 4,745 17,746 10,747 1,750 1,755 1,759 1,764 33,765 6,766 2,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,815 1,819 4,823 1,827 35,833 8,834 1,837 1,838 2,844 1,847 1.5,850 1,854 16.833,855 12.167,856 7.694,857 4.208,858 3.475,859 1.419,860 1.002,861 7.576,862 11.772,863 3.942,864 4.5,865 5.061,866 5.622,867 6.05,868 6.364,869 6.804,870 7.223,871 7.39,872 7.6,873 0.909,874 50,875 12.945,877 5.44,878 7.538,879 25.45,881 21.219,883 2.038,884 71.333,888 364.904,889 146.744,890 76.27,892 25.145,895 146.744,896 390.049,897 76.27,898 8.396,899 39.696,900 84.857,901 99.25,902 33.081,903 18.191,904 329.591,906 364.904,907 223.014,908 25.145,911 282.506,912 107.543,915 78.742,916 110.946,917 33.326,919 364.904,920 101.415,921 146.744,924 364.904,925 36.253,926 118.639,927 34.796,928 58.471,929 364.904,930 101.415,931 146.744,933 0.576,934 0.334,935 0.176,936 0.091,937 25,938 10,939 0.111,940 8,941 1,942 1.077,943 4.887,944 314.956,945 0.077,946 26,947 167.525,951 23.741,952 11.169,953 5.991,954 2.435,955 82.73,956 21.645,957 7.827,958 3.406,961 3.271,962 1.934,963 34.796,964 613.063,965 50.5,970 12.48,974 -0.037,975 67.527,976 77.095,977 0.24,978 0.591,979 0.776,980 0.86,981 0.887,982 0.887,983 5.166,984 1.776,985 6.019,986 5.981,987 4.673,988 5.187,989 2.001,990 6.781,991 4.599,992 6.337,993 1.49,994 7.544,995 4.655,996 4.111,997 4.832,998 1.404,999 7.564,1000 3.992,1001 7.616,1002 1.329,1003 9.167,1004 3.485,1005 6.221,1006 7.329,1007 2.548,1008 10.647,1009 6.072,1010 8.932,1011 1.142,1012 10.851,1013 3.288,1014 6.524,1015 7.91,1016 2.498,1017 12.292,1018 6.33,1019 10.283,1020 1.03,1021 12.573,1022 2.645,1023 8.039,1024 9.816,1025 3.397,1026 14.86,1027 7.823,1028 11.661,1029 1,1030 14.323,1031 2.441,1032 8.744,1033 10.856,1034 3.613,1035 16.871,1036 8.49,1037 13.059,1038 1,1039 16.092,1040 2.275,1041 10.014,1042 12.519,1043 4.36,1044 19.267,1045 9.739,1046 3.118,1047 0.891,1048 17.876,1049 2.136,1050 10.917,1051 13.793,1052 4.718,1053 21.445,1054 10.612,1055 2.83,1056 10.431,1057 19.672,1058 2.09,1059 12.082,1060 15.353,1061 5.373,1062 23.784,1063 11.759,1064 2.753,1065 8.884,1066 21.478,1067 4.518,1068 13.084,1069 16.744,1070 5.808,1071 26.041,1072 12.738,1073 2.617,1074 8.402,1075 23.292,1076 3.731,1077 14.207,1078 18.264,1079 6.409,1080 28.365,1081 13.845,1082 2.4,1083 7.366,1084 25.113,1085 3.489,1086 15.259,1087 19.711,1088 6.887,1089 30.66,1090 14.88,1091 2.13,1092 6.791,1093 26.94,1094 3.012,1095 16.368,1096 21.217,1097 7.458,1098 32.984,1099 15.974,1100 2.013,1101 6.119,1102 28.772,1103 2.813,1104 17.448,1105 22.693,1106 7.96,1107 35.298,1108 17.04,1109 21458,1110 33037,1111 26.929,1112 44.393,1113 58.376,1114 58.496,1115 58.263,1116 57.699,1117 57.718,1118 74.117,1119 6.28,1120 160.229,1121 55.639,1122 5.568,1123 5.674,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 2.972,1129 17.095,1130 5.062,1131 11.441,1132 1.497,1133 1.5,1134 1.494,1135 1.479,1136 1.48,1137 1.9,1138 0.161,1139 4.108,1140 1.427,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 7.429,1146 4.07,1147 3.935,1148 3.989,1149 3.856,1150 3.832,1151 5.135,1152 3.83,1153 3.871,1154 3.922,1155 3.79,1156 3.746,1157 4.927,1158 3.741,1159 3.826,1160 3.899,1161 3.758,1162 3.589,1163 4.77,1164 3.626,1165 3.618,1166 3.688,1167 3.516,1168 3.417,1169 4.367,1170 3.425,1171 3.49,1172 3.555,1173 3.359,1174 3.284,1175 4.256,1176 3.306,1177 3.286,1178 3.351,1179 3.18,1180 3.117,1181 4.134,1182 3.124,1183 3.132,1184 3.211,1185 2.99,1186 2.941,1187 3.933,1188 2.912,1189 0.117,1190 0.094,1191 0.168,1192 0.105,1193 0.08,1194 4.568,1195 0.116,1196 3.674,1197 0.044,1198 6.566,1199 0.267,1200 4.099,1201 0.079,1202 3.118,1203 4.518,1204 1.701,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.086,1210 2.066,1211 1.469,1212 2.075,1213 1.893,1214 1.858,1215 2.035,1216 2.044,1217 1.286,1218 2.043,1219 1.866,1220 1.81,1221 2.01,1222 1.99,1223 1.126,1224 1.997,1225 1.677,1226 1.621,1227 1.887,1228 1.852,1229 1.062,1230 1.866,1231 1.49,1232 1.418,1233 1.72,1234 1.752,1235 0.902,1236 1.745,1237 1.401,1238 1.33,1239 1.585,1240 1.659,1241 0.825,1242 1.638,1243 1.311,1244 1.245,1245 1.513,1246 1.518,1247 0.724,1248 1.524,1249 1.153,1250 1.064,1251 1.491,1252 1.442,1253 0.585,1254 1.429,1255 4.369,1257 5.673,1258 3.045,1259 7.159,1260 5.283,1261 8.724,1262 7.286,1263 10.332,1265 1.889,1271 8.568,1272 2.972,1275 0.558,1276 4.385,1280 41.713,1281 99.449,1282 244.7,1283 321.418,1284 356.173,1285 367.193,1286 367.193,1287 51.406,1288 8.298,1289 82.08,1290 82.08,1291 28,1292 12.645,1293 4.524,1294 3.644,1295 52.753,1296 207,1297 187,1298 0.121,1299 255.079,1300 429.65,1301 614.153,1302 60356,1304 24.037,1305 0.687,1306 0.578,1307 24.037,1308 20.229,1309 17.153,1310 0.44,1311 0.318,1312 12.232,1313 16.507,1314 11.962,1315 9.933,1316 17.153,1317 12.401,1318 15.127,1319 0.285,1320 0.179,1321 15.127,1322 9.478,1323 12.929,1324 0.187,1325 0.101,1326 12.929,1327 6.999,1328 10.459,1329 0.12,1330 0.057,1331 10.459,1332 4.964,1333 8.062,1334 0.078,1335 0.034,1336 8.062,1337 3.505,1338 0.2,1339 107.204,1340 0.193,1341 33.391,1342 0.303,1343 184,1344 464.627,1345 199.619,1346 457.201,1347 634.97,1348 430,1349 214,1350 478.718,1351 230.953,1352 487.48,1353 703.7,1354 457,1355 8.229} {0 CHEMBL147206,1 1.548,2 10.091,3 0.435,4 0.189,5 85.442,6 6.873,7 0.417,8 3.883,9 4.024,10 3.375,11 3.338,12 4.911,13 3.323,14 4.445,15 4.642,16 3.693,17 3.735,18 5.413,19 3.689,20 4.693,21 4.931,22 3.706,23 3.856,24 5.657,25 3.764,26 4.662,27 4.895,28 3.573,29 3.796,30 5.603,31 3.684,32 4.633,33 4.894,34 3.488,35 3.614,36 5.643,37 3.511,38 4.423,39 4.668,40 3.31,41 3.457,42 5.418,43 3.376,44 4.24,45 4.46,46 3.241,47 3.441,48 5.223,49 3.338,50 4.301,51 4.56,52 3.205,53 3.426,54 5.212,55 3.296,56 0.038,57 0.663,58 10.305,59 3.65,60 7.72,61 5.412,62 0.222,63 1.025,64 19.227,65 6.018,66 19.577,67 9.179,68 0.459,69 1.156,70 25.582,71 8.021,72 41.486,73 12.036,74 0.213,75 1.08,76 24.482,77 8.252,78 33.066,79 12.112,80 0.419,81 0.936,82 24.867,83 7.264,84 50.881,85 10.898,86 0.404,87 0.79,88 20.233,89 5.432,90 39.385,91 8.207,92 0.201,93 0.75,94 15.885,95 5.315,96 23.983,97 7.879,98 0.195,99 0.759,100 17.061,101 5.764,102 24.418,103 8.72,104 7,105 32,106 0.272,107 0.616,108 0.766,109 0.846,110 0.846,111 0.846,112 3.146,113 0.961,114 -1.41,115 -1.49,116 -1.54,119 36.4,121 1,125 6,140 3,141 2,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 4,171 1,172 2,176 4,178 4,180 1,181 2,182 2,184 1,186 4,189 4,191 1,193 1,197 1,199 2,201 1,203 5,206 2,207 1,208 1,210 1,211 1,213 1,215 4,218 1,220 1,224 1,226 2,228 1,229 1,231 1,235 1,237 2,240 2,242 2,254 2,259 640,260 15.215,261 15.215,262 15.215,263 15.215,264 15.215,265 13.955,266 17.055,267 9.256,268 15.569,269 11.825,270 11.825,271 11.825,272 11.825,273 11.825,274 9.786,275 18.427,276 4.321,277 12.365,278 3.912,279 1.947,280 1.09,281 0.636,282 0.636,283 0.636,284 3.83,288 1,289 1,290 476,291 3.082,294 52.07,295 132.552,298 91.176,302 1.463,303 20.726,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 48,315 222,316 4.55,317 3.739,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 3.954,326 3.182,327 6.02,328 3.742,329 2.788,330 3.174,331 0.933,332 8.546,333 2.652,334 3.695,335 2.746,336 5.315,337 3.309,338 2.367,339 3.048,340 0.51,341 6.855,342 2.23,343 3.344,344 2.432,345 5.096,346 2.945,347 1.976,348 2.672,349 0.4,350 5.915,351 1.904,352 2.946,353 2.157,354 4.293,355 2.764,356 1.793,357 1.949,359 4.197,360 1.73,361 2.741,362 1.675,363 4.15,364 2.304,365 1.327,366 1.84,368 3.501,369 1.295,370 2.342,371 1.476,372 3.503,373 2.101,374 1.18,375 1.309,377 2.682,378 1.08,379 2.22,380 1.379,381 3.329,382 2.004,383 1.052,384 1.19,386 2.136,387 0.998,388 2,389 1.146,390 3.247,391 1.967,392 1,393 1,395 2.101,396 0.965,397 1.998,398 1.132,399 3.064,400 1.638,401 0.684,402 0.874,404 1.416,405 0.647,406 1.711,407 0.739,408 2.948,409 1.328,410 0.391,411 0.48,413 0.872,414 0.359,415 0.958,416 0.198,417 2.376,418 0.63,419 -0.323,420 -0.379,422 -0.6,423 -0.305,424 0.675,425 -0.131,426 2.137,427 0.296,428 -0.665,429 -0.735,431 -1.497,432 -0.63,433 0.484,434 -0.414,435 2,436 0.246,437 -0.757,438 -0.902,440 -1.623,441 -0.752,442 0.388,443 -0.6,444 1.827,445 0.077,446 -0.91,447 -1,449 -2.347,450 -0.897,451 10.267,452 0.467,453 0.397,454 0.018,455 24.75,456 1.125,457 10,458 0.455,459 14.75,460 0.67,461 17.473,462 0.794,463 25.133,464 0.571,465 17.076,466 0.776,467 5.073,468 0.231,469 5.702,470 0.259,471 0.071,473 0.282,479 0.929,480 1.463,481 0.885,482 1.183,483 0.728,484 1.034,485 1.077,486 1.156,487 1.002,488 1.034,489 0.707,490 0.997,491 0.975,492 0.861,493 0.993,494 0.931,495 0.926,496 0.956,497 1.073,498 1.178,499 1.062,500 1.247,501 1.27,502 1.176,503 1.241,504 0.939,505 0.932,506 0.975,507 1.307,508 0.932,509 1.764,510 0.817,511 1.138,512 0.787,513 1.482,514 0.865,515 1.019,516 1.155,517 1.099,518 1.177,519 0.989,520 1.164,521 0.614,522 1.099,523 0.876,524 1.128,525 0.744,526 1.067,527 3.5,528 0.036,529 2.444,530 1.167,531 0.844,532 0.604,533 0.257,534 0.202,535 0.205,536 0.111,537 5293,538 12600,539 2.097,540 50,542 15,543 1,545 4,547 2,550 1.641,551 2,552 3.32,553 1.87,555 1,559 68.107,560 1.548,561 3.512,562 4.369,563 4.823,564 4.823,565 4.823,566 2.738,567 4.187,568 4.432,569 3.444,570 795.644,571 7.594,572 8945.99,574 1,577 240.215,578 1.241,579 4.407,580 0.146,581 0.003,582 0.076,583 0.038,584 0.032,585 0.026,586 0.013,587 0.011,588 0.011,589 0.007,590 0.364,591 0.17,592 1,593 0.923,594 102.406,595 -0.092,596 -0.137,597 0.042,598 -0.028,599 -0.068,600 0.026,601 -0.085,602 0.018,603 -0.037,604 0.014,605 -0.028,606 0.004,607 0.065,608 0.166,609 -0.015,610 0.073,611 0.028,612 0.03,613 -0.079,614 -0.194,615 -0.101,616 -0.202,617 -0.102,618 -0.161,619 0.061,620 -0.063,621 0.087,622 -0.024,623 0.03,624 0.023,625 -0.236,626 0.111,627 -0.09,628 0.144,629 -0.16,630 0.06,631 -0.045,632 -0.11,633 -0.142,634 -0.125,635 -0.034,636 -0.15,637 0.15,638 -0.135,639 0.067,640 -0.102,641 0.093,642 -0.048,643 1.627,644 5.105,645 0.682,646 17.818,647 1,648 1.14,649 0.18,650 0.033,651 0.631,652 3.219,653 3.497,654 3.761,655 3.989,656 4.159,657 4.143,658 4.22,659 4.277,660 4.248,661 4.277,662 5.917,663 0.597,664 302.42,665 3.219,666 4.727,667 5.565,668 6.422,669 7.279,670 8.143,671 9.007,672 9.875,673 10.744,674 11.614,675 9.1,676 1,677 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 44,716 11,717 1,718 24,720 46,721 16,722 8,723 3,724 3,730 3,731 4,736 1,743 1,745 9,746 7,750 1,755 1,759 1,760 1,761 1,764 22,765 5,766 4,767 6,773 4,777 0.667,778 2,788 1,792 1,793 2,796 1,806 1,812 1,814 1,819 2,827 22,828 1,833 7,834 1,835 1,838 1,847 4.5,850 1,852 1,854 11,855 7.45,856 5,857 2.632,858 2.084,859 1.306,860 0.992,861 4.976,862 8.901,863 3.434,864 3.975,865 4.55,866 5.119,867 5.594,868 5.887,869 6.242,870 6.583,871 6.455,872 6.515,873 0.857,874 31,875 8.16,877 3.416,878 7.697,879 15.801,881 12.927,883 2.197,884 48.333,888 211.88,889 72.982,890 70.818,892 36.145,895 72.982,896 248.025,897 70.818,899 53.677,900 55.487,901 29.85,902 38.787,903 13.915,904 200.109,906 211.88,907 143.8,908 36.145,911 188.338,912 59.687,915 88.473,916 55.327,919 211.88,920 106.963,921 72.982,924 211.88,925 35.506,926 40.6,927 34.796,928 69.042,929 211.88,930 106.963,931 72.982,933 0.564,934 0.333,935 0.183,936 0.099,937 15,938 6,939 0.109,940 5,941 1,942 1.133,943 3.541,944 165.127,945 0.133,946 15,947 94.107,951 15.342,952 7.135,953 3.627,954 2.168,955 90.177,956 7.811,958 3.224,961 1.894,963 67.693,964 391.825,965 30,970 12.105,974 0.04,975 44.014,976 50.149,977 0.284,978 0.643,979 0.8,980 0.883,981 0.883,982 0.883,983 4.649,984 1.052,985 5.517,986 2.682,987 4.174,988 4.659,989 2.366,990 6.29,991 4.093,992 5.813,993 1,994 7.048,995 2.136,996 3.611,997 4.46,998 1.668,999 7.125,1000 3.528,1001 7.103,1002 0.684,1003 8.684,1004 2.101,1005 5.72,1006 6.848,1007 3.313,1008 10.218,1009 5.573,1010 8.435,1011 0.391,1012 10.382,1013 1.416,1014 6.043,1015 7.583,1016 3.285,1017 11.93,1018 5.898,1019 9.807,1020 -0.323,1021 12.123,1022 0.872,1023 7.566,1024 9.427,1025 4.556,1026 14.51,1027 7.369,1028 11.207,1029 -0.665,1030 13.892,1031 -0.6,1032 8.302,1033 10.586,1034 4.852,1035 16.576,1036 8.108,1037 12.628,1038 -0.757,1039 15.681,1040 -1.497,1041 9.58,1042 12.224,1043 5.9,1044 18.985,1045 9.348,1046 3.092,1047 -0.91,1048 17.485,1049 -1.623,1050 10.515,1051 13.576,1052 6.37,1053 21.2,1054 10.281,1055 2.788,1056 10.36,1057 19.301,1058 -2.347,1059 11.689,1060 15.133,1061 7.287,1062 23.552,1063 11.429,1064 2.367,1065 8.546,1066 21.126,1067 4.504,1068 12.717,1069 16.572,1070 7.856,1071 25.831,1072 12.452,1073 1.976,1074 6.855,1075 22.958,1076 3.174,1077 13.851,1078 18.097,1079 8.696,1080 28.165,1081 13.566,1082 1.793,1083 5.915,1084 24.797,1085 3.048,1086 14.924,1087 19.573,1088 9.324,1089 30.473,1090 14.629,1091 1.327,1092 4.197,1093 26.64,1094 2.672,1095 16.043,1096 21.086,1097 10.117,1098 32.803,1099 15.733,1100 1.18,1101 3.501,1102 28.487,1103 1.949,1104 17.137,1105 22.578,1106 10.781,1107 35.124,1108 16.817,1109 5131,1110 8004,1111 16.296,1112 27.784,1113 35.504,1114 36.383,1115 36.357,1116 35.273,1117 35.301,1118 44.081,1119 7.797,1120 97.161,1121 33.808,1122 5.55,1123 5.739,1124 6.348,1125 5.151,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 8.364,1132 1.479,1133 1.516,1134 1.515,1135 1.47,1136 1.471,1137 1.837,1138 0.325,1139 4.048,1140 1.409,1141 4.13,1142 4.162,1143 4.089,1144 4.044,1145 7.427,1146 4.051,1147 3.836,1148 3.906,1149 3.736,1150 3.616,1151 5.036,1152 3.634,1153 3.578,1154 3.636,1155 3.468,1156 3.425,1157 4.957,1158 3.425,1159 3.45,1160 3.512,1161 3.312,1162 3.205,1163 4.563,1164 3.226,1165 3.281,1166 3.345,1167 3.166,1168 3.065,1169 4.38,1170 3.078,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.992,1176 2.91,1177 2.951,1178 3.027,1179 2.821,1180 2.789,1181 3.753,1182 2.787,1183 2.822,1184 2.936,1185 2.631,1186 2.491,1187 3.592,1188 2.509,1189 0.19,1190 0.156,1191 0.273,1192 0.17,1193 0.129,1194 4.55,1195 0.188,1196 3.739,1197 0.086,1198 6.546,1199 0.432,1200 4.076,1201 0.127,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.936,1208 1.918,1209 2.021,1210 2.035,1211 1.251,1212 2.029,1213 1.757,1214 1.688,1215 1.966,1216 1.991,1217 1.224,1218 1.989,1219 1.649,1220 1.59,1221 1.851,1222 1.846,1223 1.017,1224 1.853,1225 1.359,1226 1.316,1227 1.57,1228 1.645,1229 0.825,1230 1.622,1231 1.266,1232 1.182,1233 1.513,1234 1.545,1235 0.728,1236 1.54,1237 1.153,1238 1.064,1239 1.51,1240 1.376,1241 0.555,1242 1.429,1243 0.959,1244 0.907,1245 1.187,1246 1.22,1247 0.324,1248 1.213,1249 0.785,1250 0.703,1251 1.141,1252 1.109,1253 0.238,1254 1.13,1255 3.892,1257 5.176,1258 2.398,1259 6.661,1260 4.727,1261 8.235,1262 6.823,1263 9.856,1269 5.629,1271 4.719,1272 3.23,1273 5.675,1276 1.838,1280 26.256,1281 68.107,1282 154.547,1283 192.241,1284 212.215,1285 212.215,1286 212.215,1287 34.089,1288 6.817,1289 83.38,1290 83.38,1291 17,1292 12.158,1293 3.585,1294 2.807,1295 34.634,1296 78,1297 73,1298 0.217,1299 162.6,1300 274.86,1301 388.505,1302 7923,1304 15.364,1305 0.698,1306 0.573,1307 15.364,1308 12.6,1309 10.775,1310 0.449,1311 0.32,1312 7.559,1313 10.288,1314 7.442,1315 6.125,1316 10.775,1317 7.691,1318 9.182,1319 0.287,1320 0.171,1321 9.182,1322 5.479,1323 7.815,1324 0.186,1325 0.095,1326 7.815,1327 3.985,1328 6.366,1329 0.12,1330 0.052,1331 6.366,1332 2.76,1333 5.046,1334 0.08,1335 0.028,1336 5.046,1337 1.789,1338 0.343,1339 68.019,1340 0.248,1341 21.961,1342 0.584,1343 112,1344 315.094,1345 123.974,1346 299.007,1347 407.38,1348 282,1349 130,1350 294.429,1351 142.364,1352 295.27,1353 432.55,1354 279,1355 7} {0 CHEMBL147454,1 1.187,2 8.737,3 4.255,4 18.108,5 83.085,6 5.743,7 0.5,8 3.838,9 3.994,10 3.173,11 3.371,12 4.723,13 3.287,14 4.412,15 4.643,16 3.508,17 3.783,18 5.179,19 3.667,20 4.669,21 4.918,22 3.509,23 3.945,24 5.433,25 3.778,26 4.82,27 5.126,28 3.38,29 3.932,30 5.479,31 3.721,32 4.67,33 4.976,34 3.244,35 3.78,36 5.296,37 3.567,38 4.496,39 4.779,40 3.226,41 3.667,42 5.178,43 3.485,44 4.466,45 4.741,46 2.948,47 3.588,48 5.168,49 3.37,50 4.475,51 4.826,52 2.723,53 3.403,54 5.025,55 3.134,56 0.063,57 0.628,58 11.271,59 4.445,60 8.359,61 6.647,62 0.116,63 1.007,64 19.097,65 7.395,66 13.18,67 11.123,68 0.139,69 1.232,70 24.109,71 9.554,72 20.802,73 14.247,74 0.166,75 1.292,76 26.742,77 10.357,78 23.123,79 15.569,80 0.16,81 1.108,82 22.944,83 9.086,84 17.986,85 13.48,86 0.121,87 0.978,88 19.75,89 7.477,90 15.496,91 11.358,92 0.149,93 0.948,94 19.445,95 6.779,96 16.861,97 10.612,98 0.116,99 0.824,100 18.071,101 6.748,102 15.541,103 10.299,104 25,105 28,106 0.209,107 0.525,108 0.715,109 0.788,110 0.788,111 0.788,112 3.01,113 1.1,114 -4.66,115 -4.58,116 -4.31,119 37.8,120 4,121 2,123 1,125 2,140 3,141 3,149 1,150 1,169 11,176 5,178 14,186 5,189 13,197 2,199 11,207 1,208 2,211 7,220 5,222 5,231 3,233 2,242 4,244 3,256 4,259 458,260 12.463,261 12.463,262 12.463,263 12.463,264 12.463,265 11.372,266 14.194,267 7.518,268 12.591,269 9.855,270 9.855,271 9.855,272 9.855,273 9.855,274 8.134,275 13.874,276 3.545,277 10.052,278 4.304,279 2.515,280 1.434,281 1.023,282 1.023,283 1.023,284 3.663,288 1,289 1,290 338,291 3.606,294 41.893,295 48.111,298 75.689,302 1.435,303 7.6,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 39,315 166,316 4.606,317 3.552,318 7.123,319 4.34,320 3.341,321 4.517,322 0.4,323 11.737,324 3.337,325 4.302,326 3.107,327 6.517,328 3.999,329 3.012,330 3.585,332 10.22,333 2.974,334 3.405,335 2.252,336 5.136,337 3.052,338 2.067,339 2.729,341 6.04,342 2.035,343 3.035,344 1.923,345 4.64,346 2.668,347 1.711,348 2.213,350 4.854,351 1.638,352 2.782,353 1.651,354 4.143,355 2.615,356 1.639,357 1.824,359 3.564,360 1.594,361 2.641,362 1.307,363 3.708,364 2.247,365 1.258,366 1.678,368 3.171,369 1.244,370 2.227,371 1.081,372 3.292,373 1.992,374 1.022,375 1.172,377 2.031,378 0.989,379 1.958,380 0.746,381 3.028,382 1.61,383 0.652,384 0.842,386 1.417,387 0.623,388 1.242,389 0.242,390 2.805,391 1.1,392 0.131,393 0.142,395 0.227,396 0.126,397 0.804,398 -0.284,399 2.343,400 0.472,401 -0.499,402 -0.584,404 -1.043,405 -0.482,406 0.627,407 -0.655,408 2.169,409 0.209,410 -0.78,411 -0.963,413 -1.815,414 -0.77,415 0.286,416 -0.905,417 2,418 0.04,419 -0.943,420 -1,422 -2.652,423 -0.928,425 -1,426 2,428 -1,429 -1,431 -3,432 -1,434 -1,435 2,437 -1,438 -1.283,440 -3,441 -1,442 -0.074,443 -1.194,444 1.604,445 -0.383,446 -1.361,447 -1.541,449 -3.116,450 -1.326,451 9.3,452 0.489,453 0.566,454 0.03,455 19,456 1,457 8,458 0.421,459 11,460 0.579,461 19.027,462 1.001,463 21.9,464 0.487,465 10.789,466 0.568,467 3.21,468 0.169,469 5.81,470 0.306,471 0.215,472 0.054,473 0.215,479 1.239,480 1.339,481 1.124,482 1.199,483 1.386,484 1.162,485 1.179,486 1.04,487 0.963,488 0.958,489 0.81,490 0.95,491 1.052,492 1.212,493 1.154,494 1.199,495 1.084,496 1.186,497 0.983,498 0.957,499 0.973,500 0.964,501 1.099,502 0.967,503 0.71,504 0.964,505 0.93,506 0.985,507 0.881,508 0.974,509 0.979,510 1.158,511 0.999,512 1.074,513 0.805,514 1.044,515 1.885,516 1.265,517 1.464,518 1.298,519 1.684,520 1.345,521 0.8,522 0.892,523 0.812,524 0.85,525 0.722,526 0.835,527 4.5,528 0.062,529 2.444,530 1.229,531 0.813,532 0.778,533 0.405,534 0.178,535 0.138,536 0.086,537 2991,538 4813,539 1.952,540 57.8,541 12,542 7,543 1,545 2,547 4,550 1.602,551 1.795,552 3.074,553 0.238,555 1,559 53.435,560 1.187,561 2.976,562 4.058,563 4.469,564 4.469,565 4.469,566 2.55,567 3.787,568 4.21,569 3.236,570 553.413,571 7.171,572 5457.43,574 1,576 1,577 247.133,578 1.657,579 4.146,580 0.225,581 0.012,582 0.087,583 0.047,584 0.037,585 0.041,586 0.021,587 0.015,588 0.014,589 0.012,590 0.512,591 0.67,592 1,593 1.933,594 82.797,595 -0.009,596 -0.032,597 0.032,598 0.011,599 -0.189,600 0.022,601 -0.01,602 0.11,603 0.111,604 0.133,605 0.191,606 0.13,607 -0.074,608 -0.123,609 -0.122,610 -0.131,611 -0.033,612 -0.13,613 -0.035,614 0.008,615 -0.003,616 0.008,617 -0.082,618 0.005,619 0.152,620 -0.009,621 0.031,622 -0.008,623 0.013,624 0.002,625 0.05,626 -0.144,627 0.001,628 -0.073,629 0.138,630 -0.045,631 -0.369,632 -0.195,633 -0.423,634 -0.33,635 -0.47,636 -0.371,637 0.099,638 -0.038,639 0.103,640 0.04,641 0.171,642 0.067,643 1.039,644 0.969,645 0.474,646 15.501,647 0.973,648 1.133,649 3.431,650 11.77,651 0.626,652 3.045,653 3.367,654 3.555,655 3.761,656 3.951,657 4.094,658 4.143,659 4.094,660 3.932,661 3.738,662 5.15,663 0.564,664 258.45,665 3.045,666 4.575,667 5.398,668 6.279,669 7.136,670 8.027,671 8.9,672 9.796,673 10.677,674 11.576,675 4.4,677 1,683 1,687 2,688 4,690 1,693 2,695 10,714 45,716 10,717 1,718 20,720 46,721 17,722 8,723 3,724 3,730 2,731 3,736 4,737 1,743 2,745 8,746 9,761 1,764 26,765 1,766 2,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,814 1,819 1,823 4,827 19,833 4,834 1,839 1,854 10.583,855 9.083,856 4.222,857 2.986,858 2.083,859 1.331,860 0.937,861 4.434,862 8.38,863 3.258,864 3.855,865 4.45,866 5.057,867 5.57,868 5.958,869 6.312,870 6.566,871 6.37,872 6.252,873 0.833,874 26,875 7.045,877 2.816,878 7.338,879 14.181,881 11.542,883 1.838,884 34.917,885 0.004,888 282.506,889 93.146,890 34.796,895 93.146,896 282.506,897 34.796,898 35.301,899 9.28,900 55.487,902 25.73,903 13.915,904 270.735,906 282.506,907 127.942,911 235.422,912 47.084,915 79.378,916 48.564,919 282.506,920 34.796,921 93.146,924 282.506,925 20.369,926 72.777,927 34.796,929 282.506,930 34.796,931 93.146,933 0.578,934 0.312,935 0.153,936 0.084,937 13,938 6,939 0.13,940 6,941 1,942 1.222,943 3.097,944 132.009,945 0.222,946 9,947 75.956,951 14.296,952 5.893,953 3.459,954 2.629,955 18.011,956 8.947,958 3.38,961 2.826,963 34.796,964 410.448,965 25,975 43.807,976 50.979,977 0.216,978 0.542,979 0.739,980 0.814,981 0.814,982 0.814,983 4.494,984 0.652,985 5.434,986 2.031,987 4.043,988 4.538,989 0.278,990 6.293,991 4.012,992 5.723,993 0.131,994 7.036,995 1.417,996 3.892,997 4.527,999 7.582,1000 3.879,1001 7.06,1002 -0.499,1003 8.764,1004 0.227,1005 5.746,1006 6.818,1007 0.05,1008 10.568,1009 5.704,1010 8.443,1011 -0.78,1012 10.566,1013 -1.043,1014 6.415,1015 7.65,1017 12.624,1018 6.391,1019 9.864,1020 -0.943,1021 12.414,1022 -1.815,1023 7.821,1024 9.464,1025 0.008,1026 15.224,1027 7.779,1028 11.309,1029 -1,1030 14.292,1031 -2.652,1032 8.811,1033 10.664,1035 17.528,1036 8.779,1037 12.771,1038 -1,1039 16.189,1040 -3,1041 10.068,1042 12.29,1043 0.001,1044 20.016,1045 10.026,1046 3.341,1047 -1.361,1048 18.099,1049 -3,1050 11.179,1051 13.656,1053 22.406,1054 11.141,1055 3.012,1056 11.737,1057 20.018,1058 -3.116,1059 12.386,1060 15.206,1062 24.861,1063 12.343,1064 2.067,1065 10.22,1066 21.945,1067 4.517,1068 13.543,1069 16.647,1071 27.283,1072 13.501,1073 1.711,1074 6.04,1075 23.876,1076 3.585,1077 14.735,1078 18.168,1080 29.73,1081 14.691,1082 1.639,1083 4.854,1084 25.812,1085 2.729,1086 15.911,1087 19.643,1089 32.168,1090 15.867,1091 1.258,1092 3.564,1093 27.75,1094 2.213,1095 17.1,1096 21.153,1098 34.615,1099 17.055,1100 1.022,1101 3.171,1102 29.692,1103 1.824,1104 18.285,1105 22.644,1107 37.059,1108 18.239,1109 3142,1110 4065,1111 12.712,1112 28.148,1113 29.913,1114 29.78,1115 30.387,1116 29.607,1117 29.664,1118 37.403,1119 0.8,1120 86.521,1121 29.121,1122 5.487,1123 5.552,1124 7.059,1125 5.346,1126 5.341,1127 7.517,1128 0.8,1129 18.778,1130 5.337,1131 10.611,1132 1.496,1133 1.489,1134 1.519,1135 1.48,1136 1.483,1137 1.87,1138 0.04,1139 4.326,1140 1.456,1141 4.143,1142 4.176,1143 4.099,1144 4.069,1145 4.962,1146 4.072,1147 3.737,1148 3.798,1149 3.618,1150 3.629,1151 4.41,1152 3.619,1153 3.669,1154 3.749,1155 3.504,1156 3.492,1157 4.314,1158 3.482,1159 3.412,1160 3.49,1161 3.228,1162 3.279,1163 4.055,1164 3.258,1165 3.207,1166 3.289,1167 3.039,1168 3.019,1169 3.931,1170 3.014,1171 2.953,1172 3.053,1173 2.789,1174 2.77,1175 3.718,1176 2.765,1177 2.874,1178 3.009,1179 2.552,1180 2.618,1181 3.467,1182 2.576,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.23,1190 0.178,1191 0.356,1192 0.217,1193 0.167,1194 4.606,1195 0.226,1196 3.552,1197 0.02,1198 7.123,1199 0.587,1200 4.34,1201 0.167,1202 3.341,1203 4.517,1204 0.4,1205 11.737,1206 3.337,1207 1.99,1208 1.967,1209 2.1,1210 2.064,1211 1.326,1212 2.077,1213 1.715,1214 1.653,1215 1.958,1216 1.915,1217 1.21,1218 1.933,1219 1.623,1220 1.562,1221 1.862,1222 1.793,1223 1.103,1224 1.813,1225 1.571,1226 1.504,1227 1.797,1228 1.756,1229 0.944,1230 1.782,1231 1.246,1232 1.157,1233 1.515,1234 1.504,1235 0.604,1236 1.521,1237 0.954,1238 0.869,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.322,1252 1.223,1253 0.455,1254 1.263,1255 3.714,1257 5.03,1258 2.398,1259 6.535,1260 4.727,1261 8.132,1262 6.823,1263 9.782,1265 9.004,1271 4.45,1272 3.469,1277 0.211,1280 25.364,1281 53.435,1282 133.94,1283 182.604,1284 201.094,1285 201.094,1286 201.094,1287 27.312,1288 6.297,1289 27.82,1290 27.82,1291 11,1292 12.102,1293 3.459,1294 2.585,1295 33.737,1296 56,1297 74,1298 0.3,1299 160.932,1300 267.58,1301 384.435,1302 3651,1304 13.88,1305 0.731,1306 0.665,1307 13.88,1308 12.638,1309 9.02,1310 0.451,1311 0.367,1312 7.291,1313 8.876,1314 6.904,1315 5.901,1316 9.02,1317 7.333,1318 8.487,1319 0.303,1320 0.226,1321 8.487,1322 6.324,1323 6.215,1324 0.183,1325 0.107,1326 6.215,1327 3.631,1328 4.824,1329 0.115,1330 0.057,1331 4.824,1332 2.377,1333 3.713,1334 0.073,1335 0.031,1336 3.713,1337 1.589,1338 0.463,1339 55.075,1340 0.28,1341 19.076,1342 0.839,1343 96,1344 172.666,1345 99.108,1346 178.373,1347 253.72,1348 168,1349 110,1350 194.099,1351 113.331,1352 204.666,1353 295.25,1354 191,1355 8.208} {0 CHEMBL147503,1 1.475,2 14.647,3 3.748,4 14.046,5 137.192,6 7.04,7 0.486,8 4.254,9 4.387,10 3.769,11 3.781,12 5.354,13 3.753,14 4.777,15 4.966,16 4.116,17 4.171,18 5.817,19 4.124,20 5.016,21 5.209,22 4.225,23 4.374,24 6.053,25 4.296,26 5.175,27 5.404,28 4.175,29 4.413,30 6.167,31 4.298,32 5.202,33 5.456,34 4.098,35 4.364,36 6.144,37 4.24,38 5.088,39 5.336,40 3.981,41 4.265,42 6.017,43 4.134,44 5.015,45 5.285,46 3.947,47 4.149,48 5.971,49 4.027,50 4.908,51 5.152,52 3.9,53 4.021,54 6.01,55 3.942,56 0.058,57 0.959,58 14.212,59 5.716,60 13.159,61 7.921,62 0.297,63 1.507,64 25.839,65 9.306,66 30.737,67 13.181,68 0.311,69 1.871,70 32.75,71 12.352,72 37.889,73 17.418,74 0.301,75 2.035,76 39.715,77 15.014,78 55.312,79 21.306,80 0.465,81 1.999,82 42.275,83 14.869,84 62.941,85 21.395,86 0.441,87 1.809,88 37.352,89 13.284,90 51.913,91 19.187,92 0.376,93 1.658,94 35.144,95 12.356,96 50.328,97 18.186,98 0.372,99 1.473,100 31.859,101 10.023,102 63.772,103 14.359,104 41,105 52,106 0.234,107 0.568,108 0.728,109 0.819,110 0.847,111 0.847,112 3.56,113 0.919,114 -4.23,115 -4.17,116 -3.94,119 41.5,120 1,124 2,125 4,140 10,141 5,142 3,156 2,161 1,162 1,163 1,169 15,172 3,174 1,175 1,176 5,177 1,178 19,180 1,181 2,182 5,186 7,189 18,191 2,193 5,195 1,197 6,199 15,201 2,203 3,206 1,208 5,211 15,213 2,214 2,215 3,220 3,222 11,224 1,225 1,226 6,229 1,231 6,233 5,235 2,237 7,242 7,244 3,246 2,248 1,249 5,254 3,256 5,258 1,259 2128,260 22.748,261 22.748,262 22.748,263 22.748,264 22.748,265 20.375,266 28.109,267 13.143,268 23.227,269 18.142,270 18.142,271 18.142,272 18.142,273 18.142,274 14.421,275 39.56,276 6.113,277 18.793,278 4.547,279 2.441,280 1.431,281 0.858,282 0.681,283 0.681,284 4.253,289 1,290 1066,291 3.606,295 501.167,302 2.277,303 26.86,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 72.5,315 498,316 4.422,317 3.574,318 6.521,319 4.051,320 3.064,321 4.11,322 1.058,323 10.27,324 3.046,325 4.355,326 3.299,327 6.474,328 4.005,329 3.044,330 3.965,331 0.86,332 10.03,333 2.907,334 4.153,335 3.115,336 6.048,337 3.799,338 2.802,339 3.7,340 0.8,341 8.677,342 2.783,343 3.946,344 2.82,345 5.899,346 3.593,347 2.613,348 3.332,349 0.8,350 8.12,351 2.562,352 3.631,353 2.779,354 5.354,355 3.399,356 2.462,357 2.93,358 0.6,359 6.885,360 2.308,361 3.464,362 2.42,363 5.213,364 3.176,365 2.223,366 2.664,368 6.419,369 2.109,370 3.354,371 2.399,372 5.022,373 2.954,374 1.981,375 2.527,377 5.616,378 1.94,379 3.101,380 2.27,381 4.923,382 2.869,383 1.939,384 2.181,386 5.584,387 1.78,388 2.844,389 1.842,390 4.154,391 2.394,392 1.387,393 1.947,395 3.61,396 1.392,397 2.794,398 1.547,399 3.984,400 2.256,401 1.278,402 1.824,404 3.114,405 1.245,406 2.541,407 1.335,408 3.881,409 2.109,410 1.136,411 1.5,413 3.017,414 1.103,415 2.5,416 1.185,417 3.77,418 2.003,419 1.021,420 1.491,422 2.703,423 1,424 2.468,425 1.146,426 3.414,427 2,428 1,429 1.459,431 2.275,432 0.999,433 2,434 1.095,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 1.797,443 1,444 3.021,445 1.514,446 0.626,447 0.707,449 1.106,450 0.549,451 16.167,452 0.475,453 0.907,454 0.027,455 44.25,456 1.301,457 22.5,458 0.662,459 21.75,460 0.64,461 29.228,462 0.86,463 36.633,464 0.564,465 37.286,466 1.097,467 9.076,468 0.267,469 7.275,470 0.214,471 0.163,473 0.359,479 0.908,480 1.301,481 0.863,482 1.078,483 0.816,484 0.974,485 1.067,486 0.948,487 0.877,488 0.83,489 0.538,490 0.823,491 0.966,492 1.087,493 1.056,494 1.095,495 0.828,496 1.083,497 0.925,498 1.126,499 1.028,500 1.161,501 0.952,502 1.12,503 1.107,504 0.939,505 0.998,506 0.96,507 1.052,508 0.969,509 0.998,510 1.011,511 1.062,512 1.051,513 0.952,514 1.067,515 0.693,516 0.977,517 0.809,518 0.963,519 0.697,520 0.907,521 1.645,522 0.987,523 1.007,524 0.905,525 1.788,526 0.883,527 7.5,528 0.194,529 4.667,530 2.375,531 2.071,532 1.236,533 0.928,534 0.698,535 0.348,536 0.239,537 17989,538 43340,539 2.042,540 47.7,541 3,542 24,545 4,550 1.756,551 1.889,552 3.793,553 1.487,559 95.882,560 1.475,561 3.581,562 4.592,563 5.164,564 5.341,565 5.341,566 3.248,567 4.617,568 5.058,569 3.995,570 2241.26,571 8.847,572 35583.9,577 391.454,578 1.484,579 5.006,580 0.203,581 0.006,582 0.09,583 0.042,584 0.041,585 0.026,586 0.023,587 0.017,588 0.009,589 0.008,590 0.465,591 0.17,592 1,593 0.832,594 185.175,595 -0.059,596 -0.086,597 0.041,598 -0.01,599 -0.109,600 0.025,601 -0.027,602 0.18,603 0.082,604 0.179,605 0.115,606 0.151,607 -0.04,608 0.014,609 -0.112,610 -0.071,611 0.003,612 -0.094,613 -0.022,614 -0.131,615 -0.068,616 -0.14,617 -0.007,618 -0.115,619 -0.053,620 0.014,621 -0.005,622 0.029,623 -0.059,624 0.02,625 -0.002,626 -0.039,627 -0.08,628 -0.058,629 -0.081,630 -0.077,631 0.194,632 -0.036,633 0.178,634 0.021,635 0.175,636 0.09,637 -0.158,638 -0.018,639 0.032,640 0.043,641 -0.055,642 0.061,643 1.829,644 5.933,645 0.706,646 40.893,647 0.995,648 1.128,649 2.997,650 8.982,651 0.659,652 3.638,653 3.97,654 4.234,655 4.454,656 4.7,657 4.762,658 4.898,659 4.927,660 4.949,661 5.081,662 8.433,663 0.621,664 457.63,665 3.638,666 5.187,667 6.038,668 6.913,669 7.779,670 8.655,671 9.527,672 10.404,673 11.278,674 12.156,675 7.7,676 1,678 1,681 1,682 1,684 1,688 10,693 8,695 18,702 1,709 1,712 1,714 65,716 20,717 3,718 37,720 68,721 27,722 18,723 8,724 10,725 2,730 4,731 4,736 1,745 20,746 7,750 2,754 1,755 1,759 2,764 31,765 7,766 4,767 7,773 5,774 1,777 1,778 2,793 4,812 1,815 1,819 4,823 3,827 34,828 1,833 4,834 1,835 1,838 2,847 3.1,850 1,852 1,854 18,855 12.4,856 7.5,857 3.678,858 3.433,859 1.43,860 0.99,861 7.322,862 11.415,863 3.892,864 4.472,865 5.029,866 5.559,867 6.104,868 6.353,869 6.763,870 6.995,871 7.292,872 7.723,873 0.9,874 56,875 12.551,877 5.254,878 7.696,879 24.111,881 19.609,883 2.196,884 74.667,888 317.82,889 165.007,890 88.829,892 36.145,895 165.007,896 353.965,897 88.829,898 28.105,899 59.331,900 94.762,901 32.177,902 75.605,904 317.82,906 317.82,907 253.836,908 36.145,911 317.82,912 36.145,915 102.952,916 150.884,919 317.82,920 124.973,921 165.007,924 317.82,925 42.14,926 129.116,927 18.011,928 100.714,929 317.82,930 124.973,931 165.007,933 0.586,934 0.346,935 0.178,936 0.1,937 24,938 12,939 0.088,940 6,942 1,943 4.46,944 310.989,946 24,947 162.974,951 23.959,952 10.391,953 5.499,955 124.973,956 18.983,961 6.895,963 82.58,964 607.8,965 48,969 7.599,970 12.933,974 -0.11,975 64.65,976 73.308,977 0.245,978 0.595,979 0.762,980 0.858,981 0.887,982 0.887,983 5.139,984 1.939,985 6.033,986 5.616,987 4.654,988 5.159,989 1.996,990 6.841,991 4.593,992 6.343,993 1.387,994 7.598,995 5.584,996 4.29,997 4.977,998 0.57,999 7.745,1000 4.2,1001 7.649,1002 1.278,1003 9.26,1004 3.61,1005 6.256,1006 7.312,1007 1.755,1008 10.807,1009 6.146,1010 8.987,1011 1.136,1012 10.975,1013 3.114,1014 6.673,1015 7.909,1016 0.479,1017 12.506,1018 6.539,1019 10.354,1020 1.021,1021 12.726,1022 3.017,1023 8.124,1024 9.749,1025 1.659,1026 15.086,1027 7.973,1028 11.742,1029 1,1030 14.5,1031 2.703,1032 8.895,1033 10.711,1034 0.346,1035 17.121,1036 8.724,1037 13.145,1038 1,1039 16.29,1040 2.275,1041 10.137,1042 12.334,1043 1.633,1044 19.529,1045 9.95,1046 3.064,1047 0.626,1048 18.094,1049 2.275,1050 11.077,1051 13.485,1052 0.237,1053 21.714,1054 10.872,1055 3.044,1056 10.27,1057 19.907,1058 1.106,1059 12.232,1060 14.998,1061 1.648,1062 24.058,1063 12.011,1064 2.802,1065 10.03,1066 21.728,1067 4.11,1068 13.255,1069 16.253,1070 0.158,1071 26.311,1072 13.015,1073 2.613,1074 8.677,1075 23.556,1076 3.965,1077 14.374,1078 17.71,1079 1.69,1080 28.632,1081 14.118,1082 2.462,1083 8.12,1084 25.389,1085 3.7,1086 15.437,1087 19.024,1088 0.104,1089 30.917,1090 15.163,1091 2.223,1092 6.885,1093 27.226,1094 3.332,1095 16.544,1096 20.45,1097 1.75,1098 33.231,1099 16.254,1100 1.981,1101 6.419,1102 29.068,1103 2.93,1104 17.627,1105 21.798,1106 0.068,1107 35.531,1108 17.319,1109 17237,1110 26899,1111 24.274,1112 42.836,1113 55.821,1114 56.659,1115 57.856,1116 55.152,1117 55.151,1118 70.674,1119 8.237,1120 159.406,1121 53.373,1122 5.422,1123 5.574,1124 6.062,1125 5.118,1126 5.064,1127 7.11,1128 2.117,1129 17.043,1130 5.046,1131 19.82,1132 1.509,1133 1.531,1134 1.564,1135 1.491,1136 1.491,1137 1.91,1138 0.223,1139 4.308,1140 1.443,1141 4.052,1142 4.079,1143 4.003,1144 3.996,1145 7.429,1146 3.994,1147 3.958,1148 3.994,1149 3.906,1150 3.858,1151 5.88,1152 3.866,1153 3.817,1154 3.855,1155 3.758,1156 3.739,1157 4.871,1158 3.739,1159 3.733,1160 3.79,1161 3.622,1162 3.556,1163 4.813,1164 3.563,1165 3.417,1166 3.485,1167 3.352,1168 3.218,1169 4.761,1170 3.241,1171 3.319,1172 3.38,1173 3.213,1174 3.075,1175 4.53,1176 3.097,1177 3.207,1178 3.303,1179 3.021,1180 2.962,1181 4.415,1182 2.955,1183 3.157,1184 3.229,1185 2.999,1186 2.941,1187 4.345,1188 2.94,1189 0.12,1190 0.097,1191 0.176,1192 0.109,1193 0.083,1194 4.422,1195 0.111,1196 3.574,1197 0.029,1198 6.521,1199 0.278,1200 4.051,1201 0.082,1202 3.064,1203 4.11,1204 1.058,1205 10.27,1206 3.046,1207 2.014,1208 1.995,1209 2.101,1210 2.086,1211 1.305,1212 2.089,1213 1.917,1214 1.888,1215 2.034,1216 2.058,1217 1.242,1218 2.057,1219 1.802,1220 1.775,1221 1.927,1222 1.931,1223 1.058,1224 1.931,1225 1.703,1226 1.635,1227 1.885,1228 1.869,1229 1,1230 1.876,1231 1.338,1232 1.28,1233 1.582,1234 1.601,1235 0.825,1236 1.589,1237 1.24,1238 1.179,1239 1.573,1240 1.541,1241 0.641,1242 1.546,1243 1.174,1244 1.083,1245 1.54,1246 1.47,1247 0.619,1248 1.495,1249 1.153,1250 1.065,1251 1.513,1252 1.383,1253 0.576,1254 1.429,1255 4.317,1257 5.645,1259 7.169,1261 8.777,1263 10.427,1265 5.785,1269 5.588,1271 3.809,1272 3.019,1273 5.569,1276 4.598,1280 40.385,1281 95.882,1282 232.774,1283 298.46,1284 335.679,1285 347.189,1286 347.189,1287 61.896,1288 7.982,1289 94.68,1290 94.68,1291 24,1292 12.694,1293 4.392,1294 3.585,1295 57.238,1296 174,1297 164,1298 0.159,1299 249.953,1300 437.06,1301 601.645,1302 35807,1304 24.242,1305 0.713,1306 0.585,1307 24.242,1308 19.89,1309 16.351,1310 0.442,1311 0.306,1312 11.183,1313 15.779,1314 10.795,1315 9.015,1316 16.351,1317 11.338,1318 14.877,1319 0.286,1320 0.166,1321 14.877,1322 8.652,1323 12.498,1324 0.184,1325 0.092,1326 12.498,1327 6.276,1328 9.999,1329 0.118,1330 0.05,1331 9.999,1332 4.222,1333 8.211,1334 0.075,1335 0.027,1336 8.211,1337 2.987,1338 0.257,1339 102.054,1340 0.203,1341 31.925,1342 0.416,1343 178,1344 468.739,1345 191.419,1346 461.992,1347 634.74,1348 432,1349 209,1350 467.985,1351 222.92,1352 483.089,1353 700.12,1354 451,1355 8.523} {0 CHEMBL147546,1 1.435,2 17.865,3 3.257,4 10.607,5 150.789,6 6.753,7 0.512,8 4.385,9 4.528,10 3.878,11 3.892,12 5.383,13 3.856,14 4.956,15 5.164,16 4.211,17 4.311,18 5.868,19 4.244,20 5.225,21 5.463,22 4.193,23 4.485,24 6.044,25 4.363,26 5.349,27 5.618,28 4.135,29 4.534,30 6.095,31 4.367,32 5.39,33 5.69,34 4.062,35 4.472,36 6.096,37 4.288,38 5.271,39 5.571,40 4.012,41 4.365,42 5.977,43 4.206,44 5.147,45 5.416,46 3.997,47 4.329,48 5.891,49 4.177,50 5.18,51 5.463,52 3.883,53 4.297,54 5.906,55 4.125,56 0.091,57 1.149,58 17.171,59 6.473,60 13.186,61 9.546,62 0.347,63 1.844,64 31.887,65 10.734,66 29.162,67 16.347,68 0.38,69 2.202,70 42.296,71 14.756,72 40.715,73 22.181,74 0.342,75 2.352,76 48.01,77 17.828,78 40.994,79 26.7,80 0.392,81 2.293,82 50.984,83 18.195,84 50.021,85 27.602,86 0.444,87 2.084,88 45.573,89 15.038,90 42.675,91 23.334,92 0.345,93 1.954,94 39.33,95 14.097,96 31.858,97 21.314,98 0.379,99 1.934,100 41.218,101 14.023,102 38.793,103 21.498,104 12,105 56,106 0.221,107 0.55,108 0.753,109 0.829,110 0.846,111 0.846,112 3.641,113 0.973,114 -5.03,115 -4.93,116 -4.62,119 39.2,120 1,121 5,124 1,125 4,127 1,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 10,171 2,172 9,174 1,176 6,178 12,182 4,186 5,189 9,192 1,193 10,197 2,199 9,203 10,206 1,208 1,211 8,215 7,218 1,222 8,226 6,229 3,233 7,236 1,237 6,242 2,244 3,248 1,249 4,254 2,256 4,259 2911,260 25.308,261 25.308,262 25.308,263 25.308,264 25.308,265 22.69,266 34.803,267 15.075,268 25.78,269 20.263,270 20.263,271 20.263,272 20.263,273 20.263,274 16.342,275 44.532,276 7.193,277 21.022,278 4.774,279 2.645,280 1.327,281 0.835,282 0.723,283 0.723,284 4.349,289 1,290 1455,291 4.062,294 213.302,295 404.309,298 183.863,302 2.972,303 19.124,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 78.5,315 661,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.197,327 6.095,328 3.779,329 2.831,330 3.731,331 0.8,332 8.884,333 2.692,334 4.062,335 3.081,336 6.031,337 3.689,338 2.752,339 3.648,340 0.8,341 8.597,342 2.62,343 3.823,344 2.885,345 5.532,346 3.661,347 2.68,348 2.913,349 0.149,350 7.513,351 2.577,352 3.63,353 2.798,354 5.317,355 3.357,356 2.417,357 2.817,359 6.873,360 2.312,361 3.451,362 2.707,363 5.198,364 3.273,365 2.3,366 2.798,368 6.569,369 2.191,370 3.375,371 2.335,372 5.126,373 3.012,374 2.032,375 2.593,377 6.001,378 1.984,379 3.259,380 2.185,381 4.514,382 2.874,383 1.853,384 2.456,386 4.655,387 1.879,388 3.245,389 1.795,390 4.402,391 2.731,392 1.777,393 2.379,395 4.519,396 1.691,397 2.745,398 1.638,399 4.18,400 2.455,401 1.488,402 1.85,404 3.808,405 1.435,406 2.527,407 1.355,408 4.129,409 2.282,410 1.304,411 1.528,413 3.468,414 1.274,415 2.5,416 1.145,417 3.463,418 2.066,419 1.102,420 1.5,422 2.497,423 1.06,424 2.41,425 1.077,426 3.414,427 2,428 1,429 1.379,431 2.275,432 1,433 2.233,434 1,435 3.414,436 1.984,437 1,438 1.172,440 2.275,441 0.983,442 2.118,443 0.932,444 3.316,445 1.857,446 0.892,447 1,449 2.091,450 0.859,451 17.633,452 0.477,453 0.797,454 0.022,455 44.5,456 1.203,457 20,458 0.541,459 24.5,460 0.662,461 36.477,462 0.986,463 40.567,464 0.548,465 32.439,466 0.877,467 8.586,468 0.232,469 9.461,470 0.256,471 0.076,473 0.295,479 0.815,480 1.475,481 0.879,482 1.189,483 0.568,484 1.061,485 0.985,486 1.091,487 0.974,488 0.977,489 0.531,490 0.965,491 1.146,492 1.048,493 1.133,494 1.066,495 1.002,496 1.093,497 0.64,498 1.063,499 1.021,500 1.152,501 0.469,502 1.132,503 0.632,504 0.981,505 0.866,506 1.011,507 0.653,508 0.975,509 0.865,510 0.855,511 0.894,512 0.855,513 0.669,514 0.871,515 0.631,516 1.039,517 0.986,518 1.098,519 0.471,520 1.082,521 0.898,522 1.014,523 1.072,524 1.074,525 0.842,526 1.088,527 7,528 0.17,529 4,530 1.507,531 1.428,532 1.167,533 0.708,534 0.308,535 0.258,536 0.281,537 27549,538 64112,539 2.133,540 50,541 2,542 19,543 1,544 2,545 2,546 3,547 4,548 4,550 1.772,551 2.037,552 4.079,553 0.135,559 106.217,560 1.435,561 3.565,562 4.883,563 5.375,564 5.486,565 5.486,566 3.517,567 4.757,568 5.179,569 4.316,570 2874.72,571 9.062,572 52587.7,577 459.5,578 1.241,579 5.159,580 0.171,581 0.005,582 0.071,583 0.028,584 0.03,585 0.027,586 0.016,587 0.007,588 0.007,589 0.009,590 0.371,591 0.17,592 0.75,593 0.716,594 211.933,595 0.06,596 -0.201,597 0.075,598 -0.073,599 0.056,600 -0.011,601 0.024,602 0.074,603 0.009,604 0.047,605 0.12,606 0.032,607 -0.184,608 0.008,609 -0.158,610 -0.041,611 -0.093,612 -0.088,613 0.012,614 -0.092,615 -0.072,616 -0.119,617 0.06,618 -0.107,619 0.085,620 -0.09,621 0.097,622 -0.01,623 0.079,624 0.035,625 -0.014,626 0.073,627 0.088,628 0.112,629 0.016,630 0.113,631 0.076,632 -0.049,633 -0.027,634 -0.084,635 0.011,636 -0.071,637 -0.058,638 -0.056,639 -0.098,640 -0.086,641 -0.095,642 -0.096,643 1.699,644 4.192,645 0.703,646 53.703,647 0.99,648 1.134,649 3.803,650 14.462,651 0.648,652 3.738,653 4.043,654 4.29,655 4.522,656 4.691,657 4.779,658 4.905,659 4.99,660 5.037,661 5.124,662 10.402,663 0.605,664 499.73,665 3.738,666 5.273,667 6.111,668 6.973,669 7.825,670 8.69,671 9.549,672 10.417,673 11.281,674 12.15,675 9.5,678 2,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 74,716 22,717 2,718 41,720 78,721 29,722 16,723 5,724 7,730 5,731 6,736 1,740 3,743 6,745 17,746 12,750 1,755 1,759 1,764 37,765 6,766 2,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,815 2,819 4,823 2,827 37,833 9,834 1,837 1,838 2,844 1,847 1.4,850 1,854 18.167,855 13.583,856 8.111,857 4.627,858 3.692,859 1.434,860 0.993,861 8.347,862 12.199,863 3.98,864 4.543,865 5.089,866 5.662,867 6.103,868 6.438,869 6.866,870 7.259,871 7.421,872 7.643,873 0.917,874 53,875 13.673,877 5.698,878 7.514,879 27.041,881 22.519,883 2.014,884 74.5,888 411.989,889 152.242,890 76.27,892 25.145,895 152.242,896 437.133,897 76.27,898 17.222,899 39.106,900 75.381,901 103.955,902 39.391,903 13.915,904 376.675,906 411.989,907 228.512,908 25.145,911 317.82,912 119.314,915 90.102,916 105.084,917 33.326,919 411.989,920 101.415,921 152.242,924 411.989,925 42.402,926 117.988,927 34.796,928 58.471,929 411.989,930 101.415,931 152.242,933 0.577,934 0.327,935 0.173,936 0.089,937 26,938 11,939 0.128,940 10,941 1,942 1.077,943 5.062,944 335.991,945 0.077,946 26,947 180.75,951 25.654,952 12.039,953 6.667,954 2.468,955 82.73,956 20.299,957 7.852,958 3.425,961 4.638,962 1.946,963 34.796,964 665.645,965 52.5,970 11.192,974 -0.032,975 73.294,976 83.926,977 0.231,978 0.574,979 0.786,980 0.866,981 0.884,982 0.884,983 5.211,984 1.853,985 6.075,986 6.001,987 4.727,988 5.231,989 2.194,990 6.838,991 4.658,992 6.387,993 1.777,994 7.602,995 4.655,996 4.205,997 4.934,998 1.738,999 7.636,1000 4.098,1001 7.671,1002 1.488,1003 9.226,1004 4.519,1005 6.279,1006 7.377,1007 2.953,1008 10.697,1009 6.138,1010 8.989,1011 1.304,1012 10.907,1013 3.808,1014 6.594,1015 7.982,1016 3.061,1017 12.348,1018 6.413,1019 10.341,1020 1.102,1021 12.627,1022 3.468,1023 8.094,1024 9.861,1025 4.047,1026 14.903,1027 7.888,1028 11.717,1029 1,1030 14.374,1031 2.497,1032 8.8,1033 10.909,1034 4.414,1035 16.917,1036 8.557,1037 13.113,1038 1,1039 16.141,1040 2.275,1041 10.062,1042 12.559,1043 5.252,1044 19.303,1045 9.798,1046 3.118,1047 0.892,1048 17.923,1049 2.275,1050 10.963,1051 13.833,1052 5.75,1053 21.482,1054 10.669,1055 2.831,1056 10.431,1057 19.717,1058 2.091,1059 12.124,1060 15.387,1061 6.502,1062 23.814,1063 11.811,1064 2.752,1065 8.884,1066 21.521,1067 4.518,1068 13.123,1069 16.775,1070 7.068,1071 26.07,1072 12.787,1073 2.68,1074 8.597,1075 23.334,1076 3.731,1077 14.242,1078 18.291,1079 7.771,1080 28.389,1081 13.889,1082 2.417,1083 7.513,1084 25.153,1085 3.648,1086 15.292,1087 19.735,1088 8.374,1089 30.682,1090 14.92,1091 2.3,1092 6.873,1093 26.979,1094 2.913,1095 16.398,1096 21.238,1097 9.051,1098 33.002,1099 16.011,1100 2.032,1101 6.569,1102 28.81,1103 2.817,1104 17.476,1105 22.711,1106 9.674,1107 35.315,1108 17.073,1109 25539,1110 39166,1111 28.027,1112 47.915,1113 61.376,1114 61.188,1115 61.536,1116 60.634,1117 60.668,1118 77.286,1119 7.312,1120 169.191,1121 58.609,1122 5.568,1123 5.533,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 15.354,1132 1.497,1133 1.492,1134 1.501,1135 1.479,1136 1.48,1137 1.885,1138 0.178,1139 4.127,1140 1.429,1141 4.155,1142 4.194,1143 4.114,1144 4.063,1145 7.43,1146 4.071,1147 3.965,1148 4.011,1149 3.891,1150 3.88,1151 5.135,1152 3.878,1153 3.872,1154 3.93,1155 3.791,1156 3.722,1157 4.927,1158 3.723,1159 3.825,1160 3.899,1161 3.757,1162 3.587,1163 4.748,1164 3.625,1165 3.607,1166 3.68,1167 3.486,1168 3.418,1169 4.395,1170 3.423,1171 3.527,1172 3.581,1173 3.409,1174 3.337,1175 4.259,1176 3.347,1177 3.421,1178 3.492,1179 3.282,1180 3.232,1181 4.147,1182 3.237,1183 3.269,1184 3.339,1185 3.141,1186 3.109,1187 3.982,1188 3.108,1189 0.111,1190 0.086,1191 0.16,1192 0.1,1193 0.076,1194 4.568,1195 0.11,1196 3.533,1197 0.047,1198 6.566,1199 0.254,1200 4.099,1201 0.075,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.085,1210 2.071,1211 1.443,1212 2.08,1213 1.934,1214 1.902,1215 2.046,1216 2.048,1217 1.287,1218 2.047,1219 1.85,1220 1.789,1221 2.02,1222 2.007,1223 1.225,1224 2.015,1225 1.673,1226 1.616,1227 1.882,1228 1.85,1229 1.118,1230 1.864,1231 1.518,1232 1.454,1233 1.757,1234 1.753,1235 0.936,1236 1.755,1237 1.426,1238 1.36,1239 1.687,1240 1.68,1241 0.825,1242 1.676,1243 1.394,1244 1.325,1245 1.58,1246 1.638,1247 0.761,1248 1.629,1249 1.299,1250 1.232,1251 1.513,1252 1.495,1253 0.71,1254 1.51,1255 4.419,1257 5.727,1258 3.045,1259 7.212,1260 5.283,1261 8.777,1262 7.286,1263 10.387,1265 3.798,1271 10.279,1272 2.83,1275 0.652,1276 5.154,1280 44.767,1281 106.217,1282 263.777,1283 361.319,1284 397.725,1285 405.99,1286 405.99,1287 54.799,1288 8.507,1289 82.08,1290 82.08,1291 28,1292 12.695,1293 4.524,1294 3.644,1295 57.411,1296 235,1297 227,1298 0.115,1299 274.264,1300 464.25,1301 660.963,1302 79534,1304 25.614,1305 0.692,1306 0.591,1307 25.614,1308 21.859,1309 18.047,1310 0.44,1311 0.324,1312 13.121,1313 17.376,1314 12.773,1315 10.598,1316 18.047,1317 13.291,1318 16.162,1319 0.289,1320 0.182,1321 16.162,1322 10.198,1323 13.354,1324 0.185,1325 0.106,1326 13.354,1327 7.596,1328 10.967,1329 0.121,1330 0.059,1331 10.967,1332 5.391,1333 8.369,1334 0.077,1335 0.034,1336 8.369,1337 3.717,1338 0.193,1339 112.568,1340 0.189,1341 35.099,1342 0.286,1343 194,1344 476.627,1345 209.453,1346 469.514,1347 651.56,1348 442,1349 225,1350 489.366,1351 240.955,1352 498.798,1353 717.12,1354 468,1355 8.244} {0 CHEMBL147555,1 1.574,2 16.528,3 3.341,4 11.164,5 146.706,6 7.239,7 0.525,8 4.339,9 4.465,10 4.005,11 3.894,12 5.312,13 3.837,14 4.924,15 5.115,16 4.282,17 4.311,18 5.983,19 4.24,20 5.189,21 5.407,22 4.265,23 4.48,24 6.105,25 4.357,26 5.323,27 5.581,28 4.171,29 4.509,30 6.163,31 4.348,32 5.336,33 5.629,34 4.046,35 4.433,36 6.066,37 4.249,38 5.202,39 5.496,40 4.022,41 4.328,42 5.898,43 4.163,44 5.096,45 5.349,46 4.033,47 4.282,48 5.933,49 4.127,50 5.125,51 5.41,52 3.946,53 4.248,54 5.873,55 4.069,56 0.106,57 1.105,58 18.451,59 6.913,60 18.276,61 9.043,62 0.394,63 1.796,64 33.217,65 11.363,66 55.705,67 15.528,68 0.352,69 2.145,70 42.563,71 15.478,72 54.898,73 21.368,74 0.401,75 2.31,76 49.352,77 17.874,78 60.037,79 25.387,80 0.41,81 2.221,82 50.07,83 17.94,84 57.496,85 26.264,86 0.4,87 2.017,88 45.743,89 15.151,90 40.058,91 22.46,92 0.432,93 1.88,94 38.601,95 13.744,96 48.518,97 19.776,98 0.411,99 1.873,100 44.553,101 14.317,102 46.419,103 20.255,104 18,105 57,106 0.245,107 0.561,108 0.768,109 0.822,110 0.834,111 0.834,112 3.615,113 1.082,114 -4.97,115 -4.88,116 -4.57,119 38.6,121 4,124 2,125 4,127 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 3,172 8,176 3,178 10,182 9,186 3,189 7,192 1,193 12,197 1,199 7,203 8,206 1,211 8,215 6,218 1,222 7,225 2,226 6,229 2,233 2,236 1,237 6,242 2,244 3,249 5,256 5,259 2584,260 24.212,261 24.212,262 24.212,263 24.212,264 24.212,265 21.499,266 31.439,267 14.109,268 24.897,269 19.754,270 19.754,271 19.754,272 19.754,273 19.754,274 15.631,275 40.654,276 6.702,277 20.9,278 4.555,279 2.52,280 1.185,281 0.843,282 0.764,283 0.764,284 4.319,289 1,290 1310,291 4.183,294 204.504,295 385.47,298 175.898,302 2.691,303 27.645,306 0.75,307 0.83,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 77,315 595,316 4.801,317 5.18,318 7.111,319 4.179,320 3.314,321 4.66,322 2.95,323 11.657,324 3.062,325 4.568,326 3.197,327 6.566,328 4.099,329 3.118,330 4.518,331 0.916,332 10.431,333 2.85,334 4.129,335 3.138,336 6.095,337 3.801,338 2.854,339 3.731,340 0.8,341 8.884,342 2.694,343 3.964,344 2.886,345 6.06,346 3.689,347 2.752,348 3.443,349 0.172,350 8.728,351 2.577,352 3.735,353 2.818,354 5.381,355 3.467,356 2.506,357 2.818,359 7.09,360 2.412,361 3.447,362 2.673,363 5.268,364 3.249,365 2.304,366 2.797,368 6.693,369 2.161,370 3.366,371 2.414,372 5.126,373 3.009,374 2.031,375 2.593,377 6,378 1.98,379 3.246,380 2.184,381 4.595,382 2.731,383 1.777,384 2.421,386 4.746,387 1.691,388 3.079,389 1.795,390 4.514,391 2.616,392 1.644,393 2.245,395 4.655,396 1.588,397 2.744,398 1.547,399 4.136,400 2.35,401 1.37,402 1.849,404 3.516,405 1.34,406 2.5,407 1.348,408 4.055,409 2.215,410 1.252,411 1.5,413 3.354,414 1.201,415 2.454,416 1.14,417 3.457,418 2.032,419 1.073,420 1.444,422 2.467,423 1.026,424 2.367,425 1.077,426 3.414,427 2,428 1,429 1.333,431 2.275,432 1,433 2.201,434 1,435 3.414,436 1.984,437 1,438 1.139,440 2.275,441 0.983,442 2.118,443 0.95,444 3.314,445 1.851,446 0.886,447 1,449 2.085,450 0.853,451 17.4,452 0.483,453 0.98,454 0.027,455 44.75,456 1.243,457 21,458 0.583,459 23.75,460 0.66,461 34.794,462 0.966,463 39.6,464 0.566,465 33.499,466 0.931,467 8.388,468 0.233,469 8.976,470 0.249,471 0.096,472 0.048,473 0.27,479 0.602,480 1.447,481 0.866,482 1.242,483 0.617,484 1.044,485 0.941,486 1.034,487 1.028,488 0.985,489 0.532,490 0.926,491 1.059,492 1.086,493 1.046,494 1.068,495 0.948,496 1.113,497 0.79,498 1.034,499 0.953,500 1.054,501 0.692,502 1.113,503 0.603,504 0.943,505 0.734,506 0.888,507 0.585,508 0.972,509 0.574,510 0.886,511 0.791,512 0.86,513 0.321,514 0.879,515 0.705,516 1.098,517 0.89,518 1.025,519 0.719,520 1.12,521 0.813,522 0.899,523 1.058,524 0.989,525 0.545,526 0.969,527 8,528 0.17,529 4.667,530 1.882,531 1.508,532 1.264,533 0.566,534 0.461,535 0.332,536 0.258,537 24760,538 63676,539 2.113,540 48.6,541 2,542 22,543 1,544 2,545 1,547 2,548 4,550 1.766,551 1.991,552 3.964,553 -0.355,559 110.184,560 1.574,561 3.609,562 4.944,563 5.286,564 5.365,565 5.365,566 3.399,567 4.649,568 5.142,569 4.219,570 2658.05,571 8.987,572 46715.1,577 429.05,578 1.463,579 5.103,580 0.2,581 0.005,582 0.082,583 0.035,584 0.031,585 0.03,586 0.013,587 0.012,588 0.009,589 0.008,590 0.426,591 0.17,592 0.75,593 0.639,594 203.284,595 0.143,596 -0.183,597 0.195,598 -0.067,599 -0.075,600 0.001,601 0.05,602 0.124,603 -0.022,604 0.05,605 0.252,606 0.059,607 -0.145,608 -0.051,609 -0.136,610 -0.076,611 -0.031,612 -0.112,613 -0.035,614 -0.08,615 -0.086,616 -0.103,617 0.017,618 -0.109,619 0.056,620 -0.065,621 0.083,622 0.012,623 0.012,624 0.03,625 0.054,626 0.041,627 0.104,628 0.069,629 0.055,630 0.117,631 0.097,632 -0.123,633 -0.034,634 -0.098,635 -0.022,636 -0.132,637 -0.034,638 0.066,639 -0.024,640 0.008,641 0.019,642 0.022,643 4.062,644 4.68,645 0.722,646 47.654,647 0.996,648 1.131,649 3.743,650 14.007,651 0.661,652 3.714,653 4.06,654 4.304,655 4.522,656 4.691,657 4.812,658 4.92,659 5.017,660 5.063,661 5.112,662 9.823,663 0.616,664 506.74,665 3.714,666 5.273,667 6.12,668 6.999,669 7.859,670 8.738,671 9.603,672 10.483,673 11.352,674 12.232,675 8.6,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 70,716 23,717 2,718 40,720 74,721 27,722 16,723 5,724 7,730 5,731 6,740 3,743 5,745 16,746 11,750 2,753 1,755 2,764 34,765 6,766 1,767 9,768 1,773 6,777 0.8,778 2,788 1,792 2,793 3,796 1,815 2,819 4,821 1,823 2,827 36,829 1,833 8,837 1,838 2,844 1,847 2.9,850 2,854 18.083,855 12.917,856 7.694,857 4.225,858 3.79,859 1.447,860 1.004,861 7.471,862 12.262,863 3.98,864 4.605,865 5.137,866 5.696,867 6.138,868 6.518,869 6.919,870 7.268,871 7.444,872 7.652,873 0.909,874 54,875 13.478,877 5.887,878 7.632,879 26.24,881 22.369,883 2.132,884 76.75,888 388.446,889 148.208,890 58.259,892 44.313,894 6.046,895 142.162,896 432.759,897 58.259,898 15.587,899 18.561,900 81.427,901 118.418,902 38.185,903 13.915,904 353.133,906 388.446,907 200.421,908 44.313,909 6.046,911 317.82,912 114.94,915 60.731,916 106.364,917 39.372,919 388.446,920 102.572,921 148.208,923 6.046,924 388.446,925 33.957,926 116.353,927 16.786,928 77.639,929 388.446,930 102.572,931 148.208,933 0.591,934 0.337,935 0.17,936 0.085,937 28,938 12,939 0.122,940 9,941 1,942 1.077,943 4.871,944 331.327,945 0.077,946 26,947 169.362,950 1,951 25.007,952 10.756,953 6.022,954 2.433,955 83.888,956 19.295,957 7.829,958 3.408,961 3.964,962 1.933,963 16.786,964 639.226,965 52.5,968 -3.146,970 23.36,975 69.712,976 79.141,977 0.257,978 0.589,979 0.807,980 0.862,981 0.875,982 0.875,983 5.232,984 1.777,985 6.129,986 6,987 4.745,988 5.293,989 3.038,990 6.952,991 4.637,992 6.455,993 1.644,994 7.703,995 4.746,996 4.443,997 5.293,998 0.57,999 8.032,1000 4.202,1001 7.79,1002 1.37,1003 9.385,1004 4.655,1005 6.395,1006 7.582,1007 5.036,1008 11.035,1009 6.154,1010 9.167,1011 1.252,1012 11.134,1013 3.516,1014 6.919,1015 8.455,1016 0.581,1017 12.94,1018 6.529,1019 10.582,1020 1.073,1021 12.927,1022 3.354,1023 8.357,1024 10.244,1025 7.185,1026 15.513,1027 7.957,1028 12.025,1029 1,1030 14.75,1031 2.467,1032 9.234,1033 11.487,1034 0.515,1035 17.729,1036 8.695,1037 13.488,1038 1,1039 16.595,1040 2.275,1041 10.487,1042 13.102,1043 9.348,1044 20.184,1045 9.914,1046 3.314,1047 0.886,1048 18.458,1049 2.275,1050 11.519,1051 14.504,1052 0.441,1053 22.524,1054 10.826,1055 3.118,1056 11.657,1057 20.334,1058 2.085,1059 12.706,1060 16.058,1061 11.511,1062 24.95,1063 11.958,1064 2.854,1065 10.431,1066 22.222,1067 4.66,1068 13.81,1069 17.528,1070 0.373,1071 27.341,1072 12.956,1073 2.752,1074 8.884,1075 24.118,1076 4.518,1077 14.977,1078 19.06,1079 13.675,1080 29.765,1081 14.055,1082 2.506,1083 8.728,1084 26.022,1085 3.731,1086 16.114,1087 20.56,1088 0.314,1089 32.18,1090 15.097,1091 2.304,1092 7.09,1093 27.933,1094 3.443,1095 17.278,1096 22.086,1097 15.838,1098 34.609,1099 16.185,1100 2.031,1101 6.693,1102 29.849,1103 2.818,1104 18.432,1105 23.6,1106 0.264,1107 37.037,1108 17.25,1109 22940,1110 37009,1111 26.929,1112 46.25,1113 60.725,1114 61.993,1115 60.564,1116 60.398,1117 60.251,1118 78.522,1119 9.678,1120 175.522,1121 57.151,1122 5.801,1123 7.18,1124 6.708,1125 5.239,1126 5.314,1127 7.66,1128 5.9,1129 18.537,1130 5.062,1131 17.149,1132 1.518,1133 1.55,1134 1.514,1135 1.51,1136 1.506,1137 1.963,1138 0.242,1139 4.388,1140 1.429,1141 4.158,1142 4.195,1143 4.735,1144 4.102,1145 7.716,1146 4.073,1147 4.078,1148 4.064,1149 4.113,1150 4.054,1151 6.999,1152 3.993,1153 3.892,1154 3.946,1155 3.818,1156 3.744,1157 5.135,1158 3.732,1159 3.827,1160 3.901,1161 3.788,1162 3.624,1163 4.927,1164 3.626,1165 3.696,1166 3.714,1167 3.689,1168 3.582,1169 4.697,1170 3.559,1171 3.542,1172 3.599,1173 3.411,1174 3.392,1175 4.376,1176 3.387,1177 3.359,1178 3.436,1179 3.241,1180 3.168,1181 4.257,1182 3.173,1183 3.248,1184 3.325,1185 3.101,1186 3.063,1187 4.107,1188 3.057,1189 0.12,1190 0.129,1191 0.178,1192 0.104,1193 0.083,1194 4.801,1195 0.117,1196 5.18,1197 0.074,1198 7.111,1199 0.291,1200 4.179,1201 0.077,1202 3.314,1203 4.66,1204 2.95,1205 11.657,1206 3.062,1207 1.99,1208 1.997,1209 2.082,1210 2.078,1211 1.441,1212 2.101,1213 1.961,1214 1.936,1215 2.039,1216 2.051,1217 1.285,1218 2.057,1219 1.851,1220 1.793,1221 1.998,1222 2.009,1223 1.24,1224 2.032,1225 1.675,1226 1.63,1227 1.875,1228 1.844,1229 1.12,1230 1.865,1231 1.587,1232 1.58,1233 1.678,1234 1.736,1235 0.966,1236 1.778,1237 1.415,1238 1.343,1239 1.586,1240 1.663,1241 0.825,1242 1.654,1243 1.363,1244 1.295,1245 1.566,1246 1.588,1247 0.779,1248 1.602,1249 1.253,1250 1.171,1251 1.513,1252 1.474,1253 0.689,1254 1.495,1255 4.394,1257 5.733,1258 3.045,1259 7.249,1260 5.283,1261 8.842,1262 7.286,1263 10.475,1265 3.426,1271 8.696,1275 0.556,1276 4.995,1280 43.12,1281 110.184,1282 252.627,1283 346.114,1284 370.03,1285 375.54,1286 375.54,1287 62.596,1288 8.472,1289 87.12,1290 95.5,1291 28,1292 12.77,1293 4.585,1294 3.755,1295 55.065,1296 217,1297 180,1298 0.121,1299 266.339,1300 448.59,1301 641.628,1302 73704,1304 25.123,1305 0.698,1306 0.605,1307 25.373,1308 21.785,1309 17.364,1310 0.434,1311 0.361,1312 12.533,1313 15.959,1314 12.012,1315 9.955,1316 18.259,1317 14.424,1318 16.387,1319 0.287,1320 0.209,1321 17.775,1322 11.936,1323 13.329,1324 0.183,1325 0.116,1326 14.086,1327 8.481,1328 10.793,1329 0.119,1330 0.064,1331 11.309,1332 5.834,1333 8.072,1334 0.075,1335 0.037,1336 8.44,1337 3.961,1338 0.2,1339 117.43,1340 0.193,1341 34.099,1342 0.303,1343 194,1344 504.89,1345 242.144,1346 515.198,1347 704.96,1348 478,1349 227,1350 501.201,1351 281.959,1352 544.004,1353 779.88,1354 506,1355 7.745} {0 CHEMBL147660,1 1.435,2 17.892,3 3.514,4 12.346,5 150.851,6 6.753,7 0.512,8 4.385,9 4.528,10 3.878,11 3.892,12 5.383,13 3.856,14 4.956,15 5.165,16 4.209,17 4.314,18 5.867,19 4.246,20 5.222,21 5.456,22 4.183,23 4.487,24 6.042,25 4.359,26 5.366,27 5.649,28 4.142,29 4.515,30 6.095,31 4.352,32 5.332,33 5.614,34 4.077,35 4.465,36 6.081,37 4.297,38 5.294,39 5.586,40 4.008,41 4.405,42 5.996,43 4.23,44 5.212,45 5.508,46 3.992,47 4.322,48 5.91,49 4.163,50 5.118,51 5.384,52 3.885,53 4.269,54 5.889,55 4.11,56 0.091,57 1.149,58 17.171,59 6.473,60 13.105,61 9.546,62 0.353,63 1.842,64 31.894,65 10.762,66 29.647,67 16.36,68 0.339,69 2.198,70 41.95,71 15.095,72 39.204,73 22.514,74 0.36,75 2.347,76 49.286,77 17.535,78 43.388,79 26.704,80 0.417,81 2.243,82 47.819,83 17.062,84 47.968,85 25.7,86 0.4,87 2.133,88 46.192,89 16.403,90 42.029,91 24.866,92 0.381,93 1.998,94 42.643,95 14.461,96 34.885,97 22.383,98 0.43,99 1.874,100 38.6,101 12.821,102 39.661,103 19.738,104 12,105 56,106 0.221,107 0.554,108 0.766,109 0.829,110 0.846,111 0.846,112 3.641,113 0.97,114 -5.03,115 -4.93,116 -4.62,119 39.2,120 1,121 4,122 1,124 1,125 5,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 11,171 2,172 8,174 1,176 6,178 10,182 8,186 5,189 7,193 10,197 2,199 8,202 1,203 8,206 1,211 11,215 5,218 2,222 11,226 5,229 2,233 7,236 2,237 7,242 3,244 3,249 3,254 3,256 4,259 2898,260 25.256,261 25.256,262 25.256,263 25.256,264 25.256,265 22.637,266 33.545,267 15.103,268 25.716,269 20.302,270 20.302,271 20.302,272 20.302,273 20.302,274 16.391,275 38.661,276 7.25,277 21.046,278 4.774,279 2.618,280 1.246,281 0.835,282 0.723,283 0.723,284 4.349,289 1,290 1457,291 4.062,294 213.444,295 404.462,298 184.002,302 2.939,303 18.819,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 78.5,315 662,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.196,327 6.095,328 3.725,329 2.758,330 3.731,331 0.916,332 8.884,333 2.679,334 4.07,335 2.997,336 5.628,337 3.689,338 2.75,339 3.652,340 0.8,341 7.802,342 2.584,343 3.728,344 2.89,345 5.511,346 3.627,347 2.657,348 2.924,349 0.172,350 7.458,351 2.572,352 3.629,353 2.849,354 5.326,355 3.398,356 2.447,357 2.813,358 0.149,359 6.942,360 2.338,361 3.438,362 2.579,363 5.16,364 3.205,365 2.235,366 2.683,368 6.452,369 2.146,370 3.361,371 2.307,372 5.119,373 3.015,374 2.035,375 2.591,377 5.998,378 1.988,379 3.251,380 2.182,381 4.611,382 2.917,383 1.922,384 2.479,386 4.948,387 1.904,388 3.218,389 1.975,390 4.514,391 2.731,392 1.776,393 2.298,395 4.655,396 1.692,397 2.858,398 1.794,399 4.375,400 2.681,401 1.711,402 1.882,404 4.417,405 1.644,406 2.739,407 1.365,408 4.133,409 2.31,410 1.325,411 1.834,413 3.48,414 1.304,415 2.5,416 1.157,417 3.471,418 2.087,419 1.122,420 1.5,422 2.531,423 1.08,424 2.426,425 1.077,426 3.414,427 2,428 1,429 1.399,431 2.275,432 1,433 2.254,434 1,435 3.414,436 1.984,437 1,438 1.194,440 2.275,441 0.983,442 2.118,443 0.932,444 3.317,445 1.86,446 0.895,447 1,449 2.097,450 0.862,451 17.633,452 0.477,453 0.814,454 0.022,455 44.5,456 1.203,457 20,458 0.541,459 24.5,460 0.662,461 36.333,462 0.982,463 40.567,464 0.548,465 32.53,466 0.879,467 8.578,468 0.232,469 9.452,470 0.255,471 0.076,473 0.295,479 0.815,480 1.475,481 0.879,482 1.189,483 0.567,484 1.061,485 0.997,486 1.056,487 0.979,488 0.958,489 0.531,490 0.955,491 1.057,492 1.134,493 1.143,494 1.156,495 0.991,496 1.162,497 0.682,498 0.998,499 0.929,500 1.025,501 0.439,502 1.005,503 0.75,504 0.968,505 0.971,506 1.045,507 0.738,508 1.037,509 0.668,510 0.954,511 0.914,512 1.006,513 0.65,514 0.993,515 0.655,516 0.942,517 0.86,518 0.933,519 0.407,520 0.918,521 1.008,522 1.039,523 1.18,524 1.111,525 0.923,526 1.153,527 7.5,528 0.157,529 3.333,530 1.757,531 1.548,532 0.993,533 0.808,534 0.249,535 0.332,536 0.221,537 27609,538 64264,539 2.133,540 50,541 2,542 20,543 1,544 2,545 2,546 3,547 7,550 1.772,551 2.037,552 4.082,553 0.135,559 106.217,560 1.435,561 3.592,562 4.964,563 5.375,564 5.486,565 5.486,566 3.517,567 4.682,568 5.18,569 4.319,570 2876.18,571 9.062,572 52693.9,577 459.5,578 1.241,579 5.159,580 0.183,581 0.005,582 0.06,583 0.034,584 0.032,585 0.022,586 0.019,587 0.006,588 0.009,589 0.006,590 0.376,591 0.17,592 0.75,593 0.716,594 212.023,595 0.06,596 -0.201,597 0.075,598 -0.073,599 0.058,600 -0.011,601 0.011,602 0.11,603 0.004,604 0.067,605 0.12,606 0.042,607 -0.151,608 -0.082,609 -0.177,610 -0.115,611 -0.088,612 -0.145,613 0.009,614 -0.051,615 0.03,616 -0.015,617 0.092,618 0.008,619 0.03,620 -0.028,621 -0.005,622 -0.038,623 0.025,624 -0.029,625 0.065,626 -0.035,627 0.049,628 -0.006,629 0.017,630 0.014,631 0.081,632 -0.004,633 0.11,634 0.047,635 0.067,636 0.076,637 -0.076,638 -0.031,639 -0.199,640 -0.127,641 -0.131,642 -0.17,643 1.702,644 4.199,645 0.703,646 53.053,647 0.99,648 1.134,649 3.803,650 14.462,651 0.648,652 3.738,653 4.043,654 4.277,655 4.533,656 4.691,657 4.762,658 4.92,659 5.004,660 5.037,661 5.088,662 10.425,663 0.605,664 499.73,665 3.738,666 5.273,667 6.107,668 6.971,669 7.819,670 8.686,671 9.541,672 10.41,673 11.271,674 12.142,675 9.5,678 2,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 74,716 22,717 2,718 41,720 78,721 29,722 16,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 4,745 17,746 12,747 1,750 1,755 1,759 1,764 37,765 6,766 2,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,815 2,819 4,823 2,827 37,833 9,834 1,837 1,838 2,844 1,847 1.4,850 1,854 18.167,855 13.583,856 8.083,857 4.577,858 3.692,859 1.434,860 0.994,861 8.347,862 12.199,863 3.98,864 4.543,865 5.083,866 5.669,867 6.106,868 6.439,869 6.876,870 7.264,871 7.42,872 7.631,873 0.917,874 52,875 13.672,877 5.697,878 7.514,879 27.041,881 22.524,883 2.014,884 74.5,888 411.989,889 151.813,890 76.27,892 25.145,895 151.813,896 437.133,897 76.27,898 17.222,899 38.677,900 75.381,901 103.955,902 39.391,903 13.915,904 376.675,906 411.989,907 228.083,908 25.145,911 329.591,912 107.543,915 89.673,916 105.084,917 33.326,919 411.989,920 101.415,921 151.813,924 411.989,925 41.973,926 117.988,927 34.796,928 58.471,929 411.989,930 101.415,931 151.813,933 0.576,934 0.322,935 0.176,936 0.091,937 26,938 11,939 0.128,940 10,941 1,942 1.077,943 5.065,944 335.644,945 0.077,946 26,947 180.75,951 25.654,952 12.039,953 6.864,954 2.47,955 82.73,956 20.267,957 7.852,958 3.425,961 4.604,962 1.946,963 34.796,964 665.216,965 52.5,970 11.199,974 -0.035,975 73.294,976 83.926,977 0.231,978 0.578,979 0.799,980 0.866,981 0.884,982 0.884,983 5.211,984 1.922,985 6.071,986 5.998,987 4.727,988 5.231,989 2.253,990 6.828,991 4.66,992 6.387,993 1.776,994 7.59,995 4.948,996 4.205,997 4.934,998 1.738,999 7.591,1000 4.108,1001 7.669,1002 1.711,1003 9.204,1004 4.655,1005 6.271,1006 7.374,1007 2.979,1008 10.658,1009 6.137,1010 8.984,1011 1.325,1012 10.873,1013 4.417,1014 6.567,1015 7.975,1016 3.069,1017 12.276,1018 6.403,1019 10.333,1020 1.122,1021 12.581,1022 3.48,1023 8.07,1024 9.858,1025 4.054,1026 14.838,1027 7.878,1028 11.706,1029 1,1030 14.315,1031 2.531,1032 8.757,1033 10.904,1034 4.417,1035 16.839,1036 8.538,1037 13.099,1038 1,1039 16.071,1040 2.275,1041 10.023,1042 12.556,1043 5.254,1044 19.231,1045 9.78,1046 3.118,1047 0.895,1048 17.842,1049 2.275,1050 10.911,1051 13.831,1052 5.751,1053 21.409,1054 10.646,1055 2.758,1056 10.431,1057 19.628,1058 2.097,1059 12.073,1060 15.386,1061 6.502,1062 23.748,1063 11.788,1064 2.75,1065 8.884,1066 21.425,1067 4.518,1068 13.065,1069 16.775,1070 7.069,1071 26.008,1072 12.762,1073 2.657,1074 7.802,1075 23.232,1076 3.731,1077 14.185,1078 18.291,1079 7.771,1080 28.334,1081 13.865,1082 2.447,1083 7.458,1084 25.048,1085 3.652,1086 15.232,1087 19.736,1088 8.375,1089 30.632,1090 14.896,1091 2.235,1092 6.942,1093 26.871,1094 2.924,1095 16.338,1096 21.238,1097 9.051,1098 32.959,1099 15.988,1100 2.035,1101 6.452,1102 28.701,1103 2.813,1104 17.415,1105 22.712,1106 9.674,1107 35.277,1108 17.05,1109 25592,1110 39249,1111 28.027,1112 47.915,1113 61.387,1114 61.118,1115 61.295,1116 60.651,1117 60.68,1118 77.314,1119 7.89,1120 168.793,1121 58.651,1122 5.568,1123 5.533,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 15.38,1132 1.497,1133 1.491,1134 1.495,1135 1.479,1136 1.48,1137 1.886,1138 0.192,1139 4.117,1140 1.431,1141 4.155,1142 4.194,1143 4.114,1144 4.063,1145 7.43,1146 4.071,1147 3.965,1148 4.011,1149 3.891,1150 3.875,1151 5.135,1152 3.874,1153 3.873,1154 3.93,1155 3.79,1156 3.74,1157 4.927,1158 3.735,1159 3.825,1160 3.899,1161 3.754,1162 3.589,1163 4.751,1164 3.625,1165 3.608,1166 3.682,1167 3.491,1168 3.417,1169 4.374,1170 3.421,1171 3.526,1172 3.582,1173 3.404,1174 3.327,1175 4.259,1176 3.343,1177 3.431,1178 3.502,1179 3.293,1180 3.227,1181 4.184,1182 3.235,1183 3.276,1184 3.346,1185 3.155,1186 3.11,1187 3.96,1188 3.111,1189 0.111,1190 0.086,1191 0.16,1192 0.1,1193 0.076,1194 4.568,1195 0.11,1196 3.533,1197 0.047,1198 6.566,1199 0.254,1200 4.099,1201 0.075,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.937,1209 2.093,1210 2.071,1211 1.473,1212 2.082,1213 1.929,1214 1.896,1215 2.042,1216 2.048,1217 1.289,1218 2.047,1219 1.862,1220 1.805,1221 2.021,1222 2.007,1223 1.183,1224 2.015,1225 1.676,1226 1.62,1227 1.886,1228 1.848,1229 1.122,1230 1.864,1231 1.508,1232 1.441,1233 1.747,1234 1.76,1235 0.916,1236 1.758,1237 1.427,1238 1.361,1239 1.688,1240 1.676,1241 0.825,1242 1.674,1243 1.394,1244 1.323,1245 1.586,1246 1.642,1247 0.759,1248 1.633,1249 1.305,1250 1.234,1251 1.513,1252 1.511,1253 0.71,1254 1.522,1255 4.419,1257 5.727,1258 3.045,1259 7.207,1260 5.283,1261 8.768,1262 7.286,1263 10.375,1265 3.748,1271 10.377,1272 2.829,1275 0.754,1276 5.063,1280 44.767,1281 106.217,1282 265.777,1283 367.319,1284 397.725,1285 405.99,1286 405.99,1287 54.719,1288 8.507,1289 82.08,1290 82.08,1291 28,1292 12.687,1293 4.524,1294 3.644,1295 57.421,1296 236,1297 225,1298 0.115,1299 274.264,1300 464.25,1301 660.963,1302 79661,1304 25.614,1305 0.692,1306 0.591,1307 25.614,1308 21.859,1309 18.03,1310 0.44,1311 0.323,1312 13.086,1313 17.362,1314 12.72,1315 10.584,1316 18.03,1317 13.257,1318 16.29,1319 0.291,1320 0.185,1321 16.29,1322 10.376,1323 13.065,1324 0.184,1325 0.104,1326 13.065,1327 7.392,1328 11.124,1329 0.121,1330 0.059,1331 11.124,1332 5.467,1333 8.443,1334 0.078,1335 0.035,1336 8.443,1337 3.824,1338 0.192,1339 112.504,1340 0.189,1341 35.107,1342 0.285,1343 194,1344 476.627,1345 209.12,1346 470.148,1347 650.4,1348 442,1349 224,1350 486.014,1351 239.955,1352 497.464,1353 714.36,1354 465,1355 8.553} {0 CHEMBL147677,1 1.554,2 17.206,3 2.075,4 4.307,5 132.669,6 7.04,7 0.541,8 4.285,9 4.424,10 3.787,11 3.751,12 5.363,13 3.739,14 4.813,15 4.994,16 4.103,17 4.143,18 5.854,19 4.096,20 5.054,21 5.283,22 4.105,23 4.242,24 6.003,25 4.161,26 5.039,27 5.259,28 4.036,29 4.224,30 5.995,31 4.128,32 5.062,33 5.309,34 3.983,35 4.14,36 6.087,37 4.022,38 4.998,39 5.261,40 3.809,41 4.041,42 5.87,43 3.922,44 4.898,45 5.15,46 3.793,47 3.942,48 5.884,49 3.839,50 4.84,51 5.094,52 3.703,53 3.847,54 5.835,55 3.749,56 0.081,57 0.991,58 15.031,59 5.505,60 14.206,61 7.836,62 0.343,63 1.503,64 27.085,65 9.544,66 37.107,67 13.572,68 0.531,69 1.701,70 36.37,71 11.892,72 52.087,73 17.295,74 0.353,75 1.699,76 35.206,77 11.782,78 47.085,79 17.17,80 0.77,81 1.627,82 37.284,83 11.793,84 79.009,85 17.693,86 0.45,87 1.49,88 35.344,89 10.556,90 47.716,91 16.057,92 0.455,93 1.353,94 31.853,95 9.469,96 54.382,97 14.365,98 0.596,99 1.257,100 30.619,101 8.485,102 58.287,103 12.85,104 18,105 49,106 0.246,107 0.579,108 0.713,109 0.755,110 0.755,111 0.755,112 3.559,113 0.937,114 -1.93,115 -1.99,116 -1.99,119 37.9,121 2,125 6,140 6,141 4,142 2,149 2,150 2,157 1,161 2,162 2,163 2,169 8,172 4,174 2,175 1,176 8,178 8,180 2,182 4,184 2,186 8,189 8,191 2,193 2,197 2,199 4,201 2,202 2,203 2,206 4,207 2,208 6,210 2,211 2,213 2,220 6,224 2,226 4,228 2,229 2,231 8,235 2,236 1,237 4,241 2,242 6,249 2,254 2,259 2296,260 23.585,261 23.585,262 23.585,263 23.585,264 23.585,265 21.171,266 22.582,267 14.46,268 24.123,269 18.244,270 18.244,271 18.244,272 18.244,273 18.244,274 14.41,275 20.312,276 6.741,277 19.07,278 4.49,279 2.387,280 1.538,281 1.273,282 1.273,283 1.273,284 4.259,289 1,290 1269,291 4.359,294 196.137,295 217.84,298 342.34,302 2.606,303 29.971,306 0.75,307 0.33,308 0.67,309 0.7,310 0.5,311 0.5,313 0.49,314 74,315 585,316 4.55,317 3.529,318 6.546,319 4.076,320 3.092,321 4.504,322 1.656,323 10.36,324 3.042,325 4.55,326 3.187,327 6.546,328 4.076,329 3.092,330 4.504,331 0.86,332 10.36,333 3.042,334 3.722,335 3.186,336 5.317,337 3.374,338 2.423,339 3.129,340 0.86,341 6.865,342 2.3,343 3.715,344 2.776,345 5.317,346 3.325,347 2.386,348 3.129,349 0.247,350 6.863,351 2.241,352 3.65,353 2.773,354 5.097,355 3.296,356 2.336,357 2.827,359 6.089,360 2.228,361 3.346,362 2.173,363 5.096,364 2.945,365 1.976,366 2.675,368 5.914,369 1.905,370 3.346,371 2.171,372 5.032,373 2.942,374 1.972,375 2.674,377 5.912,378 1.902,379 2.755,380 1.806,381 4.159,382 2.468,383 1.534,384 1.857,386 3.55,387 1.424,388 2.75,389 1.772,390 4.158,391 2.322,392 1.362,393 1.854,395 3.53,396 1.305,397 2.57,398 1.393,399 3.676,400 2.297,401 1.317,402 1.574,404 3.159,405 1.29,406 2.458,407 1.393,408 3.492,409 2.246,410 1.28,411 1.437,413 2.75,414 1.223,415 2.315,416 1.216,417 3.329,418 2.015,419 1.065,420 1.276,422 2.106,423 1.008,424 2.294,425 1.202,426 3.306,427 2.003,428 1.049,429 1.249,431 2.067,432 0.998,433 1.982,434 1.069,435 3.062,436 1.637,437 0.7,438 0.869,440 1.45,441 0.652,442 1.971,443 1.028,444 3.028,445 1.605,446 0.649,447 0.841,449 1.324,450 0.618,451 15.9,452 0.468,453 0.585,454 0.017,455 40.75,456 1.199,457 18.5,458 0.544,459 22.25,460 0.654,461 29.276,462 0.861,463 38.1,464 0.577,465 31.627,466 0.93,467 8.358,468 0.246,469 8.315,470 0.245,471 0.071,473 0.283,479 1.013,480 1.29,481 0.891,482 1.078,483 0.876,484 0.963,485 1.021,486 1.102,487 0.98,488 1.069,489 0.732,490 1.024,491 1.154,492 0.925,493 0.977,494 0.92,495 0.974,496 0.926,497 1.156,498 1.191,499 1.13,500 1.202,501 1.172,502 1.172,503 0.733,504 1.05,505 1.006,506 1.133,507 0.944,508 1.121,509 1.209,510 1.037,511 1.047,512 1.004,513 0.855,514 1.004,515 1.162,516 1.123,517 1.021,518 1.075,519 0.892,520 1.04,521 1.398,522 0.975,523 1.093,524 0.931,525 1.553,526 0.967,527 5.5,528 0.154,529 3.333,530 1.833,531 1.387,532 0.737,533 0.557,534 0.318,535 0.177,536 0.253,537 21847,538 53258,539 2.095,540 48.5,542 18,543 2,545 8,547 4,550 1.75,551 2,552 4.009,553 4.849,559 102.569,560 1.554,561 3.658,562 4.506,563 4.772,564 4.772,565 4.772,566 3.433,567 4.029,568 5.065,569 4.236,570 2376.2,571 8.817,572 41748.3,577 398.93,578 1.223,579 5.037,580 0.149,581 0.005,582 0.068,583 0.038,584 0.032,585 0.019,586 0.017,587 0.01,588 0.006,589 0.009,590 0.354,591 0.17,592 0.63,593 0.94,594 190.867,595 -0.127,596 0.006,597 0.024,598 0.041,599 -0.123,600 0.064,601 -0.008,602 0.049,603 -0.03,604 0.003,605 0.024,606 -0.013,607 -0.067,608 0.083,609 0.007,610 0.098,611 -0.076,612 0.07,613 -0.145,614 -0.157,615 -0.163,616 -0.168,617 -0.156,618 -0.168,619 0.305,620 -0.079,621 -0.017,622 -0.147,623 0.142,624 -0.138,625 -0.134,626 -0.104,627 -0.044,628 -0.039,629 -0.066,630 -0.029,631 -0.013,632 -0.178,633 -0.013,634 -0.108,635 0.109,636 -0.07,637 -0.059,638 -0.04,639 -0.055,640 -0.001,641 -0.083,642 -0.028,643 1.926,644 5.014,645 0.529,646 42.208,647 1.001,648 1.137,649 0.7,650 0.491,651 0.641,652 3.638,653 3.912,654 4.174,655 4.431,656 4.595,657 4.644,658 4.727,659 4.754,660 4.635,661 4.644,662 10.042,663 0.608,664 464.63,665 3.638,666 5.153,667 5.989,668 6.849,669 7.707,670 8.576,671 9.444,672 10.318,673 11.191,674 12.068,675 9.1,676 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,712 2,714 66,716 21,717 2,718 37,720 69,721 25,722 16,723 6,724 6,730 4,731 6,735 1,736 2,743 2,745 17,746 8,750 1,755 1,759 1,764 32,765 7,766 8,767 9,773 6,777 0.5,778 3,788 2,792 2,793 2,796 2,812 2,819 2,827 34,828 2,833 8,834 2,835 2,847 4.5,850 1,852 2,854 17,855 11.083,856 7.778,857 3.847,858 3.771,859 1.473,860 1.004,861 8.705,862 11.744,863 3.892,864 4.483,865 5.101,866 5.725,867 6.212,868 6.523,869 6.875,870 7.176,871 6.929,872 6.955,873 1,874 48,875 12.557,877 5.214,878 7.706,879 24.137,881 19.506,883 2.206,884 75,888 282.506,889 128.197,890 135.387,892 47.145,895 128.197,896 329.651,897 135.387,899 124.493,900 74.952,901 25.145,902 77.575,903 32.106,904 258.964,906 282.506,907 263.584,908 47.145,911 235.422,912 94.229,915 158.064,916 105.52,919 282.506,920 182.532,921 128.197,924 282.506,925 53.245,926 74.952,927 69.593,928 112.939,929 282.506,930 182.532,931 128.197,933 0.559,934 0.325,935 0.184,936 0.1,937 21,938 9,939 0.174,940 12,941 2,942 1.222,943 4.802,944 288.06,945 0.222,946 18,947 140.974,951 24.412,952 12.124,953 6.459,954 4.332,955 148.961,956 15.743,958 6.477,961 3.864,963 135.387,964 593.235,965 48,970 12.014,974 -0.259,975 66.08,976 75.016,977 0.257,978 0.605,979 0.746,980 0.789,981 0.789,982 0.789,983 5.1,984 1.534,985 5.938,986 5.912,987 4.595,988 5.17,989 2.17,990 6.708,991 4.517,992 6.285,993 1.362,994 7.463,995 3.55,996 4.007,997 4.997,998 1.195,999 7.535,1000 3.936,1001 7.584,1002 1.317,1003 9.092,1004 3.53,1005 6.138,1006 7.432,1007 2.594,1008 10.641,1009 6.006,1010 8.927,1011 1.28,1012 10.786,1013 3.159,1014 6.447,1015 8.186,1016 2.324,1017 12.371,1018 6.329,1019 10.31,1020 1.065,1021 12.523,1022 2.75,1023 7.977,1024 10.056,1025 3.305,1026 14.969,1027 7.815,1028 11.721,1029 1.049,1030 14.29,1031 2.106,1032 8.717,1033 11.229,1034 3.407,1035 17.066,1036 8.565,1037 13.153,1038 0.7,1039 16.081,1040 2.067,1041 10,1042 12.881,1043 4.174,1044 19.496,1045 9.819,1046 3.092,1047 0.649,1048 17.889,1049 1.45,1050 10.948,1051 14.243,1052 4.464,1053 21.741,1054 10.77,1055 3.092,1056 10.36,1057 19.712,1058 1.324,1059 12.131,1060 15.808,1061 5.117,1062 24.112,1063 11.932,1064 2.423,1065 10.36,1066 21.545,1067 4.504,1068 13.176,1069 17.251,1070 5.504,1071 26.414,1072 12.973,1073 2.386,1074 6.865,1075 23.388,1076 4.504,1077 14.32,1078 18.781,1079 6.092,1080 28.765,1081 14.102,1082 2.336,1083 6.863,1084 25.237,1085 3.129,1086 15.41,1087 20.26,1088 6.531,1089 31.088,1090 15.183,1091 1.976,1092 6.089,1093 27.092,1094 3.129,1095 16.541,1096 21.774,1097 7.084,1098 33.431,1099 16.299,1100 1.972,1101 5.914,1102 28.952,1103 2.827,1104 17.651,1105 23.268,1106 7.551,1107 35.763,1108 17.398,1109 20551,1110 32236,1111 25.137,1112 42.296,1113 53.982,1114 55.379,1115 55.532,1116 53.746,1117 53.841,1118 70.354,1119 7.246,1120 147.613,1121 51.594,1122 5.506,1123 5.529,1124 6.313,1125 5.173,1126 5.092,1127 7.504,1128 2.912,1129 17.015,1130 5.042,1131 14.476,1132 1.459,1133 1.497,1134 1.501,1135 1.453,1136 1.455,1137 1.901,1138 0.196,1139 3.99,1140 1.394,1141 4.147,1142 4.179,1143 4.104,1144 4.059,1145 7.431,1146 4.066,1147 4.112,1148 4.143,1149 4.072,1150 4.027,1151 5.054,1152 4.035,1153 3.716,1154 3.778,1155 3.622,1156 3.47,1157 5.021,1158 3.492,1159 3.597,1160 3.651,1161 3.486,1162 3.434,1163 4.961,1164 3.436,1165 3.553,1166 3.624,1167 3.434,1168 3.388,1169 4.954,1170 3.391,1171 3.473,1172 3.557,1173 3.304,1174 3.261,1175 4.594,1176 3.26,1177 3.357,1178 3.422,1179 3.233,1180 3.111,1181 4.583,1182 3.129,1183 3.281,1184 3.361,1185 3.134,1186 3.077,1187 4.188,1188 3.081,1189 0.123,1190 0.095,1191 0.177,1192 0.11,1193 0.084,1194 4.55,1195 0.122,1196 3.529,1197 0.045,1198 6.546,1199 0.28,1200 4.076,1201 0.082,1202 3.092,1203 4.504,1204 1.656,1205 10.36,1206 3.042,1207 1.936,1208 1.918,1209 2.022,1210 2.03,1211 1.226,1212 2.026,1213 1.936,1214 1.918,1215 2.021,1216 2.025,1217 1.226,1218 2.024,1219 1.651,1220 1.593,1221 1.856,1222 1.877,1223 1.057,1224 1.864,1225 1.649,1226 1.591,1227 1.853,1228 1.846,1229 1.035,1230 1.854,1231 1.591,1232 1.525,1233 1.808,1234 1.845,1235 0.997,1236 1.845,1237 1.456,1238 1.389,1239 1.728,1240 1.712,1241 0.977,1242 1.719,1243 1.284,1244 1.199,1245 1.522,1246 1.576,1247 0.555,1248 1.567,1249 1.276,1250 1.187,1251 1.52,1252 1.557,1253 0.555,1254 1.557,1255 4.317,1257 5.602,1258 3.045,1259 7.072,1260 5.416,1261 8.637,1262 7.516,1263 10.259,1269 11.351,1271 4.334,1272 5.577,1273 11.566,1280 40.121,1281 102.569,1282 241.42,1283 297.42,1284 314.93,1285 314.93,1286 314.93,1287 59.703,1288 7.972,1289 143.21,1290 143.21,1291 22,1292 12.607,1293 4.459,1294 3.585,1295 57.672,1296 211,1297 175,1298 0.127,1299 247.413,1300 416.63,1301 595.449,1302 43439,1304 23.753,1305 0.699,1306 0.563,1307 23.753,1308 19.155,1309 16.673,1310 0.451,1311 0.312,1312 11.366,1313 15.965,1314 11.199,1315 9.248,1316 16.673,1317 11.551,1318 14.132,1319 0.288,1320 0.163,1321 14.132,1322 8,1323 11.778,1324 0.184,1325 0.088,1326 11.778,1327 5.618,1328 9.853,1329 0.119,1330 0.048,1331 9.853,1332 3.949,1333 7.72,1334 0.079,1335 0.026,1336 7.72,1337 2.523,1338 0.215,1339 104.958,1340 0.199,1341 32.909,1342 0.313,1343 172,1344 485.163,1345 189.737,1346 463.853,1347 638.1,1348 438,1349 199,1350 468.714,1351 215.41,1352 470.405,1353 687.58,1354 446,1355 9.398} {0 CHEMBL147786,1 1.348,2 13.414,3 3.052,4 9.314,5 120.281,6 6.436,7 0.455,8 4.2,9 4.349,10 3.669,11 3.703,12 5.102,13 3.658,14 4.789,15 5.011,16 3.961,17 4.117,18 5.571,19 4.033,20 5.043,21 5.302,22 3.947,23 4.274,24 5.73,25 4.134,26 5.166,27 5.449,28 3.9,29 4.329,30 5.822,31 4.155,32 5.191,33 5.494,34 3.798,35 4.279,36 5.79,37 4.076,38 5.109,39 5.433,40 3.735,41 4.143,42 5.695,43 3.959,44 4.902,45 5.188,46 3.666,47 4.017,48 5.582,49 3.85,50 4.865,51 5.179,52 3.479,53 3.917,54 5.5,55 3.737,56 0.096,57 0.966,58 15.079,59 5.441,60 12.076,61 8.328,62 0.284,63 1.54,64 27.773,65 8.933,66 18.937,67 14.142,68 0.266,69 1.797,70 35.394,71 12.332,72 22.212,73 19.134,74 0.323,75 1.912,76 39.984,77 14.306,78 28.266,79 21.93,80 0.285,81 1.857,82 40.819,83 14.886,84 27.304,85 22.777,86 0.35,87 1.674,88 38.1,89 12.425,90 25.632,91 19.745,92 0.275,93 1.464,94 30.859,95 10.348,96 23.118,97 16.252,98 0.32,99 1.337,100 30.006,101 9.343,102 23.358,103 15.034,104 2,105 46,106 0.218,107 0.53,108 0.733,109 0.816,110 0.83,111 0.83,112 3.407,113 1.012,114 -4.96,115 -4.86,116 -4.56,119 37.7,121 6,122 1,124 1,125 4,127 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 8,171 2,172 8,176 3,178 6,182 5,186 3,189 5,192 1,193 6,197 1,199 7,203 6,206 1,211 8,215 6,218 1,222 3,226 6,229 2,233 2,236 1,237 4,242 2,244 3,249 1,256 5,259 1388,260 20.17,261 20.17,262 20.17,263 20.17,264 20.17,265 18.483,266 26.158,267 11.905,268 20.612,269 16.313,270 16.313,271 16.313,272 16.313,273 16.313,274 13.775,275 33.995,276 5.674,277 17.029,278 4.583,279 2.655,280 1.401,281 0.89,282 0.799,283 0.799,284 4.112,288 1,289 1,290 881,291 3.317,292 62.27,294 152.417,295 184.028,298 129.253,302 2.083,303 10.166,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 61,315 389,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.103,327 6.095,328 3.835,329 2.88,330 3.731,331 0.8,332 8.884,333 2.759,334 3.88,335 2.885,336 6.065,337 3.689,338 2.753,339 2.881,341 8.757,342 2.578,343 3.602,344 2.786,345 5.479,346 3.578,347 2.601,348 2.812,350 7.34,351 2.538,352 3.439,353 2.53,354 5.297,355 3.274,356 2.344,357 2.606,359 6.785,360 2.174,361 3.33,362 2.184,363 5.126,364 3.009,365 2.031,366 2.586,368 6,369 1.98,370 3.245,371 1.795,372 4.514,373 2.731,374 1.776,375 2.336,377 4.655,378 1.691,379 2.744,380 1.567,381 4.141,382 2.395,383 1.426,384 1.849,386 3.622,387 1.38,388 2.461,389 1.348,390 4.105,391 2.255,392 1.285,393 1.455,395 3.448,396 1.243,397 2.377,398 1.136,399 3.46,400 2.048,401 1.087,402 1.346,404 2.479,405 1.042,406 2.207,407 1.077,408 3.414,409 1.984,410 1,411 1.148,413 2.275,414 0.983,415 2.118,416 0.924,417 3.314,418 1.853,419 0.888,420 1,422 2.087,423 0.855,424 2,425 0.658,426 3.174,427 1.552,428 0.618,429 0.927,431 1.445,432 0.568,433 1.958,434 0.618,435 3,436 1.518,437 0.593,438 0.803,440 1.372,441 0.556,442 1.203,443 0.271,444 2.885,445 1.147,446 0.17,447 0.172,449 0.413,450 0.165,451 13.9,452 0.479,453 0.585,454 0.02,455 31.75,456 1.095,457 12,458 0.414,459 19.75,460 0.681,461 28.995,462 1,463 32.3,464 0.53,465 19.618,466 0.676,467 5.627,468 0.194,469 8.632,470 0.298,471 0.036,473 0.302,479 0.901,480 1.538,481 0.916,482 1.239,483 0.649,484 1.104,485 1.316,486 1.1,487 1.07,488 1.006,489 0.777,490 1.011,491 1.014,492 1.084,493 1.054,494 1.082,495 0.717,496 1.073,497 0.84,498 0.967,499 1.019,500 1.05,501 0.739,502 1.053,503 0.567,504 1.037,505 0.915,506 1.089,507 0.691,508 1.046,509 0.863,510 0.812,511 0.82,512 0.802,513 0.622,514 0.805,515 0.827,516 1.112,517 0.986,518 1.101,519 0.789,520 1.067,521 1.182,522 0.784,523 1.003,524 0.834,525 1.22,526 0.889,527 5,528 0.107,529 3.389,530 1.16,531 1.046,532 0.841,533 0.434,534 0.24,535 0.133,536 0.163,537 13792,538 25583,539 2.215,540 52.5,541 6,542 15,543 1,544 2,545 1,547 3,548 4,550 1.712,551 2.148,552 3.696,553 -0.371,555 1,559 82.223,560 1.348,561 3.275,562 4.529,563 5.041,564 5.131,565 5.131,566 3.125,567 4.349,568 4.829,569 3.899,570 1583.08,571 8.372,572 22804.3,574 1,577 361.775,578 1.091,579 4.82,580 0.152,581 0.005,582 0.079,583 0.028,584 0.028,585 0.025,586 0.014,587 0.008,588 0.006,589 0.007,590 0.351,591 0.33,592 0.88,593 0.335,594 151.267,595 0.154,596 -0.229,597 0.102,598 -0.084,599 0.309,600 -0.01,601 -0.068,602 0.074,603 -0.045,604 0.024,605 0.114,606 -0.003,607 -0.102,608 -0.042,609 -0.074,610 -0.049,611 0.038,612 -0.057,613 -0.029,614 0.004,615 -0.055,616 -0.033,617 0.041,618 -0.044,619 0.11,620 -0.136,621 0.031,622 -0.079,623 0.1,624 -0.04,625 0.052,626 0.073,627 0.151,628 0.143,629 0.172,630 0.155,631 0.105,632 -0.143,633 -0.009,634 -0.114,635 0.108,636 -0.079,637 -0.101,638 0.148,639 -0.014,640 0.097,641 -0.166,642 0.058,643 0.555,644 0.928,645 0.793,646 32.321,647 0.985,648 1.137,649 3.725,650 13.877,651 0.638,652 3.526,653 3.85,654 4.094,655 4.331,656 4.489,657 4.595,658 4.71,659 4.812,660 4.868,661 4.898,662 7.924,663 0.59,664 392.61,665 3.526,666 5.069,667 5.927,668 6.799,669 7.668,670 8.543,671 9.417,672 10.294,673 11.17,674 12.049,675 9.8,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 61,716 15,717 1,718 33,720 65,721 23,722 10,723 3,724 3,730 5,731 6,740 5,741 1,743 7,745 10,746 13,747 1,761 1,764 32,765 4,766 1,767 6,773 6,777 0.8,788 1,790 1,792 2,793 2,796 1,815 2,819 4,823 1,827 29,833 10,837 2,838 2,844 1,854 13.5,855 10.917,856 6.278,857 4.03,858 2.751,859 1.35,860 1.004,861 5.603,862 10.614,863 3.726,864 4.284,865 4.844,866 5.424,867 5.838,868 6.264,869 6.723,870 7.154,871 7.347,872 7.567,873 0.889,874 41,875 10.763,877 4.574,878 7.322,879 21.854,881 18.996,883 1.822,884 52.833,887 1,888 364.904,889 97.399,890 58.259,895 97.399,896 364.904,897 58.259,898 8.396,899 23.63,900 37.476,901 74.105,902 33.449,903 13.915,904 329.591,906 364.904,907 155.658,911 282.506,912 82.398,915 65.8,916 56.532,917 33.326,919 364.904,920 58.259,921 97.399,924 364.904,925 34.289,926 71.257,927 16.786,928 33.326,929 364.904,930 58.259,931 97.399,933 0.582,934 0.327,935 0.173,936 0.085,937 24,938 9,939 0.123,940 8,941 1,942 1.087,943 4.405,944 250.655,945 0.087,946 23,947 128.881,951 19.139,952 8.489,953 4.672,954 2.521,955 39.575,956 12.178,957 7.84,958 3.428,961 2.523,962 1.959,963 16.786,964 520.563,965 40.5,975 60.098,976 69.387,977 0.227,978 0.552,979 0.764,980 0.85,981 0.865,982 0.865,983 4.975,984 1.426,985 5.894,986 4.655,987 4.533,988 4.97,989 1.072,990 6.683,991 4.452,992 6.15,993 1.285,994 7.439,995 3.622,996 4.111,997 4.718,998 0.57,999 7.573,1000 3.995,1001 7.44,1002 1.087,1003 9.082,1004 3.448,1005 6.125,1006 7.119,1007 0.653,1008 10.611,1009 5.972,1010 8.765,1011 1,1012 10.784,1013 2.479,1014 6.524,1015 7.797,1016 0.479,1017 12.316,1018 6.337,1019 10.126,1020 0.888,1021 12.523,1022 2.275,1023 7.987,1024 9.645,1025 0.432,1026 14.868,1027 7.771,1028 11.513,1029 0.618,1030 14.287,1031 2.087,1032 8.751,1033 10.765,1034 0.346,1035 16.906,1036 8.507,1037 12.919,1038 0.593,1039 16.069,1040 1.445,1041 9.996,1042 12.397,1043 0.291,1044 19.297,1045 9.727,1046 3.118,1047 0.17,1048 17.864,1049 1.372,1050 10.933,1051 13.726,1052 0.237,1053 21.485,1054 10.64,1055 2.88,1056 10.431,1057 19.669,1058 0.413,1059 12.088,1060 15.275,1061 0.195,1062 23.821,1063 11.774,1064 2.753,1065 8.884,1066 21.483,1067 4.518,1068 13.108,1069 16.699,1070 0.158,1071 26.079,1072 12.775,1073 2.601,1074 8.757,1075 23.304,1076 3.731,1077 14.228,1078 18.216,1079 0.129,1080 28.401,1081 13.876,1082 2.344,1083 7.34,1084 25.13,1085 2.881,1086 15.291,1087 19.682,1088 0.104,1089 30.694,1090 14.922,1091 2.031,1092 6.785,1093 26.962,1094 2.812,1095 16.4,1096 21.189,1097 0.084,1098 33.015,1099 16.013,1100 1.776,1101 6,1102 28.798,1103 2.606,1104 17.486,1105 22.675,1106 0.068,1107 35.327,1108 17.084,1109 12450,1110 17243,1111 23.057,1112 38.932,1113 49.755,1114 48.993,1115 49.636,1116 49.118,1117 49.138,1118 60.342,1119 3.2,1120 139.986,1121 47.149,1122 5.568,1123 5.197,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 1.2,1129 17.096,1130 5.062,1131 7.242,1132 1.508,1133 1.485,1134 1.504,1135 1.488,1136 1.489,1137 1.829,1138 0.097,1139 4.242,1140 1.429,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.07,1147 3.957,1148 4.018,1149 3.837,1150 3.831,1151 4.927,1152 3.823,1153 3.84,1154 3.911,1155 3.789,1156 3.69,1157 4.431,1158 3.685,1159 3.815,1160 3.884,1161 3.694,1162 3.585,1163 4.276,1164 3.622,1165 3.549,1166 3.622,1167 3.403,1168 3.392,1169 4.242,1170 3.389,1171 3.352,1172 3.437,1173 3.226,1174 3.156,1175 4.038,1176 3.164,1177 3.243,1178 3.323,1179 3.081,1180 3.041,1181 3.874,1182 3.037,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.683,1188 2.91,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.094,1194 4.568,1195 0.137,1196 3.197,1197 0.024,1198 6.566,1199 0.316,1200 4.099,1201 0.093,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.073,1210 2.063,1211 1.441,1212 2.069,1213 1.859,1214 1.796,1215 2.031,1216 2.041,1217 1.282,1218 2.04,1219 1.675,1220 1.617,1221 1.885,1222 1.852,1223 1.131,1224 1.867,1225 1.498,1226 1.424,1227 1.747,1228 1.727,1229 1.069,1230 1.735,1231 1.401,1232 1.33,1233 1.58,1234 1.65,1235 0.825,1236 1.633,1237 1.303,1238 1.237,1239 1.513,1240 1.496,1241 0.825,1242 1.51,1243 1.153,1244 1.064,1245 1.513,1246 1.442,1247 0.766,1248 1.429,1249 1.153,1250 1.064,1251 1.503,1252 1.376,1253 0.645,1254 1.429,1255 4.205,1256 1.946,1257 5.525,1258 4.111,1259 7.029,1260 6.043,1261 8.614,1262 7.89,1263 10.242,1265 2.337,1271 12.947,1275 1.802,1276 5.299,1280 35.977,1281 82.223,1282 199.804,1283 276.291,1284 307.51,1285 313.02,1286 313.02,1287 34.591,1288 7.862,1289 52.98,1290 52.98,1291 25,1292 12.586,1293 4,1294 3.087,1295 39.978,1296 140,1297 129,1298 0.136,1299 217.629,1300 362.12,1301 522.774,1302 32379,1304 19.631,1305 0.677,1306 0.601,1307 19.631,1308 17.426,1309 14.259,1310 0.432,1311 0.337,1312 10.998,1313 13.741,1314 10.751,1315 8.879,1316 14.259,1317 11.137,1318 12.747,1319 0.277,1320 0.195,1321 12.747,1322 8.972,1323 10.666,1324 0.181,1325 0.111,1326 10.666,1327 6.523,1328 8.764,1329 0.117,1330 0.062,1331 8.764,1332 4.684,1333 6.534,1334 0.074,1335 0.037,1336 6.534,1337 3.238,1338 0.223,1339 88.856,1340 0.208,1341 28.348,1342 0.35,1343 158,1344 338.558,1345 169.185,1346 335.146,1347 476.04,1348 318,1349 187,1350 367.476,1351 200.128,1352 374.785,1353 544.35,1354 352,1355 7.658} {0 CHEMBL147818,1 1.35,2 15.171,3 3.447,4 11.88,5 145.346,6 6.552,7 0.538,8 4.355,9 4.504,10 3.829,11 3.862,12 5.315,13 3.819,14 4.932,15 5.148,16 4.151,17 4.288,18 5.773,19 4.213,20 5.203,21 5.449,22 4.143,23 4.465,24 5.952,25 4.328,26 5.351,27 5.637,28 4.122,29 4.501,30 6.035,31 4.335,32 5.348,33 5.638,34 4.119,35 4.487,36 6.026,37 4.324,38 5.332,39 5.613,40 4.122,41 4.496,42 6.032,43 4.335,44 5.355,45 5.643,46 4.037,47 4.477,48 6.051,49 4.291,50 5.319,51 5.639,52 3.784,53 4.333,54 5.937,55 4.112,56 0.11,57 1.124,58 17.283,59 6.298,60 15.314,61 9.524,62 0.324,63 1.811,64 31.714,65 10.33,66 24.142,67 16.118,68 0.323,69 2.171,70 41.355,71 14.867,72 30.919,73 22.608,74 0.371,75 2.329,76 48.308,77 17.141,78 38.794,79 26.295,80 0.394,81 2.315,82 48.336,83 16.734,84 37.474,85 25.872,86 0.384,87 2.315,88 47.469,89 16.604,90 36.169,91 25.554,92 0.42,93 2.308,94 48.58,95 17.363,96 40.528,97 26.474,98 0.407,99 2.075,100 47.281,101 16.082,102 38.956,103 25.053,104 7,105 53,106 0.21,107 0.534,108 0.738,109 0.813,110 0.83,111 0.83,112 3.588,113 0.984,114 -4.99,115 -4.89,116 -4.58,119 38.9,121 4,124 2,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 6,178 12,182 4,184 1,186 5,189 8,193 8,195 1,197 3,199 7,203 10,206 1,208 1,211 8,215 6,218 1,220 1,222 7,225 1,226 5,229 2,231 1,233 4,236 1,237 5,242 3,244 3,249 2,254 1,256 5,259 2292,260 24.154,261 24.154,262 24.154,263 24.154,264 24.154,265 21.739,266 31.948,267 14.572,268 24.657,269 19.323,270 19.323,271 19.323,272 19.323,273 19.323,274 15.771,275 45.049,276 6.982,277 20.137,278 4.82,279 2.734,280 1.424,281 0.941,282 0.827,283 0.827,284 4.298,289 1,290 1172,291 3.873,294 195.709,295 371.404,298 167.941,302 2.338,303 14.03,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 73.5,315 531,316 4.568,317 3.203,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.196,327 6.182,328 3.874,329 2.901,330 3.731,331 0.8,332 9.238,333 2.824,334 4.094,335 2.894,336 6.095,337 3.69,338 2.753,339 3.553,340 0.657,341 8.884,342 2.578,343 3.649,344 2.86,345 5.479,346 3.559,347 2.608,348 2.813,350 7.339,351 2.484,352 3.434,353 2.482,354 5.15,355 3.156,356 2.202,357 2.679,359 6.375,360 2.095,361 3.343,362 2.393,363 5.11,364 3.076,365 2.146,366 2.591,368 5.994,369 2.008,370 3.249,371 2.18,372 4.754,373 2.991,374 2.02,375 2.451,377 5.346,378 1.943,379 3.145,380 1.795,381 4.514,382 2.73,383 1.776,384 2.152,386 4.655,387 1.69,388 2.933,389 1.771,390 4.142,391 2.628,392 1.654,393 2.03,395 3.824,396 1.606,397 2.742,398 1.37,399 4.129,400 2.314,401 1.329,402 1.847,404 3.479,405 1.308,406 2.5,407 1.187,408 3.494,409 2.104,410 1.138,411 1.5,413 2.608,414 1.097,415 2.431,416 1.1,417 3.439,418 2,419 1.025,420 1.408,422 2.449,423 1,424 2.319,425 1.077,426 3.414,427 1.998,428 1,429 1.281,431 2.275,432 0.995,433 2.228,434 1,435 3.315,436 1.984,437 1,438 1.168,440 2.136,441 0.983,442 2.118,443 0.928,444 3.247,445 1.857,446 0.891,447 1,449 2.093,450 0.859,451 16.8,452 0.48,453 0.691,454 0.02,455 41.25,456 1.179,457 18,458 0.514,459 23.25,460 0.664,461 34.766,462 0.993,463 38.4,464 0.533,465 29.822,466 0.852,467 8.016,468 0.229,469 9.137,470 0.261,471 0.06,473 0.28,479 0.964,480 1.489,481 0.917,482 1.195,483 0.798,484 1.075,485 1.386,486 1.044,487 1.047,488 0.939,489 0.87,490 0.955,491 1,492 1.109,493 1.108,494 1.142,495 0.878,496 1.137,497 0.807,498 1.009,499 0.948,500 1.023,501 0.725,502 1.004,503 0.88,504 0.969,505 0.937,506 0.971,507 0.817,508 0.962,509 0.917,510 1.005,511 1,512 1.029,513 0.837,514 1.024,515 0.767,516 1.029,517 1.034,518 1.115,519 0.878,520 1.104,521 0.854,522 0.924,523 0.982,524 0.993,525 0.991,526 0.999,527 6,528 0.111,529 3.333,530 1.444,531 1.357,532 1.104,533 0.629,534 0.388,535 0.274,536 0.168,537 22167,538 46089,539 2.158,540 51.4,541 2,542 24,543 1,544 2,545 2,547 2,548 4,550 1.761,551 2.079,552 3.83,553 0.134,559 97.227,560 1.35,561 3.436,562 4.746,563 5.229,564 5.343,565 5.343,566 3.24,567 4.593,568 5.105,569 4.083,570 2429.1,571 8.923,572 41145.2,577 444.235,578 1.15,579 5.086,580 0.154,581 0.004,582 0.063,583 0.029,584 0.028,585 0.023,586 0.013,587 0.009,588 0.009,589 0.006,590 0.338,591 0.17,592 0.75,593 0.676,594 194.487,595 0.116,596 -0.209,597 0.084,598 -0.076,599 0.178,600 -0.011,601 -0.107,602 0.132,603 -0.028,604 0.079,605 0.046,606 0.041,607 -0.083,608 -0.055,609 -0.13,610 -0.106,611 -0.05,612 -0.12,613 0.029,614 -0.056,615 0.023,616 -0.019,617 0.1,618 -0.002,619 0.012,620 -0.017,621 0.04,622 0.02,623 0.048,624 0.03,625 -0.023,626 -0.031,627 -0.024,628 -0.028,629 -0.003,630 -0.026,631 0.069,632 -0.081,633 -0.065,634 -0.115,635 -0.022,636 -0.106,637 0.006,638 -0.044,639 -0.011,640 -0.033,641 -0.083,642 -0.025,643 0.951,644 1.456,645 0.743,646 42.328,647 0.986,648 1.135,649 3.756,650 14.105,651 0.645,652 3.689,653 3.989,654 4.248,655 4.511,656 4.691,657 4.762,658 4.89,659 5.004,660 5.063,661 5.063,662 9.136,663 0.598,664 471.72,665 3.689,666 5.22,667 6.061,668 6.927,669 7.784,670 8.655,671 9.52,672 10.393,673 11.262,674 12.137,675 9.7,677 1,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 72,716 21,717 2,718 39,720 76,721 28,722 16,723 4,724 8,730 5,731 6,740 3,743 6,745 16,746 12,764 37,765 5,766 2,767 7,773 7,777 0.8,788 1,792 2,793 3,796 1,814 1,815 2,819 4,823 2,827 35,833 8,834 1,837 2,838 2,844 1,854 16.833,855 13.083,856 7.694,857 4.441,858 3.457,859 1.417,860 0.993,861 7.822,862 11.754,863 3.922,864 4.477,865 5.048,866 5.627,867 6.062,868 6.387,869 6.827,870 7.231,871 7.421,872 7.616,873 0.9,874 50,875 12.943,877 5.383,878 7.386,879 25.87,881 21.665,883 1.886,884 66,888 411.989,889 151.293,890 76.27,895 151.293,896 411.989,897 76.27,898 16.793,899 18.561,900 102.868,901 74.105,902 36.634,903 13.915,904 376.675,906 411.989,907 227.563,911 341.362,912 70.627,915 78.742,916 115.495,917 33.326,919 411.989,920 76.27,921 151.293,924 411.989,925 32.406,926 127.035,927 34.796,928 33.326,929 411.989,930 76.27,931 151.293,933 0.572,934 0.325,935 0.181,936 0.097,937 25,938 10,939 0.132,940 10,941 1,942 1.077,943 4.81,944 320.104,945 0.077,946 26,947 165.525,951 24.051,952 11.383,953 6.129,954 2.487,955 57.585,956 23.022,957 7.864,958 3.434,961 3.872,962 1.954,963 34.796,964 639.552,965 49.5,975 70.967,976 81.716,977 0.219,978 0.557,979 0.769,980 0.847,981 0.866,982 0.866,983 5.149,984 1.776,985 6.019,986 5.346,987 4.673,988 5.165,989 1.331,990 6.788,991 4.596,992 6.313,993 1.654,994 7.544,995 4.655,996 4.111,997 4.783,998 0.57,999 7.591,1000 3.984,1001 7.588,1002 1.329,1003 9.169,1004 3.824,1005 6.221,1006 7.302,1007 0.831,1008 10.683,1009 6.073,1010 8.901,1011 1.138,1012 10.855,1013 3.479,1014 6.524,1015 7.877,1016 0.479,1017 12.361,1018 6.334,1019 10.251,1020 1.025,1021 12.583,1022 2.608,1023 8.045,1024 9.798,1025 0.532,1026 14.936,1027 7.839,1028 11.629,1029 1,1030 14.339,1031 2.449,1032 8.755,1033 10.842,1034 0.346,1035 16.972,1036 8.517,1037 13.029,1038 1,1039 16.116,1040 2.275,1041 10.031,1042 12.512,1043 0.342,1044 19.371,1045 9.777,1046 3.118,1047 0.891,1048 17.909,1049 2.136,1050 10.942,1051 13.79,1052 0.237,1053 21.562,1054 10.664,1055 2.901,1056 10.431,1057 19.714,1058 2.093,1059 12.112,1060 15.354,1061 0.219,1062 23.9,1063 11.818,1064 2.753,1065 9.238,1066 21.528,1067 4.518,1068 13.122,1069 16.746,1070 0.158,1071 26.16,1072 12.81,1073 2.608,1074 8.884,1075 23.35,1076 3.731,1077 14.25,1078 18.268,1079 0.14,1080 28.481,1081 13.922,1082 2.202,1083 7.339,1084 25.178,1085 3.553,1086 15.309,1087 19.716,1088 0.104,1089 30.772,1090 14.965,1091 2.146,1092 6.375,1093 27.012,1094 2.813,1095 16.422,1096 21.222,1097 0.089,1098 33.091,1099 16.063,1100 2.02,1101 5.994,1102 28.85,1103 2.679,1104 17.506,1105 22.697,1106 0.068,1107 35.399,1108 17.133,1109 20452,1110 29747,1111 26.929,1112 46.461,1113 58.566,1114 57.487,1115 58.218,1116 57.892,1117 57.868,1118 73.256,1119 4.515,1120 160.683,1121 55.621,1122 5.568,1123 5.203,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 11.833,1132 1.502,1133 1.474,1134 1.493,1135 1.484,1136 1.484,1137 1.878,1138 0.116,1139 4.12,1140 1.426,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 5.135,1146 4.07,1147 3.966,1148 4.015,1149 3.883,1150 3.879,1151 4.927,1152 3.875,1153 3.847,1154 3.913,1155 3.79,1156 3.702,1157 4.762,1158 3.7,1159 3.819,1160 3.886,1161 3.724,1162 3.586,1163 4.41,1164 3.623,1165 3.622,1166 3.706,1167 3.483,1168 3.42,1169 4.293,1170 3.425,1171 3.53,1172 3.603,1173 3.378,1174 3.369,1175 4.253,1176 3.365,1177 3.309,1178 3.384,1179 3.198,1180 3.132,1181 4.057,1182 3.138,1183 3.221,1184 3.305,1185 3.06,1186 3.032,1187 3.867,1188 3.025,1189 0.117,1190 0.082,1191 0.168,1192 0.105,1193 0.08,1194 4.568,1195 0.116,1196 3.203,1197 0.021,1198 6.566,1199 0.267,1200 4.099,1201 0.079,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.087,1210 2.075,1211 1.433,1212 2.083,1213 1.937,1214 1.902,1215 2.046,1216 2.049,1217 1.284,1218 2.048,1219 1.831,1220 1.772,1221 2.012,1222 1.985,1223 1.222,1224 1.999,1225 1.665,1226 1.609,1227 1.875,1228 1.837,1229 1.114,1230 1.853,1231 1.577,1232 1.495,1233 1.835,1234 1.813,1235 0.956,1236 1.827,1237 1.409,1238 1.337,1239 1.597,1240 1.668,1241 0.825,1242 1.648,1243 1.336,1244 1.267,1245 1.529,1246 1.556,1247 0.768,1248 1.556,1249 1.215,1250 1.133,1251 1.513,1252 1.442,1253 0.679,1254 1.465,1255 4.369,1257 5.673,1258 3.045,1259 7.159,1260 5.283,1261 8.728,1262 7.286,1263 10.344,1265 4.313,1271 9.216,1272 3.956,1275 0.966,1276 4.916,1280 43.052,1281 97.227,1282 247.387,1283 341.705,1284 376.46,1285 384.725,1286 384.725,1287 47.183,1288 8.298,1289 65.01,1290 65.01,1291 28,1292 12.678,1293 4.459,1294 3.524,1295 52.631,1296 198,1297 151,1298 0.127,1299 263.603,1300 440.8,1301 634.95,1302 57555,1304 24.037,1305 0.687,1306 0.597,1307 24.037,1308 20.898,1309 17.153,1310 0.44,1311 0.328,1312 12.621,1313 16.559,1314 12.279,1315 10.224,1316 17.153,1317 12.786,1318 15.22,1319 0.287,1320 0.189,1321 15.22,1322 10.025,1323 12.549,1324 0.182,1325 0.104,1326 12.549,1327 7.162,1328 10.64,1329 0.118,1330 0.059,1331 10.64,1332 5.274,1333 8.295,1334 0.077,1335 0.035,1336 8.295,1337 3.766,1338 0.209,1339 106.749,1340 0.193,1341 33.075,1342 0.325,1343 184,1344 410.891,1345 196.572,1346 410.048,1347 577.29,1348 388,1349 214,1350 438.462,1351 228.654,1352 451.006,1353 650.42,1354 422,1355 8.824} {0 CHEMBL147838,1 1.326,2 15.029,3 4.761,4 22.668,5 144.763,6 6.602,7 0.525,8 4.35,9 4.492,10 3.841,11 3.893,12 5.275,13 3.847,14 4.947,15 5.15,16 4.186,17 4.341,18 5.764,19 4.26,20 5.261,21 5.515,22 4.198,23 4.522,24 5.952,25 4.386,26 5.357,27 5.624,28 4.17,29 4.576,30 6.024,31 4.412,32 5.416,33 5.701,34 4.143,35 4.584,36 6.046,37 4.401,38 5.406,39 5.704,40 4.073,41 4.523,42 6.034,43 4.336,44 5.294,45 5.594,46 3.953,47 4.389,48 5.947,49 4.2,50 5.154,51 5.461,52 3.739,53 4.224,54 5.783,55 4.029,56 0.105,57 1.102,58 16.89,59 6.558,60 13.564,61 9.613,62 0.285,63 1.855,64 31.696,65 11.219,66 22.075,67 16.878,68 0.319,69 2.294,70 43.739,71 16.014,72 28.069,73 24.07,74 0.349,75 2.445,76 48.163,77 18.292,78 32.029,79 27.206,80 0.332,81 2.505,82 51.196,83 19.854,84 32.694,85 29.465,86 0.385,87 2.445,88 51.173,89 18.766,90 34.379,91 28.311,92 0.372,93 2.186,94 45.861,95 16.551,96 35.255,97 25.072,98 0.364,99 1.878,100 40.126,101 13.767,102 30.547,103 21.151,105 55,106 0.206,107 0.51,108 0.702,109 0.818,110 0.851,111 0.851,112 3.588,113 1,114 -5.94,115 -5.79,116 -5.39,119 40.8,121 7,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 10,176 3,178 14,182 6,186 3,189 11,192 1,193 8,197 1,199 16,203 7,206 1,211 15,215 8,218 1,222 10,226 7,229 2,233 5,236 1,237 6,242 2,244 5,249 2,256 8,259 2215,260 24.706,261 24.706,262 24.706,263 24.706,264 24.706,265 22.292,266 30.83,267 14.854,268 25.147,269 19.811,270 19.811,271 19.811,272 19.811,273 19.811,274 16.263,275 42.25,276 7.071,277 20.547,278 4.824,279 2.868,280 1.631,281 0.884,282 0.676,283 0.676,284 4.313,289 1,290 1195,291 2.828,294 183.585,295 447.247,298 156.425,302 2.201,303 12.55,306 0.75,307 0.5,308 1,309 0.8,310 0.5,311 1,312 1,313 0.79,314 73,315 526,316 4.568,317 3.426,318 6.685,319 4.099,320 3.118,321 4.518,322 0.916,323 10.818,324 3.062,325 4.213,326 3.196,327 6.566,328 4.068,329 3.113,330 3.731,331 0.8,332 10.431,333 2.977,334 4.129,335 2.893,336 6.095,337 3.69,338 2.753,339 3.586,340 0.172,341 8.884,342 2.578,343 3.753,344 2.861,345 5.778,346 3.576,347 2.613,348 2.895,350 7.871,351 2.52,352 3.471,353 2.587,354 5.321,355 3.285,356 2.34,357 2.812,359 6.854,360 2.202,361 3.406,362 2.185,363 5.127,364 3.018,365 2.037,366 2.594,368 6.002,369 1.994,370 3.248,371 1.932,372 4.681,373 2.856,374 1.872,375 2.488,377 4.872,378 1.837,379 3.048,380 1.794,381 4.514,382 2.73,383 1.775,384 2.155,386 4.655,387 1.69,388 2.751,389 1.584,390 4.134,391 2.502,392 1.508,393 1.851,395 3.487,396 1.499,397 2.722,398 1.388,399 3.938,400 2.328,401 1.343,402 1.759,404 3.296,405 1.322,406 2.5,407 1.284,408 3.613,409 2.17,410 1.203,411 1.5,413 2.859,414 1.161,415 2.43,416 1.122,417 3.456,418 2.022,419 1.059,420 1.408,422 2.452,423 1.017,424 2.292,425 1.077,426 3.436,427 2,428 1,429 1.257,431 2.396,432 1,433 2.192,434 1.042,435 3.414,436 1.991,437 1,438 1.15,440 2.275,441 0.99,442 2.118,443 1,444 3.313,445 1.984,446 1,447 1.083,449 2.136,450 0.983,451 16.9,452 0.483,453 0.582,454 0.017,455 41.25,456 1.179,457 18,458 0.514,459 23.25,460 0.664,461 36.052,462 1.03,463 37.7,464 0.531,465 27.587,466 0.788,467 7.514,468 0.215,469 9.834,470 0.281,473 0.278,479 0.893,480 1.397,481 0.891,482 1.144,483 0.652,484 1.039,485 1.261,486 1.135,487 1.057,488 1.039,489 0.805,490 1.031,491 1.068,492 1.017,493 1.036,494 1.018,495 0.716,496 1.023,497 0.862,498 1.008,499 1.047,500 1.079,501 0.73,502 1.08,503 0.627,504 1.011,505 0.944,506 1.066,507 0.719,508 1.039,509 0.808,510 0.95,511 0.946,512 0.986,513 0.748,514 0.98,515 0.794,516 0.993,517 0.952,518 1.016,519 0.808,520 1.002,521 1.095,522 0.871,523 1.023,524 0.927,525 1.113,526 0.961,527 4.5,528 0.112,529 3.778,530 1.694,531 1.139,532 0.972,533 0.602,534 0.289,535 0.192,536 0.154,537 22902,538 45224,539 2.246,540 50.7,541 4,542 18,543 1,544 2,545 1,547 6,548 4,550 1.761,551 2.211,552 3.843,553 -0.43,559 94.124,560 1.326,561 3.282,562 4.519,563 5.266,564 5.474,565 5.474,566 3.248,567 4.729,568 5.105,569 4.052,570 2411.02,571 8.922,572 40015.6,577 436.632,578 0.863,579 5.103,580 0.112,581 0.004,582 0.069,583 0.031,584 0.022,585 0.02,586 0.013,587 0.007,588 0.006,589 0.005,590 0.291,591 0.33,592 0.63,594 193.529,595 0.157,596 -0.161,597 0.096,598 -0.049,599 0.289,600 0.006,601 -0.035,602 0.022,603 -0.053,604 -0.02,605 0.074,606 -0.035,607 -0.108,608 0.006,609 -0.054,610 -0.009,611 0.035,612 -0.024,613 -0.034,614 -0.028,615 -0.077,616 -0.064,617 0.027,618 -0.073,619 0.078,620 -0.084,621 0.017,622 -0.05,623 0.065,624 -0.027,625 0.035,626 -0.027,627 0.028,628 -0.002,629 0.054,630 0.01,631 0.096,632 -0.069,633 0.026,634 -0.041,635 0.064,636 -0.018,637 -0.066,638 0.06,639 -0.032,640 0.023,641 -0.134,642 0.003,643 0.716,644 0.949,645 0.914,646 40.237,647 0.984,648 1.13,649 4.71,650 22.187,651 0.654,652 3.714,653 4.025,654 4.344,655 4.625,656 4.828,657 4.905,658 5.063,659 5.176,660 5.226,661 5.268,662 8.894,663 0.606,664 468.71,665 3.714,666 5.252,667 6.116,668 6.991,669 7.868,670 8.75,671 9.632,672 10.516,673 11.4,674 12.286,675 8.5,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 71,716 21,717 2,718 40,720 76,721 29,722 16,723 4,724 8,730 6,731 7,740 7,743 9,745 16,746 13,764 36,765 4,766 1,767 6,773 6,777 0.833,788 1,792 2,793 4,796 1,815 2,819 5,827 35,833 11,837 2,838 2,844 1,854 15.833,855 12.333,856 7.667,857 4.758,858 3.574,859 1.408,860 1.019,861 6.88,862 12.343,863 3.942,864 4.5,865 5.092,866 5.669,867 6.104,868 6.428,869 6.869,870 7.272,871 7.456,872 7.66,873 0.9,874 54,875 12.983,877 5.533,878 7.329,879 26.273,881 22.794,883 1.829,884 64,888 411.989,889 142.104,890 58.259,895 142.104,896 411.989,897 58.259,899 26.165,900 84.857,901 74.105,902 36.634,903 13.915,904 376.675,906 411.989,907 200.363,911 294.278,912 117.711,915 68.335,916 98.702,917 33.326,919 411.989,920 58.259,921 142.104,924 411.989,925 40.01,926 110.242,927 16.786,928 33.326,929 411.989,930 58.259,931 142.104,933 0.573,934 0.343,935 0.195,936 0.102,937 28,938 10,939 0.092,940 7,941 1,942 1.063,943 4.848,944 334.131,945 0.063,946 32,947 167.525,951 22.816,952 10.554,953 5.029,954 2.513,955 39.575,956 23.417,957 7.882,958 3.449,961 4.029,962 1.963,963 16.786,964 612.352,965 50.5,975 69.865,976 80.218,977 0.216,978 0.534,979 0.735,980 0.856,981 0.89,982 0.89,983 5.178,984 1.775,985 6.071,986 4.872,987 4.71,988 5.187,989 1.242,990 6.872,991 4.639,992 6.337,993 1.508,994 7.613,995 4.655,996 4.111,997 4.783,998 0.57,999 7.751,1000 3.984,1001 7.617,1002 1.343,1003 9.261,1004 3.487,1005 6.282,1006 7.324,1007 0.883,1008 10.88,1009 6.137,1010 8.936,1011 1.203,1012 10.976,1013 3.296,1014 6.608,1015 7.9,1016 0.581,1017 12.652,1018 6.405,1019 10.294,1020 1.059,1021 12.734,1022 2.859,1023 8.154,1024 9.818,1025 0.68,1026 15.263,1027 7.936,1028 11.681,1029 1,1030 14.523,1031 2.452,1032 8.904,1033 10.863,1034 0.515,1035 17.379,1036 8.638,1037 13.089,1038 1,1039 16.333,1040 2.396,1041 10.196,1042 12.528,1043 0.541,1044 19.823,1045 9.911,1046 3.118,1047 1,1048 18.158,1049 2.275,1050 11.147,1051 13.805,1052 0.441,1053 22.079,1054 10.822,1055 3.113,1056 10.818,1057 19.995,1058 2.136,1059 12.334,1060 15.365,1061 0.438,1062 24.467,1063 11.987,1064 2.753,1065 10.431,1066 21.84,1067 4.518,1068 13.378,1069 16.756,1070 0.373,1071 26.782,1072 12.998,1073 2.613,1074 8.884,1075 23.693,1076 3.731,1077 14.524,1078 18.276,1079 0.358,1080 29.151,1081 14.12,1082 2.34,1083 7.871,1084 25.551,1085 3.586,1086 15.611,1087 19.722,1088 0.314,1089 31.493,1090 15.177,1091 2.037,1092 6.854,1093 27.414,1094 2.895,1095 16.743,1096 21.227,1097 0.296,1098 33.857,1099 16.284,1100 1.872,1101 6.002,1102 29.28,1103 2.812,1104 17.852,1105 22.702,1106 0.264,1107 36.211,1108 17.365,1109 20501,1110 29080,1111 28.315,1112 46.455,1113 60.366,1114 59.531,1115 59.982,1116 59.733,1117 59.738,1118 75.114,1119 3.778,1120 168.56,1121 57.689,1122 5.568,1123 5.426,1124 6.487,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.962,1130 5.062,1132 1.509,1133 1.488,1134 1.5,1135 1.493,1136 1.493,1137 1.878,1138 0.094,1139 4.214,1140 1.442,1141 4.156,1142 4.195,1143 4.115,1144 4.064,1145 5.135,1146 4.071,1147 4.001,1148 4.051,1149 3.915,1150 3.906,1151 4.927,1152 3.902,1153 3.848,1154 3.912,1155 3.79,1156 3.717,1157 4.757,1158 3.714,1159 3.821,1160 3.885,1161 3.732,1162 3.595,1163 4.39,1164 3.627,1165 3.696,1166 3.76,1167 3.559,1168 3.549,1169 4.261,1170 3.546,1171 3.514,1172 3.583,1173 3.362,1174 3.376,1175 4.189,1176 3.368,1177 3.285,1178 3.353,1179 3.175,1180 3.123,1181 3.928,1182 3.127,1183 3.123,1184 3.206,1185 2.957,1186 2.994,1187 3.725,1188 2.973,1189 0.114,1190 0.086,1191 0.167,1192 0.102,1193 0.078,1194 4.568,1195 0.113,1196 3.426,1197 0.023,1198 6.685,1199 0.27,1200 4.099,1201 0.077,1202 3.118,1203 4.518,1204 0.916,1205 10.818,1206 3.062,1207 1.97,1208 1.937,1209 2.125,1210 2.106,1211 1.492,1212 2.116,1213 1.959,1214 1.929,1215 2.05,1216 2.052,1217 1.364,1218 2.051,1219 1.836,1220 1.782,1221 2.012,1222 1.986,1223 1.266,1224 2,1225 1.717,1226 1.658,1227 1.931,1228 1.872,1229 1.115,1230 1.895,1231 1.64,1232 1.582,1233 1.861,1234 1.805,1235 1.083,1236 1.827,1237 1.407,1238 1.335,1239 1.588,1240 1.663,1241 0.825,1242 1.643,1243 1.322,1244 1.257,1245 1.513,1246 1.522,1247 0.782,1248 1.527,1249 1.156,1250 1.085,1251 1.489,1252 1.442,1253 0.761,1254 1.429,1255 4.394,1257 5.707,1258 3.045,1259 7.219,1260 5.283,1261 8.82,1262 7.286,1263 10.468,1271 13.859,1275 1.354,1276 5.533,1280 43.03,1281 94.124,1282 233.029,1283 320.858,1284 373.877,1285 388.632,1286 388.632,1287 42.768,1288 8.77,1289 52.98,1290 52.98,1291 34,1292 12.818,1293 4.459,1294 3.524,1295 47.461,1296 193,1297 153,1298 0.118,1299 259.007,1300 434.74,1301 623.738,1302 105974,1304 23.451,1305 0.67,1306 0.586,1307 23.451,1308 20.52,1309 17.348,1310 0.434,1311 0.333,1312 13.198,1313 16.841,1314 12.965,1315 10.68,1316 17.348,1317 13.331,1318 15.101,1319 0.275,1320 0.186,1321 15.101,1322 10.249,1323 13.483,1324 0.177,1325 0.107,1326 13.483,1327 8.143,1328 11.59,1329 0.115,1330 0.062,1331 11.59,1332 6.26,1333 9.212,1334 0.074,1335 0.038,1336 9.212,1337 4.657,1338 0.193,1339 107.27,1340 0.188,1341 32.937,1342 0.303,1343 190,1344 402.558,1345 201.851,1346 401.407,1347 574.91,1348 382,1349 226,1350 446.18,1351 239.794,1352 453.896,1353 663.56,1354 430,1355 8.525} {0 CHEMBL147851,1 1.519,2 17.757,3 2.323,4 5.398,5 145.603,6 6.914,7 0.488,8 4.387,9 4.523,10 3.887,11 3.863,12 5.415,13 3.845,14 4.951,15 5.14,16 4.225,17 4.275,18 5.908,19 4.229,20 5.208,21 5.433,22 4.263,23 4.423,24 6.139,25 4.334,26 5.25,27 5.479,28 4.181,29 4.426,30 6.137,31 4.307,32 5.301,33 5.571,34 4.114,35 4.298,36 6.205,37 4.177,38 5.128,39 5.382,40 3.996,41 4.18,42 6.033,43 4.084,44 4.988,45 5.204,46 3.974,47 4.193,48 5.945,49 4.084,50 5.107,51 5.367,52 3.945,53 4.197,54 5.989,55 4.06,56 0.066,57 1.101,58 16.936,59 6.323,60 12.973,61 9.045,62 0.329,63 1.737,64 31.614,65 10.561,66 30.234,67 15.447,68 0.669,69 2.037,70 42.292,71 14.188,72 56.849,73 20.62,74 0.307,75 2.07,76 43.533,77 15.627,78 46.37,79 22.589,80 0.721,81 1.949,82 48.381,83 14.931,84 76.067,85 22.19,86 0.73,87 1.692,88 40.829,89 11.772,90 60.953,91 17.488,92 0.381,93 1.632,94 33.442,95 11.687,96 47.873,97 16.938,98 0.552,99 1.708,100 38.897,101 13.065,102 61.076,103 19.334,104 18,105 56,106 0.235,107 0.554,108 0.702,109 0.784,110 0.793,111 0.81,112 3.641,113 0.951,114 -1.74,115 -1.8,116 -1.82,119 38.4,121 2,125 9,140 6,141 4,142 2,149 2,150 2,156 1,161 2,162 2,163 2,169 8,171 1,172 4,176 8,178 8,180 2,181 4,182 4,186 8,189 8,191 2,193 2,197 2,199 4,201 2,202 1,203 8,206 2,207 2,208 2,210 2,211 2,213 2,214 2,215 6,220 2,224 2,226 3,228 2,229 2,231 2,235 2,236 1,237 7,240 3,248 1,249 4,259 2798,260 25.687,261 25.687,262 25.687,263 25.687,264 25.687,265 23.298,266 25.839,267 15.387,268 26.296,269 20.188,270 20.188,271 20.188,272 20.188,273 20.188,274 16.383,275 26.72,276 7.147,277 21.14,278 4.671,279 2.613,280 1.655,281 1.123,282 1.068,283 0.959,284 4.351,290 1445,291 4.123,294 214.487,295 369.056,298 373.196,302 2.884,303 32.154,306 0.5,307 0.33,308 0.5,309 0.8,310 0.5,311 0.5,312 0.5,313 0.52,314 80,315 657,316 4.55,317 3.741,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.55,326 3.187,327 6.546,328 4.076,329 3.092,330 4.504,331 0.933,332 10.36,333 3.042,334 3.969,335 3.182,336 6.031,337 3.773,338 2.825,339 3.177,340 0.86,341 8.596,342 2.674,343 3.719,344 2.89,345 5.347,346 3.386,347 2.457,348 3.129,349 0.8,350 6.957,351 2.278,352 3.698,353 2.753,354 5.315,355 3.314,356 2.373,357 3.055,358 0.51,359 6.859,360 2.234,361 3.448,362 2.715,363 5.281,364 3.254,365 2.307,366 2.675,368 6.756,369 2.182,370 3.345,371 2.208,372 5.096,373 2.942,374 1.973,375 2.672,377 5.915,378 1.902,379 3.34,380 2.161,381 5.095,382 2.935,383 1.967,384 2.465,386 5.912,387 1.895,388 2.754,389 2.139,390 4.204,391 2.464,392 1.5,393 1.855,395 3.853,396 1.432,397 2.745,398 1.546,399 4.158,400 2.307,401 1.332,402 1.849,404 3.524,405 1.297,406 2.647,407 1.476,408 4.133,409 2.299,410 1.318,411 1.624,413 3.47,414 1.292,415 2.358,416 1.385,417 3.472,418 2.09,419 1.165,420 1.328,422 2.542,423 1.07,424 2.331,425 1.379,426 3.414,427 2.018,428 1.067,429 1.287,431 2.275,432 1.011,433 2.169,434 1.146,435 3.339,436 1.967,437 1.015,438 1.142,440 2.117,441 0.965,442 2.004,443 1.141,444 3.305,445 1.963,446 1,447 1,449 2.037,450 0.957,451 17.4,452 0.47,453 0.704,454 0.019,455 43.25,456 1.169,457 18.5,458 0.5,459 24.75,460 0.669,461 35.081,462 0.948,463 41.4,464 0.567,465 34.146,466 0.923,467 8.718,468 0.236,469 9.421,470 0.255,471 0.065,473 0.305,479 0.964,480 1.392,481 0.881,482 1.143,483 0.832,484 1.008,485 1.169,486 1.12,487 0.995,488 1.002,489 0.765,490 0.966,491 1.064,492 0.91,493 1.024,494 0.955,495 0.928,496 0.979,497 0.974,498 1.244,499 1.082,500 1.295,501 1.09,502 1.225,503 1.154,504 0.95,505 0.939,506 0.977,507 1.109,508 0.946,509 1.626,510 0.824,511 1.093,512 0.795,513 1.271,514 0.864,515 1.046,516 1.22,517 1.154,518 1.254,519 1.213,520 1.233,521 0.849,522 1.046,523 0.967,524 1.076,525 0.965,526 1.056,527 6.5,528 0.105,529 4.222,530 1.958,531 1.569,532 1.202,533 0.576,534 0.351,535 0.428,536 0.284,537 27265,538 62864,539 2.133,540 49.3,542 24,543 2,545 6,547 4,550 1.772,551 2.037,552 4.059,553 3.006,559 110.869,560 1.519,561 3.576,562 4.535,563 5.067,564 5.121,565 5.231,566 3.473,567 4.993,568 5.183,569 4.28,570 2850.8,571 9.065,572 51927.1,577 451.857,578 1.241,579 5.159,580 0.159,581 0.003,582 0.075,583 0.035,584 0.032,585 0.027,586 0.014,587 0.009,588 0.011,589 0.008,590 0.373,591 0.17,592 0.63,593 0.89,594 211.524,595 -0.08,596 -0.101,597 0.051,598 -0.015,599 -0.084,600 0.035,601 -0.108,602 0.041,603 -0.021,604 0.042,605 -0.032,606 0.032,607 0.02,608 0.134,609 -0.038,610 0.063,611 0.008,612 0.015,613 -0.053,614 -0.239,615 -0.122,616 -0.245,617 -0.076,618 -0.201,619 0.07,620 -0.052,621 0.082,622 -0.021,623 0.037,624 0.02,625 -0.176,626 0.118,627 -0.047,628 0.145,629 -0.125,630 0.077,631 -0.034,632 -0.176,633 -0.185,634 -0.21,635 -0.062,636 -0.222,637 0.123,638 -0.105,639 0.015,640 -0.075,641 0.064,642 -0.056,643 1.652,644 5.744,645 0.649,646 51.233,647 0.998,648 1.135,649 0.506,650 0.256,651 0.641,652 3.738,653 4.043,654 4.331,655 4.585,656 4.779,657 4.844,658 4.927,659 4.99,660 4.997,661 5.081,662 10.243,663 0.605,664 504.7,665 3.738,666 5.273,667 6.125,668 6.995,669 7.863,670 8.738,671 9.612,672 10.489,673 11.366,674 12.244,675 8.2,676 2,678 1,682 1,683 2,687 4,688 8,690 2,693 4,695 20,712 2,714 73,716 21,717 2,718 41,720 77,721 28,722 16,723 6,724 6,730 5,731 7,736 2,743 2,745 17,746 11,750 1,755 1,759 1,764 36,765 7,766 6,767 9,773 6,777 0.6,778 3,788 2,792 2,793 3,796 2,806 1,812 2,815 1,819 3,827 37,828 2,833 11,835 2,838 2,847 4.1,850 1,852 2,854 18.167,855 12.483,856 8.306,857 4.397,858 3.809,859 1.442,860 1.011,861 8.559,862 12.425,863 3.97,864 4.559,865 5.172,866 5.773,867 6.259,868 6.572,869 6.92,870 7.243,871 7.086,872 7.157,873 0.917,874 56,875 13.73,877 5.807,878 7.622,879 26.736,881 22.227,883 2.122,884 78.5,888 353.133,889 134.943,890 105.614,892 47.145,895 134.943,896 400.278,897 105.614,899 97.912,900 74.952,901 29.85,902 80.699,903 27.83,904 329.591,906 353.133,907 240.557,908 47.145,911 306.049,912 94.229,915 134.608,916 105.949,919 353.133,920 152.759,921 134.943,924 353.133,925 59.991,926 81.201,927 33.571,928 112.939,929 353.133,930 152.759,931 134.943,933 0.57,934 0.338,935 0.187,936 0.103,937 26,938 11,939 0.143,940 11,941 2,942 1.167,943 5.017,944 338.795,945 0.167,946 24,947 188.75,951 25.915,952 12.22,953 6.235,954 4.405,955 119.188,956 15.98,958 6.538,961 3.941,963 99.365,964 640.835,965 52,970 12.744,974 0.014,975 72.847,976 82.846,977 0.245,978 0.578,979 0.733,980 0.819,981 0.827,982 0.845,983 5.204,984 1.967,985 6.089,986 5.915,987 4.727,988 5.247,989 2.548,990 6.88,991 4.643,992 6.388,993 1.5,994 7.632,995 5.912,996 4.205,997 5.075,998 1.738,999 7.735,1000 4.105,1001 7.689,1002 1.332,1003 9.274,1004 3.853,1005 6.301,1006 7.481,1007 3.366,1008 10.823,1009 6.15,1010 9.031,1011 1.318,1012 10.976,1013 3.524,1014 6.648,1015 8.229,1016 3.296,1017 12.539,1018 6.491,1019 10.41,1020 1.165,1021 12.717,1022 3.47,1023 8.158,1024 10.085,1025 4.567,1026 15.121,1027 7.96,1028 11.816,1029 1.067,1030 14.485,1031 2.542,1032 8.908,1033 11.252,1034 4.854,1035 17.194,1036 8.71,1037 13.243,1038 1.015,1039 16.274,1040 2.275,1041 10.18,1042 12.897,1043 5.902,1044 19.609,1045 9.952,1046 3.092,1047 1,1048 18.078,1049 2.117,1050 11.124,1051 14.255,1052 6.37,1053 21.833,1054 10.893,1055 3.092,1056 10.36,1057 19.893,1058 2.037,1059 12.298,1060 15.816,1061 7.288,1062 24.191,1063 12.045,1064 2.825,1065 10.36,1066 21.719,1067 4.504,1068 13.334,1069 17.258,1070 7.856,1071 26.478,1072 13.076,1073 2.457,1074 8.596,1075 23.553,1076 4.504,1077 14.47,1078 18.785,1079 8.696,1080 28.819,1081 14.195,1082 2.373,1083 6.957,1084 25.393,1085 3.177,1086 15.549,1087 20.263,1088 9.324,1089 31.133,1090 15.266,1091 2.307,1092 6.859,1093 27.239,1094 3.129,1095 16.671,1096 21.777,1097 10.117,1098 33.468,1099 16.374,1100 1.973,1101 6.756,1102 29.09,1103 3.055,1104 17.771,1105 23.27,1106 10.781,1107 35.794,1108 17.464,1109 25233,1110 38460,1111 28.027,1112 46.819,1113 60.922,1114 61.938,1115 62.451,1116 60.519,1117 60.566,1118 77.065,1119 10.317,1120 170.683,1121 57.924,1122 5.55,1123 5.741,1124 6.313,1125 5.17,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 15.226,1132 1.486,1133 1.511,1134 1.523,1135 1.476,1136 1.477,1137 1.88,1138 0.252,1139 4.163,1140 1.413,1141 4.149,1142 4.182,1143 4.106,1144 4.06,1145 7.427,1146 4.068,1147 4.112,1148 4.143,1149 4.072,1150 4.027,1151 5.054,1152 4.035,1153 3.867,1154 3.935,1155 3.768,1156 3.655,1157 5.021,1158 3.672,1159 3.61,1160 3.655,1161 3.515,1162 3.437,1163 4.96,1164 3.443,1165 3.568,1166 3.632,1167 3.452,1168 3.422,1169 4.953,1170 3.42,1171 3.496,1172 3.569,1173 3.359,1174 3.283,1175 4.589,1176 3.297,1177 3.402,1178 3.469,1179 3.254,1180 3.161,1181 4.562,1182 3.174,1183 3.3,1184 3.371,1185 3.18,1186 3.085,1187 4.313,1188 3.095,1189 0.111,1190 0.091,1191 0.16,1192 0.099,1193 0.075,1194 4.55,1195 0.11,1196 3.741,1197 0.05,1198 6.546,1199 0.253,1200 4.076,1201 0.074,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.937,1208 1.919,1209 2.027,1210 2.05,1211 1.314,1212 2.043,1213 1.936,1214 1.918,1215 2.02,1216 2.025,1217 1.225,1218 2.023,1219 1.789,1220 1.721,1221 1.984,1222 1.997,1223 1.224,1224 1.998,1225 1.649,1226 1.591,1227 1.852,1228 1.846,1229 1.025,1230 1.854,1231 1.648,1232 1.59,1233 1.851,1234 1.846,1235 1.017,1236 1.853,1237 1.456,1238 1.405,1239 1.689,1240 1.718,1241 0.955,1242 1.705,1243 1.314,1244 1.253,1245 1.551,1246 1.601,1247 0.825,1248 1.59,1249 1.277,1250 1.188,1251 1.52,1252 1.559,1253 0.719,1254 1.556,1255 4.419,1257 5.727,1258 3.045,1259 7.225,1260 5.416,1261 8.811,1262 7.516,1263 10.445,1269 11.437,1271 7.355,1273 11.875,1276 4.211,1280 44.175,1281 110.869,1282 261.079,1283 331.044,1284 369.857,1285 373.857,1286 381.857,1287 63.995,1288 8.616,1289 125.63,1290 125.63,1291 28,1292 12.782,1293 4.459,1294 3.585,1295 57.406,1296 234,1297 206,1298 0.116,1299 268.797,1300 456.17,1301 647.625,1302 92276,1304 25.614,1305 0.692,1306 0.572,1307 25.614,1308 21.171,1309 18.14,1310 0.442,1311 0.317,1312 12.798,1313 17.376,1314 12.584,1315 10.333,1316 18.14,1317 13.002,1318 15.725,1319 0.281,1320 0.169,1321 15.725,1322 9.48,1323 13.611,1324 0.181,1325 0.094,1326 13.611,1327 7.069,1328 11.332,1329 0.117,1330 0.051,1331 11.332,1332 4.969,1333 9.06,1334 0.077,1335 0.028,1336 9.06,1337 3.297,1338 0.194,1339 114.035,1340 0.189,1341 34.993,1342 0.29,1343 194,1344 517.787,1345 212.626,1346 494.428,1347 683.8,1348 468,1349 228,1350 504.264,1351 247.405,1352 507.038,1353 745.56,1354 480,1355 9.796} {0 CHEMBL147853,1 1.428,2 15.706,3 3.09,4 9.547,5 138.374,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.302,13 3.787,14 4.874,15 5.07,16 4.119,17 4.253,18 5.76,19 4.179,20 5.173,21 5.425,22 4.104,23 4.409,24 5.954,25 4.276,26 5.267,27 5.54,28 4.047,29 4.427,30 6.004,31 4.266,32 5.272,33 5.557,34 4.035,35 4.387,36 6.001,37 4.223,38 5.25,39 5.535,40 4.014,41 4.328,42 6.036,43 4.18,44 5.166,45 5.447,46 3.943,47 4.265,48 5.964,49 4.114,50 5.07,51 5.353,52 3.765,53 4.194,54 5.781,55 4.02,56 0.103,57 1.046,58 15.933,59 6.109,60 13.614,61 8.832,62 0.275,63 1.705,64 29.163,65 10.296,66 24.079,67 15.298,68 0.373,69 2.06,70 40.248,71 14.239,72 34.962,73 21.466,74 0.373,75 2.138,76 44.633,77 16.13,78 41.836,79 24.079,80 0.343,81 2.095,82 45.077,83 16.143,84 39.499,85 24.248,86 0.453,87 2.015,88 44.782,89 14.851,90 48.811,91 22.415,92 0.495,93 1.887,94 41.101,95 13.696,96 49.953,97 20.692,98 0.341,99 1.746,100 36.832,101 12.657,102 32.629,103 19.332,104 3,105 51,106 0.224,107 0.564,108 0.756,109 0.835,110 0.855,111 0.855,112 3.56,113 0.976,114 -4.79,115 -4.7,116 -4.41,119 39.7,121 5,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 6,178 14,182 3,185 1,186 5,189 10,193 6,195 1,197 4,199 8,203 6,206 1,208 6,211 6,215 5,218 1,220 4,222 7,226 4,229 3,231 2,233 6,236 1,237 5,242 3,244 5,249 2,254 2,256 4,259 2166,260 23.817,261 23.817,262 23.817,263 23.817,264 23.817,265 21.378,266 28.663,267 14.374,268 24.238,269 18.763,270 18.763,271 18.763,272 18.763,273 18.763,274 15.19,275 37.699,276 6.816,277 19.471,278 4.66,279 2.5,280 1.272,281 0.769,282 0.647,283 0.647,284 4.272,289 1,290 1186,291 3.606,294 188.494,295 361.368,298 161.505,302 2.464,303 18.783,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 72,315 534,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.978,327 6.095,328 3.718,329 2.758,330 3.731,331 0.4,332 8.884,333 2.664,334 3.942,335 2.886,336 5.676,337 3.689,338 2.748,339 3.457,341 7.967,342 2.578,343 3.687,344 2.828,345 5.438,346 3.545,347 2.577,348 2.813,350 7.25,351 2.494,352 3.444,353 2.528,354 5.202,355 3.256,356 2.305,357 2.704,359 6.576,360 2.183,361 3.379,362 2.191,363 5.125,364 3.028,365 2.047,366 2.592,368 6.001,369 2.005,370 3.248,371 2.097,372 4.82,373 2.914,374 1.947,375 2.425,377 5.432,378 1.875,379 3.037,380 1.794,381 4.514,382 2.73,383 1.775,384 2.112,386 4.655,387 1.69,388 2.804,389 1.525,390 4.133,391 2.412,392 1.417,393 1.881,395 3.481,396 1.409,397 2.74,398 1.37,399 3.586,400 2.31,401 1.326,402 1.839,404 3.023,405 1.304,406 2.5,407 1.171,408 3.471,409 2.088,410 1.123,411 1.5,413 2.533,414 1.081,415 2.426,416 1.077,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.255,425 1.02,426 3.317,427 1.984,428 1,429 1.196,431 2.136,432 0.983,433 2.118,434 1,435 3.247,436 1.861,437 0.896,438 1,440 2.098,441 0.862,442 2,443 0.923,444 3.179,445 1.565,446 0.618,447 0.927,449 1.472,450 0.58,451 16.233,452 0.477,453 0.564,454 0.017,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 32.817,462 0.965,463 37.167,464 0.547,465 27.991,466 0.823,467 7.734,468 0.227,469 9.046,470 0.266,471 0.021,473 0.265,479 0.963,480 1.363,481 0.898,482 1.12,483 0.877,484 1.022,485 1.102,486 1.151,487 1.059,488 1.061,489 0.871,490 1.053,491 0.891,492 1.028,493 1.057,494 1.052,495 0.681,496 1.065,497 0.848,498 1.004,499 1.009,500 1.062,501 0.849,502 1.058,503 0.736,504 1.023,505 0.901,506 1.047,507 0.754,508 1.003,509 1.2,510 0.94,511 0.954,512 0.935,513 1.326,514 0.928,515 1.103,516 0.926,517 0.992,518 0.943,519 1.265,520 0.961,521 0.868,522 0.976,523 1.078,524 1.051,525 0.79,526 1.077,527 5.5,528 0.115,529 2.889,530 1.444,531 1.157,532 0.819,533 0.647,534 0.249,535 0.208,536 0.181,537 21322,538 47356,539 2.182,540 50,541 2,542 18,543 1,544 2,545 3,547 4,548 4,550 1.753,551 2.125,552 3.914,553 0.782,559 97.082,560 1.428,561 3.587,562 4.815,563 5.319,564 5.44,565 5.44,566 3.363,567 4.514,568 5.061,569 4.125,570 2313.97,571 8.83,572 38684.3,577 413.947,578 1.012,579 5.053,580 0.145,581 0.004,582 0.057,583 0.03,584 0.026,585 0.019,586 0.015,587 0.006,588 0.007,589 0.006,590 0.316,591 0.17,592 0.88,593 0.449,594 188.133,595 0.02,596 -0.108,597 0.064,598 -0.012,599 0.022,600 0.02,601 -0.079,602 0.015,603 -0.081,604 -0.023,605 -0.054,606 -0.05,607 -0.047,608 0.002,609 -0.089,610 -0.04,611 0.013,612 -0.063,613 -0.021,614 -0.048,615 -0.042,616 -0.053,617 -0.014,618 -0.052,619 0.072,620 -0.1,621 0.067,622 -0.048,623 0.092,624 0.001,625 -0.039,626 -0.019,627 0.048,628 0.031,629 -0.014,630 0.045,631 0.021,632 0.015,633 0.007,634 0.025,635 -0.048,636 0.012,637 -0.062,638 -0.011,639 -0.107,640 -0.071,641 -0.104,642 -0.089,643 1.321,644 3.84,645 0.765,646 43.042,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.951,654 4.22,655 4.466,656 4.635,657 4.691,658 4.828,659 4.949,660 4.984,661 5.024,662 9.25,663 0.606,664 458.67,665 3.664,666 5.187,667 6.028,668 6.887,669 7.741,670 8.605,671 9.466,672 10.333,673 11.198,674 12.069,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 7,745 16,746 11,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 34,832 1,833 9,834 1,837 2,838 1,844 1,847 1.5,848 1,854 16,855 11.583,856 7.583,857 4.25,858 3.48,859 1.422,860 0.982,861 7.592,862 11.736,863 3.902,864 4.454,865 5.029,866 5.604,867 6.032,868 6.351,869 6.793,870 7.212,871 7.395,872 7.609,873 1,874 48,875 12.588,877 5.302,878 7.485,879 24.974,881 21.09,883 1.985,884 67.5,888 364.904,889 134.929,890 73.146,892 42.683,895 134.929,896 407.588,897 73.146,899 18.99,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 208.075,908 42.683,911 270.735,912 94.169,913 42.683,915 76.047,916 98.702,917 33.326,919 364.904,920 115.829,921 134.929,924 364.904,925 32.835,926 107.118,927 34.796,928 76.009,929 364.904,930 115.829,931 134.929,933 0.568,934 0.332,935 0.181,936 0.094,937 24,938 9,939 0.139,940 10,941 1,942 1.077,943 4.809,944 304.087,945 0.077,946 26,947 160.974,951 23.097,952 11.175,953 5.892,954 2.454,955 97.144,956 22.487,957 7.835,958 3.413,961 3.729,962 1.94,963 77.48,964 615.663,965 48.5,975 67.309,976 77.012,977 0.235,978 0.589,979 0.791,980 0.874,981 0.894,982 0.894,983 5.119,984 1.775,985 5.974,986 5.432,987 4.635,988 5.142,989 0.824,990 6.73,991 4.564,992 6.278,993 1.417,994 7.489,995 4.655,996 4.007,997 4.732,998 0.325,999 7.496,1000 3.899,1001 7.551,1002 1.326,1003 9.103,1004 3.481,1005 6.172,1006 7.283,1007 0.413,1008 10.583,1009 6.035,1010 8.861,1011 1.123,1012 10.777,1013 3.023,1014 6.431,1015 7.846,1016 0.268,1017 12.228,1018 6.254,1019 10.209,1020 1,1021 12.492,1022 2.533,1023 7.976,1024 9.778,1025 0.246,1026 14.794,1027 7.78,1028 11.584,1029 1,1030 14.235,1031 2.275,1032 8.655,1033 10.817,1034 0.188,1035 16.814,1036 8.425,1037 12.981,1038 0.896,1039 16,1040 2.136,1041 9.94,1042 12.493,1043 0.157,1044 19.21,1045 9.693,1046 3.118,1047 0.618,1048 17.781,1049 2.098,1050 10.831,1051 13.77,1052 0.125,1053 21.398,1054 10.557,1055 2.758,1056 10.431,1057 19.575,1058 1.472,1059 12.003,1060 15.337,1061 0.102,1062 23.739,1063 11.714,1064 2.748,1065 8.884,1066 21.379,1067 4.518,1068 13.001,1069 16.73,1070 0.082,1071 26.003,1072 12.692,1073 2.577,1074 7.967,1075 23.193,1076 3.731,1077 14.128,1078 18.254,1079 0.067,1080 28.331,1081 13.804,1082 2.305,1083 7.25,1084 25.015,1085 3.457,1086 15.18,1087 19.704,1088 0.054,1089 30.631,1090 14.84,1091 2.047,1092 6.576,1093 26.844,1094 2.813,1095 16.293,1096 21.212,1097 0.043,1098 32.959,1099 15.939,1100 1.947,1101 6.001,1102 28.678,1103 2.704,1104 17.374,1105 22.689,1106 0.035,1107 35.277,1108 17.006,1109 19550,1110 29327,1111 26.523,1112 44.148,1113 56.07,1114 56.019,1115 56.246,1116 55.667,1117 55.73,1118 71.094,1119 2.4,1120 153.336,1121 53.733,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 8.167,1132 1.476,1133 1.474,1134 1.48,1135 1.465,1136 1.467,1137 1.871,1138 0.063,1139 4.035,1140 1.414,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 6.456,1146 4.07,1147 3.952,1148 4,1149 3.864,1150 3.873,1151 5.135,1152 3.866,1153 3.859,1154 3.918,1155 3.79,1156 3.715,1157 4.927,1158 3.714,1159 3.823,1160 3.895,1161 3.742,1162 3.587,1163 4.752,1164 3.624,1165 3.601,1166 3.667,1167 3.47,1168 3.426,1169 4.398,1170 3.429,1171 3.487,1172 3.55,1173 3.34,1174 3.344,1175 4.258,1176 3.336,1177 3.28,1178 3.348,1179 3.167,1180 3.118,1181 4.105,1182 3.121,1183 3.111,1184 3.206,1185 2.908,1186 2.941,1187 3.893,1188 2.91,1189 0.12,1190 0.084,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.196,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.084,1210 2.068,1211 1.434,1212 2.077,1213 1.931,1214 1.898,1215 2.05,1216 2.047,1217 1.289,1218 2.046,1219 1.843,1220 1.783,1221 2.021,1222 1.992,1223 1.243,1224 2.008,1225 1.67,1226 1.614,1227 1.878,1228 1.841,1229 1.116,1230 1.857,1231 1.532,1232 1.473,1233 1.759,1234 1.741,1235 0.958,1236 1.748,1237 1.405,1238 1.334,1239 1.585,1240 1.658,1241 0.825,1242 1.639,1243 1.315,1244 1.25,1245 1.513,1246 1.515,1247 0.756,1248 1.522,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.582,1254 1.429,1255 4.344,1257 5.638,1258 3.045,1259 7.119,1260 5.283,1261 8.682,1262 7.286,1263 10.291,1270 9.84,1271 8.904,1272 3.698,1275 0.616,1276 2.584,1280 41.218,1281 97.082,1282 243.945,1283 327.418,1284 361.683,1285 369.947,1286 369.947,1287 49.557,1288 8.256,1289 82,1290 82,1291 28,1292 12.613,1293 4.459,1294 3.524,1295 50.478,1296 194,1297 170,1298 0.124,1299 251.212,1300 421.29,1301 604.718,1302 56246,1304 23.167,1305 0.681,1306 0.577,1307 23.167,1308 19.606,1309 16.78,1310 0.442,1311 0.325,1312 12.219,1313 16.22,1314 11.998,1315 9.909,1316 16.78,1317 12.365,1318 14.446,1319 0.283,1320 0.184,1321 14.446,1322 9.368,1323 12.458,1324 0.186,1325 0.104,1326 12.458,1327 6.993,1328 10.315,1329 0.12,1330 0.059,1331 10.315,1332 5.092,1333 8.016,1334 0.079,1335 0.035,1336 8.016,1337 3.581,1338 0.205,1339 104.439,1340 0.194,1341 32.509,1342 0.314,1343 178,1344 417.396,1345 190.596,1346 411.893,1347 575.43,1348 390,1349 207,1350 430.569,1351 220.846,1352 438.972,1353 635.06,1354 414,1355 7.854} {0 CHEMBL147901,1 1.549,2 15.625,3 2.16,4 4.666,5 124.656,6 7.141,7 0.571,8 4.209,9 4.342,10 3.726,11 3.697,12 5.3,13 3.685,14 4.734,15 4.906,16 4.05,17 4.088,18 5.774,19 4.046,20 4.97,21 5.187,22 4.065,23 4.186,24 5.983,25 4.109,26 4.958,27 5.174,28 3.979,29 4.172,30 5.904,31 4.074,32 4.986,33 5.231,34 3.937,35 4.071,36 6.003,37 3.964,38 4.91,39 5.156,40 3.779,41 3.953,42 5.89,43 3.858,44 4.761,45 4.997,46 3.717,47 3.877,48 5.782,49 3.777,50 4.75,51 5.001,52 3.666,53 3.791,54 5.761,55 3.691,56 0.073,57 0.908,58 13.564,59 5.244,60 13.448,61 7.2,62 0.247,63 1.389,64 24.481,65 9.006,66 30.402,67 12.448,68 0.581,69 1.589,70 33.101,71 11.258,72 59.211,73 15.905,74 0.276,75 1.593,76 31.958,77 11.474,78 37.503,79 16.273,80 0.527,81 1.531,82 34.283,83 11.335,84 62.44,85 16.509,86 0.608,87 1.375,88 32.687,89 9.523,90 58.119,91 13.88,92 0.364,93 1.243,94 27.094,95 8.801,96 44.729,97 12.836,98 0.373,99 1.169,100 27.432,101 8.769,102 48.769,103 12.674,104 18,105 47,106 0.249,107 0.596,108 0.744,109 0.789,110 0.799,111 0.821,112 3.501,113 0.926,114 -2.06,115 -2.1,116 -2.09,119 39.3,121 2,125 5,140 6,141 4,142 2,149 2,150 2,156 1,161 2,162 2,163 2,169 8,172 4,174 1,176 8,178 8,180 2,181 1,182 4,184 2,186 8,189 8,191 2,193 2,197 2,199 4,201 2,202 1,203 4,206 2,207 2,208 6,210 2,211 2,213 2,214 1,215 2,220 6,224 2,226 3,228 2,229 2,231 4,235 2,237 7,240 1,241 2,242 2,249 5,259 1844,260 22.17,261 22.17,262 22.17,263 22.17,264 22.17,265 19.757,266 19.622,267 13.474,268 22.611,269 17.244,270 17.244,271 17.244,272 17.244,273 17.244,274 13.41,275 16.887,276 6.265,277 17.932,278 4.382,279 2.217,280 1.295,281 1.016,282 0.951,283 0.82,284 4.201,288 1,289 1,290 1087,291 4.123,294 176.805,295 195.464,298 308.126,302 2.297,303 29.398,306 0.75,307 0.67,308 0.67,309 0.7,310 0.5,311 0.67,312 0.5,313 0.64,314 69.5,315 500,316 4.55,317 3.607,318 6.546,319 4.076,320 3.092,321 4.504,322 2.03,323 10.36,324 3.043,325 4.55,326 3.187,327 6.546,328 4.076,329 3.092,330 4.504,331 0.892,332 10.36,333 3.042,334 3.763,335 3.18,336 5.34,337 3.432,338 2.473,339 3.142,340 0.86,341 6.93,342 2.37,343 3.714,344 2.775,345 5.317,346 3.324,347 2.385,348 3.129,349 0.141,350 6.863,351 2.24,352 3.59,353 2.728,354 5.109,355 3.227,356 2.243,357 2.804,359 6.037,360 2.19,361 3.346,362 2.172,363 5.096,364 2.945,365 1.975,366 2.674,368 5.914,369 1.905,370 3.34,371 2.159,372 4.981,373 2.928,374 1.959,375 2.665,377 5.85,378 1.89,379 2.752,380 1.79,381 4.159,382 2.386,383 1.444,384 1.856,386 3.541,387 1.351,388 2.743,389 1.476,390 4.156,391 2.303,392 1.325,393 1.846,395 3.509,396 1.295,397 2.517,398 1.393,399 3.604,400 2.29,401 1.309,402 1.51,404 2.984,405 1.281,406 2.337,407 1.379,408 3.349,409 2.026,410 1.081,411 1.299,413 2.157,414 1.018,415 2.307,416 1.209,417 3.319,418 2.009,419 1.057,420 1.265,422 2.083,423 1.003,424 2.016,425 1.132,426 3.159,427 1.697,428 0.776,429 0.924,431 1.647,432 0.707,433 1.976,434 1.049,435 3.034,436 1.613,437 0.659,438 0.85,440 1.346,441 0.626,442 1.76,443 0.742,444 3.003,445 1.445,446 0.525,447 0.631,449 1.131,450 0.48,451 15,452 0.469,453 0.585,454 0.018,455 39.25,456 1.227,457 18.5,458 0.578,459 20.75,460 0.648,461 26.73,462 0.835,463 35.4,464 0.58,465 30.082,466 0.94,467 8.023,468 0.251,469 7.65,470 0.239,471 0.076,473 0.3,479 0.983,480 1.218,481 0.871,482 1.042,483 0.866,484 0.936,485 1.072,486 1.133,487 0.959,488 1.064,489 0.772,490 1.002,491 1.08,492 0.916,493 0.987,494 0.927,495 1.006,496 0.944,497 1.014,498 1.197,499 1.084,500 1.221,501 0.91,502 1.177,503 0.837,504 1.092,505 0.954,506 1.142,507 0.871,508 1.084,509 1.491,510 0.95,511 1.133,512 0.906,513 1.26,514 0.958,515 1.047,516 1.134,517 1.061,518 1.145,519 1.051,520 1.114,521 1.094,522 1.039,523 0.957,524 1.079,525 1.267,526 1.019,527 5.5,528 0.118,529 3.333,530 1.708,531 1.467,532 0.792,533 0.496,534 0.389,535 0.196,536 0.227,537 17581,538 43120,539 2.101,540 47.5,542 16,543 2,545 7,547 4,550 1.736,551 2,552 3.882,553 4.031,555 1,559 94.49,560 1.549,561 3.714,562 4.635,563 4.914,564 4.98,565 5.111,566 3.304,567 4.75,568 4.977,569 4.087,570 2027.05,571 8.651,572 32890.3,574 1,577 361.775,578 1.259,579 4.947,580 0.157,581 0.005,582 0.071,583 0.037,584 0.036,585 0.021,586 0.015,587 0.013,588 0.007,589 0.009,590 0.371,591 0.17,592 0.88,593 0.976,594 174.547,595 -0.12,596 0.044,597 0.024,598 0.054,599 -0.126,600 0.071,601 -0.073,602 -0.005,603 -0.022,604 -0.001,605 -0.028,607 0.026,608 0.095,609 -0.006,610 0.087,611 -0.02,612 0.044,613 -0.096,614 -0.178,615 -0.133,616 -0.184,617 -0.093,618 -0.168,619 0.189,620 -0.138,621 0.036,622 -0.157,623 0.128,624 -0.098,625 -0.147,626 -0.013,627 -0.096,628 0.036,629 -0.121,630 -0.014,631 0.008,632 -0.152,633 -0.073,634 -0.16,635 0.051,636 -0.135,637 0.052,638 -0.117,639 0.056,640 -0.111,641 0.052,642 -0.044,643 1.865,644 5.137,645 0.563,646 36.203,647 1.002,648 1.133,649 0.826,650 0.682,651 0.648,652 3.584,653 3.871,654 4.143,655 4.407,656 4.585,657 4.635,658 4.718,659 4.771,660 4.654,661 4.635,662 9.075,663 0.616,664 435.58,665 3.584,666 5.106,667 5.948,668 6.815,669 7.678,670 8.553,671 9.426,672 10.304,673 11.181,674 12.061,675 8.2,676 2,682 1,683 2,687 4,688 8,690 2,693 4,695 20,712 2,714 61,716 21,717 2,718 35,720 64,721 24,722 16,723 6,724 6,730 4,731 6,736 2,743 2,745 17,746 7,750 1,755 1,759 1,761 1,764 29,765 6,766 7,767 8,773 5,777 0.5,778 3,788 2,792 2,793 2,796 2,805 1,812 2,819 2,827 32,828 2,833 7,834 1,835 2,847 4.9,850 1,852 2,854 16,855 10.333,856 7.278,857 3.535,858 3.824,859 1.483,860 1.01,861 7.574,862 11.733,863 3.85,864 4.46,865 5.089,866 5.718,867 6.216,868 6.53,869 6.887,870 7.21,871 7,872 7.009,873 1,874 46,875 11.824,877 4.952,878 7.719,879 22.688,881 18.465,883 2.219,884 71,888 258.964,889 126.52,890 117.376,892 47.145,895 126.52,896 306.109,897 117.376,899 104.376,900 74.952,901 29.85,902 77.575,903 27.83,904 235.422,906 258.964,907 243.896,908 47.145,911 211.88,912 94.229,915 137.947,916 105.949,919 258.964,920 164.521,921 126.52,924 258.964,925 51.568,926 74.952,927 51.582,928 112.939,929 258.964,930 164.521,931 126.52,933 0.563,934 0.329,935 0.186,936 0.104,937 21,938 9,939 0.172,940 11,941 2,942 1.222,943 4.562,944 271.623,945 0.222,946 18,947 160,951 22.516,952 10.764,953 5.585,954 4.254,955 130.95,956 15.55,958 6.457,961 3.72,963 117.376,964 550.005,965 46,970 12.137,974 -0.198,975 61.094,976 69.102,977 0.261,978 0.626,979 0.782,980 0.829,981 0.84,982 0.862,983 5.063,984 1.444,985 5.905,986 5.85,987 4.554,988 5.147,989 2.414,990 6.688,991 4.484,992 6.259,993 1.325,994 7.44,995 3.541,996 4.007,997 4.997,998 1.593,999 7.535,1000 3.949,1001 7.564,1002 1.309,1003 9.076,1004 3.509,1005 6.111,1006 7.425,1007 3.307,1008 10.637,1009 5.993,1010 8.914,1011 1.081,1012 10.775,1013 2.984,1014 6.447,1015 8.186,1016 3.201,1017 12.371,1018 6.342,1019 10.301,1020 1.057,1021 12.516,1022 2.157,1023 7.963,1024 10.054,1025 4.503,1026 14.969,1027 7.814,1028 11.714,1029 0.776,1030 14.286,1031 2.083,1032 8.717,1033 11.229,1034 4.75,1035 17.066,1036 8.575,1037 13.149,1038 0.659,1039 16.078,1040 1.647,1041 9.994,1042 12.881,1043 5.815,1044 19.497,1045 9.823,1046 3.092,1047 0.525,1048 17.888,1049 1.346,1050 10.948,1051 14.243,1052 6.248,1053 21.741,1054 10.778,1055 3.092,1056 10.36,1057 19.711,1058 1.131,1059 12.129,1060 15.808,1061 7.175,1062 24.113,1063 11.938,1064 2.473,1065 10.36,1066 21.545,1067 4.504,1068 13.177,1069 17.252,1070 7.714,1071 26.414,1072 12.979,1073 2.385,1074 6.93,1075 23.388,1076 4.504,1077 14.321,1078 18.781,1079 8.557,1080 28.765,1081 14.107,1082 2.243,1083 6.863,1084 25.237,1085 3.142,1086 15.412,1087 20.26,1088 9.16,1089 31.089,1090 15.187,1091 1.975,1092 6.037,1093 27.093,1094 3.129,1095 16.543,1096 21.775,1097 9.952,1098 33.431,1099 16.303,1100 1.959,1101 5.914,1102 28.953,1103 2.804,1104 17.653,1105 23.268,1106 10.594,1107 35.764,1108 17.401,1109 16553,1110 26066,1111 23.75,1112 39.529,1113 51.5,1114 52.708,1115 53.017,1116 51.211,1117 51.311,1118 67.827,1119 7.847,1120 142.574,1121 49.358,1122 5.491,1123 5.607,1124 6.313,1125 5.173,1126 5.092,1127 7.504,1128 3.634,1129 17.015,1130 5.043,1131 13.775,1132 1.471,1133 1.506,1134 1.515,1135 1.463,1136 1.466,1137 1.938,1138 0.224,1139 4.074,1140 1.41,1141 4.147,1142 4.179,1143 4.104,1144 4.059,1145 7.429,1146 4.066,1147 4.112,1148 4.143,1149 4.072,1150 4.027,1151 5.053,1152 4.035,1153 3.7,1154 3.747,1155 3.612,1156 3.472,1157 5.021,1158 3.494,1159 3.577,1160 3.634,1161 3.47,1162 3.427,1163 4.96,1164 3.427,1165 3.54,1166 3.616,1167 3.406,1168 3.375,1169 4.953,1170 3.376,1171 3.418,1172 3.482,1173 3.267,1174 3.174,1175 4.591,1176 3.189,1177 3.321,1178 3.392,1179 3.197,1180 3.098,1181 4.559,1182 3.11,1183 3.215,1184 3.28,1185 3.064,1186 3.022,1187 4.125,1188 3.023,1189 0.13,1190 0.103,1191 0.187,1192 0.116,1193 0.088,1194 4.55,1195 0.129,1196 3.607,1197 0.058,1198 6.546,1199 0.296,1200 4.076,1201 0.087,1202 3.092,1203 4.504,1204 2.03,1205 10.36,1206 3.043,1207 1.937,1208 1.919,1209 2.022,1210 2.031,1211 1.226,1212 2.027,1213 1.935,1214 1.917,1215 2.019,1216 2.023,1217 1.225,1218 2.021,1219 1.651,1220 1.593,1221 1.855,1222 1.85,1223 1.05,1224 1.857,1225 1.649,1226 1.591,1227 1.851,1228 1.846,1229 1.017,1230 1.854,1231 1.574,1232 1.518,1233 1.791,1234 1.836,1235 0.993,1236 1.822,1237 1.33,1238 1.279,1239 1.559,1240 1.617,1241 0.718,1242 1.601,1243 1.28,1244 1.193,1245 1.521,1246 1.567,1247 0.555,1248 1.562,1249 1.248,1250 1.169,1251 1.504,1252 1.513,1253 0.554,1254 1.516,1255 4.263,1257 5.557,1258 3.045,1259 7.038,1260 5.416,1261 8.612,1262 7.516,1263 10.241,1269 11.34,1271 3.475,1272 2.817,1273 11.448,1280 37.573,1281 94.49,1282 226.556,1283 282.755,1284 299.775,1285 303.775,1286 311.775,1287 55.334,1288 7.909,1289 131.18,1290 131.18,1291 22,1292 12.598,1293 4.459,1294 3.585,1295 52.479,1296 180,1297 153,1298 0.138,1299 231.027,1300 388.33,1301 555.465,1302 37886,1304 22.338,1305 0.698,1306 0.561,1307 22.338,1308 17.948,1309 15.673,1310 0.448,1311 0.309,1312 10.637,1313 15.041,1314 10.462,1315 8.64,1316 15.673,1317 10.801,1318 13.425,1319 0.286,1320 0.162,1321 13.425,1322 7.607,1323 11.287,1324 0.182,1325 0.087,1326 11.287,1327 5.368,1328 9.447,1329 0.117,1330 0.047,1331 9.447,1332 3.779,1333 7.535,1334 0.078,1335 0.025,1336 7.535,1337 2.433,1338 0.23,1339 98.504,1340 0.205,1341 31.01,1342 0.346,1343 164,1344 462.83,1345 179.85,1346 443.013,1347 609.22,1348 418,1349 191,1350 447.024,1351 206.353,1352 450.092,1353 658.22,1354 426,1355 9.745} {0 CHEMBL147907,1 1.308,2 14.938,3 4.18,4 17.473,5 131.859,6 6.579,7 0.583,8 4.253,9 4.395,10 3.733,11 3.802,12 5.199,13 3.753,14 4.825,15 5.026,16 4.068,17 4.227,18 5.679,19 4.146,20 5.116,21 5.369,22 4.047,23 4.377,24 5.859,25 4.24,26 5.198,27 5.47,28 3.969,29 4.397,30 5.901,31 4.226,32 5.218,33 5.512,34 3.9,35 4.357,36 5.862,37 4.167,38 5.149,39 5.446,40 3.864,41 4.281,42 5.806,43 4.103,44 5.055,45 5.342,46 3.816,47 4.204,48 5.745,49 4.035,50 4.981,51 5.27,52 3.638,53 4.106,54 5.654,55 3.921,56 0.08,57 0.984,58 15.339,59 5.913,60 12.169,61 8.699,62 0.232,63 1.636,64 28.035,65 9.963,66 21.441,67 14.97,68 0.283,69 1.998,70 37.871,71 13.745,72 28.801,73 20.663,74 0.306,75 2.08,76 41.169,77 15.565,78 32.782,79 23.15,80 0.286,81 2.039,82 42.074,83 16.226,84 30.992,85 24.09,86 0.305,87 1.919,88 39.508,89 14.52,90 29.501,91 21.831,92 0.279,93 1.777,94 35.894,95 13.047,96 28.37,97 19.669,98 0.288,99 1.639,100 33.456,101 11.894,102 26.595,103 18.012,104 2,105 49,106 0.207,107 0.556,108 0.766,109 0.839,110 0.86,111 0.86,112 3.502,113 0.99,114 -4.69,115 -4.61,116 -4.33,119 41.5,120 1,121 4,125 3,127 2,140 8,141 3,142 1,143 1,149 2,150 1,158 1,169 11,171 1,172 5,176 7,178 13,182 3,186 5,189 10,193 4,195 1,197 3,199 11,203 4,206 1,208 1,211 9,215 5,218 1,220 1,222 7,226 4,229 1,231 1,233 4,236 1,237 4,242 3,244 4,249 1,254 1,256 6,259 1804,260 22.292,261 22.292,262 22.292,263 22.292,264 22.292,265 19.877,266 28.735,267 13.391,268 22.705,269 17.813,270 17.813,271 17.813,272 17.813,273 17.813,274 14.254,275 40.737,276 6.397,277 18.477,278 4.715,279 2.511,280 1.189,281 0.723,282 0.596,283 0.596,284 4.214,289 1,290 1069,291 3.317,294 172.509,295 329.938,298 147.121,302 2.324,303 11.931,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66.5,315 478,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.132,327 6.095,328 3.815,329 2.84,330 3.731,331 0.657,332 8.884,333 2.773,334 4.059,335 2.892,336 6.051,337 3.691,338 2.753,339 3.54,341 8.695,342 2.582,343 3.648,344 2.855,345 5.477,346 3.552,347 2.598,348 2.813,350 7.326,351 2.481,352 3.433,353 2.393,354 5.15,355 3.149,356 2.197,357 2.67,359 6.375,360 2.088,361 3.272,362 2.18,363 5.109,364 2.997,365 2.022,366 2.591,368 5.994,369 1.962,370 3.24,371 1.797,372 4.514,373 2.729,374 1.776,375 2.361,377 4.655,378 1.695,379 3.004,380 1.787,381 4.189,382 2.698,383 1.71,384 2.101,386 3.929,387 1.681,388 2.742,389 1.37,390 4.133,391 2.313,392 1.329,393 1.847,395 3.48,396 1.307,397 2.5,398 1.186,399 3.492,400 2.104,401 1.138,402 1.5,404 2.598,405 1.097,406 2.432,407 1.091,408 3.425,409 2.003,410 1.026,411 1.41,413 2.416,414 1,415 2.342,416 1.077,417 3.414,418 2,419 1,420 1.305,422 2.275,423 1,424 2.235,425 1,426 3.313,427 1.984,428 1,429 1.173,431 2.136,432 0.983,433 2.118,434 0.927,435 3.247,436 1.839,437 0.891,438 1,440 2.091,441 0.842,442 2,443 0.667,444 3.173,445 1.558,446 0.618,447 0.927,449 1.458,450 0.578,451 15.5,452 0.484,453 0.585,454 0.018,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 30.119,462 0.941,463 34.3,464 0.528,465 25.921,466 0.81,467 7.349,468 0.23,469 8.41,470 0.263,471 0.032,473 0.277,479 1.067,480 1.399,481 0.915,482 1.114,483 0.9,484 1.021,485 1.35,486 1.157,487 1.052,488 1.027,489 0.917,490 1.016,491 1.208,492 1.039,493 1.082,494 1.028,495 0.898,496 1.041,497 0.928,498 1.015,499 1.065,500 1.076,501 0.907,502 1.082,503 0.662,504 0.973,505 0.92,506 1.012,507 0.783,508 0.992,509 0.869,510 0.919,511 0.919,512 0.932,513 0.806,514 0.931,515 0.931,516 1.003,517 0.966,518 0.993,519 0.889,520 0.985,521 1.13,522 0.977,523 1.103,524 1.034,525 1.179,526 1.061,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.854,533 0.445,534 0.273,535 0.208,536 0.148,537 18108,538 36204,539 2.194,540 50.8,541 2,542 16,543 2,544 2,545 2,547 5,548 4,550 1.737,551 2.133,552 3.842,553 0.115,559 84.997,560 1.308,561 3.511,562 4.833,563 5.299,564 5.426,565 5.426,566 3.281,567 4.375,568 4.973,569 4.048,570 2007.58,571 8.651,572 31750.6,577 391.454,578 1.043,579 4.964,580 0.139,581 0.004,582 0.068,583 0.029,584 0.029,585 0.022,586 0.012,587 0.008,588 0.007,589 0.006,590 0.324,591 0.33,592 0.88,593 0.313,594 173.336,595 0.032,596 -0.178,597 0.077,598 -0.037,599 0.091,600 0.014,601 -0.071,602 -0.005,603 -0.044,604 -0.018,605 0.053,606 -0.027,607 -0.143,608 -0.006,609 -0.092,610 -0.036,611 -0.01,612 -0.056,613 -0.034,614 -0.04,615 -0.09,616 -0.08,617 -0.021,618 -0.088,619 0.095,620 -0.057,621 0.046,622 -0.017,623 0.058,624 0.006,625 0.048,626 0.016,627 0.061,628 0.042,629 0.052,630 0.051,631 0.04,632 -0.045,633 0.018,634 -0.019,635 0.015,636 -0.005,637 -0.077,638 -0.011,639 -0.114,640 -0.073,641 -0.201,642 -0.092,643 0.915,644 1.334,645 0.813,646 38.758,647 0.983,648 1.128,649 3.464,650 12.003,651 0.657,652 3.611,653 3.912,654 4.19,655 4.431,656 4.595,657 4.654,658 4.796,659 4.905,660 4.956,661 4.997,662 8.772,663 0.607,664 427.65,665 3.611,666 5.142,667 5.989,668 6.851,669 7.711,670 8.578,671 9.444,672 10.313,673 11.183,674 12.055,675 7.7,677 1,678 1,683 2,685 1,687 2,688 12,689 1,690 1,693 3,694 1,695 21,714 65,716 21,717 2,718 36,720 69,721 27,722 17,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 17,746 10,764 33,765 3,766 2,767 5,770 1,773 5,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,823 1,827 32,833 7,834 1,837 2,838 1,854 15,855 11.517,856 7.028,857 4.179,858 3.531,859 1.432,860 1.011,861 6.608,862 11.699,863 3.861,864 4.431,865 5.022,866 5.598,867 6.028,868 6.35,869 6.794,870 7.2,871 7.396,872 7.611,873 0.9,874 46,875 11.848,877 4.98,878 7.359,879 23.769,881 20.159,883 1.859,884 59.5,888 364.904,889 150.696,890 56.605,895 150.696,896 364.904,897 56.605,898 8.825,899 16.455,900 111.916,901 48.946,902 42.557,903 25.686,904 317.82,906 364.904,907 207.301,911 258.964,912 105.94,915 82.766,916 107.75,917 16.786,919 364.904,920 56.605,921 150.696,924 364.904,925 30.3,926 125.419,927 34.796,928 16.786,929 364.904,930 56.605,931 150.696,933 0.574,934 0.337,935 0.182,936 0.092,937 24,938 9,939 0.116,940 8,941 1,942 1.077,943 4.633,944 283.062,945 0.077,946 26,947 152,951 21.296,952 9.93,953 5.107,954 2.539,955 37.921,956 25.212,957 4.172,958 3.44,961 3.954,962 2.063,963 34.796,964 572.206,965 46.5,975 63.879,976 73.304,977 0.217,978 0.583,979 0.803,980 0.88,981 0.901,982 0.901,983 5.083,984 1.71,985 5.943,986 4.655,987 4.595,988 5.118,989 1.038,990 6.713,991 4.526,992 6.252,993 1.329,994 7.47,995 3.929,996 4.007,997 4.732,998 0.325,999 7.516,1000 3.899,1001 7.531,1002 1.138,1003 9.098,1004 3.48,1005 6.146,1006 7.278,1007 0.607,1008 10.608,1009 6.012,1010 8.848,1011 1.026,1012 10.788,1013 2.598,1014 6.447,1015 7.858,1016 0.268,1017 12.284,1018 6.276,1019 10.204,1020 1,1021 12.518,1022 2.416,1023 7.977,1024 9.786,1025 0.359,1026 14.853,1027 7.785,1028 11.587,1029 1,1030 14.276,1031 2.275,1032 8.689,1033 10.834,1034 0.188,1035 16.885,1036 8.468,1037 12.992,1038 0.891,1039 16.055,1040 2.136,1041 9.966,1042 12.506,1043 0.214,1044 19.281,1045 9.727,1046 3.118,1047 0.618,1048 17.848,1049 2.091,1050 10.878,1051 13.786,1052 0.125,1053 21.469,1054 10.616,1055 2.84,1056 10.431,1057 19.653,1058 1.458,1059 12.049,1060 15.35,1061 0.129,1062 23.808,1063 11.77,1064 2.753,1065 8.884,1066 21.466,1067 4.518,1068 13.058,1069 16.743,1070 0.082,1071 26.067,1072 12.761,1073 2.598,1074 8.695,1075 23.287,1076 3.731,1077 14.185,1078 18.265,1079 0.079,1080 28.39,1081 13.873,1082 2.197,1083 7.326,1084 25.114,1085 3.54,1086 15.244,1087 19.714,1088 0.054,1089 30.685,1090 14.915,1091 2.022,1092 6.375,1093 26.947,1094 2.813,1095 16.356,1096 21.22,1097 0.048,1098 33.007,1099 16.013,1100 1.776,1101 5.994,1102 28.783,1103 2.67,1104 17.44,1105 22.696,1106 0.035,1107 35.319,1108 17.082,1109 16512,1110 23522,1111 25.137,1112 42.688,1113 54.067,1114 53.314,1115 53.673,1116 53.477,1117 53.484,1118 68.872,1119 2.915,1120 148.831,1121 51.646,1122 5.568,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 7.681,1132 1.502,1133 1.481,1134 1.491,1135 1.485,1136 1.486,1137 1.913,1138 0.081,1139 4.134,1140 1.435,1141 4.157,1142 4.194,1143 4.115,1144 4.065,1145 5.032,1146 4.073,1147 3.956,1148 4.005,1149 3.872,1150 3.875,1151 4.876,1152 3.869,1153 3.864,1154 3.926,1155 3.808,1156 3.704,1157 4.763,1158 3.706,1159 3.833,1160 3.889,1161 3.724,1162 3.659,1163 4.397,1164 3.682,1165 3.555,1166 3.625,1167 3.411,1168 3.418,1169 4.242,1170 3.407,1171 3.411,1172 3.486,1173 3.268,1174 3.259,1175 4.14,1176 3.25,1177 3.284,1178 3.352,1179 3.149,1180 3.137,1181 3.913,1182 3.132,1183 3.111,1184 3.206,1185 2.889,1186 2.941,1187 3.723,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.022,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.962,1208 1.937,1209 2.087,1210 2.071,1211 1.43,1212 2.08,1213 1.933,1214 1.899,1215 2.046,1216 2.048,1217 1.28,1218 2.047,1219 1.832,1220 1.772,1221 2.012,1222 1.98,1223 1.182,1224 1.995,1225 1.664,1226 1.608,1227 1.874,1228 1.83,1229 1.114,1230 1.848,1231 1.447,1232 1.375,1233 1.715,1234 1.682,1235 0.837,1236 1.681,1237 1.424,1238 1.36,1239 1.594,1240 1.633,1241 0.825,1242 1.639,1243 1.327,1244 1.258,1245 1.545,1246 1.529,1247 0.75,1248 1.539,1249 1.267,1250 1.197,1251 1.513,1252 1.501,1253 0.634,1254 1.494,1255 4.29,1257 5.595,1258 3.045,1259 7.086,1260 5.283,1261 8.66,1262 7.286,1263 10.278,1265 2.279,1271 8.332,1272 3.834,1275 1.04,1276 2.636,1280 39.482,1281 84.997,1282 228.214,1283 314.17,1284 344.434,1285 352.699,1286 352.699,1287 39.795,1288 8.168,1289 48.88,1290 48.88,1291 28,1292 12.597,1293 4.459,1294 3.524,1295 46.18,1296 173,1297 154,1298 0.128,1299 240.422,1300 401.5,1301 578.389,1302 49798,1304 21.753,1305 0.68,1306 0.59,1307 21.753,1308 18.874,1309 15.759,1310 0.438,1311 0.33,1312 11.767,1313 15.346,1314 11.493,1315 9.524,1316 15.759,1317 11.878,1318 13.808,1319 0.282,1320 0.184,1321 13.808,1322 9.032,1323 11.982,1324 0.184,1325 0.105,1326 11.982,1327 6.847,1328 9.941,1329 0.12,1330 0.06,1331 9.941,1332 4.954,1333 7.584,1334 0.077,1335 0.035,1336 7.584,1337 3.432,1338 0.211,1339 97.105,1340 0.199,1341 30.882,1342 0.324,1343 170,1344 357.601,1345 179.714,1346 359.644,1347 513.65,1348 342,1349 199,1350 394.408,1351 209.852,1352 404.515,1353 588.9,1354 383,1355 8.293} {0 CHEMBL147940,1 1.449,2 17.944,3 2.978,4 8.867,5 145.556,6 6.841,7 0.525,8 4.348,9 4.492,10 3.85,11 3.861,12 5.355,13 3.827,14 4.912,15 5.114,16 4.176,17 4.282,18 5.843,19 4.213,20 5.189,21 5.431,22 4.141,23 4.435,24 6.014,25 4.309,26 5.285,27 5.563,28 4.071,29 4.439,30 6.043,31 4.278,32 5.259,33 5.552,34 3.986,35 4.358,36 6.004,37 4.19,38 5.144,39 5.429,40 3.941,41 4.28,42 5.872,43 4.124,44 5.083,45 5.359,46 3.942,47 4.247,48 5.825,49 4.1,50 5.079,51 5.351,52 3.83,53 4.214,54 5.855,55 4.052,56 0.091,57 1.11,58 16.283,59 6.167,60 12.415,61 9.027,62 0.317,63 1.775,64 30.084,65 10.46,66 29.084,67 15.693,68 0.344,69 2.106,70 40.676,71 14.406,72 40.621,73 21.528,74 0.332,75 2.188,76 45.424,77 16.04,78 42.519,79 24.418,80 0.42,81 2.051,82 44.957,83 15.541,84 48.588,85 23.602,86 0.371,87 1.875,88 39.812,89 13.886,90 37.368,91 21.047,92 0.318,93 1.821,94 37.093,95 12.9,96 30.979,97 19.71,98 0.411,99 1.782,100 37.206,101 12.441,102 42.665,103 19.08,104 7,105 54,106 0.225,107 0.569,108 0.764,109 0.831,110 0.849,111 0.849,112 3.615,113 0.966,114 -4.84,115 -4.75,116 -4.46,119 39.4,120 1,121 4,122 1,125 5,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 11,171 2,172 6,174 1,176 8,178 10,182 4,186 9,189 7,193 8,197 4,199 8,203 8,206 2,211 11,215 5,218 1,219 1,222 11,226 4,229 2,231 1,233 7,236 1,237 5,240 1,242 5,244 3,249 2,254 4,256 4,259 2750,260 24.808,261 24.808,262 24.808,263 24.808,264 24.808,265 22.19,266 33.03,267 14.922,268 25.227,269 19.802,270 19.802,271 19.802,272 19.802,273 19.802,274 15.881,275 38.048,276 7.146,277 20.475,278 4.701,279 2.486,280 1.231,281 0.803,282 0.687,283 0.687,284 4.325,289 1,290 1426,291 3.808,294 205.914,295 391.18,298 177.26,302 2.957,303 19.415,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 76.5,315 646,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.196,327 6.095,328 3.69,329 2.753,330 3.731,331 0.8,332 8.884,333 2.645,334 4.059,335 2.9,336 5.535,337 3.676,338 2.695,339 3.648,340 0.657,341 7.521,342 2.58,343 3.669,344 2.87,345 5.49,346 3.614,347 2.651,348 2.899,349 0.149,350 7.387,351 2.558,352 3.626,353 2.805,354 5.207,355 3.325,356 2.342,357 2.813,359 6.598,360 2.299,361 3.432,362 2.428,363 5.146,364 3.175,365 2.214,366 2.656,368 6.369,369 2.115,370 3.279,371 2.307,372 5.105,373 2.999,374 2.023,375 2.59,377 5.994,378 1.967,379 3.251,380 2.177,381 4.514,382 2.872,383 1.852,384 2.451,386 4.655,387 1.875,388 3.195,389 1.795,390 4.399,391 2.73,392 1.776,393 2.213,395 4.511,396 1.69,397 2.742,398 1.475,399 4.134,400 2.324,401 1.34,402 1.847,404 3.483,405 1.317,406 2.5,407 1.353,408 3.518,409 2.149,410 1.199,411 1.5,413 2.683,414 1.136,415 2.432,416 1.149,417 3.414,418 2.034,419 1.083,420 1.41,422 2.42,423 1.026,424 2.301,425 1.077,426 3.414,427 2,428 1,429 1.269,431 2.275,432 1,433 2.2,434 1,435 3.411,436 1.984,437 1,438 1.151,440 2.275,441 0.983,442 2.118,443 0.931,444 3.31,445 1.856,446 0.891,447 1,449 2.089,450 0.858,451 17.133,452 0.476,453 0.708,454 0.02,455 43.75,456 1.215,457 20,458 0.556,459 23.75,460 0.66,461 33.934,462 0.943,463 39.267,464 0.553,465 31.119,466 0.864,467 8.408,468 0.234,469 9.228,470 0.256,471 0.049,473 0.28,479 0.836,480 1.409,481 0.872,482 1.143,483 0.572,484 1.028,485 0.923,486 1.113,487 0.99,488 1.028,489 0.551,490 1.011,491 1.047,492 1.084,493 1.098,494 1.098,495 0.974,496 1.106,497 0.716,498 1.051,499 0.982,500 1.084,501 0.489,502 1.064,503 0.762,504 0.909,505 0.915,506 0.968,507 0.75,508 0.962,509 0.741,510 0.921,511 0.909,512 0.961,513 0.684,514 0.957,515 0.66,516 1.024,517 0.93,518 1.034,519 0.459,520 1.013,521 0.93,522 1.019,523 1.13,524 1.092,525 0.869,526 1.126,527 6.5,528 0.14,529 3.333,530 1.257,531 1.228,532 0.937,533 0.647,534 0.218,535 0.258,536 0.221,537 26352,538 62281,539 2.154,540 49.3,541 2,542 17,543 1,544 2,545 3,546 3,547 7,550 1.764,551 2.077,552 4.08,553 0.773,559 102.85,560 1.449,561 3.664,562 4.918,563 5.347,564 5.463,565 5.463,566 3.507,567 4.649,568 5.14,569 4.324,570 2724.09,571 8.976,572 49503,577 436.632,578 1.135,579 5.128,580 0.162,581 0.005,582 0.062,583 0.025,584 0.027,585 0.023,586 0.016,587 0.005,588 0.008,589 0.007,590 0.34,591 0.17,592 0.75,593 0.662,594 205.361,595 0.033,596 -0.141,597 0.067,598 -0.039,599 0.051,600 0.008,601 0.028,602 0.048,603 -0.024,604 0.006,605 0.106,606 -0.011,607 -0.139,608 -0.055,609 -0.132,610 -0.07,611 -0.07,612 -0.097,613 -0.009,614 -0.096,615 -0.022,616 -0.074,617 0.068,618 -0.052,619 0.047,620 0.004,621 0.06,622 0.022,623 0.041,624 0.039,625 0.046,626 0.014,627 0.062,628 0.037,629 0.02,630 0.048,631 0.064,632 -0.053,633 0.034,634 -0.034,635 0.032,636 -0.009,637 -0.039,638 -0.039,639 -0.153,640 -0.108,641 -0.083,642 -0.139,643 1.705,644 4.143,645 0.722,646 52.599,647 0.992,648 1.134,649 3.607,650 13.013,651 0.65,652 3.714,653 4.007,654 4.248,655 4.489,656 4.654,657 4.727,658 4.86,659 4.949,660 4.997,661 5.075,662 10.479,663 0.609,664 485.7,665 3.714,666 5.242,667 6.075,668 6.932,669 7.78,670 8.642,671 9.497,672 10.362,673 11.223,674 12.09,675 9.9,677 1,678 1,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 71,716 22,717 2,718 40,720 75,721 28,722 16,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 4,745 17,746 11,747 1,750 1,755 1,759 1,764 35,765 6,766 3,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,814 1,815 1,819 4,823 1,827 36,833 9,834 2,837 1,838 1,844 1,847 1.4,850 1,854 17.333,855 12.633,856 7.917,857 4.427,858 3.715,859 1.439,860 1.002,861 8.117,862 12.187,863 3.961,864 4.522,865 5.07,866 5.651,867 6.092,868 6.424,869 6.854,870 7.246,871 7.407,872 7.63,873 0.917,874 50,875 13.299,877 5.56,878 7.528,879 26.259,881 21.902,883 2.028,884 73,888 376.675,889 143.417,890 91.156,892 25.145,895 143.417,896 401.82,897 91.156,898 8.825,899 38.677,900 93.392,901 103.955,902 36.267,903 13.915,904 341.362,906 376.675,907 234.573,908 25.145,911 294.278,912 107.543,915 104.559,916 96.688,917 33.326,919 376.675,920 116.301,921 143.417,924 376.675,925 41.973,926 106.467,927 52.807,928 58.471,929 376.675,930 116.301,931 143.417,933 0.573,934 0.322,935 0.174,936 0.089,937 25,938 10,939 0.133,940 10,941 1,942 1.077,943 5.049,944 320.47,945 0.077,946 26,947 174.117,951 24.696,952 11.832,953 6.624,954 2.467,955 97.617,956 20.147,957 7.841,958 3.419,961 4.558,962 1.944,963 52.807,964 636.393,965 51.5,970 11.143,974 -0.039,975 70.41,976 80.51,977 0.236,978 0.596,979 0.8,980 0.869,981 0.888,982 0.888,983 5.183,984 1.852,985 6.028,986 5.994,987 4.691,988 5.209,989 2.183,990 6.777,991 4.629,992 6.354,993 1.776,994 7.542,995 4.655,996 4.111,997 4.89,998 1.668,999 7.535,1000 4.033,1001 7.634,1002 1.34,1003 9.151,1004 4.511,1005 6.225,1006 7.359,1007 2.949,1008 10.601,1009 6.102,1010 8.949,1011 1.199,1012 10.819,1013 3.483,1014 6.494,1015 7.957,1016 3.047,1017 12.235,1018 6.35,1019 10.3,1020 1.083,1021 12.527,1022 2.683,1023 8.019,1024 9.849,1025 4.045,1026 14.791,1027 7.841,1028 11.675,1029 1,1030 14.263,1031 2.42,1032 8.694,1033 10.897,1034 4.412,1035 16.806,1036 8.495,1037 13.071,1038 1,1039 16.021,1040 2.275,1041 9.969,1042 12.552,1043 5.252,1044 19.197,1045 9.744,1046 3.118,1047 0.891,1048 17.796,1049 2.275,1050 10.853,1051 13.827,1052 5.75,1053 21.384,1054 10.607,1055 2.753,1056 10.431,1057 19.584,1058 2.089,1059 12.02,1060 15.383,1061 6.501,1062 23.725,1063 11.753,1064 2.695,1065 8.884,1066 21.385,1067 4.518,1068 13.011,1069 16.772,1070 7.068,1071 25.991,1072 12.727,1073 2.651,1074 7.521,1075 23.195,1076 3.731,1077 14.135,1078 18.289,1079 7.771,1080 28.319,1081 13.833,1082 2.342,1083 7.387,1084 25.014,1085 3.648,1086 15.183,1087 19.734,1088 8.374,1089 30.621,1090 14.864,1091 2.214,1092 6.598,1093 26.84,1094 2.899,1095 16.293,1096 21.237,1097 9.051,1098 32.95,1099 15.959,1100 2.023,1101 6.369,1102 28.673,1103 2.813,1104 17.371,1105 22.711,1106 9.674,1107 35.27,1108 17.023,1109 24352,1110 37625,1111 27.622,1112 46.154,1113 59.493,1114 59.52,1115 59.294,1116 58.795,1117 58.869,1118 75.494,1119 7.027,1120 162.133,1121 57.027,1122 5.568,1123 5.533,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 12.746,1132 1.487,1133 1.488,1134 1.482,1135 1.47,1136 1.472,1137 1.887,1138 0.176,1139 4.053,1140 1.426,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 7.43,1146 4.07,1147 3.958,1148 4.003,1149 3.885,1150 3.871,1151 5.135,1152 3.869,1153 3.872,1154 3.93,1155 3.79,1156 3.737,1157 4.927,1158 3.732,1159 3.825,1160 3.899,1161 3.751,1162 3.588,1163 4.754,1164 3.625,1165 3.583,1166 3.653,1167 3.467,1168 3.408,1169 4.378,1170 3.408,1171 3.526,1172 3.58,1173 3.4,1174 3.316,1175 4.259,1176 3.336,1177 3.37,1178 3.446,1179 3.244,1180 3.176,1181 4.17,1182 3.184,1183 3.259,1184 3.333,1185 3.124,1186 3.078,1187 3.958,1188 3.078,1189 0.114,1190 0.088,1191 0.164,1192 0.102,1193 0.078,1194 4.568,1195 0.113,1196 3.533,1197 0.048,1198 6.566,1199 0.261,1200 4.099,1201 0.077,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.09,1210 2.067,1211 1.467,1212 2.078,1213 1.925,1214 1.893,1215 2.04,1216 2.047,1217 1.286,1218 2.046,1219 1.86,1220 1.803,1221 2.02,1222 2.007,1223 1.167,1224 2.014,1225 1.673,1226 1.617,1227 1.884,1228 1.841,1229 1.122,1230 1.859,1231 1.479,1232 1.42,1233 1.72,1234 1.737,1235 0.868,1236 1.73,1237 1.419,1238 1.347,1239 1.638,1240 1.672,1241 0.825,1242 1.659,1243 1.37,1244 1.303,1245 1.559,1246 1.606,1247 0.744,1248 1.603,1249 1.262,1250 1.185,1251 1.513,1252 1.483,1253 0.689,1254 1.498,1255 4.394,1257 5.694,1258 3.045,1259 7.169,1260 5.283,1261 8.727,1262 7.286,1263 10.331,1265 1.53,1271 10.198,1272 6.432,1275 0.74,1276 2.62,1280 43.24,1281 102.85,1282 260.144,1283 349.206,1284 379.612,1285 387.877,1286 387.877,1287 52.297,1288 8.472,1289 90.87,1290 90.87,1291 28,1292 12.636,1293 4.524,1294 3.644,1295 55.165,1296 230,1297 222,1298 0.112,1299 264.671,1300 446.95,1301 637.558,1302 77266,1304 24.744,1305 0.687,1306 0.581,1307 24.744,1308 20.912,1309 17.636,1310 0.441,1311 0.322,1312 12.726,1313 17.004,1314 12.435,1315 10.316,1316 17.636,1317 12.885,1318 15.644,1319 0.29,1320 0.182,1321 15.644,1322 9.811,1323 12.818,1324 0.186,1325 0.103,1326 12.818,1327 7.132,1328 10.691,1329 0.121,1330 0.058,1331 10.691,1332 5.105,1333 8.169,1334 0.079,1335 0.035,1336 8.169,1337 3.596,1338 0.189,1339 109.944,1340 0.19,1341 34.48,1342 0.278,1343 188,1344 465.315,1345 202.759,1346 458.877,1347 636.14,1348 432,1349 217,1350 476.38,1351 232.123,1352 485.231,1353 698.12,1354 456,1355 8.377} {0 CHEMBL147961,1 1.442,2 15,3 3.165,4 10.015,5 133.342,6 6.841,7 0.568,8 4.267,9 4.406,10 3.771,11 3.785,12 5.27,13 3.752,14 4.831,15 5.025,16 4.1,17 4.208,18 5.743,19 4.142,20 5.119,21 5.367,22 4.098,23 4.361,24 5.924,25 4.239,26 5.211,27 5.477,28 4.046,29 4.386,30 5.987,31 4.237,32 5.235,33 5.515,34 4.009,35 4.354,36 5.994,37 4.194,38 5.192,39 5.473,40 3.966,41 4.287,42 5.98,43 4.137,44 5.106,45 5.389,46 3.864,47 4.208,48 5.878,49 4.051,50 4.994,51 5.284,52 3.676,53 4.097,54 5.691,55 3.922,56 0.097,57 1.008,58 15.039,59 5.773,60 12.418,61 8.297,62 0.268,63 1.645,64 27.665,65 9.598,66 25.521,67 14.258,68 0.35,69 1.973,70 37.984,71 13.319,72 35.292,73 20.074,74 0.355,75 2.063,76 42.106,77 14.909,78 41.234,79 22.348,80 0.354,81 2.014,82 43.618,83 15.649,84 42.995,85 23.26,86 0.446,87 1.923,88 42.232,89 14.308,90 46.722,91 21.376,92 0.442,93 1.788,94 38.693,95 12.913,96 45.145,97 19.618,98 0.328,99 1.617,100 34.358,101 11.479,102 29.636,103 17.715,104 3,105 50,106 0.228,107 0.587,108 0.777,109 0.846,110 0.866,111 0.866,112 3.531,113 0.964,114 -4.59,115 -4.51,116 -4.24,119 40,121 4,125 4,127 2,140 8,141 3,142 1,146 1,149 1,150 1,158 1,164 1,169 11,171 2,172 5,176 6,178 12,182 5,185 1,186 6,189 8,193 6,195 1,197 5,199 7,203 5,206 1,208 5,211 8,215 5,218 2,220 2,222 7,226 5,229 2,231 1,233 4,236 1,237 4,242 3,244 3,248 1,249 1,254 2,256 5,259 1949,260 23.162,261 23.162,262 23.162,263 23.162,264 23.162,265 20.748,266 28.49,267 13.914,268 23.582,269 18.251,270 18.251,271 18.251,272 18.251,273 18.251,274 14.699,275 40.116,276 6.552,277 18.944,278 4.58,279 2.317,280 1.116,281 0.681,282 0.554,283 0.554,284 4.244,289 1,290 1102,291 3.464,294 180.166,295 343.49,298 153.987,302 2.303,303 19.085,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70,315 495,316 4.568,317 3.197,318 6.566,319 4.1,320 3.118,321 4.518,322 0.8,323 10.431,324 3.065,325 4.129,326 3.181,327 6.157,328 3.85,329 2.876,330 3.731,331 0.657,332 9.114,333 2.803,334 4.082,335 2.893,336 6.095,337 3.702,338 2.753,339 3.55,341 8.884,342 2.611,343 3.649,344 2.858,345 5.478,346 3.556,347 2.603,348 2.813,350 7.335,351 2.483,352 3.433,353 2.393,354 5.15,355 3.15,356 2.197,357 2.674,359 6.375,360 2.09,361 3.286,362 2.18,363 5.109,364 2.999,365 2.023,366 2.591,368 5.994,369 1.966,370 3.244,371 1.896,372 4.514,373 2.763,374 1.786,375 2.393,377 4.655,378 1.744,379 3.029,380 1.794,381 4.375,382 2.72,383 1.77,384 2.108,386 4.272,387 1.676,388 2.742,389 1.37,390 4.133,391 2.313,392 1.329,393 1.847,395 3.48,396 1.307,397 2.5,398 1.346,399 3.501,400 2.143,401 1.168,402 1.5,404 2.652,405 1.135,406 2.478,407 1.169,408 3.457,409 2.073,410 1.112,411 1.473,413 2.5,414 1.065,415 2.421,416 1.077,417 3.414,418 2,419 1,420 1.393,422 2.275,423 1,424 2.252,425 1,426 3.316,427 1.984,428 1,429 1.193,431 2.136,432 0.983,433 2.118,434 0.952,435 3.247,436 1.844,437 0.895,438 1,440 2.096,441 0.847,442 2,443 0.855,444 3.177,445 1.564,446 0.618,447 0.927,449 1.468,450 0.58,451 15.733,452 0.477,453 0.547,454 0.017,455 39.75,456 1.205,457 18,458 0.545,459 21.75,460 0.659,461 30.877,462 0.936,463 35.867,464 0.552,465 27.788,466 0.842,467 7.677,468 0.233,469 8.62,470 0.261,471 0.021,473 0.273,479 0.964,480 1.358,481 0.882,482 1.106,483 0.905,484 1.005,485 1.127,486 1.167,487 1.049,488 1.049,489 0.896,490 1.038,491 0.88,492 1.053,493 1.024,494 1.043,495 0.639,496 1.044,497 0.864,498 1.017,499 1.032,500 1.077,501 0.757,502 1.072,503 0.838,504 0.999,505 0.919,506 1.041,507 0.969,508 1.004,509 1.108,510 0.927,511 0.97,512 0.959,513 1.275,514 0.959,515 1.005,516 0.95,517 0.995,518 0.956,519 1.117,520 0.977,521 0.832,522 0.953,523 1.06,524 1.021,525 0.642,526 1.051,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.882,533 0.505,534 0.301,535 0.208,536 0.148,537 19361,538 43689,539 2.187,540 49.2,541 2,542 18,543 1,544 2,545 3,547 2,548 4,550 1.745,551 2.129,552 3.842,553 0.802,559 93.733,560 1.442,561 3.705,562 4.907,563 5.341,564 5.469,565 5.469,566 3.268,567 4.56,568 5.019,569 4.057,570 2141.96,571 8.745,572 34639.4,577 391.454,578 1.027,579 5.01,580 0.135,581 0.004,582 0.067,583 0.027,584 0.027,585 0.021,586 0.013,587 0.008,588 0.007,589 0.006,590 0.315,591 0.17,592 0.88,593 0.459,594 180.281,595 0.014,596 -0.111,597 0.064,598 -0.011,599 -0.012,600 0.021,601 -0.086,603 -0.079,604 -0.025,605 -0.054,606 -0.049,607 -0.03,608 -0.024,609 -0.058,610 -0.034,611 0.055,612 -0.045,613 -0.032,614 -0.041,615 -0.064,616 -0.075,617 0.023,618 -0.072,619 0.046,620 -0.087,621 0.056,622 -0.037,623 0.042,624 0.002,625 -0.014,626 -0.006,627 0.027,628 0.018,629 -0.043,630 0.023,631 0.002,632 -0.015,633 -0.003,634 0.016,635 -0.075,636 0.004,637 -0.051,638 0.003,639 -0.085,640 -0.055,641 -0.07,642 -0.069,643 1.368,644 3.831,645 0.788,646 39.824,647 0.991,648 1.132,649 3.356,650 11.264,651 0.652,652 3.638,653 3.932,654 4.22,655 4.466,656 4.635,657 4.691,658 4.828,659 4.949,660 4.984,661 5.011,662 8.875,663 0.611,664 444.64,665 3.638,666 5.165,667 6.014,668 6.876,669 7.738,670 8.606,671 9.474,672 10.344,673 11.215,674 12.088,675 9.2,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 65,716 21,717 2,718 37,720 69,721 26,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 16,746 10,764 32,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 33,832 1,833 8,834 1,837 2,838 1,844 1,847 1.5,848 1,854 15.5,855 11.083,856 7.361,857 4.041,858 3.505,859 1.427,860 0.986,861 7.055,862 11.718,863 3.882,864 4.443,865 5.035,866 5.613,867 6.043,868 6.365,869 6.808,870 7.214,871 7.398,872 7.612,873 0.9,874 48,875 12.214,877 5.165,878 7.5,879 24.157,881 20.404,883 2,884 66,888 341.362,889 132.395,890 73.146,892 42.683,895 132.395,896 384.045,897 73.146,899 16.455,900 145.551,901 65.609,902 42.006,903 13.915,904 306.049,906 341.362,907 205.541,908 42.683,911 270.735,912 70.627,913 42.683,915 73.39,916 98.702,917 33.449,919 341.362,920 115.829,921 132.395,924 341.362,925 30.3,926 106.995,927 34.796,928 76.132,929 341.362,930 115.829,931 132.395,933 0.569,934 0.339,935 0.187,936 0.095,937 24,938 9,939 0.13,940 9,941 1,942 1.077,943 4.689,944 295.522,945 0.077,946 26,947 158.465,951 22.146,952 10.513,953 5.297,954 2.43,955 97.267,956 22.06,957 8.3,958 3.404,961 3.553,962 1.799,963 77.48,964 589.586,965 47.5,975 64.425,976 73.597,977 0.239,978 0.615,979 0.815,980 0.887,981 0.908,982 0.908,983 5.101,984 1.77,985 5.964,986 4.655,987 4.615,988 5.13,989 1.038,990 6.737,991 4.545,992 6.265,993 1.329,994 7.492,995 4.272,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.909,1001 7.543,1002 1.168,1003 9.121,1004 3.48,1005 6.168,1006 7.285,1007 0.607,1008 10.646,1009 6.035,1010 8.86,1011 1.112,1012 10.812,1013 2.652,1014 6.463,1015 7.862,1016 0.268,1017 12.338,1018 6.302,1019 10.216,1020 1,1021 12.545,1022 2.5,1023 8,1024 9.79,1025 0.359,1026 14.906,1027 7.815,1028 11.599,1029 1,1030 14.306,1031 2.275,1032 8.712,1033 10.837,1034 0.188,1035 16.949,1036 8.503,1037 13.003,1038 0.895,1039 16.088,1040 2.136,1041 9.993,1042 12.509,1043 0.214,1044 19.344,1045 9.763,1046 3.118,1047 0.618,1048 17.884,1049 2.096,1050 10.907,1051 13.788,1052 0.125,1053 21.537,1054 10.657,1055 2.876,1056 10.431,1057 19.691,1058 1.468,1059 12.079,1060 15.352,1061 0.129,1062 23.874,1063 11.811,1064 2.753,1065 9.114,1066 21.507,1067 4.518,1068 13.09,1069 16.745,1070 0.082,1071 26.134,1072 12.806,1073 2.603,1074 8.884,1075 23.331,1076 3.731,1077 14.218,1078 18.267,1079 0.079,1080 28.455,1081 13.918,1082 2.197,1083 7.335,1084 25.16,1085 3.55,1086 15.278,1087 19.715,1088 0.054,1089 30.747,1090 14.962,1091 2.023,1092 6.375,1093 26.994,1094 2.813,1095 16.391,1096 21.221,1097 0.048,1098 33.066,1099 16.06,1100 1.786,1101 5.994,1102 28.833,1103 2.674,1104 17.476,1105 22.697,1106 0.035,1107 35.375,1108 17.13,1109 17730,1110 26805,1111 25.83,1112 42.387,1113 55.018,1114 54.806,1115 55.258,1116 54.442,1117 54.509,1118 69.885,1119 2.915,1120 151.509,1121 52.544,1122 5.568,1123 5.197,1124 6.367,1125 5.161,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.065,1131 8.022,1132 1.487,1133 1.481,1134 1.493,1135 1.471,1136 1.473,1137 1.889,1138 0.079,1139 4.095,1140 1.42,1141 4.153,1142 4.192,1143 4.113,1144 4.06,1145 6.456,1146 4.068,1147 3.958,1148 4.005,1149 3.876,1150 3.874,1151 5.118,1152 3.869,1153 3.845,1154 3.91,1155 3.786,1156 3.701,1157 4.914,1158 3.7,1159 3.815,1160 3.884,1161 3.724,1162 3.569,1163 4.754,1164 3.609,1165 3.556,1166 3.624,1167 3.417,1168 3.397,1169 4.385,1170 3.396,1171 3.432,1172 3.491,1173 3.296,1174 3.255,1175 4.24,1176 3.258,1177 3.285,1178 3.35,1179 3.164,1180 3.125,1181 4.075,1182 3.126,1183 3.111,1184 3.206,1185 2.907,1186 2.941,1187 3.869,1188 2.91,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.197,1197 0.022,1198 6.566,1199 0.282,1200 4.1,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.065,1207 1.957,1208 1.932,1209 2.083,1210 2.07,1211 1.431,1212 2.078,1213 1.931,1214 1.899,1215 2.04,1216 2.046,1217 1.279,1218 2.043,1219 1.831,1220 1.772,1221 2.009,1222 1.98,1223 1.188,1224 1.994,1225 1.662,1226 1.606,1227 1.872,1228 1.83,1229 1.107,1230 1.847,1231 1.434,1232 1.371,1233 1.66,1234 1.677,1235 0.837,1236 1.671,1237 1.361,1238 1.289,1239 1.574,1240 1.627,1241 0.825,1242 1.61,1243 1.276,1244 1.21,1245 1.513,1246 1.505,1247 0.747,1248 1.498,1249 1.198,1250 1.118,1251 1.427,1252 1.487,1253 0.525,1254 1.454,1255 4.317,1257 5.617,1258 3.045,1259 7.107,1260 5.283,1261 8.683,1262 7.286,1263 10.303,1270 9.831,1271 7.901,1272 3.666,1275 0.481,1276 2.574,1280 39.692,1281 93.733,1282 240.832,1283 318.925,1284 347.189,1285 355.454,1286 355.454,1287 46.74,1288 8.213,1289 82,1290 82,1291 28,1292 12.63,1293 4.459,1294 3.524,1295 48.289,1296 181,1297 152,1298 0.128,1299 241.62,1300 403.99,1301 581.312,1302 52275,1304 22.46,1305 0.681,1306 0.573,1307 22.46,1308 18.898,1309 16.297,1310 0.44,1311 0.321,1312 11.746,1313 15.744,1314 11.544,1315 9.525,1316 16.297,1317 11.892,1318 13.999,1319 0.28,1320 0.178,1321 13.999,1322 8.916,1323 12.299,1324 0.184,1325 0.101,1326 12.299,1327 6.764,1328 10.246,1329 0.119,1330 0.057,1331 10.246,1332 4.898,1333 7.917,1334 0.078,1335 0.034,1336 7.917,1337 3.445,1338 0.21,1339 101.494,1340 0.197,1341 31.603,1342 0.325,1343 174,1344 413.396,1345 186.929,1346 407.196,1347 570.83,1348 386,1349 204,1350 428.569,1351 218.373,1352 436.118,1353 635.4,1354 412,1355 8.259} {0 CHEMBL147979,1 1.428,2 15.765,3 3.347,4 11.2,5 138.437,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.303,13 3.787,14 4.874,15 5.07,16 4.116,17 4.256,18 5.758,19 4.182,20 5.17,21 5.418,22 4.119,23 4.418,24 5.952,25 4.285,26 5.273,27 5.545,28 4.059,29 4.426,30 6.032,31 4.267,32 5.286,33 5.581,34 3.992,35 4.362,36 6.022,37 4.195,38 5.174,39 5.454,40 3.971,41 4.304,42 5.915,43 4.152,44 5.146,45 5.418,46 3.942,47 4.274,48 5.925,49 4.121,50 5.127,51 5.419,52 3.776,53 4.203,54 5.858,55 4.026,56 0.103,57 1.046,58 15.933,59 6.109,60 13.488,61 8.832,62 0.281,63 1.703,64 29.169,65 10.323,66 24.832,67 15.31,68 0.337,69 2.057,70 39.924,71 14.57,72 34.25,73 21.788,74 0.334,75 2.164,76 44.838,77 15.901,78 40.492,79 24.012,80 0.46,81 2.08,82 46.306,83 15.875,84 50.722,85 23.949,86 0.359,87 1.911,88 40.959,89 14.402,90 36.779,91 21.59,92 0.386,93 1.877,94 39.848,95 13.866,96 40.152,97 20.735,98 0.469,99 1.793,100 39.549,101 13.052,102 43.312,103 20.004,104 3,105 51,106 0.224,107 0.565,108 0.755,109 0.835,110 0.855,111 0.855,112 3.56,113 0.976,114 -4.79,115 -4.7,116 -4.41,119 39.7,121 4,122 1,125 5,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 5,176 5,178 12,182 4,185 1,186 8,189 8,193 6,197 5,199 6,203 6,206 2,208 4,211 9,215 4,218 1,220 3,222 10,226 4,229 2,231 1,233 8,236 1,237 5,240 1,242 3,244 5,249 2,254 2,256 4,259 2170,260 23.869,261 23.869,262 23.869,263 23.869,264 23.869,265 21.455,266 26.909,267 14.36,268 24.285,269 18.734,270 18.734,271 18.734,272 18.734,273 18.734,274 15.182,275 30.116,276 6.752,277 19.424,278 4.66,279 2.489,280 1.28,281 0.769,282 0.647,283 0.647,284 4.272,289 1,290 1190,291 3.606,294 188.736,295 361.439,298 161.74,302 2.512,303 18.123,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 72,315 536,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.147,327 6.128,328 3.817,329 2.838,330 3.731,331 0.657,332 8.979,333 2.78,334 4.07,335 2.896,336 6.095,337 3.69,338 2.753,339 3.548,341 8.884,342 2.579,343 3.657,344 2.863,345 5.49,346 3.605,347 2.643,348 2.813,350 7.385,351 2.55,352 3.433,353 2.365,354 5.15,355 3.18,356 2.223,357 2.661,359 6.388,360 2.117,361 3.269,362 2.179,363 5.109,364 3,365 2.024,366 2.59,368 5.994,369 1.968,370 3.241,371 1.968,372 4.514,373 2.836,374 1.858,375 2.39,377 4.655,378 1.814,379 3.123,380 1.795,381 4.454,382 2.73,383 1.776,384 2.184,386 4.501,387 1.69,388 2.742,389 1.38,390 4.134,391 2.319,392 1.334,393 1.847,395 3.482,396 1.314,397 2.547,398 1.349,399 3.522,400 2.19,401 1.213,402 1.559,404 2.739,405 1.183,406 2.5,407 1.248,408 3.468,409 2.091,410 1.125,411 1.5,413 2.534,414 1.084,415 2.427,416 1.128,417 3.414,418 2,419 1,420 1.401,422 2.275,423 1,424 2.26,425 1.077,426 3.32,427 1.984,428 1,429 1.204,431 2.136,432 0.983,433 2.118,434 1,435 3.247,436 1.866,437 0.903,438 1,440 2.103,441 0.867,442 2,443 0.927,444 3.195,445 1.688,446 0.764,447 0.927,449 1.599,450 0.701,451 16.233,452 0.477,453 0.547,454 0.016,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 32.617,462 0.959,463 37.167,464 0.547,465 28.086,466 0.826,467 7.718,468 0.227,469 9.08,470 0.267,471 0.021,473 0.265,479 0.963,480 1.363,481 0.898,482 1.12,483 0.874,484 1.022,485 1.115,486 1.113,487 1.064,488 1.04,489 0.88,490 1.042,491 0.788,492 1.069,493 1.018,494 1.084,495 0.614,496 1.075,497 0.84,498 1.088,499 1.024,500 1.114,501 0.72,502 1.092,503 0.939,504 0.882,505 0.921,506 0.928,507 1.022,508 0.928,509 0.911,510 0.955,511 0.925,512 0.978,513 0.949,514 0.961,515 1.012,516 1.034,517 1.006,518 1.053,519 1.183,520 1.041,521 1.036,522 0.887,523 1.062,524 0.951,525 1.104,526 1.001,527 5,528 0.099,529 3.556,530 1.194,531 1.037,532 0.965,533 0.545,534 0.237,535 0.229,536 0.201,537 21490,538 47928,539 2.182,540 50,541 2,542 19,543 1,544 2,545 3,547 7,550 1.752,551 2.125,552 3.905,553 0.782,559 97.082,560 1.428,561 3.599,562 4.808,563 5.319,564 5.44,565 5.44,566 3.363,567 4.514,568 5.061,569 4.134,570 2319.09,571 8.827,572 38987.6,577 413.947,578 1.012,579 5.053,580 0.132,581 0.004,582 0.07,583 0.024,584 0.024,585 0.024,586 0.013,587 0.006,588 0.007,589 0.007,590 0.31,591 0.17,592 0.88,593 0.449,594 188.424,595 0.02,596 -0.108,597 0.064,598 -0.012,599 0.026,600 0.02,601 -0.092,602 0.053,603 -0.086,604 -0.002,605 -0.063,606 -0.038,607 -0.002,608 -0.046,609 -0.058,610 -0.056,611 0.061,612 -0.061,613 -0.03,614 -0.122,615 -0.058,616 -0.111,617 0.04,618 -0.089,619 0.024,620 0.027,621 0.065,622 0.045,623 0.013,624 0.056,625 0.012,626 -0.02,627 0.054,628 0.016,629 0.025,630 0.035,631 0.002,632 -0.085,633 -0.021,634 -0.062,635 -0.069,636 -0.051,637 -0.041,638 0.05,639 -0.071,640 0.007,641 -0.125,642 -0.03,643 1.364,644 3.776,645 0.765,646 43.391,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.951,654 4.234,655 4.466,656 4.625,657 4.691,658 4.812,659 4.92,660 4.984,661 5.037,662 9.34,663 0.606,664 458.67,665 3.664,666 5.187,667 6.033,668 6.891,669 7.749,670 8.612,671 9.476,672 10.342,673 11.209,674 12.079,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 2,741 1,743 5,745 16,746 11,747 1,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 34,832 1,833 9,834 1,837 2,838 1,844 1,847 1.5,848 1,854 16,855 11.583,856 7.611,857 4.25,858 3.48,859 1.422,860 0.983,861 7.592,862 11.736,863 3.902,864 4.454,865 5.042,866 5.613,867 6.039,868 6.361,869 6.8,870 7.203,871 7.387,872 7.61,873 1,874 49,875 12.585,877 5.3,878 7.485,879 24.974,881 21.097,883 1.985,884 67.5,888 364.904,889 134.501,890 73.146,892 42.683,895 134.501,896 407.588,897 73.146,899 18.561,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 207.646,908 42.683,911 282.506,912 82.398,913 42.683,915 75.618,916 98.702,917 33.326,919 364.904,920 115.829,921 134.501,924 364.904,925 32.406,926 107.118,927 34.796,928 76.009,929 364.904,930 115.829,931 134.501,933 0.568,934 0.338,935 0.183,936 0.092,937 24,938 9,939 0.139,940 10,941 1,942 1.077,943 4.812,944 303.716,945 0.077,946 26,947 158.219,951 23.097,952 11.175,953 5.713,954 2.463,955 97.144,956 22.314,957 7.836,958 3.416,961 3.623,962 1.942,963 77.48,964 615.234,965 48.5,975 67.309,976 77.012,977 0.235,978 0.591,979 0.79,980 0.874,981 0.894,982 0.894,983 5.119,984 1.776,985 5.979,986 4.655,987 4.635,988 5.142,989 1.038,990 6.744,991 4.566,992 6.278,993 1.334,994 7.503,995 4.501,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.911,1001 7.553,1002 1.213,1003 9.128,1004 3.482,1005 6.18,1006 7.289,1007 0.607,1008 10.638,1009 6.05,1010 8.867,1011 1.125,1012 10.816,1013 2.739,1014 6.463,1015 7.862,1016 0.268,1017 12.33,1018 6.304,1019 10.221,1020 1,1021 12.546,1022 2.534,1023 8.005,1024 9.791,1025 0.359,1026 14.89,1027 7.822,1028 11.602,1029 1,1030 14.305,1031 2.275,1032 8.708,1033 10.837,1034 0.188,1035 16.933,1036 8.499,1037 13.005,1038 0.903,1039 16.084,1040 2.136,1041 9.989,1042 12.509,1043 0.214,1044 19.323,1045 9.761,1046 3.118,1047 0.764,1048 17.879,1049 2.103,1050 10.896,1051 13.788,1052 0.125,1053 21.517,1054 10.646,1055 2.838,1056 10.431,1057 19.684,1058 1.599,1059 12.068,1060 15.352,1061 0.129,1062 23.851,1063 11.8,1064 2.753,1065 8.979,1066 21.499,1067 4.518,1068 13.075,1069 16.745,1070 0.082,1071 26.112,1072 12.789,1073 2.643,1074 8.884,1075 23.321,1076 3.731,1077 14.202,1078 18.266,1079 0.079,1080 28.431,1081 13.899,1082 2.223,1083 7.385,1084 25.15,1085 3.548,1086 15.258,1087 19.715,1088 0.054,1089 30.725,1090 14.939,1091 2.024,1092 6.388,1093 26.983,1094 2.813,1095 16.369,1096 21.221,1097 0.048,1098 33.044,1099 16.036,1100 1.858,1101 5.994,1102 28.821,1103 2.661,1104 17.452,1105 22.697,1106 0.035,1107 35.354,1108 17.103,1109 19707,1110 29619,1111 26.523,1112 44.148,1113 56.29,1114 56.119,1115 56.561,1116 55.76,1117 55.81,1118 71.186,1119 2.915,1120 154.126,1121 53.849,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 8.25,1132 1.481,1133 1.477,1134 1.488,1135 1.467,1136 1.469,1137 1.873,1138 0.077,1139 4.056,1140 1.417,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.456,1146 4.07,1147 3.955,1148 4.002,1149 3.871,1150 3.873,1151 5.135,1152 3.867,1153 3.866,1154 3.922,1155 3.79,1156 3.736,1157 4.927,1158 3.73,1159 3.824,1160 3.896,1161 3.745,1162 3.588,1163 4.753,1164 3.625,1165 3.575,1166 3.646,1167 3.436,1168 3.41,1169 4.375,1170 3.409,1171 3.469,1172 3.532,1173 3.33,1174 3.292,1175 4.258,1176 3.294,1177 3.296,1178 3.361,1179 3.183,1180 3.133,1181 4.139,1182 3.136,1183 3.158,1184 3.244,1185 2.987,1186 2.941,1187 3.915,1188 2.931,1189 0.12,1190 0.084,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.196,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.092,1210 2.069,1211 1.468,1212 2.08,1213 1.929,1214 1.897,1215 2.045,1216 2.047,1217 1.288,1218 2.046,1219 1.859,1220 1.802,1221 2.026,1222 1.997,1223 1.203,1224 2.011,1225 1.673,1226 1.618,1227 1.884,1228 1.839,1229 1.122,1230 1.858,1231 1.472,1232 1.406,1233 1.698,1234 1.709,1235 0.882,1236 1.708,1237 1.404,1238 1.334,1239 1.592,1240 1.656,1241 0.825,1242 1.639,1243 1.329,1244 1.266,1245 1.513,1246 1.536,1247 0.788,1248 1.54,1249 1.153,1250 1.064,1251 1.502,1252 1.442,1253 0.65,1254 1.429,1255 4.344,1257 5.638,1258 3.045,1259 7.124,1260 5.283,1261 8.693,1262 7.286,1263 10.307,1270 9.776,1271 9.233,1272 3.582,1275 0.708,1276 2.606,1280 41.218,1281 97.082,1282 244.7,1283 326.928,1284 361.683,1285 369.947,1286 369.947,1287 49.331,1288 8.256,1289 82,1290 82,1291 28,1292 12.623,1293 4.459,1294 3.524,1295 50.515,1296 196,1297 166,1298 0.123,1299 251.212,1300 421.29,1301 604.718,1302 56520,1304 23.167,1305 0.681,1306 0.577,1307 23.167,1308 19.606,1309 16.797,1310 0.442,1311 0.325,1312 12.217,1313 16.236,1314 11.998,1315 9.915,1316 16.797,1317 12.365,1318 14.34,1319 0.281,1320 0.183,1321 14.34,1322 9.356,1323 12.609,1324 0.185,1325 0.105,1326 12.609,1327 7.133,1328 10.402,1329 0.121,1330 0.059,1331 10.402,1332 5.057,1333 7.891,1334 0.078,1335 0.035,1336 7.891,1337 3.567,1338 0.203,1339 104.586,1340 0.194,1341 32.548,1342 0.309,1343 178,1344 417.396,1345 190.263,1346 411.77,1347 575.57,1348 390,1349 208,1350 430.287,1351 221.846,1352 438.95,1353 636.65,1354 414,1355 8.229} {0 CHEMBL148022,1 1.44,2 15.382,3 4.405,4 19.408,5 136.839,6 7.103,7 0.684,8 4.255,9 4.381,10 3.783,11 3.81,12 5.322,13 3.783,14 4.773,15 4.934,16 4.116,17 4.212,18 5.77,19 4.158,20 5.005,21 5.209,22 4.139,23 4.318,24 5.936,25 4.229,26 5.062,27 5.286,28 4.055,29 4.289,30 5.948,31 4.18,32 5.025,33 5.266,34 4.006,35 4.208,36 5.938,37 4.093,38 4.971,39 5.204,40 3.899,41 4.164,42 5.883,43 4.052,44 4.873,45 5.102,46 3.865,47 4.15,48 5.786,49 4.025,50 4.857,51 5.099,52 3.827,53 4.106,54 5.705,55 3.98,56 0.078,57 0.92,58 14.019,59 5.803,60 13.35,61 7.762,62 0.183,63 1.45,64 24.885,65 10.081,66 25.022,67 13.469,68 0.231,69 1.738,70 32.739,71 12.969,72 35.774,73 17.723,74 0.297,75 1.792,76 35.604,77 13.451,78 37.408,79 18.548,80 0.394,81 1.709,82 34.82,83 13.098,84 42.857,85 18.324,86 0.53,87 1.582,88 33.667,89 11.988,90 49.299,91 16.35,92 0.327,93 1.499,94 29.272,95 11.55,96 39.345,97 16.144,98 0.207,99 1.446,100 29.058,101 11.608,102 31.609,103 16.219,104 13,105 52,106 0.227,107 0.545,108 0.697,109 0.759,110 0.759,111 0.759,112 3.56,113 0.921,114 -3.82,115 -3.78,116 -3.59,119 43.8,121 2,125 4,140 10,141 6,142 2,149 2,150 2,161 2,162 2,163 2,169 14,172 6,176 8,178 14,180 2,182 8,186 8,189 11,191 2,193 6,197 2,199 8,201 2,203 4,206 2,207 2,208 2,210 2,211 14,213 2,214 1,220 2,222 18,224 2,228 2,229 2,231 4,233 18,235 2,237 4,242 4,244 12,249 4,254 6,256 6,258 2,259 2164,260 23.773,261 23.773,262 23.773,263 23.773,264 23.773,265 20.79,266 21.864,267 14.299,268 24.157,269 18.744,270 18.744,271 18.744,272 18.744,273 18.744,274 14.113,275 23.036,276 6.667,277 19.37,278 4.56,279 2.543,280 1.582,281 1.188,282 1.188,283 1.188,284 4.273,289 1,290 1156,291 3.606,294 175.941,295 306.779,298 304.48,302 2.419,303 21.776,306 0.75,307 0.5,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.71,314 72,315 523,316 4.551,317 3.199,318 6.546,319 4.076,320 3.092,321 4.504,322 1.151,323 10.36,324 3.043,325 4.55,326 3.191,327 6.546,328 4.076,329 3.092,330 4.504,331 1.151,332 10.36,333 3.042,334 4.077,335 3.008,336 5.613,337 3.695,338 2.709,339 3.674,341 7.779,342 2.673,343 3.728,344 2.848,345 5.337,346 3.351,347 2.413,348 3.136,350 6.928,351 2.262,352 3.696,353 2.623,354 5.295,355 3.292,356 2.339,357 3.119,359 6.802,360 2.223,361 3.379,362 2.343,363 5.106,364 3.041,365 2.054,366 2.687,368 5.977,369 2.024,370 3.344,371 2.15,372 5.093,373 2.935,374 1.965,375 2.673,377 5.91,378 1.895,379 3.306,380 2.118,381 4.938,382 2.902,383 1.929,384 2.585,386 5.773,387 1.87,388 2.749,389 1.456,390 4.157,391 2.307,392 1.33,393 1.855,395 3.516,396 1.297,397 2.742,398 1.396,399 4.155,400 2.303,401 1.323,402 1.845,404 3.506,405 1.294,406 2.687,407 1.382,408 3.524,409 2.234,410 1.245,411 1.77,413 2.713,414 1.23,415 2.337,416 1.22,417 3.356,418 2.023,419 1.076,420 1.299,422 2.15,423 1.016,424 2.336,425 1.176,426 3.348,427 2.023,428 1.073,429 1.297,431 2.144,432 1.015,433 2.021,434 1.027,435 3.221,436 1.694,437 0.764,438 0.934,440 1.664,441 0.704,442 2.013,443 1.02,444 3.158,445 1.674,446 0.741,447 0.917,449 1.583,450 0.686,451 16.267,452 0.478,453 0.615,454 0.018,455 44.5,456 1.309,457 23,458 0.676,459 21.5,460 0.632,461 28.12,462 0.827,463 35.933,464 0.561,465 33.676,466 0.99,467 8.956,468 0.263,469 7.773,470 0.229,471 0.049,473 0.307,479 1.059,480 1.064,481 0.868,482 0.949,483 1.209,484 0.884,485 1.232,486 1.051,487 0.967,488 1.004,489 1.019,490 0.964,491 1.103,492 1.08,493 0.995,494 1.09,495 0.918,496 1.043,497 1.238,498 1.09,499 1.08,500 1.114,501 0.945,502 1.088,503 0.907,504 0.988,505 0.948,506 1.071,507 0.824,508 1.028,509 1.595,510 0.832,511 1.118,512 0.854,513 1.342,514 0.93,515 0.837,516 0.956,517 1.031,518 1.037,519 0.799,520 1.058,521 0.847,522 0.977,523 0.911,524 1.005,525 0.754,526 0.98,527 6,528 0.132,529 3.333,530 1.708,531 1.689,532 0.806,533 0.436,534 0.477,535 0.207,536 0.24,537 20282,538 45841,539 2.163,540 46.9,542 18,543 2,545 6,547 4,550 1.754,551 2.082,552 3.871,553 3.028,559 92.187,560 1.44,561 3.457,562 4.418,563 4.813,564 4.813,565 4.813,566 3.315,567 3.867,568 5.061,569 4.067,570 2281.75,571 8.841,572 37372,574 1,577 384,578 1.166,579 5.043,580 0.158,581 0.004,582 0.064,583 0.033,584 0.038,585 0.019,586 0.011,587 0.013,588 0.006,589 0.007,590 0.353,591 0.17,592 0.88,593 0.871,594 186.936,595 -0.095,596 0.107,597 0.036,598 0.079,599 -0.188,600 0.082,601 -0.119,602 0.023,603 -0.026,604 0.021,605 -0.091,606 0.013,607 -0.058,608 -0.079,609 -0.033,610 -0.076,611 -0.031,612 -0.054,613 -0.094,614 -0.112,615 -0.094,616 -0.119,617 -0.075,618 -0.107,619 0.175,620 -0.025,621 0.046,622 -0.084,623 0.154,624 -0.043,625 -0.133,626 0.121,627 -0.093,628 0.127,629 -0.179,630 0.035,631 0.052,632 0.024,633 -0.069,634 -0.026,635 0.07,636 -0.057,637 -0.005,638 -0.036,639 0.055,640 0.015,641 0.034,642 0.036,643 1.006,644 2.596,645 0.706,646 40.215,647 0.993,648 1.122,649 2.592,650 6.72,651 0.669,652 3.664,653 3.97,654 4.263,655 4.543,656 4.745,657 4.796,658 4.905,659 5.017,660 5.043,661 5.136,662 8.873,663 0.631,664 454.62,665 3.664,666 5.198,667 6.052,668 6.927,669 7.797,670 8.676,671 9.553,672 10.434,673 11.313,674 12.195,675 6.3,676 2,683 2,687 4,688 12,690 2,693 6,695 26,712 2,714 64,716 26,717 3,718 38,720 68,721 28,722 22,723 8,724 10,730 5,731 7,736 2,743 2,745 22,746 6,764 30,765 4,766 6,767 6,773 4,777 0.6,778 2,788 2,792 2,793 3,796 2,812 2,819 3,827 34,828 2,833 6,835 2,847 3.1,852 2,854 16.333,855 11,856 7.611,857 3.736,858 5.153,859 1.604,860 1.04,861 6.973,862 13.69,863 3.951,864 4.595,865 5.244,866 5.876,867 6.386,868 6.668,869 7.036,870 7.414,871 7.484,872 7.797,873 1,874 51,875 12.541,877 5.287,878 7.549,879 24.464,881 20.323,883 2.049,884 69.667,888 282.506,889 163.986,890 99.365,892 22,895 163.986,896 304.506,897 99.365,899 84.26,900 112.857,902 83.946,903 27.83,904 258.964,906 282.506,907 263.351,908 22,911 235.422,912 69.084,915 117.831,916 145.521,919 282.506,920 121.365,921 163.986,924 282.506,925 51.129,926 112.857,927 33.571,928 87.794,929 282.506,930 121.365,931 163.986,933 0.568,934 0.336,935 0.193,936 0.107,937 25,938 10,939 0.147,940 10,941 2,942 1.167,943 4.716,944 309.981,945 0.167,946 24,947 140.974,951 22.689,952 10.449,953 5.21,954 4.532,955 87.794,956 24.623,958 6.588,961 6.331,963 99.365,964 567.858,965 51,975 63.549,976 71.81,977 0.24,978 0.576,979 0.736,980 0.802,981 0.802,982 0.802,983 5.168,984 1.929,985 6.014,986 5.91,987 4.654,988 5.283,989 1.84,990 6.806,991 4.593,992 6.375,993 1.33,994 7.552,995 5.773,996 4.111,997 5.094,999 7.644,1000 4.05,1001 7.684,1002 1.323,1003 9.189,1004 3.516,1005 6.225,1006 7.571,1007 2.081,1008 10.744,1009 6.121,1010 9.035,1011 1.245,1012 10.886,1013 3.506,1014 6.553,1015 8.277,1017 12.452,1018 6.449,1019 10.42,1020 1.076,1021 12.622,1022 2.713,1023 8.077,1024 10.179,1025 2.331,1026 15.044,1027 7.943,1028 11.831,1029 1.073,1030 14.386,1031 2.15,1032 8.817,1033 11.306,1035 17.12,1036 8.681,1037 13.262,1038 0.764,1039 16.172,1040 2.144,1041 10.098,1042 12.974,1043 2.588,1044 19.543,1045 9.94,1046 3.092,1047 0.741,1048 17.973,1049 1.664,1050 11.039,1051 14.303,1053 21.774,1054 10.875,1055 3.092,1056 10.36,1057 19.789,1058 1.583,1059 12.219,1060 15.872,1061 2.851,1062 24.14,1063 12.037,1064 2.709,1065 10.36,1066 21.615,1067 4.504,1068 13.256,1069 17.296,1071 26.434,1072 13.064,1073 2.413,1074 7.779,1075 23.45,1076 4.504,1077 14.397,1078 18.825,1079 3.117,1080 28.78,1081 14.19,1082 2.339,1083 6.928,1084 25.292,1085 3.674,1086 15.478,1087 20.291,1089 31.1,1090 15.259,1091 2.054,1092 6.802,1093 27.141,1094 3.136,1095 16.605,1096 21.804,1097 3.387,1098 33.44,1099 16.371,1100 1.965,1101 5.977,1102 28.996,1103 3.119,1104 17.708,1105 23.29,1107 35.77,1108 17.46,1109 18742,1110 28308,1111 26.235,1112 42.83,1113 56.518,1114 56.888,1115 57.777,1116 56.243,1117 56.322,1118 76.133,1119 4.603,1120 158.806,1121 54.422,1122 5.403,1123 5.199,1124 6.313,1125 5.162,1126 5.092,1127 7.504,1128 2.302,1129 17.015,1130 5.043,1131 11.997,1132 1.487,1133 1.497,1134 1.52,1135 1.48,1136 1.482,1137 2.004,1138 0.121,1139 4.179,1140 1.432,1141 4.151,1142 4.183,1143 4.108,1144 4.064,1145 5.058,1146 4.071,1147 4.111,1148 4.143,1149 4.072,1150 4.027,1151 5.021,1152 4.034,1153 3.926,1154 3.953,1155 3.862,1156 3.867,1157 4.966,1158 3.862,1159 3.573,1160 3.632,1161 3.466,1162 3.426,1163 4.954,1164 3.426,1165 3.557,1166 3.626,1167 3.437,1168 3.417,1169 4.765,1170 3.413,1171 3.402,1172 3.467,1173 3.259,1174 3.175,1175 4.573,1176 3.186,1177 3.355,1178 3.422,1179 3.224,1180 3.124,1181 4.477,1182 3.138,1183 3.184,1184 3.248,1185 3.046,1186 3.029,1187 4.022,1188 3.025,1189 0.12,1190 0.084,1191 0.172,1192 0.107,1193 0.081,1194 4.551,1195 0.119,1196 3.199,1197 0.03,1198 6.546,1199 0.273,1200 4.076,1201 0.08,1202 3.092,1203 4.504,1204 1.151,1205 10.36,1206 3.043,1207 1.958,1208 1.94,1209 2.058,1210 2.053,1211 1.232,1212 2.054,1213 1.935,1214 1.917,1215 2.019,1216 2.022,1217 1.225,1218 2.021,1219 1.897,1220 1.874,1221 1.998,1222 1.969,1223 1.187,1224 1.981,1225 1.649,1226 1.591,1227 1.851,1228 1.846,1229 1.017,1230 1.854,1231 1.648,1232 1.589,1233 1.849,1234 1.845,1235 1.012,1236 1.853,1237 1.318,1238 1.264,1239 1.543,1240 1.599,1241 0.74,1242 1.586,1243 1.288,1244 1.204,1245 1.524,1246 1.575,1247 0.556,1248 1.568,1249 1.239,1250 1.164,1251 1.492,1252 1.473,1253 0.555,1254 1.481,1255 4.344,1257 5.652,1258 3.045,1259 7.152,1260 5.416,1261 8.742,1262 7.516,1263 10.381,1269 11.473,1271 3.927,1273 12.193,1280 40.364,1281 92.187,1282 221.232,1283 282.781,1284 308,1285 308,1286 308,1287 47.743,1288 8.537,1289 102.08,1290 102.08,1291 28,1292 12.73,1293 4.755,1294 3.807,1295 50.379,1296 185,1297 169,1298 0.13,1299 245.357,1300 409.2,1301 590.432,1302 79756,1304 23.33,1305 0.686,1306 0.563,1307 23.33,1308 19.142,1309 16.729,1310 0.44,1311 0.307,1312 11.538,1313 16.242,1314 11.297,1315 9.359,1316 16.729,1317 11.668,1318 14.512,1319 0.279,1320 0.164,1321 14.512,1322 8.517,1323 12.518,1324 0.179,1325 0.087,1326 12.518,1327 6.108,1328 10.726,1329 0.115,1330 0.047,1331 10.726,1332 4.362,1333 8.72,1334 0.076,1335 0.025,1336 8.72,1337 2.883,1338 0.213,1339 103.806,1340 0.195,1341 32.232,1342 0.333,1343 180,1344 444.761,1345 191.915,1346 436.508,1347 615.32,1348 414,1349 212,1350 463.698,1351 224.305,1352 474.183,1353 694.94,1354 448,1355 9.456} {0 CHEMBL148071,1 1.593,2 15.405,3 2.486,4 6.178,5 148.693,6 7.247,7 0.512,8 4.37,9 4.501,10 4.033,11 3.904,12 5.345,13 3.855,14 4.95,15 5.137,16 4.28,17 4.315,18 6.044,19 4.244,20 5.239,21 5.479,22 4.217,23 4.463,24 6.106,25 4.338,26 5.311,27 5.572,28 4.209,29 4.497,30 6.092,31 4.342,32 5.358,33 5.637,34 4.266,35 4.502,36 6.147,37 4.338,38 5.337,39 5.604,40 4.32,41 4.509,42 6.174,43 4.358,44 5.344,45 5.597,46 4.297,47 4.501,48 6.261,49 4.346,50 5.33,51 5.6,52 4.049,53 4.384,54 6.225,55 4.214,56 0.129,57 1.155,58 19.303,59 6.686,60 20.133,61 9.097,62 0.472,63 1.845,64 34.092,65 11.399,66 66.744,67 15.893,68 0.489,69 2.19,70 45.169,71 15.166,72 61.41,73 21.737,74 0.425,75 2.3,76 48.931,77 16.86,78 57.892,79 24.637,80 0.509,81 2.341,82 52.705,83 17.983,84 63.453,85 26.092,86 0.471,87 2.346,88 53.679,89 17.516,90 62.242,91 24.676,92 0.53,93 2.323,94 55.804,95 18.331,96 76.055,97 24.846,98 0.646,99 2.137,100 54.799,101 16.765,102 90.06,103 23.616,104 13,105 57,106 0.246,107 0.568,108 0.757,109 0.832,110 0.849,111 0.849,112 3.642,113 1.08,114 -3.97,115 -3.92,116 -3.72,119 37.5,121 4,124 1,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 3,172 5,174 2,176 6,178 12,182 3,185 1,186 6,189 8,193 6,195 1,197 5,199 7,203 8,206 3,208 5,211 8,215 9,218 1,220 2,222 7,226 13,229 3,231 1,233 4,236 1,237 7,242 3,244 3,248 2,249 1,254 2,256 5,259 2701,260 25.101,261 25.101,262 25.101,263 25.101,264 25.101,265 22.31,266 30.305,267 14.945,268 25.597,269 20.301,270 20.301,271 20.301,272 20.301,273 20.301,274 16.106,275 41.355,276 7.161,277 21.147,278 4.577,279 2.497,280 1.275,281 0.792,282 0.677,283 0.677,284 4.348,289 1,290 1248,291 4.359,294 211.562,295 400.313,298 182.194,302 2.427,303 29.254,306 0.75,307 0.5,308 0.67,309 0.7,310 0.5,311 0.67,312 0.5,313 0.61,314 79.5,315 570,316 4.624,317 4.307,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.568,326 3.197,327 6.404,328 4.045,329 3.111,330 4.424,331 0.657,332 9.978,333 2.897,334 4.129,335 3.174,336 6.152,337 3.834,338 2.862,339 3.731,341 9.134,342 2.77,343 4.081,344 2.893,345 6.095,346 3.69,347 2.753,348 3.55,350 8.884,351 2.578,352 3.649,353 2.858,354 5.478,355 3.556,356 2.602,357 2.813,359 7.336,360 2.483,361 3.433,362 2.393,363 5.15,364 3.15,365 2.197,366 2.674,368 6.375,369 2.089,370 3.288,371 2.18,372 5.109,373 2.999,374 2.023,375 2.591,377 5.994,378 1.964,379 3.244,380 1.885,381 4.514,382 2.768,383 1.788,384 2.395,386 4.655,387 1.752,388 3.032,389 1.794,390 4.408,391 2.729,392 1.771,393 2.109,395 4.411,396 1.689,397 2.742,398 1.374,399 4.133,400 2.314,401 1.329,402 1.847,404 3.481,405 1.308,406 2.502,407 1.37,408 3.526,409 2.166,410 1.185,411 1.5,413 2.728,414 1.16,415 2.5,416 1.173,417 3.476,418 2.083,419 1.119,420 1.498,422 2.531,423 1.077,424 2.423,425 1.077,426 3.414,427 2,428 1,429 1.396,431 2.275,432 1,433 2.254,434 1,435 3.325,436 1.984,437 1,438 1.195,440 2.136,441 0.983,442 2.118,443 0.998,444 3.273,445 1.861,446 0.896,447 1,449 2.1,450 0.863,451 17.8,452 0.481,453 0.9,454 0.024,455 45.25,456 1.223,457 21,458 0.568,459 24.25,460 0.655,461 36.552,462 0.988,463 41,464 0.569,465 34.3,466 0.927,467 8.495,468 0.23,469 9.448,470 0.255,471 0.066,472 0.047,473 0.242,479 0.653,480 1.453,481 0.865,482 1.255,483 0.648,484 1.034,485 0.822,486 1.161,487 1.095,488 1.117,489 0.498,490 1.039,491 1.113,492 0.989,493 1.023,494 0.969,495 1.026,496 1.051,497 0.754,498 1.047,499 0.915,500 1.024,501 0.652,502 1.087,503 0.6,504 0.975,505 0.803,506 0.928,507 0.531,508 0.957,509 0.882,510 0.963,511 0.981,512 0.98,513 0.715,514 0.959,515 1.037,516 1.032,517 1.157,518 1.157,519 1.127,520 1.073,521 1.316,522 0.963,523 1.164,524 1.073,525 1.534,526 1.072,527 7.5,528 0.128,529 3.778,530 1.444,531 1.437,532 1.16,533 0.852,534 0.555,535 0.335,536 0.235,537 25433,538 65533,539 2.126,540 48.6,541 2,542 21,543 1,544 2,545 3,547 2,548 4,550 1.776,551 2.027,552 3.849,553 0.809,559 114.676,560 1.593,561 3.673,562 4.895,563 5.378,564 5.493,565 5.493,566 3.237,567 4.554,568 5.185,569 4.128,570 2749.39,571 9.09,572 48765.2,577 444.235,578 1.336,579 5.153,580 0.183,581 0.004,582 0.066,583 0.028,584 0.029,585 0.023,586 0.016,587 0.011,588 0.009,589 0.008,590 0.377,591 0.33,592 0.63,593 0.857,594 209.142,595 0.12,596 -0.162,597 0.195,598 -0.071,599 -0.089,600 0.014,601 0.154,602 0.011,603 -0.096,604 -0.067,605 0.302,606 -0.045,607 -0.165,608 0.024,609 -0.136,610 -0.019,611 -0.108,612 -0.066,613 -0.031,614 -0.079,615 -0.044,616 -0.07,617 -0.038,618 -0.08,619 0.119,620 -0.045,621 0.11,622 0.033,623 0.082,624 0.05,625 -0.031,626 0.015,627 0.038,628 0.035,629 0.03,630 0.042,631 -0.025,632 -0.057,633 -0.067,634 -0.092,635 -0.018,636 -0.066,637 -0.149,638 -0.049,639 -0.145,640 -0.092,641 -0.152,642 -0.094,643 4.157,644 4.677,645 0.703,646 46.757,647 0.997,648 1.134,649 2.736,650 7.484,651 0.656,652 3.738,653 4.06,654 4.277,655 4.522,656 4.718,657 4.804,658 4.949,659 5.056,660 5.1,661 5.147,662 9.475,663 0.613,664 521.76,665 3.738,666 5.283,667 6.116,668 6.987,669 7.837,670 8.711,671 9.57,672 10.445,673 11.309,674 12.185,675 9.7,677 2,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 72,716 23,717 2,718 41,720 76,721 27,722 16,723 4,724 8,730 5,731 6,740 3,743 6,745 16,746 11,750 2,753 1,755 2,764 35,765 7,766 3,767 10,768 1,773 7,777 0.8,778 2,788 1,792 2,793 3,796 1,814 1,815 1,819 4,821 1,823 1,827 37,830 1,833 8,834 2,837 2,838 1,844 1,847 2.8,850 2,854 18.25,855 12.633,856 7.986,857 4.33,858 3.447,859 1.411,860 1,861 8.256,862 11.824,863 3.998,864 4.595,865 5.074,866 5.638,867 6.076,868 6.409,869 6.852,870 7.254,871 7.446,872 7.66,873 0.9,874 52,875 13.859,877 6.032,878 7.646,879 26.889,881 22.793,883 2.146,884 79.417,888 376.675,889 147.498,890 89.551,892 44.313,894 5.807,895 141.691,896 420.988,897 89.551,898 7.19,899 18.561,900 125.081,901 118.418,902 33.51,903 13.915,904 341.362,906 376.675,907 231.242,908 44.313,909 5.807,911 306.049,912 114.94,915 92.023,916 105.893,917 39.133,919 376.675,920 133.864,921 147.498,923 5.807,924 376.675,925 32.406,926 114.308,927 51.201,928 77.639,929 376.675,930 133.864,931 147.498,933 0.581,934 0.317,935 0.168,936 0.091,937 27,938 11,939 0.145,940 11,941 1,942 1.077,943 4.937,944 344.456,945 0.077,946 26,947 176.75,950 1,951 25.928,952 11.782,953 6.993,954 2.404,955 115.179,956 22.029,957 7.826,958 3.401,961 3.506,962 1.925,963 51.201,964 658.037,965 53.5,968 -3.241,970 23.354,975 71.814,976 81.64,977 0.258,978 0.595,979 0.793,980 0.872,981 0.89,982 0.89,983 5.238,984 1.788,985 6.107,986 5.994,987 4.745,988 5.283,989 1.038,990 6.899,991 4.665,992 6.442,993 1.771,994 7.653,995 4.655,996 4.369,997 5.223,998 0.325,999 7.908,1000 4.219,1001 7.763,1002 1.329,1003 9.303,1004 4.411,1005 6.361,1006 7.534,1007 0.607,1008 10.879,1009 6.197,1010 9.124,1011 1.185,1012 11.016,1013 3.481,1014 6.815,1015 8.352,1016 0.268,1017 12.686,1018 6.578,1019 10.522,1020 1.119,1021 12.769,1022 2.728,1023 8.269,1024 10.145,1025 0.359,1026 15.202,1027 8.017,1028 11.946,1029 1,1030 14.548,1031 2.531,1032 9.08,1033 11.336,1034 0.188,1035 17.304,1036 8.765,1037 13.389,1038 1,1039 16.344,1040 2.275,1041 10.328,1042 12.943,1043 0.214,1044 19.679,1045 9.99,1046 3.118,1047 0.896,1048 18.154,1049 2.136,1050 11.302,1051 14.299,1052 0.125,1053 21.899,1054 10.912,1055 3.111,1056 10.431,1057 19.973,1058 2.1,1059 12.466,1060 15.833,1061 0.129,1062 24.228,1063 12.049,1064 2.862,1065 9.978,1066 21.799,1067 4.518,1068 13.516,1069 17.263,1070 0.082,1071 26.498,1072 13.053,1073 2.753,1074 9.134,1075 23.63,1076 4.424,1077 14.648,1078 18.771,1079 0.079,1080 28.813,1081 14.155,1082 2.602,1083 8.884,1084 25.467,1085 3.731,1086 15.734,1087 20.234,1088 0.054,1089 31.108,1090 15.201,1091 2.197,1092 7.336,1093 27.307,1094 3.55,1095 16.855,1096 21.733,1097 0.048,1098 33.421,1099 16.291,1100 2.023,1101 6.375,1102 29.15,1103 2.813,1104 17.958,1105 23.213,1106 0.035,1107 35.728,1108 17.358,1109 23614,1110 38103,1111 27.909,1112 47.256,1113 61.453,1114 62.12,1115 60.828,1116 61.208,1117 61.176,1118 79.279,1119 2.915,1120 173.597,1121 58.749,1122 5.624,1123 6.307,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 15.041,1132 1.499,1133 1.515,1134 1.484,1135 1.493,1136 1.492,1137 1.934,1138 0.071,1139 4.234,1140 1.433,1141 4.156,1142 4.194,1143 4.714,1144 4.064,1145 7.718,1146 4.071,1147 4.008,1148 4.03,1149 4.113,1150 3.947,1151 6.999,1152 3.888,1153 3.899,1154 3.917,1155 3.871,1156 3.845,1157 5.135,1158 3.746,1159 3.846,1160 3.891,1161 3.79,1162 3.701,1163 4.927,1164 3.698,1165 3.819,1166 3.87,1167 3.724,1168 3.585,1169 4.761,1170 3.622,1171 3.549,1172 3.618,1173 3.411,1174 3.394,1175 4.396,1176 3.391,1177 3.389,1178 3.454,1179 3.274,1180 3.234,1181 4.259,1182 3.226,1183 3.271,1184 3.339,1185 3.15,1186 3.111,1187 4.154,1188 3.11,1189 0.113,1190 0.105,1191 0.16,1192 0.1,1193 0.076,1194 4.624,1195 0.11,1196 4.307,1197 0.02,1198 6.566,1199 0.254,1200 4.099,1201 0.075,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.084,1210 2.075,1211 1.433,1212 2.086,1213 1.939,1214 1.908,1215 2.044,1216 2.049,1217 1.284,1218 2.049,1219 1.831,1220 1.773,1221 2.011,1222 1.986,1223 1.218,1224 2.005,1225 1.728,1226 1.757,1227 1.873,1228 1.872,1229 1.114,1230 1.934,1231 1.661,1232 1.607,1233 1.712,1234 1.827,1235 0.995,1236 1.846,1237 1.419,1238 1.35,1239 1.594,1240 1.671,1241 0.825,1242 1.655,1243 1.379,1244 1.317,1245 1.561,1246 1.591,1247 0.821,1248 1.602,1249 1.296,1250 1.231,1251 1.513,1252 1.491,1253 0.749,1254 1.51,1255 4.419,1257 5.74,1258 3.045,1259 7.233,1260 5.283,1261 8.803,1262 7.286,1263 10.415,1265 1.208,1271 7.753,1272 6.385,1275 0.324,1276 2.544,1280 44.142,1281 114.676,1282 264.432,1283 352.46,1284 387.215,1285 395.48,1286 395.48,1287 66.909,1288 8.377,1289 107.94,1290 116.32,1291 28,1292 12.726,1293 4.585,1294 3.755,1295 57.148,1296 217,1297 171,1298 0.126,1299 273.134,1300 459.59,1301 658.206,1302 63326,1304 25.667,1305 0.694,1306 0.594,1307 25.917,1308 21.993,1309 17.944,1310 0.438,1311 0.36,1312 12.87,1313 16.525,1314 12.426,1315 10.277,1316 18.87,1317 14.766,1318 16.69,1319 0.293,1320 0.206,1321 18.095,1322 11.716,1323 13.04,1324 0.184,1325 0.111,1326 13.487,1327 7.855,1328 10.718,1329 0.118,1330 0.062,1331 11.027,1332 5.631,1333 8.512,1334 0.077,1335 0.037,1336 8.879,1337 4.136,1338 0.207,1339 121.406,1340 0.189,1341 34.582,1342 0.321,1343 196,1344 513.911,1345 243.051,1346 523.227,1347 715.09,1348 486,1349 226,1350 508.565,1351 279.538,1352 547.681,1353 782.58,1354 512,1355 7.824} {0 CHEMBL148085,1 1.459,2 14.226,3 2.919,4 8.521,5 125.465,6 6.862,7 0.571,8 4.212,9 4.35,10 3.731,11 3.706,12 5.203,13 3.681,14 4.787,15 4.991,16 4.057,17 4.138,18 5.656,19 4.082,20 5.026,21 5.264,22 3.994,23 4.291,24 5.77,25 4.164,26 5.179,27 5.453,28 3.956,29 4.34,30 5.879,31 4.176,32 5.182,33 5.477,34 3.889,35 4.287,36 5.844,37 4.108,38 5.104,39 5.401,40 3.848,41 4.172,42 5.79,43 4.021,44 4.926,45 5.185,46 3.789,47 4.069,48 5.696,49 3.931,50 4.916,51 5.211,52 3.578,53 3.965,54 5.612,55 3.799,56 0.07,57 0.957,58 14.16,59 5.321,60 13.104,61 7.732,62 0.301,63 1.55,64 26.8,65 8.744,66 21.439,67 13.149,68 0.251,69 1.817,70 34.189,71 12.34,72 23.237,73 18.514,74 0.4,75 1.959,76 40.934,77 14.591,78 32.188,79 22.001,80 0.296,81 1.891,82 41.332,83 14.937,84 32.253,85 22.629,86 0.419,87 1.727,88 38.998,89 12.553,90 32.734,91 19.323,92 0.314,93 1.534,94 31.838,95 10.791,96 28.457,97 16.215,98 0.445,99 1.429,100 32.44,101 9.998,102 30.786,103 15.57,104 2,105 48,106 0.234,107 0.577,108 0.788,109 0.836,110 0.85,111 0.85,112 3.471,113 0.956,114 -4.25,115 -4.19,116 -3.96,119 39.3,121 4,124 1,125 4,127 1,140 4,141 3,142 1,149 3,150 1,158 2,164 1,169 6,171 2,172 10,176 3,178 6,182 4,186 3,189 5,192 2,193 6,197 1,199 7,203 6,206 1,211 6,215 8,218 1,222 3,226 5,229 2,233 2,236 2,237 4,242 2,244 3,249 1,256 4,259 1653,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.276,266 28.287,267 12.891,268 22.026,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.908,275 38.17,276 6.149,277 18.029,278 4.471,279 2.336,280 1.025,281 0.726,282 0.635,283 0.635,284 4.183,288 1,289 1,290 990,291 3.317,294 267.673,295 198.731,298 141.138,302 2.233,303 12.954,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 441,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.138,327 6.095,328 3.808,329 2.859,330 3.731,331 0.8,332 8.884,333 2.717,334 3.988,335 2.886,336 6.06,337 3.689,338 2.752,339 3.492,340 0.172,341 8.729,342 2.577,343 3.742,344 2.809,345 5.381,346 3.502,347 2.53,348 2.816,350 7.086,351 2.469,352 3.446,353 2.54,354 5.266,355 3.262,356 2.321,357 2.79,359 6.682,360 2.17,361 3.359,362 2.184,363 5.126,364 3.009,365 2.031,366 2.593,368 6,369 1.98,370 3.246,371 1.795,372 4.514,373 2.731,374 1.777,375 2.382,377 4.655,378 1.691,379 2.747,380 1.623,381 4.14,382 2.449,383 1.477,384 1.851,386 3.655,387 1.433,388 2.674,389 1.363,390 4.101,391 2.293,392 1.31,393 1.722,395 3.458,396 1.287,397 2.436,398 1.213,399 3.469,400 2.107,401 1.134,402 1.415,404 2.538,405 1.101,406 2.321,407 1.103,408 3.414,409 1.984,410 1,411 1.28,413 2.281,414 0.983,415 2.175,416 1.077,417 3.341,418 1.968,419 1,420 1.11,422 2.275,423 0.965,424 2.118,425 0.919,426 3.299,427 1.846,428 0.881,429 1,431 2.074,432 0.848,433 2.118,434 0.654,435 3.167,436 1.618,437 0.618,438 0.927,440 1.436,441 0.618,442 2,443 0.618,444 3,445 1.549,446 0.618,447 0.927,449 1.372,450 0.564,451 14.733,452 0.475,453 0.585,454 0.019,455 37.25,456 1.202,457 16,458 0.516,459 21.25,460 0.685,461 28.595,462 0.922,463 33.867,464 0.555,465 25.055,466 0.808,467 7.237,468 0.233,469 8.022,470 0.259,471 0.034,473 0.285,479 0.891,480 1.511,481 0.846,482 1.217,483 0.64,484 1.055,485 1.276,486 1.025,487 1.015,488 0.915,489 0.848,490 0.924,491 0.839,492 1.135,493 1.095,494 1.157,495 0.708,496 1.153,497 0.698,498 0.971,499 1.007,500 1.054,501 0.683,502 1.066,503 0.509,504 0.999,505 0.864,506 1.05,507 0.644,508 1.008,509 1.014,510 0.837,511 0.899,512 0.838,513 0.879,514 0.854,515 1.03,516 1.132,517 1.059,518 1.144,519 1.034,520 1.119,521 1.134,522 0.827,523 1.066,524 0.884,525 1.219,526 0.954,527 5,528 0.107,529 3.333,530 1.354,531 1.081,532 0.903,533 0.434,534 0.268,535 0.161,536 0.163,537 16520,538 37520,539 2.2,540 49.2,541 2,542 16,543 3,544 2,545 1,547 2,548 4,550 1.729,551 2.138,552 3.78,553 -0.361,555 1,559 89.019,560 1.459,561 3.595,562 4.906,563 5.205,564 5.295,565 5.295,566 3.244,567 4.438,568 4.927,569 3.993,570 1856.68,571 8.562,572 28442.5,574 1,577 361.775,578 1.058,579 4.918,580 0.143,581 0.004,582 0.069,583 0.031,584 0.027,585 0.024,586 0.012,587 0.008,588 0.006,589 0.007,590 0.333,591 0.17,592 0.88,593 0.32,594 165.804,595 0.081,596 -0.253,597 0.097,598 -0.117,599 0.256,600 -0.027,601 -0.124,602 0.136,603 -0.031,604 0.091,605 0.036,606 0.05,607 -0.102,608 -0.09,609 -0.148,610 -0.122,611 -0.028,612 -0.137,613 0.031,614 -0.017,615 -0.049,616 -0.043,617 0.047,618 -0.055,619 0.107,620 -0.102,621 0.089,622 -0.04,623 0.108,624 0.013,625 -0.03,626 0.069,627 0.096,628 0.121,629 0.025,630 0.124,631 -0.007,632 -0.16,633 -0.077,634 -0.149,635 -0.054,636 -0.13,637 -0.063,638 0.1,639 -0.063,640 0.055,641 -0.183,642 0.005,643 0.671,644 1.703,645 0.806,646 36.633,647 0.992,648 1.134,649 3.02,650 9.119,651 0.65,652 3.584,653 3.892,654 4.174,655 4.419,656 4.533,657 4.654,658 4.779,659 4.875,660 4.927,661 4.984,662 8.457,663 0.609,664 418.6,665 3.584,666 5.118,667 5.969,668 6.834,669 7.697,670 8.567,671 9.434,672 10.307,673 11.178,674 12.053,675 9.8,678 2,683 2,685 2,687 2,688 9,689 2,690 1,691 1,693 3,694 1,695 20,714 61,716 20,717 1,718 35,720 65,721 24,722 14,723 3,724 3,730 5,731 6,740 3,743 5,745 14,746 10,761 1,763 1,764 30,765 5,766 1,767 7,773 6,777 0.8,778 1,788 1,792 3,793 2,796 1,815 2,819 4,823 1,827 31,833 8,837 1,838 2,844 1,847 1.6,852 1,854 14.5,855 11,856 6.778,857 3.794,858 3.291,859 1.408,860 1.008,861 6.209,862 11.367,863 3.829,864 4.404,865 4.993,866 5.573,867 5.905,868 6.32,869 6.771,870 7.187,871 7.377,872 7.598,873 1,874 43,875 11.445,877 4.804,878 7.425,879 22.785,881 19.192,883 1.925,884 59.667,887 1,888 341.362,889 128.471,890 58.259,892 9.507,895 128.471,896 350.869,897 58.259,898 8.396,899 18.561,900 70.431,901 74.105,902 46.141,903 37.457,904 282.506,906 341.362,907 186.73,908 9.507,911 270.735,912 80.134,915 60.731,916 92.673,917 33.326,919 341.362,920 67.767,921 128.471,924 341.362,925 32.406,926 104.213,927 16.786,928 42.833,929 341.362,930 67.767,931 128.471,933 0.577,934 0.339,935 0.183,936 0.085,937 24,938 9,939 0.123,940 8,941 1,942 1.08,943 4.547,944 272.763,945 0.08,946 25,947 145.58,951 20.497,952 9.39,953 4.766,954 2.485,955 49.082,956 17.78,957 7.834,958 3.419,959 5.203,961 3.746,962 1.948,963 16.786,964 537.599,965 45,975 60.541,976 69.182,977 0.246,978 0.606,979 0.827,980 0.878,981 0.893,982 0.893,983 5.056,984 1.477,985 5.927,986 4.655,987 4.575,988 5.091,989 1.242,990 6.703,991 4.498,992 6.228,993 1.31,994 7.459,995 3.655,996 4.007,997 4.732,998 0.57,999 7.516,1000 3.878,1001 7.51,1002 1.134,1003 9.09,1004 3.458,1005 6.133,1006 7.254,1007 0.883,1008 10.605,1009 5.982,1010 8.832,1011 1,1012 10.783,1013 2.538,1014 6.463,1015 7.879,1016 0.581,1017 12.287,1018 6.264,1019 10.191,1020 1,1021 12.515,1022 2.281,1023 7.97,1024 9.763,1025 0.68,1026 14.853,1027 7.751,1028 11.577,1029 0.881,1030 14.275,1031 2.275,1032 8.703,1033 10.848,1034 0.515,1035 16.887,1036 8.446,1037 12.983,1038 0.618,1039 16.055,1040 2.074,1041 9.965,1042 12.486,1043 0.541,1044 19.282,1045 9.687,1046 3.118,1047 0.618,1048 17.848,1049 1.436,1050 10.889,1051 13.791,1052 0.441,1053 21.471,1054 10.583,1055 2.859,1056 10.431,1057 19.653,1058 1.372,1059 12.05,1060 15.335,1061 0.438,1062 23.809,1063 11.725,1064 2.752,1065 8.884,1066 21.467,1067 4.518,1068 13.066,1069 16.744,1070 0.373,1071 26.069,1072 12.719,1073 2.53,1074 8.729,1075 23.288,1076 3.731,1077 14.189,1078 18.255,1079 0.358,1080 28.392,1081 13.825,1082 2.321,1083 7.086,1084 25.116,1085 3.492,1086 15.251,1087 19.712,1088 0.314,1089 30.687,1090 14.869,1091 2.031,1092 6.682,1093 26.948,1094 2.816,1095 16.362,1096 21.213,1097 0.296,1098 33.009,1099 15.964,1100 1.777,1101 6,1102 28.785,1103 2.79,1104 17.448,1105 22.694,1106 0.264,1107 35.322,1108 17.035,1109 15018,1110 22822,1111 24.444,1112 39.625,1113 52.89,1114 51.722,1115 52.103,1116 52.059,1117 52.03,1118 66.702,1119 3.778,1120 145.86,1121 50.043,1122 5.568,1123 5.197,1124 6.18,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.096,1130 5.062,1131 7.461,1132 1.511,1133 1.478,1134 1.489,1135 1.487,1136 1.487,1137 1.906,1138 0.108,1139 4.167,1140 1.43,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.137,1146 4.069,1147 3.95,1148 3.996,1149 3.872,1150 3.795,1151 5.087,1152 3.807,1153 3.843,1154 3.907,1155 3.79,1156 3.677,1157 4.926,1158 3.684,1159 3.818,1160 3.867,1161 3.728,1162 3.585,1163 4.39,1164 3.622,1165 3.555,1166 3.626,1167 3.415,1168 3.393,1169 4.258,1170 3.391,1171 3.368,1172 3.447,1173 3.243,1174 3.162,1175 4.121,1176 3.172,1177 3.249,1178 3.326,1179 3.099,1180 3.052,1181 3.891,1182 3.051,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.689,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.197,1197 0.026,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.074,1210 2.064,1211 1.439,1212 2.07,1213 1.863,1214 1.801,1215 2.031,1216 2.042,1217 1.28,1218 2.041,1219 1.685,1220 1.629,1221 1.888,1222 1.859,1223 1.124,1224 1.873,1225 1.593,1226 1.546,1227 1.783,1228 1.755,1229 1.01,1230 1.765,1231 1.409,1232 1.337,1233 1.595,1234 1.657,1235 0.825,1236 1.639,1237 1.34,1238 1.28,1239 1.555,1240 1.574,1241 0.76,1242 1.549,1243 1.266,1244 1.24,1245 1.513,1246 1.527,1247 0.639,1248 1.516,1249 1.187,1250 1.107,1251 1.48,1252 1.443,1253 0.579,1254 1.469,1255 4.263,1257 5.572,1258 3.434,1259 7.059,1260 5.638,1261 8.627,1262 7.591,1263 10.243,1265 2.235,1271 9.256,1275 0.663,1276 5.098,1280 37.165,1281 89.019,1282 219.297,1283 299.246,1284 317.51,1285 323.02,1286 323.02,1287 37.214,1288 8.075,1289 66.12,1290 66.12,1291 27,1292 12.593,1293 4.392,1294 3.459,1295 44.061,1296 161,1297 138,1298 0.131,1299 225.363,1300 372.03,1301 541.645,1302 43588,1304 21.045,1305 0.679,1306 0.583,1307 21.045,1308 18.075,1309 15.259,1310 0.436,1311 0.319,1312 10.977,1313 14.599,1314 10.731,1315 8.881,1316 15.259,1317 11.148,1318 13.454,1319 0.28,1320 0.18,1321 13.454,1322 8.636,1323 11.732,1324 0.183,1325 0.103,1326 11.732,1327 6.581,1328 9.774,1329 0.119,1330 0.058,1331 9.774,1332 4.744,1333 6.905,1334 0.075,1335 0.034,1336 6.905,1337 3.115,1338 0.215,1339 95.856,1340 0.202,1341 30.026,1342 0.334,1343 166,1344 412.294,1345 180.063,1346 401.405,1347 562.65,1348 380,1349 195,1350 427.931,1351 211.118,1352 435.345,1353 628.03,1354 407,1355 8.072} {0 CHEMBL148087,1 1.348,2 14.938,3 3.657,4 13.372,5 132.075,6 6.697,7 0.583,8 4.244,9 4.388,10 3.74,11 3.779,12 5.216,13 3.737,14 4.813,15 5.015,16 4.071,17 4.206,18 5.679,19 4.131,20 5.1,21 5.352,22 4.047,23 4.361,24 5.853,25 4.228,26 5.19,27 5.462,28 3.974,29 4.381,30 5.905,31 4.214,32 5.211,33 5.508,34 3.904,35 4.334,36 5.867,37 4.149,38 5.131,39 5.427,40 3.868,41 4.254,42 5.802,43 4.083,44 5.04,45 5.328,46 3.823,47 4.175,48 5.75,49 4.012,50 4.966,51 5.258,52 3.637,53 4.074,54 5.653,55 3.896,56 0.098,57 0.997,58 14.964,59 5.716,60 13.483,61 8.394,62 0.252,63 1.63,64 27.433,65 9.665,66 21.467,67 14.525,68 0.282,69 1.963,70 37.182,71 13.358,72 28.704,73 20.161,74 0.308,75 2.05,76 40.911,77 15.154,78 33.863,79 22.71,80 0.305,81 2.002,82 42.17,83 15.605,84 32.797,85 23.493,86 0.316,87 1.868,88 39.059,89 13.837,90 30.112,91 21.073,92 0.31,93 1.739,94 35.604,95 12.522,96 29.964,97 19.068,98 0.313,99 1.592,100 33.245,101 11.213,102 28.15,103 17.273,104 2,105 49,106 0.214,107 0.555,108 0.751,109 0.822,110 0.842,111 0.842,112 3.502,113 0.979,114 -5.35,115 -5.23,116 -4.89,119 40.6,120 1,121 4,125 3,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 7,178 13,182 3,186 5,189 10,193 6,195 1,197 3,199 11,203 6,206 1,208 1,211 9,215 6,218 1,220 1,222 7,226 5,229 2,231 1,233 4,236 1,237 5,242 3,244 4,249 1,254 1,256 6,259 1804,260 22.292,261 22.292,262 22.292,263 22.292,264 22.292,265 19.877,266 28.735,267 13.391,268 22.696,269 17.813,270 17.813,271 17.813,272 17.813,273 17.813,274 14.254,275 40.737,276 6.397,277 18.473,278 4.652,279 2.504,280 1.27,281 0.828,282 0.699,283 0.699,284 4.214,289 1,290 1069,291 3.317,294 172.509,295 329.938,298 147.121,302 2.324,303 12.81,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 478,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.132,327 6.095,328 3.815,329 2.84,330 3.731,331 0.657,332 8.884,333 2.773,334 4.059,335 2.892,336 6.051,337 3.689,338 2.753,339 3.54,341 8.695,342 2.578,343 3.648,344 2.855,345 5.477,346 3.552,347 2.598,348 2.813,350 7.326,351 2.481,352 3.433,353 2.393,354 5.15,355 3.149,356 2.197,357 2.67,359 6.375,360 2.088,361 3.272,362 2.18,363 5.109,364 2.997,365 2.022,366 2.591,368 5.994,369 1.962,370 3.24,371 1.797,372 4.514,373 2.732,374 1.776,375 2.361,377 4.655,378 1.697,379 3.004,380 1.787,381 4.189,382 2.698,383 1.71,384 2.101,386 3.929,387 1.683,388 2.742,389 1.37,390 4.133,391 2.314,392 1.329,393 1.847,395 3.48,396 1.308,397 2.5,398 1.186,399 3.492,400 2.106,401 1.138,402 1.5,404 2.598,405 1.099,406 2.432,407 1.091,408 3.425,409 2.004,410 1.026,411 1.41,413 2.416,414 1.002,415 2.342,416 1.077,417 3.414,418 2,419 1,420 1.305,422 2.275,423 1,424 2.235,425 1,426 3.313,427 1.984,428 1,429 1.173,431 2.136,432 0.983,433 2.118,434 0.927,435 3.247,436 1.857,437 0.891,438 1,440 2.091,441 0.859,442 2,443 0.667,444 3.173,445 1.559,446 0.618,447 0.927,449 1.458,450 0.574,451 15.4,452 0.481,453 0.585,454 0.018,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 29.998,462 0.937,463 34.4,464 0.538,465 26.042,466 0.814,467 7.381,468 0.231,469 8.378,470 0.262,471 0.032,473 0.279,479 0.937,480 1.366,481 0.89,482 1.12,483 0.776,484 1.02,485 1.188,486 1.125,487 1.026,488 1.028,489 0.818,490 1.014,491 1.085,492 1.037,493 1.066,494 1.045,495 0.83,496 1.052,497 0.849,498 1.033,499 1.054,500 1.105,501 0.82,502 1.101,503 0.671,504 0.966,505 0.907,506 1.008,507 0.756,508 0.986,509 0.838,510 0.933,511 0.913,512 0.945,513 0.773,514 0.938,515 0.841,516 1.001,517 0.949,518 1.009,519 0.819,520 0.993,521 1.131,522 0.936,523 1.089,524 0.998,525 1.182,526 1.033,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.854,533 0.445,534 0.273,535 0.208,536 0.148,537 18108,538 37942,539 2.194,540 50,541 2,542 16,543 1,544 2,545 2,547 5,548 4,550 1.737,551 2.133,552 3.842,553 0.146,559 86.279,560 1.348,561 3.496,562 4.73,563 5.172,564 5.301,565 5.301,566 3.281,567 4.375,568 4.973,569 4.048,570 2007.58,571 8.651,572 31750.6,574 1,577 384,578 1.043,579 4.964,580 0.139,581 0.004,582 0.068,583 0.029,584 0.029,585 0.022,586 0.012,587 0.008,588 0.007,589 0.006,590 0.324,591 0.17,592 0.88,593 0.313,594 173.336,595 0.115,596 -0.128,597 0.081,598 -0.036,599 0.174,600 0.01,601 -0.021,602 0.027,603 -0.037,604 -0.009,605 0.078,606 -0.022,607 -0.129,608 -0.013,609 -0.089,610 -0.038,611 -0.008,612 -0.056,613 -0.021,614 -0.069,615 -0.086,616 -0.097,617 0.006,618 -0.098,619 0.088,620 -0.062,621 0.061,622 -0.01,623 0.073,624 0.017,625 0.045,626 -0.009,627 0.067,628 0.035,629 0.058,630 0.05,631 0.093,632 -0.055,633 0.033,634 -0.03,635 0.058,636 -0.009,637 -0.095,638 0.018,639 -0.098,640 -0.04,641 -0.198,642 -0.064,643 0.919,644 1.329,645 0.813,646 38.758,647 0.986,648 1.131,649 4.115,650 16.936,651 0.655,652 3.611,653 3.912,654 4.19,655 4.431,656 4.595,657 4.654,658 4.796,659 4.905,660 4.956,661 4.997,662 8.772,663 0.609,664 428.64,665 3.611,666 5.142,667 5.989,668 6.851,669 7.711,670 8.578,671 9.444,672 10.313,673 11.183,674 12.055,675 9.4,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 16,746 10,764 32,765 4,766 2,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,823 1,827 32,833 7,834 1,837 2,838 1,844 1,854 15,855 11.383,856 7.028,857 4.108,858 3.531,859 1.432,860 1.007,861 6.562,862 11.699,863 3.861,864 4.431,865 5.022,866 5.598,867 6.028,868 6.35,869 6.794,870 7.2,871 7.396,872 7.611,873 0.9,874 46,875 11.831,877 4.971,878 7.391,879 23.64,881 19.993,883 1.891,884 60.5,888 353.133,889 141.22,890 73.146,895 141.22,896 353.133,897 73.146,898 8.825,899 16.455,900 102.868,901 74.105,902 33.51,903 13.915,904 317.82,906 353.133,907 214.366,911 247.193,912 105.94,915 82.337,916 98.702,917 33.326,919 353.133,920 73.146,921 141.22,924 353.133,925 30.3,926 115.943,927 34.796,928 33.326,929 353.133,930 73.146,931 141.22,933 0.574,934 0.337,935 0.182,936 0.092,937 24,938 9,939 0.118,940 8,941 1,942 1.077,943 4.633,944 283.062,945 0.077,946 26,947 148,951 21.234,952 9.888,953 5.081,954 2.491,955 54.461,956 22.89,957 7.843,958 3.424,961 3.868,962 1.951,963 34.796,964 567.499,965 46.5,975 63.098,976 72.387,977 0.225,978 0.583,979 0.788,980 0.862,981 0.883,982 0.883,983 5.083,984 1.71,985 5.943,986 4.655,987 4.595,988 5.118,989 1.038,990 6.713,991 4.526,992 6.252,993 1.329,994 7.47,995 3.929,996 4.007,997 4.732,998 0.325,999 7.516,1000 3.899,1001 7.531,1002 1.138,1003 9.098,1004 3.48,1005 6.146,1006 7.278,1007 0.607,1008 10.608,1009 6.011,1010 8.848,1011 1.026,1012 10.788,1013 2.598,1014 6.447,1015 7.858,1016 0.268,1017 12.284,1018 6.275,1019 10.204,1020 1,1021 12.518,1022 2.416,1023 7.977,1024 9.786,1025 0.359,1026 14.853,1027 7.784,1028 11.587,1029 1,1030 14.276,1031 2.275,1032 8.689,1033 10.834,1034 0.188,1035 16.885,1036 8.466,1037 12.992,1038 0.891,1039 16.055,1040 2.136,1041 9.966,1042 12.506,1043 0.214,1044 19.281,1045 9.726,1046 3.118,1047 0.618,1048 17.848,1049 2.091,1050 10.878,1051 13.786,1052 0.125,1053 21.469,1054 10.614,1055 2.84,1056 10.431,1057 19.653,1058 1.458,1059 12.049,1060 15.35,1061 0.129,1062 23.808,1063 11.768,1064 2.753,1065 8.884,1066 21.466,1067 4.518,1068 13.058,1069 16.743,1070 0.082,1071 26.067,1072 12.759,1073 2.598,1074 8.695,1075 23.287,1076 3.731,1077 14.185,1078 18.265,1079 0.079,1080 28.39,1081 13.87,1082 2.197,1083 7.326,1084 25.114,1085 3.54,1086 15.244,1087 19.714,1088 0.054,1089 30.685,1090 14.913,1091 2.022,1092 6.375,1093 26.947,1094 2.813,1095 16.356,1096 21.22,1097 0.048,1098 33.007,1099 16.01,1100 1.776,1101 5.994,1102 28.783,1103 2.67,1104 17.44,1105 22.696,1106 0.035,1107 35.319,1108 17.08,1109 16512,1110 24130,1111 25.137,1112 41.932,1113 54.067,1114 53.314,1115 53.673,1116 53.464,1117 53.484,1118 68.872,1119 2.915,1120 148.831,1121 51.65,1122 5.568,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 7.681,1132 1.502,1133 1.481,1134 1.491,1135 1.485,1136 1.486,1137 1.913,1138 0.081,1139 4.134,1140 1.435,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.956,1148 4.005,1149 3.872,1150 3.875,1151 4.927,1152 3.869,1153 3.847,1154 3.912,1155 3.79,1156 3.702,1157 4.763,1158 3.7,1159 3.819,1160 3.885,1161 3.724,1162 3.585,1163 4.397,1164 3.623,1165 3.552,1166 3.623,1167 3.409,1168 3.395,1169 4.259,1170 3.393,1171 3.409,1172 3.484,1173 3.264,1174 3.254,1175 4.141,1176 3.244,1177 3.273,1178 3.342,1179 3.143,1180 3.112,1181 3.915,1182 3.112,1183 3.111,1184 3.206,1185 2.886,1186 2.941,1187 3.726,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.022,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.087,1210 2.071,1211 1.43,1212 2.08,1213 1.933,1214 1.899,1215 2.045,1216 2.048,1217 1.28,1218 2.047,1219 1.831,1220 1.772,1221 2.012,1222 1.98,1223 1.182,1224 1.995,1225 1.663,1226 1.608,1227 1.873,1228 1.83,1229 1.113,1230 1.848,1231 1.445,1232 1.371,1233 1.715,1234 1.68,1235 0.837,1236 1.68,1237 1.398,1238 1.328,1239 1.585,1240 1.631,1241 0.825,1242 1.631,1243 1.307,1244 1.24,1245 1.513,1246 1.505,1247 0.749,1248 1.518,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.581,1254 1.429,1255 4.29,1257 5.595,1258 3.045,1259 7.086,1260 5.283,1261 8.66,1262 7.286,1263 10.278,1265 2.275,1271 8.269,1272 3.829,1275 1.031,1276 2.628,1280 38.977,1281 86.279,1282 223.726,1283 302.716,1284 330.98,1285 339.245,1286 339.245,1287 39.954,1288 8.168,1289 61.77,1290 61.77,1291 28,1292 12.597,1293 4.459,1294 3.524,1295 46.18,1296 173,1297 154,1298 0.128,1299 237.624,1300 395.2,1301 571.561,1302 49798,1304 21.753,1305 0.68,1306 0.586,1307 21.753,1308 18.744,1309 15.759,1310 0.438,1311 0.326,1312 11.62,1313 15.278,1314 11.359,1315 9.415,1316 15.759,1317 11.745,1318 13.808,1319 0.282,1320 0.182,1321 13.808,1322 8.931,1323 11.982,1324 0.184,1325 0.104,1326 11.982,1327 6.761,1328 9.941,1329 0.12,1330 0.059,1331 9.941,1332 4.876,1333 7.584,1334 0.077,1335 0.035,1336 7.584,1337 3.395,1338 0.211,1339 97.605,1340 0.199,1341 30.882,1342 0.324,1343 170,1344 377.246,1345 181.157,1346 377.499,1347 536.69,1348 358,1349 199,1350 414.054,1351 211.462,1352 422.518,1353 612.02,1354 399,1355 7.921} {0 CHEMBL148095,1 1.347,2 15,3 3.839,4 14.737,5 135.238,6 6.779,7 0.553,8 4.273,9 4.413,10 3.786,11 3.824,12 5.22,13 3.784,14 4.86,15 5.055,16 4.141,17 4.278,18 5.708,19 4.204,20 5.156,21 5.407,22 4.107,23 4.422,24 5.889,25 4.288,26 5.222,27 5.492,28 4.017,29 4.423,30 5.923,31 4.257,32 5.227,33 5.523,34 3.925,35 4.354,36 5.858,37 4.17,38 5.127,39 5.416,40 3.908,41 4.276,42 5.785,43 4.113,44 5.06,45 5.34,46 3.857,47 4.209,48 5.763,49 4.047,50 4.998,51 5.295,52 3.664,53 4.098,54 5.668,55 3.92,56 0.098,57 1.022,58 15.106,59 5.897,60 12.641,61 8.548,62 0.252,63 1.718,64 28.339,65 10.304,66 20.204,67 15.236,68 0.284,69 2.085,70 39.16,71 14.365,72 27.411,73 21.451,74 0.318,75 2.14,76 42.217,77 15.772,78 32.942,79 23.474,80 0.308,81 2.054,82 42.946,83 16.048,84 30.821,85 24.012,86 0.311,87 1.901,88 38.866,89 13.975,90 26.698,91 21.081,92 0.302,93 1.806,94 36.204,95 12.98,96 28.431,97 19.57,98 0.329,99 1.654,100 34.513,101 11.667,102 28.356,103 17.869,105 53,106 0.213,107 0.551,108 0.742,109 0.826,110 0.859,111 0.864,112 3.531,113 0.975,114 -5.55,115 -5.42,116 -5.06,119 41.5,121 6,125 3,127 2,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 5,176 7,178 16,182 3,186 6,189 12,193 6,195 1,197 3,199 12,203 6,206 1,208 1,211 10,215 6,218 1,220 1,222 7,226 6,229 2,231 1,233 4,236 1,237 5,242 3,244 4,249 1,254 1,256 7,259 1919,260 23.239,261 23.239,262 23.239,263 23.239,264 23.239,265 20.825,266 30.805,267 13.807,268 23.636,269 18.817,270 18.817,271 18.817,272 18.817,273 18.817,274 15.197,275 41.951,276 6.587,277 19.472,278 4.675,279 2.536,280 1.322,281 0.792,282 0.585,283 0.554,284 4.257,289 1,290 1136,291 3,294 253.17,295 301.638,298 298.027,302 2.303,303 13.094,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 69,315 495,316 4.568,317 3.351,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.334,326 3.196,327 6.535,328 4.064,329 3.075,330 3.887,331 0.657,332 10.309,333 3.042,334 4.129,335 2.902,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.578,343 3.667,344 2.871,345 5.529,346 3.595,347 2.643,348 2.813,350 7.483,351 2.517,352 3.435,353 2.512,354 5.25,355 3.199,356 2.255,357 2.683,359 6.636,360 2.125,361 3.316,362 2.187,363 5.127,364 3.009,365 2.03,366 2.591,368 6.001,369 1.981,370 3.246,371 2.064,372 4.924,373 2.829,374 1.847,375 2.402,377 5.481,378 1.81,379 3.03,380 1.795,381 4.514,382 2.729,383 1.775,384 2.125,386 4.655,387 1.689,388 2.915,389 1.658,390 4.16,391 2.546,392 1.546,393 2.049,395 3.724,396 1.546,397 2.742,398 1.37,399 4.133,400 2.314,401 1.328,402 1.846,404 3.481,405 1.308,406 2.478,407 1.214,408 3.585,409 2.158,410 1.168,411 1.473,413 2.762,414 1.155,415 2.421,416 1.146,417 3.472,418 2.081,419 1.112,420 1.393,422 2.526,423 1.075,424 2.252,425 1.077,426 3.414,427 1.984,428 1,429 1.193,431 2.275,432 0.983,433 2.118,434 0.934,435 3.318,436 1.861,437 0.896,438 1,440 2.098,441 0.862,442 2,443 0.745,444 3.191,445 1.641,446 0.658,447 0.927,449 1.55,450 0.646,451 15.9,452 0.482,453 0.598,454 0.018,455 40,456 1.212,457 18,458 0.545,459 22,460 0.667,461 31.627,462 0.958,463 35.1,464 0.54,465 26.103,466 0.791,467 7.367,468 0.223,469 8.965,470 0.272,473 0.302,479 0.924,480 1.32,481 0.867,482 1.082,483 0.702,484 0.988,485 1.159,486 1.106,487 1.023,488 1.025,489 0.817,490 1.013,491 1.038,492 1.048,493 1.056,494 1.057,495 0.816,496 1.058,497 0.873,498 1.024,499 1.066,500 1.101,501 0.838,502 1.102,503 0.672,504 0.955,505 0.905,506 0.999,507 0.725,508 0.979,509 0.855,510 0.933,511 0.92,512 0.946,513 0.726,514 0.94,515 0.836,516 1.06,517 0.986,518 1.068,519 0.825,520 1.047,521 1.148,522 0.89,523 1.061,524 0.948,525 1.184,526 0.988,527 5,528 0.098,529 3.556,530 1.549,531 1.063,532 0.841,533 0.495,534 0.26,535 0.215,536 0.153,537 20591,538 41711,539 2.261,540 49.2,541 4,542 15,543 1,544 2,545 2,547 4,548 4,550 1.744,551 2.225,552 3.838,553 0.132,559 87.562,560 1.347,561 3.487,562 4.701,563 5.23,564 5.438,565 5.469,566 3.268,567 4.62,568 5.02,569 4.055,570 2140.84,571 8.74,572 34486.1,577 391.454,578 0.885,579 5.017,580 0.132,581 0.004,582 0.067,583 0.032,584 0.025,585 0.022,586 0.013,587 0.007,588 0.007,589 0.006,590 0.314,591 0.17,592 0.75,594 180.177,595 0.112,596 -0.1,597 0.088,598 -0.015,599 0.231,600 0.026,601 -0.028,602 0.038,603 -0.047,604 -0.009,605 0.064,606 -0.026,607 -0.108,608 -0.037,609 -0.083,610 -0.052,611 -0.002,612 -0.063,613 -0.032,614 -0.061,615 -0.095,616 -0.096,617 -0.006,618 -0.101,619 0.091,620 -0.054,621 0.069,622 -0.001,623 0.092,624 0.026,625 0.038,626 0.001,627 0.063,628 0.038,629 0.086,630 0.051,631 0.094,632 -0.108,633 -0.003,634 -0.086,635 0.054,636 -0.06,637 -0.091,638 0.055,639 -0.063,640 0.006,641 -0.181,642 -0.02,643 0.775,644 1.468,645 0.879,646 38.832,647 0.986,648 1.129,649 4.317,650 18.633,651 0.66,652 3.664,653 3.989,654 4.304,655 4.585,656 4.754,657 4.844,658 4.997,659 5.13,660 5.159,661 5.231,662 8.864,663 0.615,664 440.65,665 3.664,666 5.209,667 6.075,668 6.954,669 7.831,670 8.713,671 9.595,672 10.479,673 11.363,674 12.249,675 9.2,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 65,716 21,717 2,718 38,720 70,721 27,722 16,723 5,724 7,730 6,731 8,740 6,743 8,745 16,746 11,764 32,765 4,766 2,767 6,773 6,777 0.667,788 1,792 3,793 3,796 2,814 1,815 1,819 4,827 33,833 9,834 1,837 2,838 1,844 1,854 14.833,855 11.3,856 7.139,857 4.268,858 3.754,859 1.432,860 1.035,861 5.916,862 12.447,863 3.902,864 4.489,865 5.098,866 5.686,867 6.115,868 6.452,869 6.884,870 7.287,871 7.447,872 7.664,873 0.9,874 49,875 12.23,877 5.262,878 7.354,879 24.633,881 21.487,883 1.854,884 61.167,888 353.133,889 131.173,890 73.146,895 131.173,896 353.133,897 73.146,899 21.524,900 93.392,901 74.105,902 36.695,903 13.915,904 317.82,906 353.133,907 204.319,911 258.964,912 94.169,915 78.581,916 92.412,917 33.326,919 353.133,920 73.146,921 131.173,924 353.133,925 38.555,926 97.642,927 34.796,928 33.326,929 353.133,930 73.146,931 131.173,933 0.579,934 0.345,935 0.192,936 0.097,937 28,938 10,939 0.1,940 7,941 2,942 1.138,943 4.762,944 306.207,945 0.138,946 29,947 158.465,951 20.946,952 9.321,953 4.445,954 2.503,955 54.461,956 21.131,957 7.858,958 3.434,961 5.578,962 1.957,963 34.796,964 557.452,965 48.5,975 64.098,976 73.387,977 0.224,978 0.579,979 0.781,980 0.868,981 0.903,982 0.908,983 5.143,984 1.775,985 6.038,986 5.481,987 4.673,988 5.176,989 1.038,990 6.838,991 4.609,992 6.317,993 1.546,994 7.581,995 4.655,996 4.111,997 4.844,998 0.325,999 7.695,1000 4.014,1001 7.607,1002 1.328,1003 9.225,1004 3.724,1005 6.252,1006 7.351,1007 0.607,1008 10.806,1009 6.13,1010 8.936,1011 1.168,1012 10.931,1013 3.481,1014 6.594,1015 7.98,1016 0.268,1017 12.543,1018 6.446,1019 10.305,1020 1.112,1021 12.679,1022 2.762,1023 8.121,1024 9.876,1025 0.359,1026 15.133,1027 7.953,1028 11.7,1029 1,1030 14.455,1031 2.526,1032 8.878,1033 10.954,1034 0.188,1035 17.22,1036 8.692,1037 13.117,1038 0.896,1039 16.251,1040 2.275,1041 10.158,1042 12.606,1043 0.214,1044 19.639,1045 9.956,1046 3.118,1047 0.658,1048 18.063,1049 2.098,1050 11.108,1051 13.898,1052 0.125,1053 21.868,1054 10.894,1055 3.075,1056 10.431,1057 19.886,1058 1.55,1059 12.287,1060 15.449,1061 0.129,1062 24.228,1063 12.059,1064 2.753,1065 10.309,1066 21.719,1067 4.518,1068 13.328,1069 16.844,1070 0.082,1071 26.516,1072 13.089,1073 2.643,1074 8.884,1075 23.559,1076 3.887,1077 14.467,1078 18.355,1079 0.079,1080 28.857,1081 14.217,1082 2.255,1083 7.483,1084 25.404,1085 3.731,1086 15.55,1087 19.799,1088 0.054,1089 31.17,1090 15.289,1091 2.03,1092 6.636,1093 27.255,1094 2.813,1095 16.675,1096 21.297,1097 0.048,1098 33.506,1099 16.404,1100 1.847,1101 6.001,1102 29.109,1103 2.683,1104 17.778,1105 22.767,1106 0.035,1107 35.831,1108 17.496,1109 18248,1110 26196,1111 26.929,1112 42.932,1113 57.514,1114 57.012,1115 57.155,1116 57.085,1117 57.1,1118 72.682,1119 2.915,1120 162.848,1121 55.27,1122 5.568,1123 5.351,1124 6.247,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.166,1130 5.062,1132 1.514,1133 1.5,1134 1.504,1135 1.502,1136 1.503,1137 1.913,1138 0.077,1139 4.285,1140 1.454,1141 4.156,1142 4.194,1143 4.115,1144 4.064,1145 5.135,1146 4.072,1147 4.029,1148 4.067,1149 3.958,1150 3.962,1151 4.927,1152 3.957,1153 3.856,1154 3.922,1155 3.79,1156 3.703,1157 4.759,1158 3.702,1159 3.822,1160 3.894,1161 3.729,1162 3.585,1163 4.387,1164 3.622,1165 3.546,1166 3.616,1167 3.406,1168 3.395,1169 4.258,1170 3.392,1171 3.431,1172 3.494,1173 3.291,1174 3.312,1175 4.121,1176 3.298,1177 3.285,1178 3.353,1179 3.17,1180 3.123,1181 3.927,1182 3.127,1183 3.111,1184 3.206,1185 2.953,1186 2.941,1187 3.778,1188 2.91,1189 0.12,1190 0.088,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.351,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.072,1210 2.062,1211 1.431,1212 2.069,1213 1.907,1214 1.878,1215 2.033,1216 2.04,1217 1.28,1218 2.04,1219 1.84,1220 1.78,1221 2.001,1222 1.959,1223 1.174,1224 1.975,1225 1.67,1226 1.614,1227 1.881,1228 1.84,1229 1.161,1230 1.858,1231 1.553,1232 1.49,1233 1.798,1234 1.735,1235 1.109,1236 1.757,1237 1.406,1238 1.335,1239 1.588,1240 1.659,1241 0.825,1242 1.641,1243 1.322,1244 1.256,1245 1.513,1246 1.521,1247 0.761,1248 1.528,1249 1.153,1250 1.064,1251 1.489,1252 1.442,1253 0.584,1254 1.429,1255 4.344,1257 5.666,1258 3.434,1259 7.175,1260 5.733,1261 8.769,1262 7.774,1263 10.409,1271 10.874,1272 3.968,1275 1.213,1276 2.651,1280 39.977,1281 87.562,1282 226.635,1283 305.538,1284 339.944,1285 353.454,1286 355.454,1287 39.066,1288 8.693,1289 61.77,1290 61.77,1291 33,1292 12.781,1293 4.459,1294 3.524,1295 43.704,1296 181,1297 148,1298 0.115,1299 239.823,1300 400.14,1301 576.927,1302 96870,1304 22.037,1305 0.668,1306 0.578,1307 22.037,1308 19.081,1309 16.332,1310 0.43,1311 0.325,1312 12.221,1313 15.855,1314 12.006,1315 9.874,1316 16.332,1317 12.346,1318 14.478,1319 0.273,1320 0.181,1321 14.478,1322 9.589,1323 12.94,1324 0.177,1325 0.103,1326 12.94,1327 7.546,1328 11.098,1329 0.114,1330 0.059,1331 11.098,1332 5.699,1333 8.569,1334 0.075,1335 0.035,1336 8.569,1337 3.991,1338 0.19,1339 101.039,1340 0.193,1341 31.605,1342 0.292,1343 182,1344 391.246,1345 193.157,1346 391.192,1347 560.84,1348 372,1349 217,1350 436.054,1351 229.628,1352 444.366,1353 649.45,1354 421,1355 7.602} {0 CHEMBL148110,1 1.462,2 16.429,3 2.923,4 8.545,5 140.194,6 6.936,7 0.538,8 4.31,9 4.453,10 3.825,11 3.823,12 5.331,13 3.793,14 4.87,15 5.067,16 4.161,17 4.241,18 5.81,19 4.179,20 5.162,21 5.409,22 4.149,23 4.385,24 6.036,25 4.271,26 5.239,27 5.505,28 4.071,29 4.393,30 6.068,31 4.252,32 5.234,33 5.514,34 4.05,35 4.348,36 6.038,37 4.201,38 5.191,39 5.468,40 4.014,41 4.281,42 6.04,43 4.149,44 5.126,45 5.406,46 3.938,47 4.233,48 5.942,49 4.09,50 5.041,51 5.318,52 3.804,53 4.199,54 5.769,55 4.036,56 0.084,57 1.071,58 15.379,59 5.834,60 13.124,61 8.491,62 0.291,63 1.719,64 28.45,65 9.849,66 27.356,67 14.747,68 0.427,69 2.048,70 39.82,71 13.407,72 46.312,73 20.217,74 0.425,75 2.089,76 43.657,77 14.9,78 54.395,79 22.327,80 0.364,81 2.017,82 43.752,83 15.208,84 49.266,85 22.825,86 0.463,87 1.946,88 42.365,89 13.338,90 55.644,91 20.378,92 0.528,93 1.844,94 39.641,95 12.764,96 53.452,97 19.477,98 0.325,99 1.726,100 35.645,101 12.348,102 32.806,103 18.79,104 5,105 53,106 0.229,107 0.578,108 0.76,109 0.825,110 0.85,111 0.85,112 3.588,113 0.958,114 -4.64,115 -4.56,116 -4.29,119 39.7,120 1,121 4,125 3,127 2,140 8,141 2,142 2,149 1,150 1,156 1,158 2,164 1,169 9,171 2,172 5,174 1,176 8,178 10,182 4,184 1,185 1,186 6,189 7,193 8,195 1,197 2,199 7,203 10,206 1,208 4,211 6,215 6,218 1,220 3,222 5,225 1,226 3,229 3,231 2,233 7,236 1,237 3,242 3,244 7,249 3,254 2,256 5,259 2397,260 24.154,261 24.154,262 24.154,263 24.154,264 24.154,265 21.585,266 31.529,267 14.491,268 24.59,269 19.287,270 19.287,271 19.287,272 19.287,273 19.287,274 15.45,275 43.165,276 6.936,277 19.987,278 4.625,279 2.397,280 1.236,281 0.82,282 0.658,283 0.658,284 4.297,289 1,290 1275,291 3.873,294 196.881,295 378.719,298 169.077,302 2.62,303 21.616,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 74.5,315 575,316 4.568,317 3.726,318 6.566,319 4.099,320 3.118,321 4.518,322 1.956,323 10.431,324 3.062,325 4.129,326 3.196,327 6.095,328 3.806,329 2.83,330 3.731,331 0.8,332 8.884,333 2.758,334 4.037,335 2.91,336 5.965,337 3.69,338 2.753,339 3.489,340 0.465,341 8.402,342 2.578,343 3.774,344 2.875,345 5.485,346 3.572,347 2.617,348 3.012,349 0.132,350 7.366,351 2.5,352 3.601,353 2.586,354 5.297,355 3.369,356 2.4,357 2.813,359 6.791,360 2.33,361 3.43,362 2.479,363 5.134,364 3.102,365 2.13,366 2.63,368 6.119,369 2.061,370 3.252,371 2.183,372 5.07,373 2.985,374 2.013,375 2.587,377 5.981,378 1.945,379 3.176,380 1.822,381 4.514,382 2.73,383 1.776,384 2.201,386 4.655,387 1.69,388 2.881,389 1.793,390 4.134,391 2.472,392 1.49,393 2.022,395 3.485,396 1.461,397 2.742,398 1.519,399 3.88,400 2.315,401 1.329,402 1.847,404 3.288,405 1.309,406 2.5,407 1.365,408 3.514,409 2.116,410 1.142,411 1.5,413 2.645,414 1.107,415 2.434,416 1.158,417 3.45,418 2.021,419 1.03,420 1.408,422 2.441,423 1.012,424 2.349,425 1.077,426 3.414,427 2,428 1,429 1.269,431 2.275,432 1,433 2.233,434 1,435 3.314,436 1.984,437 1,438 1.157,440 2.136,441 0.983,442 2.118,443 0.933,444 3.247,445 1.857,446 0.891,447 1,449 2.09,450 0.858,451 16.633,452 0.475,453 0.691,454 0.02,455 43.25,456 1.236,457 20,458 0.571,459 23.25,460 0.664,461 32.777,462 0.936,463 37.967,464 0.558,465 31.182,466 0.891,467 8.308,468 0.237,469 8.845,470 0.253,471 0.05,473 0.289,479 0.837,480 1.405,481 0.856,482 1.13,483 0.584,484 1.012,485 0.905,486 1.188,487 0.982,488 1.068,489 0.587,490 1.032,491 1.037,492 1.02,493 1.062,494 1.036,495 0.892,496 1.047,497 1.064,498 0.976,499 1.056,500 1.039,501 1.124,502 1.05,503 0.862,504 1.01,505 0.897,506 1.026,507 1.038,508 0.982,509 1.267,510 0.98,511 1.011,512 0.953,513 1.451,514 0.958,515 1.036,516 0.883,517 1.006,518 0.919,519 1.153,520 0.957,521 0.777,522 0.953,523 1.065,524 1.057,525 0.589,526 1.084,527 6,528 0.14,529 3.556,530 1.444,531 1.557,532 0.931,533 0.648,534 0.367,535 0.176,536 0.201,537 23371,538 54694,539 2.158,540 48.5,541 2,542 16,543 1,544 2,545 3,547 5,548 4,550 1.759,551 2.079,552 3.971,553 0.792,559 99.449,560 1.462,561 3.69,562 4.852,563 5.267,564 5.429,565 5.429,566 3.397,567 4.786,568 5.102,569 4.19,570 2492.82,571 8.909,572 42949.4,577 413.947,578 1.15,579 5.086,580 0.154,581 0.005,582 0.067,583 0.029,584 0.035,585 0.021,586 0.015,587 0.009,588 0.005,589 0.006,590 0.347,591 0.17,592 0.75,593 0.383,594 195.991,595 0.027,596 -0.145,597 0.067,598 -0.04,599 0.036,600 0.008,601 0.043,602 -0.026,603 -0.026,604 -0.041,605 0.069,606 -0.041,607 -0.051,608 0.008,609 -0.085,610 -0.038,611 0.026,612 -0.06,613 -0.084,614 -0.015,615 -0.074,616 -0.042,617 -0.041,618 -0.054,619 0.047,620 -0.099,621 0.084,622 -0.023,623 0.045,624 0.025,625 -0.092,626 -0.04,627 -0.002,628 0.009,629 -0.088,630 0.012,631 0.021,632 0.066,633 -0.006,634 0.045,635 -0.069,636 0.017,637 -0.053,638 0.013,639 -0.102,640 -0.059,641 -0.073,642 -0.08,643 1.648,644 5.491,645 0.743,646 45.899,647 0.993,648 1.134,649 3.409,650 11.622,651 0.653,652 3.689,653 3.989,654 4.248,655 4.477,656 4.644,657 4.691,658 4.828,659 4.949,660 4.97,661 5.011,662 9.627,663 0.613,664 471.67,665 3.689,666 5.22,667 6.061,668 6.921,669 7.775,670 8.639,671 9.499,672 10.366,673 11.231,674 12.1,675 10.3,677 1,678 1,682 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 22,717 2,718 39,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 17,746 10,750 1,755 1,759 1,764 33,765 6,766 3,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,814 1,815 1,819 4,823 1,827 35,833 7,834 2,837 2,838 1,844 1,847 1.5,850 1,854 16.833,855 12.05,856 7.694,857 4.275,858 3.475,859 1.419,860 0.999,861 7.576,862 11.772,863 3.942,864 4.5,865 5.061,866 5.622,867 6.05,868 6.364,869 6.804,870 7.223,871 7.39,872 7.6,873 0.909,874 50,875 12.956,877 5.474,878 7.548,879 25.425,881 21.265,883 2.048,884 71.667,888 353.133,889 145.496,890 91.156,892 25.145,895 145.496,896 378.278,897 91.156,898 8.825,899 34.466,900 102.868,901 103.955,902 33.081,903 13.915,904 317.82,906 353.133,907 236.652,908 25.145,911 247.193,912 131.085,915 100.348,916 102.978,917 33.326,919 353.133,920 116.301,921 145.496,924 353.133,925 34.576,926 115.943,927 52.807,928 58.471,929 353.133,930 116.301,931 145.496,933 0.576,934 0.334,935 0.176,936 0.091,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.887,944 314.956,945 0.077,946 26,947 167.525,951 23.741,952 11.169,953 5.991,954 2.427,955 97.617,956 21.619,957 7.824,958 3.402,961 3.264,962 1.931,963 52.807,964 614.93,965 50.5,970 12.491,974 0.018,975 67.527,976 77.095,977 0.24,978 0.606,979 0.797,980 0.865,981 0.892,982 0.892,983 5.166,984 1.776,985 6.019,986 5.981,987 4.673,988 5.187,989 2.183,990 6.781,991 4.605,992 6.337,993 1.49,994 7.544,995 4.655,996 4.111,997 4.832,998 1.668,999 7.564,1000 4.011,1001 7.616,1002 1.329,1003 9.167,1004 3.485,1005 6.221,1006 7.329,1007 3.052,1008 10.647,1009 6.085,1010 8.932,1011 1.142,1012 10.851,1013 3.288,1014 6.524,1015 7.91,1016 3.128,1017 12.292,1018 6.358,1019 10.283,1020 1.03,1021 12.573,1022 2.645,1023 8.039,1024 9.816,1025 4.211,1026 14.86,1027 7.845,1028 11.661,1029 1,1030 14.323,1031 2.441,1032 8.744,1033 10.856,1034 4.561,1035 16.871,1036 8.524,1037 13.059,1038 1,1039 16.092,1040 2.275,1041 10.014,1042 12.519,1043 5.467,1044 19.267,1045 9.77,1046 3.118,1047 0.891,1048 17.876,1049 2.136,1050 10.917,1051 13.793,1052 5.96,1053 21.445,1054 10.651,1055 2.83,1056 10.431,1057 19.672,1058 2.09,1059 12.082,1060 15.353,1061 6.763,1062 23.784,1063 11.796,1064 2.753,1065 8.884,1066 21.478,1067 4.518,1068 13.084,1069 16.744,1070 7.334,1071 26.041,1072 12.78,1073 2.617,1074 8.402,1075 23.292,1076 3.731,1077 14.207,1078 18.264,1079 8.08,1080 28.365,1081 13.886,1082 2.4,1083 7.366,1084 25.113,1085 3.489,1086 15.259,1087 19.711,1088 8.694,1089 30.66,1090 14.923,1091 2.13,1092 6.791,1093 26.94,1094 3.012,1095 16.368,1096 21.217,1097 9.407,1098 32.984,1099 16.016,1100 2.013,1101 6.119,1102 28.772,1103 2.813,1104 17.448,1105 22.693,1106 10.046,1107 35.298,1108 17.082,1109 21458,1110 33009,1111 26.929,1112 44.393,1113 58.376,1114 58.539,1115 58.263,1116 57.673,1117 57.718,1118 74.117,1119 6.704,1120 160.229,1121 55.802,1122 5.568,1123 5.726,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 3.423,1129 17.095,1130 5.062,1131 11.441,1132 1.497,1133 1.501,1134 1.494,1135 1.479,1136 1.48,1137 1.9,1138 0.172,1139 4.108,1140 1.431,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 7.428,1146 4.07,1147 3.936,1148 3.987,1149 3.858,1150 3.834,1151 5.135,1152 3.833,1153 3.867,1154 3.921,1155 3.79,1156 3.724,1157 4.927,1158 3.724,1159 3.825,1160 3.898,1161 3.753,1162 3.588,1163 4.77,1164 3.625,1165 3.64,1166 3.7,1167 3.535,1168 3.451,1169 4.412,1170 3.463,1171 3.503,1172 3.566,1173 3.362,1174 3.358,1175 4.26,1176 3.353,1177 3.283,1178 3.35,1179 3.177,1180 3.119,1181 4.15,1182 3.123,1183 3.116,1184 3.206,1185 2.978,1186 2.941,1187 3.935,1188 2.91,1189 0.117,1190 0.096,1191 0.168,1192 0.105,1193 0.08,1194 4.568,1195 0.116,1196 3.726,1197 0.05,1198 6.566,1199 0.267,1200 4.099,1201 0.079,1202 3.118,1203 4.518,1204 1.956,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.072,1210 2.064,1211 1.428,1212 2.07,1213 1.894,1214 1.86,1215 2.032,1216 2.043,1217 1.277,1218 2.041,1219 1.851,1220 1.79,1221 2.011,1222 1.991,1223 1.121,1224 1.999,1225 1.675,1226 1.619,1227 1.884,1228 1.853,1229 1.072,1230 1.867,1231 1.561,1232 1.506,1233 1.794,1234 1.767,1235 0.979,1236 1.776,1237 1.405,1238 1.334,1239 1.586,1240 1.66,1241 0.825,1242 1.64,1243 1.316,1244 1.251,1245 1.513,1246 1.517,1247 0.753,1248 1.523,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.582,1254 1.429,1255 4.369,1257 5.673,1258 3.045,1259 7.159,1260 5.283,1261 8.724,1262 7.286,1263 10.332,1265 1.945,1271 7.524,1272 6.504,1275 0.17,1276 2.546,1280 41.713,1281 99.449,1282 250.918,1283 329.908,1284 358.173,1285 369.193,1286 369.193,1287 53.637,1288 8.298,1289 90.87,1290 90.87,1291 28,1292 12.645,1293 4.524,1294 3.644,1295 52.753,1296 207,1297 187,1298 0.121,1299 255.079,1300 429.65,1301 614.153,1302 60356,1304 24.037,1305 0.687,1306 0.576,1307 24.037,1308 20.152,1309 17.153,1310 0.44,1311 0.319,1312 12.294,1313 16.543,1314 12.04,1315 9.976,1316 17.153,1317 12.449,1318 15.127,1319 0.285,1320 0.177,1321 15.127,1322 9.376,1323 12.929,1324 0.187,1325 0.1,1326 12.929,1327 6.896,1328 10.459,1329 0.12,1330 0.056,1331 10.459,1332 4.885,1333 8.062,1334 0.078,1335 0.033,1336 8.062,1337 3.412,1338 0.2,1339 106.953,1340 0.193,1341 33.391,1342 0.303,1343 184,1344 459.315,1345 199.425,1346 452.418,1347 629.77,1348 426,1349 214,1350 475.943,1351 230.536,1352 482.5,1353 697.68,1354 455,1355 7.824} {0 CHEMBL148194,1 1.428,2 15.029,3 2.974,4 8.842,5 138.257,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.309,13 3.787,14 4.874,15 5.07,16 4.148,17 4.26,18 5.767,19 4.193,20 5.178,21 5.418,22 4.176,23 4.442,24 6.003,25 4.322,26 5.321,27 5.584,28 4.133,29 4.496,30 6.113,31 4.342,32 5.357,33 5.64,34 4.085,35 4.471,36 6.103,37 4.301,38 5.317,39 5.607,40 4.006,41 4.386,42 6.069,43 4.217,44 5.202,45 5.5,46 3.899,47 4.26,48 5.944,49 4.091,50 5.026,51 5.318,52 3.705,53 4.128,54 5.722,55 3.954,56 0.103,57 1.046,58 15.933,59 6.109,60 14.342,61 8.832,62 0.272,63 1.713,64 29.159,65 10.283,66 25.492,67 15.291,68 0.359,69 2.114,70 40.225,71 14.25,72 36.866,73 21.441,74 0.406,75 2.273,76 47.065,77 16.982,78 51.597,79 25.186,80 0.388,81 2.26,82 49.13,83 17.838,84 48.221,85 26.548,86 0.453,87 2.134,88 47.747,89 16.332,90 50.126,91 24.593,92 0.502,93 1.919,94 42.784,95 14.131,96 48.892,97 21.654,98 0.34,99 1.665,100 35.42,101 11.785,102 30.422,103 18.261,104 6,105 53,106 0.224,107 0.573,108 0.764,109 0.829,110 0.848,111 0.848,112 3.56,113 0.968,114 -4.79,115 -4.7,116 -4.41,119 39.7,120 1,121 4,125 4,127 1,129 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 7,178 13,182 3,185 1,186 7,189 10,193 6,195 1,197 5,199 11,203 6,206 1,208 5,211 9,215 6,218 1,220 2,222 7,226 5,229 3,231 1,233 4,236 1,237 5,242 3,244 4,249 1,254 2,256 6,259 2058,260 23.532,261 23.532,262 23.532,263 23.532,264 23.532,265 21.131,266 29.452,267 13.883,268 23.943,269 18.69,270 18.69,271 18.69,272 18.69,273 18.69,274 15.159,275 43.254,276 6.497,277 19.386,278 4.66,279 2.441,280 1.225,281 0.809,282 0.688,283 0.688,284 4.269,289 1,290 1133,291 3.873,294 187.696,295 356.535,298 160.729,302 2.265,303 19.255,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 511,316 4.568,317 3.742,318 7.476,319 4.416,320 3.441,321 4.518,322 0.8,323 13.206,324 3.353,325 4.529,326 3.196,327 6.566,328 4.099,329 3.118,330 3.818,331 0.657,332 10.431,333 3.062,334 4.129,335 2.897,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.578,343 3.651,344 2.865,345 5.508,346 3.572,347 2.623,348 2.827,350 7.378,351 2.492,352 3.464,353 2.393,354 5.211,355 3.159,356 2.201,357 2.811,359 6.43,360 2.106,361 3.421,362 2.181,363 5.125,364 3.021,365 2.037,366 2.603,368 5.996,369 2.003,370 3.25,371 2.043,372 4.893,373 2.945,374 1.969,375 2.575,377 5.289,378 1.91,379 3.109,380 1.795,381 4.514,382 2.73,383 1.775,384 2.135,386 4.655,387 1.69,388 2.742,389 1.37,390 4.134,391 2.314,392 1.329,393 1.847,395 3.481,396 1.308,397 2.635,398 1.349,399 3.649,400 2.216,401 1.224,402 1.684,404 2.782,405 1.212,406 2.5,407 1.17,408 3.513,409 2.087,410 1.123,411 1.5,413 2.533,414 1.08,415 2.426,416 1.077,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.256,425 1.017,426 3.399,427 1.984,428 1,429 1.197,431 2.136,432 0.983,433 2.118,434 1,435 3.307,436 1.861,437 0.896,438 1,440 2.098,441 0.862,442 2,443 0.925,444 3.247,445 1.565,446 0.618,447 0.927,449 1.474,450 0.58,451 16.233,452 0.477,453 0.701,454 0.021,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 34.099,462 1.003,463 37.167,464 0.547,465 28.792,466 0.847,467 7.665,468 0.225,469 8.978,470 0.264,471 0.051,472 0.031,473 0.234,479 0.963,480 1.363,481 0.898,482 1.12,483 0.91,484 1.022,485 1.079,486 1.135,487 0.998,488 1.013,489 0.85,490 0.997,491 0.909,492 1.069,493 1.064,494 1.08,495 0.64,496 1.081,497 0.969,498 1.017,499 1.053,500 1.086,501 1.016,502 1.084,503 0.803,504 1.003,505 0.939,506 1.059,507 0.931,508 1.027,509 1.044,510 0.962,511 0.964,512 0.984,513 1.192,514 0.976,515 0.943,516 0.895,517 0.93,518 0.898,519 1.01,520 0.915,521 0.862,522 0.945,523 1.057,524 1.003,525 0.668,526 1.035,527 6.5,528 0.128,529 4.222,530 1.819,531 1.414,532 0.972,533 0.586,534 0.333,535 0.233,536 0.168,537 20482,538 45596,539 2.156,540 50,541 2,542 17,543 1,544 2,545 3,547 5,548 4,550 1.753,551 2.071,552 3.834,553 0.782,559 97.082,560 1.428,561 3.646,562 4.863,563 5.278,564 5.4,565 5.4,566 3.257,567 4.455,568 5.063,569 4.055,570 2275.06,571 8.834,572 37322,577 413.947,578 1.263,579 5.037,580 0.171,581 0.005,582 0.08,583 0.035,584 0.029,585 0.022,586 0.014,587 0.009,588 0.008,589 0.006,590 0.379,591 0.17,592 0.88,593 0.54,594 186.953,595 0.02,596 -0.108,597 0.064,598 -0.012,599 -0.008,600 0.02,601 -0.056,602 0.031,603 -0.02,604 0.026,605 -0.033,606 0.008,607 -0.045,608 -0.011,609 -0.096,610 -0.061,611 0.06,612 -0.077,613 -0.054,614 -0.048,615 -0.081,616 -0.074,617 -0.028,618 -0.08,619 0.042,620 -0.089,621 0.03,622 -0.053,623 0.033,624 -0.02,625 -0.018,626 -0.057,627 0.025,628 -0.007,629 -0.039,630 0.009,631 0.06,632 0.019,633 0.063,634 0.058,635 -0.017,636 0.057,637 -0.059,638 0.019,639 -0.081,640 -0.041,641 -0.074,642 -0.058,643 1.644,644 4.091,645 0.765,646 39.678,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.989,654 4.277,655 4.511,656 4.673,657 4.727,658 4.875,659 4.977,660 4.997,661 5.024,662 8.903,663 0.606,664 458.67,665 3.664,666 5.209,667 6.066,668 6.944,669 7.815,670 8.697,671 9.573,672 10.457,673 11.336,674 12.221,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 2,740 3,743 5,745 16,746 11,747 1,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,823 1,827 34,832 1,833 8,834 1,837 1,838 1,839 1,844 1,847 1.5,848 1,854 16.417,855 12,856 7.5,857 4.208,858 3.48,859 1.422,860 0.972,861 7,862 11.736,863 3.902,864 4.477,865 5.067,866 5.636,867 6.064,868 6.385,869 6.829,870 7.217,871 7.399,872 7.613,873 0.9,874 52,875 12.59,877 5.343,878 7.498,879 24.893,881 21.116,883 1.998,884 67.917,888 364.904,889 141.22,890 73.146,892 42.683,895 141.22,896 407.588,897 73.146,898 8.825,899 16.455,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 214.366,908 42.683,911 258.964,912 105.94,913 42.683,915 82.337,916 98.702,917 33.326,919 364.904,920 115.829,921 141.22,924 364.904,925 30.3,926 115.943,927 34.796,928 76.009,929 364.904,930 115.829,931 141.22,933 0.578,934 0.347,935 0.185,936 0.093,937 26,938 10,939 0.125,940 9,941 1,942 1.077,943 4.685,944 311.932,945 0.077,946 26,947 160.974,951 23.097,952 10.305,953 5.223,954 2.447,955 97.144,956 22.328,957 7.836,958 3.413,961 3.59,962 1.938,963 77.48,964 621.953,965 48.5,975 67.309,976 77.012,977 0.235,978 0.599,979 0.799,980 0.867,981 0.887,982 0.887,983 5.143,984 1.775,985 6.057,986 5.289,987 4.673,988 5.165,989 1.038,990 6.895,991 4.603,992 6.333,993 1.329,994 7.635,995 4.655,996 4.29,997 4.879,998 0.325,999 8.082,1000 4.192,1001 7.639,1002 1.224,1003 9.33,1004 3.481,1005 6.326,1006 7.342,1007 0.607,1008 11.135,1009 6.193,1010 8.987,1011 1.123,1012 11.103,1013 2.782,1014 6.847,1015 7.983,1016 0.268,1017 13.223,1018 6.687,1019 10.374,1020 1,1021 12.93,1022 2.533,1023 8.325,1024 9.865,1025 0.359,1026 15.879,1027 8.14,1028 11.788,1029 1,1030 14.795,1031 2.275,1032 9.236,1033 10.94,1034 0.188,1035 18.28,1036 9.027,1037 13.224,1038 0.896,1039 16.69,1040 2.136,1041 10.522,1042 12.589,1043 0.214,1044 20.853,1045 10.292,1046 3.441,1047 0.618,1048 18.606,1049 2.098,1050 11.602,1051 13.877,1052 0.125,1053 23.362,1054 11.35,1055 3.118,1056 13.206,1057 20.54,1058 1.474,1059 12.826,1060 15.427,1061 0.129,1062 25.923,1063 12.553,1064 2.753,1065 10.431,1066 22.487,1067 4.518,1068 13.979,1069 16.82,1070 0.082,1071 28.471,1072 13.684,1073 2.623,1074 8.884,1075 24.445,1076 3.818,1077 15.187,1078 18.332,1079 0.079,1080 31.036,1081 14.871,1082 2.201,1083 7.378,1084 26.411,1085 3.731,1086 16.373,1087 19.776,1088 0.054,1089 33.6,1090 16.035,1091 2.037,1092 6.43,1093 28.385,1094 2.827,1095 17.581,1096 21.275,1097 0.048,1098 36.17,1099 17.22,1100 1.969,1101 5.996,1102 30.365,1103 2.811,1104 18.783,1105 22.746,1106 0.035,1107 38.741,1108 18.399,1109 18834,1110 28291,1111 26.118,1112 44.148,1113 57.092,1114 56.825,1115 57.766,1116 56.44,1117 56.54,1118 71.933,1119 2.915,1120 162.776,1121 54.532,1122 5.568,1123 5.742,1124 7.278,1125 5.475,1126 5.441,1127 7.518,1128 1.457,1129 20.585,1130 5.353,1131 11.236,1132 1.502,1133 1.495,1134 1.52,1135 1.485,1136 1.488,1137 1.893,1138 0.077,1139 4.284,1140 1.435,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.456,1146 4.07,1147 3.975,1148 4.019,1149 3.898,1150 3.893,1151 5.135,1152 3.889,1153 3.848,1154 3.913,1155 3.79,1156 3.702,1157 4.927,1158 3.7,1159 3.819,1160 3.886,1161 3.724,1162 3.586,1163 4.76,1164 3.623,1165 3.576,1166 3.642,1167 3.446,1168 3.415,1169 4.395,1170 3.416,1171 3.481,1172 3.543,1173 3.336,1174 3.339,1175 4.259,1176 3.331,1177 3.281,1178 3.348,1179 3.167,1180 3.118,1181 4.137,1182 3.121,1183 3.111,1184 3.206,1185 2.906,1186 2.941,1187 3.915,1188 2.91,1189 0.12,1190 0.098,1191 0.197,1192 0.116,1193 0.091,1194 4.568,1195 0.119,1196 3.742,1197 0.021,1198 7.476,1199 0.348,1200 4.416,1201 0.088,1202 3.441,1203 4.518,1204 0.8,1205 13.206,1206 3.353,1207 1.962,1208 1.937,1209 2.09,1210 2.078,1211 1.433,1212 2.085,1213 1.946,1214 1.915,1215 2.047,1216 2.05,1217 1.284,1218 2.048,1219 1.831,1220 1.772,1221 2.012,1222 1.985,1223 1.215,1224 1.999,1225 1.665,1226 1.61,1227 1.874,1228 1.831,1229 1.114,1230 1.848,1231 1.513,1232 1.455,1233 1.752,1234 1.715,1235 0.885,1236 1.726,1237 1.405,1238 1.334,1239 1.586,1240 1.657,1241 0.825,1242 1.64,1243 1.315,1244 1.25,1245 1.513,1246 1.517,1247 0.755,1248 1.523,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.582,1254 1.429,1255 4.344,1257 5.666,1258 3.045,1259 7.185,1260 5.283,1261 8.788,1262 7.286,1263 10.436,1265 2.102,1270 10.091,1271 7.816,1272 3.743,1275 0.429,1276 2.578,1277 -0.394,1280 41.218,1281 97.082,1282 247.945,1283 330.663,1284 358.928,1285 367.193,1286 367.193,1287 51.9,1288 8.256,1289 82,1290 82,1291 28,1292 12.755,1293 4.459,1294 3.524,1295 50.469,1296 188,1297 150,1298 0.129,1299 251.212,1300 421.29,1301 604.718,1302 54596,1304 23.382,1305 0.688,1306 0.583,1307 23.382,1308 19.821,1309 16.643,1310 0.438,1311 0.323,1312 12.115,1313 16.089,1314 11.831,1315 9.793,1316 16.643,1317 12.26,1318 14.743,1319 0.278,1320 0.182,1321 14.743,1322 9.633,1323 12.976,1324 0.183,1325 0.102,1326 12.976,1327 7.226,1328 10.547,1329 0.117,1330 0.057,1331 10.547,1332 5.139,1333 8.082,1334 0.076,1335 0.034,1336 8.082,1337 3.583,1338 0.212,1339 103.588,1340 0.196,1341 32.267,1342 0.33,1343 182,1344 421.396,1345 194.929,1346 416.897,1347 585.13,1348 394,1349 215,1350 442.85,1351 229.511,1352 452.764,1353 657.5,1354 426,1355 8.377} {0 CHEMBL148233,1 1.336,2 14.133,3 3.697,4 13.669,5 127.457,6 6.354,7 0.455,8 4.228,9 4.38,10 3.674,11 3.721,12 5.169,13 3.672,14 4.812,15 5.039,16 3.994,17 4.14,18 5.623,19 4.059,20 5.051,21 5.295,22 3.974,23 4.319,24 5.783,25 4.178,26 5.23,27 5.518,28 3.917,29 4.369,30 5.892,31 4.183,32 5.234,33 5.551,34 3.835,35 4.288,36 5.848,37 4.09,38 5.081,39 5.381,40 3.794,41 4.186,42 5.743,43 4.014,44 5.024,45 5.314,46 3.753,47 4.145,48 5.706,49 3.969,50 5.028,51 5.34,52 3.559,53 4.066,54 5.659,55 3.861,56 0.102,57 0.985,58 15.722,59 5.64,60 13.567,61 8.675,62 0.292,63 1.568,64 28.568,65 9.179,66 21.419,67 14.582,68 0.255,69 1.852,70 35.681,71 12.787,72 24.587,73 19.666,74 0.316,75 2.003,76 42.417,77 15.374,78 31.497,79 23.545,80 0.343,81 1.902,82 42.647,83 14.756,84 31.978,85 23.009,86 0.323,87 1.71,88 36.821,89 12.309,90 28.253,91 19.401,92 0.294,93 1.635,94 34.657,95 12.086,96 26.974,97 18.734,98 0.32,99 1.549,100 34.884,101 11.532,102 27.863,103 18.244,104 14,105 45,106 0.214,107 0.551,108 0.774,109 0.807,110 0.821,111 0.821,112 3.44,113 1.01,114 -5.09,115 -4.98,116 -4.67,119 37.5,120 2,121 4,124 1,125 4,127 1,134 1,135 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 8,171 2,172 8,176 3,178 9,182 4,186 3,189 5,192 1,193 8,197 1,199 7,203 6,206 1,211 6,215 6,218 1,222 7,226 5,229 2,233 2,236 1,237 6,242 2,244 3,249 1,256 4,259 1538,260 20.43,261 20.43,262 20.43,263 20.43,264 20.43,265 18.353,266 28.987,267 12.188,268 20.88,269 16.297,270 16.297,271 16.297,272 16.297,273 16.297,274 13.292,275 37.14,276 5.803,277 17.019,278 4.664,279 2.564,280 1.169,281 0.965,282 0.879,283 0.879,284 4.137,288 1,289 1,290 921,291 3.808,294 161.119,295 195.279,298 137.123,302 2.209,303 11.069,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 63,315 424,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.097,327 6.095,328 3.77,329 2.826,330 3.731,331 0.8,332 8.884,333 2.67,334 3.851,335 2.885,336 6.03,337 3.689,338 2.752,339 2.964,340 0.68,341 8.593,342 2.577,343 3.627,344 2.778,345 5.316,346 3.345,347 2.417,348 2.813,349 0.172,350 6.866,351 2.26,352 3.445,353 2.599,354 5.127,355 3.166,356 2.176,357 2.747,359 6.001,360 2.136,361 3.357,362 2.185,363 4.674,364 3.009,365 2.031,366 2.592,368 5.197,369 1.98,370 3.246,371 1.796,372 4.514,373 2.731,374 1.777,375 2.373,377 4.655,378 1.691,379 2.745,380 1.722,381 4.141,382 2.437,383 1.471,384 1.85,386 3.679,387 1.419,388 2.494,389 1.362,390 4.104,391 2.277,392 1.3,393 1.492,395 3.459,396 1.267,397 2.401,398 1.159,399 3.459,400 2.061,401 1.098,402 1.369,404 2.487,405 1.055,406 2.223,407 1.077,408 3.414,409 1.984,410 1,411 1.163,413 2.275,414 0.983,415 2.118,416 0.955,417 3.314,418 1.856,419 0.89,420 1,422 2.089,423 0.857,424 2,425 0.867,426 3.173,427 1.558,428 0.618,429 0.927,431 1.452,432 0.573,433 1.965,434 0.647,435 3,436 1.518,437 0.599,438 0.809,440 1.372,441 0.556,442 1.438,443 0.618,444 2.803,445 1.364,446 0.388,447 0.4,449 0.833,450 0.378,451 14.4,452 0.48,453 0.661,454 0.022,455 32.75,456 1.092,457 13,458 0.433,459 19.75,460 0.658,461 30.944,462 1.031,463 33.6,464 0.525,465 21.572,466 0.719,467 6.213,468 0.207,469 8.385,470 0.279,471 0.104,473 0.292,479 0.916,480 1.56,481 0.948,482 1.267,483 0.782,484 1.136,485 1.317,486 1.04,487 1.004,488 0.925,489 0.766,490 0.932,491 1.043,492 1.156,493 1.144,494 1.181,495 0.836,496 1.174,497 0.742,498 1.034,499 0.997,500 1.095,501 0.711,502 1.076,503 0.719,504 0.904,505 0.848,506 0.917,507 0.696,508 0.899,509 0.944,510 0.936,511 0.941,512 0.938,513 0.806,514 0.939,515 0.753,516 1.056,517 0.963,518 1.076,519 0.78,520 1.046,521 0.972,522 0.93,523 1.016,524 0.986,525 1.093,526 1.002,527 5.5,528 0.137,529 3.556,530 1.257,531 1.046,532 0.903,533 0.547,534 0.253,535 0.192,536 0.178,537 13975,538 27613,539 2.107,540 53.1,541 8,542 16,543 1,544 2,545 1,547 2,548 4,550 1.721,551 2,552 3.763,553 -0.382,555 1,559 85.477,560 1.336,561 3.436,562 4.831,563 5.035,564 5.121,565 5.121,566 3.248,567 4.44,568 4.877,569 3.972,570 1727.78,571 8.467,572 25817.4,574 1,577 384,578 1.295,579 4.851,580 0.167,581 0.006,582 0.079,583 0.03,584 0.028,585 0.026,586 0.016,587 0.008,588 0.008,589 0.008,590 0.374,591 0.33,592 1,593 1.15,594 158.819,595 0.161,596 -0.249,597 0.087,598 -0.105,599 0.205,600 -0.031,601 -0.04,602 0.132,603 0.033,604 0.106,605 0.125,606 0.081,607 -0.138,608 -0.073,609 -0.157,610 -0.121,611 -0.061,612 -0.138,613 0.023,614 -0.076,615 -0.038,616 -0.076,617 0.056,618 -0.066,619 0.084,620 -0.013,621 0.109,622 0.055,623 0.122,624 0.08,625 0.001,626 0.017,627 0.036,628 0.037,629 0.045,630 0.039,631 0.106,632 -0.095,633 0.006,634 -0.076,635 0.081,636 -0.05,637 -0.031,638 -0.011,639 -0.044,640 -0.032,641 -0.127,642 -0.038,643 0.61,644 0.923,645 0.667,646 35.636,647 0.984,648 1.138,649 3.856,650 14.872,651 0.636,652 3.526,653 3.829,654 4.078,655 4.304,656 4.466,657 4.575,658 4.691,659 4.779,660 4.836,661 4.883,662 8.296,663 0.586,664 406.64,665 3.526,666 5.056,667 5.894,668 6.756,669 7.612,670 8.479,671 9.345,672 10.216,673 11.086,674 11.961,675 9.4,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 64,716 16,717 1,718 33,720 67,721 24,722 10,723 3,724 3,730 4,731 5,736 2,740 3,743 5,745 12,746 12,750 1,757 1,759 1,764 34,765 4,766 1,767 6,773 6,777 0.75,788 1,792 2,793 2,796 1,810 1,811 1,815 2,819 3,823 3,827 30,833 8,837 1,838 2,844 1,854 15,855 12.167,856 6.611,857 4.03,858 2.915,859 1.374,860 0.978,861 6.907,862 10.718,863 3.75,864 4.311,865 4.86,866 5.433,867 5.85,868 6.271,869 6.728,870 7.157,871 7.352,872 7.571,873 1,874 42,875 11.095,877 4.549,878 7.372,879 22.251,881 18.429,883 1.872,884 56.167,888 388.446,889 122.642,890 58.259,895 122.642,896 388.446,897 58.259,898 26.047,899 18.561,900 46.952,901 74.105,902 36.634,903 13.915,904 353.133,906 388.446,907 180.902,911 317.82,912 70.627,915 78.382,916 59.718,917 42.802,919 388.446,920 58.259,921 122.642,924 388.446,925 32.406,926 98.384,927 16.786,928 33.326,929 388.446,930 58.259,931 122.642,933 0.577,934 0.326,935 0.169,936 0.088,937 21,938 9,939 0.119,940 8,941 1,942 1.1,943 4.353,944 253.627,945 0.1,946 20,947 137.207,951 21.14,952 9.802,953 5.344,954 2.503,955 39.575,956 12.14,957 7.836,958 3.423,961 2.504,962 1.953,963 16.786,964 569.348,965 41.5,972 2.336,974 1.408,975 62.981,976 72.803,977 0.223,978 0.573,979 0.805,980 0.839,981 0.853,982 0.853,983 4.982,984 1.471,985 5.861,986 4.655,987 4.511,988 4.997,989 1.479,990 6.632,991 4.429,992 6.158,993 1.3,994 7.394,995 3.679,996 4.007,997 4.718,998 0.57,999 7.466,1000 3.878,1001 7.445,1002 1.098,1003 9.028,1004 3.459,1005 6.066,1006 7.151,1007 1.046,1008 10.535,1009 5.904,1010 8.769,1011 1,1012 10.722,1013 2.487,1014 6.415,1015 7.809,1016 0.581,1017 12.231,1018 6.207,1019 10.129,1020 0.89,1021 12.455,1022 2.275,1023 7.901,1024 9.668,1025 0.775,1026 14.796,1027 7.668,1028 11.514,1029 0.618,1030 14.217,1031 2.089,1032 8.641,1033 10.775,1034 0.515,1035 16.843,1036 8.37,1037 12.919,1038 0.599,1039 15.998,1040 1.452,1041 9.897,1042 12.411,1043 0.593,1044 19.24,1045 9.604,1046 3.118,1047 0.388,1048 17.794,1049 1.372,1050 10.825,1051 13.733,1052 0.441,1053 21.438,1054 10.505,1055 2.826,1056 10.431,1057 19.602,1058 0.833,1059 11.986,1060 15.281,1061 0.465,1062 23.779,1063 11.647,1064 2.752,1065 8.884,1066 21.419,1067 4.518,1068 13.006,1069 16.702,1070 0.373,1071 26.045,1072 12.647,1073 2.417,1074 8.593,1075 23.244,1076 3.731,1077 14.131,1078 18.219,1079 0.372,1080 28.37,1081 13.755,1082 2.176,1083 6.866,1084 25.074,1085 2.964,1086 15.196,1087 19.684,1088 0.314,1089 30.668,1090 14.805,1091 2.031,1092 6.001,1093 26.91,1094 2.813,1095 16.309,1096 21.19,1097 0.302,1098 32.992,1099 15.903,1100 1.777,1101 5.197,1102 28.75,1103 2.747,1104 17.398,1105 22.676,1106 0.264,1107 35.307,1108 16.98,1109 13264,1110 18945,1111 22.364,1112 40.694,1113 49.485,1114 48.871,1115 49.64,1116 48.908,1117 48.921,1118 61.498,1119 5.138,1120 136.546,1121 46.928,1122 5.568,1123 5.197,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1131 13.313,1132 1.5,1133 1.481,1134 1.504,1135 1.482,1136 1.482,1137 1.864,1138 0.156,1139 4.138,1140 1.422,1141 4.154,1142 4.192,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.909,1148 3.976,1149 3.796,1150 3.754,1151 4.927,1152 3.754,1153 3.828,1154 3.904,1155 3.784,1156 3.612,1157 4.499,1158 3.631,1159 3.716,1160 3.777,1161 3.589,1162 3.575,1163 4.337,1164 3.584,1165 3.544,1166 3.615,1167 3.396,1168 3.391,1169 4.255,1170 3.388,1171 3.363,1172 3.448,1173 3.229,1174 3.165,1175 4.084,1176 3.171,1177 3.25,1178 3.327,1179 3.092,1180 3.061,1181 3.884,1182 3.056,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.685,1188 2.91,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.094,1194 4.568,1195 0.137,1196 3.197,1197 0.028,1198 6.566,1199 0.316,1200 4.099,1201 0.093,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.076,1210 2.065,1211 1.439,1212 2.073,1213 1.867,1214 1.806,1215 2.034,1216 2.043,1217 1.281,1218 2.042,1219 1.733,1220 1.678,1221 1.949,1222 1.893,1223 1.129,1224 1.914,1225 1.655,1226 1.6,1227 1.872,1228 1.816,1229 1.085,1230 1.838,1231 1.42,1232 1.344,1233 1.674,1234 1.678,1235 0.827,1236 1.671,1237 1.372,1238 1.298,1239 1.573,1240 1.617,1241 0.825,1242 1.617,1243 1.262,1244 1.178,1245 1.513,1246 1.479,1247 0.717,1248 1.498,1249 1.153,1250 1.064,1251 1.48,1252 1.442,1253 0.58,1254 1.429,1255 4.205,1257 5.509,1258 3.045,1259 6.991,1260 5.283,1261 8.556,1262 7.286,1263 10.17,1265 6.63,1271 9.553,1275 0.724,1276 5.159,1280 37.504,1281 85.477,1282 219.872,1283 309.206,1284 322.226,1285 327.735,1286 327.735,1287 39.7,1288 7.803,1289 52.98,1290 52.98,1291 22,1292 12.502,1293 4.087,1294 3.248,1295 47.491,1296 152,1297 146,1298 0.151,1299 231.687,1300 389.14,1301 557.076,1302 29962,1304 20.924,1305 0.697,1306 0.617,1307 20.924,1308 18.512,1309 14.597,1310 0.442,1311 0.337,1312 10.97,1313 14.075,1314 10.587,1315 8.857,1316 14.597,1317 11.109,1318 13.039,1319 0.29,1320 0.196,1321 13.039,1322 8.81,1323 10.752,1324 0.185,1325 0.11,1326 10.752,1327 6.356,1328 8.642,1329 0.118,1330 0.061,1331 8.642,1332 4.42,1333 6.582,1334 0.077,1335 0.036,1336 6.582,1337 3.102,1338 0.248,1339 90.885,1340 0.211,1341 29.177,1342 0.386,1343 156,1344 348.558,1345 167.185,1346 347.042,1347 487.71,1348 328,1349 181,1350 371.476,1351 193.961,1352 381.84,1353 548.9,1354 356,1355 8.745} {0 CHEMBL148286,1 1.361,2 13.286,3 2.848,4 8.114,5 117.502,6 6.527,7 0.484,8 4.14,9 4.291,10 3.613,11 3.632,12 5.11,13 3.591,14 4.716,15 4.936,16 3.93,17 4.052,18 5.549,19 3.98,20 4.975,21 5.225,22 3.916,23 4.232,24 5.708,25 4.098,26 5.121,27 5.401,28 3.854,29 4.288,30 5.812,31 4.112,32 5.137,33 5.445,34 3.737,35 4.207,36 5.784,37 4.003,38 5.004,39 5.326,40 3.667,41 4.04,42 5.66,43 3.865,44 4.777,45 5.053,46 3.616,47 3.926,48 5.532,49 3.775,50 4.783,51 5.085,52 3.44,53 3.863,54 5.459,55 3.689,56 0.089,57 0.909,58 13.996,59 4.981,60 13.058,61 7.642,62 0.275,63 1.449,64 25.678,65 8.083,66 19.353,67 12.839,68 0.249,69 1.708,70 32.946,71 11.579,72 23.162,73 17.848,74 0.3,75 1.833,76 38.226,77 13.823,78 29.206,79 21.083,80 0.281,81 1.743,82 38.923,83 13.968,84 31.506,85 21.473,86 0.333,87 1.521,88 34.577,89 10.971,90 29.209,91 17.569,92 0.251,93 1.327,94 27.262,95 9.111,96 24.84,97 14.274,98 0.293,99 1.258,100 27.692,101 8.725,102 23.398,103 13.934,104 8,105 42,106 0.222,107 0.576,108 0.79,109 0.827,110 0.843,111 0.843,112 3.374,113 0.99,114 -4.66,115 -4.58,116 -4.31,119 37.9,121 4,124 1,125 4,127 1,133 1,134 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 6,171 2,172 8,176 3,178 6,182 4,186 3,189 5,192 1,193 6,197 1,199 7,203 6,206 1,211 6,215 6,218 1,222 3,226 5,229 2,233 2,236 1,237 4,242 2,244 3,249 1,256 4,259 1270,260 19.438,261 19.438,262 19.438,263 19.438,264 19.438,265 17.621,266 27.074,267 11.684,268 19.888,269 15.279,270 15.279,271 15.279,272 15.279,273 15.279,274 12.536,275 34.782,276 5.457,277 16.009,278 4.497,279 2.332,280 1.022,281 0.798,282 0.703,283 0.703,284 4.074,288 1,289 1,290 814,291 3.391,294 145.576,295 176.587,298 123.169,302 2.02,303 10.962,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 59,315 372,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.086,327 6.095,328 3.765,329 2.821,330 3.731,331 0.8,332 8.884,333 2.664,334 3.825,335 2.885,336 6.028,337 3.689,338 2.752,339 2.832,340 0.172,341 8.585,342 2.577,343 3.455,344 2.755,345 5.316,346 3.322,347 2.403,348 2.808,350 6.862,351 2.208,352 3.381,353 2.186,354 5.127,355 3.012,356 2.033,357 2.593,359 6.001,360 1.985,361 3.247,362 1.866,363 4.514,364 2.731,365 1.777,366 2.405,368 4.655,369 1.691,370 2.797,371 1.794,372 4.201,373 2.555,374 1.585,375 1.853,377 3.871,378 1.534,379 2.738,380 1.375,381 4.13,382 2.302,383 1.318,384 1.741,386 3.47,387 1.295,388 2.434,389 1.217,390 3.463,391 2.088,392 1.122,393 1.404,395 2.5,396 1.082,397 2.31,398 1.08,399 3.414,400 1.984,401 1,402 1.225,404 2.275,405 0.983,406 2.162,407 1.077,408 3.315,409 1.875,410 0.909,411 1.02,413 2.092,414 0.876,415 2.118,416 0.915,417 3.176,418 1.791,419 0.823,420 1,422 1.501,423 0.795,424 2,425 0.652,426 3,427 1.545,428 0.618,429 0.927,431 1.372,432 0.561,433 1.947,434 0.618,435 2.923,436 1.518,437 0.586,438 0.788,440 1.318,441 0.556,442 1.133,443 0.13,444 2.613,445 0.956,446 -0.013,447 -0.014,449 -0.031,450 -0.013,451 13.4,452 0.479,453 0.516,454 0.018,455 31.75,456 1.134,457 13,458 0.464,459 18.75,460 0.67,461 26.11,462 0.933,463 31,464 0.534,465 21.302,466 0.761,467 6.186,468 0.221,469 7.555,470 0.27,471 0.075,473 0.276,479 0.914,480 1.563,481 0.912,482 1.248,483 0.801,484 1.107,485 1.35,486 1.066,487 1.037,488 0.947,489 0.798,490 0.956,491 1.022,492 1.081,493 1.077,494 1.098,495 0.706,496 1.094,497 0.784,498 0.997,499 1.031,500 1.096,501 0.68,502 1.091,503 0.561,504 1.004,505 0.88,506 1.051,507 0.778,508 1.008,509 0.91,510 0.806,511 0.817,512 0.78,513 0.781,514 0.787,515 0.86,516 1.11,517 0.999,518 1.103,519 0.916,520 1.071,521 1.153,522 0.841,523 1.047,524 0.904,525 1.118,526 0.954,527 4.5,528 0.12,529 3.333,530 1.257,531 0.886,532 0.792,533 0.465,534 0.221,535 0.127,536 0.158,537 11401,538 23727,539 2.137,540 51.7,541 2,542 18,543 1,544 2,545 1,547 2,548 4,550 1.704,551 2.049,552 3.676,553 -0.358,555 1,559 78.939,560 1.361,561 3.526,562 4.836,563 5.06,564 5.155,565 5.155,566 3.128,567 4.182,568 4.778,569 3.853,570 1456.51,571 8.272,572 20308,574 1,576 1,577 339.763,578 1.198,579 4.76,580 0.145,581 0.006,582 0.079,583 0.031,584 0.025,585 0.026,586 0.016,587 0.008,588 0.006,589 0.008,590 0.348,591 0.33,592 1,593 0.959,594 144.105,595 0.15,596 -0.267,597 0.09,598 -0.115,599 0.184,600 -0.034,601 -0.077,602 0.112,603 -0.016,604 0.07,605 0.035,606 0.039,607 -0.126,608 -0.028,609 -0.104,610 -0.057,611 0.014,612 -0.075,613 -0.017,614 -0.033,615 -0.074,616 -0.072,617 0.04,618 -0.078,619 0.125,620 -0.123,621 0.068,622 -0.05,623 0.066,624 -0.005,625 0.044,626 0.081,627 0.162,628 0.16,629 0.102,630 0.171,631 0.091,632 -0.121,633 -0.019,634 -0.109,635 0.032,636 -0.081,637 -0.107,638 0.106,639 -0.059,640 0.042,641 -0.172,642 0.004,643 0.626,644 0.912,645 0.714,646 30.051,647 0.986,648 1.137,649 3.43,650 11.768,651 0.641,652 3.466,653 3.761,654 4.043,655 4.277,656 4.419,657 4.533,658 4.654,659 4.745,660 4.771,661 4.82,662 7.661,663 0.594,664 378.58,665 3.466,666 4.99,667 5.838,668 6.701,669 7.564,670 8.434,671 9.303,672 10.177,673 11.051,674 11.927,675 10.3,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 58,716 16,717 1,718 31,720 61,721 22,722 10,723 3,724 3,730 4,731 5,740 3,743 5,745 12,746 10,750 1,751 1,757 1,761 1,764 30,765 4,766 1,767 6,773 6,777 0.75,788 1,792 2,793 2,796 1,809 1,810 1,815 2,819 3,823 1,827 28,833 8,837 1,838 2,844 1,854 13.667,855 10.417,856 6.278,857 3.614,858 2.827,859 1.369,860 0.987,861 6.132,862 10.497,863 3.701,864 4.241,865 4.828,866 5.415,867 5.826,868 6.256,869 6.719,870 7.151,871 7.341,872 7.563,873 0.889,874 40,875 10.339,877 4.269,878 7.411,879 20.639,881 17.194,883 1.911,884 53.5,887 1,888 341.362,889 117.573,890 58.259,895 117.573,896 341.362,897 58.259,898 8.396,899 34.328,900 46.952,901 74.105,902 33.449,903 13.915,904 306.049,906 341.362,907 175.833,911 270.735,912 70.627,915 60.731,916 72.299,917 42.802,919 341.362,920 58.259,921 117.573,924 341.362,925 29.22,926 80.734,927 16.786,928 49.093,929 341.362,930 58.259,931 117.573,933 0.57,934 0.337,935 0.182,936 0.088,937 20,938 8,939 0.131,940 8,941 1,942 1.1,943 4.177,944 233.496,945 0.1,946 20,947 126.606,951 19.223,952 8.932,953 4.501,954 2.494,955 39.575,956 12.105,957 7.816,958 3.412,961 2.495,962 1.948,963 16.786,964 517.194,965 39.5,966 3.855,972 2.002,975 57.214,976 65.972,977 0.232,978 0.602,979 0.826,980 0.864,981 0.88,982 0.88,983 4.925,984 1.318,985 5.796,986 3.871,987 4.443,988 4.927,989 1.242,990 6.578,991 4.355,992 6.088,993 1.122,994 7.334,995 3.47,996 3.892,997 4.605,998 0.57,999 7.424,1000 3.745,1001 7.368,1002 1,1003 8.973,1004 2.5,1005 6.004,1006 7.085,1007 0.883,1008 10.509,1009 5.83,1010 8.688,1011 0.909,1012 10.675,1013 2.275,1014 6.347,1015 7.751,1016 0.581,1017 12.218,1018 6.123,1019 10.048,1020 0.823,1021 12.417,1022 2.092,1023 7.854,1024 9.624,1025 0.68,1026 14.786,1027 7.608,1028 11.437,1029 0.618,1030 14.185,1031 1.501,1032 8.6,1033 10.746,1034 0.515,1035 16.839,1036 8.317,1037 12.848,1038 0.586,1039 15.973,1040 1.372,1041 9.864,1042 12.387,1043 0.541,1044 19.236,1045 9.561,1046 3.118,1047 -0.013,1048 17.775,1049 1.318,1050 10.8,1051 13.719,1052 0.441,1053 21.436,1054 10.471,1055 2.821,1056 10.431,1057 19.587,1058 -0.031,1059 11.965,1060 15.27,1061 0.438,1062 23.777,1063 11.619,1064 2.752,1065 8.884,1066 21.408,1067 4.518,1068 12.99,1069 16.696,1070 0.373,1071 26.044,1072 12.625,1073 2.403,1074 8.585,1075 23.235,1076 3.731,1077 14.116,1078 18.214,1079 0.358,1080 28.369,1081 13.737,1082 2.033,1083 6.862,1084 25.067,1085 2.832,1086 15.185,1087 19.681,1088 0.314,1089 30.667,1090 14.791,1091 1.777,1092 6.001,1093 26.904,1094 2.808,1095 16.299,1096 21.188,1097 0.296,1098 32.991,1099 15.892,1100 1.585,1101 4.655,1102 28.745,1103 2.593,1104 17.389,1105 22.674,1106 0.264,1107 35.306,1108 16.97,1109 10772,1110 15767,1111 21.266,1112 37.171,1113 46.545,1114 45.648,1115 46.667,1116 45.729,1117 45.731,1118 57.69,1119 3.778,1120 127.637,1121 43.739,1122 5.568,1123 5.197,1124 6.335,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1131 10.388,1132 1.501,1133 1.473,1134 1.505,1135 1.475,1136 1.475,1137 1.861,1138 0.122,1139 4.117,1140 1.411,1141 4.153,1142 4.191,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.902,1148 3.971,1149 3.793,1150 3.74,1151 4.927,1152 3.742,1153 3.827,1154 3.903,1155 3.778,1156 3.59,1157 4.721,1158 3.626,1159 3.632,1160 3.707,1161 3.496,1162 3.463,1163 4.368,1164 3.462,1165 3.494,1166 3.561,1167 3.343,1168 3.365,1169 4.256,1170 3.353,1171 3.295,1172 3.366,1173 3.177,1174 3.129,1175 4.081,1176 3.133,1177 3.202,1178 3.297,1179 3.013,1180 2.982,1181 3.88,1182 2.975,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.683,1188 2.91,1189 0.147,1190 0.103,1191 0.212,1192 0.132,1193 0.101,1194 4.568,1195 0.146,1196 3.197,1197 0.03,1198 6.566,1199 0.336,1200 4.099,1201 0.099,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.075,1210 2.064,1211 1.438,1212 2.071,1213 1.862,1214 1.799,1215 2.032,1216 2.042,1217 1.28,1218 2.041,1219 1.682,1220 1.624,1221 1.894,1222 1.862,1223 1.122,1224 1.878,1225 1.577,1226 1.514,1227 1.814,1228 1.763,1229 0.946,1230 1.781,1231 1.407,1232 1.335,1233 1.605,1234 1.659,1235 0.825,1236 1.641,1237 1.33,1238 1.263,1239 1.56,1240 1.534,1241 0.743,1242 1.55,1243 1.2,1244 1.102,1245 1.513,1246 1.449,1247 0.589,1248 1.481,1249 1.153,1250 1.064,1251 1.48,1252 1.442,1253 0.576,1254 1.429,1255 4.143,1257 5.442,1258 3.045,1259 6.93,1260 5.283,1261 8.506,1262 7.286,1263 10.129,1265 2.215,1271 9.395,1275 0.707,1276 5.055,1280 34.45,1281 78.939,1282 204.53,1283 280.479,1284 293.498,1285 299.008,1286 299.008,1287 35.33,1288 7.669,1289 52.98,1290 52.98,1291 22,1292 12.466,1293 4.087,1294 3.248,1295 42.804,1296 130,1297 138,1298 0.159,1299 212.502,1300 354.54,1301 510.266,1302 24820,1304 19.347,1305 0.691,1306 0.597,1307 19.347,1308 16.719,1309 13.742,1310 0.443,1311 0.33,1312 10.09,1313 13.219,1314 9.838,1315 8.179,1316 13.742,1317 10.229,1318 11.857,1319 0.282,1320 0.186,1321 11.857,1322 7.818,1323 10.296,1324 0.184,1325 0.107,1326 10.296,1327 5.986,1328 8.501,1329 0.12,1330 0.061,1331 8.501,1332 4.297,1333 6.156,1334 0.075,1335 0.035,1336 6.156,1337 2.845,1338 0.259,1339 85.75,1340 0.217,1341 27.401,1342 0.411,1343 146,1344 334.558,1345 157.185,1346 332.143,1347 467.43,1348 314,1349 171,1350 357.476,1351 183.961,1352 365.209,1353 527.36,1354 342,1355 7.699} {0 CHEMBL148314,1 1.44,2 14.529,3 4.405,4 19.408,5 136.839,6 7.103,7 0.684,8 4.255,9 4.381,10 3.783,11 3.81,12 5.322,13 3.783,14 4.773,15 4.934,16 4.116,17 4.212,18 5.769,19 4.158,20 5.005,21 5.21,22 4.152,23 4.324,24 5.928,25 4.237,26 5.064,27 5.278,28 4.088,29 4.304,30 5.968,31 4.199,32 5.089,33 5.337,34 4.03,35 4.226,36 6.002,37 4.112,38 4.945,39 5.169,40 3.95,41 4.198,42 5.853,43 4.093,44 4.93,45 5.145,46 3.951,47 4.216,48 5.877,49 4.098,50 4.967,51 5.22,52 3.897,53 4.176,54 5.789,55 4.051,56 0.078,57 0.92,58 14.019,59 5.803,60 13.461,61 7.762,62 0.183,63 1.45,64 24.885,65 10.081,66 25.244,67 13.469,68 0.233,69 1.739,70 32.749,71 12.971,72 33.652,73 17.723,74 0.257,75 1.809,76 35.247,77 13.516,78 36.066,79 18.552,80 0.622,81 1.766,82 38.168,83 13.686,84 54.634,85 18.993,86 0.345,87 1.587,88 31.939,89 11.913,90 39.324,91 16.286,92 0.324,93 1.589,94 30.673,95 12.232,96 43.914,97 16.888,98 0.301,99 1.573,100 33.222,101 12.825,102 37.014,103 17.829,104 13,105 52,106 0.227,107 0.545,108 0.692,109 0.749,110 0.749,111 0.749,112 3.56,113 0.922,114 -3.82,115 -3.78,116 -3.59,119 43.8,121 2,125 4,140 10,141 6,142 2,149 2,150 2,161 2,162 2,163 2,169 14,172 6,176 8,178 14,180 2,182 8,186 8,189 11,191 2,193 6,197 2,199 8,201 2,202 1,203 4,206 2,207 2,208 2,210 2,211 14,213 2,220 2,222 18,224 2,226 4,228 2,229 2,231 4,233 18,235 2,237 4,242 4,244 12,249 2,254 6,256 10,258 2,259 2248,260 23.825,261 23.825,262 23.825,263 23.825,264 23.825,265 20.815,266 20.296,267 14.34,268 24.209,269 18.732,270 18.732,271 18.732,272 18.732,273 18.732,274 14.091,275 19.938,276 6.654,277 19.355,278 4.56,279 2.543,280 1.613,281 1.25,282 1.25,283 1.25,284 4.273,289 1,290 1090,291 3.606,294 165.663,295 294.318,298 285.742,302 2.263,303 21.975,306 0.75,307 0.5,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.71,314 72,315 494,316 4.551,317 3.231,318 6.546,319 4.077,320 3.093,321 4.504,322 1.151,323 10.36,324 3.043,325 4.55,326 3.188,327 6.546,328 4.076,329 3.092,330 4.504,331 1.151,332 10.36,333 3.042,334 4.2,335 3.12,336 6.141,337 3.839,338 2.851,339 3.805,341 9.046,342 2.818,343 3.716,344 2.801,345 5.323,346 3.326,347 2.387,348 3.13,350 6.884,351 2.242,352 3.697,353 2.653,354 5.307,355 3.294,356 2.343,357 3.12,359 6.827,360 2.224,361 3.347,362 2.193,363 5.098,364 2.947,365 1.977,366 2.675,368 5.919,369 1.908,370 3.344,371 2.15,372 5.095,373 2.935,374 1.965,375 2.673,377 5.91,378 1.896,379 2.928,380 1.951,381 4.418,382 2.585,383 1.609,384 2.101,386 4.377,387 1.567,388 2.919,389 1.574,390 4.157,391 2.462,392 1.47,393 2.065,395 3.516,396 1.457,397 2.741,398 1.394,399 4.152,400 2.302,401 1.322,402 1.845,404 3.494,405 1.294,406 2.739,407 1.393,408 3.641,409 2.301,410 1.321,411 1.841,413 3.081,414 1.293,415 2.338,416 1.214,417 3.35,418 2.023,419 1.075,420 1.3,422 2.148,423 1.016,424 2.335,425 1.196,426 3.349,427 2.023,428 1.074,429 1.297,431 2.141,432 1.015,433 2.052,434 1.027,435 3.196,436 1.728,437 0.789,438 0.972,440 1.711,441 0.734,442 2.009,443 1.021,444 3.167,445 1.669,446 0.736,447 0.911,449 1.557,450 0.681,451 16.267,452 0.478,453 0.598,454 0.018,455 44.5,456 1.309,457 23,458 0.676,459 21.5,460 0.632,461 28.515,462 0.839,463 35.933,464 0.561,465 34.042,466 1.001,467 8.972,468 0.264,469 7.774,470 0.229,471 0.049,473 0.307,479 1.059,480 1.064,481 0.868,482 0.949,483 1.206,484 0.884,485 1.232,486 1.051,487 0.967,488 1.004,489 1.026,490 0.964,491 1.099,492 1.057,493 0.971,494 1.062,495 0.911,496 1.015,497 1.208,498 1.18,499 1.108,500 1.216,501 0.925,502 1.164,503 1.164,504 0.845,505 0.949,506 0.913,507 0.945,508 0.917,509 1.427,510 0.901,511 1.076,512 0.925,513 1.226,514 0.962,515 0.927,516 1.036,517 1.085,518 1.132,519 0.833,520 1.134,521 1.065,522 0.852,523 0.884,524 0.873,525 0.858,526 0.872,527 5.5,528 0.115,529 3.778,530 1.708,531 1.529,532 1.028,533 0.354,534 0.415,535 0.419,536 0.188,537 19258,538 43537,539 2.163,540 46.9,542 18,543 2,545 6,547 4,550 1.758,551 2.082,552 3.794,553 3.028,559 92.187,560 1.44,561 3.457,562 4.387,563 4.75,564 4.75,565 4.75,566 3.22,567 3.852,568 5.061,569 3.98,570 2232.71,571 8.859,572 35710.9,574 1,577 384,578 1.166,579 5.043,580 0.145,581 0.003,582 0.073,583 0.033,584 0.033,585 0.024,586 0.008,587 0.01,588 0.01,589 0.005,590 0.345,591 0.17,592 0.88,593 0.871,594 185.306,595 -0.095,596 0.107,597 0.036,598 0.079,599 -0.185,600 0.082,601 -0.119,602 0.023,603 -0.026,604 0.021,605 -0.098,606 0.013,607 -0.054,608 -0.055,609 -0.008,610 -0.047,611 -0.031,612 -0.024,613 -0.071,614 -0.192,615 -0.13,616 -0.217,617 -0.062,618 -0.184,619 0.192,620 0.092,621 0.079,622 0.062,623 0.139,624 0.056,625 -0.19,626 0.076,627 -0.081,628 0.07,629 -0.166,630 0.016,631 0.039,632 -0.049,633 -0.125,634 -0.116,635 0.063,636 -0.137,637 -0.048,638 0.065,639 0.108,640 0.137,641 -0.011,642 0.138,643 1.029,644 2.669,645 0.706,646 38.021,647 0.993,648 1.122,649 2.592,650 6.72,651 0.669,652 3.664,653 3.97,654 4.277,655 4.554,656 4.754,657 4.812,658 4.92,659 5.043,660 5.1,661 5.198,662 8.384,663 0.631,664 454.62,665 3.664,666 5.198,667 6.057,668 6.932,669 7.808,670 8.689,671 9.569,672 10.452,673 11.334,674 12.218,675 6.3,676 2,683 2,687 4,688 12,690 2,693 6,695 26,712 2,714 64,716 26,717 3,718 38,720 68,721 28,722 22,723 8,724 10,730 5,731 7,736 2,743 2,745 22,746 6,764 30,765 4,766 6,767 6,773 4,777 0.6,778 2,788 2,792 2,793 3,796 2,812 2,819 3,827 34,828 2,833 6,835 2,847 3.1,852 2,854 16.333,855 11,856 7.639,857 3.743,858 5.364,859 1.628,860 1.04,861 6.973,862 13.901,863 3.951,864 4.595,865 5.252,866 5.878,867 6.386,868 6.668,869 7.039,870 7.425,871 7.509,872 7.825,873 0.9,874 52,875 12.544,877 5.291,878 7.549,879 24.464,881 20.327,883 2.049,884 69.667,888 282.506,889 163.986,890 99.365,892 22,895 163.986,896 304.506,897 99.365,899 84.26,900 112.857,902 83.946,903 27.83,904 258.964,906 282.506,907 263.351,908 22,911 235.422,912 69.084,915 117.831,916 145.521,919 282.506,920 121.365,921 163.986,924 282.506,925 51.129,926 112.857,927 33.571,928 87.794,929 282.506,930 121.365,931 163.986,933 0.567,934 0.34,935 0.195,936 0.107,937 25,938 10,939 0.147,940 10,941 2,942 1.167,943 4.656,944 314.501,945 0.167,946 24,947 134.974,951 22.689,952 10.449,953 5.058,954 4.514,955 87.794,956 24.543,958 6.599,961 6.31,963 99.365,964 567.858,965 51,975 63.549,976 71.81,977 0.24,978 0.576,979 0.731,980 0.792,981 0.792,982 0.792,983 5.168,984 1.609,985 6.019,986 5.91,987 4.654,988 5.283,989 1.84,990 6.821,991 4.593,992 6.375,993 1.47,994 7.565,995 4.377,996 4.111,997 5.094,999 7.695,1000 4.05,1001 7.686,1002 1.322,1003 9.212,1004 3.516,1005 6.232,1006 7.576,1007 2.081,1008 10.8,1009 6.13,1010 9.04,1011 1.321,1012 10.922,1013 3.494,1014 6.581,1015 8.294,1017 12.541,1018 6.48,1019 10.43,1020 1.075,1021 12.672,1022 3.081,1023 8.104,1024 10.194,1025 2.331,1026 15.132,1027 7.973,1028 11.847,1029 1.074,1030 14.449,1031 2.148,1032 8.866,1033 11.33,1035 17.22,1036 8.734,1037 13.283,1038 0.789,1039 16.247,1040 2.141,1041 10.146,1042 12.995,1043 2.588,1044 19.64,1045 9.992,1046 3.093,1047 0.736,1048 18.06,1049 1.711,1050 11.101,1051 14.328,1053 21.87,1054 10.942,1055 3.092,1056 10.36,1057 19.884,1058 1.557,1059 12.281,1060 15.894,1061 2.851,1062 24.229,1063 12.105,1064 2.851,1065 10.36,1066 21.717,1067 4.504,1068 13.325,1069 17.318,1071 26.518,1072 13.139,1073 2.387,1074 9.046,1075 23.558,1076 4.504,1077 14.465,1078 18.845,1079 3.117,1080 28.857,1081 14.264,1082 2.343,1083 6.884,1084 25.404,1085 3.805,1086 15.549,1087 20.31,1089 31.17,1090 15.337,1091 1.977,1092 6.827,1093 27.255,1094 3.13,1095 16.675,1096 21.821,1097 3.387,1098 33.503,1099 16.447,1100 1.965,1101 5.919,1102 29.109,1103 3.12,1104 17.778,1105 23.306,1107 35.827,1108 17.537,1109 17847,1110 26965,1111 26.235,1112 42.83,1113 56.508,1114 56.832,1115 57.96,1116 56.231,1117 56.287,1118 76.107,1119 4.603,1120 159.179,1121 54.391,1122 5.42,1123 5.231,1124 6.313,1125 5.167,1126 5.093,1127 7.504,1128 2.302,1129 17.015,1130 5.043,1131 11.921,1132 1.487,1133 1.496,1134 1.525,1135 1.48,1136 1.481,1137 2.003,1138 0.121,1139 4.189,1140 1.431,1141 4.152,1142 4.183,1143 4.109,1144 4.065,1145 5.058,1146 4.072,1147 4.111,1148 4.143,1149 4.071,1150 4.027,1151 5.021,1152 4.034,1153 3.928,1154 3.954,1155 3.865,1156 3.869,1157 4.966,1158 3.864,1159 3.566,1160 3.629,1161 3.455,1162 3.422,1163 4.953,1164 3.421,1165 3.56,1166 3.627,1167 3.441,1168 3.419,1169 4.765,1170 3.416,1171 3.378,1172 3.445,1173 3.239,1174 3.143,1175 4.56,1176 3.156,1177 3.37,1178 3.436,1179 3.236,1180 3.136,1181 4.496,1182 3.152,1183 3.146,1184 3.209,1185 3.001,1186 2.999,1187 4.008,1188 2.991,1189 0.12,1190 0.085,1191 0.172,1192 0.107,1193 0.081,1194 4.551,1195 0.119,1196 3.231,1197 0.03,1198 6.546,1199 0.273,1200 4.077,1201 0.08,1202 3.093,1203 4.504,1204 1.151,1205 10.36,1206 3.043,1207 1.96,1208 1.942,1209 2.059,1210 2.055,1211 1.237,1212 2.055,1213 1.934,1214 1.916,1215 2.018,1216 2.02,1217 1.224,1218 2.019,1219 1.897,1220 1.874,1221 1.998,1222 1.969,1223 1.196,1224 1.981,1225 1.649,1226 1.59,1227 1.851,1228 1.846,1229 1.016,1230 1.853,1231 1.648,1232 1.59,1233 1.85,1234 1.845,1235 1.012,1236 1.853,1237 1.296,1238 1.22,1239 1.529,1240 1.588,1241 0.643,1242 1.577,1243 1.295,1244 1.219,1245 1.528,1246 1.58,1247 0.593,1248 1.572,1249 1.194,1250 1.135,1251 1.451,1252 1.415,1253 0.554,1254 1.425,1255 4.344,1257 5.652,1258 3.045,1259 7.157,1260 5.416,1261 8.754,1262 7.516,1263 10.399,1269 11.499,1271 3.865,1273 12.337,1280 40.364,1281 92.187,1282 221.232,1283 280.781,1284 304,1285 304,1286 304,1287 48.194,1288 8.537,1289 102.08,1290 102.08,1291 28,1292 12.752,1293 4.755,1294 3.807,1295 50.191,1296 171,1297 169,1298 0.138,1299 245.357,1300 409.2,1301 590.432,1302 79756,1304 23.33,1305 0.686,1306 0.563,1307 23.33,1308 19.142,1309 16.746,1310 0.441,1311 0.307,1312 11.544,1313 16.259,1314 11.307,1315 9.363,1316 16.746,1317 11.674,1318 14.418,1319 0.277,1320 0.163,1321 14.418,1322 8.466,1323 12.618,1324 0.178,1325 0.087,1326 12.618,1327 6.212,1328 10.801,1329 0.115,1330 0.047,1331 10.801,1332 4.381,1333 8.749,1334 0.076,1335 0.025,1336 8.749,1337 2.894,1338 0.223,1339 103.907,1340 0.195,1341 31.949,1342 0.361,1343 180,1344 444.761,1345 191.915,1346 436.167,1347 615.78,1348 414,1349 213,1350 464.698,1351 225.305,1352 474.594,1353 696.77,1354 449,1355 8.824} {0 CHEMBL148325,1 1.477,2 15.647,3 3.064,4 9.387,5 135.961,6 7.041,7 0.553,8 4.271,9 4.411,10 3.803,11 3.778,12 5.304,13 3.754,14 4.828,15 5.027,16 4.141,17 4.199,18 5.784,19 4.143,20 5.097,21 5.333,22 4.136,23 4.355,24 5.951,25 4.249,26 5.213,27 5.47,28 4.081,29 4.368,30 6.081,31 4.236,32 5.227,33 5.512,34 4.017,35 4.293,36 6.066,37 4.152,38 5.103,39 5.38,40 3.966,41 4.214,42 5.95,43 4.09,44 5.008,45 5.262,46 3.92,47 4.22,48 5.805,49 4.081,50 5.074,51 5.356,52 3.772,53 4.186,54 5.823,55 4.016,56 0.069,57 1.034,58 14.45,59 5.48,60 12.116,61 7.945,62 0.378,63 1.655,64 27.129,65 9.218,66 27.319,67 13.741,68 0.288,69 1.959,70 36.586,71 12.76,72 34.255,73 19.03,74 0.404,75 2.054,76 42.329,77 14.333,78 51.097,79 21.355,80 0.452,81 1.967,82 44.255,83 14.379,84 59.695,85 21.707,86 0.545,87 1.799,88 38.984,89 12.183,90 54.726,91 18.499,92 0.277,93 1.738,94 33.784,95 12.271,96 32.137,97 18.275,98 0.37,99 1.742,100 37.316,101 12.582,102 41.384,103 19.127,104 5,105 52,106 0.233,107 0.576,108 0.747,109 0.816,110 0.843,111 0.843,112 3.56,113 0.942,114 -4.84,115 -4.75,116 -4.46,119 40,121 4,124 1,125 3,127 1,140 8,141 2,142 2,149 1,150 1,157 1,158 2,164 1,169 9,171 3,172 7,174 2,176 5,178 10,182 3,186 5,189 7,192 1,193 12,197 4,199 5,203 10,206 1,211 4,214 1,215 7,218 2,222 7,226 4,229 2,233 6,236 1,237 7,242 3,244 4,249 4,254 1,256 2,259 2142,260 23.499,261 23.499,262 23.499,263 23.499,264 23.499,265 20.93,266 30.406,267 14.034,268 23.985,269 18.77,270 18.77,271 18.77,272 18.77,273 18.77,274 14.939,275 40.798,276 6.686,277 19.539,278 4.545,279 2.379,280 1.293,281 0.858,282 0.689,283 0.689,284 4.269,289 1,290 1182,291 3.742,294 188.226,295 360.763,298 161.243,302 2.453,303 19.693,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 72.5,315 532,316 4.568,317 3.707,318 6.566,319 4.099,320 3.118,321 4.518,322 1.701,323 10.431,324 3.062,325 4.129,326 3.196,327 6.342,328 3.908,329 2.96,330 3.731,331 0.8,332 9.442,333 2.8,334 4.098,335 2.909,336 6.095,337 3.689,338 2.753,339 3.494,340 0.563,341 8.884,342 2.578,343 3.836,344 2.875,345 5.463,346 3.527,347 2.568,348 3.105,349 0.075,350 7.271,351 2.467,352 3.527,353 2.611,354 5.317,355 3.347,356 2.404,357 2.813,359 6.863,360 2.261,361 3.422,362 2.467,363 5.128,364 3.024,365 2.041,366 2.597,368 6.003,369 2.002,370 3.249,371 2.183,372 4.88,373 2.87,374 1.884,375 2.549,377 5.292,378 1.843,379 3.103,380 1.795,381 4.514,382 2.729,383 1.775,384 2.168,386 4.655,387 1.69,388 2.841,389 1.519,390 4.134,391 2.415,392 1.428,393 1.941,395 3.483,396 1.407,397 2.741,398 1.421,399 3.701,400 2.308,401 1.322,402 1.845,404 3.081,405 1.302,406 2.5,407 1.303,408 3.491,409 2.094,410 1.128,411 1.5,413 2.554,414 1.087,415 2.429,416 1.113,417 3.414,418 2,419 1,420 1.403,422 2.275,423 1,424 2.27,425 1.077,426 3.369,427 1.984,428 1,429 1.21,431 2.136,432 0.983,433 2.118,434 1,435 3.298,436 1.868,437 0.903,438 1,440 2.114,441 0.869,442 2.028,443 0.918,444 3.247,445 1.703,446 0.738,447 0.927,449 1.792,450 0.707,451 16.133,452 0.475,453 0.674,454 0.02,455 43,456 1.265,457 20,458 0.588,459 23,460 0.676,461 30.545,462 0.898,463 36.667,464 0.564,465 31.397,466 0.923,467 8.4,468 0.247,469 8.27,470 0.243,471 0.052,473 0.291,479 0.815,480 1.47,481 0.831,482 1.156,483 0.549,484 1.017,485 0.863,486 1.046,487 0.964,488 0.967,489 0.536,490 0.967,491 0.987,492 1.101,493 1.045,494 1.094,495 0.782,496 1.076,497 1.115,498 1.05,499 1.085,500 1.104,501 1.224,502 1.098,503 1.123,504 0.957,505 0.93,506 0.95,507 1.424,508 0.931,509 1.214,510 0.802,511 0.982,512 0.816,513 1.365,514 0.867,515 0.694,516 1.096,517 1.028,518 1.162,519 0.625,520 1.141,521 0.896,522 0.955,523 1.092,524 1.06,525 0.86,526 1.093,527 5.5,528 0.145,529 3.778,530 1.694,531 1.357,532 1.049,533 0.669,534 0.253,535 0.208,536 0.201,537 21106,538 50203,539 2.163,540 47.7,541 2,542 18,543 1,544 2,545 2,547 2,548 4,550 1.753,551 2.082,552 3.909,553 0.177,559 96.011,560 1.477,561 3.644,562 4.729,563 5.164,564 5.334,565 5.334,566 3.363,567 4.455,568 5.06,569 4.115,570 2308.35,571 8.829,572 38275.1,577 391.454,578 1.166,579 5.043,580 0.145,581 0.005,582 0.073,583 0.034,584 0.03,585 0.025,586 0.016,587 0.006,588 0.007,589 0.007,590 0.348,591 0.17,592 0.88,593 0.39,594 187.767,595 0.043,596 -0.22,597 0.077,598 -0.081,599 0.054,600 -0.013,601 0.123,602 0.116,603 -0.011,604 0.039,605 0.106,606 0.004,607 -0.103,608 -0.067,609 -0.087,610 -0.077,611 0.004,612 -0.077,613 -0.087,614 -0.085,615 -0.102,616 -0.107,617 -0.046,618 -0.107,619 -0.022,620 -0.064,621 0.08,622 0.026,623 -0.03,624 0.058,625 -0.045,626 0.14,627 0.032,628 0.141,629 -0.064,630 0.101,631 0.029,632 -0.111,633 -0.076,634 -0.137,635 -0.027,636 -0.125,637 -0.074,638 -0.02,639 -0.114,640 -0.073,641 -0.115,642 -0.095,643 1.699,644 5.593,645 0.765,646 42.235,647 0.995,648 1.134,649 3.614,650 13.06,651 0.656,652 3.664,653 3.97,654 4.248,655 4.477,656 4.635,657 4.71,658 4.844,659 4.934,660 4.97,661 5.037,662 9.159,663 0.618,664 457.64,665 3.664,666 5.198,667 6.047,668 6.911,669 7.772,670 8.64,671 9.507,672 10.378,673 11.248,674 12.122,675 10.8,678 1,682 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 65,716 22,717 2,718 38,720 69,721 26,722 16,723 4,724 8,730 5,731 6,735 1,740 3,743 5,745 17,746 9,750 1,755 1,759 1,764 31,765 6,766 2,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,815 1,819 4,823 1,827 34,833 7,834 1,837 1,838 2,844 1,847 1.5,850 1,854 16.333,855 11.667,856 7.472,857 4.008,858 3.499,859 1.424,860 1.006,861 7.048,862 11.754,863 3.922,864 4.489,865 5.061,866 5.625,867 6.048,868 6.369,869 6.811,870 7.225,871 7.395,872 7.612,873 1,874 50,875 12.571,877 5.304,878 7.554,879 24.633,881 20.547,883 2.054,884 69.833,888 341.362,889 144.638,890 76.27,892 25.145,895 144.638,896 366.507,897 76.27,898 8.396,899 37.59,900 84.857,901 99.25,902 33.081,903 18.191,904 306.049,906 341.362,907 220.908,908 25.145,911 270.735,912 95.772,915 76.636,916 110.946,917 33.326,919 341.362,920 101.415,921 144.638,924 341.362,925 34.147,926 118.639,927 34.796,928 58.471,929 341.362,930 101.415,931 144.638,933 0.577,934 0.34,935 0.18,936 0.09,937 25,938 10,939 0.101,940 7,941 1,942 1.077,943 4.763,944 306.969,945 0.077,946 26,947 160.974,951 22.788,952 10.517,953 5.411,954 2.417,955 82.73,956 21.608,957 7.818,958 3.398,961 3.251,962 1.928,963 34.796,964 587.415,965 49.5,970 12.593,974 -0.033,975 64.643,976 73.68,977 0.245,978 0.605,979 0.785,980 0.858,981 0.886,982 0.886,983 5.149,984 1.775,985 6.009,986 5.292,987 4.654,988 5.176,989 2.001,990 6.788,991 4.577,992 6.324,993 1.428,994 7.546,995 4.655,996 4.111,997 4.832,998 1.404,999 7.615,1000 3.981,1001 7.609,1002 1.322,1003 9.184,1004 3.483,1005 6.217,1006 7.328,1007 2.548,1008 10.71,1009 6.058,1010 8.93,1011 1.128,1012 10.883,1013 3.081,1014 6.553,1015 7.917,1016 2.498,1017 12.396,1018 6.339,1019 10.288,1020 1,1021 12.623,1022 2.554,1023 8.062,1024 9.82,1025 3.397,1026 14.978,1027 7.827,1028 11.671,1029 1,1030 14.39,1031 2.275,1032 8.798,1033 10.864,1034 3.613,1035 17.013,1036 8.517,1037 13.074,1038 0.903,1039 16.177,1040 2.136,1041 10.066,1042 12.524,1043 4.36,1044 19.42,1045 9.764,1046 3.118,1047 0.738,1048 17.978,1049 2.114,1050 10.995,1051 13.799,1052 4.718,1053 21.607,1054 10.656,1055 2.96,1056 10.431,1057 19.79,1058 1.792,1059 12.162,1060 15.358,1061 5.373,1062 23.952,1063 11.803,1064 2.753,1065 9.442,1066 21.611,1067 4.518,1068 13.183,1069 16.748,1070 5.808,1071 26.208,1072 12.794,1073 2.568,1074 8.884,1075 23.439,1076 3.731,1077 14.31,1078 18.267,1079 6.409,1080 28.532,1081 13.902,1082 2.404,1083 7.271,1084 25.273,1085 3.494,1086 15.376,1087 19.714,1088 6.887,1089 30.821,1090 14.944,1091 2.041,1092 6.863,1093 27.112,1094 3.105,1095 16.49,1096 21.219,1097 7.458,1098 33.141,1099 16.04,1100 1.884,1101 6.003,1102 28.955,1103 2.813,1104 17.578,1105 22.695,1106 7.96,1107 35.448,1108 17.109,1109 19354,1110 30025,1111 26.235,1112 42.631,1113 57.106,1114 57.291,1115 57.189,1116 56.402,1117 56.43,1118 72.818,1119 6.28,1120 158.091,1121 54.324,1122 5.568,1123 5.707,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 2.972,1129 17.162,1130 5.062,1131 11.104,1132 1.503,1133 1.508,1134 1.505,1135 1.484,1136 1.485,1137 1.916,1138 0.165,1139 4.16,1140 1.43,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 7.429,1146 4.07,1147 3.937,1148 3.99,1149 3.861,1150 3.832,1151 5.135,1152 3.831,1153 3.86,1154 3.915,1155 3.79,1156 3.72,1157 4.927,1158 3.721,1159 3.824,1160 3.895,1161 3.75,1162 3.587,1163 4.77,1164 3.624,1165 3.587,1166 3.656,1167 3.478,1168 3.402,1169 4.371,1170 3.406,1171 3.435,1172 3.498,1173 3.319,1174 3.213,1175 4.256,1176 3.239,1177 3.267,1178 3.336,1179 3.154,1180 3.09,1181 4.086,1182 3.097,1183 3.111,1184 3.206,1185 2.932,1186 2.941,1187 3.909,1188 2.91,1189 0.12,1190 0.098,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.707,1197 0.045,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 1.701,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.07,1210 2.066,1211 1.432,1212 2.07,1213 1.893,1214 1.859,1215 2.031,1216 2.044,1217 1.277,1218 2.041,1219 1.847,1220 1.787,1221 2.007,1222 1.982,1223 1.119,1224 1.992,1225 1.669,1226 1.613,1227 1.877,1228 1.843,1229 1.061,1230 1.857,1231 1.435,1232 1.363,1233 1.659,1234 1.704,1235 0.825,1236 1.689,1237 1.386,1238 1.318,1239 1.571,1240 1.642,1241 0.8,1242 1.623,1243 1.273,1244 1.205,1245 1.513,1246 1.489,1247 0.68,1248 1.5,1249 1.153,1250 1.064,1251 1.48,1252 1.442,1253 0.58,1254 1.429,1255 4.344,1257 5.652,1258 3.045,1259 7.148,1260 5.283,1261 8.724,1262 7.286,1263 10.344,1265 1.906,1271 7.287,1272 2.989,1275 0.282,1276 4.389,1280 40.186,1281 96.011,1282 236.832,1283 307.415,1284 335.679,1285 346.699,1286 346.699,1287 49.17,1288 8.256,1289 82.08,1290 82.08,1291 28,1292 12.664,1293 4.524,1294 3.644,1295 50.484,1296 192,1297 172,1298 0.126,1299 245.487,1300 412.35,1301 590.748,1302 55952,1304 23.33,1305 0.686,1306 0.574,1307 23.33,1308 19.522,1309 16.67,1310 0.439,1311 0.314,1312 11.768,1313 16.025,1314 11.519,1315 9.548,1316 16.67,1317 11.934,1318 14.667,1319 0.282,1320 0.173,1321 14.667,1322 8.996,1323 12.819,1324 0.186,1325 0.099,1326 12.819,1327 6.839,1328 10.395,1329 0.119,1330 0.055,1331 10.395,1332 4.79,1333 7.827,1334 0.077,1335 0.032,1336 7.827,1337 3.242,1338 0.207,1339 104.268,1340 0.195,1341 32.455,1342 0.319,1343 180,1344 460.627,1345 195.952,1346 452.691,1347 630.53,1348 426,1349 211,1350 478.07,1351 228.12,1352 485.454,1353 702.48,1354 456,1355 7.745} {0 CHEMBL148552,1 1.49,2 15.357,3 2.705,4 7.319,5 161.968,6 7.083,7 0.261,8 4.478,9 4.592,10 3.998,11 3.989,12 5.538,13 3.968,14 5.06,15 5.235,16 4.378,17 4.409,18 6.089,19 4.367,20 5.313,21 5.501,22 4.519,23 4.637,24 6.298,25 4.571,26 5.524,27 5.722,28 4.605,29 4.745,30 6.588,31 4.665,32 5.636,33 5.86,34 4.567,35 4.773,36 6.674,37 4.67,38 5.635,39 5.888,40 4.496,41 4.712,42 6.655,43 4.59,44 5.574,45 5.838,46 4.341,47 4.576,48 6.546,49 4.45,50 5.401,51 5.648,52 4.211,53 4.422,54 6.366,55 4.301,56 0.033,57 1.125,58 17.704,59 7.887,60 10.03,61 10.279,62 0.565,63 1.847,64 34.835,65 13.076,66 50.955,67 17.697,68 0.36,69 2.369,70 44.575,71 17.231,72 52.981,73 23.463,74 0.72,75 2.75,76 56.974,77 21.084,78 102.316,79 28.417,80 0.883,81 2.975,82 65.47,83 22.696,84 126.377,85 31.494,86 0.836,87 2.949,88 66.195,89 22.433,90 136.969,91 32.423,92 1.15,93 2.656,94 64.159,95 20.111,96 140.703,97 29.129,98 1.022,99 2.211,100 53.641,101 17.505,102 111.038,103 24.605,104 55,105 66,106 0.226,107 0.539,108 0.732,109 0.82,110 0.848,111 0.86,112 3.765,113 0.945,114 -3.76,115 -3.72,116 -3.54,119 40.7,120 3,121 3,122 1,123 1,124 1,125 4,126 1,135 2,137 2,140 8,141 2,142 2,154 1,156 2,169 15,171 2,172 10,174 1,176 6,178 21,182 13,186 2,189 18,193 15,195 3,196 1,197 5,199 18,202 2,203 13,208 4,211 10,214 2,215 12,218 1,220 7,222 8,225 2,226 7,229 2,231 1,233 4,236 2,237 9,240 3,242 1,244 7,249 4,252 2,254 2,256 4,259 3658,260 28.283,261 28.283,262 28.283,263 28.283,264 28.283,265 25.844,266 42.786,267 16.403,268 28.763,269 22.551,270 22.551,271 22.551,272 22.551,273 22.551,274 18.731,275 57.569,276 7.54,277 23.144,278 4.85,279 2.789,280 1.519,281 0.939,282 0.753,283 0.679,284 4.463,289 1,290 1400,291 4.69,294 108.345,295 596.909,298 183.3,302 2.037,303 51.427,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.83,312 1,313 0.81,314 91.5,315 645,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.124,322 2.491,323 14.979,324 3.59,325 4.646,326 3.897,327 7.133,328 4.35,329 3.353,330 3.972,331 1.392,332 12.416,333 3.342,334 4.26,335 3.55,336 6.268,337 3.861,338 2.909,339 3.851,340 1.36,341 9.253,342 2.764,343 4.091,344 3.321,345 6.198,346 3.688,347 2.676,348 3.485,349 1.277,350 9.052,351 2.702,352 3.631,353 3.118,354 5.682,355 3.382,356 2.456,357 3.04,358 1.058,359 7.405,360 2.28,361 3.607,362 3.053,363 5.46,364 3.3,365 2.327,366 2.896,367 0.8,368 6.944,369 2.256,370 3.461,371 2.764,372 5.337,373 3.167,374 2.176,375 2.483,376 0.759,377 6.11,378 2.144,379 3.346,380 2.713,381 5.009,382 3.042,383 2.051,384 2.432,385 0.532,386 5.605,387 2.018,388 3.093,389 2.374,390 4.613,391 2.697,392 1.707,393 2.13,394 0.473,395 4.453,396 1.683,397 3.005,398 2.009,399 4.579,400 2.617,401 1.642,402 2.106,403 0.359,404 4.201,405 1.58,406 2.886,407 1.997,408 4.413,409 2.479,410 1.534,411 2.025,413 4.065,414 1.445,415 2.611,416 1.944,417 4.293,418 2.42,419 1.426,420 1.612,422 3.595,423 1.407,424 2.557,425 1.701,426 3.802,427 2.294,428 1.292,429 1.542,431 2.924,432 1.287,433 2.5,434 1.584,435 3.683,436 2.144,437 1.157,438 1.5,440 2.691,441 1.136,442 2.383,443 1.461,444 3.598,445 2.026,446 1.025,447 1.343,449 2.372,450 1.024,451 19.7,452 0.469,453 1.098,454 0.026,455 47.5,456 1.131,457 20.5,458 0.488,459 27,460 0.643,461 48.855,462 1.163,463 46.9,464 0.579,465 43.478,466 1.035,467 9.488,468 0.226,469 10.758,470 0.256,471 0.152,472 0.025,473 0.325,479 0.754,480 1.347,481 0.82,482 1.191,483 0.567,484 1.039,485 0.866,486 0.997,487 0.859,488 0.899,489 0.563,490 0.874,491 0.882,492 1.105,493 0.973,494 1.076,495 0.892,496 1.035,497 1.049,498 1.1,499 1.056,500 1.114,501 1.227,502 1.094,503 1.098,504 1.095,505 1.085,506 1.066,507 1.313,508 1.074,509 0.806,510 1.11,511 0.957,512 1.07,513 0.887,514 1.041,515 1.01,516 0.909,517 1.008,518 0.914,519 1.176,520 0.945,521 1.078,522 0.989,523 1.038,524 0.988,525 1.032,526 1.009,527 8.5,528 0.276,529 5.778,530 3.944,531 2.986,532 2.114,533 1.266,534 0.833,535 0.489,536 0.263,537 31327,538 80444,539 2.054,540 48.1,541 1,542 19,543 2,545 2,546 3,547 10,548 2,550 1.81,551 1.902,552 3.79,553 0.102,559 120.667,560 1.49,561 3.551,562 4.821,563 5.401,564 5.587,565 5.661,566 3.154,567 4.898,568 5.369,569 4.066,570 3500.69,571 9.477,572 64498,577 513.528,578 1.583,579 5.308,580 0.185,581 0.007,582 0.088,583 0.053,584 0.038,585 0.029,586 0.019,587 0.015,588 0.01,589 0.007,590 0.451,591 0.33,592 0.75,593 0.897,594 242.124,595 -0.025,596 -0.121,597 0.057,598 -0.055,599 -0.024,600 0.006,601 0.074,602 0.126,603 0.089,604 0.144,605 0.077,606 0.125,607 -0.081,608 0.007,609 -0.043,610 -0.028,611 -0.055,612 -0.023,613 -0.051,614 -0.057,615 -0.087,616 -0.092,617 -0.047,618 -0.099,619 -0.09,620 -0.091,621 -0.1,622 -0.077,623 -0.092,624 -0.09,625 0.049,626 -0.125,627 0.023,628 -0.1,629 0.082,630 -0.052,631 0.021,632 0.048,633 0.009,634 0.018,635 -0.053,636 0.016,637 0.044,638 -0.048,639 -0.018,640 -0.034,641 -0.018,642 -0.041,643 1.874,644 6.638,645 0.643,646 50.295,647 1.002,648 1.126,649 2.53,650 6.399,651 0.648,652 3.85,653 4.205,654 4.533,655 4.82,656 5.03,657 5.13,658 5.22,659 5.298,660 5.273,661 5.278,662 9.219,663 0.615,664 573.75,665 3.85,666 5.416,667 6.293,668 7.198,669 8.097,670 9.009,671 9.914,672 10.829,673 11.739,674 12.655,675 3.7,677 1,678 1,682 1,688 8,693 4,695 12,712 2,714 81,716 17,717 2,718 46,720 85,721 33,722 12,723 4,724 8,725 6,730 5,731 6,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 14,747 1,750 5,755 3,759 7,764 39,765 9,766 2,767 9,773 3,777 0.8,778 6,792 1,793 4,796 1,803 1,805 1,808 1,810 2,811 2,814 1,815 1,819 4,823 4,827 42,833 8,834 2,835 3,837 1,838 1,839 1,847 7.4,850 3,852 3,854 22.083,855 15.7,856 9.306,857 4.939,858 2.618,859 1.307,860 0.954,861 9.288,862 11.137,863 4.06,864 4.605,865 5.124,866 5.622,867 6.075,868 6.288,869 6.589,870 6.888,871 6.976,872 7.023,873 0.9,874 75,875 15.713,877 6.807,878 7.772,879 30.008,881 25.044,883 2.272,884 95.417,888 435.531,889 181.617,890 39.146,892 108.434,895 181.617,896 543.965,897 39.146,898 37.359,899 40.687,900 93.821,901 97.978,902 59.353,903 23.542,904 411.989,906 435.531,907 220.763,908 108.434,911 294.278,912 249.688,915 88.298,916 126.952,917 5.513,919 435.531,920 147.58,921 181.617,924 435.531,925 68.449,926 116.293,927 36.022,928 108.434,929 435.531,930 147.58,931 181.617,933 0.585,934 0.361,935 0.204,936 0.108,937 31,938 15,939 0.118,940 10,941 1,942 1.074,943 4.943,944 434.99,945 0.074,946 27,947 218.477,951 30.181,952 12.925,953 6.117,955 147.58,956 15.449,961 3.055,963 36.022,964 764.728,965 57,970 39.273,974 2.053,975 81.174,976 91.225,977 0.235,978 0.56,979 0.76,980 0.852,981 0.881,982 0.893,983 5.342,984 2.051,985 6.312,986 6.11,987 4.89,988 5.293,989 3.298,990 7.216,991 4.848,992 6.549,993 1.707,994 7.936,995 5.605,996 4.635,997 5.165,998 2.459,999 8.537,1000 4.597,1001 7.881,1002 1.642,1003 9.681,1004 4.453,1005 6.592,1006 7.409,1007 4.271,1008 11.676,1009 6.523,1010 9.252,1011 1.534,1012 11.503,1013 4.201,1014 7.209,1015 8.089,1016 4.414,1017 13.911,1018 7.154,1019 10.66,1020 1.426,1021 13.38,1022 4.065,1023 8.666,1024 9.843,1025 5.721,1026 16.674,1027 8.593,1028 12.095,1029 1.292,1030 15.298,1031 3.595,1032 9.658,1033 10.878,1034 6.312,1035 19.217,1036 9.597,1037 13.55,1038 1.157,1039 17.245,1040 2.924,1041 10.956,1042 12.439,1043 7.399,1044 21.905,1045 10.888,1046 3.6,1047 1.025,1048 19.217,1049 2.691,1050 12.103,1051 13.643,1052 8.176,1053 24.545,1054 12.042,1055 3.353,1056 14.979,1057 21.206,1058 2.372,1059 13.358,1060 15.118,1061 9.168,1062 27.227,1063 13.294,1064 2.909,1065 12.416,1066 23.21,1067 4.124,1068 14.567,1069 16.407,1070 10.021,1071 29.9,1072 14.507,1073 2.676,1074 9.253,1075 25.226,1076 3.972,1077 15.816,1078 17.84,1079 10.971,1080 32.586,1081 15.755,1082 2.456,1083 9.052,1084 27.25,1085 3.851,1086 17.052,1087 19.175,1088 11.856,1089 35.273,1090 16.993,1091 2.327,1092 7.405,1093 29.283,1094 3.485,1095 18.303,1096 20.588,1097 12.787,1098 37.965,1099 18.244,1100 2.176,1101 6.944,1102 31.321,1103 3.04,1104 19.553,1105 21.948,1106 13.687,1107 40.659,1108 19.494,1109 29493,1110 47443,1111 30.224,1112 52.449,1113 69.733,1114 72.319,1115 73.228,1116 68.911,1117 68.983,1118 83.918,1119 21,1120 206.257,1121 67.452,1122 5.705,1123 6.2,1124 7.745,1125 5.641,1126 5.6,1127 7.124,1128 4.241,1129 22.771,1130 5.59,1131 23.718,1132 1.516,1133 1.572,1134 1.592,1135 1.498,1136 1.5,1137 1.824,1138 0.457,1139 4.484,1140 1.466,1141 4.065,1142 4.091,1143 4.016,1144 3.979,1145 7.434,1146 3.984,1147 3.993,1148 4.021,1149 3.93,1150 3.918,1151 7.428,1152 3.916,1153 3.841,1154 3.86,1155 3.795,1156 3.714,1157 7.426,1158 3.729,1159 3.766,1160 3.82,1161 3.658,1162 3.633,1163 5.007,1164 3.632,1165 3.627,1166 3.678,1167 3.534,1168 3.459,1169 4.756,1170 3.465,1171 3.505,1172 3.541,1173 3.411,1174 3.352,1175 4.601,1176 3.354,1177 3.392,1178 3.437,1179 3.267,1180 3.105,1181 4.496,1182 3.136,1183 3.306,1184 3.353,1185 3.194,1186 3.07,1187 4.308,1188 3.091,1189 0.102,1190 0.091,1191 0.173,1192 0.1,1193 0.078,1194 4.705,1195 0.09,1196 4.2,1197 0.054,1198 7.943,1199 0.326,1200 4.599,1201 0.078,1202 3.6,1203 4.124,1204 2.491,1205 14.979,1206 3.59,1207 1.982,1208 1.962,1209 2.108,1210 2.092,1211 1.452,1212 2.098,1213 1.977,1214 1.949,1215 2.066,1216 2.075,1217 1.313,1218 2.073,1219 1.763,1220 1.73,1221 1.951,1222 1.919,1223 1.2,1224 1.933,1225 1.744,1226 1.699,1227 1.866,1228 1.868,1229 1.015,1230 1.867,1231 1.595,1232 1.54,1233 1.826,1234 1.792,1235 0.98,1236 1.802,1237 1.472,1238 1.43,1239 1.714,1240 1.669,1241 0.825,1242 1.678,1243 1.288,1244 1.233,1245 1.616,1246 1.609,1247 0.804,1248 1.598,1249 1.259,1250 1.185,1251 1.597,1252 1.52,1253 0.669,1254 1.544,1255 4.533,1257 5.878,1258 2.398,1259 7.432,1260 4.595,1261 9.089,1262 6.581,1263 10.803,1265 6.708,1271 5.092,1272 6.337,1273 16.264,1275 -0.523,1276 2.332,1277 -0.623,1280 49.835,1281 120.667,1282 287.627,1283 390.469,1284 437.489,1285 452.508,1286 458.508,1287 108.554,1288 8.519,1289 106.2,1290 106.2,1291 29,1292 13.167,1293 4.17,1294 3.585,1295 69.17,1296 237,1297 216,1298 0.139,1299 302.51,1300 552.56,1301 729.884,1302 72767,1304 29.855,1305 0.711,1306 0.589,1307 29.855,1308 24.75,1309 20.246,1310 0.44,1311 0.315,1312 14.265,1313 19.39,1314 13.802,1315 11.428,1316 20.246,1317 14.484,1318 18.273,1319 0.277,1320 0.17,1321 18.273,1322 11.195,1323 15.818,1324 0.172,1325 0.094,1326 15.818,1327 8.663,1328 13.658,1329 0.111,1330 0.053,1331 13.658,1332 6.509,1333 10.519,1334 0.069,1335 0.03,1336 10.519,1337 4.499,1338 0.224,1339 127.615,1340 0.182,1341 37.54,1342 0.366,1343 224,1344 660.724,1345 246.684,1346 620.554,1347 838.92,1348 582,1349 270,1350 601.42,1351 292.551,1352 608.407,1353 895.81,1354 569,1355 5.757} {0 CHEMBL149263,1 1.521,2 15.442,3 2.466,4 6.082,5 164.987,6 7.094,7 0.255,8 4.505,9 4.624,10 4.021,11 4.003,12 5.575,13 3.985,14 5.081,15 5.254,16 4.402,17 4.423,18 6.146,19 4.381,20 5.348,21 5.544,22 4.535,23 4.643,24 6.319,25 4.579,26 5.531,27 5.73,28 4.634,29 4.743,30 6.623,31 4.67,32 5.647,33 5.87,34 4.605,35 4.772,36 6.721,37 4.682,38 5.645,39 5.89,40 4.553,41 4.738,42 6.708,43 4.625,44 5.636,45 5.903,46 4.399,47 4.635,48 6.613,49 4.506,50 5.481,51 5.741,52 4.257,53 4.474,54 6.44,55 4.347,56 0.06,57 1.176,58 18.277,59 7.857,60 12.658,61 10.378,62 0.607,63 1.898,64 35.491,65 13.236,66 61.679,67 18.082,68 0.444,69 2.425,70 46.711,71 17.462,72 56.909,73 24.051,74 0.762,75 2.778,76 57.417,77 20.741,78 105.4,79 28.243,80 1.001,81 2.992,82 66.522,83 21.936,84 144.641,85 30.795,86 0.932,87 2.999,88 66.444,89 22.099,90 150.997,91 32.191,92 1.256,93 2.806,94 68.192,95 20.897,96 153.861,97 30.925,98 1.167,99 2.362,100 58.563,101 18.251,102 125.756,103 26.503,104 56,105 67,106 0.23,107 0.554,108 0.749,109 0.823,110 0.85,111 0.854,112 3.788,113 0.949,114 -3.43,115 -3.41,116 -3.26,119 39.8,120 3,121 3,122 1,123 1,125 5,126 1,135 2,137 2,140 8,141 2,142 2,156 3,161 1,162 1,163 1,169 15,171 2,172 10,173 1,174 2,176 7,178 20,180 1,182 13,186 3,189 17,191 1,193 16,195 3,196 2,197 7,198 1,199 16,201 3,202 2,203 13,208 6,211 11,213 2,214 2,215 11,217 1,218 2,219 1,220 8,221 1,222 8,224 2,225 2,226 7,228 1,229 3,231 1,233 6,236 2,237 8,239 1,240 4,242 2,244 7,246 1,249 4,252 2,254 2,256 5,259 3843,260 28.99,261 28.99,262 28.99,263 28.99,264 28.99,265 26.551,266 44.253,267 17.013,268 29.532,269 23.089,270 23.089,271 23.089,272 23.089,273 23.089,274 19.292,275 59.238,276 7.845,277 23.798,278 4.854,279 2.709,280 1.422,281 0.931,282 0.75,283 0.726,284 4.486,289 1,290 1437,291 4.796,294 111.93,295 615.599,298 189.513,302 2.065,303 55.351,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 94,315 664,316 4.706,317 4.203,318 7.944,319 4.599,320 3.601,321 4.124,322 2.491,323 14.984,324 3.591,325 4.646,326 3.889,327 7.133,328 4.349,329 3.353,330 3.973,331 1.392,332 12.416,333 3.336,334 4.26,335 3.529,336 6.268,337 3.861,338 2.909,339 3.851,340 1.36,341 9.253,342 2.763,343 4.091,344 3.319,345 6.198,346 3.682,347 2.676,348 3.485,349 1.058,350 9.052,351 2.684,352 3.635,353 3.104,354 5.682,355 3.382,356 2.456,357 3.043,358 0.98,359 7.405,360 2.279,361 3.607,362 3.063,363 5.468,364 3.299,365 2.327,366 2.896,367 0.8,368 6.945,369 2.254,370 3.464,371 2.765,372 5.338,373 3.176,374 2.188,375 2.485,376 0.759,377 6.171,378 2.148,379 3.346,380 2.712,381 5.009,382 3.035,383 2.051,384 2.433,385 0.532,386 5.605,387 2.003,388 3.094,389 2.372,390 4.617,391 2.704,392 1.74,393 2.137,394 0.473,395 4.456,396 1.673,397 3.027,398 2.017,399 4.604,400 2.657,401 1.683,402 2.121,403 0.359,404 4.311,405 1.616,406 2.886,407 1.997,408 4.413,409 2.479,410 1.534,411 2.025,413 4.2,414 1.444,415 2.616,416 1.944,417 4.293,418 2.417,419 1.428,420 1.625,422 3.596,423 1.403,424 2.564,425 1.803,426 3.802,427 2.292,428 1.292,429 1.553,431 2.924,432 1.285,433 2.5,434 1.7,435 3.683,436 2.173,437 1.192,438 1.5,440 2.716,441 1.164,442 2.392,443 1.583,444 3.6,445 2.027,446 1.027,447 1.357,449 2.372,450 1.025,451 20.1,452 0.467,453 1.098,454 0.026,455 48.25,456 1.122,457 20.5,458 0.477,459 27.75,460 0.645,461 50.353,462 1.171,463 48.3,464 0.582,465 44.864,466 1.043,467 9.57,468 0.223,469 11.177,470 0.26,471 0.144,472 0.025,473 0.318,479 0.794,480 1.329,481 0.833,482 1.173,483 0.629,484 1.026,485 0.818,486 1.041,487 0.863,488 0.958,489 0.512,490 0.919,491 0.922,492 1.073,493 0.951,494 1.042,495 0.839,496 0.999,497 1.047,498 1.115,499 1.038,500 1.132,501 1.213,502 1.096,503 1.197,504 1.088,505 1.094,506 1.039,507 1.46,508 1.048,509 0.809,510 1.136,511 0.984,512 1.108,513 0.879,514 1.079,515 0.944,516 0.936,517 1.005,518 0.94,519 1.099,520 0.97,521 0.997,522 0.946,523 1.001,524 0.949,525 0.964,526 0.975,527 8.5,528 0.276,529 5.778,530 4.069,531 2.986,532 2.114,533 1.286,534 0.877,535 0.509,536 0.263,537 33290,538 86051,539 2.052,540 48.2,541 1,542 18,543 2,545 4,547 13,548 2,550 1.815,551 1.904,552 3.815,553 1.372,559 126.276,560 1.521,561 3.666,562 4.953,563 5.444,564 5.625,565 5.649,566 3.164,567 5.037,568 5.403,569 4.089,570 3692.39,571 9.546,572 69447.4,577 529.128,578 1.569,579 5.344,580 0.181,581 0.007,582 0.086,583 0.054,584 0.037,585 0.028,586 0.018,587 0.015,588 0.01,589 0.007,590 0.443,591 0.17,592 0.5,593 1.011,594 249.749,595 -0.048,596 -0.075,597 0.047,598 -0.029,599 -0.05,600 0.022,601 0.111,602 0.091,603 0.081,604 0.103,605 0.126,606 0.09,607 -0.087,608 0.024,609 -0.013,610 0.009,611 -0.053,612 0.017,613 -0.039,614 -0.064,615 -0.07,616 -0.103,617 -0.032,618 -0.098,619 -0.121,620 -0.081,621 -0.099,622 -0.052,623 -0.122,624 -0.071,625 0.058,626 -0.135,627 -0.008,628 -0.129,629 0.103,630 -0.089,631 0.039,632 0.017,633 0.004,634 -0.005,635 -0.042,636 -0.004,637 0.066,638 -0.016,639 0.016,640 -0.005,642 -0.007,643 2.259,644 6.626,645 0.628,646 52.259,647 1.003,648 1.129,649 2.205,650 4.861,651 0.644,652 3.871,653 4.22,654 4.543,655 4.836,656 5.05,657 5.153,658 5.242,659 5.328,660 5.303,661 5.298,662 9.391,663 0.613,664 588.77,665 3.871,666 5.434,667 6.308,668 7.212,669 8.109,670 9.02,671 9.926,672 10.841,673 11.75,674 12.667,675 4.8,677 1,678 1,682 2,688 8,693 4,695 12,712 2,714 83,716 17,717 2,718 47,720 87,721 33,722 12,723 4,724 8,725 6,730 5,731 6,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 14,747 1,750 5,755 3,759 7,764 40,765 10,766 4,767 10,773 4,777 0.8,778 6,792 1,793 4,796 1,804 1,805 1,808 1,810 2,811 2,814 1,815 1,819 4,823 3,827 43,828 1,833 9,834 2,835 3,837 1,838 1,839 1,847 7.2,850 3,852 3,854 22.583,855 15.533,856 9.556,857 5.189,858 2.598,859 1.304,860 0.958,861 9.796,862 11.154,863 4.078,864 4.615,865 5.13,866 5.633,867 6.082,868 6.297,869 6.598,870 6.899,871 6.989,872 7.038,873 0.9,874 76,875 16.095,877 6.995,878 7.8,879 30.617,881 25.52,883 2.3,884 98.917,888 423.76,889 174.898,890 72.043,892 108.434,895 174.898,896 532.194,897 72.043,898 26.476,899 78.177,900 93.821,901 97.549,902 59.353,903 23.542,904 400.217,906 423.76,907 246.941,908 108.434,911 247.193,912 285.001,915 125.788,916 115.64,917 5.513,919 423.76,920 180.477,921 174.898,924 423.76,925 72.612,926 105.41,927 36.022,928 141.332,929 423.76,930 180.477,931 174.898,933 0.582,934 0.355,935 0.204,936 0.11,937 31,938 15,939 0.126,940 11,941 1,942 1.074,943 5.018,944 447.782,945 0.074,946 27,947 223.329,951 31.111,952 13.54,953 6.469,955 180.477,956 15.323,961 2.907,963 68.919,964 779.135,965 58,970 39.279,974 1.047,975 83.276,976 93.723,977 0.239,978 0.575,979 0.777,980 0.854,981 0.882,982 0.886,983 5.357,984 2.051,985 6.323,986 6.171,987 4.905,988 5.303,989 3.247,990 7.223,991 4.857,992 6.559,993 1.74,994 7.943,995 5.605,996 4.635,997 5.165,998 2.459,999 8.537,1000 4.59,1001 7.888,1002 1.683,1003 9.685,1004 4.456,1005 6.6,1006 7.412,1007 4.221,1008 11.679,1009 6.523,1010 9.256,1011 1.534,1012 11.506,1013 4.311,1014 7.209,1015 8.089,1016 4.414,1017 13.912,1018 7.146,1019 10.664,1020 1.428,1021 13.382,1022 4.2,1023 8.671,1024 9.845,1025 5.698,1026 16.676,1027 8.588,1028 12.097,1029 1.292,1030 15.299,1031 3.596,1032 9.658,1033 10.878,1034 6.312,1035 19.218,1036 9.59,1037 13.552,1038 1.192,1039 17.247,1040 2.924,1041 10.959,1042 12.44,1043 7.391,1044 21.908,1045 10.882,1046 3.601,1047 1.027,1048 19.218,1049 2.716,1050 12.104,1051 13.644,1052 8.176,1053 24.547,1054 12.035,1055 3.353,1056 14.984,1057 21.207,1058 2.372,1059 13.36,1060 15.118,1061 9.166,1062 27.229,1063 13.288,1064 2.909,1065 12.416,1066 23.211,1067 4.124,1068 14.569,1069 16.408,1070 10.021,1071 29.903,1072 14.501,1073 2.676,1074 9.253,1075 25.227,1076 3.973,1077 15.818,1078 17.841,1079 10.97,1080 32.59,1081 15.749,1082 2.456,1083 9.052,1084 27.251,1085 3.851,1086 17.054,1087 19.176,1088 11.856,1089 35.277,1090 16.987,1091 2.327,1092 7.405,1093 29.283,1094 3.485,1095 18.306,1096 20.588,1097 12.787,1098 37.97,1099 18.238,1100 2.188,1101 6.945,1102 31.322,1103 3.043,1104 19.555,1105 21.949,1106 13.687,1107 40.664,1108 19.488,1109 31421,1110 50742,1111 30.917,1112 53.455,1113 71.228,1114 73.593,1115 74.614,1116 70.501,1117 70.501,1118 85.475,1119 20.405,1120 209.158,1121 68.725,1122 5.706,1123 6.203,1124 7.746,1125 5.642,1126 5.601,1127 7.124,1128 4.241,1129 22.802,1130 5.591,1131 24.151,1132 1.515,1133 1.566,1134 1.588,1135 1.5,1136 1.5,1137 1.819,1138 0.434,1139 4.45,1140 1.462,1141 4.064,1142 4.09,1143 4.016,1144 3.976,1145 7.439,1146 3.981,1147 3.993,1148 4.021,1149 3.931,1150 3.917,1151 7.431,1152 3.916,1153 3.839,1154 3.859,1155 3.793,1156 3.709,1157 7.428,1158 3.724,1159 3.766,1160 3.82,1161 3.659,1162 3.634,1163 5.009,1164 3.632,1165 3.627,1166 3.679,1167 3.531,1168 3.452,1169 4.89,1170 3.457,1171 3.527,1172 3.579,1173 3.426,1174 3.322,1175 4.754,1176 3.334,1177 3.449,1178 3.504,1179 3.301,1180 3.271,1181 4.58,1182 3.264,1183 3.306,1184 3.354,1185 3.194,1186 3.068,1187 4.465,1188 3.092,1189 0.1,1190 0.089,1191 0.169,1192 0.098,1193 0.077,1194 4.706,1195 0.088,1196 4.203,1197 0.053,1198 7.944,1199 0.319,1200 4.599,1201 0.076,1202 3.601,1203 4.124,1204 2.491,1205 14.984,1206 3.591,1207 1.98,1208 1.958,1209 2.109,1210 2.092,1211 1.452,1212 2.098,1213 1.976,1214 1.95,1215 2.06,1216 2.074,1217 1.306,1218 2.071,1219 1.762,1220 1.726,1221 1.951,1222 1.919,1223 1.2,1224 1.933,1225 1.74,1226 1.698,1227 1.862,1228 1.866,1229 1.015,1230 1.865,1231 1.593,1232 1.536,1233 1.828,1234 1.797,1235 0.974,1236 1.805,1237 1.478,1238 1.416,1239 1.794,1240 1.734,1241 0.937,1242 1.75,1243 1.425,1244 1.374,1245 1.673,1246 1.628,1247 0.825,1248 1.634,1249 1.198,1250 1.136,1251 1.513,1252 1.52,1253 0.774,1254 1.49,1255 4.554,1257 5.894,1258 2.398,1259 7.444,1260 4.595,1261 9.097,1262 6.581,1263 10.81,1265 5.447,1269 5.82,1271 5.318,1272 6.228,1273 16.502,1275 -0.649,1276 2.325,1277 -0.631,1280 50.857,1281 126.276,1282 304.258,1283 411.089,1284 451.844,1285 466.864,1286 468.864,1287 114.974,1288 8.557,1289 132.22,1290 132.22,1291 29,1292 13.179,1293 4.17,1294 3.585,1295 71.719,1296 249,1297 220,1298 0.138,1299 309.304,1300 563.56,1301 746.462,1302 76164,1304 30.562,1305 0.711,1306 0.582,1307 30.562,1308 25.034,1309 20.746,1310 0.441,1311 0.316,1312 14.64,1313 19.861,1314 14.243,1315 11.764,1316 20.746,1317 14.861,1318 18.653,1319 0.278,1320 0.168,1321 18.653,1322 11.232,1323 15.927,1324 0.171,1325 0.093,1326 15.927,1327 8.639,1328 13.972,1329 0.112,1330 0.052,1331 13.972,1332 6.443,1333 10.698,1334 0.069,1335 0.029,1336 10.698,1337 4.511,1338 0.223,1339 130.697,1340 0.18,1341 38.257,1342 0.363,1343 228,1344 674.036,1345 252.486,1346 634.151,1347 858.08,1348 594,1349 274,1350 619.174,1351 297.716,1352 622.618,1353 920.21,1354 585,1355 5.34} {0 CHEMBL149488,1 1.449,2 17.083,3 2.936,4 8.618,5 146.034,6 6.841,7 0.525,8 4.348,9 4.491,10 3.854,11 3.856,12 5.358,13 3.823,14 4.915,15 5.122,16 4.191,17 4.275,18 5.841,19 4.213,20 5.178,21 5.411,22 4.174,23 4.448,24 6.015,25 4.331,26 5.314,27 5.585,28 4.125,29 4.497,30 6.07,31 4.339,32 5.33,33 5.619,34 4.055,35 4.448,36 6.069,37 4.273,38 5.246,39 5.542,40 3.993,41 4.351,42 5.967,43 4.189,44 5.111,45 5.383,46 3.958,47 4.275,48 5.856,49 4.123,50 5.115,51 5.403,52 3.831,53 4.203,54 5.859,55 4.041,56 0.084,57 1.111,58 16.274,59 6.141,60 12.916,61 9.016,62 0.338,63 1.781,64 30.347,65 10.156,66 28.721,67 15.418,68 0.353,69 2.124,70 40.083,71 14.048,72 40.066,73 21.002,74 0.353,75 2.278,76 46.509,77 16.952,78 41.216,79 25.467,80 0.361,81 2.208,82 47.896,83 17.353,84 49.24,85 26.103,86 0.447,87 2.044,88 44.487,89 14.991,90 43.908,91 22.991,92 0.295,93 1.88,94 37.986,95 13.45,96 31.249,97 20.478,98 0.465,99 1.811,100 39.096,101 12.348,102 42.193,103 19.321,104 12,105 55,106 0.225,107 0.565,108 0.773,109 0.825,110 0.843,111 0.843,112 3.615,113 0.959,114 -4.84,115 -4.75,116 -4.46,119 39.4,120 1,121 4,124 1,125 4,127 1,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 9,171 2,172 9,174 1,176 6,178 10,182 5,186 5,189 7,192 1,193 10,197 2,199 9,203 8,206 1,211 10,215 7,218 2,222 8,226 6,229 2,233 2,236 2,237 7,242 4,244 3,249 1,256 5,259 2640,260 24.601,261 24.601,262 24.601,263 24.601,264 24.601,265 21.983,266 35.126,267 14.626,268 25.064,269 19.78,270 19.78,271 19.78,272 19.78,273 19.78,274 15.869,275 47.929,276 6.987,277 20.532,278 4.701,279 2.513,280 1.179,281 0.842,282 0.725,283 0.725,284 4.322,289 1,290 1356,291 3.937,294 204.662,295 386.191,298 176.049,302 2.806,303 18.889,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 76.5,315 615,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.197,327 6.095,328 3.816,329 2.864,330 3.731,331 0.916,332 8.884,333 2.733,334 4.08,335 3.139,336 6.06,337 3.689,338 2.752,339 3.653,340 0.8,341 8.733,342 2.584,343 3.828,344 2.886,345 5.526,346 3.631,347 2.657,348 2.956,349 0.172,350 7.486,351 2.574,352 3.608,353 2.817,354 5.328,355 3.373,356 2.432,357 2.813,358 0.149,359 6.925,360 2.309,361 3.445,362 2.626,363 5.177,364 3.21,365 2.234,366 2.749,368 6.464,369 2.153,370 3.369,371 2.288,372 5.125,373 3.01,374 2.031,375 2.593,377 6,378 1.982,379 3.249,380 2.182,381 4.514,382 2.855,383 1.837,384 2.463,386 4.655,387 1.856,388 3.22,389 1.795,390 4.406,391 2.73,392 1.776,393 2.33,395 4.525,396 1.691,397 2.744,398 1.525,399 4.136,400 2.366,401 1.39,402 1.849,404 3.528,405 1.355,406 2.5,407 1.344,408 4.055,409 2.231,410 1.266,411 1.5,413 3.384,414 1.219,415 2.458,416 1.134,417 3.457,418 2.038,419 1.078,420 1.45,422 2.469,423 1.032,424 2.372,425 1.077,426 3.414,427 2,428 1,429 1.34,431 2.275,432 1,433 2.205,434 1,435 3.414,436 1.984,437 1,438 1.143,440 2.275,441 0.983,442 2.118,443 0.924,444 3.313,445 1.852,446 0.886,447 1,449 2.085,450 0.854,451 17.133,452 0.476,453 0.797,454 0.022,455 44,456 1.222,457 20,458 0.556,459 24,460 0.667,461 34.524,462 0.959,463 39.267,464 0.553,465 32.286,466 0.897,467 8.561,468 0.238,469 8.985,470 0.25,471 0.078,473 0.304,479 0.815,480 1.474,481 0.863,482 1.179,483 0.568,484 1.047,485 0.99,486 1.077,487 0.961,488 0.956,489 0.532,490 0.945,491 1.132,492 1.087,493 1.139,494 1.097,495 1.006,496 1.116,497 0.671,498 1.013,499 0.995,500 1.095,501 0.459,502 1.083,503 0.64,504 1.003,505 0.902,506 1.054,507 0.69,508 1.02,509 0.799,510 0.849,511 0.906,512 0.889,513 0.677,514 0.905,515 0.611,516 1.131,517 0.964,518 1.139,519 0.445,520 1.098,521 0.997,522 0.938,523 1.076,524 0.974,525 0.86,526 1.02,527 7,528 0.178,529 3.778,530 1.632,531 1.588,532 1.083,533 0.646,534 0.367,535 0.282,536 0.218,537 25056,538 59241,539 2.137,540 49.3,541 2,542 19,543 1,544 2,545 2,546 3,547 2,548 4,550 1.766,551 2.038,552 4.02,553 0.148,559 102.85,560 1.449,561 3.637,562 4.971,563 5.308,564 5.424,565 5.424,566 3.52,567 4.725,568 5.14,569 4.251,570 2677.96,571 8.986,572 47284.6,577 436.632,578 1.256,579 5.118,580 0.175,581 0.006,582 0.069,583 0.031,584 0.033,585 0.025,586 0.015,587 0.009,588 0.008,589 0.007,590 0.378,591 0.17,592 0.75,593 0.73,594 203.676,595 0.055,596 -0.207,597 0.076,598 -0.076,599 0.05,600 -0.012,601 0.017,602 0.086,603 0.014,604 0.061,605 0.117,606 0.043,607 -0.181,608 -0.03,609 -0.171,610 -0.07,611 -0.095,612 -0.112,613 0.006,614 -0.047,615 -0.042,616 -0.071,617 0.069,618 -0.062,619 0.069,620 -0.098,621 0.058,622 -0.039,623 0.053,625 0.018,626 0.076,627 0.073,628 0.089,629 0.004,630 0.087,631 0.082,632 -0.158,633 -0.006,634 -0.128,635 0.031,636 -0.087,637 -0.045,638 0.022,639 -0.084,640 -0.02,641 -0.083,642 -0.05,643 1.703,644 4.21,645 0.722,646 49.315,647 0.992,648 1.134,649 3.607,650 13.013,651 0.65,652 3.714,653 4.025,654 4.277,655 4.522,656 4.691,657 4.779,658 4.92,659 5.017,660 5.063,661 5.112,662 9.954,663 0.609,664 485.7,665 3.714,666 5.252,667 6.094,668 6.959,669 7.815,670 8.684,671 9.546,672 10.417,673 11.284,674 12.157,675 9.9,678 2,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 71,716 22,717 2,718 40,720 75,721 28,722 16,723 5,724 7,730 5,731 6,736 1,740 3,743 5,745 17,746 11,750 1,755 1,759 1,764 35,765 6,766 2,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,815 2,819 4,823 2,827 36,833 8,834 1,837 1,838 2,844 1,847 1.4,850 1,854 17.667,855 13.083,856 7.861,857 4.377,858 3.715,859 1.439,860 0.997,861 7.808,862 12.187,863 3.961,864 4.533,865 5.083,866 5.665,867 6.109,868 6.446,869 6.881,870 7.276,871 7.436,872 7.645,873 1,874 52,875 13.295,877 5.556,878 7.528,879 26.224,881 21.852,883 2.028,884 73,888 388.446,889 149.707,890 76.27,892 25.145,895 149.707,896 413.591,897 76.27,898 17.222,899 36.572,900 75.381,901 103.955,902 39.391,903 13.915,904 353.133,906 388.446,907 225.977,908 25.145,911 317.82,912 95.772,915 87.567,916 105.084,917 33.326,919 388.446,920 101.415,921 149.707,924 388.446,925 39.867,926 117.988,927 34.796,928 58.471,929 388.446,930 101.415,931 149.707,933 0.579,934 0.328,935 0.176,936 0.09,937 26,938 11,939 0.12,940 9,941 1,942 1.077,943 4.943,944 327.543,945 0.077,946 26,947 174.117,951 24.696,952 11.381,953 6.24,954 2.46,955 82.73,956 20.252,957 7.845,958 3.42,961 4.591,962 1.943,963 34.796,964 639.569,965 51.5,970 11.21,974 -0.036,975 70.41,976 80.51,977 0.236,978 0.591,979 0.808,980 0.863,981 0.882,982 0.882,983 5.194,984 1.837,985 6.061,986 6,987 4.71,988 5.22,989 2.253,990 6.832,991 4.639,992 6.375,993 1.776,994 7.592,995 4.655,996 4.205,997 4.934,998 1.738,999 7.636,1000 4.098,1001 7.662,1002 1.39,1003 9.219,1004 4.525,1005 6.267,1006 7.373,1007 2.979,1008 10.704,1009 6.124,1010 8.982,1011 1.266,1012 10.904,1013 3.528,1014 6.594,1015 7.982,1016 3.069,1017 12.355,1018 6.411,1019 10.337,1020 1.078,1021 12.626,1022 3.384,1023 8.09,1024 9.861,1025 4.054,1026 14.917,1027 7.88,1028 11.715,1029 1,1030 14.375,1031 2.469,1032 8.805,1033 10.91,1034 4.417,1035 16.929,1036 8.558,1037 13.112,1038 1,1039 16.144,1040 2.275,1041 10.065,1042 12.56,1043 5.254,1044 19.32,1045 9.796,1046 3.118,1047 0.886,1048 17.927,1049 2.275,1050 10.972,1051 13.835,1052 5.751,1053 21.497,1054 10.674,1055 2.864,1056 10.431,1057 19.723,1058 2.085,1059 12.133,1060 15.388,1061 6.502,1062 23.831,1063 11.814,1064 2.752,1065 8.884,1066 21.528,1067 4.518,1068 13.136,1069 16.777,1070 7.069,1071 26.085,1072 12.794,1073 2.657,1074 8.733,1075 23.342,1076 3.731,1077 14.257,1078 18.292,1079 7.771,1080 28.405,1081 13.896,1082 2.432,1083 7.486,1084 25.162,1085 3.653,1086 15.31,1087 19.737,1088 8.375,1089 30.696,1090 14.93,1091 2.234,1092 6.925,1093 26.989,1094 2.956,1095 16.417,1096 21.239,1097 9.051,1098 33.016,1099 16.021,1100 2.031,1101 6.464,1102 28.82,1103 2.813,1104 17.496,1105 22.712,1106 9.674,1107 35.327,1108 17.085,1109 23210,1110 35877,1111 27.334,1112 46.154,1113 60.196,1114 59.941,1115 60.19,1116 59.389,1117 59.425,1118 76.052,1119 7.89,1120 166.733,1121 57.368,1122 5.568,1123 5.533,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.096,1130 5.062,1131 15.012,1132 1.505,1133 1.499,1134 1.505,1135 1.485,1136 1.486,1137 1.901,1138 0.197,1139 4.168,1140 1.434,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 7.43,1146 4.07,1147 3.968,1148 4.015,1149 3.895,1150 3.877,1151 5.135,1152 3.876,1153 3.857,1154 3.918,1155 3.79,1156 3.71,1157 4.927,1158 3.71,1159 3.823,1160 3.894,1161 3.742,1162 3.586,1163 4.751,1164 3.624,1165 3.585,1166 3.655,1167 3.472,1168 3.403,1169 4.383,1170 3.405,1171 3.515,1172 3.568,1173 3.391,1174 3.311,1175 4.258,1176 3.329,1177 3.371,1178 3.448,1179 3.244,1180 3.175,1181 4.132,1182 3.182,1183 3.253,1184 3.328,1185 3.11,1186 3.076,1187 3.952,1188 3.073,1189 0.114,1190 0.088,1191 0.164,1192 0.102,1193 0.078,1194 4.568,1195 0.113,1196 3.533,1197 0.048,1198 6.566,1199 0.261,1200 4.099,1201 0.077,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.084,1210 2.074,1211 1.44,1212 2.082,1213 1.932,1214 1.898,1215 2.041,1216 2.049,1217 1.282,1218 2.047,1219 1.837,1220 1.779,1221 2.006,1222 1.993,1223 1.167,1224 2,1225 1.667,1226 1.611,1227 1.876,1228 1.84,1229 1.113,1230 1.855,1231 1.478,1232 1.419,1233 1.721,1234 1.731,1235 0.839,1236 1.727,1237 1.414,1238 1.343,1239 1.657,1240 1.669,1241 0.825,1242 1.658,1243 1.37,1244 1.3,1245 1.572,1246 1.61,1247 0.734,1248 1.611,1249 1.265,1250 1.187,1251 1.513,1252 1.479,1253 0.695,1254 1.497,1255 4.394,1257 5.707,1258 3.045,1259 7.197,1260 5.283,1261 8.767,1262 7.286,1263 10.383,1265 3.764,1271 9.016,1272 2.831,1275 0.612,1276 5.091,1280 43.24,1281 102.85,1282 258.21,1283 352.941,1284 376.858,1285 385.122,1286 385.122,1287 51.986,1288 8.472,1289 82.08,1290 82.08,1291 28,1292 12.699,1293 4.524,1294 3.644,1295 55.062,1296 219,1297 210,1298 0.119,1299 264.671,1300 446.95,1301 637.558,1302 74326,1304 24.907,1305 0.692,1306 0.588,1307 24.907,1308 21.152,1309 17.547,1310 0.439,1311 0.32,1312 12.621,1313 16.88,1314 12.278,1315 10.196,1316 17.547,1317 12.791,1318 15.82,1319 0.288,1320 0.18,1321 15.82,1322 9.883,1323 13.029,1324 0.184,1325 0.102,1326 13.029,1327 7.275,1328 10.898,1329 0.12,1330 0.058,1331 10.898,1332 5.259,1333 8.277,1334 0.077,1335 0.033,1336 8.277,1337 3.594,1338 0.198,1339 109.568,1340 0.191,1341 34.189,1342 0.299,1343 190,1344 472.627,1345 205.453,1346 465.618,1347 645.92,1348 438,1349 221,1350 485.366,1351 237.122,1352 495.413,1353 712.66,1354 464,1355 7.721} {0 CHEMBL150696,1 1.556,2 15.93,3 1.802,4 3.248,5 168.644,6 7.094,7 0.261,8 4.492,9 4.624,10 3.999,11 3.991,12 5.61,13 3.963,14 5.05,15 5.242,16 4.372,17 4.417,18 6.177,19 4.366,20 5.349,21 5.545,22 4.55,23 4.664,24 6.389,25 4.595,26 5.586,27 5.803,28 4.644,29 4.771,30 6.71,31 4.69,32 5.663,33 5.894,34 4.605,35 4.808,36 6.742,37 4.705,38 5.698,39 5.965,40 4.496,41 4.759,42 6.736,43 4.617,44 5.636,45 5.929,46 4.251,47 4.596,48 6.567,49 4.443,50 5.388,51 5.661,52 4.211,53 4.41,54 6.361,55 4.281,56 0.157,57 1.226,58 18.084,59 7.388,60 17.614,61 10.318,62 0.491,63 1.947,64 33.992,65 12.487,66 75.509,67 17.979,68 0.345,69 2.518,70 46.028,71 17.272,72 67.542,73 24.435,74 0.873,75 2.918,76 61.45,77 20.949,78 151.116,79 29.578,80 0.883,81 3.107,82 66.904,83 22.154,84 156.41,85 32.06,86 0.95,87 3.101,88 70.545,89 22.871,90 174.052,91 34.707,92 1.042,93 2.733,94 68.958,95 19.838,96 170.23,97 30.722,98 0.731,99 2.19,100 52.507,101 16.854,102 104.106,103 25.096,104 111,105 66,106 0.235,107 0.553,108 0.717,109 0.788,110 0.814,111 0.818,112 3.787,113 0.943,114 -3.54,115 -3.52,116 -3.36,119 38.6,120 2,121 3,122 1,123 1,124 2,125 4,135 2,137 2,140 9,141 2,142 1,156 3,161 1,162 1,163 1,164 2,169 16,171 2,172 9,173 1,174 2,176 7,178 22,180 1,182 15,186 3,189 19,191 1,193 17,195 3,196 2,197 7,198 1,199 17,201 3,202 2,203 13,208 6,211 8,213 2,214 2,215 15,217 1,218 2,219 1,220 11,221 1,222 8,224 3,226 8,231 1,233 4,236 2,237 8,239 1,240 4,242 2,244 7,246 1,248 4,249 7,251 2,252 8,254 2,256 4,259 3899,260 28.172,261 28.172,262 28.172,263 28.172,264 28.172,265 25.454,266 42.878,267 16.289,268 28.523,269 22.555,270 22.555,271 22.555,272 22.555,273 22.555,274 18.428,275 56.218,276 7.534,277 23.022,278 4.819,279 2.71,280 1.621,281 1.148,282 0.976,283 0.952,284 4.472,290 1444,291 5.148,295 659.091,302 2.128,303 59.725,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.5,312 0.5,313 0.61,314 94,315 685,316 4.727,317 4.196,318 7.975,319 4.623,320 3.622,321 4.11,322 2.612,323 15.129,324 3.622,325 4.641,326 3.888,327 7.131,328 4.344,329 3.348,330 3.99,331 2.015,332 12.406,333 3.333,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.36,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 1.058,350 8.257,351 2.681,352 3.767,353 3.136,354 5.783,355 3.397,356 2.469,357 3.208,358 0.98,359 7.456,360 2.325,361 3.703,362 3.089,363 5.702,364 3.353,365 2.373,366 3.101,367 0.8,368 7.015,369 2.307,370 3.5,371 2.767,372 5.354,373 3.339,374 2.369,375 2.529,376 0.759,377 6.913,378 2.278,379 3.349,380 2.744,381 5.011,382 3.041,383 2.058,384 2.441,385 0.625,386 5.614,387 2.008,388 3.183,389 2.372,390 4.937,391 2.918,392 1.945,393 2.283,394 0.359,395 5.164,396 1.884,397 3.095,398 2.154,399 4.615,400 2.687,401 1.704,402 2.152,403 0.111,404 4.443,405 1.667,406 3.014,407 2.055,408 4.366,409 2.481,410 1.481,411 2.111,413 3.712,414 1.474,415 2.645,416 1.924,417 3.802,418 2.351,419 1.352,420 1.686,422 2.971,423 1.346,424 2.51,425 1.701,426 3.78,427 2.215,428 1.221,429 1.5,431 2.799,432 1.211,433 2.5,434 1.632,435 3.757,436 2.051,437 1.05,438 1.5,440 2.646,441 1.048,442 2.5,443 1.264,444 3.677,445 2,446 1,447 1.486,449 2.372,450 1,451 20.067,452 0.467,453 1.301,454 0.03,455 49.75,456 1.157,457 22.5,458 0.523,459 27.25,460 0.634,461 48.966,462 1.139,463 48.333,464 0.582,465 48.881,466 1.137,467 9.964,468 0.232,469 10.493,470 0.244,471 0.203,472 0.025,473 0.334,479 0.577,480 1.35,481 0.833,482 1.135,483 0.548,484 1.038,485 0.585,486 1.03,487 0.814,488 0.939,489 0.409,490 0.907,491 0.811,492 1.179,493 0.96,494 1.153,495 0.696,496 1.085,497 1.077,498 1.047,499 1.025,500 1.063,501 1.106,502 1.045,503 1.073,504 1.119,505 1.1,506 1.111,507 1.065,508 1.113,509 0.68,510 1.12,511 0.969,512 1.118,513 0.618,514 1.097,515 1.048,516 0.873,517 1.029,518 0.876,519 0.973,520 0.93,521 0.777,522 0.975,523 0.875,524 1.021,525 0.864,526 0.978,527 9.5,528 0.305,529 6.222,530 4.313,531 3.4,532 2.458,533 1.213,534 0.825,535 0.666,536 0.329,537 31790,538 88117,539 1.974,540 48.2,541 1,542 23,545 4,547 10,548 2,550 1.815,551 1.798,552 3.822,553 1.395,559 129.132,560 1.556,561 3.665,562 4.754,563 5.227,564 5.399,565 5.423,566 3.298,567 4.88,568 5.402,569 4.119,570 3719.26,571 9.546,572 70121.3,577 529.128,578 1.669,579 5.322,580 0.207,581 0.008,582 0.094,583 0.056,584 0.042,585 0.032,586 0.019,587 0.016,588 0.014,589 0.007,590 0.494,591 0.17,592 0.75,593 1.01,594 250.14,595 0.072,596 -0.049,597 0.039,598 0.015,599 -0.023,600 0.017,601 0.13,602 0.142,603 0.102,604 0.135,605 0.168,606 0.122,607 -0.062,608 -0.056,609 -0.04,610 -0.071,611 -0.009,612 -0.049,613 -0.054,614 -0.016,615 -0.05,616 -0.039,617 -0.049,618 -0.047,619 -0.108,620 -0.104,621 -0.126,622 -0.101,623 -0.088,624 -0.117,625 0.088,626 -0.157,627 -0.002,628 -0.133,629 0.088,630 -0.092,631 -0.116,632 0.038,633 -0.02,634 0.047,635 -0.098,636 0.038,637 0.103,638 -0.051,639 0.114,640 -0.051,641 -0.007,642 0.017,643 2.499,644 6.526,645 0.558,646 53.791,647 1.003,648 1.134,649 2.314,650 5.354,651 0.642,652 3.85,653 4.205,654 4.5,655 4.762,656 4.984,657 5.063,658 5.112,659 5.153,660 5.118,661 4.956,662 9.486,663 0.61,664 588.78,665 3.85,666 5.416,667 6.282,668 7.183,669 8.074,670 8.983,671 9.884,672 10.797,673 11.702,674 12.616,675 7.2,677 1,678 1,682 3,686 1,688 9,693 3,695 12,708 1,714 83,716 19,717 2,718 46,720 86,721 32,722 12,723 3,724 9,725 6,730 4,731 4,736 2,737 1,739 1,740 2,741 1,743 3,745 19,746 13,747 1,750 7,752 1,755 5,759 7,764 40,765 10,766 4,767 11,773 6,777 1,778 5,793 4,804 1,805 1,806 1,810 2,811 2,814 1,815 1,819 4,823 4,827 43,828 1,833 7,834 2,837 1,838 2,839 1,847 6,850 3,853 2,854 23.917,855 15.85,856 9.5,857 4.929,858 2.626,859 1.318,860 0.945,861 10.307,862 10.879,863 4.094,864 4.644,865 5.13,866 5.597,867 6.051,868 6.262,869 6.542,870 6.823,871 7.013,872 6.747,873 1,874 77,875 16.081,877 6.975,878 7.959,879 30.19,881 24.921,883 2.459,884 105.75,888 423.76,889 170.882,890 80.837,892 126.182,895 170.882,896 549.941,897 80.837,898 40.113,899 70.059,900 103.297,901 95.062,902 18.623,904 423.76,905 50.747,906 423.76,907 251.72,908 126.182,911 282.506,912 216.688,913 50.747,915 108.844,916 131.692,917 11.184,919 423.76,920 207.019,921 170.882,924 423.76,925 51.153,926 131.648,927 36.022,928 159.079,929 423.76,930 207.019,931 170.882,933 0.59,934 0.354,935 0.193,936 0.106,937 29,938 16,939 0.116,940 10,942 1,943 4.913,944 437.795,946 24,947 217.329,951 32.243,952 13.745,953 6.946,955 201.349,956 15.799,961 1.523,963 68.919,964 801.661,965 59,967 -0.499,970 61.639,974 0.829,975 83.269,976 94.095,977 0.244,978 0.575,979 0.746,980 0.82,981 0.847,982 0.851,983 5.371,984 2.058,985 6.312,986 6.913,987 4.89,988 5.333,989 3.371,990 7.213,991 4.857,992 6.59,993 1.945,994 7.941,995 5.614,996 4.691,997 5.255,998 2.843,999 8.544,1000 4.652,1001 7.924,1002 1.704,1003 9.689,1004 5.164,1005 6.592,1006 7.459,1007 4.559,1008 11.681,1009 6.537,1010 9.295,1011 1.481,1012 11.514,1013 4.443,1014 7.231,1015 8.167,1016 4.789,1017 13.925,1018 7.186,1019 10.702,1020 1.352,1021 13.393,1022 3.712,1023 8.667,1024 9.899,1025 6.161,1026 16.702,1027 8.612,1028 12.135,1029 1.221,1030 15.312,1031 2.971,1032 9.666,1033 10.947,1034 6.719,1035 19.256,1036 9.624,1037 13.588,1038 1.05,1039 17.261,1040 2.799,1041 10.96,1042 12.496,1043 7.917,1044 21.96,1045 10.915,1046 3.622,1047 1,1048 19.235,1049 2.646,1050 12.113,1051 13.706,1052 8.644,1053 24.612,1054 12.076,1055 3.348,1056 15.129,1057 21.228,1058 2.372,1059 13.37,1060 15.173,1061 9.742,1062 27.307,1063 13.334,1064 2.763,1065 12.406,1066 23.235,1067 4.11,1068 14.586,1069 16.464,1070 10.566,1071 29.993,1072 14.555,1073 2.676,1074 9.057,1075 25.255,1076 3.99,1077 15.84,1078 17.893,1079 11.607,1080 32.692,1081 15.811,1082 2.469,1083 8.257,1084 27.284,1085 3.91,1086 17.085,1087 19.228,1088 12.486,1089 35.39,1090 17.058,1091 2.373,1092 7.456,1093 29.321,1094 3.485,1095 18.343,1096 20.638,1097 13.493,1098 38.094,1099 18.317,1100 2.369,1101 7.015,1102 31.365,1103 3.208,1104 19.601,1105 21.998,1106 14.406,1107 40.799,1108 19.576,1109 30855,1110 51687,1111 29.244,1112 53.25,1113 70.305,1114 73.146,1115 74.178,1116 69.406,1117 69.31,1118 86.476,1119 21.356,1120 206.408,1121 68.153,1122 5.727,1123 6.196,1124 7.777,1125 5.663,1126 5.622,1127 7.11,1128 4.612,1129 23.236,1130 5.622,1131 29.232,1132 1.528,1133 1.59,1134 1.613,1135 1.509,1136 1.507,1137 1.88,1138 0.464,1139 4.487,1140 1.482,1141 4.073,1142 4.104,1143 4.025,1144 3.981,1145 7.815,1146 3.985,1147 4,1148 4.033,1149 3.937,1150 3.921,1151 7.438,1152 3.92,1153 3.871,1154 3.902,1155 3.836,1156 3.718,1157 7.429,1158 3.733,1159 3.767,1160 3.823,1161 3.662,1162 3.637,1163 7.425,1164 3.636,1165 3.644,1166 3.706,1167 3.544,1168 3.46,1169 6.999,1170 3.467,1171 3.548,1172 3.62,1173 3.454,1174 3.331,1175 4.896,1176 3.348,1177 3.467,1178 3.503,1179 3.429,1180 3.256,1181 4.756,1182 3.259,1183 3.44,1184 3.489,1185 3.303,1186 3.085,1187 4.708,1188 3.156,1189 0.103,1190 0.091,1191 0.173,1192 0.1,1193 0.079,1194 4.727,1195 0.089,1196 4.196,1197 0.057,1198 7.975,1199 0.329,1200 4.623,1201 0.079,1202 3.622,1203 4.11,1204 2.612,1205 15.129,1206 3.622,1207 1.997,1208 1.974,1209 2.112,1210 2.117,1211 1.457,1212 2.105,1213 1.982,1214 1.953,1215 2.083,1216 2.096,1217 1.309,1218 2.097,1219 1.796,1220 1.765,1221 1.953,1222 1.991,1223 1.201,1224 1.957,1225 1.755,1226 1.702,1227 1.904,1228 1.913,1229 1.016,1230 1.924,1231 1.605,1232 1.544,1233 1.836,1234 1.822,1235 0.999,1236 1.826,1237 1.481,1238 1.412,1239 1.763,1240 1.75,1241 0.839,1242 1.756,1243 1.418,1244 1.356,1245 1.672,1246 1.634,1247 0.825,1248 1.632,1249 1.238,1250 1.193,1251 1.513,1252 1.624,1253 0.773,1254 1.55,1255 4.533,1257 5.878,1259 7.428,1261 9.079,1263 10.789,1265 7.081,1269 5.738,1271 4.845,1272 6.095,1275 -0.762,1276 3.999,1277 -0.538,1280 50.658,1281 129.132,1282 304.178,1283 394.56,1284 433.844,1285 448.109,1286 450.109,1287 147.411,1288 8.253,1289 153.59,1290 153.59,1291 24,1292 13.13,1293 4.322,1294 3.807,1295 82.445,1296 251,1297 212,1298 0.158,1299 313.77,1300 569.19,1301 757.359,1302 51114,1304 31.311,1305 0.728,1306 0.586,1307 31.311,1308 25.183,1309 20.457,1310 0.445,1311 0.314,1312 14.264,1313 19.61,1314 13.793,1315 11.481,1316 20.457,1317 14.465,1318 18.891,1319 0.286,1320 0.173,1321 18.891,1322 11.447,1323 15.56,1324 0.175,1325 0.095,1326 15.56,1327 8.496,1328 12.955,1329 0.112,1330 0.054,1331 12.955,1332 6.313,1333 10.079,1334 0.07,1335 0.031,1336 10.079,1337 4.449,1338 0.255,1339 128.88,1340 0.185,1341 38.281,1342 0.415,1343 224,1344 669.591,1345 245.451,1346 644.984,1347 854.01,1348 594,1349 267,1350 613.288,1351 288.457,1352 619.931,1353 898.99,1354 578,1355 4.73} {0 CHEMBL150743,1 1.577,2 12.281,3 1.384,4 1.916,5 126.192,6 7.009,7 0.176,8 4.219,9 4.357,10 3.712,11 3.697,12 5.324,13 3.67,14 4.782,15 4.977,16 4.061,17 4.112,18 5.932,19 4.053,20 5.078,21 5.303,22 4.177,23 4.315,24 6.062,25 4.235,26 5.223,27 5.457,28 4.253,29 4.372,30 6.332,31 4.286,32 5.247,33 5.483,34 4.206,35 4.358,36 6.36,37 4.269,38 5.226,39 5.476,40 4.164,41 4.301,42 6.397,43 4.197,44 5.214,45 5.48,46 3.956,47 4.196,48 6.252,49 4.079,50 5.057,51 5.331,52 3.957,53 4.044,54 6.095,55 3.945,56 0.158,57 0.934,58 14.101,59 5.512,60 14.877,61 7.9,62 0.372,63 1.462,64 26.294,65 9.426,66 65.073,67 13.92,68 0.371,69 1.827,70 36.338,71 12.285,72 58.544,73 18.345,74 0.647,75 1.959,76 43.198,77 14.16,78 94.977,79 20.771,80 0.611,81 1.959,82 44.672,83 13.758,84 111.573,85 20.587,86 0.745,87 1.907,88 43.925,89 13.211,90 130.812,91 20.438,92 0.736,93 1.755,94 44.588,95 12.089,96 123.631,97 18.988,98 0.635,99 1.49,100 38.039,101 11.169,102 79.631,103 17.034,104 54,105 47,106 0.254,107 0.564,108 0.722,109 0.796,110 0.816,111 0.821,112 3.502,113 0.973,114 -3.1,115 -3.1,116 -2.98,119 36.5,120 2,121 4,122 1,125 4,135 2,137 2,140 4,141 1,142 1,156 2,161 1,162 1,163 1,164 2,169 9,171 1,172 7,173 1,174 2,176 7,178 12,180 1,182 9,186 3,189 10,191 1,193 12,195 3,196 2,197 7,198 1,199 12,201 3,203 7,208 6,211 6,213 2,214 2,215 11,217 1,218 2,219 1,220 11,221 1,222 7,224 3,226 5,231 1,233 2,236 2,237 8,239 1,240 4,242 1,244 5,246 1,248 4,249 7,251 2,252 6,256 3,259 2038,260 21.087,261 21.087,262 21.087,263 21.087,264 21.087,265 19.174,266 33.283,267 12.491,268 21.348,269 16.736,270 16.736,271 16.736,272 16.736,273 16.736,274 13.832,275 41.048,276 5.862,277 17.112,278 4.401,279 2.477,280 1.496,281 1.032,282 0.913,283 0.881,284 4.179,288 1,289 1,290 820,291 4.123,295 344.065,302 1.799,303 45.413,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 70.5,315 393,316 4.641,317 3.888,318 7.131,319 4.344,320 3.348,321 4.11,322 2.612,323 12.406,324 3.333,325 4.242,326 3.777,327 6.268,328 3.737,329 2.763,330 3.91,331 1.36,332 9.057,333 2.694,334 4.091,335 3.529,336 5.942,337 3.682,338 2.676,339 3.485,340 1.058,341 8.257,342 2.681,343 3.767,344 3.136,345 5.702,346 3.45,347 2.521,348 3.208,349 0.98,350 7.456,351 2.343,352 3.523,353 2.83,354 5.34,355 3.353,356 2.373,357 2.525,358 0.8,359 6.965,360 2.323,361 3.348,362 2.744,363 5.011,364 3.041,365 2.058,366 2.439,367 0.759,368 5.614,369 2.008,370 3.097,371 2.372,372 4.615,373 2.707,374 1.724,375 2.153,376 0.359,377 4.445,378 1.688,379 3.014,380 2.154,381 4.366,382 2.556,383 1.559,384 2.111,386 3.713,387 1.549,388 2.623,389 1.754,390 3.772,391 2.464,392 1.465,393 1.616,395 3.286,396 1.458,397 2.5,398 1.633,399 3.707,400 2.234,401 1.248,402 1.5,404 2.796,405 1.225,406 2.472,407 1.493,408 3.483,409 2.043,410 1.04,411 1.431,413 2.554,414 1.039,415 2.289,416 1.077,417 3.414,418 2,419 1,420 1.249,422 2.275,423 1,424 2,425 1,426 3.247,427 1.984,428 1,429 1,431 2.136,432 0.983,433 1.461,434 1,435 3.138,436 1.367,437 0.404,438 0.415,440 0.936,441 0.387,442 1.272,443 0.895,444 2.973,445 1.056,446 0.039,447 0.044,449 0.099,450 0.039,451 14.833,452 0.464,453 0.881,454 0.028,455 35.25,456 1.102,457 15,458 0.469,459 20.25,460 0.633,461 33.65,462 1.052,463 36.767,464 0.584,465 30.792,466 0.962,467 6.852,468 0.214,469 8.439,470 0.264,471 0.184,473 0.357,479 0.565,480 1.35,481 0.848,482 1.148,483 0.543,484 1.056,485 0.535,486 1.2,487 0.84,488 1.093,489 0.36,490 1.024,491 0.792,492 1.104,493 0.935,494 1.063,495 0.623,496 1.019,497 0.87,498 0.996,499 0.925,500 1.043,501 0.872,502 1.004,503 1.118,504 1.109,505 1.018,506 1.053,507 1.123,508 1.024,509 0.782,510 1.133,511 0.956,512 1.102,513 0.735,514 1.065,515 1.222,516 0.998,517 1.108,518 0.971,519 1.204,520 1.006,521 0.84,522 0.902,523 0.794,524 0.939,525 0.959,526 0.874,527 6,528 0.202,529 3.556,530 2.875,531 2.449,532 1.687,533 0.728,534 0.628,535 0.568,536 0.252,537 13024,538 35031,539 1.976,540 49.2,541 3,542 12,545 4,547 10,548 2,550 1.749,551 1.811,552 3.462,553 1.601,555 1,559 99.337,560 1.577,561 3.5,562 4.481,563 4.945,564 5.064,565 5.096,566 3.047,567 4.328,568 4.963,569 3.727,570 1848.78,571 8.712,572 26859.3,574 1,577 376.569,578 1.531,579 4.907,580 0.176,581 0.007,582 0.076,583 0.055,584 0.045,585 0.033,586 0.015,587 0.017,588 0.015,589 0.006,590 0.447,591 0.17,592 1,593 0.886,594 167.537,595 0.088,596 -0.002,597 0.033,598 0.042,599 -0.011,600 0.027,601 0.151,602 -0.017,603 0.072,604 0.018,605 0.212,606 0.03,607 -0.066,608 -0.002,609 -0.005,610 -0.002,611 0.002,612 0.014,613 0.031,614 0.031,615 0.037,616 -0.016,617 0.026,618 0.006,619 -0.127,620 -0.106,621 -0.041,622 -0.043,623 -0.09,624 -0.028,625 0.104,626 -0.13,627 0.015,628 -0.115,629 0.113,630 -0.075,631 -0.175,632 -0.055,633 -0.103,634 -0.039,635 -0.161,636 -0.052,637 0.129,638 0.014,639 0.202,640 0.008,641 -0.005,642 0.1,643 2.487,644 6.188,645 0.563,646 36.898,647 1.005,648 1.139,649 1.873,650 3.508,651 0.631,652 3.555,653 3.871,654 4.127,655 4.394,656 4.605,657 4.663,658 4.682,659 4.796,660 4.812,661 4.585,662 7.153,663 0.6,664 441.59,665 3.555,666 5.094,667 5.938,668 6.819,669 7.688,670 8.58,671 9.462,672 10.361,673 11.25,674 12.154,675 7.9,677 1,678 1,682 2,686 1,688 4,693 2,695 6,708 1,714 63,716 12,717 1,718 34,720 65,721 23,722 6,723 2,724 4,725 6,730 3,731 3,736 2,740 3,741 1,743 4,745 12,746 11,747 1,750 6,752 1,755 4,759 6,761 1,764 31,765 8,766 4,767 9,773 5,777 1,778 4,793 3,804 1,805 1,810 2,811 2,814 1,815 1,819 3,823 2,827 32,828 1,833 8,834 2,837 1,838 1,847 6.3,850 2,853 2,854 17.667,855 11.567,856 7.139,857 3.951,858 2.023,859 1.274,860 0.948,861 8.186,862 9.404,863 3.784,864 4.311,865 4.756,866 5.236,867 5.691,868 5.969,869 6.247,870 6.598,871 6.86,872 6.55,873 1,874 52,875 11.954,877 5.139,878 7.99,879 22.528,881 18.472,883 2.49,884 79.667,888 317.82,889 101.353,890 77.713,892 101.037,895 101.353,896 418.857,897 77.713,898 23.32,899 69.469,900 55.916,901 65.213,902 15.438,904 317.82,905 50.747,906 317.82,907 179.066,908 101.037,911 176.567,912 191.543,913 50.747,915 108.254,916 59.628,917 11.184,919 317.82,920 178.75,921 101.353,924 317.82,925 45.797,926 64.35,927 36.022,928 133.934,929 317.82,930 178.75,931 101.353,933 0.581,934 0.339,935 0.186,936 0.101,937 20,938 11,939 0.123,940 8,942 1,943 4.134,944 286.532,946 18,947 150,951 24.117,952 10.862,953 5.841,955 173.08,956 5.881,961 0.538,963 68.919,964 597.922,965 43,967 -0.487,970 47.546,974 0.966,975 63.305,976 71.727,977 0.264,978 0.586,979 0.75,980 0.827,981 0.847,982 0.853,983 5.04,984 1.559,985 5.932,986 4.445,987 4.554,988 4.997,989 3.068,990 6.763,991 4.515,992 6.237,993 1.465,994 7.508,995 3.713,996 4.205,997 4.913,998 2.555,999 7.771,1000 4.158,1001 7.552,1002 1.248,1003 9.192,1004 3.286,1005 6.155,1006 7.106,1007 4.292,1008 10.908,1009 6.083,1010 8.902,1011 1.04,1012 10.94,1013 2.796,1014 6.621,1015 7.822,1016 4.557,1017 12.802,1018 6.552,1019 10.287,1020 1,1021 12.732,1022 2.554,1023 8.072,1024 9.539,1025 5.978,1026 15.495,1027 7.983,1028 11.695,1029 1,1030 14.556,1031 2.275,1032 8.918,1033 10.601,1034 6.568,1035 17.76,1036 8.838,1037 13.122,1038 0.404,1039 16.402,1040 2.136,1041 10.182,1042 12.135,1043 7.801,1044 20.32,1045 10.09,1046 3.348,1047 0.039,1048 18.267,1049 0.936,1050 11.209,1051 13.358,1052 8.551,1053 22.738,1054 11.125,1055 2.763,1056 12.406,1057 20.148,1058 0.099,1059 12.409,1060 14.814,1061 9.672,1062 25.261,1063 12.32,1064 2.676,1065 9.057,1066 22.041,1067 4.11,1068 13.524,1069 16.116,1070 10.51,1071 27.739,1072 13.439,1073 2.521,1074 8.257,1075 23.944,1076 3.91,1077 14.709,1078 17.538,1079 11.564,1080 30.255,1081 14.621,1082 2.373,1083 7.456,1084 25.856,1085 3.485,1086 15.865,1087 18.881,1088 12.452,1089 32.757,1090 15.78,1091 2.058,1092 6.965,1093 27.775,1094 3.208,1095 17.051,1096 20.287,1097 13.468,1098 35.272,1099 16.964,1100 1.724,1101 5.614,1102 29.702,1103 2.525,1104 18.23,1105 21.654,1106 14.386,1107 37.783,1108 18.143,1109 12877,1110 21430,1111 21.789,1112 39.745,1113 50.738,1114 53.225,1115 53.278,1116 50.477,1117 50.437,1118 62.393,1119 15.855,1120 143.986,1121 49.501,1122 5.641,1123 5.888,1124 6.933,1125 5.383,1126 5.348,1127 7.11,1128 4.612,1129 19.95,1130 5.333,1131 19.533,1132 1.492,1133 1.565,1134 1.567,1135 1.485,1136 1.483,1137 1.835,1138 0.466,1139 4.235,1140 1.456,1141 4.059,1142 4.087,1143 4.017,1144 3.968,1145 7.815,1146 3.973,1147 3.881,1148 3.938,1149 3.837,1150 3.723,1151 7.438,1152 3.736,1153 3.852,1154 3.896,1155 3.726,1156 3.698,1157 7.428,1158 3.696,1159 3.622,1160 3.687,1161 3.52,1162 3.443,1163 6.999,1164 3.445,1165 3.47,1166 3.511,1167 3.429,1168 3.309,1169 4.895,1170 3.309,1171 3.456,1172 3.49,1173 3.337,1174 3.084,1175 4.713,1176 3.156,1177 3.253,1178 3.328,1179 3.124,1180 2.957,1181 4.515,1182 2.992,1183 3.168,1184 3.263,1185 2.968,1186 2.941,1187 4.349,1188 2.913,1189 0.136,1190 0.114,1191 0.21,1192 0.128,1193 0.098,1194 4.641,1195 0.121,1196 3.888,1197 0.077,1198 7.131,1199 0.365,1200 4.344,1201 0.098,1202 3.348,1203 4.11,1204 2.612,1205 12.406,1206 3.333,1207 1.997,1208 1.974,1209 2.084,1210 2.117,1211 1.419,1212 2.1,1213 1.839,1214 1.776,1215 2.064,1216 2.032,1217 1.309,1218 2.046,1219 1.793,1220 1.759,1221 1.91,1222 1.986,1223 1.18,1224 1.95,1225 1.599,1226 1.532,1227 1.854,1228 1.811,1229 1.001,1230 1.826,1231 1.428,1232 1.383,1233 1.673,1234 1.637,1235 0.825,1236 1.637,1237 1.238,1238 1.193,1239 1.513,1240 1.629,1241 0.775,1242 1.55,1243 1.153,1244 1.08,1245 1.482,1246 1.487,1247 0.671,1248 1.472,1249 1.151,1250 1.064,1251 1.431,1252 1.436,1253 0.583,1254 1.453,1255 4.234,1257 5.549,1259 7.062,1261 8.675,1263 10.348,1265 3.512,1269 5.671,1271 8.248,1272 6.074,1275 -0.698,1276 2.416,1280 37.815,1281 99.337,1282 220.527,1283 282.304,1284 311.549,1285 319.059,1286 321.059,1287 97.689,1288 7.38,1289 133.28,1290 133.28,1291 18,1292 12.677,1293 3.7,1294 3.322,1295 60.975,1296 129,1297 166,1298 0.22,1299 235.751,1300 427.52,1301 566.993,1302 15764,1304 23.25,1305 0.727,1306 0.583,1307 23.25,1308 18.648,1309 15.291,1310 0.45,1311 0.324,1312 10.875,1313 14.618,1314 10.595,1315 8.811,1316 15.291,1317 11.025,1318 13.851,1319 0.295,1320 0.178,1321 13.851,1322 8.36,1323 10.924,1324 0.179,1325 0.1,1326 10.924,1327 6.093,1328 9.35,1329 0.117,1330 0.057,1331 9.35,1332 4.526,1333 7.087,1334 0.072,1335 0.031,1336 7.087,1337 3.117,1338 0.344,1339 96.56,1340 0.214,1341 29.891,1342 0.611,1343 162,1344 502.21,1345 179.488,1346 480.888,1347 632.4,1348 442,1349 189,1350 453.539,1351 205.468,1352 453.185,1353 655.43,1354 424,1355 4.513} {0 CHEMBL150798,1 1.252,2 6.267,3 2.745,4 7.534,5 64.563,6 6.131,7 0.625,8 3.552,9 3.705,10 2.947,11 3.105,12 4.528,13 3.036,14 4.084,15 4.295,16 3.266,17 3.509,18 4.932,19 3.405,20 4.317,21 4.563,22 3.265,23 3.627,24 5.129,25 3.481,26 4.375,27 4.643,28 3.123,29 3.589,30 5.149,31 3.408,32 4.295,33 4.592,34 2.91,35 3.407,36 5.033,37 3.203,38 4.072,39 4.357,40 2.694,41 3.19,42 4.834,43 2.994,44 3.949,45 4.252,46 2.155,47 2.948,48 4.657,49 2.684,50 3.813,51 4.21,52 1.593,53 2.518,54 4.365,55 2.162,56 0.05,57 0.473,58 8.048,59 3.116,60 7.539,61 4.64,62 0.077,63 0.743,64 13.5,65 5.4,66 10.315,67 7.969,68 0.094,69 0.877,70 16.829,71 6.765,72 15.651,73 9.979,74 0.107,75 0.889,76 17.739,77 6.916,78 17.62,79 10.316,80 0.129,81 0.782,82 16.267,83 6.163,84 17.913,85 9.236,86 0.095,87 0.637,88 13.11,89 4.623,90 14.077,91 7.148,92 0.095,93 0.534,94 11.523,95 3.899,96 12.953,97 6.113,98 0.072,99 0.384,100 9.579,101 3.333,102 12.644,103 5.198,104 15,105 22,106 0.237,107 0.613,108 0.792,109 0.82,110 0.82,111 0.82,112 2.796,113 1.035,114 -3.65,115 -3.62,116 -3.45,119 39.4,120 2,121 1,122 1,125 1,140 3,141 3,149 1,150 1,161 1,162 1,163 1,169 9,176 4,178 11,180 1,186 4,189 11,191 1,197 2,199 8,201 1,207 1,208 2,210 1,211 4,213 1,220 4,222 2,224 2,231 2,235 2,242 2,246 2,259 210,260 10.077,261 10.077,262 10.077,263 10.077,264 10.077,265 8.972,266 8.238,267 5.995,268 10.15,269 7.848,270 7.848,271 7.848,272 7.848,273 7.848,274 6.099,275 4.412,276 2.732,277 7.966,278 3.793,279 1.805,280 0.857,281 0.712,282 0.712,283 0.712,284 3.44,288 1,289 1,290 191,291 2.646,294 29.378,295 33.706,298 53.12,302 0.987,303 7.027,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 31,315 94,316 4.558,317 3.203,318 6.558,319 4.096,320 3.107,321 4.507,323 10.396,324 3.073,325 3.869,326 2.864,327 5.87,328 3.613,329 2.616,330 3.25,332 7.998,333 2.607,334 3.365,335 2.171,336 5.122,337 2.987,338 2.002,339 2.692,341 5.963,342 1.97,343 2.785,344 1.418,345 4.202,346 2.365,347 1.39,348 1.898,350 3.66,351 1.353,352 2.508,353 1.329,354 3.772,355 2.238,356 1.249,357 1.51,359 2.858,360 1.235,361 2.24,362 1.074,363 3.299,364 1.965,365 1,366 1.195,368 1.992,369 0.963,370 1.92,371 0.67,372 3.017,373 1.536,374 0.577,375 0.762,377 1.202,378 0.552,379 0.912,380 -0.094,381 2.331,382 0.616,383 -0.344,384 -0.401,386 -0.622,387 -0.329,388 0.667,389 -0.632,390 2,391 0.241,392 -0.745,393 -0.955,395 -1.731,396 -0.733,397 0.405,398 -0.9,399 2,400 0.048,401 -0.934,402 -1,404 -2,405 -0.919,407 -1,408 1.699,410 -1,411 -1.314,413 -2.674,414 -1,415 -0.085,416 -1.246,417 1.366,418 -0.48,419 -1.446,420 -1.677,422 -3.915,423 -1.391,424 -0.314,425 -1.459,426 1,427 -0.654,428 -1.649,429 -2.089,431 -4.916,432 -1.638,433 -0.5,434 -1.732,435 0.857,436 -0.89,437 -1.882,438 -2.53,440 -5.382,441 -1.841,442 -0.614,443 -1.906,444 0.674,445 -0.981,446 -1.941,447 -2.848,449 -6.173,450 -1.901,451 7.3,452 0.487,453 0.366,454 0.024,455 16.75,456 1.117,457 8,458 0.533,459 8.75,460 0.583,461 11.898,462 0.793,463 16.7,464 0.506,465 9.207,466 0.614,467 3.071,468 0.205,469 4.148,470 0.277,471 0.192,473 0.342,479 1.324,480 1.141,481 1.051,482 1.033,483 1.424,484 1.023,485 0.925,486 1.039,487 0.936,488 0.987,489 0.834,490 0.966,491 0.801,492 1.069,493 0.994,494 1.072,495 0.798,496 1.051,497 0.883,498 1.118,499 1.078,500 1.14,501 0.812,502 1.126,503 0.748,504 1.012,505 0.982,506 1.048,507 0.83,508 1.034,509 1.226,510 1.17,511 1.145,512 1.139,513 1.021,514 1.137,515 1.527,516 1.201,517 1.392,518 1.273,519 1.257,520 1.314,521 0.672,522 0.69,523 0.65,524 0.664,525 0.847,526 0.657,527 3,529 2,530 0.979,531 0.693,532 0.549,533 0.253,534 0.09,537 1435,538 2741,539 1.993,540 54.5,541 7,542 5,543 1,545 3,547 2,550 1.534,551 1.837,552 2.698,553 1.182,557 1,559 41.301,560 1.252,561 3.239,562 4.188,563 4.332,564 4.332,565 4.332,566 2.182,567 3.374,568 3.875,569 2.76,570 289.838,571 6.513,572 2344.58,574 1,577 166.465,578 1.506,579 3.82,580 0.188,582 0.091,583 0.047,584 0.041,585 0.042,586 0.025,587 0.023,590 0.456,591 1,592 1,593 1.373,594 57.741,595 -0.135,596 0.118,597 0.014,598 0.096,599 -0.243,600 0.071,601 -0.022,602 0.077,603 0.073,604 0.096,605 0.003,606 0.093,607 -0.018,608 -0.037,609 -0.017,610 -0.027,611 -0.01,612 -0.023,613 -0.053,614 -0.129,615 -0.113,616 -0.134,617 -0.074,618 -0.129,619 0.147,620 -0.076,621 -0.026,622 -0.088,623 0.066,624 -0.073,625 -0.104,626 -0.192,627 -0.168,628 -0.193,629 -0.002,630 -0.186,631 -0.293,632 -0.25,633 -0.422,634 -0.37,635 -0.241,636 -0.399,637 0.164,638 0.034,639 0.248,640 0.166,641 0.252,642 0.205,643 0.793,644 1.595,645 0.6,646 8.267,647 0.978,648 1.131,649 2.418,650 5.849,651 0.639,652 2.833,653 3.135,654 3.401,655 3.638,656 3.807,657 3.871,658 3.85,659 3.714,660 3.332,661 2.944,662 3.872,663 0.584,664 202.33,665 2.833,666 4.344,667 5.187,668 6.061,669 6.934,670 7.817,671 8.699,672 9.585,673 10.469,674 11.356,675 6.1,676 1,683 1,687 2,688 4,690 1,693 2,695 10,714 33,716 10,717 1,718 16,720 34,721 13,722 8,723 3,724 3,730 2,731 3,736 3,743 1,745 8,746 5,747 1,761 1,764 18,765 1,766 3,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,812 1,819 1,823 2,827 15,828 1,833 2,837 1,854 8.167,855 6.25,856 3.417,857 2.09,858 2.094,859 1.358,860 0.979,861 2.893,862 7.949,863 3.091,864 3.72,865 4.377,866 5.009,867 5.511,868 5.85,869 6.171,870 6.405,871 6.039,872 5.753,873 1,874 21,875 5.535,876 -0.001,877 2.243,878 7.467,879 10.973,881 8.979,883 1.967,884 29.5,885 0.008,888 176.567,889 70.855,890 49.683,895 70.855,896 176.567,897 49.683,898 17.65,899 37.537,900 37.476,902 25.73,903 13.915,904 164.795,906 176.567,907 120.538,911 153.024,912 23.542,915 71.973,916 48.564,919 176.567,920 49.683,921 70.855,924 176.567,925 15.728,926 55.127,927 16.786,928 32.897,929 176.567,930 49.683,931 70.855,933 0.572,934 0.337,935 0.182,936 0.102,937 11,938 5,939 0.088,940 3,941 1,942 1.222,943 2.683,944 96.996,945 0.222,946 9,947 56.603,951 10.403,952 4.171,953 1.963,954 2.537,955 32.897,956 8.698,958 3.284,961 2.718,963 49.683,964 297.104,965 21,975 32.272,976 37.318,977 0.248,978 0.642,979 0.83,980 0.859,981 0.859,982 0.859,983 4.297,984 -0.344,985 5.176,986 1.202,987 3.807,988 4.401,990 5.994,991 3.78,992 5.512,993 -0.745,994 6.744,995 -0.622,996 3.434,997 4.311,999 6.94,1000 3.414,1001 6.829,1002 -0.934,1003 8.416,1004 -1.731,1005 5.398,1006 6.707,1008 10.019,1009 5.355,1010 8.193,1011 -1,1012 10.146,1013 -2,1014 5.861,1015 7.5,1017 11.791,1018 5.819,1019 9.593,1020 -1.446,1021 11.914,1022 -2.674,1023 7.307,1024 9.362,1026 14.379,1027 7.248,1028 11.019,1029 -1.649,1030 13.705,1031 -3.915,1032 8.137,1033 10.55,1035 16.48,1036 8.072,1037 12.464,1038 -1.882,1039 15.514,1040 -4.916,1041 9.38,1042 12.2,1044 18.903,1045 9.302,1046 3.107,1047 -1.941,1048 17.335,1049 -5.382,1050 10.372,1051 13.566,1053 21.141,1054 10.285,1055 2.616,1056 10.396,1057 19.166,1058 -6.173,1059 11.538,1060 15.129,1062 23.506,1063 11.438,1064 2.002,1065 7.998,1066 21.004,1067 4.507,1068 12.602,1069 16.574,1071 25.801,1072 12.492,1073 1.39,1074 5.963,1075 22.848,1076 3.25,1077 13.739,1078 18.102,1080 28.147,1081 13.617,1082 1.249,1083 3.66,1084 24.697,1085 2.692,1086 14.836,1087 19.581,1089 30.468,1090 14.703,1091 1,1092 2.858,1093 26.55,1094 1.898,1095 15.964,1096 21.096,1098 32.808,1099 15.819,1100 0.577,1101 1.992,1102 28.406,1103 1.51,1104 17.078,1105 22.59,1107 35.14,1108 16.92,1109 1535,1110 2171,1111 10.345,1112 21.103,1113 24.115,1114 23.917,1115 25.181,1116 23.863,1117 23.883,1118 31.627,1120 68.14,1121 23.505,1122 5.273,1123 5.203,1124 6.324,1125 5.096,1126 5.107,1127 7.507,1129 17.052,1130 5.073,1131 7.68,1132 1.507,1133 1.495,1134 1.574,1135 1.491,1136 1.493,1137 1.977,1139 4.259,1140 1.469,1141 4.138,1142 4.171,1143 4.094,1144 4.062,1145 5.028,1146 4.066,1147 3.674,1148 3.735,1149 3.55,1150 3.563,1151 4.932,1152 3.552,1153 3.483,1154 3.575,1155 3.305,1156 3.301,1157 4.355,1158 3.289,1159 3.2,1160 3.282,1161 3.029,1162 3.013,1163 3.996,1164 3.008,1165 2.919,1166 3.009,1167 2.778,1168 2.76,1169 3.767,1170 2.754,1171 2.874,1172 3.002,1173 2.499,1174 2.618,1175 3.467,1176 2.57,1177 2.639,1178 2.77,1179 2.369,1180 2.33,1181 3.421,1182 2.322,1183 2.36,1184 2.439,1185 2.187,1186 2.201,1187 3.038,1188 2.188,1189 0.285,1190 0.2,1191 0.41,1192 0.256,1193 0.194,1194 4.558,1195 0.282,1196 3.203,1198 6.558,1199 0.65,1200 4.096,1201 0.192,1202 3.107,1203 4.507,1205 10.396,1206 3.073,1207 1.978,1208 1.955,1209 2.085,1210 2.053,1211 1.303,1212 2.064,1213 1.661,1214 1.605,1215 1.879,1216 1.847,1217 1.121,1218 1.859,1219 1.553,1220 1.486,1221 1.791,1222 1.746,1223 0.92,1224 1.77,1225 1.263,1226 1.172,1227 1.515,1228 1.538,1229 0.554,1230 1.543,1231 0.934,1232 0.847,1233 1.417,1234 1.239,1235 0.469,1236 1.308,1237 0.915,1238 0.804,1239 1.176,1240 1.152,1241 0.247,1242 1.172,1243 0.728,1244 0.651,1245 1.066,1246 0.959,1247 0.12,1248 1.002,1249 0.504,1250 0.363,1251 0.91,1252 0.804,1254 0.848,1255 3.497,1257 4.796,1258 2.398,1259 6.297,1260 4.727,1261 7.894,1262 6.823,1263 9.543,1265 4.437,1269 5.595,1271 1.653,1275 0.579,1280 19.257,1281 41.301,1282 106.901,1283 138.2,1284 142.955,1285 142.955,1286 142.955,1287 17.278,1288 5.855,1289 41.81,1290 41.81,1291 11,1292 11.888,1293 3.459,1294 2.585,1295 23.49,1296 34,1297 37,1298 0.364,1299 122.563,1300 198.38,1301 290.814,1302 1939,1304 10.836,1305 0.722,1306 0.625,1307 10.836,1308 9.378,1309 7.22,1310 0.451,1311 0.345,1312 5.489,1313 7.106,1314 5.259,1315 4.452,1316 7.22,1317 5.521,1318 6.367,1319 0.289,1320 0.196,1321 6.367,1322 4.312,1323 5.205,1324 0.179,1325 0.099,1326 5.205,1327 2.872,1328 4.215,1329 0.114,1330 0.052,1331 4.215,1332 1.917,1333 3.248,1334 0.074,1335 0.029,1336 3.248,1337 1.263,1338 0.535,1339 44.125,1340 0.311,1341 14.902,1342 1.098,1343 76,1344 147.645,1345 78.415,1346 152.81,1347 217.98,1348 144,1349 89,1350 167.394,1351 91.498,1352 174.688,1353 254.38,1354 165,1355 8.959} {0 CHEMBL1510,1 1.495,2 11.037,3 4.439,4 19.702,5 110.774,6 7.218,7 0.533,8 4.051,9 4.163,10 3.749,11 3.681,12 4.984,13 3.601,14 4.64,15 4.809,16 4.039,17 4.103,18 5.716,19 4.006,20 4.924,21 5.137,22 4.025,23 4.241,24 5.869,25 4.092,26 4.994,27 5.234,28 3.919,29 4.196,30 5.943,31 4.026,32 4.914,33 5.182,34 3.871,35 4.091,36 5.823,37 3.933,38 4.766,39 4.981,40 3.825,41 4.043,42 5.745,43 3.909,44 4.781,45 5.034,46 3.759,47 4.007,48 5.647,49 3.843,50 4.682,51 4.938,52 3.648,53 3.897,54 5.609,55 3.734,56 0.087,57 0.763,58 14.596,59 5.783,60 13.509,61 7.221,62 0.244,63 1.301,64 25.194,65 9.834,66 44.277,67 12.697,68 0.25,69 1.624,70 35.723,71 13.54,72 44.2,73 17.294,74 0.312,75 1.65,76 37.647,77 14.158,78 60.991,79 18.385,80 0.289,81 1.521,82 35.951,83 13.228,84 52.222,85 17.39,86 0.243,87 1.37,88 28.285,89 10.631,90 42.316,91 14.074,92 0.24,93 1.384,94 29.508,95 10.777,96 32.919,97 14.808,98 0.271,99 1.225,100 28.931,101 10.713,102 36.965,103 14.092,104 10,105 43,106 0.247,107 0.559,108 0.768,109 0.856,110 0.864,111 0.864,112 3.34,113 1.125,114 -4.44,115 -4.37,116 -4.12,119 41.5,121 4,124 1,125 2,127 1,140 8,141 3,142 1,149 1,150 1,169 12,171 1,172 3,176 3,178 13,182 7,186 3,189 11,193 7,197 1,199 8,203 7,206 1,208 2,211 8,215 6,220 1,222 10,226 4,233 13,237 2,240 2,244 10,254 2,256 6,259 1093,260 18.179,261 18.179,262 18.179,263 18.179,264 18.179,265 16.035,266 16.006,267 10.616,268 18.635,269 14.805,270 14.805,271 14.805,272 14.805,273 14.805,274 11.504,275 15.614,276 5.036,277 15.543,278 4.232,279 2.35,280 1.085,281 0.557,282 0.505,283 0.505,284 4.034,288 1,289 1,290 652,291 3.536,294 137.739,295 166.22,298 113.327,302 1.674,303 25.933,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57,315 298,316 4.843,317 5.246,318 7.293,319 4.236,320 3.374,321 4.695,322 2.95,323 12.405,324 3.071,325 4.554,326 3.232,327 6.561,328 4.097,329 3.112,330 4.504,331 0.8,332 10.422,333 2.87,334 3.844,335 3.011,336 6.038,337 3.744,338 2.794,339 3.143,341 8.629,342 2.655,343 3.677,344 2.853,345 5.318,346 3.341,347 2.349,348 3.044,350 6.84,351 2.327,352 3.547,353 2.51,354 5.088,355 3.009,356 2.028,357 2.849,359 5.865,360 1.978,361 3.301,362 2.085,363 4.9,364 2.892,365 1.915,366 2.587,368 5.343,369 1.869,370 2.735,371 1.719,372 4.222,373 2.32,374 1.347,375 1.835,377 3.702,378 1.309,379 2.701,380 1.456,381 3.976,382 2.207,383 1.237,384 1.775,386 3.153,387 1.192,388 2.5,389 1.264,390 3.679,391 2.144,392 1.179,393 1.5,395 2.796,396 1.135,397 2.362,398 1.16,399 3.418,400 2.08,401 1.101,402 1.343,404 2.389,405 1.076,406 2.159,407 1,408 3.316,409 2,410 1,411 1.13,413 2.136,414 1,415 2.085,416 0.891,417 3.247,418 1.773,419 0.793,420 1.013,422 1.881,423 0.775,424 1.8,425 0.738,426 3.203,427 1.496,428 0.526,429 0.647,431 1.283,432 0.508,433 1.056,434 0.338,435 2.766,436 0.836,437 -0.143,438 -0.161,440 -0.371,441 -0.139,442 1,443 -0.036,444 2.665,445 0.428,446 -0.532,447 -0.623,449 -1.314,450 -0.502,451 13.3,452 0.493,453 0.731,454 0.027,455 33.75,456 1.25,457 17,458 0.63,459 16.75,460 0.62,461 23.613,462 0.875,463 29.3,464 0.553,465 23.824,466 0.882,467 6.157,468 0.228,469 6.87,470 0.254,471 0.088,472 0.063,473 0.256,479 0.52,480 1.242,481 0.888,482 1.159,483 0.621,484 0.989,485 0.795,486 1.084,487 1.007,488 1.026,489 0.553,490 0.983,491 1.044,492 1.084,493 1.163,494 1.134,495 0.939,496 1.095,497 1.183,498 1.036,499 1.027,500 1.029,501 1.243,502 1.069,503 0.874,504 0.861,505 0.847,506 0.87,507 0.879,508 0.822,509 1.233,510 1.109,511 1.008,512 1.011,513 1.171,514 1.088,515 0.876,516 0.956,517 0.873,518 0.913,519 0.744,520 0.995,521 0.598,522 0.947,523 0.99,524 1.036,525 0.618,526 0.945,527 6,528 0.148,529 3.778,530 1.861,531 1.132,532 0.889,533 0.453,534 0.405,535 0.298,536 0.155,537 9480,538 21363,539 2.11,540 49.1,542 16,543 1,545 1,547 8,550 1.699,551 1.988,552 3.429,553 -0.382,555 1,559 79.261,560 1.495,561 3.378,562 4.643,563 5.171,564 5.223,565 5.223,566 2.883,567 4.533,568 4.728,569 3.621,570 1270.94,571 8.197,572 16542.1,574 1,576 1,577 303.58,578 1.481,579 4.685,580 0.2,581 0.008,582 0.088,583 0.047,584 0.033,585 0.025,586 0.014,587 0.014,588 0.011,589 0.008,590 0.447,591 0.17,592 1,593 0.528,594 134.695,595 0.129,596 -0.061,597 0.213,598 -0.002,599 -0.111,600 0.048,601 0.11,602 0.029,603 -0.003,604 0.008,605 0.22,606 0.007,607 -0.093,608 -0.058,609 -0.119,610 -0.095,611 -0.004,612 -0.102,613 -0.096,614 -0.082,615 -0.066,616 -0.061,617 -0.066,618 -0.092,619 0.061,620 0.08,621 0.138,622 0.105,623 0.071,624 0.165,625 -0.143,626 -0.097,627 -0.115,628 -0.083,629 -0.091,630 -0.129,631 -0.048,632 0.036,633 0.019,634 0.008,635 -0.029,636 -0.025,637 0.205,638 0.024,639 0.038,640 -0.02,641 0.148,642 0.056,643 4.166,644 5.541,645 0.741,646 24.979,647 0.991,648 1.119,649 3.213,650 10.323,651 0.674,652 3.434,653 3.784,654 4.043,655 4.263,656 4.419,657 4.466,658 4.625,659 4.762,660 4.796,661 4.875,662 6.668,663 0.622,664 382.57,665 3.434,666 4.99,667 5.844,668 6.727,669 7.597,670 8.483,671 9.359,672 10.246,673 11.125,674 12.013,675 3.8,678 1,683 1,687 2,688 9,690 1,693 3,695 16,714 53,716 18,717 2,718 30,720 56,721 22,722 14,723 4,724 8,730 4,731 5,740 3,743 5,745 14,746 8,750 2,753 1,755 2,761 1,764 26,765 3,766 1,767 5,768 1,773 2,777 0.75,778 2,788 1,789 1,792 2,793 2,796 1,815 1,819 3,821 1,823 1,827 27,829 1,833 6,837 1,838 1,847 3.8,850 2,854 13.583,855 9.533,856 5.792,857 3.29,858 2.946,859 1.392,860 1.015,861 5.182,862 10.467,863 3.714,864 4.353,865 4.893,866 5.442,867 5.928,868 6.174,869 6.577,870 6.908,871 6.999,872 7.272,873 1,874 40,875 10.237,877 4.611,878 7.651,879 19.849,881 17.291,883 2.151,884 58.083,886 1,887 1,888 294.278,889 125.082,890 19.91,892 44.313,894 6.046,895 119.036,896 338.591,897 19.91,898 8.396,899 13.144,900 90.903,901 44.313,902 30.405,903 13.915,904 282.506,906 294.278,907 138.946,908 44.313,909 6.046,911 200.109,912 138.482,915 33.053,916 105.893,917 6.046,919 294.278,920 64.223,921 125.082,923 6.046,924 294.278,925 25.783,926 96.378,927 16.786,928 44.313,929 294.278,930 64.223,931 125.082,933 0.591,934 0.344,935 0.175,936 0.088,937 22,938 9,939 0.107,940 6,941 1,942 1.1,943 3.948,944 230.988,945 0.1,946 20,947 122.382,950 1,951 18.429,952 7.592,953 4.008,954 2.352,955 47.437,956 17.088,958 3.366,961 2.803,963 16.786,964 483.583,965 40,968 -3.249,970 25.081,975 52.538,976 59.318,977 0.261,978 0.59,979 0.811,980 0.903,981 0.912,982 0.912,983 4.963,984 1.237,985 5.861,986 3.702,987 4.466,988 5.04,989 2.963,990 6.711,991 4.37,992 6.196,993 1.179,994 7.453,995 3.153,996 4.205,997 5.112,998 0.325,999 7.908,1000 3.964,1001 7.547,1002 1.101,1003 9.161,1004 2.796,1005 6.146,1006 7.378,1007 5.03,1008 10.932,1009 5.911,1010 8.944,1011 1,1012 10.941,1013 2.389,1014 6.735,1015 8.313,1016 0.268,1017 12.971,1018 6.33,1019 10.382,1020 0.793,1021 12.769,1022 2.136,1023 8.173,1024 10.103,1025 7.185,1026 15.59,1027 7.758,1028 11.847,1029 0.526,1030 14.63,1031 1.881,1032 9.112,1033 11.39,1034 0.188,1035 17.922,1036 8.538,1037 13.334,1038 -0.143,1039 16.516,1040 1.283,1041 10.377,1042 13.016,1043 9.348,1044 20.441,1045 9.763,1046 3.374,1047 -0.532,1048 18.419,1049 -0.371,1050 11.46,1051 14.448,1052 0.125,1053 22.876,1054 10.709,1055 3.112,1056 12.405,1057 20.337,1058 -1.314,1059 12.668,1060 16.015,1061 11.511,1062 25.375,1063 11.851,1064 2.794,1065 10.422,1066 22.265,1067 4.695,1068 13.812,1069 17.505,1070 0.082,1071 27.85,1072 12.875,1073 2.349,1074 8.629,1075 24.202,1076 4.504,1077 15.004,1078 19.05,1079 13.675,1080 30.348,1081 13.986,1082 2.028,1083 6.84,1084 26.146,1085 3.143,1086 16.175,1087 20.565,1088 0.054,1089 32.842,1090 15.047,1091 1.915,1092 5.865,1093 28.095,1094 3.044,1095 17.365,1096 22.102,1097 15.838,1098 35.344,1099 16.148,1100 1.347,1101 5.343,1102 30.05,1103 2.849,1104 18.549,1105 23.627,1106 0.035,1107 37.846,1108 17.229,1109 8929,1110 13587,1111 20.167,1112 35.705,1113 45.549,1114 47.109,1115 45.986,1116 45.634,1117 45.507,1118 60.132,1119 7.5,1120 133.686,1121 43.53,1122 5.777,1123 7.246,1124 7.095,1125 5.328,1126 5.374,1127 7.695,1128 5.9,1129 19.565,1130 5.071,1131 11.458,1132 1.518,1133 1.57,1134 1.533,1135 1.521,1136 1.517,1137 2.004,1138 0.25,1139 4.456,1140 1.451,1141 4.162,1142 4.187,1143 4.742,1144 4.131,1145 7.714,1146 4.085,1147 4.056,1148 4.036,1149 4.092,1150 4.03,1151 6.999,1152 3.972,1153 3.853,1154 3.919,1155 3.735,1156 3.708,1157 4.959,1158 3.705,1159 3.678,1160 3.701,1161 3.675,1162 3.608,1163 4.715,1164 3.563,1165 3.457,1166 3.478,1167 3.407,1168 3.361,1169 4.381,1170 3.336,1171 3.158,1172 3.25,1173 3.009,1174 3.012,1175 4.283,1176 2.994,1177 3.136,1178 3.227,1179 2.874,1180 2.899,1181 3.819,1182 2.877,1183 2.95,1184 3.025,1185 2.762,1186 2.783,1187 3.702,1188 2.76,1189 0.161,1190 0.175,1191 0.243,1192 0.141,1193 0.112,1194 4.843,1195 0.156,1196 5.246,1197 0.098,1198 7.293,1199 0.414,1200 4.236,1201 0.102,1202 3.374,1203 4.695,1204 2.95,1205 12.405,1206 3.071,1207 2.009,1208 2.015,1209 2.069,1210 2.068,1211 1.369,1212 2.106,1213 1.934,1214 1.921,1215 1.996,1216 1.996,1217 1.3,1218 2.018,1219 1.707,1220 1.656,1221 1.906,1222 1.878,1223 1.163,1224 1.887,1225 1.586,1226 1.578,1227 1.826,1228 1.767,1229 1.096,1230 1.795,1231 1.556,1232 1.48,1233 1.678,1234 1.722,1235 0.941,1236 1.759,1237 1.408,1238 1.337,1239 1.622,1240 1.618,1241 0.748,1242 1.633,1243 1.171,1244 1.144,1245 1.383,1246 1.349,1247 0.519,1248 1.388,1249 0.959,1250 0.856,1251 1.204,1252 1.207,1253 0.482,1254 1.259,1255 4.111,1257 5.451,1258 3.045,1259 6.974,1260 5.352,1261 8.576,1262 7.38,1263 10.221,1265 2.201,1271 5.4,1275 0.603,1276 2.44,1280 32.981,1281 79.261,1282 179.05,1283 246.07,1284 274.07,1285 276.825,1286 276.825,1287 49.313,1288 7.521,1289 53.17,1290 61.55,1291 22,1292 12.545,1293 4.248,1294 3.459,1295 40.302,1296 109,1297 99,1298 0.18,1299 204.449,1300 346.63,1301 490.615,1302 19767,1304 18.855,1305 0.698,1306 0.611,1307 19.105,1308 16.505,1309 13.027,1310 0.434,1311 0.375,1312 9.663,1313 11.939,1314 9.257,1315 7.651,1316 13.848,1317 11.25,1318 12.207,1319 0.284,1320 0.225,1321 13.53,1322 9.666,1323 10.222,1324 0.183,1325 0.133,1326 11.314,1327 7.453,1328 8.117,1329 0.116,1330 0.076,1331 9,1332 5.351,1333 6.235,1334 0.076,1335 0.044,1336 7.044,1337 3.629,1338 0.286,1339 88.486,1340 0.223,1341 26.085,1342 0.488,1343 146,1344 356.309,1345 190.102,1346 372.099,1347 508.69,1348 344,1349 172,1350 349.152,1351 222.333,1352 391.502,1353 566.9,1354 367,1355 8.9} {0 CHEMBL151045,1 1.566,2 15.667,3 1.339,4 1.794,5 152.277,6 7.212,7 0.286,8 4.387,9 4.514,10 3.905,11 3.894,12 5.52,13 3.87,14 4.935,15 5.11,16 4.285,17 4.317,18 6.108,19 4.27,20 5.259,21 5.459,22 4.421,23 4.538,24 6.311,25 4.47,26 5.44,27 5.659,28 4.471,29 4.614,30 6.562,31 4.524,32 5.494,33 5.739,34 4.402,35 4.602,36 6.555,37 4.496,38 5.446,39 5.703,40 4.322,41 4.512,42 6.556,43 4.394,44 5.384,45 5.653,46 4.117,47 4.381,48 6.391,49 4.256,50 5.224,51 5.492,52 4.118,53 4.244,54 6.252,55 4.136,56 0.183,57 1.085,58 15.945,59 6.691,60 21.975,61 9.059,62 0.38,63 1.73,64 29.4,65 11.479,66 71.705,67 16.014,68 0.457,69 2.235,70 42.411,71 15.408,72 80.603,73 21.525,74 0.822,75 2.5,76 52.862,77 18.517,78 126.853,79 25.883,80 0.752,81 2.564,82 57.129,83 18.729,84 141.665,85 27.172,86 0.901,87 2.437,88 54.921,89 17.345,90 157.06,91 25.986,92 0.859,93 2.19,94 53.033,95 15.407,96 147.653,97 23.17,98 0.755,99 1.87,100 44.846,101 14.166,102 100.543,103 20.857,104 69,105 60,106 0.242,107 0.575,108 0.715,109 0.797,110 0.826,111 0.831,112 3.693,113 0.937,114 -3.36,115 -3.35,116 -3.2,119 39.2,120 2,121 3,122 1,125 4,129 1,135 2,137 2,140 9,141 2,142 1,156 2,161 1,162 1,163 1,164 2,169 13,171 1,172 7,173 1,174 2,176 10,178 20,180 1,182 8,186 5,189 17,191 1,193 13,195 4,196 2,197 9,198 1,199 16,201 3,203 9,208 7,211 7,213 2,214 2,215 13,217 1,218 2,219 1,220 12,221 1,222 8,224 3,226 6,233 4,236 2,237 8,239 1,240 4,241 1,242 2,244 7,246 1,248 4,249 6,251 2,252 6,254 2,256 3,259 3304,260 25.681,261 25.681,262 25.681,263 25.681,264 25.681,265 23.054,266 39.611,267 14.933,268 25.976,269 20.642,270 20.642,271 20.642,272 20.642,273 20.642,274 16.746,275 53.332,276 6.968,277 21.095,278 4.644,279 2.487,280 1.582,281 1.051,282 0.858,283 0.831,284 4.38,289 1,290 1300,291 4.528,295 585.524,302 2.103,303 56.3,306 0.75,307 0.67,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.74,314 85.5,315 611,316 4.641,317 3.888,318 7.471,319 4.408,320 3.441,321 4.11,322 2.612,323 13.186,324 3.333,325 4.529,326 3.8,327 7.131,328 4.344,329 3.348,330 3.91,331 1.36,332 12.406,333 3.322,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.818,340 1.058,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 0.98,350 8.257,351 2.681,352 3.767,353 3.136,354 5.702,355 3.379,356 2.45,357 3.208,358 0.8,359 7.456,360 2.325,361 3.558,362 2.78,363 5.358,364 3.352,365 2.373,366 2.817,367 0.765,368 6.942,369 2.278,370 3.362,371 2.744,372 5.012,373 3.047,374 2.062,375 2.452,376 0.759,377 5.614,378 2.017,379 3.322,380 2.372,381 4.991,382 3.006,383 2.023,384 2.391,385 0.359,386 5.47,387 1.978,388 3.096,389 2.154,390 4.615,391 2.687,392 1.704,393 2.152,395 4.444,396 1.667,397 3.014,398 2.095,399 4.366,400 2.482,401 1.481,402 2.111,404 3.713,405 1.474,406 2.658,407 1.705,408 3.802,409 2.351,410 1.352,411 1.712,413 2.97,414 1.346,415 2.51,416 1.632,417 3.767,418 2.202,419 1.211,420 1.5,422 2.789,423 1.198,424 2.5,425 1.289,426 3.678,427 2.049,428 1.048,429 1.5,431 2.638,432 1.046,433 2.5,434 1.077,435 3.585,436 2,437 1,438 1.486,440 2.372,441 1,442 2.386,443 1,444 3.414,445 2,446 1,447 1.327,449 2.275,450 1,451 18.167,452 0.466,453 1.155,454 0.03,455 45.5,456 1.167,457 21,458 0.538,459 24.5,460 0.628,461 41.949,462 1.076,463 43.633,464 0.59,465 41.798,466 1.072,467 9.029,468 0.232,469 9.573,470 0.245,471 0.169,472 0.028,473 0.319,479 0.637,480 1.225,481 0.833,482 1.054,483 0.628,484 0.985,485 0.577,486 1.158,487 0.821,488 1.069,489 0.433,490 0.995,491 0.93,492 1.105,493 0.999,494 1.085,495 0.764,496 1.052,497 0.937,498 1.044,499 1.018,500 1.101,501 0.941,502 1.086,503 0.995,504 1.084,505 1.007,506 1.046,507 0.991,508 1.032,509 0.776,510 1.094,511 0.977,512 1.066,513 0.712,514 1.057,515 1.144,516 0.967,517 1.091,518 0.942,519 1.12,520 0.989,521 0.795,522 0.922,523 0.835,524 0.956,525 0.915,526 0.916,527 8.5,528 0.272,529 5.333,530 3.563,531 2.84,532 2.056,533 0.929,534 0.707,535 0.617,536 0.309,537 25258,538 70432,539 2.001,540 47.3,541 1,542 17,545 5,547 6,548 6,550 1.792,551 1.835,552 3.81,553 2.187,559 115.874,560 1.566,561 3.722,562 4.628,563 5.158,564 5.351,565 5.378,566 3.291,567 4.805,568 5.256,569 4.079,570 3022.22,571 9.256,572 52834,577 459.5,578 1.642,579 5.189,580 0.202,581 0.008,582 0.089,583 0.053,584 0.042,585 0.033,586 0.017,587 0.016,588 0.014,589 0.007,590 0.481,591 0.17,592 0.75,593 0.824,594 220.696,595 0.047,596 0.053,597 0.025,598 0.081,599 -0.05,600 0.051,601 0.125,602 0.004,603 0.073,604 0.02,605 0.173,606 0.037,607 -0.105,608 -0.014,609 -0.068,610 -0.037,611 -0.036,612 -0.039,613 0.005,614 -0.03,615 -0.054,616 -0.081,617 -0.014,618 -0.084,619 -0.091,620 -0.11,621 -0.029,622 -0.053,623 -0.068,624 -0.034,625 0.074,626 -0.116,627 0.003,628 -0.098,629 0.086,630 -0.068,631 -0.152,632 -0.022,633 -0.079,634 -0.011,635 -0.142,636 -0.024,637 0.133,638 0.007,639 0.168,640 0.001,642 0.071,643 2.498,644 6.397,645 0.615,646 49.243,647 1.005,648 1.132,649 2.133,650 4.55,651 0.645,652 3.761,653 4.111,654 4.382,655 4.635,656 4.868,657 4.927,658 4.956,659 5.03,660 5.043,661 4.898,662 9.015,663 0.616,664 533.69,665 3.761,666 5.323,667 6.18,668 7.074,669 7.954,670 8.854,671 9.743,672 10.647,673 11.54,674 12.446,675 6.8,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 74,716 18,717 2,718 42,720 77,721 29,722 12,723 3,724 9,725 6,730 4,731 4,736 2,740 2,741 2,743 3,745 18,746 11,747 2,750 6,752 1,755 4,759 6,764 35,765 9,766 5,767 10,773 5,777 1,778 5,781 1,793 4,804 1,805 1,810 2,811 2,814 1,815 1,817 1,819 4,823 2,827 39,828 1,832 1,833 7,834 2,837 1,838 1,839 1,847 6.8,848 1,850 2,853 2,854 21.25,855 13.433,856 8.556,857 4.425,858 2.703,859 1.334,860 0.936,861 8.982,862 10.789,863 4.007,864 4.564,865 5.037,866 5.515,867 5.979,868 6.172,869 6.445,870 6.733,871 6.976,872 6.735,873 1,874 67,875 14.586,877 6.393,878 7.989,879 27.325,881 22.753,883 2.489,884 97.083,888 353.133,889 149.385,890 77.713,892 143.72,895 149.385,896 496.853,897 77.713,898 23.32,899 66.934,900 145.98,901 65.213,902 18.623,904 353.133,905 50.747,906 353.133,907 227.098,908 143.72,911 211.88,912 191.543,913 93.43,915 105.72,916 110.195,917 11.184,919 353.133,920 221.433,921 149.385,924 353.133,925 46.448,926 111.731,927 36.022,928 176.617,929 353.133,930 221.433,931 149.385,933 0.589,934 0.348,935 0.186,936 0.103,937 27,938 14,939 0.117,940 9,942 1,943 4.733,944 379.319,946 24,947 192.131,951 28.652,952 12.225,953 6.454,955 215.763,956 15.571,961 1.434,963 111.602,964 723.951,965 54,967 -0.498,970 48.042,974 0.747,975 74.4,976 83.767,977 0.252,978 0.599,979 0.745,980 0.831,981 0.862,982 0.866,983 5.278,984 2.023,985 6.205,986 5.614,987 4.796,988 5.252,989 3.121,990 7.081,991 4.755,992 6.496,993 1.704,994 7.816,995 5.47,996 4.575,997 5.156,998 2.555,999 8.326,1000 4.504,1001 7.827,1002 1.481,1003 9.542,1004 4.444,1005 6.482,1006 7.382,1007 4.301,1008 11.41,1009 6.398,1010 9.193,1011 1.352,1012 11.34,1013 3.713,1014 7.083,1015 8.062,1016 4.557,1017 13.509,1018 6.972,1019 10.592,1020 1.211,1021 13.186,1022 2.97,1023 8.516,1024 9.814,1025 5.979,1026 16.199,1027 8.392,1028 12.014,1029 1.048,1030 15.066,1031 2.789,1032 9.47,1033 10.836,1034 6.568,1035 18.6,1036 9.322,1037 13.454,1038 1,1039 16.97,1040 2.638,1041 10.745,1042 12.397,1043 7.801,1044 21.188,1045 10.581,1046 3.441,1047 1,1048 18.894,1049 2.372,1050 11.851,1051 13.585,1052 8.551,1053 23.693,1054 11.664,1055 3.348,1056 13.186,1057 20.832,1058 2.275,1059 13.077,1060 15.057,1061 9.672,1062 26.256,1063 12.871,1064 2.763,1065 12.406,1066 22.782,1067 4.11,1068 14.246,1069 16.333,1070 10.51,1071 28.796,1072 14.019,1073 2.676,1074 9.057,1075 24.74,1076 3.91,1077 15.461,1078 17.761,1079 11.564,1080 31.355,1081 15.213,1082 2.45,1083 8.257,1084 26.706,1085 3.818,1086 16.659,1087 19.084,1088 12.452,1089 33.908,1090 16.388,1091 2.373,1092 7.456,1093 28.678,1094 3.485,1095 17.874,1096 20.492,1097 13.468,1098 36.468,1099 17.582,1100 2.062,1101 6.942,1102 30.655,1103 3.208,1104 19.085,1105 21.842,1106 14.386,1107 39.027,1108 18.77,1109 24273,1110 40802,1111 27.046,1112 47.722,1113 63.764,1114 65.805,1115 66.29,1116 63.113,1117 63.031,1118 79.174,1119 17.385,1120 186.186,1121 61.804,1122 5.641,1123 5.888,1124 7.273,1125 5.448,1126 5.441,1127 7.11,1128 4.612,1129 20.731,1130 5.333,1131 24.295,1132 1.518,1133 1.567,1134 1.578,1135 1.503,1136 1.501,1137 1.885,1138 0.414,1139 4.433,1140 1.472,1141 4.066,1142 4.095,1143 4.021,1144 3.974,1145 7.815,1146 3.979,1147 3.977,1148 4.011,1149 3.904,1150 3.897,1151 7.438,1152 3.894,1153 3.871,1154 3.902,1155 3.836,1156 3.718,1157 7.428,1158 3.733,1159 3.764,1160 3.822,1161 3.652,1162 3.622,1163 6.999,1164 3.621,1165 3.607,1166 3.666,1167 3.514,1168 3.433,1169 6.447,1170 3.438,1171 3.47,1172 3.508,1173 3.429,1174 3.307,1175 4.896,1176 3.308,1177 3.453,1178 3.489,1179 3.341,1180 3.085,1181 4.739,1182 3.156,1183 3.256,1184 3.325,1185 3.141,1186 2.973,1187 4.707,1188 3.005,1189 0.11,1190 0.093,1191 0.178,1192 0.105,1193 0.082,1194 4.641,1195 0.098,1196 3.888,1197 0.062,1198 7.471,1199 0.314,1200 4.408,1201 0.079,1202 3.441,1203 4.11,1204 2.612,1205 13.186,1206 3.333,1207 1.997,1208 1.974,1209 2.096,1210 2.117,1211 1.418,1212 2.1,1213 1.958,1214 1.928,1215 2.082,1216 2.077,1217 1.309,1218 2.084,1219 1.796,1220 1.765,1221 1.953,1222 1.991,1223 1.191,1224 1.957,1225 1.749,1226 1.692,1227 1.904,1228 1.913,1229 1.016,1230 1.924,1231 1.577,1232 1.517,1233 1.819,1234 1.783,1235 0.999,1236 1.794,1237 1.425,1238 1.381,1239 1.672,1240 1.635,1241 0.825,1242 1.634,1243 1.238,1244 1.193,1245 1.513,1246 1.627,1247 0.773,1248 1.55,1249 1.153,1250 1.086,1251 1.477,1252 1.483,1253 0.616,1254 1.469,1255 4.443,1257 5.784,1259 7.326,1261 8.964,1263 10.655,1265 3.477,1269 5.709,1270 11.049,1271 4.757,1272 6.064,1275 -0.748,1276 2.285,1277 -0.805,1280 45.583,1281 115.874,1282 275.447,1283 342.441,1284 381.725,1285 395.99,1286 397.99,1287 124.105,1288 8.086,1289 153.51,1290 153.51,1291 24,1292 12.967,1293 4.248,1294 3.7,1295 70.691,1296 208,1297 229,1298 0.159,1299 281.126,1300 508.93,1301 677.708,1302 42492,1304 28.156,1305 0.722,1306 0.571,1307 28.156,1308 22.275,1309 18.603,1310 0.443,1311 0.312,1312 12.952,1313 17.871,1314 12.616,1315 10.435,1316 18.603,1317 13.117,1318 17.279,1319 0.288,1320 0.17,1321 17.279,1322 10.197,1323 14.037,1324 0.178,1325 0.097,1326 14.037,1327 7.639,1328 11.708,1329 0.115,1330 0.054,1331 11.708,1332 5.527,1333 9.206,1334 0.071,1335 0.03,1336 9.206,1337 3.908,1338 0.257,1339 116.934,1340 0.192,1341 35.585,1342 0.418,1343 204,1344 608.36,1345 224.256,1346 586.682,1347 777.15,1348 540,1349 241,1350 560.569,1351 260.125,1352 563.085,1353 817.23,1354 528,1355 5.33} {0 CHEMBL151420,1 1.592,2 16.333,3 4.774,4 22.79,5 148.385,6 7.46,7 0.535,8 4.361,9 4.479,10 3.932,11 3.878,12 5.466,13 3.866,14 4.906,15 5.09,16 4.28,17 4.259,18 5.974,19 4.233,20 5.118,21 5.31,22 4.337,23 4.428,24 6.186,25 4.367,26 5.218,27 5.435,28 4.308,29 4.478,30 6.212,31 4.386,32 5.255,33 5.483,34 4.297,35 4.462,36 6.243,37 4.371,38 5.215,39 5.444,40 4.236,41 4.413,42 6.211,43 4.315,44 5.19,45 5.437,46 4.186,47 4.333,48 6.181,49 4.233,50 5.136,51 5.379,52 4.156,53 4.218,54 6.245,55 4.154,56 0.089,57 1.106,58 14.433,59 6.472,60 11.327,61 8.367,62 0.427,63 1.773,64 28.532,65 10.359,66 37.629,67 13.826,68 0.661,69 2.067,70 36.116,71 13.251,72 60.045,73 17.665,74 0.385,75 2.18,76 40.263,77 15.456,78 52.571,79 21.338,80 0.566,81 2.21,82 43.438,83 15.739,84 64.135,85 21.608,86 0.641,87 2.213,88 41.718,89 15.021,90 60.975,91 20.656,92 0.545,93 2.121,94 41.7,95 14.966,96 64.849,97 20.725,98 0.678,99 2.027,100 40.6,101 12.85,102 89.853,103 17.332,104 29,105 60,106 0.247,107 0.563,108 0.733,109 0.827,110 0.852,111 0.852,112 3.693,113 0.907,114 -5.71,115 -5.58,116 -5.2,119 42.3,120 2,124 1,125 6,140 10,141 5,142 3,147 1,156 1,159 1,164 1,169 15,171 2,172 7,174 1,176 3,178 19,181 2,182 11,186 3,189 18,193 11,195 1,197 2,199 16,203 9,206 1,208 1,211 17,214 2,215 7,220 1,222 13,225 1,226 11,229 1,231 2,233 7,237 13,242 3,244 4,248 1,249 9,254 1,256 7,259 3159,260 26.471,261 26.471,262 26.471,263 26.471,264 26.471,265 23.66,266 27.671,267 15.631,268 27.03,269 21.184,270 21.184,271 21.184,272 21.184,273 21.184,274 16.862,275 37.753,276 7.397,277 22.083,278 4.557,279 2.517,280 1.422,281 0.814,282 0.652,283 0.652,284 4.396,290 1386,291 3.606,294 135.477,295 583.269,302 2.598,303 36.094,306 0.5,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.74,314 85,315 637,316 4.441,317 3.574,318 6.524,319 4.064,320 3.073,321 4.146,322 1.058,323 10.291,324 3.054,325 4.358,326 3.307,327 6.482,328 4.009,329 3.057,330 3.968,331 0.86,332 10.074,333 2.91,334 4.224,335 3.108,336 6.151,337 3.838,338 2.858,339 3.846,340 0.8,341 9.1,342 2.804,343 4.079,344 2.858,345 6.04,346 3.725,347 2.741,348 3.591,349 0.8,350 8.652,351 2.683,352 3.686,353 2.797,354 5.358,355 3.405,356 2.469,357 3.087,359 6.897,360 2.314,361 3.589,362 2.49,363 5.228,364 3.255,365 2.283,366 2.889,368 6.491,369 2.218,370 3.452,371 2.434,372 5.147,373 3.152,374 2.187,375 2.584,377 6.276,378 2.092,379 3.294,380 2.386,381 4.943,382 2.917,383 2.004,384 2.527,386 5.666,387 1.899,388 3.116,389 2.187,390 4.931,391 2.893,392 1.909,393 2.189,395 5.485,396 1.801,397 2.846,398 2.086,399 4.181,400 2.408,401 1.447,402 1.947,404 3.653,405 1.398,406 2.74,407 1.826,408 4.08,409 2.314,410 1.364,411 1.815,413 3.393,414 1.272,415 2.54,416 1.405,417 4.003,418 2.251,419 1.277,420 1.536,422 3.163,423 1.226,424 2.5,425 1.363,426 3.881,427 2.103,428 1.128,429 1.5,431 2.897,432 1.097,433 2.475,434 1.155,435 3.45,436 2.036,437 1.045,438 1.465,440 2.583,441 1.032,442 2.46,443 1.147,444 3.414,445 2,446 1,447 1.451,449 2.275,450 1,451 18.286,452 0.469,453 0.938,454 0.024,455 50.75,456 1.301,457 25,458 0.641,459 25.75,460 0.66,461 35.319,462 0.906,463 42.314,464 0.596,465 43.281,466 1.11,467 10.322,468 0.265,469 8.584,470 0.22,471 0.116,473 0.345,474 1,479 0.672,480 1.258,481 0.756,482 1.14,483 0.563,484 0.996,485 0.961,486 0.976,487 0.855,488 0.873,489 0.73,490 0.838,491 0.966,492 0.903,493 1.04,494 0.962,495 0.791,496 1,497 0.71,498 0.966,499 0.966,500 1.115,501 0.668,502 1.094,503 0.901,504 0.913,505 0.965,506 0.987,507 0.845,508 0.991,509 0.884,510 0.975,511 1.043,512 1.058,513 0.855,514 1.079,515 0.822,516 1.064,517 0.904,518 1.053,519 0.902,520 1.007,521 1.369,522 1.037,523 1.023,524 0.93,525 1.668,526 0.909,527 8,528 0.207,529 4.889,530 2.472,531 2.161,532 1.399,533 1.13,534 0.738,535 0.444,536 0.324,537 27750,538 74347,539 2.095,540 45.1,541 3,542 25,545 1,546 3,550 1.79,551 1.966,552 3.958,553 -0.383,559 113.061,560 1.592,561 3.633,562 4.727,563 5.336,564 5.498,565 5.498,566 3.414,567 4.888,568 5.255,569 4.172,570 3091.08,571 9.244,572 55161.5,577 436.632,578 1.389,579 5.219,580 0.186,581 0.005,582 0.081,583 0.04,584 0.037,585 0.024,586 0.021,587 0.015,588 0.009,589 0.008,590 0.427,591 0.17,592 0.63,593 0.922,594 222.408,595 0.041,596 -0.157,597 0.067,598 -0.075,599 -0.023,600 -0.015,601 -0.022,602 0.103,603 0.069,604 0.119,605 0.014,606 0.117,607 -0.03,608 0.11,609 -0.108,610 0.038,612 -0.031,613 -0.024,614 -0.077,615 -0.049,616 -0.106,617 0.005,618 -0.086,619 -0.054,620 -0.029,621 -0.007,622 0.008,623 -0.039,624 0.009,626 -0.012,627 -0.081,628 -0.063,629 -0.031,630 -0.085,631 0.06,632 -0.108,633 0.08,634 -0.055,635 0.052,636 0.004,637 -0.11,638 0.007,639 0.019,640 0.029,641 -0.09,642 0.049,643 2.057,644 6.085,645 0.744,646 53.897,647 1.005,648 1.131,649 4.483,650 20.101,651 0.662,652 3.784,653 4.111,654 4.382,655 4.635,656 4.868,657 4.956,658 5.118,659 5.22,660 5.283,661 5.389,662 9.485,663 0.634,664 529.67,665 3.784,666 5.333,667 6.184,668 7.06,669 7.928,670 8.809,671 9.683,672 10.565,673 11.442,674 12.325,675 7,678 1,681 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,709 1,712 1,714 71,716 24,717 3,718 43,720 75,721 30,722 20,723 8,724 10,725 1,727 1,730 5,731 5,736 3,745 21,746 9,750 1,755 1,759 1,762 1,764 32,765 9,766 1,767 9,773 5,777 1,778 3,792 1,793 4,815 1,819 5,823 3,825 1,827 39,833 6,834 1,835 1,838 2,846 1,847 4.2,850 1,852 2,854 19.833,855 13.776,856 8.583,857 4.245,858 4.122,859 1.483,860 0.988,861 8.369,862 12.652,863 4.034,864 4.623,865 5.196,866 5.763,867 6.268,868 6.567,869 7.014,870 7.373,871 7.721,872 8.119,873 0.909,874 62,875 14.439,877 6.099,878 7.752,879 27.614,881 22.501,883 2.252,884 87.833,888 364.904,889 181.032,890 60.642,892 45.879,893 14.96,895 181.032,896 410.783,897 75.602,898 26.047,899 39.496,900 94.762,901 71.252,902 55.995,903 14.96,904 364.904,906 364.904,907 241.673,908 60.839,911 382.192,912 45.879,915 65.291,916 137.673,917 36.382,919 379.864,920 106.52,921 181.032,924 364.904,925 60.223,926 127.058,927 18.011,928 97.221,929 364.904,930 121.481,931 181.032,933 0.581,934 0.338,935 0.18,936 0.102,937 28,938 13,939 0.093,940 7,942 1,943 4.959,944 378.826,946 29,947 198.131,951 27.013,952 12.082,953 6.364,955 121.481,956 19.031,957 8.284,959 5.091,961 7.806,963 18.011,964 667.417,965 55.5,970 13.085,974 -0.206,975 71.374,976 80.272,977 0.259,978 0.591,979 0.769,980 0.868,981 0.894,982 0.894,983 5.277,984 2.004,985 6.168,986 6.276,987 4.796,988 5.311,989 1.893,990 6.969,991 4.726,992 6.475,993 1.909,994 7.722,995 5.666,996 4.369,997 5.075,998 0.57,999 7.84,1000 4.278,1001 7.775,1002 1.447,1003 9.373,1004 5.485,1005 6.385,1006 7.471,1007 1.709,1008 10.923,1009 6.259,1010 9.11,1011 1.364,1012 11.081,1013 3.653,1014 6.77,1015 8.053,1016 0.479,1017 12.615,1018 6.625,1019 10.476,1020 1.277,1021 12.825,1022 3.393,1023 8.244,1024 9.914,1025 1.641,1026 15.203,1027 8.072,1028 11.864,1029 1.128,1030 14.595,1031 3.163,1032 9,1033 10.879,1034 0.346,1035 17.237,1036 8.811,1037 13.268,1038 1.045,1039 16.383,1040 2.897,1041 10.254,1042 12.505,1043 1.626,1044 19.648,1045 10.041,1046 3.073,1047 1,1048 18.184,1049 2.583,1050 11.189,1051 13.666,1052 0.237,1053 21.832,1054 10.958,1055 3.057,1056 10.291,1057 19.997,1058 2.275,1059 12.35,1060 15.178,1061 1.645,1062 24.176,1063 12.097,1064 2.858,1065 10.074,1066 21.817,1067 4.146,1068 13.371,1069 16.443,1070 0.158,1071 26.427,1072 13.1,1073 2.741,1074 9.1,1075 23.645,1076 3.968,1077 14.494,1078 17.897,1079 1.689,1080 28.748,1081 14.203,1082 2.469,1083 8.652,1084 25.478,1085 3.846,1086 15.557,1087 19.22,1088 0.104,1089 31.03,1090 15.247,1091 2.283,1092 6.897,1093 27.316,1094 3.591,1095 16.666,1096 20.645,1097 1.749,1098 33.343,1099 16.337,1100 2.187,1101 6.491,1102 29.158,1103 3.087,1104 17.751,1105 22,1106 0.068,1107 35.64,1108 17.402,1109 25996,1110 42752,1111 28.838,1112 46.989,1113 64.716,1114 66.099,1115 66.344,1116 63.982,1117 63.967,1118 82.121,1119 7.037,1120 183.399,1121 61.621,1122 5.441,1123 5.574,1124 6.386,1125 5.132,1126 5.073,1127 7.146,1128 2.117,1129 17.11,1130 5.054,1131 19.867,1132 1.505,1133 1.537,1134 1.543,1135 1.488,1136 1.488,1137 1.91,1138 0.164,1139 4.265,1140 1.433,1141 4.065,1142 4.091,1143 4.022,1144 4.001,1145 8.196,1146 4.001,1147 3.966,1148 4.002,1149 3.917,1150 3.86,1151 7.429,1152 3.869,1153 3.865,1154 3.895,1155 3.825,1156 3.753,1157 5.295,1158 3.76,1159 3.745,1160 3.806,1161 3.651,1162 3.556,1163 4.849,1164 3.564,1165 3.684,1166 3.715,1167 3.611,1168 3.467,1169 4.779,1170 3.51,1171 3.506,1172 3.567,1173 3.382,1174 3.262,1175 4.546,1176 3.276,1177 3.297,1178 3.35,1179 3.23,1180 3.094,1181 4.369,1182 3.118,1183 3.18,1184 3.263,1185 3.011,1186 3.026,1187 4.326,1188 3.006,1189 0.103,1190 0.083,1191 0.152,1192 0.095,1193 0.071,1194 4.441,1195 0.096,1196 3.574,1197 0.025,1198 6.524,1199 0.239,1200 4.064,1201 0.071,1202 3.073,1203 4.146,1204 1.058,1205 10.291,1206 3.054,1207 2.013,1208 1.994,1209 2.099,1210 2.085,1211 1.305,1212 2.087,1213 1.918,1214 1.889,1215 2.034,1216 2.057,1217 1.244,1218 2.057,1219 1.799,1220 1.774,1221 1.924,1222 1.928,1223 1.066,1224 1.928,1225 1.704,1226 1.636,1227 1.885,1228 1.867,1229 1.006,1230 1.874,1231 1.44,1232 1.386,1233 1.704,1234 1.705,1235 0.924,1236 1.704,1237 1.432,1238 1.371,1239 1.695,1240 1.698,1241 0.825,1242 1.688,1243 1.267,1244 1.223,1245 1.552,1246 1.499,1247 0.736,1248 1.501,1249 1.202,1250 1.137,1251 1.54,1252 1.471,1253 0.641,1254 1.494,1255 4.466,1257 5.79,1258 2.398,1259 7.303,1260 4.595,1261 8.902,1262 6.555,1263 10.545,1265 5.888,1267 12.78,1271 2.943,1272 3,1273 5.655,1276 4.476,1280 45.01,1281 113.061,1282 257.955,1283 335.638,1284 378.858,1285 390.367,1286 390.367,1287 70.515,1288 8.53,1289 83.73,1290 83.73,1291 29,1292 12.86,1293 4.644,1294 3.755,1295 61.83,1296 225,1297 224,1298 0.132,1299 273.603,1300 477.92,1301 659.352,1302 72129,1303 1.4,1304 27.355,1305 0.701,1306 0.575,1307 26.648,1308 22.408,1309 18.906,1310 0.44,1311 0.302,1312 12.786,1313 18.03,1314 12.417,1315 10.278,1316 18.406,1317 13.005,1318 17.046,1319 0.284,1320 0.162,1321 16.692,1322 9.708,1323 14.361,1324 0.182,1325 0.087,1326 14.092,1327 6.866,1328 11.819,1329 0.116,1330 0.046,1331 11.723,1332 4.708,1333 9.633,1334 0.075,1335 0.026,1336 9.476,1337 3.314,1338 0.214,1339 119.434,1340 0.186,1341 35.857,1342 0.341,1343 206,1344 656.231,1345 228.125,1346 601.058,1347 820.06,1348 566,1349 242,1350 600.429,1351 264.427,1352 601.609,1353 877.89,1354 565,1355 6.222} {0 CHEMBL151502,1 1.235,2 7.059,3 3.286,4 10.795,5 71.963,6 6.172,7 0.526,8 3.683,9 3.83,10 3.101,11 3.26,12 4.584,13 3.193,14 4.263,15 4.46,16 3.435,17 3.712,18 5.051,19 3.6,20 4.556,21 4.824,22 3.371,23 3.804,24 5.252,25 3.633,26 4.496,27 4.771,28 3.287,29 3.719,30 5.216,31 3.547,32 4.398,33 4.668,34 3.135,35 3.601,36 5.14,37 3.415,38 4.299,39 4.586,40 2.962,41 3.448,42 4.988,43 3.257,44 4.148,45 4.435,46 2.717,47 3.256,48 4.814,49 3.049,50 4.056,51 4.392,52 2.132,53 2.972,54 4.627,55 2.682,56 0.054,57 0.536,58 9.125,59 3.649,60 6.685,61 5.355,62 0.085,63 0.894,64 16.123,65 6.684,66 9.736,67 9.722,68 0.116,69 1.077,70 21.222,71 8.665,72 15.172,73 12.698,74 0.118,75 1.006,76 19.986,77 7.949,78 16.562,79 11.746,80 0.133,81 0.916,82 18.178,83 7.201,84 17.496,85 10.606,86 0.11,87 0.812,88 16.435,89 6.16,90 14.109,91 9.285,92 0.1,93 0.694,94 14.148,95 5.118,96 10.996,97 7.811,98 0.098,99 0.577,100 12.704,101 4.461,102 10.07,103 6.883,104 4,105 26,106 0.226,107 0.58,108 0.762,109 0.825,110 0.825,111 0.825,112 2.909,113 1.055,114 -3.78,115 -3.74,116 -3.55,119 40.5,121 5,122 1,125 1,140 3,141 3,149 1,150 1,161 1,162 1,163 1,169 12,176 4,178 15,180 1,186 4,189 13,191 1,197 2,199 12,201 1,207 1,208 2,210 1,211 8,213 1,220 4,222 4,224 2,231 4,233 2,235 2,242 2,246 2,254 2,258 2,259 278,260 11.939,261 11.939,262 11.939,263 11.939,264 11.939,265 10.834,266 8.238,267 7.212,268 12.012,269 9.368,270 9.368,271 9.368,272 9.368,273 9.368,274 7.633,275 4.412,276 3.338,277 9.486,278 3.974,279 2.044,280 1.047,281 0.703,282 0.703,283 0.703,284 3.588,288 1,289 1,290 261,291 2.121,294 73.449,295 37.296,298 59.499,302 1.017,303 6.998,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 35,315 120,316 4.56,317 3.224,318 6.565,319 4.107,320 3.118,321 4.508,323 10.43,324 3.086,325 3.948,326 2.954,327 6.095,328 3.748,329 2.752,330 3.292,332 8.884,333 2.741,334 3.38,335 2.197,336 5.128,337 3.03,338 2.039,339 2.701,341 5.994,342 2.019,343 3.021,344 1.803,345 4.514,346 2.764,347 1.777,348 2.117,350 4.654,351 1.753,352 2.717,353 1.391,354 4.129,355 2.303,356 1.321,357 1.799,359 3.445,360 1.296,361 2.325,362 1.18,363 3.364,364 2.05,365 1.089,366 1.288,368 2.234,369 1.044,370 2.036,371 0.936,372 3.245,373 1.864,374 0.875,375 0.983,377 1.892,378 0.865,379 1.843,380 0.638,381 3.017,382 1.618,383 0.618,384 0.711,386 1.372,387 0.618,388 1.618,389 0.618,390 3,391 1.519,392 0.557,393 0.618,395 1.188,396 0.535,397 0.914,398 -0.092,399 2.435,400 0.623,401 -0.338,402 -0.394,404 -0.62,405 -0.324,406 0.668,407 -0.594,408 2.127,409 0.259,410 -0.726,411 -0.9,413 -1.693,414 -0.714,415 0.411,416 -0.895,417 2,418 0.058,419 -0.926,420 -1.312,422 -2.672,423 -0.912,424 -0.084,425 -1.174,426 1.779,427 -0.357,428 -1.34,429 -1.478,431 -3.035,432 -1.31,433 -0.216,434 -1.396,435 1.431,436 -0.514,437 -1.494,438 -1.618,440 -3.975,441 -1.468,442 -0.42,443 -1.618,444 1,445 -0.618,446 -1.618,447 -1.784,449 -4.372,450 -1.618,451 8.3,452 0.488,453 0.291,454 0.017,455 18.25,456 1.074,457 8,458 0.471,459 10.25,460 0.603,461 14.399,462 0.847,463 18.7,464 0.505,465 9.536,466 0.561,467 3.071,468 0.181,469 5.31,470 0.312,471 0.048,473 0.301,479 1.283,480 1.092,481 1.019,482 0.999,483 1.258,484 0.993,485 0.921,486 1.123,487 1.045,488 1.106,489 0.823,490 1.088,491 0.738,492 1.019,493 0.967,494 1.038,495 0.688,496 1.022,497 0.845,498 0.99,499 0.958,500 0.995,501 0.767,502 0.986,503 0.792,504 1.093,505 1.073,506 1.139,507 0.945,508 1.127,509 1.099,510 1.071,511 1.059,512 1.056,513 1.04,514 1.055,515 1.266,516 1.196,517 1.181,518 1.171,519 1.021,520 1.17,521 1.299,522 0.999,523 1.134,524 1.038,525 1.174,526 1.068,527 2.5,529 2,530 0.757,531 0.623,532 0.493,533 0.222,534 0.069,535 0.031,536 0.025,537 2363,538 4077,539 2.163,540 54.1,541 9,542 5,543 1,545 3,547 2,550 1.571,551 2.082,552 2.861,553 1.078,555 1,556 1,557 1,559 45.708,560 1.235,561 3.166,562 4.162,563 4.507,564 4.507,565 4.507,566 2.257,567 3.617,568 4.058,569 2.931,570 398.683,571 6.871,572 3525.01,573 1,574 1,576 1,577 192.75,578 1.166,579 4.043,580 0.132,582 0.077,583 0.033,584 0.03,585 0.029,586 0.016,587 0.007,588 0.008,589 0.012,590 0.343,591 1,592 1,593 0.962,594 69.358,595 -0.117,596 0.145,597 0.04,598 0.12,599 -0.092,600 0.096,601 -0.06,602 -0.008,603 -0.038,604 -0.02,605 -0.018,606 -0.026,607 0.007,608 -0.042,609 -0.005,610 -0.024,611 0.048,612 -0.017,613 -0.007,614 -0.015,615 0.009,616 0.001,617 -0.012,618 0.006,619 0.101,620 -0.11,621 -0.103,622 -0.147,623 -0.001,624 -0.14,625 -0.065,626 -0.101,627 -0.085,628 -0.097,629 -0.064,630 -0.093,631 -0.114,632 -0.221,633 -0.201,634 -0.228,635 -0.087,636 -0.222,637 -0.151,638 -0.111,639 -0.18,640 -0.154,641 -0.097,642 -0.166,643 0.777,644 1.657,645 0.824,646 10.138,647 0.977,648 1.128,649 2.546,650 6.483,651 0.645,652 2.996,653 3.296,654 3.611,655 3.892,656 4.007,657 4.127,658 4.234,659 4.29,660 4.19,661 4.043,662 4.29,663 0.589,664 228.37,665 2.996,666 4.511,667 5.371,668 6.248,669 7.128,670 8.015,671 8.902,672 9.791,673 10.681,674 11.572,675 5.4,676 1,683 1,687 2,688 4,690 1,693 2,695 10,714 37,716 10,717 1,718 19,720 39,721 15,722 8,723 3,724 3,730 3,731 4,736 1,740 4,741 1,743 5,745 8,746 7,747 1,761 1,764 20,765 1,766 3,767 2,773 2,777 0.667,788 1,792 2,793 1,796 1,812 1,819 2,827 17,828 1,833 6,837 1,854 8.167,855 6.25,856 3.833,857 2.507,858 2.084,859 1.325,860 1.021,861 2.998,862 8.494,863 3.219,864 3.812,865 4.462,866 5.092,867 5.577,868 5.947,869 6.338,870 6.66,871 6.534,872 6.536,873 0.8,874 23,875 6.316,877 2.674,878 7.353,879 12.824,881 11.168,883 1.853,884 31.5,885 0.007,888 200.109,889 63.343,890 49.683,895 63.343,896 200.109,897 49.683,899 47.676,900 37.476,902 25.73,903 13.915,904 188.338,906 200.109,907 113.025,911 176.567,912 23.542,915 64.461,916 48.564,919 200.109,920 49.683,921 63.343,924 200.109,925 25.867,926 37.476,927 16.786,928 32.897,929 200.109,930 49.683,931 63.343,933 0.565,934 0.342,935 0.198,936 0.098,937 14,938 5,939 0.077,940 3,941 1,942 1.143,943 3.019,944 121.584,945 0.143,946 14,947 62.732,951 11.001,952 4.633,953 2.03,954 2.62,955 32.897,956 9.007,958 3.335,961 2.884,963 49.683,964 313.134,965 24,975 36.156,976 41.733,977 0.237,978 0.608,979 0.799,980 0.865,981 0.865,982 0.865,983 4.437,984 0.618,985 5.333,986 1.892,987 3.97,988 4.494,990 6.146,991 3.948,992 5.616,993 0.557,994 6.884,995 1.372,996 3.434,997 4.311,999 7.05,1000 3.414,1001 6.919,1002 -0.338,1003 8.542,1004 1.188,1005 5.549,1006 6.75,1008 10.169,1009 5.512,1010 8.271,1011 -0.726,1012 10.265,1013 -0.62,1014 5.943,1015 7.516,1017 11.941,1018 5.904,1019 9.663,1020 -0.926,1021 12.029,1022 -1.693,1023 7.444,1024 9.382,1026 14.536,1027 7.392,1028 11.082,1029 -1.34,1030 13.82,1031 -2.672,1032 8.245,1033 10.562,1035 16.637,1036 8.187,1037 12.522,1038 -1.494,1039 15.63,1040 -3.035,1041 9.51,1042 12.21,1044 19.058,1045 9.442,1046 3.118,1047 -1.618,1048 17.453,1049 -3.975,1050 10.491,1051 13.573,1053 21.291,1054 10.414,1055 2.752,1056 10.43,1057 19.286,1058 -4.372,1059 11.665,1060 15.136,1062 23.652,1063 11.578,1064 2.039,1065 8.884,1066 21.126,1067 4.508,1068 12.724,1069 16.579,1071 25.941,1072 12.627,1073 1.777,1074 5.994,1075 22.972,1076 3.292,1077 13.864,1078 18.107,1080 28.281,1081 13.757,1082 1.321,1083 4.654,1084 24.822,1085 2.701,1086 14.958,1087 19.585,1089 30.595,1090 14.841,1091 1.089,1092 3.445,1093 26.676,1094 2.117,1095 16.087,1096 21.099,1098 32.93,1099 15.959,1100 0.875,1101 2.234,1102 28.533,1103 1.799,1104 17.197,1105 22.593,1107 35.256,1108 17.059,1109 2315,1110 3095,1111 13.118,1112 23.864,1113 28.161,1114 28.215,1115 28.852,1116 28.292,1117 28.291,1118 36.033,1120 80.189,1121 27.913,1122 5.451,1123 5.224,1124 6.332,1125 5.124,1126 5.118,1127 7.508,1129 17.09,1130 5.086,1131 5.042,1132 1.482,1133 1.485,1134 1.519,1135 1.489,1136 1.489,1137 1.896,1139 4.22,1140 1.469,1141 4.146,1142 4.179,1143 4.1,1144 4.072,1145 5.028,1146 4.074,1147 3.844,1148 3.899,1149 3.717,1150 3.74,1151 4.931,1152 3.728,1153 3.53,1154 3.609,1155 3.378,1156 3.389,1157 4.36,1158 3.378,1159 3.303,1160 3.38,1161 3.164,1162 3.107,1163 4.092,1164 3.11,1165 2.956,1166 3.033,1167 2.815,1168 2.818,1169 3.785,1170 2.807,1171 2.869,1172 2.979,1173 2.583,1174 2.671,1175 3.428,1176 2.635,1177 2.736,1178 2.846,1179 2.511,1180 2.541,1181 3.209,1182 2.521,1183 2.636,1184 2.761,1185 2.369,1186 2.32,1187 3.207,1188 2.315,1189 0.24,1190 0.17,1191 0.346,1192 0.216,1193 0.164,1194 4.56,1195 0.237,1196 3.224,1198 6.565,1199 0.549,1200 4.107,1201 0.162,1202 3.118,1203 4.508,1205 10.43,1206 3.086,1207 1.974,1208 1.953,1209 2.069,1210 2.044,1211 1.345,1212 2.053,1213 1.658,1214 1.602,1215 1.867,1216 1.846,1217 1.211,1218 1.856,1219 1.577,1220 1.507,1221 1.86,1222 1.751,1223 1.153,1224 1.793,1225 1.526,1226 1.469,1227 1.739,1228 1.7,1229 0.957,1230 1.718,1231 1.261,1232 1.171,1233 1.512,1234 1.527,1235 0.554,1236 1.535,1237 0.914,1238 0.847,1239 1.175,1240 1.149,1241 0.271,1242 1.169,1243 0.729,1244 0.654,1245 1.066,1246 0.959,1247 0.129,1248 1.002,1249 0.508,1250 0.366,1251 0.921,1252 0.81,1253 0.094,1254 0.855,1255 3.664,1257 4.963,1258 3.045,1259 6.46,1260 5.283,1261 8.053,1262 7.286,1263 9.7,1269 5.657,1271 7.204,1275 0.792,1280 21.784,1281 45.708,1282 117.134,1283 153.995,1284 166.75,1285 166.75,1286 166.75,1287 18.863,1288 6.41,1289 41.81,1290 41.81,1291 16,1292 12.101,1293 3.459,1294 2.585,1295 23.676,1296 44,1297 45,1298 0.281,1299 134.354,1300 220.62,1301 319.585,1302 4205,1304 11.665,1305 0.686,1306 0.6,1307 11.665,1308 10.207,1309 8.381,1310 0.441,1311 0.352,1312 6.651,1313 8.268,1314 6.515,1315 5.403,1316 8.381,1317 6.682,1318 7.168,1319 0.276,1320 0.198,1321 7.168,1322 5.139,1323 6.328,1324 0.176,1325 0.112,1326 6.328,1327 4.032,1328 5.466,1329 0.114,1330 0.064,1331 5.466,1332 3.071,1333 3.902,1334 0.072,1335 0.032,1336 3.902,1337 1.746,1338 0.421,1339 51.096,1340 0.276,1341 16.906,1342 0.825,1343 90,1344 161.645,1345 92.415,1346 166.313,1347 240.1,1348 158,1349 107,1350 185.394,1351 109.498,1352 191.918,1353 282.76,1354 183,1355 8.77} {0 CHEMBL151668,1 1.576,2 15.857,3 2.846,4 8.099,5 159.975,6 7.394,7 0.267,8 4.441,9 4.555,10 3.98,11 3.942,12 5.599,13 3.926,14 4.994,15 5.162,16 4.352,17 4.363,18 6.208,19 4.323,20 5.289,21 5.48,22 4.524,23 4.603,24 6.338,25 4.546,26 5.519,27 5.716,28 4.621,29 4.697,30 6.696,31 4.635,32 5.598,33 5.814,34 4.562,35 4.703,36 6.737,37 4.621,38 5.568,39 5.815,40 4.453,41 4.625,42 6.706,43 4.513,44 5.508,45 5.776,46 4.208,47 4.475,48 6.51,49 4.35,50 5.288,51 5.542,52 4.19,53 4.312,54 6.328,55 4.211,56 0.198,57 1.106,58 16.129,59 7.27,60 19.553,61 9.394,62 0.656,63 1.781,64 31.027,65 12.141,66 100.338,67 16.446,68 0.462,69 2.332,70 42.182,71 16.39,72 72.973,73 22.366,74 1.041,75 2.659,76 56.395,77 20.056,78 157.044,79 26.733,80 1.221,81 2.767,82 63.161,83 21.027,84 187.068,85 28.663,86 1.195,87 2.704,88 62.093,89 20.162,90 188.57,91 29.347,92 1.219,93 2.414,94 61.247,95 17.931,96 187.499,97 26.224,98 0.899,99 1.991,100 47.704,101 15.333,102 119.518,103 22.036,104 92,105 64,106 0.24,107 0.574,108 0.732,109 0.805,110 0.833,111 0.845,112 3.765,113 0.926,114 -4.17,115 -4.11,116 -3.89,119 39.7,120 2,121 3,122 1,123 1,124 1,125 4,135 2,137 2,140 9,141 2,142 1,156 3,164 2,165 1,168 1,169 16,170 1,171 2,172 9,174 2,176 7,178 22,179 1,182 15,186 3,187 1,189 19,190 3,193 17,195 3,196 2,197 7,199 17,200 2,202 2,203 13,204 1,208 6,209 1,211 8,212 3,214 2,215 15,218 2,219 1,220 11,222 8,226 8,227 1,231 1,233 4,234 1,236 2,237 8,238 2,240 4,242 2,244 7,248 4,249 7,250 1,252 8,254 2,256 4,259 3748,260 27.835,261 27.835,262 27.835,263 27.835,264 27.835,265 25.092,266 40.992,267 16.129,268 28.278,269 22.014,270 22.014,271 22.014,272 22.014,273 22.014,274 17.854,275 53.369,276 7.375,277 22.528,278 4.71,279 2.521,280 1.485,281 1.007,282 0.824,283 0.747,284 4.451,290 1407,291 4.95,295 640.426,302 2.116,303 65.253,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 93,315 666,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.11,322 2.612,323 14.979,324 3.59,325 4.641,326 3.903,327 7.131,328 4.343,329 3.348,330 3.972,331 2.491,332 12.406,333 3.328,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.437,341 9.057,342 2.693,343 4.091,344 3.566,345 5.942,346 3.677,347 2.676,348 3.485,349 1.36,350 8.257,351 2.665,352 3.767,353 3.162,354 5.702,355 3.382,356 2.456,357 3.208,358 1.058,359 7.456,360 2.322,361 3.631,362 3.053,363 5.46,364 3.352,365 2.373,366 3.04,367 0.8,368 6.944,369 2.278,370 3.461,371 2.764,372 5.337,373 3.167,374 2.176,375 2.483,376 0.759,377 6.11,378 2.143,379 3.347,380 2.745,381 5.011,382 3.033,383 2.056,384 2.433,385 0.473,386 5.614,387 1.991,388 3.097,389 2.376,390 4.616,391 2.692,392 1.716,393 2.154,394 0.359,395 4.446,396 1.663,397 3.014,398 2.154,399 4.579,400 2.615,401 1.644,402 2.114,404 4.065,405 1.577,406 3.005,407 2.009,408 4.366,409 2.472,410 1.48,411 2.104,413 3.712,414 1.458,415 2.597,416 1.702,417 3.802,418 2.35,419 1.351,420 1.598,422 2.968,423 1.345,424 2.5,425 1.632,426 3.767,427 2.153,428 1.167,429 1.5,431 2.757,432 1.146,433 2.5,434 1.461,435 3.678,436 2.043,437 1.044,438 1.5,440 2.611,441 1.038,442 2.492,443 1.264,444 3.582,445 2,446 1,447 1.458,449 2.372,450 1,451 19.433,452 0.463,453 1.174,454 0.028,455 49,456 1.167,457 22.5,458 0.536,459 26.5,460 0.631,461 46.137,462 1.098,463 47.167,464 0.605,465 47.664,466 1.135,467 9.9,468 0.236,469 10.184,470 0.242,471 0.18,472 0.026,473 0.324,479 0.62,480 1.278,481 0.79,482 1.121,483 0.567,484 1.011,485 0.575,486 1.073,487 0.809,488 0.972,489 0.395,490 0.937,491 0.717,492 1.135,493 0.904,494 1.113,495 0.614,496 1.046,497 1.04,498 1.064,499 1.034,500 1.109,501 1.033,502 1.082,503 1.148,504 1.074,505 1.089,506 1.061,507 1.119,508 1.069,509 0.74,510 1.116,511 0.972,512 1.099,513 0.68,514 1.085,515 1.098,516 0.91,517 1.069,518 0.892,519 1.058,520 0.954,521 0.812,522 0.992,523 0.885,524 1.009,525 0.914,526 0.976,527 9,528 0.305,529 6,530 4.063,531 3.08,532 2.319,533 1.11,534 0.766,535 0.641,536 0.309,537 30065,538 90434,539 1.987,540 46.2,541 1,542 20,545 3,547 10,548 2,550 1.81,551 1.819,552 3.821,553 0.748,559 122.913,560 1.576,561 3.765,562 4.801,563 5.279,564 5.461,565 5.538,566 3.3,567 4.755,568 5.367,569 4.109,570 3537.55,571 9.476,572 65518.1,577 490.261,578 1.646,579 5.294,580 0.2,581 0.008,582 0.094,583 0.054,584 0.039,585 0.032,586 0.018,587 0.016,588 0.013,589 0.006,590 0.481,591 0.33,592 0.63,593 1.005,594 242.736,595 0.047,596 -0.021,597 0.035,598 0.02,599 -0.02,600 0.019,601 0.157,602 0.077,603 0.078,604 0.103,605 0.198,606 0.081,607 -0.045,608 -0.016,609 -0.012,610 -0.051,611 0.002,612 -0.021,613 -0.056,614 -0.04,615 -0.072,616 -0.088,617 -0.049,618 -0.087,619 -0.124,620 -0.098,621 -0.102,622 -0.065,623 -0.107,624 -0.08,625 0.08,626 -0.141,627 0.006,628 -0.123,629 0.095,630 -0.083,631 -0.142,632 0.017,633 -0.045,634 0.038,635 -0.127,636 0.024,637 0.072,638 -0.048,639 0.113,640 -0.045,641 -0.028,642 0.022,643 2.843,644 6.446,645 0.571,646 52.785,647 1.011,648 1.13,649 2.938,650 8.632,651 0.646,652 3.829,653 4.174,654 4.477,655 4.736,656 4.956,657 5.037,658 5.075,659 5.118,660 5.094,661 4.942,662 9.369,663 0.622,664 576.71,665 3.829,666 5.389,667 6.256,668 7.154,669 8.045,670 8.951,671 9.85,672 10.761,673 11.664,674 12.576,675 5.1,677 1,678 1,682 1,686 1,688 9,693 3,695 12,708 1,714 78,716 19,717 2,718 45,720 81,721 31,722 12,723 3,724 9,725 6,730 4,731 4,736 2,737 1,739 1,740 2,741 1,743 3,745 19,746 12,747 1,750 7,752 1,755 5,759 7,764 36,765 10,766 3,767 11,773 4,777 1,778 7,793 4,805 1,807 1,808 1,810 2,811 2,814 1,815 1,817 1,819 4,823 3,827 42,832 1,833 7,834 2,835 1,837 1,838 1,839 1,847 9,849 1,850 3,852 1,853 2,854 23.083,855 14.683,856 9.389,857 4.654,858 2.648,859 1.322,860 0.927,861 10.074,862 10.861,863 4.078,864 4.625,865 5.112,866 5.585,867 6.039,868 6.25,869 6.526,870 6.808,871 6.997,872 6.744,873 1,874 75,875 15.731,877 6.886,878 8.054,879 29.219,881 24.094,883 2.554,884 107.25,888 388.446,889 163.665,890 44.816,892 179.865,895 163.665,896 568.311,897 44.816,898 34.204,899 34.037,900 103.297,901 136.437,902 29.623,904 388.446,905 50.747,906 388.446,907 208.48,908 179.865,911 247.193,912 270.371,913 50.747,915 72.823,916 124.474,917 11.184,919 388.446,920 224.681,921 163.665,924 388.446,925 49.845,926 122.614,927 36.022,928 179.865,929 388.446,930 224.681,931 163.665,933 0.585,934 0.357,935 0.195,936 0.106,937 28,938 15,939 0.136,940 11,942 1,943 4.873,944 422.653,946 24,947 212.477,951 31.265,952 13.533,953 6.713,955 219.011,956 15.311,961 1.313,963 78.705,964 776.792,965 58,967 -0.528,970 60.752,974 -0.598,975 78.836,976 88.102,977 0.251,978 0.599,979 0.764,980 0.84,981 0.869,982 0.881,983 5.347,984 2.056,985 6.279,986 6.11,987 4.86,988 5.313,989 3.546,990 7.177,991 4.822,992 6.563,993 1.716,994 7.904,995 5.614,996 4.635,997 5.223,998 3.058,999 8.513,1000 4.595,1001 7.897,1002 1.644,1003 9.65,1004 4.446,1005 6.558,1006 7.443,1007 4.866,1008 11.642,1009 6.498,1010 9.268,1011 1.48,1012 11.475,1013 4.065,1014 7.186,1015 8.144,1016 5.149,1017 13.889,1018 7.135,1019 10.676,1020 1.351,1021 13.353,1022 3.712,1023 8.632,1024 9.883,1025 6.524,1026 16.653,1027 8.567,1028 12.109,1029 1.167,1030 15.273,1031 2.968,1032 9.627,1033 10.928,1034 7.134,1035 19.203,1036 9.572,1037 13.561,1038 1.044,1039 17.222,1040 2.757,1041 10.922,1042 12.48,1043 8.308,1044 21.894,1045 10.862,1046 3.6,1047 1,1048 19.196,1049 2.611,1050 12.071,1051 13.688,1052 9.072,1053 24.537,1054 12.016,1055 3.348,1056 14.979,1057 21.187,1058 2.372,1059 13.326,1060 15.156,1061 10.143,1062 27.221,1063 13.269,1064 2.763,1065 12.406,1066 23.193,1067 4.11,1068 14.538,1069 16.446,1070 10.987,1071 29.896,1072 14.483,1073 2.676,1074 9.057,1075 25.211,1076 3.972,1077 15.788,1078 17.875,1079 12.004,1080 32.583,1081 15.731,1082 2.456,1083 8.257,1084 27.238,1085 3.91,1086 17.027,1087 19.209,1088 12.891,1089 35.271,1090 16.97,1091 2.373,1092 7.456,1093 29.272,1094 3.485,1095 18.28,1096 20.618,1097 13.877,1098 37.964,1099 18.222,1100 2.176,1101 6.944,1102 31.311,1103 3.208,1104 19.531,1105 21.977,1106 14.789,1107 40.658,1108 19.472,1109 29118,1110 50774,1111 28.838,1112 50.387,1113 67.954,1114 70.902,1115 72.165,1116 67.163,1117 67.173,1118 84.32,1119 22.697,1120 199.364,1121 65.828,1122 5.705,1123 6.2,1124 7.745,1125 5.639,1126 5.6,1127 7.11,1128 4.612,1129 22.771,1130 5.59,1131 27.276,1132 1.51,1133 1.576,1134 1.604,1135 1.493,1136 1.493,1137 1.874,1138 0.504,1139 4.43,1140 1.463,1141 4.069,1142 4.098,1143 4.023,1144 3.977,1145 7.815,1146 3.982,1147 3.995,1148 4.026,1149 3.931,1150 3.918,1151 7.475,1152 3.916,1153 3.869,1154 3.899,1155 3.835,1156 3.716,1157 7.432,1158 3.732,1159 3.766,1160 3.822,1161 3.658,1162 3.633,1163 7.428,1164 3.631,1165 3.62,1166 3.673,1167 3.526,1168 3.448,1169 6.999,1170 3.452,1171 3.472,1172 3.497,1173 3.428,1174 3.306,1175 6.351,1176 3.315,1177 3.464,1178 3.49,1179 3.397,1180 3.093,1181 4.762,1182 3.157,1183 3.374,1184 3.418,1185 3.249,1186 3.083,1187 4.716,1188 3.124,1189 0.105,1190 0.093,1191 0.177,1192 0.102,1193 0.08,1194 4.705,1195 0.091,1196 4.2,1197 0.058,1198 7.943,1199 0.333,1200 4.599,1201 0.08,1202 3.6,1203 4.11,1204 2.612,1205 14.979,1206 3.59,1207 1.995,1208 1.974,1209 2.108,1210 2.116,1211 1.452,1212 2.101,1213 1.977,1214 1.949,1215 2.081,1216 2.089,1217 1.308,1218 2.093,1219 1.794,1220 1.764,1221 1.953,1222 1.988,1223 1.2,1224 1.955,1225 1.753,1226 1.7,1227 1.902,1228 1.912,1229 1.016,1230 1.922,1231 1.589,1232 1.532,1233 1.824,1234 1.789,1235 0.998,1236 1.799,1237 1.417,1238 1.381,1239 1.668,1240 1.636,1241 0.825,1242 1.625,1243 1.277,1244 1.225,1245 1.597,1246 1.631,1247 0.772,1248 1.59,1249 1.234,1250 1.192,1251 1.513,1252 1.582,1253 0.647,1254 1.549,1255 4.511,1257 5.849,1259 7.398,1261 9.049,1263 10.757,1265 4.762,1270 9.992,1271 4.424,1272 5.946,1273 5.175,1275 -0.893,1276 2.261,1277 -0.668,1280 48.518,1281 122.913,1282 293.654,1283 374.448,1284 411.732,1285 425.997,1286 431.997,1287 146.389,1288 8.213,1289 153.79,1290 153.79,1291 24,1292 13.092,1293 4.322,1294 3.807,1295 79.43,1296 240,1297 216,1298 0.158,1299 298.582,1300 547.47,1301 720.299,1302 48883,1304 30.441,1305 0.725,1306 0.572,1307 30.441,1308 24.014,1309 20.084,1310 0.446,1311 0.309,1312 13.683,1313 19.164,1314 13.303,1315 11.025,1316 20.084,1317 13.895,1318 18.168,1319 0.284,1320 0.167,1321 18.168,1322 10.68,1323 15.247,1324 0.175,1325 0.094,1326 15.247,1327 8.221,1328 12.766,1329 0.113,1330 0.053,1331 12.766,1332 6.022,1333 9.887,1334 0.07,1335 0.03,1336 9.887,1337 4.226,1338 0.255,1339 127.304,1340 0.186,1341 37.611,1342 0.416,1343 218,1344 710.519,1345 241.878,1346 672.677,1347 883.83,1348 620,1349 260,1350 625.906,1351 282.612,1352 628.151,1353 913.33,1354 586,1355 4.541} {0 CHEMBL151695,1 1.876,2 16.721,3 6.084,4 37.02,5 153.538,6 8.672,7 0.489,8 4.389,9 4.482,10 4.172,11 3.91,12 5.554,13 3.912,14 4.956,15 5.103,16 4.602,17 4.278,18 6.519,19 4.292,20 5.162,21 5.321,22 4.592,23 4.445,24 6.767,25 4.417,26 5.233,27 5.437,28 4.474,29 4.501,30 6.33,31 4.424,32 5.284,33 5.487,34 4.531,35 4.491,36 6.468,37 4.431,38 5.261,39 5.455,40 4.529,41 4.447,42 6.506,43 4.394,44 5.249,45 5.45,46 4.481,47 4.365,48 6.527,49 4.326,50 5.208,51 5.403,52 4.459,53 4.241,54 6.612,55 4.247,56 0.305,57 1.27,58 13.967,59 6.989,60 41.096,61 7.274,62 1.447,63 2.425,64 30.181,65 11.235,66 213.552,67 12.298,68 1.901,69 2.225,70 33.342,71 13.555,72 261.739,73 16.012,74 0.944,75 2.292,76 39.851,77 16.099,78 94.149,79 20.316,80 1.28,81 2.412,82 45.255,83 16.816,84 118.977,85 20.268,86 1.425,87 2.566,88 45.762,89 16.228,90 133.495,91 18.567,92 1.498,93 2.496,94 48.294,95 16.261,96 203.272,97 18.203,98 1.844,99 2.458,100 43.158,101 13.614,102 244.51,103 13.883,104 85,105 70,106 0.289,107 0.595,108 0.723,109 0.817,110 0.842,111 0.842,112 3.787,113 0.934,114 -5.32,115 -5.21,116 -4.87,119 40.8,120 2,124 1,125 4,132 1,140 10,141 5,142 3,147 1,156 1,159 1,164 1,169 15,171 5,172 7,174 1,176 3,178 19,181 2,182 11,186 3,189 18,193 13,195 1,197 2,199 16,202 2,203 13,206 1,208 1,211 17,214 2,215 7,220 1,222 13,225 1,226 11,229 3,231 2,233 7,236 2,237 13,242 3,244 4,248 3,249 11,254 1,256 7,259 4076,260 27.852,261 27.852,262 27.852,263 27.852,264 27.852,265 24.74,266 28.386,267 15.775,268 28.713,269 23.15,270 23.15,271 23.15,272 23.15,273 23.15,274 18.274,275 37.262,276 7.495,277 24.64,278 4.274,279 2.291,280 1.461,281 0.853,282 0.69,283 0.69,284 4.481,289 1,290 1546,291 4.796,294 153.969,295 656.355,302 2.717,303 71.315,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 98,315 719,316 5.001,317 5.697,318 8.105,319 4.519,320 3.693,321 4.701,322 6.006,323 14.446,324 3.105,325 4.441,326 3.813,327 6.529,328 4.064,329 3.071,330 4.146,331 1.914,332 10.295,333 3.054,334 4.342,335 3.573,336 6.482,337 3.991,338 3.044,339 3.948,340 1.058,341 10.074,342 2.876,343 4.223,344 3.216,345 6.151,346 3.837,347 2.857,348 3.845,349 0.8,350 9.1,351 2.794,352 4.078,353 3.108,354 6.041,355 3.724,356 2.74,357 3.59,358 0.8,359 8.652,360 2.682,361 3.685,362 2.858,363 5.472,364 3.403,365 2.468,366 3.085,368 7.017,369 2.313,370 3.589,371 2.731,372 5.316,373 3.254,374 2.287,375 2.884,377 6.817,378 2.216,379 3.464,380 2.435,381 5.158,382 3.153,383 2.198,384 2.584,386 6.298,387 2.083,388 3.329,389 2.388,390 5.102,391 2.976,392 2.109,393 2.531,395 6.124,396 1.899,397 3.28,398 2.232,399 4.942,400 2.909,401 1.918,402 2.367,404 5.495,405 1.797,406 3.061,407 2.18,408 4.876,409 2.71,410 1.797,411 2.15,413 5.401,414 1.578,415 2.842,416 1.826,417 4.178,418 2.39,419 1.382,420 1.944,422 3.629,423 1.387,424 2.739,425 1.405,426 4.076,427 2.261,428 1.281,429 1.812,431 3.393,432 1.25,433 2.536,434 1.362,435 3.982,436 2.106,437 1.13,438 1.523,440 3.065,441 1.1,442 2.5,443 1.178,444 3.881,445 2.038,446 1.046,447 1.5,449 2.896,450 1.033,451 19.857,452 0.462,453 1.541,454 0.036,455 56.75,456 1.32,457 28,458 0.651,459 28.75,460 0.669,461 39.964,462 0.929,463 47.943,464 0.675,465 55.435,466 1.289,467 11.367,468 0.264,469 8.936,470 0.208,471 0.169,472 0.067,473 0.317,478 3,479 0.563,480 1.148,481 0.698,482 1.252,483 0.601,484 0.972,485 0.477,486 0.834,487 0.607,488 0.931,489 0.423,490 0.816,491 0.483,492 0.778,493 0.778,494 0.869,495 0.335,496 1.01,497 0.532,498 0.801,499 0.832,500 1.055,501 0.448,502 1.099,503 0.738,504 0.826,505 0.88,506 0.962,507 0.669,508 0.977,509 0.907,510 0.945,511 1.096,512 1.108,513 0.915,514 1.078,515 1.057,516 1.108,517 1.114,518 1.135,519 1.172,520 1.036,521 1.541,522 1.094,523 1.106,524 0.883,525 1.761,526 0.952,527 12,528 0.339,529 6.889,530 2.972,531 2.801,532 1.955,533 1.66,534 1.05,535 0.666,536 0.536,537 34522,538 119877,539 2.02,540 39.4,541 3,542 21,545 1,546 3,550 1.814,551 1.843,552 3.957,553 -0.3,559 133.17,560 1.876,561 3.858,562 4.688,563 5.297,564 5.459,565 5.459,566 3.395,567 4.973,568 5.397,569 4.217,570 3807.79,571 9.535,572 72320.3,577 436.632,578 1.721,579 5.323,580 0.255,581 0.007,582 0.098,583 0.041,584 0.043,585 0.029,586 0.026,587 0.017,588 0.011,589 0.01,590 0.538,591 0.17,592 0.63,593 0.977,594 251.359,595 0.039,596 -0.137,597 0.161,598 -0.12,599 -0.096,600 -0.013,601 0.389,602 0.197,603 0.271,604 0.058,605 0.361,606 0.114,607 0.356,608 0.152,609 0.011,610 0.05,611 0.429,612 -0.066,613 0.017,614 -0.065,615 0.03,616 -0.085,617 0.036,618 -0.053,619 -0.013,620 -0.057,621 0.058,622 0.019,624 0.054,625 -0.033,626 -0.016,627 -0.08,628 -0.076,629 -0.065,630 -0.072,631 -0.069,632 -0.139,633 -0.047,634 -0.096,635 -0.106,636 -0.023,637 -0.23,638 0.034,639 -0.118,640 0.042,641 -0.289,642 -0.032,643 6.834,644 6.078,645 0.674,646 61.311,647 1.032,648 1.139,649 4.093,650 16.749,651 0.671,652 3.871,653 4.263,654 4.5,655 4.691,656 4.942,657 5.05,658 5.231,659 5.342,660 5.425,661 5.533,662 9.864,663 0.66,664 615.69,665 3.871,666 5.46,667 6.315,668 7.21,669 8.085,670 8.977,671 9.86,672 10.751,673 11.638,674 12.529,675 7,678 1,681 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,709 1,714 71,716 26,717 3,718 47,720 75,721 29,722 20,723 8,724 10,725 1,730 5,731 5,736 2,745 21,746 8,750 3,753 1,755 3,759 1,762 3,764 28,765 13,766 1,767 14,768 1,773 5,777 1,778 5,792 1,793 4,815 1,819 5,821 1,823 3,825 3,827 43,831 1,833 4,834 1,835 1,838 2,839 1,846 3,847 7,850 3,852 2,854 23.333,855 13.812,856 9.021,857 4.072,858 4.179,859 1.481,860 0.994,861 8.64,862 12.863,863 4.135,864 4.777,865 5.291,866 5.806,867 6.323,868 6.637,869 7.099,870 7.457,871 7.8,872 8.183,873 0.909,874 72,875 14.784,877 4.9135,878 8.221,879 29.383,881 24.34,883 2.721,884 117,888 317.82,889 181.844,890 60.642,892 87.737,893 44.88,894 7.75,895 174.094,896 405.557,897 105.522,898 26.047,899 26.434,900 102.512,901 115.565,902 98.421,904 317.82,905 6.125,906 317.82,907 234.736,908 132.618,909 7.75,911 320.148,912 87.737,913 44.88,914 6.125,915 52.228,916 137.673,917 44.132,919 362.7,920 148.379,921 181.844,923 7.75,924 323.944,925 47.16,926 127.058,927 18.011,928 169,929 317.82,930 193.259,931 181.844,933 0.607,934 0.348,935 0.163,936 0.091,937 34,938 17,939 0.093,940 7,942 1,943 5.084,944 440.305,946 29,947 218.574,950 1,951 30.709,952 12.098,953 6.92,955 193.259,956 16.535,957 8.195,959 5.056,961 4.873,963 18.011,964 692.923,965 61.5,968 -5.882,970 36.552,974 -0.452,975 73.247,976 80.875,977 0.305,978 0.627,979 0.762,980 0.861,981 0.888,982 0.888,983 5.419,984 2.198,985 6.372,986 6.817,987 4.949,988 5.466,989 4.215,990 7.252,991 4.838,992 6.675,993 2.109,994 7.995,995 6.298,996 4.844,997 5.545,998 4.966,999 8.532,1000 4.594,1001 8.033,1002 1.918,1003 9.737,1004 6.124,1005 6.681,1006 7.738,1007 7.405,1008 11.573,1009 6.428,1010 9.428,1011 1.797,1012 11.554,1013 5.495,1014 7.353,1015 8.597,1016 8.78,1017 13.71,1018 6.933,1019 10.859,1020 1.382,1021 13.426,1022 5.401,1023 8.763,1024 10.346,1025 10.87,1026 16.42,1027 8.31,1028 12.315,1029 1.281,1030 15.341,1031 3.629,1032 9.768,1033 11.545,1034 12.462,1035 18.889,1036 9.138,1037 13.793,1038 1.13,1039 17.291,1040 3.393,1041 11.051,1042 13.136,1043 14.399,1044 21.541,1045 10.344,1046 3.693,1047 1.046,1048 19.269,1049 3.065,1050 12.203,1051 14.494,1052 16.093,1053 24.134,1054 11.318,1055 3.071,1056 14.446,1057 21.269,1058 2.896,1059 13.459,1060 16.027,1061 17.956,1062 26.785,1063 12.456,1064 3.044,1065 10.295,1066 23.289,1067 4.701,1068 14.679,1069 17.463,1070 19.7,1071 29.424,1072 13.498,1073 2.857,1074 10.074,1075 25.324,1076 4.146,1077 15.94,1078 18.979,1079 21.527,1080 32.083,1081 14.612,1082 2.74,1083 9.1,1084 27.371,1085 3.948,1086 17.194,1087 20.456,1088 23.296,1089 34.74,1090 15.686,1091 2.468,1092 8.652,1093 29.427,1094 3.845,1095 18.465,1096 21.97,1097 25.105,1098 37.404,1099 16.792,1100 2.287,1101 7.017,1102 31.492,1103 3.59,1104 19.738,1105 23.47,1106 26.886,1107 40.068,1108 17.883,1109 32670,1110 61444,1111 30.224,1112 47.659,1113 72.947,1114 74.254,1115 74.339,1116 72.264,1117 72.014,1118 92.897,1119 21.157,1120 219.405,1121 68.139,1122 6.001,1123 7.697,1124 7.519,1125 5.59,1126 5.693,1127 7.701,1128 10.217,1129 22.708,1130 5.105,1131 27.997,1132 1.552,1133 1.58,1134 1.582,1135 1.538,1136 1.532,1137 1.977,1138 0.45,1139 4.668,1140 1.45,1141 4.08,1142 4.097,1143 4.739,1144 4.007,1145 8.519,1146 4.003,1147 4.011,1148 4.014,1149 4.017,1150 3.931,1151 7.999,1152 3.895,1153 3.889,1154 3.896,1155 3.897,1156 3.788,1157 7.999,1158 3.765,1159 3.855,1160 3.86,1161 3.821,1162 3.744,1163 7.707,1164 3.689,1165 3.734,1166 3.778,1167 3.651,1168 3.554,1169 7.429,1170 3.56,1171 3.678,1172 3.709,1173 3.604,1174 3.467,1175 6.999,1176 3.509,1177 3.305,1178 3.353,1179 3.253,1180 3.1,1181 5.295,1182 3.128,1183 3.181,1184 3.264,1185 3.079,1186 3.026,1187 4.819,1188 3.006,1189 0.106,1190 0.121,1191 0.172,1192 0.096,1193 0.079,1194 5.001,1195 0.1,1196 5.697,1197 0.128,1198 8.105,1199 0.307,1200 4.519,1201 0.066,1202 3.693,1203 4.701,1204 6.006,1205 14.446,1206 3.105,1207 2.013,1208 1.995,1209 2.099,1210 2.086,1211 1.305,1212 2.088,1213 1.923,1214 1.904,1215 2.031,1216 2.058,1217 1.244,1218 2.06,1219 1.8,1220 1.776,1221 1.923,1222 1.93,1223 1.061,1224 1.933,1225 1.708,1226 1.679,1227 1.879,1228 1.876,1229 1.003,1230 1.886,1231 1.577,1232 1.618,1233 1.696,1234 1.773,1235 0.825,1236 1.782,1237 1.439,1238 1.384,1239 1.552,1240 1.698,1241 0.736,1242 1.688,1243 1.267,1244 1.226,1245 1.54,1246 1.5,1247 0.642,1248 1.501,1249 1.203,1250 1.139,1251 1.513,1252 1.471,1253 0.632,1254 1.494,1255 4.554,1257 5.927,1258 2.398,1259 7.478,1260 4.595,1261 9.106,1262 6.555,1263 10.772,1265 5.576,1267 39.097,1271 2.056,1272 2.739,1273 4.488,1276 3.753,1277 -5.584,1280 46.866,1281 133.17,1282 273.952,1283 332.883,1284 376.103,1285 387.612,1286 387.612,1287 107.755,1288 8.684,1289 117.87,1290 126.25,1291 29,1292 13.058,1293 4.755,1294 3.954,1295 71.737,1296 258,1297 273,1298 0.133,1299 285.531,1300 508.85,1301 688.455,1302 85255,1303 4.2,1304 30.941,1305 0.72,1306 0.565,1307 28.691,1308 24.291,1309 20.303,1310 0.432,1311 0.311,1312 13.064,1313 18.483,1314 12.624,1315 10.436,1316 19.979,1317 14.628,1318 20.241,1319 0.289,1320 0.167,1321 20.051,1322 11.692,1323 16.236,1324 0.182,1325 0.09,1326 14.745,1327 7.98,1328 12.209,1329 0.113,1330 0.048,1331 12.554,1332 5.145,1333 10.06,1334 0.072,1335 0.027,1336 10.276,1337 3.684,1338 0.216,1339 137.874,1340 0.182,1341 38.571,1342 0.348,1343 234,1344 952.785,1345 321.719,1346 848.249,1347 1120.94,1348 780,1349 276,1350 783.331,1351 361.054,1352 806.713,1353 1201.85,1354 751,1355 6} {0 CHEMBL151825,1 1.582,2 16.587,3 3.238,4 10.482,5 173.821,6 7.409,7 0.245,8 4.522,9 4.634,10 4.065,11 4.023,12 5.689,13 4.008,14 5.076,15 5.246,16 4.415,17 4.428,18 6.236,19 4.387,20 5.358,21 5.55,22 4.59,23 4.651,24 6.418,25 4.6,26 5.551,27 5.737,28 4.691,29 4.746,30 6.747,31 4.693,32 5.651,33 5.862,34 4.662,35 4.791,36 6.754,37 4.713,38 5.67,39 5.911,40 4.605,41 4.77,42 6.763,43 4.663,44 5.654,45 5.913,46 4.442,47 4.687,48 6.636,49 4.571,50 5.509,51 5.757,52 4.441,53 4.581,54 6.571,55 4.48,56 0.189,57 1.199,58 17.375,59 7.927,60 22.957,61 10.187,62 0.706,63 1.912,64 33.892,65 13.069,66 92.609,67 17.609,68 0.532,69 2.469,70 45.652,71 17.181,72 85.692,73 23.371,74 1.103,75 2.77,76 57.646,77 20.539,78 171.968,79 26.931,80 1.173,81 2.977,82 65.746,83 22.617,84 174.495,85 30.603,86 1.257,87 3.067,88 67.825,89 22.698,90 186.183,91 32.725,92 1.258,93 2.908,94 69.346,95 21.319,96 183.405,97 30.866,98 1.026,99 2.58,100 58.49,101 19.364,102 141.552,103 27.693,104 98,105 68,106 0.237,107 0.578,108 0.755,109 0.827,110 0.849,111 0.849,112 3.853,113 0.931,114 -3.53,115 -3.51,116 -3.35,119 40,120 2,121 4,122 1,123 1,124 1,125 5,135 2,137 1,138 1,140 9,141 2,142 1,154 1,156 3,164 2,169 16,171 2,172 15,174 2,176 3,178 22,182 16,186 2,189 19,192 3,193 18,195 3,197 7,199 18,202 2,203 15,208 4,211 9,214 2,215 20,218 3,219 1,220 8,222 11,226 9,231 1,233 6,236 5,237 12,240 2,242 3,244 10,248 6,249 9,252 6,254 2,256 4,259 5208,260 30.827,261 30.827,262 30.827,263 30.827,264 30.827,265 27.824,266 43.55,267 18.264,268 31.341,269 23.973,270 23.973,271 23.973,272 23.973,273 23.973,274 19.385,275 54.582,276 8.382,277 24.606,278 4.828,279 2.546,280 1.363,281 0.877,282 0.733,283 0.733,284 4.54,290 1600,291 5.339,295 711.379,302 2.257,303 69.682,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 101.5,315 763,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.148,322 2.612,323 14.979,324 3.59,325 4.659,326 4.038,327 7.139,328 4.347,329 3.353,330 3.972,331 2.491,332 12.446,333 3.333,334 4.244,335 3.867,336 6.298,337 3.738,338 2.763,339 3.922,340 2.308,341 9.205,342 2.696,343 4.105,344 3.776,345 5.943,346 3.702,347 2.705,348 3.489,349 1.36,350 8.264,351 2.688,352 3.79,353 3.422,354 5.713,355 3.383,356 2.456,357 3.232,358 1.216,359 7.49,360 2.328,361 3.631,362 3.053,363 5.46,364 3.355,365 2.376,366 3.04,367 1.058,368 6.944,369 2.278,370 3.513,371 2.925,372 5.337,373 3.167,374 2.176,375 2.651,376 1.045,377 6.11,378 2.144,379 3.474,380 2.828,381 5.068,382 3.087,383 2.12,384 2.472,385 0.8,386 5.81,387 2.04,388 3.448,389 2.764,390 4.7,391 2.781,392 1.816,393 2.195,394 0.473,395 4.688,396 1.746,397 3.116,398 2.382,399 4.58,400 2.633,401 1.664,402 2.129,403 0.391,404 4.21,405 1.596,406 3.005,407 2.169,408 4.533,409 2.582,410 1.612,411 2.107,413 4.063,414 1.555,415 2.995,416 2.009,417 3.802,418 2.443,419 1.458,420 2.012,422 2.991,423 1.435,424 2.598,425 1.866,426 3.782,427 2.35,428 1.351,429 1.595,431 2.956,432 1.345,433 2.547,434 1.701,435 3.682,436 2.154,437 1.168,438 1.5,440 2.751,441 1.147,442 2.5,443 1.607,444 3.627,445 2.059,446 1.065,447 1.5,449 2.614,450 1.055,451 21.333,452 0.464,453 1.136,454 0.025,455 54.5,456 1.185,457 25.5,458 0.554,459 29,460 0.63,461 52.154,462 1.134,463 51.267,464 0.603,465 53.825,466 1.17,467 10.924,468 0.237,469 11.198,470 0.243,471 0.167,472 0.023,473 0.295,479 0.647,480 1.303,481 0.786,482 1.161,483 0.56,484 1.029,485 0.678,486 1.059,487 0.838,488 0.973,489 0.444,490 0.938,491 0.834,492 1.088,493 0.909,494 1.07,495 0.681,496 1.003,497 1.157,498 1.05,499 1.076,500 1.114,501 1.119,502 1.091,503 1.139,504 1.08,505 1.063,506 1.073,507 1.012,508 1.065,509 0.733,510 1.098,511 0.971,512 1.096,513 0.61,514 1.083,515 1.056,516 0.945,517 1.056,518 0.926,519 0.927,520 0.975,521 0.807,522 1.026,523 0.926,524 1.043,525 0.921,526 1.019,527 9,528 0.359,529 6.222,530 4.188,531 3.24,532 2.458,533 1.293,534 0.918,535 0.756,536 0.431,537 37557,538 113384,539 1.988,540 45.9,541 1,542 22,545 2,546 5,547 7,548 2,550 1.834,551 1.834,552 3.916,553 0.127,559 134.433,560 1.582,561 3.863,562 5.047,563 5.533,564 5.677,565 5.677,566 3.327,567 5.132,568 5.495,569 4.183,570 4329.56,571 9.752,572 85508.2,577 544.798,578 1.596,579 5.433,580 0.184,581 0.007,582 0.092,583 0.052,584 0.039,585 0.03,586 0.017,587 0.015,588 0.012,589 0.007,590 0.454,591 0.33,592 0.63,593 1.394,594 272.477,595 0.054,596 -0.068,597 0.042,598 -0.02,599 0.002,600 -0.001,601 0.133,602 0.063,603 0.066,604 0.093,605 0.146,606 0.072,607 -0.066,608 0.008,609 0.004,610 -0.024,611 -0.016,612 0.009,613 -0.072,614 -0.021,615 -0.107,616 -0.091,617 -0.063,618 -0.107,619 -0.112,620 -0.102,621 -0.081,622 -0.061,623 -0.081,624 -0.068,625 0.087,626 -0.114,627 0.001,628 -0.105,629 0.092,630 -0.076,631 -0.132,632 0.003,633 -0.048,634 0.029,635 -0.104,636 0.014,637 0.054,638 -0.06,639 0.061,640 -0.063,641 -0.029,642 -0.016,643 2.509,644 6.704,645 0.522,646 65.83,647 1.01,648 1.13,649 2.3,650 5.291,651 0.649,652 3.912,653 4.234,654 4.533,655 4.787,656 5.017,657 5.118,658 5.187,659 5.247,660 5.252,661 5.153,662 9.826,663 0.624,664 629.78,665 3.912,666 5.46,667 6.319,668 7.209,669 8.095,670 8.997,671 9.895,672 10.803,673 11.707,674 12.619,675 5.9,678 1,682 1,684 2,686 1,688 9,693 3,695 12,708 1,714 85,716 20,717 2,718 49,720 88,721 34,722 12,723 3,724 9,725 6,730 4,731 4,736 2,737 1,739 1,740 2,741 1,743 4,744 1,745 19,746 14,747 1,750 7,752 1,755 4,758 1,759 7,764 39,765 11,766 2,767 12,773 5,777 1,778 7,793 4,801 1,802 1,805 1,808 1,810 1,811 2,815 1,817 1,818 1,819 4,823 3,827 46,832 1,833 9,834 1,835 2,837 1,838 1,839 1,840 1,843 1,845 1,847 8.2,849 1,850 2,851 1,852 1,853 2,854 25.083,855 16.083,856 10.472,857 5.137,858 2.732,859 1.327,860 0.918,861 11.982,862 11.095,863 4.174,864 4.691,865 5.182,866 5.658,867 6.134,868 6.388,869 6.703,870 6.998,871 7.23,872 7.219,873 0.909,874 80,875 17.182,877 7.393,878 8.016,879 31.994,881 26.008,883 2.516,884 115.75,888 435.531,889 187.503,890 74.65,892 165.72,895 187.503,896 601.251,897 74.65,898 34.204,899 41.164,900 85.286,901 137.984,902 78.488,904 435.531,905 50.747,906 435.531,907 262.153,908 165.72,911 329.591,912 209.913,913 61.747,915 109.784,916 143.943,917 8.427,919 435.531,920 240.37,921 187.503,924 435.531,925 57.082,926 122.614,927 34.612,928 213.565,929 435.531,930 240.37,931 187.503,933 0.575,934 0.348,935 0.189,936 0.104,937 28,938 15,939 0.148,940 13,942 1,943 5.164,944 475.496,946 24,947 240.084,951 34.687,952 15.89,953 7.98,955 234.7,956 15.509,961 1.387,963 60.694,964 863.404,965 64,967 -0.509,970 49.127,973 4.517,974 0.348,975 85.821,976 96.016,977 0.247,978 0.603,979 0.787,980 0.863,981 0.886,982 0.886,983 5.438,984 2.12,985 6.326,986 6.11,987 4.92,988 5.38,989 3.812,990 7.21,991 4.877,992 6.648,993 1.816,994 7.94,995 5.81,996 4.635,997 5.223,998 3.058,999 8.523,1000 4.597,1001 7.974,1002 1.664,1003 9.677,1004 4.688,1005 6.597,1006 7.496,1007 5.216,1008 11.658,1009 6.531,1010 9.338,1011 1.612,1012 11.495,1013 4.21,1014 7.194,1015 8.161,1016 5.149,1017 13.898,1018 7.143,1019 10.739,1020 1.458,1021 13.369,1022 4.063,1023 8.654,1024 9.928,1025 6.882,1026 16.663,1027 8.586,1028 12.165,1029 1.351,1030 15.285,1031 2.991,1032 9.636,1033 10.958,1034 7.134,1035 19.21,1036 9.581,1037 13.612,1038 1.168,1039 17.233,1040 2.956,1041 10.936,1042 12.525,1043 8.638,1044 21.901,1045 10.873,1046 3.6,1047 1.065,1048 19.205,1049 2.751,1050 12.08,1051 13.728,1052 9.072,1053 24.543,1054 12.024,1055 3.353,1056 14.979,1057 21.195,1058 2.614,1059 13.337,1060 15.206,1061 10.432,1062 27.226,1063 13.278,1064 2.763,1065 12.446,1066 23.2,1067 4.148,1068 14.546,1069 16.498,1070 10.987,1071 29.9,1072 14.49,1073 2.705,1074 9.205,1075 25.217,1076 3.972,1077 15.796,1078 17.934,1079 12.25,1080 32.587,1081 15.739,1082 2.456,1083 8.264,1084 27.243,1085 3.922,1086 17.034,1087 19.273,1088 12.891,1089 35.275,1090 16.977,1091 2.376,1092 7.49,1093 29.277,1094 3.489,1095 18.288,1096 20.689,1097 14.083,1098 37.967,1099 18.229,1100 2.176,1101 6.944,1102 31.316,1103 3.232,1104 19.539,1105 22.054,1106 14.789,1107 40.661,1108 19.479,1109 36603,1110 63864,1111 31.611,1112 55.154,1113 74.06,1114 78.159,1115 77.687,1116 72.095,1117 72.152,1118 90.847,1119 27.509,1120 209.912,1121 70.493,1122 5.705,1123 6.2,1124 7.853,1125 5.641,1126 5.6,1127 7.148,1128 4.921,1129 22.771,1130 5.59,1131 28.987,1132 1.511,1133 1.595,1134 1.585,1135 1.471,1136 1.472,1137 1.854,1138 0.561,1139 4.284,1140 1.439,1141 4.07,1142 4.098,1143 4.025,1144 3.978,1145 7.815,1146 3.982,1147 3.995,1148 4.025,1149 3.931,1150 3.917,1151 7.433,1152 3.916,1153 3.87,1154 3.898,1155 3.838,1156 3.717,1157 7.428,1158 3.734,1159 3.766,1160 3.822,1161 3.658,1162 3.633,1163 6.999,1164 3.631,1165 3.638,1166 3.685,1167 3.548,1168 3.456,1169 6.818,1170 3.467,1171 3.593,1172 3.65,1173 3.485,1174 3.425,1175 6.473,1176 3.426,1177 3.468,1178 3.495,1179 3.427,1180 3.263,1181 4.799,1182 3.272,1183 3.44,1184 3.474,1185 3.364,1186 3.11,1187 4.748,1188 3.171,1189 0.096,1190 0.086,1191 0.162,1192 0.094,1193 0.073,1194 4.705,1195 0.085,1196 4.2,1197 0.053,1198 7.943,1199 0.306,1200 4.599,1201 0.073,1202 3.6,1203 4.148,1204 2.612,1205 14.979,1206 3.59,1207 1.993,1208 1.972,1209 2.108,1210 2.113,1211 1.452,1212 2.099,1213 1.977,1214 1.949,1215 2.075,1216 2.089,1217 1.294,1218 2.091,1219 1.793,1220 1.763,1221 1.953,1222 1.984,1223 1.199,1224 1.952,1225 1.753,1226 1.7,1227 1.895,1228 1.912,1229 1.016,1230 1.92,1231 1.594,1232 1.542,1233 1.825,1234 1.802,1235 1.007,1236 1.806,1237 1.561,1238 1.504,1239 1.787,1240 1.763,1241 0.976,1242 1.772,1243 1.38,1244 1.336,1245 1.648,1246 1.634,1247 0.825,1248 1.61,1249 1.275,1250 1.223,1251 1.597,1252 1.625,1253 0.747,1254 1.577,1255 4.595,1257 5.916,1259 7.449,1261 9.088,1263 10.788,1265 4.808,1270 10.92,1271 4.401,1272 2.985,1273 10.631,1275 -0.813,1276 2.27,1277 -0.674,1278 8.892,1279 1.952,1280 53.066,1281 134.433,1282 328.379,1283 428.985,1284 470.269,1285 482.534,1286 482.534,1287 165.974,1288 8.362,1289 170.07,1290 170.07,1291 24,1292 13.135,1293 4.392,1294 4,1295 91.517,1296 268,1297 266,1298 0.159,1299 328.298,1300 605.09,1301 792.807,1302 57677,1304 33.269,1305 0.723,1306 0.572,1307 33.269,1308 26.323,1309 22.122,1310 0.451,1311 0.31,1312 14.971,1313 21.097,1314 14.567,1315 12.057,1316 22.122,1317 15.208,1318 19.397,1319 0.285,1320 0.167,1321 19.397,1322 11.344,1323 16.397,1324 0.178,1325 0.094,1326 16.397,1327 8.606,1328 13.513,1329 0.114,1330 0.052,1331 13.513,1332 6.222,1333 10.564,1334 0.07,1335 0.029,1336 10.564,1337 4.392,1338 0.256,1339 140.216,1340 0.178,1341 40.381,1342 0.422,1343 234,1344 773.476,1345 260.011,1346 732.858,1347 964.86,1348 678,1349 277,1350 681.696,1351 302.105,1352 682.917,1353 990.05,1354 638,1355 6.125} {0 CHEMBL151878,1 1.562,2 15.953,3 2.592,4 6.721,5 166.545,6 7.192,7 0.261,8 4.483,9 4.608,10 4,11 3.984,12 5.61,13 3.961,14 5.041,15 5.219,16 4.369,17 4.402,18 6.203,19 4.353,20 5.343,21 5.543,22 4.536,23 4.631,24 6.368,25 4.569,26 5.535,27 5.735,28 4.639,29 4.729,30 6.691,31 4.661,32 5.635,33 5.857,34 4.593,35 4.756,36 6.749,37 4.668,38 5.624,39 5.874,40 4.5,41 4.717,42 6.7,43 4.593,44 5.616,45 5.893,46 4.273,47 4.602,48 6.57,49 4.456,50 5.436,51 5.717,52 4.23,53 4.43,54 6.393,55 4.301,56 0.171,57 1.183,58 17.577,59 7.525,60 18.585,61 10.131,62 0.549,63 1.88,64 33.297,65 12.787,66 87.194,67 17.782,68 0.48,69 2.428,70 46.159,71 17.011,72 76.333,73 23.703,74 0.869,75 2.756,76 57.64,77 20.296,78 139.787,79 27.719,80 1.11,81 2.928,82 65.717,83 21.384,84 180.143,85 30.058,86 0.978,87 2.933,88 64.909,89 21.446,90 168.587,91 31.755,92 1.076,93 2.73,94 67.157,95 20.013,96 174.066,97 30.206,98 0.88,99 2.276,100 55.945,101 17.595,102 117.785,103 26.241,104 93,105 65,106 0.236,107 0.561,108 0.733,109 0.805,110 0.832,111 0.835,112 3.787,113 0.949,114 -3.95,115 -3.9,116 -3.7,119 39,120 3,121 3,122 1,123 1,125 5,135 2,137 2,140 9,141 2,142 1,156 3,161 1,162 1,163 1,164 2,169 16,171 2,172 10,173 1,174 2,176 7,178 22,180 1,182 15,186 3,189 19,191 1,193 18,195 3,196 2,197 7,198 1,199 18,201 3,202 2,203 13,208 6,211 11,213 2,214 2,215 15,217 1,218 2,219 1,220 11,221 1,222 10,224 3,226 9,231 1,233 6,236 2,237 8,239 1,240 4,242 2,244 8,246 1,248 4,249 7,251 2,252 8,254 2,256 5,259 3936,260 28.542,261 28.542,262 28.542,263 28.542,264 28.542,265 25.799,266 42.606,267 16.738,268 28.997,269 22.552,270 22.552,271 22.552,272 22.552,273 22.552,274 18.415,275 55.233,276 7.679,277 23.108,278 4.796,279 2.644,280 1.51,281 1.031,282 0.857,283 0.832,284 4.474,290 1446,291 5.05,295 659.533,302 2.147,303 62.879,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 94.5,315 686,316 4.706,317 4.203,318 7.944,319 4.599,320 3.601,321 4.11,322 2.612,323 14.984,324 3.591,325 4.641,326 3.888,327 7.131,328 4.344,329 3.348,330 3.973,331 2.491,332 12.406,333 3.333,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.36,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 1.058,350 8.257,351 2.681,352 3.767,353 3.136,354 5.702,355 3.382,356 2.456,357 3.208,358 0.98,359 7.456,360 2.325,361 3.635,362 3.063,363 5.468,364 3.352,365 2.373,366 3.043,367 0.8,368 6.945,369 2.278,370 3.464,371 2.765,372 5.338,373 3.176,374 2.188,375 2.485,376 0.759,377 6.171,378 2.148,379 3.347,380 2.744,381 5.011,382 3.039,383 2.056,384 2.434,385 0.473,386 5.614,387 2.006,388 3.097,389 2.372,390 4.618,391 2.709,392 1.743,393 2.155,394 0.359,395 4.449,396 1.679,397 3.027,398 2.154,399 4.605,400 2.659,401 1.689,402 2.129,404 4.309,405 1.616,406 3.014,407 2.016,408 4.366,409 2.481,410 1.481,411 2.11,413 3.712,414 1.473,415 2.606,416 1.803,417 3.802,418 2.351,419 1.351,420 1.617,422 2.969,423 1.346,424 2.5,425 1.701,426 3.767,427 2.181,428 1.2,429 1.5,431 2.769,432 1.172,433 2.5,434 1.632,435 3.678,436 2.049,437 1.05,438 1.5,440 2.624,441 1.046,442 2.497,443 1.264,444 3.584,445 2,446 1,447 1.469,449 2.372,450 1,451 20,452 0.465,453 1.174,454 0.027,455 49.5,456 1.151,457 22.5,458 0.523,459 27,460 0.628,461 48.865,462 1.136,463 48.4,464 0.59,465 47.837,466 1.112,467 9.831,468 0.229,469 10.754,470 0.25,471 0.178,472 0.025,473 0.315,479 0.599,480 1.279,481 0.818,482 1.125,483 0.554,484 1.024,485 0.592,486 1.107,487 0.822,488 1.021,489 0.409,490 0.968,491 0.861,492 1.082,493 0.925,494 1.053,495 0.686,496 1,497 1.077,498 1.093,499 1.036,500 1.127,501 1.061,502 1.088,503 1.206,504 1.074,505 1.106,506 1.043,507 1.196,508 1.059,509 0.718,510 1.146,511 0.994,512 1.135,513 0.657,514 1.119,515 1.012,516 0.961,517 1.069,518 0.954,519 0.987,520 1.005,521 0.75,522 0.911,523 0.841,524 0.942,525 0.816,526 0.916,527 9,528 0.305,529 6,530 4.188,531 3.08,532 2.319,533 1.131,534 0.809,535 0.662,536 0.309,537 31966,538 91299,539 1.987,540 47.6,541 1,542 19,545 4,547 13,548 2,550 1.815,551 1.823,552 3.845,553 1.395,559 128.069,560 1.562,561 3.714,562 4.848,563 5.327,564 5.501,565 5.525,566 3.307,567 4.926,568 5.401,569 4.132,570 3731.49,571 9.546,572 70503.6,577 521.319,578 1.634,579 5.33,580 0.196,581 0.008,582 0.092,583 0.055,584 0.038,585 0.031,586 0.017,587 0.016,588 0.013,589 0.006,590 0.473,591 0.17,592 0.63,593 1.119,594 250.351,595 0.06,596 0.005,597 0.037,598 0.026,599 -0.022,600 0.025,601 0.156,602 0.043,603 0.084,604 0.065,605 0.183,606 0.063,607 -0.075,608 0.017,609 0.001,610 0.006,611 -0.017,612 0.023,613 -0.055,614 -0.053,615 -0.068,616 -0.095,617 -0.039,618 -0.089,619 -0.137,620 -0.079,621 -0.115,622 -0.046,623 -0.119,624 -0.075,625 0.063,626 -0.151,627 -0.032,628 -0.145,629 0.082,630 -0.114,631 -0.117,632 -0.025,633 -0.068,634 -0.016,635 -0.111,636 -0.027,637 0.089,638 0.006,639 0.155,640 0.011,641 0.003,642 0.079,643 2.502,644 6.515,645 0.558,646 54.712,647 1.006,648 1.132,649 2.72,650 7.397,651 0.643,652 3.85,653 4.19,654 4.489,655 4.754,656 4.977,657 5.063,658 5.1,659 5.153,660 5.13,661 4.97,662 9.538,663 0.614,664 589.76,665 3.85,666 5.407,667 6.271,668 7.168,669 8.057,670 8.963,671 9.863,672 10.773,673 11.676,674 12.589,675 6.1,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 82,716 19,717 2,718 46,720 85,721 32,722 12,723 3,724 9,725 6,730 4,731 4,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 13,747 1,750 7,752 1,755 5,759 7,764 39,765 10,766 4,767 11,773 5,777 1,778 6,793 4,804 1,805 1,808 1,810 2,811 2,814 1,815 1,819 4,823 3,827 43,828 1,833 8,834 2,835 1,837 1,838 1,839 1,847 7.3,850 3,852 1,853 2,854 23.583,855 15.317,856 9.639,857 5.104,858 2.626,859 1.318,860 0.942,861 10.646,862 10.879,863 4.094,864 4.635,865 5.118,866 5.597,867 6.046,868 6.259,869 6.536,870 6.82,871 7.01,872 6.764,873 1,874 76,875 16.091,877 6.985,878 7.983,879 30.127,881 24.801,883 2.483,884 106.75,888 411.989,889 169.994,890 77.713,892 137.182,895 169.994,896 549.17,897 77.713,898 32.146,899 71.527,900 103.297,901 97.549,902 29.623,904 411.989,905 50.747,906 411.989,907 247.707,908 137.182,911 235.422,912 263.001,913 50.747,915 119.137,916 117.386,917 11.184,919 411.989,920 214.895,921 169.994,924 411.989,925 58.232,926 120.556,927 36.022,928 170.079,929 411.989,930 214.895,931 169.994,933 0.582,934 0.351,935 0.196,936 0.107,937 28,938 15,939 0.141,940 12,942 1,943 4.949,944 435.375,946 24,947 219.329,951 32.243,952 14.197,953 7.112,955 209.225,956 15.603,961 1.445,963 68.919,964 796.877,965 59,967 -0.502,970 61.365,974 0.49,975 82.494,976 92.806,977 0.246,978 0.584,979 0.762,980 0.838,981 0.865,982 0.869,983 5.361,984 2.056,985 6.29,986 6.171,987 4.875,988 5.323,989 3.48,990 7.185,991 4.838,992 6.573,993 1.743,994 7.912,995 5.614,996 4.635,997 5.223,998 3.058,999 8.513,1000 4.602,1001 7.904,1002 1.689,1003 9.655,1004 4.449,1005 6.567,1006 7.446,1007 4.814,1008 11.645,1009 6.508,1010 9.273,1011 1.481,1012 11.478,1013 4.309,1014 7.186,1015 8.144,1016 5.149,1017 13.889,1018 7.142,1019 10.679,1020 1.351,1021 13.356,1022 3.712,1023 8.636,1024 9.885,1025 6.501,1026 16.655,1027 8.576,1028 12.111,1029 1.2,1030 15.274,1031 2.969,1032 9.628,1033 10.928,1034 7.134,1035 19.204,1036 9.58,1037 13.563,1038 1.05,1039 17.224,1040 2.769,1041 10.925,1042 12.481,1043 8.299,1044 21.896,1045 10.869,1046 3.601,1047 1,1048 19.197,1049 2.624,1050 12.072,1051 13.688,1052 9.072,1053 24.54,1054 12.024,1055 3.348,1056 14.984,1057 21.188,1058 2.372,1059 13.328,1060 15.157,1061 10.14,1062 27.223,1063 13.276,1064 2.763,1065 12.406,1066 23.194,1067 4.11,1068 14.54,1069 16.447,1070 10.987,1071 29.899,1072 14.49,1073 2.676,1074 9.057,1075 25.212,1076 3.973,1077 15.79,1078 17.876,1079 12.003,1080 32.587,1081 15.739,1082 2.456,1083 8.257,1084 27.238,1085 3.91,1086 17.029,1087 19.21,1088 12.891,1089 35.275,1090 16.978,1091 2.373,1092 7.456,1093 29.272,1094 3.485,1095 18.282,1096 20.619,1097 13.877,1098 37.968,1099 18.229,1100 2.188,1101 6.945,1102 31.312,1103 3.208,1104 19.534,1105 21.978,1106 14.789,1107 40.663,1108 19.48,1109 31020,1110 52703,1111 29.531,1112 52.699,1113 69.474,1114 72.31,1115 73.516,1116 68.718,1117 68.69,1118 85.877,1119 21.784,1120 202.263,1121 67.38,1122 5.706,1123 6.203,1124 7.746,1125 5.64,1126 5.601,1127 7.11,1128 4.612,1129 22.802,1130 5.591,1131 27.761,1132 1.51,1133 1.572,1134 1.598,1135 1.494,1136 1.493,1137 1.867,1138 0.474,1139 4.397,1140 1.465,1141 4.071,1142 4.101,1143 4.024,1144 3.979,1145 7.815,1146 3.983,1147 3.996,1148 4.027,1149 3.932,1150 3.918,1151 7.439,1152 3.917,1153 3.871,1154 3.902,1155 3.836,1156 3.718,1157 7.431,1158 3.733,1159 3.766,1160 3.823,1161 3.659,1162 3.634,1163 7.428,1164 3.632,1165 3.628,1166 3.68,1167 3.532,1168 3.452,1169 6.999,1170 3.457,1171 3.527,1172 3.579,1173 3.432,1174 3.322,1175 4.896,1176 3.334,1177 3.468,1178 3.506,1179 3.422,1180 3.271,1181 4.759,1182 3.264,1183 3.446,1184 3.489,1185 3.299,1186 3.085,1187 4.708,1188 3.156,1189 0.102,1190 0.091,1191 0.173,1192 0.1,1193 0.078,1194 4.706,1195 0.089,1196 4.203,1197 0.057,1198 7.944,1199 0.326,1200 4.599,1201 0.078,1202 3.601,1203 4.11,1204 2.612,1205 14.984,1206 3.591,1207 1.997,1208 1.974,1209 2.109,1210 2.117,1211 1.452,1212 2.102,1213 1.978,1214 1.95,1215 2.082,1216 2.09,1217 1.309,1218 2.094,1219 1.796,1220 1.765,1221 1.953,1222 1.991,1223 1.2,1224 1.957,1225 1.753,1226 1.7,1227 1.904,1228 1.913,1229 1.016,1230 1.924,1231 1.593,1232 1.537,1233 1.83,1234 1.799,1235 0.999,1236 1.807,1237 1.478,1238 1.416,1239 1.794,1240 1.735,1241 0.937,1242 1.751,1243 1.425,1244 1.374,1245 1.673,1246 1.634,1247 0.825,1248 1.634,1249 1.239,1250 1.193,1251 1.513,1252 1.626,1253 0.774,1254 1.55,1255 4.533,1257 5.866,1259 7.41,1261 9.058,1263 10.764,1265 5.287,1269 5.733,1271 4.911,1272 6.078,1273 5.475,1275 -0.768,1276 2.288,1277 -0.656,1280 50.351,1281 128.069,1282 304.539,1283 397.506,1284 436.79,1285 451.055,1286 453.055,1287 147.721,1288 8.253,1289 159.58,1290 159.58,1291 24,1292 13.104,1293 4.322,1294 3.807,1295 82.434,1296 252,1297 220,1298 0.157,1299 310.972,1300 566.98,1301 750.532,1302 51260,1304 31.148,1305 0.724,1306 0.578,1307 31.148,1308 24.852,1309 20.584,1310 0.447,1311 0.316,1312 14.35,1313 19.701,1314 13.959,1315 11.564,1316 20.584,1317 14.547,1318 18.548,1319 0.285,1320 0.169,1321 18.548,1322 10.968,1323 15.356,1324 0.175,1325 0.095,1326 15.356,1327 8.347,1328 13.08,1329 0.114,1330 0.053,1331 13.08,1332 6.139,1333 10.066,1334 0.07,1335 0.03,1336 10.066,1337 4.341,1338 0.254,1339 129.808,1340 0.184,1341 38.324,1342 0.413,1343 222,1344 691.681,1345 245.356,1346 658.292,1347 871.55,1348 608,1349 264,1350 624.63,1351 286.115,1352 624.745,1353 910.57,1354 586,1355 5.302} {0 CHEMBL151894,1 1.648,2 16.026,3 4.458,4 19.871,5 151.77,6 7.735,7 0.548,8 4.339,9 4.445,10 4.055,11 3.885,12 5.4,13 3.853,14 4.891,15 5.061,16 4.368,17 4.27,18 6.072,19 4.231,20 5.088,21 5.261,22 4.433,23 4.457,24 6.157,25 4.379,26 5.246,27 5.45,28 4.405,29 4.507,30 6.305,31 4.402,32 5.266,33 5.492,34 4.342,35 4.462,36 6.287,37 4.357,38 5.171,39 5.392,40 4.3,41 4.398,42 6.145,43 4.272,44 5.138,45 5.373,46 4.317,47 4.34,48 6.164,49 4.201,50 5.088,51 5.295,52 4.237,53 4.23,54 6.259,55 4.144,56 0.117,57 1.05,58 16.808,59 6.675,60 18.434,61 8.132,62 0.578,63 1.663,64 29.772,65 10.66,66 62.788,67 13.613,68 0.442,69 2.004,70 36.913,71 14.03,72 44.798,73 17.424,74 0.474,75 2.208,76 46.415,77 17.09,78 69.342,79 21.618,80 0.67,81 2.169,82 47.093,83 16.293,84 78.945,85 21.464,86 0.637,87 2.01,88 42.819,89 15.4,90 57.366,91 20.058,92 0.594,93 1.958,94 47.214,95 16.101,96 69.695,97 20.267,98 0.663,99 1.795,100 50.291,101 14.648,102 95.742,103 16.769,104 38,105 61,106 0.256,107 0.558,108 0.728,109 0.825,110 0.839,111 0.839,112 3.668,113 0.991,114 -4.83,115 -4.74,116 -4.45,119 40.6,120 2,124 2,125 4,140 10,141 4,142 4,159 2,164 1,169 13,171 3,172 6,174 2,176 2,178 17,181 2,182 13,186 3,189 17,193 15,195 1,197 2,199 13,203 11,206 1,208 1,211 14,214 3,215 7,220 1,222 10,225 2,226 12,229 1,231 2,233 6,237 16,242 3,244 4,248 2,249 7,254 1,256 7,259 2894,260 25.375,261 25.375,262 25.375,263 25.375,264 25.375,265 22.392,266 25.54,267 14.527,268 26.026,269 20.64,270 20.64,271 20.64,272 20.64,273 20.64,274 16.01,275 30.175,276 6.8,277 21.588,278 4.461,279 2.516,280 1.424,281 0.797,282 0.71,283 0.71,284 4.368,289 1,290 1331,291 3.742,294 130.648,295 564.196,302 2.503,303 38.568,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 82.5,315 609,316 4.858,317 4.686,318 7.308,319 4.317,320 3.396,321 4.709,322 0.86,323 12.51,324 3.114,325 4.429,326 3.304,327 6.519,328 4.051,329 3.059,330 4.13,331 0.8,332 10.259,333 3.031,334 4.338,335 3.107,336 6.479,337 3.985,338 3.037,339 3.949,340 0.8,341 10.063,342 2.868,343 4.181,344 2.856,345 6.147,346 3.794,347 2.81,348 3.794,350 9.085,351 2.761,352 3.728,353 2.782,354 5.395,355 3.404,356 2.47,357 3.25,359 6.943,360 2.311,361 3.606,362 2.471,363 5.26,364 3.278,365 2.298,366 2.888,368 6.475,369 2.247,370 3.454,371 2.402,372 5.163,373 3.145,374 2.192,375 2.755,377 6.309,378 2.08,379 3.393,380 2.379,381 4.97,382 2.979,383 1.999,384 2.528,386 5.661,387 1.959,388 3.101,389 2.126,390 4.923,391 2.869,392 1.954,393 2.226,395 5.596,396 1.779,397 3.035,398 1.679,399 4.694,400 2.581,401 1.586,402 2.18,404 4.695,405 1.576,406 2.762,407 1.406,408 4.109,409 2.298,410 1.314,411 1.873,413 3.395,414 1.291,415 2.567,416 1.322,417 3.987,418 2.109,419 1.137,420 1.594,422 3.108,423 1.103,424 2.5,425 1.166,426 3.954,427 2.076,428 1.092,429 1.5,431 3.055,432 1.072,433 2.468,434 1.146,435 3.414,436 2,437 1,438 1.459,440 2.275,441 1,442 2.176,443 1.072,444 3.414,445 1.967,446 1,447 1.018,449 2.275,450 0.965,451 18.167,452 0.478,453 1.114,454 0.029,455 51.25,456 1.349,457 26.5,458 0.697,459 24.75,460 0.651,461 34.011,462 0.895,463 41.233,464 0.598,465 44.061,466 1.16,467 10.154,468 0.267,469 8.075,470 0.213,471 0.147,472 0.046,473 0.319,479 0.663,480 1.385,481 0.805,482 1.257,483 0.679,484 0.998,485 0.89,486 0.961,487 0.819,488 0.815,489 0.546,490 0.78,491 1.034,492 1.052,493 1.071,494 1.057,495 0.871,496 1.041,497 0.996,498 1.11,499 1.097,500 1.156,501 1.023,502 1.098,503 1.111,504 0.935,505 0.943,506 0.919,507 1.246,508 0.967,509 0.919,510 1.014,511 0.967,512 1.008,513 0.91,514 1.062,515 0.716,516 1.033,517 1.121,518 1.156,519 0.822,520 0.985,521 1.656,522 1.08,523 1.605,524 1.311,525 2.011,526 0.946,527 9.5,528 0.24,529 5.556,530 2.972,531 2.361,532 1.573,533 1.313,534 0.882,535 0.403,536 0.34,537 25379,538 66511,539 2.075,540 44.9,541 3,542 24,545 1,546 3,550 1.783,551 1.924,552 3.906,553 -0.348,559 113.693,560 1.648,561 3.592,562 4.685,563 5.311,564 5.398,565 5.398,566 3.4,567 4.754,568 5.217,569 4.114,570 2892.04,571 9.168,572 49671.7,577 421.488,578 1.584,579 5.165,580 0.226,581 0.007,582 0.091,583 0.047,584 0.039,585 0.028,586 0.026,587 0.018,588 0.008,589 0.009,590 0.5,591 0.17,592 0.75,593 0.697,594 214.021,595 0.095,596 -0.18,597 0.195,598 -0.118,599 -0.12,600 -0.011,601 0.15,602 0.154,603 0.126,604 0.171,605 0.289,606 0.164,607 -0.101,608 0.038,609 -0.093,610 -0.02,611 -0.01,612 -0.067,613 -0.075,614 -0.106,615 -0.086,616 -0.114,617 0.007,618 -0.096,619 -0.098,620 0.025,621 -0.005,622 0.039,623 -0.107,624 0.018,625 0.007,626 -0.032,627 0.007,628 -0.011,629 -0.063,630 -0.066,631 0.165,632 -0.035,633 0.109,634 -0.012,635 0.161,636 0.046,637 -0.222,638 -0.068,639 -0.171,640 -0.089,641 -0.065,642 0.045,643 4.701,644 6.219,645 0.763,646 50.499,647 1.006,648 1.125,649 3.597,650 12.936,651 0.672,652 3.761,653 4.127,654 4.394,655 4.644,656 4.86,657 4.956,658 5.13,659 5.226,660 5.247,661 5.375,662 9.089,663 0.638,664 533.71,665 3.761,666 5.333,667 6.192,668 7.086,669 7.96,670 8.854,671 9.733,672 10.627,673 11.509,674 12.403,675 7.2,678 1,680 1,681 1,685 2,688 10,689 2,691 1,693 10,695 23,709 1,712 1,714 69,716 25,717 3,718 42,720 73,721 28,722 20,723 8,724 10,730 5,731 5,736 2,745 20,746 8,750 2,753 1,755 2,764 31,765 9,766 1,767 10,768 1,773 5,777 1,778 4,792 1,793 4,815 1,819 5,821 1,823 4,827 38,830 1,833 4,834 1,835 1,838 2,847 5.8,850 2,852 2,854 19.75,855 13.717,856 8.181,857 3.978,858 4.113,859 1.486,860 0.998,861 7.55,862 12.583,863 4.034,864 4.68,865 5.229,866 5.797,867 6.293,868 6.617,869 7.087,870 7.433,871 7.748,872 8.175,873 0.909,874 63,875 14.317,877 6.341,878 7.739,879 26.982,881 22.355,883 2.239,884 85.083,888 353.133,889 181.013,890 55.98,892 64.82,894 5.807,895 175.205,896 417.953,897 55.98,898 36.93,899 8.423,900 100.57,901 104.084,902 51.806,904 353.133,906 353.133,907 231.185,908 64.82,909 5.807,911 353.133,912 64.82,915 39.238,916 142.216,917 55.538,919 353.133,920 120.8,921 181.013,923 5.807,924 353.133,925 43.513,926 137.941,927 16.405,928 98.146,929 353.133,930 120.8,931 181.013,933 0.594,934 0.348,935 0.182,936 0.098,937 30,938 14,939 0.096,940 7,942 1,943 4.796,944 373.145,946 29,947 189.421,950 1,951 26.389,952 10.872,953 5.792,955 120.8,956 18.119,957 7.961,959 5.524,961 7.026,963 16.405,964 654.945,965 55.5,968 -3.784,970 26.438,975 69.381,976 77.647,977 0.27,978 0.588,979 0.767,980 0.869,981 0.884,982 0.884,983 5.297,984 1.999,985 6.217,986 6.309,987 4.812,988 5.368,989 1.481,990 7.071,991 4.729,992 6.538,993 1.954,994 7.812,995 5.661,996 4.575,997 5.394,998 0.57,999 8.204,1000 4.418,1001 7.884,1002 1.586,1003 9.512,1004 5.596,1005 6.491,1006 7.655,1007 1.104,1008 11.245,1009 6.314,1010 9.269,1011 1.314,1012 11.278,1013 4.695,1014 7.048,1015 8.495,1016 0.479,1017 13.206,1018 6.786,1019 10.689,1020 1.137,1021 13.087,1022 3.395,1023 8.478,1024 10.276,1025 0.854,1026 15.833,1027 8.193,1028 12.134,1029 1.092,1030 14.927,1031 3.108,1032 9.381,1033 11.474,1034 0.346,1035 18.116,1036 9.009,1037 13.599,1038 1,1039 16.79,1040 3.055,1041 10.638,1042 13.081,1043 0.661,1044 20.632,1045 10.229,1046 3.396,1047 1,1048 18.673,1049 2.275,1050 11.695,1051 14.444,1052 0.237,1053 23.042,1054 11.202,1055 3.059,1056 12.51,1057 20.57,1058 2.275,1059 12.894,1060 15.988,1061 0.505,1062 25.535,1063 12.349,1064 3.037,1065 10.259,1066 22.48,1067 4.709,1068 14.019,1069 17.431,1070 0.158,1071 27.999,1072 13.394,1073 2.81,1074 10.063,1075 24.4,1076 4.13,1077 15.203,1078 18.955,1079 0.382,1080 30.495,1081 14.514,1082 2.47,1083 9.085,1084 26.328,1085 3.949,1086 16.361,1087 20.439,1088 0.104,1089 32.984,1090 15.592,1091 2.298,1092 6.943,1093 28.264,1094 3.794,1095 17.544,1096 21.959,1097 0.285,1098 35.487,1099 16.703,1100 2.192,1101 6.475,1102 30.206,1103 3.25,1104 18.72,1105 23.465,1106 0.068,1107 37.991,1108 17.798,1109 23710,1110 38669,1111 27.739,1112 46.392,1113 63.877,1114 64.464,1115 65.848,1116 63.425,1117 63.361,1118 83.161,1119 4.92,1120 189.115,1121 60.797,1122 5.858,1123 6.686,1124 6.849,1125 5.384,1126 5.396,1127 7.709,1128 1.72,1129 19.874,1130 5.114,1131 20.934,1132 1.521,1133 1.535,1134 1.568,1135 1.51,1136 1.509,1137 1.98,1138 0.117,1139 4.503,1140 1.448,1141 4.124,1142 4.124,1143 4.737,1144 4.099,1145 7.717,1146 4.043,1147 3.982,1148 4.005,1149 3.986,1150 3.907,1151 6.999,1152 3.89,1153 3.922,1154 3.941,1155 3.894,1156 3.824,1157 5.264,1158 3.812,1159 3.762,1160 3.81,1161 3.76,1162 3.572,1163 4.864,1164 3.575,1165 3.711,1166 3.741,1167 3.615,1168 3.528,1169 4.774,1170 3.538,1171 3.528,1172 3.53,1173 3.535,1174 3.403,1175 4.528,1176 3.38,1177 3.237,1178 3.306,1179 3.081,1180 3.033,1181 4.412,1182 3.011,1183 3.19,1184 3.283,1185 3.013,1186 2.968,1187 4.342,1188 2.975,1189 0.116,1190 0.112,1191 0.174,1192 0.103,1193 0.081,1194 4.858,1195 0.112,1196 4.686,1197 0.02,1198 7.308,1199 0.298,1200 4.317,1201 0.074,1202 3.396,1203 4.709,1204 0.86,1205 12.51,1206 3.114,1207 2.031,1208 2.026,1209 2.091,1210 2.094,1211 1.307,1212 2.114,1213 1.927,1214 1.906,1215 2.032,1216 2.057,1217 1.262,1218 2.056,1219 1.831,1220 1.82,1221 1.906,1222 1.944,1223 1.105,1224 1.965,1225 1.703,1226 1.637,1227 1.88,1228 1.869,1229 1.022,1230 1.878,1231 1.443,1232 1.452,1233 1.695,1234 1.696,1235 0.825,1236 1.689,1237 1.405,1238 1.374,1239 1.571,1240 1.593,1241 0.734,1242 1.612,1243 1.249,1244 1.183,1245 1.552,1246 1.49,1247 0.646,1248 1.512,1249 1.181,1250 1.11,1251 1.539,1252 1.472,1253 0.621,1254 1.495,1255 4.443,1257 5.796,1258 2.398,1259 7.338,1260 4.595,1261 8.96,1262 6.555,1263 10.624,1265 7.471,1271 3.563,1272 2.729,1273 5.549,1276 4.488,1280 44.002,1281 113.693,1282 247.856,1283 323.249,1284 366.469,1285 372.469,1286 372.469,1287 72.917,1288 8.47,1289 100.8,1290 109.18,1291 29,1292 12.931,1293 4.7,1294 3.858,1295 59.451,1296 209,1297 212,1298 0.136,1299 271.275,1300 467.19,1301 653.671,1302 66769,1304 26.863,1305 0.707,1306 0.599,1307 27.113,1308 22.749,1309 18.23,1310 0.434,1311 0.33,1312 12.317,1313 16.672,1314 11.762,1315 9.8,1316 19.051,1317 13.876,1318 17.228,1319 0.282,1320 0.183,1321 18.529,1322 11.145,1323 14.323,1324 0.179,1325 0.102,1326 15.427,1327 8.147,1328 11.851,1329 0.115,1330 0.055,1331 12.873,1332 5.659,1333 9.388,1334 0.073,1335 0.031,1336 10.214,1337 3.981,1338 0.221,1339 123.081,1340 0.19,1341 34.973,1342 0.356,1343 206,1344 612.716,1345 263.82,1346 608.781,1347 837.92,1348 566,1349 244,1350 603.961,1351 311.17,1352 647.924,1353 942.52,1354 604,1355 6.155} {0 CHEMBL154274,1 1.898,2 9.462,3 3.854,4 14.854,5 111.564,6 11.228,7 0.429,8 3.919,9 4.012,10 3.961,11 3.534,12 4.944,13 3.472,14 4.476,15 4.624,16 4.339,17 3.93,18 5.734,19 3.85,20 4.713,21 4.89,22 4.498,23 4.111,24 5.816,25 3.987,26 4.749,27 4.922,28 4.542,29 4.099,30 5.878,31 3.959,32 4.766,33 4.947,34 4.941,35 4.089,36 5.964,37 3.958,38 4.717,39 4.885,40 4.462,41 4.021,42 5.956,43 3.896,44 4.734,45 4.945,46 4.182,47 3.925,48 5.835,49 3.767,50 4.6,51 4.845,52 4.017,53 3.679,54 5.732,55 3.533,56 0.125,57 0.67,58 4.176,59 4.458,60 15.981,61 4.736,62 0.477,63 1.074,64 12.889,65 7.713,66 54.724,67 8.286,68 0.506,69 1.309,70 36.219,71 11.297,72 40.085,73 11.889,74 0.511,75 1.297,76 51.611,77 12.702,78 51.815,79 12.616,80 0.743,81 1.275,82 75.767,83 13.103,84 65.23,85 12.382,86 0.763,87 1.23,88 30.391,89 11.877,90 74.572,91 12.184,92 0.636,93 1.228,94 45.692,95 12.522,96 82.251,97 12.588,98 0.813,99 1.006,100 44.344,101 9.636,102 92.841,103 9.998,104 27,105 40,106 0.328,107 0.615,108 0.741,109 0.839,110 0.847,111 0.847,112 3.305,113 1.188,114 -3.32,115 -3.31,116 -3.17,117 2,119 37.8,124 1,125 4,140 6,142 6,169 2,171 1,172 2,174 2,176 1,178 5,181 1,182 7,184 1,186 4,189 5,193 5,197 3,202 2,203 4,206 1,208 1,211 3,214 2,215 4,218 2,220 1,222 5,226 1,231 1,233 6,237 3,240 2,241 1,244 2,249 4,259 988,260 17.187,261 17.187,262 17.187,263 17.187,264 17.187,265 15.396,266 22.111,267 10.001,268 18.009,269 13.742,270 13.742,271 13.742,272 13.742,273 13.742,274 10.924,275 26.668,276 4.662,277 15.117,278 3.593,279 1.935,280 1.206,281 0.639,282 0.595,283 0.595,284 3.98,289 1,290 518,291 3.391,295 265.379,302 1.503,303 31.944,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 56,315 246,316 4.868,317 4.688,318 7.318,319 4.334,320 3.414,321 4.72,322 0.86,323 12.565,324 3.115,325 4.284,326 3.268,327 6.498,328 3.929,329 2.988,330 3.887,331 0.8,332 10.174,333 2.806,334 4.184,335 3.18,336 6.053,337 3.696,338 2.788,339 3.798,340 0.4,341 8.662,342 2.474,343 3.439,344 2.717,345 5.234,346 3.168,347 2.237,348 2.75,350 6.325,351 2.079,352 3.384,353 2.594,354 4.937,355 2.912,356 2.084,357 2.521,359 5.682,360 1.661,361 3.12,362 1.988,363 4.843,364 2.635,365 1.688,366 2.319,368 5.037,369 1.519,370 2.831,371 1.876,372 4.177,373 2.492,374 1.556,375 1.956,377 3.742,378 1.454,379 2.743,380 1.594,381 4.086,382 2.344,383 1.393,384 1.792,386 3.561,387 1.255,388 2.225,389 1.188,390 3.48,391 1.967,392 1,393 1.19,395 2.477,396 0.965,397 2,398 1.146,399 3.276,400 1.955,401 1,402 1,404 2.136,405 0.952,406 1.699,407 1.053,408 3.247,409 1.418,410 0.551,411 0.613,413 0.933,414 0.472,415 1.54,416 0.847,417 2.918,418 1.081,419 0.27,420 0.327,422 0.608,423 0.164,424 1,425 0.35,426 2.651,427 0.555,428 -0.286,429 -0.341,431 -0.691,432 -0.189,433 1,434 0.054,435 2.372,436 0.52,437 -0.387,438 -0.45,440 -0.867,441 -0.347,442 0.873,443 -0.225,444 2.335,445 0.273,446 -0.679,447 -0.814,449 -1.65,450 -0.47,451 14.2,452 0.546,453 0.769,454 0.03,455 33,456 1.269,457 16.5,458 0.635,459 16.5,460 0.635,461 25.551,462 0.983,463 27.8,464 0.618,465 22.513,466 0.866,467 5.98,468 0.23,469 6.423,470 0.247,471 0.27,472 0.059,473 0.239,479 0.654,480 1.406,481 0.506,482 0.945,483 0.667,484 0.855,485 0.926,486 1.024,487 0.573,488 0.677,489 0.571,490 0.762,491 0.971,492 0.995,493 0.892,494 0.93,495 0.824,496 0.927,497 1.142,498 1.162,499 0.859,500 1.036,501 1.195,502 1.041,503 1.089,504 0.879,505 0.513,506 0.791,507 1.296,508 0.848,509 0.887,510 1.101,511 0.602,512 1.002,513 1.04,514 1.011,515 1.341,516 1.114,517 0.767,518 1.011,519 1.63,520 1.002,521 1.503,522 0.573,523 0.885,524 0.651,525 1.919,526 0.788,527 6.5,528 0.103,529 3.778,530 2.063,531 1.858,532 1.299,533 0.649,534 0.361,535 0.283,536 0.174,537 7182,538 24786,539 2.005,540 42.2,542 17,545 2,550 1.695,551 1.846,552 3.236,553 0.365,555 1,559 85.426,560 1.898,561 3.557,562 4.286,563 4.853,564 4.897,565 4.897,566 2.662,567 4.133,568 4.673,569 3.387,570 1100.73,571 8.121,572 13513.8,577 247.133,578 1.648,579 4.606,580 0.232,581 0.006,582 0.094,583 0.049,584 0.048,585 0.032,586 0.018,587 0.012,588 0.013,589 0.009,590 0.513,591 0.33,592 0.88,593 0.819,594 125.661,595 0.034,596 -0.199,597 0.017,598 -0.082,599 -0.144,600 0.005,601 0.044,602 0.102,603 0.015,604 0.134,605 0.253,606 0.092,607 -0.067,608 0.07,609 -0.043,610 0.011,611 0.021,612 0.01,613 -0.121,614 -0.158,615 -0.018,616 -0.066,617 -0.067,618 -0.086,619 0.076,620 0.103,621 0.252,622 0.134,623 -0.013,624 0.091,625 0.235,626 -0.108,627 0.033,628 -0.072,629 0.153,630 -0.071,631 -0.218,632 -0.145,633 -0.04,634 -0.049,635 -0.182,636 -0.032,637 -0.21,638 0.353,639 -0.023,640 0.208,641 -0.276,642 0.149,643 4.654,644 5.881,645 0.692,646 21.385,647 1.017,648 1.121,649 2.091,650 4.373,651 0.724,652 3.367,653 3.714,654 3.951,655 4.174,656 4.431,657 4.443,658 4.466,659 4.477,660 4.533,661 4.522,662 5.83,663 0.671,664 505.26,665 3.367,666 4.92,667 5.765,668 6.653,669 7.521,670 8.412,671 9.289,672 10.182,673 11.062,674 11.957,675 6.7,677 1,680 1,681 1,688 6,693 6,695 12,709 1,712 1,713 2,714 45,716 14,717 2,718 28,719 2,720 47,721 17,722 12,723 6,724 6,730 3,731 3,745 12,746 5,750 2,753 1,755 2,764 19,765 6,766 2,767 9,768 3,773 3,777 1,778 3,793 3,814 1,819 3,821 1,822 2,823 1,827 26,830 1,833 4,834 2,835 1,838 1,846 2,847 6.7,850 2,852 1,854 14.083,855 8.152,856 5.708,857 2.495,858 2.203,859 1.315,860 0.996,861 6.51,862 9.204,863 3.611,864 4.234,865 4.714,866 5.222,867 5.761,868 5.948,869 6.135,870 6.254,871 6.475,872 6.697,873 1,874 42,875 9.877,877 4.41,878 7.843,879 18.376,881 15.126,883 2.343,884 60.917,888 200.109,889 100.389,890 129.448,892 55.313,894 5.807,895 186.489,896 255.422,897 37.54,898 10.883,899 8.423,900 80.676,901 60.718,902 32.542,904 200.109,905 91.908,906 200.109,907 132.121,908 55.313,909 5.807,910 91.908,911 200.109,912 55.313,915 26.434,916 89.283,917 22.212,918 91.908,919 200.109,920 92.853,921 192.297,923 5.807,924 200.109,925 26.841,926 70.865,927 126.324,928 55.313,929 200.109,930 92.853,931 192.297,933 0.587,934 0.343,935 0.178,936 0.105,937 19,938 9,939 0.106,940 5,942 1,943 3.636,944 219.307,946 18,947 116.211,950 1,951 19.955,952 8.482,953 4.745,955 92.853,956 10.237,961 3.562,963 34.416,964 485.258,965 36,968 -3.737,970 25.762,975 45.774,976 50.463,977 0.346,978 0.648,979 0.78,980 0.884,981 0.892,982 0.892,983 4.868,984 1.393,985 5.796,986 3.742,987 4.394,988 4.92,989 1.324,990 6.658,991 4.213,992 6.108,993 1,994 7.399,995 3.561,996 4.205,997 5.075,998 0.325,999 7.888,1000 3.858,1001 7.468,1002 1,1003 9.118,1004 2.477,1005 6.089,1006 7.24,1007 0.958,1008 10.92,1009 5.746,1010 8.872,1011 0.551,1012 10.907,1013 2.136,1014 6.698,1015 8.193,1016 0.268,1017 12.963,1018 6.198,1019 10.312,1020 0.27,1021 12.742,1022 0.933,1023 8.122,1024 9.93,1025 0.736,1026 15.609,1027 7.61,1028 11.779,1029 -0.286,1030 14.61,1031 0.608,1032 9.071,1033 11.207,1034 0.188,1035 17.947,1036 8.422,1037 13.265,1038 -0.387,1039 16.5,1040 -0.691,1041 10.336,1042 12.804,1043 0.57,1044 20.489,1045 9.648,1046 3.414,1047 -0.679,1048 18.409,1049 -0.867,1050 11.429,1051 14.221,1052 0.125,1053 22.936,1054 10.623,1055 2.988,1056 12.565,1057 20.331,1058 -1.65,1059 12.644,1060 15.771,1061 0.439,1062 25.454,1063 11.775,1064 2.788,1065 10.174,1066 22.264,1067 4.72,1068 13.799,1069 17.251,1070 0.082,1071 27.944,1072 12.825,1073 2.237,1074 8.662,1075 24.206,1076 3.887,1077 15.001,1078 18.789,1079 0.334,1080 30.461,1081 13.951,1082 2.084,1083 6.325,1084 26.154,1085 3.798,1086 16.185,1087 20.3,1088 0.054,1089 32.97,1090 15.037,1091 1.688,1092 5.682,1093 28.109,1094 2.75,1095 17.388,1096 21.836,1097 0.252,1098 35.489,1099 16.155,1100 1.556,1101 5.037,1102 30.069,1103 2.521,1104 18.586,1105 23.364,1106 0.035,1107 38.008,1108 17.258,1109 7083,1110 13378,1111 18.087,1112 32.586,1113 41.775,1114 43.682,1115 43.567,1116 42.179,1117 41.937,1118 53.745,1119 4.12,1120 123.8,1121 37.834,1122 5.868,1123 6.688,1124 7.12,1125 5.406,1126 5.414,1127 7.72,1128 1.72,1129 20.038,1130 5.115,1131 14.153,1132 1.492,1133 1.56,1134 1.556,1135 1.506,1136 1.498,1137 1.919,1138 0.147,1139 4.421,1140 1.351,1141 4.103,1142 4.091,1143 6.887,1144 4.082,1145 7.717,1146 4.005,1147 3.885,1148 3.916,1149 6.874,1150 3.858,1151 6.999,1152 3.83,1153 3.774,1154 3.811,1155 4.735,1156 3.632,1157 4.843,1158 3.595,1159 3.578,1160 3.57,1161 3.827,1162 3.442,1163 4.747,1164 3.408,1165 3.195,1166 3.267,1167 3.595,1168 3.013,1169 4.403,1170 2.922,1171 3.111,1172 3.206,1173 3.533,1174 2.941,1175 4.292,1176 2.91,1177 2.98,1178 3.076,1179 3.004,1180 2.912,1181 3.916,1182 2.874,1183 2.894,1184 2.915,1185 2.866,1186 2.773,1187 3.8,1188 2.776,1189 0.174,1190 0.167,1191 0.261,1192 0.155,1193 0.122,1194 4.868,1195 0.169,1196 4.688,1197 0.031,1198 7.318,1199 0.449,1200 4.334,1201 0.111,1202 3.414,1203 4.72,1204 0.86,1205 12.565,1206 3.115,1207 1.98,1208 1.986,1209 2.02,1210 2.078,1211 1.289,1212 2.095,1213 1.863,1214 1.845,1215 1.899,1216 1.96,1217 1.148,1218 1.977,1219 1.699,1220 1.643,1221 1.863,1222 1.869,1223 1.052,1224 1.888,1225 1.416,1226 1.44,1227 1.568,1228 1.612,1229 0.825,1230 1.637,1231 1.153,1232 1.07,1233 1.513,1234 1.434,1235 0.617,1236 1.468,1237 1.147,1238 1.064,1239 1.225,1240 1.376,1241 0.516,1242 1.429,1243 0.935,1244 0.857,1245 1.21,1246 1.217,1247 0.353,1248 1.223,1249 0.864,1250 0.842,1251 1.069,1252 1.03,1253 0.18,1254 1.064,1255 4.043,1257 5.38,1259 6.919,1261 8.544,1263 10.213,1264 6.73,1265 1.589,1271 3.293,1272 5.923,1273 5.428,1276 2.128,1280 30.187,1281 85.426,1282 160.06,1283 192.869,1284 218.379,1285 220.379,1286 220.379,1287 55.282,1288 7.001,1289 70.67,1290 79.05,1291 18,1292 12.485,1293 3.907,1294 3.17,1295 44.128,1296 90,1297 82,1298 0.241,1299 201.426,1300 344.38,1301 483.239,1302 9277,1303 4.4,1304 18.734,1305 0.721,1306 0.697,1307 20.984,1308 18.117,1309 12.403,1310 0.443,1311 0.396,1312 8.111,1313 10.028,1314 7.702,1315 6.343,1316 14.379,1317 11.09,1318 11.589,1319 0.29,1320 0.231,1321 14.447,1322 9.253,1323 9.346,1324 0.183,1325 0.13,1326 11.708,1327 6.639,1328 7.402,1329 0.116,1330 0.073,1331 9.379,1332 4.697,1333 6.27,1334 0.076,1335 0.05,1336 9.24,1337 4.13,1338 0.37,1339 102.944,1340 0.235,1341 24.758,1342 0.685,1343 136,1344 433.687,1345 317.331,1346 507.29,1347 660.62,1348 466,1349 159,1350 397.059,1351 280.781,1352 463.463,1353 675.09,1354 432,1355 5.8} {0 CHEMBL1548,1 1.802,2 5.231,3 2.524,4 6.372,5 54.838,6 10.804,7 0.429,8 3.152,9 3.268,10 3.014,11 2.762,12 4.359,13 2.749,14 3.61,15 3.752,16 3.448,17 3.16,18 4.852,19 3.115,20 3.808,21 3.958,22 3.728,23 3.294,24 5.055,25 3.213,26 3.774,27 3.965,28 3.344,29 3.073,30 4.97,31 2.946,32 3.499,33 3.753,34 2.853,35 2.621,36 4.63,37 2.448,38 2.746,39 3.001,40 2.238,41 1.9,42 3.978,43 1.739,44 2.141,45 2.361,46 1.634,47 1.327,48 3.434,49 1.121,50 1.219,51 1.33,52 0.403,53 0.664,54 2.222,55 0.454,56 0.085,57 0.307,58 1.597,59 1.343,60 8.381,61 1.417,62 0.165,63 0.458,64 3.804,65 2.538,66 12.758,67 3.017,68 0.266,69 0.494,70 10.345,71 3.25,72 22.032,73 3.386,74 0.309,75 0.405,76 12.884,77 3.58,78 26.417,79 3.977,80 0.281,81 0.262,82 15.243,83 3.279,84 25.397,85 3.969,86 0.127,87 0.116,88 5.877,89 1.405,90 14.64,91 1.675,92 0.093,93 0.038,94 5.388,95 0.881,96 10.782,97 1.021,98 0.042,99 0.003,100 3.347,101 0.361,102 4.051,103 0.34,104 10,105 20,106 0.388,107 0.772,108 0.845,109 0.888,110 0.888,111 0.888,112 2.671,113 0.959,114 -3.6,115 -3.57,116 -3.4,119 40,125 1,140 2,141 1,142 3,157 1,161 1,162 1,163 1,169 1,172 1,173 1,174 2,175 1,176 2,177 1,178 3,186 1,189 5,193 2,197 3,199 1,201 2,203 2,208 2,213 1,220 1,224 1,231 1,235 1,259 114,260 8.5,261 8.5,262 8.5,263 8.5,264 8.5,265 7.306,266 11.093,267 4.863,268 8.863,269 6.862,270 6.862,271 6.862,272 6.862,273 6.862,274 5.191,275 14.966,276 2.288,277 7.599,278 2.52,279 0.738,280 0.4,281 0.2,282 0.2,283 0.2,284 3.303,285 2,288 1,289 1,290 141,291 1.581,295 51.529,299 44.341,302 0.899,303 13.047,306 1,307 0.83,308 1,309 0.6,311 1,312 1,313 0.78,314 28.167,315 68,316 4.465,317 3.507,318 6.606,319 4.044,320 3.108,321 4.153,322 1.257,323 10.408,324 2.897,325 3.793,326 3.014,327 5.598,328 3.318,329 2.442,330 3.11,331 0.533,332 7.195,333 2.087,334 3.386,335 2.479,336 4.932,337 2.866,338 1.962,339 2.643,340 0.123,341 5.566,342 1.709,343 3.082,344 2.155,345 4.595,346 2.682,347 1.736,348 2.284,350 4.672,351 1.619,352 2.078,353 1.689,354 3.575,355 1.841,356 0.952,357 1.037,359 2.294,360 0.809,361 1.487,362 0.863,363 2.806,364 1.007,365 0.256,366 0.3,368 0.568,369 0.155,370 0.986,371 0.279,372 2.523,373 0.668,374 -0.202,375 -0.22,377 -0.475,378 -0.162,379 0.593,380 -0.217,381 2.34,382 0.246,383 -0.644,384 -0.76,386 -1.725,387 -0.521,388 0.254,389 -0.435,390 1.747,391 -0.239,392 -1.133,393 -1.409,395 -3.021,396 -0.804,397 -0.052,398 -0.843,399 1.5,400 -0.476,401 -1.293,402 -1.502,404 -3.199,405 -1.084,406 -0.17,407 -1.108,408 1.247,409 -0.73,410 -1.418,411 -1.916,413 -4.229,414 -1.194,415 -0.5,416 -1.471,417 1.112,418 -0.856,419 -1.766,420 -2.226,421 -0.331,422 -4.971,423 -1.641,424 -0.581,425 -1.61,426 0.715,427 -1,428 -2,429 -2.494,430 -0.562,431 -5.933,432 -1.869,433 -0.821,434 -2,435 0.706,436 -1.071,437 -2,438 -3,439 -1.02,440 -7.152,441 -2,451 6.629,452 0.51,453 0.404,454 0.031,455 16.75,456 1.288,457 8,458 0.615,459 8.75,460 0.673,461 8.627,462 0.664,463 13.771,464 0.689,465 8.982,466 0.691,467 3.398,468 0.261,469 2.783,470 0.214,471 0.276,473 0.377,479 0.862,480 1.17,481 0.495,482 0.578,483 0.948,484 0.615,485 0.611,486 0.863,487 0.544,488 0.65,489 0.546,490 0.723,491 1.049,492 1.155,493 0.792,494 0.823,495 0.941,496 0.917,497 1.138,498 1.137,499 1.23,500 1.275,501 1.145,502 1.269,503 0.981,504 0.874,505 1.216,506 1.2,507 1.093,508 1.103,509 0.975,510 0.839,511 1.063,512 1.016,513 1.148,514 1.01,515 1.383,516 0.593,517 2.163,518 1.794,519 1.257,520 1.472,521 4.458,522 0.117,523 5.842,524 3.533,525 4.205,526 2.75,527 3,529 2,530 1.063,531 0.978,532 0.229,533 0.121,537 936,538 4026,539 1.992,540 35,542 4,545 3,550 1.489,551 1.814,552 2.465,553 1.538,557 1,559 36.032,560 1.802,561 3.584,562 3.922,563 4.122,564 4.122,565 4.122,566 1.95,567 3.547,568 3.677,569 2.456,570 191.569,571 6.11,572 1380.81,574 1,577 86.439,578 1.549,579 3.601,580 0.214,582 0.1,583 0.053,584 0.075,585 0.033,586 0.04,590 0.516,591 1,592 1,593 0.773,594 45.93,595 -0.218,596 0.027,597 -0.026,598 0.14,599 -0.268,600 0.109,601 0.102,602 0.256,603 0.057,604 0.15,605 0.11,606 0.091,607 -0.136,608 -0.127,609 0.072,610 0.058,611 -0.095,612 -0.065,613 -0.121,614 -0.235,615 -0.192,616 -0.301,617 -0.14,618 -0.304,619 0.091,620 -0.124,621 -0.024,622 -0.084,623 0.018,624 0.059,625 0.113,626 -0.064,627 0.107,628 0.087,629 0.148,630 0.138,631 0.127,632 -0.024,633 -0.349,634 -0.481,635 0.35,636 -0.209,637 -1.863,638 0.12,639 -2.503,640 -1.825,641 -1.853,642 -1.435,643 1.258,644 1.866,645 0.769,646 4.982,647 1.03,648 1.131,649 2.368,650 5.609,651 0.751,652 2.708,653 3.045,654 3.296,655 3.497,656 3.714,657 3.638,658 3.497,659 3.296,660 3.135,661 2.197,662 3.23,663 0.715,664 216.08,665 2.708,666 4.234,667 5.081,668 5.958,669 6.825,670 7.706,671 8.578,672 9.458,673 10.332,674 11.213,675 15,676 1,680 1,684 1,688 2,693 4,695 6,707 1,713 2,714 20,716 7,717 1,718 14,720 21,721 8,722 6,723 4,724 2,730 2,731 3,732 2,734 1,745 7,746 1,750 1,758 1,759 1,764 7,765 3,766 3,767 5,768 2,773 3,777 0.5,793 2,797 1,812 1,819 1,824 2,827 13,828 1,833 1,834 1,846 2,854 7.167,855 3.486,856 2.833,857 1.02,858 1.615,859 1.288,860 1.009,861 2.255,862 7.221,863 2.944,864 3.57,865 4.073,866 4.579,867 5.114,868 5.233,869 5.326,870 5.461,871 5.538,872 4.55,873 0.75,874 20,875 4.729,876 -0.003,877 1.989,878 7.927,879 8.8,880 -0.001,881 7.078,882 0.001,883 2.427,884 31.556,885 0.005,888 47.084,889 35.901,890 67.693,891 78.297,895 35.901,896 125.382,897 67.693,899 35.003,900 18.952,901 18.011,902 29.729,903 1.899,904 47.084,905 78.297,906 47.084,907 103.594,909 78.297,911 47.084,915 51.788,916 33.795,917 96.308,919 47.084,920 67.693,921 114.198,924 47.084,925 16.948,926 18.952,927 18.011,928 127.98,929 47.084,930 67.693,931 114.198,933 0.595,934 0.352,935 0.177,936 0.099,937 11,938 5,941 1,942 1.2,943 2.44,944 81.013,945 0.2,946 10,947 48.106,951 8.965,952 3.27,953 1.558,955 67.693,956 3.569,961 2.853,963 50.908,964 228.976,965 18,973 4.013,974 0.408,975 20.604,976 22.629,977 0.417,978 0.829,979 0.907,980 0.954,981 0.954,982 0.954,983 4.182,984 -0.644,985 5.094,986 -0.475,987 3.714,988 4.248,989 1.469,990 5.916,991 3.517,992 5.417,993 -1.133,994 6.673,995 -1.725,996 3.434,997 4.205,998 0.623,999 6.855,1000 3.071,1001 6.748,1002 -1.293,1003 8.352,1004 -3.021,1005 5.323,1006 6.456,1007 1.562,1008 9.946,1009 4.981,1010 8.111,1011 -1.418,1012 10.086,1013 -3.199,1014 5.802,1015 7.159,1016 1.104,1017 11.678,1018 5.296,1019 9.5,1020 -1.766,1021 11.854,1022 -4.229,1023 7.225,1024 8.946,1025 1.812,1026 14.316,1027 6.744,1028 10.908,1029 -2,1030 13.647,1031 -4.971,1032 8.055,1033 10.006,1034 1.569,1035 16.39,1036 7.445,1037 12.331,1038 -2,1039 15.459,1040 -5.933,1041 9.297,1042 11.601,1043 2.129,1044 18.858,1045 8.683,1046 3.108,1048 17.284,1049 -7.152,1050 10.292,1051 12.841,1052 2.032,1053 21.081,1054 9.577,1055 2.442,1056 10.408,1057 19.122,1059 11.463,1060 14.348,1061 2.489,1062 23.479,1063 10.719,1064 1.962,1065 7.195,1066 20.968,1067 4.153,1068 12.532,1069 15.679,1070 2.494,1071 25.768,1072 11.705,1073 1.736,1074 5.566,1075 22.822,1076 3.11,1077 13.677,1078 17.143,1079 2.879,1080 28.136,1081 12.803,1082 0.952,1083 4.672,1084 24.681,1085 2.643,1086 14.78,1087 18.52,1088 2.956,1089 30.454,1090 13.831,1091 0.256,1092 2.294,1093 26.546,1094 2.284,1095 15.915,1096 19.964,1097 3.29,1098 32.808,1099 14.91,1100 -0.202,1101 0.568,1102 28.415,1103 1.037,1104 17.034,1105 21.363,1106 3.417,1107 35.139,1108 15.957,1109 1004,1110 2141,1111 8.959,1112 15.017,1113 21.154,1114 22.013,1115 22.038,1116 20.972,1117 20.912,1118 27.054,1119 3.826,1120 61.408,1121 18.552,1122 5.287,1123 5.507,1124 5.9,1125 5.114,1126 5.108,1127 7.153,1128 2.276,1129 17.56,1130 4.897,1131 6.546,1132 1.511,1133 1.572,1134 1.574,1135 1.498,1136 1.494,1137 1.932,1138 0.273,1139 4.386,1140 1.325,1141 3.982,1142 4.012,1143 4.141,1144 3.912,1145 5.172,1146 3.909,1147 3.481,1148 3.546,1149 3.603,1150 3.273,1151 4.998,1152 3.295,1153 3.044,1154 3.125,1155 3.392,1156 2.901,1157 4.492,1158 2.888,1159 2.866,1160 2.934,1161 3.109,1162 2.687,1163 4.373,1164 2.688,1165 2.568,1166 2.649,1167 2.748,1168 2.356,1169 4.05,1170 2.34,1171 2.303,1172 2.419,1173 2.367,1174 1.893,1175 3.497,1176 1.898,1177 1.784,1178 1.892,1179 2.033,1180 1.606,1181 3.244,1182 1.534,1183 1.591,1184 1.666,1185 1.716,1186 1.243,1187 2.629,1188 1.19,1189 0.319,1190 0.251,1191 0.472,1192 0.289,1193 0.222,1194 4.465,1195 0.297,1196 3.507,1197 0.09,1198 6.606,1199 0.743,1200 4.044,1201 0.207,1202 3.108,1203 4.153,1204 1.257,1205 10.408,1206 2.897,1207 1.929,1208 1.908,1209 1.983,1210 2.037,1211 1.177,1212 2.031,1213 1.387,1214 1.322,1215 1.539,1216 1.622,1217 0.629,1218 1.61,1219 1.009,1220 0.943,1221 1.285,1222 1.272,1223 0.215,1224 1.294,1225 0.781,1226 0.723,1227 0.961,1228 1.037,1230 1.041,1231 0.518,1232 0.436,1233 0.758,1234 0.76,1236 0.8,1237 0.217,1238 0.066,1239 0.579,1240 0.546,1242 0.568,1245 0.136,1246 0.121,1248 0.154,1255 3.367,1257 4.691,1259 6.232,1261 7.874,1263 9.566,1266 11.819,1269 5.501,1271 0.48,1272 2.913,1280 14.3,1281 36.032,1282 71.684,1283 78.439,1284 82.439,1285 82.439,1286 82.439,1287 14.814,1288 5.606,1289 50.41,1290 50.41,1291 12,1292 11.749,1293 3,1294 2.322,1295 19.057,1296 26,1297 22,1298 0.414,1299 98.061,1300 164.2,1301 231.03,1302 1403,1303 10,1304 9.422,1305 0.725,1306 0.627,1307 10.422,1308 8.154,1309 6.182,1310 0.442,1311 0.32,1312 3.736,1313 5.46,1314 3.594,1315 2.948,1316 6.759,1317 4.477,1318 5.756,1319 0.288,1320 0.175,1321 6.46,1322 3.499,1323 4.869,1324 0.187,1325 0.104,1326 5.858,1327 2.71,1328 3.708,1329 0.116,1330 0.05,1331 4.218,1332 1.608,1333 3,1334 0.075,1335 0.026,1336 3.417,1337 1.048,1338 0.589,1339 44.591,1340 0.334,1341 12.701,1342 1.312,1343 68,1344 213.697,1345 104.007,1346 271.215,1347 348.73,1348 250,1349 80,1350 209.937,1351 113.678,1352 233.656,1353 342.88,1354 219,1355 5.898} {0 CHEMBL157910,1 1.963,2 9.556,3 4.351,4 18.927,5 110.733,6 10.018,7 0.414,8 3.929,9 4.014,10 3.87,11 3.53,12 5.001,13 3.486,14 4.488,15 4.627,16 4.213,17 3.925,18 5.793,19 3.869,20 4.732,21 4.895,22 4.434,23 4.115,24 5.932,25 4.017,26 4.765,27 4.927,28 4.451,29 4.092,30 5.985,31 3.984,32 4.781,33 4.951,34 4.486,35 4.066,36 6.055,37 3.961,38 4.732,39 4.888,40 4.333,41 4.016,42 6.132,43 3.919,44 4.744,45 4.949,46 4.022,47 3.912,48 5.902,49 3.784,50 4.619,51 4.849,52 3.815,53 3.68,54 5.826,55 3.567,56 0.17,57 0.66,58 7.168,59 4.257,60 18.976,61 4.427,62 0.572,63 1.038,64 15.938,65 7.278,66 58.543,67 7.812,68 0.729,69 1.241,70 32.428,71 10.443,72 54.979,73 11.178,74 0.767,75 1.228,76 37.906,77 11.392,78 71.606,79 11.883,80 0.995,81 1.211,82 42.015,83 11.587,84 97.084,85 11.774,86 1.017,87 1.18,88 31.253,89 11.329,90 107.429,91 11.853,92 0.825,93 1.163,94 39.049,95 11.674,96 99.246,97 12.118,98 1.007,99 0.919,100 35.386,101 8.82,102 111.477,103 9.508,104 38,105 42,106 0.339,107 0.624,108 0.753,109 0.847,110 0.847,111 0.847,112 3.34,113 1.111,114 -3.32,115 -3.31,116 -3.17,119 37.8,124 1,125 4,140 5,142 7,169 1,171 1,172 2,174 2,176 1,178 5,181 1,182 7,184 1,186 3,189 4,193 5,197 4,199 2,202 2,203 2,206 1,208 1,211 3,214 2,215 6,218 2,220 1,222 3,226 1,231 1,233 7,237 2,240 2,241 1,244 3,249 4,259 1080,260 17.687,261 17.687,262 17.687,263 17.687,264 17.687,265 15.843,266 22.598,267 10.19,268 18.556,269 14.216,270 14.216,271 14.216,272 14.216,273 14.216,274 11.313,275 27.475,276 4.736,277 15.721,278 3.529,279 1.884,280 1.136,281 0.595,282 0.595,283 0.595,284 4.014,285 3,288 1,289 1,290 541,291 3.464,295 277.071,302 1.531,303 40.445,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 59.5,315 258,316 4.87,317 4.688,318 7.319,319 4.337,320 3.417,321 4.721,322 0.86,323 12.57,324 3.117,325 4.359,326 3.442,327 6.5,328 3.942,329 3.01,330 4.051,331 0.8,332 10.18,333 2.81,334 4.258,335 3.266,336 6.356,337 3.825,338 2.923,339 3.823,340 0.4,341 9.494,342 2.568,343 3.443,344 2.78,345 5.241,346 3.17,347 2.239,348 2.76,350 6.34,351 2.081,352 3.391,353 2.595,354 5.129,355 2.932,356 2.089,357 2.568,359 5.891,360 1.734,361 3.271,362 2.429,363 4.971,364 2.83,365 1.939,366 2.476,368 5.7,369 1.579,370 3.087,371 1.925,372 4.732,373 2.568,374 1.611,375 2.285,377 4.795,378 1.509,379 2.743,380 1.811,381 4.101,382 2.491,383 1.549,384 1.792,386 3.578,387 1.454,388 2.225,389 1.518,390 3.482,391 1.967,392 1,393 1.19,395 2.477,396 0.965,397 2,398 1.185,399 3.417,400 1.955,401 1,402 1,404 2.136,405 0.952,406 1.712,407 1.146,408 3.247,409 1.422,410 0.575,411 0.632,413 1.298,414 0.474,415 1.684,416 1.05,417 3,418 1.223,419 0.5,420 0.564,422 0.893,423 0.297,424 1.14,425 0.357,426 2.786,427 0.7,428 -0.187,429 -0.235,431 -0.525,432 -0.155,433 1,434 0.263,435 2.669,436 0.542,437 -0.382,438 -0.441,440 -0.775,441 -0.306,442 0.873,443 0.018,444 2.536,445 0.276,446 -0.562,447 -0.653,449 -1.347,450 -0.35,451 13.676,452 0.507,453 0.858,454 0.032,455 34.25,456 1.269,457 16.5,458 0.611,459 17.75,460 0.657,461 24.611,462 0.912,463 30.124,464 0.669,465 26.868,466 0.995,467 6.61,468 0.245,469 6.203,470 0.23,471 0.242,472 0.061,473 0.285,479 0.635,480 1.465,481 0.595,482 1.073,483 0.645,484 0.859,485 0.869,486 1.075,487 0.662,488 0.721,489 0.566,490 0.751,491 0.931,492 1,493 0.859,494 0.906,495 0.823,496 0.896,497 0.997,498 1.174,499 0.799,500 1.046,501 1.101,502 1.004,503 0.969,504 0.893,505 0.653,506 0.866,507 1.18,508 0.898,509 0.666,510 1.134,511 0.799,512 1.157,513 0.747,514 1.037,515 1.204,516 1.145,517 0.979,518 1.089,519 1.465,520 0.999,521 1.439,522 0.556,523 0.983,524 0.609,525 1.803,526 0.795,527 7,528 0.153,529 4,530 2.5,531 1.969,532 1.41,533 0.731,534 0.392,535 0.295,536 0.25,537 7855,538 29699,539 1.984,540 40,542 16,545 2,550 1.705,551 1.81,552 3.244,553 0.377,555 1,559 88.323,560 1.963,561 3.608,562 4.356,563 4.897,564 4.897,565 4.897,566 2.672,567 4.459,568 4.729,569 3.414,570 1198.37,571 8.232,572 15113.3,574 1,577 247.133,578 1.698,579 4.65,580 0.241,581 0.008,582 0.095,583 0.056,584 0.047,585 0.034,586 0.018,587 0.013,588 0.012,589 0.011,590 0.536,591 0.33,592 1,593 0.834,594 132.15,595 0.003,596 -0.212,597 0.074,598 -0.102,599 -0.127,600 0.006,602 0.074,603 0.033,604 0.164,605 0.212,606 0.115,607 -0.046,608 0.075,609 0.04,610 0.065,611 0.022,612 0.043,613 -0.037,614 -0.157,615 0.1,616 -0.037,617 -0.037,618 -0.04,619 0.088,620 0.099,621 0.211,622 0.114,623 -0.001,624 0.057,625 0.345,626 -0.124,627 0.056,628 -0.119,629 0.349,630 -0.068,631 -0.197,632 -0.17,633 -0.076,634 -0.043,635 -0.161,636 0.006,637 -0.242,638 0.353,639 -0.062,640 0.26,641 -0.3,642 0.164,643 4.822,644 5.883,645 0.667,646 22.667,647 1.029,648 1.125,649 2.091,650 4.373,651 0.721,652 3.401,653 3.761,654 4.007,655 4.234,656 4.466,657 4.522,658 4.511,659 4.533,660 4.585,661 4.605,662 5.958,663 0.68,664 450.8,665 3.401,666 4.963,667 5.814,668 6.708,669 7.58,670 8.478,671 9.357,672 10.256,673 11.138,674 12.038,675 6.7,677 1,680 1,681 1,688 5,693 7,695 12,709 1,712 1,713 3,714 45,716 14,717 2,718 29,720 47,721 17,722 12,723 7,724 5,730 3,731 3,732 3,745 12,746 5,750 2,753 1,755 2,761 1,764 18,765 6,766 2,767 10,768 4,773 3,777 1,778 3,793 3,814 1,819 3,821 1,823 1,824 3,827 27,830 1,833 4,834 2,835 1,838 1,846 3,847 6.7,850 2,852 1,854 14.917,855 8.212,856 5.903,857 2.482,858 2.221,859 1.313,860 0.984,861 6.659,862 9.307,863 3.638,864 4.277,865 4.766,866 5.281,867 5.799,868 6.039,869 6.176,870 6.32,871 6.528,872 6.781,873 1,874 45,875 10.271,877 4.683,878 7.997,879 18.717,881 15.437,883 2.497,884 67.417,887 1,888 188.338,889 95.304,890 37.54,891 117.446,892 55.313,894 5.807,895 89.497,896 361.096,897 37.54,898 10.883,899 8.423,900 71.199,901 60.718,902 36.934,904 188.338,905 117.446,906 188.338,907 127.037,908 55.313,909 123.253,911 188.338,912 55.313,915 26.434,916 84.198,917 139.658,919 188.338,920 92.853,921 212.75,923 5.807,924 188.338,925 31.232,926 61.389,927 34.416,928 172.759,929 188.338,930 92.853,931 212.75,933 0.592,934 0.349,935 0.181,936 0.102,937 20,938 10,939 0.106,940 5,942 1,943 3.676,944 232.531,946 18,947 122.382,950 1,951 20.828,952 8.633,953 4.752,955 92.853,956 7.561,961 2.061,963 34.416,964 493.94,965 37,968 -3.905,970 25.767,975 46.287,976 50.612,977 0.357,978 0.657,979 0.793,980 0.892,981 0.892,982 0.892,983 4.905,984 1.549,985 5.855,986 4.795,987 4.443,988 4.963,989 1.324,990 6.73,991 4.248,992 6.156,993 1,994 7.469,995 3.578,996 4.29,997 5.156,998 0.325,999 7.958,1000 3.931,1001 7.523,1002 1,1003 9.196,1004 2.477,1005 6.151,1006 7.296,1007 0.958,1008 11.001,1009 5.787,1010 8.932,1011 0.575,1012 10.989,1013 2.136,1014 6.781,1015 8.269,1016 0.268,1017 13.025,1018 6.256,1019 10.377,1020 0.5,1021 12.826,1022 1.298,1023 8.192,1024 9.993,1025 0.736,1026 15.676,1027 7.652,1028 11.845,1029 -0.187,1030 14.693,1031 0.893,1032 9.151,1033 11.28,1034 0.188,1035 17.998,1036 8.471,1037 13.333,1038 -0.382,1039 16.582,1040 -0.525,1041 10.411,1042 12.87,1043 0.57,1044 20.54,1045 9.688,1046 3.417,1047 -0.562,1048 18.488,1049 -0.775,1050 11.507,1051 14.29,1052 0.125,1053 22.976,1054 10.666,1055 3.01,1056 12.57,1057 20.406,1058 -1.347,1059 12.718,1060 15.836,1061 0.439,1062 25.491,1063 11.814,1064 2.923,1065 10.18,1066 22.335,1067 4.721,1068 13.874,1069 17.314,1070 0.082,1071 27.974,1072 12.864,1073 2.239,1074 9.494,1075 24.273,1076 4.051,1077 15.073,1078 18.848,1079 0.334,1080 30.487,1081 13.987,1082 2.089,1083 6.34,1084 26.218,1085 3.823,1086 16.255,1087 20.356,1088 0.054,1089 32.992,1090 15.071,1091 1.939,1092 5.891,1093 28.168,1094 2.76,1095 17.455,1096 21.889,1097 0.252,1098 35.509,1099 16.188,1100 1.611,1101 5.7,1102 30.123,1103 2.568,1104 18.65,1105 23.412,1106 0.035,1107 38.024,1108 17.289,1109 7774,1110 15390,1111 18.493,1112 32.455,1113 43.466,1114 45.943,1115 45.471,1116 43.888,1117 43.701,1118 55.724,1119 4.12,1120 130.703,1121 39.082,1122 5.87,1123 6.688,1124 7.121,1125 5.409,1126 5.417,1127 7.721,1128 1.72,1129 20.08,1130 5.117,1131 15.926,1132 1.499,1133 1.584,1134 1.568,1135 1.513,1136 1.507,1137 1.922,1138 0.142,1139 4.507,1140 1.348,1141 4.104,1142 4.092,1143 4.739,1144 4.08,1145 7.717,1146 4.005,1147 3.893,1148 3.917,1149 4.152,1150 3.845,1151 6.999,1152 3.833,1153 3.777,1154 3.812,1155 3.826,1156 3.631,1157 5.085,1158 3.596,1159 3.58,1160 3.571,1161 3.662,1162 3.442,1163 4.838,1164 3.409,1165 3.195,1166 3.267,1167 3.542,1168 2.941,1169 4.693,1170 2.918,1171 3.111,1172 3.206,1173 3.4,1174 2.919,1175 4.488,1176 2.91,1177 2.98,1178 3.076,1179 3.007,1180 2.896,1181 4.404,1182 2.858,1183 2.925,1184 2.914,1185 2.866,1186 2.776,1187 4.292,1188 2.778,1189 0.168,1190 0.162,1191 0.252,1192 0.15,1193 0.118,1194 4.87,1195 0.163,1196 4.688,1197 0.03,1198 7.319,1199 0.433,1200 4.337,1201 0.107,1202 3.417,1203 4.721,1204 0.86,1205 12.57,1206 3.117,1207 1.979,1208 1.986,1209 2.02,1210 2.078,1211 1.289,1212 2.094,1213 1.856,1214 1.842,1215 1.886,1216 1.958,1217 1.142,1218 1.972,1219 1.699,1220 1.643,1221 1.854,1222 1.867,1223 1.032,1224 1.881,1225 1.415,1226 1.44,1227 1.568,1228 1.609,1229 0.825,1230 1.634,1231 1.153,1232 1.07,1233 1.513,1234 1.433,1235 0.615,1236 1.466,1237 1.147,1238 1.064,1239 1.214,1240 1.376,1241 0.513,1242 1.429,1243 0.935,1244 0.857,1245 1.18,1246 1.216,1247 0.352,1248 1.222,1249 0.837,1250 0.83,1251 1.05,1252 0.996,1253 0.144,1254 1.024,1255 4.078,1257 5.425,1259 6.973,1261 8.608,1263 10.287,1265 1.557,1266 18.043,1271 3.135,1272 5.715,1273 5.402,1276 2.081,1280 30.619,1281 88.323,1282 162.351,1283 196.014,1284 220.379,1285 220.379,1286 220.379,1287 66.894,1288 7.087,1289 70.67,1290 79.05,1291 18,1292 12.564,1293 3.907,1294 3.17,1295 46.767,1296 96,1297 88,1298 0.24,1299 202.597,1300 351.45,1301 486.096,1302 10298,1303 6.7,1304 19.604,1305 0.726,1306 0.649,1307 21.354,1308 17.514,1309 12.814,1310 0.442,1311 0.37,1312 8.21,1313 10.691,1314 7.802,1315 6.406,1316 14.501,1317 10.744,1318 12.106,1319 0.288,1320 0.21,1321 14.519,1322 8.829,1323 9.842,1324 0.182,1325 0.121,1326 12.14,1327 6.539,1328 7.878,1329 0.116,1330 0.068,1331 9.856,1332 4.612,1333 6.272,1334 0.073,1335 0.04,1336 8.299,1337 3.438,1338 0.369,1339 98.191,1340 0.233,1341 25.526,1342 0.682,1343 142,1344 482.988,1345 238.147,1346 569.476,1347 732.69,1348 522,1349 167,1350 431.181,1351 264.924,1352 501.39,1353 733.38,1354 467,1355 5.5} {0 CHEMBL158627,1 1.626,2 16.971,3 4.626,4 21.395,5 132.16,6 7.487,7 0.324,8 4.257,9 4.363,10 3.952,11 3.827,12 5.264,13 3.777,14 4.854,15 5.016,16 4.211,17 4.223,18 6.086,19 4.158,20 5.16,21 5.38,22 4.152,23 4.367,24 6.138,25 4.246,26 5.201,27 5.466,28 4.069,29 4.329,30 6.081,31 4.171,32 5.133,33 5.393,34 4.038,35 4.229,36 6.099,37 4.092,38 5.033,39 5.27,40 3.996,41 4.183,42 6.014,43 4.055,44 5.037,45 5.287,46 3.918,47 4.172,48 5.964,49 4.027,50 4.977,51 5.228,52 3.843,53 4.131,54 5.972,55 3.972,56 0.1,57 0.984,58 16.972,59 7.021,60 19.631,61 8.417,62 0.527,63 1.625,64 29.813,65 11.611,66 79.488,67 14.804,68 0.551,69 2.037,70 40.892,71 15.277,72 90.12,73 19.966,74 0.469,75 2.029,76 46.086,77 16.389,78 76.481,79 22.241,80 0.574,81 1.788,82 43.03,83 14.759,84 89.085,85 19.941,86 0.512,87 1.709,88 39.221,89 13.288,90 84.265,91 17.583,92 0.588,93 1.688,94 38.909,95 13.74,96 79.88,97 18.349,98 0.609,99 1.613,100 36.705,101 13.2,102 103.412,103 17.826,104 28,105 52,106 0.259,107 0.566,108 0.747,109 0.825,110 0.844,111 0.854,112 3.559,113 1.097,114 -4.83,115 -4.74,116 -4.45,119 40,121 5,122 1,124 1,125 3,127 1,134 2,140 7,141 3,142 2,156 1,169 15,171 3,172 6,174 1,176 3,178 17,182 6,186 3,189 12,193 11,197 2,199 6,202 1,203 10,208 3,211 8,215 5,220 2,222 12,225 2,226 2,229 1,233 17,237 1,244 16,248 1,249 5,254 2,256 9,259 2330,260 22.375,261 22.375,262 22.375,263 22.375,264 22.375,265 20.238,266 24.606,267 13.155,268 22.703,269 18.325,270 18.325,271 18.325,272 18.325,273 18.325,274 14.985,275 32.28,276 6.393,277 18.912,278 4.397,279 2.462,280 1.329,281 0.835,282 0.719,283 0.658,284 4.253,289 1,290 1239,291 4.359,294 90.222,295 378.5,298 169.888,302 2.856,303 42.759,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 74.5,315 577,316 4.646,317 5.052,318 6.463,319 4.091,320 3.154,321 4.444,322 3.324,323 10.223,324 2.978,325 4.305,326 3.475,327 6.26,328 3.954,329 2.987,330 3.919,331 1.058,332 9.548,333 2.846,334 4.054,335 3.318,336 5.565,337 3.696,338 2.71,339 3.659,340 0.995,341 7.611,342 2.67,343 3.812,344 2.915,345 5.421,346 3.604,347 2.619,348 3.053,349 0.359,350 7.179,351 2.582,352 3.613,353 2.762,354 5.301,355 3.392,356 2.407,357 2.866,359 6.863,360 2.368,361 3.548,362 2.658,363 5.204,364 3.223,365 2.273,366 2.721,368 6.596,369 2.146,370 3.406,371 2.362,372 5.002,373 3.069,374 2.11,375 2.563,377 5.824,378 2.015,379 3.163,380 2.343,381 4.903,382 2.927,383 1.946,384 2.216,386 5.721,387 1.889,388 2.994,389 2.146,390 4.716,391 2.807,392 1.843,393 2.043,395 5.208,396 1.759,397 2.864,398 1.859,399 4.41,400 2.513,401 1.519,402 1.963,404 4.293,405 1.509,406 2.5,407 1.745,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.374,416 1.007,417 3.414,418 2,419 1,420 1.044,422 2.275,423 1,424 2,425 1,426 3.284,427 1.731,428 0.753,429 1,431 1.779,432 0.733,433 1.757,434 1,435 3.225,436 1.621,437 0.63,438 0.703,440 1.469,441 0.619,442 1.691,443 0.853,444 3.125,445 1.464,446 0.492,447 0.579,449 1.253,450 0.476,451 16.252,452 0.478,453 1.027,454 0.03,455 39.75,456 1.169,457 18.5,458 0.544,459 21.25,460 0.625,461 33.066,462 0.973,463 38.348,464 0.59,465 30.046,466 0.884,467 7.311,468 0.215,469 8.921,470 0.262,471 0.11,472 0.051,473 0.271,477 1,479 0.528,480 1.21,481 0.811,482 1.268,483 0.572,484 1.035,485 0.585,486 1.086,487 0.953,488 1.111,489 0.413,490 1.055,491 1,492 1.006,493 0.954,494 0.958,495 0.847,496 1.094,497 0.652,498 0.933,499 0.875,500 0.98,501 0.565,502 1.012,503 0.789,504 0.795,505 0.807,506 0.848,507 0.788,508 0.9,509 0.938,510 0.917,511 0.995,512 0.984,513 0.93,514 1.017,515 0.768,516 0.834,517 0.929,518 0.934,519 0.82,520 1.007,521 0.617,522 0.828,523 0.924,524 0.964,525 0.607,526 1.043,527 9.5,528 0.198,529 2.889,530 1.854,531 1.818,532 0.851,533 0.779,534 0.593,535 0.162,536 0.268,537 20902,538 62104,539 2.052,540 47.7,541 5,542 19,545 1,547 6,550 1.751,551 1.915,552 3.997,553 -0.363,559 105.662,560 1.626,561 3.56,562 4.693,563 5.188,564 5.303,565 5.365,566 3.528,567 4.653,568 5.056,569 4.234,570 2375.5,571 8.815,572 40689,577 391.454,578 1.533,579 5.01,580 0.257,581 0.007,582 0.056,583 0.04,584 0.044,585 0.021,586 0.02,587 0.016,588 0.005,589 0.009,590 0.477,591 0.17,592 0.88,593 0.856,594 189.815,595 0.071,596 -0.089,597 0.197,598 -0.073,599 -0.069,600 0.022,601 0.211,602 -0.059,603 -0.042,604 -0.091,605 0.258,606 -0.06,607 -0.131,608 -0.05,609 -0.12,610 -0.044,611 -0.066,612 -0.117,613 0.003,614 -0.05,615 0.03,616 -0.04,617 0.034,618 -0.008,619 -0.004,620 0.004,621 0.091,622 0.059,624 0.082,625 -0.092,626 -0.031,627 -0.053,628 -0.033,629 -0.063,630 -0.037,631 0.01,632 0.029,633 -0.032,634 -0.007,635 -0.038,636 -0.02,637 0.092,638 0.036,639 -0.03,640 -0.02,641 0.087,642 -0.039,643 4.435,644 5.22,645 0.618,646 48.799,647 1.005,648 1.128,649 3.598,650 12.948,651 0.659,652 3.638,653 3.97,654 4.111,655 4.357,656 4.564,657 4.575,658 4.71,659 4.86,660 4.804,661 4.898,662 9.828,663 0.621,664 486.66,665 3.638,666 5.187,667 5.999,668 6.87,669 7.698,670 8.568,671 9.405,672 10.274,673 11.118,674 11.988,675 3.1,678 1,682 1,688 7,693 5,695 12,713 1,714 65,716 16,717 2,718 37,720 68,721 26,722 12,723 5,724 7,725 3,730 4,731 5,740 5,741 1,743 6,745 15,746 11,747 1,750 4,753 1,755 3,757 2,759 1,762 1,764 31,765 7,766 1,767 8,768 1,773 2,777 0.75,778 4,792 1,793 3,796 1,805 1,810 2,815 1,819 3,821 1,823 1,825 1,827 34,831 1,833 8,834 1,835 1,837 2,838 1,846 1,847 6.2,850 3,852 1,854 17.75,855 11.593,856 7.236,857 3.988,858 2.702,859 1.336,860 0.975,861 7.951,862 10.756,863 3.871,864 4.431,865 4.766,866 5.254,867 5.737,868 5.845,869 6.096,870 6.386,871 6.249,872 6.291,873 1,874 46,875 12.849,877 5.699,878 7.929,879 24.389,881 20.714,883 2.429,884 82.583,888 353.133,889 147.842,890 21.135,892 78.003,893 14.96,894 7.75,895 140.092,896 431.136,897 36.095,898 7.19,899 37.001,900 93.036,901 74.163,902 35.591,903 14.96,904 353.133,906 353.133,907 161.227,908 92.963,909 7.75,911 297.467,912 148.63,915 40.125,916 102.15,917 26.702,919 368.093,920 99.138,921 147.842,923 7.75,924 353.133,925 47.616,926 95.601,927 18.011,928 92.963,929 353.133,930 114.098,931 147.842,933 0.588,934 0.303,935 0.157,936 0.09,937 24,938 11,939 0.118,940 8,941 1,942 1.095,943 4.72,944 292.834,945 0.095,946 21,947 162.974,950 1,951 24.751,952 10.922,953 7.571,955 114.098,956 11.544,961 3.225,963 18.011,964 615.074,965 47,968 -3.519,970 34.932,972 3.21,974 -0.109,975 65.356,976 73.322,977 0.27,978 0.591,979 0.779,980 0.861,981 0.881,982 0.891,983 5.13,984 1.946,985 6.009,986 5.824,987 4.654,988 5.118,989 3.31,990 6.777,991 4.591,992 6.338,993 1.843,994 7.543,995 5.721,996 4.369,997 5.139,998 0.325,999 7.727,1000 4.232,1001 7.658,1002 1.519,1003 9.17,1004 5.208,1005 6.263,1006 7.297,1007 5.518,1008 10.641,1009 6.128,1010 9.008,1011 1,1012 10.851,1013 4.293,1014 6.711,1015 8.093,1016 0.504,1017 12.355,1018 6.493,1019 10.39,1020 1,1021 12.565,1022 2.275,1023 8.131,1024 9.818,1025 7.902,1026 14.843,1027 7.909,1028 11.794,1029 0.753,1030 14.303,1031 2.275,1032 8.914,1033 10.957,1034 0.585,1035 16.889,1036 8.61,1037 13.216,1038 0.63,1039 16.059,1040 1.779,1041 10.147,1042 12.526,1043 10.303,1044 19.242,1045 9.826,1046 3.154,1047 0.492,1048 17.829,1049 1.469,1050 11.098,1051 13.829,1052 0.622,1053 21.435,1054 10.699,1055 2.987,1056 10.223,1057 19.612,1058 1.253,1059 12.255,1060 15.336,1061 12.705,1062 23.748,1063 11.823,1064 2.71,1065 9.548,1066 21.404,1067 4.444,1068 13.29,1069 16.721,1070 0.639,1071 26.004,1072 12.786,1073 2.619,1074 7.611,1075 23.205,1076 3.919,1077 14.418,1078 18.205,1079 15.107,1080 28.307,1081 13.871,1082 2.407,1083 7.179,1084 25.015,1085 3.659,1086 15.496,1087 19.633,1088 0.646,1089 30.591,1090 14.881,1091 2.273,1092 6.863,1093 26.831,1094 3.053,1095 16.616,1096 21.108,1097 17.51,1098 32.894,1099 15.95,1100 2.11,1101 6.596,1102 28.652,1103 2.866,1104 17.716,1105 22.559,1106 0.648,1107 35.191,1108 16.986,1109 19862,1110 34484,1111 24.444,1112 42.836,1113 55.347,1114 58.595,1115 55.602,1116 55.077,1117 54.884,1118 68.545,1119 11.472,1120 156.235,1121 53.183,1122 5.646,1123 7.052,1124 5.877,1125 5.121,1126 5.154,1127 7.444,1128 6.648,1129 16.634,1130 4.978,1131 18.66,1132 1.496,1133 1.584,1134 1.503,1135 1.489,1136 1.483,1137 1.853,1138 0.31,1139 4.223,1140 1.437,1141 4.06,1142 4.081,1143 4.709,1144 3.982,1145 8.201,1146 3.959,1147 3.947,1148 3.976,1149 3.947,1150 3.872,1151 7.722,1152 3.868,1153 3.897,1154 3.928,1155 3.882,1156 3.83,1157 7.43,1158 3.775,1159 3.859,1160 3.819,1161 3.77,1162 3.78,1163 6.999,1164 3.694,1165 3.594,1166 3.637,1167 3.517,1168 3.429,1169 4.801,1170 3.441,1171 3.469,1172 3.519,1173 3.364,1174 3.32,1175 4.683,1176 3.317,1177 3.248,1178 3.313,1179 3.118,1180 3.101,1181 4.354,1182 3.093,1183 3.111,1184 3.206,1185 2.926,1186 2.941,1187 4.259,1188 2.91,1189 0.126,1190 0.137,1191 0.175,1192 0.111,1193 0.085,1194 4.646,1195 0.12,1196 5.052,1197 0.09,1198 6.463,1199 0.276,1200 4.091,1201 0.08,1202 3.154,1203 4.444,1204 3.324,1205 10.223,1206 2.978,1207 1.924,1208 1.895,1209 2.117,1210 2.061,1211 1.529,1212 2.082,1213 1.901,1214 1.893,1215 2.014,1216 1.992,1217 1.177,1218 2.003,1219 1.898,1220 1.852,1221 1.984,1222 1.986,1223 1.152,1224 2.001,1225 1.633,1226 1.684,1227 1.817,1228 1.816,1229 1.091,1230 1.837,1231 1.592,1232 1.529,1233 1.633,1234 1.766,1235 0.905,1236 1.819,1237 1.471,1238 1.428,1239 1.594,1240 1.671,1241 0.875,1242 1.659,1243 1.259,1244 1.188,1245 1.526,1246 1.453,1247 0.825,1248 1.483,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.635,1254 1.429,1255 4.317,1257 5.645,1258 2.398,1259 7.132,1260 4.727,1261 8.688,1262 6.823,1263 10.282,1265 1.053,1267 12.966,1271 7.952,1272 3.087,1273 5.003,1275 0.849,1276 2.392,1280 40.374,1281 105.662,1282 231.425,1283 305.073,1284 337.189,1285 344.699,1286 348.699,1287 79.395,1288 8.054,1289 75.71,1290 84.09,1291 23,1292 12.537,1293 4.087,1294 3.459,1295 57.564,1296 203,1297 198,1298 0.135,1299 249.081,1300 447.74,1301 599.518,1302 43639,1303 1.5,1304 24.131,1305 0.71,1306 0.594,1307 23.511,1308 20.191,1309 16.231,1310 0.439,1311 0.366,1312 11.728,1313 14.915,1314 11.292,1315 9.331,1316 16.764,1317 13.528,1318 15.81,1319 0.304,1320 0.21,1321 16.57,1322 10.903,1323 11.31,1324 0.189,1325 0.118,1326 11.35,1327 7.052,1328 9.315,1329 0.121,1330 0.068,1331 9.698,1332 5.235,1333 7.648,1334 0.081,1335 0.04,1336 7.725,1337 3.823,1338 0.225,1339 110.881,1340 0.202,1341 32.78,1342 0.336,1343 178,1344 571.892,1345 227.113,1346 542.091,1347 712.23,1348 498,1349 201,1350 479.049,1351 256.16,1352 513.018,1353 733.54,1354 478,1355 5.9} {0 CHEMBL158941,1 1.588,2 20.75,3 5.67,4 32.153,5 198.419,6 7.219,7 0.5,8 4.636,9 4.757,10 4.346,11 4.191,12 5.597,13 4.122,14 5.223,15 5.419,16 4.623,17 4.607,18 6.346,19 4.522,20 5.445,21 5.621,22 4.663,23 4.811,24 6.471,25 4.677,26 5.693,27 5.945,28 4.657,29 4.842,30 6.672,31 4.679,32 5.59,33 5.841,34 4.69,35 4.784,36 6.588,37 4.64,38 5.511,39 5.706,40 4.686,41 4.782,42 6.609,43 4.653,44 5.62,45 5.88,46 4.568,47 4.746,48 6.609,49 4.592,50 5.465,51 5.704,52 4.453,53 4.651,54 6.415,55 4.506,56 0.17,57 1.472,58 28.045,59 9.599,60 27.883,61 12.605,62 0.805,63 2.366,64 48.086,65 15.886,66 95.137,67 21.222,68 0.368,69 2.858,70 61.937,71 23.04,72 72.235,73 28.87,74 0.772,75 3.214,76 78.949,77 26.797,78 142.314,79 35.271,80 0.634,81 2.993,82 73.157,83 24.81,84 103.943,85 32.257,86 0.482,87 2.899,88 63.962,89 22.587,90 99.569,91 29.29,92 0.915,93 3.007,94 74.971,95 24.575,96 116.196,97 32.84,98 0.693,99 2.646,100 65.637,101 20.791,102 101.627,103 27.964,104 113,105 76,106 0.231,107 0.485,108 0.64,109 0.695,110 0.703,111 0.703,112 3.894,113 1.116,114 -3.15,115 -3.14,116 -3.02,119 37.5,121 2,124 6,125 6,140 10,141 8,149 2,150 2,169 18,171 6,172 4,176 6,178 18,182 12,186 6,189 13,193 22,197 2,199 6,203 24,206 2,211 4,215 18,222 8,225 1,226 12,229 6,233 16,244 20,248 10,254 2,256 18,259 5592,260 31.114,261 31.114,262 31.114,263 31.114,264 31.114,265 27.501,266 38.385,267 17.883,268 31.765,269 25.64,270 25.64,271 25.64,272 25.64,273 25.64,274 19.882,275 45.051,276 8.544,277 26.698,278 4.997,279 3.252,280 2.185,281 1.813,282 1.756,283 1.756,284 4.587,289 1,290 2136,291 6.083,294 299.308,295 518.183,298 521.901,302 3.271,303 54.536,306 0.75,307 0.5,308 0.67,309 0.7,310 0.5,311 0.67,312 0.5,313 0.61,314 103,315 996,316 4.801,317 4.554,318 7.268,319 4.311,320 3.38,321 4.582,322 1.416,323 12.28,324 3.135,325 4.8,326 4.554,327 7.267,328 4.307,329 3.377,330 4.582,331 1.416,332 12.279,333 3.129,334 4.543,335 3.166,336 6.546,337 4.068,338 3.082,339 4.482,340 0.8,341 10.356,342 3.032,343 4.543,344 3.165,345 6.546,346 4.068,347 3.082,348 4.482,349 0.8,350 10.356,351 3.03,352 4.035,353 2.922,354 5.544,355 3.636,356 2.644,357 3.635,358 0.657,359 7.536,360 2.619,361 3.665,362 2.72,363 5.375,364 3.329,365 2.348,366 3.08,367 0.657,368 6.926,369 2.308,370 3.658,371 2.602,372 5.316,373 3.301,374 2.32,375 3.077,377 6.744,378 2.285,379 3.499,380 2.588,381 5.183,382 3.182,383 2.227,384 2.781,386 6.463,387 2.149,388 3.368,389 2.449,390 5.115,391 3.118,392 2.18,393 2.674,395 5.981,396 2.04,397 3.366,398 2.392,399 5.097,400 3.098,401 2.133,402 2.672,404 5.968,405 2.032,406 3.145,407 2.096,408 4.624,409 2.847,410 1.881,411 2.182,413 5.024,414 1.808,415 3.145,416 2.057,417 4.624,418 2.845,419 1.877,420 2.182,422 5.024,423 1.807,424 2.723,425 1.934,426 4.471,427 2.372,428 1.451,429 1.815,431 3.983,432 1.328,433 2.718,434 1.783,435 4.385,436 2.258,437 1.312,438 1.813,440 3.644,441 1.243,442 2.646,443 1.308,444 4.121,445 2.235,446 1.256,447 1.627,449 3.421,450 1.228,451 23.4,452 0.488,453 1.648,454 0.034,455 58.5,456 1.219,457 28,458 0.583,459 30.5,460 0.635,461 51.68,462 1.077,463 54,464 0.562,465 56.648,466 1.18,467 11.402,468 0.238,469 11.294,470 0.235,471 0.185,472 0.071,473 0.282,479 0.558,480 1.549,481 0.893,482 1.343,483 0.658,484 1.085,485 0.854,486 0.851,487 0.98,488 0.822,489 0.548,490 0.796,491 1.073,492 1.329,493 1.354,494 1.4,495 1.072,496 1.294,497 1.211,498 0.98,499 0.971,500 0.943,501 1.299,502 0.968,503 1.011,504 0.919,505 0.938,506 0.938,507 0.993,508 0.864,509 1.253,510 1.298,511 1.132,512 1.25,513 1.362,514 1.226,515 0.941,516 0.909,517 0.992,518 0.979,519 0.987,520 0.944,521 1.217,522 1.028,523 1.133,524 1.077,525 1.291,526 1.015,527 14,528 0.41,529 6.667,530 3.458,531 3.449,532 1.813,533 1.778,534 1.241,535 0.535,536 0.656,537 50664,538 119955,539 2.005,540 50,542 40,543 2,545 2,547 4,550 1.837,551 1.834,552 4.276,553 0.106,559 152.451,560 1.588,561 3.333,562 4.4,563 4.772,564 4.829,565 4.829,566 3.689,567 4.22,568 5.556,569 4.508,570 5085.53,571 9.832,572 110550,577 632.156,578 1.697,579 5.483,580 0.269,581 0.007,582 0.088,583 0.046,584 0.049,585 0.024,586 0.025,587 0.019,588 0.009,589 0.013,590 0.548,591 0.33,592 0.5,593 1.161,594 294.213,595 0.146,596 -0.259,597 0.243,598 -0.113,599 -0.138,600 -0.003,601 0.178,602 0.329,603 0.072,604 0.22,605 0.252,606 0.19,607 -0.129,608 -0.207,609 -0.236,610 -0.237,611 -0.071,612 -0.243,613 -0.104,614 -0.029,615 0.021,616 0.043,617 -0.073,618 0.019,619 0.004,620 0.067,621 0.122,622 0.097,623 0.054,624 0.136,625 -0.111,626 -0.242,627 -0.114,628 -0.197,629 -0.081,630 -0.216,631 0.09,632 0.064,633 0.019,634 0.005,635 0.045,636 0.036,637 -0.128,638 -0.031,639 -0.084,640 -0.044,641 -0.13,642 -0.018,643 4.494,644 6.321,645 0.5,646 80.333,647 0.996,648 1.129,649 1.92,650 3.686,651 0.658,652 3.97,653 4.344,654 4.554,655 4.779,656 5.004,657 5.081,658 5.263,659 5.416,660 5.333,661 5.416,662 11.844,663 0.609,664 693.04,665 3.97,666 5.549,667 6.392,668 7.284,669 8.149,670 9.041,671 9.917,672 10.809,673 11.69,674 12.583,675 6.3,678 4,683 2,687 4,688 12,690 2,693 6,695 26,714 96,716 30,717 3,718 52,720 100,721 36,722 22,723 8,724 10,730 5,731 7,743 2,745 22,746 14,750 4,753 2,755 4,764 48,765 8,766 2,767 12,768 2,773 6,777 0.6,778 4,788 2,792 2,793 3,796 2,815 2,819 3,821 2,823 6,827 48,830 2,833 8,838 4,847 4.2,850 4,854 26.167,855 18.8,856 10.194,857 5.347,858 4.946,859 1.546,860 0.992,861 11.407,862 14.006,863 4.248,864 4.92,865 5.418,866 5.997,867 6.52,868 6.836,869 7.278,870 7.677,871 7.626,872 7.82,873 0.929,874 75,875 18.353,877 8.241,878 7.74,879 34.7,881 29.142,883 2.24,884 107.5,888 541.471,889 218.689,890 42.857,892 88.626,894 11.615,895 207.074,896 630.097,897 42.857,898 50.378,899 15.291,900 124.472,901 88.626,902 67.116,903 27.83,904 517.928,906 541.471,907 249.931,908 88.626,909 11.615,911 494.386,912 135.71,915 58.148,916 191.783,917 11.615,919 541.471,920 131.483,921 218.689,923 11.615,924 541.471,925 43.839,926 172.521,927 33.571,928 88.626,929 541.471,930 131.483,931 218.689,933 0.599,934 0.328,935 0.16,936 0.092,937 35,938 18,939 0.16,940 16,941 2,942 1.167,943 5.59,944 490.701,945 0.167,946 24,947 208.078,950 2,951 36.12,952 15.159,953 9.301,954 4.113,955 97.912,956 23.012,958 6.577,961 5.495,963 33.571,964 891.643,965 69,968 -7.154,970 53.283,975 95.628,976 108.387,977 0.241,978 0.506,979 0.668,980 0.725,981 0.733,982 0.733,983 5.519,984 2.227,985 6.438,986 6.744,987 5.03,988 5.609,989 2.539,990 7.295,991 4.953,992 6.781,993 2.18,994 8.041,995 6.463,996 4.89,997 5.802,998 0.57,999 8.518,1000 4.749,1001 8.147,1002 2.133,1003 9.754,1004 5.981,1005 6.735,1006 7.982,1007 2.932,1008 11.522,1009 6.573,1010 9.556,1011 1.881,1012 11.536,1013 5.968,1014 7.366,1015 8.961,1016 0.479,1017 13.557,1018 7.127,1019 10.999,1020 1.877,1021 13.363,1022 5.024,1023 8.767,1024 10.708,1025 3.531,1026 16.18,1027 8.5,1028 12.467,1029 1.451,1030 15.224,1031 5.024,1032 9.723,1033 12,1034 0.346,1035 18.507,1036 9.376,1037 13.955,1038 1.312,1039 17.109,1040 3.983,1041 10.977,1042 13.599,1043 4.193,1044 21.028,1045 10.589,1046 3.38,1047 1.256,1048 19.014,1049 3.644,1050 12.071,1051 15.018,1052 0.237,1053 23.458,1054 11.605,1055 3.377,1056 12.28,1057 20.933,1058 3.421,1059 13.279,1060 16.563,1061 4.877,1062 25.954,1063 12.76,1064 3.082,1065 12.279,1066 22.863,1067 4.582,1068 14.432,1069 18.035,1070 0.158,1071 28.423,1072 13.838,1073 3.082,1074 10.356,1075 24.802,1076 4.582,1077 15.628,1078 19.56,1079 5.568,1080 30.915,1081 14.972,1082 2.644,1083 10.356,1084 26.749,1085 4.482,1086 16.806,1087 21.054,1088 0.104,1089 33.4,1090 16.077,1091 2.348,1092 7.536,1093 28.701,1094 4.482,1095 18.001,1096 22.571,1097 6.261,1098 35.894,1099 17.206,1100 2.32,1101 6.926,1102 30.657,1103 3.635,1104 19.192,1105 24.075,1106 0.068,1107 38.387,1108 18.323,1109 48060,1110 74296,1111 33.402,1112 63.137,1113 78.925,1114 81.136,1115 81.122,1116 78.946,1117 78.805,1118 103.948,1119 11.494,1120 235.336,1121 75.723,1122 5.71,1123 6.554,1124 6.682,1125 5.381,1126 5.38,1127 7.582,1128 2.833,1129 19.556,1130 5.135,1131 31.962,1132 1.518,1133 1.56,1134 1.56,1135 1.518,1136 1.515,1137 1.999,1138 0.221,1139 4.526,1140 1.456,1141 4.19,1142 4.213,1143 4.739,1144 4.131,1145 7.718,1146 4.106,1147 4.135,1148 4.159,1149 4.721,1150 4.077,1151 7.711,1152 4.058,1153 4.009,1154 4.023,1155 4.089,1156 3.942,1157 6.999,1158 3.906,1159 3.956,1160 3.931,1161 4.063,1162 3.903,1163 6.999,1164 3.793,1165 3.845,1166 3.835,1167 3.853,1168 3.811,1169 4.973,1170 3.731,1171 3.656,1172 3.738,1173 3.517,1174 3.468,1175 4.942,1176 3.462,1177 3.646,1178 3.73,1179 3.508,1180 3.462,1181 4.728,1182 3.457,1183 3.436,1184 3.504,1185 3.321,1186 3.268,1187 4.337,1188 3.272,1189 0.092,1190 0.088,1191 0.14,1192 0.083,1193 0.065,1194 4.801,1195 0.088,1196 4.554,1197 0.027,1198 7.268,1199 0.236,1200 4.311,1201 0.06,1202 3.38,1203 4.582,1204 1.416,1205 12.28,1206 3.135,1207 1.998,1208 1.989,1209 2.062,1210 2.079,1211 1.329,1212 2.108,1213 1.987,1214 1.979,1215 2.05,1216 2.059,1217 1.317,1218 2.085,1219 1.934,1220 1.908,1221 2.042,1222 2.015,1223 1.239,1224 2.026,1225 1.734,1226 1.741,1227 1.906,1228 1.907,1229 1.182,1230 1.928,1231 1.704,1232 1.697,1233 1.906,1234 1.903,1235 1.145,1236 1.914,1237 1.671,1238 1.614,1239 1.743,1240 1.867,1241 1.02,1242 1.886,1243 1.638,1244 1.608,1245 1.693,1246 1.787,1247 0.938,1248 1.825,1249 1.45,1250 1.367,1251 1.691,1252 1.691,1253 0.799,1254 1.695,1255 4.654,1257 6.014,1258 3.045,1259 7.54,1260 5.416,1261 9.142,1262 7.516,1263 10.787,1265 11.335,1271 3.83,1276 7.007,1280 58.425,1281 152.451,1282 319.924,1283 422.369,1284 458.117,1285 463.627,1286 463.627,1287 132.506,1288 9.06,1289 112.82,1290 129.58,1291 28,1292 13.112,1293 4.954,1294 4.17,1295 85.515,1296 352,1297 315,1298 0.116,1299 365.939,1300 624.2,1301 884.651,1302 162116,1304 34.639,1305 0.722,1306 0.635,1307 35.139,1308 30.456,1309 22.696,1310 0.436,1311 0.372,1312 16.177,1313 20.315,1314 15.192,1315 12.746,1316 24.339,1317 19.349,1318 22.369,1319 0.294,1320 0.23,1321 25.054,1322 17.487,1323 17.208,1324 0.183,1325 0.131,1326 19.475,1327 12.356,1328 13.288,1329 0.113,1330 0.069,1331 14.904,1332 8.169,1333 11.004,1334 0.074,1335 0.041,1336 12.539,1337 6.112,1338 0.193,1339 158.346,1340 0.173,1341 42.728,1342 0.293,1343 256,1344 685.909,1345 348.144,1346 712.349,1347 959.1,1348 654,1349 298,1350 642.752,1351 406,1352 736.729,1353 1056.02,1354 678,1355 9.051} {0 CHEMBL159278,1 1.463,2 15.212,3 5.272,4 27.792,5 141.989,6 7.088,7 0.432,8 4.26,9 4.39,10 3.801,11 3.825,12 5.22,13 3.774,14 4.834,15 5.025,16 4.158,17 4.244,18 5.717,19 4.167,20 5.084,21 5.313,22 4.186,23 4.402,24 5.911,25 4.267,26 5.129,27 5.377,28 4.116,29 4.408,30 5.919,31 4.229,32 5.114,33 5.386,34 4.046,35 4.35,36 5.859,37 4.158,38 4.976,39 5.22,40 4.049,41 4.268,42 5.777,43 4.123,44 4.977,45 5.21,46 3.979,47 4.264,48 5.776,49 4.112,50 5.023,51 5.301,52 3.836,53 4.192,54 5.752,55 3.998,56 0.094,57 0.954,58 14.688,59 6.15,60 10.063,61 8.476,62 0.249,63 1.612,64 28.614,65 10.218,66 22.337,67 14.472,68 0.293,69 1.983,70 38.857,71 14.238,72 31.785,73 19.884,74 0.266,75 2.021,76 42.28,77 16.144,78 34.76,79 21.93,80 0.287,81 1.975,82 45.218,83 16.63,84 34.962,85 22.195,86 0.284,87 1.75,88 36.768,89 13.592,90 31.144,91 18.669,92 0.276,93 1.769,94 33.399,95 12.687,96 27.205,97 18.035,98 0.299,99 1.777,100 39.053,101 13.977,102 31.497,103 19.315,104 6,105 51,106 0.232,107 0.574,108 0.767,109 0.844,110 0.851,111 0.851,112 3.531,113 0.999,114 -4.96,115 -4.87,116 -4.56,119 41.5,121 4,124 1,125 5,134 1,135 1,140 7,141 4,142 1,149 1,150 1,156 1,166 1,169 14,172 7,176 4,178 15,182 5,186 7,189 13,193 5,197 4,199 10,203 5,206 1,208 2,211 8,215 4,218 1,220 4,222 9,225 1,226 3,231 4,233 9,237 3,240 1,242 1,244 10,249 2,253 1,254 1,256 12,259 2071,260 22.903,261 22.903,262 22.903,263 22.903,264 22.903,265 20.736,266 25.025,267 13.49,268 23.416,269 18.207,270 18.207,271 18.207,272 18.207,273 18.207,274 14.8,275 26.473,276 6.348,277 18.95,278 4.56,279 2.406,280 1.187,281 0.7,282 0.658,283 0.658,284 4.242,289 1,290 1113,291 3.391,294 185.124,295 329.599,298 151.506,302 2.461,303 15.371,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 69,315 502,316 4.568,317 3.793,318 6.566,319 4.109,320 3.12,321 4.515,322 1.058,323 10.433,324 3.087,325 4.2,326 3.201,327 6.106,328 3.828,329 2.869,330 3.769,331 0.86,332 8.925,333 2.767,334 4.109,335 2.995,336 6.053,337 3.741,338 2.756,339 3.554,340 0.8,341 8.703,342 2.702,343 3.74,344 2.835,345 5.369,346 3.468,347 2.537,348 3.075,349 0.657,350 7.031,351 2.362,352 3.562,353 2.827,354 5.353,355 3.389,356 2.447,357 2.756,359 6.979,360 2.3,361 3.428,362 2.56,363 5.234,364 3.185,365 2.242,366 2.527,368 6.553,369 2.105,370 3.322,371 2.147,372 5.104,373 2.959,374 1.975,375 2.495,377 5.939,378 1.939,379 3.002,380 2.044,381 4.432,382 2.518,383 1.543,384 2.126,386 4.357,387 1.501,388 2.751,389 1.649,390 4.124,391 2.329,392 1.345,393 1.8,395 3.468,396 1.322,397 2.671,398 1.401,399 4.024,400 2.198,401 1.278,402 1.666,404 3.245,405 1.171,406 2.5,407 1.396,408 3.52,409 2.127,410 1.161,411 1.5,413 2.74,414 1.106,415 2.345,416 1.235,417 3.414,418 2,419 1,420 1.329,422 2.275,423 1,424 2.137,425 1.078,426 3.414,427 1.984,428 1,429 1.048,431 2.275,432 0.983,433 2.058,434 1,435 3.262,436 1.73,437 0.77,438 0.998,440 1.806,441 0.737,442 1.646,443 0.859,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 16.267,452 0.493,453 0.653,454 0.02,455 38.5,456 1.167,457 17.5,458 0.53,459 21,460 0.636,461 31.701,462 0.961,463 35.333,464 0.544,465 27.979,466 0.848,467 7.463,468 0.226,469 8.728,470 0.264,471 0.082,473 0.295,479 0.92,480 1.206,481 0.753,482 0.963,483 0.747,484 0.965,485 1.406,486 1.07,487 0.858,488 0.861,489 0.842,490 0.912,491 1.072,492 1.063,493 0.976,494 0.994,495 0.814,496 1.036,497 0.84,498 1.073,499 1.041,500 1.066,501 1.035,502 1.084,503 0.606,504 0.981,505 1.105,506 1.072,507 0.998,508 0.963,509 0.64,510 1.08,511 0.959,512 1.056,513 0.761,514 0.996,515 0.869,516 1.172,517 0.967,518 1.058,519 0.95,520 1.166,521 0.852,522 0.995,523 1.047,524 1.031,525 0.986,526 1.033,527 6,528 0.123,529 3.778,530 1.451,531 1.423,532 1.125,533 0.542,534 0.327,535 0.37,536 0.148,537 18593,538 39934,539 2.168,540 49.2,542 21,543 1,545 2,547 8,550 1.747,551 2.084,552 3.86,553 0.132,559 95.072,560 1.463,561 3.616,562 4.835,563 5.322,564 5.365,565 5.365,566 3.404,567 4.56,568 5.011,569 4.048,570 2137.41,571 8.749,572 33744.7,577 391.454,578 1.182,579 4.999,580 0.162,581 0.004,582 0.074,583 0.03,584 0.033,585 0.027,586 0.013,587 0.008,588 0.012,589 0.005,590 0.368,591 0.17,592 0.75,593 0.551,594 179.236,595 0.084,596 -0.053,597 0.054,598 -0.018,599 0.067,600 0.017,601 -0.143,602 0.031,603 0.008,604 0.052,605 0.048,606 0.039,607 -0.1,608 -0.028,609 -0.05,610 -0.036,611 0.077,612 -0.061,613 -0.056,614 -0.081,615 -0.045,616 -0.054,617 -0.074,618 -0.083,619 0.063,620 -0.001,621 0.022,622 0.009,623 -0.021,624 0.054,625 0.132,626 -0.075,627 0.029,628 -0.05,629 0.115,630 0.003,631 -0.022,632 -0.15,633 -0.124,634 -0.146,635 -0.129,636 -0.196,637 -0.008,638 -0.019,639 -0.049,640 -0.054,641 -0.051,642 -0.053,643 0.925,644 1.938,645 0.788,646 43.297,647 0.987,648 1.122,649 3.732,650 13.932,651 0.674,652 3.638,653 3.951,654 4.234,655 4.466,656 4.654,657 4.771,658 4.92,659 5.056,660 5.17,661 5.283,662 8.643,663 0.621,664 460.7,665 3.638,666 5.176,667 6.028,668 6.895,669 7.759,670 8.63,671 9.5,672 10.375,673 11.249,674 12.126,675 6.2,678 2,682 1,683 1,687 2,688 8,690 1,693 4,695 16,712 1,714 65,716 18,717 2,718 37,720 69,721 27,722 14,723 5,724 7,725 3,730 5,731 6,740 3,743 4,745 17,746 10,750 2,756 1,757 1,759 2,764 32,765 4,766 2,767 6,768 1,773 4,776 1,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 1,827 33,833 9,834 1,835 1,838 2,847 1.5,852 1,854 15.833,855 11.733,856 7.278,857 4.092,858 3.355,859 1.402,860 1.015,861 7.117,862 11.704,863 3.871,864 4.44,865 5.023,866 5.572,867 6.069,868 6.404,869 6.793,870 7.114,871 7.271,872 7.55,873 1,874 49,875 12.211,877 5.127,878 7.409,879 24.352,881 20.51,883 1.909,884 63,888 353.133,889 185.015,890 40.8,892 11,894 45.192,895 139.823,896 364.133,897 40.8,898 10.883,899 38.555,900 84.857,901 0.713,902 54.47,903 13.915,904 341.362,905 45.192,906 353.133,907 180.623,908 11,909 45.192,911 258.964,912 105.169,915 61.467,916 109.68,917 9.476,918 45.192,919 353.133,920 51.8,921 185.015,924 353.133,925 44.083,926 101.867,927 34.674,928 56.192,929 353.133,930 51.8,931 185.015,933 0.578,934 0.342,935 0.178,936 0.089,937 25,938 10,939 0.101,940 7,941 1,942 1.077,943 4.641,944 299.746,945 0.077,946 26,947 158.465,949 1,951 22.603,952 10.391,953 5.327,954 2.605,955 35.014,956 16.92,958 3.467,961 4.607,963 34.674,964 589.948,965 47,971 5.604,972 2.324,974 2.155,975 64.181,976 72.935,977 0.243,978 0.6,979 0.803,980 0.884,981 0.891,982 0.891,983 5.112,984 1.543,985 5.994,986 5.939,987 4.635,988 5.127,989 1.878,990 6.774,991 4.563,992 6.292,993 1.345,994 7.532,995 4.357,996 4.111,997 4.879,998 0.325,999 7.6,1000 3.993,1001 7.587,1002 1.278,1003 9.166,1004 3.468,1005 6.205,1006 7.297,1007 1.693,1008 10.667,1009 6.075,1010 8.919,1011 1.161,1012 10.858,1013 3.245,1014 6.538,1015 7.948,1016 0.268,1017 12.335,1018 6.372,1019 10.285,1020 1,1021 12.587,1022 2.74,1023 8.04,1024 9.812,1025 1.62,1026 14.894,1027 7.866,1028 11.676,1029 1,1030 14.342,1031 2.275,1032 8.764,1033 10.887,1034 0.188,1035 16.916,1036 8.565,1037 13.085,1038 0.77,1039 16.115,1040 2.275,1041 10.026,1042 12.53,1043 1.606,1044 19.306,1045 9.819,1046 3.12,1047 0.618,1048 17.903,1049 1.806,1050 10.94,1051 13.817,1052 0.125,1053 21.488,1054 10.718,1055 2.869,1056 10.433,1057 19.702,1058 1.372,1059 12.101,1060 15.368,1061 1.63,1062 23.824,1063 11.871,1064 2.756,1065 8.925,1066 21.51,1067 4.515,1068 13.109,1069 16.762,1070 0.082,1071 26.08,1072 12.869,1073 2.537,1074 8.703,1075 23.326,1076 3.769,1077 14.231,1078 18.276,1079 1.678,1080 28.402,1081 13.984,1082 2.447,1083 7.031,1084 25.148,1085 3.554,1086 15.288,1087 19.723,1088 0.054,1089 30.695,1090 15.034,1091 2.242,1092 6.979,1093 26.976,1094 3.075,1095 16.397,1096 21.225,1097 1.743,1098 33.016,1099 16.136,1100 1.975,1101 6.553,1102 28.809,1103 2.756,1104 17.48,1105 22.699,1106 0.035,1107 35.328,1108 17.213,1109 17159,1110 25330,1111 25.542,1112 43.785,1113 55.177,1114 56.84,1115 55.816,1116 55.05,1117 54.998,1118 69.451,1119 6.751,1120 155.399,1121 52.876,1122 5.519,1123 5.793,1124 6.196,1125 5.149,1126 5.12,1127 7.515,1128 2.117,1129 17.105,1130 5.087,1131 11.371,1132 1.491,1133 1.536,1134 1.509,1135 1.488,1136 1.486,1137 1.877,1138 0.182,1139 4.2,1140 1.429,1141 4.149,1142 4.183,1143 4.109,1144 4.074,1145 4.979,1146 4.077,1147 3.934,1148 3.962,1149 4.015,1150 3.877,1151 4.933,1152 3.863,1153 3.849,1154 3.918,1155 3.741,1156 3.709,1157 4.728,1158 3.709,1159 3.809,1160 3.861,1161 3.701,1162 3.665,1163 4.479,1164 3.664,1165 3.468,1166 3.525,1167 3.624,1168 3.351,1169 4.338,1170 3.336,1171 3.35,1172 3.4,1173 3.318,1174 3.268,1175 4.267,1176 3.21,1177 3.242,1178 3.318,1179 3.095,1180 3.045,1181 4.159,1182 3.042,1183 3.119,1184 3.197,1185 3.009,1186 2.899,1187 3.854,1188 2.881,1189 0.123,1190 0.103,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.793,1197 0.029,1198 6.566,1199 0.282,1200 4.109,1201 0.083,1202 3.12,1203 4.515,1204 1.058,1205 10.433,1206 3.087,1207 1.994,1208 1.971,1209 2.089,1210 2.077,1211 1.331,1212 2.083,1213 1.899,1214 1.881,1215 1.989,1216 1.986,1217 1.23,1218 1.992,1219 1.745,1220 1.696,1221 1.92,1222 1.904,1223 1.211,1224 1.912,1225 1.665,1226 1.602,1227 1.86,1228 1.87,1229 1.086,1230 1.869,1231 1.577,1232 1.507,1233 1.852,1234 1.751,1235 1.062,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.659,1241 0.872,1242 1.658,1243 1.283,1244 1.254,1245 1.572,1246 1.534,1247 0.693,1248 1.548,1249 1.153,1250 1.075,1251 1.435,1252 1.404,1253 0.58,1254 1.417,1255 4.317,1257 5.631,1258 3.045,1259 7.132,1260 5.283,1261 8.713,1262 7.273,1263 10.337,1265 1.673,1271 10.244,1272 3.392,1273 5.232,1276 4.774,1280 40.363,1281 95.072,1282 235.034,1283 314.293,1284 345.944,1285 348.699,1286 348.699,1287 42.645,1288 8.349,1289 43.53,1290 75.62,1291 28,1292 12.665,1293 4.248,1294 3.459,1295 48.178,1296 171,1297 185,1298 0.134,1299 248.754,1300 428.7,1301 598.721,1302 58891,1304 22.623,1305 0.686,1306 0.609,1307 23.123,1308 20.088,1309 16.191,1310 0.438,1311 0.333,1312 11.812,1313 15.449,1314 11.495,1315 9.491,1316 16.48,1317 12.32,1318 14.245,1319 0.279,1320 0.184,1321 14.616,1322 9.376,1323 12.56,1324 0.185,1325 0.106,1326 12.913,1327 7.182,1328 10.195,1329 0.119,1330 0.06,1331 10.528,1332 5.118,1333 7.759,1334 0.075,1335 0.031,1336 7.973,1337 3.272,1338 0.219,1339 103.235,1340 0.198,1341 31.471,1342 0.348,1343 176,1344 406.552,1345 200.184,1346 422.907,1347 589.13,1348 400,1349 207,1350 428.453,1351 229.228,1352 447.038,1353 652.11,1354 421,1355 8.208} {0 CHEMBL15928,1 1.516,2 16.108,3 4.373,4 19.126,5 143.785,6 7.318,7 0.561,8 4.317,9 4.435,10 3.878,11 3.842,12 5.412,13 3.825,14 4.852,15 5.037,16 4.232,17 4.227,18 5.883,19 4.196,20 5.051,21 5.237,22 4.29,23 4.404,24 6.068,25 4.339,26 5.199,27 5.42,28 4.259,29 4.451,30 6.181,31 4.352,32 5.218,33 5.454,34 4.205,35 4.414,36 6.168,37 4.311,38 5.136,39 5.369,40 4.104,41 4.343,42 6.063,43 4.229,44 5.092,45 5.347,46 4.043,47 4.242,48 6.031,49 4.127,50 4.987,51 5.227,52 4.014,53 4.115,54 6.044,55 4.042,56 0.063,57 0.999,58 14.19,59 6.101,60 11.686,61 8.096,62 0.345,63 1.608,64 27.163,65 9.72,66 29.562,67 13.411,68 0.346,69 1.922,70 33.086,71 12.509,72 36.978,73 17.051,74 0.304,75 2.109,76 39.946,77 15.142,78 52.374,79 21.068,80 0.487,81 2.063,82 42.328,83 15.134,84 60.087,85 21.063,86 0.446,87 1.925,88 38.52,89 14.078,90 48.199,91 19.741,92 0.414,93 1.806,94 37.758,95 13.517,96 51.586,97 19.348,98 0.383,99 1.609,100 34.219,101 11.167,102 60.364,103 15.58,104 27,105 58,106 0.237,107 0.554,108 0.717,109 0.817,110 0.843,111 0.843,112 3.642,113 0.904,114 -5.43,115 -5.31,116 -4.96,119 42.6,120 2,124 2,125 4,140 10,141 5,142 3,147 1,156 1,159 1,164 1,169 15,171 2,172 7,174 1,176 3,178 19,181 2,182 11,186 3,189 18,193 11,195 1,197 2,199 16,203 9,206 1,208 1,211 17,214 2,215 7,220 1,222 13,225 1,226 11,229 1,231 2,233 7,237 13,242 3,244 4,248 1,249 9,254 1,256 7,259 2687,260 25.057,261 25.057,262 25.057,263 25.057,264 25.057,265 22.246,266 27.022,267 14.497,268 25.586,269 20.146,270 20.146,271 20.146,272 20.146,273 20.146,274 15.801,275 37.052,276 6.798,277 20.881,278 4.571,279 2.542,280 1.496,281 0.861,282 0.691,283 0.691,284 4.345,289 1,290 1306,291 3.317,294 126.23,295 546.726,302 2.495,303 26.865,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 79.5,315 596,316 4.441,317 3.574,318 6.521,319 4.064,320 3.073,321 4.146,322 1.058,323 10.27,324 3.054,325 4.356,326 3.299,327 6.482,328 4.007,329 3.054,330 3.967,331 0.86,332 10.074,333 2.909,334 4.224,335 3.108,336 6.151,337 3.838,338 2.857,339 3.846,340 0.8,341 9.1,342 2.803,343 4.079,344 2.858,345 6.04,346 3.724,347 2.74,348 3.59,349 0.8,350 8.651,351 2.683,352 3.686,353 2.779,354 5.354,355 3.404,356 2.466,357 3.086,359 6.891,360 2.314,361 3.589,362 2.436,363 5.219,364 3.253,365 2.281,366 2.887,368 6.438,369 2.217,370 3.444,371 2.403,372 5.146,373 3.147,374 2.184,375 2.584,377 6.27,378 2.088,379 3.293,380 2.379,381 4.943,382 2.912,383 1.97,384 2.52,386 5.604,387 1.899,388 3.101,389 2.185,390 4.923,391 2.865,392 1.904,393 2.181,395 5.483,396 1.779,397 2.844,398 1.826,399 4.179,400 2.394,401 1.387,402 1.946,404 3.634,405 1.392,406 2.739,407 1.405,408 4.077,409 2.263,410 1.285,411 1.814,413 3.393,414 1.252,415 2.536,416 1.335,417 3.982,418 2.109,419 1.137,420 1.525,422 3.077,423 1.103,424 2.5,425 1.155,426 3.881,427 2.04,428 1.05,429 1.5,431 2.896,432 1.035,433 2.468,434 1.146,435 3.414,436 2,437 1,438 1.459,440 2.275,441 1,442 2.176,443 1.095,444 3.414,445 1.967,446 1,447 1.017,449 2.275,450 0.965,451 17.5,452 0.473,453 0.938,454 0.025,455 49.5,456 1.338,457 25,458 0.676,459 24.5,460 0.662,461 32.373,462 0.875,463 39.5,464 0.581,465 40.875,466 1.105,467 10.038,468 0.271,469 7.869,470 0.213,471 0.133,473 0.36,479 0.745,480 1.363,481 0.784,482 1.13,483 0.621,484 0.988,485 0.982,486 0.971,487 0.818,488 0.817,489 0.592,490 0.787,491 1.016,492 1.055,493 1.05,494 1.039,495 0.875,496 1.042,497 0.881,498 1.1,499 1.016,500 1.128,501 0.997,502 1.097,503 1.093,504 0.942,505 1.012,506 0.961,507 1.204,508 0.975,509 0.937,510 1.019,511 1.062,512 1.065,513 0.951,514 1.081,515 0.756,516 0.995,517 0.883,518 1.001,519 0.821,520 0.967,521 1.372,522 0.97,523 0.961,524 0.904,525 1.82,526 0.875,527 8,528 0.207,529 4.889,530 2.472,531 2.161,532 1.372,533 1.069,534 0.694,535 0.362,536 0.269,537 24400,538 60209,539 2.1,540 45.6,541 3,542 24,545 1,546 3,550 1.776,551 1.965,552 3.923,553 -0.392,559 103.121,560 1.516,561 3.545,562 4.591,563 5.227,564 5.396,565 5.396,566 3.399,567 4.885,568 5.18,569 4.126,570 2748.15,571 9.085,572 46997.1,577 413.947,578 1.414,579 5.14,580 0.195,581 0.006,582 0.084,583 0.041,584 0.039,585 0.026,586 0.023,587 0.016,588 0.008,589 0.007,590 0.445,591 0.17,592 0.75,593 0.672,594 207.694,595 0.074,596 -0.183,597 0.076,598 -0.077,599 -0.003,600 -0.015,601 0.026,602 0.147,603 0.125,604 0.167,605 0.118,606 0.163,607 -0.085,608 0.033,609 -0.12,610 -0.034,611 -0.011,612 -0.073,613 -0.037,614 -0.095,615 -0.065,616 -0.119,617 0.005,618 -0.098,619 -0.079,620 0.026,621 -0.023,622 0.033,623 -0.087,624 0.017,625 -0.019,626 -0.039,627 -0.089,628 -0.066,629 -0.074,630 -0.086,631 0.112,632 -0.049,633 0.106,634 -0.009,635 0.141,636 0.04,637 -0.124,638 -0.004,639 0.066,640 0.055,641 -0.025,642 0.087,643 1.819,644 6.032,645 0.784,646 48.543,647 1,648 1.125,649 4.195,650 17.6,651 0.666,652 3.738,653 4.078,654 4.357,655 4.605,656 4.828,657 4.905,658 5.056,659 5.153,660 5.204,661 5.308,662 9.178,663 0.634,664 497.65,665 3.738,666 5.293,667 6.151,668 7.031,669 7.901,670 8.783,671 9.658,672 10.541,673 11.418,674 12.301,675 7.4,678 1,681 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,709 1,712 1,714 68,716 24,717 3,718 41,720 72,721 29,722 20,723 8,724 10,725 1,730 5,731 5,736 2,745 21,746 8,750 1,755 1,759 1,764 31,765 8,766 1,767 8,773 5,777 1,778 3,792 1,793 4,815 1,819 5,823 4,827 37,833 4,834 1,835 1,838 2,847 4.4,850 1,852 2,854 18.833,855 13.633,856 8.083,857 4.007,858 4.127,859 1.489,860 0.991,861 7.379,862 12.57,863 3.998,864 4.603,865 5.185,866 5.75,867 6.251,868 6.545,869 6.987,870 7.344,871 7.695,872 8.097,873 0.909,874 60,875 13.656,877 5.743,878 7.631,879 26.334,881 21.487,883 2.131,884 78.833,888 353.133,889 178.852,890 60.642,892 45.879,895 178.852,896 399.012,897 60.642,898 36.93,899 26.434,900 94.762,901 71.252,902 55.995,904 353.133,906 353.133,907 239.494,908 45.879,911 355.461,912 45.879,915 52.228,916 148.556,917 36.382,919 353.133,920 106.52,921 178.852,924 353.133,925 47.16,926 137.941,927 18.011,928 82.261,929 353.133,930 106.52,931 178.852,933 0.587,934 0.347,935 0.184,936 0.101,937 28,938 13,939 0.083,940 6,942 1,943 4.799,944 354.854,946 29,947 182.75,951 25.156,952 10.853,953 5.594,955 106.52,956 19.497,957 8.298,959 5.095,961 8.376,963 18.011,964 638.506,965 53.5,970 13.032,974 -0.152,975 67.978,976 76.517,977 0.249,978 0.582,979 0.754,980 0.859,981 0.886,982 0.886,983 5.246,984 1.97,985 6.142,986 6.27,987 4.762,988 5.291,989 1.893,990 6.952,991 4.699,992 6.453,993 1.904,994 7.704,995 5.604,996 4.369,997 5.075,998 0.57,999 7.84,1000 4.278,1001 7.759,1002 1.387,1003 9.361,1004 5.483,1005 6.365,1006 7.464,1007 1.709,1008 10.915,1009 6.246,1010 9.099,1011 1.285,1012 11.072,1013 3.634,1014 6.77,1015 8.053,1016 0.479,1017 12.611,1018 6.625,1019 10.468,1020 1.137,1021 12.819,1022 3.393,1023 8.232,1024 9.911,1025 1.641,1026 15.196,1027 8.066,1028 11.858,1029 1.05,1030 14.59,1031 3.077,1032 8.999,1033 10.878,1034 0.346,1035 17.231,1036 8.81,1037 13.263,1038 1,1039 16.379,1040 2.896,1041 10.246,1042 12.503,1043 1.626,1044 19.64,1045 10.038,1046 3.073,1047 1,1048 18.181,1049 2.275,1050 11.186,1051 13.665,1052 0.237,1053 21.824,1054 10.957,1055 3.054,1056 10.27,1057 19.994,1058 2.275,1059 12.343,1060 15.176,1061 1.645,1062 24.167,1063 12.095,1064 2.857,1065 10.074,1066 21.815,1067 4.146,1068 13.367,1069 16.442,1070 0.158,1071 26.417,1072 13.098,1073 2.74,1074 9.1,1075 23.642,1076 3.967,1077 14.488,1078 17.896,1079 1.689,1080 28.736,1081 14.201,1082 2.466,1083 8.651,1084 25.475,1085 3.846,1086 15.552,1087 19.218,1088 0.104,1089 31.017,1090 15.245,1091 2.281,1092 6.891,1093 27.313,1094 3.59,1095 16.66,1096 20.644,1097 1.749,1098 33.328,1099 16.335,1100 2.184,1101 6.438,1102 29.154,1103 3.086,1104 17.745,1105 21.998,1106 0.068,1107 35.625,1108 17.4,1109 22716,1110 35918,1111 27.452,1112 45.29,1113 62.18,1114 62.785,1115 63.841,1116 61.389,1117 61.398,1118 79.55,1119 7.037,1120 178.222,1121 59.401,1122 5.441,1123 5.574,1124 6.062,1125 5.132,1126 5.073,1127 7.146,1128 2.117,1129 17.089,1130 5.054,1131 19.075,1132 1.517,1133 1.531,1134 1.557,1135 1.497,1136 1.498,1137 1.94,1138 0.172,1139 4.347,1140 1.449,1141 4.064,1142 4.09,1143 4.021,1144 4.001,1145 7.429,1146 4,1147 3.964,1148 4,1149 3.915,1150 3.859,1151 5.295,1152 3.867,1153 3.865,1154 3.895,1155 3.824,1156 3.753,1157 4.869,1158 3.759,1159 3.743,1160 3.804,1161 3.651,1162 3.556,1163 4.783,1164 3.564,1165 3.683,1166 3.714,1167 3.609,1168 3.467,1169 4.547,1170 3.51,1171 3.348,1172 3.393,1173 3.277,1174 3.118,1175 4.415,1176 3.15,1177 3.209,1178 3.303,1179 3.032,1180 3.029,1181 4.346,1182 3.01,1183 3.178,1184 3.26,1185 3.01,1186 2.946,1187 3.907,1188 2.949,1189 0.108,1190 0.087,1191 0.159,1192 0.099,1193 0.075,1194 4.441,1195 0.101,1196 3.574,1197 0.026,1198 6.521,1199 0.25,1200 4.064,1201 0.074,1202 3.073,1203 4.146,1204 1.058,1205 10.27,1206 3.054,1207 2.013,1208 1.994,1209 2.099,1210 2.085,1211 1.305,1212 2.087,1213 1.917,1214 1.887,1215 2.033,1216 2.056,1217 1.244,1218 2.056,1219 1.799,1220 1.773,1221 1.924,1222 1.927,1223 1.059,1224 1.927,1225 1.703,1226 1.635,1227 1.883,1228 1.863,1229 1.003,1230 1.871,1231 1.439,1232 1.384,1233 1.696,1234 1.699,1235 0.825,1236 1.688,1237 1.276,1238 1.237,1239 1.573,1240 1.554,1241 0.736,1242 1.55,1243 1.234,1244 1.168,1245 1.552,1246 1.485,1247 0.641,1248 1.498,1249 1.174,1250 1.082,1251 1.54,1252 1.467,1253 0.621,1254 1.493,1255 4.419,1257 5.753,1258 2.398,1259 7.276,1260 4.595,1261 8.881,1262 6.555,1263 10.529,1265 7.63,1271 3.817,1272 3.042,1273 5.589,1276 4.611,1280 43.1,1281 103.121,1282 241.07,1283 312.199,1284 355.418,1285 366.928,1286 366.928,1287 58.553,1288 8.444,1289 83.73,1290 83.73,1291 29,1292 12.836,1293 4.644,1294 3.755,1295 57.168,1296 207,1297 201,1298 0.133,1299 262.813,1300 454.55,1301 633.023,1302 65581,1304 25.941,1305 0.701,1306 0.584,1307 25.941,1308 21.616,1309 17.906,1310 0.437,1311 0.301,1312 12.166,1313 17.15,1314 11.736,1315 9.787,1316 17.906,1317 12.357,1318 16.312,1319 0.281,1320 0.162,1321 16.312,1322 9.375,1323 13.957,1324 0.181,1325 0.088,1326 13.957,1327 6.751,1328 11.501,1329 0.116,1330 0.047,1331 11.501,1332 4.61,1333 9.237,1334 0.074,1335 0.026,1336 9.237,1337 3.224,1338 0.216,1339 112.581,1340 0.191,1341 34.381,1342 0.343,1343 198,1344 562.12,1345 216.793,1346 542.22,1347 753.22,1348 510,1349 234,1350 570.853,1351 253.823,1352 578.276,1353 840.28,1354 541,1355 7.597} {0 CHEMBL15933,1 1.481,2 16.081,3 4.419,4 19.524,5 142.01,6 7.383,7 0.548,8 4.311,9 4.422,10 3.887,11 3.879,12 5.383,13 3.857,14 4.867,15 5.035,16 4.284,17 4.309,18 5.882,19 4.271,20 5.115,21 5.294,22 4.334,23 4.495,24 6.096,25 4.417,26 5.294,27 5.523,28 4.267,29 4.515,30 6.227,31 4.401,32 5.224,33 5.472,34 4.167,35 4.402,36 6.145,37 4.285,38 5.04,39 5.27,40 4.042,41 4.285,42 5.966,43 4.174,44 5.009,45 5.253,46 4.003,47 4.182,48 5.98,49 4.078,50 4.835,51 5.041,52 3.971,53 4.067,54 5.947,55 4.003,56 0.07,57 0.958,58 13.729,59 6.266,60 10.858,61 8.11,62 0.289,63 1.61,64 26.539,65 10.7,66 29.01,67 14.231,68 0.229,69 2.002,70 34.472,71 14.245,72 37.333,73 18.91,74 0.375,75 2.267,76 44.692,77 17.11,78 60.094,79 23.405,80 0.513,81 2.074,82 43.145,83 15.933,84 61.969,85 22.097,86 0.273,87 1.795,88 34.273,89 13.028,90 41.84,91 18.038,92 0.431,93 1.663,94 34.709,95 12.816,96 49.976,97 17.661,98 0.27,99 1.434,100 27.918,101 10.117,102 54.801,103 13.407,104 17,105 62,106 0.231,107 0.567,108 0.736,109 0.818,110 0.844,111 0.844,112 3.642,113 0.907,114 -6.37,115 -6.2,116 -5.76,119 44.8,120 2,121 2,123 1,124 1,125 3,140 10,141 6,142 2,147 1,156 1,159 1,164 1,169 19,171 2,172 10,174 1,176 3,178 24,182 13,186 4,189 22,193 11,197 3,199 19,202 1,203 10,206 1,208 3,211 20,215 7,220 1,222 16,225 1,226 11,229 1,231 2,233 13,237 11,242 3,244 11,248 1,249 8,254 1,256 13,259 2618,260 25.057,261 25.057,262 25.057,263 25.057,264 25.057,265 22.259,266 27.372,267 14.253,268 25.409,269 20.674,270 20.674,271 20.674,272 20.674,273 20.674,274 16.375,275 36.005,276 6.736,277 21.217,278 4.585,279 2.435,280 1.358,281 0.832,282 0.661,283 0.661,284 4.357,289 1,290 1340,291 3.536,294 219.855,295 488.471,298 173.163,302 2.466,303 27.785,306 0.75,307 0.5,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.73,314 79,315 595,316 4.692,317 3.81,318 7.718,319 4.557,320 3.569,321 4.147,322 1.058,323 14.323,324 3.53,325 4.441,326 3.57,327 6.482,328 4.063,329 3.069,330 4.124,331 0.86,332 10.075,333 3.054,334 4.231,335 3.108,336 6.151,337 3.852,338 2.867,339 3.849,340 0.8,341 9.1,342 2.829,343 4.097,344 2.858,345 6.05,346 3.741,347 2.76,348 3.598,350 8.701,351 2.694,352 3.862,353 2.782,354 5.872,355 3.526,356 2.551,357 3.207,359 8.06,360 2.485,361 3.647,362 2.554,363 5.251,364 3.255,365 2.296,366 3.038,368 6.591,369 2.22,370 3.462,371 2.424,372 5.148,373 3.189,374 2.233,375 2.709,377 6.276,378 2.109,379 3.297,380 2.377,381 5.004,382 3.035,383 2.09,384 2.553,386 5.95,387 1.97,388 3.228,389 2.186,390 4.942,391 2.895,392 1.904,393 2.263,395 5.485,396 1.878,397 2.845,398 1.827,399 4.51,400 2.399,401 1.397,402 1.947,404 3.85,405 1.394,406 2.74,407 1.64,408 4.17,409 2.28,410 1.31,411 1.815,413 3.537,414 1.266,415 2.66,416 1.405,417 4.069,418 2.248,419 1.265,420 1.716,422 3.393,423 1.239,424 2.536,425 1.155,426 3.888,427 2.04,428 1.051,429 1.525,431 2.908,432 1.036,433 2.5,434 1.099,435 3.802,436 2,437 1,438 1.5,440 2.372,441 1,442 2.176,443 1.077,444 3.634,445 1.984,446 1,447 1.018,449 2.275,450 0.983,451 17.6,452 0.476,453 1.031,454 0.028,455 48.75,456 1.318,457 24.5,458 0.662,459 24.25,460 0.655,461 34.057,462 0.92,463 38.8,464 0.579,465 38.77,466 1.048,467 9.41,468 0.254,469 8.488,470 0.229,471 0.104,472 0.028,473 0.335,479 0.704,480 1.207,481 0.766,482 1.047,483 0.61,484 0.936,485 0.842,486 0.937,487 0.788,488 0.862,489 0.553,490 0.82,491 0.968,492 1.129,493 1.063,494 1.131,495 0.826,496 1.112,497 1.001,498 1.057,499 1.055,500 1.083,501 0.983,502 1.078,503 0.962,504 0.928,505 0.945,506 0.923,507 1.128,508 0.936,509 0.9,510 1.028,511 1.048,512 1.062,513 0.971,514 1.066,515 0.942,516 0.917,517 0.887,518 0.924,519 1.036,520 0.905,521 1.393,522 1.079,523 1.024,524 1.016,525 2.24,526 0.977,527 9,528 0.207,529 5.556,530 2.799,531 2.3,532 1.344,533 1.05,534 0.667,535 0.375,536 0.257,537 25504,538 60049,539 2.156,540 44.8,541 3,542 19,545 1,546 3,547 4,550 1.775,551 2.027,552 3.911,553 -0.419,559 99.26,560 1.481,561 3.631,562 4.708,563 5.234,564 5.405,565 5.405,566 3.399,567 4.939,568 5.181,569 4.116,570 2741.15,571 9.079,572 46483.3,577 406.428,578 1.494,579 5.142,580 0.214,581 0.006,582 0.09,583 0.044,584 0.041,585 0.026,586 0.023,587 0.016,588 0.009,589 0.007,590 0.477,591 0.17,592 0.63,593 0.488,594 207.339,595 0.082,596 -0.077,597 0.076,598 -0.019,599 0.002,600 0.018,601 0.079,602 0.15,603 0.126,604 0.134,605 0.133,606 0.137,607 -0.106,608 -0.09,609 -0.147,610 -0.122,611 -0.003,612 -0.136,613 -0.078,614 -0.087,615 -0.078,616 -0.087,617 -0.009,618 -0.083,619 0.012,620 0.019,621 0.059,622 0.067,623 -0.03,624 0.066,625 -0.073,626 -0.028,627 -0.083,628 -0.075,629 -0.096,630 -0.075,631 0.09,632 0.027,633 0.123,634 0.065,635 0.114,636 0.093,637 -0.132,638 -0.079,639 -0.025,640 -0.043,641 -0.125,642 -0.022,643 1.789,644 6.071,645 0.838,646 46.427,647 0.998,648 1.12,649 5.136,650 26.381,651 0.676,652 3.761,653 4.143,654 4.454,655 4.736,656 4.984,657 5.088,658 5.257,659 5.394,660 5.442,661 5.553,662 9.113,663 0.643,664 494.64,665 3.761,666 5.342,667 6.221,668 7.125,669 8.019,670 8.926,671 9.827,672 10.736,673 11.641,674 12.551,675 6,678 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,712 1,714 67,716 24,717 3,718 42,720 72,721 30,722 20,723 8,724 10,725 1,730 6,731 7,736 2,737 1,739 1,740 2,743 2,745 21,746 9,750 1,755 1,759 1,764 30,765 7,766 1,767 7,773 4,777 0.667,778 3,792 2,793 4,796 1,815 1,819 4,823 3,827 37,833 5,834 1,835 1,838 1,839 1,847 4.5,850 1,852 2,854 18.25,855 13.183,856 7.847,857 4.111,858 4.174,859 1.466,860 1.005,861 6.099,862 13.135,863 4.016,864 4.642,865 5.234,866 5.809,867 6.316,868 6.625,869 7.081,870 7.45,871 7.78,872 8.175,873 0.909,874 63,875 13.703,877 5.957,878 7.597,879 26.631,881 22.727,883 2.097,884 77.583,888 341.362,889 173.848,890 57.517,892 45.879,895 173.848,896 387.241,897 57.517,898 26.047,899 31.884,900 94.762,901 71.252,902 53.3,904 341.362,906 341.362,907 231.365,908 45.879,911 296.605,912 92.963,915 57.678,916 134.977,917 36.382,919 341.362,920 103.396,921 173.848,924 341.362,925 53.039,926 123.934,927 18.011,928 82.261,929 341.362,930 103.396,931 173.848,933 0.598,934 0.355,935 0.189,936 0.104,937 33,938 14,939 0.056,940 4,941 1,942 1.097,943 4.831,944 369.405,945 0.065,946 32,947 184.75,951 23.903,952 9.441,953 4.562,955 103.396,956 19.826,957 8.308,959 5.1,961 8.87,963 18.011,964 618.606,965 54.5,970 13.071,974 -0.123,975 66.876,976 75.019,977 0.244,978 0.599,979 0.776,980 0.863,981 0.891,982 0.891,983 5.292,984 2.09,985 6.244,986 6.276,987 4.828,988 5.33,989 1.737,990 7.122,991 4.782,992 6.519,993 1.904,994 7.85,995 5.95,996 4.575,997 5.182,998 0.325,999 8.347,1000 4.525,1001 7.849,1002 1.397,1003 9.565,1004 5.485,1005 6.524,1006 7.522,1007 1.622,1008 11.432,1009 6.447,1010 9.215,1011 1.31,1012 11.35,1013 3.85,1014 7.099,1015 8.166,1016 0.268,1017 13.573,1018 7.025,1019 10.614,1020 1.265,1021 13.185,1022 3.537,1023 8.551,1024 9.992,1025 1.587,1026 16.289,1027 8.458,1028 12.034,1029 1.051,1030 15.059,1031 3.393,1032 9.492,1033 11.002,1034 0.188,1035 18.772,1036 9.4,1037 13.473,1038 1,1039 16.964,1040 2.908,1041 10.778,1042 12.61,1043 1.592,1044 21.423,1045 10.673,1046 3.569,1047 1,1048 18.894,1049 2.372,1050 11.886,1051 13.804,1052 0.125,1053 24.024,1054 11.778,1055 3.069,1056 14.323,1057 20.845,1058 2.275,1059 13.125,1060 15.309,1061 1.624,1062 26.672,1063 13.007,1064 2.867,1065 10.075,1066 22.812,1067 4.147,1068 14.308,1069 16.6,1070 0.082,1071 29.312,1072 14.183,1073 2.76,1074 9.1,1075 24.794,1076 4.124,1077 15.542,1078 18.054,1079 1.676,1080 31.966,1081 15.408,1082 2.551,1083 8.701,1084 26.787,1085 3.849,1086 16.761,1087 19.398,1088 0.054,1089 34.618,1090 16.619,1091 2.296,1092 8.06,1093 28.789,1094 3.598,1095 18.002,1096 20.828,1097 1.742,1098 37.276,1099 17.849,1100 2.233,1101 6.591,1102 30.799,1103 3.207,1104 19.24,1105 22.2,1106 0.035,1107 39.934,1108 19.078,1109 23116,1110 35698,1111 28.433,1112 45.284,1113 64.786,1114 65.533,1115 66.827,1116 64.09,1117 64.146,1118 82.32,1119 5.437,1120 194.041,1121 62.56,1122 5.692,1123 5.81,1124 7.132,1125 5.618,1126 5.569,1127 7.147,1128 2.117,1129 22.186,1130 5.53,1131 16.994,1132 1.543,1133 1.56,1134 1.591,1135 1.526,1136 1.527,1137 1.96,1138 0.129,1139 4.62,1140 1.49,1141 4.087,1142 4.112,1143 4.037,1144 4.014,1145 7.429,1146 4.014,1147 4.016,1148 4.039,1149 3.968,1150 3.945,1151 5.295,1152 3.947,1153 3.871,1154 3.899,1155 3.832,1156 3.759,1157 4.884,1158 3.766,1159 3.742,1160 3.797,1161 3.661,1162 3.597,1163 4.784,1164 3.597,1165 3.681,1166 3.715,1167 3.606,1168 3.467,1169 4.546,1170 3.509,1171 3.399,1172 3.457,1173 3.31,1174 3.179,1175 4.365,1176 3.2,1177 3.224,1178 3.271,1179 3.123,1180 3.06,1181 4.272,1182 3.066,1183 3.174,1184 3.258,1185 2.979,1186 3.017,1187 3.905,1188 3.001,1189 0.112,1190 0.091,1191 0.184,1192 0.109,1193 0.085,1194 4.692,1195 0.099,1196 3.81,1197 0.025,1198 7.718,1199 0.341,1200 4.557,1201 0.084,1202 3.569,1203 4.147,1204 1.058,1205 14.323,1206 3.53,1207 2.013,1208 1.995,1209 2.1,1210 2.079,1211 1.463,1212 2.086,1213 1.944,1214 1.915,1215 2.077,1216 2.049,1217 1.245,1218 2.061,1219 1.808,1220 1.78,1221 1.93,1222 1.937,1223 1.057,1224 1.936,1225 1.742,1226 1.699,1227 1.884,1228 1.86,1229 1.002,1230 1.869,1231 1.439,1232 1.384,1233 1.696,1234 1.699,1235 0.825,1236 1.688,1237 1.321,1238 1.245,1239 1.618,1240 1.576,1241 0.808,1242 1.591,1243 1.268,1244 1.227,1245 1.552,1246 1.494,1247 0.736,1248 1.497,1249 1.192,1250 1.14,1251 1.513,1252 1.441,1253 0.621,1254 1.429,1255 4.443,1257 5.808,1258 3.045,1259 7.365,1260 5.416,1261 9.006,1262 7.526,1263 10.693,1265 6,1271 4.995,1272 3.089,1273 6.027,1276 2.364,1277 0.056,1280 43.078,1281 99.26,1282 243.279,1283 315.434,1284 350.654,1285 362.163,1286 362.163,1287 58.115,1288 8.961,1289 80.49,1290 80.49,1291 34,1292 13.067,1293 4.644,1294 3.755,1295 51.493,1296 206,1297 201,1298 0.12,1299 258.217,1300 448.49,1301 621.811,1302 123685,1304 25.57,1305 0.691,1306 0.578,1307 25.57,1308 21.375,1309 17.899,1310 0.426,1311 0.302,1312 12.537,1313 17.272,1314 12.128,1315 10.042,1316 17.899,1317 12.692,1318 16.91,1319 0.273,1320 0.166,1321 16.91,1322 10.281,1323 14.782,1324 0.174,1325 0.091,1326 14.782,1327 7.727,1328 12.375,1329 0.11,1330 0.048,1331 12.375,1332 5.45,1333 10.233,1334 0.071,1335 0.028,1336 10.233,1337 4.051,1338 0.196,1339 111.753,1340 0.188,1341 34.327,1342 0.31,1343 208,1344 552.475,1345 225.043,1346 535.763,1347 750.24,1348 504,1349 251,1350 574.945,1351 269.043,1352 582.616,1353 853.78,1354 547,1355 5.7} {0 CHEMBL159381,1 1.446,2 13.233,3 3.607,4 13.01,5 121.154,6 7.045,7 0.618,8 4.146,9 4.276,10 3.688,11 3.681,12 5.154,13 3.654,14 4.708,15 4.891,16 4.01,17 4.099,18 5.62,19 4.042,20 4.942,21 5.174,22 3.948,23 4.212,24 5.742,25 4.093,26 5.015,27 5.267,28 3.886,29 4.182,30 5.783,31 4.044,32 5.011,33 5.294,34 3.813,35 4.1,36 5.736,37 3.962,38 4.856,39 5.109,40 3.851,41 4.086,42 5.612,43 3.971,44 4.903,45 5.15,46 3.889,47 4.132,48 5.704,49 4.008,50 4.954,51 5.228,52 3.704,53 4.083,54 5.701,55 3.923,56 0.066,57 0.876,58 12.632,59 5.128,60 10.504,61 7.114,62 0.264,63 1.428,64 23.922,65 8.599,66 21.204,67 12.101,68 0.284,69 1.654,70 31.244,71 11.66,72 25.258,73 16.805,74 0.256,75 1.674,76 34.517,77 12.825,78 29.925,79 18.38,80 0.43,81 1.624,82 35.793,83 12.112,84 35.205,85 17.659,86 0.238,87 1.505,88 29.196,89 10.466,90 22.767,91 15.373,92 0.277,93 1.617,94 30.267,95 10.988,96 25.939,97 16.147,98 0.343,99 1.585,100 32.938,101 11.38,102 32.199,103 16.944,105 46,106 0.235,107 0.575,108 0.78,109 0.859,110 0.867,111 0.867,112 3.44,113 0.942,114 -4.93,115 -4.84,116 -4.54,119 42.1,121 3,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 3,178 10,181 1,182 6,186 3,189 7,193 9,199 4,203 9,206 2,211 4,215 6,222 5,225 1,226 6,229 2,231 2,233 7,237 2,240 1,244 8,248 2,249 3,256 8,259 1554,260 21.137,261 21.137,262 21.137,263 21.137,264 21.137,265 18.698,266 22.507,267 12.78,268 21.59,269 16.84,270 16.84,271 16.84,272 16.84,273 16.84,274 13.258,275 24.021,276 6.091,277 17.573,278 4.387,279 2.292,280 1.031,281 0.54,282 0.491,283 0.491,284 4.155,288 1,289 1,290 892,291 3,294 232.513,295 182.724,298 122.843,302 2.116,303 13.764,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 397,316 4.569,317 3.217,318 6.566,319 4.101,320 3.12,321 4.518,322 1.151,323 10.434,324 3.063,325 4.129,326 3.127,327 6.15,328 3.807,329 2.868,330 3.732,331 0.8,332 9.073,333 2.693,334 3.906,335 2.88,336 6.094,337 3.684,338 2.747,339 3.444,341 8.879,342 2.572,343 3.856,344 2.819,345 5.34,346 3.505,347 2.517,348 2.888,350 6.964,351 2.488,352 3.422,353 2.203,354 5.131,355 3.015,356 2.035,357 2.785,359 6.012,360 1.991,361 3.247,362 2.069,363 4.516,364 2.733,365 1.779,366 2.587,368 4.655,369 1.692,370 2.948,371 1.794,372 4.397,373 2.597,374 1.665,375 2.112,377 4.312,378 1.551,379 2.752,380 1.607,381 4.113,382 2.455,383 1.474,384 1.853,386 3.417,387 1.442,388 2.613,389 1.402,390 3.673,391 2.269,392 1.294,393 1.623,395 3.193,396 1.257,397 2.5,398 1.276,399 3.501,400 2.172,401 1.203,402 1.5,404 2.679,405 1.163,406 2.406,407 1.142,408 3.349,409 2,410 1,411 1.372,413 2.169,414 1,415 2.281,416 1,417 3.247,418 1.9,419 0.939,420 1.255,422 2.136,423 0.9,424 2.118,425 0.992,426 3.23,427 1.782,428 0.879,429 0.947,431 1.975,432 0.785,433 2.089,434 0.759,435 3.223,436 1.662,437 0.704,438 0.927,440 1.698,441 0.673,442 1.951,443 0.618,444 3.013,445 1.518,446 0.618,447 0.926,449 1.372,450 0.556,451 14.333,452 0.478,453 0.479,454 0.016,455 38,456 1.267,457 18,458 0.6,459 20,460 0.667,461 25.399,462 0.847,463 31.867,464 0.559,465 25.567,466 0.852,467 7.469,468 0.249,469 7.396,470 0.247,473 0.265,479 0.861,480 1.345,481 0.819,482 1.121,483 0.694,484 0.99,485 1.368,486 1.052,487 1.042,488 0.973,489 1.046,490 0.974,491 0.946,492 1.034,493 1.073,494 1.103,495 0.775,496 1.101,497 1.072,498 1.115,499 1.02,500 1.15,501 0.93,502 1.102,503 1.274,504 0.814,505 0.928,506 0.822,507 1.095,508 0.847,509 0.957,510 1.027,511 0.924,512 0.953,513 0.829,514 0.939,515 0.739,516 1.088,517 1.018,518 1.118,519 0.8,520 1.099,521 0.956,522 0.961,523 1.093,524 1.042,525 1.096,526 1.071,527 4,528 0.098,529 3.111,530 1.139,531 0.784,532 0.67,533 0.487,534 0.211,535 0.15,536 0.14,537 14393,538 32389,539 2.228,540 47.4,542 17,543 1,544 2,545 1,547 6,550 1.725,551 2.195,552 3.668,553 -0.382,555 1,559 82.444,560 1.446,561 3.541,562 4.802,563 5.293,564 5.342,565 5.342,566 3.14,567 4.44,568 4.877,569 3.871,570 1683.97,571 8.488,572 24547.5,574 1,577 332.475,578 0.837,579 4.881,580 0.118,581 0.004,582 0.068,583 0.028,584 0.021,585 0.019,586 0.013,587 0.006,588 0.005,589 0.005,590 0.286,591 0.33,592 0.88,594 157.241,595 0.084,596 -0.151,597 0.089,598 -0.07,599 0.179,600 -0.004,601 -0.119,602 0.068,603 -0.078,604 0.024,605 -0.066,606 -0.018,607 -0.025,608 -0.028,609 -0.113,610 -0.095,611 0.037,612 -0.108,613 -0.024,614 -0.19,615 -0.037,616 -0.142,617 0.032,618 -0.1,619 -0.037,620 0.089,621 0.096,622 0.143,623 -0.019,624 0.131,625 -0.052,626 -0.049,627 0.05,628 0.041,629 0.011,630 0.053,631 0.076,632 -0.076,633 -0.055,634 -0.132,635 0.02,636 -0.114,637 -0.033,638 -0.008,639 -0.105,640 -0.072,641 -0.137,642 -0.089,643 0.813,644 2.536,645 0.833,646 33.427,647 0.992,648 1.128,649 3.703,650 13.715,651 0.664,652 3.555,653 3.85,654 4.143,655 4.394,656 4.5,657 4.605,658 4.771,659 4.927,660 4.997,661 5.056,662 7.781,663 0.625,664 401.56,665 3.555,666 5.081,667 5.932,668 6.795,669 7.658,670 8.527,671 9.396,672 10.269,673 11.143,674 12.02,675 8.8,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 57,716 21,717 2,718 34,720 61,721 24,722 16,723 4,724 8,730 5,731 6,740 3,743 4,745 16,746 8,761 1,764 27,765 4,766 1,767 6,773 5,777 0.8,778 1,788 1,789 1,792 3,793 2,796 1,815 1,818 1,819 4,827 30,833 7,835 1,837 1,838 1,844 1,847 1.8,851 1,854 13.667,855 9.967,856 6.611,857 3.533,858 3.584,859 1.443,860 1.017,861 5.822,862 11.669,863 3.818,864 4.394,865 4.996,866 5.577,867 5.994,868 6.33,869 6.788,870 7.224,871 7.433,872 7.674,873 0.889,874 41,875 11.08,877 4.673,878 7.439,879 21.969,881 18.488,883 1.939,884 58.167,887 1,888 306.049,889 136.939,890 55.135,892 11,895 136.939,896 317.049,897 55.135,899 21,900 84.857,901 85.105,902 33.51,903 13.915,904 270.735,906 306.049,907 192.074,908 11,911 235.422,912 70.627,913 11,915 60.046,916 98.702,917 33.326,919 306.049,920 66.135,921 136.939,924 306.049,925 34.845,926 107.118,927 16.786,928 44.326,929 306.049,930 66.135,931 136.939,933 0.571,934 0.337,935 0.184,936 0.086,937 23,938 8,939 0.131,940 8,941 1,942 1.08,943 4.452,944 263.655,945 0.08,946 25,947 139.207,951 19.347,952 9.028,953 4.453,954 2.447,955 47.45,956 22.475,957 7.832,958 3.416,961 3.683,962 1.941,963 16.786,964 509.123,965 44.5,975 56.556,976 64.268,977 0.248,978 0.607,979 0.823,980 0.907,981 0.916,982 0.916,983 5.032,984 1.474,985 5.878,986 4.312,987 4.533,988 5.081,989 1.528,990 6.65,991 4.453,992 6.2,993 1.294,994 7.403,995 3.417,996 3.892,997 4.677,998 0.325,999 7.466,1000 3.783,1001 7.48,1002 1.203,1003 9.032,1004 3.193,1005 6.08,1006 7.254,1007 1.603,1008 10.57,1009 5.927,1010 8.802,1011 1,1012 10.726,1013 2.679,1014 6.382,1015 7.834,1016 0.268,1017 12.287,1018 6.194,1019 10.162,1020 0.939,1021 12.464,1022 2.169,1023 7.922,1024 9.769,1025 1.778,1026 14.854,1027 7.702,1028 11.55,1029 0.879,1030 14.232,1031 2.136,1032 8.65,1033 10.816,1034 0.188,1035 16.916,1036 8.396,1037 12.958,1038 0.704,1039 16.02,1040 1.975,1041 9.93,1042 12.491,1043 1.991,1044 19.311,1045 9.65,1046 3.12,1047 0.618,1048 17.823,1049 1.698,1050 10.858,1051 13.77,1052 0.125,1053 21.515,1054 10.548,1055 2.868,1056 10.434,1057 19.637,1058 1.372,1059 12.03,1060 15.337,1061 2.225,1062 23.853,1063 11.697,1064 2.747,1065 9.073,1066 21.46,1067 4.518,1068 13.051,1069 16.731,1070 0.082,1071 26.119,1072 12.693,1073 2.517,1074 8.879,1075 23.289,1076 3.732,1077 14.181,1078 18.254,1079 2.473,1080 28.441,1081 13.803,1082 2.035,1083 6.964,1084 25.123,1085 3.444,1086 15.247,1087 19.704,1088 0.054,1089 30.736,1090 14.849,1091 1.779,1092 6.012,1093 26.962,1094 2.888,1095 16.362,1096 21.212,1097 2.73,1098 33.057,1099 15.947,1100 1.665,1101 4.655,1102 28.805,1103 2.785,1104 17.452,1105 22.689,1106 0.035,1107 35.368,1108 17.019,1109 13099,1110 19816,1111 24.038,1112 37.858,1113 50.735,1114 50.638,1115 50.498,1116 50.343,1117 50.366,1118 65.736,1119 3.902,1120 139.602,1121 48.309,1122 5.531,1123 5.217,1124 6.368,1125 5.166,1126 5.12,1127 7.518,1128 2.302,1129 17.112,1130 5.063,1132 1.492,1133 1.489,1134 1.485,1135 1.481,1136 1.481,1137 1.933,1138 0.115,1139 4.106,1140 1.421,1141 4.154,1142 4.193,1143 4.114,1144 4.061,1145 5.135,1146 4.07,1147 3.929,1148 3.972,1149 3.845,1150 3.849,1151 4.928,1152 3.843,1153 3.864,1154 3.919,1155 3.794,1156 3.717,1157 4.789,1158 3.718,1159 3.816,1160 3.887,1161 3.74,1162 3.575,1163 4.521,1164 3.616,1165 3.424,1166 3.485,1167 3.301,1168 3.286,1169 4.278,1170 3.284,1171 3.333,1172 3.382,1173 3.188,1174 3.112,1175 4.221,1176 3.12,1177 3.203,1178 3.286,1179 3.058,1180 3.002,1181 3.848,1182 3.006,1183 3.011,1184 3.092,1185 2.817,1186 2.873,1187 3.674,1188 2.85,1189 0.134,1190 0.095,1191 0.193,1192 0.121,1193 0.092,1194 4.569,1195 0.133,1196 3.217,1197 0.034,1198 6.566,1199 0.307,1200 4.101,1201 0.09,1202 3.12,1203 4.518,1204 1.151,1205 10.434,1206 3.063,1207 1.959,1208 1.935,1209 2.04,1210 2.052,1211 1.289,1212 2.049,1213 1.905,1214 1.877,1215 2.034,1216 1.998,1217 1.245,1218 2.011,1219 1.698,1220 1.639,1221 1.891,1222 1.893,1223 1.14,1224 1.897,1225 1.615,1226 1.556,1227 1.869,1228 1.788,1229 1.121,1230 1.818,1231 1.473,1232 1.406,1233 1.685,1234 1.704,1235 0.941,1236 1.698,1237 1.386,1238 1.32,1239 1.528,1240 1.616,1241 0.626,1242 1.602,1243 1.203,1244 1.146,1245 1.456,1246 1.452,1247 0.585,1248 1.456,1249 1.078,1250 0.983,1251 1.362,1252 1.442,1253 0.521,1254 1.379,1255 4.234,1257 5.533,1258 3.434,1259 7.015,1260 5.687,1261 8.58,1262 7.678,1263 10.192,1271 7.225,1273 6.036,1275 0.52,1276 2.591,1280 35.617,1281 82.444,1282 201.818,1283 273.72,1284 301.72,1285 304.475,1286 304.475,1287 35.397,1288 8.085,1289 58.97,1290 58.97,1291 27,1292 12.559,1293 4.459,1294 3.524,1295 41.797,1296 141,1297 141,1298 0.141,1299 215.641,1300 358.39,1301 517.924,1302 44683,1304 20.175,1305 0.673,1306 0.569,1307 20.175,1308 17.075,1309 14.865,1310 0.437,1311 0.314,1312 10.532,1313 14.324,1314 10.335,1315 8.531,1316 14.865,1317 10.674,1318 12.842,1319 0.279,1320 0.174,1321 12.842,1322 7.996,1323 11.306,1324 0.182,1325 0.098,1326 11.306,1327 6.057,1328 9.542,1329 0.119,1330 0.055,1331 9.542,1332 4.397,1333 6.844,1334 0.077,1335 0.031,1336 6.844,1337 2.72,1338 0.229,1339 92.796,1340 0.204,1341 28.96,1342 0.37,1343 160,1344 396.649,1345 172.315,1346 387.574,1347 544.39,1348 368,1349 188,1350 410.352,1351 202.174,1352 418.112,1353 606.83,1354 393,1355 7.022} {0 CHEMBL159396,1 1.459,2 13.379,3 2.493,4 6.213,5 116.047,6 7.331,7 0.636,8 4.091,9 4.233,10 3.669,11 3.584,12 5.136,13 3.576,14 4.644,15 4.848,16 3.997,17 3.999,18 5.597,19 3.961,20 4.869,21 5.109,22 3.954,23 4.139,24 5.689,25 4.042,26 4.948,27 5.208,28 3.866,29 4.145,30 5.744,31 4.017,32 4.953,33 5.24,34 3.769,35 4.079,36 5.7,37 3.93,38 4.826,39 5.108,40 3.694,41 3.968,42 5.559,43 3.828,44 4.723,45 5,46 3.637,47 3.856,48 5.512,49 3.733,50 4.636,51 4.911,52 3.473,53 3.773,54 5.415,55 3.639,56 0.044,57 0.898,58 11.278,59 4.122,60 10.492,61 6.043,62 0.317,63 1.419,64 21.797,65 6.829,66 21.461,67 10.25,68 0.256,69 1.604,70 28.543,71 9.673,72 22.09,73 14.601,74 0.267,75 1.642,76 31.72,77 10.573,78 29.564,79 16.158,80 0.366,81 1.56,82 33.186,83 10.926,84 33.063,85 16.76,86 0.247,87 1.39,88 28.937,89 9.661,90 23.7,91 14.872,92 0.277,93 1.276,94 26.025,95 8.136,96 25.831,97 12.682,98 0.279,99 1.164,100 23.774,101 7.225,102 24.726,103 11.276,105 45,106 0.24,107 0.603,108 0.753,109 0.825,110 0.825,111 0.825,112 3.407,113 0.915,114 -4.27,115 -4.21,116 -3.97,119 39.6,121 2,125 5,140 4,141 2,142 1,143 2,148 1,149 1,150 1,158 2,164 1,169 5,171 5,172 5,176 3,178 5,181 1,182 3,186 3,189 5,193 7,197 1,199 3,202 2,203 7,206 1,211 2,215 5,218 1,222 1,226 7,229 2,236 1,237 6,249 3,252 1,256 1,259 1363,260 20.43,261 20.43,262 20.43,263 20.43,264 20.43,265 18.016,266 23.65,267 12.293,268 21.014,269 16.34,270 16.34,271 16.34,272 16.34,273 16.34,274 12.788,275 28.691,276 5.863,277 17.292,278 4.269,279 2.065,280 1.155,281 0.717,282 0.717,283 0.717,284 4.124,288 1,289 1,290 878,291 2.646,294 148.512,295 281.46,298 125.519,302 2.048,303 13.593,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 388,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.138,327 6.143,328 3.779,329 2.87,330 3.731,331 0.8,332 9.054,333 2.611,334 4.081,335 2.885,336 6.095,337 3.689,338 2.752,339 3.55,341 8.884,342 2.577,343 3.526,344 2.733,345 5.33,346 3.356,347 2.439,348 2.813,350 6.923,351 2.238,352 3.421,353 2.186,354 5.127,355 3.017,356 2.037,357 2.6,359 6.002,360 1.991,361 3.249,362 1.945,363 4.515,364 2.765,365 1.823,366 2.568,368 4.655,369 1.715,370 3.112,371 1.794,372 4.447,373 2.727,374 1.773,375 2.255,377 4.519,378 1.686,379 2.744,380 1.381,381 4.133,382 2.328,383 1.343,384 1.85,386 3.48,387 1.322,388 2.534,389 1.266,390 3.535,391 2.169,392 1.208,393 1.542,395 2.773,396 1.158,397 2.5,398 1.146,399 3.432,400 2.013,401 1.061,402 1.5,404 2.438,405 1.007,406 2.412,407 1.122,408 3.414,409 1.967,410 1,411 1.379,413 2.275,414 0.965,415 2.232,416 1,417 3.311,418 1.917,419 1,420 1.166,422 2.136,423 0.916,424 2.118,425 0.922,426 3.247,427 1.85,428 0.886,429 1,431 2.083,432 0.852,433 2,434 0.657,435 3.17,436 1.55,437 0.618,438 0.927,440 1.441,441 0.566,442 1.968,443 0.618,444 3,445 1.518,446 0.592,447 0.805,449 1.372,450 0.556,451 13.7,452 0.472,453 0.479,454 0.017,455 39.25,456 1.353,457 18.5,458 0.638,459 20.75,460 0.716,461 22.731,462 0.784,463 30.7,464 0.579,465 25.783,466 0.889,467 7.671,468 0.265,469 6.694,470 0.231,473 0.27,479 0.895,480 1.58,481 0.776,482 1.193,483 0.605,484 1.004,485 1.158,486 0.975,487 0.978,488 0.897,489 0.781,490 0.91,491 0.974,492 1.044,493 1.026,494 1.059,495 0.747,496 1.052,497 0.972,498 1.06,499 1.086,500 1.122,501 1,502 1.121,503 0.791,504 0.856,505 0.973,506 0.985,507 0.934,508 1.002,509 0.753,510 0.995,511 0.918,512 1.036,513 0.68,514 1.007,515 0.919,516 0.984,517 0.972,518 1.002,519 0.895,520 0.996,521 1.161,522 0.927,523 1.157,524 1.02,525 1.319,526 1.077,527 4,528 0.108,529 3.111,530 1.069,531 0.757,532 0.778,533 0.483,534 0.178,535 0.11,536 0.144,537 13629,538 33259,539 2.237,540 45.3,541 2,542 14,543 1,544 4,545 1,547 2,550 1.712,551 2.203,552 3.695,553 -0.302,555 1,559 77.302,560 1.459,561 3.663,562 4.573,563 5.011,564 5.011,565 5.011,566 3.125,567 4.28,568 4.831,569 3.88,570 1575.29,571 8.372,572 22578.2,574 1,576 1,577 303.58,578 0.85,579 4.832,580 0.121,581 0.005,582 0.069,583 0.025,584 0.02,585 0.024,586 0.016,587 0.006,588 0.005,589 0.007,590 0.298,591 0.17,592 0.88,594 151.008,595 0.067,596 -0.344,597 0.095,598 -0.149,599 0.235,600 -0.043,601 0.001,602 0.176,603 -0.037,604 0.07,605 0.093,606 0.021,607 -0.094,608 -0.029,609 -0.077,610 -0.042,611 0.016,612 -0.054,613 -0.121,614 -0.099,615 -0.122,616 -0.108,617 -0.103,618 -0.114,619 0.056,620 0.043,621 0.02,622 0.018,623 -0.024,624 0.014,625 0.051,626 -0.095,627 0.068,628 -0.02,629 0.077,630 0.018,631 0.021,632 -0.053,633 0.023,634 -0.02,635 -0.001,636 -0.002,637 -0.17,638 0.026,639 -0.164,640 -0.051,641 -0.308,642 -0.098,643 0.824,644 1.361,645 0.897,646 31.31,647 0.998,648 1.138,649 3.037,650 9.224,651 0.663,652 3.526,653 3.829,654 4.127,655 4.382,656 4.554,657 4.635,658 4.779,659 4.875,660 4.913,661 4.97,662 7.843,663 0.63,664 388.53,665 3.526,666 5.056,667 5.911,668 6.777,669 7.643,670 8.515,671 9.387,672 10.262,673 11.137,674 12.014,675 15.1,678 1,681 1,683 2,685 4,687 2,688 9,689 4,690 1,693 3,694 1,695 21,709 1,714 53,716 21,717 1,718 33,720 57,721 21,722 14,723 3,724 3,730 5,731 6,743 2,745 14,746 7,761 1,764 24,765 6,766 1,767 8,773 8,777 0.8,787 1,788 1,792 2,793 3,796 1,815 1,819 4,827 29,833 7,838 2,844 1,854 13.167,855 9.4,856 6.361,857 3.286,858 3.619,859 1.451,860 1.031,861 5.244,862 11.641,863 3.795,864 4.382,865 4.996,866 5.587,867 6.024,868 6.358,869 6.809,870 7.216,871 7.403,872 7.625,873 0.889,874 42,875 10.675,877 4.496,878 7.477,879 21.016,881 17.518,883 1.977,884 57.333,887 1,888 270.735,889 110.441,890 91.83,895 110.441,896 270.735,897 91.83,899 15.598,900 46.952,901 131.219,902 51.543,903 15.814,904 211.88,906 270.735,907 202.271,911 247.193,912 23.542,915 74.638,916 60.736,917 66.897,919 270.735,920 91.83,921 110.441,924 270.735,925 28.156,926 90.432,927 16.786,928 66.897,929 270.735,930 91.83,931 110.441,933 0.573,934 0.339,935 0.187,936 0.094,937 23,938 8,939 0.105,940 6,941 1,942 1.077,943 4.371,944 252.234,945 0.077,946 26,947 128.881,951 18.286,952 8.316,953 4.021,954 2.454,955 73.146,956 17.506,957 16.528,958 3.398,961 3.295,962 1.937,963 16.786,964 473.006,965 43.5,975 52.883,976 60.308,977 0.255,978 0.639,979 0.798,980 0.875,981 0.875,982 0.875,983 5.012,984 1.343,985 5.861,986 4.519,987 4.511,988 5.069,989 1.072,990 6.64,991 4.404,992 6.186,993 1.208,994 7.391,995 3.48,996 3.892,997 4.677,998 0.57,999 7.466,1000 3.721,1001 7.469,1002 1.061,1003 9.023,1004 2.773,1005 6.066,1006 7.253,1007 0.653,1008 10.568,1009 5.855,1010 8.793,1011 1,1012 10.72,1013 2.438,1014 6.365,1015 7.839,1016 0.479,1017 12.28,1018 6.098,1019 10.156,1020 1,1021 12.46,1022 2.275,1023 7.91,1024 9.776,1025 0.432,1026 14.852,1027 7.609,1028 11.546,1029 0.886,1030 14.228,1031 2.136,1032 8.631,1033 10.828,1034 0.346,1035 16.91,1036 8.291,1037 12.958,1038 0.618,1039 16.017,1040 2.083,1041 9.917,1042 12.503,1043 0.291,1044 19.308,1045 9.547,1046 3.118,1047 0.592,1048 17.82,1049 1.441,1050 10.839,1051 13.785,1052 0.237,1053 21.51,1054 10.443,1055 2.87,1056 10.431,1057 19.634,1058 1.372,1059 12.016,1060 15.35,1061 0.195,1062 23.849,1063 11.595,1064 2.752,1065 9.054,1066 21.456,1067 4.518,1068 13.034,1069 16.744,1070 0.158,1071 26.114,1072 12.596,1073 2.439,1074 8.884,1075 23.285,1076 3.731,1077 14.167,1078 18.266,1079 0.129,1080 28.436,1081 13.71,1082 2.037,1083 6.923,1084 25.119,1085 3.55,1086 15.232,1087 19.715,1088 0.104,1089 30.731,1090 14.763,1091 1.823,1092 6.002,1093 26.958,1094 2.813,1095 16.349,1096 21.221,1097 0.084,1098 33.051,1099 15.865,1100 1.773,1101 4.655,1102 28.8,1103 2.6,1104 17.438,1105 22.697,1106 0.068,1107 35.362,1108 16.944,1109 12314,1110 19395,1111 23.345,1112 35.137,1113 49.643,1114 48.9,1115 49.108,1116 49.094,1117 49.069,1118 64.442,1119 3.2,1120 137.004,1121 46.466,1122 5.568,1123 5.197,1124 6.367,1125 5.168,1126 5.118,1127 7.518,1128 1.2,1129 17.096,1130 5.062,1132 1.504,1133 1.482,1134 1.488,1135 1.488,1136 1.487,1137 1.953,1138 0.097,1139 4.152,1140 1.408,1141 4.153,1142 4.191,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.912,1148 3.981,1149 3.842,1150 3.713,1151 5.003,1152 3.735,1153 3.829,1154 3.904,1155 3.789,1156 3.598,1157 4.926,1158 3.63,1159 3.719,1160 3.786,1161 3.619,1162 3.532,1163 4.337,1164 3.549,1165 3.494,1166 3.563,1167 3.352,1168 3.346,1169 4.253,1170 3.342,1171 3.273,1172 3.342,1173 3.162,1174 3.105,1175 3.964,1176 3.109,1177 3.111,1178 3.206,1179 2.896,1180 2.941,1181 3.962,1182 2.91,1183 3.019,1184 3.109,1185 2.866,1186 2.811,1187 3.769,1188 2.821,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.094,1194 4.568,1195 0.137,1196 3.197,1197 0.024,1198 6.566,1199 0.316,1200 4.099,1201 0.093,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.051,1210 2.063,1211 1.354,1212 2.06,1213 1.83,1214 1.764,1215 2,1216 2.042,1217 1.236,1218 2.032,1219 1.708,1220 1.652,1221 1.873,1222 1.895,1223 1.1,1224 1.892,1225 1.604,1226 1.544,1227 1.792,1228 1.789,1229 0.825,1230 1.797,1231 1.402,1232 1.331,1233 1.575,1234 1.658,1235 0.777,1236 1.637,1237 1.298,1238 1.23,1239 1.513,1240 1.502,1241 0.713,1242 1.509,1243 1.153,1244 1.064,1245 1.478,1246 1.442,1247 0.579,1248 1.429,1249 1.078,1250 0.982,1251 1.234,1252 1.376,1253 0.397,1254 1.379,1255 4.205,1257 5.509,1258 3.045,1259 7.008,1260 5.283,1261 8.591,1262 7.286,1263 10.22,1271 7.41,1276 4.805,1280 33.386,1281 77.302,1282 194.138,1283 242.361,1284 265.58,1285 265.58,1286 265.58,1287 30.971,1288 8.021,1289 78.76,1290 78.76,1291 28,1292 12.552,1293 4.459,1294 3.524,1295 39.978,1296 139,1297 128,1298 0.138,1299 203.25,1300 330.7,1301 487.691,1302 40073,1304 19.468,1305 0.671,1306 0.561,1307 19.468,1308 16.276,1309 14.365,1310 0.435,1311 0.305,1312 9.895,1313 13.719,1314 9.741,1315 8.026,1316 14.365,1317 10.06,1318 12.489,1319 0.278,1320 0.164,1321 12.489,1322 7.394,1323 11.064,1324 0.181,1325 0.092,1326 11.064,1327 5.596,1328 9.318,1329 0.118,1330 0.05,1331 9.318,1332 3.987,1333 7.143,1334 0.076,1335 0.029,1336 7.143,1337 2.723,1338 0.225,1339 90.316,1340 0.207,1341 28.274,1342 0.355,1343 156,1344 407.849,1345 171.126,1346 400.889,1347 566.71,1348 380,1349 184,1350 437.11,1351 201.013,1352 441.738,1353 642.28,1354 416,1355 9.222} {0 CHEMBL159483,1 1.434,2 15.344,3 3.743,4 14.012,5 127.325,6 6.76,7 0.444,8 4.249,9 4.381,10 3.743,11 3.778,12 5.209,13 3.743,14 4.839,15 5.025,16 4.09,17 4.216,18 5.778,19 4.143,20 5.113,21 5.356,22 3.995,23 4.343,24 5.883,25 4.199,26 5.183,27 5.469,28 3.889,29 4.288,30 5.904,31 4.119,32 5.068,33 5.345,34 3.868,35 4.217,36 5.796,37 4.062,38 5.035,39 5.301,40 3.906,41 4.214,42 5.788,43 4.075,44 5.022,45 5.277,46 3.921,47 4.204,48 5.818,49 4.07,50 5.021,51 5.293,52 3.819,53 4.147,54 5.788,55 3.998,56 0.062,57 0.948,58 14.907,59 5.979,60 8.05,61 8.423,62 0.425,63 1.581,64 28.335,65 10.232,66 35.863,67 14.848,68 0.275,69 1.914,70 37.701,71 14.096,72 28.465,73 20.642,74 0.399,75 1.93,76 41.592,77 14.583,78 41.977,79 21.805,80 0.312,81 1.753,82 36.683,83 13.232,84 34.155,85 19.68,86 0.274,87 1.713,88 35.336,89 12.786,90 31.667,91 18.914,92 0.291,93 1.711,94 34.835,95 12.532,96 34.124,97 18.451,98 0.347,99 1.672,100 35.18,101 12.027,102 32.984,103 18.103,104 2,105 49,106 0.229,107 0.562,108 0.779,109 0.879,110 0.893,111 0.893,112 3.502,113 0.977,114 -3.53,115 -3.5,116 -3.34,119 40.6,121 3,122 1,125 6,127 1,140 8,141 4,149 1,150 1,157 1,169 14,171 1,172 3,174 2,176 6,178 14,182 2,186 7,189 10,193 3,195 1,197 5,199 7,203 4,206 1,208 4,211 7,215 7,220 2,222 6,226 7,230 1,231 4,233 5,237 4,240 1,242 1,244 6,249 2,252 2,253 1,254 1,256 7,259 1970,260 22.187,261 22.187,262 22.187,263 22.187,264 22.187,265 20.152,266 26.909,267 13.341,268 22.574,269 17.847,270 17.847,271 17.847,272 17.847,273 17.847,274 14.755,275 31.993,276 6.449,277 18.441,278 4.566,279 2.476,280 1.117,281 0.492,282 0.406,283 0.406,284 4.214,288 1,289 1,290 1093,291 3.24,294 265.107,295 212.373,298 142.693,302 2.49,303 20.311,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68,315 491,316 4.552,317 3.681,318 6.548,319 4.085,320 3.098,321 4.504,322 2.186,323 10.366,324 3.059,325 3.899,326 3.184,327 5.659,328 3.703,329 2.746,330 3.444,331 0.8,332 7.915,333 2.631,334 3.886,335 2.957,336 5.644,337 3.675,338 2.723,339 3.173,340 0.657,341 7.871,342 2.594,343 3.741,344 2.759,345 5.34,346 3.51,347 2.517,348 2.925,349 0.366,350 6.965,351 2.498,352 3.654,353 2.736,354 5.235,355 3.298,356 2.317,357 2.754,359 6.614,360 2.256,361 3.349,362 2.299,363 5.098,364 3.03,365 2.065,366 2.651,368 6.011,369 1.989,370 3.024,371 2.184,372 4.878,373 2.845,374 1.882,375 2.127,377 5.571,378 1.803,379 2.971,380 2.026,381 4.553,382 2.677,383 1.694,384 2.011,386 4.736,387 1.649,388 2.907,389 1.672,390 4.14,391 2.524,392 1.538,393 1.981,395 3.459,396 1.516,397 2.705,398 1.491,399 3.676,400 2.247,401 1.266,402 1.784,404 3.224,405 1.24,406 2.5,407 1.325,408 3.391,409 2.024,410 1.074,411 1.5,413 2.378,414 1.017,415 2.251,416 1.248,417 3.295,418 2,419 1,420 1.2,422 2.136,423 1,424 2.14,425 1,426 3.27,427 1.802,428 0.847,429 1.07,431 1.961,432 0.807,433 1.786,434 0.952,435 3.247,436 1.683,437 0.734,438 0.754,440 1.739,441 0.69,442 1.757,443 0.824,444 3.237,445 1.591,446 0.703,447 0.731,449 1.681,450 0.621,451 15.267,452 0.477,453 0.619,454 0.019,455 36.5,456 1.141,457 15.5,458 0.484,459 21,460 0.656,461 30.086,462 0.94,463 35.133,464 0.549,465 25.362,466 0.793,467 7.1,468 0.222,469 8.625,470 0.27,471 0.022,473 0.288,479 0.874,480 1.34,481 0.881,482 1.116,483 0.609,484 1.01,485 0.885,486 1.096,487 1.041,488 1.02,489 0.54,490 1.035,491 0.813,492 1.165,493 1.105,494 1.174,495 0.705,496 1.172,497 0.824,498 0.948,499 0.972,500 0.955,501 0.81,502 0.975,503 0.702,504 0.973,505 0.926,506 0.98,507 0.676,508 0.976,509 0.788,510 1.01,511 0.929,512 0.992,513 0.547,514 0.975,515 0.848,516 1.096,517 0.983,518 1.068,519 0.856,520 1.044,521 0.849,522 1.029,523 1.018,524 1.032,525 0.732,526 1.033,527 6,528 0.078,529 2.444,530 1.806,531 0.894,532 0.674,533 0.531,534 0.335,535 0.258,536 0.159,537 18051,538 40059,539 2.194,540 50,542 21,543 1,545 3,547 6,548 1,550 1.739,551 2.133,552 3.873,553 0.791,555 1,559 91.789,560 1.434,561 3.524,562 4.883,563 5.508,564 5.594,565 5.594,566 3.367,567 4.601,568 4.967,569 4.067,570 2017.22,571 8.656,572 31933.5,574 1,577 384,578 1.043,579 4.964,580 0.167,581 0.003,582 0.05,583 0.043,584 0.024,585 0.018,586 0.014,587 0.009,588 0.008,589 0.006,590 0.341,591 0.33,592 0.88,593 0.313,594 173.387,595 -0.03,596 -0.099,597 0.065,598 -0.009,599 0.003,600 0.033,601 0.139,602 0.06,603 -0.064,604 0.011,605 0.146,606 -0.038,607 -0.073,608 -0.138,609 -0.153,610 -0.157,611 -0.045,612 -0.163,613 -0.026,614 0.004,616 0.013,617 -0.041,618 0.009,619 0.019,620 -0.002,621 0.036,622 0.004,623 0.002,624 0.02,625 -0.014,626 -0.025,627 0.035,628 0.001,629 0.044,630 0.023,631 -0.001,632 -0.095,633 -0.013,634 -0.075,635 -0.01,636 -0.051,637 0.007,638 -0.037,639 -0.04,640 -0.068,642 -0.057,643 1.974,644 4.279,645 0.781,646 43.23,647 0.991,648 1.129,649 2.299,650 5.285,651 0.65,652 3.611,653 3.912,654 4.159,655 4.419,656 4.533,657 4.585,658 4.754,659 4.927,660 5.024,661 5.147,662 8.8,663 0.608,664 432.62,665 3.611,666 5.142,667 5.979,668 6.841,669 7.69,670 8.556,671 9.413,672 10.281,673 11.143,674 12.014,675 6.3,677 1,678 1,682 1,683 1,687 2,688 9,690 1,693 3,695 16,714 64,716 17,717 2,718 36,720 68,721 26,722 14,723 4,724 8,730 5,731 6,740 2,741 1,743 4,745 15,746 11,747 1,750 1,755 1,759 1,764 32,765 5,766 3,767 6,773 4,777 0.8,778 2,788 1,789 1,792 3,793 2,796 1,814 1,815 1,816 1,819 4,827 32,833 9,834 2,835 1,837 2,838 1,847 3.1,850 1,852 1,854 15,855 10.95,856 6.972,857 3.981,858 2.998,859 1.363,860 1.005,861 6.769,862 11.246,863 3.829,864 4.366,865 4.886,866 5.437,867 5.878,868 6.089,869 6.471,870 6.848,871 6.888,872 7.141,873 1,874 42,875 11.881,877 5.066,878 7.505,879 23.609,881 20.183,883 2.005,884 64.167,888 341.362,889 128.618,890 55.931,892 36.145,895 128.618,896 377.507,897 55.931,899 40.735,900 102.868,901 25.145,902 43.039,903 20.678,904 329.591,906 341.362,907 184.55,908 36.145,911 258.964,912 118.543,915 78.656,916 105.894,919 341.362,920 92.076,921 128.618,924 341.362,925 43.761,926 87.982,927 52.807,928 36.145,929 341.362,930 92.076,931 128.618,933 0.575,934 0.326,935 0.177,936 0.087,937 24,938 9,939 0.132,940 9,941 1,942 1.08,943 4.684,944 280.679,945 0.08,946 25,947 156,951 21.505,952 10.073,953 5.544,954 2.48,955 75.291,956 19.339,958 3.421,961 3.961,963 52.807,964 562.056,965 45,970 11.279,974 -0.308,975 63.432,976 72.225,977 0.239,978 0.587,979 0.814,980 0.918,981 0.932,982 0.932,983 5.063,984 1.694,985 5.932,986 5.571,987 4.595,988 5.053,989 2.43,990 6.681,991 4.534,992 6.219,993 1.538,994 7.442,995 4.736,996 4.007,997 4.718,998 1.847,999 7.402,1000 3.939,1001 7.492,1002 1.266,1003 9.046,1004 3.459,1005 6.129,1006 7.162,1007 3.515,1008 10.482,1009 6.015,1010 8.799,1011 1.074,1012 10.705,1013 3.224,1014 6.399,1015 7.744,1016 3.598,1017 12.086,1018 6.272,1019 10.142,1020 1,1021 12.403,1022 2.378,1023 7.924,1024 9.641,1025 4.908,1026 14.645,1027 7.767,1028 11.509,1029 0.847,1030 14.129,1031 2.136,1032 8.603,1033 10.685,1034 5.29,1035 16.645,1036 8.43,1037 12.898,1038 0.734,1039 15.876,1040 1.961,1041 9.876,1042 12.356,1043 6.387,1044 19.036,1045 9.682,1046 3.098,1047 0.703,1048 17.641,1049 1.739,1050 10.762,1051 13.638,1052 6.93,1053 21.22,1054 10.554,1055 2.746,1056 10.366,1057 19.42,1058 1.681,1059 11.927,1060 15.211,1061 7.902,1062 23.561,1063 11.702,1064 2.723,1065 7.915,1066 21.213,1067 4.504,1068 12.919,1069 16.611,1070 8.539,1071 25.828,1072 12.681,1073 2.517,1074 7.871,1075 23.016,1076 3.444,1077 14.04,1078 18.142,1079 9.436,1080 28.158,1081 13.789,1082 2.317,1083 6.965,1084 24.829,1085 3.173,1086 15.086,1087 19.598,1088 10.13,1089 30.462,1090 14.825,1091 2.065,1092 6.614,1093 26.652,1094 2.925,1095 16.192,1096 21.112,1097 10.981,1098 32.792,1099 15.921,1100 1.882,1101 6.011,1102 28.481,1103 2.754,1104 17.267,1105 22.594,1106 11.71,1107 35.113,1108 16.988,1109 16526,1110 24810,1111 25.137,1112 41.591,1113 53.367,1114 54.361,1115 53.692,1116 53.124,1117 53.218,1118 66.15,1119 8.02,1120 147.271,1121 51.529,1122 5.51,1123 5.681,1124 6.35,1125 5.134,1126 5.098,1127 7.504,1128 3.889,1129 17.034,1130 5.059,1131 8.076,1132 1.482,1133 1.51,1134 1.491,1135 1.476,1136 1.478,1137 1.838,1138 0.223,1139 4.091,1140 1.431,1141 4.145,1142 4.179,1143 4.099,1144 4.065,1145 7.435,1146 4.069,1147 3.937,1148 3.986,1149 3.85,1150 3.857,1151 4.961,1152 3.85,1153 3.858,1154 3.909,1155 3.75,1156 3.726,1157 4.76,1158 3.723,1159 3.795,1160 3.836,1161 3.716,1162 3.596,1163 4.547,1164 3.612,1165 3.508,1166 3.567,1167 3.402,1168 3.358,1169 4.386,1170 3.362,1171 3.395,1172 3.468,1173 3.263,1174 3.179,1175 4.27,1176 3.188,1177 3.251,1178 3.33,1179 3.091,1180 3.06,1181 4.119,1182 3.06,1183 3.014,1184 3.074,1185 2.882,1186 2.853,1187 3.847,1188 2.848,1189 0.126,1190 0.102,1191 0.182,1192 0.113,1193 0.086,1194 4.552,1195 0.125,1196 3.681,1197 0.061,1198 6.548,1199 0.288,1200 4.085,1201 0.085,1202 3.098,1203 4.504,1204 2.186,1205 10.366,1206 3.059,1207 1.971,1208 1.949,1209 2.068,1210 2.047,1211 1.324,1212 2.055,1213 1.913,1214 1.881,1215 2.047,1216 2.01,1217 1.314,1218 2.025,1219 1.695,1220 1.636,1221 1.911,1222 1.883,1223 1.202,1224 1.891,1225 1.671,1226 1.612,1227 1.885,1228 1.84,1229 1.142,1230 1.864,1231 1.546,1232 1.487,1233 1.749,1234 1.754,1235 1.022,1236 1.756,1237 1.433,1238 1.359,1239 1.655,1240 1.653,1241 0.887,1242 1.659,1243 1.266,1244 1.186,1245 1.539,1246 1.563,1247 0.709,1248 1.527,1249 1.161,1250 1.156,1251 1.412,1252 1.507,1253 0.556,1254 1.477,1255 4.29,1257 5.595,1258 3.434,1259 7.066,1260 5.733,1261 8.613,1262 7.743,1263 10.204,1271 9.076,1272 6.498,1273 5.019,1275 0.802,1276 2.6,1280 38.89,1281 91.789,1282 225.522,1283 312.49,1284 352.49,1285 358,1286 358,1287 45.397,1288 8.248,1289 69.39,1290 69.39,1291 27,1292 12.558,1293 4.17,1294 3.322,1295 46.074,1296 169,1297 170,1298 0.129,1299 234.955,1300 404.32,1301 565.05,1302 55700,1304 21.753,1305 0.68,1306 0.577,1307 21.753,1308 18.479,1309 15.725,1310 0.437,1311 0.326,1312 11.58,1313 15.225,1314 11.357,1315 9.355,1316 15.725,1317 11.719,1318 14.018,1319 0.286,1320 0.187,1321 14.018,1322 9.16,1323 11.686,1324 0.185,1325 0.107,1326 11.686,1327 6.724,1328 9.844,1329 0.12,1330 0.06,1331 9.844,1332 4.958,1333 7.319,1334 0.08,1335 0.035,1336 7.319,1337 3.218,1338 0.211,1339 97.813,1340 0.199,1341 30.933,1342 0.328,1343 170,1344 410.115,1345 183.332,1346 397.82,1347 549.07,1348 376,1349 197,1350 401.274,1351 210.199,1352 408.76,1353 596.7,1354 385,1355 9.456} {0 CHEMBL159493,1 1.386,2 13.31,3 3.222,4 10.379,5 120.12,6 7.028,7 0.636,8 4.112,9 4.252,10 3.653,11 3.651,12 5.122,13 3.621,14 4.663,15 4.855,16 3.981,17 4.079,18 5.57,19 4.017,20 4.92,21 5.163,22 3.893,23 4.192,24 5.698,25 4.062,26 4.987,27 5.263,28 3.813,29 4.157,30 5.723,31 4.003,32 4.935,33 5.226,34 3.767,35 4.083,36 5.637,37 3.932,38 4.812,39 5.069,40 3.802,41 4.054,42 5.577,43 3.932,44 4.863,45 5.127,46 3.744,47 4.045,48 5.639,49 3.902,50 4.811,51 5.106,52 3.486,53 3.904,54 5.506,55 3.727,56 0.079,57 0.881,58 12.244,59 4.705,60 11.364,61 6.771,62 0.223,63 1.432,64 22.58,65 7.978,66 19.148,67 11.725,68 0.214,69 1.662,70 30.43,71 11.217,72 22.644,73 16.616,74 0.277,75 1.686,76 33.648,77 11.97,78 29.433,79 17.983,80 0.297,81 1.576,82 32.392,83 11.443,84 27.169,85 17.231,86 0.198,87 1.473,88 27.705,89 9.905,90 21.016,91 14.848,92 0.302,93 1.532,94 29.481,95 10.251,96 26.83,97 15.383,98 0.242,99 1.363,100 28.746,101 9.755,102 25.906,103 14.902,105 45,106 0.226,107 0.57,108 0.744,109 0.851,110 0.868,111 0.868,112 3.407,113 0.938,114 -4.99,115 -4.89,116 -4.59,119 41.8,121 2,122 1,125 4,140 8,141 2,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 5,176 6,178 8,182 3,186 6,189 6,193 6,195 1,197 1,199 6,203 6,206 2,211 7,215 5,220 1,222 5,225 1,226 5,229 2,231 3,233 3,237 1,242 1,244 4,248 2,249 2,253 1,254 1,256 6,259 1407,260 20.378,261 20.378,262 20.378,263 20.378,264 20.378,265 17.939,266 24.134,267 12.266,268 20.767,269 16.352,270 16.352,271 16.352,272 16.352,273 16.352,274 12.77,275 29.832,276 5.896,277 16.99,278 4.396,279 2.294,280 1.227,281 0.573,282 0.473,283 0.473,284 4.123,288 1,289 1,290 871,291 2.828,294 227.667,295 183.769,298 123.274,302 2.114,303 11.036,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61,315 386,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.971,327 6.096,328 3.718,329 2.77,330 3.732,331 0.4,332 8.885,333 2.64,334 3.908,335 2.869,336 5.654,337 3.676,338 2.729,339 3.446,341 7.898,342 2.572,343 3.724,344 2.655,345 5.339,346 3.472,347 2.503,348 2.828,350 6.964,351 2.426,352 3.425,353 2.221,354 5.136,355 3.061,356 2.085,357 2.717,359 6.074,360 2.03,361 3.25,362 2.049,363 4.862,364 2.854,365 1.896,366 2.586,368 5.538,369 1.809,370 3.02,371 1.792,372 4.514,373 2.722,374 1.767,375 2.131,377 4.654,378 1.683,379 2.865,380 1.555,381 4.122,382 2.468,383 1.485,384 1.944,386 3.427,387 1.458,388 2.722,389 1.313,390 3.635,391 2.247,392 1.27,393 1.815,395 3.138,396 1.239,397 2.5,398 1.043,399 3.375,400 2,401 1,402 1.5,404 2.226,405 1,406 2.402,407 1,408 3.307,409 1.938,410 0.978,411 1.359,413 2.136,414 0.937,415 2.147,416 0.929,417 3.247,418 1.818,419 0.849,420 1.03,422 1.99,423 0.821,424 2.118,425 0.757,426 3.234,427 1.649,428 0.689,429 0.927,431 1.665,432 0.66,433 1.887,434 0.713,435 3.109,436 1.518,437 0.618,438 0.823,440 1.372,441 0.556,442 1.604,443 0.618,444 3,445 1.475,446 0.524,447 0.56,449 1.262,450 0.497,451 13.9,452 0.479,453 0.496,454 0.017,455 38,456 1.31,457 18.5,458 0.638,459 19.5,460 0.672,461 23.398,462 0.807,463 30.5,464 0.555,465 24.919,466 0.859,467 7.388,468 0.255,469 6.961,470 0.24,473 0.273,479 0.938,480 1.348,481 0.834,482 1.074,483 0.697,484 0.965,485 1.196,486 1.08,487 1.02,488 0.993,489 0.828,490 0.988,491 0.964,492 1.107,493 1.088,494 1.14,495 0.78,496 1.13,497 0.871,498 0.993,499 0.996,500 1.036,501 0.827,502 1.031,503 0.767,504 0.864,505 0.869,506 0.901,507 0.798,508 0.897,509 0.921,510 1.064,511 0.947,512 1.019,513 0.843,514 0.991,515 0.941,516 1.036,517 1.084,518 1.107,519 0.975,520 1.111,521 0.997,522 0.974,523 1.033,524 1.013,525 1.115,526 1.025,527 4.5,528 0.105,529 2.667,530 1.014,531 1.024,532 0.614,533 0.419,534 0.222,535 0.147,536 0.096,537 13514,538 29894,539 2.237,540 47.3,542 16,543 1,544 2,545 2,547 4,548 1,550 1.713,551 2.203,552 3.686,553 0.194,555 1,559 76.212,560 1.386,561 3.488,562 4.554,563 5.208,564 5.309,565 5.309,566 3.142,567 4.28,568 4.828,569 3.877,570 1573.88,571 8.376,572 22532.7,574 1,577 317.975,578 0.85,579 4.832,580 0.136,581 0.005,582 0.059,583 0.026,584 0.029,585 0.018,586 0.012,587 0.007,588 0.006,589 0.004,590 0.303,591 0.17,592 0.88,594 150.885,595 0.093,596 -0.14,597 0.082,598 -0.04,599 0.211,600 0.01,601 -0.064,602 0.061,603 -0.069,604 -0.001,605 0.038,606 -0.029,607 -0.104,608 -0.11,609 -0.132,610 -0.129,612 -0.133,613 0.004,614 -0.056,615 -0.016,616 -0.044,617 0.023,618 -0.034,619 0.107,620 0.049,621 0.121,622 0.087,623 0.077,624 0.103,625 -0.029,626 -0.089,627 0.024,628 -0.019,629 -0.003,630 0.004,631 0.054,632 -0.058,633 -0.102,634 -0.131,635 -0.056,636 -0.133,637 -0.07,638 -0.066,639 -0.036,640 -0.04,641 -0.141,642 -0.035,643 0.612,644 1.076,645 0.862,646 32.537,647 0.99,648 1.13,649 3.76,650 14.139,651 0.666,652 3.526,653 3.829,654 4.111,655 4.369,656 4.5,657 4.595,658 4.754,659 4.92,660 4.977,661 5.03,662 7.806,663 0.625,664 386.55,665 3.526,666 5.056,667 5.905,668 6.77,669 7.632,670 8.502,671 9.371,672 10.244,673 11.117,674 11.994,675 10.9,678 1,680 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,707 1,714 55,716 21,717 2,718 33,720 59,721 23,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 2,745 16,746 7,747 1,761 1,764 26,765 4,766 2,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,815 1,819 4,827 29,833 6,834 1,837 1,838 1,844 1,854 13.167,855 9.55,856 6.333,857 3.379,858 3.614,859 1.45,860 1.034,861 5.33,862 11.65,863 3.795,864 4.382,865 4.982,866 5.57,867 5.997,868 6.331,869 6.787,870 7.224,871 7.429,872 7.661,873 0.889,874 39,875 10.696,877 4.526,878 7.42,879 21.25,881 17.994,883 1.92,884 55.667,887 1,888 282.506,889 129.003,890 73.146,895 129.003,896 282.506,897 73.146,899 13.492,900 84.857,901 92.116,902 33.081,903 13.915,904 247.193,906 282.506,907 202.148,911 223.651,912 58.856,915 52.538,916 98.274,917 51.337,919 282.506,920 73.146,921 129.003,924 282.506,925 26.908,926 107.118,927 34.796,928 33.326,929 282.506,930 73.146,931 129.003,933 0.574,934 0.334,935 0.182,936 0.088,937 23,938 8,939 0.119,940 7,941 1,942 1.08,943 4.392,944 251.467,945 0.08,946 25,947 132.881,951 18.408,952 8.397,953 4.212,954 2.473,955 54.461,956 22.581,957 7.824,958 3.414,961 3.686,962 1.945,963 34.796,964 484.655,965 43.5,975 54.447,976 62.142,977 0.24,978 0.603,979 0.788,980 0.901,981 0.918,982 0.918,983 5.012,984 1.485,985 5.855,986 4.654,987 4.511,988 5.069,989 0.824,990 6.621,991 4.438,992 6.186,993 1.27,994 7.376,995 3.427,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.783,1001 7.467,1002 1,1003 8.995,1004 3.138,1005 6.057,1006 7.247,1007 0.413,1008 10.497,1009 5.915,1010 8.788,1011 0.978,1012 10.676,1013 2.226,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.169,1019 10.146,1020 0.849,1021 12.399,1022 2.136,1023 7.881,1024 9.763,1025 0.246,1026 14.738,1027 7.678,1028 11.531,1029 0.689,1030 14.15,1031 1.99,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.356,1037 12.937,1038 0.618,1039 15.923,1040 1.665,1041 9.868,1042 12.486,1043 0.157,1044 19.177,1045 9.613,1046 3.119,1047 0.524,1048 17.712,1049 1.372,1050 10.78,1051 13.766,1052 0.125,1053 21.377,1054 10.5,1055 2.77,1056 10.433,1057 19.513,1058 1.262,1059 11.951,1060 15.334,1061 0.102,1062 23.721,1063 11.653,1064 2.729,1065 8.885,1066 21.325,1067 4.518,1068 12.962,1069 16.729,1070 0.082,1071 25.992,1072 12.645,1073 2.503,1074 7.898,1075 23.146,1076 3.732,1077 14.091,1078 18.253,1079 0.067,1080 28.322,1081 13.757,1082 2.085,1083 6.964,1084 24.974,1085 3.446,1086 15.152,1087 19.703,1088 0.054,1089 30.626,1090 14.803,1091 1.896,1092 6.074,1093 26.808,1094 2.828,1095 16.267,1096 21.211,1097 0.043,1098 32.955,1099 15.903,1100 1.767,1101 5.538,1102 28.647,1103 2.717,1104 17.355,1105 22.688,1106 0.035,1107 35.275,1108 16.977,1109 12248,1110 18390,1111 23.345,1112 36.648,1113 49.414,1114 49.209,1115 49.034,1116 49.214,1117 49.243,1118 64.631,1119 2.4,1120 136.994,1121 47.435,1122 5.521,1123 5.202,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.2,1129 17.106,1130 5.062,1132 1.497,1133 1.491,1134 1.486,1135 1.491,1136 1.492,1137 1.959,1138 0.073,1139 4.151,1140 1.437,1141 4.154,1142 4.193,1143 4.114,1144 4.061,1145 5.135,1146 4.069,1147 3.938,1148 3.991,1149 3.852,1150 3.84,1151 4.927,1152 3.837,1153 3.847,1154 3.91,1155 3.791,1156 3.711,1157 4.782,1158 3.709,1159 3.811,1160 3.873,1161 3.722,1162 3.576,1163 4.365,1164 3.616,1165 3.445,1166 3.512,1167 3.316,1168 3.301,1169 4.25,1170 3.3,1171 3.272,1172 3.351,1173 3.149,1174 3.07,1175 4.041,1176 3.078,1177 3.148,1178 3.24,1179 2.986,1180 2.938,1181 3.828,1182 2.938,1183 2.896,1184 2.971,1185 2.76,1186 2.76,1187 3.674,1188 2.753,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.095,1194 4.569,1195 0.137,1196 3.202,1197 0.024,1198 6.566,1199 0.316,1200 4.1,1201 0.093,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.315,1212 2.049,1213 1.894,1214 1.86,1215 2.026,1216 2.004,1217 1.268,1218 2.014,1219 1.685,1220 1.625,1221 1.89,1222 1.879,1223 1.115,1224 1.885,1225 1.655,1226 1.597,1227 1.876,1228 1.807,1229 1.056,1230 1.838,1231 1.44,1232 1.365,1233 1.65,1234 1.693,1235 0.894,1236 1.677,1237 1.375,1238 1.31,1239 1.519,1240 1.593,1241 0.591,1242 1.585,1243 1.11,1244 1.022,1245 1.4,1246 1.442,1247 0.566,1248 1.389,1249 1.078,1250 0.982,1251 1.313,1252 1.368,1253 0.473,1254 1.379,1255 4.205,1257 5.509,1258 3.434,1259 6.991,1260 5.687,1261 8.553,1262 7.678,1263 10.161,1271 6.848,1272 3.576,1275 0.721,1276 2.597,1280 34.396,1281 76.212,1282 191.815,1283 250.465,1284 286.465,1285 291.975,1286 291.975,1287 32.279,1288 8.035,1289 61.77,1290 61.77,1291 27,1292 12.533,1293 4.459,1294 3.524,1295 39.913,1296 137,1297 134,1298 0.139,1299 208.847,1300 343.3,1301 501.346,1302 41014,1304 19.468,1305 0.671,1306 0.568,1307 19.468,1308 16.46,1309 14.348,1310 0.435,1311 0.313,1312 10.188,1313 13.871,1314 9.998,1315 8.27,1316 14.348,1317 10.313,1318 12.583,1319 0.28,1320 0.175,1321 12.583,1322 7.865,1323 10.972,1324 0.183,1325 0.098,1326 10.972,1327 5.904,1328 9.195,1329 0.118,1330 0.054,1331 9.195,1332 4.247,1333 6.794,1334 0.076,1335 0.031,1336 6.794,1337 2.778,1338 0.226,1339 89.186,1340 0.207,1341 28.266,1342 0.361,1343 156,1344 363.246,1345 166.824,1346 362.957,1347 515.13,1348 344,1349 183,1350 397.054,1351 195.462,1352 405.333,1353 586.49,1354 382,1355 8.041} {0 CHEMBL159627,1 1.52,2 10.13,3 1.225,4 1.5,5 92.129,6 7.078,7 0.577,8 3.902,9 4.039,10 3.439,11 3.392,12 4.938,13 3.376,14 4.463,15 4.657,16 3.773,17 3.836,18 5.384,19 3.786,20 4.703,21 4.941,22 3.681,23 3.953,24 5.51,25 3.831,26 4.784,27 5.053,28 3.614,29 3.912,30 5.611,31 3.77,32 4.683,33 4.977,34 3.492,35 3.768,36 5.438,37 3.624,38 4.468,39 4.724,40 3.492,41 3.665,42 5.303,43 3.566,44 4.466,45 4.714,46 3.433,47 3.637,48 5.346,49 3.523,50 4.424,51 4.713,52 3.172,53 3.486,54 5.215,55 3.338,56 0.06,57 0.706,58 9.978,59 3.724,60 10.152,61 5.351,62 0.216,63 1.139,64 18.727,65 6.324,66 18.915,67 9.341,68 0.177,69 1.282,70 24.584,71 8.894,72 19.371,73 13.209,74 0.302,75 1.272,76 27.887,77 9.402,78 35.064,79 14.19,80 0.287,81 1.138,82 25.641,83 8.268,84 28.601,85 12.78,86 0.184,87 0.997,88 19.942,89 6.383,90 20.394,91 9.851,92 0.249,93 0.999,94 19.82,95 6.36,96 24.439,97 9.664,98 0.189,99 0.872,100 19.628,101 5.934,102 23.027,103 9.424,104 3,105 36,106 0.264,107 0.643,108 0.819,109 0.876,110 0.876,111 0.876,112 3.188,113 0.936,114 -3.6,115 -3.57,116 -3.41,119 38.6,121 2,122 1,125 4,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 5,171 2,172 5,176 4,178 4,182 3,186 4,189 4,193 6,195 1,199 4,203 6,206 2,211 3,215 3,220 1,222 2,225 1,226 3,229 2,231 3,233 2,242 1,244 2,248 2,249 2,253 1,254 1,256 2,259 733,260 16.11,261 16.11,262 16.11,263 16.11,264 16.11,265 14.422,266 17.307,267 9.505,268 16.462,269 12.797,270 12.797,271 12.797,272 12.797,273 12.797,274 10.258,275 16.537,276 4.454,277 13.383,278 3.939,279 1.753,280 0.733,281 0.409,282 0.409,283 0.409,284 3.888,288 1,289 1,290 518,291 2.55,294 170.399,295 57.333,298 89.673,302 1.539,303 13.535,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49.5,315 233,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.967,327 6.096,328 3.707,329 2.765,330 3.732,332 8.885,333 2.616,334 3.733,335 2.867,336 5.637,337 3.664,338 2.715,339 2.828,341 7.83,342 2.567,343 3.425,344 2.257,345 5.137,346 3.061,347 2.088,348 2.714,350 6.064,351 2.028,352 3.249,353 2.082,354 4.852,355 2.845,356 1.891,357 2.586,359 5.463,360 1.794,361 2.964,362 1.792,363 4.514,364 2.721,365 1.766,366 1.983,368 4.654,369 1.682,370 2.724,371 1.32,372 4.122,373 2.248,374 1.272,375 1.818,377 3.423,378 1.24,379 2.402,380 1.116,381 3.371,382 1.936,383 0.977,384 1.359,386 2.214,387 0.934,388 2.145,389 0.98,390 3.299,391 1.806,392 0.841,393 1.024,395 1.928,396 0.808,397 2.118,398 0.776,399 3.234,400 1.648,401 0.686,402 0.927,404 1.655,405 0.658,406 1.841,407 0.755,408 3.061,409 1.518,410 0.618,411 0.795,413 1.372,414 0.556,415 1.549,416 0.618,417 3,418 1.357,419 0.409,420 0.458,422 0.937,423 0.384,424 1.306,425 0.409,426 2.574,427 1.164,428 0.261,429 0.276,431 0.409,432 0.234,433 0.849,434 -0.297,435 2.435,436 0.45,437 -0.508,438 -0.631,440 -1.312,441 -0.484,442 0.629,443 -0.686,444 2.225,445 0.179,446 -0.808,447 -1.023,449 -2.39,450 -0.792,451 10.833,452 0.471,453 0.427,454 0.019,455 27.75,456 1.207,457 12,458 0.522,459 15.75,460 0.685,461 18.538,462 0.806,463 25.167,464 0.572,465 17.455,466 0.759,467 5.36,468 0.233,469 5.971,470 0.26,471 0.031,473 0.305,479 0.932,480 1.434,481 0.835,482 1.136,483 0.847,484 1,485 1.072,486 1.036,487 0.998,488 0.947,489 0.839,490 0.955,491 0.786,492 1.103,493 1.048,494 1.17,495 0.643,496 1.149,497 0.864,498 1.006,499 0.966,500 1.04,501 0.989,502 1.031,503 0.714,504 0.862,505 0.836,506 0.884,507 0.711,508 0.88,509 0.943,510 1.049,511 0.901,512 0.938,513 0.842,514 0.915,515 0.932,516 1.067,517 1.097,518 1.125,519 0.926,520 1.134,521 0.897,522 1.002,523 1.012,524 1.023,525 0.788,526 1.022,527 4,528 0.068,529 2.444,530 1.076,531 0.873,532 0.524,533 0.348,534 0.148,535 0.159,536 0.09,537 6271,538 15048,539 2.196,540 47.7,542 11,543 1,544 2,545 2,547 4,548 1,550 1.655,551 2.123,552 3.322,553 0.321,554 1,555 1,557 1,559 66.88,560 1.52,561 3.707,562 4.726,563 5.05,564 5.05,565 5.05,566 2.773,567 4.089,568 4.493,569 3.461,570 875.723,571 7.726,572 10027.8,574 1,577 240.215,578 1.121,579 4.483,580 0.154,581 0.006,582 0.068,583 0.035,584 0.031,585 0.021,586 0.013,587 0.006,588 0.009,589 0.006,590 0.349,591 0.33,592 1,593 0.59,594 108.23,595 0.002,596 -0.175,597 0.068,598 -0.042,599 0.015,600 0.007,601 -0.111,602 0.131,603 -0.061,604 0.079,605 -0.064,606 0.024,607 -0.07,608 -0.09,609 -0.12,610 -0.124,611 0.001,612 -0.127,613 0.017,614 -0.091,615 0.002,616 -0.033,617 -0.02,618 -0.023,619 0.076,620 0.033,621 0.142,622 0.091,623 0.022,624 0.118,625 -0.071,626 -0.062,627 0.064,628 0.056,629 -0.04,630 0.076,631 0.005,632 -0.048,633 -0.132,634 -0.148,635 -0.08,636 -0.163,637 -0.063,638 -0.078,639 -0.033,640 -0.07,641 -0.034,642 -0.045,643 1.189,644 3.254,645 0.826,646 19.679,647 0.998,648 1.137,649 2.371,650 5.622,651 0.649,652 3.296,653 3.611,654 3.912,655 4.174,656 4.277,657 4.407,658 4.543,659 4.71,660 4.754,661 4.787,662 5.954,663 0.614,664 311.43,665 3.296,666 4.828,667 5.687,668 6.561,669 7.434,670 8.314,671 9.192,672 10.075,673 10.957,674 11.842,675 11.4,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 44,716 15,717 1,718 26,720 47,721 17,722 10,723 3,724 3,730 4,731 5,736 1,740 1,741 1,743 2,745 10,746 7,747 1,760 1,761 1,764 21,765 4,766 2,767 6,773 5,777 0.75,778 1,779 1,788 1,789 1,792 3,793 1,796 1,815 1,817 1,819 3,827 23,832 1,833 6,837 1,838 1,844 1,847 2.3,848 1,854 10.833,855 7.583,856 5.083,857 2.68,858 2.796,859 1.384,860 0.988,861 4.06,862 10.08,863 3.541,864 4.135,865 4.762,866 5.374,867 5.79,868 6.238,869 6.716,870 7.167,871 7.369,872 7.604,873 0.857,874 31,875 8.487,877 3.615,878 7.565,879 16.716,881 14.226,883 2.065,884 47.5,888 223.651,889 76.759,890 55.135,892 42.683,895 76.759,896 266.334,897 55.135,899 11.386,900 80.16,901 74.105,902 30.324,903 13.915,904 188.338,906 223.651,907 131.894,908 42.683,911 164.795,912 58.856,913 42.683,915 50.432,916 48.136,917 33.326,919 223.651,920 97.818,921 76.759,924 223.651,925 22.046,926 59.737,927 16.786,928 76.009,929 223.651,930 97.818,931 76.759,933 0.576,934 0.345,935 0.187,936 0.088,937 19,938 7,939 0.106,940 5,941 1,942 1.105,943 3.698,944 185.518,945 0.105,946 19,947 100.042,951 14.729,952 6.34,953 2.988,954 2.417,955 79.134,956 11.898,957 7.741,958 3.357,961 2.409,962 1.919,963 59.469,964 398.228,965 33.5,975 43.905,976 50.023,977 0.278,978 0.679,979 0.866,980 0.925,981 0.925,982 0.925,983 4.769,984 0.977,985 5.652,986 3.423,987 4.29,988 4.82,989 0.673,990 6.447,991 4.207,992 5.95,993 0.841,994 7.195,995 2.214,996 3.761,997 4.543,998 0.325,999 7.298,1000 3.652,1001 7.244,1002 0.686,1003 8.836,1004 1.928,1005 5.866,1006 7.032,1007 0.379,1008 10.387,1009 5.712,1010 8.581,1011 0.618,1012 10.536,1013 1.655,1014 6.236,1015 7.724,1016 0.268,1017 12.102,1018 6.055,1019 9.956,1020 0.409,1021 12.276,1022 1.372,1023 7.727,1024 9.6,1025 0.239,1026 14.674,1027 7.513,1028 11.357,1029 0.261,1030 14.043,1031 0.937,1032 8.494,1033 10.734,1034 0.188,1035 16.737,1036 8.257,1037 12.778,1038 -0.508,1039 15.829,1040 0.409,1041 9.75,1042 12.378,1043 0.156,1044 19.142,1045 9.487,1046 3.119,1047 -0.808,1048 17.63,1049 -1.312,1050 10.7,1051 13.714,1052 0.125,1053 21.353,1054 10.418,1055 2.765,1056 10.433,1057 19.442,1058 -2.39,1059 11.863,1060 15.267,1061 0.102,1062 23.702,1063 11.56,1064 2.715,1065 8.885,1066 21.264,1067 4.518,1068 12.899,1069 16.693,1070 0.082,1071 25.979,1072 12.58,1073 2.088,1074 7.83,1075 23.093,1076 3.732,1077 14.027,1078 18.212,1079 0.066,1080 28.312,1081 13.691,1082 1.891,1083 6.064,1084 24.928,1085 2.828,1086 15.103,1087 19.68,1088 0.054,1089 30.619,1090 14.753,1091 1.766,1092 5.463,1093 26.768,1094 2.714,1095 16.22,1096 21.187,1097 0.043,1098 32.949,1099 15.855,1100 1.272,1101 4.654,1102 28.614,1103 2.586,1104 17.316,1105 22.674,1106 0.035,1107 35.271,1108 16.939,1109 5861,1110 9194,1111 18.087,1112 28.574,1113 38.804,1114 39.144,1115 39.312,1116 38.749,1117 38.818,1118 50.033,1119 1.6,1120 110.533,1121 37.129,1122 5.519,1123 5.202,1124 6.163,1125 5.16,1126 5.119,1127 7.518,1128 1.2,1129 17.106,1130 5.062,1131 6.423,1132 1.492,1133 1.506,1134 1.512,1135 1.49,1136 1.493,1137 1.924,1138 0.062,1139 4.251,1140 1.428,1141 4.153,1142 4.191,1143 4.113,1144 4.06,1145 6.456,1146 4.068,1147 3.884,1148 3.948,1149 3.795,1150 3.727,1151 5.134,1152 3.727,1153 3.82,1154 3.894,1155 3.751,1156 3.577,1157 4.927,1158 3.618,1159 3.443,1160 3.505,1161 3.315,1162 3.298,1163 4.329,1164 3.297,1165 3.255,1166 3.324,1167 3.128,1168 3.042,1169 4.242,1170 3.051,1171 3.111,1172 3.191,1173 2.925,1174 2.868,1175 3.847,1176 2.867,1177 2.894,1178 2.97,1179 2.738,1180 2.755,1181 3.613,1182 2.743,1183 2.78,1184 2.88,1185 2.508,1186 2.543,1187 3.413,1188 2.521,1189 0.176,1190 0.123,1191 0.253,1192 0.158,1193 0.12,1194 4.569,1195 0.174,1196 3.202,1197 0.031,1198 6.566,1199 0.401,1200 4.1,1201 0.118,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.287,1212 2.049,1213 1.686,1214 1.627,1215 1.899,1216 1.882,1217 1.267,1218 1.888,1219 1.656,1220 1.601,1221 1.876,1222 1.83,1223 1.115,1224 1.853,1225 1.44,1226 1.365,1227 1.648,1228 1.693,1229 0.891,1230 1.677,1231 1.375,1232 1.31,1233 1.517,1234 1.593,1235 0.586,1236 1.584,1237 1.078,1238 0.985,1239 1.376,1240 1.442,1241 0.522,1242 1.379,1243 1.071,1244 0.982,1245 1.26,1246 1.337,1247 0.414,1248 1.358,1249 0.891,1250 0.815,1251 1.219,1252 1.223,1253 0.183,1254 1.237,1255 3.97,1257 5.283,1258 3.434,1259 6.774,1260 5.687,1261 8.348,1262 7.678,1263 9.97,1270 9.254,1271 5.6,1275 0.457,1276 2.448,1280 27.036,1281 66.88,1282 163.09,1283 207.95,1284 222.215,1285 222.215,1286 222.215,1287 27.768,1288 7.284,1289 69.97,1290 69.97,1291 21,1292 12.375,1293 4,1294 3.087,1295 31.958,1296 81,1297 89,1298 0.192,1299 164.67,1300 268.47,1301 393.555,1302 14211,1304 15.648,1305 0.68,1306 0.566,1307 15.648,1308 13.02,1309 11.331,1310 0.436,1311 0.312,1312 7.989,1313 10.839,1314 7.853,1315 6.465,1316 11.331,1317 8.115,1318 9.91,1319 0.275,1320 0.175,1321 9.91,1322 6.301,1323 8.842,1324 0.18,1325 0.098,1326 8.842,1327 4.793,1328 7.357,1329 0.115,1330 0.053,1331 7.357,1332 3.411,1333 5.225,1334 0.074,1335 0.03,1336 5.225,1337 2.13,1338 0.301,1339 71.334,1340 0.235,1341 22.721,1342 0.522,1343 124,1344 317.063,1345 134.542,1346 309.076,1347 430.3,1348 292,1349 147,1350 322.879,1351 158.959,1352 327.924,1353 476.43,1354 308,1355 7.585} {0 CHEMBL159650,1 1.348,2 14.906,3 3.943,4 15.545,5 133.07,6 6.697,7 0.583,8 4.244,9 4.388,10 3.743,11 3.774,12 5.215,13 3.733,14 4.816,15 5.024,16 4.065,17 4.203,18 5.667,19 4.13,20 5.066,21 5.305,22 3.998,23 4.346,24 5.809,25 4.202,26 5.203,27 5.496,28 3.959,29 4.341,30 5.877,31 4.174,32 5.128,33 5.404,34 3.906,35 4.297,36 5.821,37 4.128,38 5.154,39 5.458,40 3.864,41 4.256,42 5.806,43 4.084,44 5.015,45 5.29,46 3.845,47 4.19,48 5.737,49 4.031,50 5.022,51 5.319,52 3.691,53 4.128,54 5.692,55 3.949,56 0.094,57 0.999,58 14.958,59 5.694,60 13.249,61 8.383,62 0.284,63 1.629,64 27.695,65 9.43,66 21.368,67 14.28,68 0.221,69 1.905,70 35.521,71 13.552,72 23.889,73 20.128,74 0.341,75 2.019,76 41.929,77 14.934,78 33.069,79 22.686,80 0.28,81 1.912,82 38.495,83 14.149,84 29.018,85 21.3,86 0.351,87 1.892,88 40.212,89 13.882,90 30.499,91 21.295,92 0.278,93 1.724,94 34.427,95 12.542,96 27.954,97 18.891,98 0.326,99 1.671,100 35.191,101 11.997,102 28.779,103 18.43,104 2,105 49,106 0.214,107 0.54,108 0.751,109 0.84,110 0.867,111 0.867,112 3.502,113 0.97,114 -5.35,115 -5.23,116 -4.89,119 40.6,121 3,122 1,124 1,125 5,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 7,176 3,178 11,182 6,186 3,189 8,192 1,193 8,197 1,199 6,203 7,206 1,211 7,215 6,218 1,222 7,226 6,229 2,233 5,236 1,237 6,242 2,244 4,249 2,256 5,259 1836,260 22.239,261 22.239,262 22.239,263 22.239,264 22.239,265 19.8,266 26.706,267 13.419,268 22.67,269 17.852,270 17.852,271 17.852,272 17.852,273 17.852,274 14.28,275 31.402,276 6.456,277 18.553,278 4.652,279 2.601,280 1.274,281 0.711,282 0.543,283 0.543,284 4.213,289 1,290 1066,291 3.464,294 266.129,295 215.435,298 144.775,302 2.299,303 11.183,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67,315 477,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.03,327 6.095,328 3.744,329 2.788,330 3.731,331 0.8,332 8.884,333 2.67,334 3.936,335 2.891,336 5.704,337 3.688,338 2.751,339 3.455,340 0.172,341 8.055,342 2.577,343 3.752,344 2.867,345 5.461,346 3.556,347 2.583,348 2.816,350 7.331,351 2.522,352 3.433,353 2.407,354 5.133,355 3.142,356 2.195,357 2.761,359 6.127,360 2.076,361 3.281,362 2.189,363 5.028,364 3.01,365 2.035,366 2.591,368 5.973,369 1.972,370 3.245,371 1.92,372 4.544,373 2.748,374 1.791,375 2.336,377 4.741,378 1.708,379 2.922,380 1.793,381 4.514,382 2.712,383 1.754,384 2.025,386 4.654,387 1.676,388 2.75,389 1.491,390 4.132,391 2.381,392 1.391,393 1.852,395 3.473,396 1.375,397 2.683,398 1.351,399 3.572,400 2.285,401 1.304,402 1.709,404 2.99,405 1.277,406 2.5,407 1.136,408 3.449,409 2.058,410 1.094,411 1.5,413 2.472,414 1.052,415 2.416,416 1,417 3.319,418 2,419 1,420 1.385,422 2.136,423 1,424 2.228,425 0.934,426 3.266,427 1.858,428 0.892,429 1.163,431 2.091,432 0.859,433 2.118,434 0.817,435 3.247,436 1.699,437 0.726,438 0.927,440 1.736,441 0.705,442 1.966,443 0.628,444 3.161,445 1.529,446 0.618,447 0.827,449 1.384,450 0.556,451 15.4,452 0.481,453 0.602,454 0.019,455 39.25,456 1.227,457 18,458 0.563,459 21.25,460 0.664,461 29.176,462 0.912,463 34.4,464 0.538,465 26.627,466 0.832,467 7.601,468 0.238,469 8.142,470 0.254,471 0.032,473 0.273,479 0.902,480 1.437,481 0.88,482 1.159,483 0.69,484 1.041,485 1.36,486 0.996,487 1.04,488 0.921,489 0.837,490 0.944,491 0.89,492 1.185,493 1.124,494 1.225,495 0.766,496 1.202,497 0.853,498 0.908,499 0.915,500 0.93,501 0.689,502 0.929,503 0.789,504 1.082,505 1.01,506 1.113,507 0.845,508 1.089,509 0.923,510 0.851,511 0.898,512 0.866,513 0.75,514 0.877,515 0.757,516 1.066,517 0.972,518 1.085,519 0.841,520 1.055,521 1.069,522 0.893,523 1.038,524 0.955,525 1.143,526 0.987,527 5.5,528 0.092,529 2.667,530 1.764,531 0.979,532 0.907,533 0.445,534 0.261,535 0.17,536 0.155,537 18075,538 37891,539 2.194,540 50,541 2,542 21,543 1,544 2,545 1,547 4,548 1,550 1.738,551 2.133,552 3.841,553 -0.403,559 86.279,560 1.348,561 3.399,562 4.726,563 5.289,564 5.457,565 5.457,566 3.269,567 4.5,568 4.973,569 4.047,570 2007.14,571 8.656,572 31768.4,574 1,577 384,578 1.043,579 4.964,580 0.153,581 0.004,582 0.054,583 0.041,584 0.024,585 0.024,586 0.012,587 0.007,588 0.006,589 0.006,590 0.331,591 0.33,592 0.88,593 0.313,594 173.329,595 0.15,596 -0.2,597 0.091,598 -0.076,599 0.248,600 -0.012,601 -0.099,602 0.163,603 -0.04,604 0.081,605 0.044,606 0.035,607 -0.083,608 -0.163,609 -0.164,610 -0.188,611 -0.019,612 -0.185,613 0.027,614 0.023,615 0.063,616 0.053,617 0.11,618 0.061,619 0.037,620 -0.129,621 -0.041,622 -0.11,623 0.005,624 -0.088,625 0.015,626 0.067,627 0.089,628 0.1,629 0.083,630 0.101,631 0.11,632 -0.106,633 0.002,634 -0.086,635 0.042,636 -0.058,637 -0.07,638 0.048,639 -0.049,640 0.007,641 -0.164,642 -0.015,643 0.564,644 0.928,645 0.781,646 38.734,647 0.986,648 1.131,649 4.115,650 16.936,651 0.655,652 3.611,653 3.912,654 4.174,655 4.443,656 4.543,657 4.635,658 4.771,659 4.883,660 4.942,661 4.997,662 8.749,663 0.609,664 428.64,665 3.611,666 5.142,667 5.984,668 6.849,669 7.704,670 8.574,671 9.435,672 10.309,673 11.174,674 12.05,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 3,745 16,746 10,747 1,764 32,765 4,766 1,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,815 2,819 4,823 1,827 32,833 8,837 1,838 2,844 1,854 15,855 11.5,856 7,857 3.966,858 3.535,859 1.433,860 1.01,861 6.562,862 11.699,863 3.861,864 4.431,865 5.009,866 5.596,867 6.008,868 6.336,869 6.78,870 7.201,871 7.387,872 7.613,873 0.9,874 43,875 11.826,877 4.946,878 7.38,879 23.665,881 19.942,883 1.88,884 60.167,888 364.904,889 142.468,890 58.259,895 142.468,896 364.904,897 58.259,898 8.396,899 18.132,900 84.857,901 74.105,902 36.634,903 13.915,904 329.591,906 364.904,907 200.727,911 306.049,912 58.856,915 60.303,916 107.099,917 33.326,919 364.904,920 58.259,921 142.468,924 364.904,925 31.977,926 118.639,927 16.786,928 33.326,929 364.904,930 58.259,931 142.468,933 0.573,934 0.329,935 0.184,936 0.088,937 24,938 9,939 0.132,940 9,941 1,942 1.08,943 4.655,944 281.939,945 0.08,946 25,947 152,951 21.234,952 9.888,953 5.248,954 2.498,955 39.575,956 22.928,957 7.847,958 3.428,961 3.898,962 1.954,963 16.786,964 565.632,965 46.5,975 63.098,976 72.387,977 0.225,978 0.566,979 0.788,980 0.881,981 0.909,982 0.909,983 5.083,984 1.754,985 5.938,986 4.741,987 4.595,988 5.118,989 1.242,990 6.701,991 4.522,992 6.252,993 1.391,994 7.456,995 4.654,996 4.007,997 4.732,998 0.57,999 7.466,1000 3.89,1001 7.528,1002 1.304,1003 9.073,1004 3.473,1005 6.138,1006 7.272,1007 0.883,1008 10.564,1009 5.996,1010 8.843,1011 1.094,1012 10.75,1013 2.99,1014 6.431,1015 7.846,1016 0.581,1017 12.215,1018 6.248,1019 10.195,1020 1,1021 12.467,1022 2.472,1023 7.954,1024 9.775,1025 0.68,1026 14.787,1027 7.752,1028 11.574,1029 0.892,1030 14.213,1031 2.136,1032 8.66,1033 10.818,1034 0.515,1035 16.812,1036 8.424,1037 12.975,1038 0.726,1039 15.98,1040 2.091,1041 9.933,1042 12.492,1043 0.541,1044 19.21,1045 9.679,1046 3.118,1047 0.618,1048 17.764,1049 1.736,1050 10.841,1051 13.77,1052 0.441,1053 21.4,1054 10.56,1055 2.788,1056 10.431,1057 19.561,1058 1.384,1059 12.008,1060 15.337,1061 0.438,1062 23.742,1063 11.71,1064 2.751,1065 8.884,1066 21.368,1067 4.518,1068 13.016,1069 16.731,1070 0.373,1071 26.007,1072 12.697,1073 2.583,1074 8.055,1075 23.184,1076 3.731,1077 14.141,1078 18.254,1079 0.358,1080 28.335,1081 13.807,1082 2.195,1083 7.331,1084 25.008,1085 3.455,1086 15.198,1087 19.704,1088 0.314,1089 30.635,1090 14.847,1091 2.035,1092 6.127,1093 26.839,1094 2.816,1095 16.31,1096 21.212,1097 0.296,1098 32.962,1099 15.944,1100 1.791,1101 5.973,1102 28.675,1103 2.761,1104 17.394,1105 22.689,1106 0.264,1107 35.28,1108 17.013,1109 16497,1110 24110,1111 25.137,1112 41.932,1113 53.946,1114 53.052,1115 53.499,1116 53.209,1117 53.213,1118 68.564,1119 3.778,1120 147.703,1121 51.263,1122 5.533,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.096,1130 5.062,1131 7.613,1132 1.498,1133 1.474,1134 1.486,1135 1.478,1136 1.478,1137 1.905,1138 0.105,1139 4.103,1140 1.424,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.95,1148 4.002,1149 3.861,1150 3.862,1151 4.927,1152 3.856,1153 3.866,1154 3.919,1155 3.791,1156 3.735,1157 4.756,1158 3.733,1159 3.824,1160 3.895,1161 3.753,1162 3.586,1163 4.385,1164 3.624,1165 3.561,1166 3.638,1167 3.418,1168 3.394,1169 4.257,1170 3.392,1171 3.443,1172 3.521,1173 3.299,1174 3.25,1175 4.157,1176 3.254,1177 3.265,1178 3.336,1179 3.141,1180 3.1,1181 3.913,1182 3.101,1183 3.006,1184 3.09,1185 2.855,1186 2.849,1187 3.695,1188 2.836,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.025,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.96,1208 1.936,1209 2.052,1210 2.052,1211 1.338,1212 2.05,1213 1.917,1214 1.884,1215 2.044,1216 2.019,1217 1.309,1218 2.032,1219 1.721,1220 1.66,1221 1.927,1222 1.906,1223 1.153,1224 1.918,1225 1.692,1226 1.632,1227 1.915,1228 1.858,1229 1.147,1230 1.881,1231 1.492,1232 1.421,1233 1.712,1234 1.722,1235 0.968,1236 1.718,1237 1.392,1238 1.322,1239 1.656,1240 1.633,1241 0.816,1242 1.638,1243 1.366,1244 1.285,1245 1.537,1246 1.597,1247 0.664,1248 1.602,1249 1.185,1250 1.104,1251 1.447,1252 1.442,1253 0.578,1254 1.434,1255 4.29,1257 5.595,1258 3.434,1259 7.071,1260 5.687,1261 8.627,1262 7.678,1263 10.23,1265 2.251,1271 9.456,1275 0.781,1276 5.126,1280 38.977,1281 86.279,1282 217.508,1283 302.49,1284 338.49,1285 349.245,1286 349.245,1287 38.765,1288 8.163,1289 52.98,1290 52.98,1291 27,1292 12.591,1293 4.459,1294 3.524,1295 46.131,1296 172,1297 158,1298 0.128,1299 237.624,1300 395.2,1301 571.561,1302 50317,1304 21.753,1305 0.68,1306 0.588,1307 21.753,1308 18.821,1309 15.742,1310 0.437,1311 0.323,1312 11.502,1313 15.226,1314 11.207,1315 9.318,1316 15.742,1317 11.643,1318 13.936,1319 0.284,1320 0.187,1321 13.936,1322 9.154,1323 11.702,1324 0.183,1325 0.103,1326 11.702,1327 6.624,1328 10.076,1329 0.12,1330 0.06,1331 10.076,1332 5.026,1333 7.195,1334 0.077,1335 0.034,1336 7.195,1337 3.184,1338 0.211,1339 97.792,1340 0.199,1341 30.884,1342 0.325,1343 170,1344 382.558,1345 180.852,1346 382.585,1347 539.23,1348 362,1349 198,1350 410.124,1351 211.128,1352 422.467,1353 609.17,1354 395,1355 8.377} {0 CHEMBL159683,1 1.36,2 13.226,3 3.877,4 15.028,5 128.129,6 6.797,7 0.6,8 4.202,9 4.344,10 3.715,11 3.733,12 5.185,13 3.696,14 4.769,15 4.975,16 4.044,17 4.159,18 5.636,19 4.093,20 5.015,21 5.253,22 3.988,23 4.303,24 5.774,25 4.17,26 5.14,27 5.416,28 3.964,29 4.313,30 5.841,31 4.155,32 5.146,33 5.437,34 3.937,35 4.281,36 5.838,37 4.126,38 5.089,39 5.362,40 3.929,41 4.282,42 5.79,43 4.127,44 5.107,45 5.391,46 3.921,47 4.257,48 5.824,49 4.097,50 5.036,51 5.326,52 3.747,53 4.163,54 5.735,55 3.991,56 0.087,57 0.96,58 14.061,59 5.359,60 12.786,61 7.849,62 0.272,63 1.567,64 26.144,65 8.819,66 20.419,67 13.319,68 0.258,69 1.831,70 33.705,71 12.591,72 24.16,73 18.678,74 0.255,75 1.948,76 38.992,77 14.2,78 29.686,79 21.443,80 0.39,81 1.939,82 39.922,83 13.549,84 32.376,85 20.738,86 0.253,87 1.86,88 36.982,89 13.539,90 26.785,91 20.372,92 0.341,93 1.874,94 38.061,95 13.646,96 31.928,97 20.576,98 0.321,99 1.719,100 35.638,101 12.323,102 30.784,103 18.789,104 2,105 48,106 0.218,107 0.552,108 0.769,109 0.857,110 0.865,111 0.865,112 3.472,113 0.958,114 -5.14,115 -5.04,116 -4.71,119 41,121 3,124 1,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 3,178 10,181 1,182 6,186 3,189 7,193 9,199 4,203 9,206 2,211 4,215 6,222 5,225 1,226 6,229 2,231 2,233 7,237 2,240 1,244 8,248 2,249 3,256 8,259 1670,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.146,266 24.411,267 12.963,268 22.018,269 17.34,270 17.34,271 17.34,272 17.34,273 17.34,274 13.768,275 28.793,276 6.202,277 18.05,278 4.571,279 2.49,280 1.131,281 0.582,282 0.537,283 0.537,284 4.183,288 1,289 1,290 917,291 3.317,294 242.093,295 190.517,298 127.881,302 2.054,303 11.247,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 410,316 4.569,317 3.22,318 6.566,319 4.101,320 3.121,321 4.518,322 0.916,323 10.434,324 3.063,325 4.129,326 3.145,327 6.173,328 3.841,329 2.899,330 3.732,331 0.8,332 9.176,333 2.731,334 3.953,335 2.902,336 6.094,337 3.686,338 2.749,339 3.455,340 0.172,341 8.881,342 2.575,343 3.857,344 2.865,345 5.477,346 3.564,347 2.588,348 2.905,350 7.363,351 2.53,352 3.426,353 2.337,354 5.132,355 3.06,356 2.109,357 2.792,359 6.027,360 2.012,361 3.252,362 2.167,363 4.85,364 2.974,365 2.008,366 2.588,368 5.547,369 1.921,370 3.207,371 1.795,372 4.515,373 2.73,374 1.776,375 2.294,377 4.655,378 1.69,379 2.826,380 1.595,381 4.242,382 2.457,383 1.476,384 1.927,386 3.867,387 1.448,388 2.739,389 1.465,390 4.097,391 2.352,392 1.369,393 1.841,395 3.37,396 1.343,397 2.5,398 1.294,399 3.573,400 2.2,401 1.234,402 1.5,404 2.978,405 1.19,406 2.462,407 1.191,408 3.458,409 2.089,410 1.111,411 1.456,413 2.491,414 1.084,415 2.359,416 1,417 3.349,418 2,419 1,420 1.315,422 2.167,423 1,424 2.137,425 0.992,426 3.247,427 1.9,428 0.939,429 1.125,431 2.136,432 0.9,433 2.118,434 0.759,435 3.23,436 1.662,437 0.705,438 0.946,440 1.698,441 0.673,442 2.084,443 0.618,444 3.013,445 1.518,446 0.618,447 0.927,449 1.372,450 0.556,451 14.9,452 0.481,453 0.585,454 0.019,455 38.75,456 1.25,457 18,458 0.581,459 20.75,460 0.669,461 27.777,462 0.896,463 33.1,464 0.543,465 26.749,466 0.863,467 7.581,468 0.245,469 7.678,470 0.248,471 0.034,473 0.282,479 0.901,480 1.434,481 0.862,482 1.146,483 0.694,484 1.025,485 1.352,486 1.018,487 1.022,488 0.917,489 0.837,490 0.932,491 0.959,492 1.09,493 1.116,494 1.152,495 0.783,496 1.15,497 0.787,498 1.103,499 0.952,500 1.081,501 0.672,502 1.042,503 1.009,504 0.86,505 0.954,506 0.888,507 0.847,508 0.911,509 0.828,510 1.044,511 0.967,512 1.05,513 0.784,514 1.028,515 0.74,516 0.974,517 0.924,518 1.007,519 0.817,520 0.988,521 1.013,522 0.923,523 1.041,524 0.989,525 1.14,526 1.013,527 5,528 0.114,529 3.111,530 1.514,531 1.094,532 0.833,533 0.527,534 0.242,535 0.193,536 0.184,537 15260,538 32488,539 2.2,540 49.2,542 20,543 1,544 2,545 1,547 6,550 1.734,551 2.138,552 3.678,553 -0.393,559 82.962,560 1.36,561 3.441,562 4.799,563 5.349,564 5.394,565 5.394,566 3.127,567 4.503,568 4.926,569 3.869,570 1799.06,571 8.59,572 26611,574 1,577 361.775,578 1.058,579 4.918,580 0.143,581 0.004,582 0.065,583 0.035,584 0.027,585 0.021,586 0.013,587 0.006,588 0.006,589 0.006,590 0.327,591 0.33,592 0.88,593 0.32,594 163.63,595 0.144,596 -0.206,597 0.092,598 -0.079,599 0.232,600 -0.013,601 -0.091,602 0.138,603 -0.032,604 0.074,605 0.037,606 0.035,607 -0.078,608 -0.061,609 -0.154,610 -0.13,611 -0.025,612 -0.146,613 0.031,614 -0.16,615 0.018,616 -0.078,617 0.11,618 -0.039,619 0.002,620 0.088,621 0.039,622 0.076,623 0.021,624 0.064,625 -0.007,626 -0.093,627 0.002,628 -0.044,629 0.023,630 -0.024,631 0.147,632 -0.036,633 0.056,634 -0.02,635 0.072,636 0.004,637 -0.058,638 0.018,639 -0.055,640 -0.016,641 -0.162,642 -0.032,643 0.688,644 0.94,645 0.806,646 33.657,647 0.987,648 1.131,649 3.911,650 15.296,651 0.659,652 3.584,653 3.892,654 4.174,655 4.443,656 4.554,657 4.654,658 4.812,659 4.963,660 5.024,661 5.088,662 7.775,663 0.614,664 414.61,665 3.584,666 5.118,667 5.969,668 6.838,669 7.702,670 8.577,671 9.447,672 10.324,673 11.198,674 12.079,675 9.8,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 35,720 65,721 25,722 16,723 4,724 8,730 5,731 6,740 3,743 4,745 16,746 9,764 30,765 4,766 1,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,815 2,819 4,823 1,827 31,833 7,837 1,838 2,844 1,854 14.5,855 11,856 6.778,857 3.766,858 3.556,859 1.437,860 1.015,861 6.054,862 11.689,863 3.839,864 4.419,865 5.009,866 5.596,867 6.013,868 6.348,869 6.803,870 7.238,871 7.438,872 7.68,873 0.889,874 43,875 11.449,877 4.806,878 7.392,879 22.848,881 19.27,883 1.892,884 58.667,887 1,888 341.362,889 140.362,890 58.259,895 140.362,896 341.362,897 58.259,898 8.396,899 16.026,900 84.857,901 74.105,902 36.634,903 13.915,904 306.049,906 341.362,907 198.622,911 270.735,912 70.627,915 58.197,916 107.099,917 33.326,919 341.362,920 58.259,921 140.362,924 341.362,925 29.871,926 118.639,927 16.786,928 33.326,929 341.362,930 58.259,931 140.362,933 0.575,934 0.336,935 0.187,936 0.089,937 24,938 9,939 0.123,940 8,941 1,942 1.08,943 4.468,944 278.244,945 0.08,946 25,947 145.58,951 20.289,952 9.25,953 4.68,954 2.482,955 39.575,956 22.915,957 7.86,958 3.44,961 3.866,962 1.954,963 16.786,964 539.984,965 45.5,975 60.214,976 68.972,977 0.229,978 0.58,979 0.809,980 0.902,981 0.909,982 0.909,983 5.064,984 1.476,985 5.927,986 4.655,987 4.575,988 5.106,989 1.242,990 6.708,991 4.498,992 6.238,993 1.369,994 7.459,995 3.867,996 4.007,997 4.732,998 0.57,999 7.526,1000 3.878,1001 7.52,1002 1.234,1003 9.091,1004 3.37,1005 6.133,1006 7.271,1007 0.883,1008 10.63,1009 5.981,1010 8.842,1011 1.111,1012 10.786,1013 2.978,1014 6.463,1015 7.854,1016 0.581,1017 12.327,1018 6.258,1019 10.2,1020 1,1021 12.521,1022 2.491,1023 7.978,1024 9.779,1025 0.68,1026 14.902,1027 7.755,1028 11.585,1029 0.939,1030 14.285,1031 2.167,1032 8.717,1033 10.824,1034 0.515,1035 16.95,1036 8.45,1037 12.99,1038 0.705,1039 16.07,1040 2.136,1041 9.986,1042 12.496,1043 0.541,1044 19.349,1045 9.7,1046 3.121,1047 0.618,1048 17.869,1049 1.698,1050 10.917,1051 13.775,1052 0.441,1053 21.546,1054 10.596,1055 2.899,1056 10.434,1057 19.68,1058 1.372,1059 12.084,1060 15.34,1061 0.438,1062 23.885,1063 11.744,1064 2.749,1065 9.176,1066 21.499,1067 4.518,1068 13.106,1069 16.733,1070 0.373,1071 26.146,1072 12.739,1073 2.588,1074 8.881,1075 23.325,1076 3.732,1077 14.233,1078 18.256,1079 0.358,1080 28.468,1081 13.848,1082 2.109,1083 7.363,1084 25.157,1085 3.455,1086 15.299,1087 19.705,1088 0.314,1089 30.761,1090 14.891,1091 2.008,1092 6.027,1093 26.993,1094 2.905,1095 16.413,1096 21.213,1097 0.296,1098 33.08,1099 15.988,1100 1.776,1101 5.547,1102 28.834,1103 2.792,1104 17.501,1105 22.69,1106 0.264,1107 35.389,1108 17.058,1109 13956,1110 20566,1111 24.444,1112 40.171,1113 52.679,1114 51.86,1115 52.37,1116 52.083,1117 52.08,1118 67.44,1119 3.778,1120 145.996,1121 50.095,1122 5.534,1123 5.22,1124 6.368,1125 5.161,1126 5.121,1127 7.518,1128 1.605,1129 17.113,1130 5.063,1131 7.277,1132 1.505,1133 1.482,1134 1.496,1135 1.488,1136 1.488,1137 1.927,1138 0.108,1139 4.171,1140 1.431,1141 4.155,1142 4.194,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.946,1148 3.997,1149 3.86,1150 3.86,1151 4.927,1152 3.854,1153 3.864,1154 3.92,1155 3.794,1156 3.724,1157 4.756,1158 3.724,1159 3.817,1160 3.887,1161 3.743,1162 3.576,1163 4.386,1164 3.617,1165 3.505,1166 3.59,1167 3.361,1168 3.306,1169 4.253,1170 3.309,1171 3.408,1172 3.473,1173 3.28,1174 3.261,1175 4.134,1176 3.258,1177 3.204,1178 3.287,1179 3.059,1180 3.002,1181 3.848,1182 3.006,1183 3.011,1184 3.095,1185 2.822,1186 2.876,1187 3.674,1188 2.854,1189 0.131,1190 0.092,1191 0.188,1192 0.117,1193 0.089,1194 4.569,1195 0.129,1196 3.22,1197 0.026,1198 6.566,1199 0.298,1200 4.101,1201 0.088,1202 3.121,1203 4.518,1204 0.916,1205 10.434,1206 3.063,1207 1.959,1208 1.935,1209 2.051,1210 2.053,1211 1.314,1212 2.05,1213 1.916,1214 1.884,1215 2.038,1216 2.019,1217 1.255,1218 2.031,1219 1.712,1220 1.65,1221 1.909,1222 1.901,1223 1.166,1224 1.908,1225 1.634,1226 1.572,1227 1.87,1228 1.812,1229 1.122,1230 1.835,1231 1.499,1232 1.427,1233 1.745,1234 1.712,1235 0.967,1236 1.726,1237 1.397,1238 1.326,1239 1.603,1240 1.648,1241 0.773,1242 1.637,1243 1.33,1244 1.253,1245 1.514,1246 1.557,1247 0.586,1248 1.56,1249 1.078,1250 0.983,1251 1.374,1252 1.442,1253 0.521,1254 1.379,1255 4.263,1257 5.572,1258 3.434,1259 7.059,1260 5.687,1261 8.627,1262 7.678,1263 10.242,1265 2.246,1271 8.108,1275 0.645,1276 5.152,1280 37.45,1281 82.962,1282 209.908,1283 292.755,1284 326.265,1285 329.02,1286 329.02,1287 36.4,1288 8.132,1289 52.98,1290 52.98,1291 27,1292 12.616,1293 4.459,1294 3.524,1295 43.794,1296 146,1297 142,1298 0.143,1299 228.031,1300 377.9,1301 548.156,1302 46781,1304 21.045,1305 0.679,1306 0.584,1307 21.045,1308 18.114,1309 15.259,1310 0.436,1311 0.319,1312 11.037,1313 14.745,1314 10.765,1315 8.933,1316 15.259,1317 11.176,1318 13.488,1319 0.281,1320 0.181,1321 13.488,1322 8.677,1323 11.559,1324 0.181,1325 0.101,1326 11.559,1327 6.453,1328 9.933,1329 0.118,1330 0.058,1331 9.933,1332 4.848,1333 7.158,1334 0.076,1335 0.033,1336 7.158,1337 3.083,1338 0.231,1339 94.856,1340 0.202,1341 29.622,1342 0.378,1343 166,1344 378.558,1345 177.185,1346 378.075,1347 534.77,1348 358,1349 195,1350 409.476,1351 208.322,1352 420.437,1353 607.8,1354 394,1355 8.523} {0 CHEMBL159733,1 1.348,2 14.75,3 3.89,4 15.128,5 133.026,6 6.697,7 0.583,8 4.244,9 4.388,10 3.743,11 3.774,12 5.209,13 3.733,14 4.818,15 5.029,16 4.065,17 4.199,18 5.678,19 4.128,20 5.055,21 5.289,22 3.983,23 4.341,24 5.803,25 4.195,26 5.208,27 5.505,28 3.94,29 4.33,30 5.868,31 4.16,32 5.106,33 5.38,34 3.936,35 4.293,36 5.814,37 4.135,38 5.14,39 5.428,40 3.915,41 4.289,42 5.829,43 4.126,44 5.066,45 5.347,46 3.886,47 4.231,48 5.774,49 4.075,50 5.017,51 5.305,52 3.77,53 4.152,54 5.722,55 3.985,56 0.094,57 0.999,58 14.958,59 5.694,60 12.166,61 8.383,62 0.298,63 1.633,64 27.853,65 9.258,66 22.831,67 14.113,68 0.215,69 1.894,70 35.056,71 13.416,72 23.767,73 19.902,74 0.351,75 2.016,76 42.261,77 14.879,78 32.73,79 22.688,80 0.277,81 1.886,82 37.63,83 13.819,84 28.977,85 20.795,86 0.323,87 1.917,88 39.324,89 13.904,90 30.54,91 21.154,92 0.289,93 1.802,94 36.364,95 12.916,96 28.673,97 19.63,98 0.326,99 1.694,100 34.844,101 12.133,102 29.489,103 18.489,104 2,105 49,106 0.214,107 0.543,108 0.759,109 0.858,110 0.882,111 0.882,112 3.502,113 0.966,114 -5.08,115 -4.97,116 -4.66,119 40.6,121 2,122 1,124 1,125 6,140 8,141 4,146 1,149 1,150 1,158 1,164 1,169 13,171 2,172 6,176 3,178 12,182 7,186 3,189 8,192 1,193 8,197 1,199 6,203 7,206 1,211 6,215 8,218 1,222 6,226 6,229 1,231 2,233 5,236 1,237 4,240 1,244 6,248 1,249 2,252 1,256 5,259 1880,260 22.187,261 22.187,262 22.187,263 22.187,264 22.187,265 19.685,266 26.931,267 13.389,268 22.613,269 17.864,270 17.864,271 17.864,272 17.864,273 17.864,274 14.213,275 37.351,276 6.483,277 18.543,278 4.652,279 2.582,280 1.223,281 0.598,282 0.449,283 0.449,284 4.213,289 1,290 1052,291 3.464,294 265.699,295 212.952,298 143.144,302 2.328,303 12.382,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67,315 472,316 4.552,317 3.19,318 6.548,319 4.084,320 3.097,321 4.504,322 0.916,323 10.366,324 3.057,325 3.979,326 3.027,327 5.705,328 3.742,329 2.785,330 3.522,331 0.8,332 8.059,333 2.67,334 3.936,335 2.885,336 5.566,337 3.581,338 2.627,339 3.455,340 0.522,341 7.641,342 2.526,343 3.755,344 2.826,345 5.462,346 3.552,347 2.581,348 3.058,349 0.172,350 7.333,351 2.5,352 3.609,353 2.414,354 5.164,355 3.197,356 2.23,357 2.775,359 6.289,360 2.151,361 3.352,362 2.312,363 5.02,364 3.104,365 2.154,366 2.656,368 6.045,369 2.032,370 3.25,371 2.08,372 4.986,373 2.904,374 1.932,375 2.329,377 5.76,378 1.872,379 2.91,380 1.88,381 4.54,382 2.686,383 1.727,384 2.017,386 4.718,387 1.652,388 2.745,389 1.487,390 4.144,391 2.371,392 1.383,393 1.845,395 3.476,396 1.364,397 2.663,398 1.332,399 3.569,400 2.248,401 1.28,402 1.685,404 2.987,405 1.239,406 2.579,407 1.226,408 3.443,409 2.08,410 1.157,411 1.609,413 2.571,414 1.066,415 2.5,416 1,417 3.329,418 2,419 1,420 1.5,422 2.136,423 1,424 2.213,425 0.951,426 3.267,427 1.83,428 0.868,429 1.113,431 2.019,432 0.833,433 2.118,434 0.824,435 3.247,436 1.693,437 0.722,438 0.927,440 1.725,441 0.699,442 1.795,443 0.618,444 3.074,445 1.532,446 0.618,447 0.766,449 1.372,450 0.564,451 15.4,452 0.481,453 0.619,454 0.019,455 39.25,456 1.227,457 18,458 0.563,459 21.25,460 0.664,461 29.01,462 0.907,463 34.4,464 0.538,465 26.959,466 0.842,467 7.698,468 0.241,469 8.027,470 0.251,471 0.032,473 0.273,479 0.902,480 1.437,481 0.88,482 1.159,483 0.748,484 1.041,485 1.452,486 0.972,487 1.051,488 0.89,489 0.923,490 0.924,491 0.909,492 1.232,493 1.172,494 1.282,495 0.876,496 1.258,497 0.878,498 0.895,499 0.914,500 0.916,501 0.718,502 0.918,503 0.793,504 1.046,505 0.97,506 1.062,507 0.773,508 1.038,509 0.906,510 0.95,511 0.957,512 0.969,513 0.879,514 0.968,515 0.88,516 1.01,517 0.953,518 1.004,519 0.851,520 0.989,521 0.947,522 0.935,523 1.003,524 0.985,525 0.978,526 0.997,527 6,528 0.111,529 2.222,530 1.958,531 1.044,532 0.726,533 0.556,534 0.31,535 0.188,536 0.149,537 17723,538 37125,539 2.194,540 50,542 23,543 1,544 2,545 1,547 4,548 1,550 1.739,551 2.133,552 3.827,553 -0.403,559 86.279,560 1.348,561 3.418,562 4.777,563 5.402,564 5.551,565 5.551,566 3.296,567 4.313,568 4.97,569 4.027,570 1997.29,571 8.662,572 31287.8,574 1,577 384,578 1.043,579 4.964,580 0.167,581 0.004,582 0.045,583 0.047,584 0.026,585 0.018,586 0.014,587 0.008,588 0.006,589 0.006,590 0.341,591 0.33,592 0.88,593 0.313,594 172.763,595 0.15,596 -0.2,597 0.091,598 -0.076,599 0.189,600 -0.012,601 -0.129,602 0.192,603 -0.046,604 0.101,605 0.026,606 0.046,607 -0.099,608 -0.201,609 -0.214,610 -0.241,611 -0.101,612 -0.239,613 0.022,614 0.03,615 0.067,616 0.061,617 0.091,618 0.068,619 0.044,620 -0.087,621 0.001,622 -0.057,623 0.053,624 -0.037,625 0.007,626 -0.004,627 0.023,628 0.014,629 -0.012,630 0.019,631 0.032,632 -0.053,633 0.026,634 -0.016,635 0.031,636 0.001,637 0.026,638 0.018,639 -0.018,640 -0.013,641 -0.03,642 -0.018,643 0.745,644 1.229,645 0.781,646 40.031,647 0.986,648 1.131,649 3.847,650 14.802,651 0.655,652 3.611,653 3.912,654 4.159,655 4.431,656 4.533,657 4.605,658 4.771,659 4.92,660 4.984,661 5.1,662 8.59,663 0.609,664 428.64,665 3.611,666 5.142,667 5.979,668 6.843,669 7.692,670 8.56,671 9.416,672 10.287,673 11.148,674 12.02,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 2,745 16,746 10,747 1,764 32,765 4,766 1,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,815 2,819 4,823 1,827 32,833 8,837 1,838 2,844 1,854 15,855 11.5,856 6.972,857 3.891,858 3.529,859 1.431,860 1.01,861 6.562,862 11.719,863 3.861,864 4.431,865 4.982,866 5.558,867 5.942,868 6.187,869 6.613,870 7.035,871 7.173,872 7.503,873 0.9,874 42,875 11.832,877 4.948,878 7.38,879 23.665,881 19.92,883 1.88,884 60.167,888 364.904,889 142.468,890 58.259,895 142.468,896 364.904,897 58.259,898 8.396,899 17.703,900 84.857,901 65.609,902 45.559,903 13.915,904 329.591,906 364.904,907 200.727,911 306.049,912 58.856,915 59.751,916 107.528,917 33.449,919 364.904,920 58.259,921 142.468,924 364.904,925 31.977,926 118.516,927 16.786,928 33.449,929 364.904,930 58.259,931 142.468,933 0.574,934 0.325,935 0.181,936 0.087,937 24,938 9,939 0.132,940 9,941 1,942 1.08,943 4.648,944 282.8,945 0.08,946 25,947 154,951 21.234,952 9.888,953 5.423,954 2.546,955 39.697,956 22.966,957 8.272,958 3.448,961 4.059,962 1.868,963 16.786,964 565.632,965 46.5,975 63.098,976 72.387,977 0.225,978 0.57,979 0.796,980 0.9,981 0.925,982 0.925,983 5.083,984 1.727,985 5.932,986 5.76,987 4.595,988 5.118,989 1.388,990 6.683,991 4.526,992 6.252,993 1.383,994 7.442,995 4.718,996 4.007,997 4.732,998 0.57,999 7.402,1000 3.912,1001 7.526,1002 1.28,1003 9.046,1004 3.476,1005 6.129,1006 7.261,1007 0.942,1008 10.492,1009 6.002,1010 8.836,1011 1.157,1012 10.707,1013 2.987,1014 6.399,1015 7.81,1016 0.581,1017 12.088,1018 6.25,1019 10.181,1020 1,1021 12.405,1022 2.571,1023 7.922,1024 9.741,1025 0.7,1026 14.656,1027 7.749,1028 11.55,1029 0.868,1030 14.132,1031 2.136,1032 8.6,1033 10.76,1034 0.515,1035 16.649,1036 8.41,1037 12.941,1038 0.722,1039 15.88,1040 2.019,1041 9.872,1042 12.438,1043 0.547,1044 19.045,1045 9.663,1046 3.097,1047 0.618,1048 17.645,1049 1.725,1050 10.758,1051 13.702,1052 0.441,1053 21.224,1054 10.535,1055 2.785,1056 10.366,1057 19.425,1058 1.372,1059 11.922,1060 15.271,1061 0.44,1062 23.567,1063 11.684,1064 2.627,1065 8.059,1066 21.218,1067 4.504,1068 12.913,1069 16.659,1070 0.373,1071 25.831,1072 12.665,1073 2.581,1074 7.641,1075 23.021,1076 3.522,1077 14.034,1078 18.184,1079 0.359,1080 28.162,1081 13.774,1082 2.23,1083 7.333,1084 24.835,1085 3.455,1086 15.081,1087 19.631,1088 0.314,1089 30.464,1090 14.811,1091 2.154,1092 6.289,1093 26.656,1094 3.058,1095 16.187,1096 21.14,1097 0.296,1098 32.794,1099 15.908,1100 1.932,1101 6.045,1102 28.486,1103 2.775,1104 17.263,1105 22.617,1106 0.264,1107 35.115,1108 16.975,1109 16208,1110 23646,1111 25.137,1112 41.932,1113 53.713,1114 52.964,1115 53.18,1116 53.125,1117 53.134,1118 68.458,1119 4.821,1120 147.01,1121 51.239,1122 5.515,1123 5.19,1124 6.35,1125 5.136,1126 5.097,1127 7.504,1128 1.605,1129 17.034,1130 5.057,1131 7.583,1132 1.492,1133 1.471,1134 1.477,1135 1.476,1136 1.476,1137 1.902,1138 0.134,1139 4.084,1140 1.423,1141 4.147,1142 4.184,1143 4.102,1144 4.063,1145 5.09,1146 4.068,1147 3.946,1148 3.996,1149 3.859,1150 3.861,1151 4.946,1152 3.855,1153 3.868,1154 3.944,1155 3.815,1156 3.728,1157 4.756,1158 3.726,1159 3.847,1160 3.904,1161 3.748,1162 3.591,1163 4.381,1164 3.634,1165 3.537,1166 3.614,1167 3.414,1168 3.38,1169 4.28,1170 3.383,1171 3.448,1172 3.514,1173 3.33,1174 3.26,1175 4.149,1176 3.267,1177 3.264,1178 3.348,1179 3.102,1180 3.08,1181 3.852,1182 3.077,1183 2.991,1184 3.069,1185 2.833,1186 2.855,1187 3.686,1188 2.839,1189 0.126,1190 0.089,1191 0.182,1192 0.113,1193 0.086,1194 4.552,1195 0.125,1196 3.19,1197 0.025,1198 6.548,1199 0.288,1200 4.084,1201 0.085,1202 3.097,1203 4.504,1204 0.916,1205 10.366,1206 3.057,1207 1.966,1208 1.943,1209 2.057,1210 2.051,1211 1.336,1212 2.054,1213 1.917,1214 1.884,1215 2.052,1216 2.019,1217 1.285,1218 2.032,1219 1.704,1220 1.644,1221 1.92,1222 1.885,1223 1.154,1224 1.895,1225 1.675,1226 1.615,1227 1.88,1228 1.854,1229 1.146,1230 1.873,1231 1.466,1232 1.388,1233 1.689,1234 1.748,1235 0.919,1236 1.716,1237 1.43,1238 1.357,1239 1.633,1240 1.652,1241 0.807,1242 1.661,1243 1.359,1244 1.276,1245 1.606,1246 1.595,1247 0.767,1248 1.614,1249 1.212,1250 1.133,1251 1.394,1252 1.494,1253 0.531,1254 1.464,1255 4.29,1257 5.595,1258 3.434,1259 7.066,1260 5.687,1261 8.614,1262 7.67,1263 10.208,1265 2.249,1271 8.884,1275 0.765,1276 5.11,1280 38.977,1281 86.279,1282 218.753,1283 305.735,1284 345.735,1285 355.245,1286 355.245,1287 38.762,1288 8.19,1289 52.98,1290 52.98,1291 27,1292 12.564,1293 4.459,1294 3.524,1295 46.041,1296 167,1297 158,1298 0.131,1299 237.624,1300 395.2,1301 571.561,1302 51200,1304 21.753,1305 0.68,1306 0.588,1307 21.753,1308 18.821,1309 15.725,1310 0.437,1311 0.322,1312 11.445,1313 15.211,1314 11.137,1315 9.252,1316 15.725,1317 11.589,1318 14.03,1319 0.286,1320 0.187,1321 14.03,1322 9.175,1323 11.604,1324 0.184,1325 0.104,1326 11.604,1327 6.576,1328 9.989,1329 0.12,1330 0.06,1331 9.989,1332 4.976,1333 7.202,1334 0.078,1335 0.035,1336 7.202,1337 3.2,1338 0.215,1339 97.683,1340 0.199,1341 30.807,1342 0.337,1343 170,1344 382.558,1345 180.852,1346 382.371,1347 536.63,1348 362,1349 197,1350 403.42,1351 210.156,1352 417.016,1353 600.7,1354 389,1355 7.959} {0 CHEMBL159759,1 1.36,2 14.097,3 3.328,4 11.076,5 127.592,6 6.797,7 0.6,8 4.202,9 4.345,10 3.711,11 3.738,12 5.188,13 3.7,14 4.766,15 4.966,16 4.045,17 4.169,18 5.644,19 4.099,20 5.032,21 5.276,22 3.986,23 4.304,24 5.797,25 4.169,26 5.125,27 5.401,28 3.925,29 4.298,30 5.857,31 4.136,32 5.114,33 5.411,34 3.866,35 4.236,36 5.793,37 4.068,38 5.005,39 5.28,40 3.871,41 4.192,42 5.716,43 4.046,44 5.016,45 5.294,46 3.829,47 4.171,48 5.747,49 4.014,50 4.96,51 5.255,52 3.63,53 4.061,54 5.639,55 3.88,56 0.092,57 0.958,58 14.069,59 5.379,60 12.99,61 7.857,62 0.249,63 1.565,64 25.88,65 9.093,66 21.364,67 13.586,68 0.24,69 1.844,70 34.397,71 12.71,72 25.862,73 18.975,74 0.299,75 1.923,76 38.518,77 13.905,78 33.866,79 20.966,80 0.336,81 1.844,82 38.597,83 13.718,84 32.647,85 20.784,86 0.25,87 1.716,88 34.13,89 12.117,90 25.622,91 18.39,92 0.342,93 1.732,94 34.72,95 12.103,96 30.25,97 18.341,98 0.262,99 1.57,100 33.072,101 11.44,102 28.155,103 17.527,104 2,105 48,106 0.218,107 0.563,108 0.768,109 0.863,110 0.87,111 0.87,112 3.471,113 0.962,114 -5.14,115 -5.04,116 -4.71,119 41,120 1,121 2,122 1,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 6,178 11,182 3,186 6,189 9,193 6,195 1,197 2,199 8,203 6,206 2,208 1,211 8,215 5,220 1,222 6,225 1,226 5,229 2,231 3,233 5,237 2,242 1,244 5,248 2,249 3,253 1,254 1,256 6,259 1681,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.17,266 25.322,267 12.905,268 21.979,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.754,275 30.628,276 6.17,277 17.95,278 4.571,279 2.419,280 1.14,281 0.549,282 0.504,283 0.504,284 4.183,288 1,289 1,290 978,291 3.317,294 251.189,295 203.782,298 136.461,302 2.229,303 12.421,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 437,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 3.097,327 6.096,328 3.787,329 2.81,330 3.732,331 0.657,332 8.885,333 2.752,334 4.048,335 2.956,336 6.02,337 3.7,338 2.758,339 3.538,341 8.551,342 2.614,343 3.737,344 2.865,345 5.644,346 3.657,347 2.699,348 2.828,350 7.868,351 2.568,352 3.426,353 2.255,354 5.139,355 3.073,356 2.103,357 2.722,359 6.09,360 2.038,361 3.251,362 2.097,363 4.884,364 2.894,365 1.932,366 2.587,368 5.593,369 1.852,370 3.164,371 1.852,372 4.514,373 2.749,374 1.781,375 2.333,377 4.654,378 1.725,379 2.955,380 1.79,381 4.278,382 2.714,383 1.747,384 1.994,386 4.157,387 1.679,388 2.725,389 1.328,390 4.121,391 2.252,392 1.275,393 1.822,395 3.424,396 1.244,397 2.5,398 1.272,399 3.5,400 2.133,401 1.159,402 1.5,404 2.674,405 1.126,406 2.453,407 1.024,408 3.368,409 2,410 1,411 1.443,413 2.211,414 1,415 2.396,416 1,417 3.299,418 1.927,419 0.966,420 1.353,422 2.136,423 0.926,424 2.14,425 0.888,426 3.247,427 1.791,428 0.819,429 1.014,431 1.933,432 0.794,433 2.118,434 0.756,435 3.234,436 1.647,437 0.685,438 0.927,440 1.657,441 0.658,442 1.827,443 0.618,444 3.075,445 1.518,446 0.618,447 0.782,449 1.372,450 0.556,451 14.9,452 0.481,453 0.585,454 0.019,455 38.5,456 1.242,457 18,458 0.581,459 20.5,460 0.661,461 27.841,462 0.898,463 33.1,464 0.543,465 25.904,466 0.836,467 7.395,468 0.239,469 7.864,470 0.254,471 0.034,473 0.289,479 0.936,480 1.361,481 0.873,482 1.106,483 0.77,484 1.003,485 1.215,486 1.069,487 1.019,488 0.984,489 0.845,490 0.981,491 0.978,492 1.101,493 1.084,494 1.126,495 0.779,496 1.117,497 0.86,498 1.041,499 1.015,500 1.077,501 0.836,502 1.064,503 0.768,504 0.897,505 0.889,506 0.931,507 0.801,508 0.924,509 0.912,510 1.019,511 0.942,512 0.991,513 0.813,514 0.973,515 0.914,516 0.984,517 1.026,518 1.039,519 0.902,520 1.043,521 0.964,522 0.996,523 1.013,524 1.019,525 1.048,526 1.021,527 5,528 0.121,529 3.333,530 1.389,531 1.064,532 0.788,533 0.505,534 0.233,535 0.213,536 0.1,537 16172,538 34400,539 2.2,540 49.2,542 17,543 1,544 2,545 2,547 7,548 1,550 1.73,551 2.138,552 3.765,553 0.161,555 1,559 82.962,560 1.36,561 3.512,562 4.791,563 5.381,564 5.427,565 5.427,566 3.244,567 4.632,568 4.926,569 3.967,570 1844.67,571 8.569,572 28053.9,574 1,577 361.775,578 1.058,579 4.918,580 0.143,581 0.005,582 0.069,583 0.032,584 0.027,585 0.021,586 0.013,587 0.007,588 0.008,589 0.004,590 0.33,591 0.17,592 0.88,593 0.32,594 165.348,595 0.108,596 -0.132,597 0.081,598 -0.037,599 0.17,600 0.01,601 -0.05,602 0.081,603 -0.04,604 0.026,605 0.046,606 -0.001,607 -0.104,608 -0.086,609 -0.12,610 -0.107,611 0.012,612 -0.114,613 0.006,614 -0.088,615 -0.042,616 -0.08,617 0.019,618 -0.068,619 0.101,620 0.017,621 0.093,622 0.051,623 0.072,624 0.068,625 -0.018,626 -0.061,627 0.036,628 0.002,629 0.014,630 0.021,631 0.072,632 -0.017,633 -0.04,634 -0.063,635 -0.003,636 -0.063,637 -0.051,638 -0.075,639 -0.029,640 -0.046,641 -0.108,642 -0.037,643 0.929,644 1.231,645 0.806,646 36.262,647 0.987,648 1.131,649 3.911,650 15.296,651 0.659,652 3.584,653 3.892,654 4.174,655 4.419,656 4.543,657 4.635,658 4.787,659 4.934,660 4.99,661 5.056,662 8.305,663 0.614,664 414.61,665 3.584,666 5.118,667 5.969,668 6.834,669 7.698,670 8.567,671 9.436,672 10.309,673 11.182,674 12.058,675 9.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 35,720 65,721 25,722 16,723 4,724 8,730 5,731 6,736 1,740 1,741 1,743 3,745 16,746 9,747 1,761 1,764 30,765 4,766 2,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,823 1,827 31,833 6,834 1,837 2,838 1,844 1,854 14.5,855 10.883,856 6.778,857 3.816,858 3.556,859 1.437,860 1.013,861 6.054,862 11.689,863 3.839,864 4.419,865 5.016,866 5.594,867 6.016,868 6.348,869 6.8,870 7.217,871 7.419,872 7.658,873 1,874 43,875 11.451,877 4.827,878 7.403,879 22.823,881 19.335,883 1.903,884 59,887 1,888 329.591,889 138.257,890 73.146,895 138.257,896 329.591,897 73.146,898 8.825,899 13.492,900 102.868,901 74.105,902 33.51,903 13.915,904 294.278,906 329.591,907 211.402,911 235.422,912 94.169,915 79.374,916 98.702,917 33.326,919 329.591,920 73.146,921 138.257,924 329.591,925 27.337,926 115.943,927 34.796,928 33.326,929 329.591,930 73.146,931 138.257,933 0.577,934 0.339,935 0.182,936 0.087,937 24,938 9,939 0.123,940 8,941 1,942 1.08,943 4.532,944 273.831,945 0.08,946 25,947 145.58,951 20.289,952 9.25,953 4.68,954 2.477,955 54.461,956 22.825,957 7.842,958 3.424,961 3.838,962 1.949,963 34.796,964 540.993,965 45.5,975 60.214,976 68.972,977 0.229,978 0.592,979 0.808,980 0.907,981 0.915,982 0.915,983 5.064,984 1.747,985 5.927,986 4.654,987 4.575,988 5.106,989 1.038,990 6.703,991 4.506,992 6.238,993 1.275,994 7.459,995 4.157,996 4.007,997 4.732,998 0.325,999 7.516,1000 3.911,1001 7.52,1002 1.159,1003 9.09,1004 3.424,1005 6.133,1006 7.274,1007 0.607,1008 10.606,1009 6.003,1010 8.842,1011 1,1012 10.783,1013 2.674,1014 6.463,1015 7.862,1016 0.268,1017 12.292,1018 6.304,1019 10.202,1020 0.966,1021 12.515,1022 2.211,1023 7.974,1024 9.786,1025 0.359,1026 14.855,1027 7.789,1028 11.587,1029 0.819,1030 14.276,1031 2.136,1032 8.708,1033 10.836,1034 0.188,1035 16.893,1036 8.497,1037 12.994,1038 0.685,1039 16.056,1040 1.933,1041 9.973,1042 12.506,1043 0.214,1044 19.284,1045 9.741,1046 3.119,1047 0.618,1048 17.85,1049 1.657,1050 10.898,1051 13.787,1052 0.125,1053 21.474,1054 10.643,1055 2.81,1056 10.433,1057 19.655,1058 1.372,1059 12.061,1060 15.351,1061 0.129,1062 23.809,1063 11.788,1064 2.758,1065 8.885,1066 21.469,1067 4.518,1068 13.077,1069 16.744,1070 0.082,1071 26.068,1072 12.785,1073 2.699,1074 8.551,1075 23.291,1076 3.732,1077 14.2,1078 18.265,1079 0.079,1080 28.389,1081 13.891,1082 2.103,1083 7.868,1084 25.118,1085 3.538,1086 15.261,1087 19.714,1088 0.054,1089 30.683,1090 14.934,1091 1.932,1092 6.09,1093 26.95,1094 2.828,1095 16.371,1096 21.22,1097 0.048,1098 33.004,1099 16.028,1100 1.781,1101 5.593,1102 28.786,1103 2.722,1104 17.455,1105 22.696,1106 0.035,1107 35.317,1108 17.097,1109 14758,1110 21733,1111 24.444,1112 40.171,1113 52.536,1114 52.293,1115 52.427,1116 52.311,1117 52.352,1118 67.747,1119 2.915,1120 146.673,1121 50.542,1122 5.533,1123 5.202,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1131 7.488,1132 1.501,1133 1.494,1134 1.498,1135 1.495,1136 1.496,1137 1.936,1138 0.083,1139 4.191,1140 1.444,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.951,1148 3.999,1149 3.867,1150 3.872,1151 4.928,1152 3.866,1153 3.865,1154 3.923,1155 3.793,1156 3.726,1157 4.763,1158 3.724,1159 3.818,1160 3.888,1161 3.741,1162 3.577,1163 4.392,1164 3.618,1165 3.505,1166 3.583,1167 3.365,1168 3.33,1169 4.257,1170 3.33,1171 3.4,1172 3.466,1173 3.27,1174 3.263,1175 4.174,1176 3.255,1177 3.221,1178 3.302,1179 3.079,1180 3.028,1181 3.858,1182 3.031,1183 3.062,1184 3.164,1185 2.858,1186 2.856,1187 3.699,1188 2.843,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.569,1195 0.129,1196 3.202,1197 0.023,1198 6.566,1199 0.298,1200 4.1,1201 0.087,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.061,1210 2.052,1211 1.325,1212 2.049,1213 1.926,1214 1.895,1215 2.039,1216 2.025,1217 1.268,1218 2.039,1219 1.695,1220 1.635,1221 1.912,1222 1.883,1223 1.178,1224 1.89,1225 1.671,1226 1.611,1227 1.876,1228 1.842,1229 1.115,1230 1.865,1231 1.448,1232 1.373,1233 1.717,1234 1.693,1235 0.9,1236 1.682,1237 1.416,1238 1.343,1239 1.643,1240 1.624,1241 0.829,1242 1.652,1243 1.372,1244 1.306,1245 1.517,1246 1.586,1247 0.588,1248 1.581,1249 1.078,1250 0.982,1251 1.381,1252 1.442,1253 0.546,1254 1.379,1255 4.263,1257 5.572,1258 3.434,1259 7.059,1260 5.687,1261 8.625,1262 7.678,1263 10.236,1265 2.257,1271 6.909,1272 3.731,1275 1.135,1276 2.613,1280 37.45,1281 82.962,1282 214.234,1283 292.265,1284 328.265,1285 331.02,1286 331.02,1287 37.622,1288 8.132,1289 61.77,1290 61.77,1291 27,1292 12.597,1293 4.459,1294 3.524,1295 43.989,1296 157,1297 146,1298 0.134,1299 228.031,1300 377.9,1301 548.156,1302 46914,1304 21.045,1305 0.679,1306 0.582,1307 21.045,1308 18.037,1309 15.259,1310 0.436,1311 0.321,1312 11.091,1313 14.779,1314 10.83,1315 8.981,1316 15.259,1317 11.218,1318 13.454,1319 0.28,1320 0.18,1321 13.454,1322 8.659,1323 11.749,1324 0.184,1325 0.102,1326 11.749,1327 6.548,1328 9.686,1329 0.118,1330 0.056,1331 9.686,1332 4.632,1333 7.129,1334 0.077,1335 0.033,1336 7.129,1337 3.05,1338 0.219,1339 94.65,1340 0.202,1341 29.93,1342 0.344,1343 166,1344 373.246,1345 176.824,1346 373.508,1347 530.13,1348 354,1349 195,1350 407.772,1351 207.462,1352 417.079,1353 604.21,1354 393,1355 9.274} {0 CHEMBL159819,1 1.373,2 14.067,3 2.951,4 8.706,5 123.174,6 6.907,7 0.618,8 4.158,9 4.3,10 3.682,11 3.695,12 5.152,13 3.661,14 4.716,15 4.914,16 4.003,17 4.125,18 5.604,19 4.057,20 4.971,21 5.214,22 3.921,23 4.243,24 5.733,25 4.106,26 5.054,27 5.337,28 3.847,29 4.203,30 5.775,31 4.043,32 4.99,33 5.282,34 3.783,35 4.117,36 5.682,37 3.959,38 4.885,39 5.16,40 3.803,41 4.082,42 5.605,43 3.95,44 4.876,45 5.133,46 3.791,47 4.088,48 5.652,49 3.948,50 4.9,51 5.193,52 3.593,53 4.006,54 5.59,55 3.831,56 0.086,57 0.92,58 13.163,59 5.041,60 11.746,61 7.316,62 0.245,63 1.496,64 24.299,65 8.51,66 20.041,67 12.626,68 0.208,69 1.735,70 32.143,71 12.108,72 22.922,73 17.937,74 0.295,75 1.78,76 36.157,77 12.765,78 31.346,79 19.323,80 0.313,81 1.652,82 34.17,83 11.903,84 28.193,85 18.068,86 0.24,87 1.538,88 30.337,89 10.516,90 22.601,91 15.987,92 0.287,93 1.563,94 29.718,95 10.613,96 26.091,97 15.875,98 0.252,99 1.492,100 31.22,101 10.717,102 26.86,103 16.39,105 46,106 0.222,107 0.567,108 0.762,109 0.862,110 0.87,111 0.87,112 3.44,113 0.95,114 -4.93,115 -4.84,116 -4.54,119 41.4,121 2,122 1,125 5,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 5,178 10,182 3,186 6,189 7,193 6,195 1,197 2,199 5,203 6,206 2,208 1,211 6,215 4,220 1,222 6,225 1,226 5,229 2,231 3,233 5,237 2,242 1,244 4,248 2,249 3,253 1,254 1,256 5,259 1572,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 24.36,267 12.752,268 21.473,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.27,275 28.18,276 6.124,277 17.479,278 4.485,279 2.356,280 1.151,281 0.53,282 0.483,283 0.483,284 4.155,288 1,289 1,290 949,291 3,294 240.281,295 195.52,298 130.287,302 2.271,303 11.535,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 422,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.969,327 6.096,328 3.713,329 2.768,330 3.732,331 0.657,332 8.885,333 2.631,334 3.899,335 2.868,336 5.647,337 3.671,338 2.723,339 3.444,341 7.88,342 2.571,343 3.737,344 2.754,345 5.34,346 3.509,347 2.517,348 2.828,350 6.965,351 2.498,352 3.426,353 2.254,354 5.139,355 3.071,356 2.1,357 2.72,359 6.088,360 2.036,361 3.25,362 2.089,363 4.878,364 2.871,365 1.915,366 2.586,368 5.578,369 1.822,370 3.024,371 1.792,372 4.514,373 2.723,374 1.768,375 2.127,377 4.654,378 1.684,379 2.907,380 1.672,381 4.122,382 2.524,383 1.538,384 1.991,386 3.429,387 1.516,388 2.725,389 1.327,390 3.676,391 2.251,392 1.274,393 1.822,395 3.223,396 1.244,397 2.5,398 1.25,399 3.397,400 2.03,401 1.08,402 1.5,404 2.385,405 1.023,406 2.404,407 1.014,408 3.333,409 2,410 1,411 1.363,413 2.172,414 1,415 2.202,416 1,417 3.247,418 1.904,419 0.947,420 1.165,422 2.136,423 0.904,424 2.118,425 0.857,426 3.24,427 1.73,428 0.767,429 0.978,431 1.811,432 0.737,433 2.102,434 0.756,435 3.227,436 1.643,437 0.678,438 0.927,440 1.642,441 0.653,442 1.761,443 0.618,444 3.033,445 1.518,446 0.618,447 0.731,449 1.372,450 0.556,451 14.4,452 0.48,453 0.496,454 0.017,455 38,456 1.267,457 18,458 0.6,459 20,460 0.667,461 25.196,462 0.84,463 31.8,464 0.548,465 25.153,466 0.838,467 7.431,468 0.248,469 7.417,470 0.247,473 0.264,479 0.937,480 1.354,481 0.854,482 1.09,483 0.704,484 0.985,485 1.252,486 1.04,487 1.044,488 0.975,489 0.894,490 0.986,491 0.886,492 1.137,493 1.083,494 1.175,495 0.74,496 1.154,497 0.869,498 1,499 0.975,500 1.023,501 0.797,502 1.012,503 0.823,504 0.909,505 0.902,506 0.932,507 0.817,508 0.926,509 0.98,510 0.955,511 0.908,512 0.91,513 0.81,514 0.903,515 0.884,516 1.069,517 1.073,518 1.132,519 0.965,520 1.124,521 0.982,522 0.999,523 1.024,524 1.024,525 1.075,526 1.028,527 4.5,528 0.092,529 2.667,530 1.139,531 0.864,532 0.694,533 0.408,534 0.201,535 0.213,536 0.08,537 15153,538 32829,539 2.228,540 48.3,542 18,543 1,544 2,545 2,547 4,548 1,550 1.721,551 2.195,552 3.755,553 0.177,555 1,559 79.608,560 1.373,561 3.502,562 4.707,563 5.328,564 5.375,565 5.375,566 3.248,567 4.307,568 4.877,569 3.962,570 1723.51,571 8.469,572 25711.2,574 1,577 339.763,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.028,584 0.024,585 0.02,586 0.011,587 0.006,588 0.008,589 0.003,590 0.296,591 0.17,592 0.88,594 158.685,595 0.101,596 -0.136,597 0.082,598 -0.039,599 0.216,600 0.01,601 -0.089,602 0.108,603 -0.077,604 0.023,605 -0.005,606 -0.017,607 -0.074,608 -0.14,609 -0.128,610 -0.152,611 0.02,612 -0.147,613 0.02,614 -0.066,615 0.006,616 -0.036,617 0.059,618 -0.02,619 0.093,620 0.012,621 0.087,622 0.046,623 0.069,624 0.063,625 -0.038,626 0.004,627 0.076,628 0.075,629 0.033,630 0.086,631 0.079,632 -0.074,633 -0.098,634 -0.142,635 -0.046,636 -0.139,637 -0.06,638 -0.078,639 -0.035,640 -0.05,641 -0.122,642 -0.042,643 0.586,644 1.133,645 0.833,646 36.12,647 0.988,648 1.13,649 3.703,650 13.715,651 0.662,652 3.555,653 3.85,654 4.127,655 4.382,656 4.5,657 4.595,658 4.745,659 4.905,660 4.977,661 5.037,662 8.252,663 0.619,664 400.58,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.379,672 10.25,673 11.12,674 11.995,675 10.3,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 58,716 21,717 2,718 34,720 62,721 24,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 2,745 16,746 8,747 1,761 1,764 28,765 4,766 2,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,827 30,833 7,834 1,837 1,838 1,844 1,854 13.667,855 10.05,856 6.583,857 3.566,858 3.584,859 1.443,860 1.027,861 5.822,862 11.669,863 3.818,864 4.394,865 4.989,866 5.574,867 5.994,868 6.327,869 6.779,870 7.214,871 7.418,872 7.657,873 1,874 40,875 11.076,877 4.668,878 7.406,879 22.066,881 18.653,883 1.906,884 57.167,887 1,888 306.049,889 131.537,890 73.146,895 131.537,896 306.049,897 73.146,899 15.598,900 102.868,901 74.105,902 33.51,903 13.915,904 270.735,906 306.049,907 204.683,911 247.193,912 58.856,915 72.654,916 98.702,917 33.326,919 306.049,920 73.146,921 131.537,924 306.049,925 29.443,926 107.118,927 34.796,928 33.326,929 306.049,930 73.146,931 131.537,933 0.571,934 0.332,935 0.181,936 0.087,937 23,938 8,939 0.129,940 8,941 1,942 1.08,943 4.512,944 259.91,945 0.08,946 25,947 139.207,951 19.347,952 9.028,953 4.606,954 2.479,955 54.461,956 22.754,957 7.832,958 3.419,961 3.835,962 1.948,963 34.796,964 510.732,965 44.5,975 57.33,976 65.557,977 0.234,978 0.598,979 0.804,980 0.909,981 0.918,982 0.918,983 5.032,984 1.538,985 5.872,986 4.654,987 4.533,988 5.081,989 1.038,990 6.632,991 4.464,992 6.2,993 1.274,994 7.388,995 3.429,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.478,1002 1.08,1003 9.004,1004 3.223,1005 6.071,1006 7.251,1007 0.607,1008 10.5,1009 5.939,1010 8.796,1011 1,1012 10.682,1013 2.385,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.186,1019 10.152,1020 0.947,1021 12.403,1022 2.172,1023 7.889,1024 9.764,1025 0.359,1026 14.738,1027 7.701,1028 11.535,1029 0.767,1030 14.153,1031 2.136,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.375,1037 12.939,1038 0.678,1039 15.924,1040 1.811,1041 9.871,1042 12.487,1043 0.214,1044 19.176,1045 9.634,1046 3.119,1047 0.618,1048 17.713,1049 1.642,1050 10.779,1051 13.766,1052 0.125,1053 21.376,1054 10.518,1055 2.768,1056 10.433,1057 19.514,1058 1.372,1059 11.951,1060 15.334,1061 0.129,1062 23.72,1063 11.67,1064 2.723,1065 8.885,1066 21.325,1067 4.518,1068 12.961,1069 16.729,1070 0.082,1071 25.991,1072 12.66,1073 2.517,1074 7.88,1075 23.146,1076 3.732,1077 14.09,1078 18.253,1079 0.079,1080 28.321,1081 13.772,1082 2.1,1083 6.965,1084 24.973,1085 3.444,1086 15.15,1087 19.703,1088 0.054,1089 30.625,1090 14.815,1091 1.915,1092 6.088,1093 26.807,1094 2.828,1095 16.265,1096 21.211,1097 0.048,1098 32.954,1099 15.914,1100 1.768,1101 5.578,1102 28.646,1103 2.72,1104 17.352,1105 22.688,1106 0.035,1107 35.274,1108 16.986,1109 13760,1110 20441,1111 24.038,1112 38.41,1113 50.708,1114 50.312,1115 50.317,1116 50.308,1117 50.345,1118 65.716,1119 2.915,1120 139.103,1121 48.571,1122 5.527,1123 5.202,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1132 1.491,1133 1.48,1134 1.48,1135 1.48,1136 1.481,1137 1.933,1138 0.086,1139 4.091,1140 1.429,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.937,1148 3.988,1149 3.85,1150 3.857,1151 4.927,1152 3.85,1153 3.864,1154 3.92,1155 3.793,1156 3.726,1157 4.759,1158 3.724,1159 3.818,1160 3.887,1161 3.741,1162 3.577,1163 4.385,1164 3.618,1165 3.47,1166 3.548,1167 3.336,1168 3.308,1169 4.254,1170 3.308,1171 3.345,1172 3.42,1173 3.217,1174 3.155,1175 4.118,1176 3.159,1177 3.193,1178 3.277,1179 3.045,1180 3,1181 3.839,1182 3.001,1183 2.977,1184 3.062,1185 2.809,1186 2.818,1187 3.674,1188 2.804,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.569,1195 0.133,1196 3.202,1197 0.024,1198 6.566,1199 0.307,1200 4.1,1201 0.09,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.048,1210 2.052,1211 1.32,1212 2.049,1213 1.913,1214 1.881,1215 2.039,1216 2.01,1217 1.268,1218 2.025,1219 1.693,1220 1.633,1221 1.911,1222 1.882,1223 1.142,1224 1.89,1225 1.669,1226 1.609,1227 1.876,1228 1.84,1229 1.114,1230 1.864,1231 1.441,1232 1.366,1233 1.656,1234 1.693,1235 0.898,1236 1.679,1237 1.377,1238 1.311,1239 1.547,1240 1.596,1241 0.709,1242 1.59,1243 1.263,1244 1.183,1245 1.506,1246 1.501,1247 0.585,1248 1.519,1249 1.078,1250 0.982,1251 1.358,1252 1.442,1253 0.515,1254 1.379,1255 4.234,1257 5.533,1258 3.434,1259 7.009,1260 5.687,1261 8.567,1262 7.678,1263 10.17,1271 7.909,1272 3.633,1275 0.747,1276 2.608,1280 35.923,1281 79.608,1282 203.106,1283 273.008,1284 309.008,1285 311.763,1286 311.763,1287 34.483,1288 8.085,1289 61.77,1290 61.77,1291 27,1292 12.536,1293 4.459,1294 3.524,1295 41.965,1296 150,1297 148,1298 0.133,1299 218.439,1300 360.6,1301 524.751,1302 44683,1304 20.175,1305 0.673,1306 0.572,1307 20.175,1308 17.167,1309 14.848,1310 0.437,1311 0.317,1312 10.642,1313 14.368,1314 10.432,1315 8.635,1316 14.848,1317 10.77,1318 12.936,1319 0.281,1320 0.179,1321 12.936,1322 8.235,1323 11.214,1324 0.184,1325 0.101,1326 11.214,1327 6.14,1328 9.419,1329 0.119,1330 0.056,1331 9.419,1332 4.446,1333 6.865,1334 0.077,1335 0.032,1336 6.865,1337 2.87,1338 0.218,1339 92.232,1340 0.204,1341 29.238,1342 0.342,1343 160,1344 367.246,1345 170.491,1346 367.153,1347 519.21,1348 348,1349 187,1350 396.49,1351 199.295,1352 406.074,1353 587.23,1354 382,1355 8.592} {0 CHEMBL160070,1 1.419,2 15.394,3 4.121,4 16.98,5 131.743,6 6.666,7 0.432,8 4.289,9 4.423,10 3.77,11 3.818,12 5.243,13 3.778,14 4.883,15 5.072,16 4.128,17 4.257,18 5.812,19 4.182,20 5.166,21 5.41,22 4.056,23 4.398,24 5.939,25 4.257,26 5.246,27 5.525,28 3.965,29 4.375,30 5.976,31 4.205,32 5.183,33 5.466,34 3.945,35 4.325,36 5.896,37 4.16,38 5.139,39 5.406,40 3.968,41 4.311,42 5.881,43 4.16,44 5.143,45 5.418,46 3.955,47 4.278,48 5.899,49 4.129,50 5.074,51 5.35,52 3.848,53 4.195,54 5.829,55 4.04,56 0.068,57 0.987,58 15.795,59 6.32,60 9.392,61 8.958,62 0.43,63 1.649,64 29.884,65 10.802,66 37.282,67 15.774,68 0.307,69 2.023,70 39.91,71 14.694,72 31.345,73 21.675,74 0.399,75 2.07,76 43.922,77 15.749,78 44.066,79 23.456,80 0.336,81 1.947,82 41.089,83 15.034,84 38.994,85 22.372,86 0.284,87 1.892,88 39.111,89 14.371,90 34.686,91 21.285,92 0.349,93 1.884,94 39.648,95 13.928,96 38.519,97 20.81,98 0.359,99 1.75,100 37.072,101 12.756,102 34.487,103 19.245,104 5,105 51,106 0.224,107 0.558,108 0.784,109 0.879,110 0.892,111 0.892,112 3.531,113 0.987,114 -3.73,115 -3.7,116 -3.52,119 40.3,120 1,121 3,122 1,125 5,127 2,140 8,141 4,149 1,150 1,157 1,169 14,171 1,172 3,174 2,176 7,178 15,182 2,186 7,189 12,193 3,195 1,197 5,199 10,203 4,206 1,208 4,211 9,215 8,220 2,222 6,226 7,230 1,231 4,233 5,237 4,240 1,242 1,244 7,249 2,252 2,253 1,254 1,256 8,259 2083,260 22.687,261 22.687,262 22.687,263 22.687,264 22.687,265 20.676,266 27.871,267 13.494,268 23.08,269 18.309,270 18.309,271 18.309,272 18.309,273 18.309,274 15.24,275 34.441,276 6.495,277 18.912,278 4.647,279 2.54,280 1.108,281 0.511,282 0.429,283 0.429,284 4.24,289 1,290 1126,291 3.536,294 276.082,295 220.635,298 148.867,302 2.466,303 21.215,306 1,307 1,308 0.83,309 1,310 0.5,311 1,312 1,313 0.9,314 70,315 508,316 4.552,317 3.681,318 6.548,319 4.085,320 3.098,321 4.504,322 2.186,323 10.366,324 3.059,325 4.048,326 3.184,327 6.02,328 3.787,329 2.809,330 3.538,331 0.8,332 8.551,333 2.752,334 3.886,335 3.096,336 5.658,337 3.689,338 2.734,339 3.173,340 0.657,341 7.913,342 2.616,343 3.741,344 2.942,345 5.642,346 3.663,347 2.703,348 2.925,349 0.366,350 7.861,351 2.589,352 3.654,353 2.74,354 5.235,355 3.298,356 2.317,357 2.756,359 6.614,360 2.256,361 3.35,362 2.299,363 5.098,364 3.034,365 2.069,366 2.652,368 6.014,369 1.992,370 3.164,371 2.188,372 4.884,373 2.87,374 1.901,375 2.333,377 5.586,378 1.835,379 2.972,380 2.033,381 4.553,382 2.737,383 1.757,384 2.013,386 4.736,387 1.716,388 2.955,389 1.849,390 4.278,391 2.676,392 1.693,393 1.983,395 4.157,396 1.648,397 2.706,398 1.491,399 4.139,400 2.247,401 1.266,402 1.784,404 3.454,405 1.24,406 2.5,407 1.326,408 3.5,409 2.132,410 1.158,411 1.5,413 2.674,414 1.125,415 2.45,416 1.27,417 3.346,418 2,419 1,420 1.439,422 2.136,423 1,424 2.221,425 1,426 3.281,427 1.856,428 0.89,429 1.126,431 2.063,432 0.857,433 1.839,434 0.973,435 3.268,436 1.713,437 0.752,438 0.803,440 1.779,441 0.718,442 1.772,443 0.842,444 3.247,445 1.591,446 0.715,447 0.742,449 1.708,450 0.621,451 15.767,452 0.478,453 0.708,454 0.021,455 37,456 1.121,457 15.5,458 0.47,459 21.5,460 0.652,461 32.831,462 0.995,463 36.433,464 0.544,465 26.091,466 0.791,467 7.064,468 0.214,469 9.072,470 0.275,471 0.053,473 0.311,479 0.875,480 1.345,481 0.897,482 1.13,483 0.634,484 1.026,485 0.868,486 1.122,487 1.019,488 1.027,489 0.528,490 1.03,491 0.863,492 1.13,493 1.106,494 1.133,495 0.716,496 1.139,497 0.814,498 0.991,499 1.007,500 1.007,501 0.815,502 1.024,503 0.657,504 0.959,505 0.91,506 0.974,507 0.646,508 0.968,509 0.742,510 1.068,511 0.955,512 1.053,513 0.537,514 1.029,515 0.842,516 1.019,517 0.952,518 0.995,519 0.798,520 0.984,521 0.838,522 1.026,523 1.009,524 1.028,525 0.724,526 1.027,527 6.5,528 0.107,529 3.111,530 2.056,531 1.094,532 0.768,533 0.627,534 0.366,535 0.258,536 0.179,537 19206,538 41866,539 2.168,540 50.7,542 20,543 1,545 3,547 9,548 1,550 1.747,551 2.084,552 3.883,553 0.772,559 95.072,560 1.419,561 3.527,562 4.958,563 5.555,564 5.637,565 5.637,566 3.377,567 4.741,568 5.014,569 4.074,570 2151.29,571 8.749,572 34665.3,577 406.428,578 1.182,579 4.999,580 0.176,581 0.004,582 0.061,583 0.046,584 0.027,585 0.019,586 0.015,587 0.009,588 0.007,589 0.006,590 0.371,591 0.33,592 0.88,593 0.398,594 180.197,595 -0.025,596 -0.096,597 0.065,598 -0.009,599 -0.011,600 0.032,601 0.159,602 0.036,603 -0.032,604 0.014,605 0.162,606 -0.023,607 -0.091,608 -0.088,609 -0.144,610 -0.119,611 -0.047,612 -0.134,613 -0.033,614 -0.022,615 -0.041,616 -0.027,617 -0.054,618 -0.035,619 0.029,620 0.004,621 0.047,622 0.013,623 0.007,624 0.03,625 -0.003,626 -0.084,627 0.005,628 -0.053,629 0.036,630 -0.027,631 0.002,632 -0.038,633 0.023,634 -0.02,635 0.006,637 0.013,638 -0.035,639 -0.032,640 -0.062,641 0.004,642 -0.05,643 1.975,644 4.295,645 0.758,646 43.352,647 0.99,648 1.129,649 2.5,650 6.251,651 0.647,652 3.638,653 3.951,654 4.205,655 4.454,656 4.575,657 4.625,658 4.796,659 4.956,660 5.037,661 5.165,662 8.863,663 0.603,664 446.65,665 3.638,666 5.176,667 6.019,668 6.884,669 7.739,670 8.608,671 9.468,672 10.338,673 11.203,674 12.075,675 6,677 1,678 1,682 1,683 1,687 2,688 9,690 1,693 3,695 16,714 67,716 17,717 2,718 37,720 71,721 27,722 14,723 4,724 8,730 5,731 6,736 1,740 2,741 1,743 5,745 15,746 12,747 1,750 1,755 1,759 1,764 34,765 5,766 3,767 6,773 4,777 0.8,778 2,788 1,789 1,792 3,793 2,796 1,814 1,815 1,816 1,819 4,823 1,827 33,833 8,834 2,835 1,837 3,838 1,847 3,850 1,852 1,854 15.833,855 11.783,856 7.167,857 4.231,858 2.971,859 1.358,860 0.993,861 7.002,862 11.265,863 3.85,864 4.391,865 4.915,866 5.461,867 5.902,868 6.116,869 6.499,870 6.853,871 6.89,872 7.145,873 1,874 45,875 12.257,877 5.226,878 7.5,879 24.366,881 20.865,883 2,884 66,888 364.904,889 135.338,890 55.931,892 36.145,895 135.338,896 401.049,897 55.931,898 8.825,899 38.63,900 102.868,901 25.145,902 43.039,903 20.678,904 353.133,906 364.904,907 191.269,908 36.145,911 247.193,912 153.856,915 85.375,916 105.894,919 364.904,920 92.076,921 135.338,924 364.904,925 41.655,926 96.807,927 52.807,928 36.145,929 364.904,930 92.076,931 135.338,933 0.58,934 0.332,935 0.178,936 0.088,937 25,938 10,939 0.127,940 9,941 1,942 1.08,943 4.703,944 294.829,945 0.08,946 25,947 162.465,951 22.454,952 10.291,953 5.6,954 2.477,955 75.291,956 19.409,958 3.426,961 3.964,963 52.807,964 592.318,965 46,970 11.295,974 -0.308,975 66.316,976 75.64,977 0.234,978 0.581,979 0.817,980 0.916,981 0.929,982 0.929,983 5.094,984 1.757,985 5.984,986 5.586,987 4.635,988 5.078,989 2.43,990 6.749,991 4.574,992 6.256,993 1.693,994 7.509,995 4.736,996 4.111,997 4.771,998 1.847,999 7.516,1000 4.039,1001 7.534,1002 1.266,1003 9.128,1004 4.157,1005 6.188,1006 7.187,1007 3.515,1008 10.59,1009 6.075,1010 8.846,1011 1.158,1012 10.804,1013 3.454,1014 6.509,1015 7.783,1016 3.598,1017 12.216,1018 6.38,1019 10.192,1020 1,1021 12.516,1022 2.674,1023 8.007,1024 9.666,1025 4.908,1026 14.773,1027 7.849,1028 11.563,1029 0.89,1030 14.255,1031 2.136,1032 8.719,1033 10.715,1034 5.29,1035 16.774,1036 8.546,1037 12.955,1038 0.752,1039 16.013,1040 2.063,1041 9.978,1042 12.379,1043 6.387,1044 19.159,1045 9.784,1046 3.098,1047 0.715,1048 17.788,1049 1.779,1050 10.883,1051 13.662,1052 6.93,1053 21.333,1054 10.675,1055 2.809,1056 10.366,1057 19.575,1058 1.708,1059 12.04,1060 15.229,1061 7.902,1062 23.664,1063 11.816,1064 2.734,1065 8.551,1066 21.373,1067 4.504,1068 13.04,1069 16.628,1070 8.539,1071 25.918,1072 12.804,1073 2.703,1074 7.913,1075 23.18,1076 3.538,1077 14.156,1078 18.156,1079 9.436,1080 28.237,1081 13.906,1082 2.317,1083 7.861,1084 24.995,1085 3.173,1086 15.204,1087 19.61,1088 10.13,1089 30.53,1090 14.944,1091 2.069,1092 6.614,1093 26.816,1094 2.925,1095 16.305,1096 21.122,1097 10.981,1098 32.851,1099 16.034,1100 1.901,1101 6.014,1102 28.645,1103 2.756,1104 17.379,1105 22.603,1106 11.71,1107 35.163,1108 17.098,1109 17662,1110 26291,1111 25.542,1112 43.353,1113 55.249,1114 56.352,1115 55.781,1116 55.128,1117 55.23,1118 68.187,1119 8.02,1120 154.854,1121 53.504,1122 5.516,1123 5.681,1124 6.35,1125 5.134,1126 5.098,1127 7.504,1128 3.889,1129 17.034,1130 5.059,1131 11.396,1132 1.493,1133 1.523,1134 1.508,1135 1.49,1136 1.493,1137 1.843,1138 0.217,1139 4.185,1140 1.446,1141 4.145,1142 4.18,1143 4.099,1144 4.065,1145 7.435,1146 4.069,1147 3.951,1148 3.998,1149 3.867,1150 3.872,1151 4.961,1152 3.866,1153 3.86,1154 3.913,1155 3.75,1156 3.726,1157 4.763,1158 3.723,1159 3.795,1160 3.836,1161 3.716,1162 3.596,1163 4.547,1164 3.612,1165 3.523,1166 3.591,1167 3.408,1168 3.364,1169 4.392,1170 3.368,1171 3.452,1172 3.51,1173 3.325,1174 3.288,1175 4.273,1176 3.284,1177 3.29,1178 3.365,1179 3.133,1180 3.095,1181 4.176,1182 3.1,1183 3.079,1184 3.174,1185 2.907,1186 2.888,1187 3.865,1188 2.88,1189 0.123,1190 0.099,1191 0.177,1192 0.11,1193 0.084,1194 4.552,1195 0.122,1196 3.681,1197 0.059,1198 6.548,1199 0.28,1200 4.085,1201 0.083,1202 3.098,1203 4.504,1204 2.186,1205 10.366,1206 3.059,1207 1.971,1208 1.949,1209 2.068,1210 2.047,1211 1.327,1212 2.055,1213 1.926,1214 1.895,1215 2.06,1216 2.025,1217 1.317,1218 2.039,1219 1.697,1220 1.638,1221 1.912,1222 1.883,1223 1.202,1224 1.891,1225 1.673,1226 1.614,1227 1.885,1228 1.842,1229 1.178,1230 1.866,1231 1.546,1232 1.487,1233 1.749,1234 1.754,1235 1.022,1236 1.756,1237 1.443,1238 1.37,1239 1.717,1240 1.655,1241 0.89,1242 1.671,1243 1.409,1244 1.336,1245 1.642,1246 1.614,1247 0.828,1248 1.639,1249 1.161,1250 1.156,1251 1.428,1252 1.563,1253 0.568,1254 1.477,1255 4.317,1257 5.631,1258 3.434,1259 7.112,1260 5.733,1261 8.668,1262 7.743,1263 10.267,1265 2.251,1271 8.082,1272 6.598,1273 5.025,1275 1.177,1276 2.605,1280 40.417,1281 95.072,1282 236.281,1283 332.163,1284 372.163,1285 377.673,1286 377.673,1287 48.938,1288 8.294,1289 69.39,1290 69.39,1291 27,1292 12.618,1293 4.17,1294 3.322,1295 48.194,1296 177,1297 167,1298 0.129,1299 244.547,1300 421.62,1301 588.455,1302 58447,1304 22.623,1305 0.686,1306 0.586,1307 22.623,1308 19.349,1309 16.136,1310 0.436,1311 0.329,1312 12.03,1313 15.637,1314 11.755,1315 9.701,1316 16.136,1317 12.167,1318 14.536,1319 0.285,1320 0.188,1321 14.536,1322 9.584,1323 12.221,1324 0.185,1325 0.108,1326 12.221,1327 7.131,1328 10.11,1329 0.119,1330 0.061,1331 10.11,1332 5.144,1333 7.583,1334 0.079,1335 0.035,1336 7.583,1337 3.398,1338 0.212,1339 100.231,1340 0.198,1341 31.617,1342 0.331,1343 176,1344 416.115,1345 189.666,1346 404.175,1347 559.99,1348 382,1349 205,1350 412.556,1351 218.365,1352 419.765,1353 613.68,1354 396,1355 9.523} {0 CHEMBL160581,1 1.46,2 14.031,3 3.551,4 12.61,5 127.685,6 7.143,7 0.583,8 4.193,9 4.319,10 3.735,11 3.743,12 5.236,13 3.717,14 4.744,15 4.919,16 4.086,17 4.154,18 5.722,19 4.105,20 5.014,21 5.228,22 4.157,23 4.314,24 5.971,25 4.23,26 5.055,27 5.267,28 4.078,29 4.319,30 5.979,31 4.207,32 5.115,33 5.365,34 4,35 4.244,36 6.032,37 4.118,38 5.011,39 5.266,40 3.84,41 4.125,42 5.887,43 3.996,44 4.852,45 5.103,46 3.751,47 4.006,48 5.764,49 3.877,50 4.775,51 5.036,52 3.714,53 3.88,54 5.736,55 3.77,56 0.048,57 0.884,58 12.973,59 5.41,60 9.774,61 7.323,62 0.239,63 1.453,64 24.285,65 9.028,66 21.917,67 12.508,68 0.481,69 1.787,70 33.53,71 12.287,72 44.283,73 17.149,74 0.242,75 1.816,76 34.577,77 13.497,78 38.389,79 18.629,80 0.481,81 1.826,82 38.853,83 13.935,84 58.393,85 19.564,86 0.45,87 1.64,88 35.366,89 12.164,90 48.018,91 17.148,92 0.277,93 1.429,94 29.433,95 10.726,96 38.001,97 15.285,98 0.302,99 1.286,100 27.856,101 9.85,102 41.023,103 13.948,104 7,105 50,106 0.234,107 0.552,108 0.707,109 0.815,110 0.861,111 0.872,112 3.502,113 0.93,114 -3.51,115 -3.49,116 -3.33,119 43.3,121 1,125 6,140 10,141 4,142 2,149 1,150 1,156 1,161 1,162 1,163 1,169 13,171 1,172 4,176 4,178 15,180 1,181 3,182 5,186 4,189 13,191 1,193 4,197 1,199 7,201 1,202 1,203 8,206 1,207 1,208 1,210 1,211 3,213 1,214 1,215 7,220 1,224 1,226 7,228 1,229 1,231 1,235 1,237 10,240 2,249 8,259 1746,260 22.3,261 22.3,262 22.3,263 22.3,264 22.3,265 19.779,266 20.41,267 13.255,268 22.687,269 17.75,270 17.75,271 17.75,272 17.75,273 17.75,274 13.859,275 24.677,276 6.182,277 18.361,278 4.447,279 2.462,280 1.499,281 0.825,282 0.533,283 0.467,284 4.215,288 1,289 1,290 1003,291 3.391,294 83.391,295 373.087,298 144.602,299 154.034,302 2.219,303 23.589,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 449,316 4.55,317 3.742,318 6.69,319 4.103,320 3.128,321 4.504,322 2.055,323 10.831,324 3.058,325 4.533,326 3.256,327 6.546,328 4.076,329 3.092,330 4.447,331 0.933,332 10.36,333 3.043,334 3.97,335 3.182,336 6.032,337 3.753,338 2.796,339 3.183,340 0.8,341 8.596,342 2.665,343 3.725,344 2.751,345 5.738,346 3.401,347 2.447,348 3.094,349 0.51,350 7.698,351 2.329,352 3.671,353 2.666,354 5.315,355 3.293,356 2.344,357 3.005,359 6.853,360 2.222,361 3.344,362 2.239,363 5.096,364 2.94,365 1.971,366 2.672,368 5.915,369 1.9,370 3.118,371 2.153,372 4.672,373 2.698,374 1.71,375 2.427,377 4.767,378 1.681,379 3.019,380 1.638,381 4.217,382 2.618,383 1.618,384 2.111,386 3.84,387 1.618,388 2.766,389 1.618,390 4.145,391 2.327,392 1.365,393 1.888,395 3.544,396 1.31,397 2.743,398 1.476,399 3.987,400 2.294,401 1.31,402 1.847,404 3.395,405 1.287,406 2.552,407 1.379,408 3.582,409 2.235,410 1.247,411 1.532,413 2.787,414 1.226,415 2.332,416 1.262,417 3.414,418 2.018,419 1.066,420 1.289,422 2.275,423 1.011,424 2.15,425 1.146,426 3.341,427 1.967,428 1,429 1.03,431 2.118,432 0.965,433 2.002,434 1.132,435 3.27,436 1.739,437 0.764,438 1,440 1.796,441 0.742,442 2,443 0.8,444 3.091,445 1.636,446 0.676,447 0.877,449 1.426,450 0.645,451 15.267,452 0.477,453 0.619,454 0.019,455 41.5,456 1.297,457 20.5,458 0.641,459 21,460 0.656,461 26.719,462 0.835,463 33.933,464 0.566,465 31.181,466 0.974,467 8.328,468 0.26,469 7.397,470 0.231,471 0.048,473 0.314,479 0.877,480 1.272,481 0.827,482 1.042,483 0.715,484 0.938,485 1.092,486 1.079,487 0.965,488 0.957,489 0.705,490 0.936,491 1.008,492 0.901,493 0.996,494 0.921,495 0.906,496 0.946,497 1.058,498 1.209,499 1.116,500 1.231,501 1.192,502 1.194,503 1.131,504 1.003,505 1.022,506 1.037,507 1.155,508 1.029,509 1.356,510 0.946,511 1.091,512 0.955,513 1.119,514 0.991,515 0.947,516 1.092,517 1.001,518 1.095,519 0.999,520 1.064,521 1.041,522 0.958,523 0.853,524 0.962,525 1.235,526 0.902,527 5,528 0.089,529 4,530 1.917,531 1.471,532 0.889,533 0.537,534 0.416,535 0.345,536 0.208,537 16879,538 38175,539 2.174,540 46.7,542 22,543 1,545 3,547 2,550 1.738,551 2.087,552 3.736,553 0.791,555 1,559 87.596,560 1.46,561 3.445,562 4.408,563 5.082,564 5.374,565 5.44,566 3.21,567 4.563,568 4.975,569 3.938,570 1953.45,571 8.663,572 29878.8,574 1,577 354.413,578 1.198,579 4.954,580 0.139,581 0.003,582 0.08,583 0.037,584 0.032,585 0.022,586 0.015,587 0.013,588 0.011,589 0.007,590 0.359,591 0.33,592 0.88,593 0.719,594 171.38,595 -0.043,596 -0.092,597 0.059,598 -0.007,599 -0.059,600 0.033,601 -0.061,602 0.046,603 -0.024,604 0.033,605 -0.027,606 0.017,607 0.063,608 0.139,609 -0.024,610 0.064,611 0.025,612 0.022,613 -0.079,614 -0.216,615 -0.159,616 -0.22,617 -0.11,618 -0.204,619 0.047,620 -0.064,621 -0.012,622 -0.06,623 -0.012,624 -0.05,625 -0.107,626 -0.001,627 -0.069,628 0.009,629 -0.084,630 -0.022,631 0.038,632 -0.138,633 -0.011,634 -0.112,635 0.042,636 -0.075,637 0.124,638 -0.032,639 0.167,640 0.01,641 0.13,642 0.08,643 1.64,644 5.77,645 0.781,646 35,647 0.994,648 1.123,649 2.279,650 5.195,651 0.668,652 3.611,653 3.932,654 4.248,655 4.522,656 4.754,657 4.804,658 4.942,659 5.043,660 5.094,661 5.106,662 8.199,663 0.631,664 428.58,665 3.611,666 5.153,667 6.019,668 6.899,669 7.779,670 8.663,671 9.548,672 10.434,673 11.32,674 12.207,675 6.7,676 1,681 1,682 1,683 1,687 4,688 11,690 1,693 3,695 21,709 1,712 1,714 60,716 22,717 3,718 36,720 64,721 26,722 18,723 6,724 10,730 5,731 7,736 1,743 1,745 19,746 7,750 1,755 1,759 1,761 1,764 28,765 5,766 3,767 6,773 4,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,806 1,812 1,819 3,827 32,828 1,833 7,835 1,838 2,847 3.3,850 1,852 1,854 15.333,855 10.483,856 7.083,857 3.646,858 4.148,859 1.497,860 1.032,861 6.126,862 12.501,863 3.882,864 4.497,865 5.137,866 5.748,867 6.286,868 6.557,869 6.937,870 7.284,871 7.414,872 7.326,873 1,874 52,875 11.867,877 5.078,878 7.589,879 23.15,881 19.488,883 2.089,884 66.833,887 1,888 294.278,889 147.219,890 55.931,892 36.145,895 147.219,896 330.422,897 55.931,899 53.677,900 103.81,901 29.85,902 49.814,903 13.915,904 282.506,906 294.278,907 203.15,908 36.145,911 270.735,912 59.687,915 70.462,916 132.688,919 294.278,920 92.076,921 147.219,924 294.278,925 43.409,926 110.059,927 16.786,928 69.042,929 294.278,930 92.076,931 147.219,933 0.575,934 0.348,935 0.195,936 0.107,937 25,938 10,939 0.094,940 6,941 2,942 1.16,943 4.479,944 292.802,945 0.16,946 25,947 154,951 21.013,952 9.329,953 4.402,954 4.652,955 75.291,956 22.708,958 3.254,961 3.112,963 49.683,964 533.572,965 47.5,970 12.77,974 0.027,975 59.665,976 67.394,977 0.247,978 0.583,979 0.746,980 0.86,981 0.91,982 0.921,983 5.113,984 1.618,985 5.989,986 4.767,987 4.615,988 5.185,989 2.425,990 6.806,991 4.552,992 6.31,993 1.365,994 7.547,995 3.84,996 4.111,997 4.987,998 1.738,999 7.719,1000 4.022,1001 7.617,1002 1.31,1003 9.208,1004 3.544,1005 6.209,1006 7.44,1007 3.327,1008 10.833,1009 6.086,1010 8.964,1011 1.247,1012 10.931,1013 3.395,1014 6.581,1015 8.153,1016 3.296,1017 12.606,1018 6.436,1019 10.349,1020 1.066,1021 12.695,1022 2.787,1023 8.098,1024 10.046,1025 4.559,1026 15.217,1027 7.926,1028 11.76,1029 1,1030 14.487,1031 2.275,1032 8.874,1033 11.185,1034 4.854,1035 17.332,1036 8.684,1037 13.191,1038 0.764,1039 16.298,1040 2.118,1041 10.154,1042 12.85,1043 5.901,1044 19.777,1045 9.941,1046 3.128,1047 0.676,1048 18.124,1049 1.796,1050 11.118,1051 14.188,1052 6.37,1053 22.034,1054 10.889,1055 3.092,1056 10.831,1057 19.961,1058 1.426,1059 12.301,1060 15.757,1061 7.287,1062 24.422,1063 12.052,1064 2.796,1065 10.36,1066 21.807,1067 4.504,1068 13.352,1069 17.185,1070 7.856,1071 26.739,1072 13.087,1073 2.447,1074 8.596,1075 23.659,1076 4.447,1077 14.496,1078 18.713,1079 8.696,1080 29.109,1081 14.213,1082 2.344,1083 7.698,1084 25.517,1085 3.183,1086 15.587,1087 20.181,1088 9.324,1089 31.452,1090 15.288,1091 1.971,1092 6.853,1093 27.379,1094 3.094,1095 16.719,1096 21.693,1097 10.117,1098 33.818,1099 16.401,1100 1.71,1101 5.915,1102 29.246,1103 3.005,1104 17.829,1105 23.178,1106 10.781,1107 36.173,1108 17.494,1109 15474,1110 23397,1111 24.849,1112 40.069,1113 54.164,1114 54.997,1115 55.349,1116 53.857,1117 53.878,1118 70.803,1119 8.597,1120 154.215,1121 52.151,1122 5.55,1123 5.742,1124 6.456,1125 5.187,1126 5.128,1127 7.504,1128 3.661,1129 17.983,1130 5.058,1131 10.888,1132 1.505,1133 1.528,1134 1.537,1135 1.496,1136 1.497,1137 1.967,1138 0.239,1139 4.284,1140 1.449,1141 4.14,1142 4.171,1143 4.096,1144 4.063,1145 7.427,1146 4.065,1147 4.087,1148 4.114,1149 4.043,1150 4.028,1151 5.038,1152 4.03,1153 3.814,1154 3.873,1155 3.724,1156 3.615,1157 4.957,1158 3.632,1159 3.58,1160 3.636,1161 3.477,1162 3.428,1163 4.898,1164 3.429,1165 3.486,1166 3.539,1167 3.378,1168 3.373,1169 4.562,1170 3.366,1171 3.412,1172 3.468,1173 3.281,1174 3.205,1175 4.377,1176 3.222,1177 3.277,1178 3.338,1179 3.166,1180 3.072,1181 4.233,1182 3.084,1183 3.111,1184 3.206,1185 2.924,1186 2.941,1187 3.99,1188 2.92,1189 0.126,1190 0.104,1191 0.186,1192 0.114,1193 0.087,1194 4.55,1195 0.125,1196 3.742,1197 0.057,1198 6.69,1199 0.301,1200 4.103,1201 0.085,1202 3.128,1203 4.504,1204 2.055,1205 10.831,1206 3.058,1207 2.076,1208 2.056,1209 2.16,1210 2.147,1211 1.346,1212 2.153,1213 1.936,1214 1.918,1215 2.021,1216 2.029,1217 1.225,1218 2.025,1219 1.749,1220 1.686,1221 1.942,1222 1.96,1223 1.209,1224 1.959,1225 1.649,1226 1.59,1227 1.851,1228 1.846,1229 1.017,1230 1.853,1231 1.475,1232 1.435,1233 1.656,1234 1.652,1235 0.825,1236 1.64,1237 1.35,1238 1.306,1239 1.562,1240 1.577,1241 0.74,1242 1.589,1243 1.266,1244 1.182,1245 1.513,1246 1.529,1247 0.685,1248 1.531,1249 1.153,1250 1.064,1251 1.508,1252 1.376,1253 0.555,1254 1.429,1255 4.29,1257 5.609,1258 2.398,1259 7.135,1260 4.727,1261 8.753,1262 6.823,1263 10.419,1269 5.705,1271 4.488,1273 5.851,1276 4.266,1280 37.837,1281 87.596,1282 206.718,1283 264.465,1284 304.904,1285 322.413,1286 326.413,1287 47.309,1288 8.353,1289 74.59,1290 74.59,1291 29,1292 12.738,1293 4.524,1294 3.644,1295 46.102,1296 161,1297 151,1298 0.138,1299 229.1,1300 388.14,1301 550.764,1302 60985,1304 21.916,1305 0.685,1306 0.565,1307 21.916,1308 18.089,1309 15.725,1310 0.437,1311 0.31,1312 11.025,1313 15.216,1314 10.818,1315 8.896,1316 15.725,1317 11.161,1318 13.762,1319 0.275,1320 0.164,1321 13.762,1322 8.215,1323 12.217,1324 0.177,1325 0.091,1326 12.217,1327 6.255,1328 10.378,1329 0.114,1330 0.05,1331 10.378,1332 4.527,1333 8.595,1334 0.075,1335 0.027,1336 8.595,1337 3.142,1338 0.224,1339 97.791,1340 0.201,1341 30.485,1342 0.357,1343 172,1344 436.406,1345 185.001,1346 424.754,1347 594.41,1348 402,1349 205,1350 445.119,1351 219.029,1352 451.346,1353 665.06,1354 428,1355 9.153} {0 CHEMBL161045,1 1.434,2 8.55,3 1.546,4 2.389,5 81.184,6 7.226,7 0.652,8 3.74,9 3.881,10 3.313,11 3.257,12 4.758,13 3.241,14 4.266,15 4.468,16 3.591,17 3.651,18 5.179,19 3.599,20 4.425,21 4.664,22 3.474,23 3.726,24 5.228,25 3.612,26 4.451,27 4.701,28 3.425,29 3.702,30 5.258,31 3.571,32 4.441,33 4.729,34 3.348,35 3.577,36 5.198,37 3.446,38 4.214,39 4.461,40 3.322,41 3.459,42 5.046,43 3.373,44 4.206,45 4.455,46 3.166,47 3.381,48 5.064,49 3.26,50 4.134,51 4.45,52 2.713,53 3.12,54 4.832,55 2.941,56 0.049,57 0.621,58 8.064,59 3.018,60 7.677,61 4.366,62 0.179,63 0.96,64 14.974,65 4.976,66 12.262,67 7.388,68 0.135,69 1.015,70 18.253,71 6.694,72 13.902,73 9.905,74 0.112,75 1.014,76 18.939,77 7.039,78 16.793,79 10.475,80 0.207,81 0.952,82 19.806,83 6.573,84 18.585,85 10.075,86 0.123,87 0.827,88 14.989,89 4.808,90 12.109,91 7.412,92 0.197,93 0.803,94 14.948,95 4.778,96 15.79,97 7.273,98 0.164,99 0.646,100 15.094,101 4.363,102 15.902,103 7.013,105 32,106 0.257,107 0.633,108 0.779,109 0.829,110 0.829,111 0.829,112 3.058,113 0.923,114 -3.88,115 -3.84,116 -3.64,119 40.5,121 2,125 3,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 4,171 2,172 4,176 3,178 4,182 3,186 3,189 4,193 6,199 3,203 6,206 2,211 2,215 3,222 1,225 1,226 3,229 2,231 1,233 1,244 1,248 2,249 1,256 1,259 504,260 14.085,261 14.085,262 14.085,263 14.085,264 14.085,265 12.397,266 16.229,267 8.369,268 14.425,269 11.386,270 11.386,271 11.386,272 11.386,273 11.386,274 8.847,275 17.332,276 3.989,277 11.94,278 3.776,279 1.682,280 0.872,281 0.595,282 0.595,283 0.595,284 3.755,287 1,288 1,289 1,290 387,291 2.236,293 45.428,294 90.592,295 47.104,298 74.323,302 1.45,303 7.301,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 42.5,315 171,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.923,327 6.096,328 3.693,329 2.756,330 3.732,332 8.885,333 2.58,334 3.596,335 2.838,336 5.401,337 3.5,338 2.572,339 2.821,341 7.119,342 2.385,343 3.399,344 2.16,345 5.11,346 2.989,347 2.009,348 2.614,350 5.955,351 1.965,352 3.244,353 1.793,354 4.514,355 2.728,356 1.773,357 2.531,359 4.654,360 1.689,361 2.736,362 1.34,363 4.127,364 2.277,365 1.296,366 1.841,368 3.451,369 1.271,370 2.412,371 1.127,372 3.436,373 2.031,374 1.068,375 1.377,377 2.398,378 1.026,379 2.201,380 0.936,381 3.312,382 1.855,383 0.89,384 1.129,386 2.083,387 0.856,388 2.118,389 0.691,390 3.174,391 1.581,392 0.624,393 0.927,395 1.501,396 0.596,397 1.951,398 0.618,399 3,400 1.518,401 0.618,402 0.821,404 1.372,405 0.556,406 1.3,407 0.233,408 2.681,409 1.137,410 0.161,411 0.18,413 0.381,414 0.157,415 1,416 0.22,417 2.618,418 0.951,424 0.817,425 -0.407,426 2.435,427 0.406,428 -0.557,429 -0.715,431 -1.422,432 -0.533,433 0.614,434 -0.743,435 2.113,436 0.15,437 -0.844,438 -1.15,440 -2.617,441 -0.837,442 0.143,443 -0.949,444 2,445 -0.158,446 -1.112,447 -1.403,449 -2.984,450 -1.056,451 9.5,452 0.475,453 0.359,454 0.018,455 26,456 1.3,457 12,458 0.6,459 14,460 0.7,461 13.822,462 0.691,463 21.1,464 0.57,465 15.151,466 0.758,467 5.041,468 0.252,469 4.858,470 0.243,473 0.295,479 0.872,480 1.433,481 0.785,482 1.116,483 0.574,484 0.968,485 1.176,486 0.985,487 0.992,488 0.914,489 0.775,490 0.926,491 0.873,492 0.994,493 1.008,494 1.055,495 0.709,496 1.05,497 0.709,498 1.131,499 0.983,500 1.176,501 0.759,502 1.126,503 0.725,504 0.872,505 0.824,506 0.891,507 0.829,508 0.874,509 1.082,510 1.12,511 0.939,512 0.984,513 0.904,514 0.95,515 1.02,516 1.097,517 1.201,518 1.215,519 1.115,520 1.229,521 1.164,522 0.904,523 1.056,524 0.926,525 1.384,526 0.968,527 3,528 0.015,529 2.111,530 0.819,531 0.694,532 0.476,533 0.272,534 0.072,535 0.084,536 0.02,537 4323,538 9492,539 2.259,540 45.9,542 9,543 1,544 2,545 1,547 2,548 2,550 1.617,551 2.222,552 3.103,553 -0.271,555 1,557 1,559 53.05,560 1.434,561 3.527,562 4.337,563 4.615,564 4.615,565 4.615,566 2.528,567 3.784,568 4.29,569 3.233,570 614.342,571 7.329,572 6243.98,573 1,574 1,576 1,577 192.75,578 0.881,579 4.295,580 0.13,581 0.003,582 0.07,583 0.032,584 0.029,585 0.022,586 0.012,587 0.004,588 0.008,589 0.002,590 0.313,591 0.67,592 1,594 88.465,595 0.115,596 -0.218,597 0.096,598 -0.089,599 0.285,600 -0.014,601 -0.075,602 0.144,603 -0.059,604 0.062,605 0.064,606 0.013,607 -0.1,608 -0.008,609 -0.074,610 -0.027,611 0.034,612 -0.044,613 0.004,614 -0.186,615 -0.044,616 -0.144,617 0.046,618 -0.108,619 0.159,620 0.024,621 0.169,622 0.091,623 0.105,624 0.124,625 -0.091,626 -0.122,627 0.027,628 -0.01,629 0.003,630 0.018,631 0.067,632 -0.089,633 -0.231,634 -0.27,635 -0.084,636 -0.286,637 -0.13,638 -0.046,639 -0.028,640 0.002,641 -0.233,642 0.001,643 0.563,644 0.865,645 0.9,646 15.64,647 0.995,648 1.135,649 2.65,650 7.025,651 0.665,652 3.178,653 3.497,654 3.807,655 4.007,656 4.143,657 4.304,658 4.466,659 4.595,660 4.585,661 4.554,662 5.164,663 0.629,664 267.37,665 3.178,666 4.71,667 5.572,668 6.447,669 7.323,670 8.204,671 9.086,672 9.971,673 10.855,674 11.743,675 13.5,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 37,715 1,716 15,717 1,718 23,720 40,721 15,722 10,723 3,724 3,730 4,731 5,740 1,743 2,745 10,746 5,760 1,761 1,764 17,765 3,766 1,767 5,773 5,777 0.75,788 1,791 1,792 2,793 1,796 1,815 1,819 3,827 20,833 5,838 1,844 1,854 9,855 6.55,856 4.333,857 2.33,858 2.818,859 1.407,860 1.052,861 2.962,862 9.75,863 3.45,864 4.069,865 4.718,866 5.327,867 5.762,868 6.222,869 6.706,870 7.151,871 7.341,872 7.558,873 0.833,874 26,875 7.369,877 3.142,878 7.433,879 14.625,881 12.438,883 1.933,884 38.667,885 0.002,888 188.338,889 76.759,890 55.135,895 76.759,896 188.338,897 55.135,899 11.386,900 37.476,901 74.105,902 30.324,903 13.915,904 153.024,906 188.338,907 131.894,911 141.253,912 47.084,915 50.432,916 48.136,917 33.326,919 188.338,920 55.135,921 76.759,924 188.338,925 22.046,926 59.737,927 16.786,928 33.326,929 188.338,930 55.135,931 76.759,933 0.579,934 0.344,935 0.172,936 0.081,937 18,938 6,939 0.1,940 4,941 1,942 1.111,943 3.479,944 154.67,945 0.111,946 18,947 80.439,951 11.975,952 4.946,953 2.238,954 2.497,955 36.45,956 12.015,957 7.731,958 3.361,961 2.495,962 1.936,963 16.786,964 320.232,965 30.5,975 36.811,976 41.983,977 0.275,978 0.677,979 0.833,980 0.886,981 0.886,982 0.886,983 4.67,984 0.89,985 5.533,986 2.398,987 4.174,988 4.754,989 0.673,990 6.33,991 4.087,992 5.86,993 0.624,994 7.074,995 2.083,996 3.611,997 4.477,998 0.325,999 7.182,1000 3.483,1001 7.165,1002 0.618,1003 8.718,1004 1.501,1005 5.771,1006 7.003,1007 0.379,1008 10.297,1009 5.604,1010 8.511,1011 0.161,1012 10.424,1013 1.372,1014 6.111,1015 7.698,1016 0.268,1017 12.024,1018 5.909,1019 9.894,1021 12.172,1022 0.381,1023 7.641,1024 9.588,1025 0.239,1026 14.609,1027 7.409,1028 11.302,1029 -0.557,1030 13.947,1032 8.389,1033 10.723,1034 0.188,1035 16.684,1036 8.133,1037 12.73,1038 -0.844,1039 15.742,1040 -1.422,1041 9.667,1042 12.372,1043 0.156,1044 19.097,1045 9.388,1046 3.119,1047 -1.112,1048 17.551,1049 -2.617,1050 10.608,1051 13.709,1052 0.125,1053 21.317,1054 10.313,1055 2.756,1056 10.433,1057 19.371,1058 -2.984,1059 11.784,1060 15.264,1061 0.102,1062 23.672,1063 11.47,1064 2.572,1065 8.885,1066 21.199,1067 4.518,1068 12.816,1069 16.692,1070 0.082,1071 25.955,1072 12.491,1073 2.009,1074 7.119,1075 23.034,1076 3.732,1077 13.953,1078 18.211,1079 0.066,1080 28.293,1081 13.613,1082 1.773,1083 5.955,1084 24.876,1085 2.821,1086 15.03,1087 19.679,1088 0.054,1089 30.603,1090 14.68,1091 1.296,1092 4.654,1093 26.722,1094 2.614,1095 16.153,1096 21.187,1097 0.043,1098 32.937,1099 15.791,1100 1.068,1101 3.451,1102 28.571,1103 2.531,1104 17.253,1105 22.674,1106 0.035,1107 35.262,1108 16.88,1109 3972,1110 6017,1111 16.296,1112 24.597,1113 34.188,1114 33.781,1115 33.817,1116 33.773,1117 33.772,1118 44.98,1119 1.6,1120 96.464,1121 32.284,1122 5.569,1123 5.202,1124 6.184,1125 5.159,1126 5.119,1127 7.518,1128 1.2,1129 17.104,1130 5.062,1132 1.486,1133 1.469,1134 1.47,1135 1.468,1136 1.468,1137 1.956,1138 0.07,1139 4.194,1140 1.404,1141 4.152,1142 4.19,1143 4.112,1144 4.06,1145 5.134,1146 4.068,1147 3.857,1148 3.931,1149 3.792,1150 3.67,1151 4.927,1152 3.676,1153 3.808,1154 3.883,1155 3.708,1156 3.567,1157 4.355,1158 3.606,1159 3.393,1160 3.454,1161 3.277,1162 3.264,1163 4.244,1164 3.261,1165 3.176,1166 3.263,1167 3.023,1168 2.972,1169 3.831,1170 2.974,1171 2.877,1172 2.944,1173 2.734,1174 2.751,1175 3.567,1176 2.741,1177 2.524,1178 2.66,1179 2.305,1180 2.274,1181 3.413,1182 2.254,1183 2.428,1184 2.555,1185 2.221,1186 2.262,1187 3.396,1188 2.228,1189 0.199,1190 0.139,1191 0.285,1192 0.178,1193 0.136,1194 4.569,1195 0.196,1196 3.202,1197 0.035,1198 6.566,1199 0.454,1200 4.1,1201 0.133,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.961,1208 1.936,1209 2.062,1210 2.062,1211 1.388,1212 2.064,1213 1.819,1214 1.752,1215 2.008,1216 2.018,1217 1.215,1218 2.02,1219 1.58,1220 1.525,1221 1.777,1222 1.76,1223 1.014,1224 1.766,1225 1.391,1226 1.323,1227 1.529,1228 1.634,1229 0.588,1230 1.612,1231 1.122,1232 1.038,1233 1.389,1234 1.442,1235 0.528,1236 1.382,1237 1.078,1238 0.982,1239 1.219,1240 1.36,1241 0.325,1242 1.379,1243 0.862,1244 0.797,1245 1.118,1246 1.047,1247 0.188,1248 1.078,1249 0.651,1250 0.584,1251 1.079,1252 0.895,1253 0.104,1254 0.967,1255 3.85,1257 5.209,1258 3.045,1259 6.732,1260 5.283,1261 8.327,1262 7.286,1263 9.963,1271 6.129,1276 2.502,1280 23.268,1281 53.05,1282 130.511,1283 160.485,1284 170.75,1285 170.75,1286 170.75,1287 18.242,1288 6.932,1289 49.74,1290 49.74,1291 20,1292 12.274,1293 4,1294 3.087,1295 26.197,1296 60,1297 65,1298 0.212,1299 141.489,1300 225.08,1301 336.993,1302 8771,1304 13.364,1305 0.668,1306 0.564,1307 13.364,1308 11.288,1309 9.899,1310 0.43,1311 0.308,1312 6.969,1313 9.486,1314 6.854,1315 5.645,1316 9.899,1317 7.074,1318 8.753,1319 0.274,1320 0.167,1321 8.753,1322 5.358,1323 7.839,1324 0.178,1325 0.093,1326 7.839,1327 4.114,1328 6.123,1329 0.113,1330 0.048,1331 6.123,1332 2.594,1333 4.425,1334 0.071,1335 0.027,1336 4.425,1337 1.659,1338 0.327,1339 62.035,1340 0.248,1341 19.989,1342 0.594,1343 110,1344 270.913,1345 119.103,1346 268.071,1347 381.42,1348 254,1349 131,1350 297.363,1351 141.463,1352 301.605,1353 438.36,1354 284,1355 8.959} {0 CHEMBL161066,1 1.411,2 14.067,3 1.8,4 3.24,5 121.017,6 7.045,7 0.618,8 4.148,9 4.291,10 3.689,11 3.667,12 5.163,13 3.642,14 4.705,15 4.905,16 4.007,17 4.095,18 5.611,19 4.037,20 4.949,21 5.19,22 3.922,23 4.218,24 5.726,25 4.088,26 5.038,27 5.319,28 3.848,29 4.187,30 5.768,31 4.031,32 4.986,33 5.282,34 3.786,35 4.103,36 5.692,37 3.948,38 4.865,39 5.138,40 3.804,41 4.064,42 5.598,43 3.937,44 4.866,45 5.123,46 3.793,47 4.068,48 5.655,49 3.934,50 4.883,51 5.175,52 3.6,53 3.977,54 5.593,55 3.81,56 0.075,57 0.929,58 12.716,59 4.754,60 11.673,61 6.953,62 0.253,63 1.491,64 23.771,65 7.955,66 20.874,67 11.941,68 0.213,69 1.7,70 31.269,71 11.477,72 22.527,73 17.123,74 0.291,75 1.734,76 35.593,77 12.374,78 30.994,79 18.852,80 0.358,81 1.619,82 34.368,83 11.59,84 30.592,85 17.746,86 0.237,87 1.502,88 29.713,89 10.135,90 22.259,91 15.505,92 0.295,93 1.535,94 29.376,95 10.15,96 26.876,97 15.336,98 0.261,99 1.45,100 30.856,101 10.138,102 27.343,103 15.745,105 46,106 0.229,107 0.601,108 0.794,109 0.867,110 0.867,111 0.867,112 3.44,113 0.937,114 -3.96,115 -3.92,116 -3.71,119 40.4,121 2,122 1,125 5,140 5,141 3,142 1,143 2,149 1,150 1,158 2,164 1,169 7,171 2,172 7,176 5,178 5,182 4,186 6,189 4,193 6,195 1,199 5,203 6,206 3,211 6,215 4,220 1,222 4,225 1,226 6,229 2,231 3,233 2,237 1,242 1,244 3,248 3,249 2,253 1,254 1,256 5,259 1572,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 24.36,267 12.752,268 21.547,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.27,275 28.18,276 6.124,277 17.58,278 4.422,279 2.13,280 0.941,281 0.491,282 0.491,283 0.491,284 4.155,288 1,289 1,290 949,291 3,294 240.281,295 195.52,298 130.287,302 2.271,303 12.548,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 422,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.969,327 6.096,328 3.713,329 2.768,330 3.732,331 0.657,332 8.885,333 2.631,334 3.899,335 2.868,336 5.647,337 3.671,338 2.723,339 3.444,341 7.88,342 2.571,343 3.737,344 2.754,345 5.34,346 3.504,347 2.517,348 2.828,350 6.965,351 2.483,352 3.426,353 2.254,354 5.139,355 3.071,356 2.1,357 2.72,359 6.088,360 2.036,361 3.25,362 2.089,363 4.878,364 2.87,365 1.915,366 2.586,368 5.578,369 1.821,370 3.024,371 1.792,372 4.514,373 2.723,374 1.768,375 2.127,377 4.654,378 1.684,379 2.907,380 1.672,381 4.122,382 2.471,383 1.538,384 1.991,386 3.429,387 1.432,388 2.725,389 1.327,390 3.676,391 2.251,392 1.274,393 1.822,395 3.223,396 1.242,397 2.5,398 1.25,399 3.397,400 2.02,401 1.08,402 1.5,404 2.385,405 1.012,406 2.404,407 1.014,408 3.333,409 1.984,410 1,411 1.363,413 2.172,414 0.983,415 2.202,416 1,417 3.247,418 1.902,419 0.947,420 1.165,422 2.136,423 0.902,424 2.118,425 0.857,426 3.24,427 1.728,428 0.767,429 0.978,431 1.811,432 0.735,433 2.102,434 0.756,435 3.227,436 1.643,437 0.678,438 0.927,440 1.642,441 0.653,442 1.761,443 0.618,444 3.033,445 1.518,446 0.618,447 0.731,449 1.372,450 0.556,451 14.3,452 0.477,453 0.496,454 0.017,455 38.5,456 1.283,457 18,458 0.6,459 20.5,460 0.683,461 24.929,462 0.831,463 31.9,464 0.56,465 25.42,466 0.847,467 7.513,468 0.25,469 7.336,470 0.245,473 0.266,479 0.925,480 1.428,481 0.83,482 1.123,483 0.66,484 0.991,485 1.259,486 1.042,487 1.033,488 0.954,489 0.892,490 0.963,491 0.885,492 1.126,493 1.086,494 1.182,495 0.734,496 1.163,497 0.799,498 1.008,499 0.971,500 1.056,501 0.736,502 1.038,503 0.775,504 0.846,505 0.895,506 0.913,507 0.787,508 0.917,509 0.905,510 0.969,511 0.905,512 0.94,513 0.766,514 0.925,515 0.883,516 1.054,517 1.075,518 1.134,519 0.962,520 1.129,521 0.96,522 1.026,523 1.028,524 1.052,525 1.052,526 1.048,527 4.5,528 0.092,529 2.667,530 1.139,531 0.864,532 0.694,533 0.408,534 0.201,535 0.213,536 0.08,537 15153,538 34901,539 2.228,540 47.4,542 15,543 1,544 4,545 2,547 4,548 1,550 1.721,551 2.195,552 3.755,553 0.21,555 1,559 80.399,560 1.411,561 3.702,562 4.892,563 5.342,564 5.342,565 5.342,566 3.248,567 4.307,568 4.877,569 3.962,570 1723.51,571 8.469,572 25711.2,574 1,577 332.475,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.028,584 0.024,585 0.02,586 0.011,587 0.006,588 0.008,589 0.003,590 0.296,591 0.33,592 0.88,594 158.685,595 0.074,596 -0.194,597 0.083,598 -0.065,599 0.23,600 -0.003,601 -0.127,602 0.111,603 -0.078,604 0.044,605 -0.004,606 -0.002,607 -0.091,608 -0.125,609 -0.139,610 -0.149,611 0.007,612 -0.149,613 0.024,614 -0.087,615 0.005,616 -0.052,617 0.058,618 -0.03,619 0.111,620 0.059,621 0.097,622 0.072,623 0.077,624 0.081,625 -0.033,626 -0.019,627 0.072,628 0.061,629 0.03,630 0.077,631 0.045,632 -0.065,633 -0.104,634 -0.138,635 -0.071,636 -0.139,637 -0.059,638 -0.116,639 -0.037,640 -0.072,641 -0.122,642 -0.055,643 0.602,644 1.106,645 0.833,646 36.12,647 0.992,648 1.134,649 2.733,650 7.47,651 0.661,652 3.555,653 3.85,654 4.127,655 4.382,656 4.5,657 4.595,658 4.745,659 4.905,660 4.977,661 5.037,662 8.252,663 0.621,664 401.57,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.379,672 10.25,673 11.12,674 11.995,675 12.3,677 1,678 1,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 57,716 21,717 1,718 34,720 61,721 23,722 15,723 3,724 3,730 5,731 6,740 1,741 1,743 2,745 15,746 8,747 1,761 1,764 27,765 5,766 2,767 7,773 7,777 0.8,786 1,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,827 30,833 7,834 1,837 1,838 1,844 1,854 13.667,855 9.917,856 6.583,857 3.478,858 3.584,859 1.443,860 1.025,861 5.777,862 11.669,863 3.818,864 4.394,865 4.989,866 5.574,867 5.994,868 6.327,869 6.779,870 7.214,871 7.418,872 7.657,873 1,874 40,875 11.061,877 4.658,878 7.439,879 21.937,881 18.47,883 1.939,884 58.167,888 294.278,889 121.203,890 89.931,895 121.203,896 294.278,897 89.931,899 15.598,900 74.439,901 114.433,902 51.605,903 13.915,904 235.422,906 294.278,907 211.134,911 235.422,912 58.856,915 90.749,916 70.274,917 50.112,919 294.278,920 89.931,921 121.203,924 294.278,925 29.443,926 96.784,927 34.796,928 50.112,929 294.278,930 89.931,931 121.203,933 0.571,934 0.332,935 0.181,936 0.087,937 23,938 8,939 0.131,940 8,941 1,942 1.08,943 4.512,944 259.91,945 0.08,946 25,947 139.207,951 19.286,952 8.986,953 4.581,954 2.47,955 71.247,956 19.937,957 11.902,958 3.415,961 3.763,962 1.945,963 34.796,964 505.412,965 44.5,975 56.549,976 64.64,977 0.242,978 0.635,979 0.839,980 0.916,981 0.916,982 0.916,983 5.032,984 1.538,985 5.872,986 4.654,987 4.533,988 5.081,989 1.038,990 6.632,991 4.455,992 6.2,993 1.274,994 7.388,995 3.429,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.478,1002 1.08,1003 9.004,1004 3.223,1005 6.071,1006 7.251,1007 0.607,1008 10.5,1009 5.927,1010 8.796,1011 1,1012 10.682,1013 2.385,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.186,1019 10.152,1020 0.947,1021 12.403,1022 2.172,1023 7.889,1024 9.764,1025 0.359,1026 14.738,1027 7.69,1028 11.535,1029 0.767,1030 14.153,1031 2.136,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.374,1037 12.939,1038 0.678,1039 15.924,1040 1.811,1041 9.871,1042 12.487,1043 0.214,1044 19.176,1045 9.624,1046 3.119,1047 0.618,1048 17.713,1049 1.642,1050 10.779,1051 13.766,1052 0.125,1053 21.376,1054 10.515,1055 2.768,1056 10.433,1057 19.514,1058 1.372,1059 11.951,1060 15.334,1061 0.129,1062 23.72,1063 11.663,1064 2.723,1065 8.885,1066 21.325,1067 4.518,1068 12.961,1069 16.729,1070 0.082,1071 25.991,1072 12.657,1073 2.517,1074 7.88,1075 23.146,1076 3.732,1077 14.09,1078 18.253,1079 0.079,1080 28.321,1081 13.766,1082 2.1,1083 6.965,1084 24.973,1085 3.444,1086 15.15,1087 19.703,1088 0.054,1089 30.625,1090 14.812,1091 1.915,1092 6.088,1093 26.807,1094 2.828,1095 16.265,1096 21.211,1097 0.048,1098 32.954,1099 15.909,1100 1.768,1101 5.578,1102 28.646,1103 2.72,1104 17.352,1105 22.688,1106 0.035,1107 35.274,1108 16.983,1109 13760,1110 21049,1111 24.038,1112 37.654,1113 50.708,1114 50.312,1115 50.317,1116 50.314,1117 50.345,1118 65.716,1119 2.915,1120 139.103,1121 48.304,1122 5.527,1123 5.202,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1132 1.491,1133 1.48,1134 1.48,1135 1.48,1136 1.481,1137 1.933,1138 0.086,1139 4.091,1140 1.421,1141 4.154,1142 4.193,1143 4.114,1144 4.061,1145 5.135,1146 4.069,1147 3.924,1148 3.983,1149 3.837,1150 3.8,1151 4.929,1152 3.803,1153 3.852,1154 3.913,1155 3.792,1156 3.713,1157 4.898,1158 3.713,1159 3.815,1160 3.882,1161 3.736,1162 3.577,1163 4.394,1164 3.617,1165 3.465,1166 3.542,1167 3.333,1168 3.305,1169 4.256,1170 3.305,1171 3.334,1172 3.413,1173 3.209,1174 3.116,1175 4.148,1176 3.127,1177 3.188,1178 3.274,1179 3.038,1180 2.979,1181 3.849,1182 2.982,1183 2.949,1184 3.041,1185 2.794,1186 2.774,1187 3.696,1188 2.77,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.569,1195 0.133,1196 3.202,1197 0.024,1198 6.566,1199 0.307,1200 4.1,1201 0.09,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.319,1212 2.049,1213 1.861,1214 1.82,1215 1.998,1216 1.999,1217 1.268,1218 2.003,1219 1.689,1220 1.629,1221 1.895,1222 1.881,1223 1.116,1224 1.887,1225 1.666,1226 1.606,1227 1.876,1228 1.835,1229 1.081,1230 1.857,1231 1.441,1232 1.366,1233 1.653,1234 1.693,1235 0.894,1236 1.678,1237 1.376,1238 1.311,1239 1.527,1240 1.595,1241 0.632,1242 1.588,1243 1.215,1244 1.123,1245 1.485,1246 1.488,1247 0.583,1248 1.499,1249 1.078,1250 0.982,1251 1.352,1252 1.442,1253 0.5,1254 1.379,1255 4.234,1257 5.533,1258 3.434,1259 7.009,1260 5.687,1261 8.567,1262 7.678,1263 10.17,1271 7.799,1272 3.606,1275 0.732,1276 2.598,1280 35.418,1281 80.399,1282 211.042,1283 278.865,1284 304.475,1285 304.475,1286 304.475,1287 34.405,1288 8.085,1289 74.66,1290 74.66,1291 27,1292 12.536,1293 4.459,1294 3.524,1295 41.965,1296 150,1297 148,1298 0.133,1299 215.641,1300 354.3,1301 517.924,1302 44683,1304 20.175,1305 0.673,1306 0.568,1307 20.175,1308 17.037,1309 14.848,1310 0.437,1311 0.312,1312 10.474,1313 14.289,1314 10.278,1315 8.498,1316 14.848,1317 10.62,1318 12.936,1319 0.281,1320 0.176,1321 12.936,1322 8.105,1323 11.214,1324 0.184,1325 0.099,1326 11.214,1327 6.047,1328 9.419,1329 0.119,1330 0.055,1331 9.419,1332 4.35,1333 6.865,1334 0.077,1335 0.031,1336 6.865,1337 2.793,1338 0.218,1339 92.732,1340 0.204,1341 29.238,1342 0.342,1343 160,1344 386.891,1345 171.879,1346 384.261,1347 540.57,1348 364,1349 187,1350 410.603,1351 200.627,1352 419.42,1353 605.35,1354 394,1355 8.047} {0 CHEMBL161176,1 1.477,2 15.735,3 2.782,4 7.74,5 136.633,6 7.041,7 0.553,8 4.271,9 4.411,10 3.803,11 3.778,12 5.3,13 3.754,14 4.828,15 5.031,16 4.136,17 4.192,18 5.786,19 4.139,20 5.077,21 5.307,22 4.094,23 4.351,24 5.937,25 4.24,26 5.182,27 5.448,28 4.051,29 4.379,30 5.956,31 4.231,32 5.182,33 5.462,34 3.998,35 4.318,36 5.965,37 4.168,38 5.099,39 5.375,40 3.966,41 4.245,42 5.874,43 4.107,44 5.042,45 5.31,46 3.899,47 4.172,48 5.858,49 4.034,50 5.003,51 5.294,52 3.759,53 4.095,54 5.747,55 3.943,56 0.069,57 1.034,58 14.45,59 5.48,60 11.301,61 7.945,62 0.318,63 1.651,64 27.188,65 8.991,66 26.816,67 13.524,68 0.361,69 1.93,70 35.844,71 12.569,72 38.036,73 18.51,74 0.254,75 2.018,76 40.517,77 14.966,78 36.122,79 22.36,80 0.39,81 1.961,82 41.477,83 14.351,84 44.969,85 21.616,86 0.323,87 1.832,88 37.966,89 12.921,90 35.621,91 19.657,92 0.415,93 1.749,94 35.909,95 11.697,96 42.028,97 17.902,98 0.397,99 1.631,100 35.102,101 11.102,102 33.843,103 17.208,104 7,105 52,106 0.233,107 0.569,108 0.758,109 0.833,110 0.857,111 0.857,112 3.56,113 0.94,114 -4.44,115 -4.37,116 -4.12,119 40,120 1,121 2,125 6,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 9,171 2,172 5,174 1,176 6,178 9,181 1,182 5,186 5,189 7,193 9,197 2,199 5,203 11,206 2,211 4,215 8,218 1,222 2,225 1,226 6,229 2,233 1,236 1,237 5,240 1,244 3,249 1,252 1,256 4,259 2166,260 23.394,261 23.394,262 23.394,263 23.394,264 23.394,265 20.776,266 31.038,267 14.025,268 23.866,269 18.835,270 18.835,271 18.835,272 18.835,273 18.835,274 14.914,275 40.275,276 6.734,277 19.6,278 4.545,279 2.418,280 1.225,281 0.75,282 0.596,283 0.596,284 4.271,289 1,290 1184,291 3.536,294 185.45,295 349.253,298 158.591,302 2.488,303 18.527,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 72.5,315 535,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.197,327 6.095,328 3.753,329 2.786,330 3.731,331 0.916,332 8.884,333 2.705,334 4.104,335 3.069,336 5.71,337 3.689,338 2.752,339 3.687,340 0.8,341 8.087,342 2.578,343 3.692,344 2.885,345 5.468,346 3.547,347 2.609,348 2.849,349 0.172,350 7.339,351 2.438,352 3.545,353 2.794,354 5.23,355 3.289,356 2.327,357 2.812,358 0.149,359 6.666,360 2.244,361 3.429,362 2.508,363 5.126,364 3.059,365 2.082,366 2.625,368 6.004,369 2.026,370 3.269,371 2.186,372 4.876,373 2.977,374 2.007,375 2.588,377 5.642,378 1.935,379 3.242,380 2.083,381 4.514,382 2.734,383 1.776,384 2.394,386 4.655,387 1.705,388 3.023,389 1.795,390 4.355,391 2.712,392 1.718,393 2.082,395 4.374,396 1.684,397 2.741,398 1.369,399 4.133,400 2.311,401 1.327,402 1.846,404 3.481,405 1.305,406 2.655,407 1.255,408 3.494,409 2.184,410 1.188,411 1.722,413 2.62,414 1.183,415 2.426,416 1.157,417 3.466,418 2.083,419 1.118,420 1.4,422 2.521,423 1.076,424 2.256,425 1.146,426 3.414,427 1.967,428 1,429 1.197,431 2.275,432 0.965,433 2.118,434 0.933,435 3.317,436 1.86,437 0.895,438 1,440 2.097,441 0.862,442 2,443 0.675,444 3.179,445 1.562,446 0.618,447 0.927,449 1.47,450 0.578,451 16.133,452 0.475,453 0.708,454 0.021,455 43,456 1.265,457 20,458 0.588,459 23,460 0.676,461 30.072,462 0.884,463 36.667,464 0.564,465 31.201,466 0.918,467 8.537,468 0.251,469 8.099,470 0.238,471 0.052,473 0.291,479 0.815,480 1.47,481 0.831,482 1.156,483 0.551,484 1.017,485 1.008,486 1.075,487 0.963,488 0.944,489 0.539,490 0.936,491 1.126,492 1.016,493 1.148,494 1.07,495 1.038,496 1.107,497 0.609,498 1.077,499 0.944,500 1.122,501 0.439,502 1.082,503 0.782,504 0.94,505 0.942,506 1,507 0.78,508 0.994,509 0.782,510 1.012,511 0.919,512 1.008,513 0.652,514 0.984,515 0.923,516 1.075,517 1.05,518 1.075,519 0.909,520 1.08,521 0.925,522 0.859,523 1.026,524 0.936,525 0.707,526 0.976,527 6.5,528 0.153,529 2.889,530 1.632,531 1.228,532 0.882,533 0.645,534 0.32,535 0.246,536 0.179,537 21178,538 51499,539 2.163,540 47.7,541 2,542 19,543 1,544 2,545 2,546 3,547 2,550 1.752,551 2.082,552 3.914,553 0.177,559 96.011,560 1.477,561 3.604,562 4.797,563 5.272,564 5.426,565 5.426,566 3.363,567 4.433,568 5.06,569 4.137,570 2320.77,571 8.826,572 38817.4,577 391.454,578 1.166,579 5.043,580 0.171,581 0.006,582 0.056,583 0.034,584 0.027,585 0.021,586 0.016,587 0.009,588 0.008,589 0.006,590 0.353,591 0.17,592 0.88,593 0.689,594 188.256,595 0.043,596 -0.22,597 0.077,598 -0.081,599 0.049,600 -0.013,601 -0.004,602 0.085,603 -0.006,604 0.054,605 0.104,606 0.031,607 -0.175,608 0.031,609 -0.189,610 -0.052,611 -0.116,612 -0.112,613 0.029,614 -0.128,615 0.005,616 -0.088,617 0.093,618 -0.051,619 0.031,620 -0.012,621 0.035,623 0.006,624 0.014,625 0.023,626 -0.069,627 0.057,628 -0.012,629 0.039,630 0.021,631 0.029,632 -0.105,633 -0.064,634 -0.1,635 -0.046,636 -0.098,637 -0.04,638 0.088,639 -0.033,640 0.019,641 -0.05,642 0.001,643 1.7,644 4.306,645 0.765,646 43.042,647 0.995,648 1.134,649 3.208,650 10.291,651 0.656,652 3.664,653 3.97,654 4.22,655 4.489,656 4.654,657 4.745,658 4.875,659 5.011,660 5.037,661 5.1,662 9.305,663 0.618,664 457.64,665 3.664,666 5.198,667 6.038,668 6.905,669 7.758,670 8.63,671 9.49,672 10.364,673 11.229,674 12.105,675 10.8,678 2,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 65,716 22,717 2,718 38,720 69,721 26,722 16,723 5,724 7,730 5,731 6,736 1,743 2,745 17,746 9,750 1,755 1,759 1,764 31,765 6,766 2,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,815 2,819 4,823 1,827 34,833 8,834 1,838 2,844 1,847 1.5,850 1,854 16.333,855 11.75,856 7.417,857 3.977,858 3.797,859 1.452,860 1.013,861 7.048,862 12.196,863 3.922,864 4.5,865 5.058,866 5.659,867 6.095,868 6.444,869 6.864,870 7.282,871 7.435,872 7.654,873 1,874 48,875 12.547,877 5.259,878 7.549,879 24.651,881 20.48,883 2.049,884 69.667,888 341.362,889 140.453,890 76.27,892 25.145,895 140.453,896 366.507,897 76.27,898 8.825,899 35.714,900 75.381,901 103.955,902 39.391,903 13.915,904 306.049,906 341.362,907 216.723,908 25.145,911 317.82,912 48.687,915 86.71,916 96.688,917 33.326,919 341.362,920 101.415,921 140.453,924 341.362,925 39.01,926 109.591,927 34.796,928 58.471,929 341.362,930 101.415,931 140.453,933 0.575,934 0.323,935 0.179,936 0.092,937 25,938 10,939 0.116,940 8,941 1,942 1.077,943 4.779,944 305.543,945 0.077,946 26,947 164.974,951 22.788,952 10.517,953 5.755,954 2.445,955 82.73,956 20.179,957 7.828,958 3.408,961 4.555,962 1.936,963 34.796,964 583.23,965 49.5,970 11.306,974 -0.033,975 64.643,976 73.68,977 0.245,978 0.598,979 0.797,980 0.875,981 0.901,982 0.901,983 5.149,984 1.776,985 5.999,986 5.642,987 4.654,988 5.187,989 2.253,990 6.763,991 4.579,992 6.329,993 1.718,994 7.52,995 4.655,996 4.111,997 4.89,998 1.738,999 7.535,1000 4.004,1001 7.615,1002 1.327,1003 9.137,1004 4.374,1005 6.201,1006 7.351,1007 2.979,1008 10.616,1009 6.051,1010 8.936,1011 1.188,1012 10.811,1013 3.481,1014 6.494,1015 7.957,1016 3.069,1017 12.251,1018 6.312,1019 10.29,1020 1.118,1021 12.525,1022 2.62,1023 8.009,1024 9.849,1025 4.054,1026 14.82,1027 7.795,1028 11.67,1029 1,1030 14.266,1031 2.521,1032 8.703,1033 10.902,1034 4.417,1035 16.832,1036 8.462,1037 13.069,1038 0.895,1039 16.028,1040 2.275,1041 9.975,1042 12.557,1043 5.254,1044 19.228,1045 9.708,1046 3.118,1047 0.618,1048 17.806,1049 2.097,1050 10.872,1051 13.835,1052 5.751,1053 21.412,1054 10.584,1055 2.786,1056 10.431,1057 19.597,1058 1.47,1059 12.039,1060 15.39,1061 6.502,1062 23.752,1063 11.73,1064 2.752,1065 8.884,1066 21.4,1067 4.518,1068 13.038,1069 16.78,1070 7.069,1071 26.014,1072 12.713,1073 2.609,1074 8.087,1075 23.212,1076 3.731,1077 14.163,1078 18.296,1079 7.771,1080 28.34,1081 13.821,1082 2.327,1083 7.339,1084 25.032,1085 3.687,1086 15.215,1087 19.741,1088 8.375,1089 30.639,1090 14.86,1091 2.082,1092 6.666,1093 26.859,1094 2.849,1095 16.325,1096 21.244,1097 9.051,1098 32.965,1099 15.956,1100 2.007,1101 6.004,1102 28.692,1103 2.812,1104 17.406,1105 22.717,1106 9.674,1107 35.282,1108 17.025,1109 19530,1110 30617,1111 26.235,1112 42.631,1113 56.749,1114 56.761,1115 56.703,1116 56.2,1117 56.26,1118 72.855,1119 7.89,1120 156.866,1121 54.197,1122 5.568,1123 5.533,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 12.001,1132 1.493,1133 1.494,1134 1.492,1135 1.479,1136 1.481,1137 1.917,1138 0.208,1139 4.128,1140 1.426,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 7.43,1146 4.07,1147 3.964,1148 4.01,1149 3.895,1150 3.874,1151 5.135,1152 3.874,1153 3.836,1154 3.909,1155 3.789,1156 3.638,1157 4.927,1158 3.651,1159 3.801,1160 3.868,1161 3.698,1162 3.573,1163 4.75,1164 3.608,1165 3.549,1166 3.611,1167 3.441,1168 3.369,1169 4.366,1170 3.371,1171 3.496,1172 3.551,1173 3.363,1174 3.293,1175 4.255,1176 3.311,1177 3.289,1178 3.357,1179 3.183,1180 3.121,1181 4.022,1182 3.126,1183 3.144,1184 3.229,1185 2.993,1186 2.971,1187 3.951,1188 2.963,1189 0.12,1190 0.093,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.533,1197 0.05,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.066,1210 2.07,1211 1.368,1212 2.072,1213 1.93,1214 1.897,1215 2.039,1216 2.048,1217 1.259,1218 2.046,1219 1.784,1220 1.718,1221 1.971,1222 1.969,1223 1.146,1224 1.974,1225 1.64,1226 1.58,1227 1.848,1228 1.821,1229 1.082,1230 1.833,1231 1.453,1232 1.4,1233 1.708,1234 1.705,1235 0.825,1236 1.702,1237 1.404,1238 1.333,1239 1.583,1240 1.661,1241 0.758,1242 1.641,1243 1.317,1244 1.25,1245 1.513,1246 1.526,1247 0.715,1248 1.528,1249 1.153,1250 1.064,1251 1.49,1252 1.442,1253 0.617,1254 1.429,1255 4.344,1257 5.652,1258 3.045,1259 7.138,1260 5.283,1261 8.707,1262 7.286,1263 10.322,1265 1.543,1271 8.562,1272 2.871,1276 5.067,1280 40.186,1281 96.011,1282 234.263,1283 311.828,1284 342.699,1285 352.699,1286 352.699,1287 45.497,1288 8.399,1289 82.08,1290 82.08,1291 28,1292 12.646,1293 4.524,1294 3.644,1295 50.517,1296 195,1297 170,1298 0.124,1299 245.487,1300 412.35,1301 590.748,1302 67062,1304 23.33,1305 0.686,1306 0.576,1307 23.33,1308 19.575,1309 16.636,1310 0.438,1311 0.313,1312 11.734,1313 15.973,1314 11.461,1315 9.483,1316 16.636,1317 11.902,1318 14.961,1319 0.288,1320 0.173,1321 14.961,1322 9.016,1323 12.185,1324 0.182,1325 0.097,1326 12.185,1327 6.507,1328 10.489,1329 0.119,1330 0.054,1331 10.489,1332 4.741,1333 7.959,1334 0.077,1335 0.031,1336 7.959,1337 3.263,1338 0.205,1339 104.056,1340 0.195,1341 32.49,1342 0.313,1343 180,1344 462.627,1345 195.453,1346 454.665,1347 630.56,1348 428,1349 209,1350 473.366,1351 225.177,1352 481.685,1353 694.48,1354 452,1355 9.699} {0 CHEMBL161192,1 1.36,2 14.742,3 3.354,4 11.247,5 127.731,6 6.797,7 0.6,8 4.202,9 4.345,10 3.711,11 3.738,12 5.176,13 3.7,14 4.768,15 4.971,16 4.028,17 4.163,18 5.649,19 4.091,20 5.016,21 5.259,22 3.933,23 4.281,24 5.766,25 4.136,26 5.112,27 5.404,28 3.852,29 4.237,30 5.803,31 4.069,32 5.013,33 5.301,34 3.826,35 4.167,36 5.708,37 4.011,38 4.961,39 5.233,40 3.847,41 4.158,42 5.684,43 4.015,44 4.956,45 5.226,46 3.85,47 4.15,48 5.692,49 4.01,50 4.941,51 5.222,52 3.737,53 4.095,54 5.67,55 3.937,56 0.092,57 0.958,58 14.069,59 5.379,60 11.189,61 7.857,62 0.267,63 1.565,64 26.046,65 8.938,66 22.21,67 13.423,68 0.215,69 1.804,70 33.754,71 12.747,72 23.956,73 18.943,74 0.329,75 1.856,76 38.492,77 13.375,78 32.174,79 20.406,80 0.279,81 1.696,82 34.675,83 12.338,84 27.574,85 18.702,86 0.266,87 1.656,88 32.622,89 11.597,90 25.245,91 17.537,92 0.266,93 1.654,94 32.462,95 11.415,96 25.962,97 17.321,98 0.31,99 1.599,100 32.272,101 11.165,102 28.047,103 16.973,105 47,106 0.218,107 0.561,108 0.763,109 0.873,110 0.888,111 0.888,112 3.471,113 0.961,114 -4.87,115 -4.78,116 -4.49,119 41,121 2,122 1,125 6,140 8,141 4,146 1,149 1,150 1,158 1,164 1,169 13,171 2,172 4,176 5,178 12,182 4,186 6,189 8,193 6,195 1,197 3,199 6,203 6,206 1,208 1,211 6,215 7,218 1,220 1,222 6,226 5,229 1,231 3,233 5,236 1,237 3,240 1,242 1,244 6,248 1,249 1,253 1,254 1,256 5,259 1786,260 21.739,261 21.739,262 21.739,263 21.739,264 21.739,265 19.238,266 26.416,267 13.208,268 22.124,269 17.364,270 17.364,271 17.364,272 17.364,273 17.364,274 13.703,275 36.738,276 6.378,277 17.972,278 4.571,279 2.431,280 1.172,281 0.484,282 0.393,283 0.393,284 4.186,288 1,289 1,290 1023,291 3.162,294 255.052,295 204.572,298 137.15,302 2.395,303 12.864,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 65,315 457,316 4.552,317 3.19,318 6.548,319 4.084,320 3.097,321 4.504,322 0.8,323 10.366,324 3.057,325 3.979,326 2.961,327 5.648,328 3.698,329 2.74,330 3.522,331 0.657,332 7.884,333 2.628,334 3.899,335 2.834,336 5.565,337 3.576,338 2.624,339 3.444,340 0.522,341 7.639,342 2.506,343 3.74,344 2.754,345 5.34,346 3.509,347 2.517,348 3.058,350 6.965,351 2.495,352 3.607,353 2.336,354 5.157,355 3.184,356 2.209,357 2.753,359 6.242,360 2.144,361 3.336,362 2.197,363 4.999,364 2.999,365 2.04,366 2.646,368 5.882,369 1.953,370 3.024,371 2.031,372 4.878,373 2.829,374 1.865,375 2.127,377 5.564,378 1.789,379 2.907,380 1.672,381 4.146,382 2.524,383 1.538,384 1.991,386 3.484,387 1.516,388 2.73,389 1.341,390 3.676,391 2.258,392 1.286,393 1.826,395 3.224,396 1.249,397 2.581,398 1.268,399 3.445,400 2.086,401 1.163,402 1.614,404 2.574,405 1.072,406 2.5,407 1.214,408 3.383,409 2.017,410 1.07,411 1.5,413 2.372,414 1.01,415 2.247,416 1,417 3.277,418 2,419 1,420 1.197,422 2.136,423 1,424 2.139,425 0.933,426 3.247,427 1.789,428 0.834,429 1.064,431 1.933,432 0.795,433 2.118,434 0.818,435 3.237,436 1.678,437 0.707,438 0.927,440 1.687,441 0.685,442 1.767,443 0.618,444 3.045,445 1.532,446 0.618,447 0.739,449 1.372,450 0.564,451 14.9,452 0.481,453 0.512,454 0.017,455 38.5,456 1.242,457 18,458 0.581,459 20.5,460 0.661,461 26.834,462 0.866,463 33.1,464 0.543,465 25.641,466 0.827,467 7.529,468 0.243,469 7.803,470 0.252,473 0.255,479 0.936,480 1.361,481 0.873,482 1.106,483 0.761,484 1.003,485 1.336,486 1.033,487 1.068,488 0.967,489 0.972,490 0.986,491 0.893,492 1.177,493 1.119,494 1.219,495 0.836,496 1.197,497 0.932,498 0.948,499 0.976,500 0.975,501 0.836,502 0.979,503 0.819,504 0.95,505 0.901,506 0.951,507 0.752,508 0.937,509 0.907,510 0.998,511 0.961,512 0.997,513 0.905,514 0.987,515 0.935,516 1.028,517 0.968,518 1.01,519 0.862,520 0.995,521 0.982,522 0.955,523 1.033,524 1.008,525 0.985,526 1.023,527 5,528 0.074,529 2.222,530 1.458,531 0.849,532 0.563,533 0.475,534 0.31,535 0.164,536 0.114,537 16712,538 35582,539 2.221,540 49.2,542 20,543 1,544 2,545 2,547 4,548 1,550 1.73,551 2.188,552 3.819,553 0.161,555 1,559 82.962,560 1.36,561 3.5,562 4.758,563 5.447,564 5.537,565 5.537,566 3.3,567 4.438,568 4.922,569 4.026,570 1871.92,571 8.564,572 28887.4,574 1,577 361.775,578 0.824,579 4.929,580 0.143,581 0.003,582 0.047,583 0.036,584 0.024,585 0.016,586 0.013,587 0.008,588 0.005,589 0.005,590 0.3,591 0.17,592 0.88,594 166.188,595 0.108,596 -0.132,597 0.081,598 -0.037,599 0.17,600 0.01,601 -0.108,602 0.124,603 -0.083,604 0.032,605 -0.009,606 -0.014,607 -0.08,608 -0.171,609 -0.162,610 -0.192,611 -0.048,612 -0.187,613 -0.004,614 -0.016,615 0.01,616 0.001,617 0.031,618 0.005,619 0.056,620 -0.017,621 0.079,622 0.037,623 0.092,624 0.056,625 0.013,626 -0.029,627 0.017,628 -0.005,629 -0.027,630 0.005,631 0.013,632 -0.053,633 0.013,634 -0.021,635 0.021,636 -0.007,637 0.008,638 0.009,639 -0.046,640 -0.035,641 -0.044,642 -0.044,643 0.746,644 1.222,645 0.806,646 40.235,647 0.987,648 1.131,649 3.643,650 13.271,651 0.659,652 3.584,653 3.871,654 4.127,655 4.382,656 4.489,657 4.554,658 4.718,659 4.89,660 4.963,661 5.069,662 8.579,663 0.614,664 414.61,665 3.584,666 5.106,667 5.943,668 6.799,669 7.648,670 8.51,671 9.366,672 10.231,673 11.093,674 11.961,675 9.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 35,720 65,721 25,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 2,745 16,746 9,747 1,761 1,764 30,765 4,766 2,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,827 31,833 8,834 1,837 1,838 1,844 1,854 14.167,855 10.55,856 6.806,857 3.741,858 3.556,859 1.437,860 1.021,861 6.33,862 11.699,863 3.839,864 4.407,865 4.968,866 5.539,867 5.924,868 6.167,869 6.594,870 7.02,871 7.17,872 7.497,873 0.9,874 40,875 11.46,877 4.811,878 7.392,879 22.883,881 19.298,883 1.892,884 58.667,887 1,888 329.591,889 134.072,890 73.146,895 134.072,896 329.591,897 73.146,899 17.703,900 102.868,901 65.609,902 42.435,903 13.915,904 294.278,906 329.591,907 207.217,911 270.735,912 58.856,915 74.638,916 99.131,917 33.449,919 329.591,920 73.146,921 134.072,924 329.591,925 31.977,926 106.995,927 34.796,928 33.449,929 329.591,930 73.146,931 134.072,933 0.57,934 0.326,935 0.178,936 0.085,937 23,938 8,939 0.138,940 9,941 1,942 1.08,943 4.63,944 268.566,945 0.08,946 25,947 149.58,951 20.289,952 9.672,953 5.173,954 2.541,955 54.584,956 22.826,957 8.259,958 3.439,961 4.019,962 1.865,963 34.796,964 536.808,965 45.5,975 60.214,976 68.972,977 0.229,978 0.59,979 0.802,980 0.918,981 0.934,982 0.934,983 5.051,984 1.538,985 5.883,986 5.564,987 4.554,988 5.094,989 1.214,990 6.624,991 4.491,992 6.214,993 1.286,994 7.386,995 3.484,996 3.892,997 4.677,998 0.325,999 7.334,1000 3.821,1001 7.486,1002 1.163,1003 8.984,1004 3.224,1005 6.075,1006 7.244,1007 0.684,1008 10.425,1009 5.961,1010 8.796,1011 1.07,1012 10.642,1013 2.574,1014 6.312,1015 7.789,1016 0.268,1017 12.038,1018 6.188,1019 10.142,1020 1,1021 12.341,1022 2.372,1023 7.862,1024 9.731,1025 0.387,1026 14.599,1027 7.707,1028 11.514,1029 0.834,1030 14.069,1031 2.136,1032 8.525,1033 10.751,1034 0.188,1035 16.609,1036 8.361,1037 12.907,1038 0.707,1039 15.82,1040 1.933,1041 9.81,1042 12.432,1043 0.223,1044 19.003,1045 9.622,1046 3.097,1047 0.618,1048 17.588,1049 1.687,1050 10.69,1051 13.698,1052 0.125,1053 21.194,1054 10.492,1055 2.74,1056 10.366,1057 19.372,1058 1.372,1059 11.86,1060 15.268,1061 0.132,1062 23.538,1063 11.645,1064 2.624,1065 7.884,1066 21.168,1067 4.504,1068 12.85,1069 16.656,1070 0.082,1071 25.81,1072 12.626,1073 2.517,1074 7.639,1075 22.975,1076 3.522,1077 13.975,1078 18.182,1079 0.079,1080 28.143,1081 13.738,1082 2.209,1083 6.965,1084 24.792,1085 3.444,1086 15.023,1087 19.63,1088 0.054,1089 30.45,1090 14.777,1091 2.04,1092 6.242,1093 26.617,1094 3.058,1095 16.132,1096 21.139,1097 0.049,1098 32.782,1099 15.876,1100 1.865,1101 5.882,1102 28.45,1103 2.753,1104 17.21,1105 22.616,1106 0.035,1107 35.106,1108 16.945,1109 15213,1110 22368,1111 24.731,1112 40.171,1113 51.788,1114 51.417,1115 51.319,1116 51.378,1117 51.425,1118 66.758,1119 3.958,1120 140.641,1121 49.711,1122 5.511,1123 5.19,1124 6.35,1125 5.135,1126 5.097,1127 7.504,1128 1.457,1129 17.034,1130 5.057,1132 1.48,1133 1.469,1134 1.466,1135 1.468,1136 1.469,1137 1.907,1138 0.113,1139 4.018,1140 1.42,1141 4.147,1142 4.184,1143 4.102,1144 4.063,1145 5.09,1146 4.068,1147 3.937,1148 3.987,1149 3.85,1150 3.857,1151 4.946,1152 3.85,1153 3.868,1154 3.944,1155 3.815,1156 3.725,1157 4.759,1158 3.723,1159 3.847,1160 3.904,1161 3.747,1162 3.591,1163 4.386,1164 3.633,1165 3.507,1166 3.572,1167 3.396,1168 3.373,1169 4.28,1170 3.375,1171 3.391,1172 3.471,1173 3.258,1174 3.183,1175 4.119,1176 3.19,1177 3.244,1178 3.329,1179 3.081,1180 3.064,1181 3.847,1182 3.059,1183 2.989,1184 3.068,1185 2.832,1186 2.849,1187 3.685,1188 2.836,1189 0.13,1190 0.091,1191 0.187,1192 0.117,1193 0.088,1194 4.552,1195 0.129,1196 3.19,1197 0.023,1198 6.548,1199 0.296,1200 4.084,1201 0.087,1202 3.097,1203 4.504,1204 0.8,1205 10.366,1206 3.057,1207 1.966,1208 1.943,1209 2.057,1210 2.051,1211 1.32,1212 2.054,1213 1.913,1214 1.881,1215 2.047,1216 2.01,1217 1.285,1218 2.025,1219 1.694,1220 1.634,1221 1.911,1222 1.883,1223 1.151,1224 1.891,1225 1.67,1226 1.61,1227 1.88,1228 1.84,1229 1.141,1230 1.864,1231 1.466,1232 1.388,1233 1.656,1234 1.748,1235 0.912,1236 1.716,1237 1.425,1238 1.352,1239 1.616,1240 1.648,1241 0.772,1242 1.649,1243 1.265,1244 1.185,1245 1.536,1246 1.506,1247 0.709,1248 1.526,1249 1.212,1250 1.133,1251 1.391,1252 1.494,1253 0.531,1254 1.464,1255 4.263,1257 5.557,1258 3.434,1259 7.022,1260 5.687,1261 8.566,1262 7.67,1263 10.156,1271 8.71,1272 3.639,1275 0.751,1276 2.618,1280 37.45,1281 82.962,1282 213.479,1283 290.265,1284 332.265,1285 337.775,1286 337.775,1287 36.76,1288 8.143,1289 61.77,1290 61.77,1291 27,1292 12.507,1293 4.459,1294 3.524,1295 43.986,1296 160,1297 159,1298 0.13,1299 228.031,1300 377.9,1301 548.156,1302 48914,1304 20.882,1305 0.674,1306 0.577,1307 20.882,1308 17.874,1309 15.332,1310 0.438,1311 0.32,1312 11.085,1313 14.852,1314 10.852,1315 8.984,1316 15.332,1317 11.216,1318 13.384,1319 0.285,1320 0.183,1321 13.384,1322 8.609,1323 11.357,1324 0.186,1325 0.104,1326 11.357,1327 6.315,1328 9.551,1329 0.121,1330 0.058,1331 9.551,1332 4.61,1333 6.968,1334 0.079,1335 0.034,1336 6.968,1337 3.008,1338 0.213,1339 95.123,1340 0.201,1341 30.138,1342 0.332,1343 164,1344 371.246,1345 174.491,1346 371.1,1347 522.37,1348 352,1349 190,1350 393.786,1351 202.323,1352 404.783,1353 584.46,1354 380,1355 8.403} {0 CHEMBL161410,1 1.36,2 14.097,3 3.328,4 11.076,5 127.592,6 6.797,7 0.6,8 4.202,9 4.345,10 3.711,11 3.738,12 5.188,13 3.7,14 4.766,15 4.966,16 4.045,17 4.169,18 5.644,19 4.099,20 5.032,21 5.276,22 3.986,23 4.304,24 5.797,25 4.169,26 5.125,27 5.401,28 3.925,29 4.298,30 5.857,31 4.136,32 5.114,33 5.411,34 3.866,35 4.236,36 5.793,37 4.068,38 5.005,39 5.28,40 3.871,41 4.192,42 5.716,43 4.046,44 5.016,45 5.294,46 3.829,47 4.171,48 5.747,49 4.014,50 4.96,51 5.255,52 3.63,53 4.061,54 5.639,55 3.88,56 0.092,57 0.958,58 14.069,59 5.379,60 12.99,61 7.857,62 0.249,63 1.565,64 25.88,65 9.093,66 21.364,67 13.586,68 0.24,69 1.844,70 34.397,71 12.71,72 25.862,73 18.975,74 0.299,75 1.923,76 38.518,77 13.905,78 33.866,79 20.966,80 0.336,81 1.844,82 38.597,83 13.718,84 32.647,85 20.784,86 0.25,87 1.716,88 34.13,89 12.117,90 25.622,91 18.39,92 0.342,93 1.732,94 34.72,95 12.103,96 30.25,97 18.341,98 0.262,99 1.57,100 33.072,101 11.44,102 28.155,103 17.527,104 2,105 48,106 0.218,107 0.563,108 0.768,109 0.863,110 0.87,111 0.87,112 3.471,113 0.962,114 -5.14,115 -5.04,116 -4.71,119 41,120 1,121 2,122 1,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 6,178 11,182 3,186 6,189 9,193 6,195 1,197 2,199 8,203 6,206 2,208 1,211 8,215 5,220 1,222 6,225 1,226 5,229 2,231 3,233 5,237 2,242 1,244 5,248 2,249 3,253 1,254 1,256 6,259 1681,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.17,266 25.322,267 12.905,268 21.979,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.754,275 30.628,276 6.17,277 17.95,278 4.571,279 2.419,280 1.14,281 0.549,282 0.504,283 0.504,284 4.183,288 1,289 1,290 978,291 3.317,294 251.189,295 203.782,298 136.461,302 2.229,303 12.421,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 437,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 3.097,327 6.096,328 3.787,329 2.81,330 3.732,331 0.657,332 8.885,333 2.752,334 4.048,335 2.956,336 6.02,337 3.7,338 2.758,339 3.538,341 8.551,342 2.614,343 3.737,344 2.865,345 5.644,346 3.657,347 2.699,348 2.828,350 7.868,351 2.568,352 3.426,353 2.255,354 5.139,355 3.073,356 2.103,357 2.722,359 6.09,360 2.038,361 3.251,362 2.097,363 4.884,364 2.894,365 1.932,366 2.587,368 5.593,369 1.852,370 3.164,371 1.852,372 4.514,373 2.749,374 1.781,375 2.333,377 4.654,378 1.725,379 2.955,380 1.79,381 4.278,382 2.714,383 1.747,384 1.994,386 4.157,387 1.679,388 2.725,389 1.328,390 4.121,391 2.252,392 1.275,393 1.822,395 3.424,396 1.244,397 2.5,398 1.272,399 3.5,400 2.133,401 1.159,402 1.5,404 2.674,405 1.126,406 2.453,407 1.024,408 3.368,409 2,410 1,411 1.443,413 2.211,414 1,415 2.396,416 1,417 3.299,418 1.927,419 0.966,420 1.353,422 2.136,423 0.926,424 2.14,425 0.888,426 3.247,427 1.791,428 0.819,429 1.014,431 1.933,432 0.794,433 2.118,434 0.756,435 3.234,436 1.647,437 0.685,438 0.927,440 1.657,441 0.658,442 1.827,443 0.618,444 3.075,445 1.518,446 0.618,447 0.782,449 1.372,450 0.556,451 14.9,452 0.481,453 0.585,454 0.019,455 38.5,456 1.242,457 18,458 0.581,459 20.5,460 0.661,461 27.841,462 0.898,463 33.1,464 0.543,465 25.904,466 0.836,467 7.395,468 0.239,469 7.864,470 0.254,471 0.034,473 0.289,479 0.936,480 1.361,481 0.873,482 1.106,483 0.77,484 1.003,485 1.215,486 1.069,487 1.019,488 0.984,489 0.845,490 0.981,491 0.978,492 1.101,493 1.084,494 1.126,495 0.779,496 1.117,497 0.86,498 1.041,499 1.015,500 1.077,501 0.836,502 1.064,503 0.768,504 0.897,505 0.889,506 0.931,507 0.801,508 0.924,509 0.912,510 1.019,511 0.942,512 0.991,513 0.813,514 0.973,515 0.914,516 0.984,517 1.026,518 1.039,519 0.902,520 1.043,521 0.964,522 0.996,523 1.013,524 1.019,525 1.048,526 1.021,527 5,528 0.121,529 3.333,530 1.389,531 1.064,532 0.788,533 0.505,534 0.233,535 0.213,536 0.1,537 16172,538 34400,539 2.2,540 49.2,542 17,543 1,544 2,545 2,547 7,548 1,550 1.73,551 2.138,552 3.765,553 0.161,555 1,559 82.962,560 1.36,561 3.512,562 4.791,563 5.381,564 5.427,565 5.427,566 3.244,567 4.632,568 4.926,569 3.967,570 1844.67,571 8.569,572 28053.9,574 1,577 361.775,578 1.058,579 4.918,580 0.143,581 0.005,582 0.069,583 0.032,584 0.027,585 0.021,586 0.013,587 0.007,588 0.008,589 0.004,590 0.33,591 0.17,592 0.88,593 0.32,594 165.348,595 0.108,596 -0.132,597 0.081,598 -0.037,599 0.17,600 0.01,601 -0.05,602 0.081,603 -0.04,604 0.026,605 0.046,606 -0.001,607 -0.104,608 -0.086,609 -0.12,610 -0.107,611 0.012,612 -0.114,613 0.006,614 -0.088,615 -0.042,616 -0.08,617 0.019,618 -0.068,619 0.101,620 0.017,621 0.093,622 0.051,623 0.072,624 0.068,625 -0.018,626 -0.061,627 0.036,628 0.002,629 0.014,630 0.021,631 0.072,632 -0.017,633 -0.04,634 -0.063,635 -0.003,636 -0.063,637 -0.051,638 -0.075,639 -0.029,640 -0.046,641 -0.108,642 -0.037,643 0.929,644 1.231,645 0.806,646 36.262,647 0.987,648 1.131,649 3.911,650 15.296,651 0.659,652 3.584,653 3.892,654 4.174,655 4.419,656 4.543,657 4.635,658 4.787,659 4.934,660 4.99,661 5.056,662 8.305,663 0.614,664 414.61,665 3.584,666 5.118,667 5.969,668 6.834,669 7.698,670 8.567,671 9.436,672 10.309,673 11.182,674 12.058,675 9.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 35,720 65,721 25,722 16,723 4,724 8,730 5,731 6,736 1,740 1,741 1,743 3,745 16,746 9,747 1,761 1,764 30,765 4,766 2,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,823 1,827 31,833 6,834 1,837 2,838 1,844 1,854 14.5,855 10.883,856 6.778,857 3.816,858 3.556,859 1.437,860 1.013,861 6.054,862 11.689,863 3.839,864 4.419,865 5.016,866 5.594,867 6.016,868 6.348,869 6.8,870 7.217,871 7.419,872 7.658,873 1,874 43,875 11.451,877 4.827,878 7.403,879 22.823,881 19.335,883 1.903,884 59,887 1,888 329.591,889 138.257,890 73.146,895 138.257,896 329.591,897 73.146,898 8.825,899 13.492,900 102.868,901 74.105,902 33.51,903 13.915,904 294.278,906 329.591,907 211.402,911 235.422,912 94.169,915 79.374,916 98.702,917 33.326,919 329.591,920 73.146,921 138.257,924 329.591,925 27.337,926 115.943,927 34.796,928 33.326,929 329.591,930 73.146,931 138.257,933 0.577,934 0.339,935 0.182,936 0.087,937 24,938 9,939 0.123,940 8,941 1,942 1.08,943 4.532,944 273.831,945 0.08,946 25,947 145.58,951 20.289,952 9.25,953 4.68,954 2.477,955 54.461,956 22.825,957 7.842,958 3.424,961 3.838,962 1.949,963 34.796,964 540.993,965 45.5,975 60.214,976 68.972,977 0.229,978 0.592,979 0.808,980 0.907,981 0.915,982 0.915,983 5.064,984 1.747,985 5.927,986 4.654,987 4.575,988 5.106,989 1.038,990 6.703,991 4.506,992 6.238,993 1.275,994 7.459,995 4.157,996 4.007,997 4.732,998 0.325,999 7.516,1000 3.911,1001 7.52,1002 1.159,1003 9.09,1004 3.424,1005 6.133,1006 7.274,1007 0.607,1008 10.606,1009 6.003,1010 8.842,1011 1,1012 10.783,1013 2.674,1014 6.463,1015 7.862,1016 0.268,1017 12.292,1018 6.304,1019 10.202,1020 0.966,1021 12.515,1022 2.211,1023 7.974,1024 9.786,1025 0.359,1026 14.855,1027 7.789,1028 11.587,1029 0.819,1030 14.276,1031 2.136,1032 8.708,1033 10.836,1034 0.188,1035 16.893,1036 8.497,1037 12.994,1038 0.685,1039 16.056,1040 1.933,1041 9.973,1042 12.506,1043 0.214,1044 19.284,1045 9.741,1046 3.119,1047 0.618,1048 17.85,1049 1.657,1050 10.898,1051 13.787,1052 0.125,1053 21.474,1054 10.643,1055 2.81,1056 10.433,1057 19.655,1058 1.372,1059 12.061,1060 15.351,1061 0.129,1062 23.809,1063 11.788,1064 2.758,1065 8.885,1066 21.469,1067 4.518,1068 13.077,1069 16.744,1070 0.082,1071 26.068,1072 12.785,1073 2.699,1074 8.551,1075 23.291,1076 3.732,1077 14.2,1078 18.265,1079 0.079,1080 28.389,1081 13.891,1082 2.103,1083 7.868,1084 25.118,1085 3.538,1086 15.261,1087 19.714,1088 0.054,1089 30.683,1090 14.934,1091 1.932,1092 6.09,1093 26.95,1094 2.828,1095 16.371,1096 21.22,1097 0.048,1098 33.004,1099 16.028,1100 1.781,1101 5.593,1102 28.786,1103 2.722,1104 17.455,1105 22.696,1106 0.035,1107 35.317,1108 17.097,1109 14758,1110 21733,1111 24.444,1112 40.171,1113 52.536,1114 52.293,1115 52.427,1116 52.311,1117 52.352,1118 67.747,1119 2.915,1120 146.673,1121 50.542,1122 5.533,1123 5.202,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1131 7.488,1132 1.501,1133 1.494,1134 1.498,1135 1.495,1136 1.496,1137 1.936,1138 0.083,1139 4.191,1140 1.444,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.951,1148 3.999,1149 3.867,1150 3.872,1151 4.928,1152 3.866,1153 3.865,1154 3.923,1155 3.793,1156 3.726,1157 4.763,1158 3.724,1159 3.818,1160 3.888,1161 3.741,1162 3.577,1163 4.392,1164 3.618,1165 3.505,1166 3.583,1167 3.365,1168 3.33,1169 4.257,1170 3.33,1171 3.4,1172 3.466,1173 3.27,1174 3.263,1175 4.174,1176 3.255,1177 3.221,1178 3.302,1179 3.079,1180 3.028,1181 3.858,1182 3.031,1183 3.062,1184 3.164,1185 2.858,1186 2.856,1187 3.699,1188 2.843,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.569,1195 0.129,1196 3.202,1197 0.023,1198 6.566,1199 0.298,1200 4.1,1201 0.087,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.061,1210 2.052,1211 1.325,1212 2.049,1213 1.926,1214 1.895,1215 2.039,1216 2.025,1217 1.268,1218 2.039,1219 1.695,1220 1.635,1221 1.912,1222 1.883,1223 1.178,1224 1.89,1225 1.671,1226 1.611,1227 1.876,1228 1.842,1229 1.115,1230 1.865,1231 1.448,1232 1.373,1233 1.717,1234 1.693,1235 0.9,1236 1.682,1237 1.416,1238 1.343,1239 1.643,1240 1.624,1241 0.829,1242 1.652,1243 1.372,1244 1.306,1245 1.517,1246 1.586,1247 0.588,1248 1.581,1249 1.078,1250 0.982,1251 1.381,1252 1.442,1253 0.546,1254 1.379,1255 4.263,1257 5.572,1258 3.434,1259 7.059,1260 5.687,1261 8.625,1262 7.678,1263 10.236,1265 2.257,1271 6.909,1272 3.731,1275 1.135,1276 2.613,1280 37.45,1281 82.962,1282 214.234,1283 292.265,1284 328.265,1285 331.02,1286 331.02,1287 37.622,1288 8.132,1289 61.77,1290 61.77,1291 27,1292 12.597,1293 4.459,1294 3.524,1295 43.989,1296 157,1297 146,1298 0.134,1299 228.031,1300 377.9,1301 548.156,1302 46914,1304 21.045,1305 0.679,1306 0.582,1307 21.045,1308 18.037,1309 15.259,1310 0.436,1311 0.321,1312 11.091,1313 14.779,1314 10.83,1315 8.981,1316 15.259,1317 11.218,1318 13.454,1319 0.28,1320 0.18,1321 13.454,1322 8.659,1323 11.749,1324 0.184,1325 0.102,1326 11.749,1327 6.548,1328 9.686,1329 0.118,1330 0.056,1331 9.686,1332 4.632,1333 7.129,1334 0.077,1335 0.033,1336 7.129,1337 3.05,1338 0.219,1339 94.65,1340 0.202,1341 29.93,1342 0.344,1343 166,1344 373.246,1345 176.824,1346 373.508,1347 530.13,1348 354,1349 195,1350 407.772,1351 207.462,1352 417.079,1353 604.21,1354 393,1355 8.678} {0 CHEMBL161696,1 1.48,2 14.839,3 4.326,4 18.715,5 128.356,6 7.5,7 0.6,8 4.163,9 4.298,10 3.756,11 3.711,12 5.167,13 3.678,14 4.726,15 4.922,16 4.105,17 4.138,18 5.64,19 4.076,20 4.978,21 5.208,22 4.069,23 4.294,24 5.787,25 4.165,26 5.079,27 5.345,28 3.937,29 4.282,30 5.808,31 4.116,32 5.057,33 5.352,34 3.871,35 4.188,36 5.741,37 4.024,38 4.933,39 5.202,40 3.861,41 4.117,42 5.684,43 3.97,44 4.888,45 5.164,46 3.841,47 4.055,48 5.642,49 3.905,50 4.809,51 5.081,52 3.699,53 3.966,54 5.575,55 3.8,56 0.06,57 0.911,58 12.202,59 4.993,60 9.857,61 7.033,62 0.253,63 1.486,64 24.175,65 8.326,66 19.418,67 12.017,68 0.275,69 1.732,70 34.387,71 12.308,72 25.765,73 17.555,74 0.252,75 1.811,76 39.069,77 14.169,78 29.52,79 20.524,80 0.309,81 1.741,82 38.083,83 13.358,84 29.382,85 19.774,86 0.323,87 1.575,88 34.686,89 11.551,90 27.648,91 16.948,92 0.273,93 1.506,94 31.98,95 11.018,96 25.688,97 16.186,98 0.334,99 1.335,100 33.65,101 10.053,102 28.697,103 14.536,104 2,105 48,106 0.239,107 0.567,108 0.733,109 0.808,110 0.831,111 0.831,112 3.471,113 0.966,114 -5.41,115 -5.29,116 -4.94,119 41.4,121 2,125 6,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 4,176 3,178 11,181 1,182 5,186 3,189 9,193 8,197 1,199 4,203 8,206 1,211 2,215 8,218 1,222 1,226 6,229 2,233 1,236 1,237 4,244 3,249 2,252 1,256 5,259 1673,260 21.532,261 21.532,262 21.532,263 21.532,264 21.532,265 19.068,266 25.8,267 12.839,268 22.119,269 17.319,270 17.319,271 17.319,272 17.319,273 17.319,274 13.684,275 29.24,276 6.159,277 18.324,278 4.378,279 2.353,280 1.325,281 0.862,282 0.724,283 0.724,284 4.185,285 1,288 1,289 1,290 1032,291 2.915,294 164.587,295 312.686,298 139.995,302 2.316,303 13.225,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 65.333,315 460,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.08,327 6.095,328 3.695,329 2.755,330 3.731,331 0.8,332 8.884,333 2.609,334 4.032,335 2.92,336 5.629,337 3.685,338 2.741,339 3.62,340 0.172,341 7.82,342 2.577,343 3.659,344 2.882,345 5.359,346 3.477,347 2.542,348 2.814,350 7.016,351 2.367,352 3.448,353 2.699,354 5.132,355 3.147,356 2.243,357 2.786,359 6.231,360 2.035,361 3.402,362 2.263,363 5.075,364 3.008,365 2.035,366 2.597,368 5.995,369 1.938,370 3.249,371 2.173,372 4.783,373 2.813,374 1.894,375 2.553,377 5.381,378 1.694,379 3.065,380 1.795,381 4.514,382 2.729,383 1.775,384 2.101,386 4.655,387 1.668,388 2.741,389 1.369,390 4.133,391 2.31,392 1.326,393 1.846,395 3.481,396 1.303,397 2.5,398 1.164,399 3.474,400 2.087,401 1.124,402 1.5,404 2.536,405 1.08,406 2.427,407 1.146,408 3.414,409 2,410 1,411 1.401,413 2.275,414 1,415 2.257,416 1,417 3.414,418 1.967,419 1,420 1.198,422 2.275,423 0.965,424 2.118,425 0.938,426 3.318,427 1.861,428 0.896,429 1,431 2.098,432 0.862,433 2,434 0.757,435 3.18,436 1.564,437 0.618,438 0.927,440 1.476,441 0.579,442 1.987,443 0.645,444 3,445 1.518,446 0.607,447 0.825,449 1.372,450 0.556,451 15.114,452 0.488,453 0.602,454 0.019,455 39,456 1.258,457 18,458 0.581,459 21,460 0.677,461 27.163,462 0.876,463 32.886,464 0.567,465 26.22,466 0.846,467 7.643,468 0.247,469 7.599,470 0.245,471 0.047,473 0.278,479 0.79,480 1.429,481 0.677,482 1.052,483 0.569,484 0.962,485 1.164,486 1.023,487 0.828,488 0.853,489 0.687,490 0.897,491 0.96,492 1.026,493 1.021,494 1.081,495 0.769,496 1.105,497 0.717,498 1.076,499 0.897,500 1.109,501 0.698,502 1.103,503 0.649,504 0.911,505 0.662,506 0.874,507 0.609,508 0.895,509 0.805,510 1.01,511 0.893,512 1.026,513 0.79,514 1.017,515 0.75,516 1.034,517 0.763,518 0.968,519 0.701,520 0.98,521 1.281,522 0.921,523 1.257,524 1.034,525 1.399,526 1.055,527 5.5,528 0.111,529 3.111,530 1.132,531 1.188,532 0.653,533 0.565,534 0.305,535 0.151,536 0.159,537 16663,538 41909,539 2.2,540 46.6,541 2,542 19,543 1,544 2,545 1,547 2,550 1.728,551 2.138,552 3.827,553 -0.361,559 85.832,560 1.48,561 3.505,562 4.533,563 4.996,564 5.134,565 5.134,566 3.284,567 4.374,568 4.926,569 4.023,570 1870.63,571 8.557,572 28777.7,574 1,577 339.763,578 1.058,579 4.918,580 0.157,581 0.005,582 0.065,583 0.026,584 0.031,585 0.018,586 0.016,587 0.009,588 0.006,589 0.007,590 0.34,591 0.33,592 0.88,593 0.32,594 166.17,595 0.078,596 -0.212,597 0.054,598 -0.076,599 0.157,600 -0.015,601 -0.109,602 0.133,603 -0.023,604 0.082,605 0.06,606 0.03,607 -0.104,608 -0.007,609 -0.125,610 -0.087,611 -0.004,612 -0.118,613 -0.01,614 -0.144,615 -0.047,616 -0.113,617 0.025,618 -0.091,619 0.072,621 0.122,622 0.088,623 0.085,624 0.105,625 0.051,626 -0.057,627 -0.007,628 -0.054,629 0.013,630 -0.027,631 0.089,632 -0.083,633 0.079,634 -0.009,635 0.072,636 0.004,637 -0.155,638 0.025,639 -0.139,640 -0.049,641 -0.256,642 -0.074,643 0.862,644 1.883,645 0.839,646 37.382,647 0.994,648 1.129,649 4.179,650 17.464,651 0.677,652 3.584,653 3.892,654 4.159,655 4.407,656 4.595,657 4.654,658 4.796,659 4.92,660 4.956,661 5.024,662 8.582,663 0.634,664 435.02,665 3.584,666 5.118,667 5.964,668 6.828,669 7.687,670 8.554,671 9.42,672 10.29,673 11.16,674 12.032,675 10.3,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 58,716 21,717 2,718 35,720 62,721 24,722 16,723 5,724 7,730 5,731 6,732 1,743 2,745 16,746 8,764 27,765 4,766 1,767 7,768 1,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,824 1,827 31,833 8,838 2,844 1,846 1,854 14.5,855 10.226,856 6.75,857 3.597,858 3.619,859 1.443,860 1.026,861 6.255,862 11.783,863 3.839,864 4.431,865 5.019,866 5.603,867 6.053,868 6.375,869 6.801,870 7.221,871 7.406,872 7.627,873 0.9,874 44,875 11.43,877 4.811,878 7.455,879 22.652,881 19.042,883 1.955,884 60.611,887 1,888 306.049,889 127.667,890 58.259,891 39.149,895 127.667,896 345.197,897 58.259,899 17.703,900 75.381,901 74.105,902 40.135,903 13.915,904 270.735,905 39.149,906 306.049,907 185.926,909 39.149,911 282.506,912 23.542,915 59.874,916 92.727,917 72.475,919 306.049,920 58.259,921 166.816,924 306.049,925 35.049,926 100.766,927 16.786,928 72.475,929 306.049,930 58.259,931 166.816,933 0.578,934 0.333,935 0.178,936 0.094,937 24,938 9,939 0.113,940 7,941 1,942 1.077,943 4.556,944 271.858,945 0.077,946 26,947 141.58,951 20.559,952 9.431,953 4.95,954 2.474,955 39.575,956 20.296,957 7.826,958 3.412,961 4.614,962 1.944,963 16.786,964 531.124,965 45.5,975 57.654,976 65.501,977 0.253,978 0.598,979 0.774,980 0.853,981 0.876,982 0.876,983 5.064,984 1.775,985 5.922,986 5.381,987 4.575,988 5.118,989 1.242,990 6.686,991 4.471,992 6.244,993 1.326,994 7.445,995 4.655,996 4.007,997 4.796,998 0.57,999 7.466,1000 3.814,1001 7.53,1002 1.124,1003 9.064,1004 3.481,1005 6.125,1006 7.301,1007 0.883,1008 10.543,1009 5.933,1010 8.853,1011 1,1012 10.741,1013 2.536,1014 6.415,1015 7.906,1016 0.581,1017 12.193,1018 6.158,1019 10.212,1020 1,1021 12.458,1022 2.275,1023 7.938,1024 9.814,1025 0.68,1026 14.76,1027 7.678,1028 11.595,1029 0.896,1030 14.202,1031 2.275,1032 8.633,1033 10.868,1034 0.515,1035 16.785,1036 8.332,1037 12.999,1038 0.618,1039 15.967,1040 2.098,1041 9.909,1042 12.531,1043 0.541,1044 19.183,1045 9.599,1046 3.118,1047 0.607,1048 17.749,1049 1.476,1050 10.808,1051 13.811,1052 0.441,1053 21.376,1054 10.473,1055 2.755,1056 10.431,1057 19.544,1058 1.372,1059 11.977,1060 15.37,1061 0.438,1062 23.721,1063 11.631,1064 2.741,1065 8.884,1066 21.35,1067 4.518,1068 12.979,1069 16.762,1070 0.373,1071 25.989,1072 12.617,1073 2.542,1074 7.82,1075 23.165,1076 3.731,1077 14.106,1078 18.281,1079 0.358,1080 28.319,1081 13.734,1082 2.243,1083 7.016,1084 24.989,1085 3.62,1086 15.162,1087 19.727,1088 0.314,1089 30.622,1090 14.777,1091 2.035,1092 6.231,1093 26.819,1094 2.814,1095 16.275,1096 21.231,1097 0.296,1098 32.951,1099 15.88,1100 1.894,1101 5.995,1102 28.656,1103 2.786,1104 17.358,1105 22.706,1106 0.264,1107 35.272,1108 16.954,1109 15174,1110 24229,1111 24.444,1112 39.267,1113 52.48,1114 52.185,1115 52.3,1116 52.136,1117 51.947,1118 67.5,1119 3.778,1120 145.305,1121 49.128,1122 5.568,1123 5.197,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1131 8.041,1132 1.499,1133 1.491,1134 1.494,1135 1.49,1136 1.484,1137 1.929,1138 0.108,1139 4.152,1140 1.404,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.949,1148 3.994,1149 3.998,1150 3.874,1151 4.944,1152 3.867,1153 3.834,1154 3.907,1155 3.79,1156 3.639,1157 4.923,1158 3.65,1159 3.793,1160 3.852,1161 3.727,1162 3.574,1163 4.42,1164 3.608,1165 3.52,1166 3.59,1167 3.432,1168 3.365,1169 4.281,1170 3.362,1171 3.293,1172 3.359,1173 3.314,1174 3.129,1175 4.246,1176 3.134,1177 3.155,1178 3.232,1179 3.156,1180 3.006,1181 3.96,1182 2.992,1183 3.111,1184 3.206,1185 2.896,1186 2.941,1187 3.747,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.197,1197 0.026,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.06,1210 2.064,1211 1.367,1212 2.067,1213 1.918,1214 1.889,1215 2.032,1216 2.044,1217 1.258,1218 2.042,1219 1.78,1220 1.716,1221 1.958,1222 1.938,1223 1.139,1224 1.953,1225 1.637,1226 1.578,1227 1.843,1228 1.813,1229 1.075,1230 1.827,1231 1.406,1232 1.334,1233 1.582,1234 1.664,1235 0.825,1236 1.642,1237 1.319,1238 1.254,1239 1.513,1240 1.527,1241 0.741,1242 1.528,1243 1.153,1244 1.064,1245 1.487,1246 1.442,1247 0.612,1248 1.429,1249 1.127,1250 1.063,1251 1.386,1252 1.376,1253 0.577,1254 1.379,1255 4.263,1257 5.572,1258 3.045,1259 7.064,1260 5.283,1261 8.637,1262 7.286,1263 10.255,1266 5.994,1271 8.924,1276 5.127,1280 36.751,1281 85.832,1282 203.282,1283 262.892,1284 289.763,1285 297.763,1286 297.763,1287 36.483,1288 8.164,1289 52.98,1290 52.98,1291 28,1292 12.574,1293 4.459,1294 3.524,1295 44.096,1296 163,1297 161,1298 0.129,1299 226.772,1300 375.81,1301 545.083,1302 49153,1303 1.7,1304 21.045,1305 0.679,1306 0.59,1307 21.545,1308 18.3,1309 15.242,1310 0.435,1311 0.322,1312 10.78,1313 14.419,1314 10.535,1315 8.673,1316 15.531,1317 11.265,1318 13.558,1319 0.282,1320 0.181,1321 13.967,1322 8.697,1323 11.625,1324 0.185,1325 0.102,1326 11.913,1327 6.425,1328 9.556,1329 0.118,1330 0.056,1331 9.723,1332 4.506,1333 7.563,1334 0.077,1335 0.033,1336 7.799,1337 3.26,1338 0.213,1339 97.883,1340 0.202,1341 30.082,1342 0.328,1343 166,1344 406.762,1345 192.704,1346 433.161,1347 596.42,1348 408,1349 194,1350 428.339,1351 216.942,1352 446.868,1353 647.42,1354 420,1355 8.921} {0 CHEMBL161723,1 1.48,2 14.839,3 3.867,4 14.955,5 123.767,6 7.217,7 0.6,8 4.166,9 4.303,10 3.723,11 3.688,12 5.203,13 3.667,14 4.729,15 4.928,16 4.058,17 4.108,18 5.694,19 4.06,20 4.983,21 5.217,22 4.017,23 4.259,24 5.856,25 4.148,26 5.083,27 5.352,28 3.905,29 4.26,30 5.85,31 4.105,32 5.058,33 5.354,34 3.842,35 4.174,36 5.759,37 4.016,38 4.937,39 5.21,40 3.822,41 4.096,42 5.735,43 3.959,44 4.891,45 5.168,46 3.78,47 4.022,48 5.682,49 3.887,50 4.818,51 5.098,52 3.617,53 3.902,54 5.673,55 3.769,56 0.047,57 0.988,58 12.487,59 5.054,60 9.478,61 7.039,62 0.245,63 1.596,64 24.033,65 8.271,66 21.721,67 11.912,68 0.291,69 1.88,70 32.445,71 12.01,72 34.455,73 17.041,74 0.271,75 1.881,76 37.091,77 13.7,78 37.534,79 20.022,80 0.314,81 1.737,82 37.169,83 12.878,84 33.834,85 19.51,86 0.373,87 1.652,88 32.469,89 11.141,90 36.346,91 16.559,92 0.27,93 1.566,94 30.928,95 10.589,96 29.001,97 15.827,98 0.381,99 1.506,100 29.627,101 9.395,102 42.227,103 13.565,104 2,105 48,106 0.239,107 0.567,108 0.733,109 0.808,110 0.831,111 0.831,112 3.471,113 0.933,114 -5.31,115 -5.19,116 -4.85,119 41.4,121 2,125 6,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 4,176 3,178 9,181 1,182 5,186 3,189 7,193 8,197 1,199 3,203 8,206 1,211 2,215 7,218 1,222 1,226 6,229 2,233 1,236 1,237 4,244 3,249 1,252 1,256 5,259 1673,260 21.532,261 21.532,262 21.532,263 21.532,264 21.532,265 19.068,266 25.826,267 12.839,268 22.046,269 17.319,270 17.319,271 17.319,272 17.319,273 17.319,274 13.684,275 29.261,276 6.159,277 18.173,278 4.378,279 2.353,280 1.325,281 0.862,282 0.724,283 0.724,284 4.185,288 1,289 1,290 1032,291 2.915,294 164.587,295 312.686,298 139.995,302 2.316,303 18.677,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66.5,315 460,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.077,327 6.095,328 3.698,329 2.755,330 3.731,331 0.8,332 8.884,333 2.626,334 4.032,335 2.906,336 5.629,337 3.687,338 2.741,339 3.62,340 0.172,341 7.82,342 2.577,343 3.659,344 2.88,345 5.359,346 3.487,347 2.542,348 2.814,350 7.016,351 2.384,352 3.448,353 2.694,354 5.132,355 3.168,356 2.243,357 2.786,359 6.231,360 2.073,361 3.402,362 2.26,363 5.075,364 3.012,365 2.035,366 2.597,368 5.995,369 1.977,370 3.249,371 2.173,372 4.783,373 2.834,374 1.894,375 2.553,377 5.381,378 1.767,379 3.065,380 1.795,381 4.514,382 2.729,383 1.775,384 2.101,386 4.655,387 1.689,388 2.741,389 1.369,390 4.133,391 2.311,392 1.326,393 1.846,395 3.481,396 1.304,397 2.5,398 1.164,399 3.474,400 2.087,401 1.124,402 1.5,404 2.536,405 1.08,406 2.427,407 1.146,408 3.414,409 2,410 1,411 1.401,413 2.275,414 1,415 2.257,416 1,417 3.414,418 1.967,419 1,420 1.198,422 2.275,423 0.965,424 2.118,425 0.938,426 3.318,427 1.861,428 0.896,429 1,431 2.098,432 0.862,433 2,434 0.75,435 3.18,436 1.565,437 0.618,438 0.927,440 1.476,441 0.58,442 1.987,443 0.643,444 3,445 1.518,446 0.607,447 0.825,449 1.372,450 0.556,451 14.686,452 0.474,453 0.602,454 0.019,455 39,456 1.258,457 18,458 0.581,459 21,460 0.677,461 26.354,462 0.85,463 33.314,464 0.574,465 27.028,466 0.872,467 7.774,468 0.251,469 7.468,470 0.241,471 0.019,473 0.286,477 1,479 0.688,480 1.297,481 0.782,482 1.132,483 0.495,484 0.999,485 0.965,486 0.987,487 0.968,488 0.93,489 0.552,490 0.933,491 0.921,492 0.999,493 1.088,494 1.099,495 0.781,496 1.115,497 0.672,498 0.967,499 0.997,500 1.117,501 0.611,502 1.112,503 0.504,504 0.791,505 0.833,506 0.923,507 0.346,508 0.925,509 0.735,510 0.878,511 0.966,512 0.997,513 0.695,514 1.014,515 0.649,516 0.966,517 0.906,518 1.042,519 0.534,520 1.017,521 1.355,522 1.004,523 1.153,524 0.977,525 1.465,526 1.023,527 5.5,528 0.111,529 3.111,530 1.132,531 1.188,532 0.653,533 0.565,534 0.305,535 0.151,536 0.159,537 16663,538 41909,539 2.2,540 46.6,541 2,542 19,543 1,544 2,545 1,547 2,550 1.728,551 2.138,552 3.827,553 -0.361,555 1,559 85.832,560 1.48,561 3.505,562 4.533,563 4.996,564 5.134,565 5.134,566 3.284,567 4.374,568 4.926,569 4.023,570 1870.63,571 8.557,572 28777.7,574 1,577 339.763,578 1.058,579 4.918,580 0.157,581 0.005,582 0.065,583 0.026,584 0.031,585 0.018,586 0.016,587 0.009,588 0.006,589 0.007,590 0.34,591 0.33,592 0.88,593 0.32,594 166.17,595 0.043,596 -0.185,597 0.079,598 -0.082,599 0.051,600 -0.015,601 -0.085,602 0.062,603 -0.044,604 0.048,605 0.047,606 0.019,607 -0.089,608 -0.013,609 -0.147,610 -0.084,611 -0.003,612 -0.116,613 -0.013,614 -0.109,615 -0.05,616 -0.104,617 0.002,618 -0.088,619 0.063,620 -0.027,621 0.128,622 0.054,623 0.054,624 0.093,625 0.05,626 0.009,627 0.002,628 -0.015,629 -0.001,630 -0.015,631 0.07,632 -0.121,633 0.061,634 -0.07,635 0.038,636 -0.02,637 -0.15,638 0.016,639 -0.127,640 -0.019,641 -0.172,642 -0.059,643 1.835,644 5.079,645 0.839,646 37.382,647 0.997,648 1.136,649 4.076,650 16.61,651 0.661,652 3.584,653 3.892,654 4.159,655 4.407,656 4.595,657 4.654,658 4.796,659 4.92,660 4.956,661 5.024,662 8.582,663 0.626,664 418.57,665 3.584,666 5.118,667 5.964,668 6.828,669 7.687,670 8.554,671 9.42,672 10.29,673 11.16,674 12.032,675 10.3,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 58,716 21,717 2,718 35,720 62,721 24,722 16,723 5,724 7,730 5,731 6,743 2,745 16,746 8,761 1,762 1,764 27,765 5,766 1,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 1,827 31,833 8,838 2,844 1,846 1,854 14.5,855 10.226,856 6.75,857 3.597,858 3.619,859 1.443,860 1.029,861 6.009,862 11.783,863 3.839,864 4.431,865 5.019,866 5.603,867 6.053,868 6.375,869 6.801,870 7.221,871 7.406,872 7.627,873 0.9,874 44,875 11.46,877 4.868,878 7.581,879 22.513,881 18.934,883 2.081,884 64.5,887 1,888 306.049,889 133.288,890 58.259,893 14.96,895 133.288,896 306.049,897 73.219,899 17.703,900 75.381,901 74.105,902 45.755,903 28.875,904 270.735,906 306.049,907 191.547,908 14.96,911 297.467,912 23.542,915 59.874,916 98.347,917 33.326,919 321.009,920 58.259,921 133.288,924 306.049,925 40.669,926 100.766,927 16.786,928 48.286,929 306.049,930 73.219,931 133.288,933 0.578,934 0.333,935 0.178,936 0.094,937 24,938 9,939 0.113,940 7,941 1,942 1.077,943 4.556,944 271.858,945 0.077,946 26,947 141.58,951 20.228,952 9.209,953 4.81,954 2.441,955 54.535,956 18.866,957 7.807,958 3.397,961 3.453,962 1.932,963 16.786,964 512.556,965 45.5,975 57.843,976 65.897,977 0.253,978 0.598,979 0.774,980 0.853,981 0.876,982 0.876,983 5.064,984 1.775,985 5.922,986 5.381,987 4.575,988 5.118,989 1.242,990 6.686,991 4.485,992 6.244,993 1.326,994 7.445,995 4.655,996 4.007,997 4.796,998 0.57,999 7.466,1000 3.853,1001 7.53,1002 1.124,1003 9.064,1004 3.481,1005 6.125,1006 7.301,1007 0.883,1008 10.543,1009 5.953,1010 8.853,1011 1,1012 10.741,1013 2.536,1014 6.415,1015 7.906,1016 0.581,1017 12.193,1018 6.191,1019 10.212,1020 1,1021 12.458,1022 2.275,1023 7.938,1024 9.814,1025 0.68,1026 14.76,1027 7.699,1028 11.595,1029 0.896,1030 14.202,1031 2.275,1032 8.633,1033 10.868,1034 0.515,1035 16.785,1036 8.358,1037 12.999,1038 0.618,1039 15.967,1040 2.098,1041 9.909,1042 12.531,1043 0.541,1044 19.183,1045 9.618,1046 3.118,1047 0.607,1048 17.749,1049 1.476,1050 10.808,1051 13.811,1052 0.441,1053 21.376,1054 10.493,1055 2.755,1056 10.431,1057 19.544,1058 1.372,1059 11.977,1060 15.37,1061 0.438,1062 23.721,1063 11.648,1064 2.741,1065 8.884,1066 21.35,1067 4.518,1068 12.979,1069 16.762,1070 0.373,1071 25.989,1072 12.634,1073 2.542,1074 7.82,1075 23.165,1076 3.731,1077 14.106,1078 18.281,1079 0.358,1080 28.319,1081 13.748,1082 2.243,1083 7.016,1084 24.989,1085 3.62,1086 15.162,1087 19.727,1088 0.314,1089 30.622,1090 14.791,1091 2.035,1092 6.231,1093 26.819,1094 2.814,1095 16.275,1096 21.231,1097 0.296,1098 32.951,1099 15.892,1100 1.894,1101 5.995,1102 28.656,1103 2.786,1104 17.358,1105 22.706,1106 0.264,1107 35.272,1108 16.965,1109 15174,1110 24229,1111 24.444,1112 38.347,1113 52.48,1114 52.153,1115 52.3,1116 52.015,1117 51.947,1118 67.5,1119 3.778,1120 145.305,1121 49.571,1122 5.568,1123 5.197,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1131 8.041,1132 1.499,1133 1.49,1134 1.494,1135 1.486,1136 1.484,1137 1.929,1138 0.108,1139 4.152,1140 1.416,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 8.201,1146 4.069,1147 3.952,1148 3.998,1149 3.883,1150 3.86,1151 5.135,1152 3.86,1153 3.834,1154 3.907,1155 3.789,1156 3.636,1157 4.927,1158 3.649,1159 3.795,1160 3.857,1161 3.694,1162 3.573,1163 4.648,1164 3.607,1165 3.52,1166 3.591,1167 3.38,1168 3.364,1169 4.353,1170 3.362,1171 3.294,1172 3.361,1173 3.194,1174 3.124,1175 4.254,1176 3.131,1177 3.161,1178 3.24,1179 3.035,1180 2.976,1181 3.974,1182 2.978,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.762,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.197,1197 0.026,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.062,1210 2.066,1211 1.367,1212 2.068,1213 1.916,1214 1.884,1215 2.035,1216 2.046,1217 1.258,1218 2.043,1219 1.78,1220 1.715,1221 1.962,1222 1.95,1223 1.135,1224 1.958,1225 1.637,1226 1.578,1227 1.844,1228 1.815,1229 1.07,1230 1.828,1231 1.406,1232 1.334,1233 1.583,1234 1.664,1235 0.825,1236 1.642,1237 1.319,1238 1.252,1239 1.513,1240 1.53,1241 0.739,1242 1.529,1243 1.153,1244 1.064,1245 1.487,1246 1.442,1247 0.605,1248 1.429,1249 1.123,1250 1.053,1251 1.393,1252 1.376,1253 0.576,1254 1.379,1255 4.263,1257 5.572,1258 3.045,1259 7.064,1260 5.283,1261 8.637,1262 7.286,1263 10.255,1267 13.079,1271 8.517,1276 5.008,1280 36.306,1281 85.832,1282 203.282,1283 262.892,1284 289.763,1285 297.763,1286 297.763,1287 40.773,1288 8.164,1289 52.98,1290 52.98,1291 28,1292 12.574,1293 4.459,1294 3.524,1295 44.096,1296 163,1297 161,1298 0.129,1299 219.637,1300 366.67,1301 527.674,1302 49153,1303 1.7,1304 21.045,1305 0.679,1306 0.566,1307 20.175,1308 17.544,1309 15.242,1310 0.435,1311 0.311,1312 10.725,1313 14.609,1314 10.535,1315 8.673,1316 14.848,1317 10.887,1318 13.558,1319 0.282,1320 0.172,1321 12.936,1322 8.261,1323 11.625,1324 0.185,1325 0.098,1326 11.214,1327 6.173,1328 9.556,1329 0.118,1330 0.054,1331 9.414,1332 4.38,1333 7.563,1334 0.077,1335 0.032,1336 7.272,1337 3.099,1338 0.213,1339 95.574,1340 0.202,1341 30.082,1342 0.328,1343 166,1344 466.67,1345 181.016,1346 433.161,1347 596.42,1348 408,1349 194,1350 444.809,1351 210.093,1352 446.868,1353 647.42,1354 420,1355 9.523} {0 CHEMBL161735,1 1.43,2 14.903,3 3.673,4 13.492,5 126.094,6 6.926,7 0.6,8 4.191,9 4.322,10 3.717,11 3.724,12 5.184,13 3.693,14 4.758,15 4.945,16 4.031,17 4.146,18 5.652,19 4.082,20 4.997,21 5.23,22 3.957,23 4.258,24 5.775,25 4.128,26 5.088,27 5.361,28 3.881,29 4.21,30 5.829,31 4.062,32 4.982,33 5.254,34 3.793,35 4.127,36 5.695,37 3.975,38 4.943,39 5.224,40 3.792,41 4.092,42 5.647,43 3.952,44 4.876,45 5.128,46 3.809,47 4.087,48 5.649,49 3.952,50 4.931,51 5.213,52 3.658,53 4.052,54 5.64,55 3.889,56 0.074,57 0.914,58 13.554,59 5.469,60 11.02,61 7.657,62 0.278,63 1.49,64 25.545,65 9.213,66 22.292,67 13.083,68 0.22,69 1.73,70 33.074,71 12.68,72 24.085,73 18.275,74 0.398,75 1.75,76 37.967,77 13.472,78 36.459,79 19.618,80 0.295,81 1.615,82 33.773,83 12.258,84 28.285,85 17.959,86 0.316,87 1.576,88 32.667,89 11.333,90 25.96,91 16.917,92 0.257,93 1.536,94 29.734,95 10.88,96 25.244,97 16.011,98 0.33,99 1.552,100 32.304,101 10.975,102 28.953,103 16.513,105 47,106 0.23,107 0.563,108 0.767,109 0.851,110 0.869,111 0.869,112 3.471,113 0.955,114 -5.14,115 -5.04,116 -4.71,119 41.7,121 3,122 1,125 5,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 7,176 3,178 11,182 6,186 3,189 8,192 1,193 8,197 1,199 6,203 7,206 1,211 7,215 6,218 1,222 7,226 6,229 2,233 5,236 1,237 6,242 2,244 4,249 2,256 5,259 1737,260 21.792,261 21.792,262 21.792,263 21.792,264 21.792,265 19.353,266 24.526,267 13.238,268 22.241,269 17.352,270 17.352,271 17.352,272 17.352,273 17.352,274 13.77,275 26.133,276 6.351,277 18.074,278 4.476,279 2.405,280 1.138,281 0.613,282 0.5,283 0.5,284 4.186,288 1,289 1,290 1037,291 3.162,294 255.375,295 206.935,298 138.601,302 2.37,303 13.673,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 65.5,315 462,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 1.151,323 10.431,324 3.062,325 4.129,326 2.985,327 6.095,328 3.701,329 2.757,330 3.731,331 0.8,332 8.884,333 2.618,334 3.899,335 2.882,336 5.646,337 3.682,338 2.735,339 3.444,341 7.877,342 2.575,343 3.736,344 2.824,345 5.34,346 3.505,347 2.517,348 2.815,350 6.965,351 2.487,352 3.431,353 2.306,354 5.132,355 3.064,356 2.092,357 2.734,359 6.026,360 2.032,361 3.25,362 2.175,363 4.896,364 2.922,365 1.97,366 2.591,368 5.685,369 1.866,370 3.047,371 1.801,372 4.514,373 2.729,374 1.775,375 2.131,377 4.655,378 1.689,379 2.914,380 1.782,381 4.133,382 2.518,383 1.543,384 2.007,386 3.479,387 1.502,388 2.739,389 1.424,390 3.678,391 2.305,392 1.323,393 1.841,395 3.228,396 1.298,397 2.5,398 1.334,399 3.475,400 2.104,401 1.154,402 1.5,404 2.578,405 1.092,406 2.426,407 1.126,408 3.342,409 2,410 1,411 1.401,413 2.237,414 1,415 2.279,416 1,417 3.277,418 1.92,419 1,420 1.237,422 2.136,423 0.913,424 2.133,425 0.931,426 3.247,427 1.828,428 0.876,429 1.071,431 2.048,432 0.829,433 2.118,434 0.816,435 3.236,436 1.673,437 0.709,438 0.927,440 1.691,441 0.681,442 1.937,443 0.629,444 3.152,445 1.528,446 0.618,447 0.805,449 1.383,450 0.556,451 14.833,452 0.478,453 0.496,454 0.016,455 38.5,456 1.242,457 18,458 0.581,459 20.5,460 0.661,461 26.826,462 0.865,463 33.167,464 0.553,465 25.504,466 0.823,467 7.488,468 0.242,469 7.86,470 0.254,473 0.256,479 0.861,480 1.351,481 0.839,482 1.134,483 0.689,484 1.008,485 1.37,486 1.027,487 1.058,488 0.973,489 1.037,490 0.983,491 0.92,492 1.126,493 1.082,494 1.189,495 0.771,496 1.16,497 1.157,498 0.929,499 0.981,500 0.965,501 0.972,502 0.966,503 0.946,504 1.009,505 0.966,506 1.025,507 0.919,508 1.01,509 0.946,510 0.891,511 0.906,512 0.87,513 0.807,514 0.882,515 0.799,516 1.117,517 1.004,518 1.109,519 0.863,520 1.086,521 1.011,522 0.917,523 1.077,524 0.972,525 1.122,526 1.017,527 4.5,528 0.062,529 2.667,530 1.264,531 0.784,532 0.743,533 0.364,534 0.229,535 0.17,536 0.135,537 17036,538 37790,539 2.221,540 48.3,541 2,542 18,543 1,544 2,545 1,547 4,548 1,550 1.729,551 2.188,552 3.833,553 -0.393,555 1,559 85.826,560 1.43,561 3.502,562 4.769,563 5.294,564 5.407,565 5.407,566 3.284,567 4.503,568 4.925,569 4.047,570 1881.69,571 8.558,572 29320.8,574 1,577 354.413,578 0.824,579 4.929,580 0.129,581 0.003,582 0.057,583 0.031,584 0.021,585 0.022,586 0.01,587 0.007,588 0.006,589 0.005,590 0.29,591 0.33,592 0.88,594 166.726,595 0.09,596 -0.146,597 0.088,598 -0.067,599 0.195,600 -0.004,601 -0.121,602 0.097,603 -0.083,604 0.034,605 -0.053,606 -0.014,607 -0.057,608 -0.129,609 -0.126,610 -0.166,611 0.029,612 -0.153,613 -0.009,614 -0.016,615 0.02,616 0.021,617 0.035,618 0.021,619 0.007,620 -0.081,621 0.018,622 -0.032,623 0.013,624 -0.014,625 -0.014,626 0.057,627 0.084,628 0.102,629 0.045,630 0.102,631 0.049,632 -0.127,633 -0.036,634 -0.113,635 -0.006,636 -0.093,637 -0.089,638 0.045,639 -0.087,640 -0.013,641 -0.186,642 -0.043,643 0.783,644 2.464,645 0.806,646 38.747,647 0.991,648 1.128,649 3.911,650 15.296,651 0.66,652 3.584,653 3.871,654 4.143,655 4.394,656 4.5,657 4.585,658 4.718,659 4.852,660 4.927,661 4.977,662 8.734,663 0.619,664 415.59,665 3.584,666 5.106,667 5.948,668 6.806,669 7.661,670 8.525,671 9.386,672 10.254,673 11.121,674 11.992,675 8.3,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 60,716 21,717 2,718 35,720 64,721 25,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 3,745 16,746 9,747 1,761 1,764 29,765 4,766 1,767 6,773 5,777 0.8,778 1,788 1,789 1,792 3,793 2,796 1,815 1,818 1,819 4,827 31,833 8,835 1,837 1,838 1,844 1,847 1.7,851 1,854 14.167,855 10.467,856 6.833,857 3.733,858 3.563,859 1.439,860 1.012,861 6.33,862 11.68,863 3.839,864 4.407,865 4.996,866 5.577,867 5.992,868 6.318,869 6.764,870 7.188,871 7.386,872 7.611,873 0.9,874 41,875 11.456,877 4.813,878 7.425,879 22.785,881 19.16,883 1.925,884 59.667,887 1,888 329.591,889 139.045,890 55.135,892 11,895 139.045,896 340.591,897 55.135,899 23.105,900 84.857,901 85.105,902 33.51,903 13.915,904 294.278,906 329.591,907 194.18,908 11,911 270.735,912 58.856,913 11,915 62.152,916 98.702,917 33.326,919 329.591,920 66.135,921 139.045,924 329.591,925 36.95,926 107.118,927 16.786,928 44.326,929 329.591,930 66.135,931 139.045,933 0.569,934 0.33,935 0.181,936 0.086,937 23,938 8,939 0.141,940 9,941 1,942 1.08,943 4.636,944 267.817,945 0.08,946 25,947 145.58,951 20.289,952 9.672,953 5.001,954 2.475,955 47.45,956 22.517,957 7.826,958 3.412,961 3.728,962 1.945,963 16.786,964 534.771,965 45.5,975 59.44,976 67.683,977 0.242,978 0.593,979 0.807,980 0.896,981 0.915,982 0.915,983 5.051,984 1.543,985 5.889,986 4.655,987 4.554,988 5.094,989 1.528,990 6.642,991 4.478,992 6.214,993 1.323,994 7.401,995 3.479,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.488,1002 1.154,1003 9.012,1004 3.228,1005 6.084,1006 7.256,1007 1.603,1008 10.502,1009 5.943,1010 8.803,1011 1,1012 10.688,1013 2.578,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.182,1019 10.157,1020 1,1021 12.406,1022 2.237,1023 7.896,1024 9.765,1025 1.778,1026 14.737,1027 7.698,1028 11.539,1029 0.876,1030 14.155,1031 2.136,1032 8.59,1033 10.809,1034 0.188,1035 16.778,1036 8.368,1037 12.942,1038 0.709,1039 15.926,1040 2.048,1041 9.874,1042 12.487,1043 1.991,1044 19.175,1045 9.626,1046 3.118,1047 0.618,1048 17.713,1049 1.691,1050 10.778,1051 13.766,1052 0.125,1053 21.375,1054 10.51,1055 2.757,1056 10.431,1057 19.514,1058 1.383,1059 11.951,1060 15.334,1061 2.225,1062 23.718,1063 11.661,1064 2.735,1065 8.884,1066 21.325,1067 4.518,1068 12.959,1069 16.728,1070 0.082,1071 25.989,1072 12.651,1073 2.517,1074 7.877,1075 23.145,1076 3.731,1077 14.088,1078 18.253,1079 2.473,1080 28.319,1081 13.762,1082 2.092,1083 6.965,1084 24.973,1085 3.444,1086 15.147,1087 19.702,1088 0.054,1089 30.623,1090 14.805,1091 1.97,1092 6.026,1093 26.806,1094 2.815,1095 16.261,1096 21.211,1097 2.73,1098 32.952,1099 15.905,1100 1.775,1101 5.685,1102 28.646,1103 2.734,1104 17.348,1105 22.688,1106 0.035,1107 35.272,1108 16.977,1109 15478,1110 23230,1111 24.731,1112 39.62,1113 52.022,1114 51.867,1115 51.513,1116 51.473,1117 51.508,1118 66.868,1119 3.902,1120 141.347,1121 49.486,1122 5.532,1123 5.197,1124 6.367,1125 5.16,1126 5.118,1127 7.518,1128 2.302,1129 17.096,1130 5.062,1132 1.486,1133 1.482,1134 1.472,1135 1.471,1136 1.472,1137 1.911,1138 0.111,1139 4.038,1140 1.414,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.07,1147 3.933,1148 3.977,1149 3.847,1150 3.851,1151 4.927,1152 3.845,1153 3.866,1154 3.918,1155 3.791,1156 3.729,1157 4.789,1158 3.727,1159 3.823,1160 3.895,1161 3.75,1162 3.585,1163 4.517,1164 3.623,1165 3.53,1166 3.595,1167 3.384,1168 3.382,1169 4.288,1170 3.377,1171 3.329,1172 3.381,1173 3.212,1174 3.135,1175 4.241,1176 3.143,1177 3.246,1178 3.313,1179 3.107,1180 3.056,1181 3.912,1182 3.059,1183 3.006,1184 3.089,1185 2.855,1186 2.835,1187 3.695,1188 2.828,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.197,1197 0.033,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 1.151,1205 10.431,1206 3.062,1207 1.96,1208 1.936,1209 2.044,1210 2.052,1211 1.315,1212 2.05,1213 1.905,1214 1.877,1215 2.036,1216 1.997,1217 1.294,1218 2.011,1219 1.717,1220 1.657,1221 1.924,1222 1.905,1223 1.15,1224 1.917,1225 1.66,1226 1.608,1227 1.894,1228 1.825,1229 1.13,1230 1.85,1231 1.49,1232 1.42,1233 1.699,1234 1.722,1235 0.963,1236 1.716,1237 1.388,1238 1.321,1239 1.544,1240 1.628,1241 0.682,1242 1.611,1243 1.224,1244 1.162,1245 1.479,1246 1.46,1247 0.62,1248 1.474,1249 1.163,1250 1.092,1251 1.434,1252 1.442,1253 0.577,1254 1.414,1255 4.263,1257 5.557,1258 3.434,1259 7.027,1260 5.687,1261 8.58,1262 7.678,1263 10.18,1271 8.552,1273 5.964,1275 0.656,1276 2.591,1280 37.143,1281 85.826,1282 210.118,1283 286.149,1284 317.659,1285 324.413,1286 324.413,1287 37.675,1288 8.117,1289 58.97,1290 58.97,1291 27,1292 12.536,1293 4.459,1294 3.524,1295 44.075,1296 165,1297 159,1298 0.127,1299 225.233,1300 375.69,1301 541.329,1302 48072,1304 20.882,1305 0.674,1306 0.574,1307 20.882,1308 17.782,1309 15.348,1310 0.439,1311 0.318,1312 10.996,1313 14.805,1314 10.778,1315 8.915,1316 15.348,1317 11.14,1318 13.29,1319 0.283,1320 0.18,1321 13.29,1322 8.473,1323 11.456,1324 0.185,1325 0.1,1326 11.456,1327 6.223,1328 9.638,1329 0.12,1330 0.057,1331 9.638,1332 4.531,1333 6.961,1334 0.078,1335 0.032,1336 6.961,1337 2.884,1338 0.209,1339 95.732,1340 0.201,1341 30.212,1342 0.32,1343 164,1344 400.649,1345 175.982,1346 392.084,1347 548.85,1348 372,1349 191,1350 411,1351 204.952,1352 420.141,1353 608.17,1354 394,1355 8.678} {0 CHEMBL161780,1 1.532,2 14.71,3 2.917,4 8.507,5 127.218,6 6.995,7 0.471,8 4.22,9 4.348,10 3.87,11 3.783,12 5.147,13 3.716,14 4.809,15 4.997,16 4.116,17 4.198,18 5.876,19 4.104,20 5.082,21 5.311,22 4.062,23 4.329,24 5.969,25 4.179,26 5.16,27 5.433,28 3.973,29 4.282,30 6.002,31 4.109,32 5.073,33 5.353,34 3.922,35 4.202,36 5.878,37 4.035,38 4.987,39 5.246,40 3.968,41 4.193,42 5.794,43 4.038,44 5.015,45 5.274,46 3.955,47 4.195,48 5.88,49 4.04,50 5.007,51 5.276,52 3.758,53 4.117,54 5.828,55 3.947,56 0.12,57 0.961,58 17.918,59 6.244,60 15.31,61 8.447,62 0.422,63 1.562,64 30.701,65 10.679,66 58.767,67 14.672,68 0.315,69 1.864,70 40.263,71 14.505,72 48.57,73 19.863,74 0.417,75 1.902,76 43.952,77 14.924,78 61.511,79 21.02,80 0.362,81 1.738,82 39.754,83 13.72,84 47.846,85 19.464,86 0.275,87 1.668,88 35.958,89 12.625,90 34.669,91 18.054,92 0.368,93 1.707,94 38.648,95 13.43,96 44.08,97 18.742,98 0.403,99 1.623,100 37.816,101 12.24,102 52.81,103 17.624,104 13,105 47,106 0.245,107 0.554,108 0.773,109 0.865,110 0.879,111 0.879,112 3.471,113 1.116,114 -3.04,115 -3.04,116 -2.93,119 38.1,121 2,122 1,124 1,125 6,140 8,141 4,149 1,150 1,169 13,171 1,172 3,174 2,176 5,178 12,182 3,186 7,189 8,193 5,195 1,197 5,199 6,203 5,206 1,208 3,211 6,215 5,220 2,222 6,226 5,229 2,230 1,231 4,233 5,237 2,242 1,244 6,248 2,249 1,252 1,253 1,254 1,256 5,259 1771,260 21.041,261 21.041,262 21.041,263 21.041,264 21.041,265 18.822,266 23.966,267 12.438,268 21.38,269 16.741,270 16.741,271 16.741,272 16.741,273 16.741,274 13.305,275 29.819,276 5.893,277 17.312,278 4.445,279 2.516,280 1.147,281 0.576,282 0.488,283 0.488,284 4.167,288 1,289 1,290 983,291 4.062,294 169.203,295 208.637,298 141.219,302 2.364,303 25.721,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 66,315 456,316 4.7,317 4.502,318 6.731,319 4.158,320 3.221,321 4.535,322 1.416,323 10.966,324 3.067,325 4.537,326 3.168,327 6.541,328 4.042,329 3.067,330 4.448,331 0.8,332 10.335,333 2.915,334 3.899,335 2.953,336 5.648,337 3.696,338 2.738,339 3.444,340 0.657,341 7.882,342 2.626,343 3.743,344 2.755,345 5.34,346 3.51,347 2.517,348 3.073,350 6.965,351 2.498,352 3.639,353 2.455,354 5.26,355 3.259,356 2.262,357 2.752,359 6.643,360 2.255,361 3.335,362 2.213,363 5.093,364 3.007,365 2.044,366 2.644,368 5.985,369 1.966,370 3.024,371 2.036,372 4.878,373 2.829,374 1.864,375 2.127,377 5.568,378 1.79,379 2.907,380 1.672,381 4.149,382 2.524,383 1.538,384 1.991,386 3.477,387 1.516,388 2.717,389 1.336,390 3.676,391 2.25,392 1.27,393 1.808,395 3.224,396 1.243,397 2.5,398 1.259,399 3.467,400 2.024,401 1.075,402 1.5,404 2.378,405 1.018,406 2.256,407 1.172,408 3.381,409 2,410 1,411 1.203,413 2.136,414 1,415 2.142,416 1,417 3.267,418 1.804,419 0.849,420 1.075,422 1.965,423 0.809,424 1.769,425 0.925,426 3.247,427 1.682,428 0.711,429 0.741,431 1.694,432 0.689,433 1.58,434 0.815,435 3.237,436 1.416,437 0.477,438 0.51,440 1.042,441 0.442,442 1.54,443 0.509,444 3.039,445 1.334,446 0.384,447 0.434,449 0.611,450 0.365,451 15.1,452 0.487,453 0.737,454 0.024,455 36.5,456 1.177,457 17,458 0.548,459 19.5,460 0.629,461 28.79,462 0.929,463 34.7,464 0.551,465 26.487,466 0.854,467 6.93,468 0.224,469 8.091,470 0.261,471 0.077,472 0.055,473 0.225,479 0.643,480 1.399,481 0.908,482 1.241,483 0.659,484 1.042,485 0.838,486 1.076,487 1.093,488 1.047,489 0.544,490 1.015,491 1.042,492 1.155,493 1.101,494 1.136,495 0.984,496 1.149,497 0.989,498 0.983,499 0.947,500 0.954,501 0.91,502 1,503 0.864,504 0.914,505 0.822,506 0.864,507 0.789,508 0.913,509 0.798,510 1.039,511 0.835,512 0.952,513 0.708,514 0.999,515 0.637,516 1.094,517 0.984,518 1.098,519 0.575,520 1.04,521 1.177,522 0.99,523 1.018,524 0.962,525 1.142,526 1.03,527 7,528 0.124,529 2.889,530 1.736,531 1.134,532 0.709,533 0.699,534 0.436,535 0.238,536 0.169,537 15324,538 36519,539 2.096,540 50.8,542 23,543 1,545 3,547 4,548 1,550 1.731,551 1.989,552 3.798,553 0.844,555 1,559 96.53,560 1.532,561 3.462,562 4.83,563 5.402,564 5.489,565 5.489,566 3.272,567 4.503,568 4.923,569 4.012,570 1865.36,571 8.566,572 28697.2,574 1,577 376.569,578 1.379,579 4.892,580 0.206,581 0.005,582 0.061,583 0.041,584 0.031,585 0.02,586 0.019,587 0.011,588 0.008,589 0.007,590 0.41,591 0.33,592 1,593 0.965,594 165.984,595 0.103,596 -0.12,597 0.206,598 -0.039,599 -0.119,600 0.037,601 0.153,602 0.094,603 -0.067,604 0.006,605 0.259,606 -0.008,607 -0.114,608 -0.13,609 -0.142,610 -0.127,611 -0.045,612 -0.145,613 -0.051,614 -0.028,615 -0.023,616 -0.019,617 -0.009,618 -0.029,619 0.001,620 0.027,621 0.071,622 0.056,623 0.013,624 0.061,625 -0.011,626 -0.051,627 0.054,628 -0.005,629 -0.02,630 -0.008,631 0.159,632 -0.097,633 -0.008,634 -0.104,635 0.111,636 -0.044,637 -0.147,638 -0.032,639 -0.107,640 -0.045,641 -0.129,642 -0.07,643 4.185,644 4.883,645 0.645,646 39.642,647 0.992,648 1.129,649 1.811,650 3.281,651 0.655,652 3.555,653 3.871,654 4.078,655 4.304,656 4.443,657 4.5,658 4.673,659 4.82,660 4.82,661 4.905,662 8.513,663 0.604,664 440.67,665 3.555,666 5.094,667 5.922,668 6.79,669 7.633,670 8.505,671 9.356,672 10.231,673 11.088,674 11.966,675 6.3,677 2,678 1,683 1,687 2,688 9,690 1,693 3,695 16,714 63,716 18,717 2,718 34,720 66,721 24,722 14,723 4,724 8,730 4,731 5,740 1,741 1,743 2,745 14,746 10,747 1,750 2,753 1,755 2,761 1,764 32,765 5,766 3,767 7,768 1,773 4,777 0.75,778 2,788 1,789 1,792 2,793 2,796 1,814 1,815 1,819 3,821 1,823 1,827 31,830 1,833 8,834 2,837 1,838 1,847 3.2,850 2,854 15.583,855 11.033,856 6.806,857 3.765,858 3.022,859 1.383,860 1.001,861 7.209,862 10.919,863 3.807,864 4.404,865 4.863,866 5.415,867 5.874,868 6.111,869 6.54,870 6.91,871 6.852,872 7.057,873 0.9,874 42,875 11.683,877 5.103,878 7.632,879 22.747,881 19.338,883 2.132,884 66.083,887 1,888 341.362,889 129.832,890 54.326,892 44.313,894 5.807,895 124.025,896 385.675,897 54.326,898 8.396,899 16.497,900 125.081,901 44.313,902 32.04,903 13.915,904 329.591,906 341.362,907 178.35,908 44.313,909 5.807,911 282.506,912 103.168,915 70.823,916 107.528,917 5.807,919 341.362,920 98.639,921 129.832,923 5.807,924 341.362,925 30.771,926 96.378,927 51.201,928 44.313,929 341.362,930 98.639,931 129.832,933 0.579,934 0.324,935 0.164,936 0.083,937 22,938 9,939 0.152,940 10,941 1,942 1.1,943 4.447,944 263.772,945 0.1,946 20,947 147.58,950 1,951 22.191,952 10.071,953 6.03,954 2.189,955 81.853,956 18.477,958 3.326,961 3.399,963 51.201,964 569.833,965 44,968 -3.269,970 23.767,975 62.509,976 71.145,977 0.256,978 0.579,979 0.808,980 0.904,981 0.918,982 0.918,983 5.043,984 1.538,985 5.916,986 5.568,987 4.554,988 5.091,989 1.922,990 6.708,991 4.488,992 6.252,993 1.27,994 7.465,995 3.477,996 4.205,997 5.112,998 0.325,999 7.774,1000 4.084,1001 7.582,1002 1.075,1003 9.118,1004 3.224,1005 6.18,1006 7.373,1007 2.291,1008 10.727,1009 6.035,1010 8.955,1011 1,1012 10.836,1013 2.378,1014 6.661,1015 8.247,1016 0.268,1017 12.612,1018 6.446,1019 10.366,1020 0.849,1021 12.596,1022 2.136,1023 8.107,1024 10.027,1025 2.867,1026 15.142,1027 7.868,1028 11.802,1029 0.711,1030 14.386,1031 1.965,1032 8.949,1033 11.257,1034 0.188,1035 17.332,1036 8.639,1037 13.259,1038 0.477,1039 16.198,1040 1.694,1041 10.2,1042 12.867,1043 3.515,1044 19.746,1045 9.857,1046 3.221,1047 0.384,1048 18.026,1049 1.042,1050 11.206,1051 14.25,1052 0.125,1053 22.051,1054 10.795,1055 3.067,1056 10.966,1057 19.867,1058 0.611,1059 12.383,1060 15.795,1061 4.191,1062 24.434,1063 11.932,1064 2.738,1065 10.335,1066 21.718,1067 4.535,1068 13.464,1069 17.245,1070 0.082,1071 26.782,1072 12.951,1073 2.517,1074 7.882,1075 23.577,1076 4.448,1077 14.616,1078 18.764,1079 4.878,1080 29.158,1081 14.058,1082 2.262,1083 6.965,1084 25.443,1085 3.444,1086 15.732,1087 20.243,1088 0.054,1089 31.523,1090 15.115,1091 2.044,1092 6.643,1093 27.314,1094 3.073,1095 16.878,1096 21.753,1097 5.57,1098 33.899,1099 16.212,1100 1.864,1101 5.985,1102 29.19,1103 2.752,1104 18.011,1105 23.245,1106 0.035,1107 36.272,1108 17.29,1109 14531,1110 22637,1111 22.94,1112 41.239,1113 49.749,1114 51.303,1115 50.965,1116 50.038,1117 50.033,1118 64.575,1119 5.747,1120 141.744,1121 48.395,1122 5.658,1123 6.502,1124 6.533,1125 5.201,1126 5.221,1127 7.535,1128 2.833,1129 17.636,1130 5.067,1131 13.318,1132 1.463,1133 1.509,1134 1.499,1135 1.472,1136 1.472,1137 1.899,1138 0.169,1139 4.169,1140 1.423,1141 4.159,1142 4.185,1143 4.723,1144 4.098,1145 7.716,1146 4.08,1147 3.941,1148 3.987,1149 4.078,1150 3.889,1151 6.999,1152 3.85,1153 3.934,1154 3.919,1155 3.85,1156 3.857,1157 4.958,1158 3.772,1159 3.854,1160 3.894,1161 3.747,1162 3.723,1163 4.759,1164 3.718,1165 3.495,1166 3.561,1167 3.39,1168 3.377,1169 4.385,1170 3.358,1171 3.38,1172 3.458,1173 3.252,1174 3.176,1175 4.282,1176 3.18,1177 3.24,1178 3.33,1179 3.072,1180 3.05,1181 4.136,1182 3.044,1183 3.111,1184 3.187,1185 2.909,1186 2.884,1187 4.116,1188 2.86,1189 0.138,1190 0.132,1191 0.198,1192 0.122,1193 0.095,1194 4.7,1195 0.133,1196 4.502,1197 0.042,1198 6.731,1199 0.323,1200 4.158,1201 0.09,1202 3.221,1203 4.535,1204 1.416,1205 10.966,1206 3.067,1207 1.985,1208 1.975,1209 2.049,1210 2.056,1211 1.321,1212 2.081,1213 1.913,1214 1.881,1215 2.047,1216 2.01,1217 1.307,1218 2.025,1219 1.711,1220 1.715,1221 1.911,1222 1.885,1223 1.186,1224 1.904,1225 1.68,1226 1.627,1227 1.878,1228 1.841,1229 1.141,1230 1.871,1231 1.646,1232 1.6,1233 1.675,1234 1.834,1235 0.968,1236 1.857,1237 1.435,1238 1.361,1239 1.655,1240 1.663,1241 0.872,1242 1.665,1243 1.268,1244 1.187,1245 1.543,1246 1.511,1247 0.709,1248 1.532,1249 1.199,1250 1.108,1251 1.479,1252 1.445,1253 0.624,1254 1.484,1255 4.234,1257 5.549,1258 3.045,1259 7.036,1260 5.352,1261 8.597,1262 7.391,1263 10.199,1265 1.454,1271 7.505,1272 5.991,1275 0.699,1276 2.545,1280 38.077,1281 96.53,1282 218.091,1283 304.304,1284 340.304,1285 345.814,1286 345.814,1287 57.442,1288 7.897,1289 77.23,1290 85.61,1291 22,1292 12.508,1293 4.248,1294 3.459,1295 49.815,1296 159,1297 159,1298 0.15,1299 237.222,1300 403.23,1301 570.581,1302 35183,1304 21.684,1305 0.699,1306 0.61,1307 21.934,1308 18.919,1309 15.021,1310 0.442,1311 0.372,1312 11.013,1313 13.774,1314 10.579,1315 8.776,1316 15.875,1317 12.646,1318 13.72,1319 0.292,1320 0.221,1321 15.081,1322 10.405,1323 11.014,1324 0.19,1325 0.129,1326 11.913,1327 7.507,1328 8.73,1329 0.12,1330 0.071,1331 9.286,1332 5.154,1333 6.643,1334 0.079,1335 0.041,1336 7.074,1337 3.459,1338 0.245,1339 101.759,1340 0.209,1341 30.034,1342 0.384,1343 162,1344 400.975,1345 206.092,1346 414.331,1347 561.97,1348 384,1349 186,1350 381.784,1351 236.882,1352 425.049,1353 610.34,1354 397,1355 8.959} {0 CHEMBL161894,1 1.362,2 14.8,3 6.197,4 38.398,5 151.976,6 7.175,7 0.525,8 4.292,9 4.422,10 3.852,11 3.911,12 5.245,13 3.853,14 4.862,15 5.045,16 4.225,17 4.346,18 5.743,19 4.261,20 5.145,21 5.375,22 4.267,23 4.507,24 5.956,25 4.369,26 5.18,27 5.423,28 4.244,29 4.51,30 5.978,31 4.337,32 5.163,33 5.42,34 4.207,35 4.455,36 5.96,37 4.266,38 5.042,39 5.283,40 4.103,41 4.358,42 5.844,43 4.202,44 5.033,45 5.268,46 4.021,47 4.34,48 5.812,49 4.194,50 5.089,51 5.359,52 3.91,53 4.313,54 5.808,55 4.124,56 0.102,57 0.966,58 14.637,59 6.237,60 9.889,61 8.691,62 0.206,63 1.682,64 28.193,65 10.705,66 19.664,67 15.194,68 0.27,69 2.14,70 40.447,71 15.531,72 29.789,73 21.642,74 0.238,75 2.174,76 43.389,77 17.315,78 33.37,79 23.5,80 0.283,81 2.163,82 47.816,83 18.029,84 39.621,85 23.464,86 0.244,87 1.943,88 40.673,89 15.026,90 31.859,91 19.896,92 0.246,93 1.906,94 35.064,95 13.394,96 26.102,97 18.897,98 0.265,99 1.937,100 38.235,101 15.145,102 29.861,103 21.3,104 2,105 56,106 0.213,107 0.547,108 0.736,109 0.842,110 0.868,111 0.878,112 3.588,113 0.991,114 -5.92,115 -5.78,116 -5.38,119 44.8,121 4,125 5,134 1,135 1,140 10,141 6,149 1,150 1,156 1,166 1,169 21,172 5,176 4,178 25,182 3,186 7,189 23,193 4,197 5,199 16,203 6,206 1,208 5,211 10,215 7,220 5,222 9,226 4,231 4,233 11,237 3,240 1,242 1,244 17,253 1,254 1,256 18,259 2280,260 24.447,261 24.447,262 24.447,263 24.447,264 24.447,265 21.717,266 20.712,267 14.464,268 24.781,269 19.785,270 19.785,271 19.785,272 19.785,273 19.785,274 15.608,275 21.822,276 6.879,277 20.334,278 4.705,279 2.568,280 1.354,281 0.679,282 0.507,283 0.448,284 4.311,289 1,290 1174,291 3.317,294 188.819,295 406.222,298 153.152,299 170.82,302 2.4,303 14.213,306 0.75,307 0.5,308 1,309 0.8,310 0.5,311 1,312 1,313 0.79,314 72,315 518,316 4.568,317 3.811,318 6.665,319 4.111,320 3.122,321 4.515,322 1.058,323 10.704,324 3.088,325 4.549,326 3.201,327 6.566,328 4.096,329 3.11,330 4.468,331 0.8,332 10.433,333 3.07,334 4.115,335 2.999,336 6.101,337 3.773,338 2.787,339 3.555,340 0.657,341 8.909,342 2.75,343 3.841,344 2.902,345 5.71,346 3.485,347 2.545,348 3.237,350 7.682,351 2.398,352 3.562,353 2.833,354 5.368,355 3.453,356 2.509,357 2.757,359 7.026,360 2.353,361 3.433,362 2.557,363 5.286,364 3.179,365 2.216,366 2.544,368 6.631,369 2.133,370 3.326,371 2.147,372 5.104,373 2.959,374 1.975,375 2.5,377 5.939,378 1.94,379 3.118,380 1.887,381 4.497,382 2.618,383 1.618,384 2.427,386 4.423,387 1.618,388 3.041,389 1.649,390 4.377,391 2.537,392 1.563,393 2.207,395 4.052,396 1.519,397 2.862,398 1.618,399 4.106,400 2.353,401 1.395,402 1.949,404 3.462,405 1.333,406 2.748,407 1.402,408 3.931,409 2.318,410 1.334,411 1.85,413 3.315,414 1.308,415 2.682,416 1.396,417 3.577,418 2.235,419 1.248,420 1.725,422 2.773,423 1.223,424 2.346,425 1.267,426 3.52,427 2.147,428 1.167,429 1.33,431 2.739,432 1.141,433 2.198,434 1.235,435 3.414,436 1.984,437 1,438 1.048,440 2.275,441 0.983,442 2.136,443 0.874,444 3.268,445 1.739,446 0.776,447 1.035,449 1.818,450 0.745,451 17.433,452 0.498,453 0.688,454 0.02,455 43,456 1.229,457 21,458 0.6,459 22,460 0.629,461 33.337,462 0.952,463 35.967,464 0.537,465 31.408,466 0.897,467 8.201,468 0.234,469 9.042,470 0.258,471 0.048,473 0.304,479 0.948,480 1.095,481 0.741,482 0.878,483 0.741,484 0.901,485 1.386,486 1.07,487 0.854,488 0.886,489 0.76,490 0.934,491 1.165,492 1.008,493 0.948,494 0.956,495 0.829,496 0.995,497 0.916,498 1.041,499 0.978,500 1.015,501 1.013,502 1.033,503 0.91,504 1.041,505 1.191,506 1.113,507 1.214,508 0.983,509 1.192,510 1.132,511 1.22,512 1.139,513 1.252,514 1.021,515 1.371,516 1.117,517 1.021,518 1.034,519 1.112,520 1.119,521 0.96,522 0.964,523 0.901,524 0.954,525 0.885,526 1.053,527 5.5,528 0.136,529 4,530 1.889,531 1.596,532 1.069,533 0.644,534 0.284,535 0.333,536 0.2,537 22352,538 44737,539 2.227,540 47.8,542 21,543 1,545 2,547 8,550 1.762,551 2.165,552 3.82,553 0.077,559 91.221,560 1.362,561 3.498,562 4.712,563 5.387,564 5.559,565 5.618,566 3.286,567 4.651,568 5.101,569 4.041,570 2404.47,571 8.926,572 39228.4,577 406.428,578 1.069,579 5.093,580 0.138,581 0.004,582 0.071,583 0.034,584 0.032,585 0.023,586 0.014,587 0.007,588 0.009,589 0.006,590 0.338,591 0.17,592 0.63,593 0.293,594 192.72,595 0.143,596 0.004,597 0.053,598 0.021,599 0.064,600 0.039,601 -0.11,602 0.013,603 -0.009,604 0.009,605 0.051,607 -0.093,608 0.006,609 -0.026,610 -0.01,611 0.073,612 -0.028,613 -0.013,614 -0.061,615 0.02,616 -0.012,617 0.018,618 -0.04,619 0.089,620 -0.041,621 0.027,622 -0.002,623 0.042,624 0.028,625 -0.05,626 -0.103,627 -0.085,628 -0.086,629 -0.095,630 -0.036,631 -0.19,632 -0.1,633 -0.165,634 -0.139,635 -0.221,636 -0.171,637 -0.018,638 -0.014,639 -0.035,640 -0.037,641 -0.028,642 -0.076,643 0.88,644 2.126,645 0.857,646 42.735,647 0.983,648 1.115,649 4.692,650 22.017,651 0.691,652 3.714,653 4.043,654 4.357,655 4.635,656 4.836,657 4.92,658 5.094,659 5.242,660 5.352,661 5.451,662 8.711,663 0.637,664 480.73,665 3.714,666 5.263,667 6.129,668 7.009,669 7.887,670 8.771,671 9.654,672 10.54,673 11.425,674 12.312,675 6,678 2,682 1,683 1,687 4,688 11,690 1,693 3,695 21,714 67,716 23,717 3,718 40,720 72,721 30,722 18,723 6,724 10,725 3,730 6,731 8,740 3,743 4,745 21,746 9,750 2,756 1,757 1,759 2,764 32,765 3,766 2,767 5,768 1,773 4,776 1,777 0.667,788 1,789 1,792 2,793 4,796 1,797 1,810 1,811 1,815 1,819 4,821 1,827 35,833 9,834 1,838 2,854 16.167,855 11.817,856 7.583,857 4.342,858 4.616,859 1.521,860 1.051,861 6.598,862 13.471,863 3.98,864 4.593,865 5.232,866 5.847,867 6.385,868 6.711,869 7.143,870 7.506,871 7.719,872 7.827,873 0.9,874 55,875 12.968,877 5.554,878 7.362,879 26.006,881 22.418,883 1.862,884 65.167,888 353.133,889 202.463,890 40.8,894 45.192,895 157.271,896 353.133,897 40.8,899 38.555,900 113.286,901 0.713,902 43.373,903 13.915,904 341.362,905 45.192,906 353.133,907 198.071,909 45.192,911 258.964,912 94.169,915 61.467,916 127.129,917 9.476,918 45.192,919 353.133,920 40.8,921 202.463,924 353.133,925 43.985,926 119.412,927 34.674,928 45.192,929 353.133,930 40.8,931 202.463,933 0.581,934 0.347,935 0.193,936 0.098,937 29,938 11,939 0.083,940 6,941 2,942 1.133,943 4.807,944 337.474,945 0.133,946 30,947 173.525,949 1,951 22.78,952 10.138,953 4.881,954 5.029,955 24.014,956 23.845,958 3.48,961 3.872,963 34.674,964 596.396,965 52.5,971 5.793,972 2.347,974 2.211,975 65.854,976 74.726,977 0.224,978 0.577,979 0.777,980 0.888,981 0.916,982 0.926,983 5.222,984 1.618,985 6.098,986 5.939,987 4.727,988 5.281,989 1.622,990 6.907,991 4.676,992 6.417,993 1.563,994 7.649,995 4.423,996 4.205,997 5.066,998 0.325,999 7.789,1000 4.118,1001 7.723,1002 1.395,1003 9.301,1004 4.052,1005 6.315,1006 7.522,1007 1.469,1008 10.903,1009 6.223,1010 9.069,1011 1.334,1012 11.016,1013 3.462,1014 6.673,1015 8.23,1016 0.268,1017 12.651,1018 6.556,1019 10.452,1020 1.248,1021 12.771,1022 3.315,1023 8.19,1024 10.12,1025 1.445,1026 15.258,1027 8.066,1028 11.861,1029 1.167,1030 14.554,1031 2.773,1032 8.953,1033 11.258,1034 0.188,1035 17.354,1036 8.815,1037 13.291,1038 1,1039 16.358,1040 2.739,1041 10.23,1042 12.919,1043 1.478,1044 19.793,1045 10.084,1046 3.122,1047 0.776,1048 18.176,1049 2.275,1050 11.183,1051 14.257,1052 0.125,1053 22.035,1054 11.029,1055 3.11,1056 10.704,1057 20.007,1058 1.818,1059 12.362,1060 15.823,1061 1.54,1062 24.417,1063 12.2,1064 2.787,1065 10.433,1066 21.846,1067 4.515,1068 13.406,1069 17.25,1070 0.082,1071 26.722,1072 13.236,1073 2.545,1074 8.909,1075 23.693,1076 4.468,1077 14.547,1078 18.777,1079 1.615,1080 29.084,1081 14.369,1082 2.509,1083 7.682,1084 25.546,1085 3.555,1086 15.634,1087 20.245,1088 0.054,1089 31.417,1090 15.448,1091 2.216,1092 7.026,1093 27.404,1094 3.237,1095 16.762,1096 21.757,1097 1.699,1098 33.774,1099 16.568,1100 1.975,1101 6.631,1102 29.266,1103 2.757,1104 17.869,1105 23.243,1106 0.035,1107 36.119,1108 17.667,1109 20058,1110 28576,1111 28.027,1112 46.33,1113 60.206,1114 61.824,1115 60.494,1116 60.146,1117 60.067,1118 78.314,1119 5.031,1120 172.16,1121 58.44,1122 5.519,1123 5.811,1124 6.354,1125 5.151,1126 5.122,1127 7.515,1128 2.117,1129 17.827,1130 5.088,1131 7.829,1132 1.505,1133 1.546,1134 1.512,1135 1.504,1136 1.502,1137 1.958,1138 0.126,1139 4.304,1140 1.461,1141 4.155,1142 4.188,1143 4.131,1144 4.088,1145 4.989,1146 4.088,1147 4.082,1148 4.102,1149 4.082,1150 4.045,1151 4.946,1152 4.04,1153 3.851,1154 3.918,1155 3.81,1156 3.713,1157 4.714,1158 3.713,1159 3.822,1160 3.884,1161 3.717,1162 3.669,1163 4.475,1164 3.667,1165 3.52,1166 3.56,1167 3.679,1168 3.474,1169 4.338,1170 3.437,1171 3.444,1172 3.499,1173 3.328,1174 3.332,1175 4.295,1176 3.322,1177 3.301,1178 3.368,1179 3.303,1180 3.236,1181 4.163,1182 3.183,1183 3.205,1184 3.264,1185 3.094,1186 3.045,1187 3.855,1188 3.041,1189 0.114,1190 0.095,1191 0.167,1192 0.103,1193 0.078,1194 4.568,1195 0.113,1196 3.811,1197 0.026,1198 6.665,1199 0.268,1200 4.111,1201 0.077,1202 3.122,1203 4.515,1204 1.058,1205 10.704,1206 3.088,1207 2.079,1208 2.062,1209 2.153,1210 2.127,1211 1.332,1212 2.139,1213 1.993,1214 1.971,1215 2.088,1216 2.071,1217 1.295,1218 2.079,1219 1.749,1220 1.7,1221 1.923,1222 1.913,1223 1.229,1224 1.919,1225 1.666,1226 1.604,1227 1.86,1228 1.872,1229 1.211,1230 1.871,1231 1.577,1232 1.507,1233 1.852,1234 1.751,1235 1.067,1236 1.793,1237 1.508,1238 1.475,1239 1.666,1240 1.66,1241 0.872,1242 1.659,1243 1.426,1244 1.352,1245 1.639,1246 1.606,1247 0.717,1248 1.633,1249 1.257,1250 1.225,1251 1.435,1252 1.428,1253 0.69,1254 1.438,1255 4.394,1257 5.72,1258 3.045,1259 7.241,1260 5.283,1261 8.849,1262 7.273,1263 10.505,1271 10.281,1272 3.488,1276 4.82,1280 42.648,1281 91.221,1282 234.376,1283 315.699,1284 360.918,1285 372.428,1286 376.428,1287 42.922,1288 8.855,1289 34.3,1290 66.39,1291 34,1292 12.844,1293 4.585,1294 3.755,1295 47.38,1296 186,1297 166,1298 0.122,1299 260.287,1300 443.27,1301 626.86,1302 113536,1304 23.614,1305 0.675,1306 0.597,1307 24.114,1308 20.911,1309 17.242,1310 0.431,1311 0.33,1312 12.741,1313 16.658,1314 12.436,1315 10.239,1316 17.531,1317 13.208,1318 15.359,1319 0.274,1320 0.182,1321 15.73,1322 10.174,1323 13.647,1324 0.177,1325 0.102,1326 13.979,1327 7.849,1328 11.706,1329 0.115,1330 0.057,1331 12.08,1332 5.837,1333 9.23,1334 0.074,1335 0.031,1336 9.533,1337 3.848,1338 0.198,1339 108.428,1340 0.189,1341 32.845,1342 0.317,1343 192,1344 400.816,1345 213.305,1346 428.848,1347 608.18,1348 406,1349 229,1350 452.907,1351 248.57,1352 474.266,1353 698.08,1354 450,1355 7.796} {0 CHEMBL161969,1 1.486,2 14.065,3 3.002,4 9.013,5 123.382,6 7.273,7 0.6,8 4.149,9 4.282,10 3.715,11 3.682,12 5.199,13 3.662,14 4.701,15 4.891,16 4.05,17 4.1,18 5.666,19 4.052,20 4.95,21 5.171,22 4.028,23 4.247,24 5.843,25 4.142,26 5.05,27 5.3,28 3.947,29 4.242,30 5.902,31 4.108,32 5.027,33 5.298,34 3.872,35 4.154,36 5.872,37 4.021,38 4.906,39 5.167,40 3.858,41 4.078,42 5.776,43 3.962,44 4.858,45 5.119,46 3.822,47 3.998,48 5.784,49 3.889,50 4.761,51 5.022,52 3.66,53 3.877,54 5.707,55 3.762,56 0.051,57 0.907,58 12.023,59 4.856,60 9.81,61 6.761,62 0.28,63 1.472,64 22.924,65 7.976,66 19.25,67 11.496,68 0.309,69 1.712,70 30.744,71 11.491,72 30.633,73 16.375,74 0.277,75 1.775,76 35.401,77 12.999,78 41.27,79 18.728,80 0.385,81 1.695,82 35.828,83 12.183,84 49.529,85 17.794,86 0.29,87 1.553,88 31.034,89 10.663,90 36.155,91 15.66,92 0.297,93 1.472,94 29.744,95 9.997,96 39.694,97 14.667,98 0.364,99 1.31,100 27.28,101 8.726,102 44.112,103 12.804,104 2,105 48,106 0.24,107 0.58,108 0.761,109 0.857,110 0.864,111 0.864,112 3.471,113 0.922,114 -4.51,115 -4.43,116 -4.17,119 42.1,121 2,125 5,140 8,141 3,142 1,149 1,150 1,156 1,158 2,164 1,169 11,171 3,172 4,176 3,178 11,181 2,182 5,186 3,189 8,193 9,197 1,199 3,203 11,206 1,211 2,215 10,218 1,222 1,226 9,229 2,233 1,236 1,237 7,240 1,244 3,249 2,252 1,256 5,259 1638,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.016,266 23.695,267 12.943,268 21.995,269 17.33,270 17.33,271 17.33,272 17.33,273 17.33,274 13.495,275 25.93,276 6.192,277 17.989,278 4.347,279 2.248,280 1.127,281 0.54,282 0.491,283 0.491,284 4.185,288 1,289 1,290 979,291 2.915,294 161.896,295 309.95,298 137.388,302 2.2,303 18.551,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 436,316 4.568,317 3.752,318 6.566,319 4.099,320 3.118,321 4.518,322 1.989,323 10.431,324 3.062,325 4.129,326 3.196,327 6.096,328 3.839,329 2.885,330 3.732,331 0.933,332 8.885,333 2.747,334 4.032,335 2.934,336 6.074,337 3.688,338 2.752,339 3.459,340 0.564,341 8.8,342 2.577,343 3.886,344 2.883,345 5.531,346 3.54,347 2.56,348 3.142,349 0.181,350 7.499,351 2.513,352 3.432,353 2.386,354 5.131,355 3.064,356 2.112,357 2.811,359 6.027,360 2.022,361 3.252,362 2.332,363 5,364 2.992,365 2.025,366 2.592,368 5.939,369 1.934,370 3.225,371 2.158,372 4.515,373 2.732,374 1.778,375 2.308,377 4.655,378 1.693,379 2.83,380 1.794,381 4.213,382 2.54,383 1.535,384 1.933,386 3.87,387 1.531,388 2.784,389 1.524,390 4.122,391 2.41,392 1.414,393 1.859,395 3.452,396 1.406,397 2.71,398 1.36,399 3.595,400 2.282,401 1.3,402 1.711,404 3.038,405 1.274,406 2.5,407 1.162,408 3.472,409 2.073,410 1.109,411 1.5,413 2.509,414 1.066,415 2.416,416 1,417 3.32,418 2,419 1,420 1.382,422 2.136,423 1,424 2.236,425 0.958,426 3.247,427 1.862,428 0.897,429 1.176,431 2.101,432 0.864,433 2.118,434 0.839,435 3.184,436 1.577,437 0.619,438 0.927,440 1.501,441 0.592,442 1.987,443 0.648,444 3,445 1.518,446 0.618,447 0.834,449 1.372,450 0.556,451 14.733,452 0.475,453 0.585,454 0.019,455 40.5,456 1.306,457 19.5,458 0.629,459 21,460 0.677,461 25.28,462 0.815,463 32.667,464 0.573,465 28.842,466 0.93,467 8.104,468 0.261,469 7.155,470 0.231,471 0.023,473 0.285,479 0.755,480 1.413,481 0.785,482 1.115,483 0.508,484 0.977,485 0.983,486 1.03,487 0.972,488 0.931,489 0.613,490 0.935,491 0.929,492 1.028,493 1.077,494 1.105,495 0.954,496 1.111,497 0.979,498 1.077,499 1.044,500 1.129,501 1.169,502 1.109,503 1.14,504 0.926,505 0.999,506 0.948,507 1.379,508 0.964,509 0.99,510 0.988,511 0.957,512 0.987,513 0.953,514 0.972,515 1.047,516 1.024,517 0.945,518 1.015,519 1.109,520 0.978,521 1.29,522 0.925,523 1.075,524 0.968,525 1.503,526 0.993,527 5,528 0.14,529 3.111,530 1.507,531 1.188,532 0.708,533 0.606,534 0.318,535 0.215,536 0.142,537 16071,538 38360,539 2.2,540 45.6,541 2,542 18,543 1,544 2,545 1,547 2,550 1.73,551 2.138,552 3.754,553 -0.361,555 1,559 84.714,560 1.486,561 3.585,562 4.705,563 5.293,564 5.342,565 5.342,566 3.244,567 4.503,568 4.926,569 3.955,570 1839.26,571 8.569,572 27738.7,574 1,577 332.475,578 1.058,579 4.918,580 0.143,581 0.006,582 0.065,583 0.033,584 0.03,585 0.019,586 0.016,587 0.009,588 0.007,589 0.006,590 0.334,591 0.17,592 0.88,593 0.32,594 164.991,595 0.061,596 -0.211,597 0.082,598 -0.083,599 0.062,600 -0.015,601 -0.004,602 0.117,603 -0.043,604 0.044,605 0.01,606 0.006,607 -0.025,608 -0.014,609 -0.131,610 -0.092,611 -0.043,612 -0.119,613 -0.06,614 -0.144,615 -0.069,616 -0.115,617 -0.076,618 -0.098,619 -0.073,620 -0.012,621 0.011,622 0.037,623 -0.112,624 0.032,625 -0.021,626 -0.037,627 0.035,628 -0.003,629 0.032,630 0.02,631 0.033,632 -0.077,633 0.061,634 -0.042,635 0.066,636 0.004,637 -0.042,638 0.028,639 -0.054,640 -0.014,641 -0.04,642 -0.03,643 1.434,644 5.639,645 0.839,646 35.609,647 0.996,648 1.129,649 3.276,650 10.734,651 0.668,652 3.584,653 3.892,654 4.174,655 4.431,656 4.595,657 4.673,658 4.812,659 4.949,660 4.99,661 5.043,662 8.213,663 0.634,664 414.56,665 3.584,666 5.118,667 5.969,668 6.836,669 7.699,670 8.572,671 9.441,672 10.316,673 11.188,674 12.066,675 10.5,678 1,682 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 57,716 22,717 2,718 35,720 61,721 24,722 16,723 4,724 8,730 5,731 6,743 2,745 17,746 7,750 1,755 1,759 1,761 1,764 26,765 5,766 1,767 7,773 6,777 0.8,778 1,788 1,792 2,793 3,796 1,806 1,815 1,819 4,827 31,833 7,838 2,844 1,847 1.8,850 1,854 14.5,855 10.083,856 6.778,857 3.483,858 3.575,859 1.44,860 1.026,861 5.831,862 11.7,863 3.861,864 4.443,865 5.029,866 5.607,867 6.032,868 6.361,869 6.808,870 7.237,871 7.433,872 7.664,873 1,874 45,875 11.465,877 4.877,878 7.565,879 22.428,881 18.793,883 2.065,884 64,887 1,888 294.278,889 136.242,890 58.259,892 25.145,895 136.242,896 319.422,897 58.259,899 18.722,900 84.857,901 103.955,902 33.51,903 13.915,904 258.964,906 294.278,907 194.501,908 25.145,911 270.735,912 48.687,915 57.768,916 103.407,917 33.326,919 294.278,920 83.404,921 136.242,924 294.278,925 34.147,926 110.242,927 16.786,928 58.471,929 294.278,930 83.404,931 136.242,933 0.576,934 0.338,935 0.184,936 0.092,937 24,938 9,939 0.115,940 7,941 1,942 1.077,943 4.509,944 275.295,945 0.077,946 26,947 145.58,951 19.983,952 9.046,953 4.555,954 2.336,955 64.72,956 22.158,957 7.78,958 3.359,961 3.581,962 1.907,963 16.786,964 513.924,965 46.5,970 12.639,974 0.232,975 56.774,976 64.351,977 0.255,978 0.615,979 0.807,980 0.907,981 0.916,982 0.916,983 5.083,984 1.535,985 5.927,986 4.655,987 4.575,988 5.13,989 2.276,990 6.706,991 4.504,992 6.263,993 1.414,994 7.459,995 3.87,996 4.007,997 4.783,998 1.738,999 7.516,1000 3.9,1001 7.55,1002 1.3,1003 9.091,1004 3.452,1005 6.133,1006 7.301,1007 3.134,1008 10.615,1009 5.991,1010 8.874,1011 1.109,1012 10.784,1013 3.038,1014 6.447,1015 7.892,1016 3.231,1017 12.291,1018 6.267,1019 10.234,1020 1,1021 12.517,1022 2.509,1023 7.972,1024 9.805,1025 4.309,1026 14.868,1027 7.764,1028 11.62,1029 0.897,1030 14.278,1031 2.136,1032 8.696,1033 10.851,1034 4.692,1035 16.899,1036 8.455,1037 13.026,1038 0.619,1039 16.058,1040 2.101,1041 9.973,1042 12.515,1043 5.596,1044 19.299,1045 9.707,1046 3.118,1047 0.618,1048 17.853,1049 1.501,1050 10.894,1051 13.791,1052 6.12,1053 21.486,1054 10.601,1055 2.885,1056 10.431,1057 19.659,1058 1.372,1059 12.065,1060 15.352,1061 6.927,1062 23.826,1063 11.75,1064 2.752,1065 8.885,1066 21.474,1067 4.518,1068 13.081,1069 16.743,1070 7.525,1071 26.084,1072 12.744,1073 2.56,1074 8.8,1075 23.296,1076 3.732,1077 14.21,1078 18.263,1079 8.279,1080 28.407,1081 13.853,1082 2.112,1083 7.499,1084 25.125,1085 3.459,1086 15.273,1087 19.711,1088 8.917,1089 30.699,1090 14.897,1091 2.025,1092 6.027,1093 26.958,1094 3.142,1095 16.387,1096 21.217,1097 9.641,1098 33.021,1099 15.993,1100 1.778,1101 5.939,1102 28.795,1103 2.811,1104 17.474,1105 22.693,1106 10.301,1107 35.332,1108 17.063,1109 14627,1110 22764,1111 24.444,1112 38.103,1113 52.59,1114 52.881,1115 52.211,1116 51.951,1117 52.001,1118 68.393,1119 7.333,1120 145.792,1121 50.214,1122 5.568,1123 5.752,1124 6.367,1125 5.167,1126 5.118,1127 7.518,1128 3.466,1129 17.096,1130 5.062,1131 7.232,1132 1.503,1133 1.511,1134 1.492,1135 1.484,1136 1.486,1137 1.954,1138 0.21,1139 4.165,1140 1.435,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 7.427,1146 4.069,1147 3.947,1148 3.992,1149 3.869,1150 3.861,1151 5.135,1152 3.856,1153 3.834,1154 3.907,1155 3.79,1156 3.634,1157 4.927,1158 3.653,1159 3.796,1160 3.85,1161 3.716,1162 3.572,1163 4.754,1164 3.61,1165 3.52,1166 3.59,1167 3.377,1168 3.364,1169 4.285,1170 3.362,1171 3.292,1172 3.359,1173 3.188,1174 3.124,1175 4.245,1176 3.13,1177 3.162,1178 3.231,1179 3.049,1180 2.977,1181 3.99,1182 2.976,1183 3.131,1184 3.196,1185 2.945,1186 2.937,1187 3.78,1188 2.932,1189 0.131,1190 0.107,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.752,1197 0.057,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 1.989,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.06,1210 2.062,1211 1.33,1212 2.062,1213 1.921,1214 1.888,1215 2.041,1216 2.044,1217 1.241,1218 2.042,1219 1.77,1220 1.712,1221 1.952,1222 1.946,1223 1.135,1224 1.955,1225 1.633,1226 1.577,1227 1.834,1228 1.813,1229 1.056,1230 1.825,1231 1.406,1232 1.334,1233 1.585,1234 1.664,1235 0.749,1236 1.643,1237 1.32,1238 1.253,1239 1.492,1240 1.529,1241 0.698,1242 1.53,1243 1.14,1244 1.062,1245 1.452,1246 1.442,1247 0.581,1248 1.399,1249 1.102,1250 1.052,1251 1.367,1252 1.363,1253 0.558,1254 1.379,1255 4.263,1257 5.572,1258 3.045,1259 7.069,1260 5.283,1261 8.652,1262 7.286,1263 10.28,1271 5.759,1276 4.249,1280 36.111,1281 84.714,1282 204.363,1283 268.21,1284 301.72,1285 304.475,1286 304.475,1287 41.933,1288 8.124,1289 70.05,1290 70.05,1291 28,1292 12.605,1293 4.524,1294 3.644,1295 43.988,1296 156,1297 146,1298 0.135,1299 219.508,1300 366.75,1301 527.359,1302 45867,1304 21.045,1305 0.679,1306 0.563,1307 21.045,1308 17.445,1309 15.259,1310 0.436,1311 0.307,1312 10.605,1313 14.686,1314 10.401,1315 8.586,1316 15.259,1317 10.752,1318 13.466,1319 0.281,1320 0.169,1321 13.466,1322 8.094,1323 11.666,1324 0.182,1325 0.094,1326 11.666,1327 5.989,1328 9.845,1329 0.119,1330 0.052,1331 9.845,1332 4.299,1333 7.455,1334 0.076,1335 0.03,1336 7.455,1337 2.932,1338 0.221,1339 95.349,1340 0.202,1341 29.883,1342 0.349,1343 166,1344 432.294,1345 179.732,1346 424.612,1347 590.23,1348 400,1349 195,1350 443.817,1351 210.565,1352 451.246,1353 653.98,1354 424,1355 6.762} {0 CHEMBL161970,1 1.47,2 14.844,3 3.323,4 11.044,5 128.137,6 7.143,7 0.583,8 4.194,9 4.328,10 3.743,11 3.725,12 5.228,13 3.7,14 4.751,15 4.945,16 4.073,17 4.143,18 5.697,19 4.088,20 5.008,21 5.237,22 4.05,23 4.291,24 5.878,25 4.18,26 5.095,27 5.344,28 3.959,29 4.288,30 5.932,31 4.144,32 5.107,33 5.394,34 3.881,35 4.187,36 5.907,37 4.041,38 4.936,39 5.203,40 3.897,41 4.101,42 5.79,43 3.991,44 4.886,45 5.123,46 3.876,47 4.086,48 5.824,49 3.975,50 4.918,51 5.198,52 3.7,53 4.01,54 5.752,55 3.866,56 0.059,57 0.945,58 12.965,59 5.191,60 10.2,61 7.309,62 0.29,63 1.535,64 24.591,65 8.573,66 19.97,67 12.49,68 0.342,69 1.794,70 33.171,71 12.232,72 31.744,73 17.622,74 0.265,75 1.849,76 36.974,77 13.866,78 40.455,79 20.016,80 0.418,81 1.789,82 39.386,83 13.149,84 51.091,85 19.55,86 0.327,87 1.596,88 32.288,89 10.702,90 36.016,91 15.945,92 0.299,93 1.548,94 29.902,95 10.448,96 41.236,97 15.101,98 0.34,99 1.513,100 32.173,101 10.499,102 40.86,103 15.742,104 2,105 49,106 0.236,107 0.567,108 0.752,109 0.859,110 0.867,111 0.867,112 3.502,113 0.938,114 -4.71,115 -4.63,116 -4.35,119 41.7,121 3,125 5,140 8,141 3,142 1,149 1,150 1,156 1,158 2,164 1,169 12,171 3,172 4,176 3,178 13,181 2,182 4,186 3,189 10,193 9,197 1,199 4,203 12,206 1,211 2,215 10,218 1,222 1,226 9,229 2,233 1,236 1,237 8,244 2,249 3,252 2,256 4,259 1818,260 22.292,261 22.292,262 22.292,263 22.292,264 22.292,265 19.723,266 23.372,267 13.391,268 22.711,269 17.813,270 17.813,271 17.813,272 17.813,273 17.813,274 13.968,275 22.445,276 6.399,277 18.479,278 4.437,279 2.368,280 1.213,281 0.546,282 0.5,283 0.5,284 4.215,288 1,289 1,290 1063,291 3.082,294 171.116,295 327.493,298 145.765,302 2.363,303 18.826,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 475,316 4.568,317 3.751,318 6.566,319 4.099,320 3.118,321 4.518,322 1.989,323 10.431,324 3.062,325 4.129,326 3.196,327 6.095,328 3.829,329 2.876,330 3.731,331 0.835,332 8.884,333 2.738,334 4.018,335 2.885,336 6.072,337 3.689,338 2.752,339 3.447,340 0.543,341 8.778,342 2.577,343 3.88,344 2.738,345 5.346,346 3.508,347 2.513,348 3.146,350 6.987,351 2.501,352 3.44,353 2.699,354 5.244,355 3.192,356 2.259,357 2.812,359 6.606,360 2.108,361 3.29,362 2.269,363 5.125,364 2.997,365 2.022,366 2.593,368 5.997,369 1.959,370 3.24,371 2.182,372 4.514,373 2.73,374 1.776,375 2.301,377 4.655,378 1.69,379 2.941,380 1.795,381 4.198,382 2.571,383 1.566,384 2.1,386 3.837,387 1.567,388 2.742,389 1.58,390 4.132,391 2.41,392 1.414,393 1.847,395 3.478,396 1.4,397 2.685,398 1.372,399 3.636,400 2.313,401 1.327,402 1.652,404 3.123,405 1.307,406 2.5,407 1.171,408 3.48,409 2.094,410 1.129,411 1.5,413 2.547,414 1.087,415 2.428,416 1,417 3.322,418 2,419 1,420 1.402,422 2.136,423 1,424 2.261,425 0.97,426 3.247,427 1.868,428 0.902,429 1.204,431 2.108,432 0.869,433 2.118,434 0.925,435 3.203,436 1.71,437 0.735,438 0.927,440 1.71,441 0.715,442 2.004,443 0.706,444 3.133,445 1.537,446 0.618,447 0.868,449 1.392,450 0.556,451 15.233,452 0.476,453 0.585,454 0.018,455 41,456 1.281,457 19.5,458 0.609,459 21.5,460 0.672,461 27.093,462 0.847,463 33.967,464 0.566,465 29.084,466 0.909,467 8.128,468 0.254,469 7.631,470 0.238,471 0.022,473 0.276,479 0.755,480 1.417,481 0.805,482 1.128,483 0.508,484 0.995,485 0.975,486 1.048,487 0.985,488 0.957,489 0.609,490 0.958,491 0.948,492 0.983,493 1.07,494 1.064,495 0.946,496 1.08,497 0.935,498 1.137,499 1.072,500 1.201,501 1.164,502 1.171,503 1.099,504 0.9,505 0.938,506 0.898,507 1.302,508 0.906,509 1.072,510 0.917,511 0.921,512 0.885,513 0.968,514 0.882,515 1.172,516 1.127,517 1.089,518 1.141,519 1.383,520 1.119,521 1.111,522 0.936,523 1.046,524 0.981,525 1.096,526 1,527 5,528 0.095,529 3.333,530 1.257,531 1.188,532 0.931,533 0.446,534 0.296,535 0.247,536 0.193,537 17912,538 41981,539 2.194,540 46.7,541 2,542 18,543 1,544 2,545 1,547 4,550 1.738,551 2.133,552 3.832,553 -0.372,559 88.201,560 1.47,561 3.539,562 4.694,563 5.361,564 5.407,565 5.407,566 3.296,567 4.5,568 4.971,569 4.036,570 2001.97,571 8.656,572 31412.1,574 1,577 354.413,578 1.043,579 4.964,580 0.139,581 0.004,582 0.068,583 0.027,584 0.03,585 0.025,586 0.011,587 0.008,588 0.008,589 0.007,590 0.328,591 0.17,592 0.88,593 0.313,594 172.941,595 0.068,596 -0.205,597 0.081,598 -0.08,599 0.07,600 -0.014,601 0.007,602 0.101,603 -0.043,604 0.029,605 0.018,606 -0.004,607 -0.032,608 0.033,609 -0.115,610 -0.052,611 -0.04,612 -0.086,613 -0.047,614 -0.199,615 -0.106,616 -0.177,617 -0.075,618 -0.156,619 -0.037,620 -0.004,621 0.078,622 0.077,623 -0.068,624 0.086,625 -0.039,626 0.047,627 0.079,628 0.085,629 0.031,630 0.097,631 -0.042,632 -0.138,633 -0.105,634 -0.152,635 -0.058,636 -0.142,637 -0.07,638 0.001,639 -0.037,640 -0.022,641 -0.036,642 -0.023,643 1.419,644 5.609,645 0.813,646 39.152,647 0.994,648 1.129,649 3.484,650 12.137,651 0.664,652 3.611,653 3.912,654 4.19,655 4.431,656 4.595,657 4.673,658 4.787,659 4.92,660 4.99,661 5.05,662 8.659,663 0.627,664 428.59,665 3.611,666 5.142,667 5.989,668 6.851,669 7.711,670 8.579,671 9.444,672 10.316,673 11.185,674 12.059,675 10,678 1,682 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 60,716 22,717 2,718 36,720 64,721 25,722 16,723 4,724 8,730 5,731 6,743 3,745 17,746 8,750 1,755 1,759 1,764 28,765 5,766 1,767 7,773 6,777 0.8,778 1,788 1,792 2,793 3,796 1,806 1,815 1,819 4,827 32,833 8,838 2,844 1,847 1.7,850 1,854 15,855 10.583,856 7.028,857 3.733,858 3.547,859 1.434,860 1.02,861 6.33,862 11.719,863 3.882,864 4.454,865 5.035,866 5.604,867 6.026,868 6.353,869 6.79,870 7.214,871 7.417,872 7.643,873 0.9,874 46,875 11.843,877 5.018,878 7.547,879 23.244,881 19.46,883 2.047,884 65.5,887 1,888 317.82,889 138.776,890 58.259,892 25.145,895 138.776,896 342.965,897 58.259,899 21.256,900 84.857,901 103.955,902 33.51,903 13.915,904 282.506,906 317.82,907 197.036,908 25.145,911 270.735,912 72.229,915 60.303,916 103.407,917 33.326,919 317.82,920 83.404,921 138.776,924 317.82,925 36.682,926 110.242,927 16.786,928 58.471,929 317.82,930 83.404,931 138.776,933 0.574,934 0.336,935 0.181,936 0.091,937 24,938 9,939 0.125,940 8,941 1,942 1.077,943 4.63,944 283.684,945 0.077,946 26,947 152,951 20.927,952 9.68,953 4.951,954 2.372,955 64.72,956 22.259,957 7.794,958 3.375,961 3.65,962 1.916,963 16.786,964 540,965 47.5,970 12.609,974 0.248,975 59.658,976 67.766,977 0.249,978 0.599,979 0.795,980 0.908,981 0.915,982 0.915,983 5.101,984 1.566,985 5.943,986 4.655,987 4.595,988 5.142,989 2.218,990 6.713,991 4.526,992 6.276,993 1.414,994 7.47,995 3.837,996 4.007,997 4.783,998 1.738,999 7.516,1000 3.9,1001 7.56,1002 1.327,1003 9.098,1004 3.478,1005 6.146,1006 7.305,1007 3.112,1008 10.608,1009 6.007,1010 8.881,1011 1.129,1012 10.788,1013 3.123,1014 6.447,1015 7.892,1016 3.224,1017 12.284,1018 6.269,1019 10.239,1020 1,1021 12.518,1022 2.547,1023 7.977,1024 9.805,1025 4.302,1026 14.855,1027 7.773,1028 11.623,1029 0.902,1030 14.277,1031 2.136,1032 8.691,1033 10.849,1034 4.689,1035 16.887,1036 8.454,1037 13.027,1038 0.735,1039 16.055,1040 2.108,1041 9.969,1042 12.514,1043 5.593,1044 19.285,1045 9.709,1046 3.118,1047 0.618,1048 17.848,1049 1.71,1050 10.884,1051 13.79,1052 6.118,1053 21.474,1054 10.597,1055 2.876,1056 10.431,1057 19.653,1058 1.392,1059 12.056,1060 15.351,1061 6.925,1062 23.814,1063 11.748,1064 2.752,1065 8.884,1066 21.467,1067 4.518,1068 13.069,1069 16.742,1070 7.524,1071 26.074,1072 12.738,1073 2.513,1074 8.778,1075 23.289,1076 3.731,1077 14.197,1078 18.262,1079 8.277,1080 28.397,1081 13.847,1082 2.259,1083 6.987,1084 25.116,1085 3.447,1086 15.258,1087 19.71,1088 8.915,1089 30.691,1090 14.889,1091 2.022,1092 6.606,1093 26.949,1094 3.146,1095 16.372,1096 21.216,1097 9.639,1098 33.014,1099 15.985,1100 1.776,1101 5.997,1102 28.786,1103 2.812,1104 17.458,1105 22.692,1106 10.3,1107 35.326,1108 17.055,1109 16332,1110 25179,1111 25.137,1112 39.864,1113 53.88,1114 54.087,1115 53.524,1116 53.243,1117 53.278,1118 69.672,1119 6.732,1120 148.351,1121 51.486,1122 5.568,1123 5.751,1124 6.367,1125 5.167,1126 5.118,1127 7.518,1128 3.465,1129 17.096,1130 5.062,1131 7.457,1132 1.497,1133 1.502,1134 1.487,1135 1.479,1136 1.48,1137 1.935,1138 0.187,1139 4.121,1140 1.43,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 7.427,1146 4.07,1147 3.943,1148 3.988,1149 3.862,1150 3.866,1151 5.135,1152 3.858,1153 3.842,1154 3.909,1155 3.79,1156 3.65,1157 4.927,1158 3.667,1159 3.815,1160 3.876,1161 3.74,1162 3.578,1163 4.752,1164 3.617,1165 3.543,1166 3.611,1167 3.406,1168 3.38,1169 4.305,1170 3.38,1171 3.35,1172 3.42,1173 3.224,1174 3.201,1175 4.248,1176 3.194,1177 3.245,1178 3.317,1179 3.105,1180 3.078,1181 4.002,1182 3.077,1183 3.139,1184 3.197,1185 2.981,1186 2.937,1187 3.84,1188 2.934,1189 0.127,1190 0.104,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.751,1197 0.055,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 1.989,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.066,1210 2.06,1211 1.34,1212 2.061,1213 1.925,1214 1.893,1215 2.045,1216 2.042,1217 1.26,1218 2.042,1219 1.787,1220 1.726,1221 1.969,1222 1.971,1223 1.17,1224 1.979,1225 1.644,1226 1.588,1227 1.843,1228 1.824,1229 1.075,1230 1.834,1231 1.42,1232 1.348,1233 1.652,1234 1.671,1235 0.864,1236 1.655,1237 1.377,1238 1.31,1239 1.56,1240 1.585,1241 0.736,1242 1.593,1243 1.254,1244 1.185,1245 1.477,1246 1.454,1247 0.637,1248 1.477,1249 1.116,1250 1.054,1251 1.417,1252 1.442,1253 0.577,1254 1.38,1255 4.29,1257 5.595,1258 3.045,1259 7.086,1260 5.283,1261 8.662,1262 7.286,1263 10.284,1271 6.976,1276 4.3,1280 37.638,1281 88.201,1282 212.36,1283 281.659,1284 321.659,1285 324.413,1286 324.413,1287 44.419,1288 8.171,1289 70.05,1290 70.05,1291 28,1292 12.601,1293 4.524,1294 3.644,1295 46.126,1296 170,1297 160,1298 0.13,1299 229.1,1300 384.05,1301 550.764,1302 49685,1304 21.753,1305 0.68,1306 0.567,1307 21.753,1308 18.152,1309 15.759,1310 0.438,1311 0.313,1312 11.105,1313 15.183,1314 10.897,1315 8.988,1316 15.759,1317 11.252,1318 13.808,1319 0.282,1320 0.172,1321 13.808,1322 8.409,1323 11.982,1324 0.184,1325 0.097,1326 11.982,1327 6.299,1328 9.951,1329 0.12,1330 0.054,1331 9.951,1332 4.454,1333 7.52,1334 0.077,1335 0.031,1336 7.52,1337 3.03,1338 0.213,1339 98.349,1340 0.199,1341 30.837,1342 0.331,1343 170,1344 436.294,1345 183.732,1346 428.509,1347 595.87,1348 404,1349 199,1350 447.817,1351 214.398,1352 454.631,1353 658.44,1354 428,1355 8.284} {0 CHEMBL162011,1 1.481,2 14,3 5.615,4 31.533,5 144.263,6 7.359,7 0.525,8 4.286,9 4.396,10 3.983,11 3.916,12 5.222,13 3.854,14 4.877,15 5.044,16 4.32,17 4.36,18 5.945,19 4.275,20 5.157,21 5.365,22 4.389,23 4.537,24 6.059,25 4.401,26 5.244,27 5.456,28 4.344,29 4.517,30 6.27,31 4.38,32 5.216,33 5.453,34 4.225,35 4.43,36 6.209,37 4.298,38 5.106,39 5.341,40 4.141,41 4.379,42 6,43 4.245,44 5.079,45 5.308,46 4.071,47 4.364,48 5.952,49 4.21,50 5.076,51 5.344,52 3.903,53 4.247,54 5.905,55 4.068,56 0.107,57 0.96,58 17.181,59 6.703,60 13.864,61 8.588,62 0.389,63 1.667,64 29.163,65 11.495,66 49.882,67 15.209,68 0.248,69 2.125,70 44.773,71 17.332,72 32.205,73 21.958,74 0.394,75 2.197,76 49.223,77 18.442,78 75.453,79 22.917,80 0.427,81 2.11,82 46.21,83 17.171,84 75.882,85 22.246,86 0.307,87 1.934,88 39.118,89 15.137,90 49.545,91 20.329,92 0.249,93 1.925,94 38.205,95 14.915,96 42.003,97 20.078,98 0.333,99 1.844,100 39.547,101 14.982,102 48.212,103 20.365,104 5,105 58,106 0.231,107 0.542,108 0.73,109 0.837,110 0.859,111 0.869,112 3.588,113 1.052,114 -4.87,115 -4.78,116 -4.48,119 43.9,121 4,125 5,134 1,135 1,140 10,141 5,142 1,149 1,150 1,169 19,171 3,172 5,176 3,178 22,182 8,186 3,189 20,193 15,197 1,199 15,203 14,206 1,208 1,211 12,215 9,220 2,222 12,226 7,231 2,233 13,237 7,240 1,244 16,249 2,256 18,259 2181,260 24.134,261 24.134,262 24.134,263 24.134,264 24.134,265 21.256,266 19.906,267 14.065,268 24.498,269 19.76,270 19.76,271 19.76,272 19.76,273 19.76,274 15.307,275 19.385,276 6.643,277 20.365,278 4.564,279 2.577,280 1.375,281 0.69,282 0.545,283 0.485,284 4.308,289 1,290 1108,291 3.606,294 186.928,295 395.476,298 150.975,299 165.41,302 2.171,303 30.626,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 73.5,315 490,316 4.983,317 4.745,318 7.733,319 4.487,320 3.56,321 4.876,322 0.8,323 13.971,324 3.279,325 4.568,326 3.2,327 6.566,328 4.107,329 3.118,330 4.515,331 0.657,332 10.433,333 3.085,334 4.321,335 2.992,336 6.389,337 3.845,338 2.852,339 4.167,341 9.601,342 2.829,343 4.096,344 2.848,345 6.093,346 3.714,347 2.72,348 3.548,350 8.877,351 2.7,352 3.56,353 2.809,354 5.425,355 3.464,356 2.533,357 2.753,359 7.026,360 2.357,361 3.377,362 2.43,363 5.367,364 3.025,365 2.056,366 2.618,368 6.223,369 1.994,370 3.3,371 2.142,372 5.105,373 2.917,374 1.947,375 2.506,377 5.935,378 1.877,379 3.129,380 1.708,381 4.608,382 2.624,383 1.632,384 2.427,386 4.684,387 1.618,388 3.118,389 1.618,390 4.38,391 2.618,392 1.618,393 2.335,395 3.976,396 1.617,397 2.774,398 1.505,399 4.118,400 2.341,401 1.363,402 1.897,404 3.564,405 1.332,406 2.744,407 1.397,408 4.002,409 2.285,410 1.307,411 1.827,413 3.292,414 1.277,415 2.624,416 1.373,417 3.587,418 2.239,419 1.25,420 1.598,422 2.786,423 1.232,424 2.344,425 1.257,426 3.52,427 2.126,428 1.146,429 1.326,431 2.737,432 1.121,433 2.228,434 1.228,435 3.414,436 1.984,437 1,438 1.075,440 2.275,441 0.983,442 2.136,443 0.864,444 3.33,445 1.735,446 0.769,447 1.048,449 1.809,450 0.74,451 17.2,452 0.491,453 0.838,454 0.024,455 44.75,456 1.279,457 22.5,458 0.643,459 22.25,460 0.636,461 32.52,462 0.929,463 36.8,464 0.558,465 34.837,466 0.995,467 8.306,468 0.237,469 8.786,470 0.251,471 0.039,472 0.048,473 0.279,479 0.539,480 1.264,481 0.838,482 1.136,483 0.615,484 0.947,485 0.775,486 0.998,487 0.884,488 0.883,489 0.531,490 0.924,491 0.879,492 1.062,493 1.166,494 1.14,495 0.72,496 1.026,497 1.468,498 1.086,499 1.204,500 1.135,501 1.636,502 1.058,503 1.371,504 0.975,505 0.993,506 0.96,507 1.508,508 0.952,509 1.055,510 0.999,511 0.904,512 0.923,513 1.024,514 0.977,515 0.869,516 1.147,517 1.063,518 1.117,519 0.69,520 1.157,521 0.912,522 0.927,523 0.92,524 0.933,525 0.86,526 1.002,527 6.5,528 0.167,529 5.111,530 2.639,531 1.814,532 1.298,533 0.765,534 0.379,535 0.367,536 0.284,537 21000,538 44652,539 2.202,540 47,542 21,543 1,545 1,547 8,550 1.764,551 2.111,552 3.737,553 -0.43,559 97.714,560 1.481,561 3.468,562 4.67,563 5.355,564 5.499,565 5.56,566 3.218,567 4.708,568 5.1,569 3.949,570 2349.38,571 8.935,572 37108.9,577 398.93,578 1.32,579 5.078,580 0.162,581 0.005,582 0.088,583 0.045,584 0.033,585 0.025,586 0.016,587 0.009,588 0.01,589 0.008,590 0.402,591 0.17,592 0.75,593 0.383,594 190.725,595 0.15,596 -0.121,597 0.209,598 -0.044,599 -0.105,600 0.039,601 0.207,602 0.112,603 0.049,604 0.082,605 0.236,606 0.023,607 -0.023,608 -0.02,609 -0.028,610 -0.046,611 0.055,612 -0.023,613 -0.117,614 -0.098,615 -0.09,616 -0.081,617 -0.061,618 -0.077,619 -0.068,620 -0.012,621 -0.006,622 0.007,623 -0.043,624 0.019,625 -0.078,626 -0.02,627 -0.008,628 0.012,629 -0.057,630 -0.002,631 -0.073,632 -0.142,633 -0.141,634 -0.159,635 -0.01,636 -0.178,637 -0.02,638 0.025,640 0.003,641 -0.012,642 -0.016,643 4.48,644 6.499,645 0.857,646 40.302,647 0.991,648 1.116,649 3.641,650 13.254,651 0.685,652 3.714,653 4.078,654 4.407,655 4.682,656 4.89,657 5.004,658 5.193,659 5.318,660 5.447,661 5.58,662 8.197,663 0.637,664 485.7,665 3.714,666 5.283,667 6.163,668 7.062,669 7.956,670 8.86,671 9.759,672 10.665,673 11.567,674 12.475,675 4.5,678 2,683 1,687 4,688 11,690 1,693 3,695 21,714 66,716 24,717 3,718 40,720 71,721 29,722 18,723 6,724 10,725 2,730 6,731 8,740 3,743 4,745 20,746 9,750 3,753 1,755 2,757 1,759 1,764 31,765 4,766 1,767 6,768 1,773 3,777 0.667,778 2,788 1,789 1,792 2,793 4,796 1,797 1,810 1,811 1,815 1,819 4,821 1,827 35,830 1,833 9,838 2,847 3,850 2,854 16.583,855 11.65,856 7.472,857 4.256,858 4.619,859 1.522,860 1.059,861 6.073,862 13.474,863 3.998,864 4.661,865 5.289,866 5.899,867 6.45,868 6.799,869 7.252,870 7.611,871 7.862,872 8.077,873 1,874 59,875 13.29,877 6.069,878 7.564,879 25.878,881 22.814,883 2.064,884 72.25,888 353.133,889 160.731,890 21.428,892 44.313,894 5.807,895 154.923,896 397.446,897 21.428,899 20.667,900 119.094,901 44.313,902 40.255,903 13.915,904 341.362,906 353.133,907 176.352,908 44.313,909 5.807,911 258.964,912 138.482,915 42.095,916 124.78,917 15.284,919 353.133,920 65.741,921 160.731,923 5.807,924 353.133,925 41.637,926 117.929,927 16.786,928 44.313,929 353.133,930 65.741,931 160.731,933 0.59,934 0.357,935 0.194,936 0.098,937 31,938 12,939 0.085,940 6,941 2,942 1.133,943 4.67,944 348.236,945 0.133,946 30,947 169.525,950 1,951 22.694,952 9.366,953 4.365,954 4.182,955 48.956,956 21.936,958 3.428,961 2.955,963 16.786,964 579.605,965 53.5,968 -3.563,970 26.997,972 2.087,974 1.225,975 65.407,976 73.647,977 0.245,978 0.574,979 0.773,980 0.886,981 0.91,982 0.92,983 5.259,984 1.632,985 6.172,986 5.935,987 4.762,988 5.349,989 1.038,990 7.052,991 4.701,992 6.494,993 1.618,994 7.777,995 4.684,996 4.443,997 5.387,998 0.325,999 8.266,1000 4.31,1001 7.847,1002 1.363,1003 9.501,1004 3.976,1005 6.45,1006 7.708,1007 0.607,1008 11.38,1009 6.309,1010 9.249,1011 1.307,1012 11.302,1013 3.564,1014 7.022,1015 8.633,1016 0.268,1017 13.491,1018 6.791,1019 10.692,1020 1.25,1021 13.156,1022 3.292,1023 8.497,1024 10.449,1025 0.359,1026 16.212,1027 8.246,1028 12.165,1029 1.146,1030 15.049,1031 2.786,1032 9.45,1033 11.74,1034 0.188,1035 18.647,1036 9.107,1037 13.661,1038 1,1039 16.97,1040 2.737,1041 10.747,1042 13.382,1043 0.214,1044 21.284,1045 10.363,1046 3.56,1047 0.769,1048 18.913,1049 2.275,1050 11.863,1051 14.824,1052 0.125,1053 23.839,1054 11.388,1055 3.118,1056 13.971,1057 20.874,1058 1.809,1059 13.107,1060 16.405,1061 0.129,1062 26.463,1063 12.572,1064 2.852,1065 10.433,1066 22.849,1067 4.876,1068 14.294,1069 17.91,1070 0.082,1071 29.065,1072 13.669,1073 2.72,1074 9.601,1075 24.836,1076 4.515,1077 15.529,1078 19.472,1079 0.079,1080 31.691,1081 14.83,1082 2.533,1083 8.877,1084 26.834,1085 4.167,1086 16.749,1087 21.006,1088 0.054,1089 34.312,1090 15.96,1091 2.056,1092 7.026,1093 28.839,1094 3.548,1095 17.988,1096 22.564,1097 0.048,1098 36.942,1099 17.116,1100 1.947,1101 6.223,1102 30.851,1103 2.753,1104 19.225,1105 24.112,1106 0.035,1107 39.571,1108 18.262,1109 18922,1110 27869,1111 27.622,1112 45.233,1113 60.835,1114 61.871,1115 61.254,1116 61.139,1117 61.091,1118 81.033,1119 2.915,1120 182.233,1121 59.351,1122 5.934,1123 6.745,1124 7.422,1125 5.547,1126 5.56,1127 7.876,1128 1.457,1129 22.352,1130 5.279,1131 10.777,1132 1.521,1133 1.547,1134 1.531,1135 1.528,1136 1.527,1137 2.026,1138 0.073,1139 4.556,1140 1.484,1141 4.193,1142 4.205,1143 4.749,1144 4.169,1145 7.715,1146 4.123,1147 4.12,1148 4.134,1149 4.1,1150 4.06,1151 6.999,1152 4.056,1153 3.888,1154 3.925,1155 3.944,1156 3.806,1157 4.968,1158 3.765,1159 3.84,1160 3.899,1161 3.716,1162 3.681,1163 4.874,1164 3.675,1165 3.65,1166 3.643,1167 3.658,1168 3.593,1169 4.471,1170 3.544,1171 3.433,1172 3.488,1173 3.32,1174 3.338,1175 4.337,1176 3.324,1177 3.374,1178 3.41,1179 3.278,1180 3.279,1181 4.316,1182 3.248,1183 3.214,1184 3.285,1185 3.068,1186 3.029,1187 4.134,1188 3.025,1189 0.125,1190 0.119,1191 0.193,1192 0.112,1193 0.089,1194 4.983,1195 0.122,1196 4.745,1197 0.02,1198 7.733,1199 0.349,1200 4.487,1201 0.082,1202 3.56,1203 4.876,1204 0.8,1205 13.971,1206 3.279,1207 2.104,1208 2.102,1209 2.145,1210 2.151,1211 1.382,1212 2.178,1213 1.992,1214 1.971,1215 2.085,1216 2.065,1217 1.301,1218 2.075,1219 1.779,1220 1.757,1221 1.918,1222 1.916,1223 1.228,1224 1.934,1225 1.673,1226 1.619,1227 1.86,1228 1.873,1229 1.211,1230 1.876,1231 1.577,1232 1.521,1233 1.849,1234 1.751,1235 1.074,1236 1.793,1237 1.533,1238 1.507,1239 1.657,1240 1.666,1241 0.875,1242 1.679,1243 1.427,1244 1.353,1245 1.639,1246 1.623,1247 0.781,1248 1.648,1249 1.338,1250 1.332,1251 1.435,1252 1.468,1253 0.686,1254 1.506,1255 4.394,1257 5.746,1258 3.045,1259 7.299,1260 5.283,1261 8.942,1262 7.273,1263 10.634,1271 8.845,1276 4.159,1280 42.056,1281 97.714,1282 228.878,1283 308.201,1284 353.42,1285 362.93,1286 366.93,1287 59.498,1288 8.855,1289 56.41,1290 64.79,1291 34,1292 12.993,1293 4.644,1294 3.858,1295 47.298,1296 175,1297 166,1298 0.131,1299 254.82,1300 435.19,1301 613.522,1302 108421,1304 23.83,1305 0.681,1306 0.592,1307 24.08,1308 20.728,1309 17.092,1310 0.427,1311 0.351,1312 12.613,1313 15.946,1314 12.233,1315 10.05,1316 17.881,1317 14.032,1318 15.741,1319 0.271,1320 0.2,1321 17.041,1322 11.599,1323 14.044,1324 0.173,1325 0.117,1326 15.371,1327 9.497,1328 11.915,1329 0.111,1330 0.067,1331 13.144,1332 7.155,1333 9.315,1334 0.071,1335 0.037,1336 10.412,1337 4.941,1338 0.21,1339 113.061,1340 0.19,1341 32.505,1342 0.348,1343 196,1344 461.955,1345 246.412,1346 477.735,1347 671.22,1348 446,1349 237,1350 480.118,1351 297.674,1352 528.788,1353 782.41,1354 500,1355 7.569} {0 CHEMBL162012,1 1.369,2 14.531,3 4.875,4 23.769,5 132.576,6 6.697,7 0.444,8 4.24,9 4.376,10 3.732,11 3.801,12 5.199,13 3.753,14 4.818,15 5.015,16 4.082,17 4.227,18 5.714,19 4.151,20 5.087,21 5.322,22 4.077,23 4.365,24 5.946,25 4.239,26 5.14,27 5.402,28 3.974,29 4.324,30 5.968,31 4.172,32 5.091,33 5.366,34 3.926,35 4.232,36 5.915,37 4.09,38 4.935,39 5.172,40 3.951,41 4.205,42 5.789,43 4.087,44 4.987,45 5.226,46 3.876,47 4.223,48 5.813,49 4.082,50 5.006,51 5.294,52 3.716,53 4.134,54 5.73,55 3.959,56 0.094,57 0.948,58 14.816,59 6.061,60 8.649,61 8.585,62 0.246,63 1.588,64 27.506,65 10.099,66 21.3,67 14.848,68 0.321,69 1.934,70 36.657,71 13.629,72 35.61,73 19.965,74 0.28,75 1.93,76 39.061,77 14.663,78 40.051,79 21.38,80 0.356,81 1.788,82 37.764,83 13.665,84 45.25,85 19.858,86 0.229,87 1.641,88 31.493,89 11.81,90 31.803,91 17.175,92 0.274,93 1.741,94 33.32,95 11.974,96 33.467,97 17.685,98 0.287,99 1.671,100 34.432,101 12.533,102 31.39,103 18.676,104 5,105 50,106 0.218,107 0.561,108 0.763,109 0.841,110 0.848,111 0.848,112 3.502,113 0.983,114 -5.1,115 -5,116 -4.68,119 42.2,120 1,121 4,125 5,134 1,135 1,140 7,141 5,149 1,150 1,156 1,166 1,169 17,172 6,174 1,176 4,178 19,181 1,182 5,186 7,189 16,193 6,197 4,199 11,203 8,206 1,208 3,211 8,215 7,220 5,222 9,226 5,231 4,233 9,237 5,240 1,242 1,244 12,249 2,253 1,254 1,256 15,259 1882,260 22.032,261 22.032,262 22.032,263 22.032,264 22.032,265 19.814,266 23.223,267 12.991,268 22.284,269 17.78,270 17.78,271 17.78,272 17.78,273 17.78,274 14.377,275 23.525,276 6.209,277 18.158,278 4.631,279 2.475,280 1.206,281 0.711,282 0.668,283 0.668,284 4.212,289 1,290 1034,291 3.24,294 176.946,295 315.75,298 144.334,302 2.373,303 17.601,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 465,316 4.568,317 3.567,318 6.566,319 4.109,320 3.12,321 4.515,322 0.98,323 10.433,324 3.087,325 4.193,326 3.201,327 6.106,328 3.861,329 2.865,330 3.758,331 0.8,332 8.925,333 2.854,334 4.108,335 2.991,336 6.051,337 3.748,338 2.752,339 3.554,340 0.657,341 8.692,342 2.738,343 3.69,344 2.833,345 5.369,346 3.467,347 2.536,348 3.029,350 7.028,351 2.367,352 3.561,353 2.603,354 5.32,355 3.378,356 2.403,357 2.756,359 6.877,360 2.341,361 3.42,362 2.536,363 5.105,364 3.176,365 2.188,366 2.524,368 5.965,369 2.148,370 3.319,371 2.146,372 5.002,373 2.958,374 1.974,375 2.493,377 5.923,378 1.94,379 2.995,380 1.881,381 4.43,382 2.52,383 1.536,384 2.117,386 4.349,387 1.509,388 2.735,389 1.646,390 4.119,391 2.33,392 1.343,393 1.791,395 3.442,396 1.324,397 2.665,398 1.401,399 3.997,400 2.249,401 1.246,402 1.647,404 3.198,405 1.24,406 2.5,407 1.396,408 3.52,409 2.143,410 1.155,411 1.5,413 2.74,414 1.138,415 2.345,416 1.235,417 3.414,418 2,419 1,420 1.329,422 2.275,423 1,424 2.137,425 1,426 3.414,427 1.984,428 1,429 1.048,431 2.275,432 0.983,433 2.058,434 0.858,435 3.262,436 1.731,437 0.77,438 0.998,440 1.806,441 0.738,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.433,452 0.482,453 0.691,454 0.022,455 37.25,456 1.164,457 17,458 0.531,459 20.25,460 0.633,461 30.454,462 0.952,463 34.367,464 0.537,465 26.874,466 0.84,467 7.14,468 0.223,469 8.513,470 0.266,471 0.054,473 0.311,479 0.772,480 1.24,481 0.887,482 1.067,483 0.577,484 0.997,485 0.989,486 1.102,487 0.98,488 0.973,489 0.545,490 0.964,491 0.988,492 1.094,493 1.086,494 1.086,495 0.777,496 1.088,497 0.993,498 1.087,499 1.019,500 1.087,501 1.076,502 1.062,503 1.232,504 0.895,505 0.904,506 0.871,507 1.54,508 0.868,509 1.07,510 1.126,511 0.987,512 1.043,513 1.09,514 1.015,515 1.221,516 1.197,517 1.223,518 1.168,519 1.09,520 1.188,521 0.808,522 0.942,523 0.987,524 0.98,525 0.545,526 0.99,527 6,528 0.115,529 3.778,530 1.451,531 1.383,532 1.062,533 0.501,534 0.327,535 0.37,536 0.148,537 17044,538 33821,539 2.174,540 50,541 3,542 18,543 1,545 2,547 8,550 1.74,551 2.087,552 3.8,553 0.115,559 87.618,560 1.369,561 3.525,562 4.794,563 5.289,564 5.332,565 5.332,566 3.3,567 4.39,568 4.967,569 3.99,570 1979.13,571 8.663,572 30327.8,574 1,577 384,578 1.198,579 4.954,580 0.167,581 0.004,582 0.076,583 0.031,584 0.034,585 0.027,586 0.012,587 0.009,588 0.012,589 0.005,590 0.375,591 0.33,592 0.88,593 0.406,594 171.702,595 0.079,596 -0.029,597 0.071,598 0.008,599 0.008,600 0.031,601 0.002,602 0.04,603 0.002,604 0.036,605 0.079,606 0.024,607 -0.024,608 -0.047,609 -0.107,610 -0.089,611 0.052,612 -0.101,613 -0.022,614 -0.116,615 -0.038,616 -0.096,617 -0.012,618 -0.072,619 -0.011,620 0.047,621 0.1,622 0.1,623 -0.06,624 0.106,625 -0.046,626 -0.106,627 -0.004,628 -0.041,629 -0.031,630 -0.024,631 -0.174,632 -0.15,633 -0.237,634 -0.187,635 -0.167,636 -0.213,637 0.009,638 0.021,639 -0.008,640 -0.016,641 0.054,642 -0.012,643 1.71,644 5.506,645 0.813,646 40.789,647 0.986,648 1.125,649 3.87,650 14.981,651 0.658,652 3.611,653 3.932,654 4.205,655 4.443,656 4.635,657 4.736,658 4.875,659 5.043,660 5.147,661 5.263,662 8.335,663 0.612,664 428.63,665 3.611,666 5.153,667 6.004,668 6.872,669 7.736,670 8.608,671 9.478,672 10.353,673 11.226,674 12.105,675 6.3,678 2,682 1,683 1,687 2,688 8,690 1,693 4,695 16,714 64,716 18,717 2,718 36,720 68,721 27,722 14,723 5,724 7,725 3,730 5,731 6,736 1,740 3,743 4,745 17,746 10,750 2,755 1,757 1,759 2,764 32,765 4,766 2,767 5,773 4,776 1,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,823 1,827 32,833 9,834 1,838 2,847 1.6,850 1,854 15.333,855 11.567,856 6.944,857 4.133,858 3.328,859 1.402,860 1.023,861 6.333,862 11.595,863 3.85,864 4.428,865 5.003,866 5.555,867 6.053,868 6.375,869 6.753,870 7.108,871 7.262,872 7.543,873 0.9,874 47,875 11.895,877 5.068,878 7.464,879 23.673,881 20.154,883 1.964,884 62.833,888 353.133,889 139.699,890 40.8,892 25.145,895 139.699,896 378.278,897 40.8,898 8.825,899 38.555,900 84.857,901 29.85,902 41.412,903 13.915,904 341.362,906 353.133,907 180.499,908 25.145,911 258.964,912 119.314,915 70.292,916 100.731,917 9.476,919 353.133,920 65.945,921 139.699,924 353.133,925 46.016,926 99.809,927 34.674,928 25.145,929 353.133,930 65.945,931 139.699,933 0.583,934 0.338,935 0.176,936 0.09,937 25,938 10,939 0.088,940 6,941 1,942 1.077,943 4.551,944 289.006,945 0.077,946 26,947 152,951 21.296,952 9.516,953 4.947,954 2.561,955 49.159,956 16.65,958 3.448,961 4.566,963 34.674,964 558.777,965 46,970 12.506,972 2.247,974 1.317,975 63.105,976 72.015,977 0.228,978 0.587,979 0.799,980 0.881,981 0.889,982 0.889,983 5.094,984 1.536,985 5.974,986 5.923,987 4.615,988 5.115,989 1.557,990 6.753,991 4.577,992 6.279,993 1.343,994 7.512,995 4.349,996 4.111,997 4.879,998 0.325,999 7.573,1000 4.062,1001 7.575,1002 1.246,1003 9.145,1004 3.442,1005 6.184,1006 7.288,1007 1.302,1008 10.645,1009 6.114,1010 8.907,1011 1.155,1012 10.836,1013 3.198,1014 6.524,1015 7.94,1016 0.268,1017 12.311,1018 6.449,1019 10.273,1020 1,1021 12.565,1022 2.74,1023 8.02,1024 9.804,1025 1.163,1026 14.876,1027 7.926,1028 11.663,1029 1,1030 14.32,1031 2.275,1032 8.746,1033 10.879,1034 0.188,1035 16.899,1036 8.652,1037 13.072,1038 0.77,1039 16.093,1040 2.275,1041 10.007,1042 12.523,1043 1.078,1044 19.294,1045 9.898,1046 3.12,1047 0.618,1048 17.882,1049 1.806,1050 10.923,1051 13.811,1052 0.125,1053 21.478,1054 10.813,1055 2.865,1056 10.433,1057 19.682,1058 1.372,1059 12.084,1060 15.362,1061 1.018,1062 23.817,1063 11.964,1064 2.752,1065 8.925,1066 21.491,1067 4.515,1068 13.094,1069 16.756,1070 0.082,1071 26.075,1072 12.971,1073 2.536,1074 8.692,1075 23.309,1076 3.758,1077 14.217,1078 18.272,1079 0.974,1080 28.397,1081 14.085,1082 2.403,1083 7.028,1084 25.132,1085 3.554,1086 15.275,1087 19.719,1088 0.054,1089 30.691,1090 15.139,1091 2.188,1092 6.877,1093 26.962,1094 3.029,1095 16.385,1096 21.221,1097 0.937,1098 33.013,1099 16.24,1100 1.974,1101 5.965,1102 28.797,1103 2.756,1104 17.469,1105 22.696,1106 0.035,1107 35.326,1108 17.318,1109 15663,1110 22220,1111 24.849,1112 42.137,1113 53.99,1114 54.923,1115 54.354,1116 53.707,1117 53.719,1118 68.167,1119 4.874,1120 152.295,1121 52.697,1122 5.519,1123 5.567,1124 6.196,1125 5.149,1126 5.12,1127 7.515,1128 1.96,1129 17.105,1130 5.087,1131 11.082,1132 1.5,1133 1.526,1134 1.51,1135 1.492,1136 1.492,1137 1.894,1138 0.135,1139 4.23,1140 1.464,1141 4.149,1142 4.183,1143 4.105,1144 4.074,1145 7.429,1146 4.077,1147 3.949,1148 3.98,1149 3.89,1150 3.878,1151 4.967,1152 3.875,1153 3.85,1154 3.918,1155 3.74,1156 3.71,1157 4.718,1158 3.71,1159 3.811,1160 3.867,1161 3.701,1162 3.666,1163 4.507,1164 3.665,1165 3.476,1166 3.532,1167 3.39,1168 3.338,1169 4.34,1170 3.334,1171 3.366,1172 3.42,1173 3.252,1174 3.19,1175 4.208,1176 3.203,1177 3.232,1178 3.31,1179 3.081,1180 3.045,1181 3.919,1182 3.044,1183 3.038,1184 3.135,1185 2.846,1186 2.874,1187 3.837,1188 2.847,1189 0.127,1190 0.099,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.567,1197 0.027,1198 6.566,1199 0.29,1200 4.109,1201 0.086,1202 3.12,1203 4.515,1204 0.98,1205 10.433,1206 3.087,1207 1.994,1208 1.971,1209 2.09,1210 2.08,1211 1.331,1212 2.084,1213 1.926,1214 1.901,1215 2.041,1216 2.012,1217 1.23,1218 2.021,1219 1.746,1220 1.697,1221 1.922,1222 1.907,1223 1.211,1224 1.915,1225 1.665,1226 1.603,1227 1.86,1228 1.871,1229 1.139,1230 1.87,1231 1.577,1232 1.507,1233 1.852,1234 1.751,1235 1.066,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.66,1241 0.872,1242 1.658,1243 1.321,1244 1.276,1245 1.564,1246 1.55,1247 0.694,1248 1.545,1249 1.14,1250 1.065,1251 1.435,1252 1.369,1253 0.632,1254 1.394,1255 4.29,1257 5.609,1258 3.045,1259 7.111,1260 5.283,1261 8.692,1262 7.273,1263 10.316,1265 2.028,1271 9.888,1272 3.045,1276 4.577,1280 39.176,1281 87.618,1282 225.581,1283 306.839,1284 338.49,1285 341.245,1286 341.245,1287 45.261,1288 8.268,1289 51.37,1290 51.37,1291 28,1292 12.643,1293 4.248,1294 3.459,1295 46.014,1296 160,1297 164,1298 0.137,1299 237.624,1300 410.19,1301 571.561,1302 52922,1304 21.916,1305 0.685,1306 0.589,1307 21.916,1308 18.863,1309 15.653,1310 0.435,1311 0.328,1312 11.692,1313 15.249,1314 11.396,1315 9.423,1316 15.653,1317 11.8,1318 14.076,1319 0.282,1320 0.182,1321 14.076,1322 9.105,1323 12.151,1324 0.184,1325 0.103,1326 12.151,1327 6.817,1328 9.884,1329 0.118,1330 0.057,1331 9.884,1332 4.816,1333 7.649,1334 0.075,1335 0.031,1336 7.649,1337 3.159,1338 0.223,1339 96.582,1340 0.201,1341 30.624,1342 0.357,1343 172,1344 387.691,1345 182.152,1346 385.463,1347 541.33,1348 364,1349 202,1350 408.172,1351 213.319,1352 418.219,1353 610.79,1354 395,1355 8.071} {0 CHEMBL162049,1 1.369,2 14.531,3 5.774,4 33.344,5 140.567,6 6.948,7 0.444,8 4.236,9 4.373,10 3.763,11 3.827,12 5.167,13 3.764,14 4.813,15 5.01,16 4.13,17 4.255,18 5.667,19 4.164,20 5.081,21 5.316,22 4.148,23 4.41,24 5.883,25 4.26,26 5.132,27 5.393,28 4.074,29 4.396,30 5.888,31 4.205,32 5.077,33 5.352,34 4.015,35 4.319,36 5.809,37 4.126,38 4.927,39 5.163,40 4.008,41 4.259,42 5.718,43 4.109,44 4.981,45 5.219,46 3.91,47 4.26,48 5.766,49 4.097,50 5.003,51 5.291,52 3.779,53 4.171,54 5.686,55 3.977,56 0.103,57 0.94,58 14.661,59 6.065,60 9.649,61 8.585,62 0.209,63 1.611,64 28.112,65 10.249,66 19.308,67 14.892,68 0.264,69 2.001,70 38.808,71 14.452,72 30.31,73 20.447,74 0.246,75 2.03,76 42.632,77 16.393,78 33.265,79 22.449,80 0.275,81 1.92,82 43.681,83 16.149,84 32.286,85 21.468,86 0.195,87 1.705,88 34.322,89 13.097,90 25.28,91 17.972,92 0.242,93 1.8,94 35.531,95 13.023,96 28.319,97 18.275,98 0.274,99 1.734,100 35.829,101 13.398,102 27.422,103 19.107,104 5,105 50,106 0.218,107 0.561,108 0.763,109 0.841,110 0.848,111 0.848,112 3.502,113 1.017,114 -5.48,115 -5.36,116 -5,119 42.2,120 1,121 4,125 5,134 1,135 1,140 7,141 5,149 1,150 1,156 1,166 1,169 17,172 5,176 4,178 19,182 3,186 7,189 16,193 4,197 4,199 11,203 5,206 1,208 3,211 8,215 5,220 5,222 9,226 4,231 4,233 9,237 3,240 1,242 1,244 12,253 1,254 1,256 15,259 1882,260 22.032,261 22.032,262 22.032,263 22.032,264 22.032,265 19.814,266 23.137,267 12.991,268 22.367,269 17.78,270 17.78,271 17.78,272 17.78,273 17.78,274 14.377,275 23.293,276 6.209,277 18.331,278 4.631,279 2.475,280 1.206,281 0.711,282 0.668,283 0.668,284 4.212,289 1,290 1034,291 3.24,294 176.946,295 315.75,298 144.334,302 2.373,303 13.076,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 66,315 465,316 4.568,317 3.793,318 6.566,319 4.109,320 3.12,321 4.515,322 1.058,323 10.433,324 3.087,325 4.193,326 3.201,327 6.106,328 3.827,329 2.865,330 3.758,331 0.8,332 8.925,333 2.769,334 4.108,335 2.995,336 6.051,337 3.739,338 2.752,339 3.554,340 0.657,341 8.692,342 2.709,343 3.69,344 2.834,345 5.369,346 3.467,347 2.536,348 3.029,350 7.028,351 2.363,352 3.561,353 2.608,354 5.32,355 3.371,356 2.403,357 2.756,359 6.877,360 2.316,361 3.42,362 2.554,363 5.105,364 3.16,365 2.188,366 2.524,368 5.965,369 2.121,370 3.319,371 2.147,372 5.002,373 2.958,374 1.974,375 2.493,377 5.923,378 1.94,379 2.995,380 1.937,381 4.43,382 2.514,383 1.536,384 2.117,386 4.349,387 1.5,388 2.735,389 1.649,390 4.119,391 2.328,392 1.343,393 1.791,395 3.442,396 1.322,397 2.665,398 1.401,399 3.997,400 2.184,401 1.246,402 1.647,404 3.198,405 1.166,406 2.5,407 1.396,408 3.52,409 2.115,410 1.155,411 1.5,413 2.74,414 1.092,415 2.345,416 1.235,417 3.414,418 2,419 1,420 1.329,422 2.275,423 1,424 2.137,425 1,426 3.414,427 1.984,428 1,429 1.048,431 2.275,432 0.983,433 2.058,434 0.859,435 3.262,436 1.729,437 0.77,438 0.998,440 1.806,441 0.736,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.933,452 0.498,453 0.691,454 0.022,455 37,456 1.156,457 17,458 0.531,459 20,460 0.625,461 31.316,462 0.979,463 33.867,464 0.529,465 26.012,466 0.813,467 7.019,468 0.219,469 8.634,470 0.27,471 0.084,473 0.301,479 0.963,480 1.165,481 0.769,482 0.927,483 0.781,484 0.956,485 1.381,486 1.086,487 0.844,488 0.882,489 0.715,490 0.932,491 1.192,492 1.081,493 0.993,494 1.018,495 0.875,496 1.064,497 0.935,498 1.044,499 1.012,500 1.037,501 1.088,502 1.045,503 0.867,504 0.949,505 1.116,506 1.037,507 1.154,508 0.92,509 0.99,510 1.127,511 1.034,512 1.069,513 0.999,514 1.027,515 1.366,516 1.203,517 1.177,518 1.165,519 1.348,520 1.191,521 1.048,522 0.882,523 0.84,524 0.851,525 0.828,526 0.95,527 6,528 0.115,529 3.778,530 1.451,531 1.383,532 1.062,533 0.501,534 0.327,535 0.37,536 0.148,537 17044,538 33821,539 2.174,540 50,541 3,542 18,543 1,545 2,547 8,550 1.74,551 2.087,552 3.8,553 0.115,559 87.618,560 1.369,561 3.525,562 4.794,563 5.289,564 5.332,565 5.332,566 3.3,567 4.39,568 4.967,569 3.99,570 1979.13,571 8.663,572 30327.8,577 384,578 1.198,579 4.954,580 0.167,581 0.004,582 0.076,583 0.031,584 0.034,585 0.027,586 0.012,587 0.009,588 0.012,589 0.005,590 0.375,591 0.17,592 0.75,593 0.406,594 171.702,595 0.15,596 -0.021,597 0.051,598 0.008,599 0.045,600 0.029,601 -0.089,602 0.015,603 0.02,604 0.029,605 0.102,606 0.027,607 -0.107,608 -0.053,609 -0.065,610 -0.066,611 0.055,612 -0.09,613 -0.028,614 -0.069,615 -0.01,616 -0.033,617 -0.043,618 -0.052,619 0.082,620 0.03,621 0.037,622 0.042,623 -0.006,624 0.084,625 -0.007,626 -0.11,627 -0.03,628 -0.062,629 -0.009,630 -0.034,631 -0.194,632 -0.168,633 -0.227,634 -0.213,635 -0.294,636 -0.226,637 -0.012,638 0.066,639 0.027,640 0.048,641 0.022,642 0.01,643 0.877,644 1.942,645 0.813,646 40.789,647 0.982,648 1.121,649 4.252,650 18.081,651 0.677,652 3.611,653 3.932,654 4.205,655 4.443,656 4.635,657 4.736,658 4.875,659 5.043,660 5.147,661 5.263,662 8.335,663 0.619,664 444.7,665 3.611,666 5.153,667 6.004,668 6.872,669 7.736,670 8.608,671 9.478,672 10.353,673 11.226,674 12.105,675 6.3,678 2,682 1,683 1,687 2,688 8,690 1,693 4,695 16,714 64,716 18,717 2,718 36,720 68,721 27,722 14,723 5,724 7,725 3,730 5,731 6,736 1,740 3,743 4,745 17,746 10,750 2,756 1,757 1,759 2,764 32,765 3,766 2,767 5,768 1,773 4,776 1,777 0.8,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 1,827 32,833 9,834 1,838 2,854 15.333,855 11.567,856 6.944,857 4.133,858 3.328,859 1.402,860 1.025,861 6.627,862 11.595,863 3.85,864 4.428,865 5.003,866 5.555,867 6.053,868 6.375,869 6.753,870 7.108,871 7.262,872 7.543,873 0.9,874 47,875 11.859,877 5.003,878 7.359,879 23.818,881 20.266,883 1.859,884 59.5,888 353.133,889 180.9,890 40.8,894 45.192,895 135.708,896 353.133,897 40.8,898 8.825,899 38.555,900 84.857,901 0.713,902 41.412,903 13.915,904 341.362,905 45.192,906 353.133,907 176.507,909 45.192,911 258.964,912 94.169,915 70.292,916 96.739,917 9.476,918 45.192,919 353.133,920 40.8,921 180.9,924 353.133,925 42.025,926 99.809,927 34.674,928 45.192,929 353.133,930 40.8,931 180.9,933 0.583,934 0.338,935 0.176,936 0.09,937 25,938 10,939 0.088,940 6,941 1,942 1.077,943 4.551,944 289.006,945 0.077,946 26,947 152,949 1,951 21.69,952 9.778,953 5.111,954 2.622,955 24.014,956 17.472,958 3.471,961 5.109,963 34.674,964 574.833,965 46,971 5.609,972 2.339,974 2.219,975 62.854,976 71.726,977 0.228,978 0.587,979 0.799,980 0.881,981 0.889,982 0.889,983 5.094,984 1.536,985 5.974,986 5.923,987 4.615,988 5.115,989 1.622,990 6.753,991 4.558,992 6.279,993 1.343,994 7.512,995 4.349,996 4.111,997 4.879,998 0.325,999 7.573,1000 4.015,1001 7.575,1002 1.246,1003 9.145,1004 3.442,1005 6.184,1006 7.288,1007 1.469,1008 10.645,1009 6.078,1010 8.907,1011 1.155,1012 10.836,1013 3.198,1014 6.524,1015 7.94,1016 0.268,1017 12.311,1018 6.386,1019 10.273,1020 1,1021 12.565,1022 2.74,1023 8.02,1024 9.804,1025 1.445,1026 14.876,1027 7.872,1028 11.663,1029 1,1030 14.32,1031 2.275,1032 8.746,1033 10.879,1034 0.188,1035 16.899,1036 8.577,1037 13.072,1038 0.77,1039 16.093,1040 2.275,1041 10.007,1042 12.523,1043 1.478,1044 19.294,1045 9.827,1046 3.12,1047 0.618,1048 17.882,1049 1.806,1050 10.923,1051 13.811,1052 0.125,1053 21.478,1054 10.728,1055 2.865,1056 10.433,1057 19.682,1058 1.372,1059 12.084,1060 15.362,1061 1.54,1062 23.817,1063 11.879,1064 2.752,1065 8.925,1066 21.491,1067 4.515,1068 13.094,1069 16.756,1070 0.082,1071 26.075,1072 12.878,1073 2.536,1074 8.692,1075 23.309,1076 3.758,1077 14.217,1078 18.272,1079 1.615,1080 28.397,1081 13.992,1082 2.403,1083 7.028,1084 25.132,1085 3.554,1086 15.275,1087 19.719,1088 0.054,1089 30.691,1090 15.042,1091 2.188,1092 6.877,1093 26.962,1094 3.029,1095 16.385,1096 21.221,1097 1.699,1098 33.013,1099 16.144,1100 1.974,1101 5.965,1102 28.797,1103 2.756,1104 17.469,1105 22.696,1106 0.035,1107 35.326,1108 17.22,1109 15663,1110 22220,1111 24.849,1112 43.33,1113 53.99,1114 55.296,1115 54.354,1116 53.798,1117 53.719,1118 68.167,1119 5.031,1120 152.295,1121 52.091,1122 5.519,1123 5.793,1124 6.196,1125 5.149,1126 5.12,1127 7.515,1128 2.117,1129 17.105,1130 5.087,1131 11.082,1132 1.5,1133 1.536,1134 1.51,1135 1.494,1136 1.492,1137 1.894,1138 0.14,1139 4.23,1140 1.447,1141 4.149,1142 4.183,1143 4.11,1144 4.074,1145 4.972,1146 4.078,1147 3.944,1148 3.976,1149 4.016,1150 3.899,1151 4.905,1152 3.883,1153 3.85,1154 3.918,1155 3.742,1156 3.71,1157 4.587,1158 3.71,1159 3.811,1160 3.867,1161 3.702,1162 3.666,1163 4.467,1164 3.665,1165 3.47,1166 3.528,1167 3.627,1168 3.37,1169 4.338,1170 3.342,1171 3.35,1172 3.407,1173 3.318,1174 3.297,1175 4.164,1176 3.242,1177 3.229,1178 3.306,1179 3.095,1180 3.047,1181 3.855,1182 3.046,1183 3.038,1184 3.134,1185 2.876,1186 2.874,1187 3.785,1188 2.847,1189 0.127,1190 0.105,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.793,1197 0.029,1198 6.566,1199 0.29,1200 4.109,1201 0.086,1202 3.12,1203 4.515,1204 1.058,1205 10.433,1206 3.087,1207 1.994,1208 1.972,1209 2.089,1210 2.077,1211 1.331,1212 2.083,1213 1.928,1214 1.905,1215 2.037,1216 1.999,1217 1.23,1218 2.016,1219 1.746,1220 1.697,1221 1.922,1222 1.907,1223 1.211,1224 1.915,1225 1.665,1226 1.603,1227 1.86,1228 1.871,1229 1.144,1230 1.87,1231 1.577,1232 1.507,1233 1.852,1234 1.751,1235 1.066,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.659,1241 0.872,1242 1.658,1243 1.336,1244 1.299,1245 1.551,1246 1.493,1247 0.695,1248 1.525,1249 1.14,1250 1.065,1251 1.435,1252 1.368,1253 0.645,1254 1.394,1255 4.29,1257 5.609,1258 3.045,1259 7.111,1260 5.283,1261 8.692,1262 7.273,1263 10.316,1265 2.096,1271 10.345,1272 3.415,1276 4.803,1280 39.648,1281 87.618,1282 225.581,1283 306.839,1284 338.49,1285 341.245,1286 341.245,1287 40.561,1288 8.268,1289 34.3,1290 66.39,1291 28,1292 12.643,1293 4.248,1294 3.459,1295 46.014,1296 160,1297 164,1298 0.137,1299 244.758,1300 419.91,1301 588.97,1302 52922,1304 21.916,1305 0.685,1306 0.615,1307 22.416,1308 19.679,1309 15.653,1310 0.435,1311 0.339,1312 11.741,1313 15.069,1314 11.396,1315 9.423,1316 15.942,1317 12.208,1318 14.076,1319 0.282,1320 0.19,1321 14.447,1322 9.514,1323 12.151,1324 0.184,1325 0.108,1326 12.505,1327 7.144,1328 9.884,1329 0.118,1330 0.06,1331 10.217,1332 5.081,1333 7.649,1334 0.075,1335 0.032,1336 7.863,1337 3.31,1338 0.223,1339 98.892,1340 0.201,1341 30.624,1342 0.357,1343 172,1344 358.816,1345 193.305,1346 385.463,1347 541.33,1348 364,1349 202,1350 397.907,1351 221.57,1352 418.219,1353 610.79,1354 395,1355 8.131} {0 CHEMBL162296,1 1.39,2 12.385,3 1.984,4 3.936,5 107.724,6 6.741,7 0.517,8 4.044,9 4.193,10 3.543,11 3.541,12 5.041,13 3.508,14 4.605,15 4.815,16 3.856,17 3.965,18 5.476,19 3.897,20 4.851,21 5.104,22 3.77,23 4.089,24 5.603,25 3.95,26 4.937,27 5.224,28 3.727,29 4.078,30 5.654,31 3.919,32 4.878,33 5.172,34 3.665,35 3.997,36 5.573,37 3.837,38 4.769,39 5.05,40 3.669,41 3.937,42 5.508,43 3.805,44 4.743,45 5.013,46 3.594,47 3.898,48 5.538,49 3.751,50 4.71,51 5.019,52 3.323,53 3.754,54 5.392,55 3.57,56 0.081,57 0.831,58 12.235,59 4.355,60 11.593,61 6.611,62 0.241,63 1.32,64 22.421,65 7.249,66 18.591,67 11.275,68 0.206,69 1.494,70 28.912,71 10.248,72 21.572,73 15.69,74 0.278,75 1.525,76 32.159,77 10.922,78 28.096,79 16.956,80 0.283,81 1.419,82 30.417,83 10.319,84 25.544,85 16.004,86 0.222,87 1.325,88 27.126,89 8.869,90 21.122,91 13.989,92 0.284,93 1.302,94 26.402,95 8.696,96 26.321,97 13.535,98 0.237,99 1.145,100 25.977,101 8.19,102 24.288,103 13.098,104 6,105 39,106 0.232,107 0.612,108 0.815,109 0.881,110 0.881,111 0.881,112 3.304,113 0.964,114 -4.22,115 -4.16,116 -3.93,119 38.5,121 2,122 1,125 5,133 1,134 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 6,171 2,172 5,176 5,178 4,182 3,186 5,189 4,193 6,195 1,199 5,203 6,206 2,211 5,215 4,220 1,222 3,225 1,226 4,229 2,231 3,233 2,242 1,244 3,248 2,249 2,253 1,254 1,256 4,259 1092,260 18.231,261 18.231,262 18.231,263 18.231,264 18.231,265 16.414,266 23.147,267 11.134,268 18.628,269 14.335,270 14.335,271 14.335,272 14.335,273 14.335,274 11.574,275 24.792,276 5.298,277 14.977,278 4.311,279 2.036,280 0.822,281 0.423,282 0.423,283 0.423,284 4.005,287 1,288 1,289 1,290 708,291 3.082,294 203.068,295 69.534,298 108.175,302 1.953,303 11.173,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 55,315 322,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.967,327 6.096,328 3.711,329 2.767,330 3.732,331 0.657,332 8.885,333 2.628,334 3.741,335 2.867,336 5.647,337 3.67,338 2.721,339 2.828,341 7.879,342 2.57,343 3.426,344 2.317,345 5.139,346 3.078,347 2.11,348 2.721,350 6.09,351 2.039,352 3.25,353 2.143,354 4.881,355 2.886,356 1.931,357 2.586,359 5.586,360 1.836,361 3.041,362 1.916,363 4.514,364 2.725,365 1.77,366 2.055,368 4.654,369 1.685,370 2.825,371 1.791,372 4.122,373 2.53,374 1.569,375 1.842,377 3.431,378 1.505,379 2.722,380 1.316,381 3.605,382 2.246,383 1.27,384 1.766,386 3.062,387 1.239,388 2.402,389 1.092,390 3.364,391 1.939,392 0.978,393 1.359,395 2.211,396 0.938,397 2.162,398 0.984,399 3.29,400 1.828,401 0.858,402 1.043,404 1.932,405 0.83,406 2.118,407 0.815,408 3.234,409 1.653,410 0.694,411 0.927,413 1.658,414 0.664,415 2.046,416 0.756,417 3.058,418 1.578,419 0.618,420 0.882,422 1.372,423 0.592,424 1.745,425 0.618,426 3,427 1.518,428 0.618,429 0.673,431 1.155,432 0.556,433 1.542,434 0.421,435 2.741,436 1.322,437 0.352,438 0.418,440 0.844,441 0.341,442 0.936,443 -0.121,444 2.435,445 0.653,446 -0.307,447 -0.362,449 -0.53,450 -0.294,451 12.4,452 0.477,453 0.427,454 0.016,455 30.5,456 1.173,457 13,458 0.5,459 17.5,460 0.673,461 22.068,462 0.849,463 28.4,464 0.546,465 20.064,466 0.772,467 6.023,468 0.232,469 6.808,470 0.262,471 0.04,473 0.266,479 0.951,480 1.478,481 0.884,482 1.177,483 0.812,484 1.047,485 1.262,486 1.074,487 1.046,488 0.983,489 0.854,490 0.988,491 0.9,492 1.117,493 1.061,494 1.149,495 0.687,496 1.128,497 0.827,498 0.958,499 0.944,500 0.994,501 0.726,502 0.984,503 0.728,504 0.922,505 0.878,506 0.955,507 0.757,508 0.938,509 0.946,510 0.997,511 0.897,512 0.932,513 0.775,514 0.912,515 0.915,516 1.063,517 1.08,518 1.13,519 1.041,520 1.125,521 0.989,522 0.937,523 0.985,524 0.959,525 1.068,526 0.969,527 4,528 0.088,529 2.444,530 1.076,531 0.873,532 0.604,533 0.403,534 0.188,535 0.159,536 0.09,537 9104,538 19824,539 2.172,540 50,542 16,543 1,544 2,545 2,547 4,548 1,550 1.686,551 2.108,552 3.574,553 0.251,554 1,555 1,559 72.263,560 1.39,561 3.664,562 4.878,563 5.277,564 5.277,565 5.277,566 3.094,567 4.393,568 4.665,569 3.737,570 1214.37,571 8.064,572 15725.6,574 1,576 1,577 296.423,578 1.058,579 4.663,580 0.138,581 0.005,582 0.063,583 0.032,584 0.027,585 0.02,586 0.013,587 0.007,588 0.008,589 0.005,590 0.317,591 0.33,592 1,593 1.085,594 129.668,595 0.098,596 -0.201,597 0.081,598 -0.075,599 0.155,600 -0.011,601 -0.088,602 0.098,603 -0.058,604 0.036,605 -0.01,606 -0.001,607 -0.083,608 -0.105,609 -0.105,610 -0.113,611 0.04,612 -0.111,613 0.015,614 -0.022,615 0.024,616 0.003,617 0.054,618 0.012,619 0.111,620 -0.003,621 0.092,622 0.034,623 0.067,624 0.057,625 -0.031,626 -0.035,627 0.079,628 0.058,629 0.047,630 0.078,631 0.067,632 -0.069,633 -0.102,634 -0.146,635 -0.058,636 -0.144,637 -0.066,638 -0.045,639 -0.004,640 -0.004,641 -0.115,642 0.002,643 0.597,644 0.949,645 0.731,646 27.231,647 0.989,648 1.137,649 2.989,650 8.932,651 0.647,652 3.401,653 3.689,654 3.97,655 4.234,656 4.344,657 4.489,658 4.635,659 4.787,660 4.828,661 4.868,662 7.049,663 0.604,664 350.52,665 3.401,666 4.92,667 5.765,668 6.629,669 7.494,670 8.368,671 9.241,672 10.12,673 10.999,674 11.881,675 11.5,677 1,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 52,716 16,717 1,718 29,720 55,721 20,722 10,723 3,724 3,730 4,731 5,740 1,741 1,743 2,745 12,746 8,747 1,750 1,751 1,757 1,761 1,764 26,765 4,766 2,767 6,773 6,777 0.75,788 1,789 1,792 3,793 1,796 1,809 1,810 1,814 1,815 1,819 3,827 26,833 7,834 1,837 1,838 1,844 1,854 12.333,855 8.967,856 5.833,857 3.164,858 2.85,859 1.378,860 1.003,861 5.371,862 10.399,863 3.651,864 4.197,865 4.796,866 5.397,867 5.809,868 6.255,869 6.729,870 7.176,871 7.377,872 7.613,873 1,874 34,875 9.587,877 3.987,878 7.442,879 19.041,881 15.911,883 1.942,884 50.5,888 282.506,889 106.214,890 73.146,895 106.214,896 282.506,897 73.146,899 31.365,900 64.963,901 74.105,902 30.324,903 13.915,904 247.193,906 282.506,907 179.359,911 223.651,912 58.856,915 72.654,916 63.903,917 42.802,919 282.506,920 73.146,921 106.214,924 282.506,925 26.257,926 69.213,927 34.796,928 49.093,929 282.506,930 73.146,931 106.214,933 0.565,934 0.327,935 0.179,936 0.086,937 19,938 7,939 0.145,940 8,941 1,942 1.105,943 4.034,944 212.642,945 0.105,946 19,947 116.211,951 17.317,952 8.064,953 4.024,954 2.476,955 54.461,956 12.061,957 7.798,958 3.401,961 2.473,962 1.942,963 34.796,964 461.866,965 37.5,966 3.761,972 1.928,975 51.447,976 59.142,977 0.244,978 0.643,979 0.856,980 0.926,981 0.926,982 0.926,983 4.866,984 1.27,985 5.714,986 3.431,987 4.369,988 4.883,989 1.038,990 6.488,991 4.288,992 6.027,993 0.978,994 7.239,995 3.062,996 3.761,997 4.543,998 0.325,999 7.298,1000 3.652,1001 7.305,1002 0.858,1003 8.867,1004 2.211,1005 5.916,1006 7.056,1007 0.607,1008 10.403,1009 5.762,1010 8.627,1011 0.694,1012 10.558,1013 1.932,1014 6.236,1015 7.724,1016 0.268,1017 12.106,1018 6.057,1019 9.989,1020 0.618,1021 12.291,1022 1.658,1023 7.756,1024 9.608,1025 0.359,1026 14.682,1027 7.542,1028 11.381,1029 0.618,1030 14.053,1031 1.372,1032 8.497,1033 10.734,1034 0.188,1035 16.742,1036 8.263,1037 12.796,1038 0.352,1039 15.837,1040 1.155,1041 9.767,1042 12.38,1043 0.214,1044 19.147,1045 9.505,1046 3.119,1047 -0.307,1048 17.636,1049 0.844,1050 10.705,1051 13.714,1052 0.125,1053 21.357,1054 10.426,1055 2.767,1056 10.433,1057 19.447,1058 -0.53,1059 11.874,1060 15.267,1061 0.129,1062 23.706,1063 11.573,1064 2.721,1065 8.885,1066 21.268,1067 4.518,1068 12.904,1069 16.694,1070 0.082,1071 25.981,1072 12.588,1073 2.11,1074 7.879,1075 23.096,1076 3.732,1077 14.034,1078 18.212,1079 0.079,1080 28.314,1081 13.7,1082 1.931,1083 6.09,1084 24.931,1085 2.828,1086 15.108,1087 19.68,1088 0.054,1089 30.62,1090 14.76,1091 1.77,1092 5.586,1093 26.771,1094 2.721,1095 16.226,1096 21.187,1097 0.048,1098 32.951,1099 15.863,1100 1.569,1101 4.654,1102 28.616,1103 2.586,1104 17.321,1105 22.674,1106 0.035,1107 35.272,1108 16.946,1109 8604,1110 12873,1111 20.167,1112 33.648,1113 43.229,1114 42.78,1115 43.202,1116 42.727,1117 42.749,1118 54.703,1119 2.915,1120 118.384,1121 40.97,1122 5.52,1123 5.202,1124 6.476,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1131 7.243,1132 1.491,1133 1.475,1134 1.49,1135 1.473,1136 1.474,1137 1.886,1138 0.101,1139 4.082,1140 1.413,1141 4.153,1142 4.192,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.897,1148 3.964,1149 3.797,1150 3.742,1151 4.927,1152 3.741,1153 3.823,1154 3.898,1155 3.764,1156 3.58,1157 4.728,1158 3.62,1159 3.615,1160 3.691,1161 3.472,1162 3.457,1163 4.373,1164 3.449,1165 3.427,1166 3.491,1167 3.3,1168 3.295,1169 4.251,1170 3.291,1171 3.245,1172 3.324,1173 3.111,1174 3.049,1175 4.053,1176 3.054,1177 3.121,1178 3.219,1179 2.934,1180 2.904,1181 3.825,1182 2.898,1183 2.895,1184 2.971,1185 2.746,1186 2.757,1187 3.594,1188 2.747,1189 0.158,1190 0.11,1191 0.226,1192 0.141,1193 0.108,1194 4.569,1195 0.156,1196 3.202,1197 0.028,1198 6.566,1199 0.36,1200 4.1,1201 0.106,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.316,1212 2.049,1213 1.725,1214 1.661,1215 1.947,1216 1.915,1217 1.268,1218 1.929,1219 1.677,1220 1.617,1221 1.877,1222 1.872,1223 1.115,1224 1.88,1225 1.548,1226 1.487,1227 1.8,1228 1.71,1229 0.924,1230 1.745,1231 1.439,1232 1.364,1233 1.647,1234 1.691,1235 0.861,1236 1.676,1237 1.375,1238 1.309,1239 1.518,1240 1.591,1241 0.587,1242 1.583,1243 1.091,1244 0.998,1245 1.402,1246 1.442,1247 0.533,1248 1.379,1249 1.078,1250 0.982,1251 1.324,1252 1.35,1253 0.449,1254 1.379,1255 4.078,1257 5.371,1258 3.434,1259 6.841,1260 5.687,1261 8.398,1262 7.678,1263 10.01,1271 7.863,1272 3.449,1275 0.762,1276 2.586,1280 31.396,1281 72.263,1282 190.535,1283 253.668,1284 274.423,1285 274.423,1286 274.423,1287 30.708,1288 7.549,1289 61.77,1290 61.77,1291 21,1292 12.416,1293 4.087,1294 3.248,1295 38.281,1296 108,1297 134,1298 0.17,1299 193.318,1300 319.94,1301 463.455,1302 20749,1304 17.769,1305 0.683,1306 0.579,1307 17.769,1308 15.065,1309 12.831,1310 0.442,1311 0.321,1312 9.194,1313 12.347,1314 9.012,1315 7.477,1316 12.831,1317 9.322,1318 10.997,1319 0.282,1320 0.181,1321 10.997,1322 7.065,1323 9.48,1324 0.182,1325 0.101,1326 9.48,1327 5.257,1328 7.931,1329 0.117,1330 0.056,1331 7.931,1332 3.819,1333 5.656,1334 0.074,1335 0.032,1336 5.656,1337 2.439,1338 0.273,1339 80.126,1340 0.223,1341 25.622,1342 0.447,1343 136,1344 319.246,1345 146.491,1346 317.256,1347 446.21,1348 300,1349 159,1350 340.49,1351 171.129,1352 347.221,1353 502.27,1354 326,1355 7.77} {0 CHEMBL162463,1 1.386,2 13.379,3 3.75,4 14.065,5 119.437,6 7.028,7 0.636,8 4.112,9 4.251,10 3.657,11 3.645,12 5.116,13 3.617,14 4.667,15 4.865,16 3.983,17 4.064,18 5.568,19 4.007,20 4.918,21 5.159,22 3.944,23 4.213,24 5.696,25 4.096,26 4.991,27 5.245,28 3.86,29 4.231,30 5.734,31 4.076,32 5.028,33 5.321,34 3.766,35 4.153,36 5.713,37 3.98,38 4.896,39 5.19,40 3.692,41 4.012,42 5.593,43 3.859,44 4.731,45 5.003,46 3.631,47 3.899,48 5.496,49 3.763,50 4.679,51 4.956,52 3.467,53 3.833,54 5.415,55 3.679,56 0.073,57 0.883,58 12.23,59 4.691,60 10.915,61 6.768,62 0.242,63 1.437,64 22.859,65 7.7,66 18.389,67 11.455,68 0.267,69 1.678,70 30.407,71 11.019,72 22.08,73 16.293,74 0.201,75 1.727,76 32.896,77 12.664,78 24.723,79 18.643,80 0.271,81 1.699,82 35.524,83 12.883,84 28.564,85 19.359,86 0.282,87 1.507,88 31.305,89 10.598,90 24.825,91 16.179,92 0.248,93 1.33,94 26.002,95 8.914,96 22.755,97 13.485,98 0.251,99 1.241,100 24.819,101 8.315,102 21.998,103 12.626,105 45,106 0.226,107 0.55,108 0.705,109 0.81,110 0.826,111 0.826,112 3.407,113 0.94,114 -4.99,115 -4.89,116 -4.59,119 41.8,121 2,125 5,140 8,141 2,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 5,176 3,178 9,181 1,182 5,186 3,189 7,193 7,197 1,199 3,203 9,206 1,211 2,215 7,218 1,222 1,226 5,229 2,233 2,236 1,237 4,244 4,249 1,252 1,256 5,259 1363,260 20.43,261 20.43,262 20.43,263 20.43,264 20.43,265 18.016,266 23.65,267 12.293,268 20.883,269 16.34,270 16.34,271 16.34,272 16.34,273 16.34,274 12.788,275 28.691,276 5.863,277 17.079,278 4.396,279 2.418,280 1.468,281 0.827,282 0.727,283 0.727,284 4.124,288 1,289 1,290 878,291 2.646,294 148.512,295 281.46,298 125.519,302 2.048,303 10.362,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61,315 388,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.138,327 6.143,328 3.809,329 2.87,330 3.731,331 0.8,332 9.054,333 2.698,334 4.081,335 2.885,336 6.095,337 3.689,338 2.752,339 3.55,341 8.884,342 2.577,343 3.526,344 2.733,345 5.33,346 3.371,347 2.439,348 2.813,350 6.923,351 2.273,352 3.421,353 2.186,354 5.127,355 3.018,356 2.037,357 2.6,359 6.002,360 1.995,361 3.249,362 1.945,363 4.515,364 2.788,365 1.823,366 2.568,368 4.655,369 1.753,370 3.112,371 1.794,372 4.447,373 2.728,374 1.773,375 2.255,377 4.519,378 1.689,379 2.744,380 1.381,381 4.133,382 2.331,383 1.343,384 1.85,386 3.48,387 1.326,388 2.534,389 1.266,390 3.535,391 2.182,392 1.208,393 1.542,395 2.773,396 1.175,397 2.5,398 1.146,399 3.432,400 2.024,401 1.061,402 1.5,404 2.438,405 1.019,406 2.412,407 1.122,408 3.414,409 2,410 1,411 1.379,413 2.275,414 1,415 2.232,416 1,417 3.311,418 1.967,419 1,420 1.166,422 2.136,423 0.965,424 2.118,425 0.922,426 3.247,427 1.851,428 0.886,429 1,431 2.083,432 0.853,433 2,434 0.657,435 3.17,436 1.55,437 0.618,438 0.927,440 1.441,441 0.566,442 1.968,443 0.618,444 3,445 1.518,446 0.592,447 0.805,449 1.372,450 0.556,451 13.9,452 0.479,453 0.479,454 0.017,455 38.25,456 1.319,457 18.5,458 0.638,459 19.75,460 0.681,461 23.328,462 0.804,463 30.5,464 0.555,465 25.186,466 0.868,467 7.515,468 0.259,469 6.85,470 0.236,473 0.266,479 0.901,480 1.427,481 0.823,482 1.119,483 0.644,484 0.989,485 1.317,486 1.068,487 1.017,488 0.944,489 0.834,490 0.946,491 1.043,492 0.955,493 1.063,494 1.013,495 0.767,496 1.035,497 0.752,498 1.111,499 1.066,500 1.196,501 0.792,502 1.171,503 0.697,504 0.967,505 0.916,506 1.017,507 0.806,508 0.995,509 0.914,510 0.917,511 0.906,512 0.909,513 0.774,514 0.907,515 0.915,516 1.028,517 0.981,518 1.028,519 0.883,520 1.015,521 1.147,522 0.934,523 1.122,524 1.014,525 1.335,526 1.056,527 4,528 0.108,529 3.111,530 1.069,531 0.757,532 0.778,533 0.483,534 0.178,535 0.11,536 0.144,537 13629,538 30123,539 2.237,540 47.3,541 2,542 18,543 1,544 2,545 1,547 2,550 1.712,551 2.203,552 3.695,553 -0.371,555 1,559 76.212,560 1.386,561 3.364,562 4.314,563 4.954,564 5.054,565 5.054,566 3.125,567 4.28,568 4.831,569 3.88,570 1575.29,571 8.372,572 22578.2,574 1,577 317.975,578 0.85,579 4.832,580 0.121,581 0.005,582 0.069,583 0.025,584 0.02,585 0.024,586 0.016,587 0.006,588 0.005,589 0.007,590 0.298,591 0.33,592 0.88,594 151.008,595 0.129,596 -0.22,597 0.093,598 -0.086,599 0.249,600 -0.015,601 -0.089,602 0.079,603 -0.053,604 0.029,605 0.03,606 -0.002,607 -0.112,608 0.063,609 -0.102,610 -0.01,611 -0.013,612 -0.047,613 -0.031,614 -0.16,615 -0.115,616 -0.167,617 -0.015,618 -0.153,619 0.087,620 -0.077,621 0.068,622 -0.016,623 0.062,624 0.017,625 0.034,626 -0.002,627 0.095,628 0.063,629 0.092,630 0.082,631 0.077,632 -0.067,633 0.008,634 -0.055,635 0.045,636 -0.035,637 -0.117,638 0.029,639 -0.129,640 -0.049,641 -0.278,642 -0.083,643 0.569,644 0.912,645 0.897,646 31.31,647 0.99,648 1.13,649 3.76,650 14.139,651 0.666,652 3.526,653 3.829,654 4.127,655 4.382,656 4.554,657 4.635,658 4.779,659 4.875,660 4.913,661 4.97,662 7.843,663 0.625,664 386.55,665 3.526,666 5.056,667 5.911,668 6.777,669 7.643,670 8.515,671 9.387,672 10.262,673 11.137,674 12.014,675 10.9,678 1,681 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,709 1,714 55,716 21,717 2,718 33,720 59,721 23,722 16,723 4,724 8,730 5,731 6,743 2,745 16,746 7,761 1,764 26,765 4,766 1,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,827 29,833 7,838 2,844 1,854 13.167,855 9.667,856 6.361,857 3.441,858 3.619,859 1.451,860 1.037,861 5.33,862 11.641,863 3.795,864 4.382,865 4.996,866 5.587,867 6.024,868 6.358,869 6.809,870 7.216,871 7.403,872 7.625,873 0.889,874 42,875 10.697,877 4.507,878 7.408,879 21.275,881 17.902,883 1.908,884 55.333,886 1,887 1,888 294.278,889 131.108,890 58.259,895 131.108,896 294.278,897 58.259,899 15.598,900 84.857,901 74.105,902 36.205,903 13.915,904 258.964,906 294.278,907 189.368,911 270.735,912 23.542,915 54.644,916 101.398,917 33.326,919 294.278,920 58.259,921 131.108,924 294.278,925 29.014,926 110.242,927 16.786,928 33.326,929 294.278,930 58.259,931 131.108,933 0.573,934 0.339,935 0.187,936 0.094,937 23,938 8,939 0.102,940 6,941 1,942 1.077,943 4.371,944 252.234,945 0.077,946 26,947 128.881,951 18.408,952 8.397,953 4.069,954 2.485,955 39.575,956 22.841,957 7.822,958 3.412,961 3.827,962 1.947,963 16.786,964 483.645,965 43.5,975 54.447,976 62.142,977 0.24,978 0.582,979 0.746,980 0.857,981 0.874,982 0.874,983 5.012,984 1.343,985 5.861,986 4.519,987 4.511,988 5.069,989 1.072,990 6.64,991 4.427,992 6.186,993 1.208,994 7.391,995 3.48,996 3.892,997 4.677,998 0.57,999 7.466,1000 3.745,1001 7.469,1002 1.061,1003 9.023,1004 2.773,1005 6.066,1006 7.253,1007 0.653,1008 10.568,1009 5.896,1010 8.793,1011 1,1012 10.72,1013 2.438,1014 6.365,1015 7.839,1016 0.479,1017 12.28,1018 6.137,1019 10.156,1020 1,1021 12.46,1022 2.275,1023 7.91,1024 9.776,1025 0.432,1026 14.852,1027 7.664,1028 11.546,1029 0.886,1030 14.228,1031 2.136,1032 8.631,1033 10.828,1034 0.346,1035 16.91,1036 8.341,1037 12.958,1038 0.618,1039 16.017,1040 2.083,1041 9.917,1042 12.503,1043 0.291,1044 19.308,1045 9.608,1046 3.118,1047 0.592,1048 17.82,1049 1.441,1050 10.839,1051 13.785,1052 0.237,1053 21.51,1054 10.499,1055 2.87,1056 10.431,1057 19.634,1058 1.372,1059 12.016,1060 15.35,1061 0.195,1062 23.849,1063 11.658,1064 2.752,1065 9.054,1066 21.456,1067 4.518,1068 13.034,1069 16.744,1070 0.158,1071 26.114,1072 12.653,1073 2.439,1074 8.884,1075 23.285,1076 3.731,1077 14.167,1078 18.266,1079 0.129,1080 28.436,1081 13.77,1082 2.037,1083 6.923,1084 25.119,1085 3.55,1086 15.232,1087 19.715,1088 0.104,1089 30.731,1090 14.817,1091 1.823,1092 6.002,1093 26.958,1094 2.813,1095 16.349,1096 21.221,1097 0.084,1098 33.051,1099 15.92,1100 1.773,1101 4.655,1102 28.8,1103 2.6,1104 17.438,1105 22.697,1106 0.068,1107 35.362,1108 16.995,1109 12314,1110 18483,1111 23.345,1112 36.648,1113 49.643,1114 48.9,1115 49.108,1116 49.082,1117 49.069,1118 64.442,1119 3.2,1120 137.004,1121 47.044,1122 5.568,1123 5.197,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.096,1130 5.062,1132 1.504,1133 1.482,1134 1.488,1135 1.487,1136 1.487,1137 1.953,1138 0.097,1139 4.152,1140 1.426,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.069,1147 3.951,1148 4.002,1149 3.874,1150 3.849,1151 4.927,1152 3.849,1153 3.83,1154 3.905,1155 3.789,1156 3.616,1157 4.766,1158 3.637,1159 3.746,1160 3.807,1161 3.633,1162 3.557,1163 4.333,1164 3.579,1165 3.495,1166 3.565,1167 3.353,1168 3.347,1169 4.252,1170 3.343,1171 3.273,1172 3.342,1173 3.162,1174 3.105,1175 3.962,1176 3.109,1177 3.111,1178 3.206,1179 2.898,1180 2.941,1181 3.755,1182 2.91,1183 3.023,1184 3.111,1185 2.866,1186 2.821,1187 3.674,1188 2.829,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.094,1194 4.568,1195 0.137,1196 3.197,1197 0.024,1198 6.566,1199 0.316,1200 4.099,1201 0.093,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.065,1210 2.07,1211 1.36,1212 2.072,1213 1.916,1214 1.878,1215 2.035,1216 2.047,1217 1.247,1218 2.044,1219 1.754,1220 1.692,1221 1.946,1222 1.915,1223 1.114,1224 1.93,1225 1.617,1226 1.557,1227 1.828,1228 1.794,1229 1.016,1230 1.808,1231 1.403,1232 1.331,1233 1.575,1234 1.659,1235 0.825,1236 1.637,1237 1.298,1238 1.23,1239 1.513,1240 1.502,1241 0.721,1242 1.509,1243 1.153,1244 1.064,1245 1.478,1246 1.442,1247 0.579,1248 1.429,1249 1.078,1250 0.982,1251 1.239,1252 1.376,1253 0.4,1254 1.379,1255 4.205,1257 5.509,1258 3.045,1259 7.008,1260 5.283,1261 8.591,1262 7.286,1263 10.22,1271 7.917,1276 5.083,1280 34.396,1281 76.212,1282 185.008,1283 237.246,1284 272.465,1285 277.975,1286 277.975,1287 30.902,1288 8.021,1289 52.98,1290 52.98,1291 28,1292 12.552,1293 4.459,1294 3.524,1295 39.978,1296 139,1297 128,1298 0.138,1299 208.847,1300 343.3,1301 501.346,1302 40073,1304 19.468,1305 0.671,1306 0.57,1307 19.468,1308 16.537,1309 14.365,1310 0.435,1311 0.313,1312 10.207,1313 13.852,1314 10.023,1315 8.269,1316 14.365,1317 10.341,1318 12.489,1319 0.278,1320 0.171,1321 12.489,1322 7.681,1323 11.064,1324 0.181,1325 0.096,1326 11.064,1327 5.882,1328 9.318,1329 0.118,1330 0.054,1331 9.318,1332 4.229,1333 7.143,1334 0.076,1335 0.031,1336 7.143,1337 2.898,1338 0.225,1339 89.408,1340 0.207,1341 28.274,1342 0.355,1343 156,1344 368.558,1345 167.518,1346 366.526,1347 521.91,1348 348,1349 184,1350 404.18,1351 197.35,1352 410.992,1353 596.88,1354 388,1355 8.854} {0 CHEMBL162722,1 1.348,2 14.938,3 4.302,4 18.509,5 132.777,6 6.697,7 0.583,8 4.244,9 4.388,10 3.743,11 3.774,12 5.213,13 3.733,14 4.816,15 5.024,16 4.068,17 4.2,18 5.67,19 4.127,20 5.081,21 5.325,22 4.045,23 4.368,24 5.828,25 4.234,26 5.202,27 5.473,28 3.974,29 4.395,30 5.897,31 4.223,32 5.229,33 5.531,34 3.908,35 4.329,36 5.879,37 4.145,38 5.116,39 5.411,40 3.869,41 4.237,42 5.792,43 4.071,44 5.029,45 5.316,46 3.822,47 4.165,48 5.739,49 4.005,50 4.959,51 5.248,52 3.64,53 4.07,54 5.644,55 3.892,56 0.094,57 0.999,58 14.958,59 5.694,60 13.03,61 8.383,62 0.279,63 1.631,64 27.69,65 9.408,66 21.337,67 14.269,68 0.284,69 1.942,70 36.291,71 13.532,72 25.538,73 20.139,74 0.259,75 2.062,76 41.226,77 15.645,78 30.968,79 23.36,80 0.335,81 2.03,82 43.153,83 15.464,84 33.282,85 23.506,86 0.321,87 1.852,88 38.553,89 13.397,90 29.08,91 20.52,92 0.314,93 1.725,94 35.249,95 12.266,96 29.226,97 18.73,98 0.3,99 1.585,100 32.937,101 11.202,102 27.012,103 17.226,104 2,105 49,106 0.214,107 0.526,108 0.709,109 0.801,110 0.817,111 0.837,112 3.502,113 0.976,114 -5.35,115 -5.23,116 -4.89,119 40.6,120 1,121 2,122 1,125 6,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 4,176 3,178 14,181 1,182 5,186 3,189 12,193 8,197 1,199 6,203 10,206 1,211 3,215 8,218 1,222 1,226 6,229 2,233 1,236 1,237 6,244 3,249 2,252 1,256 5,259 1804,260 22.292,261 22.292,262 22.292,263 22.292,264 22.292,265 19.877,266 25.088,267 13.391,268 22.743,269 17.813,270 17.813,271 17.813,272 17.813,273 17.813,274 14.254,275 26.369,276 6.397,277 18.543,278 4.652,279 2.688,280 1.54,281 0.961,282 0.856,283 0.731,284 4.214,289 1,290 1069,291 3.317,294 172.509,295 329.938,298 147.121,302 2.324,303 11.814,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 478,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.111,327 6.095,328 3.822,329 2.84,330 3.731,331 0.8,332 8.884,333 2.799,334 4.059,335 2.905,336 6.051,337 3.689,338 2.753,339 3.54,341 8.695,342 2.578,343 3.648,344 2.876,345 5.477,346 3.533,347 2.598,348 2.813,350 7.326,351 2.418,352 3.433,353 2.52,354 5.15,355 3.131,356 2.197,357 2.67,359 6.375,360 2.061,361 3.272,362 2.181,363 5.109,364 2.996,365 2.022,366 2.591,368 5.994,369 1.957,370 3.24,371 1.795,372 4.514,373 2.732,374 1.776,375 2.361,377 4.655,378 1.697,379 3.004,380 1.775,381 4.189,382 2.697,383 1.71,384 2.101,386 3.929,387 1.679,388 2.742,389 1.37,390 4.133,391 2.314,392 1.329,393 1.847,395 3.48,396 1.307,397 2.5,398 1.174,399 3.492,400 2.109,401 1.138,402 1.5,404 2.598,405 1.103,406 2.432,407 1.146,408 3.425,409 2.011,410 1.026,411 1.41,413 2.416,414 1.009,415 2.342,416 1.058,417 3.414,418 2,419 1,420 1.305,422 2.275,423 1,424 2.235,425 1,426 3.313,427 1.967,428 1,429 1.173,431 2.136,432 0.965,433 2.118,434 0.927,435 3.247,436 1.857,437 0.891,438 1,440 2.091,441 0.858,442 2,443 0.667,444 3.173,445 1.558,446 0.618,447 0.927,449 1.458,450 0.574,451 15.4,452 0.481,453 0.585,454 0.018,455 39.25,456 1.227,457 18,458 0.563,459 21.25,460 0.664,461 29.524,462 0.923,463 34.4,464 0.538,465 26.517,466 0.829,467 7.559,468 0.236,469 8.2,470 0.256,471 0.032,473 0.273,479 0.902,480 1.437,481 0.88,482 1.159,483 0.709,484 1.041,485 1.341,486 1.035,487 1.034,488 0.942,489 0.843,490 0.955,491 0.98,492 1.022,493 1.086,494 1.085,495 0.761,496 1.095,497 0.753,498 1.093,499 1.032,500 1.147,501 0.748,502 1.122,503 0.763,504 0.946,505 0.904,506 0.968,507 0.767,508 0.953,509 0.901,510 0.95,511 0.922,512 0.943,513 0.774,514 0.936,515 0.884,516 0.994,517 0.954,518 0.996,519 0.829,520 0.984,521 1.085,522 0.985,523 1.087,524 1.036,525 1.18,526 1.057,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.854,533 0.445,534 0.273,535 0.208,536 0.148,537 18108,538 37842,539 2.194,540 50,541 5,542 20,543 1,544 2,545 1,547 3,550 1.737,551 2.133,552 3.842,553 -0.403,559 86.279,560 1.348,561 3.312,562 4.46,563 5.039,564 5.144,565 5.269,566 3.281,567 4.375,568 4.973,569 4.048,570 2007.58,571 8.651,572 31750.6,574 1,577 384,578 1.043,579 4.964,580 0.139,581 0.004,582 0.068,583 0.029,584 0.029,585 0.022,586 0.012,587 0.008,588 0.007,589 0.006,590 0.324,591 0.33,592 0.88,593 0.313,594 173.336,595 0.15,596 -0.2,597 0.091,598 -0.076,599 0.229,600 -0.012,601 -0.08,602 0.122,603 -0.035,604 0.059,605 0.043,606 0.024,607 -0.086,608 0.009,609 -0.117,610 -0.062,611 -0.006,612 -0.088,613 -0.012,614 -0.142,615 -0.072,616 -0.126,617 0.031,618 -0.109,619 0.069,620 -0.042,621 0.071,622 0.014,623 0.076,624 0.038,625 0.034,626 -0.017,627 0.062,628 0.03,629 0.067,630 0.046,631 0.08,632 -0.042,633 0.031,634 -0.021,635 0.063,636 -0.004,637 -0.07,638 -0.031,639 -0.099,640 -0.073,641 -0.183,642 -0.086,643 0.743,644 0.926,645 0.813,646 38.758,647 0.986,648 1.131,649 4.115,650 16.936,651 0.655,652 3.611,653 3.912,654 4.19,655 4.431,656 4.595,657 4.654,658 4.796,659 4.905,660 4.956,661 4.997,662 8.772,663 0.609,664 428.64,665 3.611,666 5.142,667 5.989,668 6.851,669 7.711,670 8.578,671 9.444,672 10.313,673 11.183,674 12.055,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,736 1,743 2,745 16,746 10,747 1,764 32,765 4,766 1,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,827 32,833 8,837 1,838 2,844 1,854 15,855 11.5,856 7.028,857 4.075,858 3.531,859 1.432,860 1.01,861 6.562,862 11.699,863 3.861,864 4.431,865 5.022,866 5.598,867 6.028,868 6.35,869 6.794,870 7.2,871 7.396,872 7.611,873 0.9,874 46,875 11.828,877 4.949,878 7.38,879 23.665,881 19.922,883 1.88,884 60.167,888 364.904,889 142.468,890 58.259,895 142.468,896 364.904,897 58.259,898 8.825,899 17.703,900 84.857,901 74.105,902 36.634,903 13.915,904 329.591,906 364.904,907 200.727,911 329.591,912 35.313,915 68.699,916 98.702,917 33.326,919 364.904,920 58.259,921 142.468,924 364.904,925 31.548,926 119.068,927 16.786,928 33.326,929 364.904,930 58.259,931 142.468,933 0.574,934 0.337,935 0.182,936 0.092,937 24,938 9,939 0.118,940 8,941 1,942 1.077,943 4.633,944 283.062,945 0.077,946 26,947 148,951 21.234,952 9.888,953 5.081,954 2.494,955 39.575,956 23.028,957 7.845,958 3.426,961 3.94,962 1.953,963 16.786,964 565.632,965 46.5,975 63.098,976 72.387,977 0.225,978 0.552,979 0.743,980 0.84,981 0.857,982 0.878,983 5.083,984 1.71,985 5.943,986 4.655,987 4.595,988 5.118,989 1.072,990 6.713,991 4.52,992 6.252,993 1.329,994 7.47,995 3.929,996 4.007,997 4.732,998 0.57,999 7.516,1000 3.89,1001 7.531,1002 1.138,1003 9.098,1004 3.48,1005 6.146,1006 7.278,1007 0.653,1008 10.608,1009 6.001,1010 8.848,1011 1.026,1012 10.788,1013 2.598,1014 6.447,1015 7.858,1016 0.479,1017 12.284,1018 6.268,1019 10.204,1020 1,1021 12.518,1022 2.416,1023 7.977,1024 9.786,1025 0.432,1026 14.853,1027 7.775,1028 11.587,1029 1,1030 14.276,1031 2.275,1032 8.689,1033 10.834,1034 0.346,1035 16.885,1036 8.463,1037 12.992,1038 0.891,1039 16.055,1040 2.136,1041 9.966,1042 12.506,1043 0.291,1044 19.281,1045 9.721,1046 3.118,1047 0.618,1048 17.848,1049 2.091,1050 10.878,1051 13.786,1052 0.237,1053 21.469,1054 10.616,1055 2.84,1056 10.431,1057 19.653,1058 1.458,1059 12.049,1060 15.35,1061 0.195,1062 23.808,1063 11.769,1064 2.753,1065 8.884,1066 21.466,1067 4.518,1068 13.058,1069 16.743,1070 0.158,1071 26.067,1072 12.766,1073 2.598,1074 8.695,1075 23.287,1076 3.731,1077 14.185,1078 18.265,1079 0.129,1080 28.39,1081 13.878,1082 2.197,1083 7.326,1084 25.114,1085 3.54,1086 15.244,1087 19.714,1088 0.104,1089 30.685,1090 14.924,1091 2.022,1092 6.375,1093 26.947,1094 2.813,1095 16.356,1096 21.22,1097 0.084,1098 33.007,1099 16.023,1100 1.776,1101 5.994,1102 28.783,1103 2.67,1104 17.44,1105 22.696,1106 0.068,1107 35.319,1108 17.095,1109 16512,1110 24102,1111 25.137,1112 41.932,1113 54.067,1114 53.239,1115 53.673,1116 53.48,1117 53.484,1118 68.872,1119 3.2,1120 148.831,1121 51.489,1122 5.568,1123 5.197,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 7.681,1132 1.502,1133 1.479,1134 1.491,1135 1.486,1136 1.486,1137 1.913,1138 0.089,1139 4.134,1140 1.43,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.958,1148 4.004,1149 3.874,1150 3.884,1151 4.927,1152 3.876,1153 3.84,1154 3.911,1155 3.789,1156 3.653,1157 4.756,1158 3.662,1159 3.812,1160 3.88,1161 3.712,1162 3.579,1163 4.385,1164 3.616,1165 3.554,1166 3.625,1167 3.411,1168 3.401,1169 4.257,1170 3.397,1171 3.425,1172 3.495,1173 3.276,1174 3.291,1175 4.079,1176 3.278,1177 3.267,1178 3.339,1179 3.139,1180 3.098,1181 3.922,1182 3.1,1183 3.111,1184 3.206,1185 2.872,1186 2.941,1187 3.727,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.022,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.086,1210 2.068,1211 1.383,1212 2.076,1213 1.941,1214 1.909,1215 2.047,1216 2.048,1217 1.291,1218 2.047,1219 1.798,1220 1.73,1221 1.988,1222 1.978,1223 1.202,1224 1.99,1225 1.653,1226 1.594,1227 1.862,1228 1.827,1229 1.096,1230 1.842,1231 1.486,1232 1.419,1233 1.746,1234 1.685,1235 0.903,1236 1.699,1237 1.399,1238 1.329,1239 1.577,1240 1.638,1241 0.825,1242 1.632,1243 1.291,1244 1.221,1245 1.513,1246 1.498,1247 0.722,1248 1.51,1249 1.153,1250 1.064,1251 1.481,1252 1.442,1253 0.58,1254 1.429,1255 4.29,1257 5.595,1258 3.045,1259 7.086,1260 5.283,1261 8.66,1262 7.286,1263 10.278,1265 2.345,1271 9.294,1275 0.59,1276 5.251,1280 38.977,1281 86.279,1282 211.998,1283 285.471,1284 322.49,1285 329.245,1286 337.245,1287 38.679,1288 8.168,1289 52.98,1290 52.98,1291 28,1292 12.597,1293 4.459,1294 3.524,1295 46.18,1296 173,1297 154,1298 0.128,1299 237.624,1300 395.2,1301 571.561,1302 49798,1304 21.753,1305 0.68,1306 0.588,1307 21.753,1308 18.821,1309 15.759,1310 0.438,1311 0.325,1312 11.571,1313 15.244,1314 11.294,1315 9.358,1316 15.759,1317 11.708,1318 13.808,1319 0.282,1320 0.183,1321 13.808,1322 8.97,1323 11.982,1324 0.184,1325 0.104,1326 11.982,1327 6.754,1328 9.941,1329 0.12,1330 0.058,1331 9.941,1332 4.831,1333 7.584,1334 0.077,1335 0.034,1336 7.584,1337 3.34,1338 0.211,1339 97.809,1340 0.199,1341 30.882,1342 0.324,1343 170,1344 382.558,1345 181.185,1346 381.661,1347 540.85,1348 362,1349 199,1350 414.476,1351 212.183,1352 423.814,1353 613.72,1354 399,1355 9.31} {0 CHEMBL162724,1 1.487,2 14.531,3 5.054,4 25.538,5 132.34,6 7.361,7 0.444,8 4.202,9 4.332,10 3.771,11 3.781,12 5.185,13 3.737,14 4.777,15 4.962,16 4.142,17 4.21,18 5.715,19 4.138,20 5.059,21 5.29,22 4.138,23 4.344,24 5.948,25 4.22,26 5.079,27 5.329,28 4.006,29 4.287,30 5.941,31 4.143,32 5.041,33 5.308,34 3.958,35 4.206,36 5.895,37 4.071,38 4.92,39 5.154,40 4.036,41 4.192,42 5.834,43 4.076,44 4.942,45 5.179,46 3.913,47 4.209,48 5.745,49 4.064,50 4.969,51 5.249,52 3.799,53 4.123,54 5.722,55 3.947,56 0.071,57 0.898,58 13.062,59 5.627,60 7.215,61 7.757,62 0.222,63 1.509,64 25.598,65 9.582,66 20.854,67 13.596,68 0.336,69 1.836,70 37.845,71 13.426,72 37.783,73 19.001,74 0.284,75 1.807,76 38.937,77 14.086,78 41.37,79 19.889,80 0.352,81 1.714,82 36.939,83 13.336,84 46.906,85 18.834,86 0.351,87 1.588,88 32.612,89 11.719,90 45.859,91 16.617,92 0.249,93 1.659,94 32.454,95 11.95,96 26.593,97 17.252,98 0.263,99 1.597,100 34.934,101 12.741,102 31.539,103 18.379,104 5,105 50,106 0.239,107 0.586,108 0.762,109 0.845,110 0.852,111 0.852,112 3.502,113 0.989,114 -5.37,115 -5.25,116 -4.91,119 42.6,121 4,125 5,134 1,135 1,140 7,141 4,142 1,149 1,150 1,156 1,166 1,169 14,172 6,174 1,176 4,178 17,181 1,182 5,186 7,189 15,193 6,197 4,199 11,203 7,206 1,208 2,211 8,215 6,220 5,222 9,226 5,231 4,233 9,237 5,240 1,242 1,244 10,249 2,253 1,254 1,256 14,259 1882,260 22.032,261 22.032,262 22.032,263 22.032,264 22.032,265 19.814,266 22.399,267 12.991,268 22.42,269 17.78,270 17.78,271 17.78,272 17.78,273 17.78,274 14.377,275 22.695,276 6.209,277 18.434,278 4.444,279 2.283,280 1.187,281 0.668,282 0.623,283 0.623,284 4.212,285 1,289 1,290 1034,291 3.24,294 176.946,295 315.75,298 144.334,302 2.373,303 20.816,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.333,315 465,316 4.568,317 3.568,318 6.566,319 4.109,320 3.12,321 4.515,322 0.98,323 10.433,324 3.087,325 4.193,326 3.201,327 6.106,328 3.857,329 2.865,330 3.758,331 0.8,332 8.925,333 2.84,334 4.108,335 2.993,336 6.051,337 3.746,338 2.752,339 3.554,340 0.657,341 8.692,342 2.734,343 3.69,344 2.905,345 5.369,346 3.467,347 2.536,348 3.029,350 7.028,351 2.36,352 3.561,353 2.833,354 5.32,355 3.341,356 2.403,357 2.756,359 6.877,360 2.252,361 3.42,362 2.551,363 5.105,364 3.109,365 2.188,366 2.524,368 5.965,369 1.97,370 3.319,371 2.147,372 5.002,373 2.956,374 1.974,375 2.493,377 5.923,378 1.907,379 2.995,380 1.97,381 4.43,382 2.513,383 1.536,384 2.117,386 4.349,387 1.491,388 2.735,389 1.646,390 4.119,391 2.329,392 1.343,393 1.791,395 3.442,396 1.322,397 2.665,398 1.401,399 3.997,400 2.227,401 1.246,402 1.647,404 3.198,405 1.188,406 2.5,407 1.396,408 3.52,409 2.14,410 1.155,411 1.5,413 2.74,414 1.128,415 2.345,416 1.235,417 3.414,418 2,419 1,420 1.329,422 2.275,423 1,424 2.137,425 1,426 3.414,427 1.984,428 1,429 1.048,431 2.275,432 0.983,433 2.058,434 0.858,435 3.262,436 1.73,437 0.77,438 0.998,440 1.806,441 0.737,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.648,452 0.489,453 0.691,454 0.022,455 37.5,456 1.172,457 17,458 0.531,459 20.5,460 0.641,461 30.352,462 0.949,463 34.152,464 0.56,465 26.976,466 0.843,467 7.172,468 0.224,469 8.481,470 0.265,471 0.067,473 0.307,479 0.701,480 1.228,481 0.7,482 0.979,483 0.535,484 0.936,485 0.896,486 1.128,487 0.81,488 0.932,489 0.522,490 0.95,491 0.96,492 1.057,493 0.984,494 1.029,495 0.756,496 1.046,497 0.951,498 1.086,499 0.918,500 1.067,501 1.036,502 1.058,503 1.042,504 0.917,505 0.702,506 0.845,507 1.387,508 0.868,509 0.774,510 1.079,511 0.763,512 0.997,513 0.868,514 0.985,515 0.705,516 1.21,517 0.945,518 1.18,519 0.52,520 1.194,521 0.652,522 0.986,523 0.783,524 0.974,525 0.519,526 1.001,527 6,528 0.115,529 3.778,530 1.451,531 1.383,532 1.062,533 0.501,534 0.327,535 0.37,536 0.148,537 17044,538 39827,539 2.174,540 47.5,542 18,543 1,545 2,547 8,550 1.74,551 2.087,552 3.8,553 0.146,559 90.682,560 1.487,561 3.648,562 4.744,563 5.263,564 5.308,565 5.308,566 3.3,567 4.39,568 4.967,569 3.99,570 1979.13,571 8.663,572 30327.8,574 1,577 361.775,578 1.198,579 4.954,580 0.167,581 0.004,582 0.076,583 0.031,584 0.034,585 0.027,586 0.012,587 0.009,588 0.012,589 0.005,590 0.375,591 0.33,592 0.88,593 0.406,594 171.702,595 0.042,596 -0.028,597 0.041,598 0.009,599 0.008,600 0.03,601 -0.023,602 0.017,603 -0.007,604 0.022,605 0.077,607 -0.044,608 -0.024,609 -0.078,610 -0.059,611 0.054,612 -0.074,613 -0.047,614 -0.111,615 -0.052,616 -0.096,617 -0.025,618 -0.075,619 -0.015,620 0.036,621 0.092,622 0.104,623 -0.063,624 0.104,625 0.121,626 -0.069,627 0.061,628 -0.03,629 0.094,630 -0.008,631 -0.024,632 -0.173,633 -0.142,634 -0.22,635 -0.062,636 -0.217,637 0.049,638 -0.033,639 0.053,640 -0.013,641 0.061,642 -0.01,643 1.769,644 5.463,645 0.813,646 40.789,647 0.993,648 1.124,649 4.138,650 17.127,651 0.676,652 3.611,653 3.932,654 4.205,655 4.443,656 4.635,657 4.736,658 4.875,659 5.043,660 5.147,661 5.263,662 8.335,663 0.631,664 449.04,665 3.611,666 5.153,667 6.004,668 6.872,669 7.736,670 8.608,671 9.478,672 10.353,673 11.226,674 12.105,675 6.6,678 2,682 1,683 1,687 2,688 8,690 1,693 4,695 16,713 1,714 61,716 18,717 2,718 36,720 65,721 26,722 14,723 5,724 7,725 3,730 5,731 6,732 1,740 3,743 4,745 17,746 9,750 2,755 1,757 1,759 2,764 29,765 4,766 2,767 6,768 1,773 4,776 1,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,824 1,827 32,833 9,834 1,838 2,846 1,847 1.6,850 1,854 15.333,855 10.71,856 6.944,857 3.919,858 3.328,859 1.402,860 1.026,861 6.534,862 11.595,863 3.85,864 4.428,865 5.003,866 5.555,867 6.053,868 6.375,869 6.753,870 7.108,871 7.262,872 7.543,873 0.9,874 47,875 11.875,877 5.085,878 7.53,879 23.459,881 19.989,883 2.03,884 64.944,888 317.82,889 131.189,890 40.8,891 39.149,892 25.145,895 131.189,896 382.113,897 40.8,899 38.555,900 84.857,901 29.85,902 41.728,903 13.915,904 306.049,905 39.149,906 317.82,907 171.989,908 25.145,909 39.149,911 223.651,912 119.314,915 61.467,916 101.046,917 48.625,919 317.82,920 65.945,921 170.337,924 317.82,925 46.331,926 90.984,927 34.674,928 64.294,929 317.82,930 65.945,931 170.337,933 0.583,934 0.338,935 0.176,936 0.09,937 25,938 10,939 0.092,940 6,941 1,942 1.077,943 4.551,944 289.006,945 0.077,946 26,947 152,951 21.567,952 9.696,953 5.06,954 2.541,955 49.159,956 15.873,958 3.439,961 3.93,963 34.674,964 554.102,965 46,970 12.463,972 2.226,974 1.241,975 60.545,976 68.544,977 0.251,978 0.615,979 0.8,980 0.887,981 0.895,982 0.895,983 5.094,984 1.536,985 5.974,986 5.923,987 4.615,988 5.115,989 1.557,990 6.753,991 4.552,992 6.279,993 1.343,994 7.512,995 4.349,996 4.111,997 4.879,998 0.325,999 7.573,1000 3.998,1001 7.575,1002 1.246,1003 9.145,1004 3.442,1005 6.184,1006 7.288,1007 1.302,1008 10.645,1009 6.077,1010 8.907,1011 1.155,1012 10.836,1013 3.198,1014 6.524,1015 7.94,1016 0.268,1017 12.311,1018 6.392,1019 10.273,1020 1,1021 12.565,1022 2.74,1023 8.02,1024 9.804,1025 1.163,1026 14.876,1027 7.887,1028 11.663,1029 1,1030 14.32,1031 2.275,1032 8.746,1033 10.879,1034 0.188,1035 16.899,1036 8.605,1037 13.072,1038 0.77,1039 16.093,1040 2.275,1041 10.007,1042 12.523,1043 1.078,1044 19.294,1045 9.861,1046 3.12,1047 0.618,1048 17.882,1049 1.806,1050 10.923,1051 13.811,1052 0.125,1053 21.478,1054 10.775,1055 2.865,1056 10.433,1057 19.682,1058 1.372,1059 12.084,1060 15.362,1061 1.018,1062 23.817,1063 11.931,1064 2.752,1065 8.925,1066 21.491,1067 4.515,1068 13.094,1069 16.756,1070 0.082,1071 26.075,1072 12.939,1073 2.536,1074 8.692,1075 23.309,1076 3.758,1077 14.217,1078 18.272,1079 0.974,1080 28.397,1081 14.056,1082 2.403,1083 7.028,1084 25.132,1085 3.554,1086 15.275,1087 19.719,1088 0.054,1089 30.691,1090 15.111,1091 2.188,1092 6.877,1093 26.962,1094 3.029,1095 16.385,1096 21.221,1097 0.937,1098 33.013,1099 16.215,1100 1.974,1101 5.965,1102 28.797,1103 2.756,1104 17.469,1105 22.696,1106 0.035,1107 35.326,1108 17.294,1109 15663,1110 24188,1111 24.849,1112 41.233,1113 53.99,1114 55.272,1115 54.354,1116 53.956,1117 53.719,1118 68.167,1119 4.874,1120 152.295,1121 51.884,1122 5.519,1123 5.568,1124 6.196,1125 5.149,1126 5.12,1127 7.515,1128 1.96,1129 17.105,1130 5.087,1131 11.082,1132 1.5,1133 1.535,1134 1.51,1135 1.499,1136 1.492,1137 1.894,1138 0.135,1139 4.23,1140 1.441,1141 4.149,1142 4.183,1143 4.107,1144 4.073,1145 7.429,1146 4.077,1147 3.934,1148 3.963,1149 4.002,1150 3.864,1151 4.97,1152 3.86,1153 3.849,1154 3.917,1155 3.753,1156 3.71,1157 4.928,1158 3.709,1159 3.808,1160 3.859,1161 3.707,1162 3.666,1163 4.512,1164 3.664,1165 3.468,1166 3.524,1167 3.5,1168 3.336,1169 4.343,1170 3.33,1171 3.329,1172 3.385,1173 3.314,1174 3.126,1175 4.29,1176 3.149,1177 3.21,1178 3.27,1179 3.11,1180 3.026,1181 4.19,1182 3.027,1183 3.035,1184 3.127,1185 2.975,1186 2.873,1187 3.883,1188 2.846,1189 0.127,1190 0.099,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.568,1197 0.027,1198 6.566,1199 0.29,1200 4.109,1201 0.086,1202 3.12,1203 4.515,1204 0.98,1205 10.433,1206 3.087,1207 1.994,1208 1.971,1209 2.089,1210 2.079,1211 1.331,1212 2.083,1213 1.896,1214 1.877,1215 1.98,1216 1.986,1217 1.23,1218 1.988,1219 1.744,1220 1.696,1221 1.919,1222 1.898,1223 1.211,1224 1.91,1225 1.665,1226 1.602,1227 1.86,1228 1.869,1229 1.078,1230 1.869,1231 1.577,1232 1.507,1233 1.851,1234 1.751,1235 1.06,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.659,1241 0.872,1242 1.658,1243 1.221,1244 1.184,1245 1.435,1246 1.48,1247 0.692,1248 1.452,1249 1.107,1250 1.04,1251 1.411,1252 1.341,1253 0.535,1254 1.369,1255 4.29,1257 5.609,1258 3.045,1259 7.111,1260 5.283,1261 8.692,1262 7.273,1263 10.316,1266 5.914,1271 9.777,1272 3.002,1276 4.538,1280 38.476,1281 90.682,1282 222.536,1283 289.369,1284 321.02,1285 323.775,1286 323.775,1287 46.673,1288 8.268,1289 51.37,1290 51.37,1291 28,1292 12.643,1293 4.248,1294 3.459,1295 46.014,1296 160,1297 164,1298 0.137,1299 236.364,1300 408.1,1301 568.488,1302 52922,1303 1.6,1304 21.916,1305 0.685,1306 0.594,1307 22.416,1308 18.997,1309 15.653,1310 0.435,1311 0.33,1312 11.411,1313 14.94,1314 11.153,1315 9.165,1316 15.942,1317 11.867,1318 14.076,1319 0.282,1320 0.184,1321 14.484,1322 9.183,1323 12.151,1324 0.184,1325 0.104,1326 12.44,1327 6.861,1328 9.884,1329 0.118,1330 0.058,1331 10.051,1332 4.838,1333 7.649,1334 0.075,1335 0.031,1336 7.863,1337 3.183,1338 0.223,1339 99.758,1340 0.201,1341 30.624,1342 0.357,1343 172,1344 413.895,1345 197.671,1346 438.699,1347 600.13,1348 412,1349 202,1350 425.035,1351 223.077,1352 443.01,1353 647.87,1354 419,1355 8.215} {0 CHEMBL162771,1 1.345,2 13.839,3 4.851,4 23.534,5 128.565,6 6.279,7 0.286,8 4.279,9 4.423,10 3.716,11 3.813,12 5.142,13 3.754,14 4.904,15 5.112,16 4.065,17 4.268,18 5.698,19 4.171,20 5.225,21 5.488,22 4.06,23 4.415,24 5.967,25 4.264,26 5.237,27 5.516,28 3.968,29 4.354,30 5.999,31 4.19,32 5.152,33 5.435,34 3.921,35 4.25,36 5.955,37 4.102,38 5.021,39 5.275,40 3.92,41 4.238,42 5.795,43 4.102,44 5.073,45 5.335,46 3.859,47 4.274,48 5.764,49 4.107,50 5.101,51 5.402,52 3.684,53 4.182,54 5.756,55 3.979,56 0.106,57 1.002,58 16.634,59 6.568,60 8.44,61 9.601,62 0.266,63 1.699,64 31.19,65 11.234,66 20.729,67 17.039,68 0.383,69 2.081,70 42.652,71 15.235,72 33.021,73 23.039,74 0.356,75 2.003,76 43.098,77 15.193,78 38.187,79 22.884,80 0.416,81 1.815,82 39.962,83 13.511,84 46.926,85 20.333,86 0.294,87 1.721,88 34.892,89 12.345,90 32.611,91 18.62,92 0.251,93 1.818,94 36.34,95 13.237,96 24.137,97 20.158,98 0.288,99 1.718,100 37.096,101 13.566,102 30.829,103 20.515,104 2,105 48,106 0.214,107 0.517,108 0.721,109 0.829,110 0.842,111 0.842,112 3.471,113 1.057,114 -4.86,115 -4.77,116 -4.48,119 38.8,121 9,122 1,125 5,134 1,135 1,140 3,141 3,149 1,150 1,156 1,166 1,169 16,172 6,174 1,176 4,178 17,181 1,182 5,186 7,189 14,193 6,197 4,199 10,203 8,206 1,208 3,211 8,215 6,220 4,222 9,226 4,231 4,233 9,237 5,240 1,242 1,244 12,249 2,253 1,254 1,256 13,259 1735,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 20.104,266 22.529,267 12.905,268 21.837,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 14.95,275 24.018,276 6.172,277 17.692,278 4.721,279 2.819,280 1.535,281 0.858,282 0.776,283 0.776,284 4.184,288 1,289 1,290 957,291 3.162,294 168.859,295 302.383,298 137.264,302 2.306,303 18.383,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 65,315 429,316 4.568,317 3.708,318 6.566,319 4.109,320 3.12,321 4.515,322 1.886,323 10.433,324 3.087,325 4.119,326 3.201,327 6.105,328 3.846,329 2.852,330 3.555,331 0.8,332 8.923,333 2.835,334 3.966,335 2.994,336 6.044,337 3.74,338 2.741,339 3.128,340 0.657,341 8.668,342 2.733,343 3.562,344 2.834,345 5.368,346 3.466,347 2.536,348 2.755,350 7.028,351 2.36,352 3.429,353 2.561,354 5.309,355 3.297,356 2.337,357 2.515,359 6.833,360 2.238,361 3.322,362 2.205,363 5.104,364 2.965,365 1.979,366 2.481,368 5.94,369 1.948,370 3.012,371 2.144,372 4.439,373 2.75,374 1.745,375 2.098,377 4.4,378 1.746,379 2.835,380 1.646,381 4.185,382 2.473,383 1.492,384 1.848,386 3.854,387 1.462,388 2.684,389 1.401,390 4.089,391 2.326,392 1.339,393 1.726,395 3.362,396 1.32,397 2.346,398 1.396,399 3.521,400 2.157,401 1.177,402 1.33,404 2.743,405 1.151,406 2.177,407 1.382,408 3.445,409 2.031,410 1.022,411 1.113,413 2.461,414 1.024,415 2.136,416 1.235,417 3.414,418 2,419 1,420 1.048,422 2.275,423 1,424 2.056,425 1,426 3.261,427 1.984,428 1,429 1,431 2.136,432 0.983,433 2,434 0.857,435 3.247,436 1.729,437 0.768,438 0.993,440 1.804,441 0.737,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 14.933,452 0.482,453 0.585,454 0.019,455 30.75,456 0.992,457 11,458 0.355,459 19.75,460 0.637,461 34.116,462 1.101,463 34.867,464 0.52,465 20.248,466 0.653,467 5.183,468 0.167,469 10.076,470 0.325,471 0.022,473 0.288,479 0.777,480 1.335,481 0.956,482 1.164,483 0.538,484 1.086,485 0.955,486 1.206,487 1.059,488 1.096,489 0.542,490 1.079,491 0.997,492 1.058,493 1.05,494 1.048,495 0.888,496 1.05,497 1.164,498 1.036,499 1.013,500 1.021,501 1.362,502 1.008,503 1.485,504 0.892,505 0.964,506 0.857,507 1.892,508 0.871,509 1.254,510 1.076,511 1.052,512 1.008,513 1.298,514 1.014,515 0.811,516 1.186,517 1.12,518 1.172,519 0.482,520 1.167,521 0.68,522 0.993,523 0.966,524 1.033,525 0.508,526 1.023,527 5,528 0.094,529 3.333,530 1.389,531 1.192,532 0.951,533 0.462,534 0.265,535 0.321,536 0.138,537 15639,538 27285,539 2.2,540 53.7,541 10,542 14,543 1,545 2,546 1,547 8,550 1.732,551 2.138,552 3.739,553 0.129,559 90.099,560 1.345,561 3.247,562 4.532,563 5.208,564 5.29,565 5.29,566 3.26,567 4.349,568 4.921,569 3.934,570 1829.24,571 8.573,572 27237.9,577 406.428,578 1.058,579 4.918,580 0.143,581 0.004,582 0.069,583 0.031,584 0.03,585 0.024,586 0.012,587 0.007,588 0.011,589 0.005,590 0.336,591 0.33,592 0.88,593 0.32,594 164.311,595 0.09,596 -0.04,597 0.079,598 0.007,599 0.046,600 0.034,601 0.009,602 -0.027,603 -0.037,604 -0.03,605 0.063,606 -0.035,607 -0.011,608 -0.025,609 -0.056,610 -0.045,611 0.015,612 -0.052,613 -0.053,614 -0.061,615 -0.02,616 -0.04,617 -0.068,618 -0.028,619 -0.072,620 0.069,621 0.053,622 0.098,623 -0.106,624 0.086,625 -0.118,626 -0.033,627 -0.044,628 0.002,629 -0.094,630 -0.014,631 -0.069,632 -0.138,633 -0.144,634 -0.157,635 -0.038,636 -0.156,637 0.045,638 -0.047,639 -0.01,640 -0.06,641 0.06,642 -0.042,643 1.437,644 5.549,645 0.839,646 38.672,647 0.983,648 1.132,649 3.634,650 13.208,651 0.637,652 3.584,653 3.892,654 4.174,655 4.419,656 4.595,657 4.682,658 4.86,659 5.017,660 5.124,661 5.242,662 8.052,663 0.586,664 420.66,665 3.584,666 5.118,667 5.969,668 6.834,669 7.698,670 8.568,671 9.438,672 10.312,673 11.186,674 12.063,675 6,678 2,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 67,716 12,717 1,718 35,720 71,721 26,722 8,723 3,724 3,725 2,730 5,731 6,740 8,741 1,743 9,745 11,746 15,747 1,750 2,755 1,757 1,759 2,764 36,765 4,766 2,767 5,773 4,776 1,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,827 31,833 14,834 1,837 1,838 2,847 1.5,850 1,854 14.5,855 11.567,856 6.778,857 4.682,858 2.451,859 1.3,860 1.007,861 6.658,862 10.631,863 3.761,864 4.28,865 4.825,866 5.367,867 5.835,868 6.219,869 6.665,870 7.052,871 7.188,872 7.46,873 1,874 45,875 11.599,877 4.983,878 7.382,879 23.537,881 20.567,883 1.882,884 58.333,888 400.217,889 99.27,890 40.8,892 25.145,895 99.27,896 425.362,897 40.8,899 51.228,900 46.952,901 29.85,902 35.041,903 13.915,904 388.446,906 400.217,907 140.07,908 25.145,911 306.049,912 119.314,915 74.139,916 56.455,917 9.476,919 400.217,920 65.945,921 99.27,924 400.217,925 52.318,926 53.079,927 34.674,928 25.145,929 400.217,930 65.945,931 99.27,933 0.577,934 0.338,935 0.181,936 0.09,937 24,938 9,939 0.085,940 6,941 1,942 1.077,943 4.49,944 277.224,945 0.077,946 26,947 145.58,951 21.087,952 9.788,953 5.012,954 2.601,955 49.159,956 9.031,958 3.46,961 2.759,963 34.674,964 565.432,965 42,970 12.549,972 2.294,974 1.629,975 65.872,976 75.846,977 0.222,978 0.535,979 0.747,980 0.858,981 0.872,982 0.872,983 5.014,984 1.492,985 5.927,986 4.4,987 4.575,988 4.966,989 2.146,990 6.703,991 4.535,992 6.165,993 1.339,994 7.459,995 3.854,996 4.007,997 4.705,998 1.668,999 7.516,1000 3.953,1001 7.449,1002 1.177,1003 9.09,1004 3.362,1005 6.133,1006 7.077,1007 2.904,1008 10.606,1009 6.059,1010 8.769,1011 1.022,1012 10.782,1013 2.743,1014 6.447,1015 7.766,1016 2.996,1017 12.284,1018 6.366,1019 10.129,1020 1,1021 12.515,1022 2.461,1023 7.97,1024 9.592,1025 3.98,1026 14.853,1027 7.872,1028 11.516,1029 1,1030 14.274,1031 2.275,1032 8.689,1033 10.722,1034 4.333,1035 16.886,1036 8.589,1037 12.923,1038 0.768,1039 16.054,1040 2.136,1041 9.963,1042 12.345,1043 5.164,1044 19.282,1045 9.849,1046 3.12,1047 0.618,1048 17.847,1049 1.804,1050 10.878,1051 13.68,1052 5.648,1053 21.471,1054 10.763,1055 2.852,1056 10.433,1057 19.652,1058 1.372,1059 12.046,1060 15.226,1061 6.391,1062 23.81,1063 11.921,1064 2.741,1065 8.923,1066 21.466,1067 4.515,1068 13.058,1069 16.654,1070 6.945,1071 26.07,1072 12.93,1073 2.536,1074 8.668,1075 23.287,1076 3.555,1077 14.185,1078 18.172,1079 7.638,1080 28.393,1081 14.048,1082 2.337,1083 7.028,1084 25.115,1085 3.128,1086 15.244,1087 19.641,1088 8.229,1089 30.688,1090 15.104,1091 1.979,1092 6.833,1093 26.947,1094 2.755,1095 16.357,1096 21.15,1097 8.895,1098 33.01,1099 16.208,1100 1.745,1101 5.94,1102 28.784,1103 2.515,1104 17.442,1105 22.639,1106 9.506,1107 35.323,1108 17.287,1109 14301,1110 19023,1111 24.444,1112 42.66,1113 52.311,1114 53.23,1115 52.289,1116 52.135,1117 52.155,1118 62.259,1119 6.686,1120 146.154,1121 51.131,1122 5.568,1123 5.708,1124 6.368,1125 5.149,1126 5.12,1127 7.515,1128 3.272,1129 17.105,1130 5.087,1131 7.409,1132 1.495,1133 1.521,1134 1.494,1135 1.49,1136 1.49,1137 1.779,1138 0.191,1139 4.176,1140 1.461,1141 4.149,1142 4.183,1143 4.105,1144 4.073,1145 7.428,1146 4.077,1147 3.911,1148 3.965,1149 3.807,1150 3.782,1151 4.966,1152 3.775,1153 3.849,1154 3.918,1155 3.726,1156 3.707,1157 4.513,1158 3.705,1159 3.801,1160 3.86,1161 3.684,1162 3.662,1163 4.344,1164 3.66,1165 3.475,1166 3.533,1167 3.375,1168 3.336,1169 4.251,1170 3.331,1171 3.365,1172 3.423,1173 3.238,1174 3.166,1175 4.185,1176 3.181,1177 3.229,1178 3.306,1179 3.077,1180 3.04,1181 3.889,1182 3.038,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.79,1188 2.91,1189 0.131,1190 0.106,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.708,1197 0.054,1198 6.566,1199 0.298,1200 4.109,1201 0.088,1202 3.12,1203 4.515,1204 1.886,1205 10.433,1206 3.087,1207 1.994,1208 1.971,1209 2.103,1210 2.082,1211 1.484,1212 2.087,1213 1.884,1214 1.834,1215 2.084,1216 2.028,1217 1.33,1218 2.05,1219 1.745,1220 1.695,1221 1.923,1222 1.909,1223 1.229,1224 1.917,1225 1.665,1226 1.602,1227 1.86,1228 1.871,1229 1.211,1230 1.871,1231 1.577,1232 1.507,1233 1.853,1234 1.751,1235 1.067,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.661,1241 0.873,1242 1.658,1243 1.316,1244 1.265,1245 1.54,1246 1.56,1247 0.837,1248 1.55,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.825,1254 1.429,1255 4.263,1257 5.572,1258 3.045,1259 7.069,1260 5.283,1261 8.647,1262 7.273,1263 10.27,1271 15.936,1272 3.179,1275 0.217,1276 4.68,1280 39.229,1281 90.099,1282 217.531,1283 303.615,1284 348.918,1285 354.428,1286 354.428,1287 47.072,1288 8.18,1289 51.37,1290 51.37,1291 28,1292 12.602,1293 3.7,1294 3,1295 43.894,1296 149,1297 144,1298 0.14,1299 236.813,1300 411.71,1301 569.585,1302 47281,1304 21.045,1305 0.679,1306 0.602,1307 21.045,1308 18.666,1309 15.259,1310 0.436,1311 0.352,1312 12.226,1313 14.855,1314 12.003,1315 9.88,1316 15.259,1317 12.333,1318 13.454,1319 0.28,1320 0.2,1321 13.454,1322 9.609,1323 11.741,1324 0.183,1325 0.117,1326 11.741,1327 7.488,1328 9.732,1329 0.119,1330 0.067,1331 9.732,1332 5.515,1333 7.437,1334 0.076,1335 0.038,1336 7.437,1337 3.704,1338 0.227,1339 94.219,1340 0.202,1341 29.794,1342 0.367,1343 166,1344 347.691,1345 176.152,1346 342.076,1347 480.67,1348 324,1349 195,1350 362.172,1351 206.319,1352 367.586,1353 539.58,1354 349,1355 7.538} {0 CHEMBL162805,1 1.494,2 13.448,3 3.057,4 9.345,5 115.942,6 7.101,7 0.606,8 4.123,9 4.257,10 3.674,11 3.616,12 5.132,13 3.601,14 4.689,15 4.886,16 4,17 4.036,18 5.596,19 3.993,20 4.913,21 5.149,22 3.899,23 4.167,24 5.686,25 4.049,26 5.005,27 5.27,28 3.85,29 4.189,30 5.726,31 4.036,32 5.017,33 5.309,34 3.791,35 4.099,36 5.717,37 3.951,38 4.861,39 5.126,40 3.734,41 4.01,42 5.615,43 3.876,44 4.789,45 5.066,46 3.652,47 3.918,48 5.538,49 3.777,50 4.704,51 4.987,52 3.475,53 3.804,54 5.433,55 3.66,56 0.053,57 0.88,58 12.308,59 4.664,60 10.497,61 6.66,62 0.267,63 1.418,64 23.58,65 7.57,66 19.415,67 11.216,68 0.364,69 1.605,70 30.598,71 10.777,72 23.527,73 15.82,74 0.204,75 1.679,76 33.897,77 12.479,78 24.039,79 18.65,80 0.377,81 1.597,82 35.972,83 11.844,84 30.94,85 17.951,86 0.361,87 1.44,88 29.983,89 9.97,90 26.085,91 15.017,92 0.249,93 1.355,94 27.761,95 9.29,96 23.678,97 14.284,98 0.311,99 1.207,100 25.99,101 8.093,102 23.873,103 12.473,105 45,106 0.245,107 0.584,108 0.753,109 0.821,110 0.845,111 0.845,112 3.407,113 0.934,114 -3.82,115 -3.78,116 -3.59,119 40,121 2,125 6,140 5,141 2,142 1,149 2,150 2,158 2,164 1,169 6,171 2,172 5,176 3,178 5,181 2,182 4,186 3,189 5,193 7,197 1,199 3,203 7,206 1,211 2,214 1,215 6,218 1,222 1,226 5,229 2,236 1,237 5,244 1,249 2,252 1,256 2,259 1395,260 20.378,261 20.378,262 20.378,263 20.378,264 20.378,265 18.068,266 24.198,267 12.252,268 20.828,269 16.352,270 16.352,271 16.352,272 16.352,273 16.352,274 12.946,275 28.599,276 5.873,277 17.081,278 4.288,279 2.214,280 1.179,281 0.764,282 0.618,283 0.618,284 4.123,288 1,289 1,290 883,291 2.828,294 242.272,295 179.962,298 127.211,302 2.119,303 12.797,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 390,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.063,327 6.095,328 3.692,329 2.754,330 3.731,331 0.8,332 8.884,333 2.609,334 3.961,335 2.884,336 5.62,337 3.677,338 2.73,339 3.49,340 0.172,341 7.796,342 2.577,343 3.61,344 2.76,345 5.336,346 3.441,347 2.484,348 2.813,350 6.961,351 2.359,352 3.43,353 2.354,354 5.129,355 3.065,356 2.112,357 2.634,359 6.02,360 2.022,361 3.251,362 2.178,363 4.96,364 2.964,365 2.007,366 2.588,368 5.87,369 1.898,370 3.156,371 1.795,372 4.514,373 2.73,374 1.776,375 2.188,377 4.655,378 1.69,379 2.742,380 1.382,381 4.133,382 2.319,383 1.333,384 1.848,386 3.482,387 1.313,388 2.562,389 1.314,390 3.496,391 2.177,392 1.19,393 1.584,395 2.643,396 1.174,397 2.424,398 1.151,399 3.414,400 2.067,401 1.099,402 1.396,404 2.46,405 1.061,406 2.252,407 1.146,408 3.404,409 1.967,410 1,411 1.192,413 2.275,414 0.965,415 2.118,416 0.931,417 3.312,418 1.858,419 0.893,420 1,422 2.093,423 0.86,424 2.118,425 0.669,426 3.172,427 1.618,428 0.618,429 0.927,431 1.462,432 0.618,433 2,434 0.618,435 3,436 1.56,437 0.618,438 0.927,440 1.372,441 0.575,442 1.983,443 0.618,444 3,445 1.518,446 0.602,447 0.82,449 1.372,450 0.556,451 13.733,452 0.474,453 0.496,454 0.017,455 36.25,456 1.25,457 16,458 0.552,459 20.25,460 0.698,461 24.244,462 0.836,463 31.267,464 0.568,465 23.925,466 0.825,467 7.221,468 0.249,469 7.128,470 0.246,473 0.269,479 0.894,480 1.508,481 0.806,482 1.196,483 0.625,484 1.021,485 1.277,486 1.05,487 1.011,488 0.934,489 0.855,490 0.927,491 1.006,492 0.971,493 1.12,494 1.051,495 0.854,496 1.096,497 0.596,498 1.124,499 0.974,500 1.18,501 0.627,502 1.135,503 0.928,504 0.861,505 0.887,506 0.881,507 0.898,508 0.884,509 0.958,510 0.981,511 1.016,512 0.998,513 0.941,514 1.018,515 0.648,516 1.08,517 0.937,518 1.076,519 0.716,520 1.045,521 1.069,522 0.875,523 1.073,524 0.929,525 1.213,526 0.985,527 4.5,528 0.094,529 2.667,530 1.104,531 0.881,532 0.639,533 0.474,534 0.208,535 0.133,536 0.123,537 13886,538 32498,539 2.237,540 47.3,541 2,542 17,543 2,544 2,545 1,547 2,550 1.712,551 2.203,552 3.702,553 -0.336,554 1,555 1,559 82.146,560 1.494,561 3.568,562 4.603,563 5.018,564 5.163,565 5.163,566 3.125,567 4.28,568 4.829,569 3.909,570 1587.12,571 8.368,572 22946,574 1,576 1,577 317.975,578 0.85,579 4.832,580 0.136,581 0.004,582 0.059,583 0.028,584 0.024,585 0.019,586 0.015,587 0.007,588 0.006,589 0.006,590 0.305,591 0.33,592 0.88,594 151.459,595 0.065,596 -0.271,597 0.098,598 -0.127,599 0.241,600 -0.03,601 -0.129,602 0.106,603 -0.048,604 0.049,605 0.028,606 0.021,607 -0.083,608 0.047,609 -0.163,610 -0.036,611 -0.061,612 -0.101,613 0.031,614 -0.182,615 -0.029,616 -0.149,617 0.074,618 -0.105,619 -0.003,620 0.025,621 0.111,622 0.1,623 0.026,624 0.116,625 -0.001,626 -0.03,627 -0.033,628 -0.011,629 -0.032,630 -0.027,631 0.085,632 -0.129,633 0.033,634 -0.094,635 0.073,636 -0.047,637 -0.115,638 0.073,639 -0.077,640 0.024,641 -0.214,642 -0.013,643 0.608,644 1.97,645 0.862,646 32.604,647 0.996,648 1.134,649 2.594,650 6.728,651 0.656,652 3.526,653 3.829,654 4.111,655 4.369,656 4.489,657 4.595,658 4.745,659 4.86,660 4.898,661 4.942,662 7.989,663 0.62,664 390.54,665 3.526,666 5.056,667 5.905,668 6.77,669 7.631,670 8.5,671 9.367,672 10.239,673 11.11,674 11.985,675 10.9,678 2,683 2,685 2,687 2,688 9,689 2,690 1,691 1,693 3,694 1,695 20,714 55,716 20,717 1,718 33,720 59,721 22,722 14,723 3,724 3,730 5,731 6,743 2,745 14,746 8,761 1,763 1,764 26,765 5,766 1,767 7,773 6,777 0.8,778 1,788 1,792 3,793 2,796 1,815 2,819 4,827 29,833 8,838 2,844 1,847 1.8,852 1,854 13.167,855 9.667,856 6.333,857 3.408,858 3.341,859 1.419,860 1.028,861 5.479,862 11.313,863 3.784,864 4.366,865 4.965,866 5.558,867 5.894,868 6.309,869 6.769,870 7.189,871 7.379,872 7.599,873 0.889,874 39,875 10.698,877 4.51,878 7.443,879 21.212,881 17.809,883 1.943,884 56.333,887 1,888 294.278,889 119.217,890 58.259,892 9.507,895 119.217,896 303.785,897 58.259,899 17.703,900 68.168,901 74.105,902 42.956,903 31.135,904 247.193,906 294.278,907 177.476,908 9.507,911 270.735,912 33.05,915 59.874,916 84.276,917 33.326,919 294.278,920 67.767,921 119.217,924 294.278,925 33.812,926 93.553,927 16.786,928 42.833,929 294.278,930 67.767,931 119.217,933 0.574,934 0.335,935 0.184,936 0.087,937 23,938 8,939 0.119,940 7,941 1,942 1.08,943 4.41,944 250.079,945 0.08,946 25,947 132.881,951 18.615,952 8.535,953 4.297,954 2.475,955 49.082,956 17.845,957 7.814,958 3.406,959 5.47,961 3.533,962 1.943,963 16.786,964 481.261,965 43,975 54.774,976 62.351,977 0.258,978 0.617,979 0.796,980 0.868,981 0.893,982 0.893,983 5.004,984 1.333,985 5.855,986 4.655,987 4.511,988 5.053,989 1.242,990 6.621,991 4.429,992 6.175,993 1.19,994 7.376,995 3.482,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.759,1001 7.456,1002 1.099,1003 8.995,1004 2.643,1005 6.057,1006 7.23,1007 0.883,1008 10.497,1009 5.896,1010 8.777,1011 1,1012 10.676,1013 2.46,1014 6.347,1015 7.852,1016 0.581,1017 12.167,1018 6.147,1019 10.137,1020 0.893,1021 12.399,1022 2.275,1023 7.877,1024 9.748,1025 0.68,1026 14.734,1027 7.651,1028 11.524,1029 0.618,1030 14.15,1031 2.093,1032 8.585,1033 10.834,1034 0.515,1035 16.772,1036 8.331,1037 12.932,1038 0.618,1039 15.922,1040 1.462,1041 9.858,1042 12.478,1043 0.541,1044 19.171,1045 9.581,1046 3.118,1047 0.602,1048 17.71,1049 1.372,1050 10.769,1051 13.785,1052 0.441,1053 21.37,1054 10.473,1055 2.754,1056 10.431,1057 19.511,1058 1.372,1059 11.937,1060 15.331,1061 0.438,1062 23.715,1063 11.621,1064 2.73,1065 8.884,1066 21.322,1067 4.518,1068 12.948,1069 16.741,1070 0.373,1071 25.986,1072 12.618,1073 2.484,1074 7.796,1075 23.142,1076 3.731,1077 14.075,1078 18.253,1079 0.358,1080 28.316,1081 13.728,1082 2.112,1083 6.961,1084 24.969,1085 3.49,1086 15.136,1087 19.71,1088 0.314,1089 30.62,1090 14.777,1091 2.007,1092 6.02,1093 26.803,1094 2.813,1095 16.25,1096 21.212,1097 0.296,1098 32.95,1099 15.877,1100 1.776,1101 5.87,1102 28.642,1103 2.634,1104 17.337,1105 22.693,1106 0.264,1107 35.27,1108 16.954,1109 12528,1110 19329,1111 23.345,1112 36.103,1113 49.517,1114 48.658,1115 48.582,1116 48.993,1117 48.962,1118 63.637,1119 3.778,1120 136.279,1121 46.968,1122 5.568,1123 5.197,1124 6.181,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1132 1.501,1133 1.474,1134 1.472,1135 1.485,1136 1.484,1137 1.928,1138 0.114,1139 4.13,1140 1.423,1141 4.153,1142 4.191,1143 4.113,1144 4.061,1145 5.136,1146 4.069,1147 3.941,1148 3.983,1149 3.869,1150 3.769,1151 5.072,1152 3.788,1153 3.832,1154 3.905,1155 3.789,1156 3.621,1157 4.926,1158 3.641,1159 3.783,1160 3.832,1161 3.68,1162 3.566,1163 4.367,1164 3.596,1165 3.514,1166 3.584,1167 3.371,1168 3.358,1169 4.255,1170 3.356,1171 3.285,1172 3.353,1173 3.178,1174 3.114,1175 3.977,1176 3.12,1177 3.111,1178 3.206,1179 2.945,1180 2.941,1181 3.761,1182 2.91,1183 3.098,1184 3.191,1185 2.866,1186 2.883,1187 3.621,1188 2.884,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.094,1194 4.568,1195 0.137,1196 3.197,1197 0.028,1198 6.566,1199 0.316,1200 4.099,1201 0.093,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.052,1210 2.058,1211 1.363,1212 2.058,1213 1.814,1214 1.745,1215 2.004,1216 2.029,1217 1.249,1218 2.026,1219 1.661,1220 1.606,1221 1.865,1222 1.838,1223 1.109,1224 1.85,1225 1.513,1226 1.468,1227 1.695,1228 1.693,1229 0.885,1230 1.683,1231 1.405,1232 1.341,1233 1.585,1234 1.635,1235 0.825,1236 1.625,1237 1.357,1238 1.317,1239 1.525,1240 1.586,1241 0.712,1242 1.575,1243 1.262,1244 1.206,1245 1.513,1246 1.483,1247 0.585,1248 1.488,1249 1.153,1250 1.064,1251 1.466,1252 1.442,1253 0.574,1254 1.429,1255 4.205,1257 5.509,1258 3.434,1259 6.991,1260 5.638,1261 8.556,1262 7.591,1263 10.169,1271 8.794,1276 5.053,1280 34.111,1281 82.146,1282 196.226,1283 253.146,1284 275.975,1285 283.975,1286 283.975,1287 31.801,1288 7.971,1289 66.12,1290 66.12,1291 27,1292 12.525,1293 4.392,1294 3.459,1295 39.997,1296 141,1297 126,1298 0.135,1299 206.178,1300 337.43,1301 494.834,1302 37948,1304 19.468,1305 0.671,1306 0.569,1307 19.468,1308 16.497,1309 14.348,1310 0.435,1311 0.311,1312 10.105,1313 13.698,1314 9.935,1315 8.176,1316 14.348,1317 10.271,1318 12.583,1319 0.28,1320 0.171,1321 12.583,1322 7.714,1323 10.964,1324 0.183,1325 0.097,1326 10.964,1327 5.813,1328 9.238,1329 0.118,1330 0.053,1331 9.238,1332 4.155,1333 6.66,1334 0.076,1335 0.032,1336 6.66,1337 2.789,1338 0.221,1339 90.253,1340 0.207,1341 28.381,1342 0.346,1343 156,1344 402.294,1345 170.728,1346 389.95,1347 548.53,1348 370,1349 183,1350 419.84,1351 199.561,1352 423.168,1353 613.48,1354 398,1355 9.35} {0 CHEMBL162858,1 1.411,2 14.133,3 2.511,4 6.306,5 121.394,6 7.045,7 0.618,8 4.148,9 4.29,10 3.692,11 3.661,12 5.158,13 3.637,14 4.709,15 4.914,16 4.009,17 4.08,18 5.61,19 4.027,20 4.947,21 5.185,22 3.957,23 4.237,24 5.724,25 4.116,26 5.057,27 5.328,28 3.87,29 4.246,30 5.768,31 4.084,32 5.052,33 5.351,34 3.812,35 4.161,36 5.738,37 3.998,38 4.907,39 5.182,40 3.782,41 4.076,42 5.64,43 3.934,44 4.876,45 5.162,46 3.715,47 3.987,48 5.631,49 3.845,50 4.754,51 5.043,52 3.519,53 3.862,54 5.493,55 3.712,56 0.068,57 0.931,58 12.701,59 4.736,60 11.305,61 6.948,62 0.273,63 1.492,64 24.052,65 7.665,66 20.041,67 11.669,68 0.264,69 1.72,70 31.191,71 11.311,72 22.259,73 16.822,74 0.225,75 1.781,76 35.753,77 13.278,78 26.094,79 19.896,80 0.348,81 1.705,82 36.788,83 12.566,84 30.542,85 19.233,86 0.252,87 1.548,88 31.031,89 10.721,90 23.39,91 16.351,92 0.306,93 1.481,94 30.564,95 9.799,96 27.884,97 15.258,98 0.332,99 1.301,100 27.207,101 8.418,102 25.996,103 13.136,105 46,106 0.229,107 0.575,108 0.745,109 0.805,110 0.827,111 0.827,112 3.44,113 0.939,114 -3.96,115 -3.92,116 -3.71,119 40.4,121 2,125 6,140 5,141 3,142 1,143 2,149 1,150 1,158 2,164 1,169 7,171 2,172 6,176 3,178 6,181 1,182 6,186 3,189 5,193 6,197 1,199 3,202 1,203 8,206 1,211 2,215 7,218 1,222 1,226 4,229 2,233 1,236 2,237 4,244 3,249 1,252 1,256 3,259 1518,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 24.198,267 12.752,268 21.609,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.28,275 28.599,276 6.123,277 17.682,278 4.422,279 2.288,280 1.243,281 0.877,282 0.737,283 0.737,284 4.156,288 1,289 1,290 956,291 2.828,294 156.712,295 299.286,298 132.918,302 2.209,303 11.644,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 424,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.06,327 6.095,328 3.691,329 2.754,330 3.731,331 0.8,332 8.884,333 2.59,334 3.941,335 2.884,336 5.616,337 3.668,338 2.724,339 3.457,340 0.172,341 7.788,342 2.576,343 3.608,344 2.754,345 5.332,346 3.427,347 2.473,348 2.813,350 6.951,351 2.346,352 3.43,353 2.344,354 5.129,355 3.061,356 2.109,357 2.638,359 6.017,360 2.019,361 3.251,362 2.178,363 4.953,364 2.961,365 2.007,366 2.588,368 5.851,369 1.892,370 3.172,371 1.795,372 4.514,373 2.73,374 1.776,375 2.243,377 4.655,378 1.69,379 2.828,380 1.524,381 4.133,382 2.371,383 1.429,384 1.933,386 3.482,387 1.346,388 2.74,389 1.365,390 3.598,391 2.298,392 1.321,393 1.843,395 3.046,396 1.286,397 2.5,398 1.159,399 3.464,400 2.083,401 1.12,402 1.5,404 2.526,405 1.076,406 2.426,407 1.146,408 3.414,409 1.984,410 1,411 1.4,413 2.275,414 0.983,415 2.256,416 1,417 3.316,418 1.967,419 1,420 1.196,422 2.136,423 0.965,424 2.118,425 0.933,426 3.247,427 1.86,428 0.895,429 1,431 2.097,432 0.861,433 2,434 0.674,435 3.176,436 1.562,437 0.618,438 0.927,440 1.469,441 0.578,442 1.986,443 0.618,444 3,445 1.518,446 0.605,447 0.823,449 1.372,450 0.556,451 14.3,452 0.477,453 0.496,454 0.017,455 38.75,456 1.292,457 18,458 0.6,459 20.75,460 0.692,461 24.804,462 0.827,463 31.9,464 0.56,465 25.738,466 0.858,467 7.652,468 0.255,469 7.197,470 0.24,473 0.259,479 0.893,480 1.504,481 0.82,482 1.167,483 0.607,484 1.015,485 1.366,486 1.031,487 1.03,488 0.905,489 0.864,490 0.923,491 0.963,492 1.015,493 1.1,494 1.104,495 0.762,496 1.116,497 0.678,498 1.079,499 0.996,500 1.16,501 0.654,502 1.124,503 0.748,504 0.849,505 0.879,506 0.911,507 0.768,508 0.911,509 0.819,510 1.043,511 0.959,512 1.057,513 0.777,514 1.03,515 0.947,516 1.014,517 0.971,518 1.003,519 0.938,520 0.992,521 1.187,522 0.848,523 1.112,524 0.939,525 1.318,526 1.003,527 4.5,528 0.095,529 2.667,530 1.069,531 0.997,532 0.597,533 0.483,534 0.242,535 0.139,536 0.124,537 15246,538 35078,539 2.228,540 47.4,541 2,542 17,543 1,544 4,545 1,547 2,550 1.72,551 2.195,552 3.767,553 -0.349,555 1,559 80.399,560 1.411,561 3.544,562 4.59,563 4.956,564 5.096,565 5.096,566 3.248,567 4.374,568 4.879,569 3.964,570 1724.35,571 8.465,572 25725.5,574 1,577 332.475,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.025,584 0.027,585 0.017,586 0.014,587 0.008,588 0.006,589 0.005,590 0.297,591 0.33,592 0.88,594 158.756,595 0.107,596 -0.271,597 0.094,598 -0.111,599 0.268,600 -0.027,601 -0.15,602 0.124,603 -0.063,604 0.072,605 0.011,606 0.025,607 -0.11,608 0.009,609 -0.15,610 -0.078,611 -0.032,612 -0.112,613 0.016,614 -0.157,615 -0.04,616 -0.125,617 0.062,618 -0.095,619 0.086,620 0.039,621 0.111,622 0.081,623 0.076,624 0.096,625 0.032,626 -0.104,627 0.016,628 -0.055,629 0.037,630 -0.027,631 0.045,632 -0.077,633 0.026,634 -0.038,635 0.018,636 -0.013,637 -0.104,638 0.106,639 -0.108,640 0.008,641 -0.247,642 -0.041,643 0.571,644 1.106,645 0.867,646 34.88,647 0.992,648 1.134,649 2.733,650 7.47,651 0.661,652 3.555,653 3.85,654 4.127,655 4.382,656 4.554,657 4.615,658 4.762,659 4.89,660 4.927,661 4.97,662 8.274,663 0.621,664 401.57,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.378,672 10.248,673 11.117,674 11.99,675 12.3,678 2,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 57,716 21,717 1,718 34,720 61,721 23,722 15,723 3,724 3,730 5,731 6,743 2,745 15,746 8,761 1,764 27,765 5,766 1,767 7,773 7,777 0.8,786 1,788 1,792 2,793 3,796 1,815 2,819 4,827 30,833 8,838 2,844 1,854 13.667,855 10.033,856 6.583,857 3.528,858 3.588,859 1.445,860 1.027,861 5.777,862 11.66,863 3.818,864 4.394,865 4.989,866 5.577,867 6.013,868 6.337,869 6.786,870 7.212,871 7.398,872 7.614,873 1,874 42,875 11.061,877 4.639,878 7.428,879 21.962,881 18.381,883 1.928,884 57.833,887 1,888 306.049,889 123.309,890 75.045,895 123.309,896 306.049,897 75.045,899 17.703,900 56.429,901 114.433,902 54.729,903 13.915,904 247.193,906 306.049,907 198.354,911 282.506,912 23.542,915 77.969,916 70.274,917 50.112,919 306.049,920 75.045,921 123.309,924 306.049,925 31.548,926 99.908,927 16.786,928 50.112,929 306.049,930 75.045,931 123.309,933 0.571,934 0.332,935 0.182,936 0.093,937 23,938 8,939 0.115,940 7,941 1,942 1.077,943 4.495,944 260.457,945 0.077,946 26,947 135.207,951 19.286,952 8.986,953 4.581,954 2.481,955 56.36,956 20.078,957 11.93,958 3.413,961 3.832,962 1.946,963 16.786,964 504.402,965 44.5,975 56.549,976 64.64,977 0.242,978 0.608,979 0.787,980 0.85,981 0.874,982 0.874,983 5.032,984 1.429,985 5.872,986 4.655,987 4.533,988 5.081,989 1.242,990 6.632,991 4.443,992 6.2,993 1.321,994 7.388,995 3.482,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.759,1001 7.478,1002 1.12,1003 9.004,1004 3.046,1005 6.071,1006 7.251,1007 0.883,1008 10.5,1009 5.901,1010 8.794,1011 1,1012 10.682,1013 2.526,1014 6.33,1015 7.822,1016 0.581,1017 12.163,1018 6.125,1019 10.149,1020 1,1021 12.402,1022 2.275,1023 7.884,1024 9.764,1025 0.68,1026 14.735,1027 7.648,1028 11.531,1029 0.895,1030 14.151,1031 2.136,1032 8.569,1033 10.807,1034 0.515,1035 16.77,1036 8.31,1037 12.935,1038 0.618,1039 15.922,1040 2.097,1041 9.86,1042 12.487,1043 0.541,1044 19.17,1045 9.574,1046 3.118,1047 0.605,1048 17.71,1049 1.469,1050 10.757,1051 13.766,1052 0.441,1053 21.369,1054 10.455,1055 2.754,1056 10.431,1057 19.51,1058 1.372,1059 11.935,1060 15.335,1061 0.438,1062 23.714,1063 11.611,1064 2.724,1065 8.884,1066 21.321,1067 4.518,1068 12.939,1069 16.729,1070 0.373,1071 25.985,1072 12.602,1073 2.473,1074 7.788,1075 23.141,1076 3.731,1077 14.072,1078 18.253,1079 0.358,1080 28.316,1081 13.717,1082 2.109,1083 6.951,1084 24.968,1085 3.457,1086 15.129,1087 19.703,1088 0.314,1089 30.62,1090 14.765,1091 2.007,1092 6.017,1093 26.802,1094 2.813,1095 16.246,1096 21.211,1097 0.296,1098 32.95,1099 15.867,1100 1.776,1101 5.851,1102 28.641,1103 2.638,1104 17.332,1105 22.689,1106 0.264,1107 35.27,1108 16.944,1109 13806,1110 21111,1111 24.038,1112 37.654,1113 50.69,1114 50.101,1115 50.24,1116 50.304,1117 50.305,1118 65.67,1119 3.778,1120 138.967,1121 48.043,1122 5.568,1123 5.197,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1132 1.491,1133 1.474,1134 1.478,1135 1.48,1136 1.48,1137 1.931,1138 0.111,1139 4.087,1140 1.413,1141 4.153,1142 4.192,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.929,1148 3.987,1149 3.849,1150 3.803,1151 4.929,1152 3.807,1153 3.832,1154 3.906,1155 3.789,1156 3.626,1157 4.897,1158 3.642,1159 3.778,1160 3.842,1161 3.676,1162 3.568,1163 4.376,1164 3.598,1165 3.516,1166 3.588,1167 3.373,1168 3.359,1169 4.256,1170 3.356,1171 3.287,1172 3.356,1173 3.183,1174 3.115,1175 4.013,1176 3.121,1177 3.122,1178 3.215,1179 2.977,1180 2.941,1181 3.844,1182 2.91,1183 3.111,1184 3.206,1185 2.866,1186 2.895,1187 3.689,1188 2.904,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.568,1195 0.133,1196 3.197,1197 0.027,1198 6.566,1199 0.307,1200 4.099,1201 0.09,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.057,1210 2.064,1211 1.366,1212 2.065,1213 1.881,1214 1.835,1215 2.024,1216 2.044,1217 1.255,1218 2.041,1219 1.765,1220 1.703,1221 1.94,1222 1.938,1223 1.121,1224 1.943,1225 1.632,1226 1.572,1227 1.837,1228 1.812,1229 1.028,1230 1.825,1231 1.405,1232 1.333,1233 1.581,1234 1.664,1235 0.825,1236 1.642,1237 1.313,1238 1.244,1239 1.513,1240 1.526,1241 0.727,1242 1.526,1243 1.153,1244 1.064,1245 1.485,1246 1.442,1247 0.581,1248 1.429,1249 1.078,1250 0.985,1251 1.367,1252 1.376,1253 0.53,1254 1.379,1255 4.234,1257 5.533,1258 3.045,1259 7.02,1260 5.283,1261 8.591,1262 7.286,1263 10.206,1271 9.015,1276 5.137,1280 35.418,1281 80.399,1282 202.036,1283 261.646,1284 282.475,1285 290.475,1286 290.475,1287 32.987,1288 8.072,1289 65.87,1290 65.87,1291 28,1292 12.532,1293 4.459,1294 3.524,1295 42.015,1296 152,1297 142,1298 0.132,1299 215.641,1300 354.3,1301 517.924,1302 43698,1304 20.175,1305 0.673,1306 0.57,1307 20.175,1308 17.114,1309 14.848,1310 0.437,1311 0.313,1312 10.483,1313 14.255,1314 10.287,1315 8.488,1316 14.848,1317 10.637,1318 12.936,1319 0.281,1320 0.174,1321 12.936,1322 7.99,1323 11.214,1324 0.184,1325 0.099,1326 11.214,1327 6.009,1328 9.414,1329 0.119,1330 0.054,1331 9.414,1332 4.278,1333 7.272,1334 0.077,1335 0.032,1336 7.272,1337 2.987,1338 0.217,1339 92.845,1340 0.204,1341 29.237,1342 0.337,1343 160,1344 392.204,1345 172.572,1346 388.177,1347 546.43,1348 368,1349 187,1350 415.589,1351 201.516,1352 423.702,1353 612.28,1354 398,1355 9.111} {0 CHEMBL1628626,1 1.495,2 11.037,3 4.439,4 19.702,5 110.774,6 7.218,7 0.533,8 4.051,9 4.163,10 3.749,11 3.681,12 4.984,13 3.601,14 4.64,15 4.809,16 4.039,17 4.103,18 5.716,19 4.006,20 4.924,21 5.137,22 4.025,23 4.241,24 5.869,25 4.092,26 4.994,27 5.234,28 3.919,29 4.196,30 5.943,31 4.026,32 4.914,33 5.182,34 3.871,35 4.091,36 5.823,37 3.933,38 4.766,39 4.981,40 3.825,41 4.043,42 5.745,43 3.909,44 4.781,45 5.034,46 3.759,47 4.007,48 5.647,49 3.843,50 4.682,51 4.938,52 3.648,53 3.897,54 5.609,55 3.734,56 0.087,57 0.763,58 14.596,59 5.783,60 13.509,61 7.221,62 0.244,63 1.301,64 25.194,65 9.834,66 44.277,67 12.697,68 0.25,69 1.624,70 35.723,71 13.54,72 44.2,73 17.294,74 0.312,75 1.65,76 37.647,77 14.158,78 60.991,79 18.385,80 0.289,81 1.521,82 35.951,83 13.228,84 52.222,85 17.39,86 0.243,87 1.37,88 28.285,89 10.631,90 42.316,91 14.074,92 0.24,93 1.384,94 29.508,95 10.777,96 32.919,97 14.808,98 0.271,99 1.225,100 28.931,101 10.713,102 36.965,103 14.092,104 10,105 43,106 0.247,107 0.559,108 0.768,109 0.856,110 0.864,111 0.864,112 3.34,113 1.125,114 -4.44,115 -4.37,116 -4.12,119 41.5,121 4,124 1,125 2,127 1,140 8,141 3,142 1,149 1,150 1,169 12,171 1,172 3,176 3,178 13,182 7,186 3,189 11,193 7,197 1,199 8,203 7,206 1,208 2,211 8,215 6,220 1,222 10,226 4,233 13,237 2,240 2,244 10,254 2,256 6,259 1093,260 18.179,261 18.179,262 18.179,263 18.179,264 18.179,265 16.035,266 16.006,267 10.616,268 18.635,269 14.805,270 14.805,271 14.805,272 14.805,273 14.805,274 11.504,275 15.614,276 5.036,277 15.543,278 4.232,279 2.35,280 1.085,281 0.557,282 0.505,283 0.505,284 4.034,288 1,289 1,290 652,291 3.536,294 137.739,295 166.22,298 113.327,302 1.674,303 25.933,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57,315 298,316 4.843,317 5.246,318 7.293,319 4.236,320 3.374,321 4.695,322 2.95,323 12.405,324 3.071,325 4.554,326 3.232,327 6.561,328 4.097,329 3.112,330 4.504,331 0.8,332 10.422,333 2.87,334 3.844,335 3.011,336 6.038,337 3.744,338 2.794,339 3.143,341 8.629,342 2.655,343 3.677,344 2.853,345 5.318,346 3.341,347 2.349,348 3.044,350 6.84,351 2.327,352 3.547,353 2.51,354 5.088,355 3.009,356 2.028,357 2.849,359 5.865,360 1.978,361 3.301,362 2.085,363 4.9,364 2.892,365 1.915,366 2.587,368 5.343,369 1.869,370 2.735,371 1.719,372 4.222,373 2.32,374 1.347,375 1.835,377 3.702,378 1.309,379 2.701,380 1.456,381 3.976,382 2.207,383 1.237,384 1.775,386 3.153,387 1.192,388 2.5,389 1.264,390 3.679,391 2.144,392 1.179,393 1.5,395 2.796,396 1.135,397 2.362,398 1.16,399 3.418,400 2.08,401 1.101,402 1.343,404 2.389,405 1.076,406 2.159,407 1,408 3.316,409 2,410 1,411 1.13,413 2.136,414 1,415 2.085,416 0.891,417 3.247,418 1.773,419 0.793,420 1.013,422 1.881,423 0.775,424 1.8,425 0.738,426 3.203,427 1.496,428 0.526,429 0.647,431 1.283,432 0.508,433 1.056,434 0.338,435 2.766,436 0.836,437 -0.143,438 -0.161,440 -0.371,441 -0.139,442 1,443 -0.036,444 2.665,445 0.428,446 -0.532,447 -0.623,449 -1.314,450 -0.502,451 13.3,452 0.493,453 0.731,454 0.027,455 33.75,456 1.25,457 17,458 0.63,459 16.75,460 0.62,461 23.613,462 0.875,463 29.3,464 0.553,465 23.824,466 0.882,467 6.157,468 0.228,469 6.87,470 0.254,471 0.088,472 0.063,473 0.256,479 0.52,480 1.242,481 0.888,482 1.159,483 0.621,484 0.989,485 0.795,486 1.084,487 1.007,488 1.026,489 0.553,490 0.983,491 1.044,492 1.084,493 1.163,494 1.134,495 0.939,496 1.095,497 1.183,498 1.036,499 1.027,500 1.029,501 1.243,502 1.069,503 0.874,504 0.861,505 0.847,506 0.87,507 0.879,508 0.822,509 1.233,510 1.109,511 1.008,512 1.011,513 1.171,514 1.088,515 0.876,516 0.956,517 0.873,518 0.913,519 0.744,520 0.995,521 0.598,522 0.947,523 0.99,524 1.036,525 0.618,526 0.945,527 6,528 0.148,529 3.778,530 1.861,531 1.132,532 0.889,533 0.453,534 0.405,535 0.298,536 0.155,537 9480,538 21363,539 2.11,540 49.1,542 16,543 1,545 1,547 8,550 1.699,551 1.988,552 3.429,553 -0.382,555 1,559 79.261,560 1.495,561 3.378,562 4.643,563 5.171,564 5.223,565 5.223,566 2.883,567 4.533,568 4.728,569 3.621,570 1270.94,571 8.197,572 16542.1,574 1,576 1,577 303.58,578 1.481,579 4.685,580 0.2,581 0.008,582 0.088,583 0.047,584 0.033,585 0.025,586 0.014,587 0.014,588 0.011,589 0.008,590 0.447,591 0.17,592 1,593 0.528,594 134.695,595 0.129,596 -0.061,597 0.213,598 -0.002,599 -0.111,600 0.048,601 0.11,602 0.029,603 -0.003,604 0.008,605 0.22,606 0.007,607 -0.093,608 -0.058,609 -0.119,610 -0.095,611 -0.004,612 -0.102,613 -0.096,614 -0.082,615 -0.066,616 -0.061,617 -0.066,618 -0.092,619 0.061,620 0.08,621 0.138,622 0.105,623 0.071,624 0.165,625 -0.143,626 -0.097,627 -0.115,628 -0.083,629 -0.091,630 -0.129,631 -0.048,632 0.036,633 0.019,634 0.008,635 -0.029,636 -0.025,637 0.205,638 0.024,639 0.038,640 -0.02,641 0.148,642 0.056,643 4.166,644 5.541,645 0.741,646 24.979,647 0.991,648 1.119,649 3.213,650 10.323,651 0.674,652 3.434,653 3.784,654 4.043,655 4.263,656 4.419,657 4.466,658 4.625,659 4.762,660 4.796,661 4.875,662 6.668,663 0.622,664 382.57,665 3.434,666 4.99,667 5.844,668 6.727,669 7.597,670 8.483,671 9.359,672 10.246,673 11.125,674 12.013,675 3.8,678 1,683 1,687 2,688 9,690 1,693 3,695 16,714 53,716 18,717 2,718 30,720 56,721 22,722 14,723 4,724 8,730 4,731 5,740 3,743 5,745 14,746 8,750 2,753 1,755 2,761 1,764 26,765 3,766 1,767 5,768 1,773 2,777 0.75,778 2,788 1,789 1,792 2,793 2,796 1,815 1,819 3,821 1,823 1,827 27,829 1,833 6,837 1,838 1,847 3.8,850 2,854 13.583,855 9.533,856 5.792,857 3.29,858 2.946,859 1.392,860 1.015,861 5.182,862 10.467,863 3.714,864 4.353,865 4.893,866 5.442,867 5.928,868 6.174,869 6.577,870 6.908,871 6.999,872 7.272,873 1,874 40,875 10.237,877 4.611,878 7.651,879 19.849,881 17.291,883 2.151,884 58.083,886 1,887 1,888 294.278,889 125.082,890 19.91,892 44.313,894 6.046,895 119.036,896 338.591,897 19.91,898 8.396,899 13.144,900 90.903,901 44.313,902 30.405,903 13.915,904 282.506,906 294.278,907 138.946,908 44.313,909 6.046,911 200.109,912 138.482,915 33.053,916 105.893,917 6.046,919 294.278,920 64.223,921 125.082,923 6.046,924 294.278,925 25.783,926 96.378,927 16.786,928 44.313,929 294.278,930 64.223,931 125.082,933 0.591,934 0.344,935 0.175,936 0.088,937 22,938 9,939 0.107,940 6,941 1,942 1.1,943 3.948,944 230.988,945 0.1,946 20,947 122.382,950 1,951 18.429,952 7.592,953 4.008,954 2.352,955 47.437,956 17.088,958 3.366,961 2.803,963 16.786,964 483.583,965 40,968 -3.249,970 25.081,975 52.538,976 59.318,977 0.261,978 0.59,979 0.811,980 0.903,981 0.912,982 0.912,983 4.963,984 1.237,985 5.861,986 3.702,987 4.466,988 5.04,989 2.963,990 6.711,991 4.37,992 6.196,993 1.179,994 7.453,995 3.153,996 4.205,997 5.112,998 0.325,999 7.908,1000 3.964,1001 7.547,1002 1.101,1003 9.161,1004 2.796,1005 6.146,1006 7.378,1007 5.03,1008 10.932,1009 5.911,1010 8.944,1011 1,1012 10.941,1013 2.389,1014 6.735,1015 8.313,1016 0.268,1017 12.971,1018 6.33,1019 10.382,1020 0.793,1021 12.769,1022 2.136,1023 8.173,1024 10.103,1025 7.185,1026 15.59,1027 7.758,1028 11.847,1029 0.526,1030 14.63,1031 1.881,1032 9.112,1033 11.39,1034 0.188,1035 17.922,1036 8.538,1037 13.334,1038 -0.143,1039 16.516,1040 1.283,1041 10.377,1042 13.016,1043 9.348,1044 20.441,1045 9.763,1046 3.374,1047 -0.532,1048 18.419,1049 -0.371,1050 11.46,1051 14.448,1052 0.125,1053 22.876,1054 10.709,1055 3.112,1056 12.405,1057 20.337,1058 -1.314,1059 12.668,1060 16.015,1061 11.511,1062 25.375,1063 11.851,1064 2.794,1065 10.422,1066 22.265,1067 4.695,1068 13.812,1069 17.505,1070 0.082,1071 27.85,1072 12.875,1073 2.349,1074 8.629,1075 24.202,1076 4.504,1077 15.004,1078 19.05,1079 13.675,1080 30.348,1081 13.986,1082 2.028,1083 6.84,1084 26.146,1085 3.143,1086 16.175,1087 20.565,1088 0.054,1089 32.842,1090 15.047,1091 1.915,1092 5.865,1093 28.095,1094 3.044,1095 17.365,1096 22.102,1097 15.838,1098 35.344,1099 16.148,1100 1.347,1101 5.343,1102 30.05,1103 2.849,1104 18.549,1105 23.627,1106 0.035,1107 37.846,1108 17.229,1109 8929,1110 13587,1111 20.167,1112 35.705,1113 45.549,1114 47.109,1115 45.986,1116 45.634,1117 45.507,1118 60.132,1119 7.5,1120 133.686,1121 43.53,1122 5.777,1123 7.246,1124 7.095,1125 5.328,1126 5.374,1127 7.695,1128 5.9,1129 19.565,1130 5.071,1131 11.458,1132 1.518,1133 1.57,1134 1.533,1135 1.521,1136 1.517,1137 2.004,1138 0.25,1139 4.456,1140 1.451,1141 4.162,1142 4.187,1143 4.742,1144 4.131,1145 7.714,1146 4.085,1147 4.056,1148 4.036,1149 4.092,1150 4.03,1151 6.999,1152 3.972,1153 3.853,1154 3.919,1155 3.735,1156 3.708,1157 4.959,1158 3.705,1159 3.678,1160 3.701,1161 3.675,1162 3.608,1163 4.715,1164 3.563,1165 3.457,1166 3.478,1167 3.407,1168 3.361,1169 4.381,1170 3.336,1171 3.158,1172 3.25,1173 3.009,1174 3.012,1175 4.283,1176 2.994,1177 3.136,1178 3.227,1179 2.874,1180 2.899,1181 3.819,1182 2.877,1183 2.95,1184 3.025,1185 2.762,1186 2.783,1187 3.702,1188 2.76,1189 0.161,1190 0.175,1191 0.243,1192 0.141,1193 0.112,1194 4.843,1195 0.156,1196 5.246,1197 0.098,1198 7.293,1199 0.414,1200 4.236,1201 0.102,1202 3.374,1203 4.695,1204 2.95,1205 12.405,1206 3.071,1207 2.009,1208 2.015,1209 2.069,1210 2.068,1211 1.369,1212 2.106,1213 1.934,1214 1.921,1215 1.996,1216 1.996,1217 1.3,1218 2.018,1219 1.707,1220 1.656,1221 1.906,1222 1.878,1223 1.163,1224 1.887,1225 1.586,1226 1.578,1227 1.826,1228 1.767,1229 1.096,1230 1.795,1231 1.556,1232 1.48,1233 1.678,1234 1.722,1235 0.941,1236 1.759,1237 1.408,1238 1.337,1239 1.622,1240 1.618,1241 0.748,1242 1.633,1243 1.171,1244 1.144,1245 1.383,1246 1.349,1247 0.519,1248 1.388,1249 0.959,1250 0.856,1251 1.204,1252 1.207,1253 0.482,1254 1.259,1255 4.111,1257 5.451,1258 3.045,1259 6.974,1260 5.352,1261 8.576,1262 7.38,1263 10.221,1265 2.201,1271 5.4,1275 0.603,1276 2.44,1280 32.981,1281 79.261,1282 179.05,1283 246.07,1284 274.07,1285 276.825,1286 276.825,1287 49.313,1288 7.521,1289 53.17,1290 61.55,1291 22,1292 12.545,1293 4.248,1294 3.459,1295 40.302,1296 109,1297 99,1298 0.18,1299 204.449,1300 346.63,1301 490.615,1302 19767,1304 18.855,1305 0.698,1306 0.611,1307 19.105,1308 16.505,1309 13.027,1310 0.434,1311 0.375,1312 9.663,1313 11.939,1314 9.257,1315 7.651,1316 13.848,1317 11.25,1318 12.207,1319 0.284,1320 0.225,1321 13.53,1322 9.666,1323 10.222,1324 0.183,1325 0.133,1326 11.314,1327 7.453,1328 8.117,1329 0.116,1330 0.076,1331 9,1332 5.351,1333 6.235,1334 0.076,1335 0.044,1336 7.044,1337 3.629,1338 0.286,1339 88.486,1340 0.223,1341 26.085,1342 0.488,1343 146,1344 356.309,1345 190.102,1346 372.099,1347 508.69,1348 344,1349 172,1350 349.152,1351 222.333,1352 391.502,1353 566.9,1354 367,1355 9.046} {0 CHEMBL1628631,1 1.464,2 13.065,3 3.572,4 12.758,5 124.275,6 7.061,7 0.529,8 4.16,9 4.286,10 3.69,11 3.692,12 5.225,13 3.664,14 4.7,15 4.894,16 4.02,17 4.074,18 5.691,19 4.03,20 4.917,21 5.112,22 4.114,23 4.271,24 5.901,25 4.191,26 5.06,27 5.286,28 4.068,29 4.309,30 6.003,31 4.193,32 5.096,33 5.343,34 4.033,35 4.268,36 6.035,37 4.153,38 5.015,39 5.257,40 3.917,41 4.168,42 5.959,43 4.047,44 4.926,45 5.198,46 3.83,47 4.039,48 5.865,49 3.918,50 4.795,51 5.039,52 3.756,53 3.913,54 5.829,55 3.826,56 0.033,57 0.861,58 12.769,59 5.311,60 9.782,61 7.276,62 0.283,63 1.381,64 24.059,65 8.297,66 25.523,67 11.804,68 0.298,69 1.674,70 29.709,71 11.275,72 30.802,73 15.751,74 0.257,75 1.8,76 35.29,77 13.817,78 41.668,79 19.297,80 0.404,81 1.809,82 37.814,83 13.511,84 52.067,85 19.176,86 0.464,87 1.676,88 34.972,89 12.059,90 51.652,91 17.188,92 0.398,93 1.527,94 32.371,95 10.975,96 48.358,97 16.152,98 0.35,99 1.297,100 28.545,101 9.358,102 51.952,103 13.059,104 18,105 47,106 0.237,107 0.559,108 0.749,109 0.832,110 0.837,111 0.837,112 3.472,113 0.925,114 -3.84,115 -3.8,116 -3.61,119 42.4,120 1,124 2,125 4,140 8,141 4,142 3,143 2,156 1,169 11,172 5,174 1,176 3,178 14,181 2,182 6,186 3,189 13,193 6,195 1,197 2,199 10,203 6,206 1,208 2,211 7,214 2,215 6,220 1,222 6,225 1,226 7,229 1,231 2,233 6,237 4,244 4,248 2,249 5,252 1,256 5,259 1609,260 21.093,261 21.093,262 21.093,263 21.093,264 21.093,265 18.837,266 24.596,267 12.422,268 21.596,269 16.708,270 16.708,271 16.708,272 16.708,273 16.708,274 13.253,275 35.582,276 5.818,277 17.38,278 4.419,279 2.432,280 1.259,281 0.75,282 0.716,283 0.716,284 4.168,288 1,289 1,290 877,291 3.082,295 444.311,302 1.942,303 20.76,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 405,316 4.417,317 3.579,318 6.521,319 4.052,320 3.068,321 4.096,322 1.058,323 10.27,324 3.047,325 4.348,326 3.299,327 6.473,328 3.997,329 3.032,330 3.961,331 0.86,332 10.031,333 2.898,334 4.045,335 3.039,336 6.03,337 3.717,338 2.722,339 3.513,340 0.8,341 8.628,342 2.705,343 3.653,344 2.779,345 5.357,346 3.401,347 2.462,348 3.023,349 0.8,350 6.905,351 2.31,352 3.52,353 2.416,354 5.222,355 3.198,356 2.24,357 2.815,359 6.438,360 2.14,361 3.411,362 2.398,363 5.04,364 3.034,365 2.052,366 2.531,368 5.71,369 2.007,370 3.101,371 2.289,372 4.923,373 2.871,374 1.959,375 2.181,377 5.598,378 1.78,379 2.931,380 1.813,381 4.106,382 2.468,383 1.503,384 2.096,386 3.546,387 1.448,388 2.806,389 1.575,390 4.013,391 2.322,392 1.316,393 1.882,395 3.349,396 1.314,397 2.526,398 1.335,399 3.954,400 2.109,401 1.137,402 1.506,404 3.037,405 1.103,406 2.5,407 1.146,408 3.497,409 2.005,410 1.025,411 1.5,413 2.567,414 1,415 2.468,416 1.101,417 3.414,418 1.984,419 1,420 1.459,422 2.275,423 0.983,424 2,425 1.093,426 3.247,427 1.967,428 1,429 1,431 2.136,432 0.965,433 1.796,434 1,435 3.026,436 1.512,437 0.625,438 0.706,440 1.104,441 0.548,442 1.242,443 0.522,444 2.782,445 0.917,446 -0.058,447 -0.072,449 -0.131,450 -0.056,451 14.767,452 0.476,453 0.712,454 0.023,455 41.25,456 1.331,457 21,458 0.677,459 20.25,460 0.653,461 25.675,462 0.828,463 33.233,464 0.563,465 32.328,466 1.043,467 8.406,468 0.271,469 6.64,470 0.214,471 0.124,473 0.325,479 0.818,480 1.423,481 0.828,482 1.152,483 0.613,484 1.013,485 1.192,486 0.958,487 0.915,488 0.795,489 0.651,490 0.802,491 0.973,492 1.037,493 1.055,494 1.062,495 0.84,496 1.061,497 0.889,498 1.108,499 1,500 1.152,501 0.989,502 1.107,503 1.118,504 0.976,505 0.986,506 0.979,507 1.17,508 0.972,509 1.235,510 1.044,511 1.106,512 1.029,513 1.361,514 1.054,515 0.82,516 0.916,517 0.877,518 0.918,519 0.871,520 0.896,521 1.68,522 0.897,523 1.014,524 0.86,525 2.112,526 0.86,527 6,528 0.169,529 3.778,530 2.063,531 1.8,532 1,533 0.847,534 0.589,535 0.3,536 0.204,537 13718,538 32214,539 2.084,540 47.5,541 3,542 22,544 2,545 1,550 1.735,551 1.958,552 3.656,553 -0.393,555 1,559 86.374,560 1.464,561 3.451,562 4.624,563 5.132,564 5.166,565 5.166,566 3.112,567 4.567,568 4.926,569 3.814,570 1773.53,571 8.594,572 25696.6,574 1,577 347.076,578 1.383,579 4.888,580 0.176,581 0.006,582 0.08,583 0.041,584 0.039,585 0.023,586 0.022,587 0.017,588 0.009,589 0.007,590 0.421,591 0.5,592 1,593 0.701,594 162.517,595 -0.002,596 -0.234,597 0.067,598 -0.091,599 -0.016,600 -0.019,601 -0.09,602 0.174,603 0.054,604 0.182,605 0.05,606 0.148,607 -0.035,608 0.051,609 -0.109,610 -0.054,611 0.007,612 -0.082,613 0.002,614 -0.129,615 -0.043,616 -0.131,617 0.015,618 -0.1,619 -0.032,620 -0.016,621 0.009,622 0.006,623 -0.03,624 0.011,625 -0.044,626 -0.068,627 -0.103,628 -0.06,629 -0.118,630 -0.088,631 0.147,632 0.048,633 0.124,634 0.037,635 0.161,636 0.078,637 -0.174,638 0.053,639 0.028,640 0.093,641 -0.105,642 0.089,643 1.793,644 5.927,645 0.774,646 33.255,647 0.994,648 1.125,649 2.611,650 6.817,651 0.662,652 3.555,653 3.871,654 4.143,655 4.382,656 4.625,657 4.644,658 4.771,659 4.828,660 4.852,661 4.92,662 7.496,663 0.624,664 416.57,665 3.555,666 5.094,667 5.943,668 6.815,669 7.679,670 8.555,671 9.425,672 10.302,673 11.175,674 12.052,675 6.8,678 1,681 1,682 1,685 1,688 10,689 1,693 7,695 18,702 1,709 1,712 1,714 59,716 19,717 2,718 34,720 62,721 25,722 17,723 6,724 6,725 1,730 4,731 4,736 1,745 18,746 7,750 1,755 1,759 1,761 1,764 28,765 6,766 1,767 6,773 4,777 1,778 2,786 1,793 4,815 1,819 4,823 3,827 31,833 4,834 1,835 1,838 2,847 3.4,850 1,852 1,854 15.833,855 11.517,856 6.889,857 3.436,858 3.185,859 1.414,860 0.985,861 6.546,862 10.882,863 3.807,864 4.376,865 4.936,866 5.478,867 6.017,868 6.195,869 6.586,870 6.845,871 7.125,872 7.45,873 0.889,874 50,875 11.456,877 4.766,878 7.608,879 22.192,881 17.996,883 2.108,884 65.333,887 1,888 317.82,889 158.636,890 41.045,892 36.145,895 158.636,896 353.965,897 41.045,898 28.105,899 26.434,900 75.81,901 70.177,902 58.843,904 294.278,906 317.82,907 199.681,908 36.145,911 317.82,912 36.145,915 56.478,916 126.418,917 16.786,919 317.82,920 77.19,921 158.636,924 317.82,925 36.627,926 128.258,927 18.011,928 52.93,929 317.82,930 77.19,931 158.636,933 0.579,934 0.344,935 0.185,936 0.104,937 22,938 10,939 0.081,940 5,942 1,943 4.242,944 276.714,946 24,947 145.58,951 21.353,952 9.503,953 4.895,955 77.19,956 19.074,957 4.071,961 6.458,963 18.011,964 553.646,965 44,970 12.927,974 -0.126,975 58.665,976 66.394,977 0.249,978 0.587,979 0.786,980 0.872,981 0.878,982 0.878,983 5.04,984 1.503,985 5.922,986 5.598,987 4.554,988 5.063,989 1.893,990 6.72,991 4.486,992 6.23,993 1.316,994 7.475,995 3.546,996 4.111,997 4.783,998 0.57,999 7.6,1000 4.022,1001 7.525,1002 1.137,1003 9.127,1004 3.349,1005 6.138,1006 7.2,1007 1.709,1008 10.688,1009 6.017,1010 8.853,1011 1.025,1012 10.838,1013 3.037,1014 6.509,1015 7.729,1016 0.479,1017 12.393,1018 6.373,1019 10.213,1020 1,1021 12.586,1022 2.567,1023 7.996,1024 9.626,1025 1.641,1026 14.989,1027 7.834,1028 11.596,1029 1,1030 14.361,1031 2.275,1032 8.746,1033 10.547,1034 0.346,1035 17.037,1036 8.572,1037 12.996,1038 0.625,1039 16.154,1040 2.136,1041 10.009,1042 12.205,1043 1.626,1044 19.457,1045 9.812,1046 3.068,1047 -0.058,1048 17.962,1049 1.104,1050 10.943,1051 13.334,1052 0.237,1053 21.654,1054 10.733,1055 3.032,1056 10.27,1057 19.78,1058 -0.131,1059 12.11,1060 14.87,1061 1.645,1062 24.008,1063 11.88,1064 2.722,1065 10.031,1066 21.607,1067 4.096,1068 13.134,1069 16.114,1070 0.158,1071 26.269,1072 12.889,1073 2.462,1074 8.628,1075 23.441,1076 3.961,1077 14.262,1078 17.585,1079 1.689,1080 28.598,1081 13.998,1082 2.24,1083 6.905,1084 25.28,1085 3.513,1086 15.329,1087 18.894,1088 0.104,1089 30.888,1090 15.049,1091 2.052,1092 6.438,1093 27.124,1094 3.023,1095 16.442,1096 20.329,1097 1.749,1098 33.208,1099 16.145,1100 1.959,1101 5.71,1102 28.972,1103 2.815,1104 17.53,1105 21.675,1106 0.068,1107 35.512,1108 17.217,1109 13008,1110 20083,1111 22.77,1112 39.069,1113 50.81,1114 51.708,1115 52.267,1116 50.26,1117 50.28,1118 64.537,1119 7.037,1120 143.187,1121 48.494,1122 5.417,1123 5.579,1124 6.323,1125 5.119,1126 5.068,1127 7.096,1128 2.117,1129 17.057,1130 5.047,1131 14.76,1132 1.494,1133 1.521,1134 1.537,1135 1.478,1136 1.479,1137 1.898,1138 0.207,1139 4.211,1140 1.426,1141 4.04,1142 4.069,1143 3.992,1144 3.972,1145 7.429,1146 3.973,1147 3.949,1148 3.985,1149 3.896,1150 3.851,1151 4.929,1152 3.858,1153 3.768,1154 3.824,1155 3.696,1156 3.644,1157 4.859,1158 3.65,1159 3.721,1160 3.768,1161 3.618,1162 3.555,1163 4.639,1164 3.561,1165 3.375,1166 3.42,1167 3.302,1168 3.154,1169 4.416,1170 3.179,1171 3.22,1172 3.304,1173 3.042,1174 2.989,1175 4.347,1176 2.986,1177 3.187,1178 3.275,1179 3.011,1180 2.941,1181 3.906,1182 2.94,1183 3.111,1184 3.206,1185 2.906,1186 2.94,1187 3.874,1188 2.91,1189 0.13,1190 0.105,1191 0.192,1192 0.119,1193 0.09,1194 4.417,1195 0.12,1196 3.579,1197 0.031,1198 6.521,1199 0.302,1200 4.052,1201 0.09,1202 3.068,1203 4.096,1204 1.058,1205 10.27,1206 3.047,1207 1.995,1208 1.975,1209 2.083,1210 2.083,1211 1.305,1212 2.082,1213 1.912,1214 1.882,1215 2.031,1216 2.05,1217 1.22,1218 2.051,1219 1.73,1220 1.689,1221 1.903,1222 1.913,1223 1.051,1224 1.913,1225 1.696,1226 1.633,1227 1.843,1228 1.842,1229 0.878,1230 1.845,1231 1.291,1232 1.242,1233 1.58,1234 1.566,1235 0.825,1236 1.562,1237 1.193,1238 1.118,1239 1.552,1240 1.479,1241 0.642,1242 1.503,1243 1.173,1244 1.07,1245 1.537,1246 1.436,1247 0.62,1248 1.474,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.574,1254 1.429,1255 4.234,1257 5.549,1259 7.067,1261 8.673,1263 10.322,1265 5.832,1271 3.867,1272 3.043,1273 5.569,1276 4.62,1280 36.837,1281 86.374,1282 203.615,1283 272.811,1284 302.811,1285 304.811,1286 304.811,1287 48.37,1288 7.697,1289 57.7,1290 57.7,1291 24,1292 12.591,1293 4.322,1294 3.459,1295 49.576,1296 141,1297 135,1298 0.171,1299 226.901,1300 394.1,1301 545.399,1302 24454,1304 21.794,1305 0.703,1306 0.589,1307 21.794,1308 18.26,1309 15.046,1310 0.443,1311 0.308,1312 10.334,1313 14.472,1314 9.974,1315 8.327,1316 15.046,1317 10.489,1318 13.357,1319 0.284,1320 0.168,1321 13.357,1322 7.897,1323 11.389,1324 0.184,1325 0.093,1326 11.389,1327 5.761,1328 9.33,1329 0.118,1330 0.05,1331 9.33,1332 3.926,1333 7.731,1334 0.077,1335 0.027,1336 7.731,1337 2.761,1338 0.272,1339 94.149,1340 0.21,1341 29.388,1342 0.456,1343 162,1344 436.739,1345 174.697,1346 424.681,1347 585.67,1348 400,1349 190,1350 430.125,1351 203.587,1352 442.247,1353 641.14,1354 413,1355 8.553} {0 CHEMBL1628680,1 1.643,2 8.55,3 1.631,4 2.66,5 82.331,6 7.206,7 0.476,8 3.789,9 3.915,10 3.517,11 3.319,12 4.755,13 3.248,14 4.359,15 4.56,16 3.718,17 3.7,18 5.552,19 3.614,20 4.541,21 4.735,22 3.662,23 3.842,24 5.587,25 3.708,26 4.686,27 4.946,28 3.582,29 3.82,30 5.641,31 3.652,32 4.552,33 4.822,34 3.522,35 3.675,36 5.492,37 3.526,38 4.36,39 4.572,40 3.524,41 3.61,42 5.364,43 3.472,44 4.46,45 4.729,46 3.353,47 3.524,48 5.452,49 3.352,50 4.295,51 4.572,52 2.957,53 3.264,54 5.249,55 3.083,56 0.082,57 0.631,58 12.657,59 3.981,60 14.361,61 5.329,62 0.378,63 0.961,64 21.24,65 6.58,66 52.533,67 8.878,68 0.205,69 1.088,70 24.515,71 8.726,72 39.636,73 11.348,74 0.265,75 1.122,76 28.597,77 9.489,78 52.362,79 12.938,80 0.258,81 0.985,82 24.73,83 7.965,84 37.943,85 11.036,86 0.128,87 0.908,88 19.507,89 6.559,90 21.392,91 9.185,92 0.298,93 0.891,94 24.592,95 7.257,96 36.544,97 9.963,98 0.318,99 0.691,100 20.797,101 5.424,102 46.877,103 7.72,104 38,105 30,106 0.293,107 0.598,108 0.766,109 0.823,110 0.823,111 0.823,112 3.057,113 1.173,114 -2.12,115 -2.17,116 -2.15,119 34.1,121 1,124 3,125 2,140 3,141 3,149 1,150 1,169 6,171 1,172 1,174 2,176 3,178 6,182 3,186 4,189 5,193 5,197 3,199 3,203 5,206 1,208 2,211 1,215 4,220 1,226 3,229 2,230 1,231 1,248 2,252 1,259 498,260 12.886,261 12.886,262 12.886,263 12.886,264 12.886,265 11.419,266 12.673,267 7.402,268 13.177,269 10.275,270 10.275,271 10.275,272 10.275,273 10.275,274 7.882,275 12.935,276 3.454,277 10.754,278 3.715,279 2.003,280 1.056,281 0.738,282 0.738,283 0.738,284 3.709,287 1,288 1,289 1,290 344,291 3.873,294 45.631,295 51.544,298 81.501,302 1.405,303 20.375,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 43.5,315 171,316 4.7,317 4.502,318 6.731,319 4.158,320 3.221,321 4.535,322 1.416,323 10.966,324 3.067,325 4.537,326 3.163,327 6.541,328 4.041,329 3.066,330 4.448,331 0.8,332 10.335,333 2.914,334 3.65,335 2.599,336 5.264,337 3.284,338 2.307,339 3.072,341 6.649,342 2.268,343 3.366,344 2.413,345 5.095,346 3.109,347 2.166,348 2.672,350 5.96,351 2.034,352 3.145,353 2.047,354 4.624,355 2.843,356 1.876,357 2.182,359 5.024,360 1.806,361 2.717,362 1.324,363 4.133,364 2.241,365 1.262,366 1.811,368 3.445,369 1.234,370 2.223,371 1.177,372 3.462,373 1.805,374 0.848,375 1.123,377 1.938,378 0.809,379 1.613,380 0.904,381 3.261,382 1.416,383 0.479,384 0.519,386 0.979,387 0.443,388 1.543,389 0.505,390 2.882,391 1.33,392 0.379,393 0.434,395 0.602,396 0.361,397 1.181,398 0.349,399 2.746,400 0.82,401 -0.136,402 -0.17,404 -0.365,405 -0.128,406 1,407 -0.215,408 2.325,409 0.201,410 -0.746,411 -0.886,413 -2,414 -0.686,415 0.632,416 -0.6,417 2,418 0.122,419 -0.855,420 -1,422 -2.103,423 -0.839,424 0.567,425 -0.607,426 2,428 -1,429 -1.249,431 -2.666,432 -0.9,433 0.13,434 -0.905,435 2,436 -0.1,437 -1,438 -1.447,440 -3,441 -1,443 -1,444 1.753,445 -0.207,446 -1.153,447 -1.68,449 -3.191,450 -1.079,451 9.7,452 0.485,453 0.676,454 0.034,455 23.5,456 1.175,457 11,458 0.55,459 12.5,460 0.625,461 15.897,462 0.795,463 23.3,464 0.568,465 16.749,466 0.837,467 4.617,468 0.231,469 4.793,470 0.24,471 0.223,472 0.086,473 0.247,479 0.585,480 1.586,481 0.911,482 1.388,483 0.674,484 1.111,485 0.795,486 0.884,487 1.041,488 0.905,489 0.517,490 0.831,491 1.119,492 1.185,493 1.178,494 1.21,495 1.149,496 1.223,497 0.925,498 0.999,499 0.893,500 0.956,501 0.949,502 0.994,503 0.872,504 0.876,505 0.758,506 0.808,507 0.862,508 0.848,509 0.897,510 1.357,511 0.936,512 1.179,513 0.864,514 1.244,515 0.699,516 1.075,517 1.071,518 1.151,519 0.639,520 1.06,521 1.474,522 0.876,523 1.103,524 0.908,525 1.529,526 0.971,527 6,528 0.033,529 2.444,530 1.354,531 0.973,532 0.594,533 0.665,534 0.341,535 0.146,536 0.12,537 3350,538 9246,539 1.927,540 51.2,542 16,543 1,545 2,547 2,550 1.619,551 1.752,552 3.079,553 0.41,554 1,555 1,557 1,559 67.363,560 1.643,561 3.355,562 4.302,563 4.619,564 4.619,565 4.619,566 2.504,567 4.022,568 4.289,569 3.231,570 613.852,571 7.336,572 6301.6,573 1,574 1,576 1,577 219.66,578 1.734,579 4.207,580 0.286,581 0.005,582 0.081,583 0.05,584 0.041,585 0.026,586 0.032,587 0.019,588 0.013,589 0.02,590 0.572,591 0.5,592 1,593 1.713,594 88.611,595 0.117,596 -0.24,597 0.252,598 -0.106,599 -0.154,600 0.002,601 0.19,602 0.294,603 0.015,604 0.162,605 0.299,606 0.169,607 -0.174,608 -0.102,609 -0.21,610 -0.14,611 -0.113,612 -0.187,613 -0.057,614 -0.069,615 0.003,616 -0.006,617 -0.024,618 -0.003,619 0.004,620 0.051,621 0.118,622 0.101,623 0.003,624 0.124,625 -0.061,626 -0.291,627 -0.054,628 -0.198,629 -0.071,630 -0.238,631 0.171,632 -0.101,633 -0.042,634 -0.161,635 0.127,636 -0.091,637 -0.236,638 0.01,639 -0.132,640 -0.013,641 -0.207,642 -0.053,643 4.148,644 4.617,645 0.45,646 16.08,647 1,648 1.136,649 0.894,650 0.8,651 0.645,652 3.091,653 3.434,654 3.584,655 3.807,656 3.989,657 4.078,658 4.234,659 4.304,660 4.043,661 3.989,662 5.188,663 0.596,664 295.45,665 3.091,666 4.635,667 5.451,668 6.337,669 7.182,670 8.072,671 8.931,672 9.824,673 10.691,674 11.585,675 7.3,677 1,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 41,716 12,717 1,718 21,720 42,721 14,722 8,723 3,724 3,730 2,731 3,743 1,745 8,746 6,750 2,753 1,755 2,760 1,761 1,764 21,765 4,766 2,767 6,768 1,773 3,777 0.5,778 2,788 1,792 1,793 1,796 1,815 1,819 1,821 1,823 3,827 20,830 1,833 3,834 1,838 1,847 4.9,850 2,854 11.417,855 8.033,856 4.389,857 2.229,858 2.237,859 1.35,860 0.969,861 4.605,862 8.632,863 3.367,864 4.03,865 4.484,866 5.095,867 5.594,868 5.959,869 6.414,870 6.779,871 6.603,872 6.731,873 0.833,874 27,875 7.557,877 3.271,878 7.854,879 14.27,881 11.635,883 2.354,884 47.083,885 0.001,888 223.651,889 85.101,890 36.315,892 44.313,894 5.807,895 79.293,896 267.964,897 36.315,898 25.189,899 5.54,900 59.689,901 44.313,902 28.854,903 13.915,904 211.88,906 223.651,907 115.608,908 44.313,909 5.807,911 200.109,912 67.855,915 41.855,916 73.754,917 5.807,919 223.651,920 80.628,921 85.101,923 5.807,924 223.651,925 16.628,926 65.79,927 33.191,928 44.313,929 223.651,930 80.628,931 85.101,933 0.588,934 0.31,935 0.147,936 0.085,937 14,938 7,939 0.143,940 6,941 1,942 1.222,943 3.136,944 142.875,945 0.222,946 9,947 82.439,950 1,951 15.199,952 6.06,953 3.906,954 2.153,955 63.842,956 7.759,958 3.232,961 2.023,963 33.191,964 389.38,965 28,968 -3.231,970 23.235,975 40.989,976 46.571,977 0.307,978 0.626,979 0.803,980 0.862,981 0.862,982 0.862,983 4.61,984 0.479,985 5.501,986 1.938,987 4.111,988 4.714,989 1.787,990 6.34,991 4.027,992 5.877,993 0.379,994 7.091,995 0.979,996 4.007,997 4.987,998 0.325,999 7.582,1000 3.858,1001 7.252,1002 -0.136,1003 8.787,1004 0.602,1005 5.808,1006 7.126,1007 2.252,1008 10.5,1009 5.633,1010 8.67,1011 -0.746,1012 10.545,1013 -0.365,1014 6.447,1015 8.156,1016 0.268,1017 12.48,1018 6.199,1019 10.12,1020 -0.855,1021 12.342,1022 -2,1023 7.818,1024 9.882,1025 2.857,1026 15.02,1027 7.542,1028 11.591,1029 -1,1030 14.165,1031 -2.103,1032 8.757,1033 11.198,1034 0.188,1035 17.256,1036 8.412,1037 13.079,1038 -1,1039 16.007,1040 -2.666,1041 9.984,1042 12.785,1043 3.513,1044 19.684,1045 9.603,1046 3.221,1047 -1.153,1048 17.861,1049 -3,1050 11.048,1051 14.213,1052 0.125,1053 22.01,1054 10.604,1055 3.066,1056 10.966,1057 19.726,1058 -3.191,1059 12.224,1060 15.75,1061 4.191,1062 24.403,1063 11.739,1064 2.307,1065 10.335,1066 21.597,1067 4.535,1068 13.34,1069 17.222,1070 0.082,1071 26.76,1072 12.797,1073 2.166,1074 6.649,1075 23.475,1076 4.448,1077 14.5,1078 18.739,1079 4.878,1080 29.142,1081 13.912,1082 1.876,1083 5.96,1084 25.356,1085 3.072,1086 15.637,1087 20.23,1088 0.054,1089 31.512,1090 14.996,1091 1.262,1092 5.024,1093 27.241,1094 2.672,1095 16.792,1096 21.739,1097 5.57,1098 33.891,1099 16.103,1100 0.848,1101 3.445,1102 29.129,1103 2.182,1104 17.939,1105 23.237,1106 0.035,1107 36.266,1108 17.198,1109 3525,1110 5988,1111 13.118,1112 26.426,1113 30.988,1114 32.339,1115 32.556,1116 31.227,1117 31.205,1118 41.594,1119 4.433,1120 91.798,1121 29.87,1122 5.533,1123 6.502,1124 6.114,1125 5.195,1126 5.221,1127 7.535,1128 2.833,1129 17.633,1130 5.067,1131 12.361,1132 1.476,1133 1.54,1134 1.55,1135 1.487,1136 1.486,1137 1.981,1138 0.211,1139 4.371,1140 1.422,1141 4.155,1142 4.18,1143 4.722,1144 4.095,1145 7.716,1146 4.077,1147 3.937,1148 3.908,1149 4.076,1150 3.888,1151 6.999,1152 3.77,1153 3.652,1154 3.736,1155 3.513,1156 3.463,1157 4.956,1158 3.457,1159 3.402,1160 3.465,1161 3.31,1162 3.243,1163 4.333,1164 3.239,1165 3.166,1166 3.261,1167 2.965,1168 2.957,1169 4.262,1170 2.946,1171 3.084,1172 3.164,1173 2.899,1174 2.849,1175 4.132,1176 2.819,1177 2.874,1178 3.009,1179 2.68,1180 2.731,1181 3.812,1182 2.706,1183 2.863,1184 2.929,1185 2.499,1186 2.618,1187 3.517,1188 2.57,1189 0.224,1190 0.214,1191 0.321,1192 0.198,1193 0.153,1194 4.7,1195 0.216,1196 4.502,1197 0.067,1198 6.731,1199 0.522,1200 4.158,1201 0.146,1202 3.221,1203 4.535,1204 1.416,1205 10.966,1206 3.067,1207 1.985,1208 1.976,1209 2.05,1210 2.056,1211 1.306,1212 2.082,1213 1.713,1214 1.716,1215 1.906,1216 1.905,1217 1.164,1218 1.922,1219 1.651,1220 1.61,1221 1.692,1222 1.834,1223 0.938,1224 1.868,1225 1.449,1226 1.367,1227 1.675,1228 1.688,1229 0.781,1230 1.694,1231 1.204,1232 1.111,1233 1.493,1234 1.458,1235 0.624,1236 1.497,1237 1.054,1238 0.969,1239 1.417,1240 1.312,1241 0.499,1242 1.356,1243 0.934,1244 0.816,1245 1.335,1246 1.239,1247 0.469,1248 1.308,1249 0.871,1250 0.804,1251 1.112,1252 1.051,1253 0.204,1254 1.084,1255 3.761,1257 5.094,1258 2.398,1259 6.597,1260 4.727,1261 8.178,1262 6.823,1263 9.805,1265 5.52,1271 1.916,1272 2.344,1276 2.133,1280 24.422,1281 67.363,1282 137.546,1283 176.375,1284 189.395,1285 189.395,1286 189.395,1287 40.429,1288 6.395,1289 65.2,1290 73.58,1291 11,1292 12.117,1293 3.7,1294 3,1295 36.381,1296 61,1297 59,1298 0.302,1299 158.073,1300 262.77,1301 377.458,1302 4097,1304 14.751,1305 0.738,1306 0.646,1307 15.001,1308 12.919,1309 9.41,1310 0.448,1311 0.391,1312 6.594,1313 8.216,1314 6.149,1315 5.194,1316 10.263,1317 8.212,1318 9.134,1319 0.304,1320 0.238,1321 10.494,1322 7.137,1323 6.584,1324 0.188,1325 0.133,1326 7.483,1327 4.663,1328 4.954,1329 0.113,1330 0.066,1331 5.51,1332 2.921,1333 3.957,1334 0.075,1335 0.039,1336 4.388,1337 2.049,1338 0.463,1339 67.76,1340 0.276,1341 19.838,1342 0.852,1343 102,1344 294.642,1345 144.038,1346 306.708,1347 406.14,1348 280,1349 116,1350 263.953,1351 164.385,1352 305.971,1353 433.93,1354 281,1355 8.155} {0 CHEMBL162899,1 1.486,2 14.097,3 3.002,4 9.013,5 123.382,6 7.273,7 0.6,8 4.149,9 4.282,10 3.715,11 3.682,12 5.199,13 3.662,14 4.701,15 4.891,16 4.05,17 4.1,18 5.666,19 4.052,20 4.95,21 5.171,22 4.028,23 4.247,24 5.843,25 4.142,26 5.05,27 5.3,28 3.947,29 4.242,30 5.905,31 4.108,32 5.031,33 5.306,34 3.892,35 4.153,36 5.878,37 4.022,38 4.898,39 5.15,40 3.862,41 4.074,42 5.803,43 3.964,44 4.859,45 5.116,46 3.774,47 4.005,48 5.749,49 3.883,50 4.78,51 5.059,52 3.587,53 3.892,54 5.593,55 3.752,56 0.051,57 0.907,58 12.023,59 4.856,60 9.81,61 6.761,62 0.28,63 1.472,64 22.924,65 7.976,66 19.25,67 11.496,68 0.309,69 1.712,70 30.744,71 11.491,72 30.633,73 16.375,74 0.277,75 1.775,76 35.401,77 12.999,78 41.304,79 18.728,80 0.362,81 1.698,82 36.033,83 12.271,84 47.819,85 18.041,86 0.314,87 1.541,88 30.704,89 10.455,90 41.056,91 15.172,92 0.319,93 1.479,94 29.664,95 10.029,96 41.018,97 14.663,98 0.302,99 1.344,100 27.912,101 9.069,102 33.452,103 13.616,104 2,105 48,106 0.24,107 0.58,108 0.761,109 0.857,110 0.864,111 0.864,112 3.471,113 0.922,114 -4.51,115 -4.43,116 -4.17,119 42.1,121 2,125 5,140 8,141 3,142 1,149 1,150 1,156 1,158 2,164 1,169 11,171 3,172 4,176 3,178 11,181 2,182 5,186 3,189 8,193 9,197 1,199 3,203 12,206 1,211 2,215 10,218 1,222 1,226 8,229 2,233 1,236 1,237 6,244 3,249 2,252 2,256 5,259 1627,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.016,266 23.695,267 12.946,268 21.995,269 17.33,270 17.33,271 17.33,272 17.33,273 17.33,274 13.495,275 26.023,276 6.198,277 17.989,278 4.347,279 2.248,280 1.127,281 0.54,282 0.491,283 0.491,284 4.185,288 1,289 1,290 981,291 2.915,294 162.85,295 309.634,298 138.304,302 2.171,303 18.353,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 437,316 4.568,317 3.758,318 6.566,319 4.099,320 3.118,321 4.518,322 1.991,323 10.431,324 3.062,325 4.129,326 3.196,327 6.104,328 3.857,329 2.902,330 3.731,331 0.858,332 8.923,333 2.769,334 4.065,335 2.885,336 6.095,337 3.689,338 2.752,339 3.472,340 0.698,341 8.884,342 2.577,343 3.823,344 2.787,345 5.373,346 3.47,347 2.49,348 3.112,349 0.088,350 7.083,351 2.447,352 3.439,353 2.696,354 5.179,355 3.154,356 2.205,357 2.812,359 6.351,360 2.088,361 3.283,362 2.185,363 5.121,364 2.991,365 2.019,366 2.593,368 5.993,369 1.951,370 3.238,371 2.124,372 4.514,373 2.73,374 1.776,375 2.301,377 4.655,378 1.69,379 2.926,380 1.795,381 4.159,382 2.533,383 1.529,384 2.072,386 3.745,387 1.528,388 2.742,389 1.508,390 4.131,391 2.339,392 1.348,393 1.847,395 3.478,396 1.331,397 2.589,398 1.368,399 3.59,400 2.3,401 1.317,402 1.552,404 3.004,405 1.292,406 2.5,407 1.163,408 3.475,409 2.084,410 1.12,411 1.5,413 2.53,414 1.077,415 2.426,416 1,417 3.319,418 2,419 1,420 1.4,422 2.136,423 1,424 2.255,425 0.936,426 3.247,427 1.86,428 0.895,429 1.196,431 2.098,432 0.862,433 2.118,434 0.889,435 3.182,436 1.567,437 0.618,438 0.927,440 1.481,441 0.582,442 1.986,443 0.677,444 3,445 1.518,446 0.609,447 0.824,449 1.372,450 0.556,451 14.733,452 0.475,453 0.585,454 0.019,455 40.5,456 1.306,457 19.5,458 0.629,459 21,460 0.677,461 25.278,462 0.815,463 32.667,464 0.573,465 28.804,466 0.929,467 8.104,468 0.261,469 7.155,470 0.231,471 0.023,473 0.285,479 0.755,480 1.413,481 0.785,482 1.115,483 0.508,484 0.977,485 0.983,486 1.03,487 0.972,488 0.931,489 0.613,490 0.935,491 0.929,492 1.028,493 1.077,494 1.105,495 0.953,496 1.111,497 0.979,498 1.077,499 1.044,500 1.129,501 1.158,502 1.109,503 1.03,504 0.91,505 0.928,506 0.924,507 1.16,508 0.921,509 1.184,510 1.002,511 1.021,512 1.003,513 1.311,514 0.999,515 1.107,516 1.05,517 1.048,518 1.057,519 1.233,520 1.054,521 1.026,522 0.91,523 1.053,524 0.963,525 0.882,526 0.997,527 5,528 0.111,529 3.111,530 1.382,531 1.348,532 0.764,533 0.505,534 0.301,535 0.182,536 0.168,537 16119,538 38664,539 2.2,540 45.6,541 2,542 18,543 1,544 2,545 1,547 2,550 1.73,551 2.138,552 3.768,553 -0.361,555 1,559 84.714,560 1.486,561 3.585,562 4.705,563 5.293,564 5.342,565 5.342,566 3.244,567 4.567,568 4.927,569 3.958,570 1840.65,571 8.568,572 27820.7,574 1,577 332.475,578 1.058,579 4.918,580 0.143,581 0.005,582 0.065,583 0.031,584 0.034,585 0.02,586 0.014,587 0.009,588 0.007,589 0.006,590 0.333,591 0.17,592 0.88,593 0.32,594 165.101,595 0.061,596 -0.211,597 0.082,598 -0.083,599 0.062,600 -0.015,601 -0.004,602 0.117,603 -0.043,604 0.044,605 0.01,606 0.006,607 -0.025,608 -0.014,609 -0.131,610 -0.092,611 -0.043,612 -0.119,613 -0.06,614 -0.144,615 -0.069,616 -0.115,617 -0.065,618 -0.098,619 -0.02,620 -0.001,621 0.082,622 0.062,623 -0.012,624 0.08,625 -0.08,626 -0.045,627 -0.024,628 -0.021,629 -0.052,630 -0.017,631 -0.032,632 -0.097,633 -0.048,634 -0.082,635 -0.062,636 -0.074,637 -0.076,638 0.037,639 -0.047,640 -0.003,641 -0.048,642 -0.015,643 1.444,644 5.592,645 0.839,646 35.109,647 0.996,648 1.129,649 3.276,650 10.734,651 0.668,652 3.584,653 3.892,654 4.174,655 4.431,656 4.605,657 4.673,658 4.804,659 4.934,660 4.984,661 5.024,662 8.241,663 0.634,664 414.56,665 3.584,666 5.118,667 5.969,668 6.836,669 7.7,670 8.573,671 9.442,672 10.318,673 11.191,674 12.068,675 10.5,678 1,682 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 57,716 22,717 2,718 35,720 61,721 24,722 16,723 4,724 8,730 5,731 6,743 2,745 17,746 7,750 1,755 1,759 1,761 1,764 26,765 5,766 1,767 7,773 6,777 0.8,778 1,788 1,792 2,793 3,796 1,806 1,815 1,819 4,827 31,833 7,838 2,844 1,847 1.8,850 1,854 14.5,855 10.083,856 6.778,857 3.483,858 3.575,859 1.44,860 1.026,861 5.831,862 11.7,863 3.861,864 4.443,865 5.029,866 5.607,867 6.042,868 6.366,869 6.808,870 7.234,871 7.429,872 7.635,873 1,874 45,875 11.464,877 4.876,878 7.565,879 22.428,881 18.793,883 2.065,884 64,887 1,888 294.278,889 136.242,890 58.259,892 25.145,895 136.242,896 319.422,897 58.259,899 18.722,900 84.857,901 103.955,902 33.51,903 13.915,904 258.964,906 294.278,907 194.501,908 25.145,911 270.735,912 48.687,915 57.768,916 103.407,917 33.326,919 294.278,920 83.404,921 136.242,924 294.278,925 34.147,926 110.242,927 16.786,928 58.471,929 294.278,930 83.404,931 136.242,933 0.576,934 0.337,935 0.184,936 0.094,937 24,938 9,939 0.115,940 7,941 1,942 1.077,943 4.51,944 275.137,945 0.077,946 26,947 145.58,951 19.983,952 9.046,953 4.555,954 2.367,955 64.72,956 22.069,957 7.787,958 3.37,961 3.548,962 1.913,963 16.786,964 513.924,965 46.5,970 12.592,974 0.223,975 56.774,976 64.351,977 0.255,978 0.615,979 0.807,980 0.907,981 0.916,982 0.916,983 5.083,984 1.529,985 5.927,986 4.655,987 4.575,988 5.13,989 2.276,990 6.706,991 4.504,992 6.263,993 1.348,994 7.459,995 3.745,996 4.007,997 4.783,998 1.738,999 7.516,1000 3.9,1001 7.55,1002 1.317,1003 9.091,1004 3.478,1005 6.133,1006 7.301,1007 3.134,1008 10.616,1009 5.991,1010 8.874,1011 1.12,1012 10.784,1013 3.004,1014 6.447,1015 7.892,1016 3.231,1017 12.292,1018 6.267,1019 10.234,1020 1,1021 12.517,1022 2.53,1023 7.972,1024 9.805,1025 4.312,1026 14.872,1027 7.764,1028 11.62,1029 0.895,1030 14.278,1031 2.136,1032 8.696,1033 10.851,1034 4.698,1035 16.904,1036 8.455,1037 13.026,1038 0.618,1039 16.058,1040 2.098,1041 9.973,1042 12.515,1043 5.603,1044 19.306,1045 9.707,1046 3.118,1047 0.609,1048 17.854,1049 1.481,1050 10.895,1051 13.792,1052 6.129,1053 21.494,1054 10.602,1055 2.902,1056 10.431,1057 19.66,1058 1.372,1059 12.067,1060 15.353,1061 6.936,1062 23.836,1063 11.752,1064 2.752,1065 8.923,1066 21.476,1067 4.518,1068 13.084,1069 16.743,1070 7.537,1071 26.095,1072 12.747,1073 2.49,1074 8.884,1075 23.298,1076 3.731,1077 14.214,1078 18.264,1079 8.291,1080 28.418,1081 13.857,1082 2.205,1083 7.083,1084 25.127,1085 3.472,1086 15.279,1087 19.711,1088 8.931,1089 30.711,1090 14.902,1091 2.019,1092 6.351,1093 26.961,1094 3.112,1095 16.394,1096 21.217,1097 9.655,1098 33.033,1099 15.999,1100 1.776,1101 5.993,1102 28.799,1103 2.812,1104 17.482,1105 22.693,1106 10.317,1107 35.344,1108 17.07,1109 14671,1110 22882,1111 24.444,1112 38.103,1113 52.679,1114 52.842,1115 52.233,1116 52.015,1117 52.06,1118 68.462,1119 7.269,1120 145.952,1121 50.272,1122 5.568,1123 5.758,1124 6.367,1125 5.167,1126 5.118,1127 7.518,1128 3.468,1129 17.096,1130 5.062,1131 7.293,1132 1.505,1133 1.51,1134 1.492,1135 1.486,1136 1.487,1137 1.956,1138 0.208,1139 4.17,1140 1.436,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 7.427,1146 4.069,1147 3.948,1148 3.992,1149 3.872,1150 3.86,1151 5.135,1152 3.856,1153 3.834,1154 3.907,1155 3.789,1156 3.635,1157 4.927,1158 3.652,1159 3.795,1160 3.851,1161 3.709,1162 3.572,1163 4.753,1164 3.61,1165 3.523,1166 3.589,1167 3.39,1168 3.363,1169 4.296,1170 3.364,1171 3.292,1172 3.359,1173 3.193,1174 3.124,1175 4.244,1176 3.13,1177 3.148,1178 3.233,1179 2.996,1180 2.978,1181 3.966,1182 2.969,1183 3.139,1184 3.197,1185 2.981,1186 2.937,1187 3.796,1188 2.934,1189 0.131,1190 0.107,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.758,1197 0.057,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 1.991,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.059,1210 2.062,1211 1.336,1212 2.061,1213 1.92,1214 1.888,1215 2.04,1216 2.044,1217 1.23,1218 2.041,1219 1.773,1220 1.713,1221 1.958,1222 1.948,1223 1.139,1224 1.959,1225 1.63,1226 1.576,1227 1.827,1228 1.812,1229 1.056,1230 1.821,1231 1.405,1232 1.334,1233 1.582,1234 1.663,1235 0.755,1236 1.641,1237 1.318,1238 1.253,1239 1.492,1240 1.528,1241 0.657,1242 1.529,1243 1.135,1244 1.061,1245 1.43,1246 1.442,1247 0.618,1248 1.382,1249 1.115,1250 1.054,1251 1.409,1252 1.359,1253 0.576,1254 1.379,1255 4.263,1257 5.572,1258 3.045,1259 7.069,1260 5.283,1261 8.652,1262 7.286,1263 10.28,1271 5.881,1276 4.249,1280 36.111,1281 84.714,1282 204.363,1283 268.21,1284 301.72,1285 304.475,1286 304.475,1287 41.816,1288 8.124,1289 70.05,1290 70.05,1291 28,1292 12.607,1293 4.524,1294 3.644,1295 44.005,1296 157,1297 144,1298 0.135,1299 219.508,1300 366.75,1301 527.359,1302 45867,1304 21.045,1305 0.679,1306 0.563,1307 21.045,1308 17.445,1309 15.259,1310 0.436,1311 0.307,1312 10.605,1313 14.686,1314 10.401,1315 8.586,1316 15.259,1317 10.752,1318 13.466,1319 0.281,1320 0.169,1321 13.466,1322 8.094,1323 11.673,1324 0.182,1325 0.094,1326 11.673,1327 6.002,1328 9.798,1329 0.118,1330 0.052,1331 9.798,1332 4.28,1333 7.536,1334 0.076,1335 0.03,1336 7.536,1337 2.941,1338 0.22,1339 95.349,1340 0.202,1341 29.894,1342 0.347,1343 166,1344 432.294,1345 179.732,1346 424.612,1347 590.23,1348 400,1349 195,1350 443.817,1351 210.565,1352 451.247,1353 654.02,1354 424,1355 8.153} {0 CHEMBL162930,1 1.52,2 10.217,3 1.809,4 3.271,5 91.963,6 7.078,7 0.577,8 3.903,9 4.038,10 3.449,11 3.381,12 4.907,13 3.369,14 4.473,15 4.668,16 3.759,17 3.796,18 5.382,19 3.754,20 4.676,21 4.913,22 3.668,23 3.923,24 5.465,25 3.81,26 4.713,27 4.974,28 3.564,29 3.918,30 5.455,31 3.765,32 4.712,33 5.008,34 3.462,35 3.79,36 5.409,37 3.63,38 4.518,39 4.796,40 3.434,41 3.645,42 5.273,43 3.528,44 4.403,45 4.652,46 3.412,47 3.581,48 5.244,49 3.476,50 4.389,51 4.66,52 3.221,53 3.5,54 5.177,55 3.37,56 0.043,57 0.702,58 9.947,59 3.711,60 7.707,61 5.341,62 0.257,63 1.108,64 19.286,65 6.135,66 16.824,67 9.006,68 0.292,69 1.238,70 24.261,71 8.41,72 20.365,73 12.461,74 0.153,75 1.252,76 25.14,77 9.267,78 19.266,79 13.942,80 0.249,81 1.154,82 26.341,83 8.755,84 23.254,85 13.489,86 0.237,87 1,88 21.455,89 6.683,90 18.434,91 10.402,92 0.202,93 0.938,94 18.598,95 6.001,96 18.562,97 9.16,98 0.22,99 0.879,100 18.705,101 5.583,102 18.863,103 8.785,105 35,106 0.264,107 0.614,108 0.78,109 0.82,110 0.82,111 0.82,112 3.188,113 0.941,114 -3.6,115 -3.57,116 -3.41,119 38.6,121 2,125 5,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 5,171 2,172 3,176 3,178 5,181 1,182 3,186 3,189 5,193 6,197 1,199 3,203 7,206 1,211 2,215 5,218 1,222 1,226 4,229 2,236 1,237 4,249 1,252 1,259 749,260 16.206,261 16.206,262 16.206,263 16.206,264 16.206,265 14.519,266 18.836,267 9.855,268 16.706,269 12.886,270 12.886,271 12.886,272 12.886,273 12.886,274 10.347,275 18.982,276 4.713,277 13.665,278 3.939,279 1.916,280 0.961,281 0.727,282 0.727,283 0.727,284 3.893,287 1,288 1,289 1,290 525,291 2.449,294 108.381,295 133.491,298 89.909,302 1.618,303 11.141,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49.5,315 235,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.86,323 10.431,324 3.062,325 4.129,326 2.899,327 6.095,328 3.689,329 2.753,330 3.731,331 0.8,332 8.884,333 2.578,334 3.53,335 2.867,336 5.342,337 3.436,338 2.52,339 2.813,341 6.968,342 2.308,343 3.419,344 2.219,345 5.127,346 3.018,347 2.038,348 2.595,350 6.002,351 1.992,352 3.248,353 2.131,354 4.514,355 2.732,356 1.778,357 2.511,359 4.655,360 1.691,361 2.749,362 1.794,363 4.135,364 2.457,365 1.551,366 1.853,368 3.509,369 1.409,370 2.564,371 1.361,372 3.674,373 2.252,374 1.294,375 1.567,377 3.181,378 1.229,379 2.405,380 1.256,381 3.387,382 2.018,383 1.075,384 1.369,386 2.383,387 1.006,388 2.207,389 1.146,390 3.289,391 1.952,392 1,393 1.139,395 2.136,396 0.946,397 2.118,398 0.925,399 3.247,400 1.844,401 0.882,402 1,404 2.064,405 0.845,406 2,407 0.656,408 3.147,409 1.541,410 0.618,411 0.927,413 1.416,414 0.557,415 1.942,416 0.618,417 3,418 1.518,419 0.585,420 0.789,422 1.372,423 0.556,424 1.086,425 0.114,426 2.59,427 0.89,428 -0.067,429 -0.074,431 -0.162,432 -0.064,433 0.768,434 -0.36,435 2.434,436 0.396,437 -0.561,438 -0.671,440 -1.357,441 -0.534,442 0.598,443 -0.403,444 2.097,445 0.185,446 -0.797,447 -0.963,449 -1.964,450 -0.781,451 10.833,452 0.471,453 0.359,454 0.016,455 28,456 1.217,457 12,458 0.522,459 16,460 0.696,461 17.976,462 0.782,463 25.167,464 0.572,465 17.4,466 0.757,467 5.539,468 0.241,469 5.86,470 0.255,473 0.258,479 0.875,480 1.506,481 0.808,482 1.221,483 0.655,484 1.036,485 1.405,486 1.016,487 1.036,488 0.915,489 1.055,490 0.925,491 0.983,492 0.959,493 1.067,494 1.01,495 0.842,496 1.05,497 0.528,498 1.111,499 0.988,500 1.193,501 0.6,502 1.16,503 0.657,504 0.93,505 0.841,506 0.953,507 0.753,508 0.931,509 0.889,510 0.922,511 0.877,512 0.873,513 0.807,514 0.871,515 0.898,516 1.121,517 0.992,518 1.09,519 0.937,520 1.063,521 1.02,522 0.958,523 1.131,524 1.038,525 1.236,526 1.077,527 3,528 0.046,529 2.222,530 0.819,531 0.614,532 0.528,533 0.323,534 0.138,535 0.086,536 0.092,537 6540,538 15511,539 2.223,540 47.7,541 2,542 13,543 1,544 2,545 1,547 2,550 1.654,551 2.19,552 3.338,553 -0.284,554 1,555 1,557 1,559 66.88,560 1.52,561 3.543,562 4.499,563 4.732,564 4.732,565 4.732,566 2.773,567 3.915,568 4.494,569 3.496,570 884.468,571 7.72,572 10260.2,574 1,576 1,577 240.215,578 0.828,579 4.498,580 0.115,581 0.004,582 0.063,583 0.026,584 0.023,585 0.022,586 0.013,587 0.006,588 0.005,589 0.006,590 0.284,591 0.5,592 1,594 108.777,595 0.06,596 -0.25,597 0.095,598 -0.129,599 0.203,600 -0.031,601 -0.167,602 0.119,603 -0.067,604 0.087,605 -0.065,606 0.031,607 -0.089,608 0.052,609 -0.118,610 0.019,611 -0.041,612 -0.045,613 0.015,614 -0.15,615 -0.065,616 -0.147,617 0.055,618 -0.122,619 0.071,620 -0.055,621 0.129,622 0.038,623 0.077,624 0.081,625 -0.011,626 0.018,627 0.103,628 0.097,629 0.053,630 0.113,631 0.02,632 -0.119,633 -0.027,634 -0.104,635 -0.006,636 -0.082,637 -0.108,638 0.029,639 -0.153,640 -0.093,641 -0.231,642 -0.118,643 0.63,644 1.899,645 0.87,646 20.514,647 0.998,648 1.137,649 2.371,650 5.622,651 0.649,652 3.296,653 3.584,654 3.871,655 4.127,656 4.263,657 4.344,658 4.489,659 4.615,660 4.644,661 4.663,662 6.111,663 0.614,664 311.43,665 3.296,666 4.812,667 5.659,668 6.521,669 7.383,670 8.253,671 9.123,672 9.998,673 10.874,674 11.753,675 11.4,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 44,716 15,717 1,718 26,720 47,721 17,722 10,723 3,724 3,730 4,731 5,743 2,745 10,746 7,760 1,761 1,764 21,765 4,766 1,767 6,773 5,777 0.75,778 1,788 1,792 2,793 2,796 1,815 1,818 1,819 3,827 23,833 7,835 1,838 1,844 1,847 2.3,851 1,854 10.5,855 7.717,856 5.083,857 2.747,858 2.794,859 1.386,860 1.016,861 4.309,862 10.033,863 3.541,864 4.119,865 4.745,866 5.36,867 5.784,868 6.221,869 6.697,870 7.136,871 7.328,872 7.547,873 0.857,874 31,875 8.483,877 3.553,878 7.464,879 16.792,881 13.977,883 1.964,884 45.167,885 0.001,888 235.422,889 85.944,890 55.135,892 11,895 85.944,896 246.422,897 55.135,899 20.571,900 37.476,901 85.105,902 30.324,903 13.915,904 200.109,906 235.422,907 141.079,908 11,911 211.88,912 23.542,913 11,915 59.617,916 48.136,917 33.326,919 235.422,920 66.135,921 85.944,924 235.422,925 31.23,926 59.737,927 16.786,928 44.326,929 235.422,930 66.135,931 85.944,933 0.569,934 0.334,935 0.184,936 0.089,937 18,938 6,939 0.106,940 5,941 1,942 1.1,943 3.762,944 182.445,945 0.1,946 20,947 96.042,951 14.729,952 6.728,953 3.258,954 2.473,955 47.45,956 12.007,957 7.759,958 3.375,961 2.472,962 1.934,963 16.786,964 387.501,965 33.5,975 43.905,976 50.023,977 0.278,978 0.649,979 0.824,980 0.867,981 0.867,982 0.867,983 4.751,984 1.075,985 5.602,986 3.181,987 4.263,988 4.804,989 1.235,990 6.372,991 4.16,992 5.918,993 1,994 7.124,995 2.383,996 3.611,997 4.477,998 0.325,999 7.182,1000 3.483,1001 7.202,1002 0.882,1003 8.75,1004 2.136,1005 5.802,1006 7.012,1007 0.938,1008 10.296,1009 5.617,1010 8.531,1011 0.618,1012 10.443,1013 2.064,1014 6.089,1015 7.693,1016 0.268,1017 12.018,1018 5.889,1019 9.903,1020 0.585,1021 12.181,1022 1.416,1023 7.641,1024 9.588,1025 0.732,1026 14.601,1027 7.396,1028 11.304,1029 -0.067,1030 13.95,1031 1.372,1032 8.363,1033 10.721,1034 0.188,1035 16.678,1036 8.111,1037 12.728,1038 -0.561,1039 15.74,1040 -0.162,1041 9.653,1042 12.371,1043 0.57,1044 19.09,1045 9.368,1046 3.118,1047 -0.797,1048 17.547,1049 -1.357,1050 10.583,1051 13.708,1052 0.125,1053 21.312,1054 10.292,1055 2.753,1056 10.431,1057 19.365,1058 -1.964,1059 11.764,1060 15.263,1061 0.438,1062 23.668,1063 11.451,1064 2.52,1065 8.884,1066 21.193,1067 4.518,1068 12.793,1069 16.691,1070 0.082,1071 25.951,1072 12.474,1073 2.038,1074 6.968,1075 23.028,1076 3.731,1077 13.932,1078 18.211,1079 0.334,1080 28.289,1081 13.597,1082 1.778,1083 6.002,1084 24.87,1085 2.813,1086 15.008,1087 19.679,1088 0.054,1089 30.6,1090 14.666,1091 1.551,1092 4.655,1093 26.716,1094 2.595,1095 16.134,1096 21.187,1097 0.252,1098 32.934,1099 15.778,1100 1.294,1101 3.509,1102 28.566,1103 2.511,1104 17.234,1105 22.674,1106 0.035,1107 35.259,1108 16.869,1109 6044,1110 9435,1111 18.375,1112 28.574,1113 38.831,1114 38.444,1115 38.43,1116 38.404,1117 38.422,1118 49.625,1119 3.32,1120 106.002,1121 36.359,1122 5.568,1123 5.196,1124 6.367,1125 5.202,1126 5.118,1127 7.518,1128 1.72,1129 17.095,1130 5.062,1132 1.494,1133 1.479,1134 1.478,1135 1.477,1136 1.478,1137 1.909,1138 0.128,1139 4.077,1140 1.398,1141 4.152,1142 4.189,1143 4.112,1144 4.06,1145 5.135,1146 4.068,1147 3.837,1148 3.91,1149 3.789,1150 3.622,1151 4.927,1152 3.641,1153 3.802,1154 3.868,1155 3.687,1156 3.561,1157 4.626,1158 3.594,1159 3.495,1160 3.557,1161 3.35,1162 3.336,1163 4.261,1164 3.334,1165 3.269,1166 3.336,1167 3.153,1168 3.094,1169 4.059,1170 3.098,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.787,1176 2.91,1177 2.982,1178 3.06,1179 2.85,1180 2.796,1181 3.557,1182 2.799,1183 2.811,1184 2.888,1185 2.635,1186 2.572,1187 3.474,1188 2.572,1189 0.176,1190 0.123,1191 0.253,1192 0.158,1193 0.12,1194 4.568,1195 0.174,1196 3.196,1197 0.033,1198 6.566,1199 0.401,1200 4.099,1201 0.118,1202 3.118,1203 4.518,1204 0.86,1205 10.431,1206 3.062,1207 1.96,1208 1.936,1209 2.048,1210 2.054,1211 1.333,1212 2.053,1213 1.768,1214 1.707,1215 1.973,1216 1.992,1217 1.199,1218 1.99,1219 1.614,1220 1.56,1221 1.829,1222 1.807,1223 1.076,1224 1.817,1225 1.401,1226 1.331,1227 1.572,1228 1.659,1229 0.825,1230 1.636,1231 1.286,1232 1.221,1233 1.513,1234 1.498,1235 0.709,1236 1.504,1237 1.153,1238 1.064,1239 1.476,1240 1.442,1241 0.579,1242 1.429,1243 1.078,1244 0.982,1245 1.219,1246 1.376,1247 0.354,1248 1.379,1249 0.912,1250 0.836,1251 1.217,1252 1.185,1253 0.186,1254 1.2,1255 3.97,1257 5.263,1258 3.045,1259 6.746,1260 5.283,1261 8.318,1262 7.286,1263 9.939,1271 7.26,1273 5.399,1276 2.487,1280 27.036,1281 66.88,1282 155.892,1283 197.95,1284 208.215,1285 208.215,1286 208.215,1287 23.886,1288 7.238,1289 58.97,1290 58.97,1291 22,1292 12.291,1293 4,1294 3.087,1295 31.991,1296 83,1297 83,1298 0.185,1299 164.67,1300 268.47,1301 393.555,1302 13936,1304 15.485,1305 0.673,1306 0.57,1307 15.485,1308 13.111,1309 11.399,1310 0.438,1311 0.314,1312 8.007,1313 10.841,1314 7.885,1315 6.475,1316 11.399,1317 8.151,1318 9.814,1319 0.28,1320 0.171,1321 9.814,1322 5.971,1323 8.581,1324 0.183,1325 0.096,1326 8.581,1327 4.492,1328 7.24,1329 0.119,1330 0.052,1331 7.24,1332 3.186,1333 5.34,1334 0.076,1335 0.03,1336 5.34,1337 2.084,1338 0.293,1339 72.035,1340 0.233,1341 22.89,1342 0.499,1343 122,1344 326.649,1345 133.982,1346 313.541,1347 438.06,1348 298,1349 143,1350 329,1351 156.232,1352 331.71,1353 482.06,1354 312,1355 8.056} {0 CHEMBL163114,1 1.491,2 17.946,3 3.634,4 13.205,5 145.658,6 7.198,7 0.619,8 4.345,9 4.478,10 3.904,11 3.854,12 5.381,13 3.836,14 4.902,15 5.1,16 4.243,17 4.27,18 5.843,19 4.225,20 5.128,21 5.361,22 4.183,23 4.412,24 5.955,25 4.307,26 5.24,27 5.492,28 4.11,29 4.433,30 6.019,31 4.29,32 5.247,33 5.542,34 4.031,35 4.348,36 5.954,37 4.196,38 5.077,39 5.345,40 3.995,41 4.272,42 5.828,43 4.141,44 5.073,45 5.332,46 3.959,47 4.251,48 5.845,49 4.111,50 5.09,51 5.382,52 3.824,53 4.173,54 5.803,55 4.014,56 0.107,57 1.109,58 15.05,59 5.87,60 14.109,61 8.316,62 0.344,63 1.786,64 28.686,65 9.675,66 25.812,67 14.218,68 0.329,69 2.05,70 37.205,71 13.286,72 31.542,73 19.494,74 0.318,75 2.136,76 42.809,77 15.759,78 39.171,79 23.017,80 0.424,81 2.066,82 45.149,83 15.114,84 40.517,85 23.078,86 0.317,87 1.858,88 36.664,89 12.669,90 28.863,91 19.138,92 0.306,93 1.836,94 36.27,95 12.901,96 32.535,97 19.205,98 0.487,99 1.772,100 38.605,101 12.389,102 37.262,103 19.005,104 2,105 58,106 0.231,107 0.564,108 0.729,109 0.811,110 0.82,111 0.838,112 3.641,113 0.929,114 -6.06,115 -5.9,116 -5.49,119 40.6,120 1,121 3,125 6,140 7,141 4,142 1,147 1,149 1,150 1,158 2,159 1,164 2,169 12,171 4,172 8,176 3,178 13,181 1,182 10,186 3,189 10,193 14,197 1,199 5,203 14,206 1,211 4,215 10,218 1,222 3,226 7,229 2,233 2,236 3,237 6,244 3,248 1,249 2,252 1,256 4,259 2862,260 25.756,261 25.756,262 25.756,263 25.756,264 25.756,265 22.761,266 26.301,267 15.276,268 26.328,269 20.773,270 20.773,271 20.773,272 20.773,273 20.773,274 16.301,275 26.673,276 7.308,277 21.683,278 4.617,279 2.473,280 1.412,281 0.881,282 0.823,283 0.707,284 4.362,289 1,290 1503,291 3.24,294 336.651,295 391.556,298 181.305,302 2.929,303 18.004,306 0.75,307 0.33,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.75,314 79,315 664,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.3,326 3.003,327 6.177,328 3.899,329 2.922,330 3.97,331 0.8,332 9.194,333 2.859,334 4.129,335 2.95,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.578,343 3.891,344 2.882,345 5.509,346 3.601,347 2.67,348 3.441,350 7.436,351 2.505,352 3.655,353 2.709,354 5.342,355 3.46,356 2.488,357 2.814,359 6.972,360 2.395,361 3.479,362 2.521,363 5.141,364 3.164,365 2.228,366 2.802,368 6.338,369 2.093,370 3.429,371 2.301,372 5.101,373 3.064,374 2.102,375 2.641,377 6.001,378 2.022,379 3.252,380 2.18,381 5.017,382 2.982,383 2.016,384 2.589,386 5.967,387 1.925,388 3.181,389 1.795,390 4.514,391 2.73,392 1.776,393 2.198,395 4.655,396 1.69,397 2.742,398 1.421,399 4.134,400 2.323,401 1.337,402 1.847,404 3.535,405 1.317,406 2.703,407 1.368,408 4.127,409 2.274,410 1.295,411 1.781,413 3.481,414 1.266,415 2.5,416 1.17,417 3.484,418 2.096,419 1.131,420 1.5,422 2.559,423 1.089,424 2.428,425 1.146,426 3.414,427 2,428 1,429 1.404,431 2.275,432 1,433 2.265,434 1,435 3.414,436 1.967,437 1,438 1.208,440 2.275,441 0.965,442 2.185,443 0.95,444 3.325,445 1.868,446 0.903,447 1.038,449 2.11,450 0.869,451 17.533,452 0.474,453 0.721,454 0.019,455 47.5,456 1.284,457 22,458 0.595,459 25.5,460 0.689,461 33.392,462 0.902,463 39.467,464 0.572,465 33.753,466 0.912,467 9.308,468 0.252,469 8.901,470 0.241,471 0.029,473 0.297,479 0.764,480 1.436,481 0.792,482 1.154,483 0.615,484 1.005,485 1.012,486 1.048,487 0.928,488 0.938,489 0.666,490 0.916,491 0.939,492 0.98,493 1.068,494 1.058,495 0.778,496 1.071,497 0.901,498 1.119,499 1.058,500 1.189,501 0.813,502 1.162,503 0.751,504 0.881,505 0.86,506 0.892,507 0.717,508 0.89,509 0.742,510 0.974,511 0.96,512 1.003,513 0.72,514 1.003,515 0.762,516 1.113,517 1.031,518 1.167,519 0.858,520 1.143,521 0.88,522 0.861,523 1.024,524 0.943,525 1.001,526 0.991,527 6.5,528 0.131,529 4,530 1.229,531 1.358,532 1.104,533 0.489,534 0.342,535 0.289,536 0.178,537 29559,538 71152,539 2.214,540 46.4,541 2,542 19,543 1,544 2,545 1,546 3,547 4,550 1.771,551 2.155,552 4.082,553 -0.365,559 102.882,560 1.491,561 3.636,562 4.697,563 5.228,564 5.286,565 5.402,566 3.527,567 4.736,568 5.182,569 4.319,570 2876.31,571 9.057,572 52836.6,577 421.488,578 1.043,579 5.174,580 0.155,581 0.004,582 0.069,583 0.023,584 0.029,585 0.025,586 0.011,587 0.009,588 0.008,589 0.005,590 0.339,591 0.17,592 0.63,593 0.282,594 212.185,595 0.171,596 -0.21,597 0.097,598 -0.09,599 0.235,600 -0.021,601 0.029,602 0.095,603 0.019,604 0.056,605 0.173,606 0.042,607 -0.107,608 0.054,609 -0.12,610 -0.039,611 0.001,612 -0.07,613 -0.051,614 -0.181,615 -0.094,616 -0.151,617 0.029,618 -0.135,619 0.033,620 0.01,621 0.137,622 0.101,623 0.102,624 0.127,625 -0.012,626 -0.009,627 0.008,628 0.001,629 0.006,630 0.008,631 0.025,632 -0.156,633 -0.065,634 -0.151,635 -0.052,636 -0.128,637 0.015,638 0.058,639 -0.02,640 0.026,641 -0.102,642 0.003,643 1.082,644 1.761,645 0.838,646 52.272,647 0.996,648 1.133,649 4.826,650 23.289,651 0.661,652 3.761,653 4.078,654 4.357,655 4.605,656 4.771,657 4.86,658 4.977,659 5.106,660 5.193,661 5.215,662 10.478,663 0.626,664 496.68,665 3.761,666 5.303,667 6.155,668 7.022,669 7.885,670 8.755,671 9.623,672 10.494,673 11.365,674 12.238,675 11.6,678 2,683 2,685 4,687 2,688 10,689 4,690 1,691 1,693 6,694 1,695 26,714 69,716 26,717 2,718 42,720 74,721 28,722 18,723 5,724 7,730 6,731 7,736 1,743 3,745 18,746 10,764 32,765 7,766 1,767 9,773 8,777 0.833,778 1,788 1,792 3,793 3,796 1,815 2,819 5,823 1,827 37,833 9,838 2,844 1,847 1.4,852 1,854 17.167,855 12.65,856 8.028,857 4.348,858 4.46,859 1.505,860 1.022,861 7.134,862 13.285,863 4.025,864 4.627,865 5.232,866 5.824,867 6.242,868 6.612,869 7.042,870 7.444,871 7.667,872 7.82,873 0.917,874 53,875 13.637,877 5.754,878 7.468,879 26.921,881 22.539,883 1.968,884 72.833,888 364.904,889 146.06,890 94.641,892 9.734,895 146.06,896 374.638,897 94.641,898 8.825,899 20.238,900 75.381,901 115.508,902 51.882,903 13.915,904 329.591,906 364.904,907 240.701,908 9.734,911 320.148,912 56.819,915 76.253,916 92.412,917 69.708,919 364.904,920 104.376,921 146.06,924 364.904,925 44.616,926 109.591,927 16.786,928 79.442,929 364.904,930 104.376,931 146.06,933 0.58,934 0.337,935 0.181,936 0.092,937 29,938 11,939 0.122,940 9,941 1,942 1.065,943 5.168,944 344.423,945 0.065,946 31,947 180.75,951 24.049,952 10.975,953 5.669,954 2.469,955 85.691,956 20.581,957 16.024,958 3.423,959 5.261,961 6.03,962 1.946,963 16.786,964 615.34,965 55,975 68.745,976 78.178,977 0.244,978 0.595,979 0.769,980 0.856,981 0.865,982 0.884,983 5.255,984 2.016,985 6.116,986 6.001,987 4.762,988 5.316,989 1.072,990 6.889,991 4.683,992 6.441,993 1.776,994 7.645,995 5.967,996 4.205,997 4.997,998 0.57,999 7.687,1000 4.081,1001 7.731,1002 1.337,1003 9.271,1004 4.655,1005 6.323,1006 7.507,1007 0.653,1008 10.762,1009 6.17,1010 9.059,1011 1.295,1012 10.954,1013 3.535,1014 6.635,1015 8.121,1016 0.479,1017 12.424,1018 6.444,1019 10.422,1020 1.131,1021 12.677,1022 3.481,1023 8.149,1024 10.017,1025 0.432,1026 14.981,1027 7.936,1028 11.81,1029 1,1030 14.426,1031 2.559,1032 8.86,1033 11.071,1034 0.346,1035 17.005,1036 8.619,1037 13.218,1038 1,1039 16.195,1040 2.275,1041 10.128,1042 12.719,1043 0.291,1044 19.392,1045 9.867,1046 3.118,1047 0.903,1048 17.98,1049 2.275,1050 11.035,1051 13.992,1052 0.237,1053 21.575,1054 10.753,1055 2.922,1056 10.431,1057 19.776,1058 2.11,1059 12.199,1060 15.536,1061 0.195,1062 23.907,1063 11.899,1064 2.753,1065 9.194,1066 21.582,1067 4.518,1068 13.204,1069 16.918,1070 0.158,1071 26.162,1072 12.887,1073 2.67,1074 8.884,1075 23.397,1076 3.97,1077 14.326,1078 18.423,1079 0.129,1080 28.479,1081 13.994,1082 2.488,1083 7.436,1084 25.219,1085 3.731,1086 15.38,1087 19.858,1088 0.104,1089 30.769,1090 15.034,1091 2.228,1092 6.972,1093 27.046,1094 3.441,1095 16.488,1096 21.35,1097 0.084,1098 33.086,1099 16.128,1100 2.102,1101 6.338,1102 28.879,1103 2.814,1104 17.569,1105 22.814,1106 0.068,1107 35.393,1108 17.195,1109 26505,1110 41366,1111 29.413,1112 45.637,1113 63.494,1114 62.518,1115 63.053,1116 62.765,1117 62.758,1118 82.03,1119 3.2,1120 176.692,1121 60.275,1122 5.568,1123 5.197,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 9.096,1132 1.512,1133 1.489,1134 1.501,1135 1.494,1136 1.494,1137 1.953,1138 0.076,1139 4.207,1140 1.435,1141 4.155,1142 4.193,1143 4.115,1144 4.063,1145 5.297,1146 4.071,1147 3.998,1148 4.03,1149 3.952,1150 3.904,1151 5.134,1152 3.906,1153 3.856,1154 3.926,1155 3.79,1156 3.657,1157 4.927,1158 3.669,1159 3.822,1160 3.897,1161 3.746,1162 3.58,1163 4.682,1164 3.618,1165 3.719,1166 3.765,1167 3.655,1168 3.492,1169 4.378,1170 3.531,1171 3.533,1172 3.604,1173 3.391,1174 3.371,1175 4.256,1176 3.371,1177 3.341,1178 3.411,1179 3.22,1180 3.19,1181 4.01,1182 3.186,1183 3.241,1184 3.316,1185 3.092,1186 3.079,1187 3.959,1188 3.074,1189 0.109,1190 0.076,1191 0.156,1192 0.098,1193 0.074,1194 4.568,1195 0.108,1196 3.197,1197 0.019,1198 6.566,1199 0.248,1200 4.099,1201 0.073,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.07,1210 2.065,1211 1.375,1212 2.069,1213 1.939,1214 1.912,1215 2.044,1216 2.046,1217 1.276,1218 2.045,1219 1.8,1220 1.733,1221 1.986,1222 1.983,1223 1.191,1224 1.99,1225 1.651,1226 1.593,1227 1.859,1228 1.828,1229 1.098,1230 1.842,1231 1.464,1232 1.398,1233 1.704,1234 1.685,1235 0.892,1236 1.689,1237 1.417,1238 1.346,1239 1.647,1240 1.672,1241 0.825,1242 1.656,1243 1.382,1244 1.318,1245 1.562,1246 1.605,1247 0.74,1248 1.6,1249 1.271,1250 1.208,1251 1.513,1252 1.482,1253 0.711,1254 1.488,1255 4.443,1257 5.759,1258 3.434,1259 7.252,1260 5.687,1261 8.824,1262 7.678,1263 10.44,1265 1.835,1271 10.076,1276 5.188,1280 43.208,1281 102.882,1282 250.869,1283 324.062,1284 360.733,1285 364.733,1286 372.733,1287 44.776,1288 8.824,1289 91.9,1290 91.9,1291 33,1292 12.779,1293 4.755,1294 3.807,1295 51.694,1296 238,1297 219,1298 0.102,1299 261.145,1300 432.05,1301 628.953,1302 119275,1304 25.029,1305 0.676,1306 0.572,1307 25.029,1308 21.176,1309 18.209,1310 0.434,1311 0.31,1312 12.814,1313 17.435,1314 12.543,1315 10.352,1316 18.209,1317 13.005,1318 16.233,1319 0.28,1320 0.169,1321 16.233,1322 9.793,1323 14.099,1324 0.183,1325 0.095,1326 14.099,1327 7.298,1328 11.672,1329 0.118,1330 0.052,1331 11.672,1332 5.113,1333 8.933,1334 0.076,1335 0.03,1336 8.933,1337 3.565,1338 0.171,1339 114.276,1340 0.184,1341 35.165,1342 0.252,1343 200,1344 521.584,1345 218.668,1346 509.737,1347 719.68,1348 482,1349 235,1350 560.316,1351 255.916,1352 563.432,1353 816.51,1354 530,1355 8.161} {0 CHEMBL163127,1 1.477,2 16.382,3 2.782,4 7.74,5 136.633,6 7.041,7 0.553,8 4.271,9 4.411,10 3.803,11 3.778,12 5.3,13 3.754,14 4.828,15 5.031,16 4.136,17 4.192,18 5.786,19 4.139,20 5.077,21 5.307,22 4.094,23 4.351,24 5.939,25 4.24,26 5.182,27 5.448,28 4.033,29 4.377,30 5.958,31 4.226,32 5.178,33 5.462,34 3.971,35 4.304,36 5.952,37 4.15,38 5.063,39 5.337,40 3.901,41 4.214,42 5.837,43 4.068,44 5.003,45 5.288,46 3.852,47 4.124,48 5.744,49 3.981,50 4.911,51 5.182,52 3.732,53 4.034,54 5.707,55 3.896,56 0.069,57 1.034,58 14.45,59 5.48,60 11.301,61 7.945,62 0.318,63 1.651,64 27.188,65 8.991,66 26.705,67 13.524,68 0.361,69 1.93,70 35.844,71 12.569,72 38.114,73 18.51,74 0.26,75 2.014,76 40.524,77 14.983,78 37.094,79 22.366,80 0.357,81 1.928,82 41.428,83 14.433,84 45.739,85 21.773,86 0.35,87 1.772,88 36.596,89 12.593,90 37.103,91 19.02,92 0.307,93 1.668,94 34.638,95 11.563,96 30.411,97 17.849,98 0.405,99 1.532,100 31.639,101 9.778,102 36.565,103 15.194,104 7,105 52,106 0.233,107 0.569,108 0.746,109 0.812,110 0.838,111 0.838,112 3.56,113 0.94,114 -4.44,115 -4.37,116 -4.12,119 40,120 1,121 2,125 6,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 9,171 2,172 5,174 1,176 6,178 9,181 1,182 5,186 5,189 7,193 10,197 2,199 5,203 10,206 1,211 4,215 8,218 2,222 2,226 6,229 2,233 1,236 2,237 5,244 3,249 1,252 2,256 5,259 2222,260 23.394,261 23.394,262 23.394,263 23.394,264 23.394,265 20.776,266 31.038,267 13.987,268 23.866,269 18.819,270 18.819,271 18.819,272 18.819,273 18.819,274 14.908,275 38.358,276 6.712,277 19.584,278 4.545,279 2.418,280 1.298,281 0.885,282 0.719,283 0.719,284 4.271,289 1,290 1234,291 3.536,294 188.668,295 355.092,298 161.661,302 2.654,303 18.207,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 72.5,315 557,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.197,327 6.095,328 3.724,329 2.763,330 3.731,331 0.916,332 8.884,333 2.673,334 4.073,335 3.064,336 5.648,337 3.689,338 2.751,339 3.653,340 0.8,341 7.873,342 2.578,343 3.723,344 2.885,345 5.454,346 3.551,347 2.606,348 2.93,349 0.172,350 7.295,351 2.45,352 3.561,353 2.778,354 5.276,355 3.327,356 2.364,357 2.813,358 0.149,359 6.805,360 2.275,361 3.429,362 2.514,363 5.128,364 3.059,365 2.086,366 2.625,368 6.009,369 2.026,370 3.296,371 2.2,372 4.917,373 2.978,374 2.007,375 2.587,377 5.752,378 1.943,379 3.247,380 2.151,381 4.514,382 2.781,383 1.786,384 2.443,386 4.655,387 1.758,388 3.054,389 1.795,390 4.39,391 2.728,392 1.771,393 2.095,395 4.476,396 1.689,397 2.741,398 1.369,399 4.133,400 2.311,401 1.326,402 1.846,404 3.481,405 1.304,406 2.5,407 1.163,408 3.474,409 2.087,410 1.124,411 1.5,413 2.536,414 1.08,415 2.427,416 1.146,417 3.414,418 2,419 1,420 1.401,422 2.275,423 1,424 2.257,425 1,426 3.414,427 1.967,428 1,429 1.198,431 2.275,432 0.965,433 2.118,434 0.937,435 3.318,436 1.861,437 0.896,438 1,440 2.099,441 0.862,442 2,443 0.775,444 3.181,445 1.566,446 0.618,447 0.927,449 1.477,450 0.581,451 16.133,452 0.475,453 0.708,454 0.021,455 43,456 1.265,457 20,458 0.588,459 23,460 0.676,461 29.851,462 0.878,463 36.667,464 0.564,465 31.039,466 0.913,467 8.537,468 0.251,469 8.099,470 0.238,471 0.052,473 0.291,479 0.815,480 1.47,481 0.831,482 1.156,483 0.551,484 1.017,485 1.008,486 1.075,487 0.963,488 0.944,489 0.54,490 0.936,491 1.126,492 1.016,493 1.148,494 1.07,495 1.031,496 1.107,497 0.62,498 1.069,499 0.967,500 1.132,501 0.455,502 1.099,503 0.749,504 0.946,505 0.905,506 0.988,507 0.744,508 0.972,509 0.795,510 0.987,511 0.982,512 1.034,513 0.735,514 1.033,515 0.66,516 1.041,517 0.896,518 1.018,519 0.424,520 0.987,521 1.081,522 0.987,523 1.137,524 1.012,525 0.953,526 1.065,527 6.5,528 0.14,529 3.111,530 1.382,531 1.388,532 0.771,533 0.686,534 0.305,535 0.201,536 0.209,537 21626,538 52779,539 2.163,540 47.7,541 2,542 19,543 1,544 2,545 2,546 3,547 2,550 1.751,551 2.082,552 3.959,553 0.177,559 96.011,560 1.477,561 3.604,562 4.724,563 5.138,564 5.303,565 5.303,566 3.4,567 4.374,568 5.058,569 4.188,570 2349.24,571 8.818,572 39627.8,577 391.454,578 1.166,579 5.043,580 0.171,581 0.005,582 0.06,583 0.029,584 0.032,585 0.019,586 0.018,587 0.008,588 0.006,589 0.007,590 0.355,591 0.17,592 0.88,593 0.689,594 188.939,595 0.043,596 -0.22,597 0.077,598 -0.081,599 0.049,600 -0.013,601 -0.004,602 0.085,603 -0.006,604 0.054,605 0.102,606 0.031,607 -0.175,608 0.031,609 -0.189,610 -0.052,611 -0.11,612 -0.112,613 0.018,614 -0.121,615 -0.019,616 -0.097,617 0.079,618 -0.067,619 0.033,620 -0.036,621 0.071,622 0.016,623 0.038,624 0.043,625 0.015,626 -0.039,627 -0.008,628 -0.036,629 -0.023,630 -0.029,631 0.087,632 -0.099,633 0.081,634 -0.035,635 0.058,636 0.013,637 -0.077,638 0.001,639 -0.143,640 -0.06,641 -0.118,642 -0.101,643 1.703,644 4.172,645 0.765,646 44.945,647 0.995,648 1.134,649 3.208,650 10.291,651 0.656,652 3.664,653 3.97,654 4.22,655 4.477,656 4.654,657 4.727,658 4.89,659 5.004,660 5.037,661 5.1,662 9.553,663 0.618,664 457.64,665 3.664,666 5.198,667 6.038,668 6.903,669 7.757,670 8.625,671 9.486,672 10.357,673 11.223,674 12.096,675 10.8,678 2,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 65,716 22,717 2,718 38,720 69,721 26,722 16,723 5,724 7,730 5,731 6,736 1,743 2,745 17,746 9,750 1,755 1,759 1,764 31,765 6,766 2,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,815 2,819 4,823 1,827 34,833 8,834 1,838 2,844 1,847 1.5,850 1,854 16.333,855 11.75,856 7.417,857 3.977,858 3.765,859 1.448,860 1.013,861 7.048,862 12.163,863 3.922,864 4.5,865 5.058,866 5.651,867 6.1,868 6.436,869 6.879,870 7.278,871 7.438,872 7.653,873 0.909,874 48,875 12.543,877 5.256,878 7.549,879 24.651,881 20.48,883 2.049,884 69.667,888 341.362,889 140.453,890 76.27,892 25.145,895 140.453,896 366.507,897 76.27,898 8.825,899 35.714,900 75.381,901 103.955,902 39.391,903 13.915,904 306.049,906 341.362,907 216.723,908 25.145,911 317.82,912 48.687,915 86.71,916 96.688,917 33.326,919 341.362,920 101.415,921 140.453,924 341.362,925 39.01,926 109.591,927 34.796,928 58.471,929 341.362,930 101.415,931 140.453,933 0.576,934 0.324,935 0.177,936 0.092,937 25,938 10,939 0.116,940 8,941 1,942 1.077,943 4.812,944 303.628,945 0.077,946 26,947 160.974,951 22.788,952 10.517,953 5.755,954 2.45,955 82.73,956 20.203,957 7.828,958 3.409,961 4.587,962 1.938,963 34.796,964 583.23,965 49.5,970 11.172,974 -0.037,975 64.643,976 73.68,977 0.245,978 0.598,979 0.784,980 0.853,981 0.881,982 0.881,983 5.149,984 1.786,985 5.999,986 5.752,987 4.654,988 5.187,989 2.253,990 6.76,991 4.579,992 6.329,993 1.771,994 7.52,995 4.655,996 4.111,997 4.89,998 1.738,999 7.535,1000 4.004,1001 7.615,1002 1.326,1003 9.136,1004 4.476,1005 6.201,1006 7.351,1007 2.979,1008 10.606,1009 6.051,1010 8.936,1011 1.124,1012 10.81,1013 3.481,1014 6.494,1015 7.957,1016 3.069,1017 12.243,1018 6.312,1019 10.29,1020 1,1021 12.523,1022 2.536,1023 8.007,1024 9.847,1025 4.054,1026 14.806,1027 7.792,1028 11.669,1029 1,1030 14.262,1031 2.275,1032 8.698,1033 10.898,1034 4.417,1035 16.819,1036 8.456,1037 13.067,1038 0.896,1039 16.023,1040 2.275,1041 9.97,1042 12.552,1043 5.254,1044 19.213,1045 9.701,1046 3.118,1047 0.618,1048 17.8,1049 2.099,1050 10.863,1051 13.829,1052 5.751,1053 21.398,1054 10.574,1055 2.763,1056 10.431,1057 19.591,1058 1.477,1059 12.029,1060 15.384,1061 6.502,1062 23.739,1063 11.719,1064 2.751,1065 8.884,1066 21.392,1067 4.518,1068 13.026,1069 16.774,1070 7.069,1071 26.002,1072 12.7,1073 2.606,1074 7.873,1075 23.204,1076 3.731,1077 14.15,1078 18.29,1079 7.771,1080 28.329,1081 13.807,1082 2.364,1083 7.295,1084 25.023,1085 3.653,1086 15.201,1087 19.735,1088 8.375,1089 30.63,1090 14.844,1091 2.086,1092 6.805,1093 26.85,1094 2.93,1095 16.311,1096 21.238,1097 9.051,1098 32.957,1099 15.94,1100 2.007,1101 6.009,1102 28.683,1103 2.813,1104 17.391,1105 22.711,1106 9.674,1107 35.276,1108 17.008,1109 19946,1110 31321,1111 26.235,1112 42.631,1113 56.971,1114 56.816,1115 56.746,1116 56.279,1117 56.315,1118 72.94,1119 7.89,1120 157.046,1121 54.252,1122 5.568,1123 5.533,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 12.156,1132 1.499,1133 1.495,1134 1.493,1135 1.481,1136 1.482,1137 1.919,1138 0.208,1139 4.133,1140 1.428,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 7.43,1146 4.07,1147 3.963,1148 4.009,1149 3.893,1150 3.874,1151 5.135,1152 3.873,1153 3.836,1154 3.909,1155 3.789,1156 3.639,1157 4.927,1158 3.651,1159 3.801,1160 3.869,1161 3.699,1162 3.573,1163 4.75,1164 3.609,1165 3.555,1166 3.616,1167 3.449,1168 3.372,1169 4.367,1170 3.376,1171 3.492,1172 3.549,1173 3.36,1174 3.295,1175 4.255,1176 3.311,1177 3.287,1178 3.355,1179 3.181,1180 3.118,1181 4.034,1182 3.123,1183 3.14,1184 3.225,1185 2.991,1186 2.959,1187 3.925,1188 2.954,1189 0.12,1190 0.093,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.533,1197 0.05,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.066,1210 2.069,1211 1.368,1212 2.072,1213 1.929,1214 1.897,1215 2.039,1216 2.048,1217 1.259,1218 2.046,1219 1.784,1220 1.718,1221 1.971,1222 1.97,1223 1.146,1224 1.974,1225 1.64,1226 1.581,1227 1.848,1228 1.822,1229 1.082,1230 1.834,1231 1.457,1232 1.404,1233 1.708,1234 1.707,1235 0.825,1236 1.704,1237 1.404,1238 1.333,1239 1.582,1240 1.66,1241 0.762,1242 1.64,1243 1.314,1244 1.247,1245 1.513,1246 1.524,1247 0.715,1248 1.526,1249 1.153,1250 1.064,1251 1.488,1252 1.442,1253 0.614,1254 1.429,1255 4.344,1257 5.652,1258 3.045,1259 7.138,1260 5.283,1261 8.706,1262 7.286,1263 10.319,1265 1.532,1271 8.674,1272 2.823,1276 5.087,1280 40.186,1281 96.011,1282 234.263,1283 307.073,1284 333.944,1285 344.699,1286 344.699,1287 45.292,1288 8.399,1289 82.08,1290 82.08,1291 28,1292 12.639,1293 4.524,1294 3.644,1295 50.581,1296 199,1297 190,1298 0.121,1299 245.487,1300 412.35,1301 590.748,1302 67062,1304 23.33,1305 0.686,1306 0.576,1307 23.33,1308 19.575,1309 16.636,1310 0.438,1311 0.313,1312 11.734,1313 15.973,1314 11.461,1315 9.482,1316 16.636,1317 11.902,1318 14.949,1319 0.287,1320 0.173,1321 14.949,1322 9.012,1323 12.26,1324 0.183,1325 0.098,1326 12.26,1327 6.534,1328 10.361,1329 0.119,1330 0.054,1331 10.361,1332 4.687,1333 8.033,1334 0.077,1335 0.032,1336 8.033,1337 3.284,1338 0.201,1339 104.056,1340 0.195,1341 32.633,1342 0.304,1343 180,1344 462.627,1345 195.453,1346 454.6,1347 630.54,1348 428,1349 209,1350 473.366,1351 225.177,1352 481.55,1353 694.24,1354 452,1355 8.409} {0 CHEMBL163151,1 1.383,2 13.839,3 4.389,4 19.264,5 127.535,6 6.797,7 0.457,8 4.197,9 4.332,10 3.703,11 3.761,12 5.165,13 3.717,14 4.771,15 4.963,16 4.046,17 4.185,18 5.68,19 4.111,20 5.051,21 5.291,22 4.033,23 4.313,24 5.902,25 4.188,26 5.073,27 5.33,28 3.943,29 4.266,30 5.912,31 4.123,32 5.039,33 5.308,34 3.902,35 4.193,36 5.889,37 4.057,38 4.914,39 5.155,40 3.901,41 4.178,42 5.746,43 4.055,44 4.937,45 5.18,46 3.839,47 4.196,48 5.718,49 4.05,50 4.965,51 5.25,52 3.662,53 4.095,54 5.699,55 3.914,56 0.088,57 0.909,58 13.924,59 5.712,60 7.964,61 8.044,62 0.236,63 1.525,64 25.929,65 9.514,66 20.387,67 13.905,68 0.318,69 1.856,70 35.323,71 13.003,72 34.011,73 19.034,74 0.267,75 1.818,76 36.478,77 13.628,78 37.035,79 19.795,80 0.344,81 1.715,82 35.863,83 12.965,84 46.064,85 18.731,86 0.242,87 1.601,88 30.819,89 11.537,90 31.696,91 16.716,92 0.21,93 1.671,94 31.266,95 11.778,96 23.787,97 17.353,98 0.259,99 1.604,100 33.016,101 12.297,102 30.774,103 18.178,104 2,105 48,106 0.222,107 0.562,108 0.743,109 0.838,110 0.852,111 0.852,112 3.471,113 0.976,114 -4.9,115 -4.81,116 -4.51,119 42.6,121 4,125 5,134 1,135 1,140 8,141 4,149 1,150 1,156 1,166 1,169 16,172 6,174 1,176 4,178 17,181 1,182 5,186 7,189 14,193 6,197 4,199 10,203 8,206 1,208 3,211 8,215 6,220 4,222 9,226 4,231 4,233 9,237 5,240 1,242 1,244 12,249 2,253 1,254 1,256 13,259 1735,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.391,266 20.798,267 12.905,268 21.837,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.973,275 22.054,276 6.172,277 17.692,278 4.548,279 2.431,280 1.303,281 0.713,282 0.623,283 0.623,284 4.184,288 1,289 1,290 957,291 3.162,294 168.859,295 302.383,298 137.264,302 2.306,303 17.246,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 429,316 4.568,317 3.566,318 6.566,319 4.109,320 3.12,321 4.515,322 0.98,323 10.433,324 3.087,325 4.163,326 3.201,327 6.105,328 3.846,329 2.852,330 3.675,331 0.8,332 8.923,333 2.835,334 4.102,335 2.991,336 6.044,337 3.74,338 2.741,339 3.553,340 0.657,341 8.668,342 2.733,343 3.565,344 2.833,345 5.368,346 3.466,347 2.536,348 2.763,350 7.028,351 2.36,352 3.491,353 2.555,354 5.309,355 3.297,356 2.337,357 2.652,359 6.833,360 2.238,361 3.346,362 2.179,363 5.104,364 2.965,365 1.979,366 2.506,368 5.94,369 1.948,370 3.194,371 2.143,372 4.439,373 2.75,374 1.745,375 2.403,377 4.4,378 1.746,379 2.944,380 1.646,381 4.185,382 2.473,383 1.492,384 2.041,386 3.854,387 1.462,388 2.691,389 1.401,390 4.089,391 2.326,392 1.339,393 1.755,395 3.362,396 1.32,397 2.529,398 1.396,399 3.521,400 2.157,401 1.177,402 1.5,404 2.743,405 1.151,406 2.5,407 1.323,408 3.445,409 2.031,410 1.022,411 1.457,413 2.461,414 1.024,415 2.345,416 1.235,417 3.414,418 2,419 1,420 1.328,422 2.275,423 1,424 2.137,425 1,426 3.261,427 1.984,428 1,429 1.048,431 2.136,432 0.983,433 2.058,434 0.857,435 3.247,436 1.729,437 0.768,438 0.997,440 1.804,441 0.737,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 14.933,452 0.482,453 0.585,454 0.019,455 36.75,456 1.185,457 17,458 0.548,459 19.75,460 0.637,461 28.224,462 0.91,463 33.067,464 0.542,465 26.14,466 0.843,467 7.1,468 0.229,469 8.159,470 0.263,471 0.022,473 0.288,479 0.769,480 1.23,481 0.869,482 1.051,483 0.556,484 0.979,485 1.001,486 1.133,487 1.011,488 1.005,489 0.562,490 0.997,491 0.977,492 1.057,493 1.055,494 1.046,495 0.756,496 1.051,497 1.015,498 1.08,499 1.013,500 1.076,501 1.081,502 1.05,503 1.254,504 0.914,505 0.93,506 0.894,507 1.547,508 0.892,509 1.094,510 1.065,511 1.007,512 1.004,513 1.135,514 1.002,515 0.829,516 1.195,517 1.151,518 1.192,519 0.533,520 1.193,521 0.721,522 0.989,523 0.997,524 1.042,525 0.543,526 1.041,527 5,528 0.094,529 3.333,530 1.389,531 1.192,532 0.951,533 0.462,534 0.265,535 0.321,536 0.138,537 15639,538 31920,539 2.2,540 49.2,542 19,543 1,545 2,547 8,550 1.732,551 2.138,552 3.739,553 0.129,555 1,559 84.357,560 1.383,561 3.5,562 4.627,563 5.217,564 5.308,565 5.308,566 3.26,567 4.349,568 4.921,569 3.934,570 1829.24,571 8.573,572 27237.9,574 1,577 361.775,578 1.058,579 4.918,580 0.143,581 0.004,582 0.069,583 0.031,584 0.03,585 0.024,586 0.012,587 0.007,588 0.011,589 0.005,590 0.336,591 0.33,592 0.88,593 0.32,594 164.311,595 0.075,596 -0.029,597 0.071,598 0.008,599 0.019,600 0.032,601 -0.014,602 0.01,603 -0.041,604 -0.005,605 0.059,606 -0.02,607 -0.017,608 -0.026,609 -0.078,610 -0.06,611 0.062,612 -0.07,613 -0.028,614 -0.108,615 -0.031,616 -0.087,617 -0.004,618 -0.063,619 -0.026,620 0.031,621 0.076,622 0.079,623 -0.055,624 0.083,625 -0.088,626 -0.058,627 -0.028,628 -0.008,629 -0.097,630 -0.014,631 -0.089,632 -0.162,633 -0.192,634 -0.199,635 -0.073,636 -0.203,637 0.033,638 -0.041,639 -0.024,640 -0.067,641 0.052,642 -0.052,643 1.714,644 5.395,645 0.839,646 38.672,647 0.987,648 1.125,649 3.669,650 13.464,651 0.662,652 3.584,653 3.892,654 4.174,655 4.419,656 4.595,657 4.682,658 4.86,659 5.017,660 5.124,661 5.242,662 8.052,663 0.617,664 414.6,665 3.584,666 5.118,667 5.969,668 6.834,669 7.698,670 8.568,671 9.438,672 10.312,673 11.186,674 12.063,675 6.6,678 2,682 1,683 1,687 2,688 9,690 1,693 3,695 16,714 61,716 18,717 2,718 35,720 65,721 26,722 14,723 4,724 8,725 3,730 5,731 6,740 3,743 4,745 17,746 9,750 2,755 1,757 1,759 2,761 1,764 30,765 4,766 2,767 5,773 4,776 1,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,827 31,833 9,834 1,838 2,847 1.6,850 1,854 14.5,855 10.65,856 6.778,857 3.939,858 3.293,859 1.403,860 1.029,861 6.099,862 11.473,863 3.829,864 4.391,865 4.972,866 5.529,867 6.012,868 6.313,869 6.745,870 7.097,871 7.252,872 7.532,873 1,874 45,875 11.518,877 4.918,878 7.473,879 22.899,881 19.511,883 1.973,884 61.167,887 1,888 329.591,889 137.164,890 40.8,892 25.145,895 137.164,896 354.736,897 40.8,899 38.555,900 94.334,901 29.85,902 38.227,903 13.915,904 317.82,906 329.591,907 177.964,908 25.145,911 235.422,912 119.314,915 61.467,916 107.021,917 9.476,919 329.591,920 65.945,921 137.164,924 329.591,925 42.831,926 100.46,927 34.674,928 25.145,929 329.591,930 65.945,931 137.164,933 0.577,934 0.338,935 0.181,936 0.09,937 24,938 9,939 0.092,940 6,941 1,942 1.077,943 4.49,944 277.224,945 0.077,946 26,947 145.58,951 20.35,952 9.291,953 4.705,954 2.561,955 49.159,956 18.324,958 3.444,961 3.4,963 34.674,964 532.7,965 45,970 12.395,972 2.243,974 1.313,975 60.221,976 68.6,977 0.233,978 0.59,979 0.78,980 0.88,981 0.895,982 0.895,983 5.063,984 1.492,985 5.927,986 4.4,987 4.575,988 5.078,989 1.557,990 6.703,991 4.535,992 6.236,993 1.339,994 7.459,995 3.854,996 4.007,997 4.771,998 0.325,999 7.516,1000 3.953,1001 7.525,1002 1.177,1003 9.09,1004 3.362,1005 6.133,1006 7.237,1007 1.302,1008 10.606,1009 6.059,1010 8.851,1011 1.022,1012 10.782,1013 2.743,1014 6.447,1015 7.858,1016 0.268,1017 12.284,1018 6.366,1019 10.215,1020 1,1021 12.515,1022 2.461,1023 7.97,1024 9.752,1025 1.163,1026 14.853,1027 7.872,1028 11.604,1029 1,1030 14.274,1031 2.275,1032 8.689,1033 10.819,1034 0.188,1035 16.886,1036 8.589,1037 13.013,1038 0.768,1039 16.054,1040 2.136,1041 9.963,1042 12.478,1043 1.078,1044 19.282,1045 9.849,1046 3.12,1047 0.618,1048 17.847,1049 1.804,1050 10.878,1051 13.766,1052 0.125,1053 21.471,1054 10.763,1055 2.852,1056 10.433,1057 19.652,1058 1.372,1059 12.046,1060 15.326,1061 1.018,1062 23.81,1063 11.921,1064 2.741,1065 8.923,1066 21.466,1067 4.515,1068 13.058,1069 16.723,1070 0.082,1071 26.07,1072 12.93,1073 2.536,1074 8.668,1075 23.287,1076 3.675,1077 14.185,1078 18.243,1079 0.974,1080 28.393,1081 14.048,1082 2.337,1083 7.028,1084 25.115,1085 3.553,1086 15.244,1087 19.693,1088 0.054,1089 30.688,1090 15.104,1091 1.979,1092 6.833,1093 26.947,1094 2.763,1095 16.357,1096 21.2,1097 0.937,1098 33.01,1099 16.208,1100 1.745,1101 5.94,1102 28.784,1103 2.652,1104 17.442,1105 22.676,1106 0.035,1107 35.323,1108 17.287,1109 14301,1110 20592,1111 24.444,1112 40.375,1113 52.411,1114 53.404,1115 52.289,1116 52.135,1117 52.155,1118 66.436,1119 4.874,1120 146.154,1121 51.131,1122 5.519,1123 5.566,1124 6.368,1125 5.149,1126 5.12,1127 7.515,1128 1.96,1129 17.105,1130 5.087,1131 7.409,1132 1.497,1133 1.526,1134 1.494,1135 1.49,1136 1.49,1137 1.898,1138 0.139,1139 4.176,1140 1.461,1141 4.149,1142 4.183,1143 4.105,1144 4.073,1145 7.429,1146 4.077,1147 3.929,1148 3.964,1149 3.868,1150 3.85,1151 4.966,1152 3.848,1153 3.849,1154 3.917,1155 3.736,1156 3.709,1157 4.73,1158 3.709,1159 3.806,1160 3.859,1161 3.699,1162 3.665,1163 4.507,1164 3.664,1165 3.467,1166 3.524,1167 3.372,1168 3.335,1169 4.34,1170 3.329,1171 3.324,1172 3.386,1173 3.219,1174 3.107,1175 4.207,1176 3.134,1177 3.207,1178 3.27,1179 3.069,1180 3.014,1181 3.898,1182 3.02,1183 3.035,1184 3.127,1185 2.814,1186 2.873,1187 3.799,1188 2.846,1189 0.131,1190 0.102,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.566,1197 0.028,1198 6.566,1199 0.298,1200 4.109,1201 0.088,1202 3.12,1203 4.515,1204 0.98,1205 10.433,1206 3.087,1207 1.994,1208 1.971,1209 2.089,1210 2.079,1211 1.331,1212 2.084,1213 1.901,1214 1.876,1215 2.017,1216 1.996,1217 1.23,1218 2.002,1219 1.745,1220 1.696,1221 1.921,1222 1.902,1223 1.211,1224 1.912,1225 1.665,1226 1.602,1227 1.86,1228 1.87,1229 1.079,1230 1.869,1231 1.577,1232 1.507,1233 1.852,1234 1.751,1235 1.061,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.659,1241 0.872,1242 1.658,1243 1.226,1244 1.183,1245 1.436,1246 1.491,1247 0.692,1248 1.462,1249 1.109,1250 1.039,1251 1.414,1252 1.343,1253 0.536,1254 1.371,1255 4.263,1257 5.572,1258 3.045,1259 7.069,1260 5.283,1261 8.647,1262 7.273,1263 10.27,1271 9.893,1272 3.025,1276 4.569,1280 37.649,1281 84.357,1282 213.497,1283 282.265,1284 318.265,1285 323.775,1286 323.775,1287 42.391,1288 8.18,1289 51.37,1290 51.37,1291 28,1292 12.602,1293 4.248,1294 3.459,1295 43.894,1296 149,1297 144,1298 0.14,1299 228.031,1300 392.89,1301 548.156,1302 47281,1304 21.045,1305 0.679,1306 0.579,1307 21.045,1308 17.94,1309 15.259,1310 0.436,1311 0.325,1312 11.281,1313 14.855,1314 11.059,1315 9.116,1316 15.259,1317 11.389,1318 13.454,1319 0.28,1320 0.179,1321 13.454,1322 8.605,1323 11.741,1324 0.183,1325 0.102,1326 11.741,1327 6.539,1328 9.732,1329 0.119,1330 0.057,1331 9.732,1332 4.7,1333 7.437,1334 0.076,1335 0.031,1336 7.437,1337 3.025,1338 0.227,1339 94.219,1340 0.202,1341 29.794,1342 0.367,1343 166,1344 379.691,1345 176.152,1346 376.606,1347 528.78,1348 356,1349 195,1350 398.172,1351 206.319,1352 406.499,1353 594.61,1354 385,1355 8.066} {0 CHEMBL1631532,1 1.468,2 13.9,3 4.087,4 16.701,5 119.123,6 6.975,7 0.515,8 4.145,9 4.272,10 3.664,11 3.667,12 5.179,13 3.639,14 4.701,15 4.894,16 3.999,17 4.054,18 5.713,19 4,20 4.934,21 5.156,22 4.039,23 4.235,24 5.838,25 4.142,26 5.037,27 5.277,28 3.967,29 4.263,30 5.898,31 4.13,32 5.074,33 5.341,34 3.914,35 4.234,36 5.878,37 4.092,38 4.994,39 5.253,40 3.816,41 4.155,42 5.811,43 4.005,44 4.934,45 5.212,46 3.64,47 4.024,48 5.709,49 3.862,50 4.758,51 5.025,52 3.499,53 3.882,54 5.537,55 3.717,56 0.033,57 0.853,58 12.828,59 5.244,60 8.329,61 7.274,62 0.418,63 1.381,64 24.427,65 8.288,66 35.546,67 12.087,68 0.299,69 1.705,70 30.996,71 10.864,72 31.115,73 15.888,74 0.269,75 1.771,76 34.776,77 13.108,78 40.691,79 18.896,80 0.315,81 1.765,82 37.038,83 13.349,84 40.727,85 19.529,86 0.278,87 1.657,88 33.838,89 12.275,90 37.134,91 17.992,92 0.361,93 1.505,94 32.746,95 11.151,96 40.772,97 16.481,98 0.349,99 1.274,100 27.137,101 9.501,102 31.652,103 14.052,104 13,105 45,106 0.239,107 0.545,108 0.726,109 0.849,110 0.86,111 0.86,112 3.44,113 0.945,114 -3.58,115 -3.55,116 -3.39,119 41.4,120 1,121 1,124 1,125 5,140 9,141 2,142 2,144 2,157 1,169 9,171 1,172 7,174 2,176 2,178 11,181 1,182 5,186 2,189 7,192 1,193 9,197 2,199 6,203 8,211 2,215 9,218 1,222 1,225 1,226 4,233 2,236 2,237 1,244 4,249 3,252 1,256 8,259 1472,260 20.541,261 20.541,262 20.541,263 20.541,264 20.541,265 18.375,266 25.678,267 12.201,268 21.058,269 16.252,270 16.252,271 16.252,272 16.252,273 16.252,274 12.933,275 34.565,276 5.761,277 16.954,278 4.39,279 2.513,280 1.401,281 0.647,282 0.578,283 0.578,284 4.14,288 1,289 1,290 903,291 3.317,295 371.393,299 143.383,302 2.12,303 18.483,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 417,316 4.551,317 3.642,318 6.695,319 4.108,320 3.139,321 4.474,322 2.186,323 10.856,324 3.046,325 4.096,326 3.28,327 5.808,328 3.721,329 2.745,330 3.684,331 0.8,332 8.009,333 2.683,334 3.856,335 2.918,336 5.65,337 3.577,338 2.639,339 3.249,340 0.8,341 7.89,342 2.469,343 3.656,344 2.79,345 5.34,346 3.353,347 2.407,348 2.875,349 0.366,350 6.933,351 2.271,352 3.523,353 2.622,354 5.137,355 3.24,356 2.285,357 2.734,359 6.361,360 2.165,361 3.343,362 2.274,363 4.96,364 3.002,365 2.04,366 2.52,368 5.729,369 1.955,370 3.214,371 2.208,372 4.66,373 2.837,374 1.864,375 2.402,377 4.997,378 1.799,379 3.027,380 1.651,381 4.557,382 2.573,383 1.596,384 2.241,386 4.488,387 1.558,388 2.776,389 1.476,390 4.036,391 2.398,392 1.418,393 1.846,395 3.466,396 1.385,397 2.669,398 1.461,399 3.504,400 2.205,401 1.212,402 1.742,404 2.654,405 1.202,406 2.257,407 1.279,408 3.414,409 1.967,410 1,411 1.168,413 2.275,414 0.965,415 2,416 1.146,417 3.372,418 1.839,419 0.859,420 1,422 2.036,423 0.84,424 1.766,425 0.912,426 3.19,427 1.601,428 0.624,429 0.698,431 1.506,432 0.608,433 1.507,434 0.733,435 2.824,436 1.244,437 0.382,438 0.409,440 0.557,441 0.326,442 1.178,443 0.458,444 2.625,445 0.803,446 -0.175,447 -0.202,449 -0.429,450 -0.171,451 14.267,452 0.476,453 0.639,454 0.021,455 38.25,456 1.275,457 18.5,458 0.617,459 19.75,460 0.658,461 25.328,462 0.844,463 32.533,464 0.561,465 27.983,466 0.933,467 7.729,468 0.258,469 6.89,470 0.23,471 0.093,473 0.301,479 0.817,480 1.454,481 0.838,482 1.177,483 0.604,484 1.032,485 0.934,486 1.072,487 0.935,488 0.881,489 0.504,490 0.894,491 0.967,492 1.039,493 1.075,494 1.002,495 0.75,496 1.029,497 0.776,498 1.119,499 1.041,500 1.148,501 0.872,502 1.132,503 0.834,504 0.976,505 0.95,506 0.983,507 0.774,508 0.98,509 0.764,510 1.096,511 1.046,512 1.135,513 0.746,514 1.125,515 0.99,516 0.954,517 1.058,518 0.982,519 0.975,520 1.021,521 0.807,522 1.016,523 1.083,524 1.058,525 0.839,526 1.1,527 6,528 0.124,529 2.889,530 1.625,531 1.511,532 0.778,533 0.584,534 0.359,535 0.201,536 0.182,537 13467,538 33208,539 2.107,540 48.3,542 22,545 1,546 3,547 2,550 1.722,551 2,552 3.727,553 -0.382,555 1,559 85.118,560 1.468,561 3.345,562 4.457,563 5.211,564 5.28,565 5.28,566 3.219,567 4.482,568 4.878,569 3.908,570 1700.12,571 8.473,572 24918.1,574 1,577 339.763,578 1.295,579 4.851,580 0.182,581 0.005,582 0.064,583 0.035,584 0.037,585 0.02,586 0.017,587 0.013,588 0.008,589 0.008,590 0.39,591 0.5,592 1,593 0.986,594 157.765,595 -0.002,596 -0.244,597 0.07,598 -0.095,599 -0.008,600 -0.019,601 0.155,602 0.066,603 0.038,604 0.107,605 0.193,606 0.066,607 -0.12,608 0.063,609 -0.119,610 -0.016,611 -0.037,612 -0.055,613 -0.018,614 -0.118,615 -0.091,616 -0.136,617 -0.004,618 -0.127,619 -0.034,620 -0.021,621 0.02,622 0.007,623 -0.006,624 0.019,625 -0.009,626 -0.118,627 -0.086,628 -0.146,629 -0.044,630 -0.129,631 -0.075,632 -0.008,633 -0.069,634 -0.022,635 -0.109,636 -0.043,637 0.046,638 -0.056,639 -0.108,640 -0.084,641 -0.055,642 -0.114,643 2.109,644 4.394,645 0.733,646 32.604,647 0.994,648 1.127,649 2.347,650 5.51,651 0.656,652 3.526,653 3.829,654 4.078,655 4.331,656 4.585,657 4.615,658 4.727,659 4.836,660 4.913,661 4.942,662 7.983,663 0.618,664 404.56,665 3.526,666 5.056,667 5.894,668 6.76,669 7.615,670 8.487,671 9.349,672 10.224,673 11.09,674 11.967,675 6.9,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,710 1,714 58,716 18,717 2,718 33,720 61,721 24,722 15,723 5,724 7,730 4,731 5,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,764 28,765 6,766 1,767 6,773 4,777 0.75,778 2,786 1,793 4,797 1,815 1,819 3,823 2,827 30,833 6,834 1,835 1,838 2,847 3.4,850 1,852 1,854 15,855 10.933,856 6.667,857 3.497,858 3.401,859 1.431,860 0.987,861 6.508,862 11.297,863 3.773,864 4.344,865 4.892,866 5.471,867 6.034,868 6.246,869 6.56,870 6.884,871 7.138,872 7.017,873 1,874 46,875 11.077,877 4.584,878 7.589,879 21.636,881 17.655,883 2.089,884 62.667,886 1,887 1,888 317.82,889 140.993,890 41.045,892 36.145,895 140.993,896 353.965,897 41.045,898 19.708,899 31.074,900 85.286,901 41.93,902 33.421,903 6.763,904 317.82,906 317.82,907 182.038,908 36.145,911 294.278,912 59.687,915 47.924,916 117.328,917 16.786,919 317.82,920 77.19,921 140.993,924 317.82,925 35.998,926 111.243,927 18.011,928 52.93,929 317.82,930 77.19,931 140.993,933 0.574,934 0.331,935 0.176,936 0.101,937 21,938 9,939 0.098,940 6,941 1,942 1.091,943 4.274,944 258.142,945 0.091,946 22,947 141.207,951 20.641,952 9.459,953 5.119,954 2.293,955 77.19,956 18.627,957 4.668,961 4.308,963 18.011,964 536.002,965 42.5,970 11.394,974 -0.443,975 57.665,976 65.394,977 0.251,978 0.571,979 0.761,980 0.89,981 0.901,982 0.901,983 4.999,984 1.596,985 5.861,986 4.997,987 4.511,988 5.03,989 2.438,990 6.632,991 4.433,992 6.181,993 1.418,994 7.391,995 4.488,996 4.007,997 4.783,998 1.905,999 7.445,1000 3.882,1001 7.471,1002 1.212,1003 9.017,1004 3.466,1005 6.066,1006 7.199,1007 3.518,1008 10.529,1009 5.911,1010 8.793,1011 1,1012 10.7,1013 2.654,1014 6.365,1015 7.789,1016 3.607,1017 12.201,1018 6.163,1019 10.148,1020 0.859,1021 12.423,1022 2.275,1023 7.879,1024 9.693,1025 4.909,1026 14.81,1027 7.655,1028 11.525,1029 0.624,1030 14.174,1031 2.036,1032 8.574,1033 10.716,1034 5.291,1035 16.875,1036 8.311,1037 12.922,1038 0.382,1039 15.948,1040 1.506,1041 9.853,1042 12.394,1043 6.388,1044 19.326,1045 9.568,1046 3.139,1047 -0.175,1048 17.741,1049 0.557,1050 10.756,1051 13.649,1052 6.93,1053 21.569,1054 10.438,1055 2.745,1056 10.856,1057 19.549,1058 -0.429,1059 11.932,1060 15.222,1061 7.902,1062 23.97,1063 11.592,1064 2.639,1065 8.009,1066 21.371,1067 4.474,1068 12.943,1069 16.597,1070 8.539,1071 26.291,1072 12.573,1073 2.407,1074 7.89,1075 23.204,1076 3.684,1077 14.08,1078 18.123,1079 9.436,1080 28.678,1081 13.686,1082 2.285,1083 6.933,1084 25.048,1085 3.249,1086 15.146,1087 19.558,1088 10.13,1089 31.034,1090 14.725,1091 2.04,1092 6.361,1093 26.899,1094 2.875,1095 16.27,1096 21.064,1097 10.981,1098 33.417,1099 15.824,1100 1.864,1101 5.729,1102 28.759,1103 2.734,1104 17.367,1105 22.529,1106 11.71,1107 35.788,1108 16.893,1109 12787,1110 20197,1111 22.364,1112 38.069,1113 48.422,1114 49.808,1115 49.93,1116 48.348,1117 48.423,1118 62.086,1119 8.305,1120 135.514,1121 46.547,1122 5.551,1123 5.642,1124 6.257,1125 5.176,1126 5.139,1127 7.474,1128 3.889,1129 18.031,1130 5.046,1131 13.294,1132 1.467,1133 1.509,1134 1.513,1135 1.465,1136 1.467,1137 1.881,1138 0.252,1139 4.106,1140 1.411,1141 4.094,1142 4.128,1143 4.052,1144 4.015,1145 7.435,1146 4.02,1147 3.948,1148 3.984,1149 3.883,1150 3.873,1151 4.983,1152 3.87,1153 3.78,1154 3.848,1155 3.674,1156 3.595,1157 4.754,1158 3.605,1159 3.528,1160 3.578,1161 3.444,1162 3.415,1163 4.497,1164 3.408,1165 3.494,1166 3.523,1167 3.403,1168 3.23,1169 4.44,1170 3.254,1171 3.327,1172 3.395,1173 3.175,1174 3.109,1175 4.285,1176 3.135,1177 3.111,1178 3.206,1179 2.942,1180 2.951,1181 3.981,1182 2.937,1183 3.088,1184 3.164,1185 2.866,1186 2.941,1187 3.886,1188 2.91,1189 0.138,1190 0.11,1191 0.203,1192 0.124,1193 0.095,1194 4.551,1195 0.136,1196 3.642,1197 0.066,1198 6.695,1199 0.329,1200 4.108,1201 0.092,1202 3.139,1203 4.474,1204 2.186,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.929,1214 1.899,1215 2.054,1216 2.037,1217 1.237,1218 2.044,1219 1.74,1220 1.672,1221 1.935,1222 1.942,1223 1.146,1224 1.944,1225 1.523,1226 1.475,1227 1.734,1228 1.697,1229 0.873,1230 1.696,1231 1.383,1232 1.33,1233 1.639,1234 1.655,1235 0.825,1236 1.649,1237 1.286,1238 1.234,1239 1.596,1240 1.535,1241 0.802,1242 1.562,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.583,1248 1.429,1249 1.111,1250 1.039,1251 1.424,1252 1.316,1253 0.48,1254 1.35,1255 4.205,1257 5.509,1259 7.013,1261 8.607,1263 10.25,1265 3.403,1271 6.055,1272 2.725,1273 4.661,1276 4.973,1280 35.837,1281 85.118,1282 194.036,1283 258.505,1284 302.253,1285 306.253,1286 306.253,1287 40.73,1288 7.896,1289 57.7,1290 57.7,1291 24,1292 12.507,1293 4.248,1294 3.392,1295 47.447,1296 147,1297 142,1298 0.158,1299 220.236,1300 379.44,1301 529.136,1302 33506,1304 20.924,1305 0.697,1306 0.587,1307 20.924,1308 17.597,1309 14.619,1310 0.443,1311 0.315,1312 10.25,1313 14.058,1314 9.953,1315 8.261,1316 14.619,1317 10.398,1318 12.943,1319 0.288,1320 0.171,1321 12.943,1322 7.692,1323 10.77,1324 0.186,1325 0.097,1326 10.77,1327 5.637,1328 8.824,1329 0.118,1330 0.053,1331 8.824,1332 3.989,1333 7.442,1334 0.077,1335 0.03,1336 7.442,1337 2.927,1338 0.256,1339 91.408,1340 0.211,1341 28.956,1342 0.408,1343 156,1344 418.739,1345 170.028,1346 405.078,1347 558.62,1348 382,1349 181,1350 411.182,1351 194.368,1352 419.298,1353 608.87,1354 393,1355 9.6} {0 CHEMBL1631533,1 1.504,2 16.333,3 5.222,4 27.264,5 141.066,6 7.328,7 0.575,8 4.28,9 4.409,10 3.839,11 3.837,12 5.358,13 3.812,14 4.82,15 5.002,16 4.192,17 4.228,18 5.88,19 4.179,20 5.104,21 5.326,22 4.248,23 4.385,24 6.114,25 4.305,26 5.165,27 5.405,28 4.166,29 4.382,30 6.119,31 4.268,32 5.189,33 5.448,34 4.135,35 4.347,36 6.217,37 4.23,38 5.115,39 5.372,40 4.021,41 4.291,42 6.019,43 4.164,44 5.041,45 5.301,46 3.925,47 4.217,48 5.93,49 4.085,50 4.954,51 5.212,52 3.85,53 4.145,54 5.853,55 4.01,56 0.029,57 1.05,58 13.542,59 5.878,60 7.564,61 7.868,62 0.267,63 1.711,64 25.5,65 9.647,66 27.051,67 13.388,68 0.433,69 2.177,70 36.281,71 12.712,72 49.785,73 17.732,74 0.291,75 2.188,76 39.373,77 14.985,78 51.194,79 20.759,80 0.587,81 2.117,82 41.875,83 14.595,84 96.055,85 20.865,86 0.358,87 1.963,88 38.277,89 13.793,90 54.571,91 19.615,92 0.36,93 1.838,94 35.702,95 12.775,96 52.45,97 18.182,98 0.368,99 1.736,100 32.724,101 12.153,102 46.928,103 16.972,104 10,105 55,106 0.236,107 0.533,108 0.69,109 0.846,110 0.881,111 0.881,112 3.615,113 0.923,114 -5,115 -4.9,116 -4.59,119 43.9,120 1,121 1,125 5,140 13,141 2,142 4,144 2,157 1,169 12,172 7,174 2,175 1,176 3,178 13,181 1,182 5,186 4,189 8,192 1,193 8,197 6,199 6,203 8,208 4,211 2,215 8,218 1,220 3,222 3,225 1,226 4,233 8,236 1,237 1,240 1,244 12,249 3,252 1,256 14,259 2512,260 24.601,261 24.601,262 24.601,263 24.601,264 24.601,265 21.632,266 29.599,267 14.646,268 25.037,269 19.786,270 19.786,271 19.786,272 19.786,273 19.786,274 15.394,275 40.677,276 7.005,277 20.513,278 4.541,279 2.654,280 1.649,281 0.659,282 0.436,283 0.436,284 4.325,289 1,290 1295,291 3.464,295 598.885,299 181.951,302 2.593,303 29.479,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 77,315 588,316 4.551,317 3.574,318 6.695,319 4.108,320 3.139,321 4.474,322 1.656,323 10.856,324 3.046,325 4.194,326 3.28,327 6.055,328 3.804,329 2.847,330 3.791,331 0.8,332 8.712,333 2.723,334 4.082,335 3.089,336 5.808,337 3.693,338 2.719,339 3.679,340 0.8,341 8.008,342 2.644,343 3.856,344 2.917,345 5.645,346 3.575,347 2.634,348 3.249,349 0.247,350 7.866,351 2.468,352 3.629,353 2.786,354 5.339,355 3.34,356 2.394,357 2.861,359 6.93,360 2.27,361 3.519,362 2.621,363 5.137,364 3.223,365 2.252,366 2.734,368 6.361,369 2.17,370 3.342,371 2.272,372 4.96,373 3.002,374 2.038,375 2.522,377 5.729,378 1.958,379 3.216,380 2.206,381 4.706,382 2.844,383 1.86,384 2.409,386 5.14,387 1.822,388 3.027,389 1.875,390 4.557,391 2.574,392 1.597,393 2.241,395 4.489,396 1.559,397 2.875,398 1.651,399 4.079,400 2.403,401 1.42,402 2.039,404 3.561,405 1.394,406 2.808,407 1.497,408 4.036,409 2.39,410 1.414,411 1.919,413 3.465,414 1.378,415 2.774,416 1.476,417 3.596,418 2.355,419 1.382,420 1.843,422 2.96,423 1.324,424 2.665,425 1.279,426 3.502,427 2.195,428 1.198,429 1.735,431 2.645,432 1.193,433 2.257,434 1.146,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 0.912,444 3.372,445 1.839,446 0.859,447 1,449 2.036,450 0.84,451 17.119,452 0.476,453 0.797,454 0.022,455 48.5,456 1.347,457 25,458 0.694,459 23.5,460 0.653,461 30.351,462 0.843,463 38.081,464 0.577,465 37.671,466 1.046,467 9.73,468 0.27,469 7.816,470 0.217,471 0.065,473 0.31,477 1,479 0.694,480 1.221,481 0.786,482 1.056,483 0.539,484 0.952,485 0.736,486 1.089,487 0.893,488 0.997,489 0.506,490 0.966,491 1.041,492 0.979,493 1.064,494 0.977,495 0.851,496 1.005,497 0.885,498 1.117,499 1.011,500 1.148,501 0.842,502 1.109,503 0.824,504 0.863,505 0.954,506 0.952,507 0.777,508 0.966,509 0.847,510 0.913,511 1.017,512 1.023,513 0.816,514 1.04,515 0.862,516 0.88,517 1.029,518 0.977,519 0.787,520 1.017,521 0.881,522 0.947,523 1.044,524 1.018,525 0.879,526 1.051,527 7,528 0.145,529 3.556,530 2.125,531 1.933,532 0.896,533 0.725,534 0.401,535 0.303,536 0.219,537 24096,538 60476,539 2.137,540 45.5,542 23,545 2,546 3,547 2,550 1.767,551 2.038,552 3.942,553 0.121,559 99.232,560 1.504,561 3.39,562 4.395,563 5.385,564 5.609,565 5.609,566 3.382,567 4.628,568 5.144,569 4.163,570 2622.48,571 8.997,572 45310.7,577 398.93,578 1.256,579 5.118,580 0.175,581 0.005,582 0.065,583 0.038,584 0.039,585 0.019,586 0.017,587 0.01,588 0.008,589 0.007,590 0.382,591 0.17,592 0.75,593 0.442,594 202.168,595 -0.026,596 -0.143,597 0.053,598 -0.034,599 -0.027,600 0.011,601 0.073,602 -0.048,603 0.013,604 -0.024,605 0.089,606 -0.018,607 -0.067,608 0.048,609 -0.103,610 -0.02,611 -0.015,612 -0.056,613 -0.008,614 -0.147,615 -0.044,616 -0.15,617 0.024,618 -0.112,619 0.103,620 0.024,621 0.039,622 0.016,623 0.158,624 0.02,625 -0.042,626 -0.045,627 -0.044,628 -0.052,629 -0.042,630 -0.048,631 -0.06,632 -0.007,633 -0.053,634 -0.008,635 -0.041,636 -0.026,637 -0.005,638 0.003,639 -0.062,640 -0.027,641 -0.037,642 -0.05,643 2.132,644 5.781,645 0.778,646 46.877,647 0.998,648 1.128,649 3.769,650 14.208,651 0.671,652 3.714,653 4.025,654 4.277,655 4.533,656 4.771,657 4.771,658 4.883,659 5.004,660 5.094,661 5.147,662 9.469,663 0.637,664 483.64,665 3.714,666 5.252,667 6.094,668 6.961,669 7.816,670 8.686,671 9.546,672 10.417,673 11.281,674 12.153,675 7.6,678 1,681 1,682 2,685 1,687 2,688 13,689 1,693 6,695 23,709 1,713 1,714 66,716 24,717 3,718 40,720 70,721 29,722 21,723 7,724 11,730 5,731 6,735 1,736 1,743 1,745 22,746 7,750 1,755 1,759 1,762 1,764 30,765 7,766 2,767 7,773 5,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,825 1,827 36,833 6,834 2,838 2,846 1,847 1.5,850 1,854 17.667,855 11.993,856 7.861,857 4.012,858 4.354,859 1.512,860 1.017,861 7.452,862 12.862,863 3.98,864 4.57,865 5.118,866 5.692,867 6.236,868 6.383,869 6.682,870 7.016,871 7.278,872 7.256,873 0.909,874 56,875 13.35,877 5.688,878 7.694,879 25.758,881 21.313,883 2.194,884 79,888 329.591,889 177.406,890 59.056,892 25.145,893 14.96,895 177.406,896 354.736,897 74.016,898 8.825,899 49.085,900 123.191,901 41.93,902 34.299,903 19.236,904 329.591,906 329.591,907 236.462,908 40.105,911 321.009,912 48.687,915 65.935,916 153.741,917 16.786,919 344.551,920 84.201,921 177.406,924 329.591,925 45.39,926 138.265,927 36.022,928 56.891,929 329.591,930 99.161,931 177.406,933 0.579,934 0.333,935 0.182,936 0.102,937 26,938 11,939 0.086,940 6,941 1,942 1.071,943 4.855,944 332.933,945 0.071,946 28,947 180.117,951 24.237,952 11.069,953 6.037,954 2.255,955 99.161,956 24.544,957 4.675,961 3.818,963 36.022,964 606.158,965 52.5,970 12.291,974 -0.466,975 65.836,976 74.438,977 0.249,978 0.561,979 0.727,980 0.891,981 0.928,982 0.928,983 5.208,984 1.86,985 6.061,986 5.729,987 4.71,988 5.257,989 2.044,990 6.834,991 4.638,992 6.398,993 1.597,994 7.592,995 5.14,996 4.205,997 4.987,998 1.404,999 7.636,1000 4.074,1001 7.69,1002 1.42,1003 9.22,1004 4.489,1005 6.267,1006 7.43,1007 2.494,1008 10.725,1009 6.119,1010 9.013,1011 1.414,1012 10.905,1013 3.561,1014 6.567,1015 7.987,1016 2.382,1017 12.38,1018 6.358,1019 10.368,1020 1.382,1021 12.629,1022 3.465,1023 8.084,1024 9.91,1025 3.264,1026 14.982,1027 7.861,1028 11.745,1029 1.198,1030 14.381,1031 2.96,1032 8.779,1033 10.896,1034 3.421,1035 17.022,1036 8.503,1037 13.14,1038 1,1039 16.154,1040 2.645,1041 10.058,1042 12.582,1043 4.161,1044 19.459,1045 9.764,1046 3.139,1047 0.859,1048 17.944,1049 2.275,1050 10.956,1051 13.802,1052 4.467,1053 21.679,1054 10.618,1055 2.847,1056 10.856,1057 19.748,1058 2.036,1059 12.13,1060 15.374,1061 5.113,1062 24.065,1063 11.77,1064 2.719,1065 8.712,1066 21.564,1067 4.474,1068 13.132,1069 16.72,1070 5.504,1071 26.369,1072 12.736,1073 2.634,1074 8.008,1075 23.391,1076 3.791,1077 14.263,1078 18.24,1079 6.091,1080 28.743,1081 13.842,1082 2.394,1083 7.866,1084 25.226,1085 3.679,1086 15.32,1087 19.653,1088 6.531,1089 31.087,1090 14.866,1091 2.252,1092 6.93,1093 27.07,1094 3.249,1095 16.436,1096 21.152,1097 7.083,1098 33.46,1099 15.957,1100 2.038,1101 6.361,1102 28.92,1103 2.861,1104 17.522,1105 22.601,1106 7.551,1107 35.823,1108 17.013,1109 22265,1110 35496,1111 27.334,1112 44.319,1113 59.325,1114 60.515,1115 60.518,1116 59.117,1117 59.09,1118 77.118,1119 7.006,1120 165.877,1121 57.028,1122 5.551,1123 5.574,1124 6.383,1125 5.176,1126 5.139,1127 7.474,1128 2.912,1129 18.031,1130 5.046,1131 14.718,1132 1.483,1133 1.513,1134 1.513,1135 1.478,1136 1.477,1137 1.928,1138 0.175,1139 4.147,1140 1.426,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 8.201,1146 4.022,1147 3.964,1148 4,1149 3.908,1150 3.881,1151 7.431,1152 3.881,1153 3.893,1154 3.927,1155 3.836,1156 3.813,1157 4.984,1158 3.814,1159 3.78,1160 3.847,1161 3.674,1162 3.595,1163 4.752,1164 3.605,1165 3.522,1166 3.576,1167 3.423,1168 3.415,1169 4.659,1170 3.408,1171 3.444,1172 3.497,1173 3.372,1174 3.227,1175 4.44,1176 3.241,1177 3.308,1178 3.375,1179 3.167,1180 3.092,1181 4.285,1182 3.119,1183 3.111,1184 3.206,1185 2.94,1186 2.951,1187 4.037,1188 2.937,1189 0.114,1190 0.089,1191 0.167,1192 0.103,1193 0.078,1194 4.551,1195 0.112,1196 3.574,1197 0.041,1198 6.695,1199 0.271,1200 4.108,1201 0.076,1202 3.139,1203 4.474,1204 1.656,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.932,1214 1.902,1215 2.055,1216 2.044,1217 1.238,1218 2.048,1219 1.874,1220 1.846,1221 1.981,1222 1.989,1223 1.146,1224 1.987,1225 1.74,1226 1.671,1227 1.935,1228 1.935,1229 1.045,1230 1.94,1231 1.523,1232 1.474,1233 1.734,1234 1.674,1235 0.873,1236 1.694,1237 1.377,1238 1.313,1239 1.632,1240 1.613,1241 0.825,1242 1.609,1243 1.239,1244 1.185,1245 1.513,1246 1.502,1247 0.802,1248 1.496,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.429,1255 4.394,1257 5.707,1259 7.215,1261 8.81,1263 10.45,1265 2.025,1267 13.781,1271 5.795,1272 5.347,1276 4.934,1280 42.053,1281 99.232,1282 223.751,1283 290.095,1284 355.42,1285 370.175,1286 370.175,1287 60.451,1288 8.508,1289 60.5,1290 60.5,1291 30,1292 12.696,1293 4.644,1294 3.755,1295 54.955,1296 210,1297 178,1298 0.125,1299 256.019,1300 443.04,1301 616.445,1302 78407,1303 1.5,1304 24.907,1305 0.692,1306 0.566,1307 24.037,1308 20.376,1309 17.547,1310 0.439,1311 0.308,1312 12.154,1313 16.967,1314 11.877,1315 9.818,1316 17.136,1317 12.302,1318 15.792,1319 0.287,1320 0.166,1321 15.274,1322 9.134,1323 13.067,1324 0.184,1325 0.093,1326 12.533,1327 6.585,1328 11.013,1329 0.12,1330 0.051,1331 10.745,1332 4.668,1333 9.162,1334 0.078,1335 0.029,1336 8.864,1337 3.34,1338 0.206,1339 109.136,1340 0.191,1341 33.919,1342 0.317,1343 190,1344 543.448,1345 206.869,1346 509.337,1347 697.88,1348 478,1349 221,1350 515.223,1351 237.629,1352 518.931,1353 756.18,1354 490,1355 9.699} {0 CHEMBL1631534,1 1.31,2 11.654,3 3.577,4 12.791,5 109.117,6 6.664,7 0.586,8 4.029,9 4.17,10 3.518,11 3.59,12 5.016,13 3.542,14 4.582,15 4.784,16 3.857,17 3.99,18 5.479,19 3.918,20 4.855,21 5.09,22 3.898,23 4.164,24 5.693,25 4.05,26 4.938,27 5.197,28 3.779,29 4.172,30 5.675,31 4.008,32 4.955,33 5.24,34 3.693,35 4.118,36 5.653,37 3.943,38 4.867,39 5.152,40 3.585,41 4.011,42 5.585,43 3.833,44 4.743,45 5.036,46 3.431,47 3.862,48 5.439,49 3.683,50 4.566,51 4.848,52 3.255,53 3.718,54 5.288,55 3.534,56 0.064,57 0.779,58 12.019,59 4.705,60 9.445,61 6.847,62 0.162,63 1.28,64 21.739,65 7.662,66 17.524,67 11.506,68 0.265,69 1.6,70 29.035,71 10.208,72 26.352,73 15.314,74 0.206,75 1.629,76 31.397,77 12.392,78 23.911,79 18.175,80 0.223,81 1.607,82 32.408,83 12.129,84 25.903,85 18.1,86 0.237,87 1.479,88 29.759,89 10.902,90 26.822,91 16.326,92 0.234,93 1.296,94 26.436,95 9.37,96 22.323,97 14.148,98 0.156,99 1.087,100 21.902,101 8.084,102 18.23,103 12.104,104 5,105 40,106 0.219,107 0.53,108 0.7,109 0.84,110 0.853,111 0.853,112 3.304,113 0.969,114 -3.97,115 -3.93,116 -3.72,119 42.3,120 1,121 1,125 5,140 9,141 2,142 2,144 2,161 1,162 1,163 1,169 9,172 7,176 2,178 11,180 2,181 1,182 5,186 2,189 7,191 2,192 1,193 5,197 2,199 6,201 2,203 4,211 2,215 5,217 1,218 1,222 1,225 1,226 4,233 2,237 1,244 4,249 3,251 1,252 1,256 8,259 972,260 17.809,261 17.809,262 17.809,263 17.809,264 17.809,265 15.746,266 21.082,267 10.573,268 18.118,269 14.341,270 14.341,271 14.341,272 14.341,273 14.341,274 11.303,275 26.97,276 5.055,277 14.848,278 4.391,279 2.524,280 1.51,281 0.668,282 0.591,283 0.591,284 4.006,287 1,288 1,289 1,290 667,291 2.449,295 304.537,299 116.324,302 1.938,303 11.385,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 54,315 303,316 4.551,317 3.28,318 6.695,319 4.108,320 3.139,321 4.474,322 0.8,323 10.856,324 3.046,325 4.044,326 2.917,327 5.808,328 3.667,329 2.692,330 3.648,331 0.8,332 8.004,333 2.642,334 3.855,335 2.785,336 5.522,337 3.564,338 2.613,339 3.249,341 7.485,342 2.464,343 3.537,344 2.619,345 5.305,346 3.304,347 2.366,348 2.737,350 6.836,351 2.221,352 3.362,353 2.262,354 4.962,355 3.023,356 2.055,357 2.592,359 5.736,360 1.987,361 3.254,362 2.161,363 4.738,364 2.917,365 1.943,366 2.441,368 5.278,369 1.886,370 3.027,371 1.65,372 4.557,373 2.574,374 1.596,375 2.242,377 4.488,378 1.559,379 2.776,380 1.476,381 4.036,382 2.398,383 1.418,384 1.846,386 3.465,387 1.386,388 2.668,389 1.251,390 3.49,391 2.202,392 1.207,393 1.743,395 2.627,396 1.2,397 2.257,398 1.146,399 3.414,400 1.967,401 1,402 1.168,404 2.275,405 0.965,406 2,407 0.912,408 3.372,409 1.839,410 0.859,411 1,413 2.036,414 0.84,415 1.766,416 0.73,417 3.183,418 1.6,419 0.623,420 0.698,422 1.503,423 0.608,424 1.152,425 0.026,426 2.628,427 0.802,428 -0.176,429 -0.203,431 -0.434,432 -0.172,433 1.092,434 -0.054,435 2.443,436 0.735,437 -0.239,438 -0.315,440 -0.569,441 -0.233,442 0.941,443 -0.248,444 2.294,445 0.566,446 -0.401,447 -0.506,449 -0.9,450 -0.386,451 12.6,452 0.485,453 0.571,454 0.022,455 33.75,456 1.298,457 17,458 0.654,459 16.75,460 0.644,461 21.18,462 0.815,463 27.6,464 0.531,465 22.373,466 0.86,467 6.614,468 0.254,469 6.072,470 0.234,471 0.071,473 0.302,479 1.073,480 1.329,481 0.907,482 1.073,483 1.138,484 0.993,485 1.397,486 1.151,487 0.976,488 0.955,489 0.661,490 0.934,491 1.428,492 1.006,493 1.134,494 0.996,495 1.054,496 1.032,497 0.724,498 1.118,499 1.039,500 1.159,501 0.72,502 1.132,503 0.911,504 0.987,505 0.98,506 1.001,507 0.886,508 0.997,509 0.961,510 1.018,511 1.034,512 1.044,513 0.964,514 1.045,515 1.095,516 0.925,517 1.029,518 0.961,519 0.884,520 0.985,521 1.016,522 1.057,523 1.086,524 1.089,525 1.209,526 1.092,527 5,528 0.095,529 2.667,530 1.375,531 1.391,532 0.604,533 0.442,534 0.332,535 0.151,536 0.132,537 9047,538 18729,539 2.148,540 50,542 19,545 2,546 3,547 2,550 1.684,551 2.053,552 3.489,553 0.175,555 1,559 68.104,560 1.31,561 3.176,562 4.191,563 5.032,564 5.109,565 5.109,566 2.936,567 4.287,568 4.671,569 3.678,570 1195.2,571 8.061,572 15339.6,574 1,576 1,577 296.423,578 1.239,579 4.65,580 0.172,581 0.006,582 0.067,583 0.034,584 0.041,585 0.019,586 0.016,587 0.014,588 0.008,589 0.008,590 0.387,591 0.5,592 1,593 0.465,594 129.118,595 0.006,596 -0.132,597 0.066,598 -0.017,599 -0.085,600 0.022,601 -0.108,602 -0.017,603 0.022,604 0.036,605 0.128,606 0.039,607 -0.169,608 0.075,609 -0.137,610 -0.025,611 -0.101,612 -0.069,613 0.061,614 -0.152,615 -0.078,616 -0.15,617 0.028,618 -0.13,619 -0.026,620 -0.046,621 -0.005,622 -0.02,623 -0.068,624 -0.013,625 0.014,626 -0.065,627 -0.052,628 -0.076,629 -0.099,630 -0.071,631 -0.025,632 0.028,633 -0.038,634 -0.009,635 -0.071,636 -0.022,637 -0.08,638 -0.106,639 -0.109,640 -0.115,641 -0.144,642 -0.114,643 0.813,644 1.879,645 0.846,646 25.337,647 0.983,648 1.126,649 2.745,650 7.533,651 0.662,652 3.401,653 3.714,654 3.97,655 4.234,656 4.489,657 4.5,658 4.605,659 4.718,660 4.812,661 4.844,662 6.893,663 0.613,664 346.52,665 3.401,666 4.934,667 5.778,668 6.648,669 7.506,670 8.38,671 9.246,672 10.122,673 10.992,674 11.87,675 7.7,678 1,679 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,705 1,709 1,714 52,716 17,717 2,718 29,720 55,721 22,722 15,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 7,761 1,764 26,765 4,766 2,767 4,773 4,777 0.75,786 1,793 4,797 1,815 1,819 3,823 1,827 26,828 1,833 6,838 2,854 12.667,855 9.433,856 5.667,857 3.206,858 3.231,859 1.426,860 1.018,861 4.983,862 10.806,863 3.651,864 4.248,865 4.822,866 5.408,867 5.971,868 6.158,869 6.458,870 6.788,871 7.088,872 6.969,873 0.875,874 40,875 9.609,877 4.014,878 7.423,879 19.109,881 15.978,883 1.923,884 50,886 1,887 1,888 282.506,889 123.347,890 55.931,895 123.347,896 282.506,897 55.931,898 8.825,899 13.063,900 118.183,901 16.786,902 22.422,904 282.506,906 282.506,907 179.279,911 258.964,912 23.542,915 29.913,916 132.58,917 16.786,919 282.506,920 55.931,921 123.347,924 282.506,925 29.236,926 100.36,928 49.683,929 282.506,930 55.931,931 123.347,933 0.579,934 0.332,935 0.182,936 0.103,937 20,938 8,939 0.073,940 4,941 1,942 1.091,943 3.933,944 216.41,945 0.091,946 22,947 116.211,951 17.169,952 7.546,953 3.962,954 2.345,955 55.931,956 18.999,957 4.669,961 4.557,963 32.897,964 461.785,965 37.5,975 51.127,976 58.56,977 0.23,978 0.557,979 0.735,980 0.883,981 0.896,982 0.896,983 4.877,984 1.418,985 5.746,986 4.488,987 4.394,988 4.934,989 1.072,990 6.524,991 4.327,992 6.065,993 1.207,994 7.279,995 3.465,996 3.892,997 4.677,998 0.57,999 7.345,1000 3.769,1001 7.357,1002 1,1003 8.908,1004 2.627,1005 5.953,1006 7.13,1007 0.653,1008 10.44,1009 5.816,1010 8.683,1011 0.859,1012 10.597,1013 2.275,1014 6.256,1015 7.719,1016 0.479,1017 12.132,1018 6.067,1019 10.041,1020 0.623,1021 12.326,1022 2.036,1023 7.777,1024 9.647,1025 0.432,1026 14.749,1027 7.574,1028 11.424,1029 -0.176,1030 14.085,1031 1.503,1032 8.48,1033 10.674,1034 0.346,1035 16.83,1036 8.234,1037 12.827,1038 -0.239,1039 15.866,1040 -0.434,1041 9.765,1042 12.364,1043 0.291,1044 19.288,1045 9.501,1046 3.139,1047 -0.401,1048 17.667,1049 -0.569,1050 10.676,1051 13.623,1052 0.237,1053 21.542,1054 10.376,1055 2.692,1056 10.856,1057 19.483,1058 -0.9,1059 11.858,1060 15.202,1061 0.195,1062 23.948,1063 11.537,1064 2.613,1065 8.004,1066 21.312,1067 4.474,1068 12.876,1069 16.58,1070 0.158,1071 26.276,1072 12.522,1073 2.366,1074 7.485,1075 23.152,1076 3.648,1077 14.017,1078 18.109,1079 0.129,1080 28.666,1081 13.64,1082 2.055,1083 6.836,1084 25.001,1085 3.249,1086 15.09,1087 19.546,1088 0.104,1089 31.025,1090 14.683,1091 1.943,1092 5.736,1093 26.859,1094 2.737,1095 16.219,1096 21.054,1097 0.084,1098 33.41,1099 15.786,1100 1.596,1101 5.278,1102 28.724,1103 2.592,1104 17.32,1105 22.521,1106 0.068,1107 35.783,1108 16.858,1109 8467,1110 12269,1111 19.879,1112 34.398,1113 43.159,1114 42.938,1115 43.954,1116 43.071,1117 43.023,1118 55.674,1119 3.2,1120 121.178,1121 41.605,1122 5.551,1123 5.28,1124 6.256,1125 5.176,1126 5.139,1127 7.474,1128 1.2,1129 18.031,1130 5.046,1131 9.696,1132 1.488,1133 1.481,1134 1.516,1135 1.485,1136 1.484,1137 1.92,1138 0.11,1139 4.179,1140 1.435,1141 4.093,1142 4.127,1143 4.052,1144 4.015,1145 5.111,1146 4.02,1147 3.939,1148 3.977,1149 3.868,1150 3.868,1151 4.981,1152 3.864,1153 3.777,1154 3.845,1155 3.67,1156 3.594,1157 4.519,1158 3.604,1159 3.518,1160 3.573,1161 3.414,1162 3.415,1163 4.435,1164 3.407,1165 3.353,1166 3.43,1167 3.2,1168 3.199,1169 4.277,1170 3.188,1171 3.111,1172 3.206,1173 2.954,1174 2.953,1175 3.968,1176 2.94,1177 3.09,1178 3.167,1179 2.866,1180 2.941,1181 3.824,1182 2.91,1183 3.027,1184 3.131,1185 2.858,1186 2.812,1187 3.685,1188 2.814,1189 0.157,1190 0.113,1191 0.231,1192 0.142,1193 0.108,1194 4.551,1195 0.154,1196 3.28,1197 0.028,1198 6.695,1199 0.374,1200 4.108,1201 0.105,1202 3.139,1203 4.474,1204 0.8,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.357,1212 2.144,1213 1.927,1214 1.895,1215 2.055,1216 2.033,1217 1.235,1218 2.043,1219 1.74,1220 1.671,1221 1.936,1222 1.938,1223 1.141,1224 1.943,1225 1.523,1226 1.474,1227 1.734,1228 1.669,1229 0.859,1230 1.692,1231 1.358,1232 1.288,1233 1.631,1234 1.558,1235 0.825,1236 1.587,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.801,1242 1.429,1243 1.112,1244 1.04,1245 1.424,1246 1.306,1247 0.48,1248 1.35,1249 0.987,1250 0.903,1251 1.276,1252 1.292,1253 0.378,1254 1.301,1255 4.078,1257 5.389,1259 6.903,1261 8.508,1263 10.16,1265 2.047,1269 5.879,1271 6.458,1276 5.045,1280 31.88,1281 68.104,1282 165.151,1283 217.919,1284 261.668,1285 265.668,1286 265.668,1287 30.714,1288 7.575,1289 45.39,1290 45.39,1291 24,1292 12.409,1293 4.17,1294 3.248,1295 38.336,1296 109,1297 96,1298 0.173,1299 195.986,1300 329.9,1301 469.967,1302 21668,1304 17.933,1305 0.69,1306 0.591,1307 17.933,1308 15.358,1309 12.687,1310 0.437,1311 0.323,1312 9.285,1313 12.377,1314 9.023,1315 7.47,1316 12.687,1317 9.37,1318 11.433,1319 0.286,1320 0.178,1321 11.433,1322 7.12,1323 9.491,1324 0.183,1325 0.101,1326 9.491,1327 5.229,1328 8.031,1329 0.118,1330 0.055,1331 8.031,1332 3.765,1333 6.725,1334 0.076,1335 0.031,1336 6.725,1337 2.747,1338 0.277,1339 78.004,1340 0.224,1341 25.504,1342 0.457,1343 138,1344 298.248,1345 145.577,1346 302.085,1347 429.02,1348 286,1349 161,1350 327.592,1351 169.382,1352 337.689,1353 491.26,1354 319,1355 9.3} {0 CHEMBL1631535,1 1.571,2 13.333,3 3.707,4 13.739,5 123.252,6 7.321,7 0.515,8 4.145,9 4.264,10 3.845,11 3.721,12 5.111,13 3.661,14 4.722,15 4.905,16 4.087,17 4.101,18 5.875,19 4.032,20 4.987,21 5.208,22 4.084,23 4.266,24 5.94,25 4.159,26 5.029,27 5.269,28 4.043,29 4.301,30 5.876,31 4.147,32 5.088,33 5.348,34 3.989,35 4.277,36 5.942,37 4.117,38 5.025,39 5.29,40 3.86,41 4.184,42 5.855,43 4.014,44 4.923,45 5.194,46 3.675,47 4.028,48 5.74,49 3.852,50 4.774,51 5.052,52 3.592,53 3.888,54 5.579,55 3.705,56 0.09,57 0.89,58 15.768,59 5.71,60 14.734,61 7.444,62 0.382,63 1.452,64 27.813,65 9.38,66 59.35,67 12.636,68 0.428,69 1.773,70 33.917,71 11.547,72 52.867,73 16.091,74 0.204,75 1.805,76 36.82,77 14.346,78 35.573,79 19.698,80 0.313,81 1.832,82 39.563,83 14.411,84 49.943,85 20.043,86 0.305,87 1.725,88 38.48,89 13.62,90 45.541,91 18.896,92 0.376,93 1.527,94 35.145,95 11.623,96 50.945,97 16.403,98 0.367,99 1.306,100 29.424,101 10.113,102 40.814,103 14.337,104 19,105 47,106 0.255,107 0.538,108 0.718,109 0.84,110 0.852,111 0.852,112 3.44,113 1.106,114 -3.29,115 -3.28,116 -3.14,119 39.7,120 1,121 1,124 1,125 5,140 9,141 2,142 2,144 2,169 9,171 1,172 7,174 2,176 2,178 11,181 1,182 5,186 2,189 7,192 1,193 9,197 2,199 6,203 8,211 2,215 9,218 1,222 1,225 1,226 4,233 2,236 2,237 1,244 4,249 3,252 1,256 8,259 1448,260 19.911,261 19.911,262 19.911,263 19.911,264 19.911,265 17.524,266 22.793,267 11.674,268 20.31,269 16.346,270 16.346,271 16.346,272 16.346,273 16.346,274 12.718,275 27.945,276 5.605,277 17.019,278 4.287,279 2.547,280 1.435,281 0.681,282 0.612,283 0.612,284 4.137,288 1,289 1,290 865,291 3.606,295 370.916,299 143.239,302 2.111,303 24.384,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 400,316 4.644,317 4.311,318 6.695,319 4.108,320 3.141,321 4.474,322 0.8,323 10.856,324 3.046,325 4.551,326 3.28,327 6.457,328 4.078,329 3.139,330 4.442,331 0.8,332 10.203,333 2.925,334 4.035,335 2.92,336 5.808,337 3.643,338 2.679,339 3.64,341 8.005,342 2.599,343 3.855,344 2.795,345 5.555,346 3.556,347 2.598,348 3.249,350 7.61,351 2.461,352 3.538,353 2.624,354 5.316,355 3.302,356 2.363,357 2.737,359 6.869,360 2.217,361 3.366,362 2.277,363 4.966,364 3.021,365 2.054,366 2.602,368 5.776,369 1.983,370 3.264,371 2.213,372 4.896,373 2.916,374 1.945,375 2.446,377 5.663,378 1.882,379 3.027,380 1.651,381 4.558,382 2.574,383 1.597,384 2.242,386 4.49,387 1.559,388 2.776,389 1.476,390 4.036,391 2.398,392 1.418,393 1.847,395 3.466,396 1.386,397 2.673,398 1.281,399 3.514,400 2.209,401 1.215,402 1.749,404 2.667,405 1.206,406 2.257,407 1.146,408 3.414,409 1.967,410 1,411 1.168,413 2.275,414 0.965,415 2,416 0.912,417 3.372,418 1.839,419 0.859,420 1,422 2.036,423 0.84,424 1.766,425 0.751,426 3.203,427 1.601,428 0.624,429 0.698,431 1.507,432 0.608,433 1.2,434 0.714,435 3.071,436 0.862,437 -0.1,438 -0.122,440 -0.285,441 -0.095,442 1.152,443 0.026,444 2.627,445 0.798,446 -0.179,447 -0.205,449 -0.448,450 -0.174,451 14.6,452 0.487,453 0.887,454 0.03,455 39.25,456 1.308,457 20,458 0.667,459 19.25,460 0.642,461 25.975,462 0.866,463 32.8,464 0.566,465 28.534,466 0.951,467 7.456,468 0.249,469 6.915,470 0.231,471 0.114,472 0.057,473 0.26,479 0.571,480 1.462,481 0.86,482 1.266,483 0.662,484 1.03,485 0.82,486 1.183,487 1.061,488 1.057,489 0.457,490 0.946,491 1.343,492 0.909,493 0.975,494 0.815,495 1.147,496 0.984,497 0.526,498 1.117,499 0.909,500 1.101,501 0.395,502 1.115,503 0.829,504 0.993,505 0.871,506 0.947,507 0.764,508 1.018,509 0.748,510 1.043,511 0.978,512 1.054,513 0.654,514 1.073,515 0.997,516 0.994,517 1.003,518 0.994,519 0.965,520 1.062,521 0.794,522 0.937,523 0.847,524 0.867,525 0.786,526 0.989,527 7.5,528 0.141,529 2.889,530 1.875,531 1.671,532 0.903,533 0.644,534 0.363,535 0.25,536 0.222,537 13343,538 34619,539 2.079,540 48.3,542 22,545 1,546 3,547 2,550 1.722,551 1.946,552 3.661,553 -0.349,555 1,559 91.115,560 1.571,561 3.311,562 4.422,563 5.177,564 5.246,565 5.246,566 3.083,567 4.323,568 4.88,569 3.883,570 1688.94,571 8.474,572 24691.8,574 1,577 339.763,578 1.524,579 4.832,580 0.227,581 0.006,582 0.061,583 0.042,584 0.04,585 0.023,586 0.019,587 0.013,588 0.01,589 0.009,590 0.451,591 0.33,592 1,593 0.878,594 157.518,595 0.135,596 -0.232,597 0.22,598 -0.099,599 -0.137,600 0.004,601 0.196,602 -0.034,603 -0.044,604 -0.037,605 0.347,606 0.02,607 -0.246,608 0.151,609 -0.14,610 0.061,611 -0.167,612 -0.048,613 0.056,614 -0.135,615 -0.025,616 -0.12,617 0.084,618 -0.098,619 -0.041,620 -0.048,621 -0.004,622 -0.019,623 -0.022,624 -0.028,625 -0.001,626 -0.088,627 -0.061,628 -0.104,629 -0.004,630 -0.082,631 -0.078,632 -0.053,633 -0.093,634 -0.078,635 -0.107,636 -0.092,637 0.069,638 -0.009,639 0.032,640 0.031,641 -0.023,642 -0.018,643 4.167,644 4.435,645 0.733,646 31.751,647 0.996,648 1.126,649 2.062,650 4.253,651 0.668,652 3.526,653 3.871,654 4.06,655 4.344,656 4.585,657 4.625,658 4.727,659 4.844,660 4.905,661 4.942,662 7.905,663 0.621,664 424.62,665 3.526,666 5.081,667 5.911,668 6.797,669 7.643,670 8.53,671 9.383,672 10.27,673 11.129,674 12.015,675 6.9,678 1,680 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 58,716 19,717 2,718 33,720 61,721 23,722 15,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 8,750 2,753 1,755 2,761 1,764 28,765 6,766 1,767 7,768 1,773 4,777 0.75,778 2,786 1,793 4,797 1,815 1,819 3,821 1,823 2,827 30,830 1,833 6,834 1,838 2,847 3.4,850 2,854 15.417,855 10.85,856 6.375,857 3.449,858 3.476,859 1.44,860 1.004,861 6.165,862 11.372,863 3.795,864 4.431,865 4.885,866 5.492,867 6.048,868 6.272,869 6.582,870 6.917,871 7.135,872 7.026,873 0.889,874 45,875 11.261,877 4.902,878 7.681,879 21.749,881 18.269,883 2.181,884 65.417,887 1,888 317.82,889 136.345,890 39.439,892 44.313,894 5.807,895 130.538,896 362.133,897 39.439,898 16.016,899 13.063,900 91.094,901 77.503,902 22.422,904 317.82,906 317.82,907 169.977,908 44.313,909 5.807,911 294.278,912 67.855,915 29.913,916 106.873,917 38.998,919 317.82,920 83.752,921 136.345,923 5.807,924 317.82,925 29.236,926 107.55,927 16.405,928 61.098,929 317.82,930 83.752,931 136.345,933 0.589,934 0.312,935 0.173,936 0.099,937 23,938 10,939 0.098,940 6,941 1,942 1.091,943 4.22,944 260.474,945 0.091,946 22,947 139.207,950 1,951 20.953,952 8.827,953 5.453,954 2.268,955 83.752,956 18.266,957 4.658,961 4.07,963 16.405,964 537.917,965 43.5,968 -3.25,970 22.871,975 57.741,976 65.314,977 0.268,978 0.565,979 0.755,980 0.884,981 0.895,982 0.895,983 5.045,984 1.597,985 5.927,986 5.663,987 4.554,988 5.118,989 1.072,990 6.737,991 4.474,992 6.277,993 1.418,994 7.485,995 4.49,996 4.29,997 5.19,998 0.57,999 7.789,1000 4.126,1001 7.618,1002 1.215,1003 9.145,1004 3.466,1005 6.196,1006 7.42,1007 0.653,1008 10.759,1009 6.026,1010 8.995,1011 1,1012 10.864,1013 2.667,1014 6.686,1015 8.272,1016 0.479,1017 12.584,1018 6.428,1019 10.403,1020 0.859,1021 12.621,1022 2.275,1023 8.119,1024 10.055,1025 0.432,1026 15.14,1027 7.849,1028 11.835,1029 0.624,1030 14.405,1031 2.036,1032 8.949,1033 11.251,1034 0.346,1035 17.276,1036 8.602,1037 13.284,1038 -0.1,1039 16.208,1040 1.507,1041 10.197,1042 12.864,1043 0.291,1044 19.701,1045 9.825,1046 3.141,1047 -0.179,1048 18.025,1049 -0.285,1050 11.187,1051 14.218,1052 0.237,1053 21.967,1054 10.751,1055 3.139,1056 10.856,1057 19.855,1058 -0.448,1059 12.361,1060 15.76,1061 0.195,1062 24.35,1063 11.89,1064 2.679,1065 10.203,1066 21.694,1067 4.474,1068 13.428,1069 17.187,1070 0.158,1071 26.672,1072 12.9,1073 2.598,1074 8.005,1075 23.541,1076 4.442,1077 14.573,1078 18.699,1079 0.129,1080 29.041,1081 14.007,1082 2.363,1083 7.61,1084 25.394,1085 3.64,1086 15.677,1087 20.161,1088 0.104,1089 31.388,1090 15.058,1091 2.054,1092 6.869,1093 27.253,1094 3.249,1095 16.814,1096 21.661,1097 0.084,1098 33.755,1099 16.154,1100 1.945,1101 5.776,1102 29.117,1103 2.737,1104 17.935,1105 23.139,1106 0.068,1107 36.113,1108 17.226,1109 12674,1110 20583,1111 21.959,1112 38.716,1113 49.232,1114 50.67,1115 49.964,1116 49.369,1117 49.266,1118 64.588,1119 3.2,1120 142.841,1121 47.355,1122 5.644,1123 6.311,1124 6.25,1125 5.176,1126 5.141,1127 7.474,1128 1.2,1129 18.031,1130 5.046,1131 15.166,1132 1.492,1133 1.535,1134 1.514,1135 1.496,1136 1.493,1137 1.957,1138 0.097,1139 4.329,1140 1.435,1141 4.098,1142 4.13,1143 4.716,1144 4.021,1145 7.718,1146 4.021,1147 4.019,1148 4.021,1149 4.051,1150 3.97,1151 6.999,1152 3.908,1153 3.846,1154 3.874,1155 3.844,1156 3.788,1157 4.983,1158 3.693,1159 3.758,1160 3.78,1161 3.667,1162 3.591,1163 4.742,1164 3.596,1165 3.516,1166 3.57,1167 3.413,1168 3.414,1169 4.44,1170 3.406,1171 3.335,1172 3.408,1173 3.187,1174 3.188,1175 4.285,1176 3.174,1177 3.111,1178 3.206,1179 2.942,1180 2.952,1181 3.984,1182 2.938,1183 3.086,1184 3.161,1185 2.866,1186 2.941,1187 3.903,1188 2.91,1189 0.141,1190 0.131,1191 0.203,1192 0.124,1193 0.095,1194 4.644,1195 0.136,1196 4.311,1197 0.024,1198 6.695,1199 0.329,1200 4.108,1201 0.092,1202 3.141,1203 4.474,1204 0.8,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.944,1214 1.923,1215 2.052,1216 2.045,1217 1.24,1218 2.065,1219 1.75,1220 1.72,1221 1.935,1222 1.951,1223 1.152,1224 1.965,1225 1.661,1226 1.655,1227 1.734,1228 1.795,1229 0.978,1230 1.859,1231 1.521,1232 1.473,1233 1.641,1234 1.664,1235 0.841,1236 1.689,1237 1.343,1238 1.275,1239 1.59,1240 1.534,1241 0.825,1242 1.567,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.799,1248 1.429,1249 1.111,1250 1.039,1251 1.424,1252 1.303,1253 0.48,1254 1.349,1255 4.205,1257 5.541,1259 7.06,1261 8.663,1263 10.309,1265 3.199,1271 5.864,1272 2.548,1276 4.924,1280 36.024,1281 91.115,1282 192.036,1283 256.505,1284 300.253,1285 304.253,1286 304.253,1287 50.922,1288 7.896,1289 65.54,1290 73.92,1291 24,1292 12.552,1293 4.322,1294 3.524,1295 47.449,1296 146,1297 118,1298 0.159,1299 224.702,1300 383.29,1301 540.033,1302 33323,1304 21.14,1305 0.705,1306 0.611,1307 21.39,1308 18.322,1309 14.371,1310 0.435,1311 0.369,1312 10.325,1313 13.181,1314 9.832,1315 8.147,1316 15.298,1317 12.169,1318 13.959,1319 0.297,1320 0.206,1321 15.341,1322 9.698,1323 10.238,1324 0.18,1325 0.107,1326 10.689,1327 6.115,1328 8.925,1329 0.117,1330 0.06,1331 9.451,1332 4.575,1333 7.367,1334 0.076,1335 0.034,1336 7.74,1337 3.253,1338 0.258,1339 98.471,1340 0.213,1341 28.893,1342 0.413,1343 160,1344 421.6,1345 202.777,1346 434.428,1347 592.42,1348 402,1349 184,1350 414.821,1351 234.268,1352 455.68,1353 652.81,1354 425,1355 9.9} {0 CHEMBL1631536,1 1.504,2 16.361,3 5.222,4 27.264,5 141.066,6 7.328,7 0.575,8 4.28,9 4.409,10 3.839,11 3.837,12 5.357,13 3.812,14 4.82,15 5.002,16 4.192,17 4.228,18 5.888,19 4.179,20 5.103,21 5.325,22 4.225,23 4.385,24 6.086,25 4.303,26 5.16,27 5.402,28 4.166,29 4.383,30 6.106,31 4.264,32 5.188,33 5.447,34 4.1,35 4.347,36 6.112,37 4.228,38 5.117,39 5.372,40 4.058,41 4.292,42 6.13,43 4.165,44 5.041,45 5.302,46 3.898,47 4.217,48 5.906,49 4.08,50 4.948,51 5.207,52 3.844,53 4.146,54 5.818,55 4.006,56 0.029,57 1.05,58 13.542,59 5.878,60 7.453,61 7.868,62 0.267,63 1.711,64 25.5,65 9.647,66 29.127,67 13.388,68 0.39,69 2.149,70 36.267,71 12.727,72 46.921,73 17.64,74 0.311,75 2.146,76 38.979,77 14.931,78 50.361,79 21.119,80 0.413,81 2.105,82 41.714,83 14.618,84 62.706,85 20.669,86 0.532,87 1.975,88 38.439,89 13.771,90 86.087,91 19.811,92 0.381,93 1.822,94 35.763,95 12.772,96 52.601,97 18.178,98 0.323,99 1.682,100 32.255,101 12.116,102 41.231,103 17.245,104 10,105 55,106 0.236,107 0.533,108 0.693,109 0.844,110 0.871,111 0.881,112 3.615,113 0.922,114 -5,115 -4.9,116 -4.59,119 43.9,120 1,121 1,125 5,140 13,141 2,142 4,144 2,157 1,169 11,172 7,174 2,175 1,176 4,178 14,181 1,182 5,186 3,189 8,192 1,193 9,197 7,199 6,203 7,208 3,211 2,215 8,218 1,220 3,222 5,225 1,226 4,233 8,236 1,237 1,240 1,244 12,249 3,252 1,256 12,259 2534,260 24.549,261 24.549,262 24.549,263 24.549,264 24.549,265 21.607,266 31.27,267 14.623,268 24.998,269 19.808,270 19.808,271 19.808,272 19.808,273 19.808,274 15.421,275 44.749,276 7.025,277 20.548,278 4.541,279 2.654,280 1.63,281 0.671,282 0.496,283 0.436,284 4.325,289 1,290 1297,291 3.464,295 600.876,299 182.554,302 2.619,303 28.946,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 77,315 589,316 4.551,317 3.564,318 6.695,319 4.108,320 3.139,321 4.474,322 1.656,323 10.856,324 3.046,325 4.119,326 3.28,327 5.808,328 3.747,329 2.775,330 3.695,331 0.8,332 8.02,333 2.701,334 4.044,335 2.948,336 5.683,337 3.637,338 2.674,339 3.649,340 0.8,341 7.976,342 2.576,343 3.856,344 2.916,345 5.547,346 3.571,347 2.624,348 3.249,349 0.247,350 7.584,351 2.467,352 3.651,353 2.788,354 5.334,355 3.342,356 2.395,357 2.899,359 6.918,360 2.27,361 3.526,362 2.622,363 5.123,364 3.239,365 2.275,366 2.735,368 6.345,369 2.176,370 3.356,371 2.318,372 4.96,373 3.011,374 2.048,375 2.585,377 5.733,378 1.966,379 3.277,380 2.264,381 4.829,382 2.923,383 1.967,384 2.463,386 5.518,387 1.873,388 3.116,389 2.196,390 4.559,391 2.677,392 1.692,393 2.296,395 4.551,396 1.644,397 3.026,398 1.651,399 4.469,400 2.572,401 1.595,402 2.238,404 4.479,405 1.557,406 2.775,407 1.476,408 4.036,409 2.397,410 1.417,411 1.845,413 3.466,414 1.385,415 2.673,416 1.28,417 3.506,418 2.206,419 1.213,420 1.75,422 2.66,423 1.203,424 2.652,425 1.275,426 3.477,427 2.165,428 1.172,429 1.717,431 2.577,432 1.16,433 2.257,434 1.146,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 0.912,444 3.372,445 1.839,446 0.859,447 1,449 2.036,450 0.84,451 17.119,452 0.476,453 0.814,454 0.023,455 48.5,456 1.347,457 25,458 0.694,459 23.5,460 0.653,461 30.26,462 0.841,463 38.081,464 0.577,465 37.556,466 1.043,467 9.715,468 0.27,469 7.815,470 0.217,471 0.065,473 0.31,477 1,479 0.694,480 1.221,481 0.786,482 1.056,483 0.54,484 0.952,485 0.736,486 1.089,487 0.893,488 0.997,489 0.488,490 0.966,491 1.124,492 0.991,493 1.106,494 0.976,495 0.914,496 1.014,497 0.651,498 1.037,499 0.952,500 1.146,501 0.599,502 1.107,503 1.01,504 0.899,505 1.003,506 0.953,507 0.985,508 0.969,509 0.648,510 0.874,511 0.965,512 1.022,513 0.601,514 1.036,515 0.885,516 0.85,517 1.065,518 0.974,519 0.835,520 1.031,521 0.661,522 0.894,523 0.979,524 1.018,525 0.61,526 1.042,527 7.5,528 0.173,529 3.111,530 2.25,531 1.773,532 1.007,533 0.643,534 0.432,535 0.282,536 0.222,537 24228,538 61260,539 2.137,540 45.5,542 23,545 2,546 3,547 2,550 1.767,551 2.038,552 3.957,553 0.121,559 99.232,560 1.504,561 3.39,562 4.414,563 5.374,564 5.548,565 5.609,566 3.396,567 4.628,568 5.143,569 4.176,570 2630.73,571 8.996,572 45566.1,577 398.93,578 1.256,579 5.118,580 0.188,581 0.005,582 0.057,583 0.041,584 0.035,585 0.021,586 0.015,587 0.011,588 0.008,589 0.007,590 0.388,591 0.17,592 0.75,593 0.442,594 202.359,595 -0.026,596 -0.143,597 0.053,598 -0.034,599 -0.028,600 0.011,601 0.073,602 -0.048,603 0.013,604 -0.024,605 0.107,606 -0.018,607 -0.151,608 0.036,609 -0.145,610 -0.018,611 -0.078,612 -0.065,613 0.089,614 -0.13,616 -0.151,617 0.098,618 -0.103,619 -0.085,620 -0.013,621 -0.011,622 0.015,623 -0.053,624 0.016,625 0.16,626 -0.005,627 0.009,628 -0.05,629 0.176,630 -0.045,631 -0.083,632 0.024,633 -0.09,634 -0.005,635 -0.089,636 -0.041,637 0.044,638 -0.022,639 -0.016,640 -0.03,641 0.025,642 -0.034,643 2.062,644 5.338,645 0.778,646 47.543,647 0.998,648 1.128,649 3.769,650 14.208,651 0.671,652 3.714,653 4.025,654 4.263,655 4.533,656 4.762,657 4.787,658 4.875,659 5.011,660 5.081,661 5.153,662 9.53,663 0.637,664 483.64,665 3.714,666 5.252,667 6.089,668 6.957,669 7.807,670 8.678,671 9.533,672 10.407,673 11.265,674 12.14,675 7.6,678 1,681 1,682 2,685 1,687 2,688 13,689 1,693 6,695 23,709 1,713 1,714 66,716 24,717 3,718 40,720 70,721 29,722 21,723 7,724 11,730 5,731 6,735 1,736 1,743 1,745 22,746 7,750 1,755 1,759 1,762 1,764 30,765 7,766 2,767 7,773 5,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,825 1,827 36,833 6,834 2,838 2,846 1,847 1.5,850 1,854 17.667,855 11.993,856 7.833,857 4.005,858 4.325,859 1.508,860 1.017,861 7.452,862 12.833,863 3.98,864 4.57,865 5.109,866 5.695,867 6.232,868 6.401,869 6.676,870 7.023,871 7.264,872 7.263,873 0.909,874 55,875 13.337,877 5.669,878 7.694,879 25.758,881 21.308,883 2.194,884 79,888 329.591,889 177.406,890 59.056,892 25.145,893 14.96,895 177.406,896 354.736,897 74.016,898 8.825,899 49.085,900 123.191,901 41.93,902 34.299,903 19.236,904 329.591,906 329.591,907 236.462,908 40.105,911 321.009,912 48.687,915 65.935,916 153.741,917 16.786,919 344.551,920 84.201,921 177.406,924 329.591,925 45.39,926 138.265,927 36.022,928 56.891,929 329.591,930 99.161,931 177.406,933 0.579,934 0.327,935 0.181,936 0.101,937 26,938 11,939 0.086,940 6,941 1,942 1.071,943 4.87,944 331.952,945 0.071,946 28,947 177.362,951 24.237,952 11.069,953 6.22,954 2.26,955 99.161,956 24.336,957 4.676,961 4.2,963 36.022,964 606.158,965 52.5,970 12.294,974 -0.396,975 65.836,976 74.438,977 0.249,978 0.561,979 0.73,980 0.889,981 0.918,982 0.928,983 5.208,984 1.967,985 6.057,986 5.733,987 4.71,988 5.257,989 2.044,990 6.821,991 4.638,992 6.398,993 1.692,994 7.58,995 5.518,996 4.205,997 4.987,998 1.404,999 7.591,1000 4.074,1001 7.688,1002 1.595,1003 9.197,1004 4.551,1005 6.26,1006 7.425,1007 2.494,1008 10.678,1009 6.113,1010 9.007,1011 1.417,1012 10.87,1013 4.479,1014 6.538,1015 7.964,1016 2.382,1017 12.303,1018 6.336,1019 10.357,1020 1.213,1021 12.58,1022 3.466,1023 8.058,1024 9.891,1025 3.264,1026 14.908,1027 7.842,1028 11.728,1029 1.172,1030 14.319,1031 2.66,1032 8.731,1033 10.861,1034 3.421,1035 16.939,1036 8.467,1037 13.118,1038 1,1039 16.08,1040 2.577,1041 10.012,1042 12.552,1043 4.161,1044 19.383,1045 9.732,1046 3.139,1047 0.859,1048 17.859,1049 2.275,1050 10.894,1051 13.763,1052 4.467,1053 21.607,1054 10.574,1055 2.775,1056 10.856,1057 19.655,1058 2.036,1059 12.069,1060 15.339,1061 5.113,1062 24.001,1063 11.729,1064 2.674,1065 8.02,1066 21.465,1067 4.474,1068 13.062,1069 16.682,1070 5.504,1071 26.313,1072 12.689,1073 2.624,1074 7.976,1075 23.287,1076 3.695,1077 14.193,1078 18.206,1079 6.091,1080 28.694,1081 13.797,1082 2.395,1083 7.584,1084 25.12,1085 3.649,1086 15.246,1087 19.619,1088 6.531,1089 31.045,1090 14.819,1091 2.275,1092 6.918,1093 26.962,1094 3.249,1095 16.363,1096 21.121,1097 7.083,1098 33.425,1099 15.912,1100 2.048,1101 6.345,1102 28.813,1103 2.899,1104 17.449,1105 22.573,1106 7.551,1107 35.794,1108 16.968,1109 22388,1110 35825,1111 27.334,1112 44.319,1113 59.288,1114 60.109,1115 60.333,1116 59.043,1117 58.938,1118 76.924,1119 7.006,1120 164.999,1121 56.877,1122 5.551,1123 5.564,1124 6.252,1125 5.176,1126 5.139,1127 7.474,1128 2.912,1129 18.031,1130 5.046,1131 14.825,1132 1.482,1133 1.503,1134 1.508,1135 1.476,1136 1.473,1137 1.923,1138 0.175,1139 4.125,1140 1.422,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 8.201,1146 4.022,1147 3.964,1148 4,1149 3.906,1150 3.881,1151 7.431,1152 3.881,1153 3.893,1154 3.927,1155 3.835,1156 3.813,1157 4.984,1158 3.814,1159 3.78,1160 3.847,1161 3.674,1162 3.595,1163 4.753,1164 3.605,1165 3.522,1166 3.576,1167 3.424,1168 3.415,1169 4.657,1170 3.408,1171 3.447,1172 3.498,1173 3.379,1174 3.227,1175 4.44,1176 3.242,1177 3.309,1178 3.376,1179 3.169,1180 3.092,1181 4.285,1182 3.12,1183 3.111,1184 3.206,1185 2.941,1186 2.951,1187 4.023,1188 2.937,1189 0.114,1190 0.089,1191 0.167,1192 0.103,1193 0.078,1194 4.551,1195 0.112,1196 3.564,1197 0.041,1198 6.695,1199 0.271,1200 4.108,1201 0.076,1202 3.139,1203 4.474,1204 1.656,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.932,1214 1.902,1215 2.055,1216 2.044,1217 1.238,1218 2.048,1219 1.874,1220 1.846,1221 1.98,1222 1.988,1223 1.146,1224 1.987,1225 1.74,1226 1.671,1227 1.935,1228 1.935,1229 1.046,1230 1.94,1231 1.523,1232 1.474,1233 1.734,1234 1.674,1235 0.873,1236 1.694,1237 1.377,1238 1.313,1239 1.632,1240 1.613,1241 0.825,1242 1.608,1243 1.237,1244 1.184,1245 1.513,1246 1.502,1247 0.802,1248 1.493,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.429,1255 4.394,1257 5.707,1259 7.21,1261 8.8,1263 10.436,1265 2.026,1267 13.338,1271 5.832,1272 5.491,1276 4.943,1280 42.053,1281 99.232,1282 223.751,1283 291.34,1284 354.665,1285 366.175,1286 370.175,1287 58.971,1288 8.508,1289 60.5,1290 60.5,1291 30,1292 12.683,1293 4.644,1294 3.755,1295 54.961,1296 211,1297 180,1298 0.124,1299 256.019,1300 443.04,1301 616.445,1302 78407,1303 1.5,1304 24.907,1305 0.692,1306 0.566,1307 24.037,1308 20.376,1309 17.53,1310 0.438,1311 0.307,1312 12.148,1313 16.941,1314 11.869,1315 9.81,1316 17.136,1317 12.296,1318 15.908,1319 0.289,1320 0.167,1321 15.274,1322 9.165,1323 12.854,1324 0.184,1325 0.094,1326 12.533,1327 6.545,1328 11.096,1329 0.121,1330 0.051,1331 10.745,1332 4.68,1333 8.993,1334 0.078,1335 0.029,1336 8.864,1337 3.328,1338 0.205,1339 109.035,1340 0.191,1341 33.957,1342 0.315,1343 190,1344 543.448,1345 206.869,1346 509.506,1347 697.28,1348 478,1349 220,1350 514.223,1351 235.784,1352 518.136,1353 752.86,1354 489,1355 9.2} {0 CHEMBL1631537,1 1.504,2 16.889,3 5.222,4 27.264,5 141.066,6 7.328,7 0.575,8 4.28,9 4.409,10 3.839,11 3.837,12 5.357,13 3.812,14 4.82,15 5.002,16 4.192,17 4.228,18 5.888,19 4.179,20 5.103,21 5.325,22 4.225,23 4.385,24 6.093,25 4.303,26 5.159,27 5.402,28 4.141,29 4.383,30 6.078,31 4.261,32 5.183,33 5.444,34 4.1,35 4.348,36 6.099,37 4.224,38 5.115,39 5.372,40 4.021,41 4.291,42 6.015,43 4.164,44 5.043,45 5.302,46 3.94,47 4.217,48 6.03,49 4.081,50 4.947,51 5.208,52 3.815,53 4.146,54 5.791,55 4.001,56 0.029,57 1.05,58 13.542,59 5.878,60 7.453,61 7.868,62 0.267,63 1.711,64 25.5,65 9.647,66 29.016,67 13.388,68 0.39,69 2.149,70 36.267,71 12.727,72 48.997,73 17.64,74 0.268,75 2.118,76 38.965,77 14.946,78 47.497,79 21.027,80 0.433,81 2.062,82 41.319,83 14.564,84 61.873,85 21.03,86 0.358,87 1.963,88 38.277,89 13.793,90 52.738,91 19.615,92 0.555,93 1.834,94 35.925,95 12.75,96 84.116,97 18.374,98 0.344,99 1.666,100 32.316,101 12.114,102 41.382,103 17.241,104 10,105 55,106 0.236,107 0.533,108 0.687,109 0.833,110 0.857,111 0.862,112 3.615,113 0.922,114 -5,115 -4.9,116 -4.59,119 43.9,120 1,121 1,125 5,140 13,141 2,142 4,144 2,157 1,169 11,172 7,174 2,175 1,176 4,178 13,181 1,182 5,186 4,189 9,192 1,193 9,197 6,199 6,203 8,208 4,211 2,215 7,218 1,220 2,222 5,225 1,226 4,233 10,236 1,237 1,240 1,244 12,249 3,252 1,256 12,259 2556,260 24.549,261 24.549,262 24.549,263 24.549,264 24.549,265 21.607,266 31.27,267 14.59,268 24.998,269 19.791,270 19.791,271 19.791,272 19.791,273 19.791,274 15.415,275 43.462,276 7.01,277 20.536,278 4.541,279 2.654,280 1.668,281 0.739,282 0.587,283 0.557,284 4.325,289 1,290 1340,291 3.464,295 603.121,299 183.205,302 2.679,303 28.603,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 77,315 608,316 4.551,317 3.563,318 6.695,319 4.108,320 3.139,321 4.474,322 1.656,323 10.856,324 3.046,325 4.112,326 3.28,327 5.808,328 3.743,329 2.768,330 3.69,331 0.8,332 8.015,333 2.699,334 4.022,335 2.923,336 5.674,337 3.618,338 2.662,339 3.621,340 0.8,341 7.955,342 2.558,343 3.856,344 2.912,345 5.493,346 3.567,347 2.614,348 3.249,349 0.247,350 7.41,351 2.467,352 3.666,353 2.788,354 5.33,355 3.342,356 2.395,357 2.932,359 6.906,360 2.271,361 3.53,362 2.622,363 5.11,364 3.248,365 2.29,366 2.736,368 6.307,369 2.18,370 3.382,371 2.396,372 4.961,373 3.026,374 2.066,375 2.649,377 5.765,378 1.976,379 3.311,380 2.269,381 4.906,382 2.962,383 2.007,384 2.48,386 5.703,387 1.906,388 3.15,389 2.2,390 4.561,391 2.721,392 1.727,393 2.33,395 4.687,396 1.697,397 3.026,398 1.651,399 4.523,400 2.573,401 1.595,402 2.239,404 4.486,405 1.558,406 2.775,407 1.476,408 4.036,409 2.397,410 1.417,411 1.845,413 3.466,414 1.385,415 2.667,416 1.279,417 3.504,418 2.201,419 1.205,420 1.739,422 2.652,423 1.199,424 2.5,425 1.146,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.257,434 1,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 0.912,444 3.372,445 1.839,446 0.859,447 1,449 2.036,450 0.84,451 17.119,452 0.476,453 0.814,454 0.023,455 48.5,456 1.347,457 25,458 0.694,459 23.5,460 0.653,461 30.191,462 0.839,463 38.081,464 0.577,465 37.469,466 1.041,467 9.715,468 0.27,469 7.815,470 0.217,471 0.065,473 0.31,477 1,479 0.694,480 1.221,481 0.786,482 1.056,483 0.54,484 0.952,485 0.736,486 1.089,487 0.893,488 0.997,489 0.488,490 0.966,491 1.124,492 0.991,493 1.106,494 0.976,495 0.9,496 1.014,497 0.727,498 1.047,499 0.99,500 1.145,501 0.657,502 1.115,503 0.78,504 0.82,505 0.945,506 0.951,507 0.748,508 0.967,509 0.847,510 0.913,511 1.017,512 1.023,513 0.824,514 1.04,515 0.671,516 0.807,517 1.009,518 0.973,519 0.604,520 1.027,521 0.686,522 0.861,523 1.018,524 1.015,525 0.662,526 1.058,527 7.5,528 0.186,529 3.333,530 2,531 1.853,532 0.951,533 0.725,534 0.394,535 0.307,536 0.215,537 24360,538 62044,539 2.137,540 45.5,542 23,545 2,546 3,547 2,550 1.767,551 2.038,552 3.993,553 0.121,559 99.232,560 1.504,561 3.39,562 4.377,563 5.306,564 5.457,565 5.488,566 3.462,567 4.461,568 5.142,569 4.194,570 2642.02,571 8.994,572 45817.8,577 398.93,578 1.256,579 5.118,580 0.188,581 0.006,582 0.061,583 0.036,584 0.038,585 0.02,586 0.017,587 0.01,588 0.009,589 0.007,590 0.391,591 0.17,592 0.75,593 0.442,594 202.544,595 -0.026,596 -0.143,597 0.053,598 -0.034,599 -0.028,600 0.011,601 0.073,602 -0.048,603 0.013,604 -0.024,605 0.106,606 -0.018,607 -0.151,608 0.036,609 -0.145,610 -0.018,611 -0.064,612 -0.065,613 0.011,614 -0.141,615 -0.039,616 -0.15,617 0.039,618 -0.111,619 0.009,620 0.004,621 0.032,622 0.014,623 0.02,624 0.025,625 -0.042,626 -0.045,627 -0.044,628 -0.052,629 -0.05,630 -0.048,631 0.135,632 0.067,633 -0.033,634 -0.004,635 0.146,636 -0.036,637 0.018,638 0.011,639 -0.056,640 -0.027,641 -0.028,642 -0.05,643 2.02,644 5.297,645 0.778,646 48.222,647 0.998,648 1.128,649 3.769,650 14.208,651 0.671,652 3.714,653 4.025,654 4.263,655 4.522,656 4.771,657 4.779,658 4.89,659 4.997,660 5.088,661 5.147,662 9.595,663 0.637,664 483.64,665 3.714,666 5.252,667 6.089,668 6.956,669 7.806,670 8.675,671 9.532,672 10.402,673 11.263,674 12.135,675 7.6,678 1,681 1,682 2,685 1,687 2,688 13,689 1,693 6,695 23,709 1,713 1,714 66,716 24,717 3,718 40,720 70,721 29,722 21,723 7,724 11,730 5,731 6,735 1,736 1,743 1,745 22,746 7,750 1,755 1,759 1,762 1,764 30,765 7,766 2,767 7,773 5,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,825 1,827 36,833 6,834 2,838 2,846 1,847 1.5,850 1,854 17.667,855 11.993,856 7.833,857 4.005,858 4.316,859 1.507,860 1.017,861 7.452,862 12.824,863 3.98,864 4.57,865 5.109,866 5.687,867 6.241,868 6.392,869 6.692,870 7.009,871 7.267,872 7.259,873 1,874 55,875 13.329,877 5.659,878 7.694,879 25.758,881 21.308,883 2.194,884 79,888 329.591,889 177.406,890 59.056,892 25.145,893 14.96,895 177.406,896 354.736,897 74.016,898 8.825,899 49.085,900 123.191,901 41.93,902 34.299,903 19.236,904 329.591,906 329.591,907 236.462,908 40.105,911 321.009,912 48.687,915 65.935,916 153.741,917 16.786,919 344.551,920 84.201,921 177.406,924 329.591,925 45.39,926 138.265,927 36.022,928 56.891,929 329.591,930 99.161,931 177.406,933 0.579,934 0.328,935 0.178,936 0.102,937 26,938 11,939 0.086,940 6,941 1,942 1.071,943 4.881,944 331.276,945 0.071,946 28,947 176.117,951 24.237,952 11.069,953 6.22,954 2.263,955 99.161,956 24.241,957 4.677,961 4.411,963 36.022,964 606.158,965 52.5,970 12.297,974 -0.353,975 65.836,976 74.438,977 0.249,978 0.561,979 0.724,980 0.878,981 0.903,982 0.908,983 5.208,984 2.007,985 6.057,986 5.765,987 4.71,988 5.257,989 2.044,990 6.819,991 4.638,992 6.398,993 1.727,994 7.58,995 5.703,996 4.205,997 4.987,998 1.404,999 7.591,1000 4.074,1001 7.688,1002 1.595,1003 9.197,1004 4.687,1005 6.26,1006 7.425,1007 2.494,1008 10.67,1009 6.113,1010 9.007,1011 1.417,1012 10.869,1013 4.486,1014 6.538,1015 7.964,1016 2.382,1017 12.297,1018 6.336,1019 10.357,1020 1.205,1021 12.578,1022 3.466,1023 8.056,1024 9.89,1025 3.264,1026 14.898,1027 7.84,1028 11.727,1029 1,1030 14.316,1031 2.652,1032 8.726,1033 10.857,1034 3.421,1035 16.931,1036 8.463,1037 13.116,1038 1,1039 16.076,1040 2.275,1041 10.007,1042 12.548,1043 4.161,1044 19.374,1045 9.727,1046 3.139,1047 0.859,1048 17.854,1049 2.275,1050 10.886,1051 13.756,1052 4.467,1053 21.6,1054 10.568,1055 2.768,1056 10.856,1057 19.649,1058 2.036,1059 12.06,1060 15.333,1061 5.113,1062 23.994,1063 11.723,1064 2.662,1065 8.015,1066 21.459,1067 4.474,1068 13.052,1069 16.675,1070 5.504,1071 26.308,1072 12.681,1073 2.614,1074 7.955,1075 23.28,1076 3.69,1077 14.183,1078 18.2,1079 6.091,1080 28.69,1081 13.79,1082 2.395,1083 7.41,1084 25.113,1085 3.621,1086 15.235,1087 19.613,1088 6.531,1089 31.042,1090 14.812,1091 2.29,1092 6.906,1093 26.955,1094 3.249,1095 16.353,1096 21.116,1097 7.083,1098 33.423,1099 15.905,1100 2.066,1101 6.307,1102 28.806,1103 2.932,1104 17.438,1105 22.567,1106 7.551,1107 35.792,1108 16.961,1109 22512,1110 36155,1111 27.334,1112 44.319,1113 59.349,1114 60.48,1115 60.349,1116 59.121,1117 59.083,1118 77.107,1119 7.006,1120 165.439,1121 57.02,1122 5.551,1123 5.563,1124 6.251,1125 5.176,1126 5.139,1127 7.474,1128 2.912,1129 18.031,1130 5.046,1131 14.918,1132 1.484,1133 1.512,1134 1.509,1135 1.478,1136 1.477,1137 1.928,1138 0.175,1139 4.136,1140 1.425,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 8.201,1146 4.022,1147 3.964,1148 3.999,1149 3.906,1150 3.881,1151 7.431,1152 3.881,1153 3.892,1154 3.927,1155 3.834,1156 3.813,1157 4.984,1158 3.814,1159 3.78,1160 3.847,1161 3.674,1162 3.595,1163 4.753,1164 3.605,1165 3.522,1166 3.576,1167 3.425,1168 3.415,1169 4.657,1170 3.408,1171 3.449,1172 3.499,1173 3.383,1174 3.226,1175 4.44,1176 3.242,1177 3.31,1178 3.377,1179 3.171,1180 3.092,1181 4.285,1182 3.121,1183 3.111,1184 3.206,1185 2.943,1186 2.951,1187 4.008,1188 2.937,1189 0.114,1190 0.089,1191 0.167,1192 0.103,1193 0.078,1194 4.551,1195 0.112,1196 3.563,1197 0.041,1198 6.695,1199 0.271,1200 4.108,1201 0.076,1202 3.139,1203 4.474,1204 1.656,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.932,1214 1.902,1215 2.055,1216 2.044,1217 1.238,1218 2.048,1219 1.874,1220 1.846,1221 1.98,1222 1.988,1223 1.146,1224 1.987,1225 1.74,1226 1.671,1227 1.934,1228 1.935,1229 1.047,1230 1.94,1231 1.523,1232 1.474,1233 1.734,1234 1.674,1235 0.872,1236 1.694,1237 1.377,1238 1.313,1239 1.632,1240 1.613,1241 0.825,1242 1.607,1243 1.234,1244 1.183,1245 1.513,1246 1.502,1247 0.802,1248 1.491,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.429,1255 4.394,1257 5.707,1259 7.21,1261 8.799,1263 10.433,1265 2.027,1267 13.051,1271 5.861,1272 5.575,1276 4.95,1280 42.053,1281 99.232,1282 223.751,1283 288.85,1284 350.175,1285 360.175,1286 362.175,1287 58.245,1288 8.508,1289 60.5,1290 60.5,1291 30,1292 12.679,1293 4.644,1294 3.755,1295 54.974,1296 212,1297 208,1298 0.123,1299 256.019,1300 443.04,1301 616.445,1302 78407,1303 1.5,1304 24.907,1305 0.692,1306 0.566,1307 24.037,1308 20.376,1309 17.53,1310 0.438,1311 0.307,1312 12.148,1313 16.941,1314 11.869,1315 9.809,1316 17.136,1317 12.296,1318 15.896,1319 0.289,1320 0.167,1321 15.274,1322 9.162,1323 12.944,1324 0.185,1325 0.094,1326 12.533,1327 6.565,1328 10.887,1329 0.12,1330 0.051,1331 10.745,1332 4.647,1333 9.155,1334 0.078,1335 0.029,1336 8.864,1337 3.348,1338 0.204,1339 109.035,1340 0.191,1341 33.998,1342 0.313,1343 190,1344 543.448,1345 206.869,1346 509.441,1347 697.26,1348 478,1349 220,1350 514.223,1351 235.784,1352 517.999,1353 752.57,1354 489,1355 9.3} {0 CHEMBL1631538,1 1.45,2 14.613,3 4.436,4 19.674,5 123.871,6 6.862,7 0.5,8 4.189,9 4.319,10 3.694,11 3.711,12 5.202,13 3.678,14 4.752,15 4.947,16 4.029,17 4.094,18 5.753,19 4.034,20 4.998,21 5.227,22 4.061,23 4.263,24 5.876,25 4.169,26 5.056,27 5.293,28 4.014,29 4.288,30 5.934,31 4.16,32 5.118,33 5.381,34 3.946,35 4.264,36 5.956,37 4.127,38 5.031,39 5.292,40 3.861,41 4.198,42 5.838,43 4.049,44 4.976,45 5.246,46 3.703,47 4.093,48 5.759,49 3.932,50 4.849,51 5.121,52 3.571,53 3.973,54 5.61,55 3.802,56 0.04,57 0.892,58 13.734,59 5.581,60 7.928,61 7.809,62 0.413,63 1.442,64 25.955,65 8.854,66 36.584,67 13.012,68 0.367,69 1.768,70 33.759,71 11.493,72 33.496,73 16.86,74 0.252,75 1.811,76 35.444,77 13.375,78 39.519,79 19.35,80 0.388,81 1.83,82 38.92,83 13.515,84 49.868,85 19.799,86 0.288,87 1.716,88 35.152,89 12.779,90 36.643,91 18.791,92 0.355,93 1.582,94 33.795,95 11.739,96 40.398,97 17.316,98 0.364,99 1.386,100 29.704,101 10.535,102 32.76,103 15.623,104 14,105 46,106 0.234,107 0.541,108 0.736,109 0.852,110 0.863,111 0.863,112 3.471,113 0.969,114 -3.78,115 -3.75,116 -3.56,119 41,120 2,121 1,125 6,140 9,141 2,142 2,144 2,157 1,169 9,171 1,172 8,174 2,176 2,178 11,181 1,182 5,186 2,189 7,192 1,193 10,197 3,199 6,203 8,211 2,215 9,218 1,222 3,225 1,226 4,233 4,236 2,237 1,244 6,249 3,252 1,256 8,259 1653,260 21.248,261 21.248,262 21.248,263 21.248,264 21.248,265 19.082,266 26.756,267 12.8,268 21.803,269 16.79,270 16.79,271 16.79,272 16.79,273 16.79,274 13.493,275 35.727,276 6.044,277 17.569,278 4.48,279 2.576,280 1.365,281 0.648,282 0.582,283 0.582,284 4.172,288 1,289 1,290 979,291 3.464,295 389.013,299 150.427,302 2.231,303 19.723,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 453,316 4.551,317 3.651,318 6.695,319 4.108,320 3.139,321 4.474,322 2.186,323 10.856,324 3.046,325 4.097,326 3.28,327 5.808,328 3.722,329 2.746,330 3.684,331 0.8,332 8.009,333 2.684,334 3.856,335 2.918,336 5.652,337 3.578,338 2.64,339 3.249,340 0.8,341 7.897,342 2.469,343 3.666,344 2.79,345 5.342,346 3.359,347 2.413,348 2.884,349 0.366,350 6.938,351 2.275,352 3.524,353 2.623,354 5.149,355 3.249,356 2.298,357 2.734,359 6.414,360 2.171,361 3.345,362 2.275,363 4.96,364 3.004,365 2.042,366 2.525,368 5.73,369 1.957,370 3.22,371 2.21,372 4.695,373 2.855,374 1.887,375 2.408,377 5.146,378 1.814,379 3.027,380 1.811,381 4.557,382 2.573,383 1.597,384 2.241,386 4.489,387 1.558,388 2.776,389 1.651,390 4.036,391 2.398,392 1.418,393 1.846,395 3.466,396 1.386,397 2.67,398 1.476,399 3.508,400 2.213,401 1.226,402 1.744,404 2.666,405 1.208,406 2.257,407 1.279,408 3.414,409 1.967,410 1,411 1.169,413 2.275,414 0.965,415 2.119,416 1.146,417 3.372,418 1.938,419 1,420 1.071,422 2.036,423 0.922,424 2,425 0.912,426 3.198,427 1.839,428 0.859,429 1,431 1.666,432 0.84,433 1.766,434 0.733,435 3.076,436 1.6,437 0.623,438 0.698,440 1.498,441 0.608,442 1.184,443 0.55,444 2.628,445 0.829,446 -0.136,447 -0.161,449 -0.312,450 -0.129,451 14.767,452 0.476,453 0.639,454 0.021,455 38.75,456 1.25,457 18.5,458 0.597,459 20.25,460 0.653,461 27.239,462 0.879,463 33.833,464 0.555,465 28.363,466 0.915,467 7.683,468 0.248,469 7.436,470 0.24,471 0.09,473 0.291,479 0.817,480 1.456,481 0.856,482 1.189,483 0.622,484 1.048,485 0.903,486 1.121,487 0.94,488 0.944,489 0.489,490 0.936,491 1.161,492 0.973,493 1.068,494 0.926,495 0.835,496 0.965,497 0.767,498 1.174,499 1.024,500 1.18,501 0.84,502 1.141,503 1.087,504 0.956,505 1.021,506 0.954,507 1.201,508 0.975,509 0.765,510 1.076,511 1.021,512 1.105,513 0.737,514 1.093,515 0.996,516 0.998,517 1.09,518 1.029,519 0.997,520 1.065,521 0.77,522 1.001,523 1.055,524 1.043,525 0.8,526 1.079,527 6,528 0.124,529 2.889,530 1.75,531 1.511,532 0.778,533 0.584,534 0.375,535 0.221,536 0.182,537 14832,538 35177,539 2.104,540 49.2,542 21,545 1,546 3,547 5,550 1.73,551 2,552 3.792,553 -0.393,555 1,559 88.472,560 1.45,561 3.355,562 4.566,563 5.283,564 5.349,565 5.349,566 3.256,567 4.736,568 4.925,569 3.97,570 1846.15,571 8.566,572 27926.6,574 1,577 361.775,578 1.277,579 4.899,580 0.176,581 0.005,582 0.063,583 0.037,584 0.035,585 0.019,586 0.016,587 0.013,588 0.009,589 0.008,590 0.381,591 0.5,592 1,593 1.125,594 165.186,595 0.004,596 -0.236,597 0.069,598 -0.091,599 -0.019,600 -0.018,601 0.186,602 0.018,603 0.043,604 0.054,605 0.213,606 0.035,607 -0.149,608 0.109,609 -0.086,610 0.053,611 -0.073,612 0.004,613 0.006,614 -0.159,615 -0.072,616 -0.162,617 0.046,618 -0.133,619 -0.105,620 0.014,621 -0.035,622 0.022,623 -0.094,624 0.006,625 -0.004,626 -0.091,627 -0.06,628 -0.113,629 -0.031,630 -0.096,631 -0.084,632 -0.032,633 -0.109,634 -0.06,635 -0.128,636 -0.085,637 0.054,638 -0.043,639 -0.084,640 -0.064,641 -0.04,642 -0.09,643 2.074,644 4.625,645 0.71,646 35.193,647 0.993,648 1.128,649 2.555,650 6.528,651 0.653,652 3.555,653 3.85,654 4.094,655 4.357,656 4.595,657 4.635,658 4.745,659 4.86,660 4.934,661 4.97,662 8.288,663 0.613,664 418.59,665 3.555,666 5.081,667 5.916,668 6.781,669 7.633,670 8.504,671 9.364,672 10.238,673 11.103,674 11.979,675 6.6,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,710 1,714 61,716 18,717 2,718 34,720 64,721 25,722 15,723 5,724 7,730 4,731 5,736 2,743 1,745 16,746 9,750 1,755 1,759 1,761 1,764 30,765 6,766 1,767 6,773 4,777 0.75,778 2,786 1,793 4,797 1,815 1,819 3,823 2,827 31,833 7,834 1,835 1,838 2,847 3.3,850 1,852 1,854 15.5,855 11.433,856 6.917,857 3.914,858 3.409,859 1.428,860 0.983,861 7.054,862 11.372,863 3.795,864 4.357,865 4.9,866 5.483,867 6.036,868 6.252,869 6.566,870 6.893,871 7.148,872 7.037,873 0.9,874 47,875 11.467,877 4.738,878 7.57,879 22.452,881 18.291,883 2.07,884 64.167,887 1,888 341.362,889 143.527,890 41.045,892 36.145,895 143.527,896 377.507,897 41.045,898 17.65,899 35.666,900 85.286,901 41.93,902 33.421,903 6.763,904 341.362,906 341.362,907 184.572,908 36.145,911 282.506,912 95,915 61.342,916 106.445,917 16.786,919 341.362,920 77.19,921 143.527,924 341.362,925 40.591,926 109.185,927 18.011,928 52.93,929 341.362,930 77.19,931 143.527,933 0.57,934 0.325,935 0.18,936 0.099,937 21,938 9,939 0.109,940 7,941 1,942 1.091,943 4.375,944 268.049,945 0.091,946 22,947 147.58,951 21.603,952 10.123,953 5.547,954 2.295,955 77.19,956 18.683,957 4.673,961 4.325,963 18.011,964 562.079,965 43.5,970 11.625,974 -0.408,975 60.549,976 68.81,977 0.245,978 0.566,979 0.77,980 0.891,981 0.902,982 0.902,983 5.019,984 1.597,985 5.878,986 5.146,987 4.533,988 5.043,989 2.438,990 6.645,991 4.452,992 6.195,993 1.418,994 7.403,995 4.489,996 4.007,997 4.783,998 1.905,999 7.445,1000 3.882,1001 7.482,1002 1.226,1003 9.026,1004 3.466,1005 6.08,1006 7.204,1007 3.518,1008 10.536,1009 5.92,1010 8.801,1011 1,1012 10.707,1013 2.666,1014 6.365,1015 7.789,1016 3.607,1017 12.204,1018 6.163,1019 10.153,1020 1,1021 12.428,1022 2.275,1023 7.889,1024 9.695,1025 4.909,1026 14.814,1027 7.66,1028 11.529,1029 0.859,1030 14.179,1031 2.036,1032 8.577,1033 10.717,1034 5.291,1035 16.877,1036 8.313,1037 12.925,1038 0.623,1039 15.952,1040 1.666,1041 9.86,1042 12.395,1043 6.388,1044 19.328,1045 9.571,1046 3.139,1047 -0.136,1048 17.744,1049 1.498,1050 10.759,1051 13.649,1052 6.93,1053 21.57,1054 10.44,1055 2.746,1056 10.856,1057 19.552,1058 -0.312,1059 11.937,1060 15.222,1061 7.902,1062 23.971,1063 11.594,1064 2.64,1065 8.009,1066 21.374,1067 4.474,1068 12.946,1069 16.597,1070 8.539,1071 26.292,1072 12.575,1073 2.413,1074 7.897,1075 23.206,1076 3.684,1077 14.083,1078 18.123,1079 9.436,1080 28.678,1081 13.687,1082 2.298,1083 6.938,1084 25.049,1085 3.249,1086 15.149,1087 19.558,1088 10.13,1089 31.034,1090 14.726,1091 2.042,1092 6.414,1093 26.901,1094 2.884,1095 16.273,1096 21.064,1097 10.981,1098 33.417,1099 15.825,1100 1.887,1101 5.73,1102 28.76,1103 2.734,1104 17.369,1105 22.529,1106 11.71,1107 35.788,1108 16.893,1109 14115,1110 21848,1111 23.057,1112 39.83,1113 49.926,1114 50.95,1115 51.158,1116 49.793,1117 49.777,1118 63.452,1119 8.305,1120 138.174,1121 47.804,1122 5.551,1123 5.651,1124 6.467,1125 5.176,1126 5.139,1127 7.474,1128 3.889,1129 18.031,1130 5.046,1131 13.611,1132 1.468,1133 1.499,1134 1.505,1135 1.464,1136 1.464,1137 1.866,1138 0.244,1139 4.064,1140 1.406,1141 4.094,1142 4.128,1143 4.052,1144 4.015,1145 7.435,1146 4.02,1147 3.949,1148 3.984,1149 3.884,1150 3.874,1151 4.983,1152 3.871,1153 3.781,1154 3.849,1155 3.674,1156 3.595,1157 4.753,1158 3.605,1159 3.577,1160 3.617,1161 3.48,1162 3.415,1163 4.464,1164 3.408,1165 3.516,1166 3.57,1167 3.41,1168 3.317,1169 4.44,1170 3.337,1171 3.358,1172 3.434,1173 3.197,1174 3.2,1175 4.285,1176 3.188,1177 3.221,1178 3.281,1179 3.069,1180 2.971,1181 3.983,1182 2.994,1183 3.111,1184 3.206,1185 2.935,1186 2.943,1187 3.901,1188 2.933,1189 0.134,1190 0.107,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.651,1197 0.064,1198 6.695,1199 0.319,1200 4.108,1201 0.09,1202 3.139,1203 4.474,1204 2.186,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.929,1214 1.899,1215 2.054,1216 2.037,1217 1.237,1218 2.044,1219 1.74,1220 1.672,1221 1.935,1222 1.943,1223 1.146,1224 1.945,1225 1.524,1226 1.475,1227 1.805,1228 1.77,1229 0.939,1230 1.774,1231 1.495,1232 1.438,1233 1.734,1234 1.667,1235 0.871,1236 1.692,1237 1.361,1238 1.291,1239 1.63,1240 1.564,1241 0.825,1242 1.589,1243 1.153,1244 1.074,1245 1.513,1246 1.427,1247 0.802,1248 1.429,1249 1.125,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.401,1255 4.234,1257 5.533,1259 7.031,1261 8.621,1263 10.261,1265 3.835,1271 6.428,1272 2.777,1273 4.953,1276 4.981,1280 37.364,1281 88.472,1282 204.668,1283 278.517,1284 322.265,1285 326.265,1286 326.265,1287 43.926,1288 7.963,1289 57.7,1290 57.7,1291 24,1292 12.52,1293 4.248,1294 3.392,1295 49.859,1296 157,1297 162,1298 0.154,1299 229.828,1300 396.74,1301 552.542,1302 36837,1304 21.631,1305 0.698,1306 0.59,1307 21.631,1308 18.304,1309 15.119,1310 0.445,1311 0.323,1312 10.846,1313 14.563,1314 10.549,1315 8.742,1316 15.119,1317 10.986,1318 13.323,1319 0.29,1320 0.172,1321 13.323,1322 7.921,1323 10.854,1324 0.184,1325 0.097,1326 10.854,1327 5.727,1328 9.268,1329 0.12,1330 0.053,1331 9.268,1332 4.106,1333 7.49,1334 0.076,1335 0.03,1336 7.49,1337 2.946,1338 0.251,1339 94.201,1340 0.208,1341 29.831,1342 0.397,1343 160,1344 422.739,1345 174.692,1346 408.686,1347 566.1,1348 386,1349 185,1350 420.091,1351 198.7,1352 424.796,1353 620.09,1354 401,1355 9.9} {0 CHEMBL1631539,1 1.385,2 13.3,3 3.649,4 13.318,5 122.396,6 6.71,7 0.515,8 4.164,9 4.299,10 3.655,11 3.707,12 5.158,13 3.662,14 4.731,15 4.941,16 4.004,17 4.098,18 5.655,19 4.034,20 4.983,21 5.205,22 4.073,23 4.294,24 5.892,25 4.197,26 5.09,27 5.327,28 3.989,29 4.349,30 5.935,31 4.2,32 5.17,33 5.453,34 3.915,35 4.32,36 5.921,37 4.15,38 5.053,39 5.326,40 3.791,41 4.208,42 5.82,43 4.034,44 4.964,45 5.252,46 3.614,47 4.053,48 5.699,49 3.87,50 4.811,51 5.106,52 3.507,53 3.906,54 5.523,55 3.734,56 0.05,57 0.884,58 13.665,59 5.51,60 8.384,61 7.908,62 0.254,63 1.457,64 25.497,65 8.621,66 22.069,67 13.015,68 0.343,69 1.797,70 33.194,71 11.433,72 35.566,73 16.877,74 0.257,75 1.892,76 36.574,77 14.471,78 38.656,79 20.819,80 0.3,81 1.943,82 40.474,83 15.116,84 39.959,85 22.335,86 0.28,87 1.762,88 35.855,89 13.316,90 34.399,91 19.694,92 0.304,93 1.571,94 33.227,95 11.764,96 35.797,97 17.573,98 0.304,99 1.345,100 28.628,101 9.88,102 28.505,103 14.944,104 19,105 46,106 0.224,107 0.511,108 0.708,109 0.842,110 0.853,111 0.853,112 3.44,113 0.971,114 -4.15,115 -4.09,116 -3.87,119 41.7,120 2,121 1,124 1,125 5,140 9,141 2,142 2,144 2,156 1,169 9,171 1,172 11,178 11,181 1,182 7,189 7,192 1,193 9,199 8,203 6,211 4,214 1,215 7,222 3,225 1,226 4,233 2,236 1,237 2,244 4,248 1,249 3,256 8,259 1432,260 20.223,261 20.223,262 20.223,263 20.223,264 20.223,265 18.054,266 25.385,267 11.858,268 20.585,269 16.266,270 16.266,271 16.266,272 16.266,273 16.266,274 12.988,275 34.258,276 5.613,277 16.84,278 4.522,279 2.748,280 1.534,281 0.704,282 0.638,283 0.638,284 4.138,288 1,289 1,290 863,291 3.464,295 370.348,299 143.081,302 2.08,303 16.781,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 399,316 4.551,317 3.689,318 6.695,319 4.108,320 3.139,321 4.474,322 1.94,323 10.856,324 3.046,325 4.216,326 3.28,327 6.3,328 3.9,329 2.938,330 3.75,331 0.8,332 9.295,333 2.825,334 3.857,335 2.923,336 5.808,337 3.592,338 2.654,339 3.249,340 0.8,341 8.003,342 2.491,343 3.756,344 2.814,345 5.428,346 3.446,347 2.47,348 3.024,349 0.555,350 7.125,351 2.408,352 3.523,353 2.639,354 5.272,355 3.271,356 2.318,357 2.734,359 6.691,360 2.198,361 3.338,362 2.396,363 4.961,364 3.001,365 2.037,366 2.506,368 5.73,369 1.958,370 3.185,371 2.246,372 4.736,373 2.802,374 1.791,375 2.366,377 4.836,378 1.8,379 3.027,380 1.652,381 4.558,382 2.573,383 1.596,384 2.24,386 4.486,387 1.558,388 2.777,389 1.483,390 4.036,391 2.399,392 1.418,393 1.847,395 3.466,396 1.386,397 2.68,398 1.43,399 3.529,400 2.223,401 1.223,402 1.75,404 2.678,405 1.22,406 2.257,407 1.146,408 3.414,409 1.967,410 1,411 1.169,413 2.275,414 0.965,415 2,416 1.032,417 3.372,418 1.839,419 0.86,420 1,422 2.036,423 0.84,424 1.927,425 0.912,426 3.222,427 1.625,428 0.644,429 0.754,431 1.539,432 0.629,433 1.764,434 0.727,435 3.099,436 1.57,437 0.589,438 0.683,440 1.354,441 0.575,442 1.152,443 0.291,444 2.626,445 0.801,446 -0.177,447 -0.203,449 -0.437,450 -0.172,451 14.433,452 0.481,453 0.75,454 0.025,455 38,456 1.267,457 18.5,458 0.617,459 19.5,460 0.65,461 26.805,462 0.893,463 32.367,464 0.539,465 27.58,466 0.919,467 7.524,468 0.251,469 6.984,470 0.233,471 0.127,473 0.326,479 0.763,480 1.49,481 0.874,482 1.185,483 0.594,484 1.061,485 1.086,486 1.095,487 0.916,488 0.881,489 0.547,490 0.867,491 1.406,492 0.973,493 1.139,494 0.949,495 1.086,496 0.998,497 0.844,498 1.178,499 1.111,500 1.223,501 0.918,502 1.203,503 0.794,504 0.954,505 0.935,506 0.971,507 0.737,508 0.967,509 0.796,510 1.079,511 1.058,512 1.119,513 0.735,514 1.113,515 0.969,516 1.012,517 1.044,518 1.026,519 0.955,520 1.04,521 0.926,522 0.902,523 0.965,524 0.891,525 0.763,526 0.922,527 6,528 0.136,529 3.556,530 1.75,531 1.631,532 0.896,533 0.563,534 0.394,535 0.25,536 0.192,537 13235,538 29536,539 2.087,540 50,542 22,546 6,547 2,550 1.722,551 1.957,552 3.676,553 -0.825,555 1,559 83.11,560 1.385,561 3.158,562 4.373,563 5.202,564 5.269,565 5.269,566 3.099,567 4.257,568 4.881,569 3.868,570 1682.46,571 8.475,572 24502.1,574 1,577 354.413,578 1.4,579 4.839,580 0.182,581 0.006,582 0.077,583 0.036,584 0.039,585 0.023,586 0.017,587 0.015,588 0.01,589 0.008,590 0.413,591 0.5,592 1,593 0.878,594 157.293,595 0.048,596 -0.28,597 0.076,598 -0.099,599 -0.015,600 -0.026,601 0.011,602 0.056,603 0.081,604 0.1,605 0.097,606 0.101,607 -0.197,608 0.135,609 -0.138,610 0.028,611 -0.079,612 -0.035,613 -0.022,614 -0.177,615 -0.153,616 -0.196,617 -0.033,618 -0.192,619 -0.008,620 -0.015,621 0.034,622 0.015,624 0.027,625 0.001,626 -0.111,627 -0.09,628 -0.135,629 -0.041,630 -0.124,631 -0.029,632 -0.066,633 -0.059,634 -0.067,635 -0.089,636 -0.068,637 0.023,638 0.047,639 0.025,640 0.057,641 -0.003,642 0.044,643 1.609,644 4.616,645 0.733,646 31.182,647 0.987,648 1.127,649 2.921,650 8.532,651 0.656,652 3.526,653 3.85,654 4.111,655 4.344,656 4.595,657 4.625,658 4.736,659 4.836,660 4.905,661 4.949,662 7.835,663 0.611,664 402.59,665 3.526,666 5.069,667 5.916,668 6.788,669 7.651,670 8.526,671 9.395,672 10.272,673 11.143,674 12.021,675 6.7,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 60,716 18,717 2,718 33,720 63,721 25,722 15,723 5,724 7,730 4,731 5,736 2,743 1,745 16,746 9,750 1,755 1,759 1,761 1,764 30,765 5,767 5,773 4,777 0.75,778 1,786 1,793 4,797 1,806 1,815 1,819 3,823 3,827 30,833 6,838 3,847 1.7,850 1,854 15.333,855 11.717,856 6.556,857 3.714,858 3.401,859 1.431,860 0.987,861 6.24,862 11.297,863 3.773,864 4.357,865 4.914,866 5.485,867 6.048,868 6.261,869 6.579,870 6.881,871 7.128,872 7.022,873 0.889,874 48,875 11.104,877 4.607,878 7.522,879 21.883,881 18.027,883 2.022,884 60.667,887 1,888 353.133,889 145.274,890 26.158,892 25.145,895 145.274,896 378.278,897 26.158,898 26.047,899 16.187,900 85.286,901 46.635,902 22.422,904 353.133,906 353.133,907 171.432,908 25.145,911 329.591,912 48.687,915 41.863,916 112.784,917 16.786,919 353.133,920 51.303,921 145.274,924 353.133,925 33.941,926 120.706,928 41.93,929 353.133,930 51.303,931 145.274,933 0.585,934 0.34,935 0.177,936 0.099,937 22,938 10,939 0.079,940 5,941 1,942 1.091,943 4.212,944 261.204,945 0.091,946 22,947 136.452,951 20.679,952 9.053,953 4.784,954 2.313,955 51.303,956 19.029,957 4.678,961 4.589,964 549.71,965 42.5,970 11.616,974 0.057,975 59.221,976 67.6,977 0.235,978 0.535,979 0.74,980 0.881,981 0.892,982 0.892,983 5.012,984 1.596,985 5.9,986 4.836,987 4.533,988 5.043,989 2.263,990 6.696,991 4.465,992 6.205,993 1.418,994 7.453,995 4.486,996 4.111,997 4.832,998 1.803,999 7.573,1000 3.993,1001 7.503,1002 1.223,1003 9.105,1004 3.466,1005 6.116,1006 7.219,1007 3.014,1008 10.658,1009 5.972,1010 8.834,1011 1,1012 10.814,1013 2.678,1014 6.494,1015 7.834,1016 3.157,1017 12.369,1018 6.297,1019 10.197,1020 0.86,1021 12.562,1022 2.275,1023 7.973,1024 9.721,1025 4.14,1026 14.978,1027 7.753,1028 11.582,1029 0.644,1030 14.336,1031 2.036,1032 8.726,1033 10.756,1034 4.543,1035 17.049,1036 8.459,1037 12.987,1038 0.589,1039 16.13,1040 1.539,1041 9.987,1042 12.424,1043 5.383,1044 19.495,1045 9.697,1046 3.139,1047 -0.177,1048 17.94,1049 1.354,1050 10.926,1051 13.682,1052 5.912,1053 21.728,1054 10.595,1055 2.938,1056 10.856,1057 19.762,1058 -0.437,1059 12.095,1060 15.249,1061 6.67,1062 24.119,1063 11.739,1064 2.654,1065 9.295,1066 21.595,1067 4.474,1068 13.125,1069 16.624,1070 7.263,1071 26.426,1072 12.733,1073 2.47,1074 8.003,1075 23.436,1076 3.75,1077 14.259,1078 18.146,1079 7.976,1080 28.8,1081 13.84,1082 2.318,1083 7.125,1084 25.284,1085 3.249,1086 15.334,1087 19.579,1088 8.602,1089 31.142,1090 14.883,1091 2.037,1092 6.691,1093 27.138,1094 3.024,1095 16.456,1096 21.082,1097 9.292,1098 33.513,1099 15.977,1100 1.791,1101 5.73,1102 28.998,1103 2.734,1104 17.555,1105 22.546,1106 9.936,1107 35.872,1108 17.045,1109 12575,1110 18876,1111 22.076,1112 39.375,1113 49.654,1114 50.012,1115 50.797,1116 49.395,1117 49.356,1118 63.09,1119 8.192,1120 140.74,1121 47.8,1122 5.551,1123 5.689,1124 6.247,1125 5.176,1126 5.139,1127 7.474,1128 3.348,1129 18.031,1130 5.046,1131 15.104,1132 1.505,1133 1.516,1134 1.539,1135 1.497,1136 1.496,1137 1.912,1138 0.248,1139 4.265,1140 1.448,1141 4.095,1142 4.129,1143 4.053,1144 4.015,1145 7.428,1146 4.021,1147 3.959,1148 3.995,1149 3.896,1150 3.881,1151 4.983,1152 3.879,1153 3.784,1154 3.854,1155 3.677,1156 3.597,1157 4.736,1158 3.607,1159 3.581,1160 3.633,1161 3.485,1162 3.417,1163 4.44,1164 3.413,1165 3.512,1166 3.564,1167 3.407,1168 3.36,1169 4.285,1170 3.375,1171 3.325,1172 3.398,1173 3.172,1174 3.169,1175 4.073,1176 3.159,1177 3.12,1178 3.224,1179 2.944,1180 2.952,1181 3.965,1182 2.939,1183 3.111,1184 3.206,1185 2.876,1186 2.941,1187 3.824,1188 2.91,1189 0.138,1190 0.112,1191 0.203,1192 0.124,1193 0.095,1194 4.551,1195 0.136,1196 3.689,1197 0.059,1198 6.695,1199 0.329,1200 4.108,1201 0.092,1202 3.139,1203 4.474,1204 1.94,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.936,1214 1.906,1215 2.059,1216 2.045,1217 1.241,1218 2.051,1219 1.743,1220 1.674,1221 1.939,1222 1.95,1223 1.152,1224 1.951,1225 1.533,1226 1.482,1227 1.76,1228 1.754,1229 0.911,1230 1.756,1231 1.501,1232 1.447,1233 1.728,1234 1.661,1235 0.825,1236 1.685,1237 1.331,1238 1.262,1239 1.615,1240 1.53,1241 0.806,1242 1.562,1243 1.153,1244 1.064,1245 1.537,1246 1.413,1247 0.744,1248 1.46,1249 1.136,1250 1.041,1251 1.513,1252 1.376,1253 0.591,1254 1.429,1255 4.205,1257 5.525,1259 7.045,1261 8.652,1263 10.305,1265 5.461,1271 6.208,1276 6.715,1280 36.649,1281 83.11,1282 189.506,1283 262.4,1284 312.149,1285 316.149,1286 316.149,1287 43.176,1288 7.896,1289 39.68,1290 39.68,1291 24,1292 12.56,1293 4.248,1294 3.392,1295 47.438,1296 145,1297 118,1298 0.16,1299 225.832,1300 387.95,1301 542.791,1302 33144,1304 21.087,1305 0.703,1306 0.605,1307 21.087,1308 18.136,1309 14.508,1310 0.44,1311 0.324,1312 10.561,1313 14.052,1314 10.179,1315 8.459,1316 14.508,1317 10.68,1318 13.191,1319 0.287,1320 0.177,1321 13.191,1322 8.123,1323 11.064,1324 0.184,1325 0.101,1326 11.064,1327 6.048,1328 8.826,1329 0.116,1330 0.054,1331 8.826,1332 4.118,1333 7.414,1334 0.076,1335 0.031,1336 7.414,1337 3.012,1338 0.26,1339 89.843,1340 0.213,1341 28.845,1342 0.417,1343 158,1344 382.316,1345 169.179,1346 377.242,1347 526.48,1348 356,1349 185,1350 394.552,1351 196.708,1352 403.572,1353 586.28,1354 380,1355 9.5} {0 CHEMBL1631540,1 1.43,2 13.419,3 3.464,4 11.999,5 124,6 6.926,7 0.486,8 4.188,9 4.322,10 3.712,11 3.725,12 5.171,13 3.692,14 4.766,15 4.966,16 4.075,17 4.141,18 5.707,19 4.084,20 5.033,21 5.267,22 4.1,23 4.313,24 5.9,25 4.215,26 5.077,27 5.313,28 4.022,29 4.332,30 5.93,31 4.196,32 5.128,33 5.397,34 3.96,35 4.311,36 5.906,37 4.16,38 5.057,39 5.327,40 3.84,41 4.216,42 5.827,43 4.054,44 4.969,45 5.254,46 3.65,47 4.062,48 5.707,49 3.888,50 4.816,51 5.108,52 3.549,53 3.913,54 5.533,55 3.749,56 0.047,57 0.924,58 13.456,59 5.318,60 7.181,61 7.615,62 0.33,63 1.542,64 25.824,65 8.665,66 24.377,67 12.977,68 0.345,69 1.87,70 34.596,71 11.866,72 29.53,73 17.54,74 0.268,75 1.867,76 35.977,77 13.975,78 39.975,79 20.054,80 0.297,81 1.909,82 38.741,83 14.205,84 37.527,85 20.971,86 0.286,87 1.78,88 36.062,89 13.156,90 34.09,91 19.495,92 0.327,93 1.589,94 33.663,95 11.57,96 35.671,97 17.348,98 0.343,99 1.362,100 29.048,101 9.818,102 28.907,103 14.841,104 5,105 49,106 0.231,107 0.524,108 0.693,109 0.854,110 0.865,111 0.865,112 3.471,113 0.956,114 -3.78,115 -3.75,116 -3.56,119 41.7,120 1,121 1,125 7,140 9,141 2,142 2,144 2,157 1,169 9,171 1,172 9,174 2,178 11,181 1,182 7,189 7,192 1,193 9,197 2,199 6,203 6,208 2,211 2,214 1,215 7,220 2,222 1,225 1,226 4,233 2,236 1,237 1,240 1,244 4,248 1,249 3,256 8,259 1565,260 21.378,261 21.378,262 21.378,263 21.378,264 21.378,265 19.261,266 28.221,267 12.591,268 21.821,269 17.297,270 17.297,271 17.297,272 17.297,273 17.297,274 14.044,275 38.345,276 5.979,277 17.994,278 4.476,279 2.657,280 1.61,281 0.613,282 0.546,283 0.546,284 4.184,288 1,289 1,290 930,291 2.646,294 87.809,295 373.926,299 146.578,302 2.121,303 18.404,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 416,316 4.551,317 3.731,318 6.695,319 4.108,320 3.139,321 4.474,322 1.701,323 10.856,324 3.046,325 4.261,326 3.28,327 6.465,328 3.973,329 3.023,330 3.764,331 0.8,332 10.007,333 2.871,334 3.861,335 2.924,336 5.808,337 3.599,338 2.658,339 3.249,340 0.8,341 8.004,342 2.51,343 3.822,344 2.818,345 5.467,346 3.488,347 2.511,348 3.113,349 0.563,350 7.261,351 2.436,352 3.528,353 2.642,354 5.296,355 3.284,356 2.339,357 2.735,358 0.075,359 6.783,360 2.204,361 3.345,362 2.423,363 4.964,364 3.007,365 2.042,366 2.526,368 5.735,369 1.965,370 3.225,371 2.247,372 4.895,373 2.87,374 1.889,375 2.408,377 5.389,378 1.845,379 3.027,380 1.731,381 4.558,382 2.574,383 1.597,384 2.241,386 4.49,387 1.559,388 2.778,389 1.649,390 4.036,391 2.4,392 1.419,393 1.849,395 3.467,396 1.388,397 2.688,398 1.477,399 3.806,400 2.245,401 1.254,402 1.76,404 2.885,405 1.24,406 2.349,407 1.351,408 3.485,409 2.127,410 1.133,411 1.268,413 2.519,414 1.117,415 2.257,416 1.146,417 3.414,418 1.967,419 1,420 1.169,422 2.275,423 0.965,424 2,425 1.008,426 3.384,427 1.839,428 0.86,429 1,431 2.045,432 0.841,433 1.92,434 0.912,435 3.371,436 1.724,437 0.788,438 0.875,440 2.011,441 0.736,442 1.764,443 0.728,444 3.181,445 1.594,446 0.618,447 0.694,449 1.493,450 0.602,451 14.833,452 0.478,453 0.674,454 0.022,455 39.5,456 1.274,457 18.5,458 0.597,459 21,460 0.677,461 27.096,462 0.874,463 33.167,464 0.553,465 28.224,466 0.91,467 7.729,468 0.249,469 7.441,470 0.24,471 0.056,473 0.317,479 0.818,480 1.483,481 0.838,482 1.146,483 0.572,484 1.014,485 0.974,486 1.101,487 0.951,488 0.924,489 0.532,490 0.92,491 1.184,492 0.946,493 1.073,494 0.947,495 0.89,496 0.979,497 0.884,498 1.123,499 1.055,500 1.167,501 1.044,502 1.144,503 0.839,504 0.999,505 0.984,506 1.025,507 0.778,508 1.021,509 0.782,510 1.072,511 1.043,512 1.121,513 0.727,514 1.111,515 0.99,516 1.001,517 1.073,518 1.038,519 0.967,520 1.061,521 0.884,522 0.879,523 0.976,524 0.907,525 0.77,526 0.943,527 5.5,528 0.118,529 3.556,530 1.75,531 1.561,532 0.812,533 0.522,534 0.372,535 0.219,536 0.162,537 15544,538 34529,539 2.18,540 48.3,542 23,545 1,546 3,547 2,550 1.73,551 2.09,552 3.681,553 -0.393,555 1,559 85.826,560 1.43,561 3.25,562 4.297,563 5.294,564 5.361,565 5.361,566 3.1,567 4.736,568 4.929,569 3.894,570 1810.68,571 8.569,572 27027.5,574 1,577 354.413,578 1.215,579 4.907,580 0.157,581 0.005,582 0.073,583 0.036,584 0.035,585 0.02,586 0.015,587 0.013,588 0.008,589 0.006,590 0.368,591 0.5,592 0.88,593 0.415,594 164.25,595 0.013,596 -0.268,597 0.081,598 -0.082,600 -0.009,601 0.097,602 0.058,603 0.022,604 0.052,605 0.106,606 0.034,607 -0.144,608 0.123,609 -0.093,610 0.029,611 -0.052,612 -0.013,613 -0.022,614 -0.142,615 -0.098,616 -0.138,617 -0.03,618 -0.132,619 -0.037,620 -0.046,621 -0.015,622 -0.026,623 -0.02,624 -0.019,625 0.001,626 -0.115,627 -0.075,628 -0.129,629 -0.033,630 -0.113,631 -0.057,632 -0.061,633 -0.083,634 -0.074,635 -0.099,636 -0.082,637 0.051,638 0.06,639 0.02,640 0.049,641 -0.007,642 0.033,643 1.66,644 4.935,645 0.871,646 32.339,647 0.991,648 1.128,649 2.555,650 6.528,651 0.66,652 3.584,653 3.912,654 4.205,655 4.477,656 4.691,657 4.736,658 4.86,659 4.97,660 5.043,661 5.081,662 8.001,663 0.619,664 415.59,665 3.584,666 5.13,667 5.989,668 6.868,669 7.739,670 8.621,671 9.497,672 10.38,673 11.257,674 12.141,675 8.3,678 1,681 1,682 2,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 60,716 18,717 2,718 35,720 64,721 25,722 15,723 5,724 7,730 5,731 6,735 1,736 1,743 1,745 16,746 9,750 1,755 1,759 1,761 1,764 29,765 6,766 1,767 6,773 5,777 0.8,778 1,786 1,792 1,793 4,797 1,815 1,819 4,823 1,827 31,833 8,834 1,838 3,847 1.7,850 1,854 14.833,855 10.967,856 6.722,857 3.801,858 3.491,859 1.424,860 1.02,861 5.796,862 11.732,863 3.818,864 4.394,865 4.965,866 5.542,867 6.086,868 6.31,869 6.64,870 6.955,871 7.203,872 7.106,873 0.889,874 49,875 11.497,877 4.898,878 7.505,879 22.734,881 19.229,883 2.005,884 62.167,887 1,888 329.591,889 131.835,890 44.169,892 25.145,895 131.835,896 354.736,897 44.169,898 8.825,899 38.41,900 85.286,901 41.93,902 22.422,903 4.276,904 329.591,906 329.591,907 176.004,908 25.145,911 306.049,912 48.687,915 55.26,916 103.958,917 16.786,919 329.591,920 69.314,921 131.835,924 329.591,925 37.723,926 103.484,927 18.011,928 41.93,929 329.591,930 69.314,931 131.835,933 0.582,934 0.344,935 0.191,936 0.102,937 25,938 10,939 0.078,940 5,941 1,942 1.074,943 4.4,944 281.044,945 0.074,946 27,947 144.825,951 20.289,952 8.856,953 4.389,954 2.316,955 69.314,956 19.138,957 4.684,961 4.636,963 18.011,964 530.74,965 44.5,970 11.935,974 0.007,975 59.44,976 67.683,977 0.242,978 0.55,979 0.727,980 0.896,981 0.908,982 0.908,983 5.064,984 1.597,985 5.964,986 5.389,987 4.595,988 5.081,989 2.123,990 6.767,991 4.519,992 6.245,993 1.419,994 7.514,995 4.49,996 4.111,997 4.832,998 1.494,999 7.644,1000 3.981,1001 7.54,1002 1.254,1003 9.163,1004 3.467,1005 6.18,1006 7.243,1007 2.583,1008 10.752,1009 6.02,1010 8.869,1011 1.133,1012 10.874,1013 2.885,1014 6.538,1015 7.85,1016 2.523,1017 12.49,1018 6.321,1019 10.233,1020 1,1021 12.624,1022 2.519,1023 8.045,1024 9.739,1025 3.406,1026 15.103,1027 7.802,1028 11.62,1029 0.86,1030 14.403,1031 2.275,1032 8.798,1033 10.772,1034 3.619,1035 17.199,1036 8.504,1037 13.027,1038 0.788,1039 16.203,1040 2.045,1041 10.072,1042 12.438,1043 4.362,1044 19.647,1045 9.751,1046 3.139,1047 0.618,1048 18.02,1049 2.011,1050 11.018,1051 13.695,1052 4.719,1053 21.894,1054 10.65,1055 3.023,1056 10.856,1057 19.849,1058 1.493,1059 12.195,1060 15.26,1061 5.373,1062 24.286,1063 11.798,1064 2.658,1065 10.007,1066 21.688,1067 4.474,1068 13.232,1069 16.633,1070 5.808,1071 26.598,1072 12.795,1073 2.511,1074 8.004,1075 23.535,1076 3.764,1077 14.372,1078 18.154,1079 6.409,1080 28.971,1081 13.904,1082 2.339,1083 7.261,1084 25.39,1085 3.249,1086 15.454,1087 19.586,1088 6.887,1089 31.313,1090 14.949,1091 2.042,1092 6.783,1093 27.25,1094 3.113,1095 16.581,1096 21.088,1097 7.458,1098 33.681,1099 16.045,1100 1.889,1101 5.735,1102 29.115,1103 2.735,1104 17.685,1105 22.551,1106 7.96,1107 36.037,1108 17.114,1109 14209,1110 21308,1111 24.156,1112 39.62,1113 52.608,1114 53.385,1115 53.649,1116 52.543,1117 52.542,1118 66.248,1119 7.88,1120 150.435,1121 50.649,1122 5.551,1123 5.731,1124 6.249,1125 5.176,1126 5.139,1127 7.474,1128 2.972,1129 18.031,1130 5.046,1131 10.927,1132 1.503,1133 1.525,1134 1.533,1135 1.501,1136 1.501,1137 1.893,1138 0.225,1139 4.298,1140 1.447,1141 4.096,1142 4.13,1143 4.053,1144 4.016,1145 7.43,1146 4.021,1147 3.976,1148 4.015,1149 3.916,1150 3.887,1151 4.983,1152 3.887,1153 3.796,1154 3.867,1155 3.69,1156 3.6,1157 4.737,1158 3.611,1159 3.695,1160 3.753,1161 3.602,1162 3.49,1163 4.44,1164 3.51,1165 3.515,1166 3.569,1167 3.411,1168 3.412,1169 4.287,1170 3.405,1171 3.33,1172 3.404,1173 3.176,1174 3.179,1175 4.237,1176 3.167,1177 3.111,1178 3.206,1179 2.94,1180 2.952,1181 3.971,1182 2.938,1183 3.086,1184 3.161,1185 2.866,1186 2.941,1187 3.831,1188 2.91,1189 0.13,1190 0.107,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.731,1197 0.049,1198 6.695,1199 0.31,1200 4.108,1201 0.087,1202 3.139,1203 4.474,1204 1.701,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.933,1214 1.902,1215 2.055,1216 2.037,1217 1.243,1218 2.045,1219 1.741,1220 1.672,1221 1.937,1222 1.943,1223 1.157,1224 1.945,1225 1.525,1226 1.475,1227 1.746,1228 1.706,1229 1.04,1230 1.724,1231 1.466,1232 1.387,1233 1.729,1234 1.673,1235 0.862,1236 1.69,1237 1.366,1238 1.301,1239 1.623,1240 1.613,1241 0.825,1242 1.603,1243 1.226,1244 1.174,1245 1.513,1246 1.488,1247 0.801,1248 1.482,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.429,1255 4.263,1257 5.587,1258 2.398,1259 7.109,1260 4.595,1261 8.72,1262 6.555,1263 10.377,1265 2.042,1271 7.684,1272 2.873,1276 6.852,1280 37.143,1281 85.826,1282 194.993,1283 257.826,1284 317.659,1285 321.659,1286 321.659,1287 40.834,1288 8.241,1289 51.71,1290 51.71,1291 29,1292 12.675,1293 4.248,1294 3.392,1295 44.017,1296 153,1297 127,1298 0.139,1299 225.233,1300 386.59,1301 541.329,1302 52564,1304 21.209,1305 0.684,1306 0.582,1307 21.209,1308 18.05,1309 15.17,1310 0.433,1311 0.319,1312 11.018,1313 14.667,1314 10.761,1315 8.853,1316 15.17,1317 11.153,1318 13.66,1319 0.279,1320 0.172,1321 13.66,1322 8.429,1323 11.803,1324 0.179,1325 0.096,1326 11.803,1327 6.357,1328 10.067,1329 0.116,1330 0.053,1331 10.067,1332 4.614,1333 8.098,1334 0.075,1335 0.03,1336 8.098,1337 3.222,1338 0.226,1339 94.183,1340 0.203,1341 29.677,1342 0.362,1343 168,1344 406.649,1345 181.399,1346 399.309,1347 561.88,1348 378,1349 199,1350 425.594,1351 213.233,1352 431.795,1353 635.38,1354 409,1355 9.699} {0 CHEMBL1631541,1 1.415,2 14.063,3 3.526,4 12.435,5 128.865,6 6.819,7 0.472,8 4.231,9 4.367,10 3.74,11 3.767,12 5.201,13 3.73,14 4.813,15 5.016,16 4.098,17 4.183,18 5.737,19 4.119,20 5.1,21 5.338,22 4.16,23 4.37,24 5.951,25 4.27,26 5.155,27 5.398,28 4.074,29 4.385,30 6.009,31 4.249,32 5.176,33 5.443,34 4.004,35 4.356,36 5.972,37 4.207,38 5.105,39 5.371,40 3.893,41 4.278,42 5.874,43 4.114,44 5.038,45 5.324,46 3.711,47 4.136,48 5.765,49 3.959,50 4.89,51 5.18,52 3.594,53 3.989,54 5.594,55 3.817,56 0.053,57 0.963,58 14.365,59 5.654,60 7.363,61 8.154,62 0.339,63 1.606,64 27.402,65 9.248,66 24.909,67 13.928,68 0.361,69 1.992,70 37.279,71 12.677,72 30.189,73 18.943,74 0.318,75 2,76 39.353,77 14.759,78 42.092,79 21.389,80 0.335,81 1.985,82 40.716,83 14.83,84 42.913,85 21.846,86 0.29,87 1.87,88 37.678,89 13.896,90 34.226,91 20.589,92 0.337,93 1.694,94 35.926,95 12.506,96 36.146,97 18.775,98 0.349,99 1.458,100 31.061,101 10.683,102 29.087,103 16.141,104 5,105 50,106 0.226,107 0.522,108 0.705,109 0.857,110 0.867,111 0.867,112 3.502,113 0.971,114 -3.99,115 -3.94,116 -3.74,119 41.3,120 1,121 2,125 7,140 9,141 2,142 2,144 2,157 1,169 9,171 1,172 10,174 2,176 1,178 11,181 1,182 7,189 7,192 1,193 10,197 2,199 8,203 6,208 2,211 4,214 1,215 7,220 2,222 3,225 1,226 4,233 2,236 1,237 2,240 1,244 4,248 1,249 3,256 8,259 1716,260 22.085,261 22.085,262 22.085,263 22.085,264 22.085,265 19.968,266 30.265,267 13.091,268 22.527,269 17.797,270 17.797,271 17.797,272 17.797,273 17.797,274 14.544,275 42.095,276 6.226,277 18.494,278 4.562,279 2.713,280 1.565,281 0.615,282 0.552,283 0.552,284 4.216,288 1,289 1,290 1002,291 2.646,295 494.421,299 152.187,302 2.125,303 19.108,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 450,316 4.551,317 3.719,318 6.695,319 4.108,320 3.139,321 4.474,322 1.701,323 10.856,324 3.046,325 4.253,326 3.28,327 6.459,328 3.961,329 3.009,330 3.762,331 0.8,332 9.989,333 2.862,334 3.86,335 2.925,336 5.808,337 3.598,338 2.658,339 3.249,340 0.8,341 8.004,342 2.507,343 3.814,344 2.822,345 5.465,346 3.483,347 2.506,348 3.1,349 0.563,350 7.254,351 2.433,352 3.527,353 2.644,354 5.295,355 3.283,356 2.338,357 2.735,358 0.075,359 6.779,360 2.204,361 3.345,362 2.432,363 4.964,364 3.007,365 2.043,366 2.526,368 5.735,369 1.966,370 3.23,371 2.248,372 4.895,373 2.884,374 1.905,375 2.41,377 5.389,378 1.856,379 3.027,380 1.789,381 4.558,382 2.574,383 1.597,384 2.241,386 4.49,387 1.559,388 2.779,389 1.651,390 4.036,391 2.416,392 1.421,393 1.85,395 3.468,396 1.409,397 2.696,398 1.488,399 3.902,400 2.401,401 1.414,402 1.767,404 3.164,405 1.389,406 2.537,407 1.455,408 3.589,409 2.269,410 1.292,411 1.507,413 2.888,414 1.261,415 2.257,416 1.146,417 3.476,418 1.967,419 1,420 1.17,422 2.424,423 0.965,424 2.173,425 1.132,426 3.414,427 1.956,428 1,429 1.14,431 2.275,432 0.953,433 2,434 0.912,435 3.372,436 1.838,437 0.859,438 1,440 2.035,441 0.839,442 1.765,443 0.735,444 3.184,445 1.599,446 0.621,447 0.696,449 1.499,450 0.606,451 15.333,452 0.479,453 0.674,454 0.021,455 40,456 1.25,457 18.5,458 0.578,459 21.5,460 0.672,461 29.07,462 0.908,463 34.467,464 0.547,465 28.892,466 0.903,467 7.734,468 0.242,469 7.936,470 0.248,471 0.054,473 0.307,479 0.819,480 1.484,481 0.856,482 1.158,483 0.573,484 1.03,485 0.969,486 1.116,487 0.966,488 0.949,489 0.531,490 0.944,491 1.181,492 0.977,493 1.048,494 0.945,495 0.872,496 0.967,497 1.011,498 1.097,499 1.068,500 1.134,501 1.153,502 1.118,503 0.987,504 0.984,505 1,506 1.003,507 1.054,508 1.006,509 0.783,510 1.094,511 1.06,512 1.144,513 0.739,514 1.132,515 0.964,516 0.997,517 1.058,518 1.033,519 0.949,520 1.053,521 0.864,522 0.914,523 1,524 0.951,525 0.757,526 0.982,527 5.5,528 0.12,529 3.556,530 1.875,531 1.613,532 0.882,533 0.542,534 0.375,535 0.234,536 0.157,537 16876,538 36447,539 2.174,540 49.2,542 23,545 1,546 3,547 2,548 2,550 1.738,551 2.087,552 3.741,553 -0.403,559 89.167,560 1.415,561 3.264,562 4.412,563 5.362,564 5.426,565 5.426,566 3.204,567 4.625,568 4.975,569 3.935,570 1951.61,571 8.662,572 29883.4,574 1,577 376.569,578 1.198,579 4.954,580 0.153,581 0.004,582 0.071,583 0.036,584 0.035,585 0.021,586 0.015,587 0.013,588 0.009,589 0.006,590 0.362,591 0.5,592 0.88,593 0.406,594 171.408,595 0.019,596 -0.259,597 0.081,598 -0.078,599 0.007,600 -0.008,601 0.104,602 0.045,603 0.017,604 0.037,605 0.111,606 0.022,607 -0.123,608 0.096,609 -0.061,610 0.031,611 -0.039,612 0.002,613 -0.045,614 -0.107,615 -0.097,616 -0.119,617 -0.034,618 -0.116,619 -0.069,620 -0.027,621 -0.023,622 -0.006,623 -0.063,624 -0.01,625 -0.004,626 -0.125,627 -0.096,628 -0.146,629 -0.043,630 -0.133,631 -0.048,632 -0.055,633 -0.074,634 -0.066,635 -0.095,636 -0.073,637 0.048,638 0.03,639 -0.012,640 0.009,641 -0.01,642 -0.006,643 1.65,644 5.155,645 0.875,646 34.125,647 0.989,648 1.129,649 2.759,650 7.614,651 0.657,652 3.611,653 3.932,654 4.22,655 4.489,656 4.745,657 4.762,658 4.883,659 4.997,660 5.075,661 5.118,662 8.206,663 0.614,664 429.62,665 3.611,666 5.153,667 6.009,668 6.884,669 7.753,670 8.632,671 9.506,672 10.386,673 11.262,674 12.143,675 7.9,678 1,681 1,682 2,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 63,716 18,717 2,718 36,720 67,721 26,722 15,723 5,724 7,730 5,731 6,735 1,736 1,740 1,743 2,745 16,746 10,750 1,755 1,759 1,764 31,765 6,766 1,767 6,773 5,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,827 32,833 9,834 1,838 3,847 1.6,850 1,854 15.333,855 11.467,856 6.972,857 4.051,858 3.492,859 1.419,860 1.014,861 6.288,862 11.828,863 3.839,864 4.407,865 4.972,866 5.546,867 6.1,868 6.317,869 6.643,870 6.96,871 7.209,872 7.12,873 1,874 52,875 11.88,877 5.044,878 7.49,879 23.551,881 19.896,883 1.99,884 63.667,887 1,888 353.133,889 134.369,890 44.169,892 25.145,895 134.369,896 378.278,897 44.169,898 8.825,899 40.944,900 85.286,901 41.93,902 22.422,903 4.276,904 353.133,906 353.133,907 178.538,908 25.145,911 306.049,912 72.229,915 57.794,916 103.958,917 16.786,919 353.133,920 69.314,921 134.369,924 353.133,925 40.258,926 103.484,927 18.011,928 41.93,929 353.133,930 69.314,931 134.369,933 0.58,934 0.342,935 0.19,936 0.106,937 25,938 10,939 0.075,940 5,941 1,942 1.071,943 4.475,944 292.541,945 0.071,946 28,947 152,951 21.234,952 9.475,953 4.77,954 2.317,955 69.314,956 19.194,957 4.689,961 4.648,963 18.011,964 556.816,965 45.5,970 12.155,974 0.017,975 62.323,976 71.099,977 0.237,978 0.546,979 0.738,980 0.897,981 0.908,982 0.908,983 5.083,984 1.597,985 5.979,986 5.389,987 4.615,988 5.094,989 2.123,990 6.777,991 4.541,992 6.258,993 1.421,994 7.525,995 4.49,996 4.111,997 4.832,998 1.494,999 7.644,1000 3.981,1001 7.55,1002 1.414,1003 9.171,1004 3.468,1005 6.192,1006 7.247,1007 2.583,1008 10.754,1009 6.035,1010 8.875,1011 1.292,1012 10.878,1013 3.164,1014 6.524,1015 7.846,1016 2.523,1017 12.485,1018 6.309,1019 10.236,1020 1,1021 12.627,1022 2.888,1023 8.047,1024 9.739,1025 3.406,1026 15.102,1027 7.807,1028 11.62,1029 1,1030 14.404,1031 2.424,1032 8.781,1033 10.769,1034 3.619,1035 17.193,1036 8.491,1037 13.024,1038 0.859,1039 16.203,1040 2.275,1041 10.066,1042 12.437,1043 4.362,1044 19.643,1045 9.748,1046 3.139,1047 0.621,1048 18.018,1049 2.035,1050 11,1051 13.693,1052 4.719,1053 21.889,1054 10.638,1055 3.009,1056 10.856,1057 19.846,1058 1.499,1059 12.183,1060 15.259,1061 5.373,1062 24.281,1063 11.791,1064 2.658,1065 9.989,1066 21.685,1067 4.474,1068 13.213,1069 16.632,1070 5.808,1071 26.593,1072 12.783,1073 2.506,1074 8.004,1075 23.532,1076 3.762,1077 14.355,1078 18.153,1079 6.409,1080 28.966,1081 13.894,1082 2.338,1083 7.254,1084 25.386,1085 3.249,1086 15.433,1087 19.585,1088 6.887,1089 31.307,1090 14.936,1091 2.043,1092 6.779,1093 27.246,1094 3.1,1095 16.561,1096 21.087,1097 7.458,1098 33.675,1099 16.033,1100 1.905,1101 5.735,1102 29.11,1103 2.735,1104 17.663,1105 22.55,1106 7.96,1107 36.031,1108 17.101,1109 15471,1110 22863,1111 24.849,1112 41.381,1113 53.713,1114 54.875,1115 54.889,1116 53.608,1117 53.606,1118 67.256,1119 7.88,1120 152.497,1121 51.712,1122 5.551,1123 5.719,1124 6.38,1125 5.178,1126 5.139,1127 7.474,1128 2.972,1129 18.031,1130 5.046,1131 11.121,1132 1.492,1133 1.524,1134 1.525,1135 1.489,1136 1.489,1137 1.868,1138 0.219,1139 4.236,1140 1.436,1141 4.096,1142 4.131,1143 4.053,1144 4.016,1145 7.429,1146 4.021,1147 3.974,1148 4.013,1149 3.912,1150 3.887,1151 4.983,1152 3.887,1153 3.796,1154 3.868,1155 3.689,1156 3.602,1157 4.735,1158 3.613,1159 3.715,1160 3.774,1161 3.611,1162 3.539,1163 4.44,1164 3.546,1165 3.516,1166 3.57,1167 3.412,1168 3.414,1169 4.286,1170 3.406,1171 3.338,1172 3.412,1173 3.185,1174 3.189,1175 4.244,1176 3.177,1177 3.112,1178 3.206,1179 2.999,1180 2.953,1181 3.972,1182 2.94,1183 3.111,1184 3.164,1185 2.941,1186 2.941,1187 3.835,1188 2.91,1189 0.126,1190 0.103,1191 0.186,1192 0.114,1193 0.087,1194 4.551,1195 0.124,1196 3.719,1197 0.047,1198 6.695,1199 0.302,1200 4.108,1201 0.085,1202 3.139,1203 4.474,1204 1.701,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.359,1212 2.144,1213 1.943,1214 1.911,1215 2.065,1216 2.065,1217 1.27,1218 2.065,1219 1.752,1220 1.682,1221 1.954,1222 1.97,1223 1.217,1224 1.97,1225 1.68,1226 1.616,1227 1.896,1228 1.871,1229 1.135,1230 1.883,1231 1.521,1232 1.473,1233 1.733,1234 1.665,1235 0.869,1236 1.69,1237 1.347,1238 1.278,1239 1.621,1240 1.539,1241 0.825,1242 1.571,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.802,1248 1.429,1249 1.111,1250 1.04,1251 1.424,1252 1.309,1253 0.533,1254 1.349,1255 4.29,1257 5.609,1259 7.135,1261 8.752,1263 10.414,1265 2.044,1271 8.777,1272 2.935,1276 6.891,1280 38.67,1281 89.167,1282 205.62,1283 277.981,1284 337.814,1285 341.814,1286 341.814,1287 43.658,1288 8.335,1289 51.71,1290 51.71,1291 30,1292 12.679,1293 4.248,1294 3.392,1295 46.105,1296 162,1297 136,1298 0.138,1299 234.825,1300 403.89,1301 564.734,1302 59793,1304 21.916,1305 0.685,1306 0.586,1307 21.916,1308 18.757,1309 15.67,1310 0.435,1311 0.324,1312 11.518,1313 15.166,1314 11.251,1315 9.269,1316 15.67,1317 11.653,1318 14.013,1319 0.28,1320 0.176,1321 14.013,1322 8.782,1323 12.053,1324 0.18,1325 0.098,1326 12.053,1327 6.58,1328 10.238,1329 0.116,1330 0.054,1331 10.238,1332 4.772,1333 8.64,1334 0.076,1335 0.031,1336 8.64,1337 3.52,1338 0.224,1339 97.183,1340 0.201,1341 30.48,1342 0.356,1343 172,1344 410.649,1345 185.399,1346 403.47,1347 567.64,1348 382,1349 203,1350 429.594,1351 217.205,1352 435.955,1353 641.08,1354 413,1355 9.5} {0 CHEMBL1631542,1 1.464,2 13.419,3 4.111,4 16.902,5 122.05,6 7.061,7 0.486,8 4.176,9 4.299,10 3.718,11 3.711,12 5.175,13 3.685,14 4.758,15 4.946,16 4.083,17 4.121,18 5.737,19 4.073,20 5.003,21 5.228,22 4.098,23 4.295,24 5.875,25 4.202,26 5.062,27 5.292,28 4.026,29 4.319,30 5.931,31 4.189,32 5.121,33 5.384,34 3.963,35 4.295,36 5.91,37 4.15,38 5.037,39 5.299,40 3.844,41 4.195,42 5.823,43 4.041,44 4.954,45 5.231,46 3.65,47 4.04,48 5.707,49 3.875,50 4.791,51 5.071,52 3.553,53 3.891,54 5.531,55 3.736,56 0.025,57 0.878,58 12.923,59 5.408,60 6.576,61 7.414,62 0.419,63 1.476,64 25.462,65 8.665,66 30.922,67 12.509,68 0.328,69 1.811,70 33.188,71 11.704,72 27.453,73 16.904,74 0.256,75 1.831,76 35.222,77 13.851,78 41.113,79 19.576,80 0.317,81 1.872,82 38.659,83 14.26,84 39.927,85 20.647,86 0.287,87 1.737,88 35.371,89 13.004,90 35.531,91 18.932,92 0.355,93 1.555,94 33.425,95 11.544,96 38.614,97 16.922,98 0.385,99 1.325,100 28.474,101 9.624,102 30.82,103 14.32,104 5,105 49,106 0.237,107 0.526,108 0.71,109 0.851,110 0.862,111 0.862,112 3.471,113 0.946,114 -3.78,115 -3.75,116 -3.56,119 42.4,120 1,121 1,125 7,140 9,141 2,142 2,144 2,157 1,169 9,171 3,172 9,178 11,181 1,182 7,189 7,192 1,193 11,199 6,203 8,211 2,214 1,215 9,222 1,225 1,226 4,233 2,236 2,237 1,244 4,248 1,249 3,256 8,259 1565,260 21.378,261 21.378,262 21.378,263 21.378,264 21.378,265 19.261,266 27.197,267 12.591,268 21.901,269 17.297,270 17.297,271 17.297,272 17.297,273 17.297,274 14.044,275 36.553,276 5.979,277 18.109,278 4.419,279 2.632,280 1.497,281 0.623,282 0.555,283 0.555,284 4.184,288 1,289 1,290 930,291 2.646,294 87.809,295 373.926,299 146.578,302 2.121,303 20.249,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 416,316 4.551,317 3.819,318 6.695,319 4.108,320 3.139,321 4.474,322 2.208,323 10.856,324 3.046,325 4.261,326 3.28,327 6.465,328 3.964,329 3.023,330 3.764,331 0.8,332 10.007,333 2.849,334 3.861,335 2.928,336 5.808,337 3.598,338 2.658,339 3.249,340 0.8,341 8.004,342 2.499,343 3.822,344 2.827,345 5.467,346 3.482,347 2.511,348 3.113,349 0.655,350 7.261,351 2.422,352 3.528,353 2.645,354 5.296,355 3.282,356 2.339,357 2.735,358 0.13,359 6.783,360 2.201,361 3.345,362 2.429,363 4.964,364 3.005,365 2.042,366 2.526,368 5.735,369 1.96,370 3.225,371 2.247,372 4.895,373 2.855,374 1.889,375 2.408,377 5.389,378 1.814,379 3.027,380 1.901,381 4.558,382 2.574,383 1.597,384 2.241,386 4.49,387 1.559,388 2.778,389 1.652,390 4.036,391 2.4,392 1.419,393 1.849,395 3.467,396 1.387,397 2.688,398 1.484,399 3.806,400 2.241,401 1.254,402 1.76,404 2.885,405 1.233,406 2.349,407 1.437,408 3.485,409 2.11,410 1.133,411 1.268,413 2.519,414 1.092,415 2.257,416 1.146,417 3.414,418 1.967,419 1,420 1.169,422 2.275,423 0.965,424 2,425 1.074,426 3.384,427 1.839,428 0.86,429 1,431 2.045,432 0.84,433 1.92,434 0.912,435 3.371,436 1.689,437 0.788,438 0.875,440 2.011,441 0.704,442 1.764,443 0.728,444 3.181,445 1.593,446 0.618,447 0.694,449 1.493,450 0.601,451 14.767,452 0.476,453 0.674,454 0.022,455 39.5,456 1.274,457 18.5,458 0.597,459 21,460 0.677,461 26.955,462 0.87,463 33.233,464 0.563,465 28.366,466 0.915,467 7.773,468 0.251,469 7.396,470 0.239,471 0.056,473 0.318,479 0.784,480 1.479,481 0.805,482 1.175,483 0.572,484 1.019,485 0.954,486 1.092,487 0.938,488 0.895,489 0.526,490 0.898,491 1.004,492 0.968,493 1.054,494 0.954,495 0.742,496 0.986,497 0.78,498 1.135,499 1.049,500 1.175,501 1,502 1.155,503 0.817,504 0.987,505 0.971,506 1.008,507 0.769,508 1.008,509 0.747,510 1.076,511 1.038,512 1.12,513 0.721,514 1.114,515 0.982,516 1,517 1.073,518 1.019,519 0.974,520 1.052,521 0.85,522 0.909,523 0.993,524 0.906,525 0.787,526 0.955,527 5.5,528 0.118,529 3.556,530 1.75,531 1.561,532 0.812,533 0.522,534 0.372,535 0.219,536 0.162,537 15544,538 36215,539 2.18,540 47.5,542 23,546 3,547 2,550 1.73,551 2.09,552 3.681,553 -0.799,555 1,559 86.374,560 1.464,561 3.251,562 4.386,563 5.26,564 5.327,565 5.327,566 3.1,567 4.736,568 4.929,569 3.894,570 1810.68,571 8.569,572 27027.5,574 1,577 347.076,578 1.215,579 4.907,580 0.157,581 0.005,582 0.073,583 0.036,584 0.035,585 0.02,586 0.015,587 0.013,588 0.008,589 0.006,590 0.368,591 0.5,592 0.88,593 0.415,594 164.25,595 0.019,596 -0.29,597 0.088,598 -0.111,599 0.004,600 -0.023,601 0.149,602 0.052,603 0.029,604 0.076,605 0.15,606 0.046,607 -0.12,608 0.112,609 -0.093,610 0.021,611 -0.037,612 -0.019,613 -0.017,614 -0.144,615 -0.105,616 -0.154,617 -0.025,618 -0.145,619 -0.034,620 -0.034,621 -0.002,622 -0.015,623 -0.015,624 -0.005,625 -0.001,626 -0.109,627 -0.073,628 -0.133,629 -0.03,630 -0.115,631 -0.066,632 -0.056,633 -0.079,634 -0.058,635 -0.104,636 -0.07,637 0.051,638 0.045,639 0.004,640 0.048,641 -0.015,642 0.023,643 1.91,644 4.824,645 0.871,646 32.339,647 0.994,648 1.125,649 2.555,650 6.528,651 0.662,652 3.584,653 3.912,654 4.205,655 4.477,656 4.691,657 4.736,658 4.86,659 4.97,660 5.043,661 5.081,662 8.001,663 0.624,664 416.57,665 3.584,666 5.13,667 5.989,668 6.868,669 7.739,670 8.621,671 9.497,672 10.38,673 11.257,674 12.141,675 6.8,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,710 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 5,724 7,730 5,731 6,736 1,743 1,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,767 6,773 4,777 0.8,778 2,786 1,792 1,793 4,797 1,815 1,819 4,823 1,827 31,833 8,835 1,838 3,847 3.4,850 1,852 1,854 14.833,855 10.883,856 6.722,857 3.739,858 3.491,859 1.424,860 1.011,861 5.796,862 11.732,863 3.818,864 4.394,865 4.965,866 5.542,867 6.086,868 6.31,869 6.64,870 6.955,871 7.203,872 7.106,873 0.889,874 49,875 11.494,877 4.896,878 7.538,879 22.636,881 19.074,883 2.038,884 63.167,887 1,888 329.591,889 136.808,890 26.158,892 36.145,895 136.808,896 365.736,897 26.158,898 8.825,899 22.885,900 85.286,901 41.93,902 33.421,903 6.763,904 329.591,906 329.591,907 162.966,908 36.145,911 306.049,912 59.687,915 39.736,916 106.445,917 16.786,919 329.591,920 62.303,921 136.808,924 329.591,925 42.697,926 103.484,928 52.93,929 329.591,930 62.303,931 136.808,933 0.582,934 0.344,935 0.191,936 0.102,937 25,938 10,939 0.079,940 5,941 1,942 1.074,943 4.4,944 281.044,945 0.074,946 27,947 147.58,951 20.289,952 8.856,953 4.389,954 2.306,955 62.303,956 18.988,957 4.68,961 4.537,964 528.702,965 44.5,970 11.824,974 -0.243,975 58.665,976 66.394,977 0.249,978 0.553,979 0.746,980 0.894,981 0.906,982 0.906,983 5.064,984 1.597,985 5.964,986 5.389,987 4.595,988 5.081,989 2.493,990 6.767,991 4.509,992 6.245,993 1.419,994 7.514,995 4.49,996 4.111,997 4.832,998 1.961,999 7.644,1000 3.969,1001 7.54,1002 1.254,1003 9.163,1004 3.467,1005 6.18,1006 7.243,1007 3.554,1008 10.752,1009 6.004,1010 8.869,1011 1.133,1012 10.874,1013 2.885,1014 6.538,1015 7.85,1016 3.671,1017 12.49,1018 6.301,1019 10.233,1020 1,1021 12.624,1022 2.519,1023 8.045,1024 9.739,1025 4.959,1026 15.103,1027 7.78,1028 11.62,1029 0.86,1030 14.403,1031 2.275,1032 8.798,1033 10.772,1034 5.372,1035 17.199,1036 8.478,1037 13.027,1038 0.788,1039 16.203,1040 2.045,1041 10.072,1042 12.438,1043 6.458,1044 19.647,1045 9.724,1046 3.139,1047 0.618,1048 18.02,1049 2.011,1050 11.018,1051 13.695,1052 7.028,1053 21.894,1054 10.621,1055 3.023,1056 10.856,1057 19.849,1058 1.493,1059 12.195,1060 15.26,1061 7.994,1062 24.286,1063 11.768,1064 2.658,1065 10.007,1066 21.688,1067 4.474,1068 13.232,1069 16.633,1070 8.654,1071 26.598,1072 12.763,1073 2.511,1074 8.004,1075 23.535,1076 3.764,1077 14.372,1078 18.154,1079 9.549,1080 28.971,1081 13.872,1082 2.339,1083 7.261,1084 25.39,1085 3.249,1086 15.454,1087 19.586,1088 10.263,1089 31.313,1090 14.915,1091 2.042,1092 6.783,1093 27.25,1094 3.113,1095 16.581,1096 21.088,1097 11.116,1098 33.681,1099 16.01,1100 1.889,1101 5.735,1102 29.115,1103 2.735,1104 17.685,1105 22.551,1106 11.862,1107 36.037,1108 17.079,1109 14209,1110 21846,1111 24.156,1112 39.069,1113 52.608,1114 53.683,1115 53.649,1116 52.527,1117 52.542,1118 66.248,1119 9.186,1120 150.435,1121 50.34,1122 5.551,1123 5.819,1124 6.249,1125 5.176,1126 5.139,1127 7.474,1128 3.912,1129 18.031,1130 5.046,1131 10.927,1132 1.503,1133 1.534,1134 1.533,1135 1.501,1136 1.501,1137 1.893,1138 0.262,1139 4.298,1140 1.438,1141 4.095,1142 4.129,1143 4.053,1144 4.016,1145 7.433,1146 4.021,1147 3.971,1148 4.005,1149 3.913,1150 3.885,1151 4.983,1152 3.885,1153 3.792,1154 3.86,1155 3.687,1156 3.598,1157 4.745,1158 3.609,1159 3.669,1160 3.706,1161 3.585,1162 3.446,1163 4.468,1164 3.473,1165 3.515,1166 3.568,1167 3.411,1168 3.409,1169 4.439,1170 3.403,1171 3.327,1172 3.4,1173 3.175,1174 3.175,1175 4.283,1176 3.163,1177 3.111,1178 3.206,1179 2.939,1180 2.952,1181 3.973,1182 2.937,1183 3.086,1184 3.161,1185 2.866,1186 2.941,1187 3.836,1188 2.91,1189 0.13,1190 0.109,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.819,1197 0.063,1198 6.695,1199 0.31,1200 4.108,1201 0.087,1202 3.139,1203 4.474,1204 2.208,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.933,1214 1.902,1215 2.055,1216 2.037,1217 1.243,1218 2.045,1219 1.741,1220 1.672,1221 1.937,1222 1.942,1223 1.157,1224 1.945,1225 1.525,1226 1.475,1227 1.737,1228 1.686,1229 1.018,1230 1.704,1231 1.445,1232 1.376,1233 1.711,1234 1.651,1235 0.852,1236 1.675,1237 1.336,1238 1.274,1239 1.614,1240 1.572,1241 0.825,1242 1.573,1243 1.153,1244 1.133,1245 1.513,1246 1.469,1247 0.8,1248 1.429,1249 1.144,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.413,1255 4.263,1257 5.587,1258 2.398,1259 7.109,1260 4.595,1261 8.72,1262 6.555,1263 10.377,1265 2.039,1271 7.25,1273 5.064,1276 6.721,1280 36.837,1281 86.374,1282 191.797,1283 258.772,1284 310.321,1285 314.321,1286 314.321,1287 40.879,1288 8.241,1289 48.91,1290 48.91,1291 29,1292 12.675,1293 4.248,1294 3.392,1295 44.017,1296 153,1297 127,1298 0.139,1299 222.435,1300 384.38,1301 534.502,1302 52564,1304 21.209,1305 0.684,1306 0.579,1307 21.209,1308 17.958,1309 15.17,1310 0.433,1311 0.315,1312 10.894,1313 14.606,1314 10.643,1315 8.741,1316 15.17,1317 11.042,1318 13.66,1319 0.279,1320 0.17,1321 13.66,1322 8.311,1323 11.803,1324 0.179,1325 0.095,1326 11.803,1327 6.261,1328 10.067,1329 0.116,1330 0.052,1331 10.067,1332 4.524,1333 8.098,1334 0.075,1335 0.029,1336 8.098,1337 3.177,1338 0.226,1339 94.638,1340 0.203,1341 29.677,1342 0.362,1343 168,1344 436.052,1345 183.386,1346 420.295,1347 587.6,1348 398,1349 199,1350 441.359,1351 214.918,1352 445.573,1353 657.24,1354 421,1355 9.801} {0 CHEMBL1631543,1 1.447,2 14.063,3 4.174,4 17.419,5 126.916,6 6.945,7 0.472,8 4.219,9 4.345,10 3.746,11 3.753,12 5.204,13 3.723,14 4.805,15 4.997,16 4.105,17 4.163,18 5.767,19 4.108,20 5.073,21 5.301,22 4.16,23 4.35,24 5.932,25 4.258,26 5.138,27 5.372,28 4.077,29 4.366,30 6.011,31 4.238,32 5.158,33 5.418,34 4.008,35 4.336,36 5.971,37 4.195,38 5.085,39 5.344,40 3.896,41 4.257,42 5.871,43 4.102,44 5.024,45 5.303,46 3.712,47 4.116,48 5.765,49 3.947,50 4.866,51 5.146,52 3.597,53 3.969,54 5.592,55 3.805,56 0.033,57 0.917,58 13.847,59 5.746,60 6.788,61 7.955,62 0.428,63 1.54,64 27.063,65 9.247,66 31.532,67 13.469,68 0.346,69 1.925,70 35.987,71 12.583,72 28.417,73 18.309,74 0.325,75 1.943,76 38.612,77 14.645,78 44.535,79 20.761,80 0.351,81 1.934,82 40.15,83 14.73,84 44.993,85 21.266,86 0.291,87 1.827,88 36.987,89 13.745,90 35.66,91 20.026,92 0.365,93 1.66,94 35.708,95 12.479,96 39.052,97 18.359,98 0.391,99 1.422,100 30.512,101 10.492,102 31.082,103 15.634,104 5,105 50,106 0.232,107 0.523,108 0.721,109 0.854,110 0.865,111 0.865,112 3.502,113 0.962,114 -3.99,115 -3.94,116 -3.74,119 41.9,120 1,121 2,125 7,140 9,141 2,142 2,144 2,157 1,169 9,171 3,172 11,178 11,181 1,182 7,189 7,192 1,193 12,199 8,203 8,211 4,214 1,215 9,222 3,225 1,226 4,233 2,236 2,237 2,244 4,248 1,249 3,256 8,259 1716,260 22.085,261 22.085,262 22.085,263 22.085,264 22.085,265 19.968,266 28.966,267 13.091,268 22.605,269 17.797,270 17.797,271 17.797,272 17.797,273 17.797,274 14.544,275 39.232,276 6.226,277 18.609,278 4.507,279 2.69,280 1.457,281 0.625,282 0.561,283 0.561,284 4.216,288 1,289 1,290 1002,291 2.646,295 494.421,299 152.187,302 2.125,303 21.051,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 450,316 4.551,317 3.804,318 6.695,319 4.108,320 3.139,321 4.474,322 2.208,323 10.856,324 3.046,325 4.253,326 3.28,327 6.459,328 3.954,329 3.009,330 3.762,331 0.8,332 9.989,333 2.843,334 3.86,335 2.93,336 5.808,337 3.597,338 2.658,339 3.249,340 0.8,341 8.004,342 2.497,343 3.814,344 2.832,345 5.465,346 3.477,347 2.506,348 3.1,349 0.655,350 7.254,351 2.419,352 3.527,353 2.648,354 5.295,355 3.281,356 2.338,357 2.735,358 0.13,359 6.779,360 2.2,361 3.345,362 2.44,363 4.964,364 3.006,365 2.043,366 2.526,368 5.735,369 1.96,370 3.23,371 2.248,372 4.895,373 2.867,374 1.905,375 2.41,377 5.389,378 1.822,379 3.027,380 1.954,381 4.558,382 2.574,383 1.597,384 2.241,386 4.49,387 1.559,388 2.779,389 1.655,390 4.036,391 2.407,392 1.421,393 1.85,395 3.468,396 1.392,397 2.696,398 1.553,399 3.902,400 2.4,401 1.414,402 1.767,404 3.164,405 1.387,406 2.537,407 1.472,408 3.589,409 2.26,410 1.292,411 1.507,413 2.888,414 1.248,415 2.257,416 1.17,417 3.476,418 1.967,419 1,420 1.17,422 2.424,423 0.965,424 2.173,425 1.146,426 3.414,427 1.931,428 1,429 1.14,431 2.275,432 0.923,433 2,434 0.912,435 3.372,436 1.838,437 0.859,438 1,440 2.035,441 0.839,442 1.765,443 0.783,444 3.184,445 1.598,446 0.621,447 0.696,449 1.499,450 0.606,451 15.267,452 0.477,453 0.674,454 0.021,455 40,456 1.25,457 18.5,458 0.578,459 21.5,460 0.672,461 28.918,462 0.904,463 34.533,464 0.557,465 29.045,466 0.908,467 7.779,468 0.243,469 7.891,470 0.247,471 0.055,473 0.308,479 0.785,480 1.48,481 0.824,482 1.186,483 0.573,484 1.035,485 0.948,486 1.108,487 0.953,488 0.922,489 0.524,490 0.922,491 1.037,492 0.989,493 1.03,494 0.957,495 0.739,496 0.972,497 0.969,498 1.101,499 1.068,500 1.131,501 1.137,502 1.119,503 0.946,504 0.983,505 0.998,506 0.998,507 1.038,508 1.004,509 0.747,510 1.099,511 1.055,512 1.143,513 0.732,514 1.135,515 0.955,516 0.996,517 1.057,518 1.015,519 0.954,520 1.044,521 0.829,522 0.944,523 1.014,524 0.951,525 0.771,526 0.994,527 5.5,528 0.12,529 3.556,530 1.875,531 1.613,532 0.882,533 0.542,534 0.375,535 0.234,536 0.157,537 16876,538 38145,539 2.174,540 48.4,542 23,546 3,547 2,548 2,550 1.738,551 2.087,552 3.741,553 -0.805,555 1,559 89.742,560 1.447,561 3.264,562 4.498,563 5.329,564 5.394,565 5.394,566 3.204,567 4.625,568 4.975,569 3.935,570 1951.61,571 8.662,572 29883.4,574 1,577 369.16,578 1.198,579 4.954,580 0.153,581 0.004,582 0.071,583 0.036,584 0.035,585 0.021,586 0.015,587 0.013,588 0.009,589 0.006,590 0.362,591 0.5,592 0.88,593 0.406,594 171.408,595 0.024,596 -0.28,597 0.087,598 -0.107,599 0.011,600 -0.021,601 0.156,602 0.038,603 0.024,604 0.06,605 0.155,606 0.034,607 -0.101,608 0.09,609 -0.058,610 0.02,611 -0.026,612 -0.003,613 -0.051,614 -0.109,615 -0.102,616 -0.121,617 -0.037,618 -0.12,619 -0.066,620 -0.022,621 -0.024,622 -0.005,623 -0.061,624 -0.008,625 -0.006,626 -0.12,627 -0.095,628 -0.15,629 -0.04,630 -0.136,631 -0.058,632 -0.05,633 -0.069,634 -0.051,635 -0.099,636 -0.062,637 0.05,638 0.013,639 -0.026,640 0.007,641 -0.017,642 -0.016,643 1.9,644 5.044,645 0.875,646 34.125,647 0.993,648 1.126,649 2.759,650 7.614,651 0.659,652 3.611,653 3.932,654 4.22,655 4.489,656 4.745,657 4.762,658 4.883,659 4.997,660 5.075,661 5.118,662 8.206,663 0.619,664 430.6,665 3.611,666 5.153,667 6.009,668 6.884,669 7.753,670 8.632,671 9.506,672 10.386,673 11.262,674 12.143,675 6.5,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,710 1,714 62,716 18,717 2,718 36,720 66,721 26,722 15,723 5,724 7,730 5,731 6,736 1,740 1,743 2,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 6,767 6,773 4,777 0.8,778 2,786 1,793 5,797 1,815 1,819 4,823 1,827 32,833 9,835 1,838 3,847 3.2,850 1,852 1,854 15.333,855 11.383,856 6.972,857 3.989,858 3.492,859 1.419,860 1.006,861 6.288,862 11.828,863 3.839,864 4.407,865 4.972,866 5.546,867 6.1,868 6.317,869 6.643,870 6.96,871 7.209,872 7.12,873 1,874 52,875 11.879,877 5.044,878 7.521,879 23.453,881 19.74,883 2.021,884 64.667,887 1,888 353.133,889 139.343,890 26.158,892 36.145,895 139.343,896 389.278,897 26.158,898 8.825,899 25.42,900 85.286,901 41.93,902 33.421,903 6.763,904 353.133,906 353.133,907 165.501,908 36.145,911 306.049,912 83.229,915 42.27,916 106.445,917 16.786,919 353.133,920 62.303,921 139.343,924 353.133,925 45.231,926 103.484,928 52.93,929 353.133,930 62.303,931 139.343,933 0.58,934 0.342,935 0.19,936 0.106,937 25,938 10,939 0.076,940 5,941 1,942 1.071,943 4.475,944 292.541,945 0.071,946 28,947 154,951 21.234,952 9.475,953 4.77,954 2.307,955 62.303,956 19.044,957 4.685,961 4.548,964 554.779,965 45.5,970 12.044,974 -0.233,975 61.549,976 69.81,977 0.243,978 0.548,979 0.755,980 0.895,981 0.906,982 0.906,983 5.083,984 1.597,985 5.979,986 5.389,987 4.615,988 5.094,989 2.493,990 6.777,991 4.53,992 6.258,993 1.421,994 7.525,995 4.49,996 4.111,997 4.832,998 1.961,999 7.644,1000 3.969,1001 7.55,1002 1.414,1003 9.171,1004 3.468,1005 6.192,1006 7.247,1007 3.554,1008 10.754,1009 6.018,1010 8.875,1011 1.292,1012 10.878,1013 3.164,1014 6.524,1015 7.846,1016 3.671,1017 12.485,1018 6.291,1019 10.236,1020 1,1021 12.627,1022 2.888,1023 8.047,1024 9.739,1025 4.959,1026 15.102,1027 7.786,1028 11.62,1029 1,1030 14.404,1031 2.424,1032 8.781,1033 10.769,1034 5.372,1035 17.193,1036 8.469,1037 13.024,1038 0.859,1039 16.203,1040 2.275,1041 10.066,1042 12.437,1043 6.458,1044 19.643,1045 9.723,1046 3.139,1047 0.621,1048 18.018,1049 2.035,1050 11,1051 13.693,1052 7.028,1053 21.889,1054 10.612,1055 3.009,1056 10.856,1057 19.846,1058 1.499,1059 12.183,1060 15.259,1061 7.994,1062 24.281,1063 11.764,1064 2.658,1065 9.989,1066 21.685,1067 4.474,1068 13.213,1069 16.632,1070 8.654,1071 26.593,1072 12.755,1073 2.506,1074 8.004,1075 23.532,1076 3.762,1077 14.355,1078 18.153,1079 9.549,1080 28.966,1081 13.865,1082 2.338,1083 7.254,1084 25.386,1085 3.249,1086 15.433,1087 19.585,1088 10.263,1089 31.307,1090 14.907,1091 2.043,1092 6.779,1093 27.246,1094 3.1,1095 16.561,1096 21.087,1097 11.116,1098 33.675,1099 16.003,1100 1.905,1101 5.735,1102 29.11,1103 2.735,1104 17.663,1105 22.55,1106 11.862,1107 36.031,1108 17.071,1109 15471,1110 23407,1111 24.849,1112 40.83,1113 53.713,1114 55.031,1115 54.889,1116 53.617,1117 53.606,1118 67.256,1119 9.186,1120 152.497,1121 51.412,1122 5.551,1123 5.804,1124 6.38,1125 5.216,1126 5.139,1127 7.474,1128 3.912,1129 18.031,1130 5.046,1131 11.121,1132 1.492,1133 1.529,1134 1.525,1135 1.489,1136 1.489,1137 1.868,1138 0.255,1139 4.236,1140 1.428,1141 4.096,1142 4.13,1143 4.053,1144 4.016,1145 7.433,1146 4.021,1147 3.97,1148 4.005,1149 3.91,1150 3.885,1151 4.983,1152 3.885,1153 3.792,1154 3.861,1155 3.686,1156 3.599,1157 4.741,1158 3.61,1159 3.696,1160 3.739,1161 3.596,1162 3.508,1163 4.46,1164 3.519,1165 3.516,1166 3.57,1167 3.412,1168 3.413,1169 4.439,1170 3.405,1171 3.337,1172 3.41,1173 3.183,1174 3.188,1175 4.283,1176 3.176,1177 3.111,1178 3.206,1179 2.996,1180 2.953,1181 3.975,1182 2.94,1183 3.104,1184 3.164,1185 2.938,1186 2.941,1187 3.852,1188 2.91,1189 0.126,1190 0.106,1191 0.186,1192 0.114,1193 0.087,1194 4.551,1195 0.124,1196 3.804,1197 0.061,1198 6.695,1199 0.302,1200 4.108,1201 0.085,1202 3.139,1203 4.474,1204 2.208,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.359,1212 2.144,1213 1.94,1214 1.91,1215 2.062,1216 2.057,1217 1.258,1218 2.059,1219 1.747,1220 1.679,1221 1.946,1222 1.963,1223 1.205,1224 1.961,1225 1.648,1226 1.597,1227 1.874,1228 1.851,1229 1.131,1230 1.859,1231 1.521,1232 1.472,1233 1.733,1234 1.665,1235 0.868,1236 1.689,1237 1.346,1238 1.277,1239 1.62,1240 1.538,1241 0.825,1242 1.57,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.802,1248 1.429,1249 1.111,1250 1.04,1251 1.424,1252 1.304,1253 0.499,1254 1.349,1255 4.29,1257 5.609,1259 7.135,1261 8.752,1263 10.414,1265 2.04,1271 8.281,1273 5.189,1276 6.761,1280 38.364,1281 89.742,1282 202.353,1283 278.856,1284 330.405,1285 334.405,1286 334.405,1287 43.833,1288 8.335,1289 48.91,1290 48.91,1291 30,1292 12.679,1293 4.248,1294 3.392,1295 46.105,1296 162,1297 136,1298 0.138,1299 232.027,1300 401.68,1301 557.907,1302 59793,1304 21.916,1305 0.685,1306 0.583,1307 21.916,1308 18.665,1309 15.67,1310 0.435,1311 0.321,1312 11.394,1313 15.105,1314 11.133,1315 9.156,1316 15.67,1317 11.542,1318 14.013,1319 0.28,1320 0.173,1321 14.013,1322 8.665,1323 12.053,1324 0.18,1325 0.097,1326 12.053,1327 6.472,1328 10.238,1329 0.116,1330 0.053,1331 10.238,1332 4.682,1333 8.64,1334 0.076,1335 0.03,1336 8.64,1337 3.443,1338 0.224,1339 97.638,1340 0.201,1341 30.48,1342 0.356,1343 172,1344 440.052,1345 187.386,1346 424.456,1347 593.36,1348 402,1349 203,1350 445.359,1351 218.862,1352 449.73,1353 662.88,1354 425,1355 9.6} {0 CHEMBL1631544,1 1.46,2 13.531,3 3.483,4 12.133,5 125.314,6 7.143,7 0.472,8 4.186,9 4.31,10 3.734,11 3.748,12 5.208,13 3.717,14 4.765,15 4.952,16 4.11,17 4.162,18 5.737,19 4.11,20 5.045,21 5.265,22 4.161,23 4.321,24 6.016,25 4.241,26 5.073,27 5.297,28 4.089,29 4.338,30 6.091,31 4.219,32 5.123,33 5.378,34 4.003,35 4.324,36 5.978,37 4.185,38 5.067,39 5.329,40 3.888,41 4.234,42 5.896,43 4.082,44 4.97,45 5.238,46 3.686,47 4.08,48 5.781,49 3.916,50 4.828,51 5.108,52 3.59,53 3.931,54 5.613,55 3.773,56 0.023,57 0.889,58 12.718,59 5.507,60 6.09,61 7.516,62 0.259,63 1.512,64 24.858,65 9.035,66 19.577,67 12.94,68 0.384,69 1.875,70 34.698,71 11.924,72 40.361,73 16.848,74 0.366,75 1.852,76 35.555,77 13.961,78 73.971,79 19.516,80 0.306,81 1.908,82 38.378,83 14.445,84 47.636,85 20.664,86 0.292,87 1.806,88 36.42,89 13.578,90 43.011,91 19.619,92 0.345,93 1.611,94 33.644,95 11.927,96 48.861,97 17.237,98 0.375,99 1.388,100 29.533,101 10.265,102 39.846,103 15.122,104 10,105 51,106 0.235,107 0.521,108 0.692,109 0.824,110 0.835,111 0.835,112 3.502,113 0.947,114 -3.92,115 -3.87,116 -3.67,119 43.3,120 1,121 3,125 5,140 9,141 2,142 2,144 2,156 2,169 10,171 2,172 13,178 11,181 1,182 9,189 7,192 2,193 11,199 10,203 8,211 6,214 1,215 9,222 5,225 1,226 4,233 2,236 2,237 3,244 4,248 1,249 3,256 8,259 1696,260 21.878,261 21.878,262 21.878,263 21.878,264 21.878,265 19.631,266 27.192,267 12.776,268 22.218,269 17.77,270 17.77,271 17.77,272 17.77,273 17.77,274 14.267,275 35.657,276 6.056,277 18.304,278 4.447,279 2.669,280 1.6,281 0.779,282 0.713,283 0.713,284 4.212,288 1,289 1,290 963,291 2.739,294 91.109,295 387.309,299 152.479,302 2.152,303 26.882,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 433,316 4.551,317 3.977,318 6.731,319 4.109,320 3.141,321 4.474,322 2.049,323 10.863,324 3.046,325 4.367,326 3.317,327 6.695,328 4.106,329 3.138,330 3.815,331 1.798,332 10.856,333 3.027,334 3.906,335 3.28,336 5.808,337 3.611,338 2.663,339 3.281,340 0.8,341 8.004,342 2.564,343 3.852,344 2.919,345 5.507,346 3.524,347 2.541,348 3.249,349 0.8,350 7.372,351 2.456,352 3.531,353 2.796,354 5.309,355 3.292,356 2.348,357 2.735,358 0.314,359 6.82,360 2.212,361 3.348,362 2.628,363 4.968,364 3.012,365 2.045,366 2.539,368 5.74,369 1.975,370 3.226,371 2.324,372 4.92,373 2.893,374 1.903,375 2.415,377 5.504,378 1.874,379 3.214,380 2.239,381 4.732,382 2.795,383 1.732,384 2.303,386 4.726,387 1.822,388 3.027,389 1.651,390 4.558,391 2.574,392 1.597,393 2.241,395 4.49,396 1.559,397 2.776,398 1.478,399 4.036,400 2.4,401 1.419,402 1.847,404 3.466,405 1.387,406 2.677,407 1.359,408 3.766,409 2.235,410 1.242,411 1.75,413 2.781,414 1.232,415 2.257,416 1.301,417 3.476,418 1.967,419 1,420 1.169,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.84,428 0.861,429 1,431 2.127,432 0.842,433 1.931,434 0.915,435 3.372,436 1.801,437 0.819,438 0.893,440 2.033,441 0.802,442 1.765,443 0.889,444 3.184,445 1.598,446 0.62,447 0.695,449 1.496,450 0.605,451 15.267,452 0.477,453 0.763,454 0.024,455 41.25,456 1.289,457 20,458 0.625,459 21.25,460 0.664,461 28.19,462 0.881,463 33.933,464 0.566,465 30.496,466 0.953,467 7.962,468 0.249,469 7.619,470 0.238,471 0.076,473 0.341,479 0.665,480 1.421,481 0.793,482 1.125,483 0.503,484 0.996,485 0.799,486 1.171,487 0.89,488 0.965,489 0.532,490 0.929,491 1.27,492 0.937,493 1.08,494 0.917,495 1.041,496 0.951,497 0.785,498 1.101,499 1.026,500 1.135,501 0.761,502 1.119,503 0.834,504 1.003,505 0.997,506 1.029,507 0.765,508 1.032,509 0.738,510 1.049,511 1.022,512 1.094,513 0.66,514 1.091,515 0.993,516 1.042,517 1.124,518 1.074,519 0.961,520 1.11,521 0.799,522 0.948,523 0.976,524 0.935,525 0.757,526 0.97,527 6,528 0.127,529 3.778,530 2.347,531 1.641,532 0.896,533 0.602,534 0.372,535 0.268,536 0.202,537 16687,538 39607,539 2.154,540 46.7,542 19,546 7,547 2,550 1.738,551 2.043,552 3.675,553 -0.805,555 1,559 87.596,560 1.46,561 3.238,562 4.307,563 5.128,564 5.194,565 5.194,566 3.091,567 4.5,568 4.976,569 3.912,570 1940.31,571 8.663,572 29661.3,574 1,577 354.413,578 1.317,579 4.943,580 0.167,581 0.005,582 0.074,583 0.045,584 0.035,585 0.021,586 0.016,587 0.013,588 0.01,589 0.007,590 0.393,591 0.5,592 0.88,593 0.476,594 171.183,595 0.015,596 -0.247,597 0.076,598 -0.077,599 -0.001,600 -0.01,601 0.076,602 -0.031,603 0.046,604 0.012,605 0.041,606 0.024,607 -0.164,608 0.138,609 -0.099,610 0.038,611 -0.077,612 -0.006,613 0.085,614 -0.117,615 -0.071,616 -0.123,617 0.154,618 -0.119,619 -0.044,620 -0.042,621 -0.028,622 -0.033,623 -0.021,624 -0.028,625 0.004,626 -0.087,627 -0.052,628 -0.107,629 -0.014,630 -0.089,631 -0.079,632 -0.088,633 -0.131,634 -0.106,635 -0.106,636 -0.125,637 0.076,638 -0.002,639 0.025,640 0.028,641 -0.006,642 0.019,643 1.762,644 5.036,645 0.844,646 33.5,647 0.994,648 1.123,649 2.685,650 7.211,651 0.668,652 3.611,653 3.951,654 4.248,655 4.533,656 4.736,657 4.771,658 4.898,659 5.011,660 5.081,661 5.118,662 8.139,663 0.631,664 428.58,665 3.611,666 5.165,667 6.028,668 6.915,669 7.79,670 8.679,671 9.559,672 10.449,673 11.33,674 12.221,675 6.7,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 60,716 19,717 2,718 36,720 64,721 26,722 15,723 5,724 7,730 5,731 6,736 1,740 2,743 3,745 17,746 9,750 2,755 2,759 2,761 1,764 28,765 6,767 6,773 4,775 1,777 0.8,778 2,786 1,792 1,793 4,797 1,815 1,819 4,823 1,827 32,833 8,838 3,847 3.3,850 2,854 15.667,855 11.133,856 6.917,857 3.856,858 3.58,859 1.43,860 1.013,861 5.84,862 11.915,863 3.861,864 4.443,865 5.006,866 5.595,867 6.124,868 6.346,869 6.679,870 7.005,871 7.23,872 7.141,873 0.889,874 52,875 11.908,877 5.151,878 7.635,879 23.254,881 19.751,883 2.135,884 68.333,887 1,888 329.591,889 137.826,890 26.158,892 50.29,895 137.826,896 379.881,897 26.158,898 8.825,899 21.256,900 85.286,901 76.485,902 22.422,904 329.591,906 329.591,907 163.984,908 50.29,911 306.049,912 73.832,915 38.107,916 109.092,917 16.786,919 329.591,920 76.448,921 137.826,924 329.591,925 43.714,926 103.484,928 67.075,929 329.591,930 76.448,931 137.826,933 0.586,934 0.348,935 0.194,936 0.104,937 26,938 11,939 0.078,940 5,941 1,942 1.074,943 4.434,944 294.863,945 0.074,946 27,947 148,951 20.964,952 8.914,953 4.384,954 2.272,955 76.448,956 18.502,957 4.671,961 4.178,964 543.865,965 46.5,970 24.072,974 -0.191,975 59.665,976 67.394,977 0.247,978 0.548,979 0.729,980 0.868,981 0.879,982 0.879,983 5.113,984 1.732,985 6.014,986 5.504,987 4.635,988 5.13,989 2.73,990 6.834,991 4.578,992 6.305,993 1.597,994 7.576,995 4.726,996 4.205,997 4.924,998 2.301,999 7.753,1000 4.106,1001 7.608,1002 1.419,1003 9.238,1004 4.49,1005 6.236,1006 7.293,1007 3.647,1008 10.869,1009 6.109,1010 8.944,1011 1.242,1012 10.96,1013 3.466,1014 6.635,1015 7.918,1016 3.808,1017 12.655,1018 6.46,1019 10.312,1020 1,1021 12.723,1022 2.781,1023 8.125,1024 9.784,1025 4.831,1026 15.286,1027 7.925,1028 11.704,1029 0.861,1030 14.516,1031 2.275,1032 8.914,1033 10.825,1034 5.254,1035 17.429,1036 8.669,1037 13.115,1038 0.819,1039 16.33,1040 2.127,1041 10.186,1042 12.478,1043 6.115,1044 19.899,1045 9.915,1046 3.141,1047 0.62,1048 18.161,1049 2.033,1050 11.161,1051 13.737,1052 6.671,1053 22.187,1054 10.849,1055 3.138,1056 10.863,1057 20.007,1058 1.496,1059 12.344,1060 15.294,1061 7.451,1062 24.6,1063 12.005,1064 2.663,1065 10.856,1066 21.863,1067 4.474,1068 13.406,1069 16.667,1070 8.077,1071 26.945,1072 13.03,1073 2.541,1074 8.004,1075 23.728,1076 3.815,1077 14.557,1078 18.182,1079 8.816,1080 29.34,1081 14.15,1082 2.348,1083 7.372,1084 25.6,1085 3.281,1086 15.659,1087 19.612,1088 9.479,1089 31.708,1090 15.218,1091 2.045,1092 6.82,1093 27.478,1094 3.249,1095 16.799,1096 21.111,1097 10.201,1098 34.096,1099 16.327,1100 1.903,1101 5.74,1102 29.361,1103 2.735,1104 17.92,1105 22.571,1106 10.885,1107 36.474,1108 17.414,1109 15333,1110 23777,1111 24.561,1112 40.069,1113 54.4,1114 56.113,1115 55.951,1116 54.094,1117 54.137,1118 68.814,1119 11.523,1120 157.107,1121 52.734,1122 5.551,1123 5.977,1124 6.283,1125 5.176,1126 5.141,1127 7.474,1128 3.493,1129 18.039,1130 5.046,1131 13.563,1132 1.511,1133 1.559,1134 1.554,1135 1.503,1136 1.504,1137 1.911,1138 0.32,1139 4.364,1140 1.465,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 7.445,1146 4.021,1147 3.986,1148 4.017,1149 3.933,1150 3.894,1151 7.409,1152 3.896,1153 3.806,1154 3.87,1155 3.71,1156 3.619,1157 4.983,1158 3.634,1159 3.727,1160 3.768,1161 3.637,1162 3.573,1163 4.726,1164 3.581,1165 3.516,1166 3.569,1167 3.412,1168 3.414,1169 4.44,1170 3.406,1171 3.332,1172 3.406,1173 3.179,1174 3.185,1175 4.284,1176 3.172,1177 3.111,1178 3.206,1179 2.94,1180 2.952,1181 3.986,1182 2.938,1183 3.086,1184 3.161,1185 2.921,1186 2.941,1187 3.941,1188 2.91,1189 0.126,1190 0.11,1191 0.187,1192 0.114,1193 0.087,1194 4.551,1195 0.124,1196 3.977,1197 0.057,1198 6.731,1199 0.302,1200 4.109,1201 0.085,1202 3.141,1203 4.474,1204 2.049,1205 10.863,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.932,1214 1.902,1215 2.053,1216 2.036,1217 1.239,1218 2.043,1219 1.741,1220 1.672,1221 1.935,1222 1.942,1223 1.149,1224 1.944,1225 1.544,1226 1.498,1227 1.783,1228 1.734,1229 1.073,1230 1.749,1231 1.524,1232 1.475,1233 1.734,1234 1.676,1235 0.883,1236 1.694,1237 1.392,1238 1.343,1239 1.631,1240 1.614,1241 0.825,1242 1.608,1243 1.249,1244 1.205,1245 1.513,1246 1.487,1247 0.803,1248 1.473,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.429,1255 4.29,1257 5.624,1258 2.398,1259 7.154,1260 4.727,1261 8.772,1262 6.783,1263 10.437,1265 2.029,1271 6.515,1276 6.284,1280 37.837,1281 87.596,1282 194.28,1283 258.4,1284 307.659,1285 311.659,1286 311.659,1287 53.093,1288 8.335,1289 56.75,1290 56.75,1291 29,1292 12.751,1293 4.322,1294 3.524,1295 46.111,1296 161,1297 136,1298 0.139,1299 229.1,1300 399.04,1301 550.764,1302 59055,1304 22.079,1305 0.69,1306 0.577,1307 22.079,1308 18.458,1309 15.581,1310 0.433,1311 0.316,1312 11.242,1313 15.082,1314 10.975,1315 9.01,1316 15.581,1317 11.368,1318 14.197,1319 0.278,1320 0.17,1321 14.197,1322 8.668,1323 12.205,1324 0.177,1325 0.094,1326 12.205,1327 6.498,1328 10.554,1329 0.115,1330 0.051,1331 10.554,1332 4.732,1333 8.465,1334 0.075,1335 0.029,1336 8.465,1337 3.304,1338 0.226,1339 96.733,1340 0.202,1341 30.416,1342 0.36,1343 174,1344 452.052,1345 188.059,1346 439.855,1347 609.52,1348 414,1349 207,1350 454.245,1351 221.7,1352 458.898,1353 675.6,1354 435,1355 8.801} {0 CHEMBL1631545,1 1.34,2 13.3,3 4.55,4 20.699,5 122.778,6 6.975,7 0.647,8 4.136,9 4.269,10 3.675,11 3.702,12 5.133,13 3.664,14 4.689,15 4.884,16 4.017,17 4.099,18 5.608,19 4.042,20 4.941,21 5.175,22 4.024,23 4.255,24 5.774,25 4.152,26 5.005,27 5.249,28 3.96,29 4.289,30 5.781,31 4.147,32 5.062,33 5.334,34 3.895,35 4.271,36 5.787,37 4.113,38 4.99,39 5.263,40 3.767,41 4.172,42 5.723,43 4.005,44 4.886,45 5.17,46 3.598,47 4.02,48 5.59,49 3.842,50 4.726,51 5.012,52 3.494,53 3.868,54 5.402,55 3.703,56 0.076,57 0.873,58 12.533,59 5.1,60 9.569,61 7.215,62 0.182,63 1.452,64 23.349,65 8.046,66 19.412,67 11.889,68 0.303,69 1.767,70 31.143,71 10.809,72 27.166,73 15.97,74 0.218,75 1.798,76 33.085,77 13.141,78 25.572,79 19.046,80 0.243,81 1.842,82 35.966,83 13.707,84 27.846,85 20.145,86 0.268,87 1.72,88 33.586,89 12.478,90 28.784,91 18.4,92 0.28,93 1.533,94 30.603,95 11.137,96 27.173,97 16.504,98 0.191,99 1.302,100 26.053,101 9.403,102 18.085,103 14.03,104 2,105 47,106 0.217,107 0.523,108 0.715,109 0.852,110 0.864,111 0.864,112 3.44,113 0.943,114 -4.48,115 -4.41,116 -4.16,119 43.9,120 1,121 1,125 5,140 10,141 2,142 2,143 1,144 2,149 1,164 1,169 9,172 11,178 11,181 1,182 9,189 7,192 1,193 9,199 8,203 6,211 4,214 1,215 5,222 3,225 2,226 4,233 2,237 2,244 4,248 1,249 3,256 8,259 1426,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.309,266 24.244,267 12.433,268 21.271,269 16.829,270 16.829,271 16.829,272 16.829,273 16.829,274 13.036,275 29.47,276 5.932,277 17.471,278 4.493,279 2.604,280 1.424,281 0.575,282 0.504,283 0.504,284 4.155,288 1,289 1,290 897,291 2.55,294 84.509,295 360.542,299 140.676,302 2.08,303 11.302,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62.5,315 399,316 4.551,317 3.28,318 6.695,319 4.108,320 3.139,321 4.474,322 0.8,323 10.856,324 3.046,325 4.273,326 3.039,327 6.171,328 3.865,329 2.901,330 3.927,331 0.8,332 9.182,333 2.799,334 3.858,335 2.884,336 5.807,337 3.589,338 2.652,339 3.286,341 8.003,342 2.481,343 3.781,344 2.679,345 5.397,346 3.412,347 2.448,348 3.249,350 7.087,351 2.362,352 3.522,353 2.521,354 5.237,355 3.254,356 2.3,357 2.735,359 6.641,360 2.185,361 3.335,362 2.25,363 4.96,364 2.996,365 2.035,366 2.52,368 5.729,369 1.951,370 3.155,371 1.802,372 4.559,373 2.718,374 1.737,375 2.395,377 4.507,378 1.701,379 3.026,380 1.649,381 4.405,382 2.572,383 1.595,384 2.241,386 4.382,387 1.557,388 2.778,389 1.476,390 4.036,391 2.398,392 1.418,393 1.851,395 3.465,396 1.386,397 2.69,398 1.278,399 3.514,400 2.226,401 1.234,402 1.772,404 2.682,405 1.223,406 2.284,407 1.146,408 3.414,409 1.967,410 1,411 1.182,413 2.275,414 0.965,415 2.256,416 0.913,417 3.372,418 1.84,419 0.86,420 1.164,422 2.037,423 0.841,424 2.118,425 0.807,426 3.26,427 1.777,428 0.793,429 1,431 1.914,432 0.779,433 2,434 0.72,435 3.163,436 1.596,437 0.618,438 0.927,440 1.491,441 0.604,442 1.765,443 0.618,444 3,445 1.565,446 0.618,447 0.695,449 1.372,450 0.584,451 14.5,452 0.483,453 0.585,454 0.019,455 40.25,456 1.342,457 20.5,458 0.683,459 19.75,460 0.658,461 24.545,462 0.818,463 31.1,464 0.546,465 27.582,466 0.919,467 7.94,468 0.265,469 6.819,470 0.227,471 0.034,473 0.29,479 0.819,480 1.349,481 0.825,482 1.095,483 0.778,484 0.984,485 1.458,486 1.207,487 0.969,488 0.954,489 0.842,490 0.923,491 1.443,492 0.945,493 1.105,494 0.929,495 1.064,496 0.975,497 0.764,498 1.093,499 1.036,500 1.141,501 0.814,502 1.118,503 0.86,504 0.981,505 0.979,506 1.013,507 0.873,508 1.008,509 0.964,510 1.007,511 1.077,512 1.073,513 1.149,514 1.084,515 0.946,516 0.968,517 1.068,518 1.051,519 1.074,520 1.068,521 0.982,522 1.023,523 0.982,524 1.003,525 0.791,526 0.994,527 5,528 0.11,529 3.111,530 1.278,531 1.481,532 0.729,533 0.441,534 0.372,535 0.17,536 0.122,537 14413,538 30968,539 2.207,540 47.4,542 20,543 1,544 1,546 3,547 2,550 1.721,551 2.143,552 3.678,553 -0.825,559 76.387,560 1.34,561 3.228,562 4.408,563 5.258,564 5.328,565 5.328,566 3.099,567 4.348,568 4.881,569 3.869,570 1682.96,571 8.473,572 24470.8,574 1,577 332.475,578 1.075,579 4.87,580 0.147,581 0.005,582 0.066,583 0.028,584 0.035,585 0.019,586 0.013,587 0.014,588 0.007,589 0.005,590 0.339,591 0.33,592 0.88,593 0.327,594 157.27,595 0.195,596 -0.187,597 0.094,598 -0.077,599 0.109,600 -0.014,601 -0.13,602 -0.075,603 0.005,604 0.002,605 0.098,606 0.014,607 -0.2,608 0.122,609 -0.119,610 0.027,611 -0.079,612 -0.027,613 0.03,614 -0.122,615 -0.077,616 -0.13,617 0.034,618 -0.116,619 -0.022,620 -0.042,622 -0.015,623 -0.031,624 -0.007,625 -0.032,626 -0.055,627 -0.092,628 -0.09,629 -0.185,630 -0.096,631 0.039,632 -0.025,633 -0.072,634 -0.079,635 -0.136,636 -0.085,637 -0.017,638 -0.088,639 0.016,640 -0.028,641 0.002,642 -0.007,643 0.596,644 1.691,645 0.9,646 30.969,647 0.986,648 1.124,649 3.253,650 10.582,651 0.674,652 3.555,653 3.871,654 4.159,655 4.431,656 4.654,657 4.7,658 4.82,659 4.927,660 5.004,661 5.043,662 7.833,663 0.63,664 397.57,665 3.555,666 5.094,667 5.948,668 6.821,669 7.688,670 8.565,671 9.437,672 10.315,673 11.189,674 12.068,675 8.8,678 1,681 1,683 1,685 2,687 2,688 12,689 2,693 4,694 1,695 22,709 1,714 57,716 22,717 2,718 34,720 61,721 25,722 18,723 5,724 7,730 5,731 6,736 1,743 1,745 18,746 7,761 1,764 27,765 4,767 5,773 5,777 0.8,784 1,786 1,792 1,793 4,797 1,815 1,819 4,823 1,827 30,833 6,838 2,854 14,855 10.5,856 6.528,857 3.568,858 4.078,859 1.501,860 1.028,861 5.416,862 12.216,863 3.829,864 4.434,865 5.041,866 5.643,867 6.152,868 6.414,869 6.765,870 7.083,871 7.344,872 7.274,873 0.889,874 46,875 11.078,877 4.66,878 7.4,879 22.015,881 18.455,883 1.9,884 57,887 1,888 317.82,889 150.918,890 41.474,895 150.918,896 317.82,897 41.474,898 8.825,899 13.063,900 103.81,901 45.22,902 33.246,903 11.771,904 294.278,906 317.82,907 192.392,911 294.278,912 23.542,915 40.737,916 118.206,917 33.449,919 317.82,920 41.474,921 150.918,924 317.82,925 29.236,926 129.708,928 33.449,929 317.82,930 41.474,931 150.918,933 0.578,934 0.339,935 0.189,936 0.102,937 24,938 9,939 0.082,940 5,941 1,942 1.074,943 4.364,944 267.808,945 0.074,946 27,947 139.207,951 19.139,952 8.489,953 4.224,954 2.346,955 39.697,956 25.254,957 9.029,961 4.871,962 1.919,964 510.212,965 45,975 56.229,976 64.059,977 0.23,978 0.553,979 0.756,980 0.901,981 0.914,982 0.914,983 5.053,984 1.595,985 5.911,986 4.507,987 4.554,988 5.121,989 1.072,990 6.698,991 4.481,992 6.241,993 1.418,994 7.447,995 4.382,996 4.007,997 4.796,998 0.57,999 7.535,1000 3.876,1001 7.532,1002 1.234,1003 9.083,1004 3.465,1005 6.12,1006 7.319,1007 0.653,1008 10.641,1009 5.97,1010 8.861,1011 1,1012 10.781,1013 2.682,1014 6.431,1015 7.894,1016 0.479,1017 12.349,1018 6.225,1019 10.224,1020 0.86,1021 12.519,1022 2.275,1023 7.959,1024 9.828,1025 0.432,1026 14.954,1027 7.734,1028 11.611,1029 0.793,1030 14.286,1031 2.037,1032 8.677,1033 10.849,1034 0.346,1035 17.03,1036 8.406,1037 13.018,1038 0.618,1039 16.075,1040 1.914,1041 9.959,1042 12.529,1043 0.291,1044 19.471,1045 9.667,1046 3.139,1047 0.618,1048 17.88,1049 1.491,1050 10.88,1051 13.781,1052 0.237,1053 21.709,1054 10.548,1055 2.901,1056 10.856,1057 19.699,1058 1.372,1059 12.058,1060 15.347,1061 0.195,1062 24.097,1063 11.703,1064 2.652,1065 9.182,1066 21.528,1067 4.474,1068 13.079,1069 16.715,1070 0.158,1071 26.407,1072 12.69,1073 2.448,1074 8.003,1075 23.366,1076 3.927,1077 14.216,1078 18.232,1079 0.129,1080 28.781,1081 13.802,1082 2.3,1083 7.087,1084 25.212,1085 3.286,1086 15.287,1087 19.66,1088 0.104,1089 31.125,1090 14.842,1091 2.035,1092 6.641,1093 27.064,1094 3.249,1095 16.41,1096 21.157,1097 0.084,1098 33.497,1099 15.939,1100 1.737,1101 5.729,1102 28.922,1103 2.735,1104 17.507,1105 22.615,1106 0.068,1107 35.857,1108 17.006,1109 13099,1110 19330,1111 23.75,1112 38.404,1113 51.081,1114 50.447,1115 51.039,1116 50.738,1117 50.7,1118 66.835,1119 3.2,1120 143.246,1121 48.926,1122 5.551,1123 5.28,1124 6.295,1125 5.176,1126 5.139,1127 7.474,1128 1.2,1129 18.031,1130 5.046,1131 7.591,1132 1.502,1133 1.484,1134 1.501,1135 1.492,1136 1.491,1137 1.966,1138 0.094,1139 4.213,1140 1.439,1141 4.098,1142 4.134,1143 4.055,1144 4.016,1145 5.01,1146 4.022,1147 4.013,1148 4.058,1149 3.965,1150 3.908,1151 4.974,1152 3.913,1153 3.811,1154 3.881,1155 3.714,1156 3.625,1157 4.64,1158 3.64,1159 3.715,1160 3.768,1161 3.629,1162 3.566,1163 4.439,1164 3.575,1165 3.515,1166 3.568,1167 3.411,1168 3.413,1169 4.282,1170 3.405,1171 3.327,1172 3.401,1173 3.175,1174 3.181,1175 3.972,1176 3.168,1177 3.111,1178 3.206,1179 2.939,1180 2.952,1181 3.831,1182 2.938,1183 3.086,1184 3.161,1185 2.866,1186 2.941,1187 3.685,1188 2.91,1189 0.134,1190 0.096,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.28,1197 0.024,1198 6.695,1199 0.319,1200 4.108,1201 0.09,1202 3.139,1203 4.474,1204 0.8,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.939,1214 1.908,1215 2.057,1216 2.047,1217 1.24,1218 2.052,1219 1.743,1220 1.673,1221 1.937,1222 1.948,1223 1.151,1224 1.949,1225 1.525,1226 1.476,1227 1.734,1228 1.679,1229 0.89,1230 1.697,1231 1.461,1232 1.412,1233 1.659,1234 1.618,1235 0.825,1236 1.633,1237 1.367,1238 1.299,1239 1.61,1240 1.563,1241 0.803,1242 1.577,1243 1.185,1244 1.105,1245 1.513,1246 1.458,1247 0.656,1248 1.443,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.429,1255 4.234,1257 5.549,1258 2.398,1259 7.062,1260 4.443,1261 8.666,1262 6.293,1263 10.317,1265 2.051,1271 6.447,1276 5.082,1280 35.902,1281 76.387,1282 184.023,1283 251.281,1284 299.72,1285 303.72,1286 303.72,1287 33.086,1288 8.138,1289 37.19,1290 37.19,1291 29,1292 12.606,1293 4.524,1294 3.585,1295 41.964,1296 145,1297 118,1298 0.14,1299 218.31,1300 364.26,1301 524.435,1302 46082,1304 20.338,1305 0.678,1306 0.58,1307 20.338,1308 17.407,1309 14.759,1310 0.434,1311 0.314,1312 10.575,1313 14.316,1314 10.309,1315 8.521,1316 14.759,1317 10.688,1318 13.132,1319 0.279,1320 0.17,1321 13.132,1322 7.996,1323 11.336,1324 0.18,1325 0.095,1326 11.336,1327 5.957,1328 9.661,1329 0.116,1330 0.052,1331 9.661,1332 4.292,1333 7.817,1334 0.075,1335 0.029,1336 7.817,1337 3.063,1338 0.228,1339 91.179,1340 0.205,1341 28.918,1342 0.365,1343 162,1344 372.226,1345 172.685,1346 372.19,1347 533.38,1348 354,1349 191,1350 414.913,1351 203.323,1352 422.265,1353 616.64,1354 400,1355 9.801} {0 CHEMBL1631548,1 1.53,2 14.688,3 4.579,4 20.968,5 132.524,6 7.073,7 0.486,8 4.233,9 4.356,10 3.894,11 3.803,12 5.174,13 3.737,14 4.817,15 5.008,16 4.155,17 4.192,18 5.907,19 4.107,20 5.096,21 5.327,22 4.197,23 4.362,24 6.014,25 4.241,26 5.149,27 5.387,28 4.146,29 4.383,30 6.065,31 4.232,32 5.185,33 5.441,34 4.062,35 4.35,36 6.087,37 4.198,38 5.098,39 5.358,40 3.953,41 4.283,42 5.923,43 4.115,44 5.04,45 5.308,46 3.793,47 4.171,48 5.845,49 3.993,50 4.927,51 5.205,52 3.699,53 4.051,54 5.704,55 3.859,56 0.104,57 0.968,58 17.731,59 6.38,60 14.518,61 8.525,62 0.401,63 1.584,64 30.763,65 10.562,66 57.772,67 14.505,68 0.426,69 1.96,70 40.836,71 13.696,72 50.146,73 18.87,74 0.331,75 1.995,76 44.604,77 16.018,78 56.069,79 21.486,80 0.446,81 1.976,82 43.919,83 15.253,84 68.238,85 21.232,86 0.313,87 1.859,88 40.735,89 14.674,90 44.483,91 20.518,92 0.383,93 1.714,94 38.683,95 13.195,96 50.43,97 18.806,98 0.383,99 1.512,100 33.782,101 11.951,102 41.65,103 17.081,104 21,105 49,106 0.244,107 0.531,108 0.739,109 0.848,110 0.858,111 0.858,112 3.502,113 1.116,114 -3.71,115 -3.68,116 -3.5,119 39.1,120 2,121 2,125 6,140 9,141 2,142 2,144 2,169 10,171 1,172 7,174 2,176 2,178 11,181 1,182 7,186 3,189 7,192 1,193 11,197 3,199 6,203 8,211 4,215 9,218 1,222 5,225 1,226 4,233 6,236 2,237 1,244 6,249 4,252 1,256 8,259 1778,260 21.541,261 21.541,262 21.541,263 21.541,264 21.541,265 19.192,266 23.375,267 12.76,268 21.999,269 17.279,270 17.279,271 17.279,272 17.279,273 17.279,274 13.659,275 27.945,276 5.985,277 18.035,278 4.47,279 2.668,280 1.363,281 0.68,282 0.617,283 0.617,284 4.198,289 1,290 1012,291 3.873,295 405.75,299 157.196,302 2.227,303 27.196,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68,315 470,316 4.697,317 4.459,318 6.741,319 4.146,320 3.217,321 4.489,322 0.8,323 11.045,324 3.046,325 4.551,326 3.28,327 6.695,328 4.108,329 3.139,330 4.474,331 0.8,332 10.856,333 2.969,334 4.038,335 2.921,336 5.808,337 3.65,338 2.683,339 3.642,341 8.005,342 2.609,343 3.855,344 2.797,345 5.575,346 3.559,347 2.604,348 3.249,350 7.653,351 2.462,352 3.538,353 2.625,354 5.32,355 3.303,356 2.365,357 2.737,359 6.875,360 2.219,361 3.367,362 2.282,363 4.97,364 3.024,365 2.056,366 2.604,368 5.801,369 1.986,370 3.265,371 2.219,372 4.923,373 2.924,374 1.954,375 2.446,377 5.686,378 1.888,379 3.027,380 1.651,381 4.558,382 2.574,383 1.597,384 2.242,386 4.49,387 1.559,388 2.776,389 1.477,390 4.036,391 2.399,392 1.418,393 1.847,395 3.466,396 1.386,397 2.674,398 1.336,399 3.624,400 2.218,401 1.226,402 1.75,404 2.676,405 1.215,406 2.257,407 1.184,408 3.47,409 2.104,410 1.11,411 1.169,413 2.275,414 1.101,415 2.18,416 1.146,417 3.414,418 1.967,419 1,420 1.155,422 2.036,423 0.965,424 2,425 0.912,426 3.372,427 1.839,428 0.859,429 1,431 1.886,432 0.84,433 1.766,434 0.731,435 3.186,436 1.601,437 0.623,438 0.698,440 1.505,441 0.608,442 1.199,443 0.5,444 2.885,445 0.865,446 -0.096,447 -0.115,449 -0.256,450 -0.092,451 15.6,452 0.488,453 0.826,454 0.026,455 40.25,456 1.258,457 20,458 0.625,459 20.25,460 0.633,461 29.693,462 0.928,463 35.4,464 0.553,465 29.756,466 0.93,467 7.423,468 0.232,469 8.008,470 0.25,471 0.107,472 0.053,473 0.244,479 0.574,480 1.465,481 0.885,482 1.277,483 0.656,484 1.061,485 0.807,486 1.194,487 1.03,488 1.055,489 0.5,490 0.981,491 1.265,492 0.965,493 1.055,494 0.92,495 1.081,496 0.969,497 0.925,498 1.125,499 1.109,500 1.158,501 0.863,502 1.088,503 1.243,504 0.944,505 0.944,506 0.894,507 1.276,508 0.985,509 0.758,510 1.063,511 0.989,512 1.068,513 0.668,514 1.082,515 0.968,516 1.022,517 1.007,518 1.022,519 0.947,520 1.085,521 0.751,522 0.977,523 0.867,524 0.919,525 0.748,526 1.034,527 7.5,528 0.141,529 3.333,530 2.125,531 1.671,532 0.903,533 0.664,534 0.406,535 0.271,536 0.222,537 15961,538 38429,539 2.074,540 50,541 3,542 21,545 1,546 3,547 4,550 1.738,551 1.949,552 3.788,553 -0.372,559 97.904,560 1.53,561 3.332,562 4.637,563 5.32,564 5.383,565 5.383,566 3.233,567 4.625,568 4.973,569 3.983,570 1975.42,571 8.66,572 30562.3,574 1,577 384,578 1.478,579 4.929,580 0.214,581 0.005,582 0.068,583 0.043,584 0.036,585 0.021,586 0.017,587 0.013,588 0.01,589 0.009,590 0.438,591 0.33,592 1,593 1.156,594 172.081,595 0.142,596 -0.217,597 0.214,598 -0.089,599 -0.123,600 0.005,601 0.212,602 -0.041,603 -0.001,604 -0.021,605 0.304,606 0.007,607 -0.165,608 0.106,609 -0.074,610 0.048,611 -0.105,612 -0.005,613 -0.02,614 -0.117,615 -0.079,616 -0.118,617 0.046,618 -0.082,619 -0.147,620 0.015,621 -0.051,622 0.024,623 -0.116,624 -0.019,625 -0.006,626 -0.084,627 -0.072,628 -0.106,629 -0.01,630 -0.088,631 -0.073,632 -0.064,633 -0.108,634 -0.095,635 -0.107,636 -0.111,637 0.067,638 -0.04,639 -0.001,640 -0.013,641 -0.023,642 -0.06,643 4.175,644 5.035,645 0.688,646 36.16,647 0.992,648 1.127,649 2.481,650 6.155,651 0.66,652 3.584,653 3.912,654 4.127,655 4.394,656 4.615,657 4.663,658 4.771,659 4.89,660 4.956,661 4.99,662 8.404,663 0.611,664 452.68,665 3.584,666 5.13,667 5.964,668 6.845,669 7.694,670 8.579,671 9.435,672 10.32,673 11.18,674 12.066,675 6.3,678 1,680 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 64,716 19,717 2,718 35,720 67,721 25,722 15,723 5,724 7,730 4,731 5,736 2,743 2,745 15,746 10,750 2,753 1,755 2,764 32,765 6,766 1,767 7,768 1,773 4,777 0.75,778 2,786 1,793 4,797 1,815 1,819 3,821 1,823 2,827 32,830 1,833 8,834 1,838 2,847 3.1,850 2,854 16.417,855 11.85,856 7,857 4.115,858 3.48,859 1.434,860 0.995,861 7.22,862 11.507,863 3.839,864 4.454,865 4.929,866 5.516,867 6.058,868 6.286,869 6.6,870 6.938,871 7.163,872 7.054,873 0.9,874 49,875 12.052,877 5.232,878 7.638,879 23.382,881 19.628,883 2.138,884 68.417,888 364.904,889 141.414,890 39.439,892 44.313,894 5.807,895 135.607,896 409.217,897 39.439,898 17.65,899 16.497,900 91.094,901 77.503,902 22.422,904 364.904,906 364.904,907 175.046,908 44.313,909 5.807,911 317.82,912 91.397,915 42.173,916 99.683,917 38.998,919 364.904,920 83.752,921 141.414,923 5.807,924 364.904,925 32.67,926 109.185,927 16.405,928 61.098,929 364.904,930 83.752,931 141.414,933 0.579,934 0.324,935 0.179,936 0.096,937 23,938 10,939 0.119,940 8,941 1,942 1.091,943 4.394,944 282.124,945 0.091,946 22,947 152,950 1,951 22.88,952 10.098,953 5.946,954 2.272,955 83.752,956 18.396,957 4.669,961 4.114,963 16.405,964 590.071,965 45.5,968 -3.258,970 24.069,975 63.509,976 72.145,977 0.255,978 0.555,979 0.773,980 0.887,981 0.897,982 0.897,983 5.083,984 1.597,985 5.969,986 5.686,987 4.595,988 5.142,989 1.072,990 6.783,991 4.512,992 6.303,993 1.418,994 7.53,995 4.49,996 4.29,997 5.19,998 0.57,999 7.867,1000 4.126,1001 7.641,1002 1.226,1003 9.197,1004 3.466,1005 6.236,1006 7.436,1007 0.653,1008 10.857,1009 6.054,1010 9.017,1011 1.11,1012 10.927,1013 2.676,1014 6.723,1015 8.292,1016 0.479,1017 12.745,1018 6.452,1019 10.429,1020 1,1021 12.699,1022 2.275,1023 8.173,1024 10.078,1025 0.432,1026 15.315,1027 7.88,1028 11.865,1029 0.859,1030 14.5,1031 2.036,1032 9.016,1033 11.284,1034 0.346,1035 17.512,1036 8.641,1037 13.32,1038 0.623,1039 16.321,1040 1.886,1041 10.274,1042 12.898,1043 0.291,1044 19.958,1045 9.867,1046 3.217,1047 -0.096,1048 18.159,1049 1.505,1050 11.282,1051 14.262,1052 0.237,1053 22.274,1054 10.802,1055 3.139,1056 11.045,1057 20.008,1058 -0.256,1059 12.466,1060 15.806,1061 0.195,1062 24.683,1063 11.945,1064 2.683,1065 10.856,1066 21.868,1067 4.489,1068 13.551,1069 17.241,1070 0.158,1071 27.046,1072 12.962,1073 2.604,1074 8.005,1075 23.736,1076 4.474,1077 14.709,1078 18.758,1079 0.129,1080 29.443,1081 14.073,1082 2.365,1083 7.653,1084 25.61,1085 3.642,1086 15.829,1087 20.226,1088 0.104,1089 31.824,1090 15.131,1091 2.056,1092 6.875,1093 27.49,1094 3.249,1095 16.98,1096 21.731,1097 0.084,1098 34.219,1099 16.23,1100 1.954,1101 5.801,1102 29.374,1103 2.737,1104 18.118,1105 23.215,1106 0.068,1107 36.607,1108 17.308,1109 15230,1110 23773,1111 23.345,1112 42.239,1113 51.585,1114 52.946,1115 53.151,1116 51.792,1117 51.704,1118 67.003,1119 3.2,1120 148.509,1121 49.707,1122 5.697,1123 6.459,1124 6.458,1125 5.213,1126 5.217,1127 7.489,1128 1.2,1129 18.22,1130 5.046,1131 15.815,1132 1.474,1133 1.513,1134 1.519,1135 1.48,1136 1.477,1137 1.914,1138 0.091,1139 4.243,1140 1.42,1141 4.101,1142 4.132,1143 4.723,1144 4.028,1145 7.716,1146 4.022,1147 4.033,1148 4.032,1149 4.051,1150 3.986,1151 6.999,1152 3.919,1153 3.862,1154 3.888,1155 3.845,1156 3.806,1157 4.983,1158 3.736,1159 3.765,1160 3.812,1161 3.667,1162 3.593,1163 4.742,1164 3.6,1165 3.518,1166 3.572,1167 3.413,1168 3.415,1169 4.44,1170 3.407,1171 3.407,1172 3.472,1173 3.24,1174 3.243,1175 4.285,1176 3.212,1177 3.323,1178 3.388,1179 3.182,1180 3.174,1181 4.079,1182 3.145,1183 3.111,1184 3.206,1185 2.942,1186 2.952,1187 3.98,1188 2.938,1189 0.134,1190 0.127,1191 0.193,1192 0.118,1193 0.092,1194 4.697,1195 0.128,1196 4.459,1197 0.023,1198 6.741,1199 0.316,1200 4.146,1201 0.087,1202 3.217,1203 4.489,1204 0.8,1205 11.045,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.948,1214 1.93,1215 2.052,1216 2.049,1217 1.278,1218 2.074,1219 1.778,1220 1.773,1221 1.936,1222 1.959,1223 1.229,1224 1.981,1225 1.725,1226 1.665,1227 1.9,1228 1.871,1229 1.142,1230 1.91,1231 1.522,1232 1.474,1233 1.733,1234 1.668,1235 0.878,1236 1.693,1237 1.38,1238 1.321,1239 1.627,1240 1.585,1241 0.825,1242 1.628,1243 1.3,1244 1.25,1245 1.513,1246 1.501,1247 0.803,1248 1.544,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.687,1254 1.429,1255 4.263,1257 5.587,1259 7.104,1261 8.708,1263 10.356,1265 3.897,1271 6.63,1272 2.686,1276 4.941,1280 39.077,1281 97.904,1282 213.224,1283 296.742,1284 340.49,1285 344.49,1286 344.49,1287 59.555,1288 8.027,1289 65.54,1290 73.92,1291 24,1292 12.603,1293 4.322,1294 3.524,1295 52.312,1296 165,1297 158,1298 0.154,1299 243.887,1300 417.89,1301 586.844,1302 39806,1304 22.554,1305 0.705,1306 0.617,1307 22.804,1308 19.736,1309 15.432,1310 0.441,1311 0.372,1312 11.391,1313 14.216,1314 10.914,1315 9.07,1316 16.285,1317 13.017,1318 14.312,1319 0.292,1320 0.211,1321 15.621,1322 10.338,1323 11.105,1324 0.182,1325 0.122,1326 11.989,1327 7.443,1328 9.62,1329 0.12,1330 0.068,1331 10.492,1332 5.431,1333 7.559,1334 0.076,1335 0.035,1336 8.028,1337 3.527,1338 0.251,1339 104.103,1340 0.207,1341 30.561,1342 0.397,1343 168,1344 429.6,1345 214.118,1346 442.057,1347 605.98,1348 410,1349 194,1350 425.164,1351 248.44,1352 465.796,1353 673.35,1354 437,1355 9.2} {0 CHEMBL1632158,1 1.463,2 15.094,3 3.404,4 11.59,5 123.909,6 6.591,7 0.286,8 4.282,9 4.409,10 3.744,11 3.759,12 5.236,13 3.726,14 4.899,15 5.097,16 4.08,17 4.181,18 5.818,19 4.111,20 5.185,21 5.43,22 4.142,23 4.347,24 6.015,25 4.241,26 5.25,27 5.502,28 4.107,29 4.344,30 6.156,31 4.22,32 5.205,33 5.471,34 4.012,35 4.266,36 6.063,37 4.139,38 5.144,39 5.396,40 3.878,41 4.202,42 6.051,43 4.069,44 5.089,45 5.359,46 3.762,47 4.154,48 5.888,49 3.987,50 5.033,51 5.314,52 3.783,53 4.114,54 5.715,55 3.96,56 0.028,57 0.952,58 16.04,59 6.437,60 6.992,61 9.055,62 0.468,63 1.56,64 31.222,65 10.59,66 36.117,67 15.588,68 0.376,69 1.909,70 41.607,71 14.03,72 39.215,73 20.88,74 0.709,75 1.949,76 45.132,77 14.552,78 70.034,79 21.702,80 0.476,81 1.819,82 42.971,83 13.858,84 51.743,85 20.712,86 0.565,87 1.691,88 40.806,89 12.81,90 68.724,91 18.937,92 0.588,93 1.6,94 38.245,95 12.839,96 58.325,97 19.077,98 0.305,99 1.541,100 35.626,101 12.264,102 28.466,103 18.438,104 17,105 47,106 0.234,107 0.505,108 0.726,109 0.848,110 0.866,111 0.866,112 3.501,113 1.027,114 -4.07,115 -4.02,116 -3.8,119 37.3,121 7,122 1,124 1,125 6,140 4,141 2,150 1,151 1,156 2,169 10,171 2,172 12,174 1,176 2,178 8,182 8,186 3,189 5,192 2,193 8,195 2,197 1,199 7,203 9,206 1,208 2,211 8,215 4,220 2,222 7,225 3,226 5,231 1,233 7,237 1,242 1,244 7,248 2,249 6,254 1,256 5,259 1896,260 22.112,261 22.112,262 22.112,263 22.112,264 22.112,265 20.688,266 26.557,267 13.393,268 22.638,269 17.236,270 17.236,271 17.236,272 17.236,273 17.236,274 14.835,275 26.259,276 6.309,277 17.937,278 4.603,279 2.9,280 1.519,281 0.75,282 0.638,283 0.638,284 4.202,288 1,289 1,290 1048,291 4.183,294 69.845,295 269.638,298 249.739,302 2.588,303 30.609,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 69.5,315 483,316 4.792,317 3.693,318 7.137,319 4.346,320 3.383,321 4.745,322 2.443,323 12.474,324 3.265,325 3.844,326 3.672,327 6.007,328 3.633,329 2.669,330 3.238,331 1.058,332 8.284,333 2.579,334 3.653,335 3.222,336 5.71,337 3.453,338 2.475,339 3.016,340 0.86,341 7.386,342 2.414,343 3.638,344 2.878,345 5.493,346 3.331,347 2.347,348 2.811,349 0.8,350 7.367,351 2.286,352 3.628,353 2.525,354 5.138,355 3.222,356 2.278,357 2.657,358 0.286,359 6.389,360 2.138,361 3.232,362 2.351,363 4.988,364 3.154,365 2.197,366 2.288,368 5.891,369 2.088,370 3.028,371 2.07,372 4.731,373 2.63,374 1.66,375 2.115,377 4.703,378 1.603,379 2.872,380 1.706,381 3.85,382 2.561,383 1.578,384 2.034,386 3.274,387 1.542,388 2.617,389 1.702,390 3.722,391 2.447,392 1.476,393 1.612,395 3.126,396 1.427,397 2.503,398 1.461,399 3.685,400 2.296,401 1.317,402 1.499,404 3.032,405 1.285,406 2.273,407 1.399,408 3.541,409 1.984,410 1,411 1.222,413 2.449,414 0.983,415 2,416 1.235,417 3.431,418 1.938,419 1,420 1,422 2.275,423 0.931,424 1.939,425 1.197,426 3.414,427 1.872,428 0.904,429 0.919,431 1.947,432 0.869,433 1.798,434 1.077,435 3.135,436 1.644,437 0.698,438 0.746,440 1.616,441 0.656,442 1.651,443 1.041,444 2.919,445 1.341,446 0.372,447 0.436,449 0.817,450 0.352,451 15.033,452 0.47,453 0.589,454 0.018,455 32.5,456 1.016,457 11.5,458 0.359,459 21,460 0.656,461 34.142,462 1.067,463 37.167,464 0.555,465 23.661,466 0.739,467 5.975,468 0.187,469 9.694,470 0.303,471 0.078,473 0.286,479 0.765,480 1.547,481 0.887,482 1.319,483 0.524,484 1.146,485 0.898,486 1.147,487 1.005,488 1.046,489 0.537,490 1.033,491 0.912,492 1.096,493 0.939,494 1.027,495 0.77,496 0.987,497 0.948,498 1.008,499 1.013,500 1.002,501 1.062,502 1.013,503 0.992,504 0.991,505 0.956,506 0.986,507 0.994,508 0.964,509 1.349,510 0.998,511 1.172,512 0.997,513 1.648,514 1.048,515 0.873,516 0.948,517 1.041,518 0.99,519 1.128,520 1.039,521 0.673,522 1.009,523 0.857,524 0.995,525 0.445,526 0.958,527 4.5,528 0.185,529 3.111,530 2.361,531 1.387,532 0.726,533 0.463,534 0.424,535 0.219,536 0.156,537 16431,538 38660,539 2.101,540 52.2,541 4,542 19,545 1,546 2,547 7,548 2,550 1.737,551 2,552 3.776,553 -0.372,559 98.052,560 1.463,561 3.166,562 4.547,563 5.316,564 5.428,565 5.428,566 3.207,567 4.289,568 4.964,569 4.044,570 2005.91,571 8.646,572 31574.9,577 406.428,578 1.259,579 4.947,580 0.129,581 0.008,582 0.066,583 0.048,584 0.031,585 0.018,586 0.013,587 0.014,588 0.007,589 0.005,590 0.338,591 0.33,592 1,593 1.57,594 173.011,595 -0.005,596 -0.229,597 0.071,598 -0.1,599 0.025,600 -0.017,601 0.072,602 0.025,603 -0.012,604 0.017,605 0.092,606 -0.006,607 -0.05,608 -0.048,609 0.033,610 -0.009,611 0.005,612 0.022,613 0.048,614 0.007,615 -0.023,616 -0.02,617 0.012,618 -0.032,619 -0.043,620 -0.008,621 0.026,622 -0.016,623 -0.011,624 0.014,625 -0.195,626 -0.013,627 -0.163,628 -0.028,629 -0.186,630 -0.082,631 0.013,632 0.017,633 -0.072,634 -0.008,635 -0.086,636 -0.052,637 0.02,638 -0.044,639 0.086,640 -0.003,641 0.031,642 0.046,643 1.784,644 6.124,645 0.594,646 41.734,647 0.996,648 1.134,649 2.841,650 8.07,651 0.627,652 3.584,653 3.871,654 4.159,655 4.443,656 4.7,657 4.762,658 4.883,659 4.997,660 4.963,661 5.03,662 8.774,663 0.587,664 441.63,665 3.584,666 5.106,667 5.953,668 6.825,669 7.701,670 8.59,671 9.481,672 10.381,673 11.283,674 12.191,675 4.5,678 1,682 1,683 1,687 2,688 4,693 2,694 1,695 10,702 1,712 1,714 67,716 12,717 1,718 35,720 70,721 25,722 8,723 2,724 4,725 1,730 4,731 7,740 3,741 1,743 7,745 10,746 15,747 1,750 2,755 2,759 2,764 35,765 6,766 1,767 7,773 3,777 0.5,778 4,788 1,792 1,793 3,796 2,808 1,815 1,819 2,823 1,827 32,833 13,834 1,835 2,837 1,838 1,847 6,850 2,852 2,854 16,855 11.983,856 7.25,857 4.479,858 2.141,859 1.268,860 0.959,861 8.227,862 10.133,863 3.761,864 4.266,865 4.831,866 5.436,867 5.96,868 6.286,869 6.639,870 6.961,871 6.904,872 7.079,873 0.9,874 49,875 11.954,877 5.042,878 7.635,879 23.535,881 19.722,883 2.135,884 68.333,888 400.217,889 106.264,890 23.034,892 72.29,895 106.264,896 472.507,897 23.034,898 10.883,899 50.873,900 37.905,901 62.186,902 37.596,903 2.144,904 400.217,906 400.217,907 129.298,908 72.29,911 294.278,912 178.23,915 60.711,916 68.587,919 400.217,920 95.324,921 106.264,924 400.217,925 57.476,926 53.811,927 18.011,928 72.29,929 400.217,930 95.324,931 106.264,933 0.566,934 0.333,935 0.181,936 0.103,937 21,938 9,939 0.143,940 10,941 2,942 1.211,943 4.49,944 278.778,945 0.211,946 19,947 156,951 23.281,952 11.308,953 5.739,954 2.052,955 93.425,956 8.077,961 1.404,962 2.136,963 18.011,964 601.805,965 42,970 24.285,974 -0.141,975 66.752,976 75.976,977 0.241,978 0.522,979 0.75,980 0.876,981 0.895,982 0.895,983 5.001,984 1.578,985 5.911,986 4.703,987 4.554,988 4.952,989 2.755,990 6.715,991 4.48,992 6.152,993 1.476,994 7.458,995 3.274,996 4.007,997 4.771,998 2.283,999 7.656,1000 3.906,1001 7.442,1002 1.317,1003 9.114,1004 3.126,1005 6.12,1006 7.1,1007 3.925,1008 10.818,1009 5.975,1010 8.774,1011 1,1012 10.842,1013 3.032,1014 6.479,1015 7.897,1016 4.273,1017 12.72,1018 6.302,1019 10.153,1020 1,1021 12.62,1022 2.449,1023 8.014,1024 9.716,1025 5.502,1026 15.426,1027 7.8,1028 11.567,1029 0.904,1030 14.434,1031 2.275,1032 8.821,1033 10.963,1034 6.159,1035 17.72,1036 8.573,1037 13.01,1038 0.698,1039 16.276,1040 1.947,1041 10.133,1042 12.608,1043 7.211,1044 20.295,1045 9.85,1046 3.383,1047 0.372,1048 18.14,1049 1.616,1050 11.162,1051 14.046,1052 7.992,1053 22.738,1054 10.844,1055 2.669,1056 12.474,1057 20.023,1058 0.817,1059 12.395,1060 15.632,1061 8.964,1062 25.276,1063 12.042,1064 2.475,1065 8.284,1066 21.921,1067 4.745,1068 13.527,1069 17.144,1070 9.802,1071 27.771,1072 13.139,1073 2.347,1074 7.386,1075 23.831,1076 3.238,1077 14.739,1078 18.711,1079 10.734,1080 30.299,1081 14.316,1082 2.278,1083 7.367,1084 25.751,1085 3.016,1086 15.917,1087 20.25,1088 11.599,1089 32.812,1090 15.458,1091 2.197,1092 6.389,1093 27.679,1094 2.811,1095 17.127,1096 21.81,1097 12.512,1098 35.336,1099 16.632,1100 1.66,1101 5.891,1102 29.614,1103 2.657,1104 18.326,1105 23.361,1106 13.391,1107 37.856,1108 17.795,1109 15726,1110 24225,1111 23.75,1112 42.017,1113 51.48,1114 53.765,1115 53.23,1116 51.189,1117 51.243,1118 61.274,1119 10.894,1120 142.907,1121 49.329,1122 5.792,1123 5.693,1124 6.912,1125 5.455,1126 5.383,1127 7.745,1128 4.174,1129 19.934,1130 5.265,1131 13.8,1132 1.471,1133 1.536,1134 1.521,1135 1.463,1136 1.464,1137 1.751,1138 0.311,1139 4.083,1140 1.409,1141 4.167,1142 4.195,1143 4.137,1144 4.066,1145 7.433,1146 4.079,1147 3.904,1148 3.969,1149 3.778,1150 3.758,1151 7.428,1152 3.753,1153 3.737,1154 3.787,1155 3.612,1156 3.591,1157 4.955,1158 3.582,1159 3.635,1160 3.685,1161 3.519,1162 3.488,1163 4.535,1164 3.488,1165 3.545,1166 3.598,1167 3.445,1168 3.323,1169 4.503,1170 3.341,1171 3.443,1172 3.484,1173 3.325,1174 3.251,1175 4.369,1176 3.26,1177 3.251,1178 3.318,1179 3.093,1180 3.038,1181 4.108,1182 3.045,1183 3.142,1184 3.227,1185 2.97,1186 2.941,1187 3.973,1188 2.914,1189 0.137,1190 0.106,1191 0.204,1192 0.124,1193 0.097,1194 4.792,1195 0.136,1196 3.693,1197 0.07,1198 7.137,1199 0.356,1200 4.346,1201 0.093,1202 3.383,1203 4.745,1204 2.443,1205 12.474,1206 3.265,1207 1.944,1208 1.92,1209 2.085,1210 2.057,1211 1.467,1212 2.07,1213 1.875,1214 1.815,1215 2.039,1216 2.045,1217 1.326,1218 2.043,1219 1.749,1220 1.706,1221 1.973,1222 1.939,1223 1.262,1224 1.939,1225 1.722,1226 1.67,1227 1.916,1228 1.898,1229 1.13,1230 1.914,1231 1.472,1232 1.418,1233 1.714,1234 1.725,1235 0.996,1236 1.719,1237 1.382,1238 1.34,1239 1.603,1240 1.629,1241 0.825,1242 1.622,1243 1.218,1244 1.149,1245 1.544,1246 1.478,1247 0.793,1248 1.504,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.643,1254 1.429,1255 4.263,1257 5.557,1258 2.398,1259 7.054,1260 4.949,1261 8.648,1262 7.248,1263 10.301,1265 1.442,1271 12.274,1272 3.193,1273 10.594,1275 0.514,1276 2.502,1280 39.352,1281 98.052,1282 212.102,1283 304.679,1284 356.163,1285 363.673,1286 363.673,1287 63.357,1288 7.993,1289 72.8,1290 72.8,1291 23,1292 12.709,1293 3.7,1294 3,1295 52.466,1296 169,1297 198,1298 0.149,1299 239.809,1300 422.14,1301 576.894,1302 38352,1304 22.338,1305 0.698,1306 0.597,1307 22.338,1308 19.107,1309 15.669,1310 0.448,1311 0.342,1312 11.804,1313 14.984,1314 11.582,1315 9.552,1316 15.669,1317 11.985,1318 13.394,1319 0.285,1320 0.19,1321 13.394,1322 8.933,1323 11.448,1324 0.182,1325 0.107,1326 11.448,1327 6.756,1328 9.363,1329 0.111,1330 0.058,1331 9.363,1332 4.886,1333 7.971,1334 0.073,1335 0.034,1336 7.971,1337 3.663,1338 0.246,1339 98.796,1340 0.205,1341 30.816,1342 0.381,1343 164,1344 460.565,1345 181.621,1346 428.396,1347 580.32,1348 404,1349 192,1350 415.597,1351 209.794,1352 414.867,1353 612.55,1354 391,1355 5.5} {0 CHEMBL1632174,1 1.48,2 14.323,3 3.153,4 9.944,5 119.14,6 6.681,7 0.294,8 4.241,9 4.367,10 3.709,11 3.725,12 5.221,13 3.694,14 4.85,15 5.043,16 4.058,17 4.156,18 5.836,19 4.086,20 5.169,21 5.416,22 4.104,23 4.32,24 6.003,25 4.211,26 5.214,27 5.472,28 4.079,29 4.307,30 6.112,31 4.183,32 5.158,33 5.42,34 3.987,35 4.222,36 6.05,37 4.101,38 5.095,39 5.341,40 3.849,41 4.154,42 6.038,43 4.028,44 5.037,45 5.303,46 3.73,47 4.104,48 5.877,49 3.943,50 4.977,51 5.255,52 3.748,53 4.066,54 5.692,55 3.918,56 0.037,57 0.918,58 15.171,59 6.126,60 8.225,61 8.561,62 0.397,63 1.519,64 29.243,65 10.233,66 46.908,67 15.034,68 0.392,69 1.869,70 40.965,71 13.723,72 46.996,73 20.42,74 0.659,75 1.888,76 43.456,77 14.085,78 68.02,79 21.099,80 0.464,81 1.742,82 41.126,83 13.159,84 58.18,85 19.61,86 0.557,87 1.614,88 38.936,89 12.105,90 77.039,91 17.806,92 0.579,93 1.523,94 36.435,95 12.131,96 65.905,97 17.981,98 0.302,99 1.462,100 33.829,101 11.604,102 32.075,103 17.376,104 16,105 46,106 0.238,107 0.53,108 0.722,109 0.852,110 0.871,111 0.871,112 3.471,113 1.023,114 -3.86,115 -3.82,116 -3.63,119 37.5,121 7,122 1,125 6,140 4,141 2,150 1,151 1,156 2,165 1,168 1,169 10,170 1,171 1,172 11,174 2,176 3,178 8,179 1,182 7,186 4,189 5,190 1,192 2,193 7,195 2,197 2,199 7,200 1,203 8,206 1,208 3,211 8,215 4,216 1,220 2,222 7,225 2,226 5,229 1,231 1,233 7,237 1,242 1,244 7,245 2,248 2,249 4,254 3,256 5,257 1,259 1734,260 21.242,261 21.242,262 21.242,263 21.242,264 21.242,265 19.765,266 25.545,267 12.924,268 21.617,269 16.825,270 16.825,271 16.825,272 16.825,273 16.825,274 14.429,275 25.806,276 6.177,277 17.42,278 4.52,279 2.711,280 1.516,281 0.711,282 0.594,283 0.594,284 4.171,288 1,289 1,290 965,291 4.062,294 66.115,295 256.313,298 236.735,302 2.485,303 32.204,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 67.5,315 444,316 4.792,317 3.693,318 7.137,319 4.346,320 3.383,321 4.745,322 2.341,323 12.474,324 3.265,325 3.844,326 3.596,327 6.007,328 3.633,329 2.669,330 3.238,331 1.058,332 8.284,333 2.579,334 3.651,335 3.222,336 5.71,337 3.453,338 2.475,339 3.016,340 0.86,341 7.386,342 2.414,343 3.629,344 2.878,345 5.493,346 3.244,347 2.278,348 2.711,349 0.8,350 7.367,351 2.225,352 3.549,353 2.525,354 5.138,355 3.222,356 2.243,357 2.656,359 6.389,360 2.138,361 3.231,362 2.351,363 4.731,364 3.149,365 2.187,366 2.288,368 5.182,369 2.085,370 3.028,371 2.07,372 4.658,373 2.626,374 1.657,375 2.114,377 4.703,378 1.598,379 2.872,380 1.704,381 3.85,382 2.54,383 1.55,384 2.034,386 3.209,387 1.527,388 2.606,389 1.701,390 3.72,391 2.447,392 1.475,393 1.597,395 3.124,396 1.427,397 2.503,398 1.399,399 3.644,400 2.296,401 1.317,402 1.499,404 3.032,405 1.285,406 2.273,407 1.236,408 3.541,409 1.984,410 1,411 1.222,413 2.449,414 0.983,415 2,416 1.197,417 3.428,418 1.937,419 1,420 1,422 2.275,423 0.93,424 1.923,425 1.077,426 3.414,427 1.835,428 0.852,429 0.886,431 1.898,432 0.832,433 1.79,434 1.053,435 3.063,436 1.628,437 0.671,438 0.723,440 1.545,441 0.639,442 1.643,443 0.739,444 2.86,445 1.328,446 0.333,447 0.409,449 0.785,450 0.327,451 14.533,452 0.469,453 0.627,454 0.02,455 31.75,456 1.024,457 11.5,458 0.371,459 20.25,460 0.653,461 32.659,462 1.054,463 35.867,464 0.56,465 22.883,466 0.738,467 5.748,468 0.185,469 9.383,470 0.303,471 0.069,473 0.296,479 0.794,480 1.49,481 0.889,482 1.254,483 0.613,484 1.108,485 0.727,486 1.21,487 0.985,488 1.114,489 0.416,490 1.083,491 0.904,492 1.075,493 0.946,494 1.01,495 0.748,496 0.983,497 0.816,498 0.992,499 0.952,500 0.986,501 0.778,502 0.986,503 1.002,504 0.991,505 0.961,506 0.987,507 0.936,508 0.965,509 1.369,510 0.999,511 1.187,512 0.998,513 1.502,514 1.053,515 0.886,516 0.946,517 1.05,518 0.99,519 1.062,520 1.045,521 0.69,522 0.975,523 0.861,524 0.978,525 0.448,526 0.948,527 4.5,528 0.177,529 2.889,530 2.361,531 1.387,532 0.726,533 0.463,534 0.424,535 0.219,536 0.156,537 14836,538 36319,539 2.104,540 51.6,541 4,542 16,545 2,546 2,547 7,548 2,550 1.73,551 2,552 3.707,553 0.193,555 1,559 94.741,560 1.48,561 3.289,562 4.484,563 5.289,564 5.406,565 5.406,566 3.229,567 4.091,568 4.918,569 3.982,570 1851.79,571 8.557,572 28110.8,574 1,577 384,578 1.277,579 4.899,580 0.132,581 0.008,582 0.063,583 0.05,584 0.032,585 0.018,586 0.014,587 0.014,588 0.007,589 0.006,590 0.344,591 0.33,592 1,593 1.445,594 165.292,595 -0.039,596 -0.178,597 0.053,598 -0.045,599 -0.008,600 0.008,601 0.107,602 -0.019,603 -0.02,604 -0.037,605 0.161,606 -0.046,607 -0.06,608 -0.039,609 0.02,611 -0.024,612 0.021,613 0.083,614 0.015,615 0.024,616 -0.007,617 0.038,618 -0.002,619 -0.05,620 -0.008,621 0.023,622 -0.017,623 -0.023,624 0.012,625 -0.208,626 -0.014,627 -0.178,628 -0.031,629 -0.181,630 -0.09,631 0.008,632 0.018,633 -0.081,634 -0.009,635 -0.082,636 -0.057,637 0.01,638 -0.01,639 0.083,640 0.014,641 0.03,642 0.057,643 2.372,644 6.093,645 0.613,646 38.957,647 0.998,648 1.134,649 2.633,650 6.933,651 0.629,652 3.555,653 3.85,654 4.127,655 4.431,656 4.691,657 4.754,658 4.875,659 4.99,660 4.949,661 5.017,662 8.404,663 0.591,664 427.6,665 3.555,666 5.081,667 5.927,668 6.804,669 7.679,670 8.571,671 9.464,672 10.366,673 11.269,674 12.179,675 4.7,678 1,682 1,683 1,687 2,688 4,693 2,694 1,695 10,702 1,712 1,714 64,716 12,717 1,718 34,720 67,721 24,722 8,723 2,724 4,725 1,730 4,731 7,740 3,741 1,743 7,745 10,746 14,747 1,750 2,755 2,759 2,764 33,765 6,766 2,767 7,773 3,777 0.5,778 4,788 1,792 1,793 3,796 2,807 1,815 1,817 1,819 2,827 31,832 1,833 13,834 1,835 1,837 1,838 1,847 6.3,849 1,850 2,852 1,854 15.5,855 11.017,856 6.917,857 4.321,858 2.148,859 1.271,860 0.953,861 7.647,862 10.084,863 3.738,864 4.252,865 4.807,866 5.432,867 5.958,868 6.284,869 6.638,870 6.96,871 6.902,872 7.078,873 1,874 47,875 11.583,877 4.951,878 7.72,879 22.702,881 19.246,883 2.22,884 68.833,888 364.904,889 89.099,890 23.034,892 103.973,895 89.099,896 468.877,897 23.034,899 50.873,900 37.905,901 98.588,902 26.596,903 2.144,904 364.904,906 364.904,907 112.134,908 103.973,911 258.964,912 209.913,915 60.711,916 51.422,919 364.904,920 127.007,921 89.099,924 364.904,925 51.194,926 42.928,927 18.011,928 103.973,929 364.904,930 127.007,931 89.099,933 0.568,934 0.323,935 0.182,936 0.105,937 21,938 9,939 0.134,940 9,941 2,942 1.211,943 4.39,944 269.115,945 0.211,946 19,947 149.58,951 22.316,952 10.623,953 5.488,954 2.036,955 125.108,956 8.046,961 1.386,962 2.128,963 60.694,964 581.011,965 41,970 23.664,974 -0.74,975 63.869,976 72.561,977 0.247,978 0.548,979 0.747,980 0.881,981 0.901,982 0.901,983 4.98,984 1.55,985 5.889,986 4.703,987 4.533,988 4.938,989 2.656,990 6.696,991 4.465,992 6.137,993 1.475,994 7.435,995 3.209,996 4.007,997 4.771,998 2.283,999 7.639,1000 3.906,1001 7.428,1002 1.317,1003 9.093,1004 3.124,1005 6.098,1006 7.088,1007 3.731,1008 10.806,1009 5.961,1010 8.76,1011 1,1012 10.821,1013 3.032,1014 6.463,1015 7.889,1016 4.117,1017 12.712,1018 6.29,1019 10.14,1020 1,1021 12.601,1022 2.449,1023 7.995,1024 9.709,1025 5.223,1026 15.42,1027 7.788,1028 11.553,1029 0.852,1030 14.417,1031 2.275,1032 8.807,1033 10.958,1034 5.89,1035 17.718,1036 8.563,1037 12.997,1038 0.671,1039 16.261,1040 1.898,1041 10.119,1042 12.605,1043 6.853,1044 20.294,1045 9.841,1046 3.383,1047 0.333,1048 18.128,1049 1.545,1050 11.152,1051 14.043,1052 7.625,1053 22.738,1054 10.837,1055 2.669,1056 12.474,1057 20.013,1058 0.785,1059 12.386,1060 15.631,1061 8.526,1062 25.276,1063 12.036,1064 2.475,1065 8.284,1066 21.913,1067 4.745,1068 13.521,1069 17.143,1070 9.342,1071 27.771,1072 13.134,1073 2.278,1074 7.386,1075 23.825,1076 3.238,1077 14.734,1078 18.71,1079 10.216,1080 30.298,1081 14.312,1082 2.243,1083 7.367,1084 25.746,1085 3.016,1086 15.914,1087 20.25,1088 11.051,1089 32.812,1090 15.455,1091 2.187,1092 6.389,1093 27.676,1094 2.711,1095 17.124,1096 21.81,1097 11.912,1098 35.336,1099 16.63,1100 1.657,1101 5.182,1102 29.612,1103 2.656,1104 18.324,1105 23.36,1106 12.755,1107 37.856,1108 17.794,1109 14186,1110 22290,1111 23.057,1112 40.256,1113 50.493,1114 52.15,1115 51.613,1116 50.219,1117 50.184,1118 60.276,1119 10.118,1120 140.207,1121 48.506,1122 5.792,1123 5.693,1124 6.91,1125 5.455,1126 5.383,1127 7.745,1128 3.925,1129 19.934,1130 5.265,1131 13.51,1132 1.485,1133 1.534,1134 1.518,1135 1.477,1136 1.476,1137 1.773,1138 0.298,1139 4.124,1140 1.427,1141 4.167,1142 4.195,1143 4.137,1144 4.066,1145 7.474,1146 4.079,1147 3.903,1148 3.968,1149 3.777,1150 3.758,1151 7.429,1152 3.753,1153 3.729,1154 3.782,1155 3.596,1156 3.588,1157 6.351,1158 3.577,1159 3.635,1160 3.685,1161 3.519,1162 3.488,1163 4.954,1164 3.488,1165 3.533,1166 3.589,1167 3.438,1168 3.317,1169 4.535,1170 3.333,1171 3.418,1172 3.458,1173 3.302,1174 3.239,1175 4.371,1176 3.244,1177 3.214,1178 3.277,1179 3.072,1180 3.016,1181 4.111,1182 3.022,1183 3.111,1184 3.206,1185 2.947,1186 2.941,1187 3.976,1188 2.91,1189 0.141,1190 0.109,1191 0.21,1192 0.128,1193 0.1,1194 4.792,1195 0.14,1196 3.693,1197 0.069,1198 7.137,1199 0.367,1200 4.346,1201 0.096,1202 3.383,1203 4.745,1204 2.341,1205 12.474,1206 3.265,1207 1.944,1208 1.92,1209 2.085,1210 2.057,1211 1.467,1212 2.07,1213 1.875,1214 1.815,1215 2.039,1216 2.045,1217 1.325,1218 2.043,1219 1.748,1220 1.706,1221 1.972,1222 1.939,1223 1.262,1224 1.938,1225 1.721,1226 1.667,1227 1.916,1228 1.893,1229 1.13,1230 1.912,1231 1.464,1232 1.406,1233 1.703,1234 1.71,1235 0.992,1236 1.706,1237 1.37,1238 1.327,1239 1.577,1240 1.597,1241 0.825,1242 1.593,1243 1.175,1244 1.107,1245 1.513,1246 1.4,1247 0.791,1248 1.429,1249 1.153,1250 1.064,1251 1.405,1252 1.376,1253 0.642,1254 1.404,1255 4.234,1257 5.533,1258 2.398,1259 7.031,1260 4.949,1261 8.627,1262 7.248,1263 10.283,1270 8.703,1271 11.577,1272 3.176,1273 5.897,1275 0.498,1276 2.463,1280 37.825,1281 94.741,1282 210.499,1283 287.006,1284 338.49,1285 346,1286 346,1287 63.202,1288 7.936,1289 83.8,1290 83.8,1291 23,1292 12.697,1293 3.7,1294 3,1295 49.963,1296 156,1297 180,1298 0.154,1299 230.217,1300 404.84,1301 553.488,1302 35241,1304 21.631,1305 0.698,1306 0.585,1307 21.631,1308 18.146,1309 15.131,1310 0.445,1311 0.341,1312 11.442,1313 14.524,1314 11.273,1315 9.265,1316 15.131,1317 11.596,1318 13.275,1319 0.289,1320 0.19,1321 13.275,1322 8.75,1323 10.836,1324 0.178,1325 0.107,1326 10.836,1327 6.539,1328 9.219,1329 0.111,1330 0.058,1331 9.219,1332 4.791,1333 7.869,1334 0.073,1335 0.033,1336 7.869,1337 3.595,1338 0.253,1339 95.03,1340 0.208,1341 29.92,1342 0.396,1343 160,1344 444.979,1345 176.846,1346 418.417,1347 563.6,1348 392,1349 187,1350 404.082,1351 203.465,1352 402.431,1353 594.77,1354 381,1355 5} {0 CHEMBL1632206,1 1.401,2 13.207,3 3.444,4 11.858,5 117.499,6 6.817,7 0.531,8 4.118,9 4.252,10 3.621,11 3.669,12 5.124,13 3.627,14 4.676,15 4.877,16 3.964,17 4.058,18 5.634,19 3.993,20 4.942,21 5.17,22 3.994,23 4.231,24 5.839,25 4.13,26 5.009,27 5.258,28 3.926,29 4.264,30 5.807,31 4.116,32 5.055,33 5.323,34 3.863,35 4.237,36 5.842,37 4.08,38 4.997,39 5.272,40 3.752,41 4.146,42 5.771,43 3.978,44 4.884,45 5.164,46 3.571,47 3.994,48 5.643,49 3.82,50 4.737,51 5.024,52 3.44,53 3.847,54 5.476,55 3.673,56 0.049,57 0.843,58 12.781,59 5.191,60 7.793,61 7.382,62 0.221,63 1.385,64 23.713,65 8.313,66 23.605,67 12.349,68 0.352,69 1.716,70 31.804,71 10.787,72 37.22,73 15.891,74 0.21,75 1.751,76 33.612,77 13.341,78 28.864,79 19.369,80 0.268,81 1.771,82 35.916,83 13.404,84 36.674,85 19.682,86 0.274,87 1.668,88 34.035,89 12.507,90 34.529,91 18.492,92 0.293,93 1.471,94 30.701,95 10.825,96 34.596,97 16.078,98 0.271,99 1.258,100 26.533,101 9.416,102 28.083,103 14.076,104 12,105 44,106 0.229,107 0.53,108 0.703,109 0.846,110 0.857,111 0.857,112 3.407,113 0.964,114 -3.94,115 -3.9,116 -3.7,119 42.1,120 2,121 1,125 5,140 9,141 2,142 2,144 2,156 1,169 9,172 8,174 1,176 3,178 11,181 1,182 5,186 2,189 7,192 1,193 7,197 2,199 8,203 6,211 4,215 7,218 1,222 3,225 1,226 4,233 2,236 1,237 2,244 4,249 3,252 1,256 8,259 1302,260 19.67,261 19.67,262 19.67,263 19.67,264 19.67,265 17.453,266 24.759,267 11.726,268 19.982,269 15.841,270 15.841,271 15.841,272 15.841,273 15.841,274 12.526,275 34.229,276 5.616,277 16.346,278 4.432,279 2.592,280 1.531,281 0.658,282 0.588,283 0.588,284 4.108,288 1,289 1,290 832,291 3.162,295 354.18,299 136.471,302 2.062,303 16.476,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61,315 383,316 4.551,317 3.533,318 6.695,319 4.108,320 3.139,321 4.474,322 1.907,323 10.856,324 3.046,325 4.092,326 3.28,327 5.808,328 3.718,329 2.737,330 3.683,331 0.8,332 8.008,333 2.688,334 3.856,335 2.917,336 5.637,337 3.577,338 2.637,339 3.249,340 0.8,341 7.853,342 2.47,343 3.607,344 2.787,345 5.334,346 3.343,347 2.393,348 2.821,349 0.149,350 6.916,351 2.287,352 3.511,353 2.621,354 5.067,355 3.218,356 2.232,357 2.732,359 6.185,360 2.177,361 3.336,362 2.272,363 4.958,364 2.999,365 2.035,366 2.5,368 5.725,369 1.957,370 3.184,371 2.204,372 4.559,373 2.802,374 1.789,375 2.365,377 4.504,378 1.8,379 3.026,380 1.651,381 4.368,382 2.573,383 1.595,384 2.24,386 4.411,387 1.558,388 2.775,389 1.476,390 4.036,391 2.398,392 1.417,393 1.845,395 3.465,396 1.385,397 2.667,398 1.279,399 3.497,400 2.2,401 1.203,402 1.738,404 2.64,405 1.199,406 2.257,407 1.146,408 3.414,409 1.967,410 1,411 1.168,413 2.275,414 0.965,415 2,416 0.912,417 3.372,418 1.839,419 0.859,420 1,422 2.036,423 0.84,424 1.766,425 0.734,426 3.186,427 1.601,428 0.623,429 0.698,431 1.505,432 0.608,433 1.184,434 0.6,435 2.633,436 0.83,437 -0.148,438 -0.18,440 -0.372,441 -0.144,442 1.152,443 0.028,444 2.522,445 0.794,446 -0.182,447 -0.209,449 -0.459,450 -0.177,451 13.933,452 0.48,453 0.677,454 0.023,455 37.25,456 1.284,457 18.5,458 0.638,459 18.75,460 0.647,461 24.765,462 0.854,463 31.067,464 0.545,465 26.206,466 0.904,467 7.359,468 0.254,469 6.722,470 0.232,471 0.096,473 0.309,479 0.79,480 1.407,481 0.866,482 1.13,483 0.597,484 1.021,485 0.984,486 1.171,487 0.927,488 0.962,489 0.511,490 0.931,491 1.434,492 0.954,493 1.168,494 0.932,495 1.161,496 1.001,497 0.578,498 1.119,499 0.988,500 1.151,501 0.45,502 1.117,503 0.855,504 1.013,505 0.997,506 1.032,507 0.792,508 1.029,509 0.795,510 1.038,511 1.022,512 1.073,513 0.723,514 1.069,515 1.02,516 1.001,517 1.084,518 1.034,519 0.986,520 1.06,521 0.851,522 0.984,523 1.002,524 0.989,525 0.8,526 1.007,527 6,528 0.124,529 2.667,530 1.625,531 1.511,532 0.778,533 0.563,534 0.332,535 0.201,536 0.182,537 12234,538 28099,539 2.111,540 49.1,542 19,545 1,546 6,547 2,550 1.713,551 2,552 3.66,553 -0.405,555 1,559 79.83,560 1.401,561 3.241,562 4.302,563 5.175,564 5.245,565 5.245,566 3.083,567 4.582,568 4.829,569 3.852,570 1563.78,571 8.375,572 22210.7,574 1,576 1,577 332.475,578 1.314,579 4.8,580 0.188,581 0.006,582 0.061,583 0.037,584 0.038,585 0.021,586 0.018,587 0.013,588 0.009,589 0.008,590 0.397,591 0.5,592 1,593 0.841,594 150.49,595 0.013,596 -0.207,597 0.066,598 -0.06,599 -0.018,600 -0.004,601 0.033,602 -0.031,603 0.049,604 0.026,605 0.132,606 0.039,607 -0.231,608 0.139,609 -0.172,610 0.03,611 -0.152,612 -0.049,613 0.058,614 -0.134,615 -0.042,616 -0.131,617 0.076,618 -0.103,619 -0.038,620 -0.054,621 -0.028,622 -0.041,623 -0.027,624 -0.034,625 0.009,626 -0.08,627 -0.051,628 -0.094,629 -0.028,630 -0.081,631 -0.06,632 -0.046,633 -0.096,634 -0.074,635 -0.108,636 -0.088,637 0.042,638 -0.043,639 -0.018,640 -0.024,641 -0.02,642 -0.028,643 1.697,644 4.248,645 0.759,646 30.438,647 0.988,648 1.126,649 2.713,650 7.362,651 0.66,652 3.497,653 3.807,654 4.043,655 4.317,656 4.564,657 4.595,658 4.7,659 4.812,660 4.883,661 4.92,662 7.707,663 0.616,664 388.56,665 3.497,666 5.03,667 5.866,668 6.737,669 7.59,670 8.465,671 9.326,672 10.203,673 11.069,674 11.948,675 7,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 57,716 18,717 2,718 32,720 60,721 24,722 15,723 5,724 7,730 4,731 5,736 2,743 1,745 16,746 8,750 1,755 1,759 1,761 1,764 28,765 5,766 1,767 5,773 4,777 0.75,778 1,786 1,793 4,797 1,805 1,815 1,819 3,823 2,827 29,833 6,834 1,838 2,847 1.8,850 1,854 14.5,855 10.767,856 6.333,857 3.539,858 3.392,859 1.434,860 0.997,861 6.006,862 11.216,863 3.75,864 4.331,865 4.869,866 5.466,867 6.027,868 6.238,869 6.547,870 6.871,871 7.12,872 7.008,873 0.889,874 44,875 10.723,877 4.46,878 7.54,879 21.101,881 17.411,883 2.04,884 59.167,886 1,887 1,888 317.82,889 136.877,890 41.045,892 25.145,895 136.877,896 342.965,897 41.045,898 17.65,899 31.074,900 85.286,901 46.635,902 22.422,904 317.82,906 317.82,907 177.922,908 25.145,911 294.278,912 48.687,915 56.749,916 104.387,917 16.786,919 317.82,920 66.19,921 136.877,924 317.82,925 33.941,926 109.185,927 18.011,928 41.93,929 317.82,930 66.19,931 136.877,933 0.577,934 0.321,935 0.18,936 0.102,937 21,938 9,939 0.083,940 5,941 1,942 1.091,943 4.183,944 247.802,945 0.091,946 22,947 132.127,951 19.72,952 8.833,953 4.884,954 2.31,955 66.19,956 18.852,957 4.671,961 4.48,963 18.011,964 520.887,965 41.5,970 11.248,974 -0.03,975 56.338,976 64.185,977 0.24,978 0.556,979 0.738,980 0.887,981 0.899,982 0.899,983 4.978,984 1.595,985 5.838,986 4.504,987 4.489,988 5.017,989 2.194,990 6.611,991 4.427,992 6.166,993 1.417,994 7.367,995 4.411,996 4.007,997 4.783,998 1.738,999 7.424,1000 3.909,1001 7.458,1002 1.203,1003 8.993,1004 3.465,1005 6.043,1006 7.189,1007 2.953,1008 10.511,1009 5.912,1010 8.78,1011 1,1012 10.676,1013 2.64,1014 6.347,1015 7.78,1016 3.061,1017 12.186,1018 6.177,1019 10.134,1020 0.859,1021 12.4,1022 2.275,1023 7.857,1024 9.686,1025 4.047,1026 14.798,1027 7.66,1028 11.511,1029 0.623,1030 14.152,1031 2.036,1032 8.555,1033 10.71,1034 4.414,1035 16.866,1036 8.321,1037 12.908,1038 -0.148,1039 15.928,1040 1.505,1041 9.835,1042 12.39,1043 5.252,1044 19.319,1045 9.575,1046 3.139,1047 -0.182,1048 17.723,1049 -0.372,1050 10.739,1051 13.645,1052 5.75,1053 21.565,1054 10.446,1055 2.737,1056 10.856,1057 19.533,1058 -0.459,1059 11.917,1060 15.219,1061 6.502,1062 23.966,1063 11.599,1064 2.637,1065 8.008,1066 21.357,1067 4.474,1068 12.93,1069 16.595,1070 7.068,1071 26.289,1072 12.58,1073 2.393,1074 7.853,1075 23.192,1076 3.683,1077 14.067,1078 18.121,1079 7.771,1080 28.676,1081 13.692,1082 2.232,1083 6.916,1084 25.037,1085 3.249,1086 15.136,1087 19.556,1088 8.374,1089 31.032,1090 14.731,1091 2.035,1092 6.185,1093 26.89,1094 2.821,1095 16.261,1096 21.063,1097 9.051,1098 33.416,1099 15.829,1100 1.789,1101 5.725,1102 28.751,1103 2.732,1104 17.358,1105 22.528,1106 9.674,1107 35.787,1108 16.898,1109 11584,1110 17648,1111 21.671,1112 37.614,1113 47.54,1114 48.14,1115 48.358,1116 47.335,1117 47.321,1118 61.026,1119 7.312,1120 132.753,1121 45.959,1122 5.551,1123 5.533,1124 6.251,1125 5.176,1126 5.139,1127 7.474,1128 3.306,1129 18.031,1130 5.046,1131 12.975,1132 1.486,1133 1.504,1134 1.511,1135 1.479,1136 1.479,1137 1.907,1138 0.229,1139 4.149,1140 1.436,1141 4.094,1142 4.128,1143 4.052,1144 4.015,1145 7.43,1146 4.02,1147 3.95,1148 3.986,1149 3.884,1150 3.875,1151 4.983,1152 3.872,1153 3.781,1154 3.85,1155 3.674,1156 3.596,1157 4.747,1158 3.605,1159 3.544,1160 3.596,1161 3.446,1162 3.416,1163 4.44,1164 3.409,1165 3.507,1166 3.558,1167 3.402,1168 3.311,1169 4.285,1170 3.33,1171 3.325,1172 3.398,1173 3.172,1174 3.168,1175 4.014,1176 3.159,1177 3.111,1178 3.206,1179 2.939,1180 2.952,1181 3.951,1182 2.938,1183 3.086,1184 3.161,1185 2.866,1186 2.941,1187 3.82,1188 2.91,1189 0.142,1190 0.11,1191 0.209,1192 0.128,1193 0.098,1194 4.551,1195 0.14,1196 3.533,1197 0.06,1198 6.695,1199 0.339,1200 4.108,1201 0.095,1202 3.139,1203 4.474,1204 1.907,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.931,1214 1.901,1215 2.056,1216 2.039,1217 1.238,1218 2.046,1219 1.741,1220 1.672,1221 1.937,1222 1.944,1223 1.147,1224 1.946,1225 1.525,1226 1.476,1227 1.737,1228 1.72,1229 0.879,1230 1.721,1231 1.462,1232 1.408,1233 1.714,1234 1.659,1235 0.825,1236 1.682,1237 1.331,1238 1.262,1239 1.614,1240 1.529,1241 0.803,1242 1.561,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.709,1248 1.429,1249 1.111,1250 1.039,1251 1.424,1252 1.303,1253 0.48,1254 1.349,1255 4.174,1257 5.485,1259 6.989,1261 8.585,1263 10.23,1265 3.579,1271 6.193,1272 2.861,1276 5.002,1280 35.122,1281 79.83,1282 184.748,1283 245.216,1284 294.965,1285 298.965,1286 298.965,1287 39.741,1288 7.824,1289 48.47,1290 48.47,1291 24,1292 12.488,1293 4.248,1294 3.392,1295 45.091,1296 138,1297 122,1298 0.161,1299 216.24,1300 370.65,1301 519.385,1302 30361,1304 20.217,1305 0.697,1306 0.593,1307 20.217,1308 17.189,1309 14.081,1310 0.44,1311 0.321,1312 10.18,1313 13.659,1314 9.859,1315 8.176,1316 14.081,1317 10.286,1318 12.823,1319 0.291,1320 0.176,1321 12.823,1322 7.757,1323 10.142,1324 0.181,1325 0.099,1326 10.142,1327 5.525,1328 8.755,1329 0.118,1330 0.054,1331 8.755,1332 4.024,1333 7.269,1334 0.077,1335 0.031,1336 7.269,1337 2.914,1338 0.261,1339 87.064,1340 0.215,1341 28.097,1342 0.419,1343 152,1344 371.004,1345 162.818,1346 367.016,1347 510.42,1348 346,1349 176,1350 380.636,1351 186.543,1352 388.97,1353 563.61,1354 367,1355 9.6} {0 CHEMBL1632207,1 1.385,2 13.9,3 4.11,4 16.895,5 122.126,6 6.71,7 0.515,8 4.164,9 4.3,10 3.652,11 3.713,12 5.154,13 3.667,14 4.727,15 4.931,16 3.989,17 4.103,18 5.657,19 4.032,20 5,21 5.235,22 4.041,23 4.269,24 5.893,25 4.166,26 5.056,27 5.302,28 3.958,29 4.293,30 5.891,31 4.15,32 5.09,33 5.36,34 3.907,35 4.277,36 5.868,37 4.121,38 5.036,39 5.304,40 3.809,41 4.207,42 5.818,43 4.04,44 4.965,45 5.248,46 3.638,47 4.076,48 5.709,49 3.897,50 4.81,51 5.091,52 3.492,53 3.93,54 5.541,55 3.749,56 0.055,57 0.882,58 13.671,59 5.532,60 7.999,61 7.918,62 0.23,63 1.449,64 25.243,65 8.894,66 21.7,67 13.28,68 0.349,69 1.795,70 33.941,71 11.536,72 38.187,73 17.153,74 0.281,75 1.819,76 35.632,77 13.546,78 38.018,79 19.681,80 0.275,81 1.83,82 37.159,83 13.902,84 36.051,85 20.467,86 0.274,87 1.744,88 35.18,89 13.093,90 34.617,91 19.334,92 0.305,93 1.582,94 33.186,95 11.846,96 35.269,97 17.628,98 0.274,99 1.353,100 28.311,101 10.228,102 28.016,103 15.267,104 13,105 45,106 0.224,107 0.527,108 0.72,109 0.849,110 0.86,111 0.86,112 3.44,113 0.986,114 -4.15,115 -4.09,116 -3.87,119 41.7,120 2,121 2,125 5,140 9,141 2,142 2,144 2,156 1,169 10,172 8,174 1,176 3,178 11,181 1,182 6,186 3,189 7,192 1,193 7,197 2,199 8,203 6,211 6,215 7,218 1,222 5,225 1,226 4,233 4,236 1,237 2,244 4,249 4,252 1,256 8,259 1472,260 20.541,261 20.541,262 20.541,263 20.541,264 20.541,265 18.375,266 25.972,267 12.201,268 20.86,269 16.252,270 16.252,271 16.252,272 16.252,273 16.252,274 12.933,275 34.953,276 5.761,277 16.756,278 4.522,279 2.652,280 1.454,281 0.658,282 0.592,283 0.592,284 4.14,288 1,289 1,290 903,291 3.317,295 371.393,299 143.383,302 2.12,303 17.529,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 417,316 4.551,317 3.586,318 6.695,319 4.108,320 3.139,321 4.474,322 1.907,323 10.856,324 3.046,325 4.096,326 3.28,327 5.808,328 3.726,329 2.745,330 3.684,331 0.8,332 8.009,333 2.695,334 3.856,335 2.918,336 5.65,337 3.579,338 2.639,339 3.249,340 0.8,341 7.89,342 2.473,343 3.656,344 2.788,345 5.34,346 3.374,347 2.407,348 2.875,349 0.149,350 6.933,351 2.348,352 3.523,353 2.622,354 5.137,355 3.262,356 2.285,357 2.734,359 6.361,360 2.201,361 3.343,362 2.272,363 4.96,364 3.006,365 2.04,366 2.52,368 5.729,369 1.967,370 3.214,371 2.206,372 4.66,373 2.862,374 1.864,375 2.402,377 4.997,378 1.85,379 3.027,380 1.651,381 4.557,382 2.573,383 1.596,384 2.241,386 4.488,387 1.559,388 2.776,389 1.476,390 4.036,391 2.398,392 1.418,393 1.846,395 3.466,396 1.386,397 2.669,398 1.28,399 3.504,400 2.207,401 1.212,402 1.742,404 2.654,405 1.206,406 2.257,407 1.146,408 3.414,409 1.967,410 1,411 1.168,413 2.275,414 0.965,415 2,416 1.01,417 3.372,418 1.839,419 0.859,420 1,422 2.036,423 0.84,424 1.766,425 0.912,426 3.19,427 1.601,428 0.624,429 0.698,431 1.506,432 0.609,433 1.507,434 0.732,435 2.824,436 1.382,437 0.382,438 0.409,440 0.557,441 0.379,442 1.178,443 0.379,444 2.625,445 0.805,446 -0.175,447 -0.202,449 -0.429,450 -0.171,451 14.433,452 0.481,453 0.639,454 0.021,455 37.75,456 1.258,457 18.5,458 0.617,459 19.25,460 0.642,461 26.539,462 0.885,463 32.367,464 0.539,465 26.772,466 0.892,467 7.301,468 0.243,469 7.318,470 0.244,471 0.092,473 0.298,479 0.792,480 1.411,481 0.885,482 1.144,483 0.599,484 1.039,485 0.979,486 1.183,487 0.945,488 0.987,489 0.553,490 0.955,491 1.363,492 0.975,493 1.099,494 0.933,495 1.079,496 0.973,497 0.938,498 1.093,499 1.065,500 1.114,501 0.932,502 1.106,503 0.858,504 0.997,505 0.976,506 1.007,507 0.786,508 1.003,509 0.807,510 1.077,511 1.056,512 1.114,513 0.749,514 1.107,515 0.984,516 0.99,517 1.06,518 1.022,519 0.951,520 1.044,521 0.841,522 1.037,523 1.049,524 1.054,525 0.802,526 1.068,527 6,528 0.124,529 2.889,530 1.625,531 1.511,532 0.778,533 0.584,534 0.359,535 0.201,536 0.182,537 13467,538 29864,539 2.107,540 50,541 3,542 19,545 1,546 5,547 2,550 1.722,551 2,552 3.727,553 -0.415,555 1,559 83.11,560 1.385,561 3.255,562 4.453,563 5.248,564 5.315,565 5.315,566 3.219,567 4.482,568 4.878,569 3.908,570 1700.12,571 8.473,572 24918.1,574 1,577 354.413,578 1.295,579 4.851,580 0.182,581 0.005,582 0.064,583 0.035,584 0.037,585 0.02,586 0.017,587 0.013,588 0.008,589 0.008,590 0.39,591 0.5,592 1,593 0.986,594 157.765,595 0.018,596 -0.2,597 0.066,598 -0.057,599 -0.012,600 -0.003,601 0.039,602 -0.042,603 0.041,604 0.012,605 0.094,606 0.026,607 -0.164,608 0.108,609 -0.096,610 0.033,611 -0.072,612 -0.014,613 -0.033,614 -0.093,615 -0.094,616 -0.107,617 -0.019,618 -0.109,619 -0.033,620 -0.032,621 -0.006,622 -0.014,623 -0.016,624 -0.008,625 -0.002,626 -0.101,627 -0.088,628 -0.126,629 -0.047,630 -0.117,631 -0.048,632 -0.036,633 -0.077,634 -0.059,635 -0.093,636 -0.07,637 0.031,638 -0.085,639 -0.072,640 -0.082,641 -0.036,642 -0.088,643 1.609,644 4.616,645 0.733,646 32.604,647 0.987,648 1.127,649 2.921,650 8.532,651 0.656,652 3.526,653 3.829,654 4.078,655 4.331,656 4.585,657 4.615,658 4.727,659 4.836,660 4.913,661 4.942,662 7.983,663 0.611,664 402.59,665 3.526,666 5.056,667 5.894,668 6.76,669 7.615,670 8.487,671 9.349,672 10.224,673 11.09,674 11.967,675 6.7,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 60,716 18,717 2,718 33,720 63,721 25,722 15,723 5,724 7,730 4,731 5,736 2,743 2,745 16,746 9,750 1,755 1,759 1,761 1,764 30,765 5,766 1,767 5,773 4,777 0.75,778 1,786 1,793 4,797 1,805 1,815 1,819 3,823 2,827 30,833 7,834 1,838 2,847 1.7,850 1,854 15,855 11.267,856 6.667,857 3.914,858 3.401,859 1.431,860 0.992,861 6.538,862 11.297,863 3.773,864 4.344,865 4.892,866 5.471,867 6.034,868 6.246,869 6.56,870 6.884,871 7.138,872 7.017,873 1,874 46,875 11.112,877 4.615,878 7.522,879 21.918,881 18.073,883 2.022,884 60.667,887 1,888 341.362,889 139.412,890 41.045,892 25.145,895 139.412,896 366.507,897 41.045,898 17.65,899 33.608,900 85.286,901 46.635,902 22.422,904 341.362,906 341.362,907 180.457,908 25.145,911 317.82,912 48.687,915 59.284,916 104.387,917 16.786,919 341.362,920 66.19,921 139.412,924 341.362,925 36.475,926 109.185,927 18.011,928 41.93,929 341.362,930 66.19,931 139.412,933 0.574,934 0.331,935 0.176,936 0.101,937 21,938 9,939 0.095,940 6,941 1,942 1.091,943 4.274,944 258.142,945 0.091,946 22,947 141.207,951 20.679,952 9.484,953 5.136,954 2.312,955 66.19,956 18.927,957 4.676,961 4.507,963 18.011,964 546.964,965 42.5,970 11.616,974 0.057,975 59.221,976 67.6,977 0.235,978 0.551,979 0.754,980 0.889,981 0.9,982 0.9,983 4.999,984 1.596,985 5.861,986 4.997,987 4.511,988 5.03,989 2.194,990 6.632,991 4.451,992 6.181,993 1.418,994 7.391,995 4.488,996 4.007,997 4.783,998 1.738,999 7.445,1000 3.909,1001 7.471,1002 1.212,1003 9.017,1004 3.466,1005 6.066,1006 7.199,1007 2.953,1008 10.529,1009 5.94,1010 8.793,1011 1,1012 10.7,1013 2.654,1014 6.365,1015 7.789,1016 3.061,1017 12.201,1018 6.199,1019 10.148,1020 0.859,1021 12.423,1022 2.275,1023 7.879,1024 9.693,1025 4.047,1026 14.81,1027 7.688,1028 11.525,1029 0.624,1030 14.174,1031 2.036,1032 8.574,1033 10.716,1034 4.414,1035 16.875,1036 8.347,1037 12.922,1038 0.382,1039 15.948,1040 1.506,1041 9.853,1042 12.394,1043 5.252,1044 19.326,1045 9.6,1046 3.139,1047 -0.175,1048 17.741,1049 0.557,1050 10.756,1051 13.649,1052 5.75,1053 21.569,1054 10.47,1055 2.745,1056 10.856,1057 19.549,1058 -0.429,1059 11.932,1060 15.222,1061 6.502,1062 23.97,1063 11.62,1064 2.639,1065 8.009,1066 21.371,1067 4.474,1068 12.943,1069 16.597,1070 7.068,1071 26.291,1072 12.6,1073 2.407,1074 7.89,1075 23.204,1076 3.684,1077 14.08,1078 18.123,1079 7.771,1080 28.678,1081 13.71,1082 2.285,1083 6.933,1084 25.048,1085 3.249,1086 15.146,1087 19.558,1088 8.374,1089 31.034,1090 14.746,1091 2.04,1092 6.361,1093 26.899,1094 2.875,1095 16.27,1096 21.064,1097 9.051,1098 33.417,1099 15.843,1100 1.864,1101 5.729,1102 28.759,1103 2.734,1104 17.367,1105 22.529,1106 9.674,1107 35.788,1108 16.91,1109 12787,1110 19133,1111 22.364,1112 39.375,1113 48.422,1114 49.568,1115 49.93,1116 48.45,1117 48.423,1118 62.086,1119 7.312,1120 135.514,1121 47.045,1122 5.551,1123 5.586,1124 6.257,1125 5.176,1126 5.139,1127 7.474,1128 3.306,1129 18.031,1130 5.046,1131 13.294,1132 1.467,1133 1.502,1134 1.513,1135 1.468,1136 1.467,1137 1.881,1138 0.222,1139 4.106,1140 1.426,1141 4.094,1142 4.129,1143 4.052,1144 4.015,1145 7.429,1146 4.02,1147 3.952,1148 3.988,1149 3.886,1150 3.876,1151 4.983,1152 3.874,1153 3.782,1154 3.851,1155 3.675,1156 3.596,1157 4.747,1158 3.605,1159 3.619,1160 3.671,1161 3.506,1162 3.439,1163 4.44,1164 3.443,1165 3.516,1166 3.57,1167 3.411,1168 3.412,1169 4.285,1170 3.404,1171 3.34,1172 3.416,1173 3.184,1174 3.191,1175 4.055,1176 3.178,1177 3.111,1178 3.206,1179 2.949,1180 2.953,1181 3.971,1182 2.94,1183 3.093,1184 3.17,1185 2.879,1186 2.941,1187 3.861,1188 2.91,1189 0.138,1190 0.109,1191 0.203,1192 0.124,1193 0.095,1194 4.551,1195 0.136,1196 3.586,1197 0.058,1198 6.695,1199 0.329,1200 4.108,1201 0.092,1202 3.139,1203 4.474,1204 1.907,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.932,1214 1.901,1215 2.056,1216 2.04,1217 1.238,1218 2.047,1219 1.742,1220 1.673,1221 1.938,1222 1.946,1223 1.148,1224 1.948,1225 1.586,1226 1.53,1227 1.851,1228 1.794,1229 1.018,1230 1.812,1231 1.521,1232 1.472,1233 1.733,1234 1.665,1235 0.866,1236 1.69,1237 1.351,1238 1.28,1239 1.626,1240 1.545,1241 0.825,1242 1.577,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.802,1248 1.429,1249 1.112,1250 1.04,1251 1.424,1252 1.32,1253 0.48,1254 1.35,1255 4.205,1257 5.509,1259 7.013,1261 8.607,1263 10.25,1265 3.91,1271 6.701,1272 2.948,1276 5.012,1280 36.649,1281 83.11,1282 195.307,1283 267.155,1284 314.904,1285 318.904,1286 318.904,1287 43.751,1288 7.896,1289 48.47,1290 48.47,1291 24,1292 12.507,1293 4.248,1294 3.392,1295 47.447,1296 147,1297 142,1298 0.158,1299 225.832,1300 387.95,1301 542.791,1302 33506,1304 20.924,1305 0.697,1306 0.597,1307 20.924,1308 17.896,1309 14.619,1310 0.443,1311 0.329,1312 10.74,1313 14.21,1314 10.424,1315 8.653,1316 14.619,1317 10.846,1318 12.943,1319 0.288,1320 0.177,1321 12.943,1322 7.977,1323 10.77,1324 0.186,1325 0.1,1326 10.77,1327 5.81,1328 8.824,1329 0.118,1330 0.054,1331 8.824,1332 4.07,1333 7.442,1334 0.077,1335 0.031,1336 7.442,1337 2.994,1338 0.256,1339 90.292,1340 0.211,1341 28.956,1342 0.408,1343 156,1344 375.004,1345 166.818,1346 370.851,1347 517.18,1348 350,1349 181,1350 386.636,1351 192.042,1352 394.296,1353 573.59,1354 373,1355 9.699} {0 CHEMBL1632208,1 1.371,2 14.032,3 4.573,4 20.911,5 126.7,6 6.613,7 0.5,8 4.208,9 4.345,10 3.681,11 3.755,12 5.19,13 3.705,14 4.776,15 4.983,16 4.028,17 4.152,18 5.69,19 4.078,20 5.056,21 5.289,22 4.093,23 4.325,24 5.963,25 4.219,26 5.148,27 5.405,28 3.989,29 4.338,30 5.995,31 4.192,32 5.124,33 5.395,34 3.948,35 4.316,36 5.899,37 4.161,38 5.073,39 5.335,40 3.863,41 4.265,42 5.867,43 4.099,44 5.04,45 5.326,46 3.701,47 4.151,48 5.776,49 3.969,50 4.877,51 5.155,52 3.542,53 4.007,54 5.607,55 3.819,56 0.061,57 0.921,58 14.55,59 5.873,60 9.167,61 8.45,62 0.24,63 1.516,64 26.749,65 9.478,66 24.112,67 14.202,68 0.34,69 1.897,70 35.962,71 12.388,72 39.89,73 18.472,74 0.366,75 1.944,76 39.61,77 14.413,78 49.806,79 21.073,80 0.281,81 1.888,82 38.387,83 14.404,84 36.779,85 21.247,86 0.276,87 1.821,88 36.391,89 13.699,90 35.751,91 20.204,92 0.317,93 1.693,94 35.632,95 12.862,96 37.278,97 19.16,98 0.279,99 1.447,100 30.116,101 11.046,102 29.195,103 16.465,104 20,105 47,106 0.22,107 0.524,108 0.719,109 0.83,110 0.84,111 0.84,112 3.471,113 0.991,114 -4.36,115 -4.29,116 -4.05,119 41.3,120 3,121 1,122 1,125 5,140 9,141 2,142 2,144 2,156 1,169 11,172 8,174 1,176 3,178 12,181 1,182 7,186 4,189 7,192 1,193 7,197 2,199 8,203 6,211 8,215 7,218 1,222 7,225 1,226 4,233 6,236 1,237 2,244 4,249 5,252 1,256 8,259 1628,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.737,266 27.184,267 12.315,268 21.2,269 16.782,270 16.782,271 16.782,272 16.782,273 16.782,274 13.501,275 37.149,276 5.865,277 17.29,278 4.607,279 2.711,280 1.492,281 0.798,282 0.734,283 0.734,284 4.169,288 1,289 1,290 938,291 3.606,295 388.606,299 150.296,302 2.162,303 18.343,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 435,316 4.551,317 3.691,318 6.695,319 4.108,320 3.139,321 4.474,322 1.907,323 10.856,324 3.046,325 4.113,326 3.28,327 5.837,328 3.78,329 2.792,330 3.687,331 0.8,332 8.111,333 2.757,334 3.858,335 2.919,336 5.807,337 3.603,338 2.654,339 3.249,340 0.8,341 7.999,342 2.571,343 3.818,344 2.791,345 5.531,346 3.533,347 2.541,348 3.037,349 0.149,350 7.26,351 2.461,352 3.534,353 2.623,354 5.316,355 3.302,356 2.36,357 2.736,359 6.835,360 2.22,361 3.36,362 2.276,363 4.969,364 3.03,365 2.059,366 2.571,368 5.768,369 1.998,370 3.257,371 2.212,372 4.92,373 2.94,374 1.968,375 2.438,377 5.657,378 1.904,379 3.027,380 1.774,381 4.558,382 2.574,383 1.597,384 2.242,386 4.49,387 1.559,388 2.777,389 1.651,390 4.036,391 2.4,392 1.419,393 1.848,395 3.466,396 1.388,397 2.678,398 1.476,399 3.578,400 2.244,401 1.25,402 1.754,404 2.748,405 1.241,406 2.304,407 1.279,408 3.428,409 2.023,410 1,411 1.192,413 2.275,414 1.015,415 2.257,416 1.146,417 3.414,418 1.967,419 1,420 1.168,422 2.272,423 0.965,424 2,425 0.912,426 3.371,427 1.839,428 0.859,429 1,431 2.035,432 0.84,433 1.766,434 0.733,435 3.181,436 1.6,437 0.623,438 0.697,440 1.502,441 0.607,442 1.181,443 0.446,444 2.629,445 0.807,446 -0.174,447 -0.202,449 -0.427,450 -0.17,451 14.933,452 0.482,453 0.767,454 0.025,455 38.25,456 1.234,457 18.5,458 0.597,459 19.75,460 0.637,461 28.918,462 0.933,463 33.667,464 0.534,465 27.546,466 0.889,467 7.275,468 0.235,469 7.717,470 0.249,471 0.123,473 0.321,479 0.794,480 1.414,481 0.903,482 1.156,483 0.625,484 1.055,485 0.969,486 1.164,487 0.931,488 0.973,489 0.552,490 0.942,491 1.31,492 1.064,493 1.109,494 1.015,495 1.025,496 1.031,497 1.231,498 1.014,499 1.078,500 1.025,501 1.333,502 1.041,503 0.86,504 0.982,505 0.956,506 0.984,507 0.781,508 0.979,509 0.818,510 1.114,511 1.087,512 1.151,513 0.773,514 1.144,515 0.954,516 0.981,517 1.041,518 1.013,519 0.925,520 1.031,521 0.834,522 1.084,523 1.09,524 1.11,525 0.807,526 1.122,527 6.5,528 0.157,529 3.333,530 1.625,531 1.671,532 0.833,533 0.647,534 0.418,535 0.201,536 0.222,537 14704,538 31633,539 2.084,540 50.8,541 6,542 19,545 1,546 4,547 2,550 1.73,551 1.958,552 3.747,553 -0.425,559 86.357,560 1.371,561 3.267,562 4.485,563 5.179,564 5.243,565 5.243,566 3.232,567 4.672,568 4.927,569 3.946,570 1834.81,571 8.568,572 27690.8,574 1,577 376.569,578 1.383,579 4.888,580 0.191,581 0.006,582 0.071,583 0.034,584 0.04,585 0.02,586 0.018,587 0.014,588 0.008,589 0.009,590 0.411,591 0.33,592 1,593 1.02,594 164.951,595 0.023,596 -0.193,597 0.065,598 -0.055,599 -0.026,600 -0.003,601 0.051,602 -0.021,603 0.064,604 0.036,605 0.098,606 0.05,607 -0.122,608 0.026,609 -0.103,610 -0.038,611 -0.025,612 -0.061,613 -0.093,614 -0.023,615 -0.085,616 -0.038,617 -0.081,618 -0.06,619 -0.028,620 -0.01,621 0.015,622 0.01,623 -0.005,624 0.016,625 -0.013,626 -0.119,627 -0.12,628 -0.154,629 -0.063,630 -0.148,631 -0.038,632 -0.027,633 -0.062,634 -0.046,635 -0.084,636 -0.056,637 0.021,638 -0.122,639 -0.118,640 -0.131,641 -0.051,642 -0.138,643 1.605,644 4.947,645 0.71,646 34.339,647 0.986,648 1.127,649 3.125,650 9.767,651 0.653,652 3.555,653 3.871,654 4.111,655 4.344,656 4.605,657 4.635,658 4.754,659 4.86,660 4.942,661 4.963,662 8.209,663 0.606,664 416.62,665 3.555,666 5.094,667 5.932,668 6.799,669 7.655,670 8.525,671 9.388,672 10.261,673 11.128,674 12.003,675 6.3,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 63,716 18,717 2,718 34,720 66,721 26,722 15,723 5,724 7,730 4,731 5,736 3,743 1,745 16,746 10,747 1,750 1,755 1,759 1,761 1,764 32,765 5,766 1,767 5,773 4,777 0.75,778 1,786 1,793 4,797 1,805 1,815 1,819 3,823 3,827 31,833 6,834 1,837 1,838 2,847 1.6,850 1,854 15.833,855 12.1,856 6.778,857 4.039,858 3.409,859 1.428,860 0.982,861 6.769,862 11.372,863 3.795,864 4.369,865 4.914,866 5.475,867 6.041,868 6.255,869 6.573,870 6.897,871 7.156,872 7.026,873 1,874 48,875 11.493,877 4.784,878 7.516,879 22.674,881 18.759,883 2.016,884 62.5,887 1,888 364.904,889 145.702,890 41.045,892 25.145,895 145.702,896 390.049,897 41.045,898 26.476,899 31.074,900 85.286,901 46.635,902 22.422,904 364.904,906 364.904,907 186.747,908 25.145,911 341.362,912 48.687,915 65.575,916 104.387,917 16.786,919 364.904,920 66.19,921 145.702,924 364.904,925 33.941,926 118.01,927 18.011,928 41.93,929 364.904,930 66.19,931 145.702,933 0.583,934 0.333,935 0.17,936 0.098,937 22,938 10,939 0.091,940 6,941 1,942 1.091,943 4.33,944 269.912,945 0.091,946 22,947 145.58,951 21.64,952 9.697,953 5.372,954 2.311,955 66.19,956 18.952,957 4.68,961 4.501,963 18.011,964 576.796,965 43.5,970 11.947,974 0.062,975 62.105,976 71.015,977 0.229,978 0.546,979 0.75,980 0.867,981 0.877,982 0.877,983 5.032,984 1.597,985 5.911,986 5.657,987 4.554,988 5.056,989 2.194,990 6.688,991 4.497,992 6.219,993 1.419,994 7.451,995 4.49,996 4.111,997 4.832,998 1.738,999 7.519,1000 4.022,1001 7.512,1002 1.25,1003 9.087,1004 3.466,1005 6.12,1006 7.22,1007 2.953,1008 10.593,1009 6.002,1010 8.836,1011 1,1012 10.779,1013 2.748,1014 6.463,1015 7.821,1016 3.061,1017 12.263,1018 6.318,1019 10.192,1020 1,1021 12.509,1022 2.275,1023 7.948,1024 9.711,1025 4.047,1026 14.864,1027 7.774,1028 11.57,1029 0.859,1030 14.265,1031 2.272,1032 8.668,1033 10.737,1034 4.414,1035 16.918,1036 8.468,1037 12.968,1038 0.623,1039 16.041,1040 2.035,1041 9.93,1042 12.408,1043 5.252,1044 19.363,1045 9.703,1046 3.139,1047 -0.174,1048 17.834,1049 1.502,1050 10.842,1051 13.661,1052 5.75,1053 21.597,1054 10.59,1055 2.792,1056 10.856,1057 19.641,1058 -0.427,1059 12.009,1060 15.231,1061 6.502,1062 23.993,1063 11.73,1064 2.654,1065 8.111,1066 21.46,1067 4.474,1068 13.021,1069 16.604,1070 7.068,1071 26.308,1072 12.714,1073 2.541,1074 7.999,1075 23.289,1076 3.687,1077 14.151,1078 18.128,1079 7.771,1080 28.691,1081 13.816,1082 2.36,1083 7.26,1084 25.128,1085 3.249,1086 15.214,1087 19.562,1088 8.374,1089 31.044,1090 14.852,1091 2.059,1092 6.835,1093 26.974,1094 3.037,1095 16.333,1096 21.067,1097 9.051,1098 33.425,1099 15.942,1100 1.968,1101 5.768,1102 28.828,1103 2.736,1104 17.426,1105 22.531,1106 9.674,1107 35.794,1108 17.005,1109 13998,1110 20626,1111 22.77,1112 41.137,1113 50.774,1114 51.679,1115 51.873,1116 50.547,1117 50.521,1118 64.185,1119 7.312,1120 142.549,1121 49.144,1122 5.551,1123 5.691,1124 6.251,1125 5.176,1126 5.139,1127 7.474,1128 3.306,1129 18.031,1130 5.046,1131 15.596,1132 1.493,1133 1.52,1134 1.526,1135 1.487,1136 1.486,1137 1.888,1138 0.215,1139 4.193,1140 1.445,1141 4.095,1142 4.129,1143 4.053,1144 4.015,1145 7.428,1146 4.021,1147 3.955,1148 3.991,1149 3.889,1150 3.878,1151 4.983,1152 3.875,1153 3.784,1154 3.853,1155 3.677,1156 3.597,1157 4.747,1158 3.607,1159 3.69,1160 3.74,1161 3.575,1162 3.543,1163 4.44,1164 3.54,1165 3.517,1166 3.571,1167 3.413,1168 3.414,1169 4.285,1170 3.407,1171 3.348,1172 3.423,1173 3.194,1174 3.197,1175 4.16,1176 3.185,1177 3.114,1178 3.206,1179 2.977,1180 2.953,1181 3.98,1182 2.941,1183 3.111,1184 3.188,1185 2.918,1186 2.941,1187 3.884,1188 2.91,1189 0.134,1190 0.109,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.691,1197 0.056,1198 6.695,1199 0.319,1200 4.108,1201 0.09,1202 3.139,1203 4.474,1204 1.907,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.933,1214 1.902,1215 2.058,1216 2.042,1217 1.239,1218 2.049,1219 1.744,1220 1.676,1221 1.947,1222 1.95,1223 1.153,1224 1.953,1225 1.674,1226 1.62,1227 1.913,1228 1.85,1229 1.113,1230 1.873,1231 1.522,1232 1.473,1233 1.733,1234 1.667,1235 0.869,1236 1.691,1237 1.355,1238 1.285,1239 1.627,1240 1.551,1241 0.825,1242 1.581,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.802,1248 1.429,1249 1.112,1250 1.04,1251 1.424,1252 1.333,1253 0.48,1254 1.35,1255 4.234,1257 5.549,1259 7.057,1261 8.652,1263 10.293,1265 5.863,1271 6.183,1272 2.997,1275 -0.013,1276 5.015,1280 38.176,1281 86.357,1282 205.793,1283 282.555,1284 326.304,1285 330.304,1286 330.304,1287 48.59,1288 7.963,1289 48.47,1290 48.47,1291 24,1292 12.544,1293 4.248,1294 3.392,1295 49.856,1296 156,1297 135,1298 0.155,1299 235.425,1300 405.25,1301 566.196,1302 36653,1304 21.794,1305 0.703,1306 0.605,1307 21.794,1308 18.766,1309 14.991,1310 0.441,1311 0.33,1312 11.123,1313 14.588,1314 10.733,1315 8.948,1316 14.991,1317 11.229,1318 13.651,1319 0.29,1320 0.186,1321 13.651,1322 8.719,1323 11.18,1324 0.186,1325 0.1,1326 11.18,1327 5.997,1328 8.886,1329 0.117,1330 0.054,1331 8.886,1332 4.107,1333 7.563,1334 0.076,1335 0.031,1336 7.563,1337 3.048,1338 0.253,1339 92.528,1340 0.21,1341 29.769,1342 0.401,1343 162,1344 381.004,1345 172.818,1346 377.849,1347 526.88,1348 356,1349 188,1350 394.636,1351 199.541,1352 403.886,1353 587.15,1354 381,1355 9.801} {0 CHEMBL1632209,1 1.357,2 14.156,3 4.99,4 24.898,5 131.201,6 6.525,7 0.486,8 4.25,9 4.389,10 3.71,11 3.796,12 5.227,13 3.742,14 4.823,15 5.032,16 4.081,17 4.205,18 5.727,19 4.131,20 5.111,21 5.332,22 4.15,23 4.395,24 6.043,25 4.284,26 5.274,27 5.55,28 4.021,29 4.397,30 6.11,31 4.241,32 5.157,33 5.429,34 3.988,35 4.353,36 5.93,37 4.198,38 5.11,39 5.365,40 3.914,41 4.319,42 5.915,43 4.155,44 5.109,45 5.398,46 3.76,47 4.222,48 5.839,49 4.036,50 4.94,51 5.215,52 3.589,53 4.078,54 5.67,55 3.885,56 0.067,57 0.96,58 15.419,59 6.213,60 10.331,61 8.978,62 0.249,63 1.584,64 28.232,65 10.069,66 26.217,67 15.119,68 0.326,69 2.022,70 38.003,71 13.369,72 42.086,73 19.905,74 0.464,75 2.124,76 45.36,77 15.9,78 63.711,79 23.461,80 0.287,81 1.947,82 39.605,83 14.909,84 37.841,85 22.025,86 0.277,87 1.899,88 37.655,89 14.322,90 37.357,91 21.097,92 0.328,93 1.805,94 38.045,95 13.874,96 39.608,97 20.677,98 0.284,99 1.542,100 31.941,101 11.87,102 30.716,103 17.67,104 29,105 50,106 0.216,107 0.514,108 0.696,109 0.801,110 0.811,111 0.811,112 3.502,113 0.989,114 -4.56,115 -4.48,116 -4.22,119 40.9,120 4,121 1,123 1,125 5,140 9,141 2,142 2,144 2,156 1,169 12,172 8,174 1,176 3,178 14,181 1,182 8,186 5,189 7,192 1,193 7,197 2,199 8,203 6,211 10,215 7,218 1,222 9,225 1,226 4,233 8,236 1,237 2,244 4,249 6,252 1,256 8,259 1770,260 21.143,261 21.143,262 21.143,263 21.143,264 21.143,265 19.016,266 28.397,267 12.295,268 21.466,269 17.282,270 17.282,271 17.282,272 17.282,273 17.282,274 14.029,275 40.815,276 5.862,277 17.793,278 4.687,279 2.81,280 1.663,281 1.001,282 0.94,283 0.94,284 4.196,289 1,290 973,291 4,295 405.819,299 157.208,302 2.219,303 19.097,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 67,315 453,316 4.551,317 3.943,318 7.058,319 4.297,320 3.293,321 4.474,322 1.907,323 11.369,324 3.302,325 4.392,326 3.28,327 6.695,328 4.108,329 3.139,330 3.709,331 0.8,332 10.856,333 3.046,334 4.051,335 2.922,336 5.808,337 3.686,338 2.707,339 3.467,340 0.8,341 8.006,342 2.66,343 3.855,344 2.805,345 5.614,346 3.57,347 2.625,348 3.249,349 0.149,350 7.787,351 2.466,352 3.543,353 2.634,354 5.328,355 3.313,356 2.375,357 2.738,359 6.9,360 2.23,361 3.389,362 2.497,363 5.014,364 3.071,365 2.096,366 2.632,368 6.028,369 2.04,370 3.291,371 2.263,372 4.954,373 2.971,374 2.009,375 2.455,377 5.72,378 1.927,379 3.028,380 2.186,381 4.558,382 2.576,383 1.599,384 2.243,386 4.491,387 1.561,388 2.807,389 1.651,390 4.234,391 2.43,392 1.429,393 1.864,395 3.651,396 1.425,397 2.762,398 1.476,399 4.036,400 2.382,401 1.382,402 1.805,404 3.462,405 1.371,406 2.637,407 1.279,408 3.502,409 2.166,410 1.156,411 1.627,413 2.61,414 1.164,415 2.257,416 1.146,417 3.414,418 1.967,419 1,420 1.168,422 2.275,423 0.965,424 2,425 0.912,426 3.372,427 1.839,428 0.859,429 1,431 2.036,432 0.84,433 1.766,434 0.733,435 3.189,436 1.6,437 0.623,438 0.698,440 1.504,441 0.608,442 1.182,443 0.464,444 2.839,445 0.808,446 -0.174,447 -0.202,449 -0.426,450 -0.17,451 15.433,452 0.482,453 0.966,454 0.03,455 38.75,456 1.211,457 18.5,458 0.578,459 20.25,460 0.633,461 31.813,462 0.994,463 34.967,464 0.53,465 28.387,466 0.887,467 7.259,468 0.227,469 8.033,470 0.251,471 0.151,472 0.032,473 0.279,479 0.796,480 1.417,481 0.92,482 1.168,483 0.654,484 1.07,485 0.954,486 1.118,487 0.89,488 0.926,489 0.534,490 0.896,491 1.274,492 1.21,493 1.183,494 1.166,495 1.001,496 1.159,497 1.431,498 0.904,499 1.041,500 0.907,501 1.619,502 0.941,503 0.862,504 0.968,505 0.938,506 0.963,507 0.776,508 0.958,509 0.83,510 1.148,511 1.117,512 1.186,513 0.797,514 1.177,515 0.928,516 0.973,517 1.025,518 1.004,519 0.904,520 1.021,521 0.829,522 1.126,523 1.127,524 1.16,525 0.813,526 1.169,527 8,528 0.19,529 3.778,530 1.75,531 1.831,532 0.944,533 0.749,534 0.477,535 0.225,536 0.262,537 15945,538 33406,539 2.056,540 51.5,541 9,542 19,545 1,546 3,547 2,550 1.738,551 1.91,552 3.748,553 -0.434,559 89.574,560 1.357,561 3.234,562 4.381,563 5.044,564 5.104,565 5.104,566 3.23,567 4.539,568 4.974,569 3.972,570 1970.3,571 8.66,572 30525.7,577 398.93,578 1.574,579 4.918,580 0.229,581 0.007,582 0.076,583 0.035,584 0.043,585 0.022,586 0.02,587 0.015,588 0.009,589 0.01,590 0.464,591 0.33,592 1,593 1.043,594 172.061,595 0.026,596 -0.187,597 0.064,598 -0.052,599 -0.043,600 -0.002,601 0.066,602 0.029,603 0.114,604 0.093,605 0.12,606 0.107,607 -0.102,608 -0.1,609 -0.175,610 -0.169,611 -0.007,612 -0.174,613 -0.121,614 0.059,615 -0.033,616 0.054,617 -0.114,618 0.022,619 -0.023,620 0.01,621 0.034,622 0.034,623 0.006,624 0.039,625 -0.023,626 -0.137,627 -0.148,628 -0.179,629 -0.078,630 -0.176,631 -0.03,632 -0.019,633 -0.049,634 -0.035,635 -0.076,636 -0.043,637 0.011,638 -0.154,639 -0.157,640 -0.174,641 -0.066,642 -0.181,643 1.644,644 5.269,645 0.688,646 35.895,647 0.985,648 1.128,649 3.326,650 11.066,651 0.65,652 3.584,653 3.932,654 4.143,655 4.357,656 4.625,657 4.654,658 4.779,659 4.883,660 4.97,661 4.984,662 8.394,663 0.602,664 430.65,665 3.584,666 5.142,667 5.979,668 6.858,669 7.713,670 8.591,671 9.454,672 10.332,673 11.198,674 12.076,675 6.1,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 66,716 18,717 2,718 35,720 69,721 27,722 15,723 5,724 7,730 4,731 5,736 4,737 1,743 1,745 16,746 11,750 1,755 1,759 1,764 34,765 5,766 1,767 5,773 4,777 0.75,778 1,786 1,793 4,797 1,805 1,815 1,819 3,823 4,827 32,833 6,834 1,838 2,839 1,847 1.5,850 1,854 16.75,855 13.017,856 6.833,857 4.101,858 3.415,859 1.425,860 0.968,861 6.71,862 11.442,863 3.818,864 4.407,865 4.936,866 5.479,867 6.048,868 6.264,869 6.585,870 6.909,871 7.173,872 7.034,873 1,874 50,875 11.873,877 4.964,878 7.513,879 23.41,881 19.454,883 2.013,884 64.417,888 388.446,889 154.528,890 41.045,892 25.145,895 154.528,896 413.591,897 41.045,898 35.301,899 31.074,900 85.286,901 46.635,902 22.422,904 388.446,906 388.446,907 195.573,908 25.145,911 364.904,912 48.687,915 74.4,916 104.387,917 16.786,919 388.446,920 66.19,921 154.528,924 388.446,925 33.941,926 126.836,927 18.011,928 41.93,929 388.446,930 66.19,931 154.528,933 0.593,934 0.331,935 0.164,936 0.095,937 24,938 11,939 0.087,940 6,941 1,942 1.091,943 4.364,944 283.107,945 0.091,946 22,947 149.245,951 22.604,952 9.5,953 5.624,954 2.309,955 66.19,956 18.965,957 4.684,961 4.486,963 18.011,964 609.164,965 44.5,970 12.269,974 0.046,975 64.989,976 74.431,977 0.225,978 0.535,979 0.725,980 0.834,981 0.844,982 0.844,983 5.077,984 1.599,985 5.999,986 5.72,987 4.615,988 5.094,989 2.194,990 6.821,991 4.561,992 6.29,993 1.429,994 7.575,995 4.491,996 4.369,997 4.966,998 1.738,999 7.921,1000 4.302,1001 7.607,1002 1.382,1003 9.259,1004 3.651,1005 6.271,1006 7.276,1007 2.953,1008 10.914,1009 6.171,1010 8.956,1011 1.156,1012 11.01,1013 3.462,1014 6.804,1015 7.931,1016 3.061,1017 12.818,1018 6.706,1019 10.336,1020 1,1021 12.804,1022 2.61,1023 8.234,1024 9.778,1025 4.047,1026 15.404,1027 8.111,1028 11.738,1029 0.859,1030 14.629,1031 2.275,1032 9.112,1033 10.825,1034 4.414,1035 17.619,1036 8.997,1037 13.157,1038 0.623,1039 16.478,1040 2.036,1041 10.367,1042 12.471,1043 5.252,1044 20.084,1045 10.237,1046 3.293,1047 -0.174,1048 18.344,1049 1.504,1050 11.402,1051 13.728,1052 5.75,1053 22.419,1054 11.28,1055 3.139,1056 11.369,1057 20.225,1058 -0.426,1059 12.593,1060 15.282,1061 6.502,1062 24.847,1063 12.464,1064 2.707,1065 10.856,1066 22.117,1067 4.474,1068 13.7,1069 16.652,1070 7.068,1071 27.229,1072 13.578,1073 2.625,1074 8.006,1075 24.019,1076 3.709,1077 14.871,1078 18.166,1079 7.771,1080 29.647,1081 14.746,1082 2.375,1083 7.787,1084 25.927,1085 3.467,1086 16.011,1087 19.595,1088 8.374,1089 32.049,1090 15.892,1091 2.096,1092 6.9,1093 27.842,1094 3.249,1095 17.178,1096 21.093,1097 9.051,1098 34.464,1099 17.059,1100 2.009,1101 6.028,1102 29.762,1103 2.738,1104 18.334,1105 22.554,1106 9.674,1107 36.874,1108 18.22,1109 15217,1110 22127,1111 23.057,1112 42.898,1113 53.061,1114 53.835,1115 53.551,1116 52.596,1117 52.585,1118 66.255,1119 7.312,1120 153.39,1121 51.209,1122 5.551,1123 5.943,1124 6.614,1125 5.364,1126 5.293,1127 7.474,1128 3.306,1129 18.545,1130 5.302,1131 17.639,1132 1.516,1133 1.538,1134 1.53,1135 1.503,1136 1.502,1137 1.893,1138 0.209,1139 4.383,1140 1.463,1141 4.095,1142 4.13,1143 4.053,1144 4.016,1145 7.428,1146 4.021,1147 3.959,1148 3.995,1149 3.894,1150 3.88,1151 4.983,1152 3.878,1153 3.792,1154 3.859,1155 3.685,1156 3.637,1157 4.748,1158 3.634,1159 3.744,1160 3.793,1161 3.637,1162 3.593,1163 4.44,1164 3.599,1165 3.518,1166 3.572,1167 3.413,1168 3.415,1169 4.285,1170 3.407,1171 3.352,1172 3.427,1173 3.201,1174 3.199,1175 4.264,1176 3.189,1177 3.129,1178 3.206,1179 3.005,1180 2.954,1181 3.982,1182 2.943,1183 3.111,1184 3.198,1185 2.926,1186 2.941,1187 3.891,1188 2.91,1189 0.13,1190 0.113,1191 0.202,1192 0.123,1193 0.094,1194 4.551,1195 0.128,1196 3.943,1197 0.054,1198 7.058,1199 0.325,1200 4.297,1201 0.094,1202 3.293,1203 4.474,1204 1.907,1205 11.369,1206 3.302,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.935,1214 1.904,1215 2.06,1216 2.045,1217 1.24,1218 2.051,1219 1.762,1220 1.709,1221 1.979,1222 1.958,1223 1.183,1224 1.963,1225 1.728,1226 1.664,1227 1.93,1228 1.889,1229 1.14,1230 1.911,1231 1.522,1232 1.474,1233 1.733,1234 1.667,1235 0.869,1236 1.691,1237 1.357,1238 1.287,1239 1.628,1240 1.554,1241 0.825,1242 1.582,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.802,1248 1.429,1249 1.112,1250 1.04,1251 1.424,1252 1.339,1253 0.48,1254 1.35,1255 4.263,1257 5.602,1259 7.128,1261 8.736,1263 10.385,1265 7.837,1271 6.16,1272 3.038,1276 5.017,1277 -0.394,1280 39.702,1281 89.574,1282 213.468,1283 289.142,1284 332.891,1285 336.891,1286 336.891,1287 54.275,1288 8.027,1289 48.47,1290 48.47,1291 24,1292 12.616,1293 4.248,1294 3.392,1295 52.321,1296 165,1297 136,1298 0.154,1299 245.017,1300 422.55,1301 589.601,1302 39802,1304 22.717,1305 0.71,1306 0.615,1307 22.717,1308 19.689,1309 15.292,1310 0.437,1311 0.33,1312 11.43,1313 14.892,1314 10.949,1315 9.159,1316 15.292,1317 11.536,1318 14.697,1319 0.294,1320 0.196,1321 14.697,1322 9.78,1323 11.503,1324 0.186,1325 0.099,1326 11.503,1327 6.144,1328 8.941,1329 0.116,1330 0.054,1331 8.941,1332 4.139,1333 7.662,1334 0.076,1335 0.031,1336 7.662,1337 3.092,1338 0.251,1339 94.332,1340 0.208,1341 30.547,1342 0.397,1343 170,1344 389.004,1345 180.818,1346 387.524,1347 539.58,1348 364,1349 197,1350 404.636,1351 209.04,1352 417.284,1353 604.95,1354 391,1355 9.5} {0 CHEMBL1632210,1 1.374,2 15.5,3 5.108,4 26.09,5 137.672,6 7.041,7 0.605,8 4.239,9 4.366,10 3.774,11 3.828,12 5.268,13 3.787,14 4.781,15 4.965,16 4.114,17 4.22,18 5.76,19 4.157,20 5.062,21 5.284,22 4.169,23 4.38,24 5.983,25 4.282,26 5.13,27 5.37,28 4.088,29 4.375,30 6.019,31 4.244,32 5.151,33 5.413,34 4.034,35 4.348,36 6.002,37 4.211,38 5.078,39 5.333,40 3.955,41 4.303,42 5.912,43 4.156,44 5.026,45 5.292,46 3.836,47 4.219,48 5.823,49 4.062,50 4.909,51 5.171,52 3.703,53 4.109,54 5.69,55 3.944,56 0.053,57 0.917,58 13.647,59 5.838,60 8.98,61 8.051,62 0.222,63 1.54,64 25.213,65 9.51,66 23.211,67 13.534,68 0.31,69 1.957,70 34.827,71 12.775,72 36.704,73 18.224,74 0.277,75 1.994,76 37.873,77 14.796,78 43.589,79 20.948,80 0.33,81 1.997,82 39.69,83 14.833,84 48.033,85 21.175,86 0.294,87 1.889,88 36.372,89 13.971,90 40.046,91 19.996,92 0.304,93 1.776,94 34.942,95 13.239,96 39.306,97 19.015,98 0.274,99 1.573,100 30.868,101 11.926,102 32.234,103 17.181,104 5,105 52,106 0.217,107 0.506,108 0.669,109 0.828,110 0.857,111 0.857,112 3.56,113 0.943,114 -5,115 -4.9,116 -4.6,119 45.3,120 1,121 1,125 5,140 14,141 3,142 2,144 2,156 1,169 15,172 8,174 1,176 3,178 17,181 1,182 7,186 4,189 10,192 1,193 9,197 4,199 8,203 7,208 1,211 8,215 7,218 1,222 11,225 1,226 4,233 12,236 1,237 2,244 10,249 5,252 1,256 10,259 2104,260 23.447,261 23.447,262 23.447,263 23.447,264 23.447,265 20.593,266 25.439,267 14.027,268 23.769,269 18.803,270 18.803,271 18.803,272 18.803,273 18.803,274 14.557,275 35.162,276 6.711,277 19.312,278 4.626,279 2.794,280 1.764,281 0.756,282 0.574,283 0.574,284 4.272,289 1,290 1168,291 3.24,295 553.39,299 168.227,302 2.412,303 19.307,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 71,315 527,316 4.551,317 3.571,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.195,326 3.28,327 6.054,328 3.847,329 2.851,330 3.743,331 0.8,332 8.719,333 2.836,334 4.018,335 2.918,336 5.808,337 3.645,338 2.673,339 3.601,340 0.8,341 8.005,342 2.626,343 3.855,344 2.79,345 5.585,346 3.562,347 2.6,348 3.249,350 7.658,351 2.465,352 3.544,353 2.623,354 5.324,355 3.309,356 2.37,357 2.743,359 6.885,360 2.227,361 3.415,362 2.284,363 4.99,364 3.065,365 2.088,366 2.701,368 5.935,369 2.036,370 3.315,371 2.231,372 4.949,373 2.973,374 2.009,375 2.49,377 5.716,378 1.93,379 3.16,380 2.145,381 4.558,382 2.707,383 1.696,384 2.385,386 4.491,387 1.709,388 3.027,389 1.651,390 4.177,391 2.573,392 1.596,393 2.241,395 3.9,396 1.558,397 2.777,398 1.476,399 4.036,400 2.399,401 1.418,402 1.849,404 3.465,405 1.386,406 2.684,407 1.324,408 3.52,409 2.227,410 1.233,411 1.762,413 2.714,414 1.224,415 2.534,416 1.279,417 3.421,418 2.017,419 1,420 1.5,422 2.384,423 1.01,424 2.5,425 1.146,426 3.414,427 2,428 1,429 1.474,431 2.275,432 1,433 2.257,434 1,435 3.372,436 1.967,437 1,438 1.168,440 2.136,441 0.965,442 2,443 0.912,444 3.247,445 1.839,446 0.859,447 1,449 2.035,450 0.84,451 16.433,452 0.483,453 0.691,454 0.02,455 46.25,456 1.36,457 24.5,458 0.721,459 21.75,460 0.64,461 28.105,462 0.827,463 35.167,464 0.549,465 34.339,466 1.01,467 9.191,468 0.27,469 7.462,470 0.219,471 0.051,473 0.292,479 0.782,480 1.287,481 0.831,482 1.044,483 0.595,484 0.955,485 0.999,486 1.15,487 0.956,488 0.976,489 0.569,490 0.954,491 1.209,492 1.029,493 1.075,494 0.992,495 0.871,496 1.007,497 0.985,498 1.122,499 1.037,500 1.121,501 0.978,502 1.092,503 1.175,504 0.945,505 0.987,506 0.935,507 1.176,508 0.944,509 0.951,510 1.013,511 1.056,512 1.046,513 0.914,514 1.057,515 0.997,516 0.964,517 1.06,518 1.003,519 0.967,520 1.031,521 0.836,522 1.039,523 1.082,524 1.078,525 0.817,526 1.098,527 6,528 0.145,529 3.333,530 1.813,531 1.702,532 0.875,533 0.566,534 0.411,535 0.205,536 0.208,537 20502,538 45910,539 2.163,540 46.9,542 24,545 1,546 3,547 2,550 1.753,551 2.082,552 3.884,553 -0.45,559 87.912,560 1.374,561 3.206,562 4.236,563 5.244,564 5.426,565 5.426,566 3.352,567 4.712,568 5.061,569 4.075,570 2286,571 8.833,572 37373,577 384,578 1.166,579 5.043,580 0.158,581 0.005,582 0.064,583 0.034,584 0.036,585 0.019,586 0.014,587 0.011,588 0.007,589 0.007,590 0.356,591 0.33,592 0.88,593 0.39,594 186.956,595 0.015,596 -0.152,597 0.066,598 -0.033,599 -0.015,600 0.011,601 0.019,602 -0.032,603 -0.005,604 -0.01,605 0.081,606 -0.009,607 -0.107,608 0.038,609 -0.096,610 -0.034,611 -0.006,612 -0.056,613 0.013,614 -0.141,615 -0.057,616 -0.133,617 0.057,618 -0.107,619 -0.076,620 0.022,621 0.015,622 0.042,623 -0.032,624 0.038,625 -0.035,626 -0.032,627 -0.073,628 -0.065,629 -0.065,630 -0.071,631 -0.057,632 0.007,633 -0.068,634 -0.025,635 -0.1,636 -0.045,637 0.015,638 -0.076,639 -0.1,640 -0.092,641 -0.057,642 -0.105,643 1.743,644 5.449,645 0.824,646 41.28,647 0.988,648 1.119,649 3.771,650 14.217,651 0.678,652 3.664,653 3.97,654 4.234,655 4.489,656 4.736,657 4.745,658 4.868,659 4.977,660 5.075,661 5.118,662 8.924,663 0.635,664 450.63,665 3.664,666 5.198,667 6.043,668 6.909,669 7.766,670 8.636,671 9.499,672 10.371,673 11.237,674 12.111,675 6.3,678 1,681 1,682 1,685 1,687 2,688 14,689 1,693 5,695 23,702 1,709 1,714 64,716 24,717 3,718 38,720 68,721 29,722 21,723 6,724 12,725 1,730 5,731 6,736 1,743 1,745 22,746 7,750 1,755 1,759 1,764 30,765 5,766 1,767 5,773 4,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,827 34,833 6,834 1,838 2,847 1.6,850 1,854 16.333,855 11.683,856 7.444,857 3.962,858 4.299,859 1.513,860 1.018,861 6.778,862 12.683,863 3.942,864 4.527,865 5.1,866 5.671,867 6.222,868 6.382,869 6.71,870 7.019,871 7.321,872 7.299,873 1,874 53,875 12.585,877 5.31,878 7.525,879 24.704,881 20.559,883 2.025,884 68.833,888 341.362,889 178.619,890 41.045,892 25.145,895 178.619,896 366.507,897 41.045,898 8.825,899 31.074,900 132.667,901 46.635,902 25.607,904 341.362,906 341.362,907 219.664,908 25.145,911 317.82,912 48.687,915 47.924,916 154.954,917 16.786,919 341.362,920 66.19,921 178.619,924 341.362,925 37.126,926 147.741,927 18.011,928 41.93,929 341.362,930 66.19,931 178.619,933 0.576,934 0.334,935 0.183,936 0.103,937 25,938 10,939 0.088,940 6,941 1,942 1.071,943 4.702,944 310.599,945 0.071,946 28,947 160.219,951 22.43,952 10.274,953 5.425,954 2.301,955 66.19,956 28.229,957 4.688,961 5.09,963 18.011,964 586.171,965 50.5,970 12.449,974 -0.076,975 63.221,976 71.6,977 0.229,978 0.534,979 0.706,980 0.874,981 0.904,982 0.904,983 5.163,984 1.696,985 6.004,986 5.716,987 4.654,988 5.215,989 1.641,990 6.777,991 4.602,992 6.348,993 1.596,994 7.533,995 4.491,996 4.111,997 4.89,998 0.57,999 7.582,1000 4.022,1001 7.636,1002 1.418,1003 9.161,1004 3.9,1005 6.209,1006 7.387,1007 1.488,1008 10.679,1009 6.101,1010 8.957,1011 1.233,1012 10.849,1013 3.465,1014 6.494,1015 7.916,1016 0.479,1017 12.349,1018 6.353,1019 10.311,1020 1,1021 12.577,1022 2.714,1023 8.029,1024 9.868,1025 1.47,1026 14.951,1027 7.87,1028 11.689,1029 1,1030 14.333,1031 2.384,1032 8.719,1033 10.839,1034 0.346,1035 17.002,1036 8.532,1037 13.086,1038 1,1039 16.111,1040 2.275,1041 10.008,1042 12.54,1043 1.501,1044 19.441,1045 9.801,1046 3.139,1047 0.859,1048 17.906,1049 2.136,1050 10.905,1051 13.754,1052 0.237,1053 21.667,1054 10.673,1055 2.851,1056 10.856,1057 19.715,1058 2.035,1059 12.085,1060 15.335,1061 1.556,1062 24.055,1063 11.831,1064 2.673,1065 8.719,1066 21.535,1067 4.474,1068 13.089,1069 16.68,1070 0.158,1071 26.362,1072 12.81,1073 2.6,1074 8.005,1075 23.365,1076 3.743,1077 14.224,1078 18.206,1079 1.626,1080 28.737,1081 13.921,1082 2.37,1083 7.658,1084 25.204,1085 3.601,1086 15.284,1087 19.62,1088 0.104,1089 31.082,1090 14.954,1091 2.088,1092 6.885,1093 27.05,1094 3.249,1095 16.403,1096 21.123,1097 1.706,1098 33.457,1099 16.049,1100 2.009,1101 5.935,1102 28.903,1103 2.743,1104 17.492,1105 22.575,1106 0.068,1107 35.821,1108 17.11,1109 18846,1110 28339,1111 26.235,1112 43.375,1113 56.668,1114 57.404,1115 57.09,1116 56.347,1117 56.307,1118 74.154,1119 5.317,1120 157.355,1121 54.933,1122 5.551,1123 5.571,1124 6.497,1125 5.176,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 11.526,1132 1.491,1133 1.511,1134 1.502,1135 1.483,1136 1.482,1137 1.951,1138 0.14,1139 4.141,1140 1.446,1141 4.096,1142 4.13,1143 4.054,1144 4.017,1145 7.429,1146 4.022,1147 3.974,1148 4.005,1149 3.915,1150 3.897,1151 4.984,1152 3.897,1153 3.877,1154 3.911,1155 3.806,1156 3.817,1157 4.766,1158 3.81,1159 3.777,1160 3.842,1161 3.671,1162 3.595,1163 4.705,1164 3.604,1165 3.519,1166 3.573,1167 3.416,1168 3.415,1169 4.44,1170 3.407,1171 3.385,1172 3.448,1173 3.285,1174 3.216,1175 4.285,1176 3.216,1177 3.262,1178 3.309,1179 3.147,1180 3.065,1181 3.991,1182 3.085,1183 3.111,1184 3.206,1185 2.938,1186 2.951,1187 3.921,1188 2.937,1189 0.12,1190 0.094,1191 0.176,1192 0.108,1193 0.083,1194 4.551,1195 0.118,1196 3.571,1197 0.028,1198 6.695,1199 0.286,1200 4.108,1201 0.08,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.944,1214 1.916,1215 2.061,1216 2.049,1217 1.238,1218 2.054,1219 1.883,1220 1.856,1221 2.01,1222 1.982,1223 1.148,1224 1.991,1225 1.739,1226 1.671,1227 1.933,1228 1.925,1229 1.072,1230 1.935,1231 1.523,1232 1.474,1233 1.734,1234 1.669,1235 0.871,1236 1.692,1237 1.367,1238 1.302,1239 1.63,1240 1.569,1241 0.825,1242 1.59,1243 1.184,1244 1.146,1245 1.513,1246 1.43,1247 0.802,1248 1.429,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.408,1255 4.344,1257 5.652,1259 7.162,1261 8.759,1263 10.4,1265 2.039,1271 6.091,1272 3.014,1276 5.009,1280 40.649,1281 87.912,1282 205.181,1283 271.113,1284 335.635,1285 347.245,1286 347.245,1287 47.812,1288 8.384,1289 48.47,1290 48.47,1291 30,1292 12.653,1293 4.644,1294 3.755,1295 50.446,1296 187,1297 166,1298 0.129,1299 248.026,1300 425.97,1301 596.944,1302 65571,1304 23.33,1305 0.686,1306 0.576,1307 23.33,1308 19.575,1309 16.653,1310 0.438,1311 0.314,1312 11.84,1313 16.25,1314 11.535,1315 9.552,1316 16.653,1317 11.946,1318 14.805,1319 0.285,1320 0.171,1321 14.805,1322 8.896,1323 12.497,1324 0.184,1325 0.096,1326 12.497,1327 6.499,1328 10.509,1329 0.119,1330 0.052,1331 10.509,1332 4.613,1333 8.768,1334 0.078,1335 0.03,1336 8.768,1337 3.336,1338 0.212,1339 102.499,1340 0.195,1341 32.286,1342 0.331,1343 180,1344 431.004,1345 190.818,1346 430.043,1347 602.87,1348 406,1349 210,1350 452.636,1351 221.541,1352 464.191,1353 676.39,1354 439,1355 9.5} {0 CHEMBL1632211,1 1.472,2 15.6,3 5.313,4 28.231,5 137.888,6 7.322,7 0.59,8 4.246,9 4.37,10 3.807,11 3.827,12 5.319,13 3.796,14 4.79,15 4.97,16 4.162,17 4.219,18 5.831,19 4.169,20 5.074,21 5.291,22 4.238,23 4.378,24 6.084,25 4.3,26 5.146,27 5.379,28 4.177,29 4.373,30 6.224,31 4.261,32 5.159,33 5.418,34 4.065,35 4.347,36 6.06,37 4.22,38 5.085,39 5.336,40 4.011,41 4.301,42 5.98,43 4.168,44 5.039,45 5.299,46 3.904,47 4.217,48 5.93,49 4.079,50 4.92,51 5.177,52 3.777,53 4.107,54 5.786,55 3.961,56 0.026,57 0.989,58 12.985,59 5.871,60 7.046,61 7.765,62 0.195,63 1.642,64 24.615,65 9.559,66 21.691,67 13.088,68 0.32,69 2.105,70 34.877,71 12.854,72 40.769,73 17.537,74 0.499,75 2.161,76 38.718,77 14.862,78 89.368,79 20.412,80 0.382,81 2.065,82 40.36,83 14.874,84 60.086,85 20.756,86 0.292,87 1.949,88 36.565,89 14.001,90 47.487,91 19.7,92 0.356,93 1.888,94 35.779,95 13.302,96 53.521,97 18.464,98 0.297,99 1.662,100 31.42,101 11.974,102 42.033,103 16.771,104 10,105 54,106 0.233,107 0.532,108 0.696,109 0.852,110 0.877,111 0.877,112 3.588,113 0.927,114 -5.37,115 -5.25,116 -4.91,119 45.3,120 1,121 1,125 5,140 13,141 3,142 3,144 2,156 1,169 13,172 8,174 1,176 3,178 15,181 1,182 6,186 3,189 9,192 1,193 9,197 4,199 8,203 7,208 1,211 6,215 7,218 1,222 9,225 1,226 4,233 10,236 1,237 2,244 10,249 4,252 1,256 10,259 2264,260 23.947,261 23.947,262 23.947,263 23.947,264 23.947,265 21.04,266 27.067,267 14.184,268 24.32,269 19.27,270 19.27,271 19.27,272 19.27,273 19.27,274 14.947,275 36.31,276 6.752,277 19.887,278 4.528,279 2.632,280 1.595,281 0.606,282 0.449,283 0.449,284 4.298,289 1,290 1205,291 3.317,295 571.083,299 174.208,302 2.434,303 29.937,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.5,315 546,316 4.551,317 3.62,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.326,326 3.28,327 6.396,328 3.959,329 2.974,330 3.928,331 0.8,332 9.676,333 2.923,334 4.061,335 2.934,336 5.808,337 3.677,338 2.701,339 3.664,340 0.8,341 8.006,342 2.648,343 3.855,344 2.89,345 5.619,346 3.569,347 2.624,348 3.249,350 7.783,351 2.466,352 3.556,353 2.776,354 5.331,355 3.316,356 2.377,357 2.772,359 6.904,360 2.233,361 3.47,362 2.62,363 5.077,364 3.12,365 2.147,366 2.729,368 6.123,369 2.079,370 3.332,371 2.271,372 4.959,373 2.99,374 2.028,375 2.509,377 5.724,378 1.944,379 3.198,380 2.203,381 4.713,382 2.794,383 1.8,384 2.406,386 4.87,387 1.779,388 3.027,389 1.663,390 4.558,391 2.573,392 1.596,393 2.241,395 4.489,396 1.559,397 2.861,398 1.651,399 4.036,400 2.399,401 1.418,402 2.015,404 3.466,405 1.386,406 2.777,407 1.476,408 3.785,409 2.381,410 1.414,411 1.848,413 3.063,414 1.353,415 2.68,416 1.315,417 3.572,418 2.223,419 1.23,420 1.759,422 2.742,423 1.22,424 2.529,425 1.279,426 3.487,427 2.014,428 1,429 1.478,431 2.437,432 1.009,433 2.257,434 1.146,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 0.912,444 3.372,445 1.839,446 0.859,447 1,449 2.035,450 0.84,451 16.719,452 0.478,453 0.78,454 0.022,455 47,456 1.343,457 24.5,458 0.7,459 22.5,460 0.643,461 29.568,462 0.845,463 36.681,464 0.573,465 36.328,466 1.038,467 9.41,468 0.269,469 7.653,470 0.219,471 0.067,473 0.317,477 1,479 0.643,480 1.176,481 0.777,482 1.043,483 0.525,484 0.948,485 0.799,486 1.084,487 0.894,488 0.977,489 0.532,490 0.943,491 1.049,492 1.026,493 1.035,494 0.993,495 0.835,496 0.997,497 0.806,498 1.043,499 1.006,500 1.117,501 0.783,502 1.098,503 0.945,504 0.863,505 0.989,506 0.931,507 0.909,508 0.957,509 0.711,510 0.931,511 0.994,512 1.044,513 0.637,514 1.055,515 0.953,516 0.945,517 1.057,518 1.002,519 0.915,520 1.036,521 0.787,522 0.999,523 1.05,524 1.077,525 0.759,526 1.098,527 6.5,528 0.178,529 3.778,530 2.25,531 1.813,532 0.986,533 0.607,534 0.465,535 0.25,536 0.208,537 21911,538 54349,539 2.141,540 45.3,542 23,545 1,546 3,547 2,550 1.76,551 2.039,552 3.883,553 -0.43,559 94.237,560 1.472,561 3.368,562 4.405,563 5.394,564 5.551,565 5.551,566 3.351,567 4.672,568 5.104,569 4.092,570 2434.57,571 8.918,572 40685.2,577 384,578 1.271,579 5.076,580 0.167,581 0.006,582 0.07,583 0.04,584 0.036,585 0.021,586 0.014,587 0.012,588 0.008,589 0.007,590 0.382,591 0.33,592 0.75,593 0.45,594 194.104,595 -0.008,596 -0.13,597 0.057,598 -0.032,599 -0.021,600 0.01,601 -0.003,602 -0.058,603 0.011,604 -0.012,605 0.055,607 -0.089,608 -0.006,609 -0.077,610 -0.036,611 -0.007,612 -0.047,613 0.16,614 -0.072,615 -0.031,616 -0.13,617 0.201,618 -0.113,619 -0.074,620 0.02,621 -0.001,622 0.042,623 -0.044,624 0.035,625 -0.006,626 -0.061,627 -0.035,628 -0.067,629 0.002,630 -0.058,631 -0.061,632 -0.009,633 -0.067,634 -0.026,635 -0.067,636 -0.044,637 0.004,638 -0.09,639 -0.075,640 -0.093,641 -0.024,642 -0.097,643 2.185,644 5.905,645 0.8,646 42.859,647 0.996,648 1.124,649 4.135,650 17.101,651 0.677,652 3.689,653 4.007,654 4.277,655 4.533,656 4.762,657 4.779,658 4.89,659 5.011,660 5.1,661 5.153,662 9.068,663 0.641,664 468.62,665 3.689,666 5.231,667 6.08,668 6.952,669 7.812,670 8.687,671 9.552,672 10.429,673 11.296,674 12.174,675 6.3,678 1,681 1,682 1,685 1,687 2,688 13,689 1,693 6,695 23,702 1,709 1,713 1,714 64,716 24,717 3,718 39,720 68,721 29,722 21,723 7,724 11,725 1,730 5,731 6,736 1,743 1,745 22,746 7,750 1,755 1,759 1,762 1,764 29,765 6,766 1,767 6,773 4,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,825 1,827 35,833 6,834 1,838 2,846 1,847 1.6,850 1,854 17.167,855 11.743,856 7.639,857 3.95,858 4.379,859 1.517,860 1.018,861 6.965,862 12.846,863 3.961,864 4.559,865 5.136,866 5.709,867 6.245,868 6.414,869 6.727,870 7.051,871 7.338,872 7.337,873 1,874 56,875 13.004,877 5.577,878 7.686,879 25.125,881 20.933,883 2.186,884 76.5,888 329.591,889 178.264,890 41.045,892 25.145,893 14.96,895 178.264,896 354.736,897 56.005,898 8.825,899 31.074,900 123.191,901 46.635,902 34.728,903 14.96,904 329.591,906 329.591,907 219.309,908 40.105,911 321.009,912 48.687,915 47.924,916 154.599,917 16.786,919 344.551,920 66.19,921 178.264,924 329.591,925 46.247,926 138.265,927 18.011,928 56.891,929 329.591,930 81.15,931 178.264,933 0.581,934 0.34,935 0.186,936 0.101,937 26,938 11,939 0.088,940 6,941 1,942 1.071,943 4.734,944 324.465,945 0.071,946 28,947 173.525,951 23.32,952 10.453,953 5.466,954 2.257,955 81.15,956 24.445,957 4.674,961 3.654,963 18.011,964 589.004,965 51.5,970 12.43,974 -0.435,975 63.734,976 71.94,977 0.245,978 0.561,979 0.734,980 0.899,981 0.925,982 0.925,983 5.192,984 1.8,985 6.052,986 5.724,987 4.691,988 5.247,989 1.641,990 6.841,991 4.63,992 6.386,993 1.596,994 7.594,995 4.87,996 4.205,997 4.987,998 0.57,999 7.687,1000 4.095,1001 7.683,1002 1.418,1003 9.235,1004 4.489,1005 6.263,1006 7.436,1007 1.488,1008 10.784,1009 6.14,1010 9.013,1011 1.414,1012 10.936,1013 3.466,1014 6.594,1015 8.015,1016 0.479,1017 12.483,1018 6.428,1019 10.375,1020 1.23,1021 12.676,1022 3.063,1023 8.106,1024 9.934,1025 1.47,1026 15.092,1027 7.926,1028 11.761,1029 1,1030 14.445,1031 2.742,1032 8.832,1033 10.941,1034 0.346,1035 17.158,1036 8.617,1037 13.167,1038 1,1039 16.234,1040 2.437,1041 10.108,1042 12.621,1043 1.501,1044 19.601,1045 9.877,1046 3.139,1047 0.859,1048 18.04,1049 2.275,1050 11.031,1051 13.853,1052 0.237,1053 21.83,1054 10.77,1055 2.974,1056 10.856,1057 19.86,1058 2.035,1059 12.207,1060 15.421,1061 1.556,1062 24.217,1063 11.927,1064 2.701,1065 9.676,1066 21.69,1067 4.474,1068 13.228,1069 16.773,1070 0.158,1071 26.519,1072 12.92,1073 2.624,1074 8.006,1075 23.529,1076 3.928,1077 14.363,1078 18.29,1079 1.626,1080 28.889,1081 14.034,1082 2.377,1083 7.783,1084 25.376,1085 3.664,1086 15.432,1087 19.705,1088 0.104,1089 31.226,1090 15.077,1091 2.147,1092 6.904,1093 27.229,1094 3.249,1095 16.554,1096 21.2,1097 1.706,1098 33.593,1099 16.174,1100 2.028,1101 6.123,1102 29.088,1103 2.772,1104 17.648,1105 22.649,1106 0.068,1107 35.947,1108 17.242,1109 20225,1110 32057,1111 26.641,1112 43.313,1113 58.235,1114 59.369,1115 59.402,1116 57.964,1117 57.86,1118 75.877,1119 5.317,1120 163.904,1121 56.114,1122 5.551,1123 5.62,1124 6.38,1125 5.176,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 14.38,1132 1.493,1133 1.522,1134 1.523,1135 1.486,1136 1.484,1137 1.946,1138 0.136,1139 4.203,1140 1.439,1141 4.097,1142 4.131,1143 4.054,1144 4.017,1145 8.201,1146 4.022,1147 3.977,1148 4.007,1149 3.928,1150 3.897,1151 7.429,1152 3.899,1153 3.885,1154 3.917,1155 3.825,1156 3.817,1157 4.983,1158 3.814,1159 3.777,1160 3.842,1161 3.672,1162 3.595,1163 4.751,1164 3.604,1165 3.519,1166 3.573,1167 3.416,1168 3.415,1169 4.618,1170 3.407,1171 3.385,1172 3.448,1173 3.287,1174 3.216,1175 4.44,1176 3.216,1177 3.262,1178 3.309,1179 3.147,1180 3.065,1181 4.285,1182 3.085,1183 3.111,1184 3.206,1185 2.938,1186 2.951,1187 3.991,1188 2.937,1189 0.117,1190 0.093,1191 0.172,1192 0.105,1193 0.08,1194 4.551,1195 0.115,1196 3.62,1197 0.027,1198 6.695,1199 0.278,1200 4.108,1201 0.078,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.942,1214 1.914,1215 2.058,1216 2.049,1217 1.238,1218 2.052,1219 1.876,1220 1.852,1221 1.985,1222 1.983,1223 1.148,1224 1.985,1225 1.739,1226 1.671,1227 1.932,1228 1.926,1229 1.058,1230 1.933,1231 1.523,1232 1.474,1233 1.734,1234 1.669,1235 0.87,1236 1.692,1237 1.367,1238 1.302,1239 1.63,1240 1.569,1241 0.825,1242 1.59,1243 1.184,1244 1.146,1245 1.513,1246 1.43,1247 0.802,1248 1.429,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.408,1255 4.369,1257 5.687,1259 7.204,1261 8.81,1263 10.461,1265 2.025,1267 13.905,1271 5.798,1272 2.815,1276 4.934,1280 41.032,1281 94.237,1282 215.576,1283 281.92,1284 345.245,1285 355.245,1286 355.245,1287 60.623,1288 8.467,1289 48.47,1290 48.47,1291 30,1292 12.714,1293 4.644,1294 3.755,1295 52.671,1296 196,1297 164,1298 0.129,1299 249.224,1300 432.04,1301 599.867,1302 73004,1303 1.6,1304 24.2,1305 0.691,1306 0.568,1307 23.33,1308 19.876,1309 17.064,1310 0.438,1311 0.309,1312 11.921,1313 16.549,1314 11.637,1315 9.61,1316 16.653,1317 12.052,1318 15.332,1319 0.284,1320 0.167,1321 14.805,1322 9.009,1323 12.951,1324 0.182,1325 0.093,1326 12.497,1327 6.581,1328 10.979,1329 0.119,1330 0.051,1331 10.509,1332 4.664,1333 8.906,1334 0.077,1335 0.029,1336 8.768,1337 3.343,1338 0.212,1339 105.829,1340 0.194,1341 33.01,1342 0.33,1343 186,1344 525.115,1345 200.649,1346 492.031,1347 674.84,1348 462,1349 218,1350 496.97,1351 233.033,1352 501.633,1353 733.32,1354 474,1355 9.6} {0 CHEMBL1632212,1 1.472,2 15.629,3 5.313,4 28.231,5 137.888,6 7.322,7 0.59,8 4.246,9 4.37,10 3.807,11 3.827,12 5.319,13 3.796,14 4.79,15 4.97,16 4.162,17 4.219,18 5.839,19 4.169,20 5.074,21 5.291,22 4.218,23 4.378,24 6.075,25 4.296,26 5.139,27 5.375,28 4.139,29 4.374,30 6.088,31 4.257,32 5.161,33 5.418,34 4.1,35 4.347,36 6.167,37 4.221,38 5.084,39 5.337,40 3.986,41 4.301,42 5.958,43 4.164,44 5.033,45 5.295,46 3.899,47 4.217,48 5.898,49 4.075,50 4.924,51 5.18,52 3.78,53 4.107,54 5.811,55 3.963,56 0.026,57 0.989,58 12.985,59 5.871,60 6.935,61 7.765,62 0.195,63 1.642,64 24.615,65 9.559,66 23.492,67 13.088,68 0.34,69 2.091,70 34.937,71 12.853,72 44.74,73 17.53,74 0.279,75 2.09,76 38.086,77 14.846,78 48.551,79 20.49,80 0.559,81 2.08,82 40.522,83 14.852,84 91.673,85 20.959,86 0.312,87 1.936,88 36.625,89 13.999,90 47.6,91 19.693,92 0.312,93 1.831,94 35.31,95 13.265,96 47.853,97 18.745,98 0.319,99 1.69,100 31.655,101 11.992,102 45.304,103 16.63,104 10,105 54,106 0.233,107 0.532,108 0.704,109 0.86,110 0.877,111 0.877,112 3.588,113 0.927,114 -5.37,115 -5.25,116 -4.91,119 45.3,120 1,121 1,125 5,140 13,141 3,142 3,144 2,156 1,169 13,172 8,174 1,176 3,178 15,181 1,182 7,186 4,189 9,192 1,193 8,197 3,199 8,203 7,208 1,211 8,215 7,218 1,222 9,225 1,226 4,233 10,236 1,237 2,244 8,249 5,252 1,256 10,259 2285,260 23.894,261 23.894,262 23.894,263 23.894,264 23.894,265 21.016,266 27.067,267 14.15,268 24.279,269 19.286,270 19.286,271 19.286,272 19.286,273 19.286,274 14.968,275 35.824,276 6.767,277 19.916,278 4.528,279 2.632,280 1.544,281 0.555,282 0.449,283 0.449,284 4.298,289 1,290 1207,291 3.317,295 573.169,299 174.829,302 2.46,303 29.173,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.5,315 547,316 4.551,317 3.577,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.234,326 3.28,327 6.084,328 3.874,329 2.88,330 3.812,331 0.8,332 8.841,333 2.857,334 4.046,335 2.921,336 5.808,337 3.66,338 2.686,339 3.652,340 0.8,341 8.005,342 2.636,343 3.855,344 2.885,345 5.593,346 3.567,347 2.616,348 3.249,350 7.701,351 2.465,352 3.616,353 2.785,354 5.326,355 3.318,356 2.378,357 2.935,359 6.894,360 2.234,361 3.528,362 2.622,363 5.062,364 3.193,365 2.234,366 2.736,368 6.155,369 2.127,370 3.36,371 2.274,372 4.961,373 3.014,374 2.048,375 2.595,377 5.736,378 1.971,379 3.265,380 2.21,381 4.886,382 2.92,383 1.949,384 2.449,386 5.578,387 1.882,388 3.027,389 1.9,390 4.558,391 2.574,392 1.597,393 2.243,395 4.49,396 1.559,397 2.819,398 1.651,399 4.036,400 2.402,401 1.421,402 1.917,404 3.468,405 1.389,406 2.772,407 1.476,408 3.971,409 2.333,410 1.345,411 1.842,413 3.263,414 1.316,415 2.671,416 1.279,417 3.502,418 2.202,419 1.207,420 1.747,422 2.645,423 1.198,424 2.528,425 1.192,426 3.459,427 2.014,428 1,429 1.478,431 2.41,432 1.009,433 2.257,434 1.146,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 0.912,444 3.372,445 1.839,446 0.859,447 1,449 2.035,450 0.84,451 16.719,452 0.478,453 0.797,454 0.023,455 47,456 1.343,457 24.5,458 0.7,459 22.5,460 0.643,461 29.47,462 0.842,463 36.681,464 0.573,465 36.205,466 1.034,467 9.395,468 0.268,469 7.652,470 0.219,471 0.067,473 0.317,477 1,479 0.643,480 1.176,481 0.777,482 1.043,483 0.527,484 0.948,485 0.799,486 1.084,487 0.894,488 0.977,489 0.515,490 0.943,491 1.072,492 0.997,493 1.071,494 0.99,495 0.86,496 1.011,497 0.818,498 1.037,499 1.003,500 1.118,501 0.788,502 1.095,503 0.75,504 0.826,505 0.938,506 0.93,507 0.708,508 0.954,509 0.734,510 0.902,511 1.029,512 1.042,513 0.682,514 1.069,515 0.746,516 0.896,517 0.997,518 1.002,519 0.673,520 1.028,521 0.903,522 1.026,523 1.084,524 1.077,525 0.886,526 1.102,527 7,528 0.145,529 3.556,530 2,531 1.973,532 0.875,533 0.647,534 0.443,535 0.25,536 0.244,537 22039,538 55101,539 2.141,540 45.3,542 23,545 1,546 3,547 2,550 1.76,551 2.039,552 3.9,553 -0.43,559 94.237,560 1.472,561 3.368,562 4.456,563 5.445,564 5.551,565 5.551,566 3.365,567 4.672,568 5.103,569 4.106,570 2443.17,571 8.917,572 40930.2,577 384,578 1.271,579 5.076,580 0.179,581 0.005,582 0.066,583 0.036,584 0.04,585 0.019,586 0.015,587 0.012,588 0.008,589 0.008,590 0.388,591 0.33,592 0.75,593 0.45,594 194.303,595 -0.008,596 -0.13,597 0.057,598 -0.032,599 -0.022,600 0.01,601 -0.003,602 -0.058,603 0.011,604 -0.012,605 0.072,607 -0.113,608 0.024,609 -0.114,610 -0.033,611 -0.031,612 -0.061,613 -0.002,614 -0.133,615 -0.044,616 -0.133,617 0.024,618 -0.103,619 0.124,620 0.058,621 0.05,622 0.043,623 0.16,624 0.038,625 -0.029,626 -0.032,627 -0.07,628 -0.064,629 -0.043,630 -0.072,631 -0.017,632 -0.034,633 -0.024,634 -0.028,635 -0.012,636 -0.029,637 -0.021,638 -0.076,639 -0.099,640 -0.092,641 -0.045,642 -0.106,643 2.085,644 5.434,645 0.8,646 43.51,647 0.996,648 1.124,649 4.135,650 17.101,651 0.677,652 3.689,653 4.007,654 4.263,655 4.522,656 4.771,657 4.779,658 4.898,659 4.997,660 5.106,661 5.147,662 9.129,663 0.641,664 468.62,665 3.689,666 5.231,667 6.075,668 6.946,669 7.803,670 8.676,671 9.539,672 10.413,673 11.28,674 12.155,675 6.3,678 1,681 1,682 1,685 1,687 2,688 13,689 1,693 6,695 23,702 1,709 1,713 1,714 64,716 24,717 3,718 39,720 68,721 29,722 21,723 7,724 11,725 1,730 5,731 6,736 1,743 1,745 22,746 7,750 1,755 1,759 1,762 1,764 29,765 6,766 1,767 6,773 4,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,825 1,827 35,833 6,834 1,838 2,846 1,847 1.6,850 1,854 17.167,855 11.743,856 7.611,857 3.943,858 4.349,859 1.514,860 1.018,861 6.965,862 12.816,863 3.961,864 4.559,865 5.127,866 5.701,867 6.255,868 6.419,869 6.736,870 7.033,871 7.344,872 7.333,873 1,874 55,875 12.988,877 5.554,878 7.686,879 25.125,881 20.928,883 2.186,884 76.5,888 329.591,889 178.264,890 41.045,892 25.145,893 14.96,895 178.264,896 354.736,897 56.005,898 8.825,899 31.074,900 123.191,901 46.635,902 34.728,903 14.96,904 329.591,906 329.591,907 219.309,908 40.105,911 321.009,912 48.687,915 47.924,916 154.599,917 16.786,919 344.551,920 66.19,921 178.264,924 329.591,925 46.247,926 138.265,927 18.011,928 56.891,929 329.591,930 81.15,931 178.264,933 0.581,934 0.334,935 0.182,936 0.103,937 26,938 11,939 0.088,940 6,941 1,942 1.071,943 4.75,944 323.395,945 0.071,946 28,947 173.525,951 23.32,952 10.453,953 5.631,954 2.262,955 81.15,956 24.243,957 4.675,961 4.082,963 18.011,964 589.004,965 51.5,970 12.434,974 -0.309,975 63.734,976 71.94,977 0.245,978 0.561,979 0.743,980 0.908,981 0.925,982 0.925,983 5.192,984 1.949,985 6.047,986 5.736,987 4.691,988 5.247,989 1.641,990 6.825,991 4.63,992 6.386,993 1.597,994 7.582,995 5.578,996 4.205,997 4.987,998 0.57,999 7.636,1000 4.095,1001 7.681,1002 1.421,1003 9.213,1004 4.49,1005 6.256,1006 7.431,1007 1.488,1008 10.724,1009 6.134,1010 9.007,1011 1.345,1012 10.9,1013 3.468,1014 6.567,1015 7.993,1016 0.479,1017 12.381,1018 6.405,1019 10.365,1020 1.207,1021 12.626,1022 3.263,1023 8.078,1024 9.915,1025 1.47,1026 14.984,1027 7.904,1028 11.744,1029 1,1030 14.379,1031 2.645,1032 8.779,1033 10.902,1034 0.346,1035 17.025,1036 8.574,1037 13.143,1038 1,1039 16.153,1040 2.41,1041 10.055,1042 12.587,1043 1.501,1044 19.465,1045 9.834,1046 3.139,1047 0.859,1048 17.944,1049 2.275,1050 10.957,1051 13.806,1052 0.237,1053 21.685,1054 10.709,1055 2.88,1056 10.856,1057 19.749,1058 2.035,1059 12.131,1060 15.378,1061 1.556,1062 24.073,1063 11.863,1064 2.686,1065 8.841,1066 21.565,1067 4.474,1068 13.136,1069 16.723,1070 0.158,1071 26.376,1072 12.843,1073 2.616,1074 8.005,1075 23.393,1076 3.812,1077 14.268,1078 18.243,1079 1.626,1080 28.751,1081 13.953,1082 2.378,1083 7.701,1084 25.229,1085 3.652,1086 15.327,1087 19.656,1088 0.104,1089 31.094,1090 14.987,1091 2.234,1092 6.894,1093 27.072,1094 3.249,1095 16.444,1096 21.154,1097 1.706,1098 33.467,1099 16.081,1100 2.048,1101 6.155,1102 28.923,1103 2.935,1104 17.533,1105 22.604,1106 0.068,1107 35.829,1108 17.142,1109 20344,1110 32374,1111 26.641,1112 43.313,1113 58.337,1114 59.212,1115 59.212,1116 58.071,1117 57.967,1118 75.989,1119 5.317,1120 163.714,1121 56.204,1122 5.551,1123 5.577,1124 6.251,1125 5.176,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 14.494,1132 1.496,1133 1.518,1134 1.518,1135 1.489,1136 1.486,1137 1.948,1138 0.136,1139 4.198,1140 1.441,1141 4.097,1142 4.131,1143 4.054,1144 4.017,1145 8.201,1146 4.022,1147 3.977,1148 4.007,1149 3.925,1150 3.897,1151 7.429,1152 3.898,1153 3.885,1154 3.917,1155 3.824,1156 3.817,1157 4.983,1158 3.814,1159 3.777,1160 3.842,1161 3.672,1162 3.595,1163 4.751,1164 3.604,1165 3.519,1166 3.574,1167 3.416,1168 3.415,1169 4.6,1170 3.407,1171 3.388,1172 3.449,1173 3.302,1174 3.216,1175 4.44,1176 3.217,1177 3.267,1178 3.313,1179 3.154,1180 3.064,1181 4.285,1182 3.088,1183 3.111,1184 3.206,1185 2.938,1186 2.951,1187 3.989,1188 2.937,1189 0.117,1190 0.092,1191 0.172,1192 0.105,1193 0.08,1194 4.551,1195 0.115,1196 3.577,1197 0.027,1198 6.695,1199 0.278,1200 4.108,1201 0.078,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.942,1214 1.915,1215 2.059,1216 2.049,1217 1.238,1218 2.053,1219 1.876,1220 1.852,1221 1.985,1222 1.983,1223 1.148,1224 1.985,1225 1.739,1226 1.671,1227 1.932,1228 1.926,1229 1.059,1230 1.933,1231 1.523,1232 1.474,1233 1.734,1234 1.669,1235 0.87,1236 1.692,1237 1.367,1238 1.301,1239 1.629,1240 1.57,1241 0.825,1242 1.59,1243 1.18,1244 1.143,1245 1.513,1246 1.431,1247 0.802,1248 1.429,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.404,1255 4.369,1257 5.687,1259 7.2,1261 8.8,1263 10.444,1265 2.027,1267 13.421,1271 5.845,1272 2.875,1276 4.945,1280 41.032,1281 94.237,1282 215.576,1283 285.165,1284 348.49,1285 355.245,1286 355.245,1287 59.006,1288 8.467,1289 48.47,1290 48.47,1291 30,1292 12.696,1293 4.644,1294 3.755,1295 52.676,1296 197,1297 164,1298 0.128,1299 249.224,1300 432.04,1301 599.867,1302 73004,1303 1.6,1304 24.2,1305 0.691,1306 0.568,1307 23.33,1308 19.876,1309 17.047,1310 0.437,1311 0.309,1312 11.915,1313 16.525,1314 11.628,1315 9.602,1316 16.653,1317 12.046,1318 15.439,1319 0.286,1320 0.167,1321 14.805,1322 9.04,1323 12.824,1324 0.183,1325 0.094,1326 12.497,1327 6.549,1328 10.804,1329 0.119,1330 0.051,1331 10.509,1332 4.654,1333 9.043,1334 0.077,1335 0.029,1336 8.768,1337 3.355,1338 0.211,1339 105.728,1340 0.194,1341 33.05,1342 0.327,1343 186,1344 525.115,1345 200.649,1346 492.2,1347 674.24,1348 462,1349 217,1350 495.97,1351 231.451,1352 500.838,1353 729.94,1354 473,1355 9.5} {0 CHEMBL1632213,1 1.472,2 16.171,3 5.313,4 28.231,5 137.888,6 7.322,7 0.59,8 4.246,9 4.37,10 3.807,11 3.827,12 5.319,13 3.796,14 4.79,15 4.97,16 4.162,17 4.219,18 5.839,19 4.169,20 5.074,21 5.291,22 4.218,23 4.378,24 6.081,25 4.296,26 5.139,27 5.375,28 4.117,29 4.374,30 6.079,31 4.253,32 5.154,33 5.414,34 4.06,35 4.347,36 6.023,37 4.217,38 5.086,39 5.337,40 4.025,41 4.302,42 6.075,43 4.165,44 5.033,45 5.296,46 3.87,47 4.218,48 5.873,49 4.07,50 4.916,51 5.175,52 3.775,53 4.107,54 5.774,55 3.959,56 0.026,57 0.989,58 12.985,59 5.871,60 6.935,61 7.765,62 0.195,63 1.642,64 24.615,65 9.559,66 23.381,67 13.088,68 0.34,69 2.091,70 34.937,71 12.853,72 46.542,73 17.53,74 0.299,75 2.076,76 38.147,77 14.845,78 52.522,79 20.483,80 0.338,81 2.008,82 39.89,83 14.837,84 50.857,85 21.037,86 0.489,87 1.951,88 36.788,89 13.977,90 79.187,91 19.897,92 0.332,93 1.817,94 35.37,95 13.264,96 47.967,97 18.738,98 0.275,99 1.634,100 31.185,101 11.955,102 39.636,103 16.911,104 10,105 54,106 0.233,107 0.532,108 0.701,109 0.847,110 0.857,111 0.857,112 3.588,113 0.927,114 -5.37,115 -5.25,116 -4.91,119 45.3,120 1,121 1,125 5,140 13,141 3,142 3,144 2,156 1,169 13,172 8,174 1,176 3,178 15,181 1,182 7,186 4,189 9,192 1,193 9,197 4,199 8,203 6,211 8,215 7,218 1,222 11,225 1,226 4,233 10,236 1,237 2,244 8,249 5,252 1,256 8,259 2306,260 23.894,261 23.894,262 23.894,263 23.894,264 23.894,265 21.016,266 27.067,267 14.114,268 24.279,269 19.269,270 19.269,271 19.269,272 19.269,273 19.269,274 14.962,275 35.824,276 6.748,277 19.904,278 4.528,279 2.632,280 1.564,281 0.637,282 0.574,283 0.574,284 4.298,289 1,290 1250,291 3.317,295 575.545,299 175.502,302 2.509,303 28.724,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.5,315 566,316 4.551,317 3.573,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.217,326 3.28,327 6.061,328 3.86,329 2.866,330 3.788,331 0.8,332 8.742,333 2.847,334 4.04,335 2.92,336 5.808,337 3.655,338 2.681,339 3.646,340 0.8,341 8.005,342 2.632,343 3.855,344 2.884,345 5.588,346 3.565,347 2.612,348 3.249,350 7.671,351 2.465,352 3.662,353 2.788,354 5.325,355 3.319,356 2.379,357 3.017,359 6.889,360 2.236,361 3.535,362 2.622,363 5.054,364 3.229,365 2.276,366 2.737,368 6.138,369 2.151,370 3.368,371 2.275,372 4.966,373 3.024,374 2.057,375 2.613,377 5.782,378 1.984,379 3.275,380 2.212,381 4.924,382 2.938,383 1.97,384 2.453,386 5.694,387 1.898,388 3.028,389 1.96,390 4.558,391 2.575,392 1.598,393 2.243,395 4.491,396 1.559,397 2.799,398 1.651,399 4.038,400 2.402,401 1.421,402 1.872,404 3.469,405 1.39,406 2.762,407 1.476,408 4.015,409 2.31,410 1.315,411 1.817,413 3.322,414 1.297,415 2.645,416 1.279,417 3.497,418 2.149,419 1.141,420 1.669,422 2.603,423 1.142,424 2.5,425 1.146,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.257,434 1,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 0.912,444 3.372,445 1.839,446 0.859,447 1,449 2.036,450 0.84,451 16.719,452 0.478,453 0.797,454 0.023,455 47,456 1.343,457 24.5,458 0.7,459 22.5,460 0.643,461 29.396,462 0.84,463 36.681,464 0.573,465 36.112,466 1.032,467 9.395,468 0.268,469 7.652,470 0.219,471 0.067,473 0.317,477 1,479 0.643,480 1.176,481 0.777,482 1.043,483 0.527,484 0.948,485 0.799,486 1.084,487 0.894,488 0.977,489 0.516,490 0.943,491 1.072,492 0.997,493 1.071,494 0.99,495 0.848,496 1.011,497 0.839,498 1.01,499 1.037,500 1.116,501 0.81,502 1.108,503 0.761,504 0.82,505 0.936,506 0.931,507 0.712,508 0.951,509 0.524,510 0.862,511 0.975,512 1.04,513 0.466,514 1.065,515 0.769,516 0.866,517 1.034,518 0.999,519 0.72,520 1.043,521 0.671,522 0.971,523 1.017,524 1.076,525 0.613,526 1.094,527 7,528 0.173,529 3.778,530 1.875,531 1.893,532 0.986,533 0.605,534 0.474,535 0.245,536 0.258,537 22167,538 55853,539 2.141,540 45.3,542 23,545 1,546 3,547 2,550 1.76,551 2.039,552 3.936,553 -0.43,559 94.237,560 1.472,561 3.368,562 4.436,563 5.363,564 5.426,565 5.426,566 3.359,567 4.672,568 5.102,569 4.125,570 2454.58,571 8.915,572 41171.4,577 384,578 1.271,579 5.076,580 0.179,581 0.006,582 0.07,583 0.034,584 0.039,585 0.021,586 0.014,587 0.013,588 0.007,589 0.009,590 0.393,591 0.33,592 0.75,593 0.45,594 194.495,595 -0.008,596 -0.13,597 0.057,598 -0.032,599 -0.022,600 0.01,601 -0.003,602 -0.058,603 0.011,604 -0.012,605 0.071,607 -0.113,608 0.024,609 -0.114,610 -0.033,611 -0.019,612 -0.061,613 -0.024,614 -0.106,615 -0.078,616 -0.131,617 0.001,618 -0.117,619 -0.035,620 -0.002,621 0.036,622 0.04,623 -0.014,624 0.048,625 0.184,626 0.009,627 -0.015,628 -0.063,629 0.177,630 -0.068,631 -0.041,632 -0.004,633 -0.061,634 -0.026,635 -0.059,636 -0.043,637 0.029,638 -0.104,639 -0.051,640 -0.095,641 0.017,642 -0.089,643 2.02,644 5.438,645 0.8,646 44.162,647 0.996,648 1.124,649 4.135,650 17.101,651 0.677,652 3.689,653 4.007,654 4.263,655 4.511,656 4.771,657 4.796,658 4.883,659 5.004,660 5.1,661 5.153,662 9.195,663 0.641,664 468.62,665 3.689,666 5.231,667 6.075,668 6.944,669 7.802,670 8.673,671 9.536,672 10.409,673 11.275,674 12.15,675 6.3,678 1,681 1,682 1,685 1,687 2,688 13,689 1,693 6,695 23,702 1,709 1,713 1,714 64,716 24,717 3,718 39,720 68,721 29,722 21,723 7,724 11,725 1,730 5,731 6,736 1,743 1,745 22,746 7,750 1,755 1,759 1,762 1,764 29,765 6,766 1,767 6,773 4,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,825 1,827 35,833 6,834 1,838 2,846 1,847 1.6,850 1,854 17.167,855 11.743,856 7.611,857 3.943,858 4.339,859 1.512,860 1.018,861 6.965,862 12.806,863 3.961,864 4.559,865 5.127,866 5.694,867 6.255,868 6.44,869 6.718,870 7.037,871 7.341,872 7.339,873 0.909,874 55,875 12.978,877 5.542,878 7.686,879 25.125,881 20.928,883 2.186,884 76.5,888 329.591,889 178.264,890 41.045,892 25.145,893 14.96,895 178.264,896 354.736,897 56.005,898 8.825,899 31.074,900 123.191,901 46.635,902 34.728,903 14.96,904 329.591,906 329.591,907 219.309,908 40.105,911 321.009,912 48.687,915 47.924,916 154.599,917 16.786,919 344.551,920 66.19,921 178.264,924 329.591,925 46.247,926 138.265,927 18.011,928 56.891,929 329.591,930 81.15,931 178.264,933 0.582,934 0.334,935 0.179,936 0.103,937 26,938 11,939 0.088,940 6,941 1,942 1.071,943 4.762,944 322.667,945 0.071,946 28,947 169.525,951 23.32,952 10.453,953 5.631,954 2.266,955 81.15,956 24.156,957 4.676,961 4.319,963 18.011,964 589.004,965 51.5,970 12.438,974 -0.239,975 63.734,976 71.94,977 0.245,978 0.561,979 0.739,980 0.894,981 0.904,982 0.904,983 5.192,984 1.97,985 6.047,986 5.782,987 4.691,988 5.247,989 1.641,990 6.823,991 4.63,992 6.386,993 1.598,994 7.582,995 5.694,996 4.205,997 4.987,998 0.57,999 7.636,1000 4.095,1001 7.681,1002 1.421,1003 9.212,1004 4.491,1005 6.256,1006 7.431,1007 1.488,1008 10.715,1009 6.134,1010 9.007,1011 1.315,1012 10.899,1013 3.469,1014 6.567,1015 7.993,1016 0.479,1017 12.374,1018 6.405,1019 10.365,1020 1.141,1021 12.624,1022 3.322,1023 8.076,1024 9.914,1025 1.47,1026 14.972,1027 7.902,1028 11.744,1029 1,1030 14.376,1031 2.603,1032 8.775,1033 10.898,1034 0.346,1035 17.014,1036 8.57,1037 13.141,1038 1,1039 16.149,1040 2.275,1041 10.05,1042 12.583,1043 1.501,1044 19.451,1045 9.829,1046 3.139,1047 0.859,1048 17.938,1049 2.275,1050 10.949,1051 13.799,1052 0.237,1053 21.673,1054 10.702,1055 2.866,1056 10.856,1057 19.743,1058 2.036,1059 12.121,1060 15.371,1061 1.556,1062 24.06,1063 11.855,1064 2.681,1065 8.742,1066 21.559,1067 4.474,1068 13.124,1069 16.715,1070 0.158,1071 26.365,1072 12.833,1073 2.612,1074 8.005,1075 23.385,1076 3.788,1077 14.255,1078 18.235,1079 1.626,1080 28.74,1081 13.943,1082 2.379,1083 7.671,1084 25.22,1085 3.646,1086 15.313,1087 19.648,1088 0.104,1089 31.085,1090 14.975,1091 2.276,1092 6.889,1093 27.064,1094 3.249,1095 16.43,1096 21.146,1097 1.706,1098 33.459,1099 16.068,1100 2.057,1101 6.138,1102 28.914,1103 3.017,1104 17.517,1105 22.596,1106 0.068,1107 35.822,1108 17.128,1109 20464,1110 32692,1111 26.641,1112 43.313,1113 58.262,1114 59.341,1115 59.215,1116 57.984,1117 57.873,1118 75.884,1119 5.317,1120 163.5,1121 56.122,1122 5.551,1123 5.573,1124 6.251,1125 5.176,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 14.592,1132 1.494,1133 1.522,1134 1.518,1135 1.487,1136 1.484,1137 1.946,1138 0.136,1139 4.192,1140 1.439,1141 4.096,1142 4.131,1143 4.054,1144 4.017,1145 8.201,1146 4.022,1147 3.976,1148 4.007,1149 3.924,1150 3.897,1151 7.429,1152 3.898,1153 3.885,1154 3.917,1155 3.824,1156 3.817,1157 4.983,1158 3.814,1159 3.777,1160 3.842,1161 3.672,1162 3.595,1163 4.752,1164 3.604,1165 3.519,1166 3.574,1167 3.417,1168 3.415,1169 4.593,1170 3.407,1171 3.39,1172 3.45,1173 3.313,1174 3.216,1175 4.44,1176 3.218,1177 3.271,1178 3.316,1179 3.158,1180 3.063,1181 4.285,1182 3.091,1183 3.111,1184 3.206,1185 2.939,1186 2.951,1187 3.987,1188 2.937,1189 0.117,1190 0.092,1191 0.172,1192 0.105,1193 0.08,1194 4.551,1195 0.115,1196 3.573,1197 0.027,1198 6.695,1199 0.278,1200 4.108,1201 0.078,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.943,1214 1.915,1215 2.059,1216 2.049,1217 1.238,1218 2.053,1219 1.877,1220 1.852,1221 1.984,1222 1.983,1223 1.148,1224 1.985,1225 1.739,1226 1.671,1227 1.932,1228 1.926,1229 1.06,1230 1.933,1231 1.523,1232 1.474,1233 1.734,1234 1.669,1235 0.87,1236 1.692,1237 1.366,1238 1.301,1239 1.629,1240 1.57,1241 0.825,1242 1.589,1243 1.174,1244 1.14,1245 1.513,1246 1.431,1247 0.802,1248 1.429,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.4,1255 4.369,1257 5.687,1259 7.2,1261 8.798,1263 10.441,1265 2.028,1267 13.111,1271 5.881,1272 2.911,1276 4.954,1280 41.032,1281 94.237,1282 215.576,1283 283.92,1284 343.245,1285 347.245,1286 347.245,1287 58.153,1288 8.467,1289 48.47,1290 48.47,1291 30,1292 12.692,1293 4.644,1294 3.755,1295 52.688,1296 198,1297 189,1298 0.127,1299 249.224,1300 432.04,1301 599.867,1302 73004,1303 1.6,1304 24.2,1305 0.691,1306 0.568,1307 23.33,1308 19.876,1309 17.047,1310 0.437,1311 0.309,1312 11.915,1313 16.525,1314 11.629,1315 9.601,1316 16.653,1317 12.046,1318 15.427,1319 0.286,1320 0.167,1321 14.805,1322 9.037,1323 12.908,1324 0.184,1325 0.094,1326 12.497,1327 6.569,1328 10.661,1329 0.118,1330 0.051,1331 10.509,1332 4.625,1333 8.979,1334 0.077,1335 0.029,1336 8.768,1337 3.359,1338 0.21,1339 105.728,1340 0.194,1341 33.092,1342 0.325,1343 186,1344 525.115,1345 200.649,1346 492.136,1347 674.22,1348 462,1349 217,1350 495.97,1351 231.451,1352 500.701,1353 729.65,1354 473,1355 9.4} {0 CHEMBL1632214,1 1.423,2 15.722,3 5.091,4 25.922,5 144.135,6 7.069,7 0.575,8 4.302,9 4.425,10 3.837,11 3.864,12 5.346,13 3.831,14 4.848,15 5.031,16 4.175,17 4.251,18 5.832,19 4.198,20 5.101,21 5.312,22 4.26,23 4.422,24 6.043,25 4.34,26 5.197,27 5.422,28 4.217,29 4.447,30 6.149,31 4.329,32 5.248,33 5.503,34 4.133,35 4.433,36 6.129,37 4.3,38 5.189,39 5.446,40 4.04,41 4.37,42 6.053,43 4.229,44 5.1,45 5.362,46 3.938,47 4.279,48 5.913,49 4.134,50 4.985,51 5.235,52 3.826,53 4.192,54 5.796,55 4.039,56 0.046,57 0.972,58 14.592,59 6.269,60 10.093,61 8.496,62 0.27,63 1.608,64 27.375,65 10.075,66 27.239,67 14.09,68 0.325,69 2.015,70 36.136,71 13.186,72 36.456,73 18.592,74 0.444,75 2.105,76 40.454,77 15.639,78 55.947,79 21.971,80 0.38,81 2.168,82 43.792,83 16.139,84 56.212,85 22.977,86 0.388,87 2.059,88 41.288,89 15.161,90 55.157,91 21.665,92 0.356,93 1.87,94 37.871,95 14.054,96 44.452,97 20.089,98 0.296,99 1.677,100 33.182,101 12.754,102 35.908,103 18.227,104 11,105 55,106 0.222,107 0.526,108 0.706,109 0.851,110 0.874,111 0.874,112 3.615,113 0.936,114 -4.69,115 -4.61,116 -4.33,119 44.1,120 1,121 1,124 1,125 5,140 13,141 3,142 3,144 2,156 1,169 13,172 10,174 1,176 3,178 15,181 1,182 8,186 3,189 9,192 2,193 10,195 1,197 4,199 8,203 7,208 1,211 6,215 9,218 1,222 9,225 1,226 6,233 10,236 1,237 4,244 10,249 4,252 1,256 10,259 2440,260 24.817,261 24.817,262 24.817,263 24.817,264 24.817,265 21.963,266 29.753,267 14.706,268 25.31,269 19.707,270 19.707,271 19.707,272 19.707,273 19.707,274 15.373,275 40.457,276 6.903,277 20.396,278 4.665,279 2.719,280 1.571,281 0.64,282 0.493,283 0.493,284 4.325,289 1,290 1244,291 3.464,295 589.605,299 180.331,302 2.475,303 23.369,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 76,315 566,316 4.551,317 3.611,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.344,326 3.28,327 6.451,328 3.983,329 2.997,330 3.946,331 0.86,332 9.938,333 2.95,334 4.064,335 2.924,336 5.808,337 3.681,338 2.705,339 3.666,340 0.8,341 8.007,342 2.653,343 3.855,344 2.855,345 5.627,346 3.57,347 2.626,348 3.249,349 0.8,350 7.808,351 2.466,352 3.561,353 2.769,354 5.335,355 3.318,356 2.379,357 2.781,359 6.911,360 2.236,361 3.481,362 2.619,363 5.135,364 3.142,365 2.169,366 2.73,368 6.228,369 2.1,370 3.335,371 2.271,372 4.961,373 2.994,374 2.032,375 2.514,377 5.728,378 1.949,379 3.207,380 2.204,381 4.816,382 2.824,383 1.836,384 2.41,386 5.174,387 1.805,388 3.027,389 1.748,390 4.558,391 2.574,392 1.597,393 2.241,395 4.49,396 1.559,397 2.917,398 1.651,399 4.036,400 2.461,401 1.491,402 2.085,404 3.466,405 1.437,406 2.777,407 1.476,408 3.865,409 2.399,410 1.418,411 1.848,413 3.21,414 1.386,415 2.681,416 1.319,417 3.581,418 2.224,419 1.23,420 1.759,422 2.742,423 1.221,424 2.529,425 1.279,426 3.487,427 2.014,428 1,429 1.478,431 2.437,432 1.009,433 2.257,434 1.146,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 0.939,444 3.372,445 1.839,446 0.859,447 1,449 2.035,450 0.84,451 17.267,452 0.48,453 0.742,454 0.021,455 48.25,456 1.34,457 25,458 0.694,459 23.25,460 0.646,461 30.993,462 0.861,463 37.933,464 0.558,465 37.551,466 1.043,467 9.691,468 0.269,469 7.91,470 0.22,471 0.077,473 0.307,479 0.808,480 1.332,481 0.825,482 1.096,483 0.616,484 0.981,485 1.136,486 1.102,487 0.939,488 0.92,489 0.642,490 0.901,491 1.124,492 1.045,493 1.046,494 0.998,495 0.884,496 0.998,497 0.823,498 1.144,499 1.025,500 1.144,501 0.87,502 1.115,503 1.054,504 1.003,505 1.013,506 0.989,507 1.215,508 0.994,509 1.01,510 0.979,511 1.061,512 1.007,513 1.247,514 1.031,515 0.957,516 0.945,517 1.024,518 0.976,519 0.945,520 1.001,521 0.8,522 1.079,523 1.087,524 1.119,525 0.817,526 1.132,527 6.5,528 0.178,529 3.778,530 2.25,531 1.933,532 1.049,533 0.607,534 0.465,535 0.262,536 0.224,537 23476,538 54468,539 2.137,540 47.1,542 26,545 1,546 3,547 2,550 1.768,551 2.038,552 3.901,553 -0.438,559 96.741,560 1.423,561 3.369,562 4.516,563 5.448,564 5.595,565 5.595,566 3.365,567 4.572,568 5.145,569 4.118,570 2594.52,571 9.001,572 44358.4,577 413.947,578 1.256,579 5.118,580 0.162,581 0.006,582 0.069,583 0.039,584 0.036,585 0.021,586 0.014,587 0.012,588 0.007,589 0.007,590 0.374,591 0.33,592 0.75,593 0.586,594 201.422,595 0.007,596 -0.178,597 0.069,598 -0.059,599 -0.011,600 -0.001,601 -0.046,602 0.017,603 0.021,604 0.057,605 0.06,606 0.049,607 -0.098,608 0.038,609 -0.076,610 -0.028,611 -0.013,612 -0.042,613 0.15,614 -0.147,615 -0.053,616 -0.148,617 0.157,618 -0.129,619 -0.074,620 -0.029,621 -0.021,622 -0.011,623 -0.035,624 -0.009,625 -0.07,626 0.005,627 -0.072,628 -0.034,629 -0.113,630 -0.049,631 -0.053,632 0.026,633 -0.035,634 0.003,635 -0.082,636 -0.011,637 0.001,638 -0.103,639 -0.118,640 -0.127,641 -0.063,642 -0.135,643 1.834,644 5.748,645 0.778,646 44.778,647 0.992,648 1.121,649 3.459,650 11.968,651 0.67,652 3.714,653 4.025,654 4.304,655 4.564,656 4.796,657 4.804,658 4.92,659 5.03,660 5.13,661 5.176,662 9.248,663 0.631,664 480.66,665 3.714,666 5.252,667 6.103,668 6.974,669 7.837,670 8.712,671 9.579,672 10.456,673 11.325,674 12.203,675 5.9,678 1,681 1,682 1,685 1,687 2,688 13,689 1,693 6,695 23,702 1,709 1,712 1,714 68,716 24,717 3,718 40,720 72,721 30,722 21,723 7,724 11,725 1,730 5,731 6,736 1,743 1,745 22,746 8,750 1,755 1,759 1,764 32,765 6,766 1,767 6,773 4,777 0.8,778 2,786 1,793 5,797 1,815 1,819 4,823 2,827 36,833 6,834 1,835 1,838 2,847 2.9,850 1,852 1,854 17.667,855 12.767,856 7.972,857 4.122,858 4.442,859 1.52,860 1.004,861 7.5,862 12.986,863 3.98,864 4.57,865 5.153,866 5.728,867 6.266,868 6.433,869 6.75,870 7.063,871 7.361,872 7.353,873 1,874 58,875 13.322,877 5.596,878 7.556,879 26.013,881 21.451,883 2.056,884 74,888 364.904,889 185.269,890 41.045,892 36.145,895 185.269,896 401.049,897 41.045,898 19.708,899 31.074,900 123.191,901 46.635,902 41.85,904 364.904,906 364.904,907 226.314,908 36.145,911 341.362,912 59.687,915 47.924,916 161.604,917 16.786,919 364.904,920 77.19,921 185.269,924 364.904,925 42.37,926 149.148,927 18.011,928 52.93,929 364.904,930 77.19,931 185.269,933 0.576,934 0.342,935 0.19,936 0.104,937 26,938 11,939 0.097,940 7,941 1,942 1.071,943 4.801,944 336.774,945 0.071,946 28,947 180.117,951 24.299,952 11.111,953 5.721,954 2.288,955 77.19,956 26.073,957 4.69,961 5.436,963 18.011,964 627.363,965 52.5,970 12.748,974 -0.167,975 67.432,976 76.225,977 0.234,978 0.553,979 0.742,980 0.895,981 0.919,982 0.919,983 5.208,984 1.836,985 6.071,986 5.728,987 4.71,988 5.257,989 1.893,990 6.862,991 4.646,992 6.398,993 1.597,994 7.613,995 5.174,996 4.205,997 4.987,998 0.57,999 7.719,1000 4.105,1001 7.693,1002 1.491,1003 9.255,1004 4.49,1005 6.282,1006 7.444,1007 1.709,1008 10.817,1009 6.158,1010 9.023,1011 1.418,1012 10.957,1013 3.466,1014 6.608,1015 8.023,1016 0.479,1017 12.53,1018 6.449,1019 10.386,1020 1.23,1021 12.699,1022 3.21,1023 8.126,1024 9.943,1025 1.641,1026 15.139,1027 7.947,1028 11.773,1029 1,1030 14.47,1031 2.742,1032 8.852,1033 10.95,1034 0.346,1035 17.216,1036 8.644,1037 13.179,1038 1,1039 16.262,1040 2.437,1041 10.131,1042 12.63,1043 1.626,1044 19.66,1045 9.904,1046 3.139,1047 0.859,1048 18.07,1049 2.275,1050 11.057,1051 13.863,1052 0.237,1053 21.896,1054 10.803,1055 2.997,1056 10.856,1057 19.892,1058 2.035,1059 12.234,1060 15.431,1061 1.645,1062 24.284,1063 11.96,1064 2.705,1065 9.938,1066 21.724,1067 4.474,1068 13.257,1069 16.783,1070 0.158,1071 26.59,1072 12.958,1073 2.626,1074 8.007,1075 23.566,1076 3.946,1077 14.394,1078 18.299,1079 1.689,1080 28.96,1081 14.073,1082 2.379,1083 7.808,1084 25.415,1085 3.666,1086 15.465,1087 19.714,1088 0.104,1089 31.298,1090 15.12,1091 2.169,1092 6.911,1093 27.27,1094 3.249,1095 16.588,1096 21.209,1097 1.749,1098 33.664,1099 16.22,1100 2.032,1101 6.228,1102 29.13,1103 2.781,1104 17.684,1105 22.658,1106 0.068,1107 36.018,1108 17.291,1109 21749,1110 33282,1111 27.334,1112 45.591,1113 59.369,1114 60.58,1115 60.74,1116 59.11,1117 59.142,1118 77.164,1119 7.037,1120 167.053,1121 57.274,1122 5.551,1123 5.611,1124 6.387,1125 5.176,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 14.721,1132 1.484,1133 1.514,1134 1.518,1135 1.478,1136 1.479,1137 1.929,1138 0.176,1139 4.176,1140 1.432,1141 4.097,1142 4.131,1143 4.055,1144 4.017,1145 7.429,1146 4.022,1147 3.978,1148 4.007,1149 3.926,1150 3.898,1151 4.985,1152 3.9,1153 3.886,1154 3.914,1155 3.823,1156 3.818,1157 4.847,1158 3.815,1159 3.777,1160 3.842,1161 3.672,1162 3.595,1163 4.739,1164 3.604,1165 3.519,1166 3.574,1167 3.416,1168 3.415,1169 4.44,1170 3.407,1171 3.386,1172 3.448,1173 3.288,1174 3.216,1175 4.382,1176 3.216,1177 3.262,1178 3.315,1179 3.147,1180 3.066,1181 4.285,1182 3.085,1183 3.249,1184 3.309,1185 3.062,1186 2.963,1187 3.991,1188 2.974,1189 0.114,1190 0.09,1191 0.167,1192 0.103,1193 0.078,1194 4.551,1195 0.112,1196 3.611,1197 0.026,1198 6.695,1199 0.271,1200 4.108,1201 0.076,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.943,1214 1.916,1215 2.059,1216 2.05,1217 1.238,1218 2.053,1219 1.879,1220 1.857,1221 1.991,1222 1.987,1223 1.148,1224 1.988,1225 1.739,1226 1.671,1227 1.933,1228 1.927,1229 1.074,1230 1.934,1231 1.523,1232 1.474,1233 1.734,1234 1.669,1235 0.871,1236 1.692,1237 1.367,1238 1.302,1239 1.63,1240 1.571,1241 0.825,1242 1.591,1243 1.2,1244 1.149,1245 1.573,1246 1.513,1247 0.802,1248 1.533,1249 1.179,1250 1.119,1251 1.513,1252 1.43,1253 0.574,1254 1.429,1255 4.394,1257 5.707,1259 7.223,1261 8.83,1263 10.482,1265 3.613,1271 5.994,1272 3.009,1273 5.322,1276 4.994,1280 42.89,1281 96.741,1282 229.068,1283 307.113,1284 370.438,1285 380.438,1286 380.438,1287 54.495,1288 8.544,1289 57.7,1290 57.7,1291 30,1292 12.742,1293 4.644,1294 3.755,1295 54.931,1296 206,1297 174,1298 0.128,1299 261.615,1300 452.06,1301 630.1,1302 80817,1304 24.907,1305 0.692,1306 0.581,1307 24.907,1308 20.906,1309 17.602,1310 0.44,1311 0.312,1312 12.328,1313 17.045,1314 11.979,1315 9.937,1316 17.602,1317 12.475,1318 15.523,1319 0.282,1320 0.168,1321 15.523,1322 9.23,1323 13.265,1324 0.182,1325 0.093,1326 13.265,1327 6.814,1328 11.281,1329 0.119,1330 0.051,1331 11.281,1332 4.851,1333 9.301,1334 0.078,1335 0.029,1336 9.301,1337 3.467,1338 0.21,1339 109.307,1340 0.191,1341 33.76,1342 0.328,1343 190,1344 486.739,1345 203.697,1346 476.215,1347 663.82,1348 450,1349 223,1350 494.182,1351 237.531,1352 505.584,1353 737.33,1354 476,1355 9.2} {0 CHEMBL1632215,1 1.423,2 16.278,3 5.091,4 25.922,5 144.135,6 7.069,7 0.575,8 4.302,9 4.425,10 3.837,11 3.864,12 5.345,13 3.831,14 4.848,15 5.031,16 4.175,17 4.251,18 5.835,19 4.198,20 5.101,21 5.312,22 4.243,23 4.421,24 6.046,25 4.335,26 5.191,27 5.423,28 4.173,29 4.439,30 6.093,31 4.315,32 5.235,33 5.495,34 4.133,35 4.419,36 6.122,37 4.283,38 5.153,39 5.405,40 4.037,41 4.359,42 6.015,43 4.218,44 5.105,45 5.368,46 3.923,47 4.265,48 5.948,49 4.121,50 4.973,51 5.226,52 3.819,53 4.17,54 5.782,55 4.021,56 0.046,57 0.972,58 14.592,59 6.269,60 9.982,61 8.496,62 0.27,63 1.608,64 27.375,65 10.075,66 27.66,67 14.09,68 0.337,69 2.015,70 36.158,71 13.189,72 39.043,73 18.593,74 0.288,75 2.101,76 40.154,77 15.643,78 45.207,79 22.029,80 0.51,81 2.132,82 43.447,83 16.058,84 61.368,85 23.046,86 0.322,87 2.007,88 39.337,89 14.853,90 46.186,91 21.241,92 0.394,93 1.879,94 38.282,95 13.773,96 52.652,97 19.717,98 0.316,99 1.647,100 33.028,101 12.508,102 36.266,103 17.85,104 11,105 55,106 0.222,107 0.526,108 0.713,109 0.859,110 0.874,111 0.874,112 3.615,113 0.935,114 -4.69,115 -4.61,116 -4.33,119 44.1,120 1,121 1,124 1,125 5,140 13,141 3,142 3,144 2,156 1,169 13,172 10,174 1,176 3,178 15,181 1,182 9,186 4,189 9,192 1,193 9,197 3,199 8,202 1,203 7,206 1,208 1,211 8,215 7,218 1,222 9,225 1,226 6,233 10,236 1,237 4,244 8,249 7,252 1,256 10,259 2480,260 24.764,261 24.764,262 24.764,263 24.764,264 24.764,265 21.938,266 29.753,267 14.653,268 25.265,269 19.713,270 19.713,271 19.713,272 19.713,273 19.713,274 15.391,275 39.813,276 6.913,277 20.411,278 4.665,279 2.719,280 1.523,281 0.592,282 0.493,283 0.493,284 4.325,289 1,290 1289,291 3.464,295 593.681,299 181.557,302 2.54,303 23.038,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 76,315 586,316 4.551,317 3.576,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.241,326 3.28,327 6.092,328 3.881,329 2.888,330 3.822,331 0.86,332 8.884,333 2.865,334 4.051,335 2.919,336 5.808,337 3.666,338 2.69,339 3.656,340 0.8,341 8.005,342 2.64,343 3.855,344 2.833,345 5.598,346 3.568,347 2.62,348 3.249,349 0.8,350 7.726,351 2.466,352 3.658,353 2.781,354 5.332,355 3.33,356 2.387,357 2.974,359 6.911,360 2.25,361 3.533,362 2.622,363 5.244,364 3.252,365 2.296,366 2.736,368 6.579,369 2.183,370 3.365,371 2.274,372 4.974,373 3.023,374 2.055,375 2.603,377 5.825,378 1.985,379 3.271,380 2.21,381 4.937,382 2.935,383 1.966,384 2.451,386 5.702,387 1.898,388 3.027,389 1.929,390 4.558,391 2.575,392 1.598,393 2.243,395 4.49,396 1.559,397 2.851,398 1.651,399 4.038,400 2.407,401 1.424,402 1.956,404 3.47,405 1.395,406 2.774,407 1.476,408 4.014,409 2.374,410 1.387,411 1.844,413 3.35,414 1.359,415 2.673,416 1.279,417 3.506,418 2.208,419 1.214,420 1.75,422 2.656,423 1.205,424 2.528,425 1.227,426 3.464,427 2.014,428 1,429 1.478,431 2.414,432 1.009,433 2.257,434 1.146,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 0.936,444 3.372,445 1.839,446 0.859,447 1,449 2.035,450 0.84,451 17.267,452 0.48,453 0.759,454 0.021,455 48.25,456 1.34,457 25,458 0.694,459 23.25,460 0.646,461 30.825,462 0.856,463 37.933,464 0.558,465 37.376,466 1.038,467 9.676,468 0.269,469 7.909,470 0.22,471 0.077,473 0.307,479 0.808,480 1.332,481 0.825,482 1.096,483 0.618,484 0.981,485 1.136,486 1.102,487 0.939,488 0.92,489 0.63,490 0.901,491 1.146,492 1.045,493 1.076,494 1.001,495 0.89,496 1.014,497 0.878,498 1.154,499 1.04,500 1.154,501 0.977,502 1.122,503 0.828,504 0.948,505 0.944,506 0.944,507 1.001,508 0.953,509 0.862,510 1.058,511 1.047,512 1.076,513 0.978,514 1.079,515 1.093,516 0.929,517 1.067,518 0.956,519 1.348,520 0.997,521 0.882,522 1.033,523 1.063,524 1.062,525 0.828,526 1.081,527 7,528 0.157,529 3.556,530 2,531 2.013,532 0.993,533 0.647,534 0.443,535 0.25,536 0.254,537 23732,538 55220,539 2.137,540 47.1,542 26,545 1,546 3,547 2,550 1.767,551 2.038,552 3.952,553 -0.438,559 96.741,560 1.423,561 3.369,562 4.564,563 5.495,564 5.595,565 5.595,566 3.372,567 4.572,568 5.144,569 4.148,570 2613.14,571 8.999,572 44850.8,577 413.947,578 1.256,579 5.118,580 0.175,581 0.005,582 0.065,583 0.035,584 0.039,585 0.02,586 0.015,587 0.011,588 0.007,589 0.008,590 0.381,591 0.33,592 0.75,593 0.586,594 201.801,595 0.007,596 -0.178,597 0.069,598 -0.059,599 -0.013,600 -0.001,601 -0.046,602 0.017,603 0.021,604 0.057,605 0.072,606 0.049,607 -0.12,608 0.038,609 -0.106,610 -0.032,611 -0.017,612 -0.058,613 -0.003,614 -0.159,615 -0.075,616 -0.157,617 0.025,618 -0.13,619 0.108,620 0.019,621 0.047,622 0.037,623 0.084,624 0.037,625 -0.028,626 -0.07,627 -0.073,628 -0.093,629 -0.048,630 -0.089,631 -0.095,632 0.051,633 -0.068,634 0.01,635 -0.15,636 -0.02,637 -0.01,638 -0.062,639 -0.085,640 -0.074,641 -0.051,642 -0.087,643 1.805,644 5.661,645 0.778,646 45.938,647 0.992,648 1.121,649 3.459,650 11.968,651 0.67,652 3.714,653 4.025,654 4.29,655 4.543,656 4.796,657 4.812,658 4.927,659 5.024,660 5.124,661 5.176,662 9.365,663 0.631,664 480.66,665 3.714,666 5.252,667 6.098,668 6.967,669 7.826,670 8.698,671 9.562,672 10.436,673 11.303,674 12.177,675 5.9,678 1,681 1,682 1,685 1,687 2,688 13,689 1,693 6,695 23,702 1,709 1,712 1,714 68,716 24,717 3,718 40,720 72,721 30,722 21,723 7,724 11,725 1,730 5,731 6,736 1,743 1,745 22,746 8,750 1,755 1,759 1,764 32,765 6,766 1,767 6,773 4,777 0.8,778 2,786 1,793 5,797 1,815 1,819 4,823 2,827 36,833 6,834 1,835 1,838 2,847 2.9,850 1,852 1,854 17.667,855 12.767,856 7.944,857 4.115,858 4.389,859 1.514,860 1.004,861 7.5,862 12.933,863 3.98,864 4.57,865 5.145,866 5.716,867 6.272,868 6.446,869 6.763,870 7.052,871 7.354,872 7.356,873 0.909,874 57,875 13.318,877 5.589,878 7.556,879 26.013,881 21.446,883 2.056,884 74,888 364.904,889 185.269,890 41.045,892 36.145,895 185.269,896 401.049,897 41.045,898 19.708,899 31.074,900 123.191,901 46.635,902 41.85,904 364.904,906 364.904,907 226.314,908 36.145,911 341.362,912 59.687,915 47.924,916 161.604,917 16.786,919 364.904,920 77.19,921 185.269,924 364.904,925 42.37,926 149.148,927 18.011,928 52.93,929 364.904,930 77.19,931 185.269,933 0.577,934 0.338,935 0.183,936 0.104,937 26,938 11,939 0.097,940 7,941 1,942 1.071,943 4.827,944 334.962,945 0.071,946 28,947 180.117,951 24.299,952 11.111,953 5.889,954 2.29,955 77.19,956 26.013,957 4.69,961 5.604,963 18.011,964 627.363,965 52.5,970 12.661,974 -0.138,975 67.432,976 76.225,977 0.234,978 0.553,979 0.75,980 0.903,981 0.919,982 0.919,983 5.208,984 1.966,985 6.066,986 5.825,987 4.71,988 5.257,989 1.893,990 6.845,991 4.646,992 6.398,993 1.598,994 7.601,995 5.702,996 4.205,997 4.987,998 0.57,999 7.662,1000 4.105,1001 7.691,1002 1.424,1003 9.232,1004 4.49,1005 6.275,1006 7.439,1007 1.709,1008 10.745,1009 6.151,1010 9.018,1011 1.387,1012 10.921,1013 3.47,1014 6.581,1015 8,1016 0.479,1017 12.404,1018 6.424,1019 10.376,1020 1.214,1021 12.647,1022 3.35,1023 8.097,1024 9.923,1025 1.641,1026 15.003,1027 7.921,1028 11.756,1029 1,1030 14.4,1031 2.656,1032 8.796,1033 10.91,1034 0.346,1035 17.042,1036 8.592,1037 13.154,1038 1,1039 16.174,1040 2.414,1041 10.074,1042 12.594,1043 1.626,1044 19.478,1045 9.85,1046 3.139,1047 0.859,1048 17.964,1049 2.275,1050 10.975,1051 13.813,1052 0.237,1053 21.697,1054 10.726,1055 2.888,1056 10.856,1057 19.768,1058 2.035,1059 12.147,1060 15.384,1061 1.645,1062 24.082,1063 11.879,1064 2.69,1065 8.884,1066 21.584,1067 4.474,1068 13.152,1069 16.729,1070 0.158,1071 26.384,1072 12.859,1073 2.62,1074 8.005,1075 23.409,1076 3.822,1077 14.283,1078 18.248,1079 1.689,1080 28.757,1081 13.968,1082 2.387,1083 7.726,1084 25.244,1085 3.656,1086 15.342,1087 19.661,1088 0.104,1089 31.099,1090 15.002,1091 2.296,1092 6.911,1093 27.086,1094 3.249,1095 16.459,1096 21.159,1097 1.749,1098 33.472,1099 16.095,1100 2.055,1101 6.579,1102 28.936,1103 2.974,1104 17.546,1105 22.608,1106 0.068,1107 35.833,1108 17.157,1109 21988,1110 33693,1111 27.334,1112 45.591,1113 59.346,1114 60.661,1115 60.469,1116 59.099,1117 59.147,1118 77.161,1119 7.037,1120 166.603,1121 57.279,1122 5.551,1123 5.576,1124 6.285,1125 5.176,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 14.827,1132 1.484,1133 1.517,1134 1.512,1135 1.477,1136 1.479,1137 1.929,1138 0.176,1139 4.165,1140 1.432,1141 4.097,1142 4.131,1143 4.054,1144 4.017,1145 7.429,1146 4.022,1147 3.978,1148 4.007,1149 3.924,1150 3.898,1151 4.985,1152 3.899,1153 3.886,1154 3.914,1155 3.822,1156 3.818,1157 4.854,1158 3.815,1159 3.777,1160 3.842,1161 3.672,1162 3.595,1163 4.741,1164 3.604,1165 3.52,1166 3.574,1167 3.417,1168 3.415,1169 4.44,1170 3.407,1171 3.4,1172 3.454,1173 3.313,1174 3.218,1175 4.358,1176 3.221,1177 3.3,1178 3.354,1179 3.163,1180 3.084,1181 4.285,1182 3.106,1183 3.189,1184 3.255,1185 3.016,1186 2.954,1187 3.989,1188 2.948,1189 0.114,1190 0.089,1191 0.167,1192 0.103,1193 0.078,1194 4.551,1195 0.112,1196 3.576,1197 0.026,1198 6.695,1199 0.271,1200 4.108,1201 0.076,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.943,1214 1.916,1215 2.059,1216 2.049,1217 1.238,1218 2.053,1219 1.879,1220 1.857,1221 1.99,1222 1.987,1223 1.148,1224 1.989,1225 1.739,1226 1.671,1227 1.932,1228 1.927,1229 1.074,1230 1.934,1231 1.523,1232 1.474,1233 1.734,1234 1.67,1235 0.871,1236 1.692,1237 1.368,1238 1.304,1239 1.63,1240 1.583,1241 0.825,1242 1.595,1243 1.232,1244 1.185,1245 1.573,1246 1.519,1247 0.802,1248 1.537,1249 1.153,1250 1.072,1251 1.513,1252 1.401,1253 0.576,1254 1.429,1255 4.394,1257 5.707,1259 7.219,1261 8.818,1263 10.463,1265 3.636,1271 6.009,1272 3.01,1273 5.228,1276 4.996,1280 42.89,1281 96.741,1282 229.068,1283 310.358,1284 373.683,1285 380.438,1286 380.438,1287 53.639,1288 8.544,1289 57.7,1290 57.7,1291 30,1292 12.719,1293 4.644,1294 3.755,1295 54.945,1296 208,1297 186,1298 0.127,1299 261.615,1300 452.06,1301 630.1,1302 80817,1304 24.907,1305 0.692,1306 0.581,1307 24.907,1308 20.906,1309 17.585,1310 0.44,1311 0.312,1312 12.322,1313 17.025,1314 11.97,1315 9.929,1316 17.585,1317 12.469,1318 15.608,1319 0.284,1320 0.168,1321 15.608,1322 9.262,1323 13.248,1324 0.184,1325 0.094,1326 13.248,1327 6.795,1328 11.026,1329 0.119,1330 0.051,1331 11.026,1332 4.788,1333 9.265,1334 0.077,1335 0.029,1336 9.265,1337 3.463,1338 0.208,1339 109.206,1340 0.191,1341 33.835,1342 0.323,1343 190,1344 486.739,1345 203.697,1346 476.409,1347 663.24,1348 450,1349 222,1350 493.182,1351 236.199,1352 504.865,1353 734.17,1354 475,1355 9.801} {0 CHEMBL1632216,1 1.423,2 16.833,3 5.091,4 25.922,5 144.135,6 7.069,7 0.575,8 4.302,9 4.425,10 3.837,11 3.864,12 5.345,13 3.831,14 4.848,15 5.031,16 4.175,17 4.251,18 5.835,19 4.198,20 5.101,21 5.312,22 4.243,23 4.421,24 6.049,25 4.335,26 5.191,27 5.423,28 4.155,29 4.439,30 6.096,31 4.311,32 5.23,33 5.496,34 4.085,35 4.411,36 6.065,37 4.268,38 5.139,39 5.396,40 4.037,41 4.344,42 6.008,43 4.2,44 5.065,45 5.322,46 3.921,47 4.253,48 5.907,49 4.11,50 4.978,51 5.233,52 3.802,53 4.154,54 5.822,55 4.006,56 0.046,57 0.972,58 14.592,59 6.269,60 9.982,61 8.496,62 0.27,63 1.608,64 27.375,65 10.075,66 27.549,67 14.09,68 0.337,69 2.015,70 36.158,71 13.189,72 39.464,73 18.593,74 0.3,75 2.1,76 40.176,77 15.646,78 47.794,79 22.03,80 0.354,81 2.128,82 43.147,83 16.061,84 50.627,85 23.105,86 0.452,87 1.971,88 38.992,89 14.772,90 51.342,91 21.31,92 0.328,93 1.827,94 36.33,95 13.465,96 43.681,97 19.293,98 0.354,99 1.656,100 33.439,101 12.226,102 44.466,103 17.478,104 11,105 55,106 0.222,107 0.526,108 0.71,109 0.846,110 0.856,111 0.856,112 3.615,113 0.935,114 -4.69,115 -4.61,116 -4.33,119 44.1,120 1,121 1,124 1,125 5,140 13,141 3,142 3,144 2,156 1,169 13,172 10,174 1,176 3,178 15,181 1,182 9,186 4,189 9,192 1,193 10,197 4,199 8,203 6,211 8,214 1,215 7,218 2,222 11,225 1,226 4,233 10,236 1,237 4,244 8,249 7,252 1,256 8,259 2520,260 24.764,261 24.764,262 24.764,263 24.764,264 24.764,265 21.938,266 29.753,267 14.612,268 25.265,269 19.696,270 19.696,271 19.696,272 19.696,273 19.696,274 15.385,275 39.813,276 6.887,277 20.397,278 4.665,279 2.719,280 1.542,281 0.669,282 0.61,283 0.61,284 4.325,289 1,290 1334,291 3.464,295 598.303,299 182.881,302 2.63,303 22.834,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 76,315 606,316 4.551,317 3.573,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.222,326 3.28,327 6.063,328 3.864,329 2.87,330 3.795,331 0.86,332 8.752,333 2.851,334 4.045,335 2.919,336 5.808,337 3.659,338 2.684,339 3.65,340 0.8,341 8.005,342 2.636,343 3.856,344 2.827,345 5.59,346 3.567,347 2.617,348 3.249,349 0.8,350 7.681,351 2.466,352 3.713,353 2.784,354 5.33,355 3.347,356 2.4,357 3.062,359 6.903,360 2.269,361 3.537,362 2.622,363 5.278,364 3.285,365 2.337,366 2.737,368 6.705,369 2.206,370 3.372,371 2.276,372 4.982,373 3.032,374 2.062,375 2.619,377 5.887,378 1.997,379 3.279,380 2.212,381 4.944,382 2.946,383 1.979,384 2.454,386 5.712,387 1.907,388 3.028,389 1.979,390 4.558,391 2.575,392 1.598,393 2.243,395 4.491,396 1.56,397 2.817,398 1.651,399 4.052,400 2.404,401 1.422,402 1.884,404 3.472,405 1.392,406 2.768,407 1.476,408 4.033,409 2.337,410 1.342,411 1.825,413 3.39,414 1.324,415 2.649,416 1.279,417 3.498,418 2.163,419 1.16,420 1.685,422 2.609,423 1.158,424 2.5,425 1.146,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.257,434 1.066,435 3.414,436 1.967,437 1,438 1.168,440 2.275,441 0.965,442 2,443 1,444 3.372,445 1.839,446 0.859,447 1,449 2.036,450 0.84,451 17.267,452 0.48,453 0.759,454 0.021,455 48.25,456 1.34,457 25,458 0.694,459 23.25,460 0.646,461 30.695,462 0.853,463 37.933,464 0.558,465 37.241,466 1.034,467 9.676,468 0.269,469 7.909,470 0.22,471 0.077,473 0.307,479 0.808,480 1.332,481 0.825,482 1.096,483 0.618,484 0.981,485 1.136,486 1.102,487 0.939,488 0.92,489 0.631,490 0.901,491 1.146,492 1.045,493 1.076,494 1.001,495 0.881,496 1.014,497 0.898,498 1.153,499 1.067,500 1.157,501 0.982,502 1.137,503 0.881,504 0.957,505 0.959,506 0.953,507 1.103,508 0.96,509 0.612,510 0.998,511 0.973,512 1.027,513 0.741,514 1.034,515 0.933,516 1.013,517 1.052,518 1.03,519 1.058,520 1.048,521 1.037,522 1.015,523 1.113,524 1.04,525 1.286,526 1.077,527 7,528 0.182,529 3.778,530 1.875,531 1.933,532 1.049,533 0.646,534 0.474,535 0.245,536 0.258,537 23988,538 55972,539 2.137,540 47.1,542 26,545 1,546 3,547 2,550 1.767,551 2.038,552 3.988,553 -0.438,559 96.741,560 1.423,561 3.369,562 4.546,563 5.418,564 5.477,565 5.477,566 3.472,567 4.44,568 5.142,569 4.179,570 2632.62,571 8.995,572 45336.4,577 413.947,578 1.256,579 5.118,580 0.175,581 0.006,582 0.069,583 0.033,584 0.039,585 0.022,586 0.015,587 0.012,588 0.007,589 0.008,590 0.385,591 0.33,592 0.75,593 0.586,594 202.166,595 0.007,596 -0.178,597 0.069,598 -0.059,599 -0.013,600 -0.001,601 -0.046,602 0.017,603 0.021,604 0.057,605 0.071,606 0.049,607 -0.12,608 0.038,609 -0.106,610 -0.032,611 -0.007,612 -0.058,613 -0.023,614 -0.159,615 -0.102,616 -0.16,617 0.022,618 -0.145,619 -0.038,620 0.008,621 0.027,622 0.029,623 -0.041,624 0.036,625 0.172,626 -0.017,627 0.001,628 -0.042,629 0.082,630 -0.039,631 -0.05,632 -0.028,633 -0.069,634 -0.053,635 -0.081,636 -0.062,637 -0.058,638 -0.033,639 -0.122,640 -0.067,641 -0.128,642 -0.096,643 1.787,644 5.608,645 0.778,646 47.111,647 0.992,648 1.121,649 3.459,650 11.968,651 0.67,652 3.714,653 4.025,654 4.29,655 4.533,656 4.787,657 4.828,658 4.927,659 5.017,660 5.124,661 5.176,662 9.491,663 0.631,664 480.66,665 3.714,666 5.252,667 6.098,668 6.965,669 7.824,670 8.694,671 9.558,672 10.43,673 11.297,674 12.171,675 5.9,678 1,681 1,682 1,685 1,687 2,688 13,689 1,693 6,695 23,702 1,709 1,712 1,714 68,716 24,717 3,718 40,720 72,721 30,722 21,723 7,724 11,725 1,730 5,731 6,736 1,743 1,745 22,746 8,750 1,755 1,759 1,764 32,765 6,766 1,767 6,773 4,777 0.8,778 2,786 1,793 5,797 1,815 1,819 4,823 2,827 36,833 6,834 1,835 1,838 2,847 2.9,850 1,852 1,854 17.667,855 12.767,856 7.944,857 4.115,858 4.372,859 1.512,860 1.004,861 7.5,862 12.916,863 3.98,864 4.57,865 5.145,866 5.709,867 6.268,868 6.467,869 6.76,870 7.043,871 7.354,872 7.359,873 1,874 57,875 13.315,877 5.586,878 7.556,879 26.013,881 21.446,883 2.056,884 74,888 364.904,889 185.269,890 41.045,892 36.145,895 185.269,896 401.049,897 41.045,898 19.708,899 31.074,900 123.191,901 46.635,902 41.85,904 364.904,906 364.904,907 226.314,908 36.145,911 341.362,912 59.687,915 47.924,916 161.604,917 16.786,919 364.904,920 77.19,921 185.269,924 364.904,925 42.37,926 149.148,927 18.011,928 52.93,929 364.904,930 77.19,931 185.269,933 0.578,934 0.338,935 0.18,936 0.101,937 26,938 11,939 0.097,940 7,941 1,942 1.071,943 4.849,944 333.678,945 0.071,946 28,947 176.117,951 24.299,952 11.111,953 5.889,954 2.291,955 77.19,956 25.973,957 4.69,961 5.71,963 18.011,964 627.363,965 52.5,970 12.608,974 -0.121,975 67.432,976 76.225,977 0.234,978 0.553,979 0.747,980 0.89,981 0.9,982 0.9,983 5.208,984 1.979,985 6.066,986 5.887,987 4.71,988 5.257,989 1.893,990 6.843,991 4.646,992 6.398,993 1.598,994 7.601,995 5.712,996 4.205,997 4.987,998 0.57,999 7.662,1000 4.105,1001 7.691,1002 1.422,1003 9.232,1004 4.491,1005 6.275,1006 7.439,1007 1.709,1008 10.736,1009 6.151,1010 9.018,1011 1.342,1012 10.92,1013 3.472,1014 6.581,1015 8,1016 0.479,1017 12.397,1018 6.424,1019 10.375,1020 1.16,1021 12.645,1022 3.39,1023 8.095,1024 9.921,1025 1.641,1026 14.988,1027 7.919,1028 11.755,1029 1,1030 14.397,1031 2.609,1032 8.792,1033 10.906,1034 0.346,1035 17.028,1036 8.588,1037 13.153,1038 1,1039 16.17,1040 2.275,1041 10.068,1042 12.589,1043 1.626,1044 19.462,1045 9.845,1046 3.139,1047 0.859,1048 17.959,1049 2.275,1050 10.966,1051 13.806,1052 0.237,1053 21.681,1054 10.717,1055 2.87,1056 10.856,1057 19.762,1058 2.036,1059 12.137,1060 15.377,1061 1.645,1062 24.066,1063 11.869,1064 2.684,1065 8.752,1066 21.576,1067 4.474,1068 13.139,1069 16.72,1070 0.158,1071 26.37,1072 12.847,1073 2.617,1074 8.005,1075 23.401,1076 3.795,1077 14.269,1078 18.24,1079 1.689,1080 28.743,1081 13.955,1082 2.4,1083 7.681,1084 25.235,1085 3.65,1086 15.326,1087 19.652,1088 0.104,1089 31.087,1090 14.986,1091 2.337,1092 6.903,1093 27.077,1094 3.249,1095 16.442,1096 21.15,1097 1.749,1098 33.461,1099 16.078,1100 2.062,1101 6.705,1102 28.925,1103 3.062,1104 17.528,1105 22.599,1106 0.068,1107 35.824,1108 17.138,1109 22228,1110 34105,1111 27.334,1112 45.591,1113 59.381,1114 60.582,1115 60.62,1116 59.117,1117 59.148,1118 77.167,1119 7.037,1120 166.589,1121 57.279,1122 5.551,1123 5.573,1124 6.251,1125 5.176,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 14.921,1132 1.485,1133 1.515,1134 1.515,1135 1.478,1136 1.479,1137 1.929,1138 0.176,1139 4.165,1140 1.432,1141 4.097,1142 4.131,1143 4.054,1144 4.017,1145 7.429,1146 4.022,1147 3.977,1148 4.007,1149 3.923,1150 3.898,1151 4.985,1152 3.899,1153 3.886,1154 3.914,1155 3.822,1156 3.818,1157 4.856,1158 3.815,1159 3.778,1160 3.842,1161 3.672,1162 3.595,1163 4.741,1164 3.604,1165 3.52,1166 3.574,1167 3.417,1168 3.415,1169 4.44,1170 3.407,1171 3.409,1172 3.459,1173 3.328,1174 3.219,1175 4.344,1176 3.226,1177 3.309,1178 3.365,1179 3.168,1180 3.099,1181 4.284,1182 3.12,1183 3.145,1184 3.219,1185 2.969,1186 2.953,1187 3.986,1188 2.94,1189 0.114,1190 0.089,1191 0.167,1192 0.103,1193 0.078,1194 4.551,1195 0.112,1196 3.573,1197 0.026,1198 6.695,1199 0.271,1200 4.108,1201 0.076,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.943,1214 1.916,1215 2.059,1216 2.049,1217 1.238,1218 2.053,1219 1.879,1220 1.857,1221 1.99,1222 1.987,1223 1.148,1224 1.989,1225 1.739,1226 1.671,1227 1.932,1228 1.928,1229 1.074,1230 1.934,1231 1.523,1232 1.474,1233 1.734,1234 1.67,1235 0.871,1236 1.692,1237 1.369,1238 1.306,1239 1.63,1240 1.59,1241 0.825,1242 1.597,1243 1.247,1244 1.202,1245 1.573,1246 1.522,1247 0.802,1248 1.54,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.577,1254 1.429,1255 4.394,1257 5.707,1259 7.219,1261 8.817,1263 10.459,1265 3.652,1271 6.021,1272 3.011,1273 5.168,1276 4.998,1280 42.89,1281 96.741,1282 229.068,1283 309.113,1284 368.438,1285 372.438,1286 372.438,1287 53.392,1288 8.544,1289 57.7,1290 57.7,1291 30,1292 12.713,1293 4.644,1294 3.755,1295 54.972,1296 210,1297 212,1298 0.125,1299 261.615,1300 452.06,1301 630.1,1302 80817,1304 24.907,1305 0.692,1306 0.581,1307 24.907,1308 20.906,1309 17.585,1310 0.44,1311 0.312,1312 12.322,1313 17.025,1314 11.971,1315 9.927,1316 17.585,1317 12.469,1318 15.596,1319 0.284,1320 0.168,1321 15.596,1322 9.258,1323 13.316,1324 0.185,1325 0.095,1326 13.316,1327 6.815,1328 10.972,1329 0.119,1330 0.052,1331 10.972,1332 4.766,1333 9.089,1334 0.076,1335 0.029,1336 9.089,1337 3.432,1338 0.206,1339 109.206,1340 0.191,1341 33.914,1342 0.318,1343 190,1344 486.739,1345 203.697,1346 476.344,1347 663.22,1348 450,1349 222,1350 493.182,1351 236.199,1352 504.729,1353 733.89,1354 475,1355 9.3} {0 CHEMBL1632217,1 1.462,2 15.5,3 3.235,4 10.466,5 132.986,6 7.3,7 0.605,8 4.221,9 4.35,10 3.785,11 3.778,12 5.287,13 3.753,14 4.76,15 4.949,16 4.123,17 4.163,18 5.774,19 4.118,20 5.023,21 5.244,22 4.178,23 4.327,24 6,25 4.244,26 5.087,27 5.324,28 4.09,29 4.338,30 6.005,31 4.214,32 5.125,33 5.386,34 4.038,35 4.317,36 5.986,37 4.187,38 5.061,39 5.317,40 3.964,41 4.26,42 5.92,43 4.125,44 4.997,45 5.264,46 3.844,47 4.163,48 5.825,49 4.021,50 4.869,51 5.131,52 3.708,53 4.048,54 5.686,55 3.899,56 0.032,57 0.954,58 12.727,59 5.324,60 8.921,61 7.324,62 0.225,63 1.555,64 24.107,65 8.462,66 24.051,67 12.158,68 0.419,69 1.913,70 33.024,71 11.528,72 44.257,73 16.497,74 0.311,75 1.919,76 35.787,77 13.903,78 45.889,79 19.784,80 0.315,81 1.933,82 38.571,83 14.093,84 47.323,85 20.328,86 0.306,87 1.848,88 35.774,89 13.052,90 43.628,91 18.897,92 0.33,93 1.715,94 34.112,95 12.048,96 43.111,97 17.566,98 0.299,99 1.511,100 29.74,101 10.664,102 35.498,103 15.587,104 5,105 52,106 0.232,107 0.553,108 0.733,109 0.857,110 0.872,111 0.872,112 3.56,113 0.92,114 -3.08,115 -3.07,116 -2.96,119 43.5,120 1,121 1,125 5,140 9,141 2,142 2,143 3,144 3,156 1,169 9,172 7,174 1,176 2,178 11,181 3,182 5,184 1,186 2,189 7,192 2,193 7,195 1,197 2,199 6,203 8,211 2,215 11,218 1,222 1,225 1,226 8,233 2,236 1,237 3,244 4,248 1,249 3,252 1,256 8,259 2104,260 23.447,261 23.447,262 23.447,263 23.447,264 23.447,265 20.593,266 25.439,267 14.027,268 23.898,269 18.803,270 18.803,271 18.803,272 18.803,273 18.803,274 14.557,275 35.162,276 6.711,277 19.51,278 4.492,279 2.472,280 1.343,281 0.561,282 0.464,283 0.464,284 4.272,289 1,290 1168,291 3.24,295 553.39,299 168.227,302 2.412,303 22.571,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 72,315 527,316 4.551,317 3.571,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.195,326 3.28,327 6.054,328 3.832,329 2.851,330 3.743,331 0.8,332 8.719,333 2.792,334 4.018,335 2.918,336 5.808,337 3.638,338 2.673,339 3.601,340 0.8,341 8.005,342 2.606,343 3.855,344 2.79,345 5.585,346 3.56,347 2.6,348 3.249,350 7.658,351 2.464,352 3.544,353 2.623,354 5.324,355 3.308,356 2.37,357 2.743,359 6.885,360 2.224,361 3.415,362 2.284,363 4.99,364 3.058,365 2.088,366 2.701,368 5.935,369 2.022,370 3.315,371 2.231,372 4.949,373 2.969,374 2.009,375 2.49,377 5.716,378 1.923,379 3.16,380 2.145,381 4.558,382 2.671,383 1.696,384 2.385,386 4.491,387 1.642,388 3.027,389 1.651,390 4.177,391 2.573,392 1.596,393 2.241,395 3.9,396 1.558,397 2.777,398 1.476,399 4.036,400 2.398,401 1.418,402 1.849,404 3.465,405 1.386,406 2.684,407 1.324,408 3.52,409 2.222,410 1.233,411 1.762,413 2.714,414 1.219,415 2.534,416 1.279,417 3.421,418 1.995,419 1,420 1.5,422 2.384,423 0.987,424 2.5,425 1.146,426 3.414,427 1.967,428 1,429 1.474,431 2.275,432 0.965,433 2.257,434 1,435 3.372,436 1.91,437 1,438 1.168,440 2.136,441 0.909,442 2,443 0.912,444 3.247,445 1.839,446 0.859,447 1,449 2.035,450 0.84,451 16.233,452 0.477,453 0.691,454 0.02,455 47.25,456 1.39,457 24.5,458 0.721,459 22.75,460 0.669,461 27.522,462 0.809,463 35.367,464 0.57,465 34.922,466 1.027,467 9.353,468 0.275,469 7.3,470 0.215,471 0.051,473 0.296,479 0.79,480 1.412,481 0.79,482 1.097,483 0.581,484 0.966,485 1.041,486 1.183,487 0.93,488 0.958,489 0.6,490 0.923,491 1.072,492 0.939,493 1.065,494 0.963,495 0.823,496 0.997,497 0.726,498 1.071,499 1.002,500 1.156,501 0.757,502 1.124,503 0.959,504 0.964,505 0.958,506 0.986,507 0.98,508 0.978,509 0.903,510 1.022,511 1.04,512 1.068,513 0.882,514 1.07,515 0.984,516 0.97,517 1.05,518 1.008,519 0.959,520 1.033,521 0.884,522 1.024,523 1.087,524 1.073,525 0.848,526 1.099,527 6,528 0.145,529 3.333,530 1.813,531 1.702,532 0.875,533 0.566,534 0.411,535 0.205,536 0.208,537 20502,538 49934,539 2.163,540 45.2,542 19,544 3,545 1,546 3,547 2,550 1.753,551 2.082,552 3.884,553 -0.392,559 90.662,560 1.462,561 3.482,562 4.611,563 5.394,564 5.49,565 5.49,566 3.352,567 4.712,568 5.061,569 4.075,570 2286,571 8.833,572 37373,574 1,577 369.16,578 1.166,579 5.043,580 0.158,581 0.005,582 0.064,583 0.034,584 0.036,585 0.019,586 0.014,587 0.011,588 0.007,589 0.007,590 0.356,591 0.33,592 0.88,593 0.39,594 186.956,595 -0.003,596 -0.245,597 0.069,598 -0.078,599 0.004,600 -0.011,601 -0.038,602 -0.054,603 0.003,604 0.005,605 0.073,606 0.011,607 -0.018,608 0.126,609 -0.1,610 -0.002,611 0.045,612 -0.049,613 0.116,614 -0.11,615 -0.04,616 -0.142,617 0.129,618 -0.116,619 -0.04,620 -0.033,621 0.034,622 0.016,623 0.001,624 0.031,625 -0.035,626 -0.067,627 -0.057,628 -0.074,629 -0.051,630 -0.07,631 -0.065,632 -0.022,633 -0.053,634 -0.024,635 -0.092,636 -0.036,637 -0.019,638 -0.072,639 -0.1,640 -0.084,641 -0.068,642 -0.099,643 1.917,644 5.346,645 0.824,646 41.28,647 0.994,648 1.125,649 1.846,650 3.407,651 0.675,652 3.664,653 3.97,654 4.234,655 4.489,656 4.736,657 4.745,658 4.868,659 4.977,660 5.075,661 5.118,662 8.924,663 0.639,664 452.61,665 3.664,666 5.198,667 6.043,668 6.909,669 7.766,670 8.636,671 9.499,672 10.371,673 11.237,674 12.111,675 9.7,678 1,681 1,682 1,685 3,687 2,688 12,689 3,693 5,695 23,702 1,709 1,714 62,716 24,717 2,718 38,720 66,721 27,722 19,723 5,724 7,725 1,730 5,731 6,736 1,743 1,745 20,746 7,750 1,755 1,759 1,764 28,765 7,766 1,767 7,773 6,777 0.8,778 1,783 1,786 1,793 5,797 1,815 1,819 4,823 1,827 34,833 6,834 1,838 2,847 1.6,850 1,854 16.333,855 11.417,856 7.444,857 3.796,858 4.299,859 1.513,860 1.013,861 6.686,862 12.683,863 3.942,864 4.527,865 5.1,866 5.671,867 6.222,868 6.382,869 6.71,870 7.019,871 7.321,872 7.299,873 1,874 53,875 12.56,877 5.297,878 7.583,879 24.445,881 20.183,883 2.083,884 70.833,888 317.82,889 157.951,890 74.616,892 25.145,895 157.951,896 342.965,897 74.616,898 8.825,899 31.074,900 85.286,901 115.519,902 52.321,904 282.506,906 317.82,907 232.567,908 25.145,911 294.278,912 48.687,915 77.823,916 104.387,917 50.357,919 317.82,920 99.761,921 157.951,924 317.82,925 36.697,926 127.502,927 18.011,928 75.502,929 317.82,930 99.761,931 157.951,933 0.576,934 0.334,935 0.183,936 0.103,937 25,938 10,939 0.091,940 6,941 1,942 1.071,943 4.702,944 310.599,945 0.071,946 28,947 166.974,951 22.306,952 10.191,953 5.372,954 2.285,955 99.761,956 23.243,957 12.69,961 4.61,963 18.011,964 575.532,965 50.5,970 12.346,974 -0.25,975 61.658,976 69.766,977 0.246,978 0.585,979 0.774,980 0.906,981 0.922,982 0.922,983 5.163,984 1.696,985 6.004,986 5.716,987 4.654,988 5.215,989 1.641,990 6.777,991 4.585,992 6.348,993 1.596,994 7.533,995 4.491,996 4.111,997 4.89,998 0.57,999 7.582,1000 4.011,1001 7.636,1002 1.418,1003 9.161,1004 3.9,1005 6.209,1006 7.387,1007 1.488,1008 10.679,1009 6.071,1010 8.957,1011 1.233,1012 10.849,1013 3.465,1014 6.494,1015 7.916,1016 0.479,1017 12.349,1018 6.331,1019 10.311,1020 1,1021 12.577,1022 2.714,1023 8.029,1024 9.868,1025 1.47,1026 14.951,1027 7.831,1028 11.689,1029 1,1030 14.333,1031 2.384,1032 8.719,1033 10.839,1034 0.346,1035 17.002,1036 8.499,1037 13.086,1038 1,1039 16.111,1040 2.275,1041 10.008,1042 12.54,1043 1.501,1044 19.441,1045 9.755,1046 3.139,1047 0.859,1048 17.906,1049 2.136,1050 10.905,1051 13.754,1052 0.237,1053 21.667,1054 10.63,1055 2.851,1056 10.856,1057 19.715,1058 2.035,1059 12.085,1060 15.335,1061 1.556,1062 24.055,1063 11.779,1064 2.673,1065 8.719,1066 21.535,1067 4.474,1068 13.089,1069 16.68,1070 0.158,1071 26.362,1072 12.759,1073 2.6,1074 8.005,1075 23.365,1076 3.743,1077 14.224,1078 18.206,1079 1.626,1080 28.737,1081 13.866,1082 2.37,1083 7.658,1084 25.204,1085 3.601,1086 15.284,1087 19.62,1088 0.104,1089 31.082,1090 14.899,1091 2.088,1092 6.885,1093 27.05,1094 3.249,1095 16.403,1096 21.123,1097 1.706,1098 33.457,1099 15.99,1100 2.009,1101 5.935,1102 28.903,1103 2.743,1104 17.492,1105 22.575,1106 0.068,1107 35.821,1108 17.052,1109 18846,1110 29609,1111 26.235,1112 41.864,1113 56.668,1114 57.404,1115 57.09,1116 56.305,1117 56.307,1118 74.154,1119 5.317,1120 157.355,1121 54.375,1122 5.551,1123 5.571,1124 6.497,1125 5.176,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 11.526,1132 1.491,1133 1.511,1134 1.502,1135 1.482,1136 1.482,1137 1.951,1138 0.14,1139 4.141,1140 1.431,1141 4.095,1142 4.13,1143 4.053,1144 4.016,1145 7.429,1146 4.021,1147 3.962,1148 3.998,1149 3.905,1150 3.879,1151 4.992,1152 3.878,1153 3.829,1154 3.883,1155 3.777,1156 3.66,1157 4.966,1158 3.686,1159 3.773,1160 3.836,1161 3.67,1162 3.594,1163 4.742,1164 3.603,1165 3.519,1166 3.573,1167 3.416,1168 3.415,1169 4.44,1170 3.407,1171 3.378,1172 3.445,1173 3.275,1174 3.21,1175 4.285,1176 3.207,1177 3.252,1178 3.301,1179 3.143,1180 3.037,1181 4.038,1182 3.063,1183 3.111,1184 3.206,1185 2.937,1186 2.951,1187 3.983,1188 2.936,1189 0.12,1190 0.094,1191 0.176,1192 0.108,1193 0.083,1194 4.551,1195 0.118,1196 3.571,1197 0.028,1198 6.695,1199 0.286,1200 4.108,1201 0.08,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.933,1214 1.903,1215 2.055,1216 2.044,1217 1.238,1218 2.048,1219 1.759,1220 1.708,1221 1.937,1222 1.965,1223 1.146,1224 1.955,1225 1.73,1226 1.667,1227 1.84,1228 1.912,1229 0.878,1230 1.903,1231 1.523,1232 1.474,1233 1.733,1234 1.669,1235 0.825,1236 1.692,1237 1.364,1238 1.296,1239 1.628,1240 1.566,1241 0.803,1242 1.588,1243 1.163,1244 1.12,1245 1.513,1246 1.422,1247 0.761,1248 1.429,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.396,1255 4.344,1257 5.652,1259 7.162,1261 8.759,1263 10.4,1265 2.034,1271 5.984,1272 2.912,1276 4.979,1280 39.638,1281 90.662,1282 215.889,1283 285.902,1284 334.405,1285 340.405,1286 340.405,1287 47.71,1288 8.384,1289 74.25,1290 74.25,1291 30,1292 12.653,1293 4.644,1294 3.755,1295 50.446,1296 187,1297 166,1298 0.129,1299 242.43,1300 413.37,1301 583.289,1302 65571,1304 23.33,1305 0.686,1306 0.568,1307 23.33,1308 19.315,1309 16.653,1310 0.438,1311 0.307,1312 11.517,1313 16.107,1314 11.24,1315 9.295,1316 16.653,1317 11.656,1318 14.805,1319 0.285,1320 0.166,1321 14.805,1322 8.62,1323 12.497,1324 0.184,1325 0.092,1326 12.497,1327 6.258,1328 10.509,1329 0.119,1330 0.05,1331 10.509,1332 4.432,1333 8.768,1334 0.078,1335 0.028,1336 8.768,1337 3.203,1338 0.212,1339 103.453,1340 0.195,1341 32.286,1342 0.331,1343 180,1344 470.294,1345 193.926,1346 464.332,1347 646.59,1348 438,1349 210,1350 483.214,1351 225.01,1352 492.878,1353 717.05,1354 465,1355 9.699} {0 CHEMBL1632218,1 1.519,2 15.5,3 4.253,4 18.085,5 138.893,6 7.487,7 0.579,8 4.232,9 4.356,10 3.853,11 3.832,12 5.262,13 3.779,14 4.781,15 4.966,16 4.218,17 4.22,18 5.765,19 4.149,20 5.022,21 5.239,22 4.189,23 4.351,24 5.98,25 4.25,26 5.098,27 5.33,28 4.155,29 4.365,30 5.981,31 4.234,32 5.131,33 5.393,34 4.066,35 4.344,36 5.965,37 4.2,38 5.078,39 5.33,40 4.025,41 4.293,42 5.947,43 4.146,44 5.006,45 5.27,46 3.911,47 4.21,48 5.803,49 4.043,50 4.868,51 5.121,52 3.786,53 4.097,54 5.671,55 3.927,56 0.04,57 0.949,58 13.505,59 5.867,60 8.116,61 7.748,62 0.233,63 1.595,64 27.029,65 9.657,66 23.043,67 13.14,68 0.414,69 1.939,70 35.683,71 12.429,72 42.987,73 16.865,74 0.276,75 1.966,76 37.684,77 14.442,78 36.443,79 20.123,80 0.29,81 1.98,82 40.241,83 15.149,84 42.256,85 21.125,86 0.355,87 1.908,88 37.638,89 13.77,90 47.862,91 19.069,92 0.324,93 1.773,94 37.429,95 13.548,96 39.216,97 18.481,98 0.29,99 1.551,100 31.441,101 11.662,102 32.621,103 16.043,104 10,105 53,106 0.241,107 0.559,108 0.728,109 0.854,110 0.864,111 0.864,112 3.56,113 0.994,114 -3.91,115 -3.86,116 -3.66,119 42.9,120 2,121 1,125 5,140 9,141 2,142 2,144 3,149 1,156 1,159 1,169 9,172 9,174 1,176 2,178 12,181 2,182 5,184 1,186 2,189 7,192 1,193 8,197 3,199 6,203 9,208 1,211 2,215 9,218 1,222 3,225 1,226 6,233 6,236 1,237 1,244 8,248 1,249 3,252 1,256 10,259 2102,260 23.187,261 23.187,262 23.187,263 23.187,264 23.187,265 20.438,266 27.865,267 13.664,268 23.797,269 18.786,270 18.786,271 18.786,272 18.786,273 18.786,274 14.635,275 36.632,276 6.539,277 19.748,278 4.458,279 2.451,280 1.385,281 0.595,282 0.532,283 0.532,284 4.269,289 1,290 1167,291 3.317,294 104.964,295 431.992,299 168.959,302 2.412,303 21.546,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 71.5,315 527,316 4.551,317 3.577,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.258,326 3.28,327 6.096,328 3.861,329 2.9,330 3.856,331 0.8,332 8.884,333 2.795,334 4.054,335 2.918,336 5.808,337 3.656,338 2.691,339 3.66,340 0.8,341 8.005,342 2.611,343 3.855,344 2.793,345 5.596,346 3.565,347 2.62,348 3.249,350 7.714,351 2.464,352 3.591,353 2.64,354 5.327,355 3.314,356 2.379,357 2.866,359 6.897,360 2.226,361 3.518,362 2.605,363 5.069,364 3.142,365 2.211,366 2.735,368 6.169,369 2.049,370 3.351,371 2.272,372 4.961,373 3.001,374 2.042,375 2.563,377 5.731,378 1.941,379 3.248,380 2.205,381 4.86,382 2.881,383 1.919,384 2.439,386 5.474,387 1.815,388 3.027,389 1.669,390 4.558,391 2.574,392 1.597,393 2.242,395 4.49,396 1.559,397 2.778,398 1.65,399 4.036,400 2.399,401 1.419,402 1.85,404 3.467,405 1.387,406 2.693,407 1.476,408 3.878,409 2.239,410 1.254,411 1.768,413 3.001,414 1.232,415 2.569,416 1.279,417 3.493,418 2.051,419 1.068,420 1.524,422 2.559,423 1.032,424 2.257,425 1.146,426 3.414,427 1.967,428 1,429 1.168,431 2.275,432 0.965,433 2.166,434 0.912,435 3.372,436 1.839,437 0.859,438 1,440 2.036,441 0.84,442 2,443 0.736,444 3.266,445 1.6,446 0.669,447 0.99,449 1.642,450 0.608,451 16.667,452 0.49,453 0.797,454 0.023,455 44.75,456 1.316,457 22.5,458 0.662,459 22.25,460 0.654,461 30.631,462 0.901,463 35.533,464 0.564,465 32.315,466 0.95,467 8.598,468 0.253,469 7.949,470 0.234,471 0.08,473 0.318,479 0.784,480 1.313,481 0.77,482 0.991,483 0.604,484 0.944,485 0.965,486 1.17,487 0.88,488 0.938,489 0.541,490 0.892,491 1.196,492 0.954,493 1.086,494 0.964,495 0.878,496 1.003,497 0.797,498 1.129,499 0.843,500 1.08,501 0.859,502 1.115,503 0.888,504 0.962,505 0.814,506 0.903,507 0.857,508 0.957,509 1.155,510 0.956,511 0.911,512 0.909,513 1.224,514 1.024,515 0.98,516 0.947,517 0.997,518 0.966,519 0.948,520 1.01,521 0.903,522 1.016,523 1.015,524 1.021,525 0.873,526 1.105,527 7,528 0.14,529 3.556,530 1.972,531 1.921,532 0.778,533 0.676,534 0.428,535 0.244,536 0.243,537 20425,538 49687,539 2.145,540 46,542 19,543 1,545 1,546 6,547 2,550 1.753,551 2.04,552 3.882,553 -0.392,559 95.696,560 1.519,561 3.526,562 4.592,563 5.382,564 5.445,565 5.445,566 3.352,567 4.83,568 5.061,569 4.075,570 2286,571 8.833,572 37362.2,577 376.569,578 1.286,579 5.033,580 0.184,581 0.005,582 0.067,583 0.038,584 0.041,585 0.017,586 0.016,587 0.012,588 0.008,589 0.009,590 0.397,591 0.33,592 0.75,593 0.459,594 186.949,595 0.004,596 -0.178,597 0.079,598 -0.017,599 -0.022,600 0.008,601 0.038,602 -0.059,603 0.067,604 0.024,605 0.118,606 0.049,607 -0.076,608 0.118,609 -0.158,610 -0.037,611 0.022,612 -0.068,613 0.068,614 -0.176,615 -0.01,616 -0.162,617 0.046,618 -0.133,619 -0.01,620 -0.036,621 0.044,622 0.014,623 0.034,624 0.033,625 -0.102,626 0.004,627 -0.047,628 -0.008,629 -0.13,630 -0.058,631 -0.056,632 0.006,633 -0.034,634 -0.001,635 -0.084,636 -0.02,637 -0.028,638 -0.055,639 -0.091,640 -0.07,641 -0.088,642 -0.119,643 1.823,644 5.406,645 0.794,646 41.215,647 0.992,648 1.121,649 2.676,650 7.162,651 0.687,652 3.664,653 3.989,654 4.248,655 4.511,656 4.727,657 4.754,658 4.86,659 4.99,660 5.081,661 5.13,662 8.924,663 0.64,664 471.68,665 3.664,666 5.209,667 6.057,668 6.93,669 7.791,670 8.666,671 9.532,672 10.408,673 11.277,674 12.154,675 7.9,678 1,681 1,682 1,685 2,687 2,688 10,689 2,692 1,693 6,695 22,702 1,709 1,714 63,716 23,717 2,718 38,720 67,721 27,722 18,723 5,724 7,725 1,730 5,731 6,736 2,743 1,745 19,746 8,750 1,755 1,759 1,764 29,765 6,766 1,767 7,768 1,773 5,777 0.8,778 1,786 1,792 1,793 4,797 1,815 1,819 4,821 1,823 2,827 34,833 6,834 1,838 2,841 1,847 1.6,850 1,854 16.667,855 11.967,856 7.361,857 3.882,858 4.094,859 1.488,860 1.015,861 6.889,862 12.477,863 3.932,864 4.535,865 5.107,866 5.684,867 6.171,868 6.377,869 6.666,870 7.024,871 7.314,872 7.292,873 1,874 52,875 12.59,877 5.325,878 7.539,879 24.674,881 20.548,883 2.039,884 69.333,888 329.591,889 179.49,890 57.83,892 25.145,894 31.278,895 148.213,896 354.736,897 57.83,898 17.65,899 31.074,900 92.935,901 64.35,902 25.178,903 11.771,904 349.097,906 329.591,907 206.043,908 25.145,909 31.278,911 306.049,912 48.687,915 60.436,916 112.036,917 33.571,918 31.278,919 329.591,920 82.975,921 179.49,924 329.591,925 68.905,926 116.834,927 18.011,928 58.716,929 329.591,930 82.975,931 179.49,933 0.583,934 0.336,935 0.183,936 0.101,937 26,938 11,939 0.09,940 6,941 1,942 1.074,943 4.677,944 311.768,945 0.074,946 27,947 166.974,948 1,951 22.949,952 10.207,953 5.479,954 2.296,955 82.975,956 20.63,957 8.954,960 1.486,961 5.747,963 18.011,964 592.057,965 50,970 12.406,974 -0.156,975 62.516,976 70.603,977 0.254,978 0.59,979 0.768,980 0.9,981 0.911,982 0.911,983 5.168,984 1.919,985 6.033,986 5.731,987 4.673,988 5.223,989 1.641,990 6.817,991 4.583,992 6.365,993 1.597,994 7.572,995 5.474,996 4.205,997 4.987,998 0.57,999 7.636,1000 4.078,1001 7.663,1002 1.419,1003 9.206,1004 4.49,1005 6.244,1006 7.412,1007 1.488,1008 10.722,1009 6.073,1010 8.994,1011 1.254,1012 10.896,1013 3.467,1014 6.581,1015 8.018,1016 0.479,1017 12.388,1018 6.374,1019 10.356,1020 1.068,1021 12.623,1022 3.001,1023 8.076,1024 9.906,1025 1.47,1026 14.987,1027 7.835,1028 11.74,1029 1,1030 14.378,1031 2.559,1032 8.796,1033 10.932,1034 0.346,1035 17.032,1036 8.524,1037 13.142,1038 0.859,1039 16.153,1040 2.275,1041 10.062,1042 12.588,1043 1.501,1044 19.47,1045 9.76,1046 3.139,1047 0.669,1048 17.945,1049 2.036,1050 10.976,1051 13.834,1052 0.237,1053 21.691,1054 10.645,1055 2.9,1056 10.856,1057 19.751,1058 1.642,1059 12.144,1060 15.386,1061 1.556,1062 24.078,1063 11.785,1064 2.691,1065 8.884,1066 21.569,1067 4.474,1068 13.157,1069 16.747,1070 0.158,1071 26.382,1072 12.769,1073 2.62,1074 8.005,1075 23.396,1076 3.856,1077 14.286,1078 18.255,1079 1.626,1080 28.755,1081 13.871,1082 2.379,1083 7.714,1084 25.233,1085 3.66,1086 15.349,1087 19.677,1088 0.104,1089 31.098,1090 14.907,1091 2.211,1092 6.897,1093 27.077,1094 3.249,1095 16.465,1096 21.168,1097 1.706,1098 33.471,1099 15.996,1100 2.042,1101 6.169,1102 28.928,1103 2.866,1104 17.556,1105 22.621,1106 0.068,1107 35.833,1108 17.058,1109 18813,1110 29548,1111 25.948,1112 43.267,1113 57.258,1114 57.826,1115 57.965,1116 56.685,1117 56.781,1118 74.166,1119 5.317,1120 161.4,1121 54.188,1122 5.551,1123 5.577,1124 6.251,1125 5.196,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 14.285,1132 1.507,1133 1.522,1134 1.525,1135 1.492,1136 1.494,1137 1.952,1138 0.14,1139 4.247,1140 1.426,1141 4.096,1142 4.13,1143 4.222,1144 4.017,1145 7.429,1146 4.021,1147 3.964,1148 3.997,1149 4.05,1150 3.897,1151 4.984,1152 3.884,1153 3.842,1154 3.874,1155 3.875,1156 3.821,1157 4.803,1158 3.758,1159 3.774,1160 3.83,1161 3.673,1162 3.595,1163 4.729,1164 3.604,1165 3.519,1166 3.573,1167 3.419,1168 3.415,1169 4.44,1170 3.407,1171 3.378,1172 3.443,1173 3.342,1174 3.216,1175 4.285,1176 3.21,1177 3.26,1178 3.317,1179 3.16,1180 3.068,1181 3.989,1182 3.074,1183 3.111,1184 3.206,1185 2.938,1186 2.951,1187 3.916,1188 2.937,1189 0.12,1190 0.094,1191 0.176,1192 0.108,1193 0.083,1194 4.551,1195 0.118,1196 3.577,1197 0.028,1198 6.695,1199 0.286,1200 4.108,1201 0.08,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.931,1214 1.901,1215 2.055,1216 2.038,1217 1.238,1218 2.045,1219 1.741,1220 1.673,1221 1.936,1222 1.943,1223 1.146,1224 1.945,1225 1.528,1226 1.49,1227 1.734,1228 1.719,1229 0.876,1230 1.706,1231 1.501,1232 1.467,1233 1.682,1234 1.662,1235 0.825,1236 1.682,1237 1.46,1238 1.431,1239 1.634,1240 1.582,1241 0.802,1242 1.627,1243 1.342,1244 1.276,1245 1.513,1246 1.516,1247 0.796,1248 1.547,1249 1.153,1250 1.064,1251 1.507,1252 1.376,1253 0.606,1254 1.429,1255 4.344,1257 5.666,1258 2.398,1259 7.175,1260 4.595,1261 8.769,1262 6.555,1263 10.408,1265 3.943,1271 6.056,1272 2.972,1276 5,1280 40.33,1281 95.696,1282 222.152,1283 289.31,1284 339.059,1285 343.059,1286 343.059,1287 48.715,1288 8.384,1289 61.36,1290 89.6,1291 29,1292 12.694,1293 4.585,1294 3.7,1295 50.456,1296 187,1297 168,1298 0.13,1299 249.694,1300 423.52,1301 601.013,1302 65008,1304 23.493,1305 0.691,1306 0.601,1307 23.847,1308 20.438,1309 16.547,1310 0.435,1311 0.331,1312 11.668,1313 15.583,1314 11.24,1315 9.297,1316 17.001,1317 12.591,1318 15.085,1319 0.285,1320 0.186,1321 15.722,1322 9.844,1323 12.582,1324 0.182,1325 0.103,1326 13.181,1327 7.088,1328 10.574,1329 0.117,1330 0.056,1331 11.19,1332 5.076,1333 8.603,1334 0.077,1335 0.031,1336 9.035,1337 3.526,1338 0.213,1339 106.812,1340 0.196,1341 32.268,1342 0.331,1343 182,1344 459.509,1345 217.711,1346 474.903,1347 662.18,1348 448,1349 213,1350 481.853,1351 243.603,1352 505.76,1353 737.95,1354 477,1355 9.4} {0 CHEMBL1632219,1 1.519,2 14.971,3 4.137,4 17.117,5 139.293,6 7.487,7 0.579,8 4.232,9 4.356,10 3.853,11 3.832,12 5.264,13 3.779,14 4.781,15 4.966,16 4.216,17 4.224,18 5.758,19 4.152,20 5.02,21 5.234,22 4.254,23 4.361,24 5.951,25 4.264,26 5.117,27 5.345,28 4.154,29 4.393,30 6.039,31 4.251,32 5.156,33 5.418,34 4.073,35 4.356,36 6.002,37 4.208,38 5.067,39 5.321,40 4.038,41 4.313,42 5.889,43 4.155,44 5.009,45 5.266,46 3.917,47 4.222,48 5.826,49 4.057,50 4.907,51 5.17,52 3.756,53 4.103,54 5.684,55 3.927,56 0.04,57 0.949,58 13.505,59 5.867,60 8.561,61 7.748,62 0.24,63 1.593,64 27.056,65 9.659,66 23.114,67 13.136,68 0.353,69 1.931,70 34.775,71 12.099,72 32.611,73 16.734,74 0.305,75 2.021,76 40.348,77 15.617,78 44.705,79 20.978,80 0.388,81 2.015,82 41.468,83 15.14,84 53.187,85 20.92,86 0.281,87 1.901,88 38.742,89 14.619,90 37.044,91 20.008,92 0.318,93 1.785,94 36.179,95 13.284,96 40.385,97 18.287,98 0.3,99 1.595,100 34.329,101 12.49,102 32.997,103 17.07,104 10,105 53,106 0.241,107 0.554,108 0.723,109 0.839,110 0.864,111 0.864,112 3.56,113 0.994,114 -3.91,115 -3.86,116 -3.66,119 42.9,120 2,121 1,125 5,140 9,141 2,142 2,144 3,150 1,156 1,158 1,169 9,172 9,174 1,176 2,178 11,181 1,182 6,186 3,189 8,192 2,193 8,195 1,197 3,199 6,203 6,211 4,215 9,218 1,222 5,225 1,226 6,233 6,236 1,237 3,244 6,249 4,252 1,256 8,259 2080,260 23.239,261 23.239,262 23.239,263 23.239,264 23.239,265 20.463,266 27.865,267 13.684,268 23.834,269 18.77,270 18.77,271 18.77,272 18.77,273 18.77,274 14.613,275 37.357,276 6.504,277 19.708,278 4.458,279 2.483,280 1.417,281 0.691,282 0.532,283 0.532,284 4.269,289 1,290 1126,291 3.317,294 104.964,295 429.709,299 168.302,302 2.329,303 21.677,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 71.5,315 509,316 4.551,317 3.604,318 6.695,319 4.108,320 3.139,321 4.474,322 1.058,323 10.856,324 3.046,325 4.344,326 3.28,327 6.403,328 3.936,329 2.989,330 3.96,331 0.8,332 9.698,333 2.828,334 4.063,335 2.92,336 5.808,337 3.675,338 2.702,339 3.667,340 0.8,341 8.006,342 2.633,343 3.855,344 2.8,345 5.62,346 3.569,347 2.625,348 3.249,350 7.785,351 2.465,352 3.556,353 2.667,354 5.332,355 3.316,356 2.378,357 2.762,359 6.904,360 2.232,361 3.465,362 2.609,363 5.079,364 3.118,365 2.147,366 2.725,368 6.128,369 2.075,370 3.329,371 2.27,372 4.959,373 2.989,374 2.027,375 2.494,377 5.725,378 1.942,379 3.177,380 2.201,381 4.707,382 2.767,383 1.774,384 2.37,386 4.839,387 1.75,388 3.027,389 1.651,390 4.558,391 2.573,392 1.596,393 2.24,395 4.488,396 1.558,397 2.776,398 1.476,399 4.036,400 2.398,401 1.418,402 1.846,404 3.466,405 1.386,406 2.672,407 1.329,408 3.682,409 2.208,410 1.217,411 1.747,413 2.722,414 1.205,415 2.562,416 1.279,417 3.493,418 1.967,419 1.135,420 1.587,422 2.538,423 0.965,424 2.268,425 1.146,426 3.414,427 1.949,428 1,429 1.169,431 2.275,432 0.903,433 2.257,434 1.037,435 3.376,436 1.839,437 0.86,438 1.101,440 2.036,441 0.84,442 2,443 0.912,444 3.371,445 1.666,446 0.759,447 1,449 1.934,450 0.672,451 16.667,452 0.49,453 0.78,454 0.023,455 44.75,456 1.316,457 22.5,458 0.662,459 22.25,460 0.654,461 30.868,462 0.908,463 35.533,464 0.564,465 32.3,466 0.95,467 8.615,468 0.253,469 7.949,470 0.234,471 0.08,473 0.318,479 0.784,480 1.313,481 0.77,482 0.991,483 0.595,484 0.944,485 0.98,486 1.131,487 0.885,488 0.919,489 0.557,490 0.88,491 1.181,492 0.999,493 0.922,494 0.927,495 0.931,496 0.985,497 0.73,498 1.153,499 1.053,500 1.203,501 0.721,502 1.164,503 1.215,504 0.861,505 0.852,506 0.816,507 1.337,508 0.928,509 0.787,510 0.998,511 0.949,512 1.008,513 0.712,514 1.034,515 1.009,516 0.982,517 0.982,518 0.978,519 0.995,520 1.064,521 0.835,522 1.024,523 1.062,524 1.062,525 0.79,526 1.077,527 6.5,528 0.17,529 3.778,530 2.125,531 1.761,532 0.864,533 0.635,534 0.441,535 0.237,536 0.207,537 20297,538 49411,539 2.145,540 46,542 19,544 1,545 1,546 6,547 2,550 1.753,551 2.04,552 3.83,553 -0.392,559 95.696,560 1.519,561 3.494,562 4.56,563 5.287,564 5.445,565 5.445,566 3.282,567 4.83,568 5.062,569 4.054,570 2274.38,571 8.834,572 37120.5,577 376.569,578 1.286,579 5.033,580 0.171,581 0.006,582 0.071,583 0.04,584 0.037,585 0.02,586 0.015,587 0.012,588 0.008,589 0.008,590 0.387,591 0.33,592 0.75,593 0.459,594 186.744,595 0.004,596 -0.178,597 0.079,598 -0.017,599 -0.013,600 0.008,601 0.023,602 -0.018,603 0.063,604 0.044,605 0.102,606 0.061,607 -0.102,608 0.061,609 -0.042,610 -0.02,611 -0.052,612 -0.048,613 0.135,614 -0.184,615 -0.104,616 -0.214,617 0.174,618 -0.169,619 -0.129,620 0.07,621 0.017,622 0.091,623 -0.116,624 0.049,625 0.007,626 -0.044,627 -0.015,628 -0.04,629 -0.004,630 -0.036,631 -0.08,632 -0.024,633 -0.071,634 -0.042,635 -0.122,636 -0.084,637 0.01,638 -0.078,639 -0.086,640 -0.081,641 -0.034,642 -0.077,643 1.757,644 5.501,645 0.794,646 40.491,647 0.992,648 1.121,649 2.676,650 7.162,651 0.687,652 3.664,653 3.989,654 4.263,655 4.522,656 4.71,657 4.754,658 4.868,659 4.99,660 5.081,661 5.13,662 8.857,663 0.64,664 471.68,665 3.664,666 5.209,667 6.061,668 6.936,669 7.799,670 8.677,671 9.544,672 10.422,673 11.292,674 12.171,675 7.9,678 1,681 1,682 1,685 2,687 2,688 10,689 2,692 1,693 6,695 22,702 1,709 1,714 63,716 23,717 2,718 38,720 67,721 27,722 18,723 5,724 7,725 1,730 5,731 6,736 2,743 1,745 19,746 8,750 1,755 1,759 1,764 29,765 6,766 1,767 7,768 1,773 5,777 0.8,778 1,786 1,792 1,793 4,797 1,815 1,819 4,821 1,823 2,827 34,833 6,834 1,838 2,841 1,847 1.6,850 1,854 16.667,855 11.967,856 7.389,857 3.878,858 4.116,859 1.491,860 1.015,861 6.889,862 12.499,863 3.932,864 4.535,865 5.116,866 5.692,867 6.152,868 6.372,869 6.681,870 7.022,871 7.313,872 7.291,873 0.9,874 53,875 12.589,877 5.324,878 7.539,879 24.674,881 20.561,883 2.039,884 69.333,888 329.591,889 179.49,890 57.83,892 25.145,894 31.278,895 148.213,896 354.736,897 57.83,898 17.65,899 31.074,900 85.286,901 82.412,902 25.178,903 1.358,904 349.097,906 329.591,907 206.043,908 25.145,909 31.278,911 306.049,912 48.687,915 66.726,916 105.746,917 33.571,918 31.278,919 329.591,920 82.975,921 179.49,924 329.591,925 69.333,926 116.406,927 18.011,928 58.716,929 329.591,930 82.975,931 179.49,933 0.583,934 0.342,935 0.187,936 0.097,937 26,938 11,939 0.09,940 6,941 1,942 1.074,943 4.66,944 312.83,945 0.074,946 27,947 166.974,948 1,951 22.949,952 10.207,953 5.317,954 2.298,955 82.975,956 20.579,957 8.854,960 1.372,961 5.839,963 18.011,964 592.057,965 50,970 12.501,974 -0.091,975 62.516,976 70.603,977 0.254,978 0.585,979 0.763,980 0.884,981 0.911,982 0.911,983 5.168,984 1.774,985 6.038,986 5.725,987 4.673,988 5.223,989 1.641,990 6.832,991 4.585,992 6.365,993 1.596,994 7.584,995 4.839,996 4.205,997 4.987,998 0.57,999 7.687,1000 4.085,1001 7.665,1002 1.418,1003 9.228,1004 4.488,1005 6.252,1006 7.418,1007 1.488,1008 10.782,1009 6.083,1010 8.999,1011 1.217,1012 10.932,1013 3.466,1014 6.608,1015 8.04,1016 0.479,1017 12.489,1018 6.397,1019 10.367,1020 1.135,1021 12.674,1022 2.722,1023 8.103,1024 9.926,1025 1.47,1026 15.094,1027 7.856,1028 11.757,1029 1,1030 14.444,1031 2.538,1032 8.848,1033 10.969,1034 0.346,1035 17.164,1036 8.556,1037 13.166,1038 0.86,1039 16.235,1040 2.275,1041 10.114,1042 12.622,1043 1.501,1044 19.605,1045 9.791,1046 3.139,1047 0.759,1048 18.042,1049 2.036,1050 11.049,1051 13.879,1052 0.237,1053 21.836,1054 10.684,1055 2.989,1056 10.856,1057 19.862,1058 1.934,1059 12.219,1060 15.429,1061 1.556,1062 24.221,1063 11.823,1064 2.702,1065 9.698,1066 21.693,1067 4.474,1068 13.247,1069 16.796,1070 0.158,1071 26.525,1072 12.813,1073 2.625,1074 8.006,1075 23.533,1076 3.96,1077 14.38,1078 18.302,1079 1.626,1080 28.894,1081 13.915,1082 2.378,1083 7.785,1084 25.38,1085 3.667,1086 15.453,1087 19.725,1088 0.104,1089 31.231,1090 14.952,1091 2.147,1092 6.904,1093 27.234,1094 3.249,1095 16.573,1096 21.214,1097 1.706,1098 33.598,1099 16.042,1100 2.027,1101 6.128,1102 29.093,1103 2.762,1104 17.67,1105 22.666,1106 0.068,1107 35.952,1108 17.105,1109 18694,1110 29372,1111 25.948,1112 43.267,1113 57.231,1114 57.861,1115 58.169,1116 56.698,1117 56.777,1118 74.176,1119 5.317,1120 161.804,1121 54.21,1122 5.551,1123 5.604,1124 6.251,1125 5.205,1126 5.139,1127 7.474,1128 2.117,1129 18.031,1130 5.046,1131 14.171,1132 1.506,1133 1.523,1134 1.531,1135 1.492,1136 1.494,1137 1.952,1138 0.14,1139 4.258,1140 1.427,1141 4.096,1142 4.13,1143 4.23,1144 4.017,1145 7.429,1146 4.021,1147 3.966,1148 3.997,1149 4.05,1150 3.903,1151 4.984,1152 3.887,1153 3.846,1154 3.876,1155 3.87,1156 3.822,1157 4.819,1158 3.766,1159 3.774,1160 3.832,1161 3.672,1162 3.595,1163 4.736,1164 3.604,1165 3.519,1166 3.573,1167 3.416,1168 3.415,1169 4.44,1170 3.407,1171 3.369,1172 3.439,1173 3.272,1174 3.207,1175 4.285,1176 3.2,1177 3.22,1178 3.275,1179 3.131,1180 2.974,1181 3.989,1182 3.003,1183 3.111,1184 3.206,1185 2.994,1186 2.946,1187 3.916,1188 2.934,1189 0.12,1190 0.095,1191 0.176,1192 0.108,1193 0.083,1194 4.551,1195 0.118,1196 3.604,1197 0.028,1198 6.695,1199 0.286,1200 4.108,1201 0.08,1202 3.139,1203 4.474,1204 1.058,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.932,1214 1.901,1215 2.054,1216 2.037,1217 1.238,1218 2.045,1219 1.742,1220 1.673,1221 1.936,1222 1.943,1223 1.147,1224 1.945,1225 1.589,1226 1.57,1227 1.748,1228 1.743,1229 0.891,1230 1.747,1231 1.522,1232 1.473,1233 1.732,1234 1.666,1235 0.846,1236 1.69,1237 1.363,1238 1.296,1239 1.629,1240 1.566,1241 0.825,1242 1.589,1243 1.283,1244 1.251,1245 1.513,1246 1.456,1247 0.801,1248 1.467,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.481,1254 1.429,1255 4.344,1257 5.666,1258 2.398,1259 7.18,1260 4.595,1261 8.78,1262 6.555,1263 10.426,1265 3.899,1271 6.068,1272 3.012,1276 5.003,1280 40.33,1281 95.696,1282 220.152,1283 287.31,1284 333.059,1285 343.059,1286 343.059,1287 49.395,1288 8.384,1289 61.36,1290 89.6,1291 29,1292 12.71,1293 4.585,1294 3.7,1295 50.45,1296 186,1297 154,1298 0.13,1299 249.694,1300 423.52,1301 601.013,1302 65008,1304 23.493,1305 0.691,1306 0.601,1307 23.847,1308 20.438,1309 16.564,1310 0.436,1311 0.331,1312 11.662,1313 15.641,1314 11.232,1315 9.298,1316 17.018,1317 12.587,1318 14.979,1319 0.283,1320 0.182,1321 15.536,1322 9.651,1323 12.701,1324 0.181,1325 0.105,1326 13.474,1327 7.342,1328 10.808,1329 0.119,1330 0.057,1331 11.537,1332 5.226,1333 8.365,1334 0.076,1335 0.031,1336 8.753,1337 3.428,1338 0.214,1339 106.959,1340 0.196,1341 32.223,1342 0.334,1343 182,1344 459.509,1345 217.377,1346 475.097,1347 661.92,1348 448,1349 214,1350 480.501,1351 248.361,1352 505.71,1353 738.51,1354 476,1355 9.6} {0 CHEMBL1632220,1 1.417,2 14.613,3 3.788,4 14.35,5 125.82,6 6.736,7 0.5,8 4.201,9 4.342,10 3.688,11 3.725,12 5.199,13 3.685,14 4.76,15 4.967,16 4.021,17 4.114,18 5.719,19 4.046,20 5.026,21 5.267,22 4.063,23 4.284,24 5.898,25 4.183,26 5.082,27 5.329,28 4.01,29 4.306,30 5.938,31 4.17,32 5.125,33 5.394,34 3.943,35 4.281,36 5.952,37 4.137,38 5.052,39 5.32,40 3.858,41 4.22,42 5.842,43 4.062,44 4.99,45 5.268,46 3.702,47 4.114,48 5.759,49 3.945,50 4.873,51 5.156,52 3.567,53 3.993,54 5.612,55 3.814,56 0.06,57 0.936,58 14.23,59 5.483,60 8.573,61 8.005,62 0.323,63 1.506,64 26.25,65 8.855,66 29.221,67 13.451,68 0.363,69 1.836,70 34.908,71 11.542,72 34.908,73 17.492,74 0.269,75 1.856,76 36.579,77 13.627,78 39.347,79 20.03,80 0.364,81 1.865,82 38.99,83 13.459,84 47.124,85 20.13,86 0.286,87 1.759,88 35.814,89 12.923,90 35.329,91 19.341,92 0.328,93 1.618,94 34.064,95 11.771,96 37.731,97 17.75,98 0.325,99 1.423,100 30.268,101 10.725,102 30.883,103 16.125,104 14,105 46,106 0.228,107 0.535,108 0.721,109 0.855,110 0.865,111 0.865,112 3.471,113 0.979,114 -3.78,115 -3.75,116 -3.56,119 40.3,120 2,121 1,125 6,140 9,141 2,142 2,144 2,157 1,169 9,172 7,174 2,175 1,176 3,178 11,181 1,182 5,186 2,189 7,192 1,193 8,197 5,199 6,203 6,208 2,211 2,215 7,218 1,220 2,222 3,225 1,226 4,233 4,236 1,237 1,240 1,244 6,249 3,252 1,256 8,259 1653,260 21.248,261 21.248,262 21.248,263 21.248,264 21.248,265 19.082,266 28.061,267 12.8,268 21.678,269 16.79,270 16.79,271 16.79,272 16.79,273 16.79,274 13.493,275 37.8,276 6.044,277 17.424,278 4.537,279 2.629,280 1.469,281 0.637,282 0.573,283 0.573,284 4.172,288 1,289 1,290 979,291 3.464,295 389.013,299 150.427,302 2.231,303 18.011,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 453,316 4.551,317 3.546,318 6.695,319 4.108,320 3.139,321 4.474,322 1.656,323 10.856,324 3.046,325 4.097,326 3.28,327 5.808,328 3.725,329 2.746,330 3.684,331 0.8,332 8.009,333 2.689,334 3.856,335 2.917,336 5.652,337 3.578,338 2.64,339 3.249,340 0.8,341 7.897,342 2.471,343 3.666,344 2.788,345 5.342,346 3.37,347 2.413,348 2.884,349 0.247,350 6.938,351 2.312,352 3.524,353 2.622,354 5.149,355 3.26,356 2.298,357 2.734,359 6.414,360 2.193,361 3.345,362 2.272,363 4.96,364 3.006,365 2.042,366 2.525,368 5.73,369 1.964,370 3.22,371 2.206,372 4.695,373 2.868,374 1.887,375 2.408,377 5.146,378 1.844,379 3.027,380 1.651,381 4.557,382 2.574,383 1.597,384 2.241,386 4.489,387 1.559,388 2.776,389 1.511,390 4.036,391 2.398,392 1.418,393 1.846,395 3.466,396 1.386,397 2.67,398 1.476,399 3.508,400 2.216,401 1.226,402 1.744,404 2.666,405 1.213,406 2.257,407 1.279,408 3.414,409 1.974,410 1,411 1.169,413 2.275,414 0.967,415 2.119,416 1.146,417 3.372,418 1.967,419 1,420 1.071,422 2.036,423 0.965,424 2,425 0.912,426 3.198,427 1.839,428 0.859,429 1,431 1.666,432 0.84,433 1.766,434 0.733,435 3.076,436 1.6,437 0.623,438 0.698,440 1.498,441 0.608,442 1.184,443 0.502,444 2.628,445 0.834,446 -0.136,447 -0.161,449 -0.312,450 -0.131,451 14.833,452 0.478,453 0.639,454 0.021,455 38.75,456 1.25,457 18.5,458 0.597,459 20.25,460 0.653,461 27.391,462 0.884,463 33.767,464 0.545,465 28.212,466 0.91,467 7.638,468 0.246,469 7.481,470 0.241,471 0.09,473 0.29,479 0.857,480 1.463,481 0.89,482 1.16,483 0.624,484 1.044,485 0.904,486 1.131,487 0.954,488 0.972,489 0.504,490 0.958,491 1.251,492 0.956,493 1.077,494 0.923,495 0.959,496 0.963,497 0.853,498 1.149,499 1.018,500 1.157,501 0.862,502 1.117,503 1.17,504 0.971,505 1.035,506 0.971,507 1.236,508 0.989,509 0.798,510 1.075,511 1.027,512 1.106,513 0.742,514 1.092,515 1.007,516 1,517 1.092,518 1.048,519 0.989,520 1.074,521 0.792,522 0.969,523 1.041,524 1.042,525 0.786,526 1.064,527 6,528 0.124,529 2.889,530 1.75,531 1.511,532 0.778,533 0.584,534 0.375,535 0.221,536 0.182,537 14832,538 33499,539 2.104,540 50,542 21,545 2,546 3,547 5,550 1.73,551 2,552 3.792,553 0.161,555 1,559 87.874,560 1.417,561 3.325,562 4.486,563 5.317,564 5.381,565 5.381,566 3.256,567 4.736,568 4.925,569 3.97,570 1846.15,571 8.566,572 27926.6,574 1,577 369.16,578 1.277,579 4.899,580 0.176,581 0.005,582 0.063,583 0.037,584 0.035,585 0.019,586 0.016,587 0.013,588 0.009,589 0.008,590 0.381,591 0.33,592 1,593 1.125,594 165.186,595 -0.007,596 -0.218,597 0.062,598 -0.062,599 -0.023,600 -0.005,601 0.136,602 0.026,603 0.034,604 0.03,605 0.16,606 0.023,607 -0.159,608 0.125,609 -0.082,610 0.052,611 -0.084,612 0.006,613 0.012,614 -0.15,615 -0.053,616 -0.135,617 0.048,618 -0.108,619 -0.119,620 -0.002,621 -0.046,622 0.01,623 -0.101,624 -0.008,626 -0.098,627 -0.061,628 -0.109,629 -0.033,630 -0.094,631 -0.077,632 -0.036,633 -0.112,634 -0.075,635 -0.122,636 -0.095,637 0.052,638 -0.022,639 -0.068,640 -0.061,641 -0.032,642 -0.077,643 1.824,644 4.736,645 0.71,646 35.193,647 0.989,648 1.131,649 2.555,650 6.528,651 0.651,652 3.555,653 3.85,654 4.094,655 4.357,656 4.595,657 4.635,658 4.745,659 4.86,660 4.934,661 4.97,662 8.288,663 0.608,664 417.61,665 3.555,666 5.081,667 5.916,668 6.781,669 7.633,670 8.504,671 9.364,672 10.238,673 11.103,674 11.979,675 8.1,678 1,681 1,682 2,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 62,716 18,717 2,718 34,720 65,721 25,722 15,723 5,724 7,730 4,731 5,735 1,736 2,743 1,745 16,746 9,750 1,755 1,759 1,761 1,764 31,765 6,766 2,767 6,773 5,777 0.75,778 1,786 1,793 4,797 1,815 1,819 3,823 2,827 31,833 7,834 2,838 2,847 1.6,850 1,854 15.5,855 11.517,856 6.917,857 3.976,858 3.409,859 1.428,860 0.992,861 7.054,862 11.372,863 3.795,864 4.357,865 4.9,866 5.483,867 6.036,868 6.252,869 6.566,870 6.893,871 7.148,872 7.037,873 0.9,874 47,875 11.471,877 4.743,878 7.538,879 22.55,881 18.447,883 2.038,884 63.167,887 1,888 341.362,889 138.554,890 59.056,892 25.145,895 138.554,896 366.507,897 59.056,898 17.65,899 51.19,900 85.286,901 41.93,902 22.422,903 4.276,904 341.362,906 341.362,907 197.61,908 25.145,911 282.506,912 84,915 76.866,916 103.958,917 16.786,919 341.362,920 84.201,921 138.554,924 341.362,925 35.617,926 109.185,927 36.022,928 41.93,929 341.362,930 84.201,931 138.554,933 0.57,934 0.325,935 0.18,936 0.099,937 21,938 9,939 0.092,940 6,941 1,942 1.091,943 4.375,944 268.049,945 0.091,946 22,947 147.58,951 21.603,952 10.123,953 5.547,954 2.305,955 84.201,956 18.833,957 4.677,961 4.425,963 36.022,964 564.117,965 43.5,970 11.736,974 -0.158,975 61.323,976 70.099,977 0.238,978 0.558,979 0.753,980 0.893,981 0.904,982 0.904,983 5.019,984 1.597,985 5.878,986 5.146,987 4.533,988 5.043,989 2.044,990 6.645,991 4.463,992 6.195,993 1.418,994 7.403,995 4.489,996 4.007,997 4.783,998 1.404,999 7.445,1000 3.895,1001 7.482,1002 1.226,1003 9.026,1004 3.466,1005 6.08,1006 7.204,1007 2.494,1008 10.536,1009 5.936,1010 8.801,1011 1,1012 10.707,1013 2.666,1014 6.365,1015 7.789,1016 2.382,1017 12.204,1018 6.18,1019 10.153,1020 1,1021 12.428,1022 2.275,1023 7.889,1024 9.695,1025 3.264,1026 14.814,1027 7.677,1028 11.529,1029 0.859,1030 14.179,1031 2.036,1032 8.577,1033 10.717,1034 3.421,1035 16.877,1036 8.33,1037 12.925,1038 0.623,1039 15.952,1040 1.666,1041 9.86,1042 12.395,1043 4.161,1044 19.328,1045 9.587,1046 3.139,1047 -0.136,1048 17.744,1049 1.498,1050 10.759,1051 13.649,1052 4.467,1053 21.57,1054 10.455,1055 2.746,1056 10.856,1057 19.552,1058 -0.312,1059 11.937,1060 15.222,1061 5.113,1062 23.971,1063 11.608,1064 2.64,1065 8.009,1066 21.374,1067 4.474,1068 12.946,1069 16.597,1070 5.504,1071 26.292,1072 12.587,1073 2.413,1074 7.897,1075 23.206,1076 3.684,1077 14.083,1078 18.123,1079 6.091,1080 28.678,1081 13.699,1082 2.298,1083 6.938,1084 25.049,1085 3.249,1086 15.149,1087 19.558,1088 6.531,1089 31.034,1090 14.736,1091 2.042,1092 6.414,1093 26.901,1094 2.884,1095 16.273,1096 21.064,1097 7.083,1098 33.417,1099 15.834,1100 1.887,1101 5.73,1102 28.76,1103 2.734,1104 17.369,1105 22.529,1106 7.551,1107 35.788,1108 16.901,1109 14115,1110 21310,1111 23.057,1112 40.381,1113 49.926,1114 50.834,1115 51.158,1116 49.792,1117 49.777,1118 63.452,1119 7.006,1120 138.174,1121 48.111,1122 5.551,1123 5.546,1124 6.467,1125 5.176,1126 5.139,1127 7.474,1128 2.912,1129 18.031,1130 5.046,1131 13.611,1132 1.468,1133 1.495,1134 1.505,1135 1.464,1136 1.464,1137 1.866,1138 0.206,1139 4.064,1140 1.415,1141 4.094,1142 4.129,1143 4.053,1144 4.015,1145 7.431,1146 4.02,1147 3.951,1148 3.988,1149 3.885,1150 3.874,1151 4.983,1152 3.872,1153 3.781,1154 3.851,1155 3.675,1156 3.595,1157 4.748,1158 3.605,1159 3.62,1160 3.694,1161 3.511,1162 3.415,1163 4.44,1164 3.41,1165 3.517,1166 3.572,1167 3.412,1168 3.379,1169 4.285,1170 3.391,1171 3.359,1172 3.434,1173 3.199,1174 3.201,1175 4.227,1176 3.19,1177 3.224,1178 3.292,1179 3.069,1180 2.979,1181 3.983,1182 2.998,1183 3.111,1184 3.206,1185 2.935,1186 2.946,1187 3.901,1188 2.934,1189 0.134,1190 0.104,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.546,1197 0.049,1198 6.695,1199 0.319,1200 4.108,1201 0.09,1202 3.139,1203 4.474,1204 1.656,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.93,1214 1.9,1215 2.055,1216 2.039,1217 1.238,1218 2.046,1219 1.741,1220 1.672,1221 1.936,1222 1.946,1223 1.146,1224 1.947,1225 1.56,1226 1.485,1227 1.844,1228 1.819,1229 0.991,1230 1.827,1231 1.522,1232 1.469,1233 1.734,1234 1.668,1235 0.871,1236 1.692,1237 1.361,1238 1.291,1239 1.63,1240 1.564,1241 0.825,1242 1.589,1243 1.153,1244 1.084,1245 1.513,1246 1.439,1247 0.802,1248 1.429,1249 1.145,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.428,1255 4.234,1257 5.533,1259 7.031,1261 8.621,1263 10.261,1265 3.949,1271 6.75,1272 5.649,1276 5.001,1280 37.67,1281 87.874,1282 206.153,1283 278.102,1284 329.65,1285 333.65,1286 333.65,1287 44.507,1288 7.963,1289 60.5,1290 60.5,1291 24,1292 12.52,1293 4.248,1294 3.392,1295 49.859,1296 157,1297 162,1298 0.154,1299 232.627,1300 398.95,1301 559.369,1302 36837,1304 21.631,1305 0.698,1306 0.593,1307 21.631,1308 18.396,1309 15.119,1310 0.445,1311 0.326,1312 10.97,1313 14.633,1314 10.665,1315 8.864,1316 15.119,1317 11.096,1318 13.323,1319 0.29,1320 0.175,1321 13.323,1322 8.06,1323 10.854,1324 0.184,1325 0.098,1326 10.854,1327 5.8,1328 9.268,1329 0.12,1330 0.054,1331 9.268,1332 4.156,1333 7.49,1334 0.076,1335 0.03,1336 7.49,1337 2.971,1338 0.251,1339 93.746,1340 0.208,1341 29.831,1342 0.397,1343 160,1344 393.337,1345 172.705,1346 387.889,1347 540.46,1348 366,1349 185,1350 404.327,1351 197.374,1352 411.58,1353 599.17,1354 389,1355 9.801} {0 CHEMBL1632221,1 1.403,2 15.313,3 4.312,4 18.592,5 130.345,6 6.641,7 0.486,8 4.243,9 4.385,10 3.717,11 3.767,12 5.227,13 3.723,14 4.807,15 5.017,16 4.045,17 4.157,18 5.748,19 4.082,20 5.079,21 5.326,22 4.089,23 4.323,24 5.935,25 4.215,26 5.135,27 5.39,28 4.034,29 4.338,30 5.968,31 4.199,32 5.158,33 5.428,34 3.991,35 4.312,36 5.993,37 4.169,38 5.096,39 5.361,40 3.892,41 4.25,42 5.923,43 4.098,44 5.028,45 5.307,46 3.753,47 4.159,48 5.788,49 3.992,50 4.917,51 5.192,52 3.635,53 4.064,54 5.667,55 3.887,56 0.066,57 0.974,58 15.11,59 5.817,60 8.776,61 8.534,62 0.332,63 1.569,64 27.759,65 9.43,66 29.323,67 14.365,68 0.369,69 1.917,70 36.97,71 12.282,72 35.687,73 18.72,74 0.307,75 1.938,76 38.828,77 14.09,78 38.825,79 20.944,80 0.352,81 1.923,82 40.214,83 13.915,84 46.725,85 20.893,86 0.356,87 1.822,88 37.745,89 13.097,90 43.839,91 19.643,92 0.334,93 1.677,94 35.275,95 12.269,96 36.869,97 18.525,98 0.323,99 1.503,100 31.412,101 11.341,102 31.068,103 16.985,104 15,105 47,106 0.223,107 0.531,108 0.731,109 0.858,110 0.868,111 0.868,112 3.502,113 0.994,114 -3.99,115 -3.94,116 -3.74,119 40,120 2,121 2,125 6,140 9,141 2,142 2,144 2,157 1,169 10,172 7,174 2,175 1,176 3,178 11,181 1,182 5,186 3,189 7,192 1,193 8,197 5,199 6,203 7,208 3,211 2,215 7,218 1,220 2,222 3,225 1,226 4,233 6,236 1,237 1,240 1,244 8,249 3,252 1,256 10,259 1844,260 21.955,261 21.955,262 21.955,263 21.955,264 21.955,265 19.79,266 28.061,267 13.325,268 22.349,269 17.29,270 17.29,271 17.29,272 17.29,273 17.29,274 13.993,275 37.8,276 6.337,277 17.911,278 4.62,279 2.687,280 1.432,281 0.639,282 0.577,283 0.577,284 4.202,289 1,290 1057,291 3.606,295 406.989,299 157.592,302 2.375,303 18.745,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 67.5,315 490,316 4.551,317 3.546,318 6.695,319 4.108,320 3.139,321 4.474,322 1.656,323 10.856,324 3.046,325 4.097,326 3.28,327 5.808,328 3.725,329 2.746,330 3.684,331 0.8,332 8.009,333 2.689,334 3.856,335 2.917,336 5.652,337 3.578,338 2.64,339 3.249,340 0.8,341 7.898,342 2.471,343 3.668,344 2.788,345 5.342,346 3.373,347 2.414,348 2.886,349 0.247,350 6.939,351 2.316,352 3.525,353 2.622,354 5.15,355 3.263,356 2.302,357 2.734,359 6.421,360 2.194,361 3.345,362 2.273,363 4.96,364 3.007,365 2.043,366 2.526,368 5.73,369 1.966,370 3.222,371 2.206,372 4.702,373 2.878,374 1.9,375 2.409,377 5.173,378 1.852,379 3.027,380 1.69,381 4.557,382 2.574,383 1.597,384 2.241,386 4.489,387 1.559,388 2.776,389 1.651,390 4.036,391 2.402,392 1.42,393 1.846,395 3.466,396 1.39,397 2.672,398 1.476,399 3.515,400 2.36,401 1.372,402 1.746,404 2.703,405 1.35,406 2.438,407 1.279,408 3.414,409 2.194,410 1.196,411 1.417,413 2.443,414 1.192,415 2.257,416 1.146,417 3.372,418 1.967,419 1,420 1.168,422 2.275,423 0.965,424 2,425 0.912,426 3.355,427 1.839,428 0.859,429 1,431 2.036,432 0.84,433 1.766,434 0.736,435 3.184,436 1.601,437 0.623,438 0.698,440 1.505,441 0.608,442 1.313,443 0.693,444 2.683,445 1.198,446 0.244,447 0.254,449 0.401,450 0.232,451 15.333,452 0.479,453 0.639,454 0.02,455 39.25,456 1.227,457 18.5,458 0.578,459 20.75,460 0.648,461 29.167,462 0.911,463 35.067,464 0.539,465 28.699,466 0.897,467 7.616,468 0.238,469 8.002,470 0.25,471 0.087,473 0.28,479 0.858,480 1.465,481 0.907,482 1.172,483 0.624,484 1.06,485 0.901,486 1.145,487 0.97,488 0.995,489 0.508,490 0.981,491 1.22,492 0.987,493 1.061,494 0.941,495 0.939,496 0.97,497 0.916,498 1.105,499 1.012,500 1.102,501 0.901,502 1.074,503 1.142,504 1.006,505 1.003,506 0.987,507 1.189,508 0.983,509 1.133,510 1.051,511 1.099,512 1.072,513 1.226,514 1.083,515 1.004,516 0.982,517 1.066,518 1.021,519 0.978,520 1.045,521 0.799,522 1.013,523 1.077,524 1.09,525 0.81,526 1.11,527 6,528 0.124,529 2.889,530 1.75,531 1.591,532 0.778,533 0.584,534 0.375,535 0.234,536 0.198,537 16333,538 35662,539 2.101,540 50.8,541 3,542 21,545 2,546 3,547 4,550 1.738,551 2,552 3.853,553 0.146,559 91.168,560 1.403,561 3.335,562 4.591,563 5.384,564 5.445,565 5.445,566 3.355,567 4.688,568 4.97,569 4.035,570 2001.37,571 8.657,572 31250.4,577 391.454,578 1.259,579 4.947,580 0.171,581 0.005,582 0.061,583 0.036,584 0.036,585 0.019,586 0.016,587 0.012,588 0.008,589 0.008,590 0.372,591 0.33,592 1,593 1.258,594 172.742,595 -0.002,596 -0.211,597 0.062,598 -0.06,599 -0.016,600 -0.004,601 0.14,602 0.014,603 0.026,604 0.016,605 0.159,606 0.011,607 -0.131,608 0.088,609 -0.062,610 0.037,611 -0.065,612 0.004,613 -0.003,614 -0.103,615 -0.038,616 -0.093,617 0.018,618 -0.073,619 -0.081,620 -0.031,621 -0.013,622 -0.004,623 -0.043,624 -0.001,625 -0.086,626 -0.062,627 -0.111,628 -0.088,629 -0.125,630 -0.102,631 -0.07,632 -0.012,633 -0.085,634 -0.045,635 -0.108,636 -0.064,637 0.039,638 -0.044,639 -0.108,640 -0.098,641 -0.054,642 -0.117,643 1.807,644 4.895,645 0.688,646 38.352,647 0.988,648 1.131,649 2.759,650 7.614,651 0.648,652 3.584,653 3.871,654 4.111,655 4.369,656 4.615,657 4.644,658 4.762,659 4.875,660 4.956,661 4.99,662 8.616,663 0.603,664 431.64,665 3.584,666 5.106,667 5.938,668 6.799,669 7.649,670 8.518,671 9.377,672 10.249,673 11.113,674 11.988,675 7.7,678 1,681 1,682 2,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 65,716 18,717 2,718 35,720 68,721 26,722 15,723 5,724 7,730 4,731 5,735 1,736 2,743 2,745 16,746 10,750 1,755 1,759 1,764 33,765 6,766 2,767 6,773 5,777 0.75,778 1,786 1,793 4,797 1,815 1,819 3,823 2,827 32,833 8,834 2,838 2,847 1.5,850 1,854 16,855 12.017,856 7.167,857 4.226,858 3.415,859 1.425,860 0.987,861 7.616,862 11.442,863 3.818,864 4.369,865 4.907,866 5.487,867 6.043,868 6.254,869 6.57,870 6.898,871 7.155,872 7.048,873 1,874 48,875 11.854,877 4.891,878 7.521,879 23.367,881 19.114,883 2.021,884 64.667,888 364.904,889 141.089,890 59.056,892 25.145,895 141.089,896 390.049,897 59.056,898 17.65,899 53.725,900 85.286,901 41.93,902 22.422,903 4.276,904 364.904,906 364.904,907 200.144,908 25.145,911 317.82,912 72.229,915 79.4,916 103.958,917 16.786,919 364.904,920 84.201,921 141.089,924 364.904,925 38.152,926 109.185,927 36.022,928 41.93,929 364.904,930 84.201,931 141.089,933 0.567,934 0.322,935 0.177,936 0.101,937 21,938 9,939 0.103,940 7,941 1,942 1.091,943 4.481,944 277.699,945 0.091,946 22,947 154,951 22.566,952 10.8,953 6.005,954 2.306,955 84.201,956 18.876,957 4.681,961 4.437,963 36.022,964 590.193,965 44.5,970 11.895,974 -0.14,975 64.207,976 73.514,977 0.233,978 0.554,979 0.762,980 0.894,981 0.904,982 0.904,983 5.039,984 1.597,985 5.894,986 5.173,987 4.554,988 5.056,989 2.044,990 6.655,991 4.485,992 6.209,993 1.42,994 7.415,995 4.489,996 4.007,997 4.783,998 1.404,999 7.445,1000 3.895,1001 7.492,1002 1.372,1003 9.034,1004 3.466,1005 6.094,1006 7.208,1007 2.494,1008 10.539,1009 5.951,1010 8.809,1011 1.196,1012 10.713,1013 2.703,1014 6.365,1015 7.789,1016 2.382,1017 12.204,1018 6.18,1019 10.159,1020 1,1021 12.432,1022 2.443,1023 7.896,1024 9.696,1025 3.264,1026 14.815,1027 7.685,1028 11.533,1029 0.859,1030 14.181,1031 2.275,1032 8.577,1033 10.717,1034 3.421,1035 16.877,1036 8.33,1037 12.928,1038 0.623,1039 15.954,1040 2.036,1041 9.864,1042 12.395,1043 4.161,1044 19.328,1045 9.591,1046 3.139,1047 0.244,1048 17.745,1049 1.505,1050 10.759,1051 13.649,1052 4.467,1053 21.57,1054 10.455,1055 2.746,1056 10.856,1057 19.553,1058 0.401,1059 11.94,1060 15.223,1061 5.113,1062 23.971,1063 11.61,1064 2.64,1065 8.009,1066 21.374,1067 4.474,1068 12.947,1069 16.597,1070 5.504,1071 26.292,1072 12.588,1073 2.414,1074 7.898,1075 23.207,1076 3.684,1077 14.085,1078 18.123,1079 6.091,1080 28.678,1081 13.7,1082 2.302,1083 6.939,1084 25.05,1085 3.249,1086 15.149,1087 19.558,1088 6.531,1089 31.034,1090 14.736,1091 2.043,1092 6.421,1093 26.901,1094 2.886,1095 16.274,1096 21.064,1097 7.083,1098 33.417,1099 15.834,1100 1.9,1101 5.73,1102 28.76,1103 2.734,1104 17.37,1105 22.529,1106 7.551,1107 35.788,1108 16.902,1109 15573,1110 23115,1111 23.75,1112 42.143,1113 50.884,1114 52.074,1115 52.283,1116 50.989,1117 50.993,1118 64.665,1119 7.006,1120 140.685,1121 49.335,1122 5.551,1123 5.546,1124 6.56,1125 5.176,1126 5.139,1127 7.474,1128 2.912,1129 18.031,1130 5.046,1131 13.927,1132 1.454,1133 1.488,1134 1.494,1135 1.457,1136 1.457,1137 1.848,1138 0.2,1139 4.02,1140 1.41,1141 4.095,1142 4.129,1143 4.053,1144 4.015,1145 7.431,1146 4.021,1147 3.951,1148 3.988,1149 3.886,1150 3.875,1151 4.983,1152 3.872,1153 3.782,1154 3.851,1155 3.675,1156 3.595,1157 4.748,1158 3.605,1159 3.671,1160 3.743,1161 3.543,1162 3.478,1163 4.44,1164 3.475,1165 3.519,1166 3.574,1167 3.414,1168 3.415,1169 4.285,1170 3.407,1171 3.4,1172 3.467,1173 3.257,1174 3.215,1175 4.235,1176 3.213,1177 3.293,1178 3.363,1179 3.148,1180 3.055,1181 3.99,1182 3.082,1183 3.111,1184 3.206,1185 2.938,1186 2.951,1187 3.928,1188 2.937,1189 0.13,1190 0.101,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.546,1197 0.047,1198 6.695,1199 0.31,1200 4.108,1201 0.087,1202 3.139,1203 4.474,1204 1.656,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.93,1214 1.9,1215 2.055,1216 2.04,1217 1.238,1218 2.046,1219 1.741,1220 1.672,1221 1.939,1222 1.948,1223 1.16,1224 1.948,1225 1.645,1226 1.57,1227 1.921,1228 1.863,1229 1.144,1230 1.883,1231 1.523,1232 1.474,1233 1.734,1234 1.671,1235 0.873,1236 1.693,1237 1.372,1238 1.304,1239 1.633,1240 1.599,1241 0.825,1242 1.607,1243 1.227,1244 1.163,1245 1.513,1246 1.502,1247 0.802,1248 1.51,1249 1.153,1250 1.064,1251 1.476,1252 1.376,1253 0.537,1254 1.429,1255 4.263,1257 5.557,1259 7.048,1261 8.634,1263 10.271,1265 4.082,1271 7.752,1272 5.77,1276 5.007,1280 39.197,1281 91.168,1282 216.778,1283 298.395,1284 349.944,1285 353.944,1286 353.944,1287 47.974,1288 8.027,1289 60.5,1290 60.5,1291 24,1292 12.53,1293 4.248,1294 3.392,1295 52.328,1296 168,1297 182,1298 0.15,1299 242.219,1300 416.25,1301 582.774,1302 40355,1304 22.338,1305 0.698,1306 0.597,1307 22.338,1308 19.103,1309 15.619,1310 0.446,1311 0.331,1312 11.47,1313 15.141,1314 11.152,1315 9.292,1316 15.619,1317 11.596,1318 13.677,1319 0.291,1320 0.18,1321 13.677,1322 8.456,1323 11.123,1324 0.185,1325 0.1,1326 11.123,1327 5.998,1328 9.327,1329 0.12,1330 0.054,1331 9.327,1332 4.234,1333 7.804,1334 0.078,1335 0.031,1336 7.804,1337 3.071,1338 0.246,1339 96.746,1340 0.205,1341 30.716,1342 0.385,1343 164,1344 397.337,1345 176.705,1346 392.134,1347 546.26,1348 370,1349 189,1350 408.327,1351 201.541,1352 415.921,1353 605.37,1354 393,1355 9.801} {0 CHEMBL1632222,1 1.389,2 14.879,3 4.371,4 19.103,5 134.876,6 6.554,7 0.472,8 4.284,9 4.427,10 3.745,11 3.807,12 5.268,13 3.759,14 4.853,15 5.064,16 4.115,17 4.208,18 5.795,19 4.138,20 5.14,21 5.372,22 4.13,23 4.403,24 6.021,25 4.289,26 5.28,27 5.562,28 4.102,29 4.413,30 6.088,31 4.259,32 5.207,33 5.469,34 4.004,35 4.337,36 6.1,37 4.202,38 5.121,39 5.392,40 3.943,41 4.299,42 5.905,43 4.144,44 5.067,45 5.331,46 3.818,47 4.237,48 5.862,49 4.07,50 5.03,51 5.319,52 3.697,53 4.151,54 5.754,55 3.964,56 0.072,57 1.013,58 15.982,59 6.153,60 10.969,61 9.061,62 0.334,63 1.644,64 29.245,65 9.968,66 32.45,67 15.251,68 0.405,69 2.074,70 39.393,71 12.918,72 42.078,73 19.814,74 0.313,75 2.132,76 45.014,77 16.472,78 47.911,79 24.629,80 0.494,81 1.991,82 42.81,83 13.792,84 65.602,85 20.775,86 0.302,87 1.878,88 38.321,89 13.934,90 36.831,91 20.906,92 0.325,93 1.778,94 36.442,95 13.008,96 39.757,97 19.518,98 0.35,99 1.645,100 35.179,101 12.768,102 35.294,103 19.175,104 30,105 51,106 0.219,107 0.526,108 0.707,109 0.808,110 0.817,111 0.817,112 3.531,113 0.982,114 -4.19,115 -4.13,116 -3.91,119 39.7,120 4,121 1,125 5,129 1,140 9,141 2,142 2,144 2,157 1,169 9,172 7,174 2,175 1,176 5,178 14,181 1,182 5,186 2,189 7,192 1,193 10,197 7,199 6,203 6,208 2,211 2,215 7,218 1,220 2,222 7,225 1,226 4,233 8,236 1,237 1,240 1,244 10,249 3,252 1,256 8,259 1967,260 21.773,261 21.773,262 21.773,263 21.773,264 21.773,265 19.607,266 31.224,267 12.786,268 22.166,269 17.829,270 17.829,271 17.829,272 17.829,273 17.829,274 14.549,275 50.3,276 6.138,277 18.459,278 4.699,279 2.757,280 1.615,281 0.971,282 0.912,283 0.912,284 4.226,289 1,290 1053,291 4.123,295 424.255,299 164.515,302 2.321,303 19.366,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 69.5,315 491,316 4.551,317 3.622,318 6.695,319 4.108,320 3.139,321 4.474,322 1.656,323 10.856,324 3.046,325 4.179,326 3.28,327 6.446,328 4.102,329 3.133,330 3.685,331 0.8,332 10.157,333 3.031,334 4.063,335 3.083,336 5.808,337 3.71,338 2.73,339 3.249,340 0.8,341 8.008,342 2.679,343 3.856,344 2.915,345 5.642,346 3.575,347 2.635,348 3.2,349 0.247,350 7.872,351 2.469,352 3.58,353 2.784,354 5.337,355 3.335,356 2.39,357 2.76,359 6.926,360 2.263,361 3.499,362 2.621,363 5.111,364 3.201,365 2.223,366 2.725,368 6.313,369 2.157,370 3.334,371 2.271,372 4.959,373 2.997,374 2.034,375 2.491,377 5.728,378 1.953,379 3.179,380 2.203,381 4.621,382 2.797,383 1.798,384 2.346,386 4.932,387 1.785,388 3.026,389 1.651,390 4.556,391 2.573,392 1.596,393 2.239,395 4.488,396 1.558,397 2.775,398 1.476,399 4.036,400 2.398,401 1.417,402 1.845,404 3.466,405 1.385,406 2.667,407 1.279,408 3.506,409 2.201,410 1.206,411 1.739,413 2.653,414 1.199,415 2.257,416 1.146,417 3.414,418 1.967,419 1,420 1.168,422 2.275,423 0.965,424 2,425 0.912,426 3.372,427 1.839,428 0.859,429 1,431 2.036,432 0.84,433 1.766,434 0.734,435 3.195,436 1.601,437 0.623,438 0.698,440 1.506,441 0.608,442 1.188,443 0.632,444 3.066,445 0.885,446 -0.058,447 -0.065,449 -0.166,450 -0.054,451 15.833,452 0.48,453 0.993,454 0.03,455 39.75,456 1.205,457 18.5,458 0.561,459 21.25,460 0.644,461 32.721,462 0.992,463 36.367,464 0.535,465 29.621,466 0.898,467 7.586,468 0.23,469 8.179,470 0.248,471 0.147,472 0.032,473 0.272,479 0.858,480 1.467,481 0.923,482 1.183,483 0.681,484 1.074,485 0.853,486 1.152,487 0.889,488 0.955,489 0.449,490 0.922,491 1.397,492 1.072,493 1.251,494 1.067,495 1.061,496 1.121,497 0.686,498 1.049,499 0.827,500 1.019,501 0.657,502 0.952,503 1.801,504 0.934,505 1.167,506 0.919,507 2.122,508 0.98,509 0.798,510 1.04,511 0.984,512 1.053,513 0.728,514 1.038,515 1.022,516 1.077,517 1.153,518 1.131,519 1.032,520 1.152,521 0.74,522 0.951,523 1.004,524 1.02,525 0.745,526 1.037,527 8.5,528 0.19,529 3.111,530 2.25,531 1.591,532 1,533 0.706,534 0.507,535 0.311,536 0.202,537 17574,538 37437,539 2.054,540 51.5,542 19,545 2,546 3,547 11,550 1.746,551 1.913,552 3.811,553 0.132,559 94.431,560 1.389,561 3.331,562 4.473,563 5.116,564 5.175,565 5.175,566 3.268,567 4.779,568 5.017,569 4.041,570 2133.89,571 8.747,572 34149,577 413.947,578 1.554,579 4.964,580 0.236,581 0.007,582 0.061,583 0.046,584 0.034,585 0.024,586 0.018,587 0.015,588 0.01,589 0.008,590 0.458,591 0.33,592 1,593 1.177,594 179.767,595 0.003,596 -0.204,597 0.061,598 -0.058,599 -0.057,600 -0.004,601 0.189,602 0.008,603 0.116,604 0.066,605 0.223,606 0.08,607 -0.228,608 0.055,609 -0.239,610 -0.083,611 -0.172,612 -0.146,613 0.13,614 -0.109,615 0.14,616 -0.021,617 0.189,618 0.048,619 -0.272,620 0.059,621 -0.137,622 0.037,623 -0.259,624 -0.028,625 0.011,626 -0.051,627 -0.015,628 -0.051,629 -0.009,630 -0.038,631 -0.095,632 -0.073,633 -0.174,634 -0.135,635 -0.154,636 -0.16,637 0.062,638 -0.004,639 -0.038,640 -0.034,641 -0.02,642 -0.045,643 1.838,644 5.152,645 0.667,646 39.51,647 0.987,648 1.131,649 2.961,650 8.765,651 0.646,652 3.611,653 3.951,654 4.127,655 4.407,656 4.615,657 4.673,658 4.779,659 4.905,660 4.977,661 5.024,662 8.745,663 0.599,664 445.67,665 3.611,666 5.165,667 5.989,668 6.872,669 7.711,670 8.596,671 9.443,672 10.328,673 11.18,674 12.065,675 7.4,678 1,681 1,682 2,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 68,716 18,717 2,718 36,720 71,721 27,722 15,723 5,724 7,730 4,731 5,735 1,736 4,743 1,745 16,746 11,747 1,750 1,755 1,759 1,764 35,765 6,766 2,767 6,773 5,777 0.75,778 1,786 1,793 4,797 1,815 1,819 3,823 4,827 33,833 6,834 2,838 2,839 1,847 1.5,850 1,854 17.25,855 13.267,856 7.042,857 4.164,858 3.42,859 1.423,860 0.967,861 7.208,862 11.507,863 3.839,864 4.419,865 4.914,866 5.508,867 6.041,868 6.264,869 6.579,870 6.911,871 7.167,872 7.076,873 0.9,874 49,875 12.227,877 5.081,878 7.528,879 24.042,881 19.816,883 2.028,884 66.917,888 388.446,889 154.099,890 59.056,892 25.145,895 154.099,896 413.591,897 59.056,898 35.301,899 49.085,900 85.286,901 41.93,902 22.422,903 4.276,904 388.446,906 388.446,907 213.154,908 25.145,911 258.964,912 154.627,915 92.411,916 103.958,917 16.786,919 388.446,920 84.201,921 154.099,924 388.446,925 33.512,926 126.836,927 36.022,928 41.93,929 388.446,930 84.201,931 154.099,933 0.588,934 0.31,935 0.172,936 0.092,937 24,938 11,939 0.085,940 6,941 1,942 1.091,943 4.478,944 292.156,945 0.091,946 22,947 155.71,951 23.532,952 10.108,953 6.461,954 2.302,955 84.201,956 18.861,957 4.684,961 4.408,963 36.022,964 626.746,965 45.5,970 12.152,974 -0.172,975 67.09,976 76.929,977 0.228,978 0.547,979 0.735,980 0.84,981 0.85,982 0.85,983 5.095,984 1.798,985 6.004,986 5.728,987 4.635,988 5.106,989 2.044,990 6.806,991 4.568,992 6.303,993 1.596,994 7.557,995 4.932,996 4.369,997 4.966,998 1.404,999 7.832,1000 4.268,1001 7.612,1002 1.417,1003 9.211,1004 4.488,1005 6.267,1006 7.269,1007 2.494,1008 10.803,1009 6.128,1010 8.949,1011 1.206,1012 10.924,1013 3.466,1014 6.746,1015 7.895,1016 2.382,1017 12.607,1018 6.574,1019 10.315,1020 1,1021 12.674,1022 2.653,1023 8.176,1024 9.749,1025 3.264,1026 15.16,1027 7.97,1028 11.7,1029 0.859,1030 14.451,1031 2.275,1032 8.995,1033 10.777,1034 3.421,1035 17.285,1036 8.758,1037 13.101,1038 0.623,1039 16.247,1040 2.036,1041 10.239,1042 12.433,1043 4.161,1044 19.706,1045 9.971,1046 3.139,1047 -0.058,1048 18.059,1049 1.506,1050 11.222,1051 13.684,1052 4.467,1053 21.966,1054 10.922,1055 3.133,1056 10.856,1057 19.883,1058 -0.166,1059 12.391,1060 15.246,1061 5.113,1062 24.345,1063 12.062,1064 2.73,1065 10.157,1066 21.717,1067 4.474,1068 13.451,1069 16.616,1070 5.504,1071 26.663,1072 13.092,1073 2.635,1074 8.008,1075 23.559,1076 3.685,1077 14.593,1078 18.136,1079 6.091,1080 29.031,1081 14.205,1082 2.39,1083 7.872,1084 25.409,1085 3.249,1086 15.691,1087 19.568,1088 6.531,1089 31.375,1090 15.272,1091 2.223,1092 6.926,1093 27.265,1094 3.2,1095 16.825,1096 21.071,1097 7.083,1098 33.74,1099 16.376,1100 2.034,1101 6.313,1102 29.126,1103 2.76,1104 17.941,1105 22.535,1106 7.551,1107 36.097,1108 17.462,1109 16795,1110 24624,1111 23.75,1112 43.904,1113 54.077,1114 54.75,1115 54.528,1116 53.586,1117 53.569,1118 67.239,1119 7.006,1120 154.431,1121 51.875,1122 5.551,1123 5.622,1124 6.251,1125 5.176,1126 5.139,1127 7.474,1128 2.912,1129 18.031,1130 5.046,1131 18.132,1132 1.502,1133 1.521,1134 1.515,1135 1.489,1136 1.488,1137 1.868,1138 0.195,1139 4.29,1140 1.441,1141 4.095,1142 4.13,1143 4.053,1144 4.016,1145 7.431,1146 4.021,1147 3.954,1148 3.991,1149 3.889,1150 3.876,1151 4.983,1152 3.873,1153 3.786,1154 3.856,1155 3.678,1156 3.597,1157 4.749,1158 3.606,1159 3.748,1160 3.811,1161 3.632,1162 3.592,1163 4.44,1164 3.59,1165 3.519,1166 3.574,1167 3.415,1168 3.415,1169 4.389,1170 3.407,1171 3.391,1172 3.456,1173 3.273,1174 3.213,1175 4.285,1176 3.211,1177 3.27,1178 3.33,1179 3.142,1180 3.015,1181 3.99,1182 3.051,1183 3.111,1184 3.206,1185 2.937,1186 2.949,1187 3.921,1188 2.935,1189 0.126,1190 0.101,1191 0.186,1192 0.114,1193 0.087,1194 4.551,1195 0.124,1196 3.622,1197 0.046,1198 6.695,1199 0.302,1200 4.108,1201 0.085,1202 3.139,1203 4.474,1204 1.656,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.931,1214 1.9,1215 2.055,1216 2.042,1217 1.238,1218 2.047,1219 1.746,1220 1.678,1221 1.972,1222 1.957,1223 1.159,1224 1.959,1225 1.725,1226 1.66,1227 1.934,1228 1.909,1229 1.144,1230 1.926,1231 1.523,1232 1.474,1233 1.734,1234 1.67,1235 0.872,1236 1.693,1237 1.368,1238 1.301,1239 1.631,1240 1.583,1241 0.825,1242 1.597,1243 1.169,1244 1.116,1245 1.513,1246 1.466,1247 0.802,1248 1.446,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.429,1255 4.29,1257 5.624,1259 7.135,1261 8.728,1263 10.365,1265 7.958,1271 6.099,1272 5.879,1276 5.005,1277 -0.259,1280 40.724,1281 94.431,1282 226.485,1283 304.16,1284 347.908,1285 351.908,1286 351.908,1287 53.989,1288 8.087,1289 60.5,1290 60.5,1291 24,1292 12.604,1293 4.248,1294 3.392,1295 54.839,1296 177,1297 146,1298 0.15,1299 251.811,1300 433.55,1301 606.179,1302 43505,1304 23.424,1305 0.71,1306 0.612,1307 23.424,1308 20.189,1309 15.765,1310 0.438,1311 0.327,1312 11.663,1313 15.289,1314 11.189,1315 9.368,1316 15.765,1317 11.786,1318 15.299,1319 0.3,1320 0.194,1321 15.299,1322 9.905,1323 11.034,1324 0.181,1325 0.098,1326 11.034,1327 5.951,1328 9.786,1329 0.121,1330 0.053,1331 9.786,1332 4.324,1333 7.574,1334 0.076,1335 0.03,1336 7.574,1337 3.005,1338 0.245,1339 97.552,1340 0.205,1341 31.442,1342 0.384,1343 174,1344 407.337,1345 187.371,1346 404.829,1347 562.62,1348 380,1349 199,1350 422.89,1351 211.707,1352 434.58,1353 628.05,1354 407,1355 9.6} {0 CHEMBL1632223,1 1.407,2 16.229,3 5.016,4 25.16,5 140.85,6 7.055,7 0.59,8 4.273,9 4.405,10 3.806,11 3.839,12 5.309,13 3.803,14 4.811,15 4.997,16 4.145,17 4.229,18 5.813,19 4.168,20 5.091,21 5.318,22 4.176,23 4.387,24 5.996,25 4.29,26 5.151,27 5.396,28 4.113,29 4.385,30 6.02,31 4.253,32 5.18,33 5.442,34 4.071,35 4.349,36 6.061,37 4.22,38 5.109,39 5.368,40 3.991,41 4.293,42 5.976,43 4.156,44 5.034,45 5.298,46 3.864,47 4.218,48 5.858,49 4.072,50 4.94,51 5.203,52 3.778,53 4.148,54 5.737,55 3.992,56 0.058,57 0.98,58 14.204,59 5.847,60 9.596,61 8.151,62 0.3,63 1.611,64 26.108,65 9.598,66 29.239,67 13.825,68 0.354,69 2.021,70 36.125,71 12.652,72 37.967,73 18.324,74 0.252,75 2.041,76 38.657,77 14.901,78 39.842,79 21.464,80 0.365,81 2.044,82 41.079,83 14.581,84 53.139,85 21.081,86 0.339,87 1.925,88 37.973,89 13.77,90 46.865,91 19.9,92 0.349,93 1.783,94 35.386,95 12.747,96 43.562,97 18.467,98 0.321,99 1.62,100 31.94,101 12.086,102 34.236,103 17.517,104 5,105 53,106 0.221,107 0.508,108 0.657,109 0.809,110 0.851,111 0.862,112 3.588,113 0.938,114 -4.63,115 -4.55,116 -4.28,119 43.9,120 1,121 1,125 5,140 14,141 2,142 3,144 2,157 1,169 13,172 7,174 2,175 1,176 4,178 15,181 1,182 5,186 4,189 9,192 1,193 9,197 7,199 6,203 8,208 4,211 2,215 8,218 1,220 3,222 5,225 1,226 4,233 10,236 1,237 1,240 1,244 14,249 3,252 1,256 14,259 2348,260 24.101,261 24.101,262 24.101,263 24.101,264 24.101,265 21.185,266 29.642,267 14.504,268 24.488,269 19.325,270 19.325,271 19.325,272 19.325,273 19.325,274 15.01,275 42.8,276 6.975,277 19.944,278 4.637,279 2.812,280 1.862,281 0.896,282 0.629,283 0.557,284 4.3,289 1,290 1256,291 3.391,295 580.687,299 175.827,302 2.565,303 19.425,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 73.5,315 568,316 4.551,317 3.563,318 6.695,319 4.108,320 3.139,321 4.474,322 1.656,323 10.856,324 3.046,325 4.106,326 3.28,327 5.808,328 3.739,329 2.763,330 3.687,331 0.8,332 8.014,333 2.697,334 3.942,335 2.918,336 5.672,337 3.592,338 2.65,339 3.471,340 0.8,341 7.95,342 2.52,343 3.855,344 2.79,345 5.461,346 3.542,347 2.571,348 3.249,349 0.247,350 7.328,351 2.463,352 3.592,353 2.624,354 5.325,355 3.321,356 2.379,357 2.839,359 6.894,360 2.246,361 3.51,362 2.534,363 5.064,364 3.176,365 2.194,366 2.733,368 6.178,369 2.141,370 3.339,371 2.27,372 4.958,373 2.997,374 2.034,375 2.517,377 5.726,378 1.954,379 3.207,380 2.202,381 4.584,382 2.819,383 1.823,384 2.404,386 4.851,387 1.805,388 3.027,389 1.651,390 4.554,391 2.573,392 1.596,393 2.241,395 4.488,396 1.558,397 2.85,398 1.519,399 4.036,400 2.403,401 1.42,402 1.985,404 3.466,405 1.393,406 2.775,407 1.476,408 3.576,409 2.381,410 1.39,411 1.844,413 2.998,414 1.373,415 2.666,416 1.279,417 3.496,418 2.197,419 1.2,420 1.736,422 2.643,423 1.195,424 2.5,425 1.146,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.257,434 1,435 3.372,436 1.967,437 1,438 1.168,440 2.136,441 0.965,442 2,443 0.912,444 3.247,445 1.839,446 0.859,447 1,449 2.036,450 0.84,451 16.833,452 0.481,453 0.708,454 0.02,455 47.75,456 1.364,457 25,458 0.714,459 22.75,460 0.65,461 28.911,462 0.826,463 36.567,464 0.554,465 35.702,466 1.02,467 9.512,468 0.272,469 7.624,470 0.218,471 0.05,473 0.285,479 0.847,480 1.333,481 0.838,482 1.057,483 0.617,484 0.96,485 0.872,486 1.15,487 0.953,488 0.997,489 0.513,490 0.977,491 1.27,492 1.016,493 1.111,494 0.977,495 0.964,496 1.011,497 0.78,498 1.158,499 0.988,500 1.15,501 0.68,502 1.1,503 1.25,504 0.981,505 1.002,506 0.957,507 1.291,508 0.956,509 1.11,510 1.018,511 1.042,512 1.027,513 1.155,514 1.029,515 1.151,516 0.934,517 1.091,518 0.978,519 1.163,520 1.021,521 0.799,522 0.939,523 1.04,524 1.018,525 0.803,526 1.048,527 6.5,528 0.145,529 2.889,530 1.938,531 1.662,532 0.896,533 0.643,534 0.37,535 0.258,536 0.184,537 22551,538 51201,539 2.158,540 47,542 24,545 2,546 3,547 2,550 1.76,551 2.079,552 3.942,553 0.105,559 92.859,560 1.407,561 3.233,562 4.182,563 5.149,564 5.415,565 5.488,566 3.383,567 4.672,568 5.102,569 4.144,570 2465.88,571 8.915,572 41667.3,577 398.93,578 1.15,579 5.086,580 0.167,581 0.005,582 0.055,583 0.037,584 0.035,585 0.019,586 0.015,587 0.01,588 0.008,589 0.006,590 0.355,591 0.17,592 0.75,593 0.383,594 194.898,595 -0.01,596 -0.163,597 0.062,598 -0.034,599 -0.023,600 0.011,601 0.145,602 -0.019,603 -0.003,604 -0.022,605 0.148,606 -0.027,607 -0.162,608 0.055,609 -0.13,610 -0.019,611 -0.089,612 -0.06,613 0.061,614 -0.182,615 -0.018,616 -0.152,617 0.12,618 -0.102,619 -0.086,620 -0.016,621 0.006,622 0.014,623 -0.027,624 0.02,625 -0.049,626 -0.045,627 -0.046,628 -0.051,629 -0.055,630 -0.049,631 -0.114,632 0.041,633 -0.094,634 -0.005,635 -0.143,636 -0.042,637 0.042,638 0.022,639 -0.06,640 -0.026,641 -0.04,642 -0.051,643 1.9,644 5.305,645 0.8,646 45.464,647 0.99,648 1.123,649 3.405,650 11.592,651 0.672,652 3.689,653 3.989,654 4.234,655 4.5,656 4.736,657 4.745,658 4.86,659 4.984,660 5.063,661 5.124,662 9.31,663 0.631,664 465.65,665 3.689,666 5.22,667 6.057,668 6.921,669 7.77,670 8.639,671 9.494,672 10.365,673 11.225,674 12.098,675 7.6,678 1,681 1,682 2,685 1,687 2,688 14,689 1,693 5,695 23,709 1,714 66,716 24,717 3,718 39,720 70,721 29,722 21,723 6,724 12,730 5,731 6,735 1,736 1,743 1,745 22,746 7,750 1,755 1,759 1,764 31,765 6,766 2,767 6,773 5,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,827 35,833 6,834 2,838 2,847 1.5,850 1,854 16.833,855 11.933,856 7.667,857 4.025,858 4.275,859 1.507,860 1.017,861 7.268,862 12.702,863 3.961,864 4.538,865 5.081,866 5.664,867 6.207,868 6.355,869 6.666,870 7.003,871 7.253,872 7.237,873 0.909,874 53,875 12.939,877 5.431,878 7.538,879 25.337,881 20.939,883 2.038,884 71.333,888 341.362,889 177.761,890 59.056,892 25.145,895 177.761,896 366.507,897 59.056,898 8.825,899 49.085,900 132.667,901 41.93,902 25.178,903 4.276,904 341.362,906 341.362,907 236.817,908 25.145,911 317.82,912 48.687,915 65.935,916 154.096,917 16.786,919 341.362,920 84.201,921 177.761,924 341.362,925 36.269,926 147.741,927 36.022,928 41.93,929 341.362,930 84.201,931 177.761,933 0.574,934 0.326,935 0.182,936 0.102,937 25,938 10,939 0.086,940 6,941 1,942 1.071,943 4.821,944 319.322,945 0.071,946 28,947 169.525,951 23.344,952 10.896,953 5.997,954 2.294,955 84.201,956 28.275,957 4.688,961 5.133,963 36.022,964 603.324,965 51.5,970 12.305,974 -0.233,975 65.323,976 74.099,977 0.233,978 0.535,979 0.692,980 0.852,981 0.896,982 0.908,983 5.18,984 1.823,985 6.014,986 5.726,987 4.673,988 5.226,989 2.044,990 6.772,991 4.61,992 6.361,993 1.596,994 7.531,995 4.851,996 4.111,997 4.89,998 1.404,999 7.535,1000 4,1001 7.643,1002 1.42,1003 9.144,1004 4.488,1005 6.213,1006 7.381,1007 2.494,1008 10.631,1009 6.079,1010 8.957,1011 1.39,1012 10.817,1013 3.466,1014 6.463,1015 7.884,1016 2.382,1017 12.269,1018 6.28,1019 10.303,1020 1.2,1021 12.529,1022 2.998,1023 8.008,1024 9.843,1025 3.264,1026 14.876,1027 7.806,1028 11.671,1029 1,1030 14.27,1031 2.643,1032 8.668,1033 10.795,1034 3.421,1035 16.918,1036 8.421,1037 13.06,1038 1,1039 16.035,1040 2.275,1041 9.962,1042 12.504,1043 4.161,1044 19.363,1045 9.696,1046 3.139,1047 0.859,1048 17.819,1049 2.136,1050 10.84,1051 13.709,1052 4.467,1053 21.594,1054 10.535,1055 2.763,1056 10.856,1057 19.619,1058 2.036,1059 12.022,1060 15.296,1061 5.113,1062 23.989,1063 11.696,1064 2.65,1065 8.014,1066 21.433,1067 4.474,1068 13.015,1069 16.639,1070 5.504,1071 26.305,1072 12.655,1073 2.571,1074 7.95,1075 23.259,1076 3.687,1077 14.151,1078 18.17,1079 6.091,1080 28.688,1081 13.767,1082 2.379,1083 7.328,1084 25.095,1085 3.471,1086 15.205,1087 19.586,1088 6.531,1089 31.041,1090 14.791,1091 2.194,1092 6.894,1093 26.94,1094 3.249,1095 16.326,1096 21.093,1097 7.083,1098 33.422,1099 15.886,1100 2.034,1101 6.178,1102 28.794,1103 2.839,1104 17.414,1105 22.548,1106 7.551,1107 35.792,1108 16.944,1109 20756,1110 31426,1111 26.929,1112 44.381,1113 57.633,1114 58.306,1115 58.209,1116 57.331,1117 57.281,1118 75.091,1119 7.006,1120 158.686,1121 55.608,1122 5.551,1123 5.563,1124 6.497,1125 5.176,1126 5.139,1127 7.474,1128 2.912,1129 18.031,1130 5.046,1131 11.76,1132 1.478,1133 1.495,1134 1.493,1135 1.47,1136 1.469,1137 1.925,1138 0.18,1139 4.069,1140 1.426,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 7.431,1146 4.022,1147 3.962,1148 3.998,1149 3.899,1150 3.881,1151 4.984,1152 3.88,1153 3.884,1154 3.92,1155 3.812,1156 3.814,1157 4.783,1158 3.809,1159 3.779,1160 3.846,1161 3.673,1162 3.595,1163 4.732,1164 3.605,1165 3.521,1166 3.576,1167 3.422,1168 3.415,1169 4.44,1170 3.408,1171 3.444,1172 3.496,1173 3.371,1174 3.227,1175 4.285,1176 3.241,1177 3.308,1178 3.375,1179 3.167,1180 3.092,1181 4.037,1182 3.119,1183 3.111,1184 3.206,1185 2.94,1186 2.951,1187 3.964,1188 2.937,1189 0.117,1190 0.091,1191 0.172,1192 0.105,1193 0.08,1194 4.551,1195 0.115,1196 3.563,1197 0.042,1198 6.695,1199 0.278,1200 4.108,1201 0.078,1202 3.139,1203 4.474,1204 1.656,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.933,1214 1.902,1215 2.056,1216 2.044,1217 1.238,1218 2.049,1219 1.883,1220 1.851,1221 2.009,1222 1.987,1223 1.146,1224 1.995,1225 1.74,1226 1.671,1227 1.935,1228 1.935,1229 1.061,1230 1.941,1231 1.523,1232 1.474,1233 1.734,1234 1.674,1235 0.873,1236 1.694,1237 1.377,1238 1.313,1239 1.632,1240 1.613,1241 0.825,1242 1.609,1243 1.239,1244 1.185,1245 1.513,1246 1.502,1247 0.802,1248 1.496,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.48,1254 1.429,1255 4.369,1257 5.673,1259 7.172,1261 8.76,1263 10.392,1265 2.038,1271 6.041,1272 5.793,1276 4.998,1280 41.67,1281 92.859,1282 213.356,1283 276.043,1284 339.811,1285 357.42,1286 362.175,1287 48.137,1288 8.428,1289 60.5,1290 60.5,1291 30,1292 12.642,1293 4.644,1294 3.755,1295 52.684,1296 200,1297 185,1298 0.126,1299 254.82,1300 436.97,1301 613.522,1302 70596,1304 24.037,1305 0.687,1306 0.574,1307 24.037,1308 20.075,1309 17.136,1310 0.439,1311 0.313,1312 12.074,1313 16.665,1314 11.775,1315 9.76,1316 17.136,1317 12.196,1318 15.274,1319 0.288,1320 0.17,1321 15.274,1322 9.021,1323 12.533,1324 0.184,1325 0.096,1326 12.533,1327 6.494,1328 10.745,1329 0.121,1330 0.052,1331 10.745,1332 4.635,1333 8.864,1334 0.078,1335 0.029,1336 8.864,1337 3.319,1338 0.207,1339 105.806,1340 0.193,1341 33.193,1342 0.319,1343 184,1344 449.337,1345 197.038,1346 447.349,1347 625.91,1348 422,1349 213,1350 470.89,1351 225.874,1352 481.489,1353 699.31,1354 455,1355 9.5} {0 CHEMBL163376,1 1.591,2 15.794,3 4.604,4 21.197,5 129.525,6 7.682,7 0.553,8 4.225,9 4.357,10 3.819,11 3.728,12 5.302,13 3.724,14 4.812,15 5.002,16 4.234,17 4.15,18 6.219,19 4.125,20 5.03,21 5.254,22 4.155,23 4.311,24 6.003,25 4.22,26 5.175,27 5.436,28 4.082,29 4.313,30 6.145,31 4.191,32 5.132,33 5.423,34 3.943,35 4.21,36 5.979,37 4.074,38 4.958,39 5.224,40 3.905,41 4.127,42 5.764,43 4.004,44 4.98,45 5.256,46 3.892,47 4.069,48 5.912,49 3.951,50 4.866,51 5.131,52 3.814,53 3.986,54 5.755,55 3.877,56 0.098,57 1.168,58 11.991,59 5.448,60 19.321,61 7.034,62 0.924,63 2.193,64 25.845,65 8.994,66 137.271,67 11.992,68 0.392,69 2.099,70 32.476,71 12.698,72 39.708,73 17.467,74 0.604,75 2.236,76 41.38,77 14.856,78 82.06,79 20.484,80 0.692,81 1.932,82 41.783,83 13.638,84 82.816,85 19.776,86 0.406,87 1.682,88 32.525,89 11.393,90 44.407,91 16.884,92 0.783,93 1.737,94 35.18,95 11.073,96 71.554,97 16.152,98 0.433,99 1.635,100 29.999,101 10.003,102 50.145,103 14.366,104 11,105 54,106 0.255,107 0.572,108 0.726,109 0.796,110 0.828,111 0.828,112 3.56,113 0.909,114 -5.71,115 -5.58,116 -5.2,119 41,121 2,125 6,131 1,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 4,176 3,178 11,181 1,182 5,186 3,189 8,193 8,197 1,199 3,203 9,206 1,211 2,215 7,218 1,222 1,226 6,229 2,233 1,236 1,237 5,244 3,249 1,252 1,256 5,259 2170,260 23.004,261 23.004,262 23.004,263 23.004,264 23.004,265 20.631,266 28.653,267 13.47,268 23.706,269 18.793,270 18.793,271 18.793,272 18.793,273 18.793,274 15.222,275 32.753,276 6.426,277 20.008,278 4.34,279 2.36,280 1.404,281 0.963,282 0.766,283 0.766,284 4.267,288 1,289 1,290 1188,291 3.808,294 188.495,295 354.337,298 161.497,302 2.536,303 36.12,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 75.5,315 537,316 4.568,317 4.46,318 7.111,319 4.171,320 3.314,321 4.518,322 3.825,323 11.657,324 3.062,325 4.439,326 3.197,327 6.566,328 4.099,329 3.118,330 3.835,331 0.916,332 10.431,333 2.883,334 4.129,335 3.061,336 6.095,337 3.69,338 2.754,339 3.731,340 0.8,341 8.884,342 2.578,343 3.879,344 2.884,345 5.618,346 3.655,347 2.718,348 3.183,349 0.172,350 7.794,351 2.538,352 3.594,353 2.759,354 5.337,355 3.409,356 2.46,357 2.813,359 6.964,360 2.316,361 3.429,362 2.38,363 5.129,364 3.056,365 2.105,366 2.624,368 6.028,369 2.015,370 3.251,371 2.18,372 4.978,373 2.958,374 2.007,375 2.586,377 5.915,378 1.878,379 3.16,380 1.92,381 4.556,382 2.73,383 1.776,384 2.204,386 4.655,387 1.69,388 2.869,389 1.794,390 4.514,391 2.496,392 1.568,393 1.95,395 4.606,396 1.414,397 2.741,398 1.368,399 4.133,400 2.308,401 1.325,402 1.844,404 3.481,405 1.3,406 2.5,407 1.162,408 3.474,409 2.086,410 1.122,411 1.5,413 2.535,414 1.079,415 2.426,416 1.146,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.256,425 1,426 3.414,427 1.967,428 1,429 1.197,431 2.275,432 0.965,433 2.118,434 0.935,435 3.318,436 1.86,437 0.895,438 1,440 2.098,441 0.862,442 2,443 0.681,444 3.181,445 1.563,446 0.618,447 0.927,449 1.473,450 0.579,451 15.757,452 0.463,453 0.89,454 0.026,455 41,456 1.206,457 18,458 0.529,459 23,460 0.676,461 30.552,462 0.899,463 37.643,464 0.617,465 31.78,466 0.935,467 8.249,468 0.243,469 8.204,470 0.241,471 0.054,472 0.032,473 0.267,476 3,479 0.587,480 1.159,481 0.707,482 1.143,483 0.532,484 1,485 0.571,486 0.771,487 0.851,488 0.89,489 0.324,490 0.918,491 0.562,492 0.894,493 0.944,494 1.135,495 0.398,496 1.142,497 0.762,498 0.961,499 0.987,500 1.123,501 0.709,502 1.125,503 0.673,504 0.75,505 0.883,506 0.892,507 0.619,508 0.932,509 0.409,510 0.78,511 0.846,512 1.047,513 0.29,514 1.06,515 0.684,516 0.735,517 0.956,518 0.937,519 0.701,520 1.004,521 0.66,522 0.895,523 0.949,524 1.064,525 0.57,526 1.075,527 7.5,528 0.181,529 4,530 1.632,531 1.308,532 0.951,533 0.606,534 0.43,535 0.25,536 0.198,537 21346,538 64562,539 2.138,540 44.3,541 2,542 19,543 1,544 2,545 1,547 2,550 1.751,551 2.03,552 3.896,553 -0.334,559 97.032,560 1.591,561 3.57,562 4.527,563 4.968,564 5.164,565 5.164,566 3.352,567 4.293,568 5.06,569 4.152,570 2329.46,571 8.819,572 39104.6,577 361.775,578 1.396,579 5.027,580 0.197,581 0.007,582 0.074,583 0.033,584 0.03,585 0.024,586 0.016,587 0.012,588 0.008,589 0.007,590 0.407,591 0.33,592 0.63,593 0.608,594 188.531,595 -0.003,596 -0.148,597 0.059,598 -0.078,599 -0.044,600 -0.015,601 0.301,602 0.268,603 0.036,604 0.1,605 0.452,606 0.028,607 -0.011,608 -0.071,609 -0.079,610 -0.119,611 0.068,612 -0.118,613 -0.028,614 -0.117,615 -0.039,616 -0.114,617 0.015,618 -0.089,619 -0.003,620 -0.003,621 0.091,622 0.076,623 -0.004,624 0.103,625 0.048,626 -0.097,627 0.055,628 -0.074,629 0.046,630 -0.024,631 0.078,632 0.081,633 0.017,634 0.017,635 -0.013,636 -0.002,637 -0.009,638 -0.12,639 -0.011,640 -0.107,641 -0.007,642 -0.069,643 5.531,644 4.742,645 0.765,646 43.166,647 1.012,648 1.147,649 4.484,650 20.109,651 0.655,652 3.664,653 4.007,654 4.248,655 4.477,656 4.654,657 4.762,658 4.89,659 5.004,660 5.037,661 5.1,662 9.414,663 0.633,664 468.58,665 3.664,666 5.22,667 6.066,668 6.944,669 7.803,670 8.682,671 9.547,672 10.427,673 11.295,674 12.176,675 9.8,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 61,716 21,717 2,718 38,720 65,721 25,722 16,723 5,724 7,730 5,731 6,736 1,742 1,743 2,745 16,746 9,762 3,764 27,765 7,766 1,767 9,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 3,827 34,833 8,838 2,839 1,844 1,846 3,854 16.75,855 10.762,856 7.25,857 3.73,858 3.682,859 1.438,860 1.023,861 6.622,862 12.081,863 3.902,864 4.5,865 5.077,866 5.651,867 6.1,868 6.458,869 6.872,870 7.251,871 7.43,872 7.647,873 1,874 50,875 12.942,877 5.901,878 7.904,879 24.114,881 20.301,883 2.404,884 81.75,888 306.049,889 135.112,890 58.259,893 44.88,895 135.112,896 306.049,897 103.14,899 17.703,900 75.381,901 74.105,902 84.7,903 13.915,904 270.735,905 7.76,906 306.049,907 193.371,908 44.88,911 282.506,912 68.423,915 67.633,916 92.412,917 33.326,919 350.929,920 58.259,921 135.112,924 313.808,925 34.734,926 100.766,927 16.786,928 78.206,929 306.049,930 103.14,931 135.112,933 0.59,934 0.333,935 0.17,936 0.086,937 27,938 11,939 0.108,940 7,941 1,942 1.077,943 4.737,944 307.377,945 0.077,946 26,947 156.219,951 22.949,952 9.812,953 5.479,954 2.358,955 84.455,956 17.33,957 7.772,958 3.367,961 2.686,962 1.903,963 16.786,964 544.3,965 48.5,975 61.752,976 69.991,977 0.268,978 0.602,979 0.763,980 0.838,981 0.871,982 0.871,983 5.155,984 1.776,985 6.071,986 5.915,987 4.691,988 5.187,989 3.149,990 6.889,991 4.575,992 6.359,993 1.568,994 7.639,995 4.655,996 4.369,997 4.977,998 3.919,999 7.966,1000 4.091,1001 7.67,1002 1.325,1003 9.316,1004 4.606,1005 6.337,1006 7.379,1007 5.427,1008 10.966,1009 6.087,1010 9.017,1011 1.122,1012 11.061,1013 3.481,1014 6.847,1015 8.043,1016 6.691,1017 12.879,1018 6.434,1019 10.4,1020 1,1021 12.851,1022 2.535,1023 8.295,1024 9.902,1025 8.058,1026 15.454,1027 7.886,1028 11.806,1029 1,1030 14.674,1031 2.275,1032 9.166,1033 10.981,1034 9.389,1035 17.681,1036 8.614,1037 13.232,1038 0.895,1039 16.52,1040 2.275,1041 10.425,1042 12.618,1043 10.734,1044 20.141,1045 9.847,1046 3.314,1047 0.618,1048 18.385,1049 2.098,1050 11.458,1051 13.904,1052 12.074,1053 22.49,1054 10.76,1055 3.118,1056 11.657,1057 20.265,1058 1.473,1059 12.649,1060 15.449,1061 13.416,1062 24.921,1063 11.901,1064 2.754,1065 10.431,1066 22.156,1067 4.518,1068 13.755,1069 16.838,1070 14.758,1071 27.318,1072 12.904,1073 2.718,1074 8.884,1075 24.057,1076 3.835,1077 14.926,1078 18.347,1079 16.1,1080 29.746,1081 14.01,1082 2.46,1083 7.794,1084 25.966,1085 3.731,1086 16.067,1087 19.789,1088 17.441,1089 32.166,1090 15.058,1091 2.105,1092 6.964,1093 27.881,1094 3.183,1095 17.234,1096 21.285,1097 18.783,1098 34.597,1099 16.153,1100 2.007,1101 6.028,1102 29.802,1103 2.813,1104 18.392,1105 22.754,1106 20.124,1107 37.028,1108 17.224,1109 19692,1110 34543,1111 25.83,1112 39.983,1113 58.053,1114 56.725,1115 57.08,1116 57.516,1117 57.254,1118 72.808,1119 11.428,1120 166.108,1121 53.891,1122 5.568,1123 6.46,1124 6.708,1125 5.239,1126 5.314,1127 7.518,1128 5.335,1129 18.535,1130 5.062,1131 14.533,1132 1.528,1133 1.493,1134 1.502,1135 1.514,1136 1.507,1137 1.916,1138 0.301,1139 4.371,1140 1.418,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 8.513,1146 4.07,1147 3.971,1148 4.012,1149 3.916,1150 3.886,1151 7.999,1152 3.886,1153 3.837,1154 3.909,1155 3.789,1156 3.641,1157 7.999,1158 3.653,1159 3.805,1160 3.872,1161 3.709,1162 3.574,1163 5.135,1164 3.61,1165 3.531,1166 3.601,1167 3.422,1168 3.369,1169 4.927,1170 3.368,1171 3.37,1172 3.422,1173 3.324,1174 3.158,1175 4.698,1176 3.18,1177 3.266,1178 3.333,1179 3.165,1180 3.07,1181 4.359,1182 3.083,1183 3.111,1184 3.206,1185 2.927,1186 2.941,1187 4.255,1188 2.91,1189 0.12,1190 0.117,1191 0.187,1192 0.11,1193 0.087,1194 4.568,1195 0.119,1196 4.46,1197 0.101,1198 7.111,1199 0.307,1200 4.171,1201 0.081,1202 3.314,1203 4.518,1204 3.825,1205 11.657,1206 3.062,1207 1.961,1208 1.936,1209 2.066,1210 2.069,1211 1.368,1212 2.072,1213 1.935,1214 1.906,1215 2.039,1216 2.048,1217 1.26,1218 2.045,1219 1.785,1220 1.719,1221 1.969,1222 1.967,1223 1.152,1224 1.971,1225 1.64,1226 1.581,1227 1.846,1228 1.819,1229 1.086,1230 1.831,1231 1.407,1232 1.335,1233 1.584,1234 1.666,1235 0.825,1236 1.644,1237 1.33,1238 1.268,1239 1.513,1240 1.554,1241 0.752,1242 1.539,1243 1.201,1244 1.147,1245 1.491,1246 1.454,1247 0.644,1248 1.429,1249 1.153,1250 1.064,1251 1.418,1252 1.442,1253 0.578,1254 1.428,1255 4.344,1257 5.68,1258 3.045,1259 7.194,1260 5.283,1261 8.785,1262 7.286,1263 10.417,1267 38.227,1271 7.605,1276 4.784,1277 -4.281,1280 38.6,1281 97.032,1282 217.785,1283 276.149,1284 303.02,1285 315.02,1286 315.02,1287 57.03,1288 8.399,1289 52.98,1290 52.98,1291 28,1292 12.714,1293 4.459,1294 3.524,1295 50.583,1296 197,1297 162,1298 0.123,1299 231.626,1300 396.11,1301 556.927,1302 66448,1303 4.9,1304 23.545,1305 0.693,1306 0.553,1307 21.045,1308 18.8,1309 16.454,1310 0.433,1311 0.303,1312 11.302,1313 15.643,1314 11.141,1315 9.135,1316 15.242,1317 11.515,1318 15.516,1319 0.287,1320 0.163,1321 13.558,1322 8.829,1323 12.561,1324 0.182,1325 0.095,1326 11.625,1327 6.541,1328 10.256,1329 0.118,1330 0.053,1331 9.556,1332 4.589,1333 7.828,1334 0.075,1335 0.031,1336 7.563,1337 3.219,1338 0.204,1339 104.226,1340 0.197,1341 32.537,1342 0.308,1343 184,1344 656.892,1345 212.202,1346 559.579,1347 745.1,1348 522,1349 215,1350 535.476,1351 238.66,1352 525.176,1353 782.78,1354 492,1355 7.959} {0 CHEMBL163386,1 1.457,2 14.219,3 3.151,4 9.929,5 129.513,6 6.945,7 0.583,8 4.226,9 4.363,10 3.748,11 3.739,12 5.245,13 3.711,14 4.787,15 4.983,16 4.074,17 4.163,18 5.695,19 4.105,20 5.055,21 5.293,22 4.085,23 4.337,24 5.859,25 4.222,26 5.171,27 5.421,28 4.064,29 4.387,30 5.96,31 4.243,32 5.257,33 5.54,34 4.001,35 4.339,36 6.049,37 4.182,38 5.148,39 5.436,40 3.893,41 4.222,42 5.93,43 4.068,44 4.983,45 5.267,46 3.779,47 4.098,48 5.724,49 3.943,50 4.883,51 5.169,52 3.601,53 3.979,54 5.619,55 3.818,56 0.084,57 0.971,58 14.122,59 5.415,60 12.557,61 7.75,62 0.284,63 1.58,64 26.276,65 8.842,66 23.506,67 13.125,68 0.354,69 1.884,70 35.231,71 12.743,72 29.27,73 18.84,74 0.239,75 2.015,76 39.723,77 14.961,78 32.183,79 22.018,80 0.433,81 2.032,82 45.239,83 15.494,84 51.618,85 23.058,86 0.487,87 1.833,88 40.828,89 13.391,90 49.356,91 20.255,92 0.317,93 1.623,94 33.936,95 11.516,96 31.386,97 17.585,98 0.33,99 1.444,100 30.952,101 10.08,102 31.447,103 15.448,104 3,105 49,106 0.233,107 0.562,108 0.735,109 0.816,110 0.843,111 0.843,112 3.502,113 0.949,114 -4.38,115 -4.31,116 -4.07,119 40.3,121 2,125 6,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 4,176 3,178 11,181 1,182 5,184 1,186 4,189 8,193 8,197 3,199 3,203 9,206 1,208 2,211 2,215 7,218 2,220 1,222 1,226 6,229 2,233 1,236 1,237 5,242 1,244 3,249 1,252 1,254 1,256 5,259 1732,260 22.507,261 22.507,262 22.507,263 22.507,264 22.507,265 20.093,266 24.916,267 13.47,268 22.979,269 17.745,270 17.745,271 17.745,272 17.745,273 17.745,274 14.197,275 30.324,276 6.302,277 18.525,278 4.497,279 2.438,280 1.354,281 0.851,282 0.677,283 0.677,284 4.215,288 1,289 1,290 1016,291 3.317,294 171.631,295 325.277,298 146.263,302 2.156,303 17.101,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 455,316 4.568,317 3.355,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.158,326 3.196,327 6.493,328 3.967,329 3.01,330 3.731,331 0.8,332 10.136,333 2.886,334 4.129,335 2.888,336 6.095,337 3.689,338 2.753,339 3.575,340 0.172,341 8.884,342 2.578,343 3.619,344 2.824,345 5.415,346 3.456,347 2.519,348 2.813,350 7.106,351 2.357,352 3.434,353 2.344,354 5.148,355 3.095,356 2.136,357 2.722,359 6.14,360 2.047,361 3.312,362 2.179,363 5.114,364 2.996,365 2.022,366 2.592,368 5.986,369 1.959,370 3.245,371 1.795,372 4.514,373 2.731,374 1.776,375 2.397,377 4.655,378 1.691,379 2.842,380 1.741,381 4.136,382 2.526,383 1.552,384 1.934,386 3.562,387 1.509,388 2.74,389 1.365,390 4.073,391 2.304,392 1.321,393 1.844,395 3.452,396 1.298,397 2.5,398 1.344,399 3.487,400 2.107,401 1.139,402 1.5,404 2.57,405 1.1,406 2.432,407 1.157,408 3.423,409 2,410 1.039,411 1.41,413 2.293,414 1,415 2.306,416 1.146,417 3.414,418 1.987,419 1,420 1.265,422 2.275,423 0.978,424 2.183,425 1,426 3.312,427 1.967,428 1,429 1.128,431 2.136,432 0.965,433 2.118,434 0.933,435 3.247,436 1.852,437 0.888,438 1,440 2.074,441 0.853,442 2,443 0.68,444 3.171,445 1.553,446 0.618,447 0.927,449 1.44,450 0.569,451 15.233,452 0.476,453 0.53,454 0.017,455 39.5,456 1.234,457 18,458 0.563,459 21.5,460 0.672,461 28.618,462 0.894,463 34.567,464 0.558,465 28.049,466 0.877,467 7.854,468 0.245,469 7.96,470 0.249,471 0.022,473 0.276,479 0.941,480 1.425,481 0.855,482 1.132,483 0.856,484 1.009,485 1.21,486 1.074,487 1.041,488 0.955,489 0.886,490 0.968,491 0.846,492 0.974,493 1.034,494 1.026,495 0.648,496 1.045,497 0.726,498 1.148,499 1.025,500 1.212,501 0.662,502 1.164,503 1.06,504 0.968,505 0.964,506 1.003,507 1.274,508 0.987,509 1.077,510 0.894,511 0.966,512 0.906,513 1.199,514 0.927,515 0.739,516 1.02,517 0.95,518 1.025,519 0.621,520 1.012,521 1.013,522 0.93,523 1.071,524 0.982,525 0.969,526 1.022,527 4.5,528 0.124,529 3.556,530 1.569,531 1.077,532 0.833,533 0.604,534 0.273,535 0.139,536 0.144,537 17380,538 40014,539 2.194,540 48.4,541 2,542 21,543 1,544 2,545 2,547 2,550 1.738,551 2.133,552 3.77,553 0.177,559 90.347,560 1.457,561 3.516,562 4.6,563 5.103,564 5.277,565 5.277,566 3.23,567 4.375,568 4.975,569 3.975,570 1971.44,571 8.661,572 30642.4,574 1,577 369.16,578 1.043,579 4.964,580 0.125,581 0.005,582 0.073,583 0.033,584 0.024,585 0.02,586 0.016,587 0.008,588 0.005,589 0.006,590 0.315,591 0.17,592 0.88,593 0.469,594 172.201,595 0.031,596 -0.188,597 0.073,598 -0.052,599 0.023,601 -0.129,602 0.093,603 -0.074,604 0.046,605 -0.082,606 0.001,607 -0.02,608 0.065,609 -0.079,610 -0.007,611 0.017,612 -0.042,613 0.002,614 -0.175,615 -0.076,616 -0.177,617 0.066,618 -0.141,619 -0.016,620 -0.071,621 0.032,622 -0.017,623 -0.029,624 0.006,625 -0.003,626 0.015,627 0.038,628 0.06,629 -0.036,630 0.052,631 0.057,632 -0.075,633 0.028,634 -0.048,635 0.026,636 -0.021,637 -0.086,638 0.018,639 -0.081,640 -0.023,641 -0.124,642 -0.046,643 1.332,644 3.944,645 0.813,646 36.203,647 0.993,648 1.132,649 3.152,650 9.934,651 0.655,652 3.611,653 3.912,654 4.22,655 4.477,656 4.635,657 4.71,658 4.86,659 4.949,660 4.956,661 5.011,662 8.414,663 0.616,664 430.61,665 3.611,666 5.142,667 5.999,668 6.868,669 7.738,670 8.612,671 9.487,672 10.364,673 11.241,674 12.12,675 9.7,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 62,716 21,717 2,718 36,720 66,721 25,722 16,723 4,724 8,730 5,731 6,736 1,743 3,745 16,746 9,764 30,765 5,766 2,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,815 2,817 1,819 4,827 32,832 1,833 8,837 1,838 2,844 1,847 1.6,848 1,854 15,855 10.7,856 7.139,857 3.808,858 3.531,859 1.432,860 0.993,861 6.534,862 11.699,863 3.861,864 4.431,865 5.035,866 5.62,867 6.049,868 6.376,869 6.823,870 7.227,871 7.4,872 7.618,873 1,874 48,875 11.831,877 4.998,878 7.505,879 23.366,881 19.678,883 2.005,884 64.167,887 1,888 329.591,889 131.537,890 58.259,892 42.683,895 131.537,896 372.274,897 58.259,899 15.598,900 127.541,901 74.105,902 36.634,903 13.915,904 294.278,906 329.591,907 189.796,908 42.683,911 306.049,912 23.542,913 42.683,915 57.768,916 98.702,917 33.326,919 329.591,920 100.943,921 131.537,924 329.591,925 29.443,926 110.242,927 16.786,928 76.009,929 329.591,930 100.943,931 131.537,933 0.57,934 0.345,935 0.193,936 0.096,937 24,938 9,939 0.121,940 8,941 1,942 1.077,943 4.561,944 287.707,945 0.077,946 26,947 145.245,951 21.197,952 9.863,953 4.755,954 2.441,955 82.258,956 22.372,957 7.822,958 3.405,961 3.642,962 1.935,963 59.469,964 562.071,965 46.5,975 61.541,976 70.182,977 0.245,978 0.591,979 0.773,980 0.857,981 0.886,982 0.886,983 5.083,984 1.552,985 5.953,986 4.655,987 4.595,988 5.118,989 1.242,990 6.746,991 4.513,992 6.252,993 1.321,994 7.494,995 3.562,996 4.007,997 4.732,998 0.57,999 7.618,1000 3.878,1001 7.535,1002 1.139,1003 9.138,1004 3.452,1005 6.163,1006 7.283,1007 0.883,1008 10.724,1009 6.004,1010 8.858,1011 1.039,1012 10.848,1013 2.57,1014 6.494,1015 7.87,1016 0.581,1017 12.476,1018 6.29,1019 10.221,1020 1,1021 12.6,1022 2.293,1023 8.025,1024 9.795,1025 0.68,1026 15.062,1027 7.797,1028 11.61,1029 1,1030 14.381,1031 2.275,1032 8.773,1033 10.845,1034 0.515,1035 17.151,1036 8.509,1037 13.02,1038 0.888,1039 16.182,1040 2.136,1041 10.053,1042 12.515,1043 0.541,1044 19.568,1045 9.766,1046 3.118,1047 0.618,1048 17.998,1049 2.074,1050 10.995,1051 13.795,1052 0.441,1053 21.794,1054 10.68,1055 3.01,1056 10.431,1057 19.825,1058 1.44,1059 12.172,1060 15.358,1061 0.438,1062 24.151,1063 11.836,1064 2.753,1065 10.136,1066 21.66,1067 4.518,1068 13.206,1069 16.751,1070 0.373,1071 26.433,1072 12.845,1073 2.519,1074 8.884,1075 23.502,1076 3.731,1077 14.341,1078 18.271,1079 0.358,1080 28.77,1081 13.96,1082 2.136,1083 7.106,1084 25.349,1085 3.575,1086 15.418,1087 19.719,1088 0.314,1089 31.077,1090 15.015,1091 2.022,1092 6.14,1093 27.2,1094 2.813,1095 16.538,1096 21.225,1097 0.296,1098 33.407,1099 16.117,1100 1.776,1101 5.986,1102 29.054,1103 2.722,1104 17.635,1105 22.7,1106 0.264,1107 35.726,1108 17.194,1109 15894,1110 24278,1111 25.137,1112 40.625,1113 53.762,1114 53.423,1115 54.106,1116 53.247,1117 53.259,1118 68.632,1119 3.778,1120 149.544,1121 51.077,1122 5.568,1123 5.355,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.174,1130 5.062,1131 7.785,1132 1.493,1133 1.484,1134 1.503,1135 1.479,1136 1.479,1137 1.906,1138 0.105,1139 4.154,1140 1.419,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 6.456,1146 4.07,1147 3.963,1148 4.01,1149 3.886,1150 3.877,1151 5.135,1152 3.873,1153 3.833,1154 3.907,1155 3.789,1156 3.639,1157 4.927,1158 3.65,1159 3.791,1160 3.853,1161 3.685,1162 3.575,1163 4.75,1164 3.609,1165 3.536,1166 3.604,1167 3.398,1168 3.377,1169 4.362,1170 3.376,1171 3.377,1172 3.435,1173 3.25,1174 3.202,1175 4.255,1176 3.204,1177 3.254,1178 3.325,1179 3.116,1180 3.076,1181 3.984,1182 3.075,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.792,1188 2.91,1189 0.127,1190 0.093,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.355,1197 0.025,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.073,1210 2.073,1211 1.377,1212 2.076,1213 1.934,1214 1.902,1215 2.042,1216 2.048,1217 1.272,1218 2.046,1219 1.782,1220 1.717,1221 1.973,1222 1.952,1223 1.158,1224 1.965,1225 1.642,1226 1.584,1227 1.849,1228 1.817,1229 1.079,1230 1.831,1231 1.416,1232 1.348,1233 1.627,1234 1.671,1235 0.825,1236 1.653,1237 1.373,1238 1.313,1239 1.56,1240 1.604,1241 0.822,1242 1.6,1243 1.257,1244 1.189,1245 1.513,1246 1.478,1247 0.706,1248 1.489,1249 1.153,1250 1.064,1251 1.473,1252 1.442,1253 0.579,1254 1.429,1255 4.29,1257 5.595,1258 3.045,1259 7.096,1260 5.283,1261 8.684,1262 7.286,1263 10.319,1270 9.944,1271 7.54,1275 0.101,1276 4.964,1280 38.165,1281 90.347,1282 218.01,1283 285.186,1284 316.405,1285 327.16,1286 327.16,1287 42.834,1288 8.168,1289 73.21,1290 73.21,1291 28,1292 12.657,1293 4.459,1294 3.524,1295 46.112,1296 167,1297 138,1298 0.133,1299 232.027,1300 386.69,1301 557.907,1302 48192,1304 21.753,1305 0.68,1306 0.571,1307 21.753,1308 18.268,1309 15.814,1310 0.439,1311 0.316,1312 11.232,1313 15.221,1314 11.035,1315 9.086,1316 15.814,1317 11.389,1318 13.561,1319 0.277,1320 0.174,1321 13.561,1322 8.503,1323 12.08,1324 0.18,1325 0.098,1326 12.08,1327 6.593,1328 10.283,1329 0.118,1330 0.055,1331 10.283,1332 4.766,1333 7.77,1334 0.076,1335 0.032,1336 7.77,1337 3.229,1338 0.218,1339 98.807,1340 0.199,1341 30.647,1342 0.343,1343 170,1344 414.708,1345 182.957,1346 407.245,1347 570.45,1348 386,1349 201,1350 428.343,1351 215.901,1352 435.768,1353 634.78,1354 411,1355 9.339} {0 CHEMBL163462,1 1.492,2 14.273,3 2.758,4 7.605,5 131.278,6 7.155,7 0.568,8 4.229,9 4.37,10 3.773,11 3.743,12 5.289,13 3.722,14 4.78,15 4.974,16 4.114,17 4.166,18 5.769,19 4.116,20 5.052,21 5.279,22 4.127,23 4.339,24 5.937,25 4.236,26 5.171,27 5.42,28 4.134,29 4.39,30 6.029,31 4.264,32 5.241,33 5.509,34 4.086,35 4.347,36 6.155,37 4.217,38 5.168,39 5.448,40 3.953,41 4.249,42 6.039,43 4.106,44 5.023,45 5.312,46 3.808,47 4.119,48 5.781,49 3.966,50 4.881,51 5.162,52 3.634,53 3.985,54 5.667,55 3.833,56 0.07,57 0.994,58 13.539,59 5.17,60 12.981,61 7.408,62 0.294,63 1.592,64 25.307,65 8.635,66 32.488,67 12.748,68 0.392,69 1.894,70 34.633,71 12.471,72 38.694,73 18.139,74 0.241,75 2.04,76 39.548,77 14.487,78 38.25,79 21.415,80 0.457,81 2.066,82 44.239,83 14.417,84 68.874,85 21.56,86 0.542,87 1.898,88 41.698,89 13.286,90 66.688,91 20.101,92 0.346,93 1.668,94 35.722,95 11.852,96 39.16,97 18.178,98 0.345,99 1.451,100 30.913,101 9.863,102 39.367,103 15.104,104 6,105 51,106 0.238,107 0.576,108 0.733,109 0.813,110 0.841,111 0.841,112 3.531,113 0.928,114 -3.97,115 -3.92,116 -3.72,119 40.3,121 2,125 5,127 1,140 8,141 3,142 1,149 1,150 1,156 1,158 2,161 1,162 1,163 1,164 1,169 11,171 2,172 4,173 1,174 1,176 3,178 11,181 2,182 6,183 1,184 1,186 4,189 8,191 1,193 10,197 3,199 3,201 2,203 11,206 1,208 2,211 2,213 2,214 1,215 8,217 1,218 2,220 1,222 1,224 1,226 6,229 2,233 1,236 1,237 6,242 1,244 3,246 1,249 2,252 1,254 1,256 5,258 1,259 1868,260 22.844,261 22.844,262 22.844,263 22.844,264 22.844,265 20.247,266 25.478,267 13.644,268 23.27,269 18.297,270 18.297,271 18.297,272 18.297,273 18.297,274 14.479,275 28.296,276 6.463,277 18.994,278 4.462,279 2.339,280 1.354,281 0.851,282 0.677,283 0.677,284 4.242,289 1,290 1047,291 3.606,294 179.161,295 338.56,298 153.005,302 2.143,303 21.544,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70.5,315 471,316 4.568,317 3.833,318 6.72,319 4.099,320 3.118,321 4.518,322 2.072,323 10.848,324 3.062,325 4.267,326 3.197,327 6.566,328 4.074,329 3.103,330 3.731,331 0.927,332 10.431,333 3.015,334 4.129,335 2.995,336 6.095,337 3.689,338 2.753,339 3.645,340 0.8,341 8.884,342 2.578,343 3.633,344 2.884,345 5.42,346 3.464,347 2.53,348 2.903,349 0.307,350 7.121,351 2.359,352 3.493,353 2.763,354 5.153,355 3.145,356 2.163,357 2.812,359 6.153,360 2.126,361 3.42,362 2.344,363 5.118,364 3.02,365 2.035,366 2.596,368 5.99,369 1.998,370 3.249,371 2.179,372 4.75,373 2.826,374 1.855,375 2.535,377 4.839,378 1.779,379 3.057,380 1.795,381 4.514,382 2.728,383 1.774,384 2.089,386 4.655,387 1.688,388 2.824,389 1.603,390 4.134,391 2.398,392 1.395,393 1.931,395 3.48,396 1.396,397 2.74,398 1.365,399 3.663,400 2.304,401 1.321,402 1.843,404 3.01,405 1.298,406 2.5,407 1.163,408 3.475,409 2.084,410 1.12,411 1.5,413 2.528,414 1.077,415 2.427,416 1.146,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.258,425 1,426 3.32,427 1.967,428 1,429 1.197,431 2.136,432 0.965,433 2.118,434 0.95,435 3.247,436 1.86,437 0.895,438 1,440 2.098,441 0.862,442 2,443 0.861,444 3.195,445 1.568,446 0.618,447 0.927,449 1.481,450 0.582,451 15.633,452 0.474,453 0.657,454 0.02,455 41.75,456 1.265,457 19.5,458 0.591,459 22.25,460 0.674,461 29.006,462 0.879,463 35.367,464 0.57,465 31.214,466 0.946,467 8.363,468 0.253,469 7.823,470 0.237,471 0.047,473 0.301,479 0.839,480 1.397,481 0.823,482 1.103,483 0.656,484 0.978,485 0.973,486 1.072,487 0.974,488 0.966,489 0.512,490 0.959,491 0.94,492 0.971,493 1.057,494 1.044,495 0.898,496 1.065,497 0.74,498 1.136,499 0.971,500 1.169,501 0.649,502 1.111,503 1.18,504 1.017,505 1.031,506 1.03,507 1.465,508 1.023,509 1.096,510 0.906,511 1.026,512 0.946,513 1.308,514 0.979,515 0.725,516 0.97,517 0.929,518 0.995,519 0.563,520 0.987,521 1.025,522 0.93,523 1.097,524 0.998,525 0.933,526 1.044,527 5,528 0.141,529 3.556,530 2.069,531 1.397,532 0.889,533 0.725,534 0.305,535 0.164,536 0.144,537 18521,538 45404,539 2.168,540 46.8,541 2,542 19,543 1,544 2,545 3,547 2,550 1.746,551 2.084,552 3.756,553 0.832,559 92.531,560 1.492,561 3.615,562 4.6,563 5.103,564 5.277,565 5.277,566 3.21,567 4.499,568 5.02,569 3.979,570 2100.9,571 8.754,572 33307.9,574 1,577 369.16,578 1.182,579 4.999,580 0.135,581 0.005,582 0.07,583 0.041,584 0.029,585 0.02,586 0.019,587 0.009,588 0.006,589 0.006,590 0.339,591 0.33,592 0.88,593 0.551,594 178.986,595 0.013,596 -0.154,597 0.067,598 -0.042,599 0.005,600 0.008,601 -0.011,602 0.089,603 -0.037,604 0.037,605 0.105,606 0.006,607 -0.029,608 0.063,609 -0.106,610 -0.02,611 -0.031,612 -0.066,613 0.009,614 -0.168,615 -0.019,616 -0.135,617 0.079,618 -0.088,619 -0.079,620 -0.089,621 -0.028,622 -0.049,623 -0.095,624 -0.036,625 -0.021,626 0.011,627 -0.015,628 0.021,629 -0.084,630 0.003,631 0.055,632 -0.054,633 0.059,634 -0.013,635 0.023,636 0.017,637 -0.106,638 0.014,639 -0.103,640 -0.032,641 -0.122,642 -0.061,643 1.945,644 5.146,645 0.788,646 36.782,647 0.996,648 1.133,649 2.736,650 7.483,651 0.659,652 3.638,653 3.951,654 4.248,655 4.522,656 4.673,657 4.745,658 4.905,659 4.99,660 4.97,661 5.024,662 8.488,663 0.624,664 443.61,665 3.638,666 5.176,667 6.033,668 6.909,669 7.779,670 8.66,671 9.536,672 10.419,673 11.298,674 12.182,675 11.3,678 2,682 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 62,716 22,717 2,718 37,720 66,721 25,722 16,723 4,724 8,730 5,731 6,743 3,745 17,746 8,750 1,755 1,759 1,764 29,765 6,766 3,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,804 1,815 2,819 4,827 33,828 1,833 7,837 1,838 2,844 1,847 1.6,850 1,854 15.833,855 10.75,856 7.25,857 3.75,858 3.524,859 1.429,860 1.016,861 6.536,862 11.736,863 3.902,864 4.477,865 5.061,866 5.656,867 6.08,868 6.406,869 6.854,870 7.255,871 7.403,872 7.62,873 1,874 50,875 12.199,877 5.2,878 7.601,879 23.794,881 19.989,883 2.101,884 69.333,888 306.049,889 136.242,890 91.156,892 25.145,895 136.242,896 331.194,897 91.156,899 48.495,900 84.857,901 103.955,902 36.634,903 13.915,904 270.735,906 306.049,907 227.398,908 25.145,911 282.506,912 48.687,915 90.665,916 103.407,917 33.326,919 306.049,920 116.301,921 136.242,924 306.049,925 34.147,926 110.242,927 16.786,928 91.368,929 306.049,930 116.301,931 136.242,933 0.576,934 0.342,935 0.193,936 0.097,937 25,938 10,939 0.121,940 8,941 1,942 1.077,943 4.592,944 301.819,945 0.077,946 26,947 154.465,951 21.838,952 9.876,953 4.858,954 2.395,955 97.617,956 21.769,957 7.807,958 3.389,961 3.368,962 1.921,963 49.683,964 558.592,965 48.5,970 12.146,974 -0.278,975 61.76,976 70.265,977 0.251,978 0.607,979 0.773,980 0.857,981 0.886,982 0.886,983 5.131,984 1.774,985 5.999,986 4.839,987 4.635,988 5.165,989 2.367,990 6.804,991 4.564,992 6.312,993 1.395,994 7.548,995 4.655,996 4.111,997 4.832,998 1.916,999 7.708,1000 4.004,1001 7.601,1002 1.321,1003 9.202,1004 3.48,1005 6.213,1006 7.326,1007 3.282,1008 10.823,1009 6.073,1010 8.929,1011 1.12,1012 10.921,1013 3.01,1014 6.581,1015 7.929,1016 3.448,1017 12.615,1018 6.406,1019 10.293,1020 1,1021 12.683,1022 2.528,1023 8.091,1024 9.83,1025 4.546,1026 15.223,1027 7.891,1028 11.684,1029 1,1030 14.476,1031 2.275,1032 8.866,1033 10.884,1034 4.983,1035 17.358,1036 8.637,1037 13.096,1038 0.895,1039 16.29,1040 2.136,1041 10.141,1042 12.543,1043 5.92,1044 19.801,1045 9.89,1046 3.118,1047 0.618,1048 18.12,1049 2.098,1050 11.105,1051 13.822,1052 6.492,1053 22.073,1054 10.831,1055 3.103,1056 10.848,1057 19.962,1058 1.481,1059 12.286,1060 15.379,1061 7.335,1062 24.461,1063 11.99,1064 2.753,1065 10.431,1066 21.813,1067 4.518,1068 13.337,1069 16.77,1070 7.979,1071 26.788,1072 13.021,1073 2.53,1074 8.884,1075 23.672,1076 3.731,1077 14.481,1078 18.287,1079 8.77,1080 29.159,1081 14.145,1082 2.163,1083 7.121,1084 25.537,1085 3.645,1086 15.573,1087 19.733,1088 9.452,1089 31.507,1090 15.217,1091 2.035,1092 6.153,1093 27.406,1094 2.903,1095 16.704,1096 21.236,1097 10.216,1098 33.874,1099 16.329,1100 1.855,1101 5.99,1102 29.28,1103 2.812,1104 17.814,1105 22.71,1106 10.919,1107 36.233,1108 17.42,1109 17010,1110 26783,1111 25.542,1112 40.87,1113 55.965,1114 55.668,1115 56.032,1116 55.264,1117 55.28,1118 71.726,1119 8.212,1120 156.388,1121 53.365,1122 5.568,1123 5.833,1124 6.522,1125 5.167,1126 5.118,1127 7.518,1128 3.605,1129 17.591,1130 5.062,1131 11.072,1132 1.513,1133 1.505,1134 1.514,1135 1.494,1136 1.494,1137 1.939,1138 0.222,1139 4.227,1140 1.442,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 7.436,1146 4.07,1147 3.968,1148 4.012,1149 3.898,1150 3.878,1151 5.135,1152 3.876,1153 3.833,1154 3.907,1155 3.789,1156 3.639,1157 4.928,1158 3.65,1159 3.791,1160 3.853,1161 3.685,1162 3.575,1163 4.889,1164 3.609,1165 3.55,1166 3.612,1167 3.442,1168 3.38,1169 4.737,1170 3.384,1171 3.426,1172 3.483,1173 3.315,1174 3.223,1175 4.356,1176 3.243,1177 3.264,1178 3.335,1179 3.147,1180 3.083,1181 4.254,1182 3.088,1183 3.111,1184 3.206,1185 2.874,1186 2.941,1187 3.972,1188 2.91,1189 0.123,1190 0.104,1191 0.182,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.833,1197 0.056,1198 6.72,1199 0.293,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 2.072,1205 10.848,1206 3.062,1207 1.961,1208 1.936,1209 2.067,1210 2.074,1211 1.369,1212 2.074,1213 1.933,1214 1.902,1215 2.04,1216 2.049,1217 1.26,1218 2.046,1219 1.782,1220 1.717,1221 1.973,1222 1.952,1223 1.141,1224 1.965,1225 1.641,1226 1.584,1227 1.847,1228 1.817,1229 1.076,1230 1.831,1231 1.417,1232 1.354,1233 1.592,1234 1.677,1235 0.825,1236 1.653,1237 1.375,1238 1.318,1239 1.526,1240 1.631,1241 0.745,1242 1.604,1243 1.261,1244 1.196,1245 1.513,1246 1.491,1247 0.627,1248 1.495,1249 1.153,1250 1.064,1251 1.467,1252 1.442,1253 0.578,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.136,1260 5.283,1261 8.73,1262 7.286,1263 10.37,1269 5.75,1271 6.722,1275 -0.348,1276 4.692,1280 38.659,1281 92.531,1282 224.139,1283 285.186,1284 316.405,1285 327.16,1286 327.16,1287 49.043,1288 8.213,1289 96.07,1290 96.07,1291 28,1292 12.716,1293 4.524,1294 3.644,1295 48.227,1296 174,1297 137,1298 0.134,1299 235.894,1300 395.05,1301 567.342,1302 50521,1304 22.623,1305 0.686,1306 0.564,1307 22.623,1308 18.6,1309 16.187,1310 0.437,1311 0.309,1312 11.287,1313 15.568,1314 11.09,1315 9.142,1316 16.187,1317 11.446,1318 14.31,1319 0.281,1320 0.169,1321 14.31,1322 8.61,1323 12.256,1324 0.178,1325 0.095,1326 12.256,1327 6.545,1328 10.619,1329 0.117,1330 0.053,1331 10.619,1332 4.796,1333 8.013,1334 0.076,1335 0.031,1336 8.013,1337 3.261,1338 0.219,1339 101.202,1340 0.198,1341 31.35,1342 0.345,1343 176,1344 451.606,1345 190.759,1346 444.782,1347 616.81,1348 418,1349 208,1350 463.31,1351 224.26,1352 470.629,1353 684.18,1354 443,1355 8.529} {0 CHEMBL163516,1 1.321,2 14.229,3 6.179,4 38.185,5 151.098,6 6.517,7 0.244,8 4.403,9 4.542,10 3.887,11 3.989,12 5.203,13 3.917,14 5.06,15 5.257,16 4.318,17 4.502,18 5.78,19 4.398,20 5.428,21 5.675,22 4.37,23 4.718,24 6.09,25 4.54,26 5.501,27 5.795,28 4.267,29 4.668,30 6.13,31 4.44,32 5.303,33 5.585,34 4.211,35 4.514,36 5.984,37 4.305,38 5.18,39 5.433,40 4.104,41 4.446,42 5.89,43 4.27,44 5.227,45 5.494,46 4.041,47 4.446,48 5.874,49 4.274,50 5.238,51 5.529,52 3.912,53 4.395,54 5.842,55 4.179,56 0.124,57 1.124,58 18.67,59 7.672,60 9.625,61 11.041,62 0.245,63 2.043,64 37.031,65 13.996,66 18.806,67 20.613,68 0.335,69 2.739,70 55.357,71 21.195,72 29.145,73 30.236,74 0.376,75 2.792,76 64.03,77 23.631,78 35.39,79 32.316,80 0.358,81 2.368,82 54.824,83 19.522,84 33.813,85 26.257,86 0.299,87 2.158,88 47.806,89 16.899,90 30.573,91 23.126,92 0.297,93 2.18,94 43.089,95 16.12,96 25.264,97 23.771,98 0.292,99 2.111,100 44.256,101 17.261,102 26.481,103 24.738,104 2,105 61,106 0.205,107 0.503,108 0.705,109 0.799,110 0.799,111 0.799,112 3.588,113 1.07,114 -6.03,115 -5.88,116 -5.47,119 40,121 10,122 3,123 1,125 5,134 1,135 1,140 3,141 3,149 1,150 1,156 1,166 1,169 22,172 5,176 4,178 29,182 3,186 8,189 23,193 5,197 5,199 13,203 6,206 1,208 5,211 8,215 7,220 4,222 11,226 3,231 4,233 12,237 3,240 1,242 1,244 18,253 1,254 1,256 18,259 2209,260 24.245,261 24.245,262 24.245,263 24.245,264 24.245,265 22.778,266 23.669,267 13.942,268 24.572,269 20.305,270 20.305,271 20.305,272 20.305,273 20.305,274 17.965,275 27.402,276 6.698,277 20.841,278 4.908,279 2.981,280 1.677,281 1.067,282 1.067,283 1.067,284 4.32,289 1,290 1161,291 3.742,294 190.324,295 623.531,297 416.697,298 154.481,302 2.407,303 14.65,306 0.75,307 0.5,308 1,309 1,310 0.5,311 1,312 1,313 0.82,314 72,315 498,316 4.603,317 4.155,318 7.653,319 4.538,320 3.552,321 4.515,322 2.013,323 14.076,324 3.504,325 4.568,326 3.202,327 6.566,328 4.109,329 3.12,330 3.697,331 0.8,332 10.433,333 3.087,334 4.113,335 3.082,336 6.101,337 3.774,338 2.789,339 3.553,340 0.657,341 8.909,342 2.751,343 3.713,344 2.985,345 5.761,346 3.628,347 2.643,348 2.776,350 8.1,351 2.601,352 3.562,353 2.833,354 5.384,355 3.467,356 2.536,357 2.737,359 7.064,360 2.361,361 3.444,362 2.564,363 5.366,364 3.321,365 2.363,366 2.517,368 7.016,369 2.254,370 3.329,371 2.401,372 5.105,373 3,374 2,375 2.487,377 6.076,378 2,379 3.014,380 2.147,381 5.061,382 3,383 2,384 2.115,386 6.076,387 2,388 3,389 2,390 5.061,391 2.963,392 1.979,393 2,395 5.941,396 1.946,397 3,398 2,399 4.681,400 2.55,401 1.589,402 2,404 4.496,405 1.525,406 2.745,407 1.649,408 4.395,409 2.332,410 1.365,411 1.786,413 3.87,414 1.323,415 2.665,416 1.401,417 4.102,418 2.245,419 1.319,420 1.628,422 3.343,423 1.201,424 2.345,425 1.396,426 3.52,427 2.137,428 1.163,429 1.329,431 2.741,432 1.124,433 2.137,434 1.235,435 3.414,436 1.984,437 1,438 1.048,440 2.275,441 0.983,442 2.058,443 0.859,444 3.396,445 1.729,446 0.77,447 0.997,449 1.806,450 0.736,451 17.433,452 0.498,453 0.883,454 0.025,455 33,456 0.943,457 10.5,458 0.3,459 22.5,460 0.643,461 45.157,462 1.29,463 38.367,464 0.512,465 19.87,466 0.568,467 4.944,468 0.141,469 12.189,470 0.348,471 0.048,472 0.029,473 0.304,479 0.949,480 1.193,481 0.819,482 0.98,483 0.708,484 1.01,485 1.26,486 1.12,487 0.885,488 0.956,489 0.676,490 1.009,491 1.055,492 1.142,493 1.027,494 1.096,495 0.868,496 1.141,497 0.979,498 0.989,499 1.092,500 1.033,501 1.296,502 0.97,503 1.102,504 1.001,505 1.197,506 1.064,507 1.425,508 0.938,509 1.33,510 1.157,511 1.369,512 1.221,513 1.546,514 1.066,515 1.268,516 1.046,517 0.914,518 0.951,519 0.967,520 1.057,521 0.862,522 0.975,523 0.871,524 0.951,525 0.799,526 1.035,527 8.5,528 0.169,529 3.778,530 2.264,531 1.654,532 1.146,533 0.568,534 0.451,535 0.374,536 0.158,537 23163,538 37209,539 2.272,540 53.3,541 15,542 14,543 1,545 2,547 8,550 1.762,551 2.199,552 3.76,553 0.077,559 99.078,560 1.321,561 3.248,562 4.552,563 5.162,564 5.162,565 5.162,566 3.237,567 4.357,568 5.102,569 4.005,570 2382.94,571 8.923,572 38432.6,577 467.161,578 1.239,579 5.086,580 0.207,581 0.005,582 0.062,583 0.04,584 0.034,585 0.025,586 0.012,587 0.01,588 0.011,589 0.005,590 0.412,591 0.17,592 0.63,593 0.293,594 192.041,595 0.165,596 0.008,597 0.071,598 0.034,599 0.131,600 0.058,601 -0.062,602 0.007,603 0.009,604 0.012,605 0.12,606 0.011,607 -0.075,608 -0.113,609 -0.082,610 -0.111,611 0.032,612 -0.137,613 -0.006,614 -0.018,615 0.018,616 0.013,617 -0.053,618 0.018,619 0.045,620 0.018,621 0.035,622 0.038,623 -0.02,624 0.056,625 -0.106,626 -0.088,627 -0.155,628 -0.119,629 -0.149,630 -0.061,631 -0.134,632 -0.04,633 -0.083,634 -0.061,635 -0.105,636 -0.09,637 0.018,638 -0.033,639 -0.016,640 -0.036,641 0.032,642 -0.063,643 0.946,644 2.424,645 0.857,646 40.632,647 0.979,648 1.125,649 4.804,650 23.075,651 0.658,652 3.738,653 4.127,654 4.454,655 4.787,656 5.05,657 5.204,658 5.389,659 5.493,660 5.497,661 5.587,662 8.544,663 0.597,664 488.81,665 3.738,666 5.323,667 6.209,668 7.122,669 8.02,670 8.938,671 9.842,672 10.763,673 11.671,674 12.595,675 5.3,678 2,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 75,716 12,717 1,718 41,720 81,721 30,722 8,723 3,724 3,725 2,730 7,731 12,737 1,739 1,740 9,741 3,743 10,745 11,746 19,747 3,750 2,756 1,757 1,759 2,764 40,765 3,766 2,767 5,768 1,773 4,776 1,777 0.571,788 1,789 1,792 2,793 6,795 3,796 1,810 1,811 1,815 1,819 4,821 1,827 35,833 15,834 1,837 3,838 2,839 1,854 15.917,855 12.983,856 7.292,857 5.203,858 2.433,859 1.265,860 1.021,861 5.984,862 11.625,863 3.892,864 4.446,865 4.988,866 5.53,867 5.999,868 6.364,869 6.786,870 7.136,871 7.263,872 7.522,873 1,874 57,875 13.102,877 5.83,878 7.226,879 27.124,881 25.175,883 1.726,884 60.417,888 447.302,889 143.005,890 40.8,894 45.192,895 97.813,896 447.302,897 40.8,899 53.762,900 46.952,901 0.713,902 35.041,903 13.915,904 435.531,905 45.192,906 447.302,907 138.613,909 45.192,911 353.133,912 94.169,915 76.674,916 52.463,917 9.476,918 45.192,919 447.302,920 40.8,921 143.005,924 447.302,925 50.861,926 53.079,927 34.674,928 45.192,929 447.302,930 40.8,931 143.005,933 0.597,934 0.353,935 0.196,936 0.103,937 35,938 13,939 0.074,940 6,941 7,942 1.333,943 4.814,944 353.349,945 0.467,946 26,947 161.26,949 1,951 22.805,952 9.184,953 4.379,954 2.678,955 24.014,956 9.243,958 3.506,961 2.859,963 34.674,964 631.107,965 48,971 6.091,972 2.427,974 2.641,975 73.388,976 84.387,977 0.212,978 0.521,979 0.731,980 0.829,981 0.829,982 0.829,983 5.207,984 2,985 6.225,986 6.076,987 4.812,988 5.133,989 2.242,990 7.102,991 4.765,992 6.39,993 1.979,994 7.821,995 6.076,996 4.511,997 4.987,998 1.784,999 8.286,1000 4.448,1001 7.71,1002 1.589,1003 9.526,1004 5.941,1005 6.503,1006 7.24,1007 3.16,1008 11.388,1009 6.424,1010 9.06,1011 1.365,1012 11.301,1013 4.496,1014 7.04,1015 7.972,1016 3.274,1017 13.492,1018 6.949,1019 10.449,1020 1.319,1021 13.127,1022 3.87,1023 8.517,1024 9.738,1025 4.382,1026 16.207,1027 8.415,1028 11.864,1029 1.163,1030 14.992,1031 3.343,1032 9.439,1033 10.879,1034 4.763,1035 18.666,1036 9.326,1037 13.3,1038 1,1039 16.89,1040 2.741,1041 10.738,1042 12.468,1043 5.699,1044 21.304,1045 10.615,1046 3.552,1047 0.77,1048 18.813,1049 2.275,1050 11.837,1051 13.798,1052 6.22,1053 23.883,1054 11.704,1055 3.12,1056 14.076,1057 20.757,1058 1.806,1059 13.082,1060 15.323,1061 7.054,1062 26.513,1063 12.938,1064 2.789,1065 10.433,1066 22.718,1067 4.515,1068 14.261,1069 16.741,1070 7.653,1071 29.133,1072 14.107,1073 2.643,1074 8.909,1075 24.694,1076 3.697,1077 15.495,1078 18.244,1079 8.428,1080 31.767,1081 15.331,1082 2.536,1083 8.1,1084 26.68,1085 3.553,1086 16.712,1087 19.704,1088 9.071,1089 34.401,1090 16.535,1091 2.363,1092 7.064,1093 28.676,1094 2.776,1095 17.95,1096 21.202,1097 9.814,1098 37.04,1099 17.762,1100 2,1101 7.016,1102 30.679,1103 2.737,1104 19.185,1105 22.683,1106 10.481,1107 39.679,1108 18.984,1109 20232,1110 25779,1111 28.72,1112 49.376,1113 63.076,1114 64.426,1115 63.479,1116 62.412,1117 62.313,1118 72.42,1119 6.941,1120 188.882,1121 60.68,1122 5.603,1123 6.155,1124 7.283,1125 5.578,1126 5.552,1127 7.515,1128 3.526,1129 21.494,1130 5.504,1131 7.784,1132 1.538,1133 1.571,1134 1.548,1135 1.522,1136 1.52,1137 1.766,1138 0.169,1139 4.607,1140 1.48,1141 4.156,1142 4.192,1143 4.118,1144 4.081,1145 4.969,1146 4.082,1147 4.072,1148 4.112,1149 4.056,1150 4.005,1151 4.824,1152 3.989,1153 3.851,1154 3.918,1155 3.777,1156 3.713,1157 4.478,1158 3.712,1159 3.82,1160 3.883,1161 3.712,1162 3.667,1163 4.357,1164 3.666,1165 3.487,1166 3.54,1167 3.672,1168 3.419,1169 4.335,1170 3.369,1171 3.39,1172 3.442,1173 3.319,1174 3.315,1175 4.163,1176 3.285,1177 3.239,1178 3.318,1179 3.095,1180 3.096,1181 3.854,1182 3.073,1183 3.228,1184 3.304,1185 3.039,1186 3.096,1187 3.71,1188 3.073,1189 0.112,1190 0.101,1191 0.187,1192 0.111,1193 0.087,1194 4.603,1195 0.11,1196 4.155,1197 0.049,1198 7.653,1199 0.343,1200 4.538,1201 0.085,1202 3.552,1203 4.515,1204 2.013,1205 14.076,1206 3.504,1207 2.072,1208 2.035,1209 2.233,1210 2.173,1211 1.706,1212 2.198,1213 1.993,1214 1.97,1215 2.088,1216 2.073,1217 1.331,1218 2.08,1219 1.749,1220 1.699,1221 1.923,1222 1.914,1223 1.23,1224 1.919,1225 1.666,1226 1.603,1227 1.86,1228 1.872,1229 1.211,1230 1.871,1231 1.577,1232 1.507,1233 1.853,1234 1.751,1235 1.068,1236 1.793,1237 1.428,1238 1.372,1239 1.639,1240 1.66,1241 0.954,1242 1.658,1243 1.401,1244 1.35,1245 1.562,1246 1.529,1247 0.947,1248 1.559,1249 1.262,1250 1.192,1251 1.562,1252 1.445,1253 0.947,1254 1.489,1255 4.419,1257 5.79,1258 3.045,1259 7.363,1260 5.283,1261 9.038,1262 7.273,1263 10.769,1271 19.117,1272 3.736,1275 2.826,1276 4.989,1277 0.304,1280 44.755,1281 99.078,1282 243.577,1283 341.387,1284 387.122,1285 387.122,1286 387.122,1287 47.159,1288 9.192,1289 34.3,1290 66.39,1291 40,1292 13.104,1293 3.7,1294 3,1295 43.593,1296 183,1297 166,1298 0.114,1299 267.531,1300 465.91,1301 644.535,1302 162749,1304 23.407,1305 0.669,1306 0.624,1307 23.907,1308 21.845,1309 17.133,1310 0.418,1311 0.357,1312 14.155,1313 16.558,1314 13.816,1315 11.288,1316 17.422,1317 14.621,1318 16.26,1319 0.267,1320 0.211,1321 16.608,1322 12.845,1323 14.399,1324 0.169,1325 0.124,1326 14.823,1327 10.547,1328 12.842,1329 0.108,1330 0.075,1331 13.185,1332 8.933,1333 10.407,1334 0.067,1335 0.044,1336 10.775,1337 6.814,1338 0.185,1339 107.771,1340 0.187,1341 32.733,1342 0.298,1343 204,1344 356.816,1345 225.305,1346 381.961,1347 543.55,1348 362,1349 248,1350 405.907,1351 269.407,1352 425.114,1353 630.87,1354 403,1355 7.538} {0 CHEMBL163573,1 1.411,2 14.133,3 2.94,4 8.641,5 121.022,6 7.045,7 0.618,8 4.148,9 4.29,10 3.692,11 3.661,12 5.157,13 3.637,14 4.709,15 4.914,16 4.012,17 4.076,18 5.613,19 4.024,20 4.95,21 5.193,22 3.96,23 4.226,24 5.736,25 4.107,26 5.041,27 5.309,28 3.872,29 4.231,30 5.762,31 4.073,32 5.043,33 5.343,34 3.814,35 4.14,36 5.74,37 3.984,38 4.892,39 5.167,40 3.778,41 4.061,42 5.64,43 3.925,44 4.849,45 5.123,46 3.71,47 4.003,48 5.6,49 3.856,50 4.79,51 5.082,52 3.521,53 3.885,54 5.505,55 3.726,56 0.068,57 0.931,58 12.701,59 4.736,60 10.972,61 6.948,62 0.266,63 1.494,64 24.037,65 7.647,66 19.727,67 11.664,68 0.309,69 1.722,70 31.5,71 11.114,72 24.313,73 16.608,74 0.221,75 1.764,76 35.109,77 12.924,78 25.705,79 19.412,80 0.337,81 1.696,82 36.536,83 12.027,84 30.786,85 18.646,86 0.312,87 1.533,88 30.696,89 10.239,90 25.593,91 15.676,92 0.255,93 1.458,94 29.275,95 10.109,96 24.727,97 15.406,98 0.301,99 1.329,100 28.23,101 8.904,102 25.479,103 13.899,105 46,106 0.229,107 0.576,108 0.751,109 0.827,110 0.85,111 0.85,112 3.44,113 0.939,114 -3.96,115 -3.92,116 -3.71,119 40.4,121 2,125 6,140 6,141 2,142 1,143 1,144 1,149 1,150 1,158 2,164 1,169 7,171 2,172 5,176 3,178 6,181 2,182 5,186 3,189 5,193 7,197 1,199 3,203 8,206 1,211 2,214 1,215 6,218 1,222 1,226 5,229 2,236 1,237 6,244 1,249 2,252 1,256 2,259 1518,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 24.198,267 12.752,268 21.602,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.28,275 28.599,276 6.123,277 17.687,278 4.422,279 2.287,280 1.206,281 0.737,282 0.596,283 0.596,284 4.156,288 1,289 1,290 956,291 2.828,294 156.712,295 299.286,298 132.918,302 2.209,303 12.139,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 424,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.06,327 6.095,328 3.69,329 2.754,330 3.731,331 0.8,332 8.884,333 2.578,334 3.941,335 2.884,336 5.616,337 3.659,338 2.724,339 3.457,340 0.172,341 7.788,342 2.55,343 3.608,344 2.754,345 5.332,346 3.415,347 2.473,348 2.813,350 6.951,351 2.325,352 3.43,353 2.344,354 5.129,355 3.059,356 2.109,357 2.638,359 6.017,360 2.018,361 3.251,362 2.178,363 4.953,364 2.961,365 2.007,366 2.588,368 5.851,369 1.893,370 3.172,371 1.795,372 4.514,373 2.73,374 1.776,375 2.243,377 4.655,378 1.69,379 2.828,380 1.524,381 4.133,382 2.415,383 1.429,384 1.933,386 3.482,387 1.408,388 2.74,389 1.365,390 3.598,391 2.304,392 1.321,393 1.843,395 3.046,396 1.296,397 2.5,398 1.159,399 3.464,400 2.084,401 1.12,402 1.5,404 2.526,405 1.077,406 2.426,407 1.146,408 3.414,409 1.967,410 1,411 1.4,413 2.275,414 0.965,415 2.256,416 1,417 3.316,418 1.958,419 1,420 1.196,422 2.136,423 0.956,424 2.118,425 0.933,426 3.247,427 1.86,428 0.895,429 1,431 2.097,432 0.861,433 2,434 0.674,435 3.176,436 1.562,437 0.618,438 0.927,440 1.469,441 0.578,442 1.986,443 0.618,444 3,445 1.518,446 0.605,447 0.823,449 1.372,450 0.556,451 14.3,452 0.477,453 0.496,454 0.017,455 38.75,456 1.292,457 18,458 0.6,459 20.75,460 0.692,461 24.765,462 0.826,463 31.9,464 0.56,465 25.777,466 0.859,467 7.655,468 0.255,469 7.193,470 0.24,473 0.259,479 0.893,480 1.504,481 0.82,482 1.167,483 0.624,484 1.015,485 1.348,486 1.074,487 1.024,488 0.93,489 0.858,490 0.936,491 1.007,492 0.961,493 1.097,494 1.055,495 0.829,496 1.082,497 0.705,498 1.109,499 1.004,500 1.173,501 0.701,502 1.133,503 0.864,504 0.893,505 0.889,506 0.9,507 0.864,508 0.898,509 0.947,510 0.931,511 0.992,512 0.975,513 0.904,514 0.987,515 0.772,516 1.078,517 0.979,518 1.11,519 0.785,520 1.077,521 1.109,522 0.902,523 1.07,524 0.964,525 1.203,526 1.004,527 4.5,528 0.095,529 2.667,530 1.069,531 0.997,532 0.597,533 0.483,534 0.242,535 0.139,536 0.124,537 15246,538 34758,539 2.228,540 47.4,541 2,542 18,543 1,544 3,545 1,547 2,550 1.72,551 2.195,552 3.767,553 -0.349,555 1,559 80.399,560 1.411,561 3.546,562 4.627,563 5.096,564 5.236,565 5.236,566 3.248,567 4.374,568 4.879,569 3.964,570 1724.35,571 8.465,572 25725.5,574 1,577 332.475,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.025,584 0.027,585 0.017,586 0.014,587 0.008,588 0.006,589 0.005,590 0.297,591 0.33,592 0.88,594 158.756,595 0.107,596 -0.271,597 0.094,598 -0.111,599 0.251,600 -0.027,601 -0.132,602 0.081,603 -0.057,604 0.047,605 0.021,606 0.011,607 -0.09,608 0.065,609 -0.138,610 -0.044,611 -0.03,612 -0.088,613 0.012,614 -0.179,615 -0.047,616 -0.141,617 0.052,618 -0.108,619 0.03,620 0.002,621 0.108,622 0.079,623 0.043,624 0.099,626 0.026,627 -0.008,628 0.008,629 -0.014,630 0.001,631 0.093,632 -0.139,633 -0.002,634 -0.112,635 0.049,636 -0.076,637 -0.099,638 0.028,639 -0.07,640 -0.005,641 -0.2,642 -0.029,643 0.572,644 1.451,645 0.867,646 34.88,647 0.992,648 1.134,649 2.733,650 7.47,651 0.661,652 3.555,653 3.85,654 4.127,655 4.382,656 4.554,657 4.615,658 4.762,659 4.89,660 4.927,661 4.97,662 8.274,663 0.621,664 401.57,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.378,672 10.248,673 11.117,674 11.99,675 12.3,678 2,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 57,716 21,717 1,718 34,720 61,721 23,722 15,723 3,724 3,730 5,731 6,743 2,745 15,746 8,761 1,764 27,765 5,766 1,767 7,773 7,777 0.8,786 1,788 1,792 2,793 3,796 1,815 2,819 4,827 30,833 8,838 2,844 1,854 13.667,855 10.033,856 6.583,857 3.539,858 3.588,859 1.445,860 1.027,861 5.777,862 11.66,863 3.818,864 4.394,865 4.989,866 5.577,867 6.013,868 6.337,869 6.786,870 7.212,871 7.398,872 7.614,873 1,874 42,875 11.065,877 4.644,878 7.428,879 21.962,881 18.372,883 1.928,884 57.833,887 1,888 306.049,889 123.309,890 75.045,895 123.309,896 306.049,897 75.045,899 17.703,900 65.905,901 102.662,902 45.253,903 13.915,904 258.964,906 306.049,907 198.354,911 282.506,912 23.542,915 71.678,916 76.564,917 50.112,919 306.049,920 75.045,921 123.309,924 306.049,925 31.119,926 100.337,927 16.786,928 50.112,929 306.049,930 75.045,931 123.309,933 0.571,934 0.332,935 0.182,936 0.093,937 23,938 8,939 0.115,940 7,941 1,942 1.077,943 4.495,944 260.457,945 0.077,946 26,947 139.207,951 19.286,952 8.986,953 4.581,954 2.478,955 56.36,956 20.122,957 12.273,958 3.411,961 3.641,962 1.945,963 16.786,964 504.402,965 44.5,975 56.549,976 64.64,977 0.242,978 0.608,979 0.793,980 0.874,981 0.898,982 0.898,983 5.032,984 1.429,985 5.872,986 4.655,987 4.533,988 5.081,989 1.242,990 6.632,991 4.441,992 6.2,993 1.321,994 7.388,995 3.482,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.745,1001 7.478,1002 1.12,1003 9.004,1004 3.046,1005 6.071,1006 7.251,1007 0.883,1008 10.5,1009 5.892,1010 8.794,1011 1,1012 10.682,1013 2.526,1014 6.33,1015 7.822,1016 0.581,1017 12.163,1018 6.105,1019 10.149,1020 1,1021 12.402,1022 2.275,1023 7.884,1024 9.764,1025 0.68,1026 14.735,1027 7.632,1028 11.531,1029 0.895,1030 14.151,1031 2.136,1032 8.569,1033 10.807,1034 0.515,1035 16.77,1036 8.286,1037 12.935,1038 0.618,1039 15.922,1040 2.097,1041 9.86,1042 12.487,1043 0.541,1044 19.17,1045 9.553,1046 3.118,1047 0.605,1048 17.71,1049 1.469,1050 10.757,1051 13.766,1052 0.441,1053 21.369,1054 10.431,1055 2.754,1056 10.431,1057 19.51,1058 1.372,1059 11.935,1060 15.335,1061 0.438,1062 23.714,1063 11.59,1064 2.724,1065 8.884,1066 21.321,1067 4.518,1068 12.939,1069 16.729,1070 0.373,1071 25.985,1072 12.581,1073 2.473,1074 7.788,1075 23.141,1076 3.731,1077 14.072,1078 18.253,1079 0.358,1080 28.316,1081 13.698,1082 2.109,1083 6.951,1084 24.968,1085 3.457,1086 15.129,1087 19.703,1088 0.314,1089 30.62,1090 14.746,1091 2.007,1092 6.017,1093 26.802,1094 2.813,1095 16.246,1096 21.211,1097 0.296,1098 32.95,1099 15.85,1100 1.776,1101 5.851,1102 28.641,1103 2.638,1104 17.332,1105 22.689,1106 0.264,1107 35.27,1108 16.928,1109 13806,1110 21017,1111 24.038,1112 37.654,1113 50.69,1114 50.101,1115 50.24,1116 50.309,1117 50.305,1118 65.67,1119 3.778,1120 138.967,1121 48.018,1122 5.568,1123 5.197,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1132 1.491,1133 1.474,1134 1.478,1135 1.48,1136 1.48,1137 1.931,1138 0.111,1139 4.087,1140 1.412,1141 4.153,1142 4.192,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.925,1148 3.985,1149 3.845,1150 3.788,1151 4.929,1152 3.795,1153 3.832,1154 3.906,1155 3.789,1156 3.629,1157 4.886,1158 3.644,1159 3.78,1160 3.843,1161 3.678,1162 3.57,1163 4.367,1164 3.602,1165 3.518,1166 3.59,1167 3.375,1168 3.363,1169 4.255,1170 3.361,1171 3.291,1172 3.359,1173 3.186,1174 3.124,1175 3.991,1176 3.129,1177 3.148,1178 3.232,1179 2.995,1180 2.974,1181 3.841,1182 2.966,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.781,1188 2.91,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.568,1195 0.133,1196 3.197,1197 0.027,1198 6.566,1199 0.307,1200 4.099,1201 0.09,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.055,1210 2.063,1211 1.364,1212 2.064,1213 1.871,1214 1.823,1215 2.02,1216 2.043,1217 1.251,1218 2.039,1219 1.769,1220 1.707,1221 1.942,1222 1.938,1223 1.114,1224 1.943,1225 1.636,1226 1.576,1227 1.843,1228 1.814,1229 1.001,1230 1.827,1231 1.406,1232 1.334,1233 1.585,1234 1.664,1235 0.825,1236 1.642,1237 1.321,1238 1.253,1239 1.513,1240 1.529,1241 0.739,1242 1.531,1243 1.153,1244 1.064,1245 1.491,1246 1.442,1247 0.621,1248 1.429,1249 1.133,1250 1.059,1251 1.416,1252 1.376,1253 0.578,1254 1.379,1255 4.234,1257 5.533,1258 3.045,1259 7.02,1260 5.283,1261 8.591,1262 7.286,1263 10.206,1271 8.868,1276 5.095,1280 35.418,1281 80.399,1282 202.136,1283 263.746,1284 290.475,1285 298.475,1286 298.475,1287 33.251,1288 8.072,1289 65.87,1290 65.87,1291 28,1292 12.532,1293 4.459,1294 3.524,1295 42.015,1296 152,1297 142,1298 0.132,1299 215.641,1300 354.3,1301 517.924,1302 43698,1304 20.175,1305 0.673,1306 0.57,1307 20.175,1308 17.114,1309 14.848,1310 0.437,1311 0.313,1312 10.494,1313 14.262,1314 10.302,1315 8.498,1316 14.848,1317 10.647,1318 12.936,1319 0.281,1320 0.173,1321 12.936,1322 7.955,1323 11.214,1324 0.184,1325 0.098,1326 11.214,1327 5.965,1328 9.414,1329 0.119,1330 0.054,1331 9.414,1332 4.253,1333 7.272,1334 0.077,1335 0.032,1336 7.272,1337 2.966,1338 0.217,1339 92.799,1340 0.204,1341 29.237,1342 0.337,1343 160,1344 392.204,1345 172.905,1346 388.019,1347 547.31,1348 368,1349 187,1350 417.941,1351 201.876,1352 425.191,1353 615.28,1354 400,1355 9.461} {0 CHEMBL163639,1 1.511,2 13.097,3 4.707,4 22.156,5 127.813,6 7.261,7 0.457,8 4.186,9 4.301,10 3.882,11 3.794,12 5.107,13 3.73,14 4.783,15 4.958,16 4.202,17 4.23,18 5.854,19 4.14,20 5.057,21 5.273,22 4.227,23 4.389,24 5.962,25 4.244,26 5.134,27 5.36,28 4.114,29 4.341,30 6.152,31 4.2,32 5.065,33 5.316,34 3.966,35 4.25,36 5.985,37 4.108,38 4.945,39 5.194,40 3.945,41 4.22,42 5.737,43 4.068,44 4.926,45 5.165,46 3.915,47 4.186,48 5.774,49 4.028,50 4.898,51 5.163,52 3.766,53 4.06,54 5.753,55 3.891,56 0.102,57 0.895,58 16.348,59 6.141,60 13.082,61 7.944,62 0.381,63 1.53,64 27.523,65 10.447,66 49.141,67 13.956,68 0.242,69 1.909,70 42.154,71 15.625,72 34.739,73 19.849,74 0.421,75 1.91,76 44.593,77 15.911,78 77.413,79 20.194,80 0.393,81 1.767,82 38.392,83 14.238,84 62.207,85 19.272,86 0.206,87 1.645,88 32.811,89 13.024,90 30.7,91 18.113,92 0.201,93 1.643,94 33.617,95 12.734,96 33.252,97 17.37,98 0.308,99 1.521,100 33.46,101 12.139,102 42.634,103 16.514,104 5,105 50,106 0.243,107 0.557,108 0.738,109 0.834,110 0.841,111 0.841,112 3.472,113 1.082,114 -4.21,115 -4.16,116 -3.93,119 41.7,121 4,125 5,134 1,135 1,140 8,141 3,142 1,149 1,150 1,169 14,171 3,172 5,176 3,178 15,182 8,186 3,189 13,193 12,197 1,199 10,203 8,206 1,208 1,211 10,215 6,220 2,222 10,226 7,231 2,233 8,237 7,240 1,244 11,249 2,256 13,259 1644,260 21.272,261 21.272,262 21.272,263 21.272,264 21.272,265 18.93,266 19.906,267 12.49,268 21.648,269 17.284,270 17.284,271 17.284,272 17.284,273 17.284,274 13.668,275 19.385,276 5.913,277 17.905,278 4.396,279 2.438,280 1.313,281 0.713,282 0.667,283 0.667,284 4.181,288 1,289 1,290 904,291 3.464,294 167.726,295 296.585,298 135.936,302 2.106,303 28.052,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 406,316 4.931,317 4.726,318 7.666,319 4.433,320 3.511,321 4.756,322 0.8,323 13.61,324 3.216,325 4.568,326 3.199,327 6.566,328 4.106,329 3.117,330 4.515,331 0.657,332 10.433,333 3.082,334 4.102,335 2.976,336 6.098,337 3.736,338 2.745,339 3.55,341 8.891,342 2.72,343 3.609,344 2.831,345 5.57,346 3.464,347 2.534,348 3.09,350 7.027,351 2.357,352 3.558,353 2.514,354 5.368,355 3.191,356 2.221,357 2.75,359 6.596,360 2.152,361 3.364,362 2.151,363 5.106,364 2.976,365 1.988,366 2.507,368 5.941,369 1.963,370 3.169,371 1.904,372 4.537,373 2.748,374 1.775,375 2.362,377 4.668,378 1.72,379 2.82,380 1.611,381 4.272,382 2.382,383 1.415,384 1.912,386 3.873,387 1.362,388 2.697,389 1.401,390 4.091,391 2.319,392 1.333,393 1.769,395 3.326,396 1.311,397 2.56,398 1.396,399 3.546,400 2.16,401 1.179,402 1.5,404 2.743,405 1.154,406 2.5,407 1.239,408 3.519,409 2.039,410 1.053,411 1.498,413 2.601,414 1.036,415 2.343,416 1.121,417 3.414,418 2,419 1,420 1.323,422 2.275,423 1,424 2.136,425 1,426 3.261,427 1.984,428 1,429 1.048,431 2.136,432 0.983,433 2.05,434 0.846,435 3.247,436 1.72,437 0.761,438 0.986,440 1.796,441 0.728,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.2,452 0.49,453 0.735,454 0.024,455 38.25,456 1.234,457 18.5,458 0.597,459 19.75,460 0.637,461 28.181,462 0.909,463 33.4,464 0.557,465 28.323,466 0.914,467 7.084,468 0.229,469 8.025,470 0.259,471 0.044,472 0.055,473 0.25,479 0.542,480 1.344,481 0.856,482 1.196,483 0.614,484 0.989,485 0.778,486 1.038,487 0.895,488 0.906,489 0.528,490 0.951,491 0.89,492 1.115,493 1.228,494 1.21,495 0.705,496 1.069,497 1.533,498 1.044,499 1.189,500 1.09,501 1.697,502 1.048,503 1.198,504 0.894,505 0.862,506 0.849,507 1.327,508 0.935,509 0.619,510 1.007,511 0.78,512 0.905,513 0.525,514 0.987,515 0.72,516 1.155,517 1.009,518 1.107,519 0.495,520 1.126,521 0.983,522 0.922,523 0.921,524 0.917,525 0.914,526 0.984,527 6,528 0.171,529 4.444,530 2.139,531 1.169,532 1,533 0.664,534 0.359,535 0.285,536 0.234,537 14807,538 32533,539 2.172,540 48.3,542 19,543 1,545 1,547 8,550 1.733,551 2.078,552 3.654,553 -0.393,559 90.681,560 1.511,561 3.469,562 4.594,563 5.194,564 5.24,565 5.24,566 3.139,567 4.26,568 4.923,569 3.847,570 1788.92,571 8.583,572 25945.4,574 1,577 354.413,578 1.327,579 4.9,580 0.171,581 0.006,582 0.089,583 0.044,584 0.027,585 0.025,586 0.017,587 0.01,588 0.009,589 0.008,590 0.406,591 0.33,592 0.88,593 0.415,594 162.806,595 0.15,596 -0.154,597 0.22,598 -0.059,599 -0.105,600 0.031,601 0.207,602 0.093,603 0.05,604 0.073,605 0.24,606 0.01,607 -0.029,608 -0.064,609 -0.071,610 -0.099,611 0.074,612 -0.058,613 -0.165,614 -0.073,615 -0.133,616 -0.076,617 -0.094,618 -0.075,619 -0.084,620 0.04,621 -0.004,622 0.051,623 -0.096,624 0.032,625 0.004,626 -0.04,627 0.047,628 0.016,629 -0.016,630 0.008,631 -0.024,632 -0.146,633 -0.084,634 -0.142,635 0.039,636 -0.138,637 -0.036,638 0.037,639 -0.001,640 0.011,641 -0.012,642 -0.012,643 4.353,644 5.885,645 0.839,646 35.068,647 0.992,648 1.121,649 2.985,650 8.91,651 0.675,652 3.584,653 3.932,654 4.234,655 4.466,656 4.635,657 4.754,658 4.949,659 5.056,660 5.17,661 5.342,662 7.627,663 0.625,664 435.64,665 3.584,666 5.142,667 6.009,668 6.895,669 7.776,670 8.667,671 9.554,672 10.448,673 11.338,674 12.234,675 5,678 2,683 1,687 2,688 9,690 1,693 3,695 16,714 60,716 19,717 2,718 35,720 64,721 25,722 14,723 4,724 8,725 2,730 5,731 6,740 3,743 4,745 16,746 9,750 3,753 1,755 2,757 1,759 1,764 29,765 4,766 1,767 6,768 1,773 3,777 0.8,778 2,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,827 31,830 1,833 9,838 2,847 3.3,850 2,854 14.917,855 10.483,856 6.667,857 3.853,858 3.313,859 1.405,860 1.038,861 5.81,862 11.492,863 3.85,864 4.474,865 5.046,866 5.583,867 6.069,868 6.398,869 6.844,870 7.156,871 7.351,872 7.727,873 0.889,874 49,875 11.764,877 5.32,878 7.594,879 22.914,881 20.018,883 2.094,884 64.917,887 1,888 329.591,889 136.632,890 21.428,892 44.313,894 5.807,895 130.825,896 373.904,897 21.428,899 20.667,900 100.141,901 44.313,902 35.109,903 13.915,904 317.82,906 329.591,907 152.253,908 44.313,909 5.807,911 235.422,912 138.482,915 42.095,916 100.682,917 15.284,919 329.591,920 65.741,921 136.632,923 5.807,924 329.591,925 36.491,926 98.977,927 16.786,928 44.313,929 329.591,930 65.741,931 136.632,933 0.588,934 0.351,935 0.183,936 0.088,937 26,938 10,939 0.094,940 6,941 1,942 1.077,943 4.363,944 285.495,945 0.077,946 26,947 143.58,950 1,951 20.657,952 8.719,953 4.262,954 2.46,955 48.956,956 17.428,958 3.413,961 2.933,963 16.786,964 531.965,965 46,968 -3.437,970 25.769,972 2.071,974 1.23,975 59.523,976 67.231,977 0.256,978 0.587,979 0.778,980 0.879,981 0.887,982 0.887,983 5.106,984 1.415,985 6.014,986 4.668,987 4.615,988 5.162,989 1.038,990 6.876,991 4.544,992 6.328,993 1.333,994 7.611,995 3.873,996 4.29,997 5.182,998 0.325,999 8.1,1000 4.134,1001 7.675,1002 1.179,1003 9.331,1004 3.326,1005 6.293,1006 7.478,1007 0.607,1008 11.186,1009 6.128,1010 9.071,1011 1.053,1012 11.131,1013 2.743,1014 6.868,1015 8.401,1016 0.268,1017 13.311,1018 6.601,1019 10.51,1020 1,1021 12.986,1022 2.601,1023 8.338,1024 10.197,1025 0.359,1026 16.008,1027 8.051,1028 11.981,1029 1,1030 14.88,1031 2.275,1032 9.293,1033 11.487,1034 0.188,1035 18.443,1036 8.904,1037 13.476,1038 0.761,1039 16.804,1040 2.136,1041 10.586,1042 13.116,1043 0.214,1044 21.056,1045 10.155,1046 3.511,1047 0.618,1048 18.75,1049 1.796,1050 11.701,1051 14.554,1052 0.125,1053 23.598,1054 11.174,1055 3.117,1056 13.61,1057 20.713,1058 1.372,1059 12.941,1060 16.125,1061 0.129,1062 26.197,1063 12.353,1064 2.745,1065 10.433,1066 22.69,1067 4.756,1068 14.123,1069 17.623,1070 0.082,1071 28.778,1072 13.443,1073 2.534,1074 8.891,1075 24.678,1076 4.515,1077 15.351,1078 19.174,1079 0.079,1080 31.378,1081 14.598,1082 2.221,1083 7.027,1084 26.675,1085 3.55,1086 16.563,1087 20.697,1088 0.054,1089 33.975,1090 15.72,1091 1.988,1092 6.596,1093 28.678,1094 3.09,1095 17.794,1096 22.242,1097 0.048,1098 36.579,1099 16.868,1100 1.775,1101 5.941,1102 30.688,1103 2.75,1104 19.02,1105 23.777,1106 0.035,1107 39.182,1108 18.004,1109 13593,1110 20389,1111 24.038,1112 40.472,1113 53.033,1114 53.759,1115 52.956,1116 53.255,1117 53.19,1118 69.172,1119 2.915,1120 156.239,1121 51.443,1122 5.881,1123 6.726,1124 7.468,1125 5.477,1126 5.511,1127 7.756,1128 1.457,1129 21.57,1130 5.216,1131 10.166,1132 1.515,1133 1.536,1134 1.513,1135 1.522,1136 1.52,1137 1.976,1138 0.083,1139 4.464,1140 1.47,1141 4.163,1142 4.189,1143 4.742,1144 4.107,1145 7.715,1146 4.085,1147 4.07,1148 4.06,1149 4.1,1150 4.035,1151 6.999,1152 3.971,1153 3.847,1154 3.917,1155 3.727,1156 3.709,1157 4.966,1158 3.705,1159 3.785,1160 3.832,1161 3.692,1162 3.665,1163 4.716,1164 3.662,1165 3.565,1166 3.565,1167 3.632,1168 3.498,1169 4.47,1170 3.437,1171 3.396,1172 3.438,1173 3.283,1174 3.292,1175 4.337,1176 3.262,1177 3.213,1178 3.284,1179 3.068,1180 3.027,1181 4.134,1182 3.021,1183 3.035,1184 3.126,1185 2.808,1186 2.873,1187 3.84,1188 2.845,1189 0.141,1190 0.135,1191 0.219,1192 0.127,1193 0.1,1194 4.931,1195 0.136,1196 4.726,1197 0.023,1198 7.666,1199 0.389,1200 4.433,1201 0.092,1202 3.511,1203 4.756,1204 0.8,1205 13.61,1206 3.216,1207 2.011,1208 2.002,1209 2.088,1210 2.093,1211 1.356,1212 2.118,1213 1.947,1214 1.942,1215 1.996,1216 2.01,1217 1.249,1218 2.033,1219 1.743,1220 1.701,1221 1.915,1222 1.887,1223 1.211,1224 1.901,1225 1.667,1226 1.608,1227 1.86,1228 1.861,1229 1.138,1230 1.865,1231 1.577,1232 1.507,1233 1.847,1234 1.751,1235 1.052,1236 1.793,1237 1.428,1238 1.397,1239 1.639,1240 1.659,1241 0.873,1242 1.659,1243 1.361,1244 1.349,1245 1.435,1246 1.491,1247 0.703,1248 1.537,1249 1.11,1250 1.034,1251 1.404,1252 1.337,1253 0.584,1254 1.374,1255 4.263,1257 5.602,1258 3.045,1259 7.138,1260 5.283,1261 8.759,1262 7.273,1263 10.426,1271 8.927,1276 4.121,1280 37.529,1281 90.681,1282 208.136,1283 275.659,1284 311.659,1285 314.413,1286 314.413,1287 53.048,1288 8.18,1289 56.41,1290 64.79,1291 28,1292 12.76,1293 4.322,1294 3.585,1295 43.835,1296 142,1297 131,1298 0.149,1299 229.699,1300 394.53,1301 552.226,1302 45421,1304 21.261,1305 0.686,1306 0.599,1307 21.511,1308 18.573,1309 15.109,1310 0.432,1311 0.361,1312 11.203,1313 13.948,1314 10.856,1315 8.925,1316 15.898,1317 12.621,1318 13.83,1319 0.277,1320 0.209,1321 15.149,1322 10.466,1323 12.171,1324 0.179,1325 0.125,1326 13.512,1327 8.466,1328 9.93,1329 0.115,1330 0.071,1331 11.026,1332 6.144,1333 7.435,1334 0.073,1335 0.04,1336 8.327,1337 4.084,1338 0.238,1339 101.162,1340 0.204,1341 29.494,1342 0.396,1343 170,1344 411.955,1345 220.412,1346 425.444,1347 591.78,1348 396,1349 203,1350 415.118,1351 262.004,1352 460.902,1353 678.39,1354 435,1355 7.678} {0 CHEMBL164035,1 1.462,2 14.429,3 3.17,4 10.046,5 141.071,6 6.936,7 0.538,8 4.31,9 4.451,10 3.832,11 3.813,12 5.332,13 3.785,14 4.877,15 5.086,16 4.169,17 4.232,18 5.792,19 4.18,20 5.123,21 5.346,22 4.208,23 4.419,24 6.012,25 4.315,26 5.286,27 5.536,28 4.216,29 4.475,30 6.152,31 4.349,32 5.332,33 5.6,34 4.219,35 4.464,36 6.189,37 4.343,38 5.295,39 5.548,40 4.133,41 4.466,42 6.148,43 4.321,44 5.334,45 5.636,46 3.956,47 4.391,48 6.033,49 4.197,50 5.171,51 5.492,52 3.719,53 4.165,54 5.85,55 3.977,56 0.07,57 1.074,58 15.356,59 5.786,60 12.702,61 8.473,62 0.369,63 1.723,64 29.124,65 9.253,66 24.815,67 14.148,68 0.372,69 2.036,70 37.448,71 13.669,72 36.592,73 20.007,74 0.36,75 2.223,76 45.264,77 16.039,78 54.894,79 23.668,80 0.523,81 2.287,82 48.425,83 15.496,84 59.208,85 23.508,86 0.515,87 2.248,88 45.872,89 15.824,90 57.056,91 23.559,92 0.405,93 2.185,94 48.731,95 16.922,96 47.71,97 25.931,98 0.484,99 1.797,100 42.467,101 13.111,102 46.577,103 20.673,104 12,105 54,106 0.229,107 0.548,108 0.724,109 0.796,110 0.821,111 0.821,112 3.588,113 0.944,114 -4.37,115 -4.3,116 -4.06,119 39.7,121 2,124 2,125 5,127 1,140 8,141 3,142 1,149 1,150 1,156 1,158 2,164 1,169 11,171 3,172 4,176 3,178 11,181 3,182 7,186 3,189 8,193 12,197 1,199 3,203 13,206 1,211 2,214 2,215 9,218 1,222 1,226 6,229 2,233 1,236 1,237 7,244 3,249 3,252 1,256 5,259 2199,260 24.051,261 24.051,262 24.051,263 24.051,264 24.051,265 21.531,266 27.652,267 14.293,268 24.586,269 19.254,270 19.254,271 19.254,272 19.254,273 19.254,274 15.461,275 30.59,276 6.765,277 20.082,278 4.625,279 2.587,280 1.463,281 1.004,282 0.846,283 0.846,284 4.295,289 1,290 1113,291 4,294 194.475,295 366.029,298 166.738,302 2.163,303 20.567,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.5,315 505,316 4.568,317 3.928,318 6.818,319 4.13,320 3.16,321 4.518,322 2.108,323 11.188,324 3.066,325 4.319,326 3.197,327 6.566,328 4.099,329 3.118,330 3.731,331 0.985,332 10.431,333 3.062,334 4.129,335 3.064,336 6.095,337 3.689,338 2.753,339 3.671,340 0.8,341 8.884,342 2.578,343 3.702,344 2.885,345 5.582,346 3.483,347 2.554,348 3.045,349 0.565,350 7.19,351 2.368,352 3.592,353 2.789,354 5.402,355 3.34,356 2.367,357 2.813,358 0.217,359 6.76,360 2.303,361 3.429,362 2.344,363 5.146,364 3.065,365 2.112,366 2.613,368 6.119,369 2.022,370 3.252,371 2.179,372 5.111,373 2.973,374 2.012,375 2.583,377 5.981,378 1.913,379 3.195,380 1.979,381 4.514,382 2.73,383 1.776,384 2.262,386 4.655,387 1.69,388 2.835,389 1.795,390 4.138,391 2.482,392 1.502,393 1.933,395 3.5,396 1.47,397 2.74,398 1.602,399 4.106,400 2.304,401 1.321,402 1.843,404 3.391,405 1.298,406 2.5,407 1.365,408 3.519,409 2.103,410 1.132,411 1.5,413 2.583,414 1.095,415 2.43,416 1.163,417 3.464,418 2.011,419 1.028,420 1.405,422 2.403,423 1.002,424 2.331,425 1.146,426 3.414,427 2,428 1,429 1.26,431 2.275,432 1,433 2.242,434 1,435 3.316,436 1.967,437 1,438 1.159,440 2.136,441 0.965,442 2.118,443 0.948,444 3.247,445 1.856,446 0.89,447 1,449 2.088,450 0.858,451 16.633,452 0.475,453 0.747,454 0.021,455 43.25,456 1.236,457 19.5,458 0.557,459 23.75,460 0.679,461 32.739,462 0.935,463 37.967,464 0.558,465 33.797,466 0.966,467 8.702,468 0.249,469 8.395,470 0.24,471 0.08,473 0.307,479 0.793,480 1.539,481 0.839,482 1.206,483 0.55,484 1.052,485 1.126,486 0.98,487 0.975,488 0.853,489 0.633,490 0.874,491 0.907,492 1.046,493 1.055,494 1.118,495 0.87,496 1.107,497 1.075,498 1.122,499 1,500 1.114,501 1.372,502 1.07,503 1.264,504 0.941,505 1,506 0.925,507 1.384,508 0.934,509 1.07,510 1.055,511 1.154,512 1.141,513 1.259,514 1.163,515 0.586,516 1.015,517 0.931,518 1.072,519 0.513,520 1.048,521 0.948,522 0.765,523 0.951,524 0.816,525 0.786,526 0.868,527 5.5,528 0.141,529 4,530 2.069,531 1.717,532 1.111,533 0.808,534 0.447,535 0.188,536 0.164,537 21103,538 49382,539 2.141,540 48.5,541 2,542 25,543 1,544 2,545 1,547 2,550 1.762,551 2.039,552 3.752,553 -0.373,559 99.449,560 1.462,561 3.501,562 4.624,563 5.084,564 5.242,565 5.242,566 3.185,567 4.729,568 5.105,569 4.001,570 2380.51,571 8.931,572 39359.2,577 413.947,578 1.271,579 5.076,580 0.141,581 0.005,582 0.074,583 0.038,584 0.032,585 0.021,586 0.017,587 0.012,588 0.006,589 0.006,590 0.353,591 0.17,592 0.75,593 0.743,594 192.922,595 0.071,596 -0.281,597 0.085,598 -0.116,599 0.054,600 -0.033,601 -0.047,602 0.191,603 0.003,604 0.135,605 0.012,606 0.088,607 0.01,608 0.015,609 -0.099,610 -0.079,611 0.037,612 -0.097,613 -0.054,614 -0.159,615 -0.024,616 -0.089,617 -0.035,618 -0.061,619 -0.106,620 0.019,621 0.003,622 0.047,623 -0.056,624 0.04,625 -0.056,626 -0.07,627 -0.176,628 -0.137,629 -0.109,630 -0.17,631 0.092,632 -0.128,633 0.04,634 -0.08,635 0.035,636 -0.037,637 -0.051,638 0.113,639 0.054,640 0.12,641 -0.047,642 0.105,643 1.542,644 5.993,645 0.743,646 39.662,647 0.993,648 1.134,649 3.141,650 9.867,651 0.653,652 3.689,653 4.007,654 4.304,655 4.564,656 4.745,657 4.812,658 4.963,659 5.069,660 5.05,661 5.05,662 8.699,663 0.613,664 471.67,665 3.689,666 5.231,667 6.089,668 6.965,669 7.84,670 8.721,671 9.602,672 10.486,673 11.369,674 12.254,675 10.3,678 2,682 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 22,717 2,718 39,720 72,721 27,722 16,723 4,724 8,730 5,731 6,743 3,745 17,746 10,750 1,755 1,759 1,764 33,765 6,766 1,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,806 1,815 2,819 4,823 2,827 35,833 7,837 1,838 3,844 1,847 1.5,850 1,854 17.167,855 12.617,856 7.694,857 4.116,858 3.475,859 1.419,860 0.997,861 7.282,862 11.772,863 3.942,864 4.511,865 5.098,866 5.669,867 6.102,868 6.427,869 6.872,870 7.274,871 7.426,872 7.622,873 1,874 54,875 12.959,877 5.458,878 7.538,879 25.415,881 21.149,883 2.038,884 71.333,888 376.675,889 153.035,890 61.384,892 25.145,895 153.035,896 401.82,897 61.384,898 16.793,899 18.722,900 84.857,901 103.955,902 36.634,903 13.915,904 341.362,906 376.675,907 214.418,908 25.145,911 353.133,912 48.687,915 60.892,916 120.2,917 33.326,919 376.675,920 86.529,921 153.035,924 376.675,925 34.147,926 130.159,927 16.786,928 58.471,929 376.675,930 86.529,931 153.035,933 0.579,934 0.344,935 0.188,936 0.099,937 26,938 11,939 0.111,940 8,941 1,942 1.077,943 4.693,944 328.304,945 0.077,946 26,947 165.525,951 23.741,952 10.735,953 5.326,954 2.414,955 67.844,956 22.141,957 7.833,958 3.406,961 3.485,962 1.93,963 16.786,964 616.238,965 50.5,970 12.993,974 0.148,975 67.527,976 77.095,977 0.24,978 0.575,979 0.76,980 0.835,981 0.861,982 0.861,983 5.178,984 1.776,985 6.061,986 5.981,987 4.691,988 5.198,989 2.453,990 6.872,991 4.614,992 6.358,993 1.502,994 7.618,995 4.655,996 4.205,997 4.879,998 1.971,999 7.791,1000 4.081,1001 7.648,1002 1.321,1003 9.28,1004 3.5,1005 6.279,1006 7.354,1007 3.356,1008 10.911,1009 6.128,1010 8.977,1011 1.132,1012 11.005,1013 3.391,1014 6.673,1015 7.965,1016 3.544,1017 12.708,1018 6.485,1019 10.343,1020 1.028,1021 12.773,1022 2.583,1023 8.167,1024 9.853,1025 4.643,1026 15.334,1027 7.955,1028 11.736,1029 1,1030 14.57,1031 2.403,1032 8.958,1033 10.909,1034 5.112,1035 17.479,1036 8.718,1037 13.149,1038 1,1039 16.389,1040 2.275,1041 10.227,1042 12.56,1043 6.05,1044 19.945,1045 9.965,1046 3.16,1047 0.89,1048 18.223,1049 2.136,1050 11.202,1051 13.839,1052 6.652,1053 22.234,1054 10.917,1055 3.118,1056 11.188,1057 20.069,1058 2.088,1059 12.383,1060 15.392,1061 7.501,1062 24.647,1063 12.076,1064 2.753,1065 10.431,1066 21.925,1067 4.518,1068 13.444,1069 16.781,1070 8.171,1071 26.995,1072 13.116,1073 2.554,1074 8.884,1075 23.789,1076 3.731,1077 14.592,1078 18.296,1079 8.972,1080 29.392,1081 14.243,1082 2.367,1083 7.19,1084 25.66,1085 3.671,1086 15.692,1087 19.741,1088 9.678,1089 31.766,1090 15.323,1091 2.112,1092 6.76,1093 27.536,1094 3.045,1095 16.83,1096 21.243,1097 10.453,1098 34.159,1099 16.441,1100 2.012,1101 6.119,1102 29.417,1103 2.813,1104 17.95,1105 22.715,1106 11.177,1107 36.546,1108 17.539,1109 19526,1110 30041,1111 26.641,1112 44.393,1113 59.25,1114 59.205,1115 59.377,1116 58.408,1117 58.357,1118 74.731,1119 9.347,1120 165.967,1121 56.106,1122 5.568,1123 5.928,1124 6.62,1125 5.197,1126 5.16,1127 7.518,1128 3.649,1129 18.177,1130 5.066,1131 14.082,1132 1.519,1133 1.518,1134 1.522,1135 1.498,1136 1.496,1137 1.916,1138 0.24,1139 4.256,1140 1.439,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 7.427,1146 4.07,1147 3.975,1148 4.019,1149 3.905,1150 3.881,1151 5.135,1152 3.88,1153 3.833,1154 3.907,1155 3.789,1156 3.64,1157 4.927,1158 3.651,1159 3.791,1160 3.853,1161 3.686,1162 3.576,1163 4.75,1164 3.611,1165 3.625,1166 3.692,1167 3.524,1168 3.409,1169 4.365,1170 3.426,1171 3.501,1172 3.576,1173 3.356,1174 3.324,1175 4.256,1176 3.328,1177 3.286,1178 3.355,1179 3.174,1180 3.113,1181 4.205,1182 3.117,1183 3.168,1184 3.242,1185 3.01,1186 2.984,1187 3.972,1188 2.978,1189 0.117,1190 0.101,1191 0.175,1192 0.106,1193 0.081,1194 4.568,1195 0.116,1196 3.928,1197 0.054,1198 6.818,1199 0.287,1200 4.13,1201 0.079,1202 3.16,1203 4.518,1204 2.108,1205 11.188,1206 3.066,1207 1.961,1208 1.936,1209 2.069,1210 2.077,1211 1.37,1212 2.076,1213 1.935,1214 1.904,1215 2.041,1216 2.049,1217 1.262,1218 2.046,1219 1.782,1220 1.717,1221 1.973,1222 1.954,1223 1.145,1224 1.966,1225 1.645,1226 1.588,1227 1.85,1228 1.829,1229 1.077,1230 1.838,1231 1.534,1232 1.463,1233 1.787,1234 1.792,1235 0.857,1236 1.796,1237 1.403,1238 1.332,1239 1.581,1240 1.662,1241 0.825,1242 1.64,1243 1.311,1244 1.24,1245 1.513,1246 1.522,1247 0.734,1248 1.524,1249 1.153,1250 1.076,1251 1.485,1252 1.442,1253 0.598,1254 1.429,1255 4.369,1257 5.687,1258 3.045,1259 7.195,1260 5.283,1261 8.79,1262 7.286,1263 10.432,1265 3.684,1271 6.942,1275 -0.209,1276 6.566,1280 41.713,1281 99.449,1282 238.045,1283 314.464,1284 345.683,1285 356.438,1286 356.438,1287 53.504,1288 8.298,1289 73.29,1290 73.29,1291 28,1292 12.787,1293 4.524,1294 3.644,1295 52.569,1296 189,1297 151,1298 0.134,1299 255.079,1300 429.65,1301 614.153,1302 55505,1304 24.2,1305 0.691,1306 0.585,1307 24.2,1308 20.469,1309 17.097,1310 0.438,1311 0.315,1312 12.089,1313 16.411,1314 11.769,1315 9.768,1316 17.097,1317 12.275,1318 15.169,1319 0.281,1320 0.175,1321 15.169,1322 9.44,1323 13.145,1324 0.18,1325 0.095,1326 13.145,1327 6.95,1328 10.833,1329 0.114,1330 0.053,1331 10.833,1332 4.996,1333 8.479,1334 0.074,1335 0.031,1336 8.479,1337 3.544,1338 0.219,1339 107.122,1340 0.194,1341 32.793,1342 0.348,1343 186,1344 471.939,1345 201.481,1346 463.055,1347 643.23,1348 436,1349 220,1350 482.577,1351 238.256,1352 492.665,1353 715.68,1354 461,1355 9.049} {0 CHEMBL164046,1 1.348,2 14.125,3 3.533,4 12.483,5 132.23,6 6.697,7 0.583,8 4.244,9 4.388,10 3.74,11 3.779,12 5.224,13 3.737,14 4.813,15 5.015,16 4.099,17 4.218,18 5.686,19 4.148,20 5.091,21 5.328,22 4.056,23 4.38,24 5.877,25 4.246,26 5.235,27 5.515,28 3.999,29 4.401,30 5.958,31 4.23,32 5.225,33 5.525,34 3.943,35 4.342,36 5.895,37 4.165,38 5.112,39 5.388,40 3.936,41 4.291,42 5.817,43 4.134,44 5.138,45 5.432,46 3.866,47 4.247,48 5.835,49 4.076,50 5.017,51 5.314,52 3.666,53 4.113,54 5.687,55 3.927,56 0.098,57 0.997,58 14.964,59 5.716,60 14.143,61 8.394,62 0.254,63 1.636,64 27.435,65 9.674,66 22.829,67 14.529,68 0.262,69 1.978,70 36.551,71 13.429,72 28.957,73 20.116,74 0.322,75 2.119,76 42.97,77 15.745,78 38.264,79 23.713,80 0.359,81 2.035,82 42.944,83 15.517,84 36.954,85 23.465,86 0.26,87 1.894,88 37.905,89 13.709,90 28.632,91 20.772,92 0.394,93 1.9,94 39.517,95 13.545,96 34.225,97 20.727,98 0.271,99 1.648,100 34.886,101 12.159,102 29.443,103 18.646,104 5,105 51,106 0.214,107 0.554,108 0.749,109 0.838,110 0.845,111 0.845,112 3.502,113 0.964,114 -5.35,115 -5.23,116 -4.89,119 40.6,120 2,121 2,122 1,125 4,129 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 7,178 13,182 3,186 6,189 11,193 6,195 1,197 2,199 11,203 6,206 2,208 1,211 10,215 6,220 1,222 6,225 1,226 5,229 2,231 3,233 5,237 2,242 1,244 6,248 2,249 3,253 1,254 1,256 7,259 1780,260 21.902,261 21.902,262 21.902,263 21.902,264 21.902,265 19.502,266 26.284,267 12.912,268 22.293,269 17.798,270 17.798,271 17.798,272 17.798,273 17.798,274 14.264,275 34.001,276 6.153,277 18.437,278 4.652,279 2.512,280 1.285,281 0.723,282 0.68,283 0.68,284 4.209,289 1,290 1007,291 3.742,294 262.097,295 212.044,298 142.635,302 2.188,303 13.271,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 452,316 4.569,317 3.673,318 7.293,319 4.352,320 3.374,321 4.518,322 0.8,323 12.405,324 3.3,325 4.476,326 3.202,327 6.566,328 4.1,329 3.119,330 3.79,331 0.657,332 10.433,333 3.062,334 4.129,335 2.963,336 6.096,337 3.708,338 2.765,339 3.732,341 8.885,342 2.622,343 3.737,344 2.866,345 5.647,346 3.665,347 2.715,348 2.83,350 7.877,351 2.569,352 3.443,353 2.257,354 5.141,355 3.084,356 2.111,357 2.766,359 6.094,360 2.051,361 3.415,362 2.119,363 4.968,364 3.014,365 2.025,366 2.682,368 5.644,369 2.001,370 3.249,371 1.994,372 4.819,373 2.842,374 1.882,375 2.585,377 5.272,378 1.798,379 2.97,380 1.791,381 4.514,382 2.721,383 1.766,384 1.996,386 4.654,387 1.682,388 2.726,389 1.33,390 4.122,391 2.253,392 1.275,393 1.822,395 3.426,396 1.246,397 2.628,398 1.29,399 3.675,400 2.209,401 1.219,402 1.674,404 2.796,405 1.206,406 2.5,407 1.042,408 3.38,409 2,410 1,411 1.5,413 2.229,414 1,415 2.402,416 1,417 3.318,418 1.939,419 0.978,420 1.359,422 2.136,423 0.937,424 2.145,425 0.931,426 3.247,427 1.819,428 0.85,429 1.027,431 2,432 0.822,433 2.118,434 0.757,435 3.235,436 1.649,437 0.688,438 0.927,440 1.665,441 0.66,442 1.862,443 0.715,444 3.203,445 1.518,446 0.618,447 0.812,449 1.372,450 0.556,451 15.4,452 0.481,453 0.762,454 0.024,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 30.98,462 0.968,463 34.4,464 0.538,465 26.762,466 0.836,467 7.367,468 0.23,469 8.216,470 0.257,471 0.065,472 0.032,473 0.247,479 0.937,480 1.366,481 0.89,482 1.12,483 0.838,484 1.02,485 1.174,486 1.068,487 0.966,488 0.956,489 0.766,490 0.943,491 1.082,492 1.131,493 1.152,494 1.162,495 0.879,496 1.163,497 0.814,498 1.028,499 1.002,500 1.072,501 0.832,502 1.058,503 0.727,504 0.889,505 0.88,506 0.931,507 0.793,508 0.922,509 0.859,510 1.071,511 0.969,512 1.055,513 0.818,514 1.028,515 0.943,516 0.92,517 0.991,518 0.969,519 0.855,520 0.982,521 0.949,522 0.993,523 1.005,524 1.015,525 1.025,526 1.015,527 6.5,528 0.167,529 4,530 1.764,531 1.282,532 0.937,533 0.601,534 0.264,535 0.238,536 0.14,537 17195,538 35975,539 2.166,540 50,542 16,543 1,544 2,545 2,547 10,548 1,550 1.739,551 2.076,552 3.758,553 0.146,559 86.279,560 1.348,561 3.488,562 4.715,563 5.277,564 5.32,565 5.32,566 3.23,567 4.5,568 4.974,569 3.968,570 1968.33,571 8.664,572 30446,574 1,577 384,578 1.305,579 4.947,580 0.181,581 0.006,582 0.078,583 0.038,584 0.031,585 0.023,586 0.015,587 0.007,588 0.008,589 0.005,590 0.394,591 0.17,592 0.88,593 0.406,594 171.97,595 0.115,596 -0.128,597 0.081,598 -0.036,599 0.119,600 0.01,601 -0.007,602 0.085,603 0.024,604 0.064,605 0.128,606 0.05,607 -0.154,608 -0.084,609 -0.181,610 -0.14,611 -0.053,612 -0.159,613 0.016,614 -0.08,615 -0.032,616 -0.071,617 0.017,618 -0.059,619 0.106,620 0.021,621 0.096,622 0.054,623 0.071,624 0.071,625 -0.003,626 -0.114,627 0.004,628 -0.054,629 -0.002,630 -0.03,631 0.065,632 0.026,633 -0.001,634 -0.007,635 0.025,636 -0.01,637 -0.044,638 -0.071,639 -0.024,640 -0.042,641 -0.098,642 -0.033,643 1.249,644 1.307,645 0.781,646 36.266,647 0.986,648 1.131,649 4.115,650 16.936,651 0.655,652 3.611,653 3.951,654 4.22,655 4.454,656 4.585,657 4.673,658 4.828,659 4.963,660 5.004,661 5.075,662 8.344,663 0.609,664 428.64,665 3.611,666 5.165,667 6.019,668 6.899,669 7.767,670 8.649,671 9.523,672 10.406,673 11.283,674 12.167,675 9.4,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,736 2,740 1,741 1,743 2,745 16,746 10,747 2,764 32,765 4,766 2,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,823 2,827 32,833 6,834 1,837 1,838 1,839 1,844 1,854 15.417,855 11.8,856 6.875,857 3.941,858 3.529,859 1.432,860 0.997,861 6.03,862 11.708,863 3.861,864 4.454,865 5.042,866 5.614,867 6.037,868 6.369,869 6.82,870 7.22,871 7.42,872 7.66,873 1,874 46,875 11.825,877 4.996,878 7.404,879 23.559,881 20.028,883 1.904,884 60.917,888 353.133,889 147.082,890 73.146,895 147.082,896 353.133,897 73.146,898 17.65,899 13.492,900 102.868,901 74.105,902 33.51,903 13.915,904 317.82,906 353.133,907 220.228,911 223.651,912 129.482,915 88.199,916 98.702,917 33.326,919 353.133,920 73.146,921 147.082,924 353.133,925 27.337,926 124.768,927 34.796,928 33.326,929 353.133,930 73.146,931 147.082,933 0.586,934 0.341,935 0.178,936 0.087,937 26,938 10,939 0.118,940 8,941 1,942 1.08,943 4.535,944 289.176,945 0.08,946 25,947 150,951 21.234,952 9.088,953 4.77,954 2.474,955 54.461,956 22.861,957 7.85,958 3.428,961 3.818,962 1.95,963 34.796,964 573.361,965 46.5,975 63.098,976 72.387,977 0.225,978 0.581,979 0.786,980 0.88,981 0.887,982 0.887,983 5.107,984 1.766,985 6.019,986 5.272,987 4.635,988 5.142,989 1.038,990 6.851,991 4.569,992 6.308,993 1.275,994 7.594,995 4.654,996 4.29,997 4.879,998 0.325,999 7.991,1000 4.201,1001 7.617,1002 1.219,1003 9.284,1004 3.426,1005 6.29,1006 7.329,1007 0.607,1008 11.02,1009 6.164,1010 8.967,1011 1,1012 11.048,1013 2.796,1014 6.825,1015 7.976,1016 0.268,1017 13.029,1018 6.678,1019 10.353,1020 0.978,1021 12.861,1022 2.229,1023 8.281,1024 9.855,1025 0.359,1026 15.641,1027 8.107,1028 11.766,1029 0.85,1030 14.709,1031 2.136,1032 9.187,1033 10.931,1034 0.188,1035 17.957,1036 8.994,1037 13.198,1038 0.688,1039 16.583,1040 2,1041 10.456,1042 12.579,1043 0.214,1044 20.469,1045 10.241,1046 3.374,1047 0.618,1048 18.477,1049 1.665,1050 11.52,1051 13.867,1052 0.125,1053 22.897,1054 11.287,1055 3.119,1056 12.405,1057 20.385,1058 1.372,1059 12.726,1060 15.418,1061 0.129,1062 25.391,1063 12.473,1064 2.765,1065 10.433,1066 22.306,1067 4.518,1068 13.858,1069 16.81,1070 0.082,1071 27.862,1072 13.588,1073 2.715,1074 8.885,1075 24.237,1076 3.79,1077 15.046,1078 18.323,1079 0.079,1080 30.358,1081 14.758,1082 2.111,1083 7.877,1084 26.176,1085 3.732,1086 16.21,1087 19.768,1088 0.054,1089 32.849,1090 15.903,1091 2.025,1092 6.094,1093 28.121,1094 2.83,1095 17.396,1096 21.267,1097 0.048,1098 35.349,1099 17.071,1100 1.882,1101 5.644,1102 30.072,1103 2.766,1104 18.575,1105 22.738,1106 0.035,1107 37.85,1108 18.231,1109 15764,1110 23033,1111 24.731,1112 41.932,1113 54.896,1114 54.365,1115 54.178,1116 54.394,1117 54.456,1118 69.86,1119 2.915,1120 157.939,1121 52.628,1122 5.537,1123 5.673,1124 7.095,1125 5.412,1126 5.374,1127 7.518,1128 1.457,1129 19.565,1130 5.3,1131 10.655,1132 1.525,1133 1.51,1134 1.505,1135 1.511,1136 1.513,1137 1.941,1138 0.081,1139 4.387,1140 1.462,1141 4.155,1142 4.194,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.968,1148 4.013,1149 3.888,1150 3.89,1151 4.928,1152 3.885,1153 3.867,1154 3.927,1155 3.793,1156 3.726,1157 4.77,1158 3.724,1159 3.818,1160 3.889,1161 3.741,1162 3.577,1163 4.404,1164 3.618,1165 3.556,1166 3.628,1167 3.421,1168 3.403,1169 4.269,1170 3.397,1171 3.421,1172 3.484,1173 3.293,1174 3.29,1175 4.221,1176 3.285,1177 3.231,1178 3.311,1179 3.094,1180 3.035,1181 3.872,1182 3.039,1183 3.076,1184 3.179,1185 2.876,1186 2.865,1187 3.724,1188 2.853,1189 0.127,1190 0.102,1191 0.203,1192 0.121,1193 0.094,1194 4.569,1195 0.125,1196 3.673,1197 0.022,1198 7.293,1199 0.345,1200 4.352,1201 0.092,1202 3.374,1203 4.518,1204 0.8,1205 12.405,1206 3.3,1207 1.959,1208 1.935,1209 2.075,1210 2.052,1211 1.331,1212 2.055,1213 1.942,1214 1.911,1215 2.039,1216 2.041,1217 1.268,1218 2.048,1219 1.698,1220 1.639,1221 1.913,1222 1.883,1223 1.204,1224 1.89,1225 1.673,1226 1.613,1227 1.876,1228 1.844,1229 1.115,1230 1.867,1231 1.509,1232 1.444,1233 1.777,1234 1.695,1235 0.905,1236 1.719,1237 1.438,1238 1.363,1239 1.646,1240 1.678,1241 0.872,1242 1.675,1243 1.374,1244 1.309,1245 1.517,1246 1.59,1247 0.588,1248 1.583,1249 1.078,1250 0.982,1251 1.417,1252 1.442,1253 0.549,1254 1.379,1255 4.29,1257 5.624,1258 3.434,1259 7.135,1260 5.687,1261 8.724,1262 7.678,1263 10.357,1265 4.556,1271 6.847,1272 3.807,1275 0.71,1276 2.615,1277 0.001,1280 38.977,1281 86.279,1282 223.236,1283 301.735,1284 337.735,1285 340.49,1286 340.49,1287 41.504,1288 8.178,1289 61.77,1290 61.77,1291 27,1292 12.701,1293 4.459,1294 3.524,1295 46.068,1296 164,1297 144,1298 0.135,1299 237.624,1300 395.2,1301 571.561,1302 49147,1304 21.968,1305 0.687,1306 0.592,1307 21.968,1308 18.96,1309 15.582,1310 0.433,1311 0.321,1312 11.438,1313 15.104,1314 11.093,1315 9.226,1316 15.582,1317 11.563,1318 14.364,1319 0.282,1320 0.186,1321 14.364,1322 9.49,1323 12.172,1324 0.182,1325 0.102,1326 12.172,1327 6.863,1328 9.912,1329 0.117,1330 0.056,1331 9.912,1332 4.785,1333 7.35,1334 0.076,1335 0.033,1336 7.35,1337 3.195,1338 0.22,1339 96.563,1340 0.201,1341 30.609,1342 0.349,1343 174,1344 381.246,1345 185.157,1346 382.89,1347 544.05,1348 362,1349 205,1350 421.054,1351 217.628,1352 432.548,1353 625.49,1354 406,1355 9.262} {0 CHEMBL164111,1 1.494,2 13.448,3 2.766,4 7.648,5 116.064,6 7.101,7 0.606,8 4.123,9 4.257,10 3.674,11 3.616,12 5.135,13 3.601,14 4.688,15 4.886,16 3.994,17 4.042,18 5.59,19 3.997,20 4.906,21 5.143,22 3.898,23 4.177,24 5.671,25 4.055,26 5.026,27 5.295,28 3.846,29 4.198,30 5.742,31 4.042,32 5.003,33 5.294,34 3.79,35 4.117,36 5.694,37 3.96,38 4.89,39 5.161,40 3.742,41 4.007,42 5.635,43 3.875,44 4.793,45 5.067,46 3.654,47 3.895,48 5.56,49 3.764,50 4.664,51 4.94,52 3.472,53 3.804,54 5.399,55 3.658,56 0.053,57 0.88,58 12.308,59 4.664,60 10.997,61 6.66,62 0.283,63 1.421,64 23.613,65 7.579,66 19.49,67 11.223,68 0.256,69 1.623,70 29.988,71 10.869,72 20.461,73 16.065,74 0.308,75 1.695,76 35.009,77 12.636,78 27.264,79 18.92,80 0.292,81 1.612,82 34.907,83 12.029,84 27.217,85 18.326,86 0.321,87 1.456,88 31.092,89 10.181,90 26.327,91 15.349,92 0.38,93 1.328,94 28.367,95 8.997,96 27.657,97 13.725,98 0.255,99 1.192,100 24.54,101 7.953,102 21.146,103 12.254,105 45,106 0.245,107 0.583,108 0.758,109 0.821,110 0.845,111 0.845,112 3.407,113 0.933,114 -3.82,115 -3.78,116 -3.59,119 40,121 2,125 6,140 4,141 3,142 1,149 3,150 1,158 2,164 1,169 6,171 2,172 6,176 3,178 5,181 1,182 4,186 3,189 5,192 1,193 6,197 1,199 3,203 8,206 1,211 2,215 6,218 1,222 1,225 1,226 4,229 2,233 1,236 1,237 4,244 2,249 2,252 1,256 2,259 1395,260 20.378,261 20.378,262 20.378,263 20.378,264 20.378,265 18.068,266 24.198,267 12.252,268 20.828,269 16.352,270 16.352,271 16.352,272 16.352,273 16.352,274 12.946,275 28.599,276 5.873,277 17.081,278 4.288,279 2.221,280 1.149,281 0.764,282 0.618,283 0.618,284 4.123,288 1,289 1,290 883,291 2.828,294 242.272,295 179.962,298 127.211,302 2.119,303 12.308,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 390,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.063,327 6.095,328 3.692,329 2.754,330 3.731,331 0.8,332 8.884,333 2.609,334 3.961,335 2.884,336 5.62,337 3.677,338 2.73,339 3.49,340 0.172,341 7.796,342 2.577,343 3.61,344 2.76,345 5.336,346 3.441,347 2.484,348 2.813,350 6.961,351 2.359,352 3.43,353 2.354,354 5.129,355 3.065,356 2.112,357 2.634,359 6.02,360 2.022,361 3.251,362 2.178,363 4.96,364 2.964,365 2.007,366 2.588,368 5.87,369 1.898,370 3.156,371 1.795,372 4.514,373 2.73,374 1.776,375 2.188,377 4.655,378 1.69,379 2.742,380 1.382,381 4.133,382 2.319,383 1.333,384 1.848,386 3.482,387 1.313,388 2.562,389 1.314,390 3.496,391 2.177,392 1.19,393 1.584,395 2.643,396 1.174,397 2.424,398 1.151,399 3.414,400 2.067,401 1.099,402 1.396,404 2.46,405 1.061,406 2.252,407 1.146,408 3.404,409 1.967,410 1,411 1.192,413 2.275,414 0.965,415 2.118,416 0.931,417 3.312,418 1.858,419 0.893,420 1,422 2.093,423 0.86,424 2.118,425 0.669,426 3.172,427 1.618,428 0.618,429 0.927,431 1.462,432 0.618,433 2,434 0.618,435 3,436 1.56,437 0.618,438 0.927,440 1.372,441 0.575,442 1.983,443 0.618,444 3,445 1.518,446 0.602,447 0.82,449 1.372,450 0.556,451 13.733,452 0.474,453 0.496,454 0.017,455 36.25,456 1.25,457 16,458 0.552,459 20.25,460 0.698,461 24.224,462 0.835,463 31.267,464 0.568,465 23.945,466 0.826,467 7.213,468 0.249,469 7.135,470 0.246,473 0.269,479 0.894,480 1.508,481 0.806,482 1.196,483 0.601,484 1.021,485 1.305,486 1.018,487 1.023,488 0.896,489 0.882,490 0.911,491 0.819,492 1.056,493 1.101,494 1.134,495 0.715,496 1.147,497 0.646,498 1.03,499 0.976,500 1.091,501 0.669,502 1.082,503 0.619,504 0.931,505 0.861,506 0.971,507 0.705,508 0.949,509 1.052,510 1,511 0.989,512 0.999,513 0.968,514 0.994,515 0.985,516 0.968,517 0.984,518 0.958,519 0.955,520 0.975,521 0.866,522 0.952,523 1.078,524 1.023,525 1.11,526 1.059,527 4.5,528 0.094,529 2.667,530 1.104,531 0.881,532 0.639,533 0.474,534 0.208,535 0.133,536 0.123,537 13886,538 32738,539 2.237,540 47.3,541 2,542 16,543 3,544 2,545 1,547 2,550 1.712,551 2.203,552 3.702,553 -0.336,555 1,559 82.146,560 1.494,561 3.561,562 4.632,563 5.018,564 5.163,565 5.163,566 3.125,567 4.28,568 4.829,569 3.909,570 1587.12,571 8.368,572 22946,574 1,576 1,577 317.975,578 0.85,579 4.832,580 0.136,581 0.004,582 0.059,583 0.028,584 0.024,585 0.019,586 0.015,587 0.007,588 0.006,589 0.006,590 0.305,591 0.33,592 0.88,594 151.459,595 0.065,596 -0.271,597 0.098,598 -0.127,599 0.266,600 -0.03,601 -0.158,602 0.139,603 -0.061,604 0.087,605 -0.001,606 0.037,607 -0.086,608 -0.025,609 -0.164,610 -0.108,611 -0.038,612 -0.14,613 0.046,614 -0.098,615 -0.021,616 -0.068,617 0.067,618 -0.057,619 0.072,620 -0.03,621 0.112,622 0.026,623 0.078,624 0.068,625 -0.048,626 -0.069,627 0.003,628 -0.018,629 -0.026,630 -0.006,631 0.051,632 -0.028,633 0.016,634 0.004,635 0.015,637 -0.071,638 0.021,639 -0.105,640 -0.054,641 -0.202,642 -0.076,643 0.572,644 1.677,645 0.862,646 32.604,647 0.996,648 1.134,649 2.594,650 6.728,651 0.656,652 3.526,653 3.829,654 4.111,655 4.369,656 4.489,657 4.595,658 4.745,659 4.86,660 4.898,661 4.942,662 7.989,663 0.62,664 390.54,665 3.526,666 5.056,667 5.905,668 6.77,669 7.631,670 8.5,671 9.367,672 10.239,673 11.11,674 11.985,675 10.9,678 2,683 2,685 2,687 2,688 9,689 2,690 1,691 1,693 3,694 1,695 20,714 55,716 20,717 1,718 33,720 59,721 22,722 14,723 3,724 3,730 5,731 6,743 2,745 14,746 8,761 1,763 1,764 26,765 5,766 1,767 7,773 6,777 0.8,778 1,788 1,792 3,793 2,796 1,815 2,819 4,827 29,833 8,838 2,844 1,847 1.8,852 1,854 13.167,855 9.667,856 6.333,857 3.394,858 3.341,859 1.419,860 1.028,861 5.479,862 11.313,863 3.784,864 4.366,865 4.965,866 5.558,867 5.894,868 6.309,869 6.769,870 7.189,871 7.379,872 7.599,873 0.889,874 39,875 10.694,877 4.505,878 7.443,879 21.212,881 17.82,883 1.943,884 56.333,887 1,888 294.278,889 119.217,890 58.259,892 9.507,895 119.217,896 303.785,897 58.259,899 17.703,900 70.431,901 74.105,902 46.141,903 37.457,904 235.422,906 294.278,907 177.476,908 9.507,911 270.735,912 33.05,915 59.874,916 84.276,917 33.326,919 294.278,920 67.767,921 119.217,924 294.278,925 31.548,926 95.816,927 16.786,928 42.833,929 294.278,930 67.767,931 119.217,933 0.574,934 0.335,935 0.184,936 0.087,937 23,938 8,939 0.119,940 7,941 1,942 1.08,943 4.41,944 250.079,945 0.08,946 25,947 132.881,951 18.615,952 8.535,953 4.297,954 2.478,955 49.082,956 17.737,957 7.815,958 3.407,959 5.177,961 3.745,962 1.944,963 16.786,964 481.261,965 43,975 54.774,976 62.351,977 0.258,978 0.616,979 0.801,980 0.868,981 0.893,982 0.893,983 5.004,984 1.333,985 5.855,986 4.655,987 4.511,988 5.053,989 1.242,990 6.621,991 4.429,992 6.175,993 1.19,994 7.376,995 3.482,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.759,1001 7.456,1002 1.099,1003 8.995,1004 2.643,1005 6.057,1006 7.23,1007 0.883,1008 10.497,1009 5.896,1010 8.777,1011 1,1012 10.676,1013 2.46,1014 6.347,1015 7.852,1016 0.581,1017 12.167,1018 6.147,1019 10.137,1020 0.893,1021 12.399,1022 2.275,1023 7.877,1024 9.748,1025 0.68,1026 14.734,1027 7.651,1028 11.524,1029 0.618,1030 14.15,1031 2.093,1032 8.585,1033 10.834,1034 0.515,1035 16.772,1036 8.331,1037 12.932,1038 0.618,1039 15.922,1040 1.462,1041 9.858,1042 12.478,1043 0.541,1044 19.171,1045 9.581,1046 3.118,1047 0.602,1048 17.71,1049 1.372,1050 10.769,1051 13.785,1052 0.441,1053 21.37,1054 10.473,1055 2.754,1056 10.431,1057 19.511,1058 1.372,1059 11.937,1060 15.331,1061 0.438,1062 23.715,1063 11.621,1064 2.73,1065 8.884,1066 21.322,1067 4.518,1068 12.948,1069 16.741,1070 0.373,1071 25.986,1072 12.618,1073 2.484,1074 7.796,1075 23.142,1076 3.731,1077 14.075,1078 18.253,1079 0.358,1080 28.316,1081 13.728,1082 2.112,1083 6.961,1084 24.969,1085 3.49,1086 15.136,1087 19.71,1088 0.314,1089 30.62,1090 14.777,1091 2.007,1092 6.02,1093 26.803,1094 2.813,1095 16.25,1096 21.212,1097 0.296,1098 32.95,1099 15.877,1100 1.776,1101 5.87,1102 28.642,1103 2.634,1104 17.337,1105 22.693,1106 0.264,1107 35.27,1108 16.954,1109 12528,1110 19398,1111 23.345,1112 36.103,1113 49.517,1114 48.658,1115 48.582,1116 48.993,1117 48.962,1118 63.637,1119 3.778,1120 136.279,1121 46.968,1122 5.568,1123 5.197,1124 6.181,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1132 1.501,1133 1.474,1134 1.472,1135 1.485,1136 1.484,1137 1.928,1138 0.114,1139 4.13,1140 1.423,1141 4.153,1142 4.191,1143 4.113,1144 4.061,1145 5.137,1146 4.069,1147 3.942,1148 3.985,1149 3.869,1150 3.781,1151 5.087,1152 3.797,1153 3.832,1154 3.905,1155 3.789,1156 3.619,1157 4.926,1158 3.64,1159 3.782,1160 3.831,1161 3.68,1162 3.564,1163 4.375,1164 3.594,1165 3.513,1166 3.583,1167 3.37,1168 3.355,1169 4.256,1170 3.353,1171 3.284,1172 3.352,1173 3.177,1174 3.111,1175 3.992,1176 3.117,1177 3.111,1178 3.206,1179 2.942,1180 2.941,1181 3.79,1182 2.91,1183 3.09,1184 3.18,1185 2.866,1186 2.846,1187 3.637,1188 2.858,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.094,1194 4.568,1195 0.137,1196 3.197,1197 0.028,1198 6.566,1199 0.316,1200 4.099,1201 0.093,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.053,1210 2.058,1211 1.365,1212 2.058,1213 1.818,1214 1.751,1215 2.006,1216 2.029,1217 1.251,1218 2.027,1219 1.669,1220 1.616,1221 1.87,1222 1.838,1223 1.112,1224 1.852,1225 1.533,1226 1.485,1227 1.712,1228 1.695,1229 0.935,1230 1.696,1231 1.401,1232 1.33,1233 1.571,1234 1.637,1235 0.825,1236 1.626,1237 1.298,1238 1.253,1239 1.513,1240 1.573,1241 0.713,1242 1.527,1243 1.247,1244 1.213,1245 1.48,1246 1.486,1247 0.579,1248 1.494,1249 1.153,1250 1.064,1251 1.44,1252 1.442,1253 0.44,1254 1.429,1255 4.205,1257 5.509,1258 3.434,1259 6.991,1260 5.638,1261 8.556,1262 7.591,1263 10.169,1271 8.937,1276 5.094,1280 34.111,1281 82.146,1282 195.836,1283 254.756,1284 275.975,1285 283.975,1286 283.975,1287 31.621,1288 7.971,1289 66.12,1290 66.12,1291 27,1292 12.525,1293 4.392,1294 3.459,1295 39.997,1296 141,1297 126,1298 0.135,1299 206.178,1300 337.43,1301 494.834,1302 37948,1304 19.468,1305 0.671,1306 0.569,1307 19.468,1308 16.497,1309 14.348,1310 0.435,1311 0.311,1312 10.09,1313 13.693,1314 9.914,1315 8.167,1316 14.348,1317 10.258,1318 12.583,1319 0.28,1320 0.173,1321 12.583,1322 7.766,1323 10.964,1324 0.183,1325 0.097,1326 10.964,1327 5.84,1328 9.238,1329 0.118,1330 0.053,1331 9.238,1332 4.173,1333 6.66,1334 0.076,1335 0.032,1336 6.66,1337 2.807,1338 0.221,1339 90.345,1340 0.207,1341 28.381,1342 0.346,1343 156,1344 402.294,1345 170.063,1346 390.388,1347 547.27,1348 370,1349 183,1350 415.931,1351 199.173,1352 421.481,1353 609.61,1354 395,1355 8.959} {0 CHEMBL1642851,1 1.629,2 10.759,3 3.13,4 9.797,5 115.41,6 7.972,7 0.636,8 4.052,9 4.16,10 3.822,11 3.686,12 5.073,13 3.632,14 4.607,15 4.751,16 4.158,17 4.106,18 5.788,19 4.042,20 4.905,21 5.11,22 4.275,23 4.261,24 5.948,25 4.152,26 4.953,27 5.162,28 4.243,29 4.221,30 6.129,31 4.119,32 4.845,33 5.044,34 4.128,35 4.127,36 6.025,37 4.039,38 4.791,39 4.99,40 3.984,41 4.061,42 5.956,43 3.977,44 4.724,45 4.945,46 3.879,47 4.002,48 5.715,49 3.896,50 4.628,51 4.846,52 3.783,53 3.895,54 5.617,55 3.776,56 0.106,57 0.793,58 12.364,59 5.109,60 16.011,61 5.944,62 0.199,63 1.312,64 20.098,65 8.398,66 43.341,67 10.517,68 0.323,69 1.699,70 33.454,71 12.243,72 41.731,73 15.283,74 0.425,75 1.696,76 36.377,77 12.938,78 69.019,79 15.518,80 0.333,81 1.511,82 33.037,83 11.79,84 61.39,85 14.065,86 0.401,87 1.433,88 28.942,89 10.331,90 67.388,91 12.73,92 0.281,93 1.373,94 26.239,95 9.502,96 49.147,97 12.216,98 0.246,99 1.288,100 26.527,101 8.874,102 36.822,103 10.882,104 5,105 48,106 0.268,107 0.577,108 0.725,109 0.819,110 0.85,111 0.862,112 3.409,113 1.027,114 -4.08,115 -4.03,116 -3.82,119 43.1,121 2,125 2,127 1,140 10,141 3,142 2,144 1,151 1,166 1,169 11,171 1,172 2,176 7,178 14,182 8,184 2,186 4,189 11,192 2,193 8,196 1,197 3,199 11,203 10,206 1,207 1,208 3,211 11,215 7,218 2,220 5,222 8,226 5,231 7,233 9,237 5,242 3,244 7,252 1,253 1,254 3,256 8,259 1325,260 19.91,261 19.91,262 19.91,263 19.91,264 19.91,265 17.307,266 20.128,267 11.712,268 20.376,269 16.332,270 16.332,271 16.332,272 16.332,273 16.332,274 12.331,275 33.501,276 5.573,277 17.121,278 4.043,279 2.166,280 1.269,281 0.696,282 0.51,283 0.431,284 4.12,288 1,289 1,290 698,291 3.317,294 59.056,295 296.091,298 107.393,299 117.647,302 1.698,303 32.89,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 312,316 5.057,317 5.365,318 7.792,319 4.484,320 3.605,321 5.026,322 2.95,323 14.27,324 3.179,325 4.48,326 3.348,327 6.587,328 3.983,329 3.003,330 4.432,331 0.4,332 10.324,333 2.942,334 4.24,335 2.902,336 6.186,337 3.707,338 2.74,339 4.07,340 0.4,341 9.011,342 2.604,343 3.75,344 2.722,345 5.557,346 3.526,347 2.564,348 3.104,350 7.582,351 2.457,352 3.357,353 2.459,354 5.311,355 3.097,356 2.126,357 2.657,359 6.056,360 2.061,361 3.279,362 2.183,363 4.999,364 2.788,365 1.823,366 2.427,368 5.753,369 1.75,370 3.118,371 1.707,372 4.627,373 2.618,374 1.618,375 2.404,377 4.452,378 1.618,379 3.054,380 1.618,381 4.203,382 2.486,383 1.497,384 2.309,386 3.663,387 1.478,388 2.761,389 1.516,390 3.94,391 2.355,392 1.427,393 1.891,395 3.138,396 1.322,397 2.652,398 1.312,399 3.595,400 2.26,401 1.261,402 1.71,404 2.964,405 1.259,406 2.438,407 1.226,408 3.584,409 2.102,410 1.137,411 1.436,413 2.778,414 1.093,415 2.239,416 1.077,417 3.357,418 1.984,419 1,420 1.103,422 2.136,423 0.983,424 2.061,425 0.982,426 3.247,427 1.733,428 0.748,429 1,431 1.791,432 0.733,433 2,434 0.626,435 3.222,436 1.543,437 0.572,438 0.839,440 1.441,441 0.554,442 1.186,443 0.304,444 2.872,445 0.94,446 -0.01,447 -0.012,449 -0.027,450 -0.01,451 14.1,452 0.486,453 0.718,454 0.025,455 40,456 1.379,457 21.5,458 0.741,459 18.5,460 0.638,461 22.911,462 0.79,463 30.3,464 0.594,465 30.633,466 1.056,467 7.518,468 0.259,469 6.608,470 0.228,471 0.047,472 0.059,473 0.284,479 0.571,480 1.055,481 0.827,482 1.036,483 0.639,484 0.856,485 0.748,486 1.169,487 0.833,488 0.997,489 0.591,490 0.973,491 0.81,492 1.016,493 0.986,494 1.01,495 0.709,496 0.931,497 1.206,498 0.952,499 1.053,500 1.01,501 1.269,502 0.923,503 1.289,504 0.987,505 1.075,506 1.077,507 1.457,508 0.933,509 1.315,510 1.047,511 1.059,512 0.996,513 1.434,514 0.995,515 1.141,516 1.036,517 0.956,518 0.9,519 1.073,520 0.978,521 1.168,522 1.144,523 1.309,524 1.164,525 0.942,526 1.097,527 5.5,528 0.087,529 3.778,530 2.535,531 1.983,532 0.903,533 0.683,534 0.418,535 0.256,536 0.148,537 10914,538 26172,539 2.184,540 43.1,542 15,545 3,548 4,550 1.722,551 2.084,552 3.391,553 0.891,554 1,555 1,559 83.079,560 1.629,561 3.506,562 4.403,563 4.976,564 5.163,565 5.241,566 2.86,567 4.444,568 4.828,569 3.531,570 1433.46,571 8.426,572 18654.9,574 1,576 1,577 289.294,578 1.373,579 4.801,580 0.167,581 0.005,582 0.079,583 0.051,584 0.041,585 0.02,586 0.017,587 0.012,588 0.008,589 0.006,590 0.405,591 0.33,592 0.88,593 0.434,594 145.235,595 0.106,596 0.106,597 0.188,598 0.052,599 -0.123,600 0.084,601 0.098,602 -0.092,603 0.047,604 -0.027,605 0.19,606 -0.042,607 0.08,608 0.018,609 0.099,610 0.043,611 0.091,612 0.053,613 0.033,614 0.044,615 0.059,616 0.036,617 0.079,618 0.05,619 -0.029,620 -0.015,621 0.02,622 -0.025,624 0.047,625 -0.07,626 -0.062,627 -0.113,628 -0.047,629 -0.061,630 -0.049,631 -0.165,632 -0.042,633 -0.057,634 0.021,635 -0.147,636 -0.02,637 -0.186,638 -0.083,639 -0.21,640 -0.139,641 -0.107,642 -0.139,643 4.671,644 6.524,645 0.862,646 26.071,647 1.002,648 1.119,649 2.855,650 8.15,651 0.695,652 3.526,653 3.892,654 4.22,655 4.533,656 4.779,657 4.852,658 5.017,659 5.187,660 5.273,661 5.352,662 6.273,663 0.656,664 406.55,665 3.526,666 5.094,667 5.974,668 6.882,669 7.782,670 8.698,671 9.607,672 10.528,673 11.442,674 12.367,675 7.8,677 1,680 1,683 1,685 1,687 4,688 10,689 1,690 1,693 3,695 21,707 1,714 51,716 23,717 3,718 33,720 55,721 22,722 17,723 6,724 10,730 5,731 7,740 3,743 3,745 17,746 5,750 2,753 1,755 2,761 1,764 22,765 5,766 3,767 7,768 1,773 4,777 0.6,778 2,784 1,792 1,793 4,796 1,797 1,814 1,819 3,821 1,827 29,829 1,833 4,834 2,837 1,847 3.9,850 2,854 13.917,855 8.867,856 6.194,857 3.114,858 4.299,859 1.527,860 1.062,861 4.687,862 12.451,863 3.839,864 4.53,865 5.194,866 5.866,867 6.454,868 6.835,869 7.292,870 7.745,871 8.066,872 8.358,873 1,874 50,875 11.055,877 5.186,878 7.721,879 20.9,881 18.31,883 2.221,884 64.417,887 1,888 223.651,889 125.381,890 69.348,892 44.313,894 6.046,895 119.335,896 267.964,897 69.348,899 9.28,900 118.819,901 78.987,902 31.955,904 223.651,906 223.651,907 188.683,908 44.313,909 6.046,911 176.567,912 91.397,915 47.22,916 106.789,917 40.72,919 223.651,920 113.66,921 125.381,923 6.046,924 223.651,925 24.573,926 94.762,927 52.685,928 60.976,929 223.651,930 113.66,931 125.381,933 0.588,934 0.353,935 0.2,936 0.109,937 26,938 10,939 0.073,940 4,941 2,942 1.16,943 4.029,944 275.483,945 0.16,946 25,947 132.881,950 1,951 18.469,952 7.36,953 3.367,954 2.851,955 96.997,956 18.567,957 4.236,958 2.772,961 1.343,963 52.685,964 462.693,965 45.5,968 -3.755,970 27.049,975 51.091,976 57.069,977 0.287,978 0.618,979 0.776,980 0.877,981 0.91,982 0.924,983 5.089,984 1.497,985 5.989,986 4.452,987 4.575,988 5.218,989 2.947,990 6.889,991 4.478,992 6.338,993 1.427,994 7.603,995 3.663,996 4.29,997 5.301,999 8.159,1000 4.051,1001 7.702,1002 1.261,1003 9.341,1004 3.138,1005 6.279,1006 7.629,1007 5.028,1008 11.304,1009 6.036,1010 9.116,1011 1.137,1012 11.16,1013 2.964,1014 6.878,1015 8.596,1017 13.469,1018 6.455,1019 10.574,1020 1,1021 13.034,1022 2.778,1023 8.36,1024 10.427,1025 7.185,1026 16.235,1027 7.914,1028 12.063,1029 0.748,1030 14.948,1031 2.136,1032 9.345,1033 11.76,1035 18.714,1036 8.717,1037 13.577,1038 0.572,1039 16.892,1040 1.791,1041 10.658,1042 13.422,1043 9.348,1044 21.392,1045 9.969,1046 3.605,1047 -0.01,1048 18.858,1049 1.441,1050 11.806,1051 14.904,1053 23.982,1054 10.948,1055 3.003,1056 14.27,1057 20.841,1058 -0.027,1059 13.072,1060 16.511,1061 11.511,1062 26.64,1063 12.119,1064 2.74,1065 10.324,1066 22.837,1067 5.026,1068 14.288,1069 18.054,1071 29.27,1072 13.18,1073 2.564,1074 9.011,1075 24.845,1076 4.432,1077 15.547,1078 19.647,1079 13.675,1080 31.926,1081 14.322,1082 2.126,1083 7.582,1084 26.861,1085 4.07,1086 16.794,1087 21.218,1089 34.572,1090 15.421,1091 1.823,1092 6.056,1093 28.884,1094 3.104,1095 18.056,1096 22.809,1097 15.838,1098 37.228,1099 16.555,1100 1.618,1101 5.753,1102 30.912,1103 2.657,1104 19.318,1105 24.395,1107 39.881,1108 17.673,1109 10035,1110 15773,1111 22.652,1112 35.432,1113 50.367,1114 51.88,1115 50.961,1116 50.352,1117 50.24,1118 68.814,1119 7.5,1120 150.716,1121 48.066,1122 6.057,1123 7.365,1124 7.594,1125 5.639,1126 5.605,1127 8.026,1128 5.9,1129 22.937,1130 5.179,1131 9.057,1132 1.526,1133 1.572,1134 1.544,1135 1.526,1136 1.522,1137 2.085,1138 0.227,1139 4.567,1140 1.457,1141 4.234,1142 4.232,1143 4.771,1144 4.221,1145 7.715,1146 4.161,1147 4.035,1148 4.063,1149 3.997,1150 3.968,1151 6.999,1152 3.97,1153 3.845,1154 3.909,1155 3.915,1156 3.723,1157 5.056,1158 3.688,1159 3.694,1160 3.674,1161 3.689,1162 3.629,1163 4.872,1164 3.579,1165 3.42,1166 3.474,1167 3.322,1168 3.329,1169 4.499,1170 3.312,1171 3.297,1172 3.343,1173 3.266,1174 3.076,1175 4.318,1176 3.091,1177 3.111,1178 3.206,1179 2.894,1180 2.941,1181 4.309,1182 2.91,1183 3.044,1184 3.14,1185 2.866,1186 2.858,1187 3.853,1188 2.853,1189 0.153,1190 0.163,1191 0.236,1192 0.136,1193 0.109,1194 5.057,1195 0.152,1196 5.365,1197 0.089,1198 7.792,1199 0.432,1200 4.484,1201 0.096,1202 3.605,1203 5.026,1204 2.95,1205 14.27,1206 3.179,1207 2.111,1208 2.115,1209 2.145,1210 2.146,1211 1.385,1212 2.173,1213 1.944,1214 1.923,1215 2.058,1216 2.054,1217 1.352,1218 2.06,1219 1.791,1220 1.738,1221 1.956,1222 1.941,1223 1.149,1224 1.957,1225 1.64,1226 1.65,1227 1.661,1228 1.788,1229 0.833,1230 1.803,1231 1.421,1232 1.383,1233 1.513,1234 1.574,1235 0.825,1236 1.587,1237 1.153,1238 1.071,1239 1.466,1240 1.43,1241 0.631,1242 1.429,1243 1.144,1244 1.064,1245 1.366,1246 1.376,1247 0.559,1248 1.423,1249 1.06,1250 0.998,1251 1.242,1252 1.301,1253 0.329,1254 1.309,1255 4.205,1257 5.557,1258 2.398,1259 7.12,1260 4.727,1261 8.779,1262 6.862,1263 10.489,1271 4.077,1272 6.888,1275 0.388,1280 33.444,1281 83.079,1282 178.816,1283 224.565,1284 253.784,1285 263.294,1286 267.294,1287 51.602,1288 8.152,1289 86.88,1290 95.26,1291 29,1292 12.874,1293 4.585,1294 3.755,1295 39.505,1296 107,1297 121,1298 0.179,1299 204.789,1300 340.09,1301 491.445,1302 42790,1304 19.847,1305 0.684,1306 0.575,1307 20.097,1308 16.668,1309 14.126,1310 0.428,1311 0.342,1312 9.842,1313 12.995,1314 9.547,1315 7.87,1316 14.915,1317 11.294,1318 13.094,1319 0.273,1320 0.194,1321 14.375,1322 9.289,1323 11.399,1324 0.17,1325 0.109,1326 12.714,1327 7.321,1328 9.987,1329 0.109,1330 0.061,1331 11.353,1332 5.595,1333 8.248,1334 0.07,1335 0.035,1336 9.555,1337 4.096,1338 0.276,1339 95.46,1340 0.21,1341 27.186,1342 0.505,1343 162,1344 424.975,1345 213.08,1346 439.842,1347 612.45,1348 408,1349 196,1350 437.303,1351 257.314,1352 481.126,1353 710.6,1354 454,1355 5.301} {0 CHEMBL1642865,1 1.735,2 10.679,3 2.431,4 5.909,5 107.51,6 8.576,7 0.677,8 3.952,9 4.052,10 3.774,11 3.585,12 5.106,13 3.545,14 4.454,15 4.576,16 4.103,17 3.976,18 5.79,19 3.93,20 4.715,21 4.883,22 4.233,23 4.109,24 5.971,25 4.037,26 4.76,27 4.922,28 4.243,29 4.084,30 6.147,31 4.023,32 4.715,33 4.871,34 4.101,35 3.984,36 6.098,37 3.941,38 4.633,39 4.807,40 3.939,41 3.898,42 5.954,43 3.853,44 4.562,45 4.756,46 3.849,47 3.837,48 5.772,49 3.77,50 4.487,51 4.693,52 3.664,53 3.732,54 5.809,55 3.636,56 0.137,57 0.715,58 9.863,59 4.425,60 22.093,61 4.625,62 0.28,63 1.114,64 14.947,65 7.127,66 54.087,67 8.221,68 0.418,69 1.395,70 24.776,71 9.771,72 63.341,73 11.051,74 0.526,75 1.424,76 28.532,77 10.542,78 72.875,79 11.138,80 0.553,81 1.311,82 27.562,83 9.663,84 89.913,85 9.746,86 0.513,87 1.222,88 23.657,89 8.4,90 76.251,91 9.26,92 0.447,93 1.154,94 20.268,95 7.577,96 69.857,97 9.12,98 0.459,99 1.076,100 20.228,101 7.386,102 89.045,103 9.08,104 21,105 45,106 0.291,107 0.601,108 0.741,109 0.847,110 0.882,111 0.897,112 3.375,113 0.987,114 -3.61,115 -3.58,116 -3.41,119 43.5,121 1,125 1,140 10,141 3,142 2,145 1,150 1,156 1,161 1,162 1,163 1,166 1,169 11,171 1,172 2,174 1,176 6,178 13,180 1,181 2,182 8,186 4,189 11,193 13,194 1,195 3,196 1,198 1,199 9,203 13,206 1,207 1,208 2,211 9,215 7,218 2,220 5,222 8,224 2,225 1,226 2,229 1,231 8,233 9,235 2,236 2,237 2,242 4,244 7,249 2,251 1,252 1,253 1,254 3,255 1,256 6,259 1222,260 18.919,261 18.919,262 18.919,263 18.919,264 18.919,265 16.16,266 12.118,267 11.124,268 19.299,269 15.281,270 15.281,271 15.281,272 15.281,273 15.281,274 10.993,275 13.835,276 5.181,277 15.929,278 3.788,279 1.939,280 1.103,281 0.468,282 0.261,283 0.174,284 4.069,288 1,289 1,290 646,291 3.937,294 58.693,295 204.352,298 107.541,299 115.034,302 1.679,303 40.952,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 61,315 299,316 5.057,317 5.365,318 7.792,319 4.484,320 3.605,321 5.026,322 2.95,323 14.27,324 3.179,325 4.481,326 3.592,327 6.587,328 3.982,329 3.002,330 4.432,331 1.907,332 10.324,333 2.942,334 4.241,335 3.345,336 6.186,337 3.701,338 2.733,339 4.07,340 0.149,341 9.009,342 2.601,343 3.808,344 2.836,345 5.461,346 3.464,347 2.481,348 3.164,350 7.231,351 2.426,352 3.417,353 2.524,354 5.29,355 3.019,356 2.019,357 2.689,359 5.827,360 2.006,361 3.284,362 2.24,363 4.784,364 2.785,365 1.818,366 2.604,368 5.371,369 1.748,370 3.118,371 1.618,372 4.625,373 2.618,374 1.618,375 2.427,377 4.45,378 1.618,379 3.054,380 1.516,381 4.201,382 2.486,383 1.497,384 2.309,386 3.661,387 1.478,388 2.761,389 1.471,390 3.938,391 2.26,392 1.261,393 1.891,395 3.061,396 1.259,397 2.644,398 1.315,399 3.586,400 2.122,401 1.158,402 1.701,404 2.78,405 1.113,406 2.241,407 1.229,408 3.362,409 1.984,410 1.012,411 1.114,413 1.825,414 0.977,415 2.136,416 1.003,417 3.238,418 1.732,419 0.745,420 1.075,422 1.701,423 0.732,424 2.055,425 0.68,426 3.096,427 1.536,428 0.561,429 0.828,431 1.362,432 0.545,433 1.201,434 0.528,435 2.801,436 0.831,437 -0.135,438 -0.162,440 -0.321,441 -0.129,442 1.043,443 0.249,444 2.53,445 0.537,446 -0.439,447 -0.629,449 -0.957,450 -0.421,451 13.433,452 0.48,453 0.756,454 0.027,455 40.5,456 1.446,457 23,458 0.821,459 17.5,460 0.625,461 19.743,462 0.705,463 29.167,464 0.634,465 32.675,466 1.167,467 7.946,468 0.284,469 5.557,470 0.198,471 0.104,472 0.062,473 0.298,479 0.582,480 0.967,481 0.814,482 0.998,483 0.676,484 0.797,485 0.608,486 1.131,487 0.772,488 0.994,489 0.617,490 0.944,491 0.914,492 1.002,493 0.945,494 0.974,495 0.905,496 0.893,497 1.154,498 1.03,499 1.185,500 1.14,501 1.15,502 0.955,503 1.64,504 0.998,505 1.262,506 1.106,507 1.72,508 0.967,509 1.331,510 1.052,511 1.103,512 0.987,513 1.328,514 0.968,515 0.983,516 1.028,517 0.859,518 0.898,519 1.019,520 1.004,521 0.711,522 1.084,523 1.051,524 1.066,525 0.522,526 1.129,527 6,528 0.091,529 4,530 2.722,531 1.992,532 1.007,533 0.705,534 0.453,535 0.253,536 0.172,537 9066,538 27068,539 2.085,540 39.1,542 12,545 4,546 2,550 1.714,551 1.942,552 3.361,553 1.698,554 1,555 1,559 79.832,560 1.735,561 3.585,562 4.421,563 5.056,564 5.263,565 5.35,566 2.867,567 4.423,568 4.775,569 3.496,570 1321.36,571 8.326,572 16744.5,574 1,576 1,577 254.084,578 1.572,579 4.728,580 0.194,581 0.006,582 0.089,583 0.057,584 0.041,585 0.023,586 0.018,587 0.013,588 0.009,589 0.008,590 0.458,591 0.17,592 1,593 1.26,594 138.467,595 0.039,596 0.189,597 0.164,598 0.084,599 -0.145,600 0.105,601 0.152,602 -0.078,603 0.08,604 -0.013,605 0.119,606 -0.028,607 0.007,608 0.024,609 0.11,610 0.082,611 -0.005,612 0.077,613 0.011,615 -0.009,616 -0.032,617 0.043,618 0.002,619 -0.245,620 -0.011,621 -0.15,622 -0.049,623 -0.201,624 -0.034,625 -0.146,626 -0.058,627 -0.15,628 -0.038,629 -0.122,630 -0.039,631 -0.035,632 -0.043,633 -0.022,634 -0.017,635 -0.111,636 -0.058,637 0.137,638 -0.092,639 -0.126,640 -0.131,641 0.243,642 -0.153,643 4.796,644 6.373,645 0.679,646 24.923,647 1.014,648 1.118,649 2.381,650 5.668,651 0.704,652 3.466,653 3.829,654 4.143,655 4.454,656 4.682,657 4.787,658 4.942,659 5.088,660 5.136,661 5.176,662 6.113,663 0.676,664 394.49,665 3.466,666 5.03,667 5.905,668 6.817,669 7.716,670 8.636,671 9.546,672 10.471,673 11.387,674 12.316,675 8.7,676 1,682 1,683 1,685 1,687 4,688 10,689 1,690 1,693 3,695 21,714 46,716 24,717 3,718 31,720 49,721 20,722 17,723 6,724 10,730 4,731 6,736 1,743 1,745 18,746 2,750 3,753 1,755 3,759 1,761 1,764 18,765 6,766 4,767 8,768 1,773 4,777 0.5,778 3,784 1,792 1,793 3,796 1,797 1,805 1,812 1,819 2,821 1,827 28,828 1,829 1,833 2,834 1,847 6.5,850 3,854 14.417,855 8.033,856 6.111,857 2.593,858 4.36,859 1.559,860 1.048,861 4.795,862 12.159,863 3.818,864 4.519,865 5.177,866 5.857,867 6.442,868 6.834,869 7.296,870 7.749,871 8.048,872 8.342,873 1,874 48,875 10.674,877 5.016,878 8.009,879 19.421,881 16.472,883 2.509,884 70.25,887 1,888 164.795,889 125.446,890 84.234,892 69.458,894 6.046,895 119.4,896 234.253,897 84.234,899 55.548,900 100.808,901 90.826,902 28.689,903 3.266,904 164.795,906 164.795,907 203.634,908 69.458,909 6.046,911 164.795,912 69.458,915 72.211,916 114.76,917 22.709,919 164.795,920 153.692,921 125.446,923 6.046,924 164.795,925 24.637,926 94.762,927 34.674,928 119.018,929 164.795,930 153.692,931 125.446,933 0.584,934 0.349,935 0.197,936 0.104,937 23,938 10,939 0.102,940 5,941 2,942 1.211,943 3.836,944 255.96,945 0.211,946 19,947 130.606,950 1,951 18.479,952 7.266,953 3.382,954 2.445,955 137.029,956 17.415,957 4.061,958 2.756,961 0.604,963 67.571,964 443.933,965 44.5,968 -3.879,970 38.549,974 -0.233,975 46.651,976 51.448,977 0.314,978 0.649,979 0.8,980 0.915,981 0.953,982 0.969,983 5.058,984 1.497,985 5.932,986 4.45,987 4.511,988 5.207,989 3.197,990 6.843,991 4.424,992 6.326,993 1.261,994 7.557,995 3.661,996 4.29,997 5.33,998 1.593,999 8.143,1000 4.07,1001 7.698,1002 1.158,1003 9.305,1004 3.061,1005 6.229,1006 7.636,1007 5.134,1008 11.283,1009 5.997,1010 9.119,1011 1.012,1012 11.132,1013 2.78,1014 6.868,1015 8.611,1016 3.032,1017 13.459,1018 6.46,1019 10.58,1020 0.745,1021 13.012,1022 1.825,1023 8.326,1024 10.434,1025 7.226,1026 16.227,1027 7.887,1028 12.071,1029 0.561,1030 14.931,1031 1.701,1032 9.332,1033 11.766,1034 4.409,1035 18.71,1036 8.715,1037 13.586,1038 -0.135,1039 16.878,1040 1.362,1041 10.637,1042 13.426,1043 9.364,1044 21.389,1045 9.951,1046 3.605,1047 -0.439,1048 18.847,1049 -0.321,1050 11.796,1051 14.907,1052 5.75,1053 23.98,1054 10.944,1055 3.002,1056 14.27,1057 20.832,1058 -0.957,1059 13.06,1060 16.513,1061 11.518,1062 26.639,1063 12.108,1064 2.733,1065 10.324,1066 22.831,1067 5.026,1068 14.281,1069 18.056,1070 7.068,1071 29.27,1072 13.175,1073 2.481,1074 9.009,1075 24.84,1076 4.432,1077 15.54,1078 19.648,1079 13.678,1080 31.925,1081 14.314,1082 2.019,1083 7.231,1084 26.857,1085 4.07,1086 16.789,1087 21.219,1088 8.374,1089 34.572,1090 15.417,1091 1.818,1092 5.827,1093 28.881,1094 3.164,1095 18.052,1096 22.81,1097 15.84,1098 37.228,1099 16.55,1100 1.618,1101 5.371,1102 30.91,1103 2.689,1104 19.314,1105 24.395,1106 9.674,1107 39.881,1108 17.67,1109 8744,1110 15265,1111 20.572,1112 32.364,1113 47.269,1114 49.326,1115 48.808,1116 47.103,1117 47.021,1118 66.66,1119 10.012,1120 141.742,1121 45.246,1122 5.897,1123 7.365,1124 7.564,1125 5.639,1126 5.605,1127 8.026,1128 5.9,1129 22.937,1130 5.179,1131 13.384,1132 1.525,1133 1.591,1134 1.574,1135 1.519,1136 1.517,1137 2.15,1138 0.323,1139 4.572,1140 1.46,1141 4.23,1142 4.229,1143 4.768,1144 4.218,1145 7.715,1146 4.158,1147 4.038,1148 4.066,1149 4.003,1150 3.969,1151 7.429,1152 3.972,1153 3.746,1154 3.764,1155 3.917,1156 3.695,1157 6.999,1158 3.618,1159 3.642,1160 3.651,1161 3.576,1162 3.461,1163 5.05,1164 3.468,1165 3.411,1166 3.465,1167 3.316,1168 3.325,1169 5.002,1170 3.305,1171 3.312,1172 3.369,1173 3.238,1174 3.078,1175 4.871,1176 3.095,1177 3.065,1178 3.141,1179 2.942,1180 2.86,1181 4.423,1182 2.855,1183 2.936,1184 2.988,1185 2.837,1186 2.753,1187 4.315,1188 2.749,1189 0.163,1190 0.173,1191 0.251,1192 0.145,1193 0.116,1194 5.057,1195 0.162,1196 5.365,1197 0.095,1198 7.792,1199 0.46,1200 4.484,1201 0.103,1202 3.605,1203 5.026,1204 2.95,1205 14.27,1206 3.179,1207 2.109,1208 2.113,1209 2.145,1210 2.143,1211 1.352,1212 2.17,1213 1.941,1214 1.923,1215 2.012,1216 2.032,1217 1.17,1218 2.031,1219 1.644,1220 1.663,1221 1.835,1222 1.834,1223 1.049,1224 1.839,1225 1.594,1226 1.539,1227 1.66,1228 1.76,1229 0.822,1230 1.786,1231 1.412,1232 1.378,1233 1.419,1234 1.57,1235 0.613,1236 1.577,1237 1.176,1238 1.099,1239 1.325,1240 1.479,1241 0.343,1242 1.464,1243 1.033,1244 0.983,1245 1.235,1246 1.307,1247 0.304,1248 1.294,1249 0.891,1250 0.828,1251 1.133,1252 1.104,1253 0.165,1254 1.132,1255 4.143,1257 5.493,1258 2.398,1259 7.052,1260 4.727,1261 8.711,1262 6.862,1263 10.424,1269 5.393,1271 0.422,1272 2.717,1280 31.105,1281 79.832,1282 164.89,1283 203.355,1284 232.574,1285 242.084,1286 246.084,1287 61.237,1288 7.799,1289 117.94,1290 126.32,1291 23,1292 12.821,1293 4.644,1294 3.858,1295 42.292,1296 100,1297 129,1298 0.207,1299 194.067,1300 324,1301 465.282,1302 26431,1304 19.725,1305 0.704,1306 0.559,1307 19.975,1308 15.662,1309 13.502,1310 0.436,1311 0.329,1312 8.743,1313 12.331,1314 8.46,1315 6.999,1316 14.291,1317 10.197,1318 12.484,1319 0.277,1320 0.182,1321 13.765,1322 8.19,1323 10.525,1324 0.17,1325 0.101,1326 11.839,1327 6.232,1328 9.273,1329 0.109,1330 0.056,1331 10.638,1332 4.727,1333 7.279,1334 0.068,1335 0.032,1336 8.586,1337 3.38,1338 0.318,1339 92.148,1340 0.22,1341 26.306,1342 0.59,1343 152,1344 463.69,1345 204.601,1346 473.871,1347 644.89,1348 436,1349 183,1350 450.517,1351 244.976,1352 493.368,1353 725.32,1354 464,1355 5.301} {0 CHEMBL1642866,1 1.673,2 11.581,3 3.235,4 10.465,5 119.882,6 8.199,7 0.6,8 4.091,9 4.194,10 3.872,11 3.722,12 5.161,13 3.677,14 4.641,15 4.778,16 4.215,17 4.143,18 5.868,19 4.086,20 4.942,21 5.134,22 4.342,23 4.294,24 6.077,25 4.203,26 4.99,27 5.183,28 4.322,29 4.239,30 6.24,31 4.16,32 4.894,33 5.078,34 4.202,35 4.112,36 6.219,37 4.06,38 4.76,39 4.934,40 4.044,41 4.054,42 6.023,43 3.999,44 4.74,45 4.938,46 3.985,47 4.044,48 5.854,49 3.959,50 4.707,51 4.922,52 3.887,53 3.975,54 5.907,55 3.865,56 0.119,57 0.815,58 11.998,59 5.26,60 18.293,61 5.902,62 0.278,63 1.338,64 19.654,65 8.71,66 53.295,67 10.606,68 0.396,69 1.722,70 32.516,71 12.531,72 61.417,73 15.28,74 0.527,75 1.741,76 37.672,77 13.178,78 81.594,79 15.014,80 0.654,81 1.543,82 34.797,83 11.54,84 103.383,85 12.702,86 0.498,87 1.388,88 26.911,89 9.579,90 76.973,91 11.051,92 0.405,93 1.366,94 24.806,95 9.603,96 64.132,97 12.192,98 0.44,99 1.337,100 25.084,101 9.472,102 90.644,103 12.252,104 10,105 51,106 0.273,107 0.593,108 0.734,109 0.824,110 0.853,111 0.865,112 3.472,113 1.007,114 -3.88,115 -3.83,116 -3.64,119 43.4,121 2,122 1,125 2,140 10,141 3,142 2,145 1,150 1,156 1,166 1,169 13,171 1,172 2,174 1,176 7,178 14,181 2,182 10,186 7,189 11,193 13,195 2,199 9,203 13,206 2,207 2,208 2,211 13,215 7,218 2,220 3,222 12,225 1,226 2,229 1,231 8,233 9,236 2,237 4,242 8,244 7,249 6,254 3,256 6,259 1580,260 21.117,261 21.117,262 21.117,263 21.117,264 21.117,265 18.384,266 19.906,267 12.351,268 21.557,269 17.293,270 17.293,271 17.293,272 17.293,273 17.293,274 13.035,275 27.515,276 5.847,277 18.016,278 4.055,279 2.084,280 1.221,281 0.67,282 0.491,283 0.415,284 4.18,288 1,289 1,290 798,291 3.742,294 66.473,295 331.058,298 120.13,299 130.069,302 1.788,303 42.566,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 359,316 5.057,317 5.365,318 7.792,319 4.484,320 3.605,321 5.026,322 2.95,323 14.27,324 3.18,325 4.481,326 3.714,327 6.587,328 3.987,329 3.006,330 4.432,331 1.907,332 10.325,333 2.947,334 4.242,335 3.346,336 6.189,337 3.816,338 2.82,339 4.07,340 0.4,341 9.028,342 2.803,343 3.982,344 2.839,345 6.043,346 3.668,347 2.694,348 3.242,349 0.149,350 8.644,351 2.57,352 3.574,353 2.534,354 5.359,355 3.215,356 2.25,357 2.886,359 6.705,360 2.167,361 3.291,362 2.319,363 5.214,364 2.796,365 1.831,366 2.648,368 5.795,369 1.757,370 3.118,371 2.21,372 4.627,373 2.684,374 1.709,375 2.427,377 4.457,378 1.657,379 3.054,380 1.618,381 4.238,382 2.618,383 1.618,384 2.309,386 3.953,387 1.618,388 2.905,389 1.609,390 4.162,391 2.486,392 1.497,393 1.909,395 3.655,396 1.478,397 2.761,398 1.516,399 3.935,400 2.26,401 1.262,402 1.889,404 3.063,405 1.259,406 2.64,407 1.315,408 3.586,409 2.129,410 1.167,411 1.692,413 2.781,414 1.118,415 2.241,416 1.229,417 3.455,418 1.996,419 1.018,420 1.143,422 2.468,423 0.987,424 2.19,425 1.077,426 3.353,427 1.984,428 1,429 1.093,431 2.136,432 0.983,433 2.059,434 1.002,435 3.247,436 1.731,437 0.744,438 1,440 1.782,441 0.731,442 2,443 0.666,444 3.215,445 1.531,446 0.554,447 0.822,449 1.395,450 0.539,451 14.933,452 0.482,453 0.807,454 0.026,455 42.75,456 1.379,457 23,458 0.742,459 19.75,460 0.637,461 24.75,462 0.798,463 32.467,464 0.613,465 34.586,466 1.116,467 8.074,468 0.26,469 6.963,470 0.225,471 0.067,472 0.056,473 0.301,479 0.551,480 1.053,481 0.806,482 1.036,483 0.591,484 0.849,485 0.632,486 1.141,487 0.809,488 1.002,489 0.565,490 0.977,491 0.825,492 1.036,493 0.913,494 1.001,495 0.792,496 0.943,497 1.272,498 1.053,499 1.134,500 1.083,501 1.291,502 0.942,503 1.651,504 0.866,505 1.158,506 0.965,507 1.824,508 0.852,509 1.403,510 1.012,511 1.12,512 0.971,513 1.442,514 0.969,515 0.872,516 1.042,517 0.837,518 0.938,519 0.933,520 1.024,521 0.638,522 1.093,523 0.927,524 1.01,525 0.465,526 1.078,527 6,528 0.158,529 4.444,530 2.785,531 2.183,532 1.104,533 0.645,534 0.502,535 0.317,536 0.211,537 13148,538 34190,539 2.151,540 41.5,542 14,545 3,546 1,547 4,550 1.739,551 2.033,552 3.491,553 0.876,555 1,559 88.675,560 1.673,561 3.643,562 4.507,563 5.058,564 5.237,565 5.313,566 2.927,567 4.632,568 4.925,569 3.64,570 1692.68,571 8.614,572 23361.9,574 1,577 303.58,578 1.459,579 4.889,580 0.171,581 0.007,582 0.087,583 0.052,584 0.042,585 0.023,586 0.015,587 0.013,588 0.009,589 0.007,590 0.425,591 0.33,592 0.88,593 0.486,594 159.484,595 0.069,596 0.103,597 0.173,598 0.05,599 -0.093,600 0.081,601 0.132,602 -0.07,603 0.051,604 -0.025,605 0.144,606 -0.045,607 0.052,608 -0.022,609 0.117,610 0.033,611 0.054,612 0.043,613 -0.049,614 -0.044,615 0.023,616 -0.013,617 -0.006,618 0.028,619 -0.142,620 0.12,621 -0.032,622 0.069,623 -0.135,624 0.09,625 -0.16,626 0.004,627 -0.173,628 -0.021,629 -0.13,630 -0.048,631 0.015,632 -0.065,633 -0.007,634 -0.035,635 -0.068,636 -0.06,637 0.162,638 -0.102,639 -0.023,640 -0.074,641 0.241,642 -0.096,643 4.795,644 6.527,645 0.806,646 30.158,647 1.008,648 1.118,649 2.645,650 6.998,651 0.696,652 3.584,653 3.951,654 4.277,655 4.575,656 4.812,657 4.883,658 5.043,659 5.198,660 5.293,661 5.371,662 6.733,663 0.663,664 434.56,665 3.584,666 5.153,667 6.033,668 6.94,669 7.839,670 8.753,671 9.66,672 10.578,673 11.49,674 12.412,675 7.5,677 1,682 1,683 1,685 1,687 4,688 10,689 1,690 1,693 3,695 21,714 53,716 24,717 3,718 35,720 57,721 23,722 17,723 6,724 10,730 5,731 7,740 2,741 1,743 2,745 18,746 5,747 1,750 3,753 1,755 3,759 1,761 1,764 22,765 6,766 3,767 8,768 1,773 4,777 0.6,778 3,784 1,792 1,793 4,796 1,797 1,805 1,814 1,819 3,821 1,827 31,829 1,833 4,834 2,837 1,847 5.7,850 3,854 15.25,855 9.283,856 6.639,857 3.218,858 4.341,859 1.526,860 1.051,861 5.165,862 12.593,863 3.902,864 4.582,865 5.232,866 5.891,867 6.47,868 6.852,869 7.315,870 7.773,871 8.088,872 8.391,873 0.875,874 54,875 11.854,877 5.611,878 7.858,879 22.053,881 19.215,883 2.358,884 73.083,887 1,888 223.651,889 130.086,890 69.348,892 69.458,894 6.046,895 124.04,896 293.109,897 69.348,899 27.291,900 118.819,901 90.826,902 28.689,903 3.266,904 223.651,906 223.651,907 193.388,908 69.458,909 6.046,911 176.567,912 116.542,915 61.965,916 114.76,917 22.709,919 223.651,920 138.805,921 130.086,923 6.046,924 223.651,925 29.278,926 94.762,927 52.685,928 86.121,929 223.651,930 138.805,931 130.086,933 0.59,934 0.357,935 0.198,936 0.107,937 27,938 11,939 0.07,940 4,941 2,942 1.16,943 4.17,944 299.198,945 0.16,946 25,947 145.58,950 1,951 20.044,952 7.989,953 3.687,954 2.546,955 122.142,956 17.749,957 4.126,958 2.806,961 0.728,963 52.685,964 492.542,965 48.5,968 -3.878,970 39.665,974 -0.039,975 53.418,976 59.278,977 0.292,978 0.636,979 0.787,980 0.883,981 0.914,982 0.928,983 5.155,984 1.618,985 6.052,986 4.457,987 4.635,988 5.27,989 3.21,990 6.952,991 4.552,992 6.405,993 1.497,994 7.67,995 3.953,996 4.369,997 5.359,998 1.593,999 8.214,1000 4.167,1001 7.768,1002 1.262,1003 9.409,1004 3.655,1005 6.34,1006 7.666,1007 5.134,1008 11.353,1009 6.129,1010 9.179,1011 1.167,1012 11.227,1013 3.063,1014 6.948,1015 8.629,1016 3.032,1017 13.503,1018 6.58,1019 10.633,1020 1.018,1021 13.098,1022 2.781,1023 8.419,1024 10.449,1025 7.226,1026 16.262,1027 8.023,1028 12.118,1029 1,1030 15.007,1031 2.468,1032 9.402,1033 11.776,1034 4.409,1035 18.731,1036 8.844,1037 13.627,1038 0.744,1039 16.944,1040 2.136,1041 10.708,1042 13.433,1043 9.364,1044 21.404,1045 10.085,1046 3.605,1047 0.554,1048 18.904,1049 1.782,1050 11.85,1051 14.912,1052 5.75,1053 23.989,1054 11.071,1055 3.006,1056 14.27,1057 20.88,1058 1.395,1059 13.11,1060 16.516,1061 11.518,1062 26.645,1063 12.234,1064 2.82,1065 10.325,1066 22.871,1067 5.026,1068 14.32,1069 18.058,1070 7.068,1071 29.274,1072 13.294,1073 2.694,1074 9.028,1075 24.873,1076 4.432,1077 15.574,1078 19.649,1079 13.678,1080 31.928,1081 14.429,1082 2.25,1083 8.644,1084 26.884,1085 4.07,1086 16.816,1087 21.22,1088 8.374,1089 34.573,1090 15.524,1091 1.831,1092 6.705,1093 28.903,1094 3.242,1095 18.075,1096 22.811,1097 15.84,1098 37.229,1099 16.652,1100 1.709,1101 5.795,1102 30.928,1103 2.886,1104 19.333,1105 24.396,1106 9.674,1107 39.881,1108 17.764,1109 12161,1110 19835,1111 23.75,1112 36.887,1113 53.623,1114 55.977,1115 54.574,1116 53.626,1117 53.547,1118 73.178,1119 10.812,1120 160.913,1121 51.589,1122 6.057,1123 7.365,1124 7.594,1125 5.639,1126 5.605,1127 8.026,1128 5.9,1129 22.937,1130 5.18,1131 11.964,1132 1.532,1133 1.599,1134 1.559,1135 1.532,1136 1.53,1137 2.091,1138 0.309,1139 4.598,1140 1.474,1141 4.231,1142 4.23,1143 4.768,1144 4.219,1145 7.715,1146 4.159,1147 4.039,1148 4.067,1149 4.004,1150 3.969,1151 7.428,1152 3.973,1153 3.869,1154 3.924,1155 3.921,1156 3.735,1157 6.999,1158 3.72,1159 3.709,1160 3.683,1161 3.742,1162 3.666,1163 5.048,1164 3.596,1165 3.445,1166 3.506,1167 3.368,1168 3.33,1169 4.872,1170 3.315,1171 3.374,1172 3.402,1173 3.31,1174 3.15,1175 4.434,1176 3.175,1177 3.165,1178 3.229,1179 3.086,1180 2.941,1181 4.347,1182 2.957,1183 3.111,1184 3.206,1185 2.866,1186 2.938,1187 4.315,1188 2.91,1189 0.144,1190 0.153,1191 0.223,1192 0.128,1193 0.103,1194 5.057,1195 0.144,1196 5.365,1197 0.084,1198 7.792,1199 0.408,1200 4.484,1201 0.091,1202 3.605,1203 5.026,1204 2.95,1205 14.27,1206 3.18,1207 2.109,1208 2.113,1209 2.145,1210 2.144,1211 1.391,1212 2.17,1213 1.945,1214 1.925,1215 2.051,1216 2.053,1217 1.352,1218 2.054,1219 1.824,1220 1.773,1221 1.992,1222 1.982,1223 1.164,1224 1.993,1225 1.635,1226 1.656,1227 1.66,1228 1.76,1229 0.825,1230 1.787,1231 1.413,1232 1.378,1233 1.513,1234 1.59,1235 0.823,1236 1.58,1237 1.263,1238 1.2,1239 1.445,1240 1.535,1241 0.617,1242 1.527,1243 1.153,1244 1.064,1245 1.398,1246 1.376,1247 0.592,1248 1.429,1249 1.086,1250 1.029,1251 1.254,1252 1.346,1253 0.322,1254 1.344,1255 4.263,1257 5.617,1258 2.398,1259 7.18,1260 4.727,1261 8.837,1262 6.862,1263 10.543,1271 3.236,1272 6.186,1275 -0.041,1280 35.158,1281 88.675,1282 193.102,1283 238.851,1284 268.07,1285 277.58,1286 281.58,1287 65.039,1288 8.252,1289 103.95,1290 112.33,1291 29,1292 12.921,1293 4.644,1294 3.858,1295 43.579,1296 124,1297 136,1298 0.17,1299 215.45,1300 363.54,1301 517.458,1302 49046,1304 21.424,1305 0.691,1306 0.567,1307 21.674,1308 17.576,1309 15.037,1310 0.43,1311 0.336,1312 10.283,1313 13.84,1314 9.985,1315 8.225,1316 15.826,1317 11.748,1318 13.965,1319 0.274,1320 0.189,1321 15.247,1322 9.617,1323 12.168,1324 0.171,1325 0.106,1326 13.482,1327 7.554,1328 10.514,1329 0.11,1330 0.059,1331 11.88,1332 5.701,1333 8.556,1334 0.07,1335 0.034,1336 9.863,1337 4.118,1338 0.265,1339 101.502,1340 0.205,1341 28.858,1342 0.475,1343 172,1344 488.711,1345 225.294,1346 497.814,1347 682.51,1348 460,1349 208,1350 481.221,1351 271.308,1352 524.408,1353 773.44,1354 494,1355 5.873} {0 CHEMBL1642882,1 1.808,2 10.077,3 2.886,4 8.329,5 103.764,6 8.687,7 0.552,8 3.93,9 4.036,10 3.771,11 3.555,12 4.963,13 3.499,14 4.489,15 4.633,16 4.117,17 3.969,18 5.717,19 3.902,20 4.785,21 4.989,22 4.19,23 4.102,24 5.884,25 3.987,26 4.811,27 5.028,28 4.17,29 4.019,30 6.01,31 3.916,32 4.636,33 4.834,34 4.051,35 3.904,36 5.9,37 3.827,38 4.573,39 4.773,40 3.867,41 3.873,42 5.703,43 3.776,44 4.545,45 4.762,46 3.838,47 3.827,48 5.559,49 3.702,50 4.423,51 4.637,52 3.682,53 3.67,54 5.446,55 3.538,56 0.124,57 0.711,58 9.977,59 4.464,60 17.016,61 4.992,62 0.263,63 1.156,64 16.806,65 7.356,66 46.704,67 8.926,68 0.447,69 1.444,70 32.92,71 10.963,72 49.543,73 13.136,74 0.601,75 1.372,76 36.503,77 11.089,78 80.051,79 12.856,80 0.541,81 1.166,82 28.567,83 9.185,84 72.901,85 10.971,86 0.412,87 1.135,88 22.802,89 8.309,90 49.898,91 10.387,92 0.35,93 1.074,94 24.387,95 8.371,96 48.138,97 10.46,98 0.317,99 0.985,100 24.251,101 7.53,102 40.149,103 8.66,104 10,105 42,106 0.309,107 0.639,108 0.779,109 0.854,110 0.854,111 0.854,112 3.305,113 1.072,114 -3.83,115 -3.79,116 -3.6,119 40,121 2,125 2,127 1,140 7,141 1,142 3,144 1,151 1,166 1,169 4,171 1,172 2,176 7,178 8,182 8,184 2,186 4,189 4,192 2,193 4,196 1,197 3,199 7,203 8,206 1,207 1,208 1,211 7,215 3,218 2,220 4,222 5,226 4,231 6,233 5,237 4,242 1,244 3,252 1,253 1,254 2,256 6,259 998,260 17.496,261 17.496,262 17.496,263 17.496,264 17.496,265 15.403,266 21.729,267 10.262,268 18.11,269 14.34,270 14.34,271 14.34,272 14.34,273 14.34,274 11.102,275 34.608,276 4.905,277 15.411,278 3.684,279 1.746,280 0.926,281 0.489,282 0.489,283 0.489,284 4,285 1,288 1,289 1,290 572,291 3.24,294 56.425,295 229.906,298 101.737,302 1.55,303 34.021,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.333,315 262,316 5.024,317 5.359,318 7.736,319 4.442,320 3.57,321 4.97,322 2.95,323 13.99,324 3.123,325 4.397,326 3.293,327 6.429,328 3.881,329 2.919,330 4.281,331 0.4,332 9.782,333 2.76,334 3.859,335 2.91,336 5.582,337 3.551,338 2.593,339 3.418,340 0.4,341 7.61,342 2.483,343 3.736,344 2.798,345 5.449,346 3.308,347 2.396,348 3.092,350 6.741,351 2.157,352 3.345,353 2.538,354 5.009,355 3.085,356 2.119,357 2.488,359 5.983,360 2.029,361 3.179,362 2.189,363 4.956,364 2.673,365 1.745,366 2.4,368 5.316,369 1.594,370 2.944,371 1.707,372 4.422,373 2.386,374 1.434,375 2.117,377 3.975,378 1.331,379 2.663,380 1.512,381 3.955,382 2.351,383 1.414,384 1.736,386 3.104,387 1.306,388 2.59,389 1.331,390 3.592,391 2.144,392 1.172,393 1.609,395 2.928,396 1.127,397 2.437,398 1.077,399 3.478,400 2.033,401 1.05,402 1.433,404 2.497,405 1.031,406 2.064,407 1.074,408 3.268,409 1.984,410 1,411 1,413 2.136,414 0.983,415 2,416 0.747,417 3.247,418 1.553,419 0.587,420 0.851,422 1.481,423 0.564,424 1.186,425 0.323,426 2.888,427 0.94,428 -0.011,429 -0.012,431 -0.029,432 -0.01,433 1,434 0.206,435 2.799,436 0.419,437 -0.403,438 -0.509,440 -0.895,441 -0.255,442 0.943,443 0.057,444 2.509,445 0.333,446 -0.629,447 -0.74,449 -1.508,450 -0.597,451 12.814,452 0.493,453 0.721,454 0.028,455 34.25,456 1.317,457 17.5,458 0.673,459 16.75,460 0.644,461 21.048,462 0.81,463 27.986,464 0.622,465 25.224,466 0.97,467 6.368,468 0.245,469 6.169,470 0.237,471 0.108,472 0.065,473 0.273,479 0.568,480 1.127,481 0.71,482 1.022,483 0.63,484 0.846,485 0.73,486 1.242,487 0.716,488 0.962,489 0.573,490 0.958,491 0.859,492 1.083,493 1.009,494 1.071,495 0.719,496 0.974,497 1.184,498 0.916,499 0.812,500 0.864,501 1.323,502 0.861,503 0.954,504 0.906,505 0.844,506 0.955,507 1.089,508 0.876,509 0.831,510 1.047,511 0.809,512 0.959,513 0.909,514 1.02,515 0.917,516 1.061,517 0.916,518 0.946,519 0.875,520 1.016,521 1.17,522 1.165,523 1.243,524 1.188,525 0.999,526 1.106,527 6,528 0.066,529 3.333,530 2.222,531 1.689,532 0.74,533 0.588,534 0.402,535 0.252,536 0.122,537 7878,538 22632,539 2.115,540 42.2,542 12,545 3,548 4,550 1.693,551 1.987,552 3.324,553 1.012,554 1,555 1,559 81.364,560 1.808,561 3.745,562 4.566,563 5.003,564 5.003,565 5.003,566 2.763,567 4.47,568 4.67,569 3.453,570 1122.25,571 8.105,572 13632.5,574 1,576 1,577 247.133,578 1.508,579 4.629,580 0.207,581 0.005,582 0.079,583 0.053,584 0.043,585 0.02,586 0.018,587 0.014,588 0.01,589 0.006,590 0.456,591 0.33,592 1,593 0.54,594 125.892,595 0.067,596 0.09,597 0.126,598 0.037,599 -0.119,600 0.075,601 0.064,602 -0.136,603 0.047,604 -0.021,605 0.193,606 -0.041,607 0.02,608 -0.045,609 0.002,610 -0.024,611 0.09,612 0.007,613 -0.019,614 0.054,615 0.124,616 0.115,617 0.003,618 0.101,619 0.138,620 0.054,621 0.098,622 0.009,623 0.128,624 0.094,625 0.045,626 -0.049,627 -0.035,628 -0.053,629 -0.004,630 -0.068,631 -0.062,632 -0.095,633 0.004,634 -0.007,635 -0.083,636 -0.032,637 -0.205,638 -0.115,639 -0.177,640 -0.135,641 -0.118,642 -0.139,643 4.652,644 6.004,645 0.808,646 22.396,647 1.012,648 1.124,649 2.6,650 6.76,651 0.701,652 3.401,653 3.761,654 4.043,655 4.317,656 4.543,657 4.595,658 4.736,659 4.868,660 4.927,661 5.004,662 5.954,663 0.661,664 390.93,665 3.401,666 4.963,667 5.826,668 6.725,669 7.61,670 8.516,671 9.413,672 10.323,673 11.226,674 12.14,675 8.9,677 1,680 1,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,707 1,713 1,714 45,716 18,717 2,718 29,720 48,721 18,722 13,723 5,724 7,730 4,731 5,732 1,740 3,743 3,745 13,746 5,750 2,753 1,755 2,761 1,764 19,765 5,766 3,767 8,768 2,773 4,777 0.75,778 2,784 1,792 1,793 3,796 1,814 1,819 3,821 1,824 1,827 26,829 1,833 4,834 2,837 1,846 1,847 4.4,850 2,854 13.083,855 7.76,856 5.556,857 2.691,858 3.059,859 1.407,860 1.032,861 4.822,862 10.576,863 3.689,864 4.353,865 4.955,866 5.571,867 6.118,868 6.466,869 6.877,870 7.262,871 7.491,872 7.818,873 0.857,874 42,875 9.907,877 4.633,878 7.841,879 18.498,881 15.992,883 2.341,884 60.861,887 1,888 188.338,889 95.307,890 69.348,891 39.149,892 44.313,894 6.046,895 89.261,896 271.799,897 69.348,899 9.28,900 90.39,901 78.987,902 30.31,904 188.338,905 39.149,906 188.338,907 158.609,908 44.313,909 45.195,911 141.253,912 91.397,915 47.22,916 76.715,917 79.868,919 188.338,920 113.66,921 134.456,923 6.046,924 188.338,925 22.928,926 66.334,927 52.685,928 100.125,929 188.338,930 113.66,931 134.456,933 0.591,934 0.344,935 0.185,936 0.102,937 22,938 9,939 0.083,940 4,941 1,942 1.095,943 3.763,944 227.599,945 0.095,946 21,947 116.211,950 1,951 17.65,952 7.103,953 3.573,954 1.186,955 96.997,956 11.849,957 4.146,958 2.684,961 1.507,963 52.685,964 436.454,965 39,968 -3.735,970 26.008,975 45.531,976 50.598,977 0.329,978 0.682,979 0.831,980 0.911,981 0.911,982 0.911,983 4.942,984 1.414,985 5.849,986 3.975,987 4.443,988 5.04,989 2.947,990 6.732,991 4.3,992 6.188,993 1.172,994 7.459,995 3.104,996 4.205,997 5.156,999 8.009,1000 3.868,1001 7.551,1002 1.05,1003 9.192,1004 2.928,1005 6.142,1006 7.421,1007 5.028,1008 11.122,1009 5.815,1010 8.962,1011 1,1012 11.006,1013 2.497,1014 6.758,1015 8.404,1017 13.298,1018 6.208,1019 10.417,1020 0.587,1021 12.877,1022 2.136,1023 8.219,1024 10.204,1025 7.185,1026 16.048,1027 7.65,1028 11.904,1029 -0.011,1030 14.79,1031 1.481,1032 9.207,1033 11.544,1035 18.531,1036 8.423,1037 13.416,1038 -0.403,1039 16.735,1040 -0.029,1041 10.512,1042 13.193,1043 9.348,1044 21.195,1045 9.663,1046 3.57,1047 -0.629,1048 18.702,1049 -0.895,1050 11.659,1051 14.679,1053 23.778,1054 10.617,1055 2.919,1056 13.99,1057 20.687,1058 -1.508,1059 12.921,1060 16.28,1061 11.511,1062 26.421,1063 11.776,1064 2.593,1065 9.782,1066 22.686,1067 4.97,1068 14.135,1069 17.825,1071 29.039,1072 12.817,1073 2.396,1074 7.61,1075 24.696,1076 4.281,1077 15.39,1078 19.414,1079 13.675,1080 31.677,1081 13.946,1082 2.119,1083 6.741,1084 26.713,1085 3.418,1086 16.632,1087 20.985,1089 34.307,1090 15.029,1091 1.745,1092 5.983,1093 28.736,1094 3.092,1095 17.89,1096 22.573,1097 15.838,1098 36.945,1099 16.151,1100 1.434,1101 5.316,1102 30.764,1103 2.488,1104 19.146,1105 24.156,1107 39.58,1108 17.255,1109 7458,1110 12888,1111 19.474,1112 31.529,1113 44.202,1114 45.596,1115 44.73,1116 44.28,1117 43.998,1118 58.789,1119 7.5,1120 131.088,1121 40.975,1122 6.024,1123 7.359,1124 7.538,1125 5.591,1126 5.57,1127 7.97,1128 5.9,1129 22.409,1130 5.123,1131 10.782,1132 1.524,1133 1.572,1134 1.542,1135 1.527,1136 1.517,1137 2.027,1138 0.259,1139 4.52,1140 1.413,1141 4.205,1142 4.208,1143 4.767,1144 4.182,1145 7.715,1146 4.116,1147 3.936,1148 3.95,1149 3.986,1150 3.879,1151 6.999,1152 3.862,1153 3.829,1154 3.893,1155 3.899,1156 3.677,1157 5.055,1158 3.671,1159 3.593,1160 3.587,1161 3.69,1162 3.54,1163 4.92,1164 3.473,1165 3.302,1166 3.349,1167 3.286,1168 3.068,1169 4.499,1170 3.083,1171 3.111,1172 3.206,1173 3.204,1174 2.941,1175 4.313,1176 2.91,1177 3.038,1178 3.134,1179 2.889,1180 2.819,1181 4.288,1182 2.815,1183 2.878,1184 2.922,1185 2.866,1186 2.79,1187 3.85,1188 2.764,1189 0.173,1190 0.185,1191 0.267,1192 0.153,1193 0.123,1194 5.024,1195 0.171,1196 5.359,1197 0.102,1198 7.736,1199 0.482,1200 4.442,1201 0.108,1202 3.57,1203 4.97,1204 2.95,1205 13.99,1206 3.123,1207 2.008,1208 2.025,1209 2.059,1210 2.069,1211 1.384,1212 2.093,1213 1.897,1214 1.872,1215 1.972,1216 2.007,1217 1.246,1218 2.034,1219 1.782,1220 1.724,1221 1.938,1222 1.923,1223 1.077,1224 1.934,1225 1.533,1226 1.54,1227 1.513,1228 1.723,1229 0.825,1230 1.719,1231 1.153,1232 1.064,1233 1.462,1234 1.43,1235 0.701,1236 1.429,1237 1.138,1238 1.061,1239 1.366,1240 1.376,1241 0.559,1242 1.421,1243 1.007,1244 0.953,1245 1.128,1246 1.283,1247 0.243,1248 1.29,1249 0.867,1250 0.824,1251 1.059,1252 1.017,1253 0.165,1254 1.057,1255 4.078,1257 5.425,1258 2.398,1259 6.973,1260 4.727,1261 8.609,1262 6.862,1263 10.294,1266 5.959,1271 4.05,1272 6.825,1275 0.383,1280 29.744,1281 81.364,1282 168.546,1283 205.482,1284 225.133,1285 225.133,1286 225.133,1287 50.089,1288 7.517,1289 86.88,1290 95.26,1291 23,1292 12.655,1293 4.248,1294 3.459,1295 37.956,1296 91,1297 98,1298 0.204,1299 188.001,1300 314.64,1301 450.482,1302 18590,1303 2.2,1304 18.148,1305 0.698,1306 0.599,1307 18.898,1308 15.57,1309 12.537,1310 0.432,1311 0.357,1312 8.561,1313 11.081,1314 8.263,1315 6.795,1316 13.614,1317 10.361,1318 11.817,1319 0.281,1320 0.208,1321 13.525,1322 8.737,1323 9.858,1324 0.176,1325 0.117,1326 11.434,1327 6.562,1328 8.263,1329 0.112,1330 0.066,1331 9.783,1332 4.885,1333 6.711,1334 0.072,1335 0.038,1336 8.27,1337 3.54,1338 0.314,1339 89.1,1340 0.227,1341 24.872,1342 0.575,1343 142,1344 409.179,1345 208.599,1346 449.709,1347 604.38,1348 414,1349 169,1350 399.166,1351 238.402,1352 449.888,1353 660.16,1354 423,1355 6.387} {0 CHEMBL1642886,1 1.598,2 11.321,3 3.416,4 11.668,5 113.15,6 7.381,7 0.516,8 4.082,9 4.204,10 3.785,11 3.674,12 5.056,13 3.607,14 4.657,15 4.829,16 4.115,17 4.09,18 5.778,19 4.01,20 4.95,21 5.169,22 4.205,23 4.248,24 5.97,25 4.123,26 5.029,27 5.268,28 4.104,29 4.199,30 6.142,31 4.074,32 4.883,33 5.128,34 3.964,35 4.08,36 5.897,37 3.952,38 4.752,39 4.979,40 3.933,41 4.022,42 5.767,43 3.893,44 4.699,45 4.901,46 3.873,47 3.964,48 5.768,49 3.843,50 4.697,51 4.902,52 3.763,53 3.857,54 5.814,55 3.751,56 0.112,57 0.839,58 14.668,59 5.615,60 16.077,61 7.018,62 0.222,63 1.369,64 24.345,65 9.178,66 46.316,67 12.315,68 0.331,69 1.722,70 37.149,71 12.725,72 47.912,73 16.796,74 0.478,75 1.708,76 40.014,77 13.301,78 81.023,79 17.483,80 0.348,81 1.483,82 33.673,83 11.655,84 54.975,85 15.664,86 0.311,87 1.366,88 30.504,89 10.591,90 48.319,91 13.867,92 0.263,93 1.304,94 31.771,95 10.302,96 52.403,97 12.568,98 0.43,99 1.25,100 30.066,101 8.666,102 70.838,103 10.759,104 18,105 45,106 0.263,107 0.594,108 0.756,109 0.804,110 0.804,111 0.804,112 3.375,113 1.087,114 -4.01,115 -3.96,116 -3.76,119 38.9,120 2,121 2,122 1,125 2,127 1,140 7,141 2,142 2,144 1,151 1,166 1,169 9,171 1,172 2,176 7,178 12,182 8,184 2,186 4,189 10,192 2,193 6,196 1,197 3,199 10,203 6,206 1,207 1,208 2,211 8,215 6,218 2,220 3,222 5,226 7,231 7,233 6,237 5,242 4,244 6,249 2,252 1,253 1,254 1,256 8,259 1270,260 18.703,261 18.703,262 18.703,263 18.703,264 18.703,265 16.687,266 24.979,267 10.858,268 19.18,269 15.291,270 15.291,271 15.291,272 15.291,273 15.291,274 12.098,275 36.442,276 5.141,277 16.097,278 4.156,279 2.149,280 1.17,281 0.88,282 0.88,283 0.88,284 4.068,288 1,289 1,290 686,291 3.674,294 63.958,295 256.56,298 115.485,302 1.867,303 31.753,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 60,315 317,316 5.023,317 5.358,318 7.735,319 4.441,320 3.568,321 4.969,322 2.95,323 13.982,324 3.125,325 4.396,326 3.28,327 6.427,328 3.888,329 2.922,330 4.279,331 0.4,332 9.771,333 2.807,334 4.015,335 2.963,336 5.919,337 3.708,338 2.717,339 3.526,340 0.4,341 8.163,342 2.662,343 3.753,344 2.837,345 5.569,346 3.541,347 2.579,348 3.103,350 7.598,351 2.475,352 3.369,353 2.562,354 5.373,355 3.11,356 2.139,357 2.621,359 6.141,360 2.073,361 3.296,362 2.193,363 4.999,364 2.876,365 1.913,366 2.403,368 5.838,369 1.833,370 3.041,371 1.708,372 4.52,373 2.51,374 1.524,375 2.259,377 4.294,378 1.5,379 2.651,380 1.585,381 4.032,382 2.356,383 1.427,384 1.708,386 3.164,387 1.322,388 2.5,389 1.354,390 3.728,391 2.16,392 1.186,393 1.5,395 2.986,396 1.15,397 2.439,398 1.077,399 3.591,400 2.032,401 1.049,402 1.437,404 2.658,405 1.03,406 2.384,407 1.073,408 3.414,409 2,410 1,411 1.351,413 2.275,414 1,415 2.064,416 1,417 3.268,418 1.984,419 1,420 1,422 2.136,423 0.983,424 2,425 0.761,426 3.247,427 1.555,428 0.589,429 0.852,431 1.484,432 0.566,433 1.186,434 0.343,435 2.884,436 0.94,437 -0.01,438 -0.011,440 -0.027,441 -0.01,442 1,443 0.095,444 2.792,445 0.47,446 -0.499,447 -0.644,449 -1.191,450 -0.472,451 13.6,452 0.486,453 0.81,454 0.029,455 35,456 1.25,457 17.5,458 0.625,459 17.5,460 0.625,461 25.04,462 0.894,463 30.8,464 0.57,465 26.479,466 0.946,467 6.252,468 0.223,469 7.196,470 0.257,471 0.123,472 0.061,473 0.294,479 0.58,480 1.177,481 0.883,482 1.14,483 0.664,484 0.969,485 0.729,486 1.193,487 0.816,488 1.003,489 0.57,490 0.972,491 0.806,492 1.11,493 1.037,494 1.103,495 0.69,496 1.008,497 1.172,498 0.968,499 0.996,500 0.985,501 1.251,502 0.955,503 1.028,504 0.904,505 0.841,506 0.899,507 1.183,508 0.903,509 0.862,510 1.027,511 1.032,512 1.043,513 0.892,514 0.968,515 1.413,516 1.231,517 1.476,518 1.339,519 1.454,520 1.096,521 2.212,522 1.138,523 1.469,524 1.1,525 2.384,526 1.082,527 6.5,528 0.095,529 4,530 2.347,531 1.672,532 0.976,533 0.764,534 0.438,535 0.321,536 0.226,537 9776,538 22098,539 2.085,540 48.1,541 7,542 12,545 3,548 4,550 1.711,551 1.942,552 3.465,553 0.917,555 1,559 86.314,560 1.598,561 3.606,562 4.585,563 4.875,564 4.875,565 4.875,566 2.942,567 4.164,568 4.773,569 3.614,570 1366.01,571 8.308,572 17720.9,574 1,576 1,577 310.764,578 1.572,579 4.728,580 0.21,581 0.005,582 0.089,583 0.051,584 0.04,585 0.026,586 0.021,587 0.013,588 0.011,589 0.009,590 0.475,591 0.33,592 1,593 0.744,594 140.084,595 0.118,596 0.073,597 0.196,598 0.041,599 -0.13,600 0.069,601 0.129,602 -0.076,603 0.113,604 0.022,605 0.22,606 0.027,607 0.085,608 -0.051,609 0.048,610 -0.031,611 0.112,612 -0.008,613 0.03,614 0.004,615 0.02,616 -0.001,617 0.062,618 0.013,619 0.015,620 0.042,621 0.106,622 0.066,623 -0.04,624 0.082,625 0.083,626 -0.005,627 0.032,628 0.011,629 0.044,630 0.031,631 -0.17,632 -0.169,633 -0.2,634 -0.164,635 -0.084,636 -0.096,637 -0.437,638 -0.091,639 -0.315,640 -0.086,641 -0.379,642 -0.169,643 4.587,644 6.191,645 0.75,646 28.122,647 0.997,648 1.128,649 2.783,650 7.743,651 0.666,652 3.466,653 3.829,654 4.111,655 4.357,656 4.575,657 4.7,658 4.852,659 4.927,660 5.004,661 5.124,662 6.547,663 0.62,664 398.58,665 3.466,666 5.03,667 5.894,668 6.79,669 7.675,670 8.578,671 9.472,672 10.381,673 11.282,674 12.195,675 7.4,677 1,680 1,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,707 1,714 54,716 18,717 2,718 31,720 57,721 21,722 13,723 5,724 7,730 4,731 5,736 2,740 3,743 3,745 13,746 8,747 1,750 2,753 1,755 2,761 1,764 26,765 5,766 3,767 7,768 1,773 4,777 0.75,778 2,784 1,792 1,793 3,796 1,814 1,819 3,821 1,823 2,827 28,829 1,833 4,834 2,837 2,847 3.7,850 2,854 14.417,855 9.95,856 6,857 3.406,858 3.086,859 1.401,860 1.007,861 5.348,862 10.776,863 3.738,864 4.391,865 4.996,866 5.597,867 6.138,868 6.549,869 6.954,870 7.29,871 7.537,872 7.907,873 0.875,874 46,875 10.671,877 4.897,878 7.717,879 20.285,881 17.505,883 2.217,884 62.083,886 1,887 1,888 270.735,889 112.643,890 69.348,892 44.313,894 6.046,895 106.597,896 315.048,897 69.348,898 17.65,899 9.28,900 90.39,901 78.987,902 29.995,904 270.735,906 270.735,907 175.944,908 44.313,909 6.046,911 223.651,912 91.397,915 64.871,916 76.4,917 40.72,919 270.735,920 113.66,921 112.643,923 6.046,924 270.735,925 22.613,926 83.984,927 52.685,928 60.976,929 270.735,930 113.66,931 112.643,933 0.594,934 0.347,935 0.177,936 0.093,937 23,938 10,939 0.088,940 5,941 1,942 1.095,943 3.928,944 249.312,945 0.095,946 21,947 122.606,950 1,951 19.285,952 7.765,953 3.924,954 1.264,955 96.997,956 12.8,957 4.202,958 2.745,961 2.46,963 52.685,964 497.038,965 41,968 -3.67,970 26.383,975 53.858,976 60.899,977 0.278,978 0.627,979 0.797,980 0.847,981 0.847,982 0.847,983 4.997,984 1.427,985 5.922,986 4.294,987 4.511,988 5.078,989 2.947,990 6.804,991 4.408,992 6.24,993 1.186,994 7.535,995 3.164,996 4.29,997 5.19,999 8.074,1000 4.051,1001 7.6,1002 1.049,1003 9.27,1004 2.986,1005 6.213,1006 7.445,1007 5.028,1008 11.173,1009 5.954,1010 9.009,1011 1,1012 11.082,1013 2.658,1014 6.836,1015 8.428,1017 13.333,1018 6.4,1019 10.461,1020 1,1021 12.949,1022 2.275,1023 8.284,1024 10.221,1025 7.185,1026 16.071,1027 7.81,1028 11.945,1029 0.589,1030 14.855,1031 2.136,1032 9.269,1033 11.558,1035 18.543,1036 8.606,1037 13.453,1038 -0.01,1039 16.791,1040 1.484,1041 10.564,1042 13.203,1043 9.348,1044 21.201,1045 9.825,1046 3.568,1047 -0.499,1048 18.751,1049 -0.027,1050 11.703,1051 14.686,1053 23.779,1054 10.784,1055 2.922,1056 13.982,1057 20.728,1058 -1.191,1059 12.956,1060 16.285,1061 11.511,1062 26.419,1063 11.929,1064 2.717,1065 9.771,1066 22.719,1067 4.969,1068 14.163,1069 17.827,1071 29.035,1072 12.965,1073 2.579,1074 8.163,1075 24.722,1076 4.279,1077 15.411,1078 19.415,1079 13.675,1080 31.672,1081 14.084,1082 2.139,1083 7.598,1084 26.733,1085 3.526,1086 16.648,1087 20.984,1089 34.301,1090 15.159,1091 1.913,1092 6.141,1093 28.752,1094 3.103,1095 17.902,1096 22.572,1097 15.838,1098 36.937,1099 16.271,1100 1.524,1101 5.838,1102 30.776,1103 2.621,1104 19.153,1105 24.154,1107 39.571,1108 17.367,1109 9328,1110 14268,1111 20.572,1112 35.955,1113 47.476,1114 48.8,1115 48.16,1116 47.33,1117 47.226,1118 62.014,1119 7.5,1120 140.979,1121 45.048,1122 6.023,1123 7.358,1124 7.537,1125 5.59,1126 5.568,1127 7.969,1128 5.9,1129 22.385,1130 5.125,1131 13.539,1132 1.531,1133 1.574,1134 1.554,1135 1.527,1136 1.523,1137 2,1138 0.242,1139 4.548,1140 1.453,1141 4.208,1142 4.211,1143 4.765,1144 4.185,1145 7.715,1146 4.119,1147 3.954,1148 3.977,1149 3.974,1150 3.892,1151 6.999,1152 3.883,1153 3.839,1154 3.905,1155 3.777,1156 3.699,1157 5.054,1158 3.681,1159 3.683,1160 3.688,1161 3.684,1162 3.612,1163 4.695,1164 3.559,1165 3.421,1166 3.492,1167 3.292,1168 3.277,1169 4.499,1170 3.259,1171 3.268,1172 3.306,1173 3.226,1174 3.044,1175 4.31,1176 3.047,1177 3.111,1178 3.206,1179 2.888,1180 2.941,1181 4.11,1182 2.91,1183 3.034,1184 3.127,1185 2.866,1186 2.808,1187 3.85,1188 2.803,1189 0.162,1190 0.173,1191 0.25,1192 0.143,1193 0.115,1194 5.023,1195 0.16,1196 5.358,1197 0.095,1198 7.735,1199 0.451,1200 4.441,1201 0.101,1202 3.568,1203 4.969,1204 2.95,1205 13.982,1206 3.125,1207 2.023,1208 2.035,1209 2.068,1210 2.078,1211 1.384,1212 2.108,1213 1.918,1214 1.889,1215 2.054,1216 2.034,1217 1.299,1218 2.049,1219 1.787,1220 1.731,1221 1.956,1222 1.936,1223 1.171,1224 1.951,1225 1.65,1226 1.639,1227 1.784,1228 1.807,1229 0.99,1230 1.836,1231 1.411,1232 1.357,1233 1.513,1234 1.633,1235 0.825,1236 1.636,1237 1.153,1238 1.064,1239 1.456,1240 1.421,1241 0.656,1242 1.429,1243 1.132,1244 1.054,1245 1.417,1246 1.376,1247 0.558,1248 1.416,1249 0.976,1250 0.926,1251 1.365,1252 1.258,1253 0.469,1254 1.308,1255 4.143,1257 5.493,1258 2.398,1259 7.041,1260 4.727,1261 8.676,1262 6.862,1263 10.356,1265 4.172,1271 4.1,1272 6.874,1275 0.752,1280 33.497,1281 86.314,1282 194.706,1283 247.603,1284 263.254,1285 263.254,1286 263.254,1287 55.987,1288 7.69,1289 86.88,1290 95.26,1291 23,1292 12.711,1293 4.248,1294 3.459,1295 42.425,1296 107,1297 113,1298 0.192,1299 208.445,1300 351.33,1301 500.365,1302 23258,1304 19.725,1305 0.704,1306 0.608,1307 19.975,1308 17.013,1309 13.448,1310 0.434,1311 0.362,1312 9.785,1313 12.301,1314 9.383,1315 7.815,1316 14.236,1317 11.237,1318 12.704,1319 0.282,1320 0.213,1321 14.004,1322 9.567,1323 10.636,1324 0.177,1325 0.118,1326 11.963,1327 7.096,1328 8.683,1329 0.113,1330 0.065,1331 9.895,1332 4.982,1333 6.76,1334 0.07,1335 0.037,1336 7.855,1337 3.526,1338 0.3,1339 91.388,1340 0.22,1341 26.675,1342 0.532,1343 152,1344 392.975,1345 203.08,1346 406.996,1347 561.86,1348 376,1349 181,1350 396.303,1351 240.644,1352 439.367,1353 644.67,1354 413,1355 5.825} {0 CHEMBL1642889,1 1.629,2 11.345,3 3.13,4 9.797,5 115.41,6 7.972,7 0.636,8 4.052,9 4.16,10 3.822,11 3.686,12 5.072,13 3.632,14 4.607,15 4.751,16 4.158,17 4.106,18 5.789,19 4.042,20 4.905,21 5.11,22 4.241,23 4.25,24 5.964,25 4.142,26 4.95,27 5.17,28 4.151,29 4.177,30 6.098,31 4.069,32 4.786,33 5,34 4.065,35 4.072,36 5.883,37 3.967,38 4.728,39 4.923,40 3.994,41 4.028,42 5.901,43 3.936,44 4.699,45 4.906,46 3.89,47 3.963,48 5.775,49 3.868,50 4.61,51 4.818,52 3.806,53 3.877,54 5.647,55 3.774,56 0.106,57 0.793,58 12.364,59 5.109,60 15.934,61 5.944,62 0.199,63 1.312,64 20.098,65 8.398,66 43.256,67 10.517,68 0.324,69 1.696,70 33.801,71 12.249,72 45.074,73 15.29,74 0.462,75 1.663,76 35.477,77 12.549,78 73.582,79 15.438,80 0.301,81 1.433,82 30.535,83 11.101,84 48.4,85 13.685,86 0.328,87 1.363,88 28.53,89 10.249,90 55.881,91 12.357,92 0.293,93 1.315,94 26.605,95 9.461,96 56.86,97 11.595,98 0.278,99 1.267,100 26.019,101 8.465,102 42.391,103 10.116,104 5,105 48,106 0.268,107 0.577,108 0.727,109 0.828,110 0.843,111 0.856,112 3.409,113 1.026,114 -4.08,115 -4.03,116 -3.82,119 43.1,121 2,125 2,127 1,140 10,141 3,142 2,144 1,151 1,166 1,169 11,171 1,172 2,176 7,178 15,182 8,184 2,186 4,189 12,192 2,193 6,196 1,197 3,199 10,203 8,206 1,207 1,208 2,211 9,215 8,218 2,220 4,222 6,226 6,231 8,233 8,237 6,242 3,244 7,249 1,252 1,253 1,254 2,256 9,259 1361,260 19.858,261 19.858,262 19.858,263 19.858,264 19.858,265 17.274,266 20.128,267 11.635,268 20.335,269 16.328,270 16.328,271 16.328,272 16.328,273 16.328,274 12.335,275 33.501,276 5.558,277 17.129,278 4.043,279 2.166,280 1.254,281 0.642,282 0.549,283 0.471,284 4.12,288 1,289 1,290 738,291 3.317,294 60.826,295 308.416,298 110.423,299 124.294,302 1.829,303 32.125,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 329,316 5.027,317 5.359,318 7.737,319 4.447,320 3.573,321 4.978,322 2.95,323 13.993,324 3.134,325 4.437,326 3.289,327 6.438,328 3.935,329 2.955,330 4.371,331 0.4,332 9.831,333 2.901,334 4.301,335 2.89,336 6.147,337 3.778,338 2.801,339 4.167,340 0.4,341 9.055,342 2.677,343 3.754,344 2.781,345 5.567,346 3.539,347 2.578,348 3.11,350 7.597,351 2.472,352 3.369,353 2.536,354 5.357,355 3.104,356 2.133,357 2.689,359 6.112,360 2.067,361 3.296,362 2.189,363 4.999,364 2.81,365 1.852,366 2.427,368 5.809,369 1.765,370 3.118,371 1.707,372 4.532,373 2.618,374 1.618,375 2.404,377 4.46,378 1.618,379 3.056,380 1.618,381 4.393,382 2.5,383 1.51,384 2.315,386 4.12,387 1.493,388 2.835,389 1.528,390 3.988,391 2.357,392 1.428,393 1.989,395 3.139,396 1.327,397 2.644,398 1.396,399 3.612,400 2.312,401 1.321,402 1.693,404 2.997,405 1.304,406 2.438,407 1.141,408 3.591,409 2.081,410 1.113,411 1.434,413 2.861,414 1.075,415 2.159,416 1.077,417 3.286,418 1.984,419 1,420 1,422 2.136,423 0.983,424 2.063,425 0.867,426 3.247,427 1.661,428 0.669,429 0.991,431 1.577,432 0.662,433 2,434 0.623,435 3.168,436 1.549,437 0.577,438 0.844,440 1.445,441 0.559,442 1.186,443 0.322,444 2.908,445 0.94,446 -0.01,447 -0.012,449 -0.027,450 -0.01,451 14.1,452 0.486,453 0.735,454 0.025,455 40,456 1.379,457 21.5,458 0.741,459 18.5,460 0.638,461 22.682,462 0.782,463 30.3,464 0.594,465 30.293,466 1.045,467 7.502,468 0.259,469 6.607,470 0.228,471 0.047,472 0.059,473 0.284,479 0.571,480 1.055,481 0.827,482 1.036,483 0.64,484 0.856,485 0.748,486 1.169,487 0.833,488 0.997,489 0.589,490 0.973,491 0.817,492 1.05,493 1.042,494 1.066,495 0.691,496 0.972,497 1.236,498 0.927,499 0.997,500 0.946,501 1.327,502 0.936,503 1.075,504 0.919,505 0.947,506 0.977,507 1.198,508 0.894,509 1.16,510 1.072,511 1.14,512 1.11,513 1.231,514 1.004,515 1.405,516 1.082,517 1.051,518 0.972,519 1.47,520 0.98,521 1.405,522 1.145,523 1.346,524 1.133,525 1.21,526 1.062,527 6,528 0.074,529 3.778,530 2.16,531 1.925,532 0.99,533 0.73,534 0.476,535 0.294,536 0.158,537 11354,538 27180,539 2.184,540 43.1,542 15,545 3,548 4,550 1.721,551 2.084,552 3.475,553 0.891,554 1,555 1,559 83.079,560 1.629,561 3.506,562 4.418,563 5.03,564 5.123,565 5.202,566 2.928,567 4.513,568 4.827,569 3.604,570 1463.31,571 8.415,572 19270.6,574 1,576 1,577 289.294,578 1.373,579 4.801,580 0.182,581 0.004,582 0.079,583 0.044,584 0.044,585 0.024,586 0.018,587 0.013,588 0.009,589 0.006,590 0.423,591 0.33,592 0.88,593 0.434,594 146.184,595 0.106,596 0.106,597 0.188,598 0.052,599 -0.124,600 0.084,601 0.098,602 -0.092,603 0.047,604 -0.027,605 0.193,606 -0.042,607 0.072,608 -0.016,609 0.041,610 -0.014,611 0.11,612 0.012,613 0.005,614 0.046,615 0.038,616 0.045,617 0.024,618 0.033,619 0.02,620 0.049,621 0.117,622 0.059,624 0.1,625 0.011,626 -0.069,627 -0.075,628 -0.078,629 0.045,630 -0.038,631 -0.196,632 -0.096,633 -0.077,634 -0.011,635 -0.166,636 -0.027,637 -0.254,638 -0.068,639 -0.233,640 -0.112,641 -0.162,642 -0.125,643 4.636,644 6.354,645 0.862,646 28.121,647 1.002,648 1.119,649 2.855,650 8.15,651 0.695,652 3.526,653 3.892,654 4.205,655 4.489,656 4.745,657 4.844,658 5.004,659 5.165,660 5.268,661 5.347,662 6.526,663 0.656,664 406.55,665 3.526,666 5.094,667 5.969,668 6.87,669 7.763,670 8.672,671 9.574,672 10.486,673 11.394,674 12.31,675 7.8,677 1,680 1,683 1,685 1,687 4,688 10,689 1,690 1,693 3,695 21,707 1,714 51,716 23,717 3,718 33,720 55,721 22,722 17,723 6,724 10,730 5,731 7,740 3,743 3,745 17,746 5,750 2,753 1,755 2,761 1,764 22,765 5,766 3,767 7,768 1,773 4,777 0.6,778 2,784 1,792 1,793 4,796 1,797 1,814 1,819 3,821 1,827 29,829 1,833 4,834 2,837 1,847 3.9,850 2,854 13.917,855 8.867,856 6.167,857 3.107,858 4.261,859 1.523,860 1.062,861 4.687,862 12.413,863 3.839,864 4.53,865 5.181,866 5.824,867 6.424,868 6.843,869 7.292,870 7.729,871 8.076,872 8.361,873 0.875,874 49,875 11.04,877 5.166,878 7.721,879 20.9,881 18.305,883 2.221,884 64.417,887 1,888 223.651,889 125.381,890 69.348,892 44.313,894 6.046,895 119.335,896 267.964,897 69.348,899 9.28,900 118.819,901 78.987,902 31.955,904 223.651,906 223.651,907 188.683,908 44.313,909 6.046,911 176.567,912 91.397,915 47.22,916 106.789,917 40.72,919 223.651,920 113.66,921 125.381,923 6.046,924 223.651,925 24.573,926 94.762,927 52.685,928 60.976,929 223.651,930 113.66,931 125.381,933 0.591,934 0.35,935 0.19,936 0.104,937 26,938 10,939 0.073,940 4,941 2,942 1.16,943 4.084,944 271.598,945 0.16,946 25,947 134.881,950 1,951 18.469,952 7.36,953 3.474,954 3.15,955 96.997,956 18.636,957 4.219,958 2.756,961 1.316,963 52.685,964 462.693,965 45.5,968 -3.719,970 26.708,975 51.091,976 57.069,977 0.287,978 0.618,979 0.779,980 0.887,981 0.903,982 0.917,983 5.089,984 1.51,985 5.984,986 4.46,987 4.575,988 5.218,989 2.947,990 6.868,991 4.478,992 6.338,993 1.428,994 7.591,995 4.12,996 4.29,997 5.301,999 8.111,1000 4.051,1001 7.7,1002 1.321,1003 9.32,1004 3.139,1005 6.271,1006 7.622,1007 5.028,1008 11.228,1009 6.029,1010 9.111,1011 1.113,1012 11.128,1013 2.997,1014 6.858,1015 8.577,1017 13.369,1018 6.432,1019 10.563,1020 1,1021 12.991,1022 2.861,1023 8.334,1024 10.404,1025 7.185,1026 16.109,1027 7.889,1028 12.047,1029 0.669,1030 14.894,1031 2.136,1032 9.302,1033 11.721,1035 18.571,1036 8.669,1037 13.555,1038 0.577,1039 16.827,1040 1.577,1041 10.609,1042 13.378,1043 9.348,1044 21.226,1045 9.915,1046 3.573,1047 -0.01,1048 18.783,1049 1.445,1050 11.741,1051 14.844,1053 23.799,1054 10.872,1055 2.955,1056 13.993,1057 20.757,1058 -0.027,1059 12.998,1060 16.443,1061 11.511,1062 26.437,1063 12.032,1064 2.801,1065 9.831,1066 22.746,1067 4.978,1068 14.2,1069 17.973,1071 29.05,1072 13.071,1073 2.578,1074 9.055,1075 24.746,1076 4.371,1077 15.449,1078 19.555,1079 13.675,1080 31.686,1081 14.199,1082 2.133,1083 7.597,1084 26.755,1085 4.167,1086 16.684,1087 21.113,1089 34.314,1090 15.278,1091 1.852,1092 6.112,1093 28.771,1094 3.11,1095 17.936,1096 22.694,1097 15.838,1098 36.951,1099 16.396,1100 1.618,1101 5.809,1102 30.793,1103 2.689,1104 19.187,1105 24.267,1107 39.585,1108 17.495,1109 10400,1110 16326,1111 22.652,1112 35.432,1113 50.387,1114 51.827,1115 50.671,1116 50.369,1117 50.254,1118 68.828,1119 7.5,1120 150.261,1121 48.075,1122 6.027,1123 7.359,1124 7.539,1125 5.598,1126 5.573,1127 7.978,1128 5.9,1129 22.417,1130 5.134,1131 9.139,1132 1.527,1133 1.571,1134 1.535,1135 1.526,1136 1.523,1137 2.086,1138 0.227,1139 4.553,1140 1.457,1141 4.225,1142 4.226,1143 4.767,1144 4.208,1145 7.715,1146 4.148,1147 4.039,1148 4.066,1149 3.998,1150 3.977,1151 6.999,1152 3.978,1153 3.851,1154 3.911,1155 3.939,1156 3.754,1157 5.055,1158 3.703,1159 3.729,1160 3.712,1161 3.69,1162 3.643,1163 4.88,1164 3.614,1165 3.385,1166 3.454,1167 3.298,1168 3.257,1169 4.499,1170 3.249,1171 3.24,1172 3.27,1173 3.226,1174 3.048,1175 4.311,1176 3.05,1177 3.111,1178 3.206,1179 2.909,1180 2.941,1181 4.27,1182 2.912,1183 3.044,1184 3.132,1185 2.884,1186 2.925,1187 3.854,1188 2.91,1189 0.152,1190 0.162,1191 0.234,1192 0.135,1193 0.108,1194 5.027,1195 0.151,1196 5.359,1197 0.089,1198 7.737,1199 0.424,1200 4.447,1201 0.095,1202 3.573,1203 4.978,1204 2.95,1205 13.993,1206 3.134,1207 2.102,1208 2.102,1209 2.148,1210 2.141,1211 1.384,1212 2.166,1213 1.949,1214 1.932,1215 2.058,1216 2.055,1217 1.333,1218 2.062,1219 1.795,1220 1.751,1221 1.957,1222 1.944,1223 1.159,1224 1.963,1225 1.681,1226 1.682,1227 1.648,1228 1.812,1229 0.886,1230 1.832,1231 1.353,1232 1.31,1233 1.513,1234 1.552,1235 0.825,1236 1.545,1237 1.153,1238 1.064,1239 1.446,1240 1.41,1241 0.578,1242 1.429,1243 1.133,1244 1.059,1245 1.365,1246 1.376,1247 0.54,1248 1.409,1249 1.065,1250 1.011,1251 1.282,1252 1.258,1253 0.354,1254 1.276,1255 4.205,1257 5.557,1258 2.398,1259 7.116,1260 4.727,1261 8.765,1262 6.862,1263 10.46,1271 4.081,1272 6.88,1275 0.39,1280 33.444,1281 83.079,1282 178.816,1283 225.32,1284 256.539,1285 261.294,1286 265.294,1287 50.586,1288 8.152,1289 86.88,1290 95.26,1291 29,1292 12.823,1293 4.585,1294 3.755,1295 39.578,1296 111,1297 121,1298 0.171,1299 204.789,1300 340.09,1301 491.445,1302 42950,1304 19.847,1305 0.684,1306 0.575,1307 20.097,1308 16.668,1309 14.109,1310 0.428,1311 0.342,1312 9.836,1313 12.963,1314 9.538,1315 7.862,1316 14.898,1317 11.288,1318 13.163,1319 0.274,1320 0.195,1321 14.463,1322 9.352,1323 11.461,1324 0.174,1325 0.11,1326 12.775,1327 7.252,1328 9.702,1329 0.11,1330 0.06,1331 10.914,1332 5.319,1333 8.028,1334 0.07,1335 0.035,1336 9.225,1337 3.951,1338 0.267,1339 95.359,1340 0.21,1341 27.392,1342 0.477,1343 162,1344 424.975,1345 213.08,1346 440.036,1347 611.87,1348 408,1349 195,1350 436.303,1351 254.644,1352 480.409,1353 707.34,1354 453,1355 5.301} {0 CHEMBL164413,1 1.446,2 13.448,3 1.956,4 3.824,5 115.983,6 7.101,7 0.606,8 4.125,9 4.273,10 3.674,11 3.601,12 5.135,13 3.589,14 4.688,15 4.898,16 4,17 4.026,18 5.597,19 3.982,20 4.912,21 5.16,22 3.899,23 4.163,24 5.684,25 4.044,26 5.005,27 5.273,28 3.85,29 4.183,30 5.726,31 4.029,32 5.017,33 5.322,34 3.791,35 4.087,36 5.717,37 3.939,38 4.861,39 5.14,40 3.735,41 4.002,42 5.615,43 3.869,44 4.788,45 5.068,46 3.652,47 3.914,48 5.538,49 3.772,50 4.704,51 4.995,52 3.475,53 3.796,54 5.433,55 3.652,56 0.062,57 0.924,58 12.393,59 4.256,60 10.745,61 6.497,62 0.292,63 1.459,64 23.608,65 7.034,66 19.915,67 11.072,68 0.353,69 1.62,70 30.516,71 10.298,72 23.279,73 15.651,74 0.205,75 1.665,76 33.898,77 12.075,78 24.039,79 18.49,80 0.375,81 1.588,82 35.975,83 10.869,84 30.94,85 17.476,86 0.358,87 1.438,88 29.985,89 9.361,90 26.085,91 14.711,92 0.249,93 1.323,94 27.761,95 9.052,96 23.678,97 14.193,98 0.31,99 1.185,100 25.992,101 7.595,102 23.873,103 12.253,105 45,106 0.237,107 0.6,108 0.762,109 0.821,110 0.845,111 0.845,112 3.407,113 0.93,114 -3.67,115 -3.64,116 -3.46,119 38.2,121 2,125 6,140 3,141 2,142 1,143 1,149 2,150 1,158 2,159 1,164 1,169 5,171 2,172 3,174 1,176 3,178 5,181 2,182 3,184 1,186 3,189 5,193 6,197 1,199 3,203 7,206 1,211 2,214 1,215 5,218 2,222 1,226 4,229 2,236 1,237 5,242 1,249 2,252 1,254 1,259 1395,260 20.378,261 20.378,262 20.378,263 20.378,264 20.378,265 18.068,266 24.198,267 12.252,268 20.965,269 16.352,270 16.352,271 16.352,272 16.352,273 16.352,274 12.946,275 28.599,276 5.873,277 17.299,278 4.335,279 2.116,280 1.127,281 0.764,282 0.618,283 0.618,284 4.123,288 1,289 1,290 883,291 2.828,294 242.272,295 179.962,298 127.211,302 2.119,303 12.797,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 390,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.063,327 6.095,328 3.69,329 2.754,330 3.731,331 0.8,332 8.884,333 2.578,334 3.961,335 2.884,336 5.62,337 3.654,338 2.73,339 3.49,340 0.172,341 7.796,342 2.521,343 3.61,344 2.76,345 5.336,346 3.408,347 2.484,348 2.813,350 6.961,351 2.294,352 3.43,353 2.354,354 5.129,355 3.056,356 2.112,357 2.634,359 6.02,360 2.013,361 3.251,362 2.178,363 4.96,364 2.956,365 2.007,366 2.588,368 5.87,369 1.878,370 3.156,371 1.795,372 4.514,373 2.73,374 1.776,375 2.188,377 4.655,378 1.69,379 2.742,380 1.382,381 4.133,382 2.318,383 1.333,384 1.848,386 3.482,387 1.311,388 2.562,389 1.314,390 3.496,391 2.152,392 1.19,393 1.584,395 2.643,396 1.143,397 2.424,398 1.151,399 3.414,400 2.059,401 1.099,402 1.396,404 2.46,405 1.052,406 2.252,407 1.146,408 3.404,409 1.967,410 1,411 1.192,413 2.275,414 0.965,415 2.118,416 0.931,417 3.312,418 1.858,419 0.893,420 1,422 2.093,423 0.86,424 2.118,425 0.669,426 3.172,427 1.559,428 0.618,429 0.927,431 1.462,432 0.575,433 2,434 0.618,435 3,436 1.518,437 0.618,438 0.927,440 1.372,441 0.556,442 1.983,443 0.618,444 3,445 1.518,446 0.602,447 0.82,449 1.372,450 0.556,451 13.7,452 0.472,453 0.496,454 0.017,455 36.75,456 1.267,457 16,458 0.552,459 20.75,460 0.716,461 24.081,462 0.83,463 31.3,464 0.569,465 24.088,466 0.831,467 7.27,468 0.251,469 7.079,470 0.244,473 0.27,479 0.959,480 1.597,481 0.818,482 1.201,483 0.641,484 1.023,485 1.279,486 1.08,487 1.009,488 0.932,489 0.832,490 0.933,491 0.978,492 0.892,493 1.115,494 1.047,495 0.833,496 1.092,497 0.643,498 1.149,499 0.977,500 1.221,501 0.642,502 1.157,503 0.902,504 0.866,505 0.887,506 0.868,507 0.889,508 0.874,509 0.942,510 0.888,511 1.016,512 0.975,513 0.936,514 1.001,515 0.73,516 1.084,517 0.94,518 1.113,519 0.744,520 1.065,521 1.133,522 0.869,523 1.074,524 0.932,525 1.24,526 0.985,527 4.5,528 0.094,529 2.667,530 1.104,531 0.881,532 0.639,533 0.474,534 0.208,535 0.133,536 0.123,537 13886,538 32502,539 2.237,540 47.3,541 2,542 15,543 2,544 3,545 2,547 2,550 1.712,551 2.203,552 3.702,553 0.262,554 1,555 1,559 79.525,560 1.446,561 3.666,562 4.655,563 5.018,564 5.163,565 5.163,566 3.125,567 4.28,568 4.829,569 3.909,570 1587.12,571 8.368,572 22946,574 1,576 1,577 317.975,578 0.85,579 4.832,580 0.136,581 0.004,582 0.059,583 0.028,584 0.024,585 0.019,586 0.015,587 0.007,588 0.006,589 0.006,590 0.305,591 0.33,592 0.88,594 151.459,595 0.051,596 -0.323,597 0.093,598 -0.126,599 0.242,600 -0.029,601 -0.107,602 0.087,603 -0.047,604 0.055,605 0.044,606 0.019,607 -0.086,608 0.139,609 -0.161,610 -0.022,611 -0.059,612 -0.09,613 0.036,614 -0.217,615 -0.029,616 -0.165,617 0.078,618 -0.115,619 -0.003,620 0.015,621 0.111,622 0.106,623 0.028,624 0.121,625 -0.001,626 0.066,627 -0.033,628 0.009,629 -0.034,630 -0.012,631 0.101,632 -0.158,633 0.033,634 -0.105,635 0.078,636 -0.055,637 -0.135,638 0.062,639 -0.078,640 0.027,641 -0.226,642 -0.01,643 0.608,644 1.332,645 0.862,646 32.604,647 0.996,648 1.14,649 2.439,650 5.947,651 0.653,652 3.526,653 3.829,654 4.111,655 4.369,656 4.489,657 4.595,658 4.745,659 4.86,660 4.898,661 4.942,662 7.989,663 0.617,664 390.55,665 3.526,666 5.056,667 5.905,668 6.77,669 7.631,670 8.5,671 9.367,672 10.239,673 11.11,674 11.985,675 14.5,678 2,683 3,685 3,687 2,688 8,689 3,690 2,693 3,694 1,695 20,714 55,716 20,717 1,718 33,720 59,721 21,722 13,723 3,724 3,730 5,731 6,743 2,745 13,746 8,761 1,764 26,765 5,766 2,767 8,770 1,773 8,777 0.8,788 1,792 3,793 2,796 1,815 2,819 4,827 29,833 8,838 2,844 1,854 13.167,855 9.617,856 6.333,857 3.379,858 3.341,859 1.419,860 1.036,861 5.435,862 11.313,863 3.784,864 4.366,865 4.965,866 5.558,867 5.894,868 6.309,869 6.769,870 7.189,871 7.379,872 7.599,873 0.889,874 39,875 10.691,877 4.505,878 7.443,879 21.18,881 17.762,883 1.943,884 56.333,888 282.506,889 103.499,890 91.83,895 103.499,896 282.506,897 91.83,899 17.703,900 46.524,901 104.99,902 59.281,903 25.686,904 223.651,906 282.506,907 195.329,911 258.964,912 23.542,915 88.035,916 57.183,917 50.112,919 282.506,920 91.83,921 103.499,924 282.506,925 30.691,926 80.956,927 33.571,928 50.112,929 282.506,930 91.83,931 103.499,933 0.574,934 0.335,935 0.184,936 0.087,937 23,938 8,939 0.119,940 7,941 1,942 1.08,943 4.41,944 250.079,945 0.08,946 25,947 132.881,951 18.554,952 8.494,953 4.272,954 2.475,955 56.36,956 15.787,957 12.146,958 6.601,961 3.533,962 1.943,963 33.571,964 477.836,965 43,975 54.767,976 62.723,977 0.25,978 0.634,979 0.805,980 0.868,981 0.893,982 0.893,983 5.004,984 1.333,985 5.855,986 4.655,987 4.511,988 5.053,989 1.242,990 6.621,991 4.405,992 6.175,993 1.19,994 7.376,995 3.482,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.732,1001 7.456,1002 1.099,1003 8.995,1004 2.643,1005 6.057,1006 7.23,1007 0.883,1008 10.497,1009 5.854,1010 8.777,1011 1,1012 10.676,1013 2.46,1014 6.347,1015 7.852,1016 0.581,1017 12.167,1018 6.101,1019 10.137,1020 0.893,1021 12.399,1022 2.275,1023 7.877,1024 9.748,1025 0.68,1026 14.734,1027 7.597,1028 11.524,1029 0.618,1030 14.15,1031 2.093,1032 8.585,1033 10.834,1034 0.515,1035 16.772,1036 8.277,1037 12.932,1038 0.618,1039 15.922,1040 1.462,1041 9.858,1042 12.478,1043 0.541,1044 19.171,1045 9.524,1046 3.118,1047 0.602,1048 17.71,1049 1.372,1050 10.769,1051 13.785,1052 0.441,1053 21.37,1054 10.419,1055 2.754,1056 10.431,1057 19.511,1058 1.372,1059 11.937,1060 15.331,1061 0.438,1062 23.715,1063 11.566,1064 2.73,1065 8.884,1066 21.322,1067 4.518,1068 12.948,1069 16.741,1070 0.373,1071 25.986,1072 12.567,1073 2.484,1074 7.796,1075 23.142,1076 3.731,1077 14.075,1078 18.253,1079 0.358,1080 28.316,1081 13.68,1082 2.112,1083 6.961,1084 24.969,1085 3.49,1086 15.136,1087 19.71,1088 0.314,1089 30.62,1090 14.733,1091 2.007,1092 6.02,1093 26.803,1094 2.813,1095 16.25,1096 21.212,1097 0.296,1098 32.95,1099 15.836,1100 1.776,1101 5.87,1102 28.642,1103 2.634,1104 17.337,1105 22.693,1106 0.264,1107 35.27,1108 16.917,1109 12528,1110 19329,1111 23.345,1112 35.898,1113 49.517,1114 48.658,1115 48.582,1116 48.95,1117 48.962,1118 63.637,1119 3.778,1120 136.279,1121 46.392,1122 5.568,1123 5.197,1124 6.181,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1132 1.501,1133 1.474,1134 1.472,1135 1.483,1136 1.484,1137 1.928,1138 0.114,1139 4.13,1140 1.406,1141 4.153,1142 4.192,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.944,1148 4.016,1149 3.873,1150 3.735,1151 4.985,1152 3.76,1153 3.833,1154 3.908,1155 3.789,1156 3.612,1157 4.926,1158 3.637,1159 3.785,1160 3.862,1161 3.681,1162 3.559,1163 4.365,1164 3.588,1165 3.514,1166 3.587,1167 3.371,1168 3.357,1169 4.255,1170 3.355,1171 3.285,1172 3.354,1173 3.178,1174 3.114,1175 3.976,1176 3.119,1177 3.111,1178 3.206,1179 2.945,1180 2.941,1181 3.761,1182 2.91,1183 3.098,1184 3.193,1185 2.866,1186 2.882,1187 3.611,1188 2.883,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.094,1194 4.568,1195 0.137,1196 3.197,1197 0.028,1198 6.566,1199 0.316,1200 4.099,1201 0.093,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.052,1210 2.058,1211 1.363,1212 2.058,1213 1.813,1214 1.742,1215 2.004,1216 2.031,1217 1.248,1218 2.027,1219 1.659,1220 1.6,1221 1.864,1222 1.844,1223 1.108,1224 1.854,1225 1.482,1226 1.409,1227 1.666,1228 1.735,1229 0.853,1230 1.72,1231 1.404,1232 1.333,1233 1.584,1234 1.658,1235 0.825,1236 1.638,1237 1.371,1238 1.308,1239 1.536,1240 1.58,1241 0.699,1242 1.575,1243 1.269,1244 1.199,1245 1.513,1246 1.481,1247 0.579,1248 1.488,1249 1.153,1250 1.064,1251 1.469,1252 1.442,1253 0.549,1254 1.429,1255 4.205,1257 5.509,1258 3.434,1259 6.991,1260 5.638,1261 8.556,1262 7.591,1263 10.169,1271 8.794,1276 5.053,1280 33.912,1281 79.525,1282 201.61,1283 256.001,1284 275.975,1285 283.975,1286 283.975,1287 31.286,1288 7.971,1289 81.66,1290 81.66,1291 27,1292 12.525,1293 4.392,1294 3.459,1295 39.997,1296 141,1297 126,1298 0.135,1299 206.178,1300 333.34,1301 494.834,1302 37948,1304 19.468,1305 0.671,1306 0.568,1307 19.468,1308 16.459,1309 14.348,1310 0.435,1311 0.31,1312 10.059,1313 13.694,1314 9.896,1315 8.15,1316 14.348,1317 10.23,1318 12.583,1319 0.28,1320 0.17,1321 12.583,1322 7.67,1323 10.964,1324 0.183,1325 0.096,1326 10.964,1327 5.781,1328 9.238,1329 0.118,1330 0.053,1331 9.238,1332 4.128,1333 6.66,1334 0.076,1335 0.032,1336 6.66,1337 2.773,1338 0.221,1339 90.253,1340 0.207,1341 28.381,1342 0.346,1343 156,1344 392.536,1345 170.682,1346 385.978,1347 544.49,1348 366,1349 183,1350 417.913,1351 199.597,1352 423.096,1353 613.1,1354 398,1355 8.748} {0 CHEMBL1672288,1 1.772,2 7.941,3 3.497,4 12.226,5 62.883,6 11.726,7 0.611,8 3.191,9 3.244,10 3.192,11 2.962,12 4.696,13 2.944,14 3.572,15 3.639,16 3.565,17 3.227,18 5.176,19 3.222,20 3.651,21 3.779,22 3.291,23 3.129,24 5.23,25 3.125,26 3.473,27 3.627,28 3.151,29 2.897,30 5.198,31 2.913,32 3.194,33 3.299,34 3.04,35 2.709,36 5.174,37 2.74,38 3.158,39 3.278,40 2.982,41 2.736,42 4.638,43 2.699,44 3.227,45 3.351,46 3.059,47 2.693,48 4.876,49 2.65,50 3.073,51 3.205,52 3.025,53 2.355,54 4.905,55 2.39,56 0.112,57 0.395,58 0.213,59 1.317,60 20.51,61 1.036,62 0.197,63 0.67,64 3.213,65 2.566,66 34.707,67 1.713,68 0.299,69 0.666,70 1.621,71 2.536,72 51.948,73 2.099,74 0.261,75 0.564,76 3.51,77 2.37,78 46.113,79 2.215,80 0.199,81 0.465,82 0.852,83 1.441,84 39.963,85 1.036,86 0.14,87 0.387,88 0.74,89 1.464,90 25.803,91 1.051,92 0.193,93 0.491,94 4.974,95 2.43,96 34.106,97 1.944,98 0.258,99 0.524,100 3.045,101 2.109,102 52.611,103 0.991,104 11,105 24,106 0.356,107 0.703,108 0.818,109 0.863,110 0.882,111 0.882,112 2.906,113 0.898,114 -3.81,115 -3.77,116 -3.58,119 57.1,139 2,140 3,141 2,142 1,144 1,149 1,156 1,160 1,169 6,172 3,178 7,182 3,189 6,193 2,199 3,203 4,211 2,215 2,222 2,226 1,233 1,236 1,244 1,249 1,259 313,260 11.334,261 11.334,262 11.334,263 11.334,264 11.334,265 9.664,266 10.969,267 6.754,268 11.776,269 8.843,270 8.843,271 8.843,272 8.843,273 8.843,274 6.192,275 8.554,276 3.187,277 9.608,278 2.62,279 0.893,280 0.322,281 0.095,284 3.558,288 1,289 1,290 279,291 2.345,294 48.864,295 58.005,302 1.135,303 26.009,306 1,307 0.83,308 1,309 0.4,311 1,312 1,313 0.75,314 38,315 135,316 4.327,317 4.06,318 5.736,319 3.788,320 2.808,321 3.955,322 2.035,323 8.146,324 2.756,325 4.135,326 3.161,327 5.545,328 3.574,329 2.681,330 3.752,332 7.559,333 2.418,334 3.777,335 3.038,336 4.994,337 3.073,338 2.101,339 2.974,341 5.941,342 2.043,343 3.523,344 2.675,345 4.736,346 2.885,347 1.956,348 2.661,350 5.253,351 1.791,352 3.158,353 2.443,354 4.615,355 2.662,356 1.788,357 2.341,359 4.93,360 1.506,361 2.862,362 2.184,363 3.285,364 1.66,365 0.787,366 1.269,368 1.83,369 0.666,370 2.71,371 0.983,372 3.153,373 1.431,374 0.541,375 0.957,377 1.31,378 0.478,379 2.189,380 0.612,381 2.815,382 1.369,383 0.426,384 0.85,386 0.637,387 0.4,388 0.975,389 0.205,390 2.448,391 0.539,392 -0.385,393 -0.49,395 -0.986,396 -0.338,397 0.907,398 0.122,399 2.133,400 0.421,401 -0.52,402 -0.638,404 -1.369,405 -0.473,406 0.529,407 -0.051,408 1.725,409 0.09,410 -0.774,411 -1.017,413 -1.824,414 -0.65,415 0.265,416 -0.281,417 1.601,418 -0.116,419 -1,420 -1.397,422 -2.469,423 -0.891,424 0.108,425 -0.977,426 1.216,427 -0.411,428 -1.311,429 -1.86,431 -3.475,432 -1.131,433 -0.27,434 -1.276,435 1.095,436 -0.718,437 -1.641,438 -2.374,440 -4.438,441 -1.451,442 -0.331,443 -1.423,444 1,445 -0.776,446 -1.721,447 -2.463,449 -4.634,450 -1.544,451 8.205,452 0.483,453 0.417,454 0.025,455 25.25,456 1.485,457 15,458 0.882,459 10.25,460 0.603,461 9.163,462 0.539,463 16.395,464 0.781,465 15.342,466 0.902,467 5.011,468 0.295,469 3.158,470 0.186,471 0.118,473 0.305,477 1,478 1,479 0.546,480 0.708,481 0.642,482 0.698,483 0.54,484 0.662,485 0.564,486 0.863,487 0.898,488 1.156,489 0.588,490 0.957,491 1.014,492 0.949,493 0.83,494 0.869,495 1.032,496 1.212,497 1.035,498 0.955,499 0.695,500 0.729,501 1.1,502 0.867,503 0.986,504 0.958,505 0.707,506 0.771,507 0.823,508 0.883,509 0.734,510 0.787,511 0.974,512 0.842,513 0.75,514 1.026,515 0.899,516 1.099,517 1.617,518 1.477,519 0.823,520 1.255,521 2.258,522 1.652,523 1.561,524 1.302,525 2.306,526 1,527 4.5,529 1.111,530 1.257,531 0.858,532 0.208,533 0.275,534 0.149,535 0.149,536 0.06,537 2381,538 11531,539 1.994,540 19,542 3,543 1,550 1.566,551 1.855,552 3.005,553 -0.692,557 1,559 37.219,560 1.772,561 3.499,562 4.071,563 4.297,564 4.392,565 4.392,566 2.419,567 3.852,568 4.062,569 3.112,570 423.228,571 6.848,572 3923.85,574 1,577 92.239,578 1.447,579 4.01,580 0.25,582 0.046,583 0.063,584 0.05,585 0.014,586 0.021,587 0.011,588 0.015,589 0.012,590 0.483,591 0.83,592 1,593 0.922,594 71.285,595 -0.021,596 -0.016,597 0.006,598 0.034,599 -0.021,600 0.013,601 0.112,602 -0.072,603 -0.01,604 -0.273,605 0.044,606 -0.177,607 -0.143,608 -0.099,609 -0.121,610 -0.09,611 -0.201,612 -0.225,613 -0.127,614 -0.091,615 0.158,616 0.133,617 -0.136,618 0.264,619 -0.044,620 -0.004,621 -0.064,622 -0.009,623 0.169,624 -0.11,625 -0.123,626 -0.06,627 -0.071,628 0.03,629 -0.116,630 -0.091,631 0.043,632 -0.155,633 -0.178,634 -0.232,635 0.084,636 -0.082,637 -0.49,638 -0.09,639 -0.119,640 0.087,641 -0.617,642 0.028,643 2.23,644 5.052,645 0.647,646 10.74,647 1.051,648 1.116,649 2.582,650 6.668,651 0.812,652 2.944,653 3.219,654 3.367,655 3.584,656 3.611,657 3.497,658 3.497,659 3.466,660 3.526,661 3.466,662 4.844,663 0.812,664 246.25,665 2.944,666 4.443,667 5.242,668 6.089,669 6.903,670 7.751,671 8.57,672 9.416,673 10.238,674 11.083,675 9.5,684 1,685 1,688 4,689 1,692 1,693 5,695 11,697 1,713 2,714 21,716 13,717 1,718 18,720 22,721 12,722 9,723 3,724 3,730 2,731 2,744 3,745 9,761 1,762 2,764 4,765 4,767 5,768 1,773 2,777 1,792 1,793 1,800 2,819 2,821 1,825 2,827 17,840 2,841 1,843 1,845 3,846 2,854 9.167,855 4.186,856 3.833,857 1.152,858 3.112,859 1.529,860 0.988,861 3.237,862 8.995,863 3.35,864 3.907,865 4.507,866 5.062,867 5.518,868 5.784,869 6.188,870 6.506,871 6.896,872 7.238,873 1,874 20,875 6.215,877 2.638,878 8.48,879 11.03,881 8.498,883 2.98,884 50.667,888 47.084,889 143.132,890 47.845,893 29.92,894 31.278,895 111.855,896 47.084,897 77.765,900 36.078,901 33.387,902 71.133,903 60.792,904 66.591,906 47.084,907 159.7,908 29.92,909 31.278,911 62.045,913 14.96,915 40.681,916 68.172,917 50.847,918 31.278,919 77.005,920 47.845,921 143.132,924 47.084,925 56.392,926 36.078,927 50.663,928 77.765,929 47.084,930 77.765,931 143.132,933 0.571,934 0.316,935 0.169,936 0.085,937 11,938 5,942 1,943 2.993,944 109.303,946 11,947 69.487,948 1,951 11.396,952 4.829,953 2.939,955 77.765,956 5.246,957 3.51,960 0.844,961 -0.256,964 267.982,965 27.5,975 22.073,976 23.426,977 0.404,978 0.797,979 0.927,980 0.978,981 1,982 1,983 4.572,984 0.426,985 5.209,986 1.31,987 3.892,988 4.59,989 2.228,990 5.922,991 3.754,992 5.82,993 -0.385,994 6.706,995 0.637,996 3.434,997 4.227,999 6.555,1000 3.229,1001 7.128,1002 -0.52,1003 8.285,1004 -0.986,1005 5.398,1006 6.795,1007 3.563,1008 9.555,1009 5.17,1010 8.464,1011 -0.774,1012 9.907,1013 -1.369,1014 5.673,1015 7.227,1017 10.912,1018 5.375,1019 9.822,1020 -1,1021 11.554,1022 -1.824,1023 7.125,1024 9.208,1025 4.962,1026 13.408,1027 6.822,1028 11.195,1029 -1.311,1030 13.218,1031 -2.469,1032 7.757,1033 10.044,1035 15.11,1036 7.391,1037 12.582,1038 -1.641,1039 14.894,1040 -3.475,1041 8.982,1042 11.741,1043 6.378,1044 17.392,1045 8.611,1046 2.808,1047 -1.721,1048 16.578,1049 -4.438,1050 9.801,1051 12.802,1053 19.273,1054 9.377,1055 2.681,1056 8.146,1057 18.27,1058 -4.634,1059 10.917,1060 14.349,1061 7.797,1062 21.453,1063 10.486,1064 2.101,1065 7.559,1066 19.967,1067 3.955,1068 11.833,1069 15.538,1071 23.429,1072 11.359,1073 1.956,1074 5.941,1075 21.67,1076 3.752,1077 12.898,1078 17.003,1079 9.217,1080 25.559,1081 12.414,1082 1.788,1083 5.253,1084 23.377,1085 2.974,1086 13.864,1087 18.265,1089 27.585,1090 13.346,1091 0.787,1092 4.93,1093 25.087,1094 2.661,1095 14.905,1096 19.685,1097 10.638,1098 29.691,1099 14.374,1100 0.541,1101 1.83,1102 26.801,1103 2.341,1104 15.896,1105 20.989,1107 31.743,1108 15.34,1109 2435,1110 5465,1111 11.731,1112 17.057,1113 28.918,1114 29.362,1115 27.093,1116 26.219,1117 26.176,1118 37.519,1119 4.069,1120 71.214,1121 24.119,1122 4.842,1123 6.06,1124 5.272,1125 4.856,1126 4.808,1127 6.955,1128 4.069,1129 14.146,1130 4.756,1131 8.567,1132 1.607,1133 1.631,1134 1.505,1135 1.457,1136 1.454,1137 2.084,1138 0.226,1139 3.956,1140 1.34,1141 3.959,1142 3.977,1143 4.223,1144 3.916,1145 8.204,1146 3.907,1147 3.792,1148 3.807,1149 3.898,1150 3.773,1151 8.2,1152 3.714,1153 3.247,1154 3.279,1155 3.294,1156 3.187,1157 6.82,1158 3.173,1159 3.095,1160 3.123,1161 3.123,1162 2.956,1163 4.929,1164 2.972,1165 2.681,1166 2.729,1167 2.685,1168 2.553,1169 4.566,1170 2.541,1171 2.509,1172 2.586,1173 2.508,1174 2.302,1175 4.175,1176 2.316,1177 2.4,1178 2.473,1179 2.401,1180 2.161,1181 3.437,1182 2.183,1183 1.876,1184 1.936,1185 2.072,1186 1.798,1187 3.319,1188 1.716,1189 0.24,1190 0.226,1191 0.319,1192 0.21,1193 0.156,1194 4.327,1195 0.22,1196 4.06,1197 0.113,1198 5.736,1199 0.453,1200 3.788,1201 0.153,1202 2.808,1203 3.955,1204 2.035,1205 8.146,1206 2.756,1207 1.917,1208 1.9,1209 1.983,1210 1.986,1211 1.054,1212 1.985,1213 1.495,1214 1.481,1215 1.526,1216 1.587,1217 0.578,1218 1.572,1219 1.196,1220 1.211,1221 1.193,1222 1.301,1223 0.21,1224 1.315,1225 1.104,1226 1.064,1227 1.079,1228 1.27,1229 0.109,1230 1.255,1231 0.913,1232 0.875,1233 0.946,1234 1.078,1235 0.054,1236 1.078,1237 0.504,1238 0.443,1239 0.703,1240 0.74,1242 0.743,1243 0.407,1244 0.338,1245 0.664,1246 0.598,1248 0.632,1252 0.112,1254 0.026,1255 3.611,1257 4.89,1258 2.398,1259 6.337,1260 4.595,1261 7.862,1262 6.529,1263 9.432,1267 25.624,1278 8.65,1279 7.049,1280 17.05,1281 37.219,1282 73.484,1283 85.484,1284 90.239,1285 92.239,1286 92.239,1287 32.514,1288 5.883,1289 36.68,1290 64.92,1291 11,1292 11.649,1293 3.807,1294 3.392,1295 28.558,1296 49,1297 44,1298 0.29,1299 111.861,1300 198.53,1301 264.701,1302 2213,1303 9.5,1304 12.251,1305 0.721,1306 0.54,1307 10.864,1308 9.185,1309 8.169,1310 0.454,1311 0.299,1312 4.513,1313 7.383,1314 4.351,1315 3.612,1316 7.881,1317 5.389,1318 7.314,1319 0.305,1320 0.162,1321 6.533,1322 3.884,1323 5.502,1324 0.197,1325 0.088,1326 5.46,1327 2.465,1328 4.526,1329 0.129,1330 0.047,1331 4.383,1332 1.643,1333 3.186,1334 0.089,1335 0.023,1336 2.788,1337 0.828,1338 0.451,1339 56.049,1340 0.292,1341 17.338,1342 0.795,1343 84,1344 414.373,1345 119.386,1346 378.76,1347 485.39,1348 348,1349 94,1350 317.292,1351 119.299,1352 329.951,1353 471.64,1354 306,1355 5} {0 CHEMBL170192,1 1.397,2 7.842,3 3.99,4 15.921,5 84.412,6 7.309,7 0.714,8 3.69,9 3.815,10 3.321,11 3.337,12 4.677,13 3.252,14 4.214,15 4.405,16 3.651,17 3.737,18 5.091,19 3.625,20 4.366,21 4.567,22 3.536,23 3.805,24 5.193,25 3.644,26 4.5,27 4.764,28 3.473,29 3.79,30 5.238,31 3.601,32 4.389,33 4.658,34 3.39,35 3.666,36 5.122,37 3.483,38 4.205,39 4.433,40 3.415,41 3.573,42 5.027,43 3.41,44 4.225,45 4.477,46 3.078,47 3.469,48 5.001,49 3.261,50 4.06,51 4.352,52 2.68,53 3.189,54 4.723,55 2.932,56 0.043,57 0.527,58 8.634,59 3.633,60 7.281,61 4.865,62 0.12,63 0.884,64 16.687,65 6.202,66 11.038,67 8.172,68 0.094,69 0.977,70 19.262,71 7.91,72 13.174,73 10.48,74 0.128,75 1.08,76 23.378,77 9.153,78 17.109,79 12.182,80 0.139,81 0.968,82 20.489,83 8.05,84 15.336,85 10.817,86 0.098,87 0.836,88 16.561,89 6.36,90 12.96,91 8.662,92 0.132,93 0.859,94 19.391,95 6.751,96 15.224,97 8.631,98 0.101,99 0.684,100 16.233,101 5.88,102 12.201,103 7.869,104 8,105 29,106 0.252,107 0.616,108 0.779,109 0.836,110 0.836,111 0.836,112 3.011,113 1.058,114 -4.13,115 -4.07,116 -3.85,119 43.2,121 1,124 2,125 1,140 5,141 3,149 2,150 2,169 7,172 1,176 3,178 10,182 1,186 3,189 10,193 1,197 1,199 9,203 1,206 1,211 5,215 2,220 2,222 3,226 1,231 1,233 1,237 2,249 1,259 428,260 12.93,261 12.93,262 12.93,263 12.93,264 12.93,265 11.243,266 6.742,267 7.716,268 13.302,269 10.386,270 10.386,271 10.386,272 10.386,273 10.386,274 7.847,275 6.296,276 3.686,277 10.967,278 3.812,279 1.797,280 0.895,281 0.581,282 0.581,283 0.581,284 3.689,287 1,288 1,289 1,290 319,291 2.739,294 86.118,295 44.441,298 70.568,302 1.324,303 5.145,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 39,315 149,316 4.569,317 3.179,318 6.566,319 4.103,320 3.119,321 4.518,322 0.8,323 10.432,324 3.07,325 4.129,326 2.788,327 6.095,328 3.7,329 2.753,330 3.732,332 8.885,333 2.605,334 3.452,335 2.566,336 5.144,337 3.175,338 2.244,339 2.815,341 6.078,342 2.095,343 3.262,344 2.121,345 4.625,346 2.904,347 1.948,348 2.595,350 5.024,351 1.849,352 3.144,353 1.781,354 4.511,355 2.715,356 1.768,357 2.182,359 4.653,360 1.661,361 2.725,362 1.306,363 4.107,364 2.243,365 1.267,366 1.825,368 3.398,369 1.235,370 2.4,371 0.996,372 3.347,373 1.912,374 0.956,375 1.356,377 2.182,378 0.904,379 2.132,380 0.779,381 3.218,382 1.683,383 0.732,384 0.991,386 1.724,387 0.69,388 2.118,389 0.618,390 3,391 1.462,392 0.618,393 0.927,395 1.372,396 0.506,397 1.569,398 0.414,399 2.874,400 1.319,401 0.351,402 0.424,404 0.823,405 0.338,406 0.845,407 -0.351,408 2.435,409 0.438,410 -0.527,411 -0.671,413 -1.34,414 -0.505,415 0.625,416 -0.6,417 2.119,418 0.162,419 -0.83,420 -1,422 -2,423 -0.822,424 0.182,425 -0.75,426 2,427 -0.1,428 -1,429 -1.115,431 -2.567,432 -0.9,433 0.026,434 -0.956,435 1.84,436 -0.111,437 -1.069,438 -1.382,440 -2.92,441 -1.023,443 -1.349,444 1.466,445 -0.431,446 -1.386,447 -1.731,449 -3.218,450 -1.245,451 9.633,452 0.507,453 0.435,454 0.023,455 23.75,456 1.25,457 12,458 0.632,459 11.75,460 0.618,461 14.432,462 0.76,463 19.767,464 0.534,465 13.945,466 0.734,467 4.62,468 0.243,469 4.617,470 0.243,471 0.104,473 0.301,479 1.061,480 1.164,481 0.795,482 0.896,483 1.029,484 0.916,485 1.599,486 0.787,487 0.93,488 0.747,489 0.891,490 0.773,491 0.919,492 1.134,493 1.06,494 1.124,495 0.984,496 1.16,497 0.853,498 0.907,499 0.877,500 0.899,501 0.94,502 0.923,503 0.735,504 0.834,505 0.769,506 0.814,507 0.84,508 0.864,509 0.887,510 1.166,511 0.838,512 0.996,513 0.917,514 1.041,515 1.632,516 1.158,517 1.382,518 1.233,519 1.409,520 1.183,521 0.873,522 1.068,523 1.063,524 1.126,525 1.142,526 1.116,527 3.5,528 0.04,529 2.222,530 0.757,531 0.703,532 0.58,533 0.374,534 0.107,535 0.121,536 0.055,537 3257,538 7136,539 2.113,540 48.6,542 13,543 2,545 1,547 2,550 1.604,551 2,552 2.998,553 -0.353,555 1,559 51.691,560 1.397,561 3.413,562 4.314,563 4.628,564 4.628,565 4.628,566 2.465,567 3.722,568 4.216,569 3.133,570 535.704,571 7.187,572 5224.68,574 1,575 1,576 1,577 192.75,578 1.324,579 4.189,580 0.167,581 0.01,582 0.077,583 0.03,584 0.031,585 0.028,586 0.019,587 0.008,588 0.015,589 0.009,590 0.392,591 0.83,592 1,593 1.236,594 81.996,595 0.035,596 -0.076,597 0.083,598 0.036,599 -0.033,600 0.031,601 -0.236,602 0.309,603 0.047,604 0.211,605 0.026,606 0.168,607 -0.106,608 -0.151,609 -0.153,610 -0.167,611 -0.096,612 -0.188,613 0.001,614 0.031,615 0.036,616 0.047,617 0.028,618 0.055,619 0.172,620 0.103,621 0.11,622 0.106,623 0.1,624 0.106,625 0.104,626 -0.186,627 0.063,628 -0.066,629 0.056,630 -0.082,631 -0.294,632 -0.125,633 -0.291,634 -0.226,635 -0.27,636 -0.233,637 0.008,638 -0.154,639 -0.088,640 -0.156,641 -0.157,642 -0.136,643 0.436,644 0.869,645 0.737,646 13.978,647 0.982,648 1.115,649 2.895,650 8.382,651 0.696,652 3.091,653 3.401,654 3.664,655 3.932,656 4.078,657 4.22,658 4.344,659 4.443,660 4.357,661 4.263,662 4.872,663 0.634,664 270.43,665 3.091,666 4.615,667 5.46,668 6.333,669 7.203,670 8.085,671 8.965,672 9.852,673 10.738,674 11.627,675 5.4,678 1,683 1,687 2,688 7,690 1,692 1,693 3,695 15,714 37,716 15,717 1,718 21,720 39,721 16,722 12,723 3,724 3,730 3,731 4,743 1,745 12,746 4,761 1,764 18,765 1,766 1,767 3,768 1,773 2,777 0.667,788 1,792 2,793 1,796 1,815 1,819 2,821 1,823 2,827 19,833 2,838 1,842 1,854 9.5,855 7.2,856 4.167,857 2.139,858 2.834,859 1.428,860 1.019,861 3.601,862 9.45,863 3.384,864 4.016,865 4.663,866 5.307,867 5.75,868 6.206,869 6.682,870 7.119,871 7.284,872 7.483,873 1,874 25,875 7.01,877 2.886,878 7.377,879 13.948,881 11.494,883 1.877,884 35.667,885 0.003,888 200.109,889 129.235,890 19.91,894 31.278,895 97.957,896 200.109,897 19.91,898 16.793,899 4.64,900 64.078,902 28.854,903 27.045,904 207.844,906 200.109,907 117.867,909 31.278,911 176.567,912 23.542,915 24.55,916 93.317,918 31.278,919 200.109,920 19.91,921 129.235,924 200.109,925 48.365,926 83.995,927 16.786,929 200.109,930 19.91,931 129.235,933 0.577,934 0.322,935 0.174,936 0.09,937 15,938 6,939 0.103,940 4,941 1,942 1.143,943 3.207,944 139.747,945 0.143,946 14,947 78.711,948 1,951 12.733,952 5.374,953 2.685,954 2.585,955 3.124,956 15.245,958 3.369,960 1.793,961 4.053,963 16.786,964 349.254,965 28.5,975 36.349,976 41.238,977 0.268,978 0.655,979 0.828,980 0.888,981 0.888,982 0.888,983 4.593,984 0.732,985 5.434,986 2.182,987 4.078,988 4.7,989 0.673,990 6.229,991 3.986,992 5.801,993 0.618,994 6.978,995 1.724,996 3.611,997 4.477,998 0.325,999 7.111,1000 3.496,1001 7.104,1002 0.351,1003 8.625,1004 1.372,1005 5.645,1006 6.968,1007 0.379,1008 10.205,1009 5.495,1010 8.452,1011 -0.527,1012 10.334,1013 0.823,1014 6.043,1015 7.684,1016 0.268,1017 11.958,1018 5.869,1019 9.837,1020 -0.83,1021 12.085,1022 -1.34,1023 7.515,1024 9.571,1025 0.239,1026 14.549,1027 7.325,1028 11.249,1029 -1,1030 13.864,1031 -2,1032 8.302,1033 10.715,1034 0.188,1035 16.642,1036 8.094,1037 12.682,1038 -1.069,1039 15.664,1040 -2.567,1041 9.557,1042 12.365,1043 0.156,1044 19.063,1045 9.337,1046 3.119,1047 -1.386,1048 17.48,1049 -2.92,1050 10.525,1051 13.706,1052 0.125,1053 21.294,1054 10.291,1055 2.753,1056 10.432,1057 19.306,1058 -3.218,1059 11.694,1060 15.261,1061 0.102,1062 23.655,1063 11.449,1064 2.244,1065 8.885,1066 21.142,1067 4.518,1068 12.746,1069 16.69,1070 0.082,1071 25.943,1072 12.489,1073 1.948,1074 6.078,1075 22.984,1076 3.732,1077 13.883,1078 18.21,1079 0.066,1080 28.284,1081 13.615,1082 1.768,1083 5.024,1084 24.831,1085 2.815,1086 14.973,1087 19.679,1088 0.054,1089 30.597,1090 14.694,1091 1.267,1092 4.653,1093 26.683,1094 2.595,1095 16.1,1096 21.186,1097 0.043,1098 32.932,1099 15.81,1100 0.956,1101 3.398,1102 28.538,1103 2.182,1104 17.208,1105 22.674,1106 0.035,1107 35.258,1108 16.908,1109 3205,1110 4843,1111 14.216,1112 25.75,1113 31.859,1114 31.305,1115 31.738,1116 31.481,1117 31.512,1118 42.728,1119 1.6,1120 89.142,1121 29.907,1122 5.4,1123 5.179,1124 6.163,1125 5.175,1126 5.119,1127 7.518,1128 1.2,1129 17.102,1130 5.07,1131 7.683,1132 1.517,1133 1.491,1134 1.511,1135 1.499,1136 1.501,1137 2.035,1138 0.076,1139 4.245,1140 1.424,1141 4.145,1142 4.175,1143 4.252,1144 4.091,1145 4.971,1146 4.081,1147 3.823,1148 3.836,1149 4.031,1150 3.847,1151 4.659,1152 3.777,1153 3.644,1154 3.729,1155 3.505,1156 3.454,1157 4.323,1158 3.451,1159 3.353,1160 3.41,1161 3.262,1162 3.22,1163 4.188,1164 3.216,1165 3.117,1166 3.211,1167 2.941,1168 2.918,1169 3.802,1170 2.911,1171 2.874,1172 3.009,1173 2.682,1174 2.733,1175 3.509,1176 2.71,1177 2.859,1178 2.929,1179 2.677,1180 2.618,1181 3.467,1182 2.57,1183 2.489,1184 2.561,1185 2.499,1186 2.377,1187 3.225,1188 2.353,1189 0.218,1190 0.151,1191 0.313,1192 0.195,1193 0.149,1194 4.569,1195 0.215,1196 3.179,1197 0.038,1198 6.566,1199 0.497,1200 4.103,1201 0.146,1202 3.119,1203 4.518,1204 0.8,1205 10.432,1206 3.07,1207 1.962,1208 1.945,1209 2.037,1210 2.024,1211 1.265,1212 2.032,1213 1.69,1214 1.627,1215 1.903,1216 1.901,1217 1.098,1218 1.908,1219 1.472,1220 1.43,1221 1.692,1222 1.695,1223 0.789,1224 1.697,1225 1.447,1226 1.37,1227 1.639,1228 1.574,1229 0.693,1230 1.601,1231 1.317,1232 1.319,1233 1.425,1234 1.397,1235 0.579,1236 1.446,1237 1.039,1238 0.955,1239 1.417,1240 1.239,1241 0.485,1242 1.308,1243 0.934,1244 0.804,1245 1.191,1246 1.185,1247 0.469,1248 1.264,1249 0.848,1250 0.785,1251 1.104,1252 1.025,1253 0.181,1254 1.064,1255 3.761,1257 5.069,1258 3.045,1259 6.555,1260 5.283,1261 8.131,1262 7.286,1263 9.762,1265 4.234,1271 2.164,1276 2.224,1280 23.444,1281 51.691,1282 126.269,1283 159.63,1284 171.24,1285 171.24,1286 171.24,1287 19.106,1288 6.616,1289 19.03,1290 47.27,1291 16,1292 12.158,1293 4,1294 3.087,1295 27.781,1296 54,1297 54,1298 0.257,1299 149.223,1300 240.25,1301 355.864,1302 5589,1304 13.242,1305 0.697,1306 0.638,1307 13.596,1308 12.128,1309 9.237,1310 0.44,1311 0.353,1312 6.543,1313 8.56,1314 6.199,1315 5.205,1316 9.691,1317 7.404,1318 8.35,1319 0.288,1320 0.209,1321 8.934,1322 6.053,1323 6.784,1324 0.179,1325 0.114,1326 7.465,1327 4.32,1328 5.643,1329 0.113,1330 0.061,1331 6.288,1332 3.049,1333 4.179,1334 0.072,1335 0.032,1336 4.511,1337 1.853,1338 0.392,1339 61.2,1340 0.265,1341 18.91,1342 0.733,1343 100,1344 218.838,1345 125.419,1346 243.356,1347 341.93,1348 230,1349 117,1350 240.78,1351 139.203,1352 266.827,1353 386.54,1354 249,1355 9.155} {0 CHEMBL171129,1 1.397,2 7.842,3 3.699,4 13.68,5 84.535,6 7.309,7 0.714,8 3.69,9 3.815,10 3.321,11 3.337,12 4.677,13 3.252,14 4.214,15 4.405,16 3.611,17 3.728,18 5.09,19 3.621,20 4.365,21 4.567,22 3.484,23 3.79,24 5.202,25 3.643,26 4.519,27 4.789,28 3.467,29 3.79,30 5.257,31 3.608,32 4.411,33 4.685,34 3.395,35 3.679,36 5.13,37 3.489,38 4.192,39 4.415,40 3.354,41 3.564,42 5.02,43 3.404,44 4.226,45 4.48,46 3.213,47 3.474,48 5.012,49 3.271,50 4.088,51 4.389,52 2.67,53 3.218,54 4.716,55 2.93,56 0.043,57 0.527,58 8.634,59 3.633,60 7.225,61 4.865,62 0.122,63 0.883,64 16.909,65 6.209,66 10.904,67 8.173,68 0.089,69 0.962,70 17.662,71 7.505,72 13.441,73 10.34,74 0.124,75 1.085,76 22.107,77 8.939,78 17.804,79 12.316,80 0.146,81 0.993,82 21.915,83 8.453,84 15.461,85 11.16,86 0.086,87 0.821,88 16.23,89 6.419,90 12.735,91 8.571,92 0.14,93 0.86,94 17.49,95 6.1,96 15.603,97 8.355,98 0.094,99 0.701,100 18.31,101 6.718,102 12.226,103 8.419,104 8,105 29,106 0.252,107 0.614,108 0.787,109 0.836,110 0.836,111 0.836,112 3.011,113 1.065,114 -3.86,115 -3.82,116 -3.62,119 43.2,121 1,124 2,125 1,140 4,141 4,149 3,150 1,169 8,172 1,176 3,178 11,182 1,186 3,189 10,193 1,197 1,199 8,203 1,206 1,208 1,211 5,215 2,220 1,222 2,226 2,231 1,233 1,237 1,249 1,259 428,260 12.93,261 12.93,262 12.93,263 12.93,264 12.93,265 11.243,266 6.742,267 7.716,268 13.311,269 10.386,270 10.386,271 10.386,272 10.386,273 10.386,274 7.847,275 6.296,276 3.686,277 10.944,278 3.812,279 1.807,280 0.852,281 0.581,282 0.581,283 0.581,284 3.689,287 1,288 1,289 1,290 319,291 2.739,294 86.118,295 44.441,298 70.568,302 1.324,303 5.313,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 39,315 149,316 4.569,317 3.179,318 6.566,319 4.107,320 3.119,321 4.518,322 0.8,323 10.432,324 3.083,325 4.129,326 2.788,327 6.095,328 3.735,329 2.753,330 3.732,332 8.885,333 2.705,334 3.452,335 2.566,336 5.144,337 3.177,338 2.244,339 2.815,341 6.078,342 2.101,343 3.262,344 2.121,345 4.625,346 2.904,347 1.948,348 2.595,350 5.024,351 1.851,352 3.144,353 1.781,354 4.511,355 2.695,356 1.768,357 2.182,359 4.653,360 1.629,361 2.725,362 1.306,363 4.107,364 2.237,365 1.267,366 1.825,368 3.398,369 1.226,370 2.4,371 0.996,372 3.347,373 1.87,374 0.956,375 1.356,377 2.182,378 0.859,379 2.132,380 0.779,381 3.218,382 1.665,383 0.732,384 0.991,386 1.724,387 0.672,388 2.118,389 0.618,390 3,391 1.499,392 0.618,393 0.927,395 1.372,396 0.53,397 1.569,398 0.414,399 2.874,400 1.317,401 0.351,402 0.424,404 0.823,405 0.338,406 0.845,407 -0.351,408 2.435,409 0.436,410 -0.527,411 -0.671,413 -1.34,414 -0.503,415 0.625,416 -0.6,417 2.119,418 0.162,419 -0.83,420 -1,422 -2,423 -0.82,424 0.182,425 -0.75,426 2,427 -0.1,428 -1,429 -1.115,431 -2.567,432 -0.9,433 0.026,434 -0.956,435 1.84,436 -0.117,437 -1.069,438 -1.382,440 -2.92,441 -0.997,443 -1.349,444 1.466,445 -0.486,446 -1.386,447 -1.731,449 -3.218,450 -1.186,451 9.633,452 0.507,453 0.435,454 0.023,455 23.75,456 1.25,457 12,458 0.632,459 11.75,460 0.618,461 14.304,462 0.753,463 19.767,464 0.534,465 14.073,466 0.741,467 4.605,468 0.242,469 4.632,470 0.244,471 0.104,473 0.301,479 1.061,480 1.164,481 0.795,482 0.896,483 1.035,484 0.916,485 1.622,486 0.806,487 0.997,488 0.799,489 0.862,490 0.788,491 0.883,492 1.133,493 0.917,494 1.056,495 1.016,496 1.169,497 0.789,498 0.873,499 0.691,500 0.786,501 0.973,502 0.9,503 0.747,504 0.833,505 0.852,506 0.857,507 0.801,508 0.857,509 0.984,510 1.176,511 0.929,512 1.031,513 0.894,514 1.067,515 1.573,516 1.106,517 1.016,518 1.014,519 1.538,520 1.139,521 0.852,522 1.023,523 1.271,524 1.194,525 0.962,526 1.065,527 3.5,528 0.04,529 2.222,530 0.757,531 0.703,532 0.58,533 0.374,534 0.107,535 0.121,536 0.055,537 3257,538 7268,539 2.113,540 48.6,542 12,543 3,545 1,547 2,550 1.604,551 2,552 2.998,553 -0.353,555 1,557 1,559 51.691,560 1.397,561 3.402,562 4.358,563 4.628,564 4.628,565 4.628,566 2.465,567 3.722,568 4.216,569 3.133,570 535.704,571 7.187,572 5224.68,573 1,574 1,575 1,576 1,577 192.75,578 1.324,579 4.189,580 0.167,581 0.01,582 0.077,583 0.03,584 0.031,585 0.028,586 0.019,587 0.008,588 0.015,589 0.009,590 0.392,591 0.83,592 1,593 1.236,594 81.996,595 0.035,596 -0.076,597 0.083,598 0.036,599 -0.039,600 0.031,601 -0.259,602 0.289,603 -0.022,604 0.158,605 0.048,606 0.153,607 -0.109,608 -0.172,609 -0.163,610 -0.188,611 -0.117,612 -0.213,613 0.027,614 0.041,615 0.093,616 0.084,617 0.009,618 0.065,619 0.169,620 0.11,621 0.096,622 0.103,623 0.128,624 0.122,625 0.011,626 -0.191,627 -0.029,628 -0.101,629 0.072,630 -0.109,631 -0.201,632 -0.087,633 -0.094,634 -0.112,635 -0.357,636 -0.213,637 -0.014,638 -0.101,639 -0.106,640 -0.107,641 -0.023,642 -0.055,643 0.437,644 0.868,645 0.737,646 13.978,647 0.982,648 1.115,649 2.627,650 6.902,651 0.696,652 3.091,653 3.401,654 3.664,655 3.932,656 4.078,657 4.22,658 4.344,659 4.443,660 4.357,661 4.263,662 4.872,663 0.634,664 270.43,665 3.091,666 4.615,667 5.46,668 6.333,669 7.203,670 8.085,671 8.965,672 9.852,673 10.738,674 11.627,675 5.4,678 1,683 1,687 2,688 7,690 1,692 1,693 3,695 15,714 37,716 15,717 1,718 21,720 39,721 16,722 12,723 3,724 3,730 3,731 4,743 1,745 12,746 4,760 1,761 1,764 18,765 1,766 1,767 3,768 1,773 2,777 0.667,788 1,792 2,793 1,796 1,815 1,819 2,821 1,823 2,827 19,833 2,838 1,842 1,854 9.5,855 7.2,856 4.167,857 2.125,858 2.834,859 1.428,860 1.019,861 3.601,862 9.45,863 3.384,864 4.016,865 4.663,866 5.307,867 5.75,868 6.206,869 6.682,870 7.119,871 7.284,872 7.483,873 1,874 25,875 7.01,877 2.886,878 7.377,879 13.948,881 11.492,883 1.877,884 35.667,885 0.003,888 200.109,889 129.235,890 19.91,894 31.278,895 97.957,896 200.109,897 19.91,898 16.793,899 4.64,900 62.251,902 32.04,903 37.457,904 196.073,906 200.109,907 117.867,909 31.278,911 176.567,912 23.542,915 24.55,916 93.317,918 31.278,919 200.109,920 19.91,921 129.235,924 200.109,925 50.192,926 82.168,927 16.786,929 200.109,930 19.91,931 129.235,933 0.577,934 0.322,935 0.174,936 0.09,937 15,938 6,939 0.103,940 4,941 1,942 1.143,943 3.207,944 139.747,945 0.143,946 14,947 78.711,948 1,951 12.733,952 5.374,953 2.685,954 2.582,955 3.124,956 15.331,958 3.368,960 1.746,961 4.02,963 16.786,964 349.254,965 28.5,975 36.349,976 41.238,977 0.268,978 0.653,979 0.837,980 0.888,981 0.888,982 0.888,983 4.593,984 0.732,985 5.434,986 2.182,987 4.078,988 4.7,989 0.673,990 6.229,991 3.997,992 5.801,993 0.618,994 6.978,995 1.724,996 3.611,997 4.477,998 0.325,999 7.111,1000 3.549,1001 7.104,1002 0.351,1003 8.625,1004 1.372,1005 5.645,1006 6.968,1007 0.379,1008 10.205,1009 5.533,1010 8.452,1011 -0.527,1012 10.334,1013 0.823,1014 6.043,1015 7.684,1016 0.268,1017 11.958,1018 5.947,1019 9.837,1020 -0.83,1021 12.085,1022 -1.34,1023 7.515,1024 9.571,1025 0.239,1026 14.549,1027 7.389,1028 11.249,1029 -1,1030 13.864,1031 -2,1032 8.302,1033 10.715,1034 0.188,1035 16.642,1036 8.187,1037 12.682,1038 -1.069,1039 15.664,1040 -2.567,1041 9.557,1042 12.365,1043 0.156,1044 19.063,1045 9.423,1046 3.119,1047 -1.386,1048 17.48,1049 -2.92,1050 10.525,1051 13.706,1052 0.125,1053 21.294,1054 10.393,1055 2.753,1056 10.432,1057 19.306,1058 -3.218,1059 11.694,1060 15.261,1061 0.102,1062 23.655,1063 11.548,1064 2.244,1065 8.885,1066 21.142,1067 4.518,1068 12.746,1069 16.69,1070 0.082,1071 25.943,1072 12.596,1073 1.948,1074 6.078,1075 22.984,1076 3.732,1077 13.883,1078 18.21,1079 0.066,1080 28.284,1081 13.722,1082 1.768,1083 5.024,1084 24.831,1085 2.815,1086 14.973,1087 19.679,1088 0.054,1089 30.597,1090 14.805,1091 1.267,1092 4.653,1093 26.683,1094 2.595,1095 16.1,1096 21.186,1097 0.043,1098 32.932,1099 15.921,1100 0.956,1101 3.398,1102 28.538,1103 2.182,1104 17.208,1105 22.674,1106 0.035,1107 35.258,1108 17.021,1109 3205,1110 4882,1111 14.216,1112 25.75,1113 31.859,1114 31.305,1115 31.738,1116 31.461,1117 31.512,1118 42.728,1119 1.6,1120 89.142,1121 29.991,1122 5.4,1123 5.179,1124 6.163,1125 5.173,1126 5.119,1127 7.518,1128 1.2,1129 17.102,1130 5.083,1131 7.683,1132 1.517,1133 1.491,1134 1.511,1135 1.498,1136 1.501,1137 2.035,1138 0.076,1139 4.245,1140 1.428,1141 4.146,1142 4.176,1143 4.23,1144 4.088,1145 4.973,1146 4.082,1147 3.824,1148 3.838,1149 4.048,1150 3.848,1151 4.654,1152 3.777,1153 3.643,1154 3.727,1155 3.511,1156 3.456,1157 4.322,1158 3.449,1159 3.343,1160 3.397,1161 3.306,1162 3.225,1163 4.174,1164 3.211,1165 3.112,1166 3.205,1167 2.961,1168 2.921,1169 3.799,1170 2.907,1171 2.874,1172 3.009,1173 2.691,1174 2.734,1175 3.508,1176 2.709,1177 2.857,1178 2.925,1179 2.579,1180 2.618,1181 3.467,1182 2.57,1183 2.505,1184 2.59,1185 2.499,1186 2.372,1187 3.258,1188 2.347,1189 0.218,1190 0.151,1191 0.313,1192 0.196,1193 0.149,1194 4.569,1195 0.215,1196 3.179,1197 0.038,1198 6.566,1199 0.497,1200 4.107,1201 0.147,1202 3.119,1203 4.518,1204 0.8,1205 10.432,1206 3.083,1207 1.967,1208 1.949,1209 2.047,1210 2.031,1211 1.266,1212 2.038,1213 1.691,1214 1.629,1215 1.906,1216 1.901,1217 1.102,1218 1.909,1219 1.466,1220 1.421,1221 1.692,1222 1.697,1223 0.791,1224 1.698,1225 1.433,1226 1.363,1227 1.59,1228 1.548,1229 0.692,1230 1.568,1231 1.305,1232 1.314,1233 1.417,1234 1.343,1235 0.552,1236 1.417,1237 1.056,1238 0.965,1239 1.396,1240 1.241,1241 0.494,1242 1.316,1243 0.934,1244 0.804,1245 1.23,1246 1.239,1247 0.469,1248 1.308,1249 0.853,1250 0.789,1251 1.113,1252 1.033,1253 0.192,1254 1.068,1255 3.761,1257 5.069,1258 3.045,1259 6.555,1260 5.283,1261 8.131,1262 7.286,1263 9.762,1265 4.233,1271 2.162,1276 2.224,1280 23.444,1281 51.691,1282 125.879,1283 161.24,1284 171.24,1285 171.24,1286 171.24,1287 19.086,1288 6.616,1289 19.03,1290 47.27,1291 16,1292 12.158,1293 4,1294 3.087,1295 27.781,1296 54,1297 54,1298 0.257,1299 149.223,1300 240.25,1301 355.864,1302 5589,1304 13.242,1305 0.697,1306 0.638,1307 13.596,1308 12.128,1309 9.237,1310 0.44,1311 0.355,1312 6.536,1313 8.55,1314 6.179,1315 5.192,1316 9.737,1317 7.454,1318 8.35,1319 0.288,1320 0.204,1321 8.848,1322 5.92,1323 6.784,1324 0.179,1325 0.109,1326 7.298,1327 4.134,1328 5.643,1329 0.113,1330 0.06,1331 6.239,1332 3.003,1333 4.179,1334 0.072,1335 0.032,1336 4.505,1337 1.841,1338 0.392,1339 61.659,1340 0.265,1341 18.91,1342 0.733,1343 100,1344 218.838,1345 122.078,1346 243.647,1347 340.55,1348 230,1349 117,1350 239.437,1351 135.863,1352 264.816,1353 381.5,1354 246,1355 9.301} {0 CHEMBL173162,1 1.385,2 8.667,3 4.277,4 18.288,5 92.762,6 7.55,7 0.625,8 3.762,9 3.879,10 3.424,11 3.438,12 4.732,13 3.362,14 4.301,15 4.468,16 3.768,17 3.855,18 5.195,19 3.749,20 4.491,21 4.711,22 3.604,23 3.889,24 5.266,25 3.726,26 4.515,27 4.76,28 3.542,29 3.851,30 5.266,31 3.672,32 4.458,33 4.721,34 3.466,35 3.752,36 5.183,37 3.573,38 4.287,39 4.517,40 3.535,41 3.674,42 5.075,43 3.526,44 4.285,45 4.51,46 3.332,47 3.62,48 5.103,49 3.452,50 4.192,51 4.462,52 2.95,53 3.401,54 4.894,55 3.182,56 0.042,57 0.541,58 8.59,59 3.73,60 6.137,61 4.949,62 0.111,63 0.949,64 16.793,65 6.577,66 11.513,67 8.564,68 0.118,69 1.096,70 21.652,71 8.772,72 13.338,73 11.594,74 0.123,75 1.111,76 23.051,77 9.262,78 16.014,79 12.251,80 0.142,81 1.049,82 21.635,83 8.7,84 15.658,85 11.664,86 0.103,87 0.9,88 17.621,89 6.94,90 11.83,91 9.375,92 0.122,93 0.928,94 19.592,95 7.156,96 14.671,97 9.031,98 0.117,99 0.811,100 17.783,101 6.601,102 13.374,103 8.806,105 33,106 0.245,107 0.625,108 0.8,109 0.853,110 0.853,111 0.853,112 3.104,113 1.037,114 -4.53,115 -4.45,116 -4.19,119 46.2,121 1,125 3,134 2,140 5,141 3,149 2,150 2,169 8,172 3,176 3,178 10,182 1,186 3,189 10,193 1,197 1,199 11,203 1,206 1,211 7,215 2,220 2,222 5,226 1,231 3,233 3,237 2,244 4,249 1,256 2,259 574,260 14.792,261 14.792,262 14.792,263 14.792,264 14.792,265 12.845,266 10.169,267 8.869,268 15.164,269 11.886,270 11.886,271 11.886,272 11.886,273 11.886,274 9.014,275 10.371,276 4.237,277 12.485,278 3.9,279 1.747,280 0.759,281 0.462,282 0.462,283 0.462,284 3.805,288 1,289 1,290 409,291 2.236,294 150.615,295 49.857,298 78.328,302 1.492,303 6.47,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 43,315 182,316 4.569,317 3.184,318 6.566,319 4.103,320 3.119,321 4.518,322 0.995,323 10.433,324 3.071,325 4.129,326 2.948,327 6.096,328 3.702,329 2.755,330 3.732,331 0.359,332 8.885,333 2.607,334 3.639,335 2.771,336 5.368,337 3.463,338 2.534,339 2.826,341 7.026,342 2.354,343 3.412,344 2.171,345 5.106,346 2.986,347 2.009,348 2.687,350 5.948,351 1.957,352 3.246,353 1.785,354 4.514,355 2.72,356 1.774,357 2.581,359 4.654,360 1.665,361 2.786,362 1.599,363 4.127,364 2.333,365 1.348,366 1.858,368 3.457,369 1.326,370 2.69,371 1.289,372 3.522,373 2.184,374 1.214,375 1.652,377 2.755,378 1.174,379 2.397,380 1.227,381 3.335,382 1.896,383 0.939,384 1.347,386 2.161,387 0.888,388 2.13,389 0.982,390 3.207,391 1.658,392 0.705,393 0.974,395 1.684,396 0.666,397 2.118,398 0.762,399 3,400 1.591,401 0.618,402 0.927,404 1.372,405 0.6,406 1.618,407 0.618,408 3,409 1.462,410 0.618,411 0.618,413 1.372,414 0.506,415 1.597,416 0.391,417 2.907,418 1.3,419 0.329,420 0.406,422 0.796,423 0.318,424 0.861,425 -0.332,426 2.435,427 0.451,428 -0.514,429 -0.658,431 -1.322,432 -0.493,433 0.635,434 -0.733,435 2.201,436 0.175,437 -0.815,438 -1.091,440 -2.416,441 -0.805,442 0.294,443 -0.93,444 2,445 -0.043,446 -1.011,447 -1.363,449 -2.731,450 -0.977,451 10.633,452 0.506,453 0.359,454 0.017,455 26.25,456 1.25,457 13,458 0.619,459 13.25,460 0.631,461 16.185,462 0.771,463 21.167,464 0.543,465 15.123,466 0.72,467 5.055,468 0.241,469 5.344,470 0.254,473 0.273,479 1.034,480 1.083,481 0.761,482 0.843,483 0.897,484 0.854,485 1.5,486 0.989,487 0.972,488 0.887,489 1.006,490 0.91,491 1.047,492 1.041,493 1.027,494 1.043,495 0.861,496 1.087,497 0.911,498 0.97,499 0.949,500 0.972,501 1.014,502 1.001,503 0.747,504 0.855,505 0.797,506 0.844,507 0.936,508 0.898,509 0.839,510 1.029,511 0.759,512 0.882,513 0.843,514 0.907,515 1.529,516 1.224,517 1.334,518 1.236,519 1.263,520 1.158,521 1.092,522 1.05,523 1.094,524 1.112,525 1.321,526 1.131,527 3,528 0.014,529 2.222,530 0.729,531 0.668,532 0.5,533 0.292,534 0.085,535 0.097,536 0.037,537 4909,538 10571,539 2.246,540 46.2,542 13,543 2,545 1,547 2,550 1.631,551 2.211,552 3.134,553 -0.385,555 1,559 54.013,560 1.385,561 3.538,562 4.526,563 4.824,564 4.824,565 4.824,566 2.529,567 3.916,568 4.363,569 3.287,570 690.251,571 7.469,572 7319.98,574 1,576 1,577 206.131,578 0.863,579 4.366,580 0.125,581 0.002,582 0.067,583 0.027,584 0.027,585 0.022,586 0.012,587 0.004,588 0.008,589 0.004,590 0.298,591 0.67,592 1,594 94.831,595 0.03,596 -0.041,597 0.083,598 0.05,599 0.044,600 0.048,601 -0.193,602 0.078,603 -0.036,604 0.038,605 -0.078,607 -0.127,608 -0.073,609 -0.12,610 -0.105,611 0.007,612 -0.127,613 -0.038,614 -0.021,615 -0.024,616 -0.018,617 -0.034,618 -0.021,619 0.161,620 0.087,621 0.094,622 0.087,623 0.025,624 0.084,625 0.145,626 -0.059,627 0.147,628 0.051,629 0.105,630 0.056,631 -0.211,632 -0.183,633 -0.262,634 -0.235,635 -0.128,636 -0.21,637 -0.094,638 -0.095,639 -0.134,640 -0.151,641 -0.273,642 -0.15,643 0.426,644 0.905,645 0.905,646 16.667,647 0.983,648 1.109,649 3.296,650 10.864,651 0.712,652 3.219,653 3.526,654 3.829,655 4.094,656 4.174,657 4.331,658 4.489,659 4.635,660 4.644,661 4.635,662 5.381,663 0.652,664 294.45,665 3.219,666 4.745,667 5.602,668 6.472,669 7.344,670 8.221,671 9.1,672 9.981,673 10.863,674 11.748,675 5.1,678 1,683 1,687 2,688 7,690 1,692 1,693 3,695 15,714 39,716 16,717 1,718 24,720 42,721 18,722 12,723 3,724 3,730 4,731 5,743 1,745 14,746 4,750 1,757 2,761 1,764 18,765 1,766 1,767 3,768 1,773 2,777 0.75,788 1,792 3,793 1,796 1,810 2,815 1,819 3,821 1,827 21,833 4,838 1,842 1,854 9.5,855 6.867,856 4.583,857 2.383,858 3.017,859 1.427,860 1.061,861 3.556,862 10.08,863 3.512,864 4.119,865 4.754,866 5.379,867 5.781,868 6.234,869 6.718,870 7.171,871 7.375,872 7.615,873 0.833,874 27,875 7.769,877 3.301,878 7.341,879 15.581,881 13.304,883 1.841,884 38.667,885 0.002,888 200.109,889 135.606,890 19.91,894 31.278,895 104.329,896 200.109,897 19.91,899 8.852,900 83.03,902 28.854,903 27.045,904 207.844,906 200.109,907 124.238,909 31.278,911 176.567,912 23.542,915 28.761,916 76.524,917 18.952,918 31.278,919 200.109,920 19.91,921 135.606,924 200.109,925 52.576,926 86.155,927 16.786,929 200.109,930 19.91,931 135.606,933 0.575,934 0.34,935 0.187,936 0.082,937 18,938 6,939 0.095,940 4,941 1,942 1.105,943 3.542,944 165.098,945 0.105,946 19,947 88.239,948 1,951 13.141,952 5.683,953 2.646,954 2.609,955 3.124,956 15.348,958 3.405,960 1.8,961 4.087,963 16.786,964 355.625,965 32.5,972 4.508,975 38.349,976 43.238,977 0.262,978 0.669,979 0.856,980 0.913,981 0.913,982 0.913,983 4.725,984 0.939,985 5.557,986 2.755,987 4.205,988 4.804,989 1.114,990 6.344,991 4.118,992 5.915,993 0.705,994 7.091,995 2.161,996 3.611,997 4.477,998 0.325,999 7.182,1000 3.496,1001 7.209,1002 0.618,1003 8.728,1004 1.684,1005 5.765,1006 7.03,1007 0.897,1008 10.29,1009 5.612,1010 8.546,1011 0.618,1012 10.429,1013 1.372,1014 6.111,1015 7.702,1016 0.504,1017 12.022,1018 5.928,1019 9.922,1020 0.329,1021 12.172,1022 1.372,1023 7.621,1024 9.601,1025 0.792,1026 14.602,1027 7.417,1028 11.325,1029 -0.514,1030 13.945,1031 0.796,1032 8.382,1033 10.727,1034 0.585,1035 16.681,1036 8.155,1037 12.749,1038 -0.815,1039 15.738,1040 -1.322,1041 9.646,1042 12.378,1043 0.735,1044 19.092,1045 9.404,1046 3.119,1047 -1.011,1048 17.546,1049 -2.416,1050 10.597,1051 13.711,1052 0.622,1053 21.314,1054 10.339,1055 2.755,1056 10.433,1057 19.366,1058 -2.731,1059 11.766,1060 15.266,1061 0.703,1062 23.67,1063 11.496,1064 2.534,1065 8.885,1066 21.194,1067 4.518,1068 12.805,1069 16.693,1070 0.639,1071 25.953,1072 12.524,1073 2.009,1074 7.026,1075 23.03,1076 3.732,1077 13.938,1078 18.212,1079 0.683,1080 28.291,1081 13.647,1082 1.774,1083 5.948,1084 24.871,1085 2.826,1086 15.019,1087 19.68,1088 0.646,1089 30.602,1090 14.718,1091 1.348,1092 4.654,1093 26.718,1094 2.687,1095 16.141,1096 21.187,1097 0.67,1098 32.936,1099 15.831,1100 1.214,1101 3.457,1102 28.568,1103 2.581,1104 17.243,1105 22.674,1106 0.648,1107 35.261,1108 16.924,1109 4525,1110 6740,1111 16.989,1112 27.75,1113 36.164,1114 36.216,1115 35.495,1116 35.897,1117 35.927,1118 48.252,1119 2.707,1120 101.086,1121 34.266,1122 5.476,1123 5.184,1124 6.196,1125 5.175,1126 5.119,1127 7.518,1128 1.754,1129 17.105,1130 5.071,1132 1.507,1133 1.509,1134 1.479,1135 1.496,1136 1.497,1137 2.011,1138 0.113,1139 4.212,1140 1.428,1141 4.147,1142 4.177,1143 4.252,1144 4.092,1145 4.972,1146 4.082,1147 3.85,1148 3.907,1149 4.032,1150 3.848,1151 4.659,1152 3.779,1153 3.809,1154 3.827,1155 3.733,1156 3.691,1157 4.523,1158 3.69,1159 3.422,1160 3.474,1161 3.327,1162 3.338,1163 4.202,1164 3.321,1165 3.212,1166 3.29,1167 3.075,1168 3.036,1169 3.886,1170 3.034,1171 2.898,1172 2.961,1173 2.768,1174 2.781,1175 3.645,1176 2.77,1177 2.742,1178 2.856,1179 2.682,1180 2.536,1181 3.232,1182 2.499,1183 2.571,1184 2.681,1185 2.446,1186 2.378,1187 3.179,1188 2.361,1189 0.19,1190 0.133,1191 0.274,1192 0.171,1193 0.13,1194 4.569,1195 0.188,1196 3.184,1197 0.041,1198 6.566,1199 0.435,1200 4.103,1201 0.128,1202 3.119,1203 4.518,1204 0.995,1205 10.433,1206 3.071,1207 1.962,1208 1.945,1209 2.035,1210 2.023,1211 1.269,1212 2.031,1213 1.675,1214 1.618,1215 1.868,1216 1.868,1217 1.109,1218 1.873,1219 1.539,1220 1.489,1221 1.759,1222 1.672,1223 0.914,1224 1.705,1225 1.471,1226 1.43,1227 1.641,1228 1.653,1229 0.821,1230 1.648,1231 1.403,1232 1.344,1233 1.604,1234 1.566,1235 0.694,1236 1.593,1237 1.307,1238 1.298,1239 1.39,1240 1.367,1241 0.579,1242 1.418,1243 1.007,1244 0.927,1245 1.183,1246 1.168,1247 0.486,1248 1.244,1249 0.843,1250 0.78,1251 1.103,1252 1.021,1253 0.181,1254 1.06,1255 3.892,1257 5.198,1258 3.434,1259 6.683,1260 5.638,1261 8.255,1262 7.591,1263 9.878,1271 4.435,1276 2.474,1280 25.444,1281 54.013,1282 137.992,1283 176.521,1284 188.131,1285 188.131,1286 188.131,1287 19.875,1288 7.063,1289 19.03,1290 47.27,1291 21,1292 12.281,1293 4.087,1294 3.248,1295 28.045,1296 66,1297 61,1298 0.205,1299 158.087,1300 259.85,1301 377.492,1302 10579,1304 14.071,1305 0.67,1306 0.605,1307 14.424,1308 12.697,1309 10.399,1310 0.433,1311 0.346,1312 7.44,1313 9.736,1314 7.184,1315 5.927,1316 10.853,1317 8.292,1318 9.107,1319 0.276,1320 0.196,1321 9.69,1322 6.48,1323 8.089,1324 0.18,1325 0.113,1326 8.771,1327 5.083,1328 6.844,1329 0.116,1330 0.063,1331 7.489,1332 3.688,1333 4.629,1334 0.072,1335 0.033,1336 4.961,1337 2.084,1338 0.318,1339 68.002,1340 0.243,1341 20.884,1342 0.572,1343 114,1344 242.838,1345 140.085,1346 266.888,1347 379.81,1348 254,1349 135,1350 272.485,1351 157.869,1352 295.889,1353 434.09,1354 280,1355 8.347} {0 CHEMBL173656,1 1.332,2 8.87,3 5.206,4 27.103,5 100.789,6 6.905,7 0.577,8 3.926,9 4.054,10 3.503,11 3.567,12 4.829,13 3.479,14 4.507,15 4.696,16 3.878,17 4.001,18 5.312,19 3.884,20 4.768,21 5.01,22 3.786,23 4.1,24 5.486,25 3.938,26 4.83,27 5.081,28 3.687,29 4.118,30 5.521,31 3.913,32 4.867,33 5.178,34 3.571,35 4.008,36 5.475,37 3.782,38 4.631,39 4.919,40 3.658,41 3.883,42 5.296,43 3.708,44 4.479,45 4.685,46 3.564,47 3.854,48 5.294,49 3.695,50 4.58,51 4.854,52 3.23,53 3.751,54 5.273,55 3.531,56 0.057,57 0.666,58 11.561,59 4.852,60 7.921,61 6.648,62 0.129,63 1.168,64 22.199,65 8.625,66 12.953,67 11.738,68 0.195,69 1.448,70 29.229,71 11.01,72 17.921,73 15.181,74 0.154,75 1.483,76 30.849,77 12.628,78 19.495,79 17.213,80 0.197,81 1.478,82 32.526,83 12.998,84 21.691,85 17.823,86 0.148,87 1.206,88 25.861,89 9.983,90 16.341,91 13.827,92 0.13,93 1.116,94 22.983,95 8.633,96 16.508,97 11.509,98 0.188,99 1.172,100 24.894,101 8.8,102 19.277,103 12.377,104 5,105 37,106 0.228,107 0.582,108 0.779,109 0.821,110 0.821,111 0.821,112 3.189,113 1.096,114 -5.07,115 -4.96,116 -4.65,119 42.6,120 2,121 3,125 1,127 2,140 5,141 3,149 2,150 2,169 8,172 5,176 3,178 12,182 1,186 3,189 12,193 1,197 1,199 14,203 1,206 1,211 9,215 2,220 2,222 7,226 1,231 5,233 5,237 2,244 8,249 1,256 4,259 702,260 15.792,261 15.792,262 15.792,263 15.792,264 15.792,265 14.104,266 13.066,267 9.178,268 16.17,269 12.814,270 12.814,271 12.814,272 12.814,273 12.814,274 10.276,275 18.367,276 4.327,277 13.426,278 4.223,279 2.154,280 1.003,281 0.756,282 0.756,283 0.756,284 3.885,288 1,289 1,290 451,291 2.449,294 167.648,295 55.883,298 87.287,302 1.539,303 7.623,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 47,315 204,316 4.569,317 3.266,318 6.568,319 4.106,320 3.123,321 4.518,322 0.8,323 10.436,324 3.072,325 4.13,326 3.154,327 6.408,328 3.932,329 2.988,330 3.732,332 9.699,333 2.819,334 3.992,335 2.777,336 6.095,337 3.696,338 2.749,339 3.001,341 8.883,342 2.6,343 3.423,344 2.18,345 5.129,346 3.01,347 2.031,348 2.8,350 6.005,351 1.982,352 3.247,353 1.825,354 4.732,355 2.722,356 1.776,357 2.588,359 4.726,360 1.694,361 2.744,362 1.785,363 4.515,364 2.711,365 1.732,366 1.849,368 4.655,369 1.666,370 2.732,371 1.5,372 4.162,373 2.383,374 1.407,375 1.732,377 3.646,378 1.371,379 2.459,380 1.271,381 4.01,382 2.193,383 1.226,384 1.451,386 3.244,387 1.183,388 2.347,389 0.975,390 3.359,391 1.896,392 0.939,393 1.302,395 2.174,396 0.889,397 2.118,398 0.763,399 3.247,400 1.674,401 0.717,402 0.947,404 1.723,405 0.681,406 2.09,407 0.618,408 3.075,409 1.463,410 0.618,411 0.927,413 1.372,414 0.506,415 1.584,416 0.466,417 3,418 1.389,419 0.417,420 0.485,422 0.996,423 0.404,424 0.963,425 -0.065,426 2.437,427 0.802,428 -0.178,429 -0.191,431 -0.41,432 -0.174,433 0.738,434 -0.548,435 2.373,436 0.375,437 -0.599,438 -0.766,440 -1.513,441 -0.581,442 0.582,443 -0.801,444 2.059,445 0.136,446 -0.858,447 -1,449 -2.414,450 -0.853,451 11.633,452 0.506,453 0.538,454 0.023,455 26.25,456 1.141,457 12,458 0.522,459 14.25,460 0.62,461 22.378,462 0.973,463 24.367,464 0.518,465 14.657,466 0.637,467 4.516,468 0.196,469 6.704,470 0.291,471 0.086,473 0.335,479 1.042,480 1.157,481 0.831,482 0.933,483 1.058,484 0.956,485 1.311,486 1.087,487 0.925,488 0.927,489 0.774,490 0.934,491 1.537,492 0.928,493 1.009,494 0.916,495 0.897,496 0.983,497 0.874,498 1.105,499 1.007,500 1.091,501 0.981,502 1.151,503 0.615,504 0.782,505 0.699,506 0.763,507 0.809,508 0.815,509 0.668,510 0.806,511 0.601,512 0.691,513 0.675,514 0.702,515 1.397,516 1.39,517 1.318,518 1.319,519 1.31,520 1.247,521 1.678,522 1.045,523 1.143,524 1.072,525 1.671,526 1.158,527 4,528 0.066,529 3.333,530 1.549,531 0.668,532 0.611,533 0.426,534 0.229,535 0.139,536 0.148,537 6031,538 11380,539 2.168,540 51.1,542 9,543 2,545 1,547 12,550 1.657,551 2.06,552 3.141,553 -0.412,559 62.588,560 1.332,561 3.4,562 4.552,563 4.799,564 4.799,565 4.799,566 2.496,567 3.828,568 4.498,569 3.346,570 846.429,571 7.74,572 9659.34,577 261.066,578 1.302,579 4.469,580 0.154,581 0.006,582 0.09,583 0.047,584 0.024,585 0.024,586 0.015,587 0.009,588 0.009,589 0.011,590 0.388,591 0.5,592 1,593 0.503,594 107.387,595 0.059,596 -0.041,597 0.09,598 0.048,599 -0.012,600 0.048,601 -0.019,602 0.001,603 0.049,604 0.048,605 0.151,606 0.045,607 -0.24,608 0.106,609 -0.089,610 0.009,611 0.018,612 -0.029,613 -0.074,614 -0.15,615 -0.12,616 -0.147,617 -0.046,618 -0.17,619 0.196,620 0.118,621 0.157,622 0.144,623 0.109,624 0.151,625 0.242,626 0.132,627 0.293,628 0.239,629 0.25,630 0.27,631 -0.12,632 -0.323,633 -0.262,634 -0.307,635 -0.136,636 -0.271,637 -0.311,638 -0.04,639 -0.234,640 -0.173,641 -0.458,642 -0.224,643 0.6,644 0.943,645 0.826,646 18.155,647 0.979,648 1.117,649 3.836,650 14.713,651 0.682,652 3.296,653 3.638,654 3.951,655 4.205,656 4.277,657 4.407,658 4.575,659 4.727,660 4.787,661 4.796,662 5.676,663 0.618,664 324.53,665 3.296,666 4.844,667 5.714,668 6.597,669 7.478,670 8.365,671 9.25,672 10.139,673 11.026,674 11.917,675 4.3,678 1,683 1,687 2,688 7,690 1,692 1,693 3,695 15,714 47,716 15,717 1,718 26,720 50,721 20,722 12,723 3,724 3,730 4,731 5,736 2,740 4,743 5,745 12,746 8,764 24,765 1,766 1,767 3,768 1,773 2,777 0.75,788 1,789 1,792 3,793 1,796 1,815 1,819 3,821 1,823 2,827 23,833 4,837 2,838 1,842 1,854 11.167,855 8.867,856 4.972,857 3.122,858 2.795,859 1.384,860 1.013,861 4.186,862 10.08,863 3.541,864 4.151,865 4.779,866 5.383,867 5.79,868 6.242,869 6.727,870 7.178,871 7.389,872 7.62,873 0.833,874 33,875 8.54,877 3.627,878 7.297,879 17.313,881 15.025,883 1.797,884 41.333,885 0.001,888 270.735,889 135.162,890 19.91,894 31.278,895 103.884,896 270.735,897 19.91,898 17.65,899 9.709,900 64.078,902 28.854,903 27.045,904 278.471,906 270.735,907 123.794,909 31.278,911 129.482,912 141.253,915 47.27,916 76.524,918 31.278,919 270.735,920 19.91,921 135.162,924 270.735,925 53.434,926 84.852,927 16.786,929 270.735,930 19.91,931 135.162,933 0.589,934 0.356,935 0.189,936 0.083,937 20,938 8,939 0.08,940 4,941 1,942 1.105,943 3.622,944 188.91,945 0.105,946 19,947 98.042,948 1,951 15.254,952 6.312,953 2.935,954 2.637,955 3.124,956 15.462,958 3.443,960 1.809,961 4.127,963 16.786,964 425.807,965 33.5,975 46,976 52.484,977 0.24,978 0.612,979 0.82,980 0.864,981 0.864,982 0.864,983 4.785,984 1.226,985 5.7,986 3.646,987 4.317,988 4.836,989 0.673,990 6.526,991 4.235,992 5.98,993 0.939,994 7.27,995 3.244,996 3.892,997 4.605,998 0.325,999 7.455,1000 3.779,1001 7.285,1002 0.717,1003 8.941,1004 2.174,1005 5.927,1006 7.051,1007 0.379,1008 10.554,1009 5.773,1010 8.63,1011 0.618,1012 10.672,1013 1.723,1014 6.382,1015 7.759,1016 0.268,1017 12.33,1018 6.186,1019 10.013,1020 0.417,1021 12.44,1022 1.372,1023 7.843,1024 9.619,1025 0.239,1026 14.914,1027 7.621,1028 11.42,1029 -0.178,1030 14.235,1031 0.996,1032 8.675,1033 10.755,1034 0.188,1035 17.01,1036 8.413,1037 12.847,1038 -0.599,1039 16.047,1040 -0.41,1041 9.921,1042 12.391,1043 0.156,1044 19.421,1045 9.637,1046 3.123,1047 -0.858,1048 17.872,1049 -1.513,1050 10.914,1051 13.725,1052 0.125,1053 21.644,1054 10.596,1055 2.988,1056 10.436,1057 19.706,1058 -2.414,1059 12.078,1060 15.274,1061 0.102,1062 23.992,1063 11.738,1064 2.749,1065 9.699,1066 21.547,1067 4.518,1068 13.139,1069 16.7,1070 0.082,1071 26.268,1072 12.772,1073 2.031,1074 8.883,1075 23.393,1076 3.732,1077 14.272,1078 18.217,1079 0.066,1080 28.596,1081 13.883,1082 1.776,1083 6.005,1084 25.243,1085 3.001,1086 15.363,1087 19.683,1088 0.054,1089 30.896,1090 14.951,1091 1.732,1092 4.726,1093 27.097,1094 2.8,1095 16.485,1096 21.189,1097 0.043,1098 33.218,1099 16.053,1100 1.407,1101 4.655,1102 28.952,1103 2.588,1104 17.59,1105 22.676,1106 0.035,1107 35.53,1108 17.138,1109 5645,1110 7911,1111 17.8,1112 32.035,1113 39.949,1114 39.423,1115 40.293,1116 39.368,1117 39.45,1118 50.662,1119 1.6,1120 115.116,1121 37.734,1122 5.52,1123 5.266,1124 6.164,1125 5.178,1126 5.123,1127 7.518,1128 1.2,1129 17.113,1130 5.072,1131 8.537,1132 1.537,1133 1.516,1134 1.55,1135 1.514,1136 1.517,1137 1.949,1138 0.062,1139 4.428,1140 1.451,1141 4.148,1142 4.179,1143 4.253,1144 4.093,1145 4.972,1146 4.083,1147 3.903,1148 3.965,1149 4.033,1150 3.849,1151 4.659,1152 3.784,1153 3.817,1154 3.83,1155 3.785,1156 3.752,1157 4.411,1158 3.745,1159 3.434,1160 3.49,1161 3.331,1162 3.344,1163 4.198,1164 3.326,1165 3.289,1166 3.383,1167 3.079,1168 3.124,1169 3.857,1170 3.094,1171 3.221,1172 3.3,1173 3.052,1174 3.039,1175 3.855,1176 3.037,1177 2.978,1178 3.093,1179 2.772,1180 2.79,1181 3.609,1182 2.776,1183 2.891,1184 2.959,1185 2.682,1186 2.742,1187 3.47,1188 2.706,1189 0.176,1190 0.126,1191 0.253,1192 0.158,1193 0.12,1194 4.569,1195 0.174,1196 3.266,1197 0.031,1198 6.568,1199 0.401,1200 4.106,1201 0.118,1202 3.123,1203 4.518,1204 0.8,1205 10.436,1206 3.072,1207 1.962,1208 1.945,1209 2.037,1210 2.024,1211 1.286,1212 2.032,1213 1.714,1214 1.653,1215 1.917,1216 1.909,1217 1.258,1218 1.916,1219 1.651,1220 1.588,1221 1.914,1222 1.813,1223 1.159,1224 1.853,1225 1.529,1226 1.467,1227 1.752,1228 1.725,1229 0.971,1230 1.734,1231 1.47,1232 1.43,1233 1.64,1234 1.58,1235 0.694,1236 1.605,1237 1.327,1238 1.328,1239 1.463,1240 1.442,1241 0.584,1242 1.481,1243 1.117,1244 1.043,1245 1.455,1246 1.292,1247 0.584,1248 1.355,1249 1.017,1250 0.902,1251 1.214,1252 1.224,1253 0.532,1254 1.299,1255 3.97,1257 5.303,1258 3.434,1259 6.815,1260 5.733,1261 8.408,1262 7.751,1263 10.047,1265 4.737,1271 4.982,1275 1.466,1276 2.669,1280 29.025,1281 62.588,1282 159.805,1283 213.946,1284 225.556,1285 225.556,1286 225.556,1287 25.816,1288 7.285,1289 19.03,1290 47.27,1291 21,1292 12.446,1293 4,1294 3.087,1295 31.881,1296 78,1297 63,1298 0.2,1299 180.199,1300 297.09,1301 431.445,1302 14076,1304 15.811,1305 0.687,1306 0.639,1307 16.165,1308 14.697,1309 11.22,1310 0.432,1311 0.365,1312 8.649,1313 10.558,1314 8.282,1315 6.868,1316 11.674,1317 9.498,1318 10.152,1319 0.274,1320 0.21,1321 10.735,1322 7.762,1323 9.079,1324 0.178,1325 0.123,1326 9.76,1327 6.266,1328 7.586,1329 0.115,1330 0.07,1331 8.23,1332 4.644,1333 5.181,1334 0.073,1335 0.038,1336 5.513,1337 2.671,1338 0.311,1339 72.855,1340 0.237,1341 22.512,1342 0.555,1343 126,1344 244.838,1345 152.751,1346 269.003,1347 386.67,1348 256,1349 151,1350 284.189,1351 174.202,1352 306.534,1353 450.63,1354 291,1355 8.602} {0 CHEMBL174141,1 1.474,2 9.435,3 3.94,4 15.527,5 97.915,6 7.256,7 0.577,8 3.901,9 4.02,10 3.508,11 3.523,12 4.867,13 3.451,14 4.466,15 4.639,16 3.861,17 3.958,18 5.338,19 3.852,20 4.723,21 4.96,22 3.773,23 4.035,24 5.503,25 3.88,26 4.752,27 4.992,28 3.715,29 4.021,30 5.548,31 3.849,32 4.769,33 5.052,34 3.578,35 3.921,36 5.519,37 3.73,38 4.541,39 4.802,40 3.643,41 3.815,42 5.304,43 3.66,44 4.451,45 4.665,46 3.538,47 3.78,48 5.3,49 3.631,50 4.491,51 4.748,52 3.284,53 3.648,54 5.324,55 3.46,56 0.055,57 0.642,58 10.646,59 4.59,60 7.095,61 5.992,62 0.141,63 1.115,64 20.633,65 8.07,66 14.38,67 10.574,68 0.245,69 1.357,70 27.976,71 10.603,72 19.944,73 14.283,74 0.187,75 1.355,76 28.912,77 11.28,78 20.68,79 14.971,80 0.278,81 1.322,82 30.304,83 11.366,84 31.825,85 15.18,86 0.165,87 1.104,88 23.68,89 8.908,90 19.723,91 12.145,92 0.129,93 1.067,94 22.479,95 8.275,96 16.317,97 10.771,98 0.243,99 1.044,100 23.131,101 8.012,102 25.801,103 10.948,104 3,105 36,106 0.254,107 0.628,108 0.827,109 0.902,110 0.902,111 0.902,112 3.189,113 1.064,114 -4,115 -3.95,116 -3.75,119 42.2,121 3,125 3,127 1,140 5,141 3,149 2,150 2,169 8,172 3,176 3,178 10,182 1,184 1,186 4,189 10,193 1,197 2,199 11,203 1,206 1,208 1,211 7,215 2,220 3,222 5,226 1,231 4,233 3,237 2,241 1,242 1,244 4,249 1,254 2,256 2,259 715,260 16.162,261 16.162,262 16.162,263 16.162,264 16.162,265 14.475,266 10.795,267 9.528,268 16.55,269 12.785,270 12.785,271 12.785,272 12.785,273 12.785,274 10.246,275 12.237,276 4.412,277 13.432,278 4.018,279 1.853,280 0.702,281 0.267,282 0.267,283 0.267,284 3.889,287 1,288 1,289 1,290 481,291 2.55,294 168.243,295 56.07,298 87.585,302 1.546,303 12.031,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 48,315 217,316 4.569,317 3.2,318 6.566,319 4.104,320 3.12,321 4.518,322 0.8,323 10.434,324 3.071,325 4.129,326 3.1,327 6.143,328 3.8,329 2.86,330 3.732,332 9.023,333 2.689,334 3.859,335 2.776,336 6.094,337 3.693,338 2.746,339 2.883,341 8.877,342 2.596,343 3.422,344 2.185,345 5.13,346 3.011,347 2.033,348 2.783,350 6.01,351 1.983,352 3.247,353 1.807,354 4.515,355 2.723,356 1.778,357 2.587,359 4.655,360 1.667,361 2.749,362 1.764,363 4.351,364 2.485,365 1.532,366 1.851,368 4.093,369 1.456,370 2.553,371 1.354,372 4.108,373 2.249,374 1.275,375 1.557,377 3.384,378 1.239,379 2.39,380 1.248,381 3.478,382 2.161,383 1.186,384 1.348,386 2.558,387 1.153,388 2.225,389 0.975,390 3.349,391 1.895,392 0.939,393 1.209,395 2.168,396 0.888,397 2.118,398 0.8,399 3.23,400 1.657,401 0.705,402 0.946,404 1.698,405 0.666,406 2.087,407 0.757,408 3.013,409 1.462,410 0.618,411 0.927,413 1.372,414 0.506,415 1.522,416 0.618,417 3,418 1.32,419 0.358,420 0.407,422 0.844,423 0.342,424 1.288,425 0.395,426 2.553,427 1.159,428 0.264,429 0.274,431 0.395,432 0.235,433 0.849,434 -0.298,435 2.435,436 0.461,437 -0.499,438 -0.61,440 -1.246,441 -0.476,442 0.63,443 -0.709,444 2.247,445 0.193,446 -0.788,447 -0.965,449 -1.964,450 -0.768,451 11.467,452 0.499,453 0.41,454 0.018,455 26.5,456 1.152,457 12,458 0.522,459 14.5,460 0.63,461 20.529,462 0.893,463 24.533,464 0.545,465 15.735,466 0.684,467 4.843,468 0.211,469 6.505,470 0.283,471 0.029,473 0.297,479 1.01,480 1.127,481 0.809,482 0.894,483 0.952,484 0.911,485 1.129,486 1.067,487 0.978,488 0.935,489 0.876,490 0.966,491 0.853,492 0.949,493 0.962,494 0.939,495 0.635,496 0.998,497 0.963,498 1.053,499 0.978,500 1.036,501 0.98,502 1.082,503 1.099,504 0.78,505 0.799,506 0.764,507 1.284,508 0.848,509 0.756,510 0.894,511 0.685,512 0.767,513 0.768,514 0.796,515 0.937,516 1.315,517 1.251,518 1.274,519 0.694,520 1.19,521 1.09,522 1.069,523 1.091,524 1.098,525 1.042,526 1.152,527 3.5,528 0.052,529 2.889,530 1.076,531 0.793,532 0.555,533 0.359,534 0.157,535 0.149,536 0.103,537 6119,538 13620,539 2.196,540 48.9,542 12,543 2,545 2,547 6,550 1.656,551 2.123,552 3.231,553 0.235,555 1,559 66.315,560 1.474,561 3.639,562 4.789,563 5.225,564 5.225,565 5.225,566 2.703,567 4.089,568 4.496,569 3.392,570 858.103,571 7.737,572 9794.51,574 1,576 1,577 247.133,578 1.121,579 4.483,580 0.135,581 0.004,582 0.08,583 0.034,584 0.027,585 0.022,586 0.013,587 0.006,588 0.009,589 0.007,590 0.338,591 0.5,592 1,593 0.59,594 107.693,595 -0.061,596 -0.011,597 0.07,598 0.082,599 -0.068,600 0.065,601 -0.144,602 0.03,603 -0.035,604 0.04,605 -0.088,606 -0.002,607 0.002,608 0.061,609 -0.058,610 -0.004,611 0.042,612 -0.032,613 -0.055,614 -0.091,615 -0.077,616 -0.093,617 -0.042,618 -0.106,619 -0.025,620 0.128,621 0.086,622 0.144,623 -0.1,624 0.119,625 0.063,626 0.059,627 0.215,628 0.168,629 0.009,630 0.185,631 -0.066,632 -0.26,633 -0.216,634 -0.262,635 -0.01,636 -0.217,637 0.01,638 -0.082,639 -0.17,640 -0.187,641 -0.013,642 -0.207,643 1.212,644 3.461,645 0.826,646 18.794,647 0.988,648 1.117,649 2.772,650 7.687,651 0.683,652 3.296,653 3.611,654 3.932,655 4.19,656 4.263,657 4.407,658 4.564,659 4.718,660 4.762,661 4.787,662 5.77,663 0.627,664 326.5,665 3.296,666 4.828,667 5.694,668 6.569,669 7.447,670 8.328,671 9.21,672 10.094,673 10.979,674 11.865,675 4.4,678 1,683 1,687 2,688 7,690 1,692 1,693 3,695 15,714 45,716 15,717 1,718 26,720 48,721 19,722 12,723 3,724 3,730 4,731 5,736 1,740 3,743 4,745 12,746 7,761 1,764 22,765 2,766 2,767 4,768 1,773 2,777 0.75,778 1,779 1,788 1,789 1,792 3,793 1,796 1,815 1,817 1,819 3,821 1,827 23,832 1,833 6,837 1,838 1,842 1,847 2.2,848 1,854 10.833,855 7.733,856 5.111,857 2.839,858 2.796,859 1.384,860 1,861 4.404,862 10.08,863 3.541,864 4.135,865 4.771,866 5.379,867 5.787,868 6.24,869 6.723,870 7.173,871 7.379,872 7.612,873 1,874 32,875 8.537,877 3.653,878 7.457,879 17.074,881 14.765,883 1.957,884 45,885 0.001,887 1,888 235.422,889 119.617,890 19.91,892 42.683,894 31.278,895 88.339,896 278.105,897 19.91,899 11.815,900 106.761,902 28.854,903 27.045,904 243.158,906 235.422,907 108.249,908 42.683,909 31.278,911 164.795,912 70.627,913 42.683,915 31.725,916 76.524,918 31.278,919 235.422,920 62.593,921 119.617,924 235.422,925 55.539,926 67.202,927 16.786,928 42.683,929 235.422,930 62.593,931 119.617,933 0.575,934 0.353,935 0.194,936 0.084,937 19,938 7,939 0.104,940 5,941 1,942 1.105,943 3.666,944 187.047,945 0.105,946 19,947 104.042,948 1,951 15.218,952 6.657,953 3.043,954 2.538,955 45.808,956 15.225,958 3.397,960 1.784,961 3.99,963 59.469,964 417.632,965 33.5,975 44.443,976 50.278,977 0.268,978 0.663,979 0.872,980 0.951,981 0.951,982 0.951,983 4.769,984 1.186,985 5.659,986 3.384,987 4.29,988 4.82,989 0.673,990 6.469,991 4.203,992 5.95,993 0.939,994 7.213,995 2.558,996 3.761,997 4.543,998 0.325,999 7.368,1000 3.647,1001 7.247,1002 0.705,1003 8.869,1004 2.168,1005 5.878,1006 7.035,1007 0.379,1008 10.464,1009 5.72,1010 8.589,1011 0.618,1012 10.587,1013 1.698,1014 6.275,1015 7.733,1016 0.268,1017 12.224,1018 6.082,1019 9.968,1020 0.358,1021 12.346,1022 1.372,1023 7.766,1024 9.607,1025 0.239,1026 14.794,1027 7.548,1028 11.375,1029 0.264,1030 14.13,1031 0.844,1032 8.561,1033 10.741,1034 0.188,1035 16.876,1036 8.31,1037 12.8,1038 -0.499,1039 15.933,1040 0.395,1041 9.816,1042 12.382,1043 0.156,1044 19.276,1045 9.545,1046 3.12,1047 -0.788,1048 17.749,1049 -1.246,1050 10.785,1051 13.718,1052 0.125,1053 21.489,1054 10.487,1055 2.86,1056 10.434,1057 19.574,1058 -1.964,1059 11.948,1060 15.269,1061 0.102,1062 23.831,1063 11.633,1064 2.746,1065 9.023,1066 21.405,1067 4.518,1068 12.993,1069 16.696,1070 0.082,1071 26.101,1072 12.658,1073 2.033,1074 8.877,1075 23.242,1076 3.732,1077 14.121,1078 18.214,1079 0.066,1080 28.425,1081 13.771,1082 1.778,1083 6.01,1084 25.083,1085 2.883,1086 15.202,1087 19.681,1088 0.054,1089 30.723,1090 14.836,1091 1.532,1092 4.655,1093 26.927,1094 2.783,1095 16.318,1096 21.188,1097 0.043,1098 33.045,1099 15.94,1100 1.275,1101 4.093,1102 28.775,1103 2.587,1104 17.416,1105 22.675,1106 0.035,1107 35.358,1108 17.024,1109 5722,1110 8630,1111 18.087,1112 30.728,1113 38.818,1114 39.217,1115 39.492,1116 38.743,1117 38.83,1118 50.045,1119 1.6,1120 111.018,1121 36.981,1122 5.52,1123 5.2,1124 6.165,1125 5.176,1126 5.12,1127 7.518,1128 1.2,1129 17.111,1130 5.071,1131 6.273,1132 1.493,1133 1.508,1134 1.519,1135 1.49,1136 1.493,1137 1.925,1138 0.062,1139 4.27,1140 1.422,1141 4.148,1142 4.178,1143 4.253,1144 4.093,1145 6.456,1146 4.082,1147 3.882,1148 3.943,1149 4.033,1150 3.848,1151 4.971,1152 3.78,1153 3.816,1154 3.829,1155 3.76,1156 3.717,1157 4.659,1158 3.715,1159 3.433,1160 3.489,1161 3.331,1162 3.342,1163 4.322,1164 3.324,1165 3.241,1166 3.307,1167 3.089,1168 3.04,1169 4.192,1170 3.039,1171 3.213,1172 3.289,1173 3.025,1174 2.993,1175 3.84,1176 2.987,1177 2.905,1178 2.972,1179 2.769,1180 2.782,1181 3.601,1182 2.771,1183 2.712,1184 2.822,1185 2.682,1186 2.464,1187 3.281,1188 2.44,1189 0.176,1190 0.123,1191 0.253,1192 0.158,1193 0.12,1194 4.569,1195 0.174,1196 3.2,1197 0.031,1198 6.566,1199 0.401,1200 4.104,1201 0.118,1202 3.12,1203 4.518,1204 0.8,1205 10.434,1206 3.071,1207 1.962,1208 1.945,1209 2.036,1210 2.024,1211 1.285,1212 2.031,1213 1.698,1214 1.641,1215 1.892,1216 1.897,1217 1.241,1218 1.899,1219 1.614,1220 1.554,1221 1.869,1222 1.789,1223 1.137,1224 1.819,1225 1.475,1226 1.43,1227 1.682,1228 1.691,1229 0.937,1230 1.693,1231 1.462,1232 1.401,1233 1.639,1234 1.577,1235 0.694,1236 1.603,1237 1.322,1238 1.325,1239 1.446,1240 1.436,1241 0.583,1242 1.468,1243 1.099,1244 1.029,1245 1.248,1246 1.259,1247 0.531,1248 1.308,1249 0.871,1250 0.807,1251 1.171,1252 1.132,1253 0.394,1254 1.177,1255 3.97,1257 5.283,1258 3.434,1259 6.781,1260 5.687,1261 8.365,1262 7.678,1263 9.997,1270 9.461,1271 5.81,1275 0.363,1276 2.432,1280 28.213,1281 66.315,1282 163.767,1283 215.524,1284 235.133,1285 235.133,1286 235.133,1287 28.486,1288 7.284,1289 39.26,1290 67.5,1291 21,1292 12.397,1293 4,1294 3.087,1295 31.893,1296 79,1297 75,1298 0.197,1299 174.603,1300 288.58,1301 417.791,1302 14211,1304 15.648,1305 0.68,1306 0.608,1307 16.002,1308 13.981,1309 11.348,1310 0.436,1311 0.355,1312 8.345,1313 10.608,1314 8.097,1315 6.648,1316 11.802,1317 9.217,1318 9.816,1319 0.273,1320 0.202,1321 10.399,1322 7.264,1323 8.918,1324 0.178,1325 0.117,1326 9.599,1327 5.87,1328 7.555,1329 0.116,1330 0.067,1331 8.199,1332 4.366,1333 5.144,1334 0.073,1335 0.035,1336 5.476,1337 2.462,1338 0.307,1339 74.363,1340 0.235,1341 22.589,1342 0.544,1343 124,1344 274.988,1345 151.857,1346 292.554,1347 410.15,1348 278,1349 148,1350 288.352,1351 172.587,1352 309.884,1353 456.48,1354 294,1355 8.086} {0 CHEMBL174355,1 1.374,2 8.5,3 4.136,4 17.103,5 89.253,6 7.111,7 0.682,8 3.76,9 3.888,10 3.363,11 3.398,12 4.732,13 3.309,14 4.294,15 4.494,16 3.741,17 3.811,18 5.153,19 3.692,20 4.44,21 4.631,22 3.616,23 3.9,24 5.275,25 3.729,26 4.59,27 4.855,28 3.519,29 3.867,30 5.317,31 3.673,32 4.456,33 4.728,34 3.459,35 3.735,36 5.18,37 3.556,38 4.289,39 4.505,40 3.494,41 3.679,42 5.128,43 3.517,44 4.376,45 4.637,46 3.185,47 3.604,48 5.123,49 3.392,50 4.197,51 4.484,52 2.891,53 3.354,54 4.865,55 3.117,56 0.048,57 0.568,58 9.591,59 4,60 7.865,61 5.416,62 0.126,63 0.952,64 18.178,65 6.839,66 11.922,67 9.144,68 0.108,69 1.074,70 23.204,71 9.135,72 14.676,73 11.626,74 0.135,75 1.17,76 25.249,77 9.958,78 18.37,79 13.377,80 0.145,81 1.027,82 21.759,83 8.572,84 15.742,85 11.596,86 0.102,87 0.911,88 17.842,89 6.939,90 14.539,91 9.548,92 0.143,93 0.976,94 22.019,95 7.838,96 16.945,97 10.259,98 0.105,99 0.776,100 17.946,101 6.652,102 12.828,103 9.017,104 13,105 31,106 0.244,107 0.602,108 0.777,109 0.829,110 0.829,111 0.829,112 3.058,113 1.059,114 -4.37,115 -4.3,116 -4.06,119 42.5,120 1,121 1,124 2,125 1,140 5,141 3,149 1,150 3,169 7,172 1,176 3,178 12,182 1,186 3,189 11,193 1,197 1,199 10,203 1,206 1,211 7,215 2,220 2,222 5,226 1,231 1,233 2,237 2,242 1,244 1,249 1,259 486,260 13.378,261 13.378,262 13.378,263 13.378,264 13.378,265 11.665,266 9.167,267 7.853,268 13.752,269 10.869,270 10.869,271 10.869,272 10.869,273 10.869,274 8.258,275 7.767,276 3.764,277 11.474,278 3.948,279 1.931,280 0.947,281 0.657,282 0.657,283 0.657,284 3.735,288 1,289 1,290 362,291 2.828,294 92.585,295 47.647,298 75.804,302 1.35,303 5.616,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41,315 170,316 4.571,317 3.183,318 6.567,319 4.105,320 3.123,321 4.519,322 0.8,323 10.437,324 3.071,325 4.205,326 2.882,327 6.129,328 3.752,329 2.818,330 3.852,332 9.026,333 2.632,334 3.605,335 2.579,336 5.155,337 3.214,338 2.273,339 3.021,341 6.206,342 2.132,343 3.385,344 2.352,345 5.04,346 3.105,347 2.172,348 2.692,350 5.938,351 2.014,352 3.146,353 2.07,354 4.624,355 2.862,356 1.898,357 2.182,359 5.024,360 1.818,361 2.825,362 1.426,363 4.25,364 2.327,365 1.373,366 1.964,368 3.819,369 1.302,370 2.624,371 1.252,372 4.024,373 2.163,374 1.182,375 1.677,377 3.169,378 1.152,379 2.222,380 0.882,381 3.286,382 1.767,383 0.81,384 1.105,386 1.865,387 0.772,388 2.128,389 0.69,390 3.26,391 1.575,392 0.674,393 0.969,395 1.643,396 0.591,397 1.571,398 0.423,399 2.88,400 1.321,401 0.357,402 0.429,404 0.838,405 0.343,406 0.862,407 -0.294,408 2.542,409 0.46,410 -0.489,411 -0.612,413 -1.253,414 -0.46,415 0.625,416 -0.45,417 2.162,418 0.174,419 -0.783,420 -0.921,422 -1.886,423 -0.739,424 0.445,425 -0.6,426 2,427 0.144,428 -0.841,429 -1,431 -2,432 -0.833,433 0.169,434 -0.765,435 1.858,436 -0.1,437 -1,438 -1.155,440 -2.593,441 -0.9,442 0.011,443 -0.961,444 1.602,445 -0.12,446 -1.085,447 -1.391,449 -3.066,450 -1.046,451 10.133,452 0.507,453 0.541,454 0.027,455 24.25,456 1.213,457 12,458 0.6,459 12.25,460 0.613,461 16.604,462 0.83,463 21.067,464 0.527,465 14.394,466 0.72,467 4.676,468 0.234,469 4.955,470 0.248,471 0.148,473 0.336,479 1.062,480 1.18,481 0.817,482 0.923,483 1.102,484 0.946,485 1.526,486 0.74,487 0.829,488 0.67,489 0.813,490 0.724,491 1.023,492 1.226,493 1.391,494 1.343,495 1.048,496 1.235,497 0.851,498 0.941,499 0.894,500 0.929,501 0.997,502 0.959,503 0.726,504 0.811,505 0.75,506 0.788,507 0.76,508 0.829,509 0.904,510 1.227,511 0.892,512 1.063,513 1.046,514 1.119,515 1.495,516 1.108,517 1.285,518 1.167,519 1.373,520 1.131,521 0.774,522 1.087,523 0.996,524 1.094,525 0.929,526 1.076,527 4.5,528 0.073,529 2.444,530 1.076,531 0.863,532 0.66,533 0.409,534 0.228,535 0.177,536 0.06,537 3710,538 7771,539 2.077,540 50,542 13,543 1,545 1,546 3,547 2,550 1.618,551 1.935,552 3.093,553 -0.37,555 1,559 54.952,560 1.374,561 3.391,562 4.375,563 4.665,564 4.665,565 4.665,566 2.528,567 4.122,568 4.289,569 3.214,570 610.7,571 7.334,572 6182.49,574 1,575 1,576 1,577 212.877,578 1.441,579 4.248,580 0.205,581 0.015,582 0.079,583 0.04,584 0.036,585 0.029,586 0.019,587 0.014,588 0.016,589 0.009,590 0.46,591 0.67,592 1,593 1.275,594 88.241,595 0.045,596 -0.074,597 0.083,598 0.034,599 -0.073,600 0.03,601 -0.165,602 0.357,603 0.161,604 0.302,605 0.112,606 0.236,607 -0.155,608 -0.189,609 -0.263,610 -0.25,611 -0.127,612 -0.228,613 -0.006,614 0.002,615 0.014,616 0.016,617 -0.025,618 0.018,619 0.183,620 0.134,621 0.132,622 0.135,623 0.164,624 0.141,625 0.071,626 -0.229,627 0.004,628 -0.127,629 -0.038,630 -0.151,631 -0.235,632 -0.094,633 -0.229,634 -0.174,635 -0.256,636 -0.175,637 0.067,638 -0.171,639 -0.05,640 -0.137,642 -0.101,643 0.434,644 0.881,645 0.7,646 15.13,647 0.981,648 1.116,649 3.138,650 9.849,651 0.688,652 3.135,653 3.466,654 3.714,655 3.989,656 4.159,657 4.277,658 4.407,659 4.543,660 4.511,661 4.431,662 5.097,663 0.624,664 284.46,665 3.135,666 4.673,667 5.517,668 6.399,669 7.269,670 8.156,671 9.038,672 9.928,673 10.816,674 11.709,675 5,678 1,683 1,687 2,688 6,690 1,692 1,693 4,695 15,714 40,716 15,717 1,718 22,720 42,721 17,722 12,723 3,724 3,730 3,731 4,736 1,743 1,745 12,746 5,761 1,764 20,765 1,766 1,767 3,768 1,773 2,777 0.667,788 1,792 2,793 1,796 1,815 1,819 2,821 1,823 3,827 20,833 2,838 1,842 1,854 10.333,855 8.117,856 4.333,857 2.347,858 2.868,859 1.425,860 1.01,861 3.835,862 9.617,863 3.418,864 4.069,865 4.705,866 5.351,867 5.812,868 6.246,869 6.728,870 7.196,871 7.417,872 7.635,873 0.833,874 27,875 7.384,877 3.033,878 7.367,879 14.723,881 12.14,883 1.867,884 37.333,885 0.002,887 1,888 223.651,889 131.77,890 19.91,894 31.278,895 100.492,896 223.651,897 19.91,898 25.618,899 4.64,900 56.429,902 28.854,903 16.632,904 243.158,906 223.651,907 120.402,909 31.278,911 200.109,912 23.542,915 33.375,916 87.026,918 31.278,919 223.651,920 19.91,921 131.77,924 223.651,925 49.723,926 85.171,927 16.786,929 223.651,930 19.91,931 131.77,933 0.585,934 0.322,935 0.172,936 0.095,937 16,938 7,939 0.095,940 4,941 1,942 1.143,943 3.267,944 150.446,945 0.143,946 14,947 84.439,948 1,951 13.686,952 5.605,953 2.929,954 2.589,955 3.124,956 13.278,958 3.381,960 1.858,961 5.441,963 16.786,964 375.33,965 29.5,975 39.232,976 44.653,977 0.258,978 0.637,979 0.822,980 0.877,981 0.877,982 0.877,983 4.642,984 0.81,985 5.509,986 3.169,987 4.143,988 4.754,989 0.673,990 6.312,991 4.048,992 5.865,993 0.674,994 7.062,995 1.865,996 3.761,997 4.62,998 0.325,999 7.195,1000 3.616,1001 7.179,1002 0.357,1003 8.712,1004 1.643,1005 5.727,1006 7.033,1007 0.379,1008 10.277,1009 5.558,1010 8.534,1011 -0.489,1012 10.419,1013 0.838,1014 6.155,1015 7.78,1016 0.268,1017 12.011,1018 5.943,1019 9.922,1020 -0.783,1021 12.164,1022 -1.253,1023 7.601,1024 9.64,1025 0.239,1026 14.602,1027 7.379,1028 11.336,1029 -0.841,1030 13.937,1031 -1.886,1032 8.398,1033 10.792,1034 0.188,1035 16.683,1036 8.145,1037 12.769,1038 -1,1039 15.73,1040 -2,1041 9.642,1042 12.429,1043 0.156,1044 19.105,1045 9.379,1046 3.123,1047 -1.085,1048 17.539,1049 -2.593,1050 10.612,1051 13.769,1052 0.125,1053 21.33,1054 10.328,1055 2.818,1056 10.437,1057 19.359,1058 -3.066,1059 11.776,1060 15.318,1061 0.102,1062 23.691,1063 11.481,1064 2.273,1065 9.026,1066 21.19,1067 4.519,1068 12.827,1069 16.744,1070 0.082,1071 25.976,1072 12.517,1073 2.172,1074 6.206,1075 23.027,1076 3.852,1077 13.962,1078 18.259,1079 0.066,1080 28.316,1081 13.641,1082 1.898,1083 5.938,1084 24.871,1085 3.021,1086 15.051,1087 19.724,1088 0.054,1089 30.628,1090 14.717,1091 1.373,1092 5.024,1093 26.72,1094 2.692,1095 16.176,1096 21.227,1097 0.043,1098 32.962,1099 15.831,1100 1.182,1101 3.819,1102 28.573,1103 2.182,1104 17.284,1105 22.711,1106 0.035,1107 35.287,1108 16.927,1109 3673,1110 5418,1111 14.622,1112 27.512,1113 33.746,1114 33.151,1115 34.068,1116 33.383,1117 33.359,1118 44.821,1119 1.6,1120 95.932,1121 31.656,1122 5.403,1123 5.183,1124 5.948,1125 5.19,1126 5.123,1127 7.519,1128 1.2,1129 17.109,1130 5.071,1131 9.748,1132 1.534,1133 1.507,1134 1.549,1135 1.517,1136 1.516,1137 2.037,1138 0.073,1139 4.361,1140 1.439,1141 4.147,1142 4.176,1143 4.269,1144 4.097,1145 4.971,1146 4.084,1147 3.854,1148 3.867,1149 4.037,1150 3.875,1151 4.65,1152 3.811,1153 3.648,1154 3.734,1155 3.507,1156 3.46,1157 4.324,1158 3.457,1159 3.377,1160 3.437,1161 3.276,1162 3.237,1163 4.197,1164 3.236,1165 3.139,1166 3.233,1167 2.956,1168 2.958,1169 3.812,1170 2.945,1171 2.998,1172 3.098,1173 2.758,1174 2.804,1175 3.687,1176 2.779,1177 2.874,1178 3.009,1179 2.682,1180 2.716,1181 3.504,1182 2.694,1183 2.849,1184 2.92,1185 2.665,1186 2.618,1187 3.467,1188 2.57,1189 0.208,1190 0.145,1191 0.298,1192 0.187,1193 0.142,1194 4.571,1195 0.205,1196 3.183,1197 0.036,1198 6.567,1199 0.474,1200 4.105,1201 0.14,1202 3.123,1203 4.519,1204 0.8,1205 10.437,1206 3.071,1207 1.962,1208 1.945,1209 2.037,1210 2.024,1211 1.265,1212 2.032,1213 1.69,1214 1.627,1215 1.903,1216 1.901,1217 1.099,1218 1.908,1219 1.566,1220 1.531,1221 1.756,1222 1.697,1223 0.883,1224 1.72,1225 1.453,1226 1.387,1227 1.692,1228 1.673,1229 0.789,1230 1.696,1231 1.383,1232 1.353,1233 1.499,1234 1.469,1235 0.655,1236 1.511,1237 1.061,1238 0.97,1239 1.417,1240 1.295,1241 0.496,1242 1.338,1243 0.934,1244 0.804,1245 1.385,1246 1.239,1247 0.469,1248 1.308,1249 0.869,1250 0.801,1251 1.123,1252 1.047,1253 0.267,1254 1.084,1255 3.807,1257 5.13,1258 3.045,1259 6.624,1260 5.352,1261 8.202,1262 7.391,1263 9.833,1265 6.398,1271 2.162,1276 2.227,1280 24.971,1281 54.952,1282 135.652,1283 175.003,1284 186.612,1285 186.612,1286 186.612,1287 21.346,1288 6.749,1289 19.03,1290 47.27,1291 16,1292 12.237,1293 4,1294 3.087,1295 29.942,1296 60,1297 59,1298 0.251,1299 158.815,1300 257.55,1301 379.269,1302 6614,1304 14.113,1305 0.706,1306 0.653,1307 14.466,1308 13.05,1309 9.631,1310 0.438,1311 0.353,1312 6.962,1313 8.939,1314 6.556,1315 5.519,1316 10.039,1317 7.765,1318 8.984,1319 0.29,1320 0.22,1321 9.712,1322 6.826,1323 7.119,1324 0.178,1325 0.117,1326 7.843,1327 4.67,1328 5.893,1329 0.111,1330 0.063,1331 6.591,1332 3.336,1333 4.584,1334 0.073,1335 0.035,1336 5.086,1337 2.222,1338 0.384,1339 63.104,1340 0.262,1341 19.81,1342 0.71,1343 106,1344 226.838,1345 134.759,1346 252.025,1347 355.76,1348 238,1349 124,1350 252.123,1351 147.873,1352 280.708,1353 406.77,1354 262,1355 8.495} {0 CHEMBL1744039,1 1.299,2 8.043,3 4.902,4 24.026,5 97.629,6 6.127,7 0.4,8 3.982,9 4.124,10 3.386,11 3.529,12 4.9,13 3.46,14 4.586,15 4.801,16 3.734,17 3.963,18 5.372,19 3.861,20 4.882,21 5.129,22 3.833,23 4.151,24 5.633,25 4.014,26 5.034,27 5.31,28 3.846,29 4.221,30 5.758,31 4.065,32 5.043,33 5.304,34 3.778,35 4.245,36 5.753,37 4.062,38 5.143,39 5.445,40 3.666,41 4.204,42 5.839,43 3.989,44 5.046,45 5.37,46 3.435,47 4.042,48 5.725,49 3.807,50 4.743,51 5.052,52 3.26,53 3.802,54 5.451,55 3.59,56 0.058,57 0.719,58 12.483,59 5.128,60 9.367,61 7.42,62 0.15,63 1.207,64 22.647,65 8.619,66 15.054,67 12.804,68 0.196,69 1.539,70 30.115,71 11.341,72 22.749,73 16.973,74 0.319,75 1.692,76 34.923,77 12.883,78 30.62,79 19.26,80 0.197,81 1.698,82 34.779,83 14.124,84 25.854,85 20.49,86 0.297,87 1.753,88 38.262,89 14.633,90 37.219,91 21.513,92 0.329,93 1.519,94 34.477,95 12.904,96 38.707,97 19.123,98 0.187,99 1.153,100 25.444,101 9.754,102 24.897,103 14.355,104 31,105 35,106 0.221,107 0.542,108 0.776,109 0.85,110 0.85,111 0.85,112 3.19,113 1.074,114 -4.7,115 -4.62,116 -4.34,119 39.2,120 3,121 4,122 1,125 2,127 1,140 2,141 4,149 1,150 1,153 1,169 11,172 5,176 3,178 12,182 6,186 2,189 11,193 3,195 1,197 2,199 10,203 5,208 1,211 14,215 3,218 1,220 1,222 12,225 1,226 1,233 10,242 2,244 8,249 2,254 3,256 3,259 665,260 15.671,261 15.671,262 15.671,263 15.671,264 15.671,265 14.468,266 14.201,267 9.261,268 15.808,269 12.256,270 12.256,271 12.256,272 12.256,273 12.256,274 10.295,275 15.648,276 4.209,277 12.49,278 4.373,279 2.486,280 1.108,281 0.672,282 0.672,283 0.672,284 3.869,288 1,289 1,290 388,291 3.606,294 43.539,295 91.925,298 73.81,299 78.571,302 1.18,303 14.082,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 48,315 185,316 4.687,317 3.409,318 6.919,319 4.258,320 3.266,321 4.646,322 0.8,323 11.66,324 3.241,325 3.969,326 3.1,327 6.18,328 3.8,329 2.848,330 3.366,332 9.199,333 2.717,334 3.723,335 2.877,336 5.834,337 3.465,338 2.482,339 2.845,341 7.974,342 2.434,343 3.421,344 2.511,345 5.112,346 3.08,347 2.085,348 2.749,350 5.902,351 2.073,352 3.092,353 2.121,354 4.756,355 2.952,356 1.964,357 2.123,359 5.285,360 1.935,361 2.953,362 1.941,363 4.626,364 2.615,365 1.614,366 2.068,368 4.585,369 1.614,370 2.562,371 1.621,372 4.155,373 2.493,374 1.516,375 1.564,377 3.734,378 1.479,379 2.394,380 1.587,381 3.7,382 1.924,383 0.935,384 1.27,386 2.165,387 0.921,388 2.067,389 0.977,390 3.314,391 1.811,392 0.848,393 0.972,395 1.92,396 0.812,397 2,398 0.914,399 3.009,400 1.752,401 0.751,402 0.825,404 1.446,405 0.749,406 1.809,407 0.746,408 2.734,409 1.397,410 0.318,411 0.509,413 0.497,414 0.34,415 0.907,416 -0.122,417 2.556,418 0.664,419 -0.315,420 -0.337,422 -0.64,423 -0.306,424 0.77,425 -0.212,426 2.47,427 0.589,428 -0.381,429 -0.41,431 -0.857,432 -0.369,433 0.64,434 -0.377,435 2.166,436 0.402,437 -0.605,438 -0.75,440 -1.489,441 -0.608,442 0.293,443 -0.865,444 2.1,445 0.05,446 -0.942,447 -1,449 -2,450 -0.93,451 11.133,452 0.484,453 0.537,454 0.023,455 23.5,456 1.022,457 9.5,458 0.413,459 14,460 0.609,461 25.049,462 1.089,463 26.067,464 0.511,465 14.333,466 0.623,467 4.01,468 0.174,469 7.125,470 0.31,471 0.165,473 0.35,479 0.753,480 1.368,481 0.994,482 1.194,483 0.552,484 1.122,485 0.93,486 1.112,487 0.976,488 0.995,489 0.58,490 0.982,491 0.798,492 1.145,493 1.003,494 1.067,495 0.446,496 1.046,497 0.893,498 0.895,499 0.958,500 0.904,501 0.63,502 0.923,503 0.655,504 1.188,505 1.052,506 1.209,507 0.658,508 1.172,509 0.798,510 0.997,511 0.961,512 1.027,513 0.862,514 1.013,515 0.838,516 0.809,517 0.891,518 0.856,519 0.962,520 0.876,521 0.817,522 0.884,523 0.897,524 0.921,525 0.904,526 0.917,527 4.5,529 2.667,530 1.535,531 1.463,532 0.833,533 0.538,534 0.373,535 0.259,536 0.181,537 4850,538 9159,539 2.041,540 54.9,541 11,542 7,543 1,544 1,545 1,547 7,550 1.664,551 1.89,552 3.023,553 -0.412,559 66.249,560 1.299,561 3.186,562 4.564,563 5.001,564 5.001,565 5.001,566 2.442,567 4.263,568 4.495,569 3.165,570 800.63,571 7.776,572 8934.2,574 1,577 289.294,578 1.478,579 4.443,580 0.18,582 0.076,583 0.041,584 0.04,585 0.025,586 0.019,587 0.017,588 0.014,589 0.013,590 0.425,591 0.5,592 1,593 1.522,594 105.437,595 0.015,596 -0.097,597 0.055,598 -0.01,599 0.024,600 0.019,601 -0.051,602 0.041,603 0.048,604 0.074,605 0.007,606 0.07,607 -0.014,608 -0.061,609 -0.008,610 -0.04,611 0.049,612 -0.025,613 0.025,614 0.131,615 0.03,616 0.078,617 0.064,618 0.061,619 0.016,620 -0.187,621 -0.093,622 -0.172,623 0.02,624 -0.146,625 0.046,626 -0.068,627 -0.008,628 -0.064,629 0.003,630 -0.045,631 0.057,632 0.078,633 0.055,634 0.074,635 -0.024,636 0.066,637 0.007,638 0.028,639 0.05,640 0.036,641 -0.02,642 0.046,643 1.013,644 4.4,645 0.565,646 17.032,647 0.981,648 1.129,649 3.474,650 12.072,651 0.635,652 3.258,653 3.584,654 3.892,655 4.22,656 4.466,657 4.585,658 4.736,659 4.905,660 4.949,661 4.86,662 5.127,663 0.581,664 312.5,665 3.258,666 4.796,667 5.659,668 6.558,669 7.451,670 8.359,671 9.262,672 10.174,673 11.083,674 11.997,675 3.9,678 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 51,716 11,717 1,718 25,720 53,721 20,722 8,723 4,724 2,725 1,730 3,731 6,736 3,740 4,743 5,745 9,746 11,747 1,750 1,755 1,757 1,764 28,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,827 23,833 6,837 2,838 1,847 2,850 1,854 12.167,855 9.867,856 5.222,857 3.579,858 2.231,859 1.311,860 0.96,861 4.985,862 9.403,863 3.466,864 4.03,865 4.662,866 5.305,867 5.827,868 6.212,869 6.588,870 6.993,871 7.096,872 7.219,873 1,874 37,875 8.557,877 3.565,878 7.478,879 17.171,881 14.584,883 1.978,884 45.5,885 0.001,887 1,888 317.82,889 94.523,890 19.91,892 25.145,895 94.523,896 342.965,897 19.91,898 26.476,899 14.35,900 28,901 48.34,902 32.04,903 13.915,904 294.278,906 317.82,907 114.433,908 25.145,911 235.422,912 107.543,915 60.735,916 42.274,917 11.424,919 317.82,920 45.055,921 94.523,924 317.82,925 28.623,926 69.024,927 16.786,928 25.145,929 317.82,930 45.055,931 94.523,933 0.57,934 0.338,935 0.202,936 0.116,937 17,938 8,939 0.113,940 6,941 2,942 1.308,943 3.383,944 188.376,945 0.308,946 13,947 102.042,951 16.417,952 6.983,953 3.266,954 2.251,955 28.269,956 6.213,958 3.246,961 3.632,963 16.786,964 457.398,965 31,970 11.4,972 0.987,975 50.018,976 57.604,977 0.229,978 0.562,979 0.805,980 0.882,981 0.882,982 0.882,983 4.714,984 0.935,985 5.652,986 3.734,987 4.263,988 4.714,989 0.673,990 6.506,991 4.227,992 5.902,993 0.848,994 7.233,995 2.165,996 3.892,997 4.605,998 0.325,999 7.509,1000 3.832,1001 7.21,1002 0.751,1003 8.917,1004 1.92,1005 5.883,1006 6.943,1007 0.379,1008 10.642,1009 5.808,1010 8.56,1011 0.318,1012 10.663,1013 1.446,1014 6.347,1015 7.757,1016 0.268,1017 12.499,1018 6.253,1019 9.951,1020 -0.315,1021 12.449,1022 0.497,1023 7.815,1024 9.584,1025 0.239,1026 15.16,1027 7.707,1028 11.371,1029 -0.381,1030 14.264,1031 -0.64,1032 8.663,1033 10.812,1034 0.188,1035 17.366,1036 8.541,1037 12.816,1038 -0.605,1039 16.099,1040 -0.857,1041 9.931,1042 12.453,1043 0.156,1044 19.876,1045 9.799,1046 3.266,1047 -0.942,1048 17.951,1049 -1.489,1050 10.955,1051 13.862,1052 0.125,1053 22.224,1054 10.815,1055 2.848,1056 11.66,1057 19.815,1058 -2,1059 12.15,1060 15.435,1061 0.102,1062 24.687,1063 12.003,1064 2.482,1065 9.199,1066 21.69,1067 4.646,1068 13.253,1069 16.918,1070 0.082,1071 27.095,1072 13.101,1073 2.085,1074 7.974,1075 23.573,1076 3.366,1077 14.425,1078 18.467,1079 0.066,1080 29.546,1081 14.268,1082 1.964,1083 5.902,1084 25.463,1085 2.845,1086 15.565,1087 19.981,1088 0.054,1089 31.979,1090 15.403,1091 1.614,1092 5.285,1093 27.359,1094 2.749,1095 16.732,1096 21.521,1097 0.043,1098 34.429,1099 16.567,1100 1.516,1101 4.585,1102 29.259,1103 2.123,1104 17.888,1105 23.048,1106 0.035,1107 36.873,1108 17.72,1109 4886,1110 6870,1111 16.414,1112 32.364,1113 38.076,1114 39.244,1115 39.208,1116 37.357,1117 37.255,1118 45.871,1119 1.6,1120 108.734,1121 36.628,1122 5.632,1123 5.409,1124 6.682,1125 5.276,1126 5.266,1127 7.646,1128 1.2,1129 18.941,1130 5.241,1131 12.155,1132 1.523,1133 1.57,1134 1.568,1135 1.494,1136 1.49,1137 1.835,1138 0.064,1139 4.349,1140 1.465,1141 4.165,1142 4.195,1143 4.125,1144 4.093,1145 7.452,1146 4.097,1147 3.836,1148 3.901,1149 3.724,1150 3.684,1151 4.934,1152 3.684,1153 3.65,1154 3.711,1155 3.517,1156 3.527,1157 4.395,1158 3.516,1159 3.548,1160 3.627,1161 3.354,1162 3.402,1163 4.262,1164 3.379,1165 3.354,1166 3.399,1167 3.234,1168 3.229,1169 4.106,1170 3.221,1171 3.138,1172 3.205,1173 3.007,1174 2.914,1175 3.953,1176 2.913,1177 3.034,1178 3.12,1179 2.845,1180 2.853,1181 3.659,1182 2.848,1183 2.977,1184 3.058,1185 2.774,1186 2.716,1187 3.539,1188 2.724,1189 0.187,1190 0.136,1191 0.277,1192 0.17,1193 0.131,1194 4.687,1195 0.186,1196 3.409,1197 0.032,1198 6.919,1199 0.466,1200 4.258,1201 0.13,1202 3.266,1203 4.646,1204 0.8,1205 11.66,1206 3.241,1207 2.032,1208 2.009,1209 2.14,1210 2.117,1211 1.48,1212 2.126,1213 1.769,1214 1.707,1215 1.992,1216 1.943,1217 1.265,1218 1.961,1219 1.601,1220 1.532,1221 1.892,1222 1.789,1223 1.129,1224 1.826,1225 1.556,1226 1.515,1227 1.756,1228 1.764,1229 1.001,1230 1.76,1231 1.525,1232 1.464,1233 1.678,1234 1.679,1235 0.788,1236 1.692,1237 1.185,1238 1.108,1239 1.488,1240 1.413,1241 0.678,1242 1.443,1243 0.999,1244 0.912,1245 1.417,1246 1.249,1247 0.56,1248 1.308,1249 0.949,1250 0.871,1251 1.369,1252 1.239,1253 0.469,1254 1.295,1255 3.932,1257 5.252,1258 2.398,1259 6.779,1260 4.727,1261 8.411,1262 6.843,1263 10.104,1265 6.863,1271 6.95,1275 1.293,1276 2.666,1280 29.606,1281 66.249,1282 162.497,1283 232.764,1284 255.029,1285 255.029,1286 255.029,1287 36.42,1288 7.172,1289 36.1,1290 36.1,1291 17,1292 12.511,1293 3.585,1294 2.807,1295 36.566,1296 71,1297 66,1298 0.264,1299 183.385,1300 313.27,1301 439.219,1302 10926,1304 16.397,1305 0.713,1306 0.633,1307 16.397,1308 14.562,1309 11.135,1310 0.445,1311 0.358,1312 8.883,1313 10.888,1314 8.543,1315 7.186,1316 11.135,1317 8.947,1318 9.836,1319 0.281,1320 0.208,1321 9.836,1322 7.273,1323 8.113,1324 0.169,1325 0.105,1326 8.113,1327 5.022,1328 7.221,1329 0.108,1330 0.061,1331 7.221,1332 4.08,1333 5.986,1334 0.07,1335 0.036,1336 5.986,1337 3.09,1338 0.397,1339 68.544,1340 0.247,1341 21.997,1342 0.772,1343 120,1344 255.714,1345 125.575,1346 252.508,1347 351.46,1348 238,1349 143,1350 259.164,1351 149.325,1352 267.511,1353 393.67,1354 252,1355 8.187} {0 CHEMBL1744040,1 1.402,2 6.389,3 2.837,4 8.05,5 74.613,6 6.732,7 0.5,8 3.669,9 3.801,10 3.165,11 3.23,12 4.676,13 3.186,14 4.246,15 4.446,16 3.526,17 3.672,18 5.119,19 3.603,20 4.491,21 4.697,22 3.607,23 3.867,24 5.35,25 3.756,26 4.677,27 4.931,28 3.53,29 3.892,30 5.512,31 3.736,32 4.638,33 4.93,34 3.309,35 3.723,36 5.403,37 3.54,38 4.374,39 4.656,40 3.119,41 3.419,42 5.262,43 3.269,44 4.076,45 4.333,46 2.748,47 3.135,48 5.075,49 2.975,50 3.868,51 4.168,52 1.909,53 2.729,54 4.804,55 2.458,56 0.032,57 0.524,58 8.223,59 3.408,60 7.313,61 4.804,62 0.128,63 0.88,64 15.439,65 5.741,66 12.361,67 8.324,68 0.106,69 1.086,70 19.587,71 7.982,72 14.958,73 11.405,74 0.207,75 1.202,76 24.384,77 9.521,78 25.797,79 13.762,80 0.161,81 1.09,82 23.851,83 8.979,84 25.569,85 13.178,86 0.201,87 0.84,88 18.627,89 6.3,90 27.69,91 9.238,92 0.217,93 0.621,94 13.851,95 4.457,96 25.9,97 6.509,98 0.128,99 0.464,100 11.313,101 3.654,102 24.059,103 5.421,104 14,105 29,106 0.257,107 0.621,108 0.797,109 0.827,110 0.827,111 0.827,112 2.963,113 0.966,114 -3.51,115 -3.49,116 -3.33,119 41.7,121 3,124 2,127 1,140 2,141 4,149 1,150 1,153 1,169 8,172 3,176 3,178 11,182 3,186 2,189 11,193 3,195 1,197 2,199 5,203 5,208 1,211 1,215 3,218 1,220 1,225 1,226 1,259 334,260 12.232,261 12.232,262 12.232,263 12.232,264 12.232,265 11.029,266 11.039,267 6.976,268 12.377,269 9.787,270 9.787,271 9.787,272 9.787,273 9.787,274 7.826,275 12.112,276 3.181,277 10,278 3.768,279 1.781,280 0.82,281 0.653,282 0.653,283 0.653,284 3.638,287 1,288 1,289 1,290 245,291 2.646,294 28.521,295 62.199,298 48.695,299 53.182,302 0.944,303 11.38,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38,315 115,316 4.687,317 3.402,318 6.918,319 4.256,320 3.264,321 4.646,322 0.8,323 11.656,324 3.24,325 3.943,326 3.021,327 6.022,328 3.715,329 2.751,330 3.364,332 8.577,333 2.659,334 3.597,335 2.807,336 5.738,337 3.373,338 2.4,339 2.819,341 7.569,342 2.328,343 3.408,344 2.488,345 5.111,346 2.959,347 1.972,348 2.617,350 5.891,351 1.942,352 2.955,353 1.952,354 4.637,355 2.611,356 1.609,357 2.093,359 4.592,360 1.61,361 2.439,362 1.603,363 3.836,364 2.22,365 1.267,366 1.385,368 2.975,369 1.204,370 2.274,371 1.428,372 3.68,373 1.83,374 0.858,375 1.187,377 2.165,378 0.824,379 2.065,380 0.915,381 3.291,382 1.791,383 0.791,384 0.915,386 1.821,387 0.791,388 1.914,389 0.764,390 2.729,391 1.397,392 0.318,393 0.511,395 0.495,396 0.34,397 0.887,398 -0.181,399 2.534,400 0.614,401 -0.371,402 -0.434,404 -0.96,405 -0.365,406 0.77,407 -0.378,408 2.324,409 0.4,410 -0.607,411 -0.754,413 -1.501,414 -0.61,415 0.252,416 -0.6,417 2.164,418 -0.001,419 -1,420 -1,422 -2,423 -0.9,424 0.114,425 -0.877,426 2,427 -0.1,428 -1,429 -1.31,431 -3.067,432 -0.996,434 -1.023,435 1.812,436 -0.236,437 -1.224,438 -1.535,440 -3.383,441 -1.198,442 -0.169,443 -1.326,444 1.352,445 -0.495,446 -1.478,447 -1.799,449 -4.244,450 -1.444,451 8.633,452 0.48,453 0.469,454 0.026,455 21,456 1.167,457 9.5,458 0.528,459 11.5,460 0.639,461 14.637,462 0.813,463 19.567,464 0.544,465 13.071,466 0.726,467 4.097,468 0.228,469 4.606,470 0.256,471 0.154,473 0.394,479 0.729,480 1.325,481 0.869,482 1.097,483 0.5,484 1.008,485 0.991,486 0.889,487 0.904,488 0.791,489 0.587,490 0.816,491 0.663,492 1.152,493 1.028,494 1.152,495 0.452,496 1.128,497 0.642,498 1.058,499 0.993,500 1.107,501 0.655,502 1.092,503 0.649,504 1.012,505 0.862,506 1.015,507 0.683,508 0.972,509 1.19,510 0.979,511 0.964,512 0.961,513 1.295,514 0.945,515 1.626,516 1.025,517 1.31,518 1.076,519 1.817,520 1.149,521 1.502,522 1.087,523 1.411,524 1.253,525 1.566,526 1.308,527 3.5,529 2.444,530 1.285,531 1.143,532 0.611,533 0.397,534 0.227,537 2439,538 5460,539 2.086,540 50,541 2,542 9,543 1,544 1,545 1,547 4,550 1.594,551 1.929,552 2.733,553 -0.334,555 1,557 1,559 50.455,560 1.402,561 3.389,562 4.35,563 4.517,564 4.517,565 4.517,566 2.135,567 3.837,568 4.143,569 2.797,570 427.984,571 7.068,572 3915.5,573 1,574 1,576 1,577 186.117,578 1.481,579 4.09,580 0.175,582 0.084,583 0.043,584 0.044,585 0.031,586 0.025,587 0.023,590 0.424,591 1,592 1,593 1.015,594 73.826,595 -0.009,596 -0.123,597 0.06,598 -0.014,599 0.028,600 0.022,601 -0.136,602 0.247,603 0.055,604 0.22,605 -0.019,606 0.172,607 -0.041,608 -0.086,609 -0.103,610 -0.114,611 0.028,612 -0.113,613 0.083,614 -0.091,615 -0.05,616 -0.108,617 0.043,618 -0.096,619 0.075,620 -0.118,621 0.092,622 -0.045,623 0.045,624 0.014,625 0.016,626 -0.052,627 0.039,628 -0.035,629 -0.04,630 -0.004,631 -0.103,632 -0.058,633 -0.288,634 -0.162,635 -0.166,636 -0.234,637 -0.208,638 -0.203,639 -0.407,640 -0.363,641 -0.14,642 -0.395,643 1.043,644 4.152,645 0.722,646 9.556,647 0.989,648 1.126,649 2.284,650 5.219,651 0.654,652 3.045,653 3.401,654 3.738,655 4.043,656 4.304,657 4.431,658 4.533,659 4.595,660 4.585,661 4.419,662 4.055,663 0.61,664 242.35,665 3.045,666 4.595,667 5.476,668 6.382,669 7.287,670 8.199,671 9.111,672 10.026,673 10.941,674 11.857,675 5.6,678 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 36,716 11,717 1,718 20,720 38,721 15,722 8,723 4,724 2,725 1,730 3,731 6,740 4,743 4,745 9,746 6,750 1,755 1,757 1,761 1,764 18,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 18,833 3,837 1,838 1,847 2.8,850 1,854 9.333,855 7.033,856 3.972,857 2.196,858 2.253,859 1.334,860 0.997,861 2.807,862 8.994,863 3.296,864 3.917,865 4.594,866 5.249,867 5.788,868 6.179,869 6.539,870 6.916,871 6.973,872 7.028,873 1,874 30,875 6.664,877 2.835,878 7.593,879 13.149,881 11.253,883 2.093,884 37.667,885 0.003,888 200.109,889 78.094,890 19.91,892 25.145,895 78.094,896 225.254,897 19.91,898 16.793,899 7.604,900 28,901 48.34,902 32.04,903 13.915,904 176.567,906 200.109,907 98.004,908 25.145,911 153.024,912 72.229,915 27.513,916 59.066,917 11.424,919 200.109,920 45.055,921 78.094,924 200.109,925 21.877,926 59.341,927 16.786,928 25.145,929 200.109,930 45.055,931 78.094,933 0.588,934 0.361,935 0.198,936 0.112,937 16,938 7,939 0.053,940 2,941 2,942 1.308,943 2.946,944 137.732,945 0.308,946 13,947 73.059,951 11.638,952 4.342,953 1.836,954 2.212,955 28.269,956 6.114,958 3.188,961 3.561,963 16.786,964 323.258,965 26,970 11.152,972 0.957,975 35.6,976 40.528,977 0.271,978 0.656,979 0.841,980 0.874,981 0.874,982 0.874,983 4.549,984 0.791,985 5.485,986 2.165,987 4.078,988 4.6,989 0.673,990 6.358,991 4.041,992 5.764,993 0.318,994 7.084,995 1.821,996 3.761,997 4.543,998 0.325,999 7.398,1000 3.693,1001 7.09,1002 -0.371,1003 8.785,1004 0.495,1005 5.727,1006 6.892,1007 0.379,1008 10.524,1009 5.66,1010 8.458,1011 -0.607,1012 10.544,1013 -0.96,1014 6.236,1015 7.731,1016 0.268,1017 12.402,1018 6.147,1019 9.864,1020 -1,1021 12.34,1022 -1.501,1023 7.688,1024 9.564,1025 0.239,1026 15.064,1027 7.599,1028 11.298,1029 -1,1030 14.163,1031 -2,1032 8.564,1033 10.801,1034 0.188,1035 17.285,1036 8.46,1037 12.753,1038 -1.224,1039 16.005,1040 -3.067,1041 9.826,1042 12.445,1043 0.156,1044 19.801,1045 9.721,1046 3.264,1047 -1.478,1048 17.862,1049 -3.383,1050 10.865,1051 13.857,1052 0.125,1053 22.161,1054 10.752,1055 2.751,1056 11.656,1057 19.731,1058 -4.244,1059 12.061,1060 15.432,1061 0.102,1062 24.632,1063 11.945,1064 2.4,1065 8.577,1066 21.609,1067 4.646,1068 13.173,1069 16.916,1070 0.082,1071 27.048,1072 13.052,1073 1.972,1074 7.569,1075 23.496,1076 3.364,1077 14.348,1078 18.466,1079 0.066,1080 29.506,1081 14.224,1082 1.609,1083 5.891,1084 25.389,1085 2.819,1086 15.493,1087 19.98,1088 0.054,1089 31.945,1090 15.365,1091 1.267,1092 4.592,1093 27.289,1094 2.617,1095 16.664,1096 21.52,1097 0.043,1098 34.399,1099 16.532,1100 0.858,1101 2.975,1102 29.193,1103 2.093,1104 17.825,1105 23.047,1106 0.035,1107 36.848,1108 17.69,1109 2454,1110 3745,1111 13.235,1112 23.557,1113 31.163,1114 32.296,1115 32.067,1116 30.574,1117 30.458,1118 39.076,1119 1.6,1120 91.485,1121 29.875,1122 5.632,1123 5.402,1124 6.462,1125 5.256,1126 5.264,1127 7.646,1128 1.2,1129 18.934,1130 5.24,1131 8.656,1132 1.558,1133 1.615,1134 1.603,1135 1.529,1136 1.523,1137 1.954,1138 0.08,1139 4.574,1140 1.494,1141 4.163,1142 4.192,1143 4.124,1144 4.091,1145 7.452,1146 4.095,1147 3.775,1148 3.839,1149 3.669,1150 3.628,1151 4.934,1152 3.63,1153 3.485,1154 3.555,1155 3.368,1156 3.317,1157 4.397,1158 3.321,1159 3.272,1160 3.324,1161 3.138,1162 3.087,1163 4.217,1164 3.082,1165 3.054,1166 3.125,1167 2.905,1168 2.884,1169 3.861,1170 2.865,1171 3.034,1172 3.103,1173 2.845,1174 2.776,1175 3.556,1176 2.801,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.674,1184 2.743,1185 2.499,1186 2.5,1187 3.323,1188 2.495,1189 0.234,1190 0.17,1191 0.346,1192 0.213,1193 0.163,1194 4.687,1195 0.232,1196 3.402,1197 0.04,1198 6.918,1199 0.583,1200 4.256,1201 0.162,1202 3.264,1203 4.646,1204 0.8,1205 11.656,1206 3.24,1207 2.03,1208 2.007,1209 2.136,1210 2.111,1211 1.465,1212 2.121,1213 1.646,1214 1.586,1215 1.84,1216 1.848,1217 1.043,1218 1.85,1219 1.553,1220 1.515,1221 1.686,1222 1.748,1223 0.841,1224 1.733,1225 1.361,1226 1.275,1227 1.655,1228 1.587,1229 0.723,1230 1.613,1231 1.1,1232 1.022,1233 1.421,1234 1.306,1235 0.637,1236 1.349,1237 0.954,1238 0.889,1239 1.417,1240 1.241,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.211,1246 1.239,1247 0.328,1248 1.235,1249 0.645,1250 0.565,1251 1.004,1252 0.866,1253 0.14,1254 0.919,1255 3.714,1257 5.056,1258 2.398,1259 6.611,1260 4.727,1261 8.265,1262 6.843,1263 9.974,1265 4.265,1271 3.35,1275 0.581,1276 2.287,1280 21.972,1281 50.455,1282 122.012,1283 156.608,1284 162.608,1285 162.608,1286 162.608,1287 23.074,1288 6.742,1289 36.1,1290 36.1,1291 17,1292 12.368,1293 3.585,1294 2.807,1295 25.505,1296 43,1297 41,1298 0.307,1299 135.423,1300 226.77,1301 322.193,1302 6256,1304 12.698,1305 0.705,1306 0.604,1307 12.698,1308 10.864,1309 8.703,1310 0.435,1311 0.322,1312 6.366,1313 8.438,1314 6.127,1315 5.102,1316 8.703,1317 6.439,1318 7.902,1319 0.272,1320 0.184,1321 7.902,1322 5.348,1323 6.955,1324 0.17,1325 0.101,1326 6.955,1327 4.126,1328 5.876,1329 0.105,1330 0.054,1331 5.876,1332 3.03,1333 4.885,1334 0.067,1335 0.031,1336 4.885,1337 2.227,1338 0.449,1339 54.121,1340 0.275,1341 17.385,1342 0.947,1343 98,1344 233.714,1345 102.908,1346 229.973,1347 316.92,1348 216,1349 119,1350 230.46,1351 124.492,1352 240.267,1353 350.71,1354 224,1355 8.796} {0 CHEMBL1744041,1 1.18,2 7.429,3 5.142,4 26.442,5 91.038,6 5.806,7 0.435,8 3.938,9 4.088,10 3.303,11 3.486,12 4.772,13 3.405,14 4.548,15 4.772,16 3.65,17 3.919,18 5.266,19 3.804,20 4.845,21 5.106,22 3.698,23 4.093,24 5.503,25 3.935,26 4.97,27 5.259,28 3.673,29 4.151,30 5.555,31 3.968,32 4.981,33 5.259,34 3.594,35 4.165,36 5.562,37 3.953,38 5.061,39 5.38,40 3.472,41 4.119,42 5.617,43 3.876,44 4.954,45 5.291,46 3.239,47 3.963,48 5.496,49 3.699,50 4.66,51 4.991,52 3.037,53 3.696,54 5.242,55 3.45,56 0.066,57 0.695,58 12.41,59 4.959,60 7.654,61 7.362,62 0.139,63 1.168,64 22.04,65 8.34,66 12.448,67 12.623,68 0.186,69 1.469,70 28.804,71 10.882,72 17.789,73 16.477,74 0.207,75 1.583,76 31.855,77 12.246,78 16.982,79 18.405,80 0.163,81 1.587,82 31.887,83 13.271,84 16.119,85 19.412,86 0.219,87 1.613,88 33.683,89 13.562,90 21.228,91 19.998,92 0.168,93 1.392,94 29.653,95 12.046,96 20.007,97 17.761,98 0.128,99 1.051,100 22.203,101 8.94,102 16.31,103 13.223,104 19,105 32,106 0.203,107 0.512,108 0.751,109 0.839,110 0.846,111 0.846,112 3.104,113 1.109,114 -5.13,115 -5.03,116 -4.71,119 38.8,120 3,121 4,122 1,125 2,127 1,140 3,141 3,149 1,150 1,169 11,172 4,176 3,178 12,182 5,186 2,189 11,193 2,197 2,199 10,203 2,208 1,211 14,215 1,218 1,220 1,222 12,233 10,242 2,244 8,254 3,256 3,259 512,260 14.301,261 14.301,262 14.301,263 14.301,264 14.301,265 13.143,266 13.555,267 8.551,268 14.465,269 11.345,270 11.345,271 11.345,272 11.345,273 11.345,274 9.575,275 15.648,276 3.971,277 11.627,278 4.435,279 2.644,280 1.251,281 0.74,282 0.699,283 0.699,284 3.784,288 1,289 1,290 332,291 3.391,294 39.639,295 82.899,298 67.029,299 70.883,302 1.17,303 6.938,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 43,315 156,316 4.593,317 3.343,318 6.722,319 4.174,320 3.184,321 4.525,322 0.8,323 10.96,324 3.155,325 3.917,326 3.028,327 6.148,328 3.76,329 2.813,330 3.292,332 9.089,333 2.664,334 3.685,335 2.538,336 5.698,337 3.368,338 2.39,339 2.791,341 7.57,342 2.334,343 3.191,344 2.12,345 4.788,346 3.061,347 2.068,348 2.48,350 5.317,351 2.051,352 3.08,353 1.932,354 4.722,355 2.753,356 1.763,357 2.092,359 4.991,360 1.744,361 2.645,362 1.604,363 4.159,364 2.494,365 1.518,366 1.706,368 3.748,369 1.48,370 2.55,371 1.315,372 3.788,373 2.205,374 1.224,375 1.551,377 2.858,378 1.199,379 2.094,380 0.962,381 3.427,382 1.87,383 0.89,384 0.993,386 2.058,387 0.871,388 2,389 0.914,390 3.181,391 1.779,392 0.809,393 0.934,395 1.603,396 0.783,397 1.802,398 0.593,399 2.982,400 1.51,401 0.535,402 0.699,404 1.25,405 0.521,406 0.907,407 -0.136,408 2.542,409 0.662,410 -0.315,411 -0.337,413 -0.64,414 -0.306,415 0.64,416 -0.219,417 2.478,418 0.589,419 -0.381,420 -0.411,422 -0.849,423 -0.369,424 0.632,425 -0.529,426 2.185,427 0.302,428 -0.688,429 -0.802,431 -1.891,432 -0.68,433 0.293,434 -0.897,435 2.099,436 0.032,437 -0.954,438 -1,440 -2,441 -0.939,443 -1,444 1.763,446 -1,447 -1.067,449 -2.327,450 -1,451 10.3,452 0.49,453 0.486,454 0.023,455 20.75,456 0.988,457 8,458 0.381,459 12.75,460 0.607,461 23.006,462 1.096,463 23.9,464 0.488,465 10.949,466 0.521,467 3.363,468 0.16,469 6.823,470 0.325,471 0.146,473 0.33,479 1.132,480 1.385,481 1.077,482 1.205,483 1.198,484 1.15,485 1.375,486 1.148,487 1.034,488 1.027,489 0.846,490 1.014,491 1.344,492 1.111,493 1.083,494 1.052,495 0.945,496 1.052,497 1.273,498 0.914,499 1.012,500 0.924,501 0.862,502 0.948,503 0.717,504 1.175,505 1.093,506 1.194,507 0.893,508 1.17,509 0.741,510 0.946,511 0.957,512 0.989,513 0.838,514 0.986,515 0.715,516 0.844,517 0.879,518 0.892,519 0.974,520 0.894,521 0.76,522 0.846,523 0.87,524 0.878,525 0.959,526 0.879,527 4,529 2.444,530 1.063,531 1.218,532 0.715,533 0.356,534 0.314,535 0.185,536 0.121,537 3948,538 6176,539 2.074,540 57.1,541 11,542 8,543 1,545 1,547 7,550 1.637,551 1.938,552 2.941,553 -0.432,559 57.804,560 1.18,561 2.971,562 4.364,563 4.875,564 4.915,565 4.915,566 2.244,567 4.202,568 4.365,569 3.085,570 647.754,571 7.504,572 6806.4,577 275.121,578 1.418,579 4.322,580 0.174,582 0.076,583 0.033,584 0.039,585 0.026,586 0.015,587 0.017,588 0.012,589 0.013,590 0.408,591 0.67,592 1,593 1.466,594 93.229,595 0.08,596 -0.102,597 0.067,598 -0.011,599 -0.02,600 0.02,601 -0.017,602 0.009,603 0.05,604 0.043,605 0.125,606 0.049,607 -0.076,608 -0.035,609 -0.045,610 -0.036,611 -0.01,612 -0.038,613 -0.114,614 0.101,615 -0.008,616 0.059,617 -0.024,618 0.036,619 -0.006,620 -0.185,621 -0.118,622 -0.167,623 -0.066,624 -0.152,625 0.086,626 -0.023,627 -0.011,628 -0.033,629 0.048,630 -0.028,631 0.015,632 0.037,633 0.042,634 0.044,635 -0.038,636 0.044,637 0.021,638 0.05,639 0.061,640 0.063,641 0.079,642 0.064,643 0.611,644 0.858,645 0.619,646 14.494,647 0.973,648 1.13,649 3.901,650 15.215,651 0.631,652 3.178,653 3.497,654 3.784,655 4.094,656 4.317,657 4.431,658 4.575,659 4.718,660 4.718,661 4.605,662 4.884,663 0.569,664 284.49,665 3.178,666 4.71,667 5.565,668 6.454,669 7.335,670 8.232,671 9.124,672 10.024,673 10.921,674 11.823,675 4.1,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 49,716 10,717 1,718 23,720 51,721 19,722 8,723 4,724 2,730 3,731 6,736 3,740 4,743 5,745 8,746 11,747 1,764 28,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,827 21,833 6,837 2,838 1,854 10.833,855 9.45,856 4.694,857 3.489,858 2.104,859 1.304,860 0.967,861 4.464,862 9.037,863 3.367,864 3.937,865 4.534,866 5.149,867 5.624,868 5.987,869 6.361,870 6.725,871 6.698,872 6.821,873 0.8,874 32,875 7.821,877 3.228,878 7.254,879 16.019,881 13.669,883 1.754,884 36.833,885 0.003,887 1,888 317.82,889 89.39,890 19.91,895 89.39,896 317.82,897 19.91,898 26.476,899 14.35,900 37.476,902 28.854,903 13.915,904 306.049,906 317.82,907 109.299,911 235.422,912 82.398,915 60.735,916 48.564,919 317.82,920 19.91,921 89.39,924 317.82,925 25.438,926 67.076,927 16.786,929 317.82,930 19.91,931 89.39,933 0.571,934 0.329,935 0.195,936 0.109,937 16,938 7,939 0.098,940 5,941 2,942 1.308,943 3.275,944 164.317,945 0.308,946 13,947 90.239,951 14.805,952 6.332,953 3.068,954 2.735,955 3.124,956 8.902,958 3.358,961 3.161,963 16.786,964 427.119,965 28,975 47.69,976 55.394,977 0.21,978 0.529,979 0.777,980 0.868,981 0.875,982 0.875,983 4.61,984 0.89,985 5.549,986 2.858,987 4.174,988 4.62,989 0.673,990 6.378,991 4.128,992 5.789,993 0.809,994 7.114,995 2.058,996 3.761,997 4.46,998 0.325,999 7.322,1000 3.693,1001 7.09,1002 0.535,1003 8.782,1004 1.603,1005 5.771,1006 6.823,1007 0.379,1008 10.441,1009 5.68,1010 8.43,1011 -0.315,1012 10.512,1013 1.25,1014 6.196,1015 7.587,1016 0.268,1017 12.228,1018 6.083,1019 9.81,1020 -0.381,1021 12.282,1022 -0.64,1023 7.672,1024 9.426,1025 0.239,1026 14.858,1027 7.541,1028 11.218,1029 -0.688,1030 14.08,1031 -0.849,1032 8.483,1033 10.608,1034 0.188,1035 16.984,1036 8.336,1037 12.648,1038 -0.954,1039 15.897,1040 -1.891,1041 9.747,1042 12.247,1043 0.156,1044 19.449,1045 9.588,1046 3.184,1047 -1,1048 17.729,1049 -2,1050 10.737,1051 13.615,1052 0.125,1053 21.719,1054 10.567,1055 2.813,1056 10.96,1057 19.572,1058 -2.327,1059 11.919,1060 15.175,1061 0.102,1062 24.128,1063 11.74,1064 2.39,1065 9.089,1066 21.423,1067 4.525,1068 12.991,1069 16.624,1070 0.082,1071 26.46,1072 12.804,1073 2.068,1074 7.57,1075 23.281,1076 3.292,1077 14.144,1078 18.153,1079 0.066,1080 28.851,1081 13.95,1082 1.763,1083 5.317,1084 25.146,1085 2.791,1086 15.254,1087 19.636,1088 0.054,1089 31.212,1090 15.055,1091 1.518,1092 4.991,1093 27.015,1094 2.48,1095 16.399,1096 21.153,1097 0.043,1098 33.599,1099 16.194,1100 1.224,1101 3.748,1102 28.888,1103 2.092,1104 17.528,1105 22.651,1106 0.035,1107 35.974,1108 17.318,1109 3933,1110 5026,1111 15.315,1112 30.91,1113 34.768,1114 34.473,1115 35.58,1116 34.384,1117 34.388,1118 42.127,1119 1.6,1120 98.89,1121 33.604,1122 5.539,1123 5.343,1124 6.486,1125 5.191,1126 5.184,1127 7.525,1128 1.2,1129 18.174,1130 5.155,1131 9.882,1132 1.512,1133 1.499,1134 1.547,1135 1.495,1136 1.495,1137 1.832,1138 0.07,1139 4.3,1140 1.461,1141 4.153,1142 4.187,1143 4.106,1144 4.08,1145 4.968,1146 4.082,1147 3.831,1148 3.898,1149 3.715,1150 3.676,1151 4.401,1152 3.676,1153 3.638,1154 3.704,1155 3.496,1156 3.513,1157 4.269,1158 3.5,1159 3.546,1160 3.625,1161 3.349,1162 3.398,1163 4.107,1164 3.376,1165 3.299,1166 3.364,1167 3.157,1168 3.183,1169 3.963,1170 3.17,1171 3.054,1172 3.15,1173 2.85,1174 2.876,1175 3.674,1176 2.855,1177 3.02,1178 3.109,1179 2.831,1180 2.831,1181 3.543,1182 2.823,1183 2.874,1184 3.009,1185 2.532,1186 2.618,1187 3.467,1188 2.57,1189 0.2,1190 0.145,1191 0.292,1192 0.181,1193 0.138,1194 4.593,1195 0.197,1196 3.343,1197 0.035,1198 6.722,1199 0.477,1200 4.174,1201 0.137,1202 3.184,1203 4.525,1204 0.8,1205 10.96,1206 3.155,1207 2.029,1208 2.004,1209 2.141,1210 2.115,1211 1.478,1212 2.126,1213 1.768,1214 1.705,1215 1.992,1216 1.943,1217 1.263,1218 1.96,1219 1.601,1220 1.532,1221 1.892,1222 1.788,1223 1.128,1224 1.826,1225 1.537,1226 1.468,1227 1.755,1228 1.745,1229 0.992,1230 1.753,1231 1.461,1232 1.406,1233 1.649,1234 1.618,1235 0.781,1236 1.64,1237 1.183,1238 1.107,1239 1.488,1240 1.404,1241 0.646,1242 1.439,1243 0.994,1244 0.894,1245 1.417,1246 1.247,1247 0.554,1248 1.308,1249 0.934,1250 0.804,1251 1.367,1252 1.239,1253 0.469,1254 1.294,1255 3.85,1257 5.165,1258 2.398,1259 6.681,1260 4.595,1261 8.302,1262 6.605,1263 9.983,1265 6.974,1271 7.495,1275 1.473,1276 2.735,1280 27.891,1281 57.804,1282 145.569,1283 213.837,1284 238.856,1285 240.856,1286 240.856,1287 26.458,1288 6.932,1289 19.03,1290 19.03,1291 17,1292 12.344,1293 3.459,1294 2.585,1295 31.995,1296 62,1297 56,1298 0.264,1299 172.724,1300 289.82,1301 413.206,1302 8202,1304 14.82,1305 0.706,1306 0.65,1307 14.82,1308 13.654,1309 10.186,1310 0.443,1311 0.37,1312 8.458,1313 10.018,1314 8.123,1315 6.845,1316 10.186,1317 8.506,1318 9.108,1319 0.285,1320 0.216,1321 9.108,1322 6.928,1323 7.365,1324 0.171,1325 0.111,1326 7.365,1327 4.756,1328 6.551,1329 0.111,1330 0.066,1331 6.551,1332 3.867,1333 5.261,1334 0.071,1335 0.039,1336 5.261,1337 2.898,1338 0.399,1339 62.144,1340 0.256,1341 20.387,1342 0.772,1343 110,1344 191.978,1345 114.135,1346 195.384,1347 282.68,1348 186,1349 130,1350 219.437,1351 134.829,1352 226.937,1353 334.55,1354 215,1355 7.456} {0 CHEMBL1765683,1 1.657,2 10.625,3 4.363,4 19.031,5 125.245,6 9.007,7 0.486,8 4.11,9 4.214,10 3.842,11 3.683,12 5.256,13 3.663,14 4.649,15 4.799,16 4.255,17 4.077,18 5.721,19 4.043,20 4.891,21 5.067,22 4.447,23 4.25,24 6.004,25 4.192,26 4.988,27 5.19,28 4.459,29 4.281,30 6.157,31 4.213,32 4.971,33 5.17,34 4.423,35 4.28,36 6.208,37 4.211,38 4.913,39 5.091,40 4.496,41 4.295,42 6.104,43 4.22,44 4.979,45 5.16,46 4.521,47 4.296,48 6.152,49 4.2,50 4.979,51 5.205,52 4.193,53 4.213,54 5.993,55 4.096,56 0.069,57 0.778,58 8.317,59 4.964,60 12.005,61 5.975,62 0.294,63 1.255,64 19.771,65 8.587,66 32.25,67 10.301,68 0.449,69 1.611,70 31.722,71 10.871,72 52.511,73 13.326,74 0.556,75 1.781,76 39.405,77 11.409,78 64.967,79 14.278,80 0.579,81 1.681,82 36.094,83 11.814,84 103.087,85 14.432,86 0.46,87 1.61,88 29.248,89 11.717,90 60.686,91 14.421,92 0.543,93 1.673,94 51.965,95 13.136,96 59.033,97 15.451,98 0.546,99 1.613,100 45.106,101 13.083,102 65.441,103 16.233,104 30,105 50,106 0.271,107 0.632,108 0.768,109 0.827,110 0.833,111 0.833,112 3.503,113 0.949,114 -4,115 -3.95,116 -3.74,117 1,119 43.6,120 1,121 2,124 1,125 2,129 1,140 8,141 2,142 3,144 1,150 1,156 2,164 1,169 8,172 8,174 1,176 2,178 9,181 1,182 14,184 2,186 1,189 8,192 1,193 12,195 2,197 1,199 7,202 2,203 6,208 1,211 13,214 3,215 7,220 3,222 15,225 3,226 8,231 5,233 11,236 1,237 4,242 1,244 8,248 1,249 7,252 1,256 10,259 1736,260 21.759,261 21.759,262 21.759,263 21.759,264 21.759,265 19.499,266 23.633,267 12.54,268 22.346,269 17.057,270 17.057,271 17.057,272 17.057,273 17.057,274 13.514,275 23.861,276 5.696,277 17.969,278 4.124,279 1.915,280 1.082,281 0.718,282 0.682,283 0.682,284 4.194,289 1,290 726,291 3.606,294 93.45,295 333.315,302 1.586,303 33.335,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.75,315 340,316 4.704,317 4.359,318 7.219,319 4.361,320 3.39,321 4.459,322 2.437,323 12.71,324 3.29,325 4.449,326 3.644,327 7.04,328 4.266,329 3.298,330 3.769,331 1.049,332 12.058,333 3.191,334 4.153,335 3.354,336 6.312,337 3.728,338 2.784,339 3.622,340 0.86,341 9.346,342 2.62,343 4.02,344 3.145,345 6.015,346 3.623,347 2.641,348 3.468,349 0.86,350 8.427,351 2.57,352 3.69,353 2.975,354 5.347,355 3.299,356 2.345,357 3.016,359 6.836,360 2.221,361 3.276,362 2.803,363 5.02,364 2.835,365 1.881,366 2.528,368 5.535,369 1.786,370 3.141,371 2.271,372 4.878,373 2.674,374 1.706,375 2.226,377 4.863,378 1.639,379 3.045,380 2.219,381 4.192,382 2.464,383 1.583,384 2.012,386 3.36,387 1.377,388 2.86,389 2.146,390 3.947,391 2.341,392 1.414,393 1.666,395 3.099,396 1.206,397 2.561,398 1.577,399 3.797,400 2.046,401 1.057,402 1.537,404 2.866,405 1.043,406 2.525,407 1.346,408 3.732,409 2,410 1,411 1.5,413 2.717,414 1,415 2.5,416 1.2,417 3.589,418 1.969,419 1,420 1.399,422 2.275,423 0.963,424 2.422,425 1.152,426 3.414,427 1.957,428 0.996,429 1,431 2.23,432 0.948,433 2,434 1,435 3.325,436 1.406,437 0.512,438 0.875,440 0.816,441 0.45,442 1.668,443 0.972,444 3.137,445 1.37,446 0.466,447 0.566,449 0.67,450 0.421,451 15.933,452 0.498,453 0.782,454 0.024,455 41.25,456 1.289,457 21,458 0.656,459 20.25,460 0.633,461 31.513,462 0.985,463 33.267,464 0.605,465 32.734,466 1.023,467 7.938,468 0.248,469 7.538,470 0.236,471 0.192,472 0.031,473 0.276,479 0.742,480 1.174,481 0.505,482 0.916,483 0.545,484 0.887,485 1.092,486 1.147,487 0.579,488 0.807,489 0.621,490 0.819,491 0.999,492 1.151,493 0.85,494 0.954,495 0.823,496 0.955,497 1.001,498 1.05,499 0.983,500 0.956,501 1.236,502 0.964,503 1.164,504 0.892,505 0.82,506 0.777,507 1.625,508 0.837,509 0.842,510 1.059,511 0.789,512 0.904,513 1.085,514 0.948,515 0.974,516 1.156,517 1.627,518 1.352,519 1.065,520 1.216,521 1.074,522 0.868,523 1.031,524 0.962,525 1.126,526 0.999,527 6.5,528 0.161,529 4,530 2.917,531 2.497,532 1.674,533 1.003,534 0.74,535 0.571,536 0.207,537 12488,538 37408,539 2.056,540 41.8,541 3,542 15,545 1,548 4,550 1.753,551 1.91,552 3.336,553 -0.341,555 1,559 91.139,560 1.657,561 3.867,562 4.699,563 5.063,564 5.099,565 5.099,566 2.844,567 4.688,568 4.968,569 3.517,570 1744.54,571 8.743,572 24654.4,577 317.975,578 1.574,579 4.918,580 0.186,581 0.005,582 0.08,583 0.053,584 0.046,585 0.031,586 0.018,587 0.015,588 0.014,589 0.005,590 0.453,591 0.33,592 0.88,593 0.825,594 164.787,595 0.008,596 -0.052,597 0.009,598 -0.041,599 0.004,600 -0.003,601 -0.072,602 -0.098,603 0.038,604 0.087,605 -0.001,606 0.091,607 -0.033,608 -0.087,610 -0.025,611 -0.006,612 -0.031,613 -0.052,614 0.048,615 -0.039,616 -0.032,617 -0.085,618 -0.044,619 -0.114,620 0.147,621 0.003,622 0.146,623 -0.07,624 0.099,625 0.063,626 -0.026,627 0.046,628 0.042,629 0.03,631 0.012,632 -0.133,633 -0.128,634 -0.263,635 -0.007,636 -0.239,637 -0.111,638 0.098,639 -0.066,640 0.019,641 -0.112,642 -0.004,643 2.195,644 6.301,645 0.719,646 31.438,647 1.008,648 1.12,649 2.766,650 7.653,651 0.697,652 3.584,653 3.932,654 4.248,655 4.522,656 4.754,657 4.875,658 5.017,659 5.136,660 5.263,661 5.298,662 6.423,663 0.664,664 495.41,665 3.584,666 5.142,667 6.014,668 6.915,669 7.808,670 8.719,671 9.621,672 10.537,673 11.445,674 12.365,675 7.3,682 1,683 1,684 1,685 1,688 8,689 1,693 7,694 1,695 17,702 1,712 1,713 1,714 55,716 19,717 2,718 35,719 1,720 58,721 24,722 15,723 4,724 8,725 1,730 4,731 4,736 1,740 2,741 1,743 2,744 1,745 16,746 7,747 1,750 1,755 1,759 1,764 23,765 6,766 1,767 8,768 1,773 4,777 1,778 3,784 1,792 1,793 3,801 1,818 1,819 4,822 1,823 2,827 32,833 4,834 1,835 2,839 1,840 1,843 1,845 1,846 1,847 5.5,850 1,851 1,852 1,854 16.75,855 10.66,856 7.194,857 3.248,858 2.799,859 1.368,860 0.965,861 6.663,862 10.41,863 3.861,864 4.434,865 5.046,866 5.618,867 6.138,868 6.501,869 6.936,870 7.325,871 7.721,872 7.999,873 1,874 55,875 11.851,877 5.078,878 7.792,879 22.436,881 18.383,883 2.292,884 73.333,888 258.964,889 154.018,890 113.464,892 47.145,895 199.972,896 306.109,897 67.51,898 19.708,899 32.265,900 75.81,901 74.114,902 64.019,903 2.757,904 258.964,905 45.954,906 258.964,907 221.528,908 47.145,910 45.954,911 211.88,912 83.229,913 11,915 76.682,916 128.183,917 16.663,918 45.954,919 258.964,920 114.654,921 199.972,924 258.964,925 41.898,926 97.295,927 80.567,928 94.867,929 258.964,930 114.654,931 199.972,933 0.581,934 0.36,935 0.195,936 0.104,937 24,938 11,939 0.086,940 5,942 1,943 4.091,944 306.293,946 23,947 152,951 22.541,952 9.459,953 4.478,955 112.878,956 15.322,957 4.693,961 5.098,962 1.763,963 18.011,964 573.591,965 46.5,970 13.301,974 -0.369,975 55.454,976 61.615,977 0.287,978 0.669,979 0.813,980 0.876,981 0.882,982 0.882,983 5.125,984 1.583,985 6.033,986 4.863,987 4.615,988 5.121,989 2.893,990 6.925,991 4.524,992 6.353,993 1.414,994 7.649,995 3.36,996 4.369,997 4.977,999 8.201,1000 4.239,1001 7.687,1002 1.057,1003 9.377,1004 3.099,1005 6.323,1006 7.323,1007 4.333,1008 11.268,1009 6.167,1010 9.059,1011 1,1012 11.174,1013 2.866,1014 6.929,1015 8.027,1017 13.358,1018 6.739,1019 10.466,1020 1,1021 13.015,1022 2.717,1023 8.374,1024 9.842,1025 6.051,1026 16.02,1027 8.16,1028 11.897,1029 0.996,1030 14.886,1031 2.275,1032 9.33,1033 10.929,1035 18.388,1036 9.083,1037 13.346,1038 0.512,1039 16.778,1040 2.23,1041 10.604,1042 12.537,1043 7.822,1044 20.943,1045 10.332,1046 3.39,1047 0.466,1048 18.685,1049 0.816,1050 11.704,1051 13.812,1053 23.407,1054 11.4,1055 3.298,1056 12.71,1057 20.604,1058 0.67,1059 12.922,1060 15.336,1061 9.602,1062 25.936,1063 12.592,1064 2.784,1065 12.058,1066 22.531,1067 4.459,1068 14.081,1069 16.708,1071 28.436,1072 13.72,1073 2.641,1074 9.346,1075 24.464,1076 3.769,1077 15.285,1078 18.2,1079 11.383,1080 30.959,1081 14.896,1082 2.345,1083 8.427,1084 26.403,1085 3.622,1086 16.469,1087 19.624,1089 33.474,1090 16.05,1091 1.881,1092 6.836,1093 28.347,1094 3.468,1095 17.671,1096 21.106,1097 13.165,1098 35.997,1099 17.223,1100 1.706,1101 5.535,1102 30.294,1103 3.016,1104 18.866,1105 22.558,1107 38.518,1108 18.389,1109 12090,1110 21054,1111 23.057,1112 38.353,1113 54.169,1114 56.44,1115 56.302,1116 52.304,1117 52.146,1118 67.289,1119 10.412,1120 155.619,1121 49.449,1122 5.704,1123 6.359,1124 6.951,1125 5.435,1126 5.39,1127 7.459,1128 4.874,1129 20.336,1130 5.29,1131 16.353,1132 1.548,1133 1.613,1134 1.609,1135 1.494,1136 1.49,1137 1.923,1138 0.297,1139 4.446,1140 1.413,1141 4.096,1142 4.132,1143 6.88,1144 3.991,1145 7.429,1146 4,1147 3.866,1148 3.907,1149 4.05,1150 3.811,1151 6.817,1152 3.796,1153 3.855,1154 3.877,1155 3.789,1156 3.721,1157 4.974,1158 3.73,1159 3.717,1160 3.749,1161 3.747,1162 3.6,1163 4.815,1164 3.609,1165 3.314,1166 3.357,1167 3.62,1168 3.041,1169 4.626,1170 3.08,1171 3.225,1172 3.293,1173 3.232,1174 2.958,1175 4.607,1176 2.975,1177 3.111,1178 3.206,1179 3.097,1180 2.941,1181 4.322,1182 2.91,1183 3.092,1184 3.172,1185 3.001,1186 2.9,1187 3.97,1188 2.874,1189 0.134,1190 0.125,1191 0.206,1192 0.125,1193 0.097,1194 4.704,1195 0.127,1196 4.359,1197 0.07,1198 7.219,1199 0.363,1200 4.361,1201 0.094,1202 3.39,1203 4.459,1204 2.437,1205 12.71,1206 3.29,1207 1.943,1208 1.921,1209 2.024,1210 2.035,1211 1.318,1212 2.034,1213 1.86,1214 1.838,1215 1.991,1216 2.009,1217 1.164,1218 2.003,1219 1.819,1220 1.778,1221 1.948,1222 1.938,1223 1.056,1224 1.948,1225 1.582,1226 1.553,1227 1.755,1228 1.739,1229 0.873,1230 1.737,1231 1.305,1232 1.256,1233 1.569,1234 1.583,1235 0.825,1236 1.56,1237 1.169,1238 1.093,1239 1.513,1240 1.471,1241 0.576,1242 1.486,1243 1.153,1244 1.064,1245 1.411,1246 1.398,1247 0.448,1248 1.429,1249 1.106,1250 1.042,1251 1.27,1252 1.376,1253 0.377,1254 1.365,1255 4.263,1257 5.602,1258 2.398,1259 7.152,1260 4.844,1261 8.791,1262 7.05,1263 10.474,1264 3.594,1265 3.493,1271 1.778,1272 2.928,1273 10.657,1277 -0.945,1278 9.744,1279 2.276,1280 36.523,1281 91.139,1282 212.672,1283 258.465,1284 278.465,1285 280.465,1286 280.465,1287 67.329,1288 7.611,1289 89.17,1290 89.17,1291 23,1292 12.876,1293 4.322,1294 3.644,1295 51.373,1296 122,1297 140,1298 0.207,1299 230.291,1300 402.23,1301 553.671,1302 18391,1303 1.8,1304 22.717,1305 0.71,1306 0.609,1307 23.717,1308 19.478,1309 15.476,1310 0.442,1311 0.316,1312 10.177,1313 14.322,1314 9.846,1315 8.131,1316 16.054,1317 11.076,1318 13.71,1319 0.274,1320 0.171,1321 14.452,1322 8.529,1323 12.212,1324 0.177,1325 0.092,1326 12.929,1327 6.365,1328 10.152,1329 0.112,1330 0.047,1331 10.77,1332 4.311,1333 7.992,1334 0.069,1335 0.025,1336 8.461,1337 2.828,1338 0.316,1339 105.602,1340 0.208,1341 29.297,1342 0.6,1343 170,1344 517.129,1345 251.724,1346 533.436,1347 716.05,1348 498,1349 204,1350 497.084,1351 256.047,1352 516.22,1353 757.25,1354 484,1355 5} {0 CHEMBL1765684,1 1.584,2 10.625,3 6.38,4 40.699,5 127.783,6 8.657,7 0.486,8 4.13,9 4.243,10 3.831,11 3.728,12 5.24,13 3.691,14 4.675,15 4.839,16 4.249,17 4.137,18 5.698,19 4.078,20 4.959,21 5.159,22 4.447,23 4.306,24 6.013,25 4.224,26 5.043,27 5.263,28 4.453,29 4.319,30 6.158,31 4.236,32 4.992,33 5.197,34 4.418,35 4.312,36 6.193,37 4.233,38 4.95,39 5.139,40 4.492,41 4.327,42 6.104,43 4.243,44 5.004,45 5.187,46 4.517,47 4.323,48 6.169,49 4.221,50 5,51 5.231,52 4.183,53 4.251,54 5.988,55 4.124,56 0.036,57 0.804,58 9.535,59 5.214,60 11.136,61 6.644,62 0.148,63 1.321,64 21.093,65 9.196,66 25.039,67 11.87,68 0.317,69 1.729,70 36.168,71 12.148,72 48.199,73 15.887,74 0.442,75 1.874,76 44.008,77 12.41,78 63.048,79 16.148,80 0.427,81 1.744,82 37.643,83 12.088,84 90.745,85 15.247,86 0.298,87 1.682,88 32.408,89 12.196,90 56.289,91 15.439,92 0.448,93 1.72,94 54.032,95 13.499,96 64.305,97 16.135,98 0.406,99 1.679,100 45.959,101 13.345,102 60.976,103 16.925,104 30,105 50,106 0.257,107 0.595,108 0.721,109 0.813,110 0.834,111 0.834,112 3.503,113 0.986,114 -4.96,115 -4.86,116 -4.56,117 1,119 43.9,120 1,121 5,124 1,129 1,140 8,141 2,142 3,144 1,150 1,156 2,164 1,169 12,172 6,174 1,176 2,178 12,181 1,182 14,184 2,186 3,189 10,192 1,193 14,195 1,197 2,199 7,202 1,203 9,208 1,211 13,214 2,215 10,220 3,222 17,225 2,226 10,231 5,233 14,237 4,242 1,244 11,248 1,249 6,252 1,256 17,259 1736,260 21.759,261 21.759,262 21.759,263 21.759,264 21.759,265 19.499,266 19.32,267 12.54,268 22.193,269 17.057,270 17.057,271 17.057,272 17.057,273 17.057,274 13.514,275 18.8,276 5.696,277 17.764,278 4.249,279 2.169,280 1.394,281 0.825,282 0.693,283 0.693,284 4.194,289 1,290 726,291 3.606,294 93.45,295 333.315,302 1.586,303 30.057,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67.75,315 340,316 4.704,317 4.358,318 7.219,319 4.362,320 3.39,321 4.459,322 2.437,323 12.71,324 3.294,325 4.449,326 3.644,327 7.04,328 4.267,329 3.298,330 3.769,331 1.049,332 12.058,333 3.194,334 4.153,335 3.353,336 6.312,337 3.728,338 2.784,339 3.622,340 0.86,341 9.346,342 2.62,343 4.02,344 3.134,345 6.015,346 3.623,347 2.641,348 3.468,350 8.427,351 2.57,352 3.69,353 2.974,354 5.347,355 3.299,356 2.345,357 3.016,359 6.836,360 2.221,361 3.276,362 2.803,363 5.02,364 2.837,365 1.881,366 2.528,368 5.535,369 1.791,370 3.141,371 2.221,372 4.878,373 2.684,374 1.706,375 2.226,377 4.863,378 1.65,379 3.045,380 2.146,381 4.192,382 2.581,383 1.583,384 2.012,386 3.36,387 1.577,388 2.86,389 1.635,390 3.947,391 2.341,392 1.414,393 1.666,395 3.099,396 1.206,397 2.561,398 1.577,399 3.797,400 2.046,401 1.057,402 1.537,404 2.866,405 1.043,406 2.525,407 1.346,408 3.732,409 2,410 1,411 1.5,413 2.717,414 1,415 2.5,416 1.152,417 3.589,418 2,419 1,420 1.399,422 2.275,423 1,424 2.422,425 1,426 3.414,427 1.958,428 0.996,429 1,431 2.23,432 0.949,433 2,434 1,435 3.325,436 1.417,437 0.512,438 0.875,440 0.816,441 0.454,442 1.668,443 0.972,444 3.137,445 1.374,446 0.466,447 0.566,449 0.67,450 0.424,451 16.1,452 0.503,453 0.782,454 0.024,455 40.75,456 1.273,457 21,458 0.656,459 19.75,460 0.617,461 32.964,462 1.03,463 33.1,464 0.581,465 31.283,466 0.978,467 7.429,468 0.232,469 8.047,470 0.251,471 0.19,472 0.031,473 0.273,479 0.686,480 1.139,481 0.514,482 0.896,483 0.511,484 0.896,485 0.837,486 1.196,487 0.567,488 0.875,489 0.509,490 0.885,491 0.846,492 1.144,493 0.798,494 0.961,495 0.721,496 0.947,497 1.142,498 1.017,499 0.947,500 0.908,501 1.234,502 0.905,503 1.367,504 0.921,505 0.83,506 0.788,507 1.728,508 0.845,509 1.071,510 1.046,511 0.79,512 0.891,513 1.306,514 0.929,515 1.29,516 1.162,517 1.64,518 1.329,519 1.313,520 1.193,521 1.276,522 0.873,523 1.043,524 0.946,525 1.175,526 0.987,527 6.5,528 0.161,529 4,530 2.917,531 2.497,532 1.674,533 1.003,534 0.74,535 0.571,536 0.207,537 12488,538 33844,539 2.056,540 43.9,541 9,542 11,545 1,547 4,550 1.753,551 1.91,552 3.336,553 -0.372,559 90.282,560 1.584,561 3.664,562 4.438,563 5.008,564 5.14,565 5.14,566 2.844,567 4.688,568 4.968,569 3.517,570 1744.54,571 8.743,572 24654.4,577 332.475,578 1.574,579 4.918,580 0.186,581 0.005,582 0.08,583 0.053,584 0.046,585 0.031,586 0.018,587 0.015,588 0.014,589 0.005,590 0.453,591 0.17,592 0.88,593 0.825,594 164.787,595 0.035,596 -0.015,597 0.008,598 -0.014,599 0.028,600 0.01,601 0.041,602 -0.141,603 0.046,604 0.026,605 0.06,606 0.049,607 0.083,608 -0.098,609 0.032,610 -0.029,611 0.065,612 -0.001,613 -0.059,614 0.062,615 -0.013,616 0.017,617 -0.064,618 0.021,619 -0.165,620 0.132,621 -0.002,622 0.129,623 -0.109,624 0.079,625 -0.024,626 -0.007,627 0.045,628 0.047,629 -0.054,630 0.012,631 -0.046,632 -0.14,633 -0.129,634 -0.248,635 -0.053,636 -0.23,637 -0.199,638 0.109,639 -0.077,640 0.027,641 -0.134,642 -0.012,643 2.07,644 6.342,645 0.719,646 31.438,647 1,648 1.12,649 3.728,650 13.901,651 0.696,652 3.584,653 3.932,654 4.248,655 4.522,656 4.754,657 4.875,658 5.017,659 5.136,660 5.263,661 5.298,662 6.423,663 0.655,664 493.44,665 3.584,666 5.142,667 6.014,668 6.915,669 7.808,670 8.719,671 9.621,672 10.537,673 11.445,674 12.365,675 7,682 1,683 1,684 1,685 1,688 8,689 1,693 7,694 1,695 17,702 1,712 1,713 1,714 57,716 19,717 2,718 35,719 1,720 60,721 25,722 15,723 4,724 8,725 1,730 4,731 4,736 1,740 5,741 1,743 5,744 1,745 16,746 8,747 1,750 1,755 1,759 1,764 25,765 5,766 1,767 7,768 1,773 4,777 1,778 2,784 1,792 1,793 3,801 1,819 4,822 1,823 2,827 32,833 5,834 1,835 1,839 1,840 1,843 1,845 1,846 1,847 3.5,850 1,852 1,854 16.75,855 10.993,856 7.194,857 3.581,858 2.799,859 1.368,860 0.971,861 6.691,862 10.41,863 3.861,864 4.434,865 5.046,866 5.618,867 6.138,868 6.501,869 6.936,870 7.325,871 7.721,872 7.999,873 1,874 55,875 11.866,877 5.085,878 7.729,879 22.718,881 18.844,883 2.229,884 71.333,888 282.506,889 152.437,890 113.464,892 36.145,895 198.391,896 318.651,897 67.51,898 19.708,899 30.683,900 75.81,901 63.114,902 64.019,903 2.757,904 282.506,905 45.954,906 282.506,907 219.947,908 36.145,910 45.954,911 235.422,912 83.229,915 75.101,916 128.183,917 16.663,918 45.954,919 282.506,920 103.654,921 198.391,924 282.506,925 40.317,926 97.295,927 80.567,928 83.867,929 282.506,930 103.654,931 198.391,933 0.581,934 0.36,935 0.195,936 0.104,937 24,938 11,939 0.083,940 5,942 1,943 4.091,944 306.293,946 23,947 152,951 22.579,952 9.483,953 4.492,955 101.878,956 15.439,957 4.725,961 5.263,962 1.788,963 18.011,964 584.552,965 46.5,970 13.342,974 -0.313,975 57.011,976 63.821,977 0.272,978 0.628,979 0.761,980 0.859,981 0.881,982 0.881,983 5.125,984 1.583,985 6.033,986 4.863,987 4.615,988 5.121,989 2.807,990 6.925,991 4.54,992 6.353,993 1.414,994 7.649,995 3.36,996 4.369,997 4.977,999 8.201,1000 4.239,1001 7.687,1002 1.057,1003 9.377,1004 3.099,1005 6.323,1006 7.323,1007 4.318,1008 11.268,1009 6.184,1010 9.059,1011 1,1012 11.174,1013 2.866,1014 6.929,1015 8.027,1017 13.358,1018 6.739,1019 10.466,1020 1,1021 13.015,1022 2.717,1023 8.374,1024 9.842,1025 6.049,1026 16.02,1027 8.173,1028 11.897,1029 0.996,1030 14.886,1031 2.275,1032 9.33,1033 10.929,1035 18.388,1036 9.086,1037 13.346,1038 0.512,1039 16.778,1040 2.23,1041 10.604,1042 12.537,1043 7.822,1044 20.943,1045 10.342,1046 3.39,1047 0.466,1048 18.685,1049 0.816,1050 11.704,1051 13.812,1053 23.407,1054 11.406,1055 3.298,1056 12.71,1057 20.604,1058 0.67,1059 12.922,1060 15.336,1061 9.602,1062 25.936,1063 12.603,1064 2.784,1065 12.058,1066 22.531,1067 4.459,1068 14.081,1069 16.708,1071 28.436,1072 13.73,1073 2.641,1074 9.346,1075 24.464,1076 3.769,1077 15.285,1078 18.2,1079 11.383,1080 30.959,1081 14.908,1082 2.345,1083 8.427,1084 26.403,1085 3.622,1086 16.469,1087 19.624,1089 33.474,1090 16.062,1091 1.881,1092 6.836,1093 28.347,1094 3.468,1095 17.671,1096 21.106,1097 13.165,1098 35.997,1099 17.237,1100 1.706,1101 5.535,1102 30.294,1103 3.016,1104 18.866,1105 22.558,1107 38.518,1108 18.404,1109 12090,1110 20074,1111 23.057,1112 39.659,1113 54.169,1114 56.347,1115 56.302,1116 52.317,1117 52.146,1118 67.289,1119 8.692,1120 155.619,1121 49.986,1122 5.704,1123 6.358,1124 6.951,1125 5.394,1126 5.39,1127 7.459,1128 4.874,1129 20.336,1130 5.294,1131 16.353,1132 1.548,1133 1.61,1134 1.609,1135 1.495,1136 1.49,1137 1.923,1138 0.248,1139 4.446,1140 1.428,1141 4.097,1142 4.134,1143 6.88,1144 3.992,1145 7.429,1146 4.001,1147 3.897,1148 3.949,1149 4.051,1150 3.811,1151 6.817,1152 3.797,1153 3.855,1154 3.877,1155 3.802,1156 3.784,1157 4.974,1158 3.78,1159 3.724,1160 3.756,1161 3.751,1162 3.611,1163 4.815,1164 3.62,1165 3.384,1166 3.447,1167 3.625,1168 3.189,1169 4.626,1170 3.203,1171 3.238,1172 3.303,1173 3.282,1174 2.983,1175 4.325,1176 3.003,1177 3.111,1178 3.206,1179 3.119,1180 2.941,1181 4.278,1182 2.91,1183 3.109,1184 3.177,1185 3.002,1186 2.9,1187 3.846,1188 2.884,1189 0.134,1190 0.125,1191 0.206,1192 0.125,1193 0.097,1194 4.704,1195 0.127,1196 4.358,1197 0.07,1198 7.219,1199 0.363,1200 4.362,1201 0.094,1202 3.39,1203 4.459,1204 2.437,1205 12.71,1206 3.294,1207 1.943,1208 1.921,1209 2.087,1210 2.04,1211 1.462,1212 2.056,1213 1.892,1214 1.846,1215 2.023,1216 2.035,1217 1.164,1218 2.034,1219 1.857,1220 1.831,1221 1.948,1222 1.939,1223 1.056,1224 1.949,1225 1.595,1226 1.565,1227 1.76,1228 1.754,1229 0.879,1230 1.749,1231 1.351,1232 1.296,1233 1.57,1234 1.595,1235 0.825,1236 1.584,1237 1.242,1238 1.182,1239 1.534,1240 1.496,1241 0.77,1242 1.516,1243 1.153,1244 1.071,1245 1.513,1246 1.437,1247 0.576,1248 1.429,1249 1.152,1250 1.064,1251 1.316,1252 1.376,1253 0.384,1254 1.419,1255 4.263,1257 5.602,1258 2.398,1259 7.152,1260 4.844,1261 8.791,1262 7.05,1263 10.474,1264 3.608,1265 3.527,1271 4.316,1272 3.008,1273 5.296,1277 -0.82,1278 9.8,1279 2.356,1280 37.335,1281 90.282,1282 208.865,1283 252.991,1284 285.455,1285 292.965,1286 292.965,1287 67.347,1288 7.611,1289 79.94,1290 79.94,1291 23,1292 12.876,1293 4.322,1294 3.644,1295 51.373,1296 122,1297 140,1298 0.207,1299 235.888,1300 410.74,1301 567.326,1302 18391,1303 1.8,1304 22.717,1305 0.71,1306 0.618,1307 23.717,1308 19.776,1309 15.476,1310 0.442,1311 0.329,1312 10.639,1313 14.47,1314 10.286,1315 8.551,1316 16.054,1317 11.499,1318 13.71,1319 0.274,1320 0.18,1321 14.452,1322 8.977,1323 12.212,1324 0.177,1325 0.097,1326 12.929,1327 6.726,1328 10.152,1329 0.112,1330 0.052,1331 10.77,1332 4.747,1333 7.992,1334 0.069,1335 0.028,1336 8.461,1337 3.229,1338 0.316,1339 104.602,1340 0.208,1341 29.297,1342 0.6,1343 170,1344 473.394,1345 248.846,1346 500.45,1347 676.69,1348 466,1349 204,1350 477.448,1351 253.39,1352 498.6,1353 730.85,1354 468,1355 5} {0 CHEMBL17828,1 1.427,2 20.767,3 4.862,4 23.635,5 173.876,6 6.81,7 0.417,8 4.522,9 4.662,10 4.007,11 4.078,12 5.54,13 4.035,14 5.087,15 5.27,16 4.372,17 4.524,18 6.081,19 4.444,20 5.413,21 5.653,22 4.421,23 4.683,24 6.306,25 4.564,26 5.473,27 5.725,28 4.35,29 4.688,30 6.332,31 4.546,32 5.487,33 5.767,34 4.27,35 4.643,36 6.249,37 4.481,38 5.432,39 5.708,40 4.242,41 4.573,42 6.267,43 4.414,44 5.377,45 5.656,46 4.084,47 4.485,48 6.183,49 4.313,50 5.315,51 5.601,52 3.98,53 4.373,54 6.123,55 4.202,56 0.108,57 1.269,58 19.433,59 7.815,60 15.448,61 11.063,62 0.28,63 2.082,64 35.221,65 14.179,66 45.985,67 20.267,68 0.378,69 2.638,70 50.809,71 19.033,72 61.133,73 27.719,74 0.423,75 2.734,76 54.371,77 20.074,78 65.573,79 29.438,80 0.395,81 2.673,82 55.718,83 20.742,84 54.291,85 30.689,86 0.537,87 2.546,88 52.902,89 19.339,90 63.733,91 28.639,92 0.459,93 2.368,94 50.322,95 18.018,96 64.919,97 26.66,98 0.436,99 2.18,100 47.792,101 16.272,102 63.715,103 24.361,104 21,105 67,106 0.213,107 0.545,108 0.709,109 0.767,110 0.767,111 0.767,112 3.787,113 0.977,114 -3.98,115 -3.93,116 -3.73,119 41.2,121 9,125 2,127 2,134 2,135 2,140 6,141 6,149 2,150 2,156 2,161 2,162 2,163 2,169 22,172 2,173 2,174 2,176 14,178 25,180 2,182 4,186 16,189 22,191 4,193 4,197 14,199 18,201 4,203 2,208 8,211 22,213 2,215 2,218 2,219 3,220 4,221 2,222 22,224 2,226 4,230 2,231 6,233 12,235 4,237 4,242 12,244 6,246 4,254 8,256 6,259 4198,260 29.43,261 29.43,262 29.43,263 29.43,264 29.43,265 26.439,266 26.788,267 17.392,268 29.63,269 23.703,270 23.703,271 23.703,272 23.703,273 23.703,274 19.059,275 31.703,276 8.275,277 24.022,278 4.982,279 2.757,280 1.656,281 1.271,282 1.271,283 1.271,284 4.502,290 1986,291 4.359,294 244.02,295 616.015,298 448.162,302 3.236,303 34.474,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.33,313 0.4,314 91,315 893,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.618,326 3.509,327 6.724,328 4.172,329 3.181,330 4.552,331 0.98,332 10.962,333 3.154,334 4.056,335 3.201,336 5.943,337 3.719,338 2.715,339 3.498,340 0.4,341 8.308,342 2.724,343 4.056,344 3.201,345 5.943,346 3.719,347 2.715,348 3.498,349 0.4,350 8.308,351 2.724,352 3.822,353 2.779,354 5.687,355 3.517,356 2.532,357 3.182,359 7.524,360 2.488,361 3.822,362 2.777,363 5.687,364 3.514,365 2.529,366 3.182,368 7.524,369 2.486,370 3.413,371 2.438,372 5.309,373 3.214,374 2.237,375 2.508,377 6.787,378 2.181,379 3.406,380 2.43,381 5.308,382 3.205,383 2.229,384 2.504,386 6.786,387 2.173,388 3.017,389 1.917,390 4.587,391 2.785,392 1.794,393 2.165,395 4.463,396 1.777,397 3.005,398 1.905,399 4.586,400 2.536,401 1.552,402 2.155,404 4.459,405 1.526,406 2.888,407 1.833,408 4.049,409 2.5,410 1.51,411 1.972,413 3.634,414 1.493,415 2.886,416 1.663,417 4.046,418 2.363,419 1.37,420 1.967,422 3.366,423 1.35,424 2.767,425 1.593,426 3.829,427 2.357,428 1.359,429 1.77,431 3.331,432 1.345,433 2.569,434 1.438,435 3.75,436 2.24,437 1.259,438 1.555,440 2.769,441 1.231,442 2.559,443 1.351,444 3.745,445 2.052,446 1.062,447 1.537,449 2.689,450 1.047,451 20.567,452 0.478,453 0.972,454 0.023,455 49,456 1.14,457 22,458 0.512,459 27,460 0.628,461 46.352,462 1.078,463 46.633,464 0.549,465 38.126,466 0.887,467 9.136,468 0.212,469 11.822,470 0.275,471 0.071,473 0.34,479 0.898,480 1.132,481 0.91,482 0.977,483 0.711,484 0.938,485 0.651,486 1.161,487 0.95,488 1.101,489 0.421,490 1.062,491 0.89,492 1.049,493 0.974,494 1.022,495 0.697,496 1.008,497 0.899,498 1.063,499 1.057,500 1.083,501 0.784,502 1.085,503 0.674,504 0.998,505 0.913,506 1.01,507 0.588,508 0.99,509 0.592,510 0.989,511 0.927,512 1.043,513 0.506,514 1.024,515 0.861,516 1.015,517 1.031,518 1.067,519 0.824,520 1.068,521 1.063,522 1.047,523 1.03,524 1.029,525 1.097,526 1.027,527 7.5,528 0.189,529 5.111,530 2.139,531 1.921,532 1.41,533 0.999,534 0.516,535 0.292,536 0.294,537 45194,538 104078,539 2.14,540 49.4,541 6,542 14,543 2,545 8,547 12,550 1.804,551 2.031,552 4.276,553 4.429,559 121.286,560 1.427,561 3.652,562 4.754,563 5.139,564 5.139,565 5.139,566 3.67,567 4.17,568 5.404,569 4.535,570 4095.01,571 9.48,572 87977,577 544.798,578 1.301,579 5.371,580 0.156,581 0.006,582 0.076,583 0.031,584 0.031,585 0.025,586 0.019,587 0.012,588 0.007,589 0.009,590 0.373,591 0.17,592 0.5,593 0.651,594 260.24,595 -0.104,596 0.11,597 0.028,598 0.115,599 -0.063,600 0.094,601 0.082,602 -0.026,603 -0.01,604 -0.027,605 0.168,606 -0.028,607 -0.055,608 -0.025,609 -0.008,610 -0.001,611 0.042,612 0.001,613 -0.075,614 -0.06,615 -0.089,616 -0.075,617 -0.03,618 -0.081,619 0.022,620 -0.052,621 0.051,622 -0.007,623 0.022,624 0.021,625 0.174,626 -0.026,627 0.045,628 -0.054,629 0.137,630 -0.025,631 0.002,632 -0.064,633 -0.05,634 -0.086,635 -0.011,636 -0.077,637 -0.06,638 -0.113,639 -0.032,640 -0.067,641 -0.085,642 -0.05,643 2.058,644 4.629,645 0.698,646 67.357,647 0.99,648 1.128,649 2.75,650 7.561,651 0.655,652 3.892,653 4.22,654 4.511,655 4.771,656 5.017,657 5.159,658 5.293,659 5.375,660 5.425,661 5.485,662 12.357,663 0.612,664 578.83,665 3.892,666 5.442,667 6.301,668 7.179,669 8.056,670 8.942,671 9.828,672 10.719,673 11.611,674 12.505,675 7.1,677 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,701 2,714 85,716 24,717 2,718 48,720 90,721 35,722 16,723 6,724 6,725 6,730 6,731 8,740 8,743 11,745 22,746 13,750 4,755 2,757 2,759 4,764 42,765 6,766 8,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,810 2,811 2,814 2,819 4,827 43,828 2,833 11,834 2,837 2,847 2.4,850 2,854 21.167,855 14.5,856 9.389,857 5.431,858 4.833,859 1.517,860 1.023,861 9.247,862 14.173,863 4.143,864 4.741,865 5.358,866 5.97,867 6.512,868 6.948,869 7.357,870 7.681,871 7.802,872 8.034,873 1,874 68,875 15.965,877 6.894,878 7.62,879 31.365,881 26.983,883 2.12,884 91.167,888 400.217,889 158.884,890 135.387,892 50.29,895 158.884,896 450.507,897 135.387,899 92.817,900 129.926,901 59.699,902 57.83,903 27.83,904 376.675,906 400.217,907 294.271,908 50.29,911 258.964,912 191.543,915 162.409,916 112.909,917 18.952,919 400.217,920 185.677,921 158.884,924 400.217,925 64.979,926 93.905,927 69.593,928 116.084,929 400.217,930 185.677,931 158.884,933 0.582,934 0.338,935 0.177,936 0.099,937 32,938 14,939 0.133,940 12,941 2,942 1.133,943 5.561,944 417.438,945 0.133,946 30,947 187.329,951 29.585,952 13.439,953 6.863,954 4.211,955 152.106,956 15.322,958 6.66,961 3.47,963 135.387,964 744.778,965 62,970 23.258,972 4.705,974 1.912,975 84.17,976 95.882,977 0.223,978 0.57,979 0.742,980 0.802,981 0.802,982 0.802,983 5.394,984 2.229,985 6.279,986 6.787,987 4.905,988 5.429,989 1.701,990 7.088,991 4.881,992 6.594,993 1.794,994 7.836,995 6.786,996 4.443,997 5.278,999 7.995,1000 4.426,1001 7.905,1002 1.552,1003 9.494,1004 4.463,1005 6.497,1006 7.658,1007 1.566,1008 11.096,1009 6.455,1010 9.254,1011 1.51,1012 11.213,1013 4.459,1014 6.889,1015 8.414,1017 12.865,1018 6.853,1019 10.641,1020 1.37,1021 12.973,1022 3.634,1023 8.381,1024 10.255,1025 1.516,1026 15.479,1027 8.328,1028 12.054,1029 1.359,1030 14.76,1031 3.366,1032 9.164,1033 11.424,1035 17.601,1036 9.113,1037 13.487,1038 1.259,1039 16.567,1040 3.331,1041 10.434,1042 13.06,1043 1.482,1044 20.06,1045 10.37,1046 3.181,1047 1.062,1048 18.39,1049 2.769,1050 11.404,1051 14.419,1053 22.336,1054 11.338,1055 3.181,1056 10.962,1057 20.225,1058 2.689,1059 12.586,1060 15.976,1061 1.45,1062 24.746,1063 12.51,1064 2.715,1065 10.962,1066 22.069,1067 4.552,1068 13.646,1069 17.42,1071 27.087,1072 13.564,1073 2.715,1074 8.308,1075 23.922,1076 4.552,1077 14.797,1078 18.948,1079 1.419,1080 29.482,1081 14.706,1082 2.532,1083 8.308,1084 25.782,1085 3.498,1086 15.9,1087 20.43,1089 31.852,1090 15.802,1091 2.529,1092 7.524,1093 27.647,1094 3.498,1095 17.043,1096 21.948,1097 1.388,1098 34.245,1099 16.936,1100 2.237,1101 7.524,1102 29.518,1103 3.182,1104 18.168,1105 23.448,1107 36.628,1108 18.053,1109 41244,1110 62834,1111 32.709,1112 55.648,1113 73.055,1114 73.927,1115 73.89,1116 72.113,1117 72.184,1118 92.514,1119 5.519,1120 206.607,1121 71.263,1122 5.599,1123 5.509,1124 6.587,1125 5.208,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 19.85,1132 1.522,1133 1.54,1134 1.539,1135 1.502,1136 1.504,1137 1.927,1138 0.115,1139 4.304,1140 1.485,1141 4.173,1142 4.204,1143 4.131,1144 4.096,1145 7.439,1146 4.101,1147 4.127,1148 4.157,1149 4.091,1150 4.054,1151 7.435,1152 4.059,1153 3.872,1154 3.93,1155 3.761,1156 3.758,1157 4.998,1158 3.752,1159 3.839,1160 3.891,1161 3.736,1162 3.737,1163 4.963,1164 3.73,1165 3.694,1166 3.753,1167 3.561,1168 3.572,1169 4.863,1170 3.557,1171 3.558,1172 3.603,1173 3.496,1174 3.385,1175 4.863,1176 3.402,1177 3.543,1178 3.589,1179 3.462,1180 3.367,1181 4.468,1182 3.384,1183 3.393,1184 3.475,1185 3.246,1186 3.19,1187 4.435,1188 3.192,1189 0.096,1190 0.073,1191 0.14,1192 0.087,1193 0.066,1194 4.618,1195 0.095,1196 3.509,1197 0.02,1198 6.724,1199 0.228,1200 4.172,1201 0.066,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.978,1208 1.958,1209 2.097,1210 2.064,1211 1.425,1212 2.076,1213 1.977,1214 1.957,1215 2.088,1216 2.057,1217 1.411,1218 2.068,1219 1.869,1220 1.825,1221 2.012,1222 2.008,1223 1.314,1224 2.012,1225 1.859,1226 1.817,1227 1.996,1228 1.995,1229 1.16,1230 1.999,1231 1.72,1232 1.657,1233 1.955,1234 1.881,1235 1.156,1236 1.91,1237 1.502,1238 1.441,1239 1.703,1240 1.716,1241 0.96,1242 1.712,1243 1.457,1244 1.398,1245 1.622,1246 1.677,1247 0.779,1248 1.663,1249 1.35,1250 1.278,1251 1.588,1252 1.614,1253 0.746,1254 1.607,1255 4.575,1257 5.9,1258 3.045,1259 7.413,1260 5.416,1261 9.012,1262 7.535,1263 10.661,1269 10.989,1271 12.073,1272 7.519,1275 1.048,1280 52.04,1281 121.286,1282 310.42,1283 404.069,1284 436.798,1285 436.798,1286 436.798,1287 79.448,1288 9.341,1289 141.82,1290 141.82,1291 34,1292 13.032,1293 4.644,1294 3.907,1295 64.871,1296 334,1297 238,1298 0.091,1299 315.772,1300 548.2,1301 762.243,1302 239920,1304 29.761,1305 0.692,1306 0.574,1307 29.761,1308 24.678,1309 20.958,1310 0.437,1311 0.326,1312 15.509,1313 20.461,1314 15.22,1315 12.565,1316 20.958,1317 15.635,1318 18.871,1319 0.282,1320 0.179,1321 18.871,1322 12.024,1323 16.123,1324 0.179,1325 0.102,1326 16.123,1327 9.166,1328 13.199,1329 0.113,1330 0.057,1331 13.199,1332 6.647,1333 10.796,1334 0.072,1335 0.032,1336 10.796,1337 4.835,1338 0.156,1339 129.294,1340 0.175,1341 39.888,1342 0.221,1343 230,1344 533.427,1345 243.365,1346 531.459,1347 737.64,1348 498,1349 272,1350 549.723,1351 284.315,1352 562.979,1353 825.04,1354 534,1355 8.475} {0 CHEMBL1788196,1 1.402,2 6.389,3 2.837,4 8.05,5 74.613,6 6.732,7 0.5,8 3.669,9 3.801,10 3.165,11 3.23,12 4.676,13 3.186,14 4.246,15 4.446,16 3.526,17 3.672,18 5.119,19 3.603,20 4.491,21 4.697,22 3.607,23 3.867,24 5.35,25 3.756,26 4.677,27 4.931,28 3.53,29 3.892,30 5.512,31 3.736,32 4.638,33 4.93,34 3.309,35 3.723,36 5.403,37 3.54,38 4.374,39 4.656,40 3.119,41 3.419,42 5.262,43 3.269,44 4.076,45 4.333,46 2.748,47 3.135,48 5.075,49 2.975,50 3.868,51 4.168,52 1.909,53 2.729,54 4.804,55 2.458,56 0.032,57 0.524,58 8.223,59 3.408,60 7.313,61 4.804,62 0.128,63 0.88,64 15.439,65 5.741,66 12.361,67 8.324,68 0.106,69 1.086,70 19.587,71 7.982,72 14.958,73 11.405,74 0.207,75 1.202,76 24.384,77 9.521,78 25.797,79 13.762,80 0.161,81 1.09,82 23.851,83 8.979,84 25.569,85 13.178,86 0.201,87 0.84,88 18.627,89 6.3,90 27.69,91 9.238,92 0.217,93 0.621,94 13.851,95 4.457,96 25.9,97 6.509,98 0.128,99 0.464,100 11.313,101 3.654,102 24.059,103 5.421,104 14,105 29,106 0.257,107 0.621,108 0.797,109 0.827,110 0.827,111 0.827,112 2.963,113 0.966,114 -3.51,115 -3.49,116 -3.33,119 41.7,121 3,124 2,127 1,140 2,141 4,149 1,150 1,153 1,169 8,172 3,176 3,178 11,182 3,186 2,189 11,193 3,195 1,197 2,199 5,203 5,208 1,211 1,215 3,218 1,220 1,225 1,226 1,259 334,260 12.232,261 12.232,262 12.232,263 12.232,264 12.232,265 11.029,266 11.039,267 6.976,268 12.377,269 9.787,270 9.787,271 9.787,272 9.787,273 9.787,274 7.826,275 12.112,276 3.181,277 10,278 3.768,279 1.781,280 0.82,281 0.653,282 0.653,283 0.653,284 3.638,287 1,288 1,289 1,290 245,291 2.646,294 28.521,295 62.199,298 48.695,299 53.182,302 0.944,303 11.38,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38,315 115,316 4.687,317 3.402,318 6.918,319 4.256,320 3.264,321 4.646,322 0.8,323 11.656,324 3.24,325 3.943,326 3.021,327 6.022,328 3.715,329 2.751,330 3.364,332 8.577,333 2.659,334 3.597,335 2.807,336 5.738,337 3.373,338 2.4,339 2.819,341 7.569,342 2.328,343 3.408,344 2.488,345 5.111,346 2.959,347 1.972,348 2.617,350 5.891,351 1.942,352 2.955,353 1.952,354 4.637,355 2.611,356 1.609,357 2.093,359 4.592,360 1.61,361 2.439,362 1.603,363 3.836,364 2.22,365 1.267,366 1.385,368 2.975,369 1.204,370 2.274,371 1.428,372 3.68,373 1.83,374 0.858,375 1.187,377 2.165,378 0.824,379 2.065,380 0.915,381 3.291,382 1.791,383 0.791,384 0.915,386 1.821,387 0.791,388 1.914,389 0.764,390 2.729,391 1.397,392 0.318,393 0.511,395 0.495,396 0.34,397 0.887,398 -0.181,399 2.534,400 0.614,401 -0.371,402 -0.434,404 -0.96,405 -0.365,406 0.77,407 -0.378,408 2.324,409 0.4,410 -0.607,411 -0.754,413 -1.501,414 -0.61,415 0.252,416 -0.6,417 2.164,418 -0.001,419 -1,420 -1,422 -2,423 -0.9,424 0.114,425 -0.877,426 2,427 -0.1,428 -1,429 -1.31,431 -3.067,432 -0.996,434 -1.023,435 1.812,436 -0.236,437 -1.224,438 -1.535,440 -3.383,441 -1.198,442 -0.169,443 -1.326,444 1.352,445 -0.495,446 -1.478,447 -1.799,449 -4.244,450 -1.444,451 8.633,452 0.48,453 0.469,454 0.026,455 21,456 1.167,457 9.5,458 0.528,459 11.5,460 0.639,461 14.637,462 0.813,463 19.567,464 0.544,465 13.071,466 0.726,467 4.097,468 0.228,469 4.606,470 0.256,471 0.154,473 0.394,479 0.729,480 1.325,481 0.869,482 1.097,483 0.5,484 1.008,485 0.991,486 0.889,487 0.904,488 0.791,489 0.587,490 0.816,491 0.663,492 1.152,493 1.028,494 1.152,495 0.452,496 1.128,497 0.642,498 1.058,499 0.993,500 1.107,501 0.655,502 1.092,503 0.649,504 1.012,505 0.862,506 1.015,507 0.683,508 0.972,509 1.19,510 0.979,511 0.964,512 0.961,513 1.295,514 0.945,515 1.626,516 1.025,517 1.31,518 1.076,519 1.817,520 1.149,521 1.502,522 1.087,523 1.411,524 1.253,525 1.566,526 1.308,527 3.5,529 2.444,530 1.285,531 1.143,532 0.611,533 0.397,534 0.227,537 2439,538 5460,539 2.086,540 50,541 2,542 9,543 1,544 1,545 1,547 4,550 1.594,551 1.929,552 2.733,553 -0.334,555 1,557 1,559 50.455,560 1.402,561 3.389,562 4.35,563 4.517,564 4.517,565 4.517,566 2.135,567 3.837,568 4.143,569 2.797,570 427.984,571 7.068,572 3915.5,573 1,574 1,576 1,577 186.117,578 1.481,579 4.09,580 0.175,582 0.084,583 0.043,584 0.044,585 0.031,586 0.025,587 0.023,590 0.424,591 1,592 1,593 1.015,594 73.826,595 -0.009,596 -0.123,597 0.06,598 -0.014,599 0.028,600 0.022,601 -0.136,602 0.247,603 0.055,604 0.22,605 -0.019,606 0.172,607 -0.041,608 -0.086,609 -0.103,610 -0.114,611 0.028,612 -0.113,613 0.083,614 -0.091,615 -0.05,616 -0.108,617 0.043,618 -0.096,619 0.075,620 -0.118,621 0.092,622 -0.045,623 0.045,624 0.014,625 0.016,626 -0.052,627 0.039,628 -0.035,629 -0.04,630 -0.004,631 -0.103,632 -0.058,633 -0.288,634 -0.162,635 -0.166,636 -0.234,637 -0.208,638 -0.203,639 -0.407,640 -0.363,641 -0.14,642 -0.395,643 1.043,644 4.152,645 0.722,646 9.556,647 0.989,648 1.126,649 2.284,650 5.219,651 0.654,652 3.045,653 3.401,654 3.738,655 4.043,656 4.304,657 4.431,658 4.533,659 4.595,660 4.585,661 4.419,662 4.055,663 0.61,664 242.35,665 3.045,666 4.595,667 5.476,668 6.382,669 7.287,670 8.199,671 9.111,672 10.026,673 10.941,674 11.857,675 5.6,678 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 36,716 11,717 1,718 20,720 38,721 15,722 8,723 4,724 2,725 1,730 3,731 6,740 4,743 4,745 9,746 6,750 1,755 1,757 1,761 1,764 18,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 18,833 3,837 1,838 1,847 2.8,850 1,854 9.333,855 7.033,856 3.972,857 2.196,858 2.253,859 1.334,860 0.997,861 2.807,862 8.994,863 3.296,864 3.917,865 4.594,866 5.249,867 5.788,868 6.179,869 6.539,870 6.916,871 6.973,872 7.028,873 1,874 30,875 6.664,877 2.835,878 7.593,879 13.149,881 11.253,883 2.093,884 37.667,885 0.003,888 200.109,889 78.094,890 19.91,892 25.145,895 78.094,896 225.254,897 19.91,898 16.793,899 7.604,900 28,901 48.34,902 32.04,903 13.915,904 176.567,906 200.109,907 98.004,908 25.145,911 153.024,912 72.229,915 27.513,916 59.066,917 11.424,919 200.109,920 45.055,921 78.094,924 200.109,925 21.877,926 59.341,927 16.786,928 25.145,929 200.109,930 45.055,931 78.094,933 0.588,934 0.361,935 0.198,936 0.112,937 16,938 7,939 0.053,940 2,941 2,942 1.308,943 2.946,944 137.732,945 0.308,946 13,947 73.059,951 11.638,952 4.342,953 1.836,954 2.212,955 28.269,956 6.114,958 3.188,961 3.561,963 16.786,964 323.258,965 26,970 11.152,972 0.957,975 35.6,976 40.528,977 0.271,978 0.656,979 0.841,980 0.874,981 0.874,982 0.874,983 4.549,984 0.791,985 5.485,986 2.165,987 4.078,988 4.6,989 0.673,990 6.358,991 4.041,992 5.764,993 0.318,994 7.084,995 1.821,996 3.761,997 4.543,998 0.325,999 7.398,1000 3.693,1001 7.09,1002 -0.371,1003 8.785,1004 0.495,1005 5.727,1006 6.892,1007 0.379,1008 10.524,1009 5.66,1010 8.458,1011 -0.607,1012 10.544,1013 -0.96,1014 6.236,1015 7.731,1016 0.268,1017 12.402,1018 6.147,1019 9.864,1020 -1,1021 12.34,1022 -1.501,1023 7.688,1024 9.564,1025 0.239,1026 15.064,1027 7.599,1028 11.298,1029 -1,1030 14.163,1031 -2,1032 8.564,1033 10.801,1034 0.188,1035 17.285,1036 8.46,1037 12.753,1038 -1.224,1039 16.005,1040 -3.067,1041 9.826,1042 12.445,1043 0.156,1044 19.801,1045 9.721,1046 3.264,1047 -1.478,1048 17.862,1049 -3.383,1050 10.865,1051 13.857,1052 0.125,1053 22.161,1054 10.752,1055 2.751,1056 11.656,1057 19.731,1058 -4.244,1059 12.061,1060 15.432,1061 0.102,1062 24.632,1063 11.945,1064 2.4,1065 8.577,1066 21.609,1067 4.646,1068 13.173,1069 16.916,1070 0.082,1071 27.048,1072 13.052,1073 1.972,1074 7.569,1075 23.496,1076 3.364,1077 14.348,1078 18.466,1079 0.066,1080 29.506,1081 14.224,1082 1.609,1083 5.891,1084 25.389,1085 2.819,1086 15.493,1087 19.98,1088 0.054,1089 31.945,1090 15.365,1091 1.267,1092 4.592,1093 27.289,1094 2.617,1095 16.664,1096 21.52,1097 0.043,1098 34.399,1099 16.532,1100 0.858,1101 2.975,1102 29.193,1103 2.093,1104 17.825,1105 23.047,1106 0.035,1107 36.848,1108 17.69,1109 2454,1110 3745,1111 13.235,1112 23.557,1113 31.163,1114 32.296,1115 32.067,1116 30.574,1117 30.458,1118 39.076,1119 1.6,1120 91.485,1121 29.875,1122 5.632,1123 5.402,1124 6.462,1125 5.256,1126 5.264,1127 7.646,1128 1.2,1129 18.934,1130 5.24,1131 8.656,1132 1.558,1133 1.615,1134 1.603,1135 1.529,1136 1.523,1137 1.954,1138 0.08,1139 4.574,1140 1.494,1141 4.163,1142 4.192,1143 4.124,1144 4.091,1145 7.452,1146 4.095,1147 3.775,1148 3.839,1149 3.669,1150 3.628,1151 4.934,1152 3.63,1153 3.485,1154 3.555,1155 3.368,1156 3.317,1157 4.397,1158 3.321,1159 3.272,1160 3.324,1161 3.138,1162 3.087,1163 4.217,1164 3.082,1165 3.054,1166 3.125,1167 2.905,1168 2.884,1169 3.861,1170 2.865,1171 3.034,1172 3.103,1173 2.845,1174 2.776,1175 3.556,1176 2.801,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.674,1184 2.743,1185 2.499,1186 2.5,1187 3.323,1188 2.495,1189 0.234,1190 0.17,1191 0.346,1192 0.213,1193 0.163,1194 4.687,1195 0.232,1196 3.402,1197 0.04,1198 6.918,1199 0.583,1200 4.256,1201 0.162,1202 3.264,1203 4.646,1204 0.8,1205 11.656,1206 3.24,1207 2.03,1208 2.007,1209 2.136,1210 2.111,1211 1.465,1212 2.121,1213 1.646,1214 1.586,1215 1.84,1216 1.848,1217 1.043,1218 1.85,1219 1.553,1220 1.515,1221 1.686,1222 1.748,1223 0.841,1224 1.733,1225 1.361,1226 1.275,1227 1.655,1228 1.587,1229 0.723,1230 1.613,1231 1.1,1232 1.022,1233 1.421,1234 1.306,1235 0.637,1236 1.349,1237 0.954,1238 0.889,1239 1.417,1240 1.241,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.211,1246 1.239,1247 0.328,1248 1.235,1249 0.645,1250 0.565,1251 1.004,1252 0.866,1253 0.14,1254 0.919,1255 3.714,1257 5.056,1258 2.398,1259 6.611,1260 4.727,1261 8.265,1262 6.843,1263 9.974,1265 4.265,1271 3.35,1275 0.581,1276 2.287,1280 21.972,1281 50.455,1282 122.012,1283 156.608,1284 162.608,1285 162.608,1286 162.608,1287 23.074,1288 6.742,1289 36.1,1290 36.1,1291 17,1292 12.368,1293 3.585,1294 2.807,1295 25.505,1296 43,1297 41,1298 0.307,1299 135.423,1300 226.77,1301 322.193,1302 6256,1304 12.698,1305 0.705,1306 0.604,1307 12.698,1308 10.864,1309 8.703,1310 0.435,1311 0.322,1312 6.366,1313 8.438,1314 6.127,1315 5.102,1316 8.703,1317 6.439,1318 7.902,1319 0.272,1320 0.184,1321 7.902,1322 5.348,1323 6.955,1324 0.17,1325 0.101,1326 6.955,1327 4.126,1328 5.876,1329 0.105,1330 0.054,1331 5.876,1332 3.03,1333 4.885,1334 0.067,1335 0.031,1336 4.885,1337 2.227,1338 0.449,1339 54.121,1340 0.275,1341 17.385,1342 0.947,1343 98,1344 233.714,1345 102.908,1346 229.973,1347 316.92,1348 216,1349 119,1350 230.46,1351 124.492,1352 240.267,1353 350.71,1354 224,1355 7.721} {0 CHEMBL1788197,1 1.284,2 10.929,3 6.071,4 36.853,5 117.854,6 6.458,7 0.516,8 4.12,9 4.252,10 3.575,11 3.71,12 5.071,13 3.647,14 4.701,15 4.895,16 3.903,17 4.134,18 5.536,19 4.036,20 5.004,21 5.248,22 3.983,23 4.303,24 5.76,25 4.169,26 5.107,27 5.36,28 3.957,29 4.35,30 5.858,31 4.191,32 5.178,33 5.452,34 3.886,35 4.351,36 5.868,37 4.164,38 5.201,39 5.499,40 3.837,41 4.292,42 5.896,43 4.101,44 5.087,45 5.376,46 3.776,47 4.23,48 5.815,49 4.049,50 4.974,51 5.233,52 3.724,53 4.204,54 5.743,55 4.025,56 0.061,57 0.798,58 13.529,59 5.818,60 9.98,61 8.195,62 0.153,63 1.365,64 24.698,65 9.925,66 16.652,67 14.271,68 0.213,69 1.762,70 33.66,71 13.302,72 24.679,73 19.344,74 0.298,75 1.902,76 37.48,77 14.835,78 31.14,79 21.46,80 0.229,81 1.976,82 40.044,83 16.344,84 29.897,85 23.552,86 0.324,87 1.984,88 41.524,89 15.973,90 38.317,91 23.221,92 0.334,93 1.775,94 37.027,95 14.371,96 36.856,97 20.803,98 0.202,99 1.623,100 32.59,101 13.507,102 27.909,103 19.271,104 10,105 42,106 0.209,107 0.531,108 0.739,109 0.837,110 0.875,111 0.875,112 3.375,113 1.03,114 -5.54,115 -5.41,116 -5.05,119 43.1,120 1,121 6,125 2,127 1,140 7,141 5,149 1,150 1,153 1,169 17,172 5,176 3,178 20,182 5,186 2,189 18,193 4,195 1,197 2,199 13,203 7,208 1,211 12,215 5,218 1,220 1,222 12,225 1,226 2,233 17,242 2,244 20,249 2,254 2,256 17,259 1294,260 19.654,261 19.654,262 19.654,263 19.654,264 19.654,265 17.7,266 17.839,267 11.855,268 19.8,269 15.239,270 15.239,271 15.239,272 15.239,273 15.239,274 12.235,275 19.036,276 5.458,277 15.48,278 4.574,279 2.601,280 1.326,281 0.729,282 0.496,283 0.496,284 4.077,289 1,290 670,291 3.536,294 58.54,295 219.042,298 99.455,299 104.58,302 1.724,303 14.876,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 58,315 306,316 4.687,317 3.408,318 6.919,319 4.258,320 3.266,321 4.646,322 0.8,323 11.66,324 3.241,325 3.965,326 3.088,327 6.165,328 3.782,329 2.83,330 3.444,332 9.134,333 2.703,334 3.896,335 2.87,336 5.828,337 3.522,338 2.524,339 3.365,341 7.947,342 2.521,343 3.694,344 2.711,345 5.339,346 3.432,347 2.452,348 2.836,350 6.964,351 2.394,352 3.418,353 2.504,354 5.112,355 2.97,356 1.981,357 2.726,359 5.898,360 1.954,361 2.963,362 1.979,363 4.648,364 2.661,365 1.672,366 2.113,368 4.684,369 1.654,370 2.942,371 1.721,372 4.414,373 2.597,374 1.598,375 2.094,377 4.255,378 1.594,379 2.666,380 1.61,381 3.703,382 2.503,383 1.514,384 1.676,386 3.213,387 1.495,388 2.5,389 1.59,390 3.673,391 2.192,392 1.2,393 1.5,395 2.396,396 1.189,397 2.398,398 1.251,399 3.35,400 2,401 1,402 1.275,404 2.165,405 1,406 2.278,407 1,408 3.313,409 1.884,410 0.89,411 1.266,413 2.136,414 0.879,415 2.067,416 0.915,417 3.247,418 1.805,419 0.836,420 0.957,422 1.916,423 0.808,424 1.984,425 0.864,426 2.966,427 1.669,428 0.673,429 0.738,431 1.293,432 0.668,433 1.741,434 0.702,435 2.735,436 1.394,437 0.317,438 0.504,440 0.497,441 0.339,442 1.046,443 0.087,444 2.589,445 0.87,446 -0.114,447 -0.125,449 -0.242,450 -0.112,451 13.633,452 0.487,453 0.462,454 0.016,455 32.5,456 1.161,457 15.5,458 0.554,459 17,460 0.607,461 27.818,462 0.993,463 30.167,464 0.52,465 21.378,466 0.764,467 6.002,468 0.214,469 7.794,470 0.278,471 0.061,473 0.286,479 0.744,480 1.226,481 0.93,482 1.079,483 0.52,484 1.024,485 0.959,486 1.124,487 1.026,488 1.032,489 0.624,490 1.027,491 0.82,492 1.042,493 0.979,494 0.996,495 0.462,496 0.991,497 0.861,498 1.061,499 1.064,500 1.071,501 0.69,502 1.076,503 0.685,504 1.124,505 0.992,506 1.111,507 0.651,508 1.081,509 0.93,510 0.938,511 0.915,512 0.927,513 0.901,514 0.92,515 1.003,516 0.839,517 0.944,518 0.867,519 1.035,520 0.896,521 0.843,522 1.045,523 1.084,524 1.107,525 0.906,526 1.113,527 4,528 0.129,529 2.889,530 1.472,531 1.214,532 0.757,533 0.66,534 0.365,535 0.21,536 0.199,537 10006,538 20384,539 2.137,540 51.7,541 7,542 12,543 1,544 1,545 1,547 8,550 1.712,551 2.049,552 3.4,553 -0.465,559 74.46,560 1.284,561 3.257,562 4.532,563 5.129,564 5.362,565 5.362,566 2.856,567 4.45,568 4.777,569 3.586,570 1355.32,571 8.32,572 17962.6,577 339.763,578 1.198,579 4.76,580 0.129,581 0.007,582 0.069,583 0.033,584 0.03,585 0.02,586 0.019,587 0.011,588 0.007,589 0.008,590 0.332,591 0.5,592 0.88,593 0.887,594 140.492,595 0.015,596 -0.053,597 0.059,598 0.013,599 0.054,600 0.034,601 -0.075,602 -0.01,603 -0.034,604 -0.004,605 -0.021,606 -0.014,607 -0.024,608 0.004,610 -0.002,611 0.048,612 0.003,613 0.03,614 -0.045,615 -0.084,616 -0.083,617 0.035,618 -0.09,619 0.045,620 -0.165,621 -0.03,622 -0.122,623 0.034,624 -0.088,625 0.053,626 0.008,627 0.067,628 0.026,629 0.012,630 0.043,631 0.019,632 0.119,633 0.04,634 0.096,635 -0.037,636 0.073,637 -0.06,638 -0.068,639 -0.119,640 -0.104,641 -0.081,642 -0.113,643 1.008,644 4.531,645 0.679,646 26.587,647 0.981,648 1.121,649 4.31,650 18.576,651 0.657,652 3.466,653 3.761,654 4.078,655 4.369,656 4.605,657 4.7,658 4.868,659 5.024,660 5.088,661 5.1,662 6.566,663 0.606,664 374.57,665 3.466,666 4.99,667 5.849,668 6.727,669 7.608,670 8.498,671 9.39,672 10.287,673 11.185,674 12.087,675 3.4,678 1,683 1,687 2,688 8,690 1,693 4,695 16,696 1,714 58,716 17,717 2,718 31,720 61,721 25,722 14,723 5,724 7,725 1,730 4,731 7,736 1,740 4,743 7,745 15,746 10,750 1,755 1,757 1,764 30,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 1,827 28,833 8,837 1,838 1,847 1.7,850 1,854 13.667,855 10.45,856 6.389,857 3.982,858 2.98,859 1.386,860 0.996,861 6.044,862 10.702,863 3.714,864 4.273,865 4.895,866 5.502,867 6.012,868 6.293,869 6.653,870 7.041,871 7.152,872 7.304,873 1,874 44,875 10.402,877 4.368,878 7.458,879 20.834,881 17.713,883 1.958,884 54.833,888 341.362,889 132.509,890 19.91,892 25.145,895 132.509,896 366.507,897 19.91,898 8.825,899 19.419,900 75.381,901 48.34,902 35.225,903 13.915,904 317.82,906 341.362,907 152.418,908 25.145,911 247.193,912 119.314,915 48.154,916 92.841,917 11.424,919 341.362,920 45.055,921 132.509,924 341.362,925 36.878,926 98.755,927 16.786,928 25.145,929 341.362,930 45.055,931 132.509,933 0.562,934 0.342,935 0.197,936 0.108,937 20,938 8,939 0.131,940 8,941 2,942 1.211,943 4.018,944 244.019,945 0.211,946 19,947 128.606,951 19.111,952 8.855,953 4.14,954 2.241,955 28.269,956 17.028,958 3.266,961 5.046,963 16.786,964 518.925,965 40,970 11.531,972 0.992,975 56.901,976 65.019,977 0.219,978 0.556,979 0.774,980 0.876,981 0.915,982 0.915,983 4.934,984 1.514,985 5.808,986 4.255,987 4.443,988 4.959,989 0.673,990 6.624,991 4.413,992 6.107,993 1.2,994 7.361,995 3.213,996 3.892,997 4.677,998 0.325,999 7.557,1000 3.832,1001 7.398,1002 1,1003 9.02,1004 2.396,1005 6.023,1006 7.161,1007 0.379,1008 10.696,1009 5.959,1010 8.732,1011 0.89,1012 10.747,1013 2.165,1014 6.382,1015 7.84,1016 0.268,1017 12.529,1018 6.292,1019 10.108,1020 0.836,1021 12.518,1022 2.136,1023 7.915,1024 9.742,1025 0.239,1026 15.18,1027 7.82,1028 11.514,1029 0.673,1030 14.321,1031 1.916,1032 8.701,1033 10.877,1034 0.188,1035 17.376,1036 8.588,1037 12.944,1038 0.317,1039 16.146,1040 1.293,1041 9.995,1042 12.552,1043 0.156,1044 19.88,1045 9.877,1046 3.266,1047 -0.114,1048 17.989,1049 0.497,1050 10.984,1051 13.906,1052 0.125,1053 22.225,1054 10.855,1055 2.83,1056 11.66,1057 19.846,1058 -0.242,1059 12.187,1060 15.491,1061 0.102,1062 24.686,1063 12.053,1064 2.524,1065 9.134,1066 21.714,1067 4.646,1068 13.272,1069 16.946,1070 0.082,1071 27.092,1072 13.13,1073 2.452,1074 7.947,1075 23.592,1076 3.444,1077 14.445,1078 18.498,1079 0.066,1080 29.543,1081 14.298,1082 1.981,1083 6.964,1084 25.478,1085 3.365,1086 15.574,1087 19.997,1088 0.054,1089 31.976,1090 15.422,1091 1.672,1092 5.898,1093 27.37,1094 2.836,1095 16.74,1096 21.538,1097 0.043,1098 34.426,1099 16.584,1100 1.598,1101 4.684,1102 29.267,1103 2.726,1104 17.891,1105 23.057,1106 0.035,1107 36.87,1108 17.731,1109 9482,1110 13665,1111 21.266,1112 38.125,1113 46.269,1114 47.333,1115 46.955,1116 45.614,1117 45.508,1118 58.282,1119 1.6,1120 128.317,1121 44.878,1122 5.633,1123 5.408,1124 6.721,1125 5.283,1126 5.266,1127 7.646,1128 1.2,1129 18.941,1130 5.241,1131 9.911,1132 1.493,1133 1.527,1134 1.515,1135 1.471,1136 1.468,1137 1.88,1138 0.052,1139 4.139,1140 1.448,1141 4.166,1142 4.196,1143 4.126,1144 4.094,1145 7.452,1146 4.098,1147 3.93,1148 3.969,1149 3.847,1150 3.866,1151 4.935,1152 3.857,1153 3.8,1154 3.858,1155 3.697,1156 3.655,1157 4.752,1158 3.657,1159 3.606,1160 3.669,1161 3.475,1162 3.47,1163 4.377,1164 3.462,1165 3.468,1166 3.545,1167 3.271,1168 3.331,1169 4.216,1170 3.306,1171 3.344,1172 3.386,1173 3.228,1174 3.222,1175 3.994,1176 3.214,1177 3.13,1178 3.192,1179 3.003,1180 2.921,1181 3.917,1182 2.92,1183 3.034,1184 3.12,1185 2.845,1186 2.866,1187 3.674,1188 2.853,1189 0.151,1190 0.11,1191 0.223,1192 0.137,1193 0.105,1194 4.687,1195 0.15,1196 3.408,1197 0.026,1198 6.919,1199 0.376,1200 4.258,1201 0.105,1202 3.266,1203 4.646,1204 0.8,1205 11.66,1206 3.241,1207 2.032,1208 2.009,1209 2.141,1210 2.117,1211 1.48,1212 2.127,1213 1.925,1214 1.894,1215 2.065,1216 2.012,1217 1.299,1218 2.032,1219 1.721,1220 1.66,1221 1.938,1222 1.898,1223 1.167,1224 1.912,1225 1.556,1226 1.515,1227 1.799,1228 1.767,1229 1.013,1230 1.763,1231 1.527,1232 1.464,1233 1.735,1234 1.699,1235 0.965,1236 1.727,1237 1.49,1238 1.423,1239 1.678,1240 1.651,1241 0.784,1242 1.674,1243 1.176,1244 1.103,1245 1.471,1246 1.39,1247 0.676,1248 1.421,1249 1.016,1250 0.937,1251 1.359,1252 1.245,1253 0.562,1254 1.288,1255 4.143,1257 5.442,1258 2.398,1259 6.954,1260 4.727,1261 8.567,1262 6.843,1263 10.238,1265 2.274,1271 9.191,1275 0.572,1276 2.692,1280 35.133,1281 74.46,1282 188.879,1283 262.827,1284 297.498,1285 311.008,1286 311.008,1287 41.516,1288 7.722,1289 36.1,1290 36.1,1291 23,1292 12.609,1293 4.17,1294 3.322,1295 42.376,1296 108,1297 120,1298 0.187,1299 215.171,1300 368.59,1301 516.777,1302 24526,1304 19.347,1305 0.691,1306 0.599,1307 19.347,1308 16.786,1309 13.796,1310 0.445,1311 0.343,1312 10.584,1313 13.546,1314 10.312,1315 8.569,1316 13.796,1317 10.648,1318 11.641,1319 0.277,1320 0.191,1321 11.641,1322 8.009,1323 10.251,1324 0.177,1325 0.106,1326 10.251,1327 6.176,1328 8.83,1329 0.113,1330 0.061,1331 8.83,1332 4.796,1333 7.231,1334 0.073,1335 0.036,1336 7.231,1337 3.536,1338 0.293,1339 84.514,1340 0.217,1341 26.74,1342 0.516,1343 146,1344 313.714,1345 151.575,1346 312.648,1347 437.79,1348 296,1349 173,1350 323.164,1351 179.158,1352 333.336,1353 488.02,1354 316,1355 9.046} {0 CHEMBL1788198,1 1.406,2 12.758,3 4.499,4 20.237,5 132.228,6 6.452,7 0.278,8 4.308,9 4.442,10 3.748,11 3.835,12 5.268,13 3.782,14 4.928,15 5.133,16 4.137,17 4.288,18 5.794,19 4.205,20 5.261,21 5.491,22 4.244,23 4.507,24 6.131,25 4.391,26 5.437,27 5.705,28 4.251,29 4.544,30 6.373,31 4.4,32 5.392,33 5.653,34 4.053,35 4.47,36 6.281,37 4.31,38 5.325,39 5.606,40 3.975,41 4.412,42 6.075,43 4.228,44 5.312,45 5.612,46 3.916,47 4.351,48 6.059,49 4.162,50 5.192,51 5.478,52 3.915,53 4.295,54 5.939,55 4.131,56 0.051,57 1.001,58 16.621,59 6.92,60 9.766,61 9.829,62 0.301,63 1.693,64 31.64,65 11.824,66 24.627,67 17.392,68 0.35,69 2.2,70 44.443,71 16.066,72 45.274,73 23.63,74 0.6,75 2.386,76 53.444,77 18.692,78 95.354,79 27.644,80 0.666,81 2.229,82 51.701,83 17.479,84 97.651,85 25.451,86 0.404,87 2.121,88 47.273,89 17.197,90 58.26,91 25.453,92 0.607,93 2.039,94 47.099,95 16.16,96 65.951,97 24.449,98 0.35,99 1.888,100 41.452,101 14.488,102 41.938,103 21.877,104 42,105 52,106 0.222,107 0.507,108 0.728,109 0.826,110 0.845,111 0.845,112 3.532,113 1.039,114 -4.08,115 -4.02,116 -3.81,119 38.6,120 3,121 8,123 1,125 3,127 1,140 2,141 4,149 1,150 1,153 1,156 2,169 14,171 2,172 10,176 3,178 17,182 9,186 2,189 11,192 1,193 13,195 1,197 2,199 12,202 1,203 7,208 1,211 14,215 3,218 1,220 1,222 12,225 3,226 6,233 10,237 4,242 2,244 6,249 12,254 2,256 8,259 2026,260 22.102,261 22.102,262 22.102,263 22.102,264 22.102,265 20.639,266 23.46,267 12.84,268 22.304,269 17.666,270 17.666,271 17.666,272 17.666,273 17.666,274 15.203,275 24.462,276 5.883,277 17.973,278 4.723,279 2.918,280 1.515,281 0.889,282 0.775,283 0.775,284 4.224,289 1,290 907,291 4.183,294 75.403,295 277.344,298 128.454,299 134.713,302 1.855,303 34.522,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 70.5,315 421,316 4.687,317 3.967,318 6.919,319 4.304,320 3.309,321 4.646,322 2.049,323 11.66,324 3.292,325 4.382,326 3.408,327 6.843,328 4.258,329 3.266,330 3.515,331 1.798,332 11.394,333 3.241,334 3.964,335 3.364,336 6.229,337 3.781,338 2.829,339 3.365,340 0.8,341 9.135,342 2.702,343 3.834,344 3.087,345 6.165,346 3.684,347 2.716,348 2.899,349 0.314,350 9.115,351 2.62,352 3.697,353 3.054,354 5.828,355 3.44,356 2.46,357 2.836,359 7.947,360 2.4,361 3.418,362 2.868,363 5.112,364 2.971,365 1.982,366 2.726,368 5.898,369 1.961,370 3.303,371 2.506,372 4.956,373 2.932,374 1.879,375 2.414,377 5.321,378 1.955,379 2.96,380 2.006,381 4.648,382 2.696,383 1.706,384 2.098,386 4.689,387 1.687,388 2.747,389 1.959,390 4.419,391 2.603,392 1.603,393 1.75,395 4.277,396 1.602,397 2.542,398 1.697,399 3.824,400 2.468,401 1.482,402 1.53,404 3.272,405 1.457,406 2.395,407 1.597,408 3.7,409 2.027,410 1.039,411 1.27,413 2.165,414 1.023,415 2.118,416 1.388,417 3.388,418 1.86,419 0.87,420 1.069,422 2.11,423 0.852,424 2.066,425 0.971,426 3.314,427 1.802,428 0.822,429 0.942,431 1.913,432 0.805,433 1.971,434 0.915,435 3.209,436 1.604,437 0.606,438 0.666,440 1.257,441 0.6,442 1.718,443 0.764,444 3.018,445 1.394,446 0.318,447 0.5,449 0.501,450 0.339,451 15.7,452 0.476,453 0.933,454 0.028,455 33.25,456 1.008,457 12.5,458 0.379,459 20.75,460 0.629,461 40.372,462 1.223,463 37.7,464 0.539,465 24.511,466 0.743,467 5.708,468 0.173,469 10.117,470 0.307,471 0.159,472 0.032,473 0.306,479 0.636,480 1.442,481 0.916,482 1.233,483 0.491,484 1.124,485 0.656,486 1.129,487 0.902,488 1.014,489 0.505,490 0.984,491 0.927,492 1.148,493 1.067,494 1.119,495 0.763,496 1.102,497 0.826,498 1.014,499 0.918,500 1.008,501 0.764,502 0.977,503 1.411,504 0.953,505 1.19,506 0.992,507 1.449,508 1.058,509 0.725,510 1.08,511 0.974,512 1.082,513 0.715,514 1.066,515 0.722,516 0.887,517 0.907,518 0.885,519 0.715,520 0.914,521 0.725,522 0.965,523 0.924,524 0.964,525 0.58,526 0.958,527 7.5,528 0.226,529 4.444,530 2.972,531 2.058,532 0.924,533 0.66,534 0.561,535 0.428,536 0.308,537 15793,538 35156,539 2.036,540 52.9,541 11,542 9,543 1,544 1,545 1,546 4,547 10,550 1.751,551 1.877,552 3.581,553 -0.412,559 98.408,560 1.406,561 3.211,562 4.614,563 5.24,564 5.354,565 5.354,566 3.021,567 4.56,568 5.02,569 3.823,570 2018.4,571 8.783,572 30926.5,577 429.05,578 1.628,579 4.954,580 0.208,581 0.007,582 0.085,583 0.054,584 0.039,585 0.022,586 0.017,587 0.015,588 0.011,589 0.008,590 0.467,591 0.33,592 1,593 0.998,594 176.431,595 0.001,596 -0.144,597 0.055,598 -0.03,599 0.012,600 0.01,601 0.081,602 0.046,603 0.076,604 0.068,605 0.038,606 0.07,607 -0.077,608 -0.049,609 -0.085,610 -0.079,611 -0.031,612 -0.079,613 0.095,614 -0.03,615 0.06,616 -0.022,617 0.131,618 0.012,619 -0.187,620 0.021,621 -0.178,622 -0.023,623 -0.158,624 -0.091,625 0.011,626 -0.12,627 -0.023,628 -0.09,629 -0.017,630 -0.068,631 0.079,632 0.053,633 0.054,634 0.064,635 -0.002,636 0.054,637 -0.01,638 0.024,639 0.032,640 0.009,641 -0.008,642 0.028,643 1.688,644 5.42,645 0.576,646 32.964,647 0.99,648 1.131,649 2.846,650 8.098,651 0.633,652 3.611,653 3.97,654 4.248,655 4.554,656 4.745,657 4.86,658 4.92,659 5.081,660 5.153,661 5.17,662 7.73,663 0.588,664 451.67,665 3.611,666 5.176,667 6.038,668 6.944,669 7.824,670 8.735,671 9.621,672 10.534,673 11.425,674 12.339,675 4.3,678 1,682 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 70,716 13,717 1,718 36,720 73,721 27,722 8,723 4,724 2,725 1,730 4,731 7,736 3,737 1,739 1,740 6,743 9,745 11,746 16,750 3,755 3,757 1,759 2,764 37,765 5,766 1,767 6,773 3,775 1,777 0.5,778 3,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 3,827 33,833 11,837 1,838 2,839 1,847 4.3,850 3,854 17.583,855 13.317,856 7.278,857 4.779,858 2.282,859 1.283,860 0.951,861 7.283,862 10.341,863 3.807,864 4.347,865 4.889,866 5.487,867 5.923,868 6.296,869 6.623,870 7.018,871 7.122,872 7.255,873 1,874 55,875 12.368,877 5.332,878 7.689,879 24.294,881 20.901,883 2.189,884 72.25,888 423.76,889 116.176,890 23.034,892 75.435,895 116.176,896 499.194,897 23.034,898 26.476,899 29.718,900 28,901 108.039,902 32.04,903 13.915,904 400.217,906 423.76,907 139.21,908 75.435,911 306.049,912 193.146,915 76.103,916 51.683,917 11.424,919 423.76,920 98.469,921 116.176,924 423.76,925 50.276,926 72.148,927 16.786,928 75.435,929 423.76,930 98.469,931 116.176,933 0.584,934 0.346,935 0.198,936 0.103,937 25,938 12,939 0.123,940 9,941 2,942 1.211,943 4.3,944 305.063,945 0.211,946 19,947 158.465,951 24.009,952 10.01,953 5.189,954 2.131,955 81.683,956 6.113,958 3.239,961 3.437,963 16.786,964 638.405,965 44,970 36.429,972 0.955,974 -0.042,975 69.309,976 79.182,977 0.229,978 0.524,979 0.753,980 0.855,981 0.874,982 0.874,983 5.091,984 1.706,985 6.066,986 5.321,987 4.654,988 5.034,989 2.666,990 6.944,991 4.624,992 6.293,993 1.603,994 7.671,995 4.689,996 4.443,997 4.997,998 2.262,999 8.113,1000 4.401,1001 7.619,1002 1.482,1003 9.382,1004 4.277,1005 6.351,1006 7.199,1007 3.635,1008 11.163,1009 6.286,1010 8.978,1011 1.039,1012 11.154,1013 3.272,1014 6.938,1015 8.012,1016 3.801,1017 13.105,1018 6.866,1019 10.374,1020 0.87,1021 12.965,1022 2.165,1023 8.362,1024 9.76,1025 4.828,1026 15.729,1027 8.272,1028 11.793,1029 0.822,1030 14.801,1031 2.11,1032 9.288,1033 10.965,1034 5.253,1035 17.964,1036 9.195,1037 13.231,1038 0.606,1039 16.653,1040 1.913,1041 10.543,1042 12.563,1043 6.115,1044 20.457,1045 10.438,1046 3.309,1047 0.318,1048 18.519,1049 1.257,1050 11.613,1051 13.949,1052 6.671,1053 22.81,1054 11.507,1055 3.266,1056 11.66,1057 20.394,1058 0.501,1059 12.811,1060 15.499,1061 7.451,1062 25.263,1063 12.698,1064 2.829,1065 11.394,1066 22.277,1067 4.646,1068 13.942,1069 16.968,1070 8.077,1071 27.665,1072 13.828,1073 2.716,1074 9.135,1075 24.165,1076 3.515,1077 15.123,1078 18.504,1079 8.816,1080 30.107,1081 15.004,1082 2.46,1083 9.115,1084 26.059,1085 3.365,1086 16.281,1087 20.009,1088 9.479,1089 32.531,1090 16.161,1091 1.982,1092 7.947,1093 27.958,1094 2.899,1095 17.46,1096 21.542,1097 10.201,1098 34.972,1099 17.337,1100 1.879,1101 5.898,1102 29.859,1103 2.836,1104 18.631,1105 23.063,1106 10.885,1107 37.407,1108 18.506,1109 15147,1110 22729,1111 23.463,1112 44.324,1113 54.937,1114 57.849,1115 56.477,1116 53.814,1117 53.79,1118 64.468,1119 9.923,1120 161.34,1121 53.088,1122 5.687,1123 5.967,1124 6.693,1125 5.341,1126 5.309,1127 7.646,1128 3.493,1129 18.968,1130 5.292,1131 19.276,1132 1.526,1133 1.607,1134 1.569,1135 1.495,1136 1.494,1137 1.791,1138 0.276,1139 4.482,1140 1.475,1141 4.167,1142 4.197,1143 4.127,1144 4.094,1145 7.453,1146 4.098,1147 3.937,1148 3.98,1149 3.856,1150 3.79,1151 7.442,1152 3.796,1153 3.816,1154 3.878,1155 3.708,1156 3.665,1157 7.411,1158 3.667,1159 3.639,1160 3.7,1161 3.504,1162 3.512,1163 4.934,1164 3.501,1165 3.56,1166 3.636,1167 3.39,1168 3.41,1169 4.385,1170 3.393,1171 3.381,1172 3.445,1173 3.238,1174 3.235,1175 4.281,1176 3.228,1177 3.32,1178 3.368,1179 3.189,1180 3.121,1181 4.218,1182 3.131,1183 3.166,1184 3.202,1185 3.084,1186 2.933,1187 4.045,1188 2.958,1189 0.13,1190 0.11,1191 0.192,1192 0.12,1193 0.092,1194 4.687,1195 0.129,1196 3.967,1197 0.057,1198 6.919,1199 0.324,1200 4.304,1201 0.091,1202 3.309,1203 4.646,1204 2.049,1205 11.66,1206 3.292,1207 2.032,1208 2.008,1209 2.14,1210 2.116,1211 1.481,1212 2.126,1213 1.877,1214 1.836,1215 2.055,1216 2.047,1217 1.366,1218 2.047,1219 1.748,1220 1.686,1221 1.969,1222 1.926,1223 1.286,1224 1.942,1225 1.601,1226 1.533,1227 1.881,1228 1.787,1229 1.157,1230 1.82,1231 1.556,1232 1.515,1233 1.757,1234 1.765,1235 1.005,1236 1.761,1237 1.525,1238 1.464,1239 1.679,1240 1.682,1241 0.831,1242 1.695,1243 1.31,1244 1.241,1245 1.58,1246 1.562,1247 0.758,1248 1.572,1249 1.168,1250 1.096,1251 1.464,1252 1.398,1253 0.665,1254 1.423,1255 4.29,1257 5.638,1258 2.398,1259 7.182,1260 4.727,1261 8.824,1262 6.843,1263 10.52,1265 6.195,1271 9.489,1275 0.455,1276 4.063,1277 -0.214,1280 41.164,1281 98.408,1282 224.785,1283 323.011,1284 366.785,1285 374.785,1286 374.785,1287 80.174,1288 8.06,1289 73.48,1290 73.48,1291 23,1292 12.856,1293 3.807,1294 3.17,1295 54.515,1296 152,1297 141,1298 0.169,1299 252.07,1300 445.31,1301 606.811,1302 39109,1304 23.587,1305 0.715,1306 0.615,1307 23.587,1308 20.284,1309 15.825,1310 0.44,1311 0.346,1312 12.352,1313 15.343,1314 11.941,1315 9.928,1316 15.825,1317 12.47,1318 14.682,1319 0.282,1320 0.204,1321 14.682,1322 10.584,1323 11.912,1324 0.173,1325 0.107,1326 11.912,1327 7.361,1328 10.731,1329 0.114,1330 0.061,1331 10.731,1332 5.71,1333 7.958,1334 0.07,1335 0.036,1336 7.958,1337 4.131,1338 0.27,1339 98.377,1340 0.206,1341 30.816,1342 0.451,1343 176,1344 438.83,1345 188.751,1346 422.099,1347 569.64,1348 394,1349 209,1350 407.958,1351 221.976,1352 415.148,1353 609.42,1354 390,1355 8.301} {0 CHEMBL1788231,1 1.44,2 10.75,3 4.696,4 22.051,5 116.243,6 6.677,7 0.355,8 4.161,9 4.283,10 3.794,11 3.749,12 4.994,13 3.664,14 4.797,15 4.99,16 4.109,17 4.193,18 5.785,19 4.078,20 5.139,21 5.38,22 4.247,23 4.42,24 5.932,25 4.252,26 5.262,27 5.512,28 4.226,29 4.418,30 6.177,31 4.238,32 5.224,33 5.483,34 4.099,35 4.298,36 6.205,37 4.15,38 5.08,39 5.323,40 3.975,41 4.25,42 6.005,43 4.103,44 5.089,45 5.342,46 3.931,47 4.324,48 5.807,49 4.131,50 5.171,51 5.451,52 3.762,53 4.263,54 5.923,55 4.043,56 0.113,57 0.877,58 17.909,59 6.521,60 11.344,61 8.764,62 0.398,63 1.512,64 30.215,65 11.167,66 49.747,67 15.382,68 0.294,69 2.007,70 46.361,71 16.655,72 31.033,73 21.896,74 0.467,75 2.113,76 54.946,77 18.593,78 60.353,79 23.57,80 0.56,81 1.943,82 51.421,83 16.069,84 85.273,85 21.159,86 0.554,87 1.756,88 40.049,89 13.583,90 67.481,91 18.8,92 0.258,93 1.835,94 41.356,95 15.827,96 26.488,97 21.459,98 0.348,99 1.843,100 44.702,101 16.496,102 46.915,103 22.446,104 10,105 44,106 0.234,107 0.466,108 0.657,109 0.79,110 0.846,111 0.857,112 3.375,113 1.182,114 -4.81,115 -4.72,116 -4.43,119 38.3,120 1,121 6,122 1,125 4,127 1,140 7,141 2,142 1,169 14,171 3,172 6,178 16,182 8,189 10,192 1,193 17,199 8,203 12,211 9,214 2,215 6,222 14,226 3,233 15,237 8,244 10,249 5,256 7,259 1274,260 18.963,261 18.963,262 18.963,263 18.963,264 18.963,265 17.436,266 18.849,267 11.214,268 19.271,269 15.305,270 15.305,271 15.305,272 15.305,273 15.305,274 12.958,275 26.966,276 5.302,277 15.827,278 4.467,279 3.048,280 1.874,281 1.055,282 0.713,283 0.646,284 4.072,288 1,289 1,290 657,291 3.391,295 312.542,299 115.109,302 1.625,303 28.183,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 59,315 301,316 4.995,317 4.749,318 7.782,319 4.516,320 3.588,321 4.879,322 0.8,323 14.212,324 3.31,325 4.33,326 3.004,327 6.472,328 3.877,329 2.889,330 4.17,331 0.4,332 9.874,333 2.856,334 3.668,335 2.857,336 5.855,337 3.583,338 2.629,339 2.741,341 7.856,342 2.515,343 3.551,344 2.704,345 5.411,346 3.407,347 2.441,348 2.609,350 7.123,351 2.348,352 3.202,353 2.198,354 5.005,355 3.044,356 2.085,357 2.427,359 5.698,360 1.986,361 3.118,362 1.777,363 4.877,364 2.712,365 1.718,366 2.423,368 5.195,369 1.706,370 3.078,371 1.618,372 4.313,373 2.618,374 1.618,375 2.083,377 3.768,378 1.618,379 2.761,380 1.544,381 3.962,382 2.48,383 1.491,384 1.89,386 3.399,387 1.473,388 2.498,389 1.341,390 3.633,391 2.265,392 1.267,393 1.498,395 2.855,396 1.264,397 2.284,398 1.242,399 3.575,400 2.095,401 1.131,402 1.244,404 2.726,405 1.085,406 2.178,407 1.077,408 3.414,409 1.984,410 1,411 1.036,413 2.275,414 0.983,415 2,416 0.836,417 3.305,418 1.723,419 0.734,420 1,422 1.737,423 0.724,424 1.712,425 0.775,426 3.177,427 1.669,428 0.685,429 0.708,431 1.607,432 0.673,433 1.043,434 0.136,435 2.836,436 0.9,437 -0.084,438 -0.085,440 -0.19,441 -0.083,442 1,443 -0.041,444 2.555,445 0.545,446 -0.431,447 -0.517,449 -1.084,450 -0.413,451 13.8,452 0.493,453 0.704,454 0.025,455 30.25,456 1.08,457 13,458 0.464,459 17.25,460 0.616,461 30.391,462 1.085,463 31.8,464 0.53,465 21.225,466 0.758,467 4.936,468 0.176,469 8.618,470 0.308,471 0.085,472 0.06,473 0.239,479 0.476,480 1.436,481 0.922,482 1.303,483 0.612,484 1.111,485 0.723,486 1.109,487 0.917,488 0.972,489 0.49,490 1.025,491 0.891,492 1.071,493 1.106,494 1.091,495 0.662,496 1.005,497 1.385,498 1.068,499 1.268,500 1.167,501 1.424,502 1.008,503 1.853,504 0.956,505 1.161,506 0.972,507 1.973,508 0.861,509 1.621,510 0.901,511 1.013,512 0.84,513 1.68,514 0.968,515 0.714,516 1.095,517 1.087,518 1.137,519 0.611,520 1.132,521 0.956,522 1.045,523 1.027,524 1.059,525 1.04,526 1.074,527 5.5,528 0.074,529 4,530 2.313,531 1.796,532 1.021,533 0.489,534 0.363,535 0.27,536 0.187,537 9533,538 18062,539 2.106,540 53.3,541 6,542 16,547 8,548 2,550 1.714,551 1.988,552 3.361,553 -0.813,559 86.372,560 1.44,561 2.858,562 4.033,563 4.852,564 5.194,565 5.261,566 2.88,567 4.45,568 4.777,569 3.518,570 1329.63,571 8.327,572 17078,574 1,577 354.413,578 1.454,579 4.74,580 0.177,581 0.004,582 0.091,583 0.049,584 0.041,585 0.024,586 0.013,587 0.01,588 0.009,589 0.008,590 0.427,591 0.33,592 1,593 0.517,594 139.058,595 0.193,596 -0.173,597 0.237,598 -0.065,599 -0.101,600 0.022,601 0.263,602 0.05,603 0.066,604 0.048,605 0.266,606 -0.005,607 -0.008,608 0.008,609 0.041,610 0.006,611 0.058,612 0.011,613 -0.031,614 -0.052,615 -0.026,616 -0.059,617 0.01,618 -0.022,619 -0.138,620 0.014,621 -0.017,622 0.031,623 -0.068,624 0.079,625 -0.128,626 0.108,627 -0.094,628 0.06,629 -0.136,630 -0.027,631 -0.039,632 -0.08,633 -0.112,634 -0.116,635 -0.019,636 -0.116,637 -0.053,638 -0.119,639 -0.093,640 -0.102,641 -0.065,642 -0.096,643 4.401,644 6.618,645 0.786,646 24.321,647 0.986,648 1.126,649 3.581,650 12.823,651 0.65,652 3.466,653 3.807,654 4.094,655 4.357,656 4.595,657 4.564,658 4.682,659 4.762,660 4.852,661 4.852,662 6.226,663 0.593,664 400.64,665 3.466,666 5.017,667 5.878,668 6.77,669 7.651,670 8.55,671 9.441,672 10.344,673 11.241,674 12.148,675 3.3,678 2,687 2,688 7,693 1,695 11,714 60,716 13,717 2,718 31,720 63,721 23,722 10,723 3,724 7,730 4,731 5,736 1,740 6,741 1,743 7,745 10,746 13,747 1,750 2,753 1,755 2,761 1,764 32,765 4,767 5,768 1,773 2,777 0.75,778 2,793 4,797 1,815 1,819 3,821 1,823 1,827 28,830 1,833 10,837 2,838 2,847 3.3,850 2,854 14.083,855 10.65,856 6.083,857 4.111,858 2.279,859 1.3,860 0.984,861 6.055,862 9.868,863 3.676,864 4.256,865 4.783,866 5.345,867 5.882,868 6.097,869 6.5,870 6.792,871 7.075,872 6.954,873 1,874 47,875 10.739,877 4.862,878 7.557,879 21.092,881 18.591,883 2.057,884 57.583,886 1,887 1,888 376.675,889 111.293,890 4.643,892 44.313,894 5.807,895 105.486,896 420.988,897 4.643,898 8.825,899 23.63,900 72.141,901 44.313,902 11.34,904 376.675,906 376.675,907 110.128,908 44.313,909 5.807,911 258.964,912 162.024,915 37.098,916 73.03,917 5.807,919 376.675,920 48.956,921 111.293,923 5.807,924 376.675,925 30.327,926 79.802,928 44.313,929 376.675,930 48.956,931 111.293,933 0.585,934 0.347,935 0.19,936 0.106,937 22,938 9,939 0.079,940 5,941 1,942 1.091,943 3.904,944 250.731,945 0.091,946 22,947 126.606,950 1,951 19.882,952 8.527,953 4.299,954 1.818,955 48.956,956 13.418,961 0.462,964 536.924,965 38.5,968 -3.485,970 27.236,975 59.189,976 67.563,977 0.244,978 0.484,979 0.683,980 0.821,981 0.879,982 0.891,983 4.94,984 1.491,985 5.889,986 3.768,987 4.489,988 4.942,989 0.824,990 6.767,991 4.417,992 6.142,993 1.267,994 7.495,995 3.399,996 4.205,997 5.017,998 0.325,999 8.055,1000 4.033,1001 7.486,1002 1.131,1003 9.229,1004 2.855,1005 6.176,1006 7.242,1007 0.413,1008 11.183,1009 5.996,1010 8.879,1011 1,1012 11.047,1013 2.726,1014 6.77,1015 8.229,1016 0.268,1017 13.375,1018 6.465,1019 10.323,1020 0.734,1021 12.924,1022 2.275,1023 8.247,1024 10.006,1025 0.246,1026 16.142,1027 7.919,1028 11.803,1029 0.685,1030 14.843,1031 1.737,1032 9.229,1033 11.353,1034 0.188,1035 18.639,1036 8.778,1037 13.31,1038 -0.084,1039 16.793,1040 1.607,1041 10.543,1042 12.988,1043 0.157,1044 21.32,1045 10.043,1046 3.588,1047 -0.431,1048 18.766,1049 -0.19,1050 11.692,1051 14.469,1052 0.125,1053 23.918,1054 11.08,1055 2.889,1056 14.212,1057 20.756,1058 -1.084,1059 12.96,1060 16.059,1061 0.102,1062 26.578,1063 12.278,1064 2.629,1065 9.874,1066 22.76,1067 4.879,1068 14.179,1069 17.592,1070 0.082,1071 29.211,1072 13.394,1073 2.441,1074 7.856,1075 24.774,1076 4.17,1077 15.44,1078 19.168,1079 0.067,1080 31.865,1081 14.575,1082 2.085,1083 7.123,1084 26.796,1085 2.741,1086 16.688,1087 20.724,1088 0.054,1089 34.511,1090 15.727,1091 1.718,1092 5.698,1093 28.824,1094 2.609,1095 17.952,1096 22.297,1097 0.043,1098 37.164,1099 16.905,1100 1.618,1101 5.195,1102 30.857,1103 2.427,1104 19.213,1105 23.864,1106 0.035,1107 39.815,1108 18.075,1109 9030,1110 12685,1111 20.86,1112 38.989,1113 46.459,1114 47.295,1115 47.753,1116 46.618,1117 46.555,1118 57.416,1119 2.4,1120 136.654,1121 45.08,1122 5.995,1123 6.749,1124 7.471,1125 5.58,1126 5.588,1127 7.879,1128 1.2,1129 22.801,1130 5.31,1131 11.437,1132 1.499,1133 1.526,1134 1.54,1135 1.504,1136 1.502,1137 1.852,1138 0.077,1139 4.408,1140 1.454,1141 4.177,1142 4.173,1143 4.749,1144 4.163,1145 7.715,1146 4.109,1147 3.928,1148 3.98,1149 3.943,1150 3.827,1151 6.999,1152 3.798,1153 3.857,1154 3.904,1155 3.77,1156 3.734,1157 4.877,1158 3.71,1159 3.639,1160 3.632,1161 3.614,1162 3.568,1163 4.387,1164 3.509,1165 3.457,1166 3.536,1167 3.313,1168 3.311,1169 4.317,1170 3.287,1171 3.393,1172 3.423,1173 3.274,1174 3.299,1175 4.242,1176 3.275,1177 3.174,1178 3.27,1179 2.957,1180 2.981,1181 3.931,1182 2.963,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.794,1188 2.91,1189 0.161,1190 0.153,1191 0.251,1192 0.146,1193 0.116,1194 4.995,1195 0.157,1196 4.749,1197 0.026,1198 7.782,1199 0.458,1200 4.516,1201 0.107,1202 3.588,1203 4.879,1204 0.8,1205 14.212,1206 3.31,1207 2.104,1208 2.102,1209 2.146,1210 2.153,1211 1.488,1212 2.18,1213 1.894,1214 1.844,1215 2.094,1216 2.058,1217 1.426,1218 2.075,1219 1.831,1220 1.779,1221 2.036,1222 1.991,1223 1.313,1224 2.015,1225 1.552,1226 1.554,1227 1.761,1228 1.675,1229 1.096,1230 1.712,1231 1.473,1232 1.399,1233 1.658,1234 1.651,1235 0.825,1236 1.698,1237 1.346,1238 1.336,1239 1.551,1240 1.489,1241 0.82,1242 1.527,1243 1.195,1244 1.102,1245 1.513,1246 1.433,1247 0.786,1248 1.479,1249 1.153,1250 1.064,1251 1.43,1252 1.376,1253 0.682,1254 1.429,1255 4.143,1257 5.476,1259 7.026,1261 8.672,1263 10.37,1265 2.33,1271 10.517,1275 0.95,1276 4.335,1280 35.561,1281 86.372,1282 171.504,1283 241.968,1284 291.129,1285 311.659,1286 315.659,1287 58.587,1288 7.589,1289 40.62,1290 49,1291 24,1292 12.667,1293 3.807,1294 3.087,1295 42.293,1296 101,1297 126,1298 0.199,1299 219.896,1300 380.11,1301 528.306,1302 22119,1304 19.562,1305 0.699,1306 0.632,1307 19.812,1308 17.703,1309 13.554,1310 0.437,1311 0.394,1312 10.816,1313 12.492,1314 10.433,1315 8.634,1316 14.342,1317 12.215,1318 12.421,1319 0.282,1320 0.237,1321 13.703,1322 10.414,1323 10.476,1324 0.178,1325 0.145,1326 11.801,1327 8.574,1328 8.737,1329 0.113,1330 0.087,1331 10.122,1332 6.683,1333 7.344,1334 0.075,1335 0.054,1336 8.575,1337 5.285,1338 0.308,1339 91.336,1340 0.219,1341 26.481,1342 0.562,1343 150,1344 341.622,1345 199.024,1346 354.041,1347 488.87,1348 328,1349 178,1350 335.499,1351 238.679,1352 378.591,1353 559.17,1354 357,1355 6.3} {0 CHEMBL182837,1 1.544,2 6.267,3 3.413,4 11.649,5 67.184,6 9.248,7 0.375,8 3.454,9 3.595,10 3.213,11 3.022,12 4.456,13 2.965,14 3.979,15 4.188,16 3.638,17 3.405,18 4.938,19 3.312,20 4.118,21 4.336,22 3.602,23 3.468,24 5.034,25 3.329,26 4.112,27 4.36,28 3.659,29 3.422,30 4.98,31 3.269,32 4.114,33 4.354,34 3.366,35 3.361,36 4.985,37 3.159,38 4.02,39 4.32,40 3.055,41 3.144,42 4.803,43 2.972,44 3.782,45 4.047,46 3.061,47 2.939,48 4.464,49 2.653,50 3.6,51 4.023,52 2.736,53 2.424,54 3.925,55 1.973,56 0.028,57 0.437,58 4.814,59 2.512,60 4.401,61 3.489,62 0.151,63 0.681,64 11.922,65 4.568,66 12.208,67 6.217,68 0.122,69 0.739,70 20.924,71 5.445,72 14.722,73 7.161,74 0.146,75 0.705,76 16.272,77 5.141,78 14.188,79 6.961,80 0.134,81 0.663,82 37.757,83 6.544,84 17.682,85 8.141,86 0.197,87 0.596,88 19.295,89 4.337,90 17.159,91 6.07,92 0.09,93 0.436,94 13.741,95 4.243,96 9.433,97 5.992,98 0.101,99 0.251,100 22.426,101 4.37,102 9.651,103 5.557,104 10,105 22,106 0.303,107 0.662,108 0.768,109 0.768,110 0.768,111 0.768,112 2.795,113 1.084,114 -4.04,115 -3.99,116 -3.78,117 1,119 37.9,120 2,125 2,140 2,141 2,142 2,157 1,169 4,174 2,175 1,176 2,178 6,186 4,189 6,193 2,197 2,199 5,203 4,208 5,226 1,231 1,259 220,260 9.861,261 9.861,262 9.861,263 9.861,264 9.861,265 8.695,266 13.775,267 5.852,268 10.217,269 7.895,270 7.895,271 7.895,272 7.895,273 7.895,274 6.188,275 17.294,276 2.794,277 8.53,278 3.314,279 1.49,280 0.949,281 0.949,282 0.949,283 0.949,284 3.435,288 1,289 1,290 195,291 1.871,294 39.488,295 47.862,302 0.987,303 7.937,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 31.25,315 94,316 4.396,317 3.288,318 6.437,319 4.003,320 3.033,321 4.078,322 1.263,323 9.87,324 2.939,325 3.838,326 2.996,327 5.347,328 3.402,329 2.495,330 3.116,331 0.277,332 6.98,333 2.259,334 3.431,335 2.615,336 4.981,337 2.937,338 2.079,339 2.731,340 0.247,341 5.805,342 1.879,343 3.232,344 2.147,345 4.879,346 2.879,347 1.879,348 2.481,350 5.225,351 1.665,352 2.281,353 1.533,354 3.583,355 2.176,356 1.238,357 1.268,359 2.744,360 1.145,361 1.831,362 1.109,363 3.102,364 1.518,365 0.618,366 0.677,368 1.372,369 0.556,370 1.628,371 0.945,372 3,373 1.433,374 0.512,375 0.562,377 1.302,378 0.443,379 1,380 0.123,381 2.653,382 0.653,383 -0.347,384 -0.445,386 -0.898,387 -0.303,388 0.647,389 -0.11,390 2.37,391 0.28,392 -0.581,393 -0.671,395 -1.425,396 -0.347,397 0.352,398 -0.323,399 1.528,400 0.069,401 -0.753,402 -0.81,404 -1.847,405 -0.671,406 -0.226,407 -1.049,408 1.468,409 -0.532,410 -1.454,411 -1.566,413 -3.397,414 -1.291,415 -0.232,416 -1.129,417 1.265,418 -0.568,419 -1.532,420 -1.83,422 -4.117,423 -1.456,424 -0.301,425 -1.357,426 1,427 -0.718,428 -1.597,429 -2.036,431 -4.372,432 -1.473,433 -0.479,434 -1.393,435 1,436 -0.776,437 -1.618,438 -2.141,439 -0.17,440 -4.493,441 -1.532,442 -0.5,443 -1.654,444 1,445 -1,446 -1.973,447 -2.414,448 -0.647,449 -5.916,450 -1.813,451 8.033,452 0.536,453 0.421,454 0.028,455 17.5,456 1.167,457 8,458 0.533,459 9.5,460 0.633,461 12.811,462 0.854,463 15.967,464 0.551,465 8.395,466 0.56,467 3.292,468 0.219,469 3.872,470 0.258,471 0.29,473 0.311,479 0.975,480 1.371,481 0.492,482 0.814,483 1.004,484 0.896,485 0.728,486 0.872,487 0.534,488 0.676,489 0.678,490 0.775,491 1.276,492 1.228,493 0.998,494 1.062,495 1.253,496 1.101,497 1.313,498 0.934,499 0.705,500 0.74,501 1.042,502 0.897,503 0.93,504 1.384,505 1.703,506 1.605,507 0.972,508 1.351,509 1.561,510 0.592,511 0.626,512 0.597,513 1.616,514 0.768,515 0.229,516 1.352,517 0.647,518 1.345,519 0.615,520 1.485,521 0.293,522 0.205,523 0.938,524 0.456,525 0.274,526 0.314,527 3.5,529 1.556,530 1.222,531 0.919,532 0.236,533 0.261,534 0.077,535 0.031,537 1527,538 4273,539 1.993,540 48.3,541 6,542 6,545 2,550 1.533,551 1.837,552 2.675,553 0.496,555 1,556 1,557 1,559 44.77,560 1.544,561 3.368,562 3.909,563 3.909,564 3.909,565 3.909,566 2.182,567 2.974,568 3.882,569 2.775,570 291.334,571 6.512,572 2376.7,574 1,575 1,576 1,577 140.881,578 1.506,579 3.82,580 0.219,582 0.071,583 0.064,584 0.054,585 0.017,586 0.024,587 0.019,588 0.016,590 0.483,591 1,592 1,593 0.725,594 58.009,595 -0.089,596 -0.147,597 -0.001,598 -0.007,599 -0.16,600 0.011,601 0.257,602 0.243,603 0.054,604 0.153,605 0.267,606 0.138,607 -0.22,608 -0.165,609 -0.085,610 -0.131,611 -0.244,612 -0.167,613 -0.238,614 0.104,615 0.036,616 0.127,617 -0.108,618 0.017,619 0.018,620 -0.473,621 -0.223,622 -0.45,623 0.032,624 -0.322,625 -0.372,626 0.387,627 -0.016,628 0.199,629 -0.402,630 0.112,631 0.299,632 -0.501,633 0.051,634 -0.432,635 0.079,636 -0.493,637 0.39,638 0.333,639 0.23,640 0.63,641 0.546,642 0.767,643 0.788,644 1.318,645 0.733,646 7.689,647 0.994,648 1.132,649 2.81,650 7.895,651 0.688,652 2.833,653 3.135,654 3.332,655 3.555,656 3.555,657 3.526,658 3.367,659 3.296,660 3.045,661 2.833,662 3.924,663 0.629,664 268.18,665 2.833,666 4.344,667 5.165,668 6.028,669 6.866,670 7.732,671 8.576,672 9.443,673 10.29,674 11.156,675 10.3,677 1,680 1,684 1,688 2,693 4,695 6,707 1,713 1,714 29,716 7,717 1,718 16,719 1,720 30,721 11,722 6,723 4,724 2,730 2,731 2,734 1,736 2,745 7,746 4,750 1,758 1,759 1,761 1,764 14,765 3,766 2,767 4,768 1,773 3,777 1,792 1,793 1,814 1,819 2,822 1,823 2,827 15,833 2,834 2,846 1,854 8.167,855 5.76,856 3.306,857 1.707,858 1.473,859 1.261,860 0.982,861 3.194,862 7.122,863 3.045,864 3.624,865 4.082,866 4.571,867 4.928,868 5.001,869 4.896,870 5.044,871 5.094,872 4.961,873 1,874 19,875 5.515,876 -0.001,877 2.212,878 7.506,879 10.78,881 8.525,883 2.006,884 30.083,885 0.006,888 141.253,889 54.896,890 98.761,895 100.851,896 141.253,897 52.807,898 17.65,899 4.211,900 36.963,901 18.011,902 28.969,903 1.899,904 141.253,905 45.954,906 141.253,907 107.703,910 45.954,911 141.253,915 56.658,916 33.035,917 18.011,918 45.954,919 141.253,920 52.807,921 100.851,924 141.253,925 18.294,926 36.603,927 81.976,928 16.786,929 141.253,930 52.807,931 100.851,933 0.582,934 0.331,935 0.18,936 0.08,937 11,938 5,939 0.067,940 2,942 1,943 2.713,944 95.48,946 11,947 52.603,951 10.805,952 4.434,953 2.455,955 52.807,956 4.204,961 4.701,963 36.022,964 294.911,965 20,973 4.318,974 0.878,975 28.836,976 32.828,977 0.318,978 0.693,979 0.805,980 0.805,981 0.805,982 0.805,983 4.27,984 -0.347,985 5.153,986 1.302,987 3.807,988 4.304,989 1.416,990 5.927,991 3.667,992 5.478,993 -0.581,994 6.693,995 -0.898,996 3.434,997 4.205,998 0.623,999 6.742,1000 3.202,1001 6.787,1002 -0.753,1003 8.332,1004 -1.425,1005 5.361,1006 6.46,1007 1.529,1008 9.822,1009 5.125,1010 8.131,1011 -1.454,1012 10.026,1013 -1.847,1014 5.771,1015 7.12,1016 1.178,1017 11.447,1018 5.482,1019 9.502,1020 -1.532,1021 11.757,1022 -3.397,1023 7.192,1024 8.897,1025 1.785,1026 14.051,1027 6.891,1028 10.891,1029 -1.597,1030 13.513,1031 -4.117,1032 7.967,1033 9.914,1034 1.663,1035 16.037,1036 7.636,1037 12.295,1038 -1.618,1039 15.289,1040 -4.372,1041 9.19,1042 11.498,1043 2.114,1044 18.462,1045 8.843,1046 3.033,1047 -1.973,1048 17.08,1049 -4.493,1050 10.139,1051 12.698,1052 2.128,1053 20.613,1054 9.768,1055 2.495,1056 9.87,1057 18.884,1058 -5.916,1059 11.284,1060 14.193,1061 2.491,1062 22.963,1063 10.895,1064 2.079,1065 6.98,1066 20.698,1067 4.078,1068 12.315,1069 15.49,1070 2.589,1071 25.189,1072 11.903,1073 1.879,1074 5.805,1075 22.52,1076 3.116,1077 13.431,1078 16.942,1079 2.899,1080 27.506,1081 12.999,1082 1.238,1083 5.225,1084 24.35,1085 2.731,1086 14.5,1087 18.289,1088 3.051,1089 29.767,1090 14.043,1091 0.618,1092 2.744,1093 26.186,1094 2.481,1095 15.608,1096 19.719,1097 3.329,1098 32.069,1099 15.128,1100 0.512,1101 1.372,1102 28.026,1103 1.268,1104 16.696,1105 21.093,1106 3.513,1107 34.345,1108 16.19,1109 1584,1110 2718,1111 10.345,1112 19.938,1113 23.772,1114 24.24,1115 24.159,1116 23.833,1117 23.71,1118 29.828,1119 3.573,1120 66.597,1121 21.775,1122 5.294,1123 5.288,1124 6.051,1125 5.059,1126 5.033,1127 7.078,1128 2.232,1129 16.705,1130 4.939,1131 7.298,1132 1.486,1133 1.515,1134 1.51,1135 1.49,1136 1.482,1137 1.864,1138 0.223,1139 4.162,1140 1.361,1141 3.972,1142 4.008,1143 6.88,1144 3.92,1145 4.841,1146 3.907,1147 3.745,1148 3.817,1149 3.862,1150 3.529,1151 4.651,1152 3.55,1153 3.266,1154 3.35,1155 3.632,1156 3.125,1157 3.966,1158 3.101,1159 3.107,1160 3.166,1161 3.067,1162 3.054,1163 3.939,1164 2.99,1165 2.933,1166 3.049,1167 2.816,1168 2.672,1169 3.637,1170 2.668,1171 2.551,1172 2.698,1173 2.626,1174 2.267,1175 3.488,1176 2.221,1177 2.429,1178 2.537,1179 2.301,1180 2.229,1181 3.09,1182 2.191,1183 2.415,1184 2.5,1185 2.172,1186 2.186,1187 3.085,1188 2.187,1189 0.275,1190 0.206,1191 0.402,1192 0.25,1193 0.19,1194 4.396,1195 0.255,1196 3.288,1197 0.079,1198 6.437,1199 0.617,1200 4.003,1201 0.184,1202 3.033,1203 4.078,1204 1.263,1205 9.87,1206 2.939,1207 1.935,1208 1.912,1209 2.019,1210 2.014,1211 1.198,1212 2.024,1213 1.445,1214 1.362,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.308,1220 1.23,1221 1.639,1222 1.608,1223 0.719,1224 1.571,1225 1.303,1226 1.226,1227 1.441,1228 1.507,1229 0.477,1230 1.557,1231 1.071,1232 1.001,1233 1.363,1234 1.262,1235 0.443,1236 1.322,1237 0.625,1238 0.523,1239 0.939,1240 0.955,1241 0.06,1242 0.964,1243 0.477,1244 0.374,1245 0.879,1246 0.726,1248 0.784,1249 0.116,1251 0.588,1252 0.434,1254 0.506,1255 3.497,1257 4.796,1258 2.398,1259 6.275,1260 4.443,1261 7.848,1262 6.26,1263 9.474,1264 3.486,1265 4.186,1271 1.786,1272 6.524,1280 18.25,1281 44.77,1282 97.662,1283 113.372,1284 113.372,1285 113.372,1286 113.372,1287 15.129,1288 5.649,1289 36.42,1290 36.42,1291 11,1292 11.706,1293 3,1294 2.322,1295 23.527,1296 34,1297 30,1298 0.35,1299 122.087,1300 204.96,1301 289.651,1302 1525,1303 3.4,1304 10.836,1305 0.722,1306 0.699,1307 11.836,1308 10.48,1309 7.165,1310 0.448,1311 0.361,1312 4.981,1313 6.395,1314 4.72,1315 3.954,1316 7.742,1317 5.78,1318 6.581,1319 0.299,1320 0.21,1321 7.398,1322 4.612,1323 5.09,1324 0.189,1325 0.106,1326 5.562,1327 2.873,1328 4.372,1329 0.129,1330 0.07,1331 5.115,1332 2.395,1333 2.58,1334 0.076,1335 0.03,1336 2.929,1337 1.027,1338 0.519,1339 52.676,1340 0.311,1341 15.032,1342 1.04,1343 76,1344 192.965,1345 147.532,1346 229.009,1347 306.47,1348 214,1349 87,1350 201.79,1351 120.954,1352 219.718,1353 317.9,1354 206,1355 7.268} {0 CHEMBL1829958,1 1.809,2 7,3 2.353,4 5.536,5 73.751,6 11.302,7 0.8,8 3.461,9 3.569,10 3.367,11 3.061,12 4.737,13 3.064,14 3.878,15 3.998,16 3.854,17 3.44,18 5.161,19 3.433,20 4.061,21 4.206,22 3.828,23 3.545,24 5.273,25 3.506,26 4.123,27 4.285,28 3.825,29 3.484,30 5.418,31 3.434,32 4.107,33 4.321,34 3.474,35 3.311,36 5.288,37 3.229,38 3.87,39 4.096,40 3.496,41 3.077,42 5.21,43 2.996,44 3.609,45 3.844,46 3.443,47 2.821,48 4.777,49 2.675,50 3.054,51 3.316,52 3.238,53 2.356,54 4.104,55 2.109,56 0.105,57 0.43,58 1.659,59 1.957,60 11.796,61 1.805,62 0.172,63 0.651,64 4.64,65 3.131,66 13.185,67 3.369,68 0.179,69 0.735,70 5.002,71 4.343,72 18.256,73 4.653,74 0.272,75 0.76,76 11.212,77 4.792,78 25.025,79 5.089,80 0.357,81 0.737,82 18.346,83 5.03,84 34.592,85 5.132,86 0.321,87 0.558,88 9.663,89 3.902,90 37.367,91 4.465,92 0.253,93 0.404,94 13.411,95 3.29,96 27.473,97 3.021,98 0.153,99 0.192,100 13.779,101 2.74,102 15.001,103 2.807,104 10,105 29,106 0.347,107 0.734,108 0.865,109 0.899,110 0.899,111 0.899,112 2.963,113 0.905,114 -3.14,115 -3.13,116 -3.01,118 1,119 44.4,140 3,141 3,142 1,143 1,145 1,148 1,149 1,150 1,161 1,162 1,163 1,169 4,171 1,172 4,173 1,174 1,176 6,178 4,180 1,182 2,186 5,189 3,191 1,193 2,194 1,195 1,196 1,197 5,199 4,201 2,206 2,207 1,210 1,211 2,215 4,218 2,219 1,220 2,221 1,222 1,224 2,226 2,231 2,235 1,242 1,244 2,256 1,259 336,260 12.069,261 12.069,262 12.069,263 12.069,264 12.069,265 10.101,266 6.963,267 6.951,268 12.5,269 9.849,270 9.849,271 9.849,272 9.849,273 9.849,274 6.967,275 5.638,276 3.266,277 10.635,278 2.946,279 0.93,280 0.25,281 0.074,282 0.074,283 0.074,284 3.636,288 1,289 1,290 272,291 1.871,294 31.818,295 89.349,298 61.222,302 0.889,303 17.862,306 1,307 1,308 1,309 0.4,311 1,312 1,313 0.77,314 38.75,315 126,316 4.687,317 3.306,318 6.933,319 4.242,320 3.26,321 4.639,323 11.664,324 3.202,325 4.197,326 2.978,327 6.188,328 3.726,329 2.783,330 3.875,332 8.991,333 2.64,334 3.574,335 2.593,336 5.185,337 3.06,338 2.204,339 2.961,341 6.266,342 1.908,343 3.42,344 2.188,345 5.033,346 2.929,347 1.994,348 2.806,350 5.677,351 1.833,352 3.143,353 1.848,354 4.732,355 2.648,356 1.732,357 2.406,359 4.798,360 1.465,361 2.8,362 1.378,363 4.061,364 2.307,365 1.346,366 1.931,368 3.356,369 1.29,370 2.547,371 1.087,372 3.78,373 2.019,374 1.057,375 1.57,377 2.65,378 1.001,379 2.199,380 0.861,381 3.315,382 1.682,383 0.756,384 1.071,386 1.823,387 0.691,388 1.284,389 0.352,390 2.683,391 0.849,392 -0.027,393 -0.034,395 -0.065,396 -0.02,397 1.038,398 -0.037,399 2.366,400 0.599,401 -0.34,402 -0.447,404 -0.78,405 -0.298,406 0.797,407 -0.179,408 2.359,409 0.302,410 -0.515,411 -0.621,413 -1.242,414 -0.348,415 0.583,416 -0.782,417 2,418 0.067,419 -0.862,420 -1.185,422 -2.303,423 -0.752,424 0.15,425 -1.055,426 2,427 -0.314,428 -1.178,429 -1.632,431 -3.219,432 -0.994,433 0.019,434 -1.119,435 1.752,436 -0.401,437 -1.309,438 -1.75,440 -3.358,441 -1.199,442 -0.127,443 -1.338,444 1.372,445 -0.555,446 -1.493,447 -1.951,449 -4.043,450 -1.325,451 9.267,452 0.515,453 0.507,454 0.028,455 27,456 1.5,457 15,458 0.833,459 12,460 0.667,461 11.533,462 0.641,463 17.733,464 0.657,465 16.185,466 0.899,467 5.193,468 0.289,469 3.472,470 0.193,471 0.223,473 0.378,479 1.096,480 1.055,481 0.47,482 0.568,483 1.152,484 0.602,485 0.574,486 1,487 0.538,488 0.841,489 0.556,490 0.791,491 0.918,492 1.159,493 0.51,494 0.829,495 0.911,496 0.92,497 0.908,498 1.231,499 0.741,500 1.099,501 0.981,502 1.15,503 1.245,504 0.934,505 0.855,506 0.989,507 1.294,508 1.129,509 0.855,510 0.976,511 0.608,512 0.73,513 0.82,514 0.882,515 1.57,516 0.816,517 1.522,518 1.047,519 1.631,520 1.058,521 0.752,522 0.511,523 2.347,524 1.394,525 0.705,526 1.032,527 3.5,529 2.444,530 1.625,531 1.152,532 0.622,533 0.228,534 0.239,535 0.037,536 0.016,537 2541,538 9248,539 2.086,540 33.3,542 3,543 1,544 1,545 4,550 1.592,551 1.929,552 2.805,553 2.105,557 1,559 48.833,560 1.809,561 3.825,562 4.505,563 4.681,564 4.681,565 4.681,566 2.197,567 4.059,568 4.145,569 2.867,570 438.727,571 7.058,572 3980.68,573 1,574 1,576 1,577 128.382,578 1.481,579 4.09,580 0.175,582 0.084,583 0.056,584 0.044,585 0.033,586 0.014,587 0.027,588 0.009,589 0.016,590 0.458,591 0.33,592 1,593 0.662,594 74.166,595 -0.274,596 0.041,597 -0.016,598 0.136,599 -0.312,600 0.123,601 0.148,602 0.066,603 0.039,604 -0.082,605 0.077,606 -0.007,607 -0.105,608 -0.182,609 0.016,610 -0.039,611 -0.063,612 -0.051,613 0.051,614 -0.267,615 -0.033,616 -0.244,617 0.04,618 -0.25,619 -0.164,620 0.032,621 -0.099,622 -0.092,623 -0.211,624 -0.16,625 0.243,626 -0.037,627 0.085,628 0.169,629 0.341,630 0.133,631 -0.359,632 0.118,633 -0.04,634 0.132,635 -0.402,636 0.032,637 0.257,638 0.228,639 0.079,640 0.226,641 0.222,642 0.384,643 1.467,644 3.937,645 0.833,646 9.778,647 1.023,648 1.122,649 1.908,650 3.639,651 0.745,652 3.045,653 3.401,654 3.714,655 4.025,656 4.205,657 4.263,658 4.277,659 4.369,660 4.277,661 4.127,662 4.155,663 0.719,664 305.15,665 3.045,666 4.595,667 5.468,668 6.372,669 7.263,670 8.173,671 9.071,672 9.983,673 10.884,674 11.797,675 14.8,679 1,683 1,685 2,687 2,688 5,689 2,690 1,693 5,695 16,705 1,711 1,713 1,714 27,716 16,717 1,718 20,719 1,720 29,721 12,722 12,723 3,724 3,730 3,731 4,745 12,761 1,764 9,765 4,766 4,767 6,768 1,773 4,777 0.667,778 1,787 1,788 1,792 1,793 2,796 1,819 2,822 1,827 18,828 1,832 1,846 1,847 3.7,849 1,854 9.333,855 4.743,856 3.889,857 1.4,858 3.223,859 1.49,860 1.024,861 2.724,862 9.797,863 3.367,864 4.073,865 4.755,866 5.428,867 5.964,868 6.323,869 6.718,870 7.17,871 7.379,872 7.618,873 0.8,874 29,875 6.578,877 2.841,878 7.884,879 12.256,881 10.049,883 2.384,884 42.917,885 0.001,888 58.856,889 62.137,890 129.208,892 42.683,895 108.091,896 101.539,897 83.254,900 70.373,901 88.026,902 34.777,903 18.441,904 81.267,906 58.856,907 145.391,908 42.683,910 45.954,911 58.856,912 42.683,915 28.03,916 83.79,917 33.571,918 45.954,919 58.856,920 125.937,921 108.091,924 58.856,925 15.614,926 46.524,927 62.74,928 109.152,929 58.856,930 125.937,931 108.091,933 0.592,934 0.356,935 0.202,936 0.106,937 16,938 7,939 0.034,940 1,941 1,942 1.133,943 2.968,944 136.461,945 0.133,946 15,947 75.059,951 11.503,952 4.262,953 1.889,954 1.558,955 109.152,956 8.707,957 8.116,958 3.086,961 2.471,963 92.366,964 292.884,965 28,975 27.614,976 30.29,977 0.38,978 0.804,979 0.947,980 0.984,981 0.984,982 0.984,983 4.595,984 0.756,985 5.476,986 2.65,987 4.078,988 4.758,990 6.34,991 3.955,992 5.849,993 -0.027,994 7.069,995 1.823,996 3.761,997 4.691,999 7.361,1000 3.57,1001 7.188,1002 -0.34,1003 8.765,1004 -0.065,1005 5.714,1006 7.101,1008 10.508,1009 5.53,1010 8.567,1011 -0.515,1012 10.521,1013 -0.78,1014 6.217,1015 7.879,1017 12.39,1018 6.01,1019 9.98,1020 -0.862,1021 12.318,1022 -1.242,1023 7.669,1024 9.758,1026 15.07,1027 7.458,1028 11.417,1029 -1.178,1030 14.144,1031 -2.303,1032 8.545,1033 10.936,1035 17.294,1036 8.327,1037 12.874,1038 -1.309,1039 15.991,1040 -3.219,1041 9.81,1042 12.6,1044 19.82,1045 9.582,1046 3.26,1047 -1.493,1048 17.855,1049 -3.358,1050 10.852,1051 13.967,1053 22.18,1054 10.617,1055 2.783,1056 11.664,1057 19.731,1058 -4.043,1059 12.049,1060 15.544,1062 24.655,1063 11.803,1064 2.204,1065 8.991,1066 21.618,1067 4.639,1068 13.163,1069 16.998,1071 27.069,1072 12.908,1073 1.994,1074 6.266,1075 23.513,1076 3.875,1077 14.339,1078 18.542,1080 29.528,1081 14.071,1082 1.732,1083 5.677,1084 25.414,1085 2.961,1086 15.485,1087 20.035,1089 31.965,1090 15.205,1091 1.346,1092 4.798,1093 27.321,1094 2.806,1095 16.656,1096 21.567,1098 34.42,1099 16.363,1100 1.057,1101 3.356,1102 29.231,1103 2.406,1104 17.816,1105 23.079,1107 36.867,1108 17.511,1109 2519,1110 4898,1111 13.235,1112 20.114,1113 30.734,1114 30.716,1115 32.053,1116 30.508,1117 30.264,1118 42.519,1120 90.452,1121 28.063,1122 5.353,1123 5.306,1124 6.477,1125 5.311,1126 5.26,1127 7.639,1129 19.069,1130 5.202,1131 8.429,1132 1.537,1133 1.536,1134 1.603,1135 1.525,1136 1.513,1137 2.126,1139 4.523,1140 1.403,1141 4.141,1142 4.17,1143 6.88,1144 4.056,1145 6.47,1146 4.066,1147 3.786,1148 3.834,1149 4.105,1150 3.652,1151 5.199,1152 3.662,1153 3.383,1154 3.439,1155 3.676,1156 3.242,1157 4.888,1158 3.24,1159 3.018,1160 3.105,1161 3.274,1162 2.88,1163 4.704,1164 2.865,1165 2.976,1166 3.041,1167 2.905,1168 2.742,1169 4.24,1170 2.715,1171 2.733,1172 2.771,1173 2.793,1174 2.568,1175 3.857,1176 2.577,1177 2.425,1178 2.502,1179 2.432,1180 2.277,1181 3.611,1182 2.262,1183 2.292,1184 2.401,1185 2.243,1186 1.915,1187 3.324,1188 1.935,1189 0.234,1190 0.165,1191 0.347,1192 0.212,1193 0.163,1194 4.687,1195 0.232,1196 3.306,1198 6.933,1199 0.583,1200 4.242,1201 0.16,1202 3.26,1203 4.639,1205 11.664,1206 3.202,1207 1.942,1208 1.926,1209 2.009,1210 2.028,1211 1.159,1212 2.022,1213 1.762,1214 1.722,1215 1.825,1216 1.931,1217 0.882,1218 1.909,1219 1.375,1220 1.316,1221 1.502,1222 1.613,1223 0.478,1224 1.592,1225 1.005,1226 0.959,1227 1.187,1228 1.262,1229 0.26,1230 1.251,1231 0.859,1232 0.75,1233 1.131,1234 1.147,1235 0.021,1236 1.159,1237 0.766,1238 0.721,1239 1.019,1240 1.069,1242 1.044,1243 0.586,1244 0.547,1245 0.633,1246 0.75,1248 0.773,1249 0.095,1251 0.586,1252 0.566,1254 0.585,1255 3.714,1257 5.056,1258 2.398,1259 6.603,1260 4.727,1261 8.246,1262 6.862,1263 9.939,1264 3.164,1269 5.877,1270 9.937,1280 19.406,1281 48.833,1282 103.263,1283 121.627,1284 126.382,1285 126.382,1286 126.382,1287 23.299,1288 6.574,1289 87.82,1290 87.82,1291 17,1292 12.313,1293 4.087,1294 3.17,1295 25.569,1296 44,1297 46,1298 0.298,1299 126.294,1300 199.97,1301 299.917,1302 5182,1303 3.7,1304 12.698,1305 0.705,1306 0.598,1307 13.698,1308 10.77,1309 8.665,1310 0.433,1311 0.302,1312 5.215,1313 7.839,1314 5.079,1315 4.193,1316 9.242,1317 6.033,1318 8.046,1319 0.277,1320 0.157,1321 8.863,1322 4.549,1323 6.849,1324 0.171,1325 0.079,1326 7.373,1327 3.145,1328 6.083,1329 0.111,1330 0.041,1331 6.622,1332 2.251,1333 4.582,1334 0.069,1335 0.021,1336 4.949,1337 1.419,1338 0.439,1339 62.542,1340 0.275,1341 17.515,1342 0.906,1343 98,1344 295.739,1345 176.373,1346 330.61,1347 445.33,1348 306,1349 118,1350 309.862,1351 154.752,1352 329.12,1353 484.34,1354 309,1355 5} {0 CHEMBL1829959,1 1.603,2 6.444,3 2.05,4 4.201,5 69.683,6 8.01,7 0.8,8 3.542,9 3.664,10 3.173,11 3.065,12 4.75,13 3.078,14 3.995,15 4.149,16 3.511,17 3.425,18 5.178,19 3.422,20 4.108,21 4.279,22 3.522,23 3.504,24 5.206,25 3.483,26 4.14,27 4.306,28 3.492,29 3.5,30 5.259,31 3.46,32 4.202,33 4.415,34 3.318,35 3.435,36 5.24,37 3.355,38 4.122,39 4.372,40 3.112,41 3.238,42 5.152,43 3.144,44 3.916,45 4.204,46 2.716,47 2.905,48 4.939,49 2.778,50 3.49,51 3.782,52 2.017,53 2.424,54 4.439,55 2.246,56 0.052,57 0.479,58 5.449,59 2.29,60 7.535,61 2.827,62 0.195,63 0.718,64 9.898,65 3.919,66 18.531,67 4.838,68 0.143,69 0.787,70 11.216,71 4.271,72 13.919,73 5.497,74 0.177,75 0.792,76 11.438,77 4.676,78 14.638,79 5.999,80 0.222,81 0.791,82 13.836,83 5.049,84 20.762,85 6.838,86 0.223,87 0.722,88 13.573,89 4.393,90 21.704,91 6.212,92 0.277,93 0.534,94 12.353,95 3.536,96 26.809,97 5.308,98 0.133,99 0.339,100 8.041,101 2.364,102 16.111,103 3.485,104 6,105 28,106 0.301,107 0.703,108 0.83,109 0.88,110 0.88,111 0.88,112 2.963,113 0.829,114 -2.6,115 -2.62,116 -2.55,119 43.3,124 1,140 4,141 2,142 1,143 1,144 1,148 1,149 1,150 1,161 1,162 1,163 1,169 3,171 1,172 5,173 2,174 2,176 3,178 4,182 3,186 1,189 4,193 2,195 2,197 4,199 1,201 2,202 1,203 4,208 1,211 2,213 1,215 1,218 1,219 1,221 1,222 1,225 1,226 2,228 1,229 1,231 2,235 2,237 1,242 1,246 1,259 342,260 12.439,261 12.439,262 12.439,263 12.439,264 12.439,265 10.576,266 7.476,267 7.304,268 12.828,269 9.819,270 9.819,271 9.819,272 9.819,273 9.819,274 7.006,275 7.151,276 3.356,277 10.35,278 3.304,279 1.167,280 0.492,281 0.225,282 0.225,283 0.225,284 3.641,288 1,289 1,290 249,291 2,294 31.685,295 88.512,298 61.225,302 1,303 12.657,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 39,315 116,316 4.676,317 3.307,318 6.908,319 4.221,320 3.242,321 4.633,322 0.86,323 11.615,324 3.174,325 4.051,326 2.738,327 5.904,328 3.589,329 2.642,330 3.677,332 8.244,333 2.505,334 3.534,335 2.408,336 5.187,337 3.099,338 2.172,339 2.906,341 6.162,342 2.008,343 3.451,344 2.137,345 5.029,346 2.981,347 2.042,348 2.832,350 5.913,351 1.91,352 2.965,353 1.513,354 4.359,355 2.475,356 1.492,357 2.178,359 3.901,360 1.463,361 2.683,362 1.265,363 3.825,364 2.171,365 1.208,366 1.768,368 2.742,369 1.161,370 2.5,371 1.17,372 3.473,373 1.952,374 1,375 1.5,377 2.458,378 0.95,379 2.236,380 1,381 3.375,382 1.762,383 0.862,384 1.141,386 1.974,387 0.77,388 1.56,389 0.579,390 2.738,391 1.216,392 0.319,393 0.388,395 0.523,396 0.284,397 0.953,398 -0.245,399 2.417,400 0.53,401 -0.398,402 -0.504,404 -0.884,405 -0.368,406 0.777,407 -0.311,408 2.246,409 0.323,410 -0.625,411 -0.803,413 -1.292,414 -0.58,415 0.735,416 -0.618,417 2,418 0.311,419 -0.634,420 -0.858,422 -1.754,423 -0.601,424 0.5,425 -1,426 2,427 -0.03,428 -1,429 -1.5,431 -2.682,432 -0.967,433 0.026,434 -1.193,435 1.721,436 -0.398,437 -1.337,438 -1.804,440 -3.402,441 -1.237,442 -0.108,443 -1.278,444 1.521,445 -0.552,446 -1.475,447 -1.921,449 -3.998,450 -1.34,451 8.433,452 0.469,453 0.38,454 0.021,455 27.25,456 1.514,457 15,458 0.833,459 12.25,460 0.681,461 9.883,462 0.549,463 18.567,464 0.619,465 17.164,466 0.954,467 5.591,468 0.311,469 3.201,470 0.178,471 0.107,473 0.356,479 1.037,480 1.228,481 0.747,482 0.956,483 1.143,484 0.817,485 1.097,486 0.858,487 0.782,488 0.8,489 0.737,490 0.763,491 1.105,492 1.069,493 0.914,494 0.961,495 0.905,496 0.907,497 0.935,498 1.156,499 1.023,500 1.224,501 0.876,502 1.161,503 0.99,504 1.16,505 1.092,506 1.172,507 0.882,508 1.166,509 0.958,510 1.04,511 1.121,512 1.127,513 1.029,514 1.144,515 0.886,516 0.808,517 1.043,518 0.868,519 0.982,520 0.956,521 1.166,522 1.094,523 1.28,524 1.135,525 1.435,526 1.217,527 3,529 2,530 1.313,531 1.046,532 0.438,533 0.279,534 0.146,535 0.041,537 2553,538 7332,539 2.12,540 40,542 7,543 1,544 1,545 3,550 1.593,551 2,552 2.768,553 1.197,555 1,556 1,557 1,559 48.081,560 1.603,561 3.74,562 4.415,563 4.682,564 4.682,565 4.682,566 2.171,567 4.059,568 4.144,569 2.844,570 435.061,571 7.063,572 4004.85,573 1,574 1,576 1,577 147.207,578 1.352,579 4.109,580 0.15,582 0.071,583 0.047,584 0.04,585 0.021,586 0.017,587 0.015,588 0.01,590 0.372,591 0.67,592 1,593 0.816,594 74.25,595 -0.149,596 -0.087,597 0.028,598 0.005,599 -0.249,600 0.048,601 -0.005,602 0.208,603 0.082,604 0.172,605 0.125,606 0.136,607 -0.173,608 -0.02,609 -0.046,610 0.01,611 -0.103,612 0.012,613 0.035,614 -0.137,615 -0.154,616 -0.242,617 -0.047,618 -0.235,619 -0.032,620 -0.223,621 -0.138,622 -0.185,623 -0.015,624 -0.188,625 -0.02,626 -0.096,627 -0.113,628 -0.185,629 -0.047,630 -0.17,631 0.152,632 0.064,633 0.062,634 0.079,635 0.173,636 0.063,637 -0.167,638 -0.262,639 -0.172,640 -0.178,641 -0.165,642 -0.183,643 1.406,644 1.884,645 0.833,646 10,647 1.009,648 1.129,649 1.369,650 1.874,651 0.684,652 3.045,653 3.367,654 3.689,655 4.007,656 4.205,657 4.234,658 4.304,659 4.357,660 4.263,661 4.19,662 4.159,663 0.664,664 240.29,665 3.045,666 4.575,667 5.442,668 6.337,669 7.226,670 8.129,671 9.026,672 9.932,673 10.833,674 11.739,675 13.3,679 1,683 1,685 2,687 2,688 6,689 2,690 1,693 4,695 16,705 1,712 1,714 30,716 16,717 1,718 20,720 32,721 13,722 12,723 3,724 3,730 3,731 4,745 12,746 1,761 1,764 12,765 4,766 3,767 5,773 4,777 0.667,778 1,787 1,788 1,792 1,793 2,796 1,819 2,823 1,827 18,828 1,835 1,847 3.3,852 1,854 9,855 5.65,856 4.028,857 1.571,858 3.194,859 1.486,860 1.033,861 2.647,862 9.771,863 3.367,864 4.039,865 4.728,866 5.408,867 5.952,868 6.293,869 6.727,870 7.154,871 7.35,872 7.636,873 1,874 28,875 6.565,877 2.746,878 7.722,879 12.419,881 9.957,883 2.222,884 40,885 0.001,888 105.94,889 84.685,890 83.254,892 11,895 84.685,896 116.94,897 83.254,898 10.883,900 79.85,901 45.342,902 50.592,903 15.814,904 82.398,906 105.94,907 167.939,908 11,911 105.94,912 11,915 30.489,916 103.879,917 33.571,919 105.94,920 94.254,921 84.685,924 105.94,925 17.802,926 66.883,927 16.786,928 77.468,929 105.94,930 94.254,931 84.685,933 0.574,934 0.352,935 0.207,936 0.113,937 15,938 6,939 0.063,940 2,941 1,942 1.133,943 3.005,944 135.113,945 0.133,946 15,947 75.059,951 11.05,952 4.312,953 1.841,954 2,955 77.468,956 11.22,957 8.13,958 3.2,961 2.799,963 49.683,964 284.878,965 28,975 30.269,976 33.863,977 0.327,978 0.762,979 0.9,980 0.954,981 0.954,982 0.954,983 4.575,984 0.862,985 5.425,986 2.458,987 4.043,988 4.723,989 0.908,990 6.271,991 3.951,992 5.805,993 0.319,994 6.999,995 1.974,996 3.611,997 4.559,999 7.265,1000 3.496,1001 7.128,1002 -0.398,1003 8.678,1004 0.523,1005 5.652,1006 7.044,1007 0.739,1008 10.415,1009 5.496,1010 8.497,1011 -0.625,1012 10.422,1013 -0.884,1014 6.089,1015 7.774,1017 12.299,1018 5.92,1019 9.901,1020 -0.634,1021 12.21,1022 -1.292,1023 7.583,1024 9.689,1025 0.593,1026 14.972,1027 7.386,1028 11.331,1029 -1,1030 14.029,1031 -1.754,1032 8.423,1033 10.846,1035 17.206,1036 8.218,1037 12.783,1038 -1.337,1039 15.872,1040 -2.682,1041 9.705,1042 12.527,1043 0.469,1044 19.729,1045 9.478,1046 3.242,1047 -1.475,1048 17.732,1049 -3.402,1050 10.73,1051 13.888,1053 22.098,1054 10.492,1055 2.642,1056 11.615,1057 19.606,1058 -3.998,1059 11.934,1060 15.475,1061 0.366,1062 24.572,1063 11.678,1064 2.172,1065 8.244,1066 21.491,1067 4.633,1068 13.04,1069 16.928,1071 26.992,1072 12.771,1073 2.042,1074 6.162,1075 23.384,1076 3.677,1077 14.218,1078 18.478,1079 0.283,1080 29.45,1081 13.931,1082 1.492,1083 5.913,1084 25.285,1085 2.906,1086 15.361,1087 19.974,1089 31.889,1090 15.058,1091 1.208,1092 3.901,1093 27.192,1094 2.832,1095 16.532,1096 21.511,1097 0.217,1098 34.343,1099 16.211,1100 1,1101 2.742,1102 29.103,1103 2.178,1104 17.691,1105 23.026,1107 36.79,1108 17.352,1109 2528,1110 4369,1111 13.523,1112 20.523,1113 30.109,1114 30.325,1115 31.32,1116 29.924,1117 29.959,1118 42.049,1119 1.72,1120 87.066,1121 28.452,1122 5.334,1123 5.307,1124 6.503,1125 5.293,1126 5.242,1127 7.633,1128 1.72,1129 18.834,1130 5.174,1131 7.076,1132 1.505,1133 1.516,1134 1.566,1135 1.496,1136 1.498,1137 2.102,1138 0.086,1139 4.353,1140 1.423,1141 4.141,1142 4.17,1143 4.109,1144 4.052,1145 5.239,1146 4.063,1147 3.784,1148 3.84,1149 3.742,1150 3.622,1151 4.996,1152 3.643,1153 3.417,1154 3.472,1155 3.321,1156 3.239,1157 4.618,1158 3.25,1159 3.231,1160 3.296,1161 3.072,1162 2.984,1163 4.53,1164 2.996,1165 3.03,1166 3.14,1167 2.876,1168 2.76,1169 4.195,1170 2.78,1171 2.843,1172 2.915,1173 2.697,1174 2.674,1175 3.903,1176 2.664,1177 2.561,1178 2.641,1179 2.45,1180 2.359,1181 3.538,1182 2.373,1183 2.403,1184 2.479,1185 2.24,1186 2.247,1187 3.405,1188 2.239,1189 0.234,1190 0.165,1191 0.345,1192 0.211,1193 0.162,1194 4.676,1195 0.232,1196 3.307,1197 0.043,1198 6.908,1199 0.581,1200 4.221,1201 0.159,1202 3.242,1203 4.633,1204 0.86,1205 11.615,1206 3.174,1207 1.941,1208 1.925,1209 2.012,1210 2.034,1211 1.164,1212 2.026,1213 1.76,1214 1.714,1215 1.854,1216 1.945,1217 0.866,1218 1.921,1219 1.402,1220 1.341,1221 1.593,1222 1.653,1223 0.584,1224 1.633,1225 1.177,1226 1.1,1227 1.519,1228 1.483,1229 0.52,1230 1.504,1231 1.022,1232 0.96,1233 1.261,1234 1.305,1235 0.281,1236 1.308,1237 0.928,1238 0.833,1239 1.169,1240 1.142,1241 0.027,1242 1.157,1243 0.657,1244 0.592,1245 0.946,1246 0.855,1248 0.89,1249 0.397,1250 0.316,1251 0.66,1252 0.671,1254 0.666,1255 3.714,1257 5.03,1258 2.398,1259 6.561,1260 4.727,1261 8.191,1262 6.862,1263 9.873,1265 1.653,1269 5.616,1273 5.384,1280 19.908,1281 48.081,1282 112.187,1283 132.452,1284 140.452,1285 140.452,1286 140.452,1287 17.903,1288 6.576,1289 76.82,1290 76.82,1291 17,1292 12.258,1293 4.087,1294 3.17,1295 25.521,1296 44,1297 40,1298 0.297,1299 123.972,1300 197.99,1301 294.252,1302 5244,1304 12.535,1305 0.696,1306 0.547,1307 12.535,1308 9.844,1309 8.792,1310 0.44,1311 0.276,1312 5.423,1313 8.399,1314 5.29,1315 4.415,1316 8.792,1317 5.523,1318 7.71,1319 0.275,1320 0.139,1321 7.71,1322 3.885,1323 6.711,1324 0.172,1325 0.073,1326 6.711,1327 2.838,1328 5.943,1329 0.11,1330 0.038,1331 5.943,1332 2.047,1333 4.745,1334 0.072,1335 0.02,1336 4.745,1337 1.327,1338 0.436,1339 55.473,1340 0.272,1341 17.54,1342 0.905,1343 96,1344 284.671,1345 105.567,1346 278.035,1347 389.78,1348 262,1349 115,1350 296.644,1351 124.318,1352 302.568,1353 442.39,1354 284,1355 5} {0 CHEMBL1829961,1 1.809,2 7,3 2.244,4 5.035,5 71.152,6 9.656,7 0.8,8 3.464,9 3.572,10 3.23,11 3.038,12 4.757,13 3.055,14 3.883,15 4.003,16 3.652,17 3.42,18 5.207,19 3.423,20 4.064,21 4.209,22 3.653,23 3.516,24 5.298,25 3.494,26 4.128,27 4.29,28 3.624,29 3.453,30 5.457,31 3.421,32 4.111,33 4.326,34 3.331,35 3.279,36 5.313,37 3.217,38 3.874,39 4.099,40 3.242,41 3.03,42 5.237,43 2.976,44 3.619,45 3.854,46 2.957,47 2.729,48 4.853,49 2.633,50 3.073,51 3.333,52 2.553,53 2.213,54 4.325,55 2.035,56 0.117,57 0.432,58 3.314,59 1.903,60 12.669,61 1.831,62 0.207,63 0.645,64 5.982,65 3.13,66 16.078,67 3.461,68 0.204,69 0.73,70 7.801,71 4.182,72 20.189,73 4.645,74 0.313,75 0.742,76 10.508,77 4.456,78 29.822,79 5.025,80 0.394,81 0.71,82 13.829,83 4.442,84 38.832,85 4.954,86 0.338,87 0.535,88 10.393,89 3.527,90 37.975,91 4.369,92 0.291,93 0.369,94 10.39,95 2.676,96 31.118,97 2.843,98 0.2,99 0.166,100 8.677,101 2.087,102 22.361,103 2.588,104 10,105 29,106 0.347,107 0.734,108 0.865,109 0.899,110 0.899,111 0.899,112 2.963,113 0.843,114 -3,115 -3.01,116 -2.9,119 44.4,140 3,141 3,142 1,143 1,145 1,148 1,149 1,150 1,161 1,162 1,163 1,169 4,171 1,172 4,173 1,174 1,176 6,178 4,180 1,182 2,186 5,189 3,191 1,193 2,194 1,195 1,196 1,197 5,199 4,201 2,206 2,207 1,210 1,211 2,215 4,218 2,219 1,220 2,221 1,222 1,224 2,226 2,231 2,235 1,242 1,244 2,256 1,259 336,260 12.069,261 12.069,262 12.069,263 12.069,264 12.069,265 10.101,266 6.92,267 6.951,268 12.468,269 9.849,270 9.849,271 9.849,272 9.849,273 9.849,274 6.967,275 5.57,276 3.266,277 10.569,278 2.946,279 0.93,280 0.25,281 0.074,282 0.074,283 0.074,284 3.636,286 1,288 1,289 1,290 272,291 1.871,294 31.818,295 89.349,298 61.222,302 0.889,303 19.358,306 1,307 1,308 1,309 0.4,311 1,312 1,313 0.77,314 39.333,315 126,316 4.687,317 3.307,318 6.933,319 4.242,320 3.26,321 4.639,323 11.664,324 3.202,325 4.197,326 2.998,327 6.188,328 3.728,329 2.783,330 3.875,332 8.991,333 2.643,334 3.574,335 2.612,336 5.185,337 3.07,338 2.204,339 2.961,341 6.266,342 1.918,343 3.42,344 2.189,345 5.033,346 2.931,347 1.994,348 2.806,350 5.677,351 1.845,352 3.143,353 1.85,354 4.732,355 2.655,356 1.732,357 2.406,359 4.798,360 1.514,361 2.8,362 1.378,363 4.061,364 2.307,365 1.346,366 1.931,368 3.356,369 1.29,370 2.547,371 1.089,372 3.78,373 2.02,374 1.057,375 1.57,377 2.65,378 1.007,379 2.199,380 0.862,381 3.315,382 1.683,383 0.756,384 1.071,386 1.823,387 0.694,388 1.284,389 0.371,390 2.683,391 0.855,392 -0.027,393 -0.034,395 -0.065,396 -0.021,397 1.038,398 -0.032,399 2.366,400 0.599,401 -0.34,402 -0.447,404 -0.78,405 -0.309,406 0.797,407 -0.177,408 2.359,409 0.314,410 -0.515,411 -0.621,413 -1.242,414 -0.375,415 0.583,416 -0.78,417 2,418 0.074,419 -0.862,420 -1.185,422 -2.303,423 -0.769,424 0.15,425 -1.053,426 2,427 -0.303,428 -1.178,429 -1.632,431 -3.219,432 -1.01,433 0.019,434 -1.118,435 1.752,436 -0.397,437 -1.309,438 -1.75,440 -3.358,441 -1.2,442 -0.127,443 -1.337,444 1.372,445 -0.554,446 -1.493,447 -1.951,449 -4.043,450 -1.33,451 8.648,452 0.48,453 0.507,454 0.028,455 27.25,456 1.514,457 15,458 0.833,459 12.25,460 0.681,461 10.337,462 0.574,463 18.352,464 0.68,465 17.38,466 0.966,467 5.443,468 0.302,469 3.222,470 0.179,471 0.167,473 0.405,479 1.022,480 1.094,481 0.569,482 0.656,483 1.084,484 0.629,485 0.524,486 0.952,487 0.548,488 0.897,489 0.513,490 0.808,491 0.87,492 1.201,493 0.656,494 0.994,495 0.866,496 0.966,497 0.875,498 1.222,499 0.872,500 1.215,501 0.933,502 1.177,503 1.203,504 0.932,505 1.095,506 1.043,507 1.264,508 1.139,509 0.83,510 1.021,511 0.741,512 0.843,513 0.798,514 0.923,515 1.564,516 0.806,517 1.436,518 0.904,519 1.647,520 1.036,521 0.912,522 0.512,523 1.614,524 0.985,525 0.759,526 0.942,527 3.5,529 2.444,530 1.625,531 1.152,532 0.622,533 0.228,534 0.239,535 0.037,536 0.016,537 2541,538 9248,539 2.086,540 33.3,542 3,543 1,544 1,545 4,550 1.592,551 1.929,552 2.805,553 2.105,557 1,559 48.833,560 1.809,561 3.825,562 4.505,563 4.681,564 4.681,565 4.681,566 2.197,567 4.059,568 4.145,569 2.867,570 438.727,571 7.058,572 3980.68,573 1,574 1,576 1,577 128.382,578 1.481,579 4.09,580 0.175,582 0.084,583 0.056,584 0.044,585 0.033,586 0.014,587 0.027,588 0.009,589 0.016,590 0.458,591 0.5,592 1,593 0.662,594 74.166,595 -0.253,596 0.027,597 -0.037,598 0.166,599 -0.297,600 0.129,601 0.181,602 0.14,603 0.072,604 -0.043,605 0.115,606 0.003,607 -0.097,608 -0.204,609 0.005,610 -0.086,611 -0.058,612 -0.066,613 0.049,614 -0.249,615 -0.074,616 -0.295,617 0.048,618 -0.259,619 -0.173,620 0.027,621 -0.188,622 -0.099,623 -0.226,624 -0.157,625 0.205,626 -0.092,627 0.175,628 0.125,629 0.3,630 0.109,631 -0.318,632 0.098,633 -0.089,634 0.131,635 -0.392,636 0.014,637 0.31,638 0.183,639 0.334,640 0.292,641 0.375,642 0.379,643 1.569,644 3.92,645 0.833,646 9.778,647 1.026,648 1.126,649 1.775,650 3.15,651 0.727,652 3.045,653 3.401,654 3.714,655 4.025,656 4.205,657 4.263,658 4.277,659 4.369,660 4.277,661 4.127,662 4.155,663 0.711,664 260.7,665 3.045,666 4.595,667 5.468,668 6.372,669 7.263,670 8.173,671 9.071,672 9.983,673 10.884,674 11.797,675 14.8,679 1,683 1,685 2,687 2,688 5,689 2,690 1,693 5,695 16,705 1,711 1,713 1,714 27,716 16,717 1,718 20,720 29,721 12,722 12,723 3,724 3,730 3,731 4,732 1,745 12,761 1,764 9,765 4,766 4,767 6,768 1,773 4,777 0.667,778 1,787 1,788 1,792 1,793 2,796 1,819 2,824 1,827 18,828 1,832 1,846 1,847 3.7,849 1,854 9.333,855 4.743,856 3.889,857 1.4,858 3.223,859 1.49,860 1.016,861 2.612,862 9.797,863 3.367,864 4.073,865 4.755,866 5.428,867 5.964,868 6.323,869 6.718,870 7.17,871 7.379,872 7.618,873 0.8,874 29,875 6.569,877 2.853,878 7.96,879 12.146,881 9.963,883 2.46,884 44.278,885 0.001,888 58.856,889 62.583,890 83.254,891 39.149,892 42.683,895 62.583,896 140.687,897 83.254,900 70.373,901 88.026,902 34.777,903 58.035,904 35.313,906 58.856,907 145.836,908 42.683,909 39.149,911 58.856,912 42.683,915 28.476,916 83.79,917 33.571,918 39.149,919 58.856,920 125.937,921 101.731,924 58.856,925 16.059,926 46.524,927 16.786,928 148.3,929 58.856,930 125.937,931 101.731,933 0.592,934 0.356,935 0.202,936 0.106,937 16,938 7,939 0.034,940 1,941 1,942 1.133,943 2.968,944 136.461,945 0.133,946 15,947 75.059,951 11.319,952 4.154,953 1.83,954 1.509,955 109.152,956 8.547,957 7.814,958 3.065,961 1.932,963 92.366,964 286.524,965 28,975 27.709,976 30.392,977 0.38,978 0.804,979 0.947,980 0.984,981 0.984,982 0.984,983 4.595,984 0.756,985 5.476,986 2.65,987 4.078,988 4.758,990 6.34,991 3.962,992 5.849,993 -0.027,994 7.069,995 1.823,996 3.761,997 4.691,999 7.361,1000 3.584,1001 7.188,1002 -0.34,1003 8.765,1004 -0.065,1005 5.714,1006 7.101,1008 10.508,1009 5.536,1010 8.567,1011 -0.515,1012 10.521,1013 -0.78,1014 6.217,1015 7.879,1017 12.39,1018 6.017,1019 9.98,1020 -0.862,1021 12.318,1022 -1.242,1023 7.669,1024 9.758,1026 15.07,1027 7.462,1028 11.417,1029 -1.178,1030 14.144,1031 -2.303,1032 8.545,1033 10.936,1035 17.294,1036 8.331,1037 12.874,1038 -1.309,1039 15.991,1040 -3.219,1041 9.81,1042 12.6,1044 19.82,1045 9.585,1046 3.26,1047 -1.493,1048 17.855,1049 -3.358,1050 10.852,1051 13.967,1053 22.18,1054 10.62,1055 2.783,1056 11.664,1057 19.731,1058 -4.043,1059 12.049,1060 15.544,1062 24.655,1063 11.805,1064 2.204,1065 8.991,1066 21.618,1067 4.639,1068 13.163,1069 16.998,1071 27.069,1072 12.91,1073 1.994,1074 6.266,1075 23.513,1076 3.875,1077 14.339,1078 18.542,1080 29.528,1081 14.073,1082 1.732,1083 5.677,1084 25.414,1085 2.961,1086 15.485,1087 20.035,1089 31.965,1090 15.207,1091 1.346,1092 4.798,1093 27.321,1094 2.806,1095 16.656,1096 21.567,1098 34.42,1099 16.365,1100 1.057,1101 3.356,1102 29.231,1103 2.406,1104 17.816,1105 23.079,1107 36.867,1108 17.512,1109 2519,1110 4898,1111 13.235,1112 19.619,1113 30.734,1114 30.776,1115 32.053,1116 30.471,1117 30.264,1118 42.519,1120 90.452,1121 28.225,1122 5.353,1123 5.307,1124 6.477,1125 5.311,1126 5.26,1127 7.639,1129 19.069,1130 5.202,1131 8.429,1132 1.537,1133 1.539,1134 1.603,1135 1.524,1136 1.513,1137 2.126,1139 4.523,1140 1.411,1141 4.141,1142 4.17,1143 4.122,1144 4.056,1145 6.47,1146 4.065,1147 3.789,1148 3.836,1149 3.914,1150 3.637,1151 5.249,1152 3.658,1153 3.383,1154 3.439,1155 3.411,1156 3.229,1157 4.889,1158 3.237,1159 3.021,1160 3.107,1161 3.212,1162 2.843,1163 4.865,1164 2.858,1165 2.977,1166 3.042,1167 2.891,1168 2.684,1169 4.287,1170 2.699,1171 2.741,1172 2.779,1173 2.762,1174 2.554,1175 4.172,1176 2.568,1177 2.425,1178 2.502,1179 2.285,1180 2.275,1181 3.706,1182 2.261,1183 2.292,1184 2.401,1185 2.188,1186 1.907,1187 3.549,1188 1.933,1189 0.234,1190 0.165,1191 0.347,1192 0.212,1193 0.163,1194 4.687,1195 0.232,1196 3.307,1198 6.933,1199 0.583,1200 4.242,1201 0.16,1202 3.26,1203 4.639,1205 11.664,1206 3.202,1207 1.942,1208 1.926,1209 2.009,1210 2.029,1211 1.159,1212 2.022,1213 1.761,1214 1.721,1215 1.83,1216 1.934,1217 0.88,1218 1.911,1219 1.373,1220 1.315,1221 1.506,1222 1.616,1223 0.472,1224 1.593,1225 1.004,1226 0.957,1227 1.187,1228 1.265,1229 0.256,1230 1.252,1231 0.857,1232 0.747,1233 1.137,1234 1.151,1235 0.021,1236 1.161,1237 0.765,1238 0.721,1239 1.019,1240 1.07,1242 1.045,1243 0.578,1244 0.537,1245 0.677,1246 0.77,1248 0.785,1249 0.095,1251 0.586,1252 0.566,1254 0.585,1255 3.714,1257 5.056,1258 2.398,1259 6.603,1260 4.727,1261 8.246,1262 6.862,1263 9.939,1266 5.668,1269 5.823,1270 9.92,1280 19.208,1281 48.833,1282 103.263,1283 121.627,1284 126.382,1285 126.382,1286 126.382,1287 23.773,1288 6.574,1289 87.82,1290 87.82,1291 17,1292 12.313,1293 4.087,1294 3.17,1295 25.569,1296 44,1297 46,1298 0.298,1299 122.713,1300 195.9,1301 291.179,1302 5182,1303 3.7,1304 12.698,1305 0.705,1306 0.552,1307 13.198,1308 9.94,1309 8.665,1310 0.433,1311 0.281,1312 5.196,1313 8.084,1314 5.079,1315 4.193,1316 8.953,1317 5.618,1318 8.046,1319 0.277,1320 0.144,1321 8.454,1322 4.178,1323 6.849,1324 0.171,1325 0.074,1326 7.111,1327 2.945,1328 6.083,1329 0.111,1330 0.038,1331 6.352,1332 2.098,1333 4.582,1334 0.069,1335 0.02,1336 4.765,1337 1.315,1338 0.439,1339 57.346,1340 0.275,1341 17.515,1342 0.906,1343 98,1344 303.288,1345 123.556,1346 330.61,1347 445.33,1348 306,1349 118,1350 312.992,1351 136.246,1352 329.12,1353 484.34,1354 309,1355 5} {0 CHEMBL1834226,1 1.845,2 8.591,3 3.446,4 11.875,5 87.751,6 8.363,7 0.261,8 3.802,9 3.916,10 3.633,11 3.355,12 4.831,13 3.294,14 4.361,15 4.54,16 3.907,17 3.715,18 5.649,19 3.633,20 4.577,21 4.798,22 3.953,23 3.791,24 5.698,25 3.685,26 4.558,27 4.768,28 4.061,29 3.716,30 5.819,31 3.633,32 4.549,33 4.758,34 4,35 3.701,36 5.888,37 3.63,38 4.523,39 4.717,40 3.7,41 3.695,42 5.751,43 3.611,44 4.516,45 4.739,46 3.587,47 3.68,48 5.608,49 3.552,50 4.461,51 4.708,52 3.432,53 3.653,54 5.425,55 3.464,56 0.115,57 0.637,58 10.449,59 3.99,60 16.083,61 4.869,62 0.416,63 0.96,64 18.366,65 6.645,66 55.762,67 8.413,68 0.427,69 1.084,70 28.975,71 7.974,72 49.407,73 10.237,74 0.618,75 1.046,76 29.858,77 6.892,78 65.239,79 8.54,80 0.711,81 1.017,82 31.591,83 7.244,84 86.333,85 8.566,86 0.505,87 0.98,88 27.022,89 7.472,90 76.705,91 8.735,92 0.525,93 0.939,94 24.701,95 7.374,96 71.924,97 9.517,98 0.331,99 0.846,100 25.048,101 8.402,102 47.675,103 11.004,104 31,105 32,106 0.329,107 0.643,108 0.817,109 0.878,110 0.878,111 0.878,112 3.147,113 1.169,114 -3.7,115 -3.67,116 -3.49,119 34.1,120 2,121 1,122 1,125 2,140 4,142 2,152 1,157 1,164 1,169 4,171 2,172 3,174 4,178 6,181 1,182 6,184 1,186 2,189 2,192 4,193 6,197 3,199 1,202 2,203 10,208 3,215 9,220 1,222 1,226 7,233 5,237 4,244 5,256 7,259 646,260 14.488,261 14.488,262 14.488,263 14.488,264 14.488,265 13.035,266 16.458,267 8.577,268 14.981,269 11.253,270 11.253,271 11.253,272 11.253,273 11.253,274 8.932,275 17.906,276 3.907,277 12.097,278 3.513,279 1.749,280 0.769,281 0.427,282 0.427,283 0.427,284 3.799,285 1,287 1,288 1,289 1,290 385,291 3.873,294 69.839,295 82.769,302 1.227,303 30.291,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 48.333,315 189,316 4.861,317 4.688,318 7.315,319 4.32,320 3.403,321 4.709,322 1.233,323 12.548,324 3.091,325 4.089,326 3.307,327 6.17,328 3.811,329 2.872,330 3.425,331 0.782,332 9.157,333 2.701,334 3.828,335 2.89,336 5.319,337 3.339,338 2.409,339 3.279,340 0.268,341 6.777,342 2.234,343 3.519,344 2.727,345 5.181,346 3.204,347 2.263,348 2.639,350 6.403,351 2.092,352 2.995,353 1.817,354 4.619,355 2.492,356 1.556,357 2.174,359 4.431,360 1.409,361 2.663,362 1.736,363 4.173,364 2.388,365 1.445,366 1.662,368 3.629,369 1.334,370 2.612,371 1.368,372 3.489,373 2.113,374 1.125,375 1.617,377 2.532,378 1.101,379 2.281,380 1.249,381 3.279,382 1.861,383 0.911,384 1.087,386 1.779,387 0.863,388 1.847,389 1.009,390 3.231,391 1.574,392 0.643,393 0.755,395 1.43,396 0.597,397 1.319,398 0.392,399 2.839,400 1.302,401 0.307,402 0.309,404 0.438,405 0.305,406 1,407 0.241,408 2.617,409 0.617,410 -0.335,411 -0.4,413 -0.637,414 -0.254,415 1,416 0.178,417 2.44,418 0.417,419 -0.406,420 -0.512,422 -0.898,423 -0.322,424 0.943,425 -0.122,426 2,427 0.17,428 -0.774,429 -0.93,431 -2.14,432 -0.701,433 0.675,434 -0.601,435 2,436 0.055,437 -0.9,438 -1.105,440 -2.306,441 -0.855,442 0.207,443 -1,444 1.854,446 -1,447 -1.286,449 -2.954,450 -1,451 10.814,452 0.492,453 0.628,454 0.029,455 25.75,456 1.17,457 12,458 0.545,459 13.75,460 0.625,461 19.07,462 0.867,463 25.186,464 0.614,465 18.885,466 0.858,467 4.785,468 0.218,469 5.673,470 0.258,471 0.22,472 0.077,473 0.222,479 0.498,480 1.517,481 0.72,482 1.29,483 0.662,484 1.036,485 0.573,486 1.081,487 0.731,488 0.918,489 0.525,490 0.928,491 1.014,492 1.129,493 0.968,494 1.033,495 0.903,496 0.932,497 1.266,498 1.191,499 0.864,500 0.878,501 1.268,502 0.867,503 1.228,504 0.988,505 1.153,506 1.067,507 1.109,508 0.842,509 1.677,510 1.083,511 1.174,512 1.085,513 1.808,514 1.023,515 1.235,516 0.91,517 0.907,518 0.914,519 1.436,520 1.06,521 0.67,522 0.967,523 0.876,524 1.065,525 0.743,526 1.136,527 6,528 0.037,529 2.889,530 1.722,531 1.615,532 0.826,533 0.453,534 0.316,535 0.154,536 0.09,537 4268,538 13367,539 1.933,540 46.3,541 5,542 8,544 1,545 1,546 1,547 3,550 1.65,551 1.772,552 3.086,553 -0.175,555 1,557 1,559 75.646,560 1.845,561 3.608,562 4.589,563 4.93,564 4.93,565 4.93,566 2.487,567 4.096,568 4.431,569 3.222,570 744.204,571 7.64,572 8182.67,573 1,574 1,576 1,577 219.66,578 1.674,579 4.355,580 0.261,581 0.009,582 0.09,583 0.056,584 0.052,585 0.027,586 0.017,587 0.014,588 0.009,589 0.009,590 0.543,591 0.33,592 1,593 1.206,594 100.283,595 0.137,596 -0.189,597 0.163,598 -0.124,599 -0.136,600 -0.021,601 0.297,602 0.068,603 0.088,604 0.052,605 0.29,606 0.023,607 -0.056,608 -0.086,609 0.029,610 -0.025,611 -0.007,612 0.03,613 -0.014,614 -0.106,615 0.116,616 0.076,617 -0.027,618 0.014,619 0.057,620 0.104,621 -0.014,622 -0.009,623 0.176,624 0.068,625 -0.383,626 -0.039,627 -0.258,628 -0.086,629 -0.246,630 -0.104,631 -0.189,632 0.062,633 -0.127,634 -0.02,635 -0.229,636 -0.118,637 0.031,638 -0.069,639 -0.029,640 -0.097,641 -0.001,642 -0.099,643 4.663,644 5.448,645 0.5,646 16.215,647 1.013,648 1.137,649 2.473,650 6.114,651 0.671,652 3.178,653 3.497,654 3.689,655 3.892,656 4.025,657 3.97,658 3.951,659 3.85,660 3.689,661 3.555,662 5.245,663 0.628,664 342.89,665 3.178,666 4.71,667 5.533,668 6.412,669 7.263,670 8.145,671 9.007,672 9.888,673 10.755,674 11.636,675 9.8,677 1,678 1,684 2,688 4,693 2,695 6,713 1,714 41,716 10,717 1,718 23,720 42,721 14,722 6,723 2,724 4,730 2,731 2,732 1,733 1,734 1,736 2,741 1,743 1,745 8,746 6,747 1,750 4,753 1,755 2,757 1,758 2,759 1,760 1,761 1,764 19,765 6,766 1,767 8,768 2,773 4,777 1,778 2,792 1,793 1,819 2,821 1,823 2,824 1,827 22,830 1,833 3,834 1,837 1,838 1,846 1,847 4.9,850 2,854 12.417,855 7.743,856 4.986,857 2.644,858 1.411,859 1.226,860 0.942,861 5.702,862 7.641,863 3.434,864 3.998,865 4.398,866 4.849,867 5.227,868 5.255,869 5.427,870 5.177,871 5.3,872 5.328,873 0.833,874 31,875 8.383,877 3.721,878 7.971,879 15.377,881 12.363,883 2.471,884 54.361,887 1,888 211.88,889 84.107,890 52.855,891 39.149,892 44.313,894 5.807,895 78.299,896 295.341,897 52.855,898 17.65,899 6.746,900 60.117,901 65.131,902 41.502,903 1.899,904 200.109,905 39.149,906 211.88,907 131.155,908 44.313,909 44.956,911 176.567,912 79.626,915 77.252,916 44.855,917 54.004,919 211.88,920 97.168,921 123.255,923 5.807,924 211.88,925 13.696,926 67.605,927 16.405,928 116.91,929 211.88,930 97.168,931 123.255,933 0.575,934 0.331,935 0.175,936 0.099,937 14,938 7,939 0.143,940 6,942 1,943 3.281,944 164.282,946 11,947 96.107,950 1,951 17.1,952 7.337,953 4.374,955 97.168,956 6.1,961 0.459,963 16.405,964 432.303,965 30,968 -3.747,970 24.897,972 1.818,973 8.44,974 0.231,975 41.531,976 46.598,977 0.344,978 0.674,979 0.857,980 0.92,981 0.92,982 0.92,983 4.677,984 0.911,985 5.565,986 2.532,987 4.174,988 4.682,989 1.614,990 6.415,991 4.031,992 5.911,993 0.643,994 7.162,995 1.779,996 4.007,997 4.82,998 0.623,999 7.687,1000 3.724,1001 7.266,1002 0.307,1003 8.878,1004 1.43,1005 5.866,1006 6.965,1007 1.605,1008 10.69,1009 5.56,1010 8.666,1011 -0.335,1012 10.669,1013 0.438,1014 6.509,1015 7.942,1016 1.104,1017 12.78,1018 6.06,1019 10.106,1020 -0.406,1021 12.509,1022 -0.637,1023 7.912,1024 9.66,1025 1.748,1026 15.421,1027 7.422,1028 11.574,1029 -0.774,1030 14.384,1031 -0.898,1032 8.885,1033 10.975,1034 1.527,1035 17.794,1036 8.263,1037 13.064,1038 -0.9,1039 16.285,1040 -2.14,1041 10.143,1042 12.568,1043 1.988,1044 20.346,1045 9.457,1046 3.403,1047 -1,1048 18.204,1049 -2.306,1050 11.253,1051 14.02,1052 1.936,1053 22.817,1054 10.447,1055 2.872,1056 12.548,1057 20.138,1058 -2.954,1059 12.468,1060 15.578,1061 2.293,1062 25.348,1063 11.581,1064 2.409,1065 9.157,1066 22.084,1067 4.709,1068 13.636,1069 17.086,1070 2.343,1071 27.854,1072 12.638,1073 2.263,1074 6.777,1075 24.038,1076 3.425,1077 14.843,1078 18.635,1079 2.638,1080 30.38,1081 13.754,1082 1.556,1083 6.403,1084 26,1085 3.279,1086 16.037,1087 20.166,1088 2.752,1089 32.9,1090 14.842,1091 1.445,1092 4.431,1093 27.966,1094 2.639,1095 17.246,1096 21.713,1097 3.011,1098 35.427,1099 15.955,1100 1.125,1101 3.629,1102 29.938,1103 2.174,1104 18.452,1105 23.255,1106 3.162,1107 37.952,1108 17.058,1109 4412,1110 8022,1111 14.504,1112 27.529,1113 33.94,1114 34.899,1115 35.577,1116 34.111,1117 33.866,1118 43.312,1119 4.567,1120 98.249,1121 31.454,1122 5.801,1123 6.688,1124 7.077,1125 5.396,1126 5.403,1127 7.709,1128 2.185,1129 20.002,1130 5.091,1131 12.76,1132 1.476,1133 1.517,1134 1.547,1135 1.483,1136 1.472,1137 1.883,1138 0.199,1139 4.272,1140 1.368,1141 4.078,1142 4.063,1143 4.737,1144 4.062,1145 7.717,1146 3.974,1147 3.861,1148 3.918,1149 3.915,1150 3.696,1151 6.999,1152 3.704,1153 3.653,1154 3.686,1155 3.781,1156 3.566,1157 4.926,1158 3.502,1159 3.512,1160 3.546,1161 3.412,1162 3.34,1163 4.82,1164 3.32,1165 3.314,1166 3.409,1167 3.217,1168 3.097,1169 4.485,1170 3.085,1171 2.957,1172 3.035,1173 3.103,1174 2.795,1175 4.291,1176 2.769,1177 2.878,1178 2.921,1179 2.802,1180 2.734,1181 3.998,1182 2.737,1183 2.681,1184 2.793,1185 2.538,1186 2.475,1187 3.853,1188 2.456,1189 0.211,1190 0.204,1191 0.318,1192 0.188,1193 0.148,1194 4.861,1195 0.205,1196 4.688,1197 0.054,1198 7.315,1199 0.546,1200 4.32,1201 0.134,1202 3.403,1203 4.709,1204 1.233,1205 12.548,1206 3.091,1207 1.95,1208 1.962,1209 1.954,1210 2.016,1211 1.26,1212 2.055,1213 1.699,1214 1.64,1215 1.943,1216 1.867,1217 1.156,1218 1.892,1219 1.601,1220 1.554,1221 1.835,1222 1.825,1223 0.968,1224 1.831,1225 1.42,1226 1.405,1227 1.553,1228 1.616,1229 0.756,1230 1.652,1231 1.221,1232 1.145,1233 1.428,1234 1.485,1235 0.603,1236 1.494,1237 1.156,1238 1.065,1239 1.201,1240 1.401,1241 0.389,1242 1.431,1243 0.868,1244 0.824,1245 1.101,1246 1.06,1247 0.169,1248 1.077,1249 0.769,1250 0.679,1251 1.034,1252 1.01,1253 0.15,1254 1.05,1255 3.85,1257 5.165,1258 2.398,1259 6.666,1260 4.595,1261 8.251,1262 6.581,1263 9.882,1265 3.901,1266 5.857,1271 2.018,1272 2.5,1275 0.303,1276 1.583,1280 25.744,1281 75.646,1282 147.944,1283 188.15,1284 202.15,1285 202.15,1286 202.15,1287 53.778,1288 6.23,1289 74.13,1290 82.51,1291 11,1292 12.174,1293 3.459,1294 3,1295 41.968,1296 68,1297 72,1298 0.306,1299 170.273,1300 297.24,1301 407.226,1302 3182,1303 2.4,1304 16.165,1305 0.735,1306 0.641,1307 16.915,1308 14.102,1309 10.458,1310 0.455,1311 0.39,1312 7.163,1313 8.986,1314 6.8,1315 5.7,1316 11.568,1317 8.965,1318 9.558,1319 0.299,1320 0.219,1321 11.266,1322 6.995,1323 7.315,1324 0.188,1325 0.123,1326 8.655,1327 4.794,1328 5.774,1329 0.12,1330 0.069,1331 7.11,1332 3.319,1333 4.395,1334 0.08,1335 0.042,1336 5.833,1337 2.302,1338 0.467,1339 76.998,1340 0.263,1341 21.452,1342 0.881,1343 110,1344 361.803,1345 174.45,1346 397.859,1347 523.53,1348 364,1349 126,1350 333.893,1351 194.371,1352 379.803,1353 550.35,1354 355,1355 6} {0 CHEMBL1834234,1 1.808,2 9.308,3 4.14,4 17.135,5 102.858,6 8.687,7 0.429,8 3.908,9 4.011,10 3.757,11 3.516,12 4.985,13 3.464,14 4.438,15 4.59,16 4.045,17 3.879,18 5.75,19 3.811,20 4.67,21 4.87,22 4.104,23 3.968,24 5.805,25 3.88,26 4.66,27 4.84,28 4.233,29 3.934,30 5.929,31 3.869,32 4.744,33 4.937,34 4.232,35 3.988,36 6.055,37 3.92,38 4.779,39 4.979,40 4.013,41 4,42 5.974,43 3.911,44 4.746,45 4.954,46 3.906,47 3.959,48 5.917,49 3.845,50 4.663,51 4.891,52 3.781,53 3.928,54 5.718,55 3.774,56 0.114,57 0.697,58 10.012,59 4.306,60 16.232,61 4.942,62 0.387,63 1.095,64 16.947,65 7.11,66 52.93,67 8.569,68 0.417,69 1.304,70 28.844,71 9.009,72 48.722,73 10.814,74 0.563,75 1.304,76 28.77,77 8.196,78 62.005,79 9.275,80 0.709,81 1.396,82 32.823,83 9.23,84 90.107,85 10.242,86 0.535,87 1.393,88 33.536,89 10.399,90 78.636,91 11.463,92 0.583,93 1.273,94 29.161,95 9.93,96 85.728,97 11.722,98 0.358,99 1.143,100 27.42,101 10.27,102 53.369,103 13.041,104 19,105 39,106 0.31,107 0.607,108 0.754,109 0.847,110 0.87,111 0.87,112 3.305,113 1.078,114 -4.44,115 -4.37,116 -4.12,119 40,120 1,121 1,125 1,127 1,140 9,141 1,142 2,152 1,157 1,164 1,169 8,171 2,172 4,174 4,178 12,181 1,182 7,184 1,186 2,189 7,192 4,193 9,197 4,199 3,202 2,203 14,208 4,211 1,215 13,220 2,222 2,226 10,231 1,233 8,237 6,244 9,249 2,256 13,259 1050,260 17.446,261 17.446,262 17.446,263 17.446,264 17.446,265 15.214,266 18.425,267 10.498,268 17.951,269 13.813,270 13.813,271 13.813,272 13.813,273 13.813,274 10.47,275 21.514,276 4.892,277 14.67,278 3.684,279 1.95,280 1.095,281 0.55,282 0.417,283 0.417,284 3.981,285 1,288 1,289 1,290 511,291 3.808,294 79.325,295 176.283,302 1.355,303 32.001,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.333,315 242,316 4.862,317 4.689,318 7.316,319 4.326,320 3.408,321 4.709,322 1.24,323 12.56,324 3.105,325 4.28,326 3.495,327 6.683,328 4.046,329 3.092,330 3.635,331 0.782,332 10.786,333 2.948,334 3.876,335 2.902,336 5.761,337 3.433,338 2.483,339 3.407,340 0.568,341 7.76,342 2.354,343 3.791,344 2.84,345 5.22,346 3.277,347 2.355,348 3.204,349 0.119,350 6.495,351 2.138,352 3.312,353 2.282,354 4.774,355 2.856,356 1.902,357 2.478,359 5.011,360 1.803,361 2.993,362 1.753,363 4.494,364 2.466,365 1.527,366 2.171,368 4.228,369 1.408,370 2.912,371 1.711,372 3.869,373 2.407,374 1.429,375 2.017,377 3.155,378 1.352,379 2.613,380 1.502,381 3.5,382 2.115,383 1.143,384 1.658,386 2.535,387 1.103,388 2.5,389 1.243,390 3.479,391 2.078,392 1.108,393 1.5,395 2.344,396 1.071,397 2.348,398 1.021,399 3.337,400 2,401 1,402 1.225,404 2.136,405 1,406 2.105,407 1,408 3.247,409 1.743,410 0.781,411 1.017,413 1.945,414 0.749,415 1.744,416 0.926,417 3.231,418 1.628,419 0.664,420 0.697,422 1.391,423 0.638,424 1,425 0.243,426 2.775,427 0.619,428 -0.334,429 -0.397,431 -0.637,432 -0.254,433 1,434 0.18,435 2.558,436 0.417,437 -0.406,438 -0.512,440 -0.897,441 -0.32,442 0.943,443 -0.119,444 2.259,445 0.372,446 -0.608,447 -0.755,449 -1.393,450 -0.593,451 12.814,452 0.493,453 0.663,454 0.025,455 34.25,456 1.317,457 18,458 0.692,459 16.25,460 0.625,461 20.915,462 0.804,463 27.986,464 0.622,465 26.484,466 1.019,467 6.75,468 0.26,469 5.759,470 0.221,471 0.147,472 0.065,473 0.226,479 0.489,480 1.316,481 0.696,482 1.166,483 0.659,484 0.926,485 0.577,486 1.089,487 0.763,488 0.95,489 0.558,490 0.957,491 1.056,492 1.082,493 0.995,494 1.013,495 0.928,496 0.925,497 1.219,498 1.293,499 0.864,500 0.953,501 1.235,502 0.924,503 1.168,504 1.087,505 1.08,506 1.051,507 1.037,508 0.906,509 1.483,510 1.068,511 1.136,512 1.085,513 1.518,514 0.985,515 1.318,516 0.921,517 0.905,518 0.924,519 1.561,520 1.031,521 0.751,522 0.888,523 0.826,524 0.978,525 0.854,526 1.068,527 5.5,528 0.049,529 3.333,530 1.868,531 1.691,532 1.028,533 0.586,534 0.403,535 0.267,536 0.142,537 7105,538 22141,539 2.027,540 42.2,542 12,544 1,545 1,546 2,547 3,550 1.698,551 1.891,552 3.201,553 -0.256,555 1,559 81.364,560 1.808,561 3.542,562 4.397,563 4.942,564 5.075,565 5.075,566 2.656,567 4.133,568 4.674,569 3.347,570 1087.7,571 8.134,572 13364.3,574 1,576 1,577 247.133,578 1.542,579 4.619,580 0.196,581 0.005,582 0.085,583 0.048,584 0.041,585 0.024,586 0.015,587 0.013,588 0.01,589 0.007,590 0.445,591 0.17,592 1,593 0.958,594 125.331,595 0.137,596 -0.113,597 0.152,598 -0.096,599 -0.143,600 0.002,601 0.294,602 0.031,603 0.036,604 -0.011,605 0.256,606 -0.052,607 -0.078,608 -0.026,609 -0.005,610 -0.02,611 -0.032,612 0.021,613 0.014,614 -0.179,615 0.082,617 -0.022,618 -0.049,619 0.052,620 0.027,621 -0.025,622 -0.039,623 0.137,624 -0.005,625 -0.288,626 -0.029,627 -0.189,628 -0.066,629 -0.157,630 -0.05,631 -0.184,632 0.031,633 -0.092,634 0.003,635 -0.199,636 -0.08,637 0.012,638 0.003,639 0.013,640 -0.024,641 -0.012,642 -0.037,643 4.745,644 5.74,645 0.654,646 19.876,647 1.012,648 1.124,649 3.208,650 10.292,651 0.701,652 3.367,653 3.689,654 3.932,655 4.19,656 4.357,657 4.344,658 4.407,659 4.369,660 4.369,661 4.357,662 5.712,663 0.661,664 390.93,665 3.367,666 4.905,667 5.746,668 6.632,669 7.498,670 8.39,671 9.266,672 10.158,673 11.04,674 11.933,675 8.9,677 1,678 1,684 2,688 9,693 3,695 12,713 1,714 45,716 16,717 2,718 28,720 47,721 18,722 12,723 3,724 9,730 3,731 3,732 1,733 1,734 1,736 1,740 2,743 2,745 14,746 4,750 4,753 1,755 2,757 1,758 2,759 1,761 1,764 19,765 6,766 1,767 8,768 2,773 4,777 1,778 2,792 1,793 2,819 3,821 1,823 1,824 1,827 26,830 1,833 2,834 1,837 1,838 1,846 1,847 4.4,850 2,854 13.75,855 8.16,856 5.792,857 2.694,858 2.277,859 1.33,860 0.978,861 5.844,862 9.185,863 3.664,864 4.248,865 4.7,866 5.208,867 5.649,868 5.672,869 5.942,870 5.963,871 6.226,872 6.342,873 1,874 39,875 9.875,877 4.436,878 7.905,879 18.163,881 14.845,883 2.405,884 62.528,887 1,888 211.88,889 123.743,890 52.855,891 39.149,892 44.313,894 5.807,895 117.935,896 295.341,897 52.855,898 8.825,899 4.64,900 107.499,901 65.131,902 44.687,903 1.899,904 200.109,905 39.149,906 211.88,907 170.79,908 44.313,909 44.956,911 176.567,912 79.626,915 66.321,916 95.422,917 54.004,919 211.88,920 97.168,921 162.891,923 5.807,924 211.88,925 14.776,926 106.161,927 16.405,928 116.91,929 211.88,930 97.168,931 162.891,933 0.574,934 0.334,935 0.188,936 0.105,937 18,938 8,939 0.128,940 6,942 1,943 3.659,944 218.341,946 17,947 116.211,950 1,951 18.743,952 8.106,953 4.395,955 97.168,956 15.897,961 1.465,963 16.405,964 471.939,965 38,968 -3.828,970 25.481,972 1.76,973 8.653,974 0.19,975 45.531,976 50.598,977 0.329,978 0.645,979 0.801,980 0.9,981 0.924,982 0.924,983 4.898,984 1.143,985 5.759,986 3.155,987 4.369,988 4.934,989 1.717,990 6.619,991 4.25,992 6.126,993 1.108,994 7.353,995 2.535,996 4.111,997 4.924,998 0.623,999 7.861,1000 3.847,1001 7.467,1002 1,1003 9.07,1004 2.344,1005 6.047,1006 7.191,1007 1.668,1008 10.917,1009 5.787,1010 8.855,1011 0.781,1012 10.865,1013 2.136,1014 6.648,1015 8.041,1016 1.104,1017 12.991,1018 6.243,1019 10.282,1020 0.664,1021 12.71,1022 1.945,1023 8.091,1024 9.828,1025 1.797,1026 15.647,1027 7.67,1028 11.738,1029 -0.334,1030 14.589,1031 1.391,1032 9.048,1033 11.058,1034 1.546,1035 18,1036 8.498,1037 13.217,1038 -0.406,1039 16.492,1040 -0.637,1041 10.323,1042 12.679,1043 2.039,1044 20.548,1045 9.73,1046 3.408,1047 -0.608,1048 18.411,1049 -0.897,1050 11.426,1051 14.081,1052 1.973,1053 23,1054 10.719,1055 3.092,1056 12.56,1057 20.343,1058 -1.393,1059 12.647,1060 15.647,1061 2.352,1062 25.519,1063 11.877,1064 2.483,1065 10.786,1066 22.284,1067 4.709,1068 13.809,1069 17.128,1070 2.397,1071 28.008,1072 12.937,1073 2.355,1074 7.76,1075 24.233,1076 3.635,1077 15.016,1078 18.677,1079 2.709,1080 30.522,1081 14.067,1082 1.902,1083 6.495,1084 26.187,1085 3.407,1086 16.204,1087 20.193,1088 2.821,1089 33.027,1090 15.158,1091 1.527,1092 5.011,1093 28.146,1094 3.204,1095 17.41,1096 21.739,1097 3.093,1098 35.542,1099 16.279,1100 1.429,1101 4.228,1102 30.109,1103 2.478,1104 18.61,1105 23.272,1106 3.246,1107 38.055,1108 17.384,1109 7000,1110 12562,1111 18.375,1112 31.529,1113 42.098,1114 42.781,1115 42.962,1116 42.036,1117 41.784,1118 55.437,1119 5.419,1120 120.689,1121 39.34,1122 5.8,1123 6.689,1124 7.118,1125 5.404,1126 5.408,1127 7.709,1128 2.205,1129 20.099,1130 5.105,1131 12.625,1132 1.503,1133 1.528,1134 1.534,1135 1.501,1136 1.492,1137 1.98,1138 0.194,1139 4.31,1140 1.405,1141 4.084,1142 4.078,1143 4.737,1144 4.064,1145 7.717,1146 3.98,1147 3.955,1148 3.979,1149 3.915,1150 3.881,1151 6.999,1152 3.875,1153 3.726,1154 3.779,1155 3.903,1156 3.592,1157 4.928,1158 3.575,1159 3.604,1160 3.628,1161 3.623,1162 3.491,1163 4.855,1164 3.452,1165 3.496,1166 3.545,1167 3.361,1168 3.317,1169 4.693,1170 3.301,1171 2.997,1172 3.07,1173 3.217,1174 2.798,1175 4.475,1176 2.785,1177 2.882,1178 2.944,1179 2.854,1180 2.772,1181 4.29,1182 2.762,1183 2.878,1184 2.925,1185 2.765,1186 2.754,1187 3.861,1188 2.751,1189 0.174,1190 0.167,1191 0.261,1192 0.154,1193 0.122,1194 4.862,1195 0.168,1196 4.689,1197 0.044,1198 7.316,1199 0.449,1200 4.326,1201 0.111,1202 3.408,1203 4.709,1204 1.24,1205 12.56,1206 3.105,1207 1.952,1208 1.963,1209 2.04,1210 2.026,1211 1.229,1212 2.058,1213 1.915,1214 1.887,1215 1.954,1216 1.989,1217 1.154,1218 2.011,1219 1.602,1220 1.557,1221 1.834,1222 1.827,1223 0.967,1224 1.829,1225 1.452,1226 1.407,1227 1.69,1228 1.624,1229 0.892,1230 1.651,1231 1.419,1232 1.39,1233 1.436,1234 1.61,1235 0.619,1236 1.645,1237 1.206,1238 1.14,1239 1.202,1240 1.457,1241 0.416,1242 1.449,1243 0.886,1244 0.824,1245 1.181,1246 1.073,1247 0.218,1248 1.107,1249 0.868,1250 0.821,1251 1.108,1252 1.062,1253 0.181,1254 1.089,1255 4.043,1257 5.361,1258 2.398,1259 6.876,1260 4.595,1261 8.481,1262 6.605,1263 10.132,1265 1.838,1266 5.923,1271 1.09,1272 2.555,1275 -0.108,1276 1.612,1280 29.744,1281 81.364,1282 159.385,1283 197.849,1284 222.379,1285 228.379,1286 228.379,1287 55.934,1288 6.908,1289 74.13,1290 82.51,1291 17,1292 12.462,1293 4.087,1294 3.459,1295 43.997,1296 86,1297 87,1298 0.245,1299 192.467,1300 335.26,1301 461.379,1302 8368,1303 2.2,1304 18.571,1305 0.714,1306 0.607,1307 19.321,1308 15.782,1309 12.509,1310 0.447,1311 0.359,1312 8.266,1313 11.039,1314 7.921,1315 6.579,1316 13.619,1317 10.066,1318 11.367,1319 0.291,1320 0.2,1321 13.076,1322 7.784,1323 8.975,1324 0.18,1325 0.109,1326 10.315,1327 5.432,1328 7.575,1329 0.117,1330 0.061,1331 8.903,1332 3.996,1333 5.914,1334 0.077,1335 0.036,1336 7.352,1337 2.778,1338 0.374,1339 89.268,1340 0.233,1341 24.707,1342 0.704,1343 134,1344 417.803,1345 198.783,1346 456.432,1347 609.12,1348 420,1349 156,1350 400.245,1351 224.704,1352 448.344,1353 652.24,1354 421,1355 6} {0 CHEMBL1834350,1 1.816,2 9.32,3 2.368,4 5.607,5 98.88,6 8.169,7 0.222,8 3.953,9 4.073,10 3.748,11 3.493,12 4.941,13 3.44,14 4.541,15 4.722,16 4.057,17 3.908,18 5.754,19 3.833,20 4.819,21 5.038,22 4.114,23 4.048,24 5.853,25 3.933,26 4.875,27 5.122,28 4.179,29 3.964,30 5.98,31 3.853,32 4.765,33 5.004,34 4.117,35 3.858,36 6.011,37 3.779,38 4.663,39 4.868,40 3.873,41 3.834,42 5.843,43 3.755,44 4.667,45 4.877,46 3.87,47 3.89,48 5.746,49 3.769,50 4.738,51 4.97,52 3.774,53 3.922,54 5.725,55 3.76,56 0.127,57 0.75,58 12.129,59 4.466,60 16.483,61 5.646,62 0.456,63 1.175,64 21.589,65 7.667,66 59.545,67 10.024,68 0.452,69 1.402,70 34.257,71 10.114,72 52.776,73 13.521,74 0.733,75 1.374,76 39.961,77 9.484,78 77.355,79 12.838,80 0.833,81 1.235,82 38.24,83 8.605,84 94.169,85 11.006,86 0.559,87 1.151,88 29.85,89 7.929,90 78.806,91 9.789,92 0.55,93 1.164,94 29.672,95 8.964,96 67.259,97 11.285,98 0.472,99 1.14,100 32.842,101 10.468,102 68.113,103 13.583,104 19,105 39,106 0.313,107 0.631,108 0.794,109 0.844,110 0.844,111 0.844,112 3.267,113 1.129,114 -3.44,115 -3.42,116 -3.27,119 34,120 1,121 2,123 1,125 4,140 4,142 2,152 1,157 1,164 1,169 4,171 2,172 3,174 4,176 2,178 6,181 1,182 8,184 1,186 3,189 2,192 4,193 4,197 3,199 1,202 2,203 11,206 2,208 4,215 8,222 1,226 9,229 1,230 1,233 6,237 2,244 6,252 2,254 1,256 6,259 935,260 16.585,261 16.585,262 16.585,263 16.585,264 16.585,265 15.156,266 23.996,267 9.766,268 17.144,269 13.283,270 13.283,271 13.283,272 13.283,273 13.283,274 10.99,275 33.156,276 4.519,277 14.216,278 3.739,279 1.893,280 0.942,281 0.654,282 0.654,283 0.654,284 3.942,285 1,287 1,288 1,289 1,290 494,291 4.062,294 74.323,295 179.252,302 1.398,303 33.476,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 54.833,315 233,316 4.861,317 4.688,318 7.316,319 4.395,320 3.428,321 4.709,322 1.233,323 12.83,324 3.359,325 4.453,326 3.644,327 7.235,328 4.306,329 3.367,330 3.567,331 0.782,332 12.536,333 3.084,334 3.931,335 3.121,336 6.081,337 3.584,338 2.66,339 3.399,340 0.4,341 8.799,342 2.449,343 3.8,344 2.885,345 5.22,346 3.283,347 2.372,348 3.09,349 0.268,350 6.507,351 2.131,352 3.005,353 2.071,354 4.661,355 2.626,356 1.696,357 2.18,359 4.57,360 1.569,361 2.938,362 1.817,363 4.31,364 2.471,365 1.538,366 1.931,368 3.929,369 1.383,370 2.613,371 1.741,372 3.811,373 2.375,374 1.44,375 1.658,377 3.196,378 1.328,379 2.527,380 1.404,381 3.732,382 2.113,383 1.125,384 1.516,386 2.532,387 1.101,388 2.283,389 1.25,390 3.688,391 1.984,392 1,393 1.09,395 2.23,396 0.983,397 2,398 1.077,399 3.489,400 1.851,401 0.907,402 1,404 1.872,405 0.854,406 1.845,407 1.009,408 3.231,409 1.573,410 0.642,411 0.754,413 1.459,414 0.596,415 1,416 0.243,417 3.116,418 0.788,419 -0.184,420 -0.185,422 -0.475,423 -0.179,424 1,425 0.18,426 2.763,427 0.615,428 -0.338,429 -0.402,431 -0.637,432 -0.254,433 0.943,434 -0.029,435 2.561,436 0.417,437 -0.406,438 -0.512,440 -0.898,441 -0.324,442 0.823,443 -0.123,444 2,445 0.169,446 -0.774,447 -0.933,449 -2.148,450 -0.701,451 12.214,452 0.489,453 0.732,454 0.029,455 28.25,456 1.13,457 12,458 0.48,459 16.25,460 0.65,461 23.603,462 0.944,463 28.586,464 0.608,465 21.333,466 0.853,467 5.21,468 0.208,469 6.73,470 0.269,471 0.154,472 0.109,473 0.156,479 0.556,480 1.511,481 0.724,482 1.256,483 0.647,484 1.017,485 0.642,486 1.062,487 0.749,488 0.902,489 0.517,490 0.928,491 0.926,492 1.203,493 0.954,494 1.106,495 0.811,496 1.06,497 1.075,498 1.13,499 0.788,500 0.858,501 1.034,502 0.882,503 1.121,504 0.911,505 1.041,506 0.963,507 1.007,508 0.783,509 1.717,510 1.045,511 1.133,512 0.98,513 1.826,514 0.955,515 1.164,516 0.957,517 1.041,518 1.088,519 1.363,520 1.088,521 0.978,522 1.008,523 0.972,524 1.126,525 1.227,526 1.138,527 7,528 0.049,529 3.333,530 1.944,531 1.882,532 0.879,533 0.536,534 0.434,535 0.278,536 0.152,537 6558,538 19095,539 2.019,540 46.8,542 12,544 1,545 2,547 7,550 1.685,551 1.875,552 3.209,553 0.391,554 1,555 1,559 85.349,560 1.816,561 3.662,562 4.613,563 4.9,564 4.9,565 4.9,566 2.683,567 4.214,568 4.617,569 3.358,570 1007.27,571 8.008,572 12051.5,574 1,576 1,577 261.066,578 1.58,579 4.551,580 0.259,581 0.005,582 0.085,583 0.051,584 0.052,585 0.024,586 0.017,587 0.014,588 0.011,589 0.008,590 0.528,591 0.33,592 1,593 0.98,594 119.297,595 0.104,596 -0.167,597 0.156,598 -0.092,599 -0.119,600 0.005,601 0.22,602 0.114,603 0.056,604 0.071,605 0.272,606 0.031,607 -0.051,608 -0.149,609 -0.023,610 -0.107,611 0.004,612 -0.081,613 0.022,614 -0.127,615 0.135,616 0.062,617 0.026,618 0.033,619 0.113,620 0.129,621 0.06,622 0.048,623 0.195,624 0.131,625 -0.397,626 0.019,627 -0.206,628 0.002,629 -0.254,630 -0.045,631 -0.121,632 0.099,633 -0.142,634 -0.066,635 -0.161,636 -0.121,637 -0.071,638 -0.069,639 -0.078,640 -0.108,641 -0.128,642 -0.117,643 4.694,644 5.655,645 0.64,646 19.536,647 1.011,648 1.139,649 2.206,650 4.867,651 0.666,652 3.332,653 3.689,654 3.912,655 4.159,656 4.357,657 4.331,658 4.407,659 4.419,660 4.382,661 4.331,662 5.704,663 0.623,664 383.95,665 3.332,666 4.89,667 5.733,668 6.635,669 7.504,670 8.408,671 9.288,672 10.193,673 11.079,674 11.982,675 10.6,677 2,678 1,684 2,688 4,693 2,695 6,713 1,714 47,716 10,717 1,718 27,720 49,721 16,722 6,723 2,724 4,730 3,731 3,732 1,733 1,734 1,736 1,737 1,739 1,740 2,743 2,745 8,746 8,750 4,753 1,755 2,757 1,758 2,759 1,760 1,761 1,764 22,765 7,766 2,767 9,768 2,773 5,777 0.667,778 2,792 1,793 2,814 1,819 2,821 1,823 1,824 1,827 25,830 1,833 6,834 2,838 1,839 1,846 1,847 4.3,850 2,854 13.333,855 8.41,856 5.486,857 2.908,858 1.364,859 1.199,860 0.959,861 5.563,862 8.208,863 3.555,864 4.119,865 4.525,866 4.974,867 5.372,868 5.427,869 5.64,870 5.526,871 5.669,872 5.745,873 1,874 38,875 9.537,877 4.328,878 7.871,879 17.78,881 14.949,883 2.371,884 59.278,887 1,888 235.422,889 82.027,890 70.866,891 39.149,892 44.313,894 5.807,895 76.22,896 318.884,897 70.866,898 8.825,899 13.492,900 78.128,901 65.131,902 41.502,903 1.899,904 223.651,905 39.149,906 235.422,907 147.086,908 44.313,909 44.956,911 153.024,912 126.711,915 93.183,916 44.855,917 54.004,919 235.422,920 115.179,921 121.176,923 5.807,924 235.422,925 20.442,926 58.779,927 34.416,928 116.91,929 235.422,930 115.179,931 121.176,933 0.584,934 0.334,935 0.18,936 0.104,937 19,938 8,939 0.102,940 5,942 1.063,943 3.587,944 206.843,946 17,947 110.096,950 1,951 18.491,952 7.522,953 4.275,955 115.179,956 6.146,961 0.466,963 34.416,964 471.777,965 34,968 -3.777,970 25.31,972 1.937,973 8.731,974 0.245,975 47.516,976 53.511,977 0.327,978 0.659,979 0.83,980 0.882,981 0.882,982 0.882,983 4.832,984 1.125,985 5.79,986 3.196,987 4.369,988 4.804,989 1.676,990 6.696,991 4.242,992 6.071,993 1,994 7.42,995 2.532,996 4.29,997 4.956,998 0.623,999 8.176,1000 4.085,1001 7.441,1002 0.907,1003 9.176,1004 2.23,1005 6.146,1006 7.071,1007 1.615,1008 11.167,1009 5.91,1010 8.854,1011 0.642,1012 11.01,1013 1.872,1014 6.878,1015 8.05,1016 1.104,1017 13.4,1018 6.585,1019 10.306,1020 -0.184,1021 12.893,1022 1.459,1023 8.293,1024 9.746,1025 1.75,1026 16.047,1027 7.968,1028 11.783,1029 -0.338,1030 14.807,1031 -0.475,1032 9.331,1033 11.053,1034 1.527,1035 18.495,1036 8.961,1037 13.278,1038 -0.406,1039 16.741,1040 -0.637,1041 10.608,1042 12.63,1043 1.988,1044 21.061,1045 10.205,1046 3.428,1047 -0.774,1048 18.689,1049 -0.898,1050 11.76,1051 14.072,1052 1.936,1053 23.573,1054 11.318,1055 3.367,1056 12.83,1057 20.646,1058 -2.148,1059 12.994,1060 15.618,1061 2.293,1062 26.119,1063 12.52,1064 2.66,1065 12.536,1066 22.61,1067 4.709,1068 14.189,1069 17.118,1070 2.343,1071 28.65,1072 13.679,1073 2.372,1074 8.799,1075 24.579,1076 3.567,1077 15.412,1078 18.66,1079 2.638,1080 31.193,1081 14.87,1082 1.696,1083 6.507,1084 26.551,1085 3.399,1086 16.623,1087 20.185,1088 2.752,1089 33.731,1090 16.049,1091 1.538,1092 4.57,1093 28.525,1094 3.09,1095 17.845,1096 21.729,1097 3.011,1098 36.272,1099 17.24,1100 1.44,1101 3.929,1102 30.502,1103 2.18,1104 19.063,1105 23.266,1106 3.162,1107 38.813,1108 18.428,1109 6448,1110 11222,1111 17.564,1112 31.296,1113 40.81,1114 41.762,1115 42.45,1116 40.506,1117 40.35,1118 49.791,1119 5.367,1120 120.919,1121 37.676,1122 5.861,1123 6.688,1124 7.078,1125 5.471,1126 5.428,1127 7.709,1128 2.185,1129 20.302,1130 5.359,1131 12.321,1132 1.511,1133 1.547,1134 1.572,1135 1.5,1136 1.494,1137 1.844,1138 0.199,1139 4.478,1140 1.395,1141 4.083,1142 4.08,1143 4.737,1144 4.063,1145 7.717,1146 3.977,1147 3.944,1148 3.982,1149 3.915,1150 3.811,1151 6.999,1152 3.813,1153 3.685,1154 3.736,1155 3.872,1156 3.577,1157 4.926,1158 3.525,1159 3.535,1160 3.548,1161 3.497,1162 3.36,1163 4.826,1164 3.341,1165 3.431,1166 3.525,1167 3.271,1168 3.194,1169 4.502,1170 3.201,1171 3.111,1172 3.206,1173 3.217,1174 2.941,1175 4.292,1176 2.91,1177 2.985,1178 3.061,1179 2.866,1180 2.796,1181 4.272,1182 2.776,1183 2.878,1184 2.921,1185 2.847,1186 2.754,1187 3.858,1188 2.757,1189 0.18,1190 0.174,1191 0.271,1192 0.163,1193 0.127,1194 4.861,1195 0.174,1196 4.688,1197 0.046,1198 7.316,1199 0.475,1200 4.395,1201 0.124,1202 3.428,1203 4.709,1204 1.233,1205 12.83,1206 3.359,1207 1.95,1208 1.962,1209 2.042,1210 2.021,1211 1.425,1212 2.056,1213 1.847,1214 1.795,1215 1.954,1216 2.004,1217 1.156,1218 2.023,1219 1.606,1220 1.559,1221 1.836,1222 1.84,1223 0.97,1224 1.838,1225 1.42,1226 1.405,1227 1.535,1228 1.617,1229 0.825,1230 1.653,1231 1.238,1232 1.16,1233 1.513,1234 1.488,1235 0.798,1236 1.504,1237 1.189,1238 1.11,1239 1.412,1240 1.455,1241 0.606,1242 1.447,1243 1.153,1244 1.064,1245 1.201,1246 1.376,1247 0.413,1248 1.429,1249 0.868,1250 0.824,1251 1.101,1252 1.061,1253 0.174,1254 1.077,1255 4.007,1257 5.352,1258 2.398,1259 6.893,1260 4.727,1261 8.519,1262 6.843,1263 10.19,1265 1.855,1266 5.911,1271 4.92,1272 5.898,1276 1.65,1277 -0.013,1280 29.292,1281 85.349,1282 172.098,1283 216.801,1284 230.311,1285 230.311,1286 230.311,1287 56.248,1288 6.844,1289 86.16,1290 94.54,1291 17,1292 12.505,1293 3.459,1294 3,1295 41.569,1296 83,1297 82,1298 0.241,1299 188.859,1300 330.48,1301 452.575,1302 7426,1303 2.1,1304 17.916,1305 0.717,1306 0.626,1307 18.666,1308 15.646,1309 11.94,1310 0.442,1311 0.376,1312 8.339,1313 10.395,1314 7.993,1315 6.605,1316 13.05,1317 10.164,1318 11.274,1319 0.289,1320 0.215,1321 12.982,1322 8.394,1323 8.811,1324 0.18,1325 0.122,1326 10.151,1327 5.98,1328 7.272,1329 0.115,1330 0.069,1331 8.608,1332 4.366,1333 5.876,1334 0.076,1335 0.041,1336 7.311,1337 3.168,1338 0.37,1339 86.392,1340 0.239,1341 23.987,1342 0.685,1343 132,1344 398.136,1345 197.838,1346 433.407,1347 574.39,1348 398,1349 154,1350 372.02,1351 224.036,1352 419.521,1353 610.56,1354 392,1355 5} {0 CHEMBL183460,1 1.462,2 14.906,3 4.082,4 16.663,5 123.575,6 7.075,7 0.472,8 4.208,9 4.324,10 3.744,11 3.751,12 5.215,13 3.725,14 4.788,15 4.961,16 4.103,17 4.158,18 5.757,19 4.11,20 5.073,21 5.283,22 4.152,23 4.322,24 6.025,25 4.233,26 5.118,27 5.366,28 3.983,29 4.299,30 5.919,31 4.158,32 5.08,33 5.347,34 3.855,35 4.208,36 5.85,37 4.056,38 4.97,39 5.229,40 3.78,41 4.099,42 5.753,43 3.956,44 4.897,45 5.152,46 3.743,47 4.032,48 5.689,49 3.904,50 4.85,51 5.093,52 3.737,53 4.023,54 5.653,55 3.897,56 0.025,57 0.868,58 13.341,59 5.872,60 7.01,61 7.764,62 0.237,63 1.452,64 25.943,65 9.828,66 25.443,67 13.37,68 0.559,69 1.826,70 36.175,71 12.927,72 54.281,73 17.934,74 0.327,75 1.826,76 38.324,77 14.84,78 38.356,79 20.867,80 0.344,81 1.723,82 37.712,83 13.959,84 41.552,85 19.841,86 0.299,87 1.565,88 33.566,89 12.245,90 38.281,91 17.442,92 0.372,93 1.484,94 31.345,95 10.793,96 38.035,97 15.388,98 0.316,99 1.411,100 29.49,101 10.744,102 29.557,103 15.036,104 5,105 50,106 0.235,107 0.571,108 0.784,109 0.862,110 0.867,111 0.867,112 3.501,113 0.951,114 -3.85,115 -3.81,116 -3.62,119 42.6,120 1,121 3,122 1,125 5,140 8,141 2,142 3,144 2,156 1,169 11,172 9,174 1,176 1,178 13,181 2,182 7,184 1,186 2,189 10,192 1,193 6,197 2,199 10,203 8,208 1,211 4,215 9,220 2,222 1,225 1,226 7,233 4,237 3,240 1,244 6,248 1,249 5,256 8,259 1772,260 21.98,261 21.98,262 21.98,263 21.98,264 21.98,265 19.79,266 26.821,267 13.006,268 22.43,269 17.819,270 17.819,271 17.819,272 17.819,273 17.819,274 14.439,275 30.59,276 6.244,277 18.538,278 4.469,279 2.38,280 1.054,281 0.57,282 0.537,283 0.537,284 4.216,288 1,289 1,290 1066,291 3,295 473.795,299 315.241,302 2.367,303 24.01,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68.5,315 477,316 4.516,317 3.653,318 6.517,319 4.026,320 3.054,321 4.458,322 2.03,323 10.248,324 2.968,325 4.305,326 3.185,327 6.214,328 3.932,329 2.968,330 3.931,331 0.892,332 9.355,333 2.864,334 3.764,335 3.05,336 5.59,337 3.649,338 2.681,339 3.17,340 0.86,341 7.691,342 2.599,343 3.716,344 2.892,345 5.333,346 3.357,347 2.4,348 2.992,349 0.8,350 6.892,351 2.299,352 3.579,353 2.656,354 5.298,355 3.283,356 2.33,357 2.684,358 0.141,359 6.705,360 2.218,361 3.421,362 2.588,363 4.977,364 3.135,365 2.142,366 2.63,368 5.92,369 2.103,370 3.295,371 2.177,372 4.904,373 2.907,374 1.932,375 2.557,377 5.638,378 1.875,379 3.077,380 2.102,381 4.813,382 2.837,383 1.874,384 2.22,386 5.291,387 1.796,388 2.989,389 1.922,390 4.381,391 2.512,392 1.564,393 2.103,395 4.26,396 1.504,397 2.884,398 1.598,399 4.196,400 2.505,401 1.523,402 2.009,404 3.817,405 1.466,406 2.491,407 1.462,408 3.527,409 2.16,410 1.228,411 1.488,413 2.714,414 1.134,415 2.142,416 1.336,417 3.414,418 1.984,419 1,420 1.086,422 2.275,423 0.983,424 2.011,425 1.077,426 3.323,427 1.84,428 0.871,429 1,431 2.013,432 0.84,433 2,434 0.964,435 3.29,436 1.716,437 0.793,438 0.934,440 1.854,441 0.723,442 1.394,443 0.716,444 2.99,445 1.218,446 0.263,447 0.286,449 0.656,450 0.249,451 15.2,452 0.475,453 0.708,454 0.022,455 40,456 1.25,457 19,458 0.594,459 21,460 0.656,461 28.923,462 0.904,463 34.6,464 0.567,465 27.886,466 0.871,467 7.622,468 0.238,469 8.014,470 0.25,471 0.055,473 0.322,479 0.798,480 1.32,481 0.812,482 1.135,483 0.606,484 0.997,485 1.071,486 1.153,487 0.94,488 1.023,489 0.648,490 0.968,491 1.07,492 0.982,493 1.083,494 0.995,495 0.964,496 1.026,497 0.751,498 1.05,499 0.984,500 1.104,501 0.539,502 1.085,503 0.859,504 0.945,505 0.96,506 0.982,507 0.729,508 0.986,509 0.907,510 1.069,511 0.997,512 1.044,513 0.789,514 1.038,515 1.096,516 0.96,517 1.073,518 0.954,519 1.046,520 0.997,521 1.039,522 0.986,523 1.07,524 1.025,525 0.901,526 1.047,527 6.5,528 0.165,529 3.111,530 1.625,531 1.676,532 0.701,533 0.604,534 0.33,535 0.213,536 0.188,537 18114,538 43011,539 2.174,540 47.5,541 3,542 18,545 1,546 3,547 4,550 1.735,551 2.087,552 3.822,553 -0.403,555 1,559 89.172,560 1.462,561 3.551,562 4.877,563 5.361,564 5.394,565 5.394,566 3.243,567 4.789,568 4.975,569 4.039,570 2003.57,571 8.646,572 31732.2,574 1,577 361.775,578 1.198,579 4.954,580 0.181,581 0.007,582 0.062,583 0.032,584 0.041,585 0.019,586 0.018,587 0.01,588 0.007,589 0.007,590 0.385,591 0.33,592 0.88,593 0.406,594 173.382,595 -0.007,596 -0.145,597 0.074,598 -0.055,599 -0.002,600 0.009,601 -0.035,602 -0.049,603 0.013,604 -0.012,605 0.066,606 0.004,607 0.024,608 0.066,609 -0.102,610 -0.015,611 0.028,612 -0.064,613 0.031,614 -0.097,615 -0.024,616 -0.097,617 0.063,618 -0.073,619 -0.032,620 -0.013,621 0.019,622 0.006,623 -0.014,624 0.018,625 -0.043,626 -0.119,627 -0.017,628 -0.062,629 -0.034,630 -0.042,631 -0.107,632 0.032,633 -0.078,634 0.002,635 -0.133,636 -0.029,637 -0.081,638 -0.002,639 -0.088,640 -0.044,641 -0.09,642 -0.064,643 1.75,644 4.563,645 0.813,646 36.625,647 0.996,648 1.123,649 2.621,650 6.871,651 0.66,652 3.611,653 3.932,654 4.19,655 4.454,656 4.718,657 4.727,658 4.796,659 4.934,660 5.004,661 5.017,662 8.791,663 0.624,664 431.58,665 3.611,666 5.153,667 5.999,668 6.87,669 7.728,670 8.601,671 9.463,672 10.336,673 11.2,674 12.073,675 4.9,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 61,716 18,717 2,718 36,720 65,721 26,722 15,723 6,724 6,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,764 29,765 6,766 1,767 6,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 32,833 8,834 1,835 2,837 1,838 1,847 4.9,850 1,852 2,854 15.333,855 11.15,856 6.917,857 3.865,858 3.431,859 1.41,860 1,861 6.288,862 11.797,863 3.839,864 4.419,865 4.965,866 5.538,867 6.105,868 6.315,869 6.574,870 6.902,871 7.12,872 6.864,873 0.9,874 50,875 11.876,877 5.077,878 7.568,879 23.323,881 19.716,883 2.068,884 66.167,887 1,888 329.591,889 136.348,890 37.921,892 47.145,895 136.348,896 376.736,897 37.921,898 8.825,899 41.116,900 75.81,901 46.635,902 49.027,904 329.591,906 329.591,907 174.269,908 47.145,911 282.506,912 94.229,915 57.967,916 99.517,917 16.786,919 329.591,920 85.065,921 136.348,924 329.591,925 51.713,926 87.759,927 18.011,928 63.93,929 329.591,930 85.065,931 136.348,933 0.582,934 0.333,935 0.182,936 0.105,937 25,938 10,939 0.092,940 6,941 2,942 1.154,943 4.576,944 285.242,945 0.154,946 26,947 152,951 21.234,952 9.475,953 5.081,954 2.056,955 85.065,956 16.347,957 4.586,961 4.753,963 18.011,964 551.004,965 45.5,970 11.563,974 -0.083,975 60.774,976 68.521,977 0.246,978 0.599,979 0.822,980 0.904,981 0.909,982 0.909,983 5.083,984 1.874,985 5.969,986 5.638,987 4.615,988 5.106,989 2.496,990 6.742,991 4.541,992 6.264,993 1.564,994 7.498,995 5.291,996 4.111,997 4.89,998 1.668,999 7.526,1000 4.019,1001 7.558,1002 1.523,1003 9.121,1004 4.26,1005 6.176,1006 7.273,1007 3.324,1008 10.603,1009 6.035,1010 8.881,1011 1.228,1012 10.799,1013 3.817,1014 6.463,1015 7.893,1016 3.213,1017 12.218,1018 6.3,1019 10.238,1020 1,1021 12.514,1022 2.714,1023 7.986,1024 9.772,1025 4.506,1026 14.801,1027 7.783,1028 11.616,1029 0.871,1030 14.255,1031 2.275,1032 8.668,1033 10.815,1034 4.752,1035 16.793,1036 8.438,1037 13.015,1038 0.793,1039 16.015,1040 2.013,1041 9.95,1042 12.474,1043 5.816,1044 19.198,1045 9.686,1046 3.054,1047 0.263,1048 17.792,1049 1.854,1050 10.837,1051 13.736,1052 6.248,1053 21.362,1054 10.544,1055 2.968,1056 10.248,1057 19.581,1058 0.656,1059 12.01,1060 15.296,1061 7.175,1062 23.701,1063 11.687,1064 2.681,1065 9.355,1066 21.382,1067 4.458,1068 13.003,1069 16.669,1070 7.714,1071 25.943,1072 12.648,1073 2.4,1074 7.691,1075 23.192,1076 3.931,1077 14.129,1078 18.184,1079 8.557,1080 28.26,1081 13.745,1082 2.33,1083 6.892,1084 25.01,1085 3.17,1086 15.174,1087 19.612,1088 9.16,1089 30.538,1090 14.759,1091 2.142,1092 6.705,1093 26.834,1094 2.992,1095 16.281,1096 21.107,1097 9.952,1098 32.849,1099 15.837,1100 1.932,1101 5.92,1102 28.665,1103 2.684,1104 17.353,1105 22.564,1106 10.594,1107 35.145,1108 16.878,1109 16513,1110 25614,1111 24.849,1112 40.279,1113 53.254,1114 54.928,1115 54.2,1116 53.205,1117 53.244,1118 67.093,1119 9.447,1120 150.654,1121 51.236,1122 5.516,1123 5.653,1124 6.097,1125 5.134,1126 5.054,1127 7.458,1128 3.634,1129 17.078,1130 4.968,1131 11.353,1132 1.479,1133 1.526,1134 1.506,1135 1.478,1136 1.479,1137 1.864,1138 0.262,1139 4.185,1140 1.423,1141 4.08,1142 4.106,1143 4.039,1144 4.001,1145 7.429,1146 4.007,1147 3.996,1148 4.027,1149 3.939,1150 3.907,1151 5.016,1152 3.908,1153 3.84,1154 3.894,1155 3.73,1156 3.691,1157 4.846,1158 3.691,1159 3.566,1160 3.611,1161 3.469,1162 3.431,1163 4.58,1164 3.428,1165 3.517,1166 3.56,1167 3.427,1168 3.334,1169 4.359,1170 3.353,1171 3.409,1172 3.462,1173 3.269,1174 3.229,1175 4.268,1176 3.234,1177 3.127,1178 3.206,1179 3.007,1180 2.966,1181 4.186,1182 2.962,1183 3.111,1184 3.187,1185 2.897,1186 2.941,1187 3.885,1188 2.91,1189 0.125,1190 0.101,1191 0.181,1192 0.112,1193 0.085,1194 4.516,1195 0.124,1196 3.653,1197 0.056,1198 6.517,1199 0.285,1200 4.026,1201 0.082,1202 3.054,1203 4.458,1204 2.03,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.113,1210 2.125,1211 1.478,1212 2.121,1213 1.96,1214 1.932,1215 2.101,1216 2.082,1217 1.222,1218 2.09,1219 1.811,1220 1.76,1221 1.968,1222 1.989,1223 1.154,1224 1.984,1225 1.54,1226 1.496,1227 1.754,1228 1.732,1229 1.006,1230 1.737,1231 1.471,1232 1.422,1233 1.704,1234 1.664,1235 0.825,1236 1.676,1237 1.378,1238 1.329,1239 1.598,1240 1.589,1241 0.807,1242 1.603,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.776,1248 1.429,1249 1.118,1250 1.054,1251 1.425,1252 1.325,1253 0.633,1254 1.353,1255 4.29,1257 5.609,1259 7.125,1261 8.732,1263 10.386,1265 2.008,1271 7.299,1272 2.905,1273 11.577,1275 0.665,1276 2.491,1280 38.057,1281 89.172,1282 216.582,1283 297.51,1284 327.02,1285 329.02,1286 329.02,1287 47.309,1288 8.366,1289 63.69,1290 63.69,1291 30,1292 12.616,1293 4.248,1294 3.392,1295 46.239,1296 174,1297 142,1298 0.127,1299 229.229,1300 399.47,1301 551.08,1302 65169,1304 21.916,1305 0.685,1306 0.577,1307 21.916,1308 18.472,1309 15.636,1310 0.434,1311 0.317,1312 11.266,1313 15.073,1314 11.003,1315 9.057,1316 15.636,1317 11.41,1318 14.204,1319 0.284,1320 0.176,1321 14.204,1322 8.78,1323 11.863,1324 0.183,1325 0.099,1326 11.863,1327 6.405,1328 10.025,1329 0.118,1330 0.055,1331 10.025,1332 4.644,1333 8.573,1334 0.077,1335 0.031,1336 8.573,1337 3.462,1338 0.21,1339 97.64,1340 0.201,1341 30.852,1342 0.322,1343 172,1344 460.83,1345 187.489,1346 439.645,1347 608.41,1348 416,1349 201,1350 449.729,1351 217.073,1352 453.319,1353 664.54,1354 428,1355 8.8} {0 CHEMBL183704,1 1.685,2 7,3 2.559,4 6.549,5 66.886,6 7.558,7 0.333,8 3.546,9 3.683,10 3.113,11 2.995,12 4.726,13 2.993,14 4.058,15 4.252,16 3.449,17 3.367,18 5.341,19 3.343,20 4.2,21 4.41,22 3.405,23 3.429,24 5.325,25 3.382,26 4.268,27 4.496,28 3.337,29 3.395,30 5.375,31 3.343,32 4.236,33 4.467,34 3.325,35 3.344,36 5.39,37 3.281,38 4.301,39 4.568,40 2.982,41 3.191,42 5.476,43 3.101,44 3.892,45 4.146,46 2.437,47 2.932,48 4.787,49 2.721,50 3.755,51 4.141,52 2.323,53 2.281,54 4.826,55 2.099,56 0.143,57 0.483,58 6.397,59 2.344,60 6.444,61 3.443,62 0.293,63 0.718,64 12.05,65 4.118,66 44.018,67 6.006,68 0.211,69 0.78,70 14.036,71 4.244,72 19.051,73 6.637,74 0.337,75 0.752,76 16.136,77 4.318,78 39.703,79 6.727,80 0.231,81 0.717,82 15.318,83 4.593,84 20.001,85 7.135,86 0.651,87 0.623,88 18.913,89 3.783,90 84.926,91 6.124,92 0.179,93 0.443,94 11.187,95 4.084,96 23.756,97 5.949,98 0.374,99 0.252,100 12.521,101 2.49,102 42.498,103 4.771,104 18,105 25,106 0.321,107 0.654,108 0.763,109 0.763,110 0.763,111 0.763,112 2.908,113 0.898,114 -3.35,115 -3.34,116 -3.19,119 35.5,120 2,125 2,140 2,141 2,142 2,157 1,164 2,169 4,171 1,172 2,174 2,175 1,176 2,178 4,182 6,186 4,189 4,193 8,197 2,199 3,203 8,206 1,208 4,218 2,225 1,229 1,236 2,240 2,259 302,260 11.069,261 11.069,262 11.069,263 11.069,264 11.069,265 9.651,266 17.084,267 6.502,268 11.316,269 8.863,270 8.863,271 8.863,272 8.863,273 8.863,274 6.758,275 23.603,276 3.08,277 9.263,278 3.27,279 1.523,280 0.952,281 0.952,282 0.952,283 0.952,284 3.552,288 1,289 1,290 245,291 2.55,294 47.997,295 56.243,302 1.294,303 19.827,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38,315 119,316 4.457,317 3.785,318 6.466,319 4.047,320 3.068,321 4.185,322 2.612,323 9.983,324 3.005,325 4.041,326 3.238,327 5.857,328 3.551,329 2.608,330 3.568,331 1.263,332 7.973,333 2.467,334 3.784,335 2.915,336 5.313,337 3.321,338 2.386,339 3.062,340 0.277,341 6.799,342 2.216,343 3.232,344 2.147,345 4.879,346 2.879,347 1.879,348 2.481,349 0.247,350 5.225,351 1.879,352 2.93,353 1.918,354 4,355 2.317,356 1.351,357 2.032,359 3.259,360 1.304,361 2.268,362 1.484,363 3.488,364 2.092,365 1.121,366 1.246,368 2.556,369 1.085,370 1.811,371 1.101,372 3,373 1.518,374 0.618,375 0.671,377 1.372,378 0.556,379 1.583,380 1,381 3,382 1.376,383 0.419,384 0.474,386 1.053,387 0.4,388 1,389 0.871,390 2.653,391 0.653,392 -0.347,393 -0.445,395 -0.898,396 -0.347,397 1,398 -0.11,399 2.327,400 0.269,401 -0.682,402 -0.767,404 -1.839,405 -0.646,406 0.568,407 -0.323,408 1.693,410 -1,411 -1.229,413 -2,414 -0.979,415 0.213,416 -0.555,417 1.468,418 -0.017,419 -1,420 -1.607,422 -2.615,423 -1,424 -0.232,425 -1.051,426 1.306,427 -0.532,428 -1.518,429 -1.901,431 -3.592,432 -1.431,433 -0.3,434 -1.239,435 1.163,436 -0.576,437 -1.532,438 -2,439 -0.17,440 -4.372,441 -1.456,442 -0.441,443 -1.357,444 1,445 -0.718,446 -1.618,447 -2.036,448 -0.612,449 -4.493,450 -1.532,451 7.767,452 0.457,453 0.511,454 0.03,455 22.25,456 1.309,457 11,458 0.647,459 11.25,460 0.662,461 11.412,462 0.671,463 19.233,464 0.62,465 14.407,466 0.847,467 4.517,468 0.266,469 3.558,470 0.209,471 0.215,473 0.373,479 0.488,480 1.403,481 0.759,482 1.109,483 0.508,484 1.004,485 0.474,486 1.005,487 0.704,488 0.961,489 0.34,490 0.887,491 0.818,492 1.339,493 1.002,494 1.23,495 0.533,496 1.145,497 1.157,498 1.07,499 1.089,500 1.006,501 1.012,502 1.015,503 0.773,504 1.316,505 0.924,506 1.322,507 0.642,508 1.174,509 1.686,510 0.517,511 1.358,512 0.55,513 1.768,514 0.835,515 0.535,516 1.218,517 1.215,518 1.666,519 0.7,520 1.633,521 0.219,522 0.345,523 0.209,524 0.285,525 0.401,526 0.256,527 4,529 2,530 1.222,531 1.319,532 0.416,533 0.261,534 0.14,535 0.068,536 0.049,537 2145,538 6975,539 1.96,540 45.2,541 6,542 6,545 2,550 1.571,551 1.789,552 2.816,553 0.526,555 1,556 1,557 1,559 52.223,560 1.685,561 3.431,562 4.002,563 4.002,564 4.002,565 4.002,566 2.257,567 3.382,568 4.058,569 2.962,570 402.895,571 6.87,572 3606.78,574 1,576 1,577 153.58,578 1.549,579 3.989,580 0.222,582 0.08,583 0.053,584 0.063,585 0.021,586 0.02,587 0.023,588 0.011,589 0.012,590 0.506,591 0.67,592 1,593 0.972,594 69.747,595 0.187,596 -0.08,597 0.046,598 0.021,599 -0.009,600 -0.002,601 0.255,602 0.148,603 0.175,604 0.105,605 0.275,606 0.119,607 -0.115,608 -0.22,609 -0.119,610 -0.203,611 0.013,612 -0.158,613 -0.226,614 -0.052,615 -0.143,616 -0.035,617 -0.131,618 -0.057,619 0.012,620 -0.318,621 0.005,622 -0.316,623 0.078,624 -0.176,625 -0.348,626 0.329,627 -0.293,628 0.281,629 -0.323,630 0.046,631 0.12,632 -0.325,633 -0.298,634 -0.602,635 -0.015,636 -0.572,637 0.694,638 0.18,639 0.952,640 0.512,641 0.46,642 0.747,643 2.38,644 3.71,645 0.647,646 10.837,647 1.015,648 1.145,649 2.122,650 4.504,651 0.637,652 2.944,653 3.258,654 3.466,655 3.664,656 3.761,657 3.738,658 3.714,659 3.555,660 3.367,661 3.219,662 4.398,663 0.618,664 234.29,665 2.944,666 4.466,667 5.293,668 6.159,669 7.009,670 7.877,671 8.735,672 9.603,673 10.465,674 11.333,675 12.9,677 1,680 1,684 1,686 1,688 2,693 4,695 6,707 1,708 1,714 31,716 9,717 1,718 18,720 32,721 11,722 6,723 4,724 2,730 2,731 2,734 1,736 2,745 7,746 4,750 3,752 1,755 2,758 1,759 1,761 1,764 14,765 5,766 2,767 6,773 4,777 1,778 2,792 1,793 1,814 1,819 2,823 2,827 17,833 2,834 2,847 6.5,853 2,854 9.5,855 6.15,856 3.75,857 1.788,858 1.638,859 1.278,860 0.949,861 3.291,862 7.521,863 3.219,864 3.818,865 4.266,866 4.742,867 5.21,868 5.376,869 5.568,870 5.464,871 5.497,872 5.411,873 0.8,874 23,875 6.241,877 2.588,878 8.049,879 11.64,881 9.14,883 2.549,884 43.333,885 0.001,888 141.253,889 54.598,890 58.477,892 50.747,895 54.598,896 192,897 58.477,898 23.32,899 4.211,900 36.963,901 18.011,902 28.67,903 1.899,904 141.253,905 50.747,906 141.253,907 113.075,908 50.747,911 141.253,913 50.747,915 56.658,916 32.736,917 23.681,919 141.253,920 109.224,921 54.598,924 141.253,925 17.995,926 42.273,927 36.022,928 67.532,929 141.253,930 109.224,931 54.598,933 0.586,934 0.336,935 0.172,936 0.088,937 12,938 6,939 0.094,940 3,942 1,943 2.875,944 114.306,946 11,947 61.487,951 11.863,952 4.716,953 2.557,955 103.554,956 3.121,961 2.678,963 36.022,964 305.075,965 24,967 -0.38,970 21.421,973 4.231,974 0.727,975 31.48,976 35.488,977 0.34,978 0.693,979 0.808,980 0.808,981 0.808,982 0.808,983 4.449,984 0.419,985 5.293,986 1.372,987 3.932,988 4.5,989 2.729,990 6.084,991 3.853,992 5.674,993 -0.347,994 6.851,995 1.053,996 3.611,997 4.511,998 2.439,999 6.957,1000 3.514,1001 7,1002 -0.682,1003 8.508,1004 -0.898,1005 5.509,1006 6.703,1007 4.21,1008 10.021,1009 5.358,1010 8.36,1011 -1,1012 10.22,1013 -1.839,1014 5.969,1015 7.476,1016 4.531,1017 11.677,1018 5.8,1019 9.746,1020 -1,1021 11.966,1022 -2,1023 7.37,1024 9.196,1025 5.961,1026 14.263,1027 7.162,1028 11.15,1029 -1.518,1030 13.735,1031 -2.615,1032 8.173,1033 10.298,1034 6.562,1035 16.256,1036 7.951,1037 12.567,1038 -1.532,1039 15.52,1040 -3.592,1041 9.385,1042 11.844,1043 7.797,1044 18.667,1045 9.137,1046 3.068,1047 -1.618,1048 17.318,1049 -4.372,1050 10.347,1051 13.101,1052 8.55,1053 20.817,1054 10.086,1055 2.608,1056 9.983,1057 19.125,1058 -4.493,1059 11.488,1060 14.576,1061 9.671,1062 23.158,1063 11.207,1064 2.386,1065 7.973,1066 20.94,1067 4.185,1068 12.526,1069 15.911,1070 10.509,1071 25.385,1072 12.231,1073 1.879,1074 6.799,1075 22.762,1076 3.568,1077 13.642,1078 17.357,1079 11.563,1080 27.698,1081 13.33,1082 1.351,1083 5.225,1084 24.589,1085 3.062,1086 14.716,1087 18.732,1088 12.452,1089 29.961,1090 14.391,1091 1.121,1092 3.259,1093 26.421,1094 2.481,1095 15.825,1096 20.165,1097 13.468,1098 32.264,1099 15.485,1100 0.618,1101 2.556,1102 28.257,1103 2.032,1104 16.919,1105 21.564,1106 14.386,1107 34.545,1108 16.563,1109 2228,1110 4120,1111 11.444,1112 19.739,1113 26.878,1114 28.257,1115 27.563,1116 26.824,1117 26.901,1118 35.441,1119 8.798,1120 76.437,1121 25.823,1122 5.355,1123 5.785,1124 6.079,1125 5.104,1126 5.068,1127 7.185,1128 4.612,1129 16.817,1130 5.005,1131 9.351,1132 1.493,1133 1.57,1134 1.531,1135 1.49,1136 1.495,1137 1.969,1138 0.489,1139 4.246,1140 1.435,1141 4.028,1142 4.059,1143 3.991,1144 3.915,1145 7.815,1146 3.923,1147 3.77,1148 3.845,1149 3.696,1150 3.529,1151 6.999,1152 3.555,1153 3.538,1154 3.571,1155 3.494,1156 3.14,1157 4.829,1158 3.219,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 4.611,1164 3.101,1165 2.945,1166 3.055,1167 2.79,1168 2.674,1169 3.966,1170 2.683,1171 2.85,1172 2.93,1173 2.609,1174 2.509,1175 3.8,1176 2.558,1177 2.551,1178 2.698,1179 2.301,1180 2.229,1181 3.608,1182 2.191,1183 2.429,1184 2.537,1185 2.174,1186 2.187,1187 3.488,1188 2.189,1189 0.248,1190 0.21,1191 0.359,1192 0.225,1193 0.17,1194 4.457,1195 0.233,1196 3.785,1197 0.145,1198 6.466,1199 0.555,1200 4.047,1201 0.167,1202 3.068,1203 4.185,1204 2.612,1205 9.983,1206 3.005,1207 1.957,1208 1.932,1209 2.052,1210 2.104,1211 1.204,1212 2.076,1213 1.446,1214 1.363,1215 1.73,1216 1.772,1217 1.004,1218 1.704,1219 1.365,1220 1.308,1221 1.639,1222 1.681,1223 0.719,1224 1.674,1225 1.303,1226 1.226,1227 1.488,1228 1.571,1229 0.502,1230 1.557,1231 1.22,1232 1.147,1233 1.439,1234 1.507,1235 0.443,1236 1.532,1237 0.783,1238 0.701,1239 1.035,1240 1.139,1241 0.072,1242 1.154,1243 0.533,1244 0.44,1245 0.879,1246 0.917,1248 0.916,1249 0.477,1250 0.374,1251 0.845,1252 0.726,1254 0.784,1255 3.611,1257 4.92,1258 2.398,1259 6.409,1260 4.443,1261 7.988,1262 6.26,1263 9.62,1265 3.69,1271 1.584,1272 6.262,1280 19.149,1281 52.223,1282 106.361,1283 124.07,1284 124.07,1285 124.07,1286 124.07,1287 27.33,1288 5.883,1289 82.24,1290 82.24,1291 11,1292 11.879,1293 3.322,1294 2.807,1295 28.368,1296 44,1297 37,1298 0.33,1299 122.032,1300 211.62,1301 289.518,1302 2037,1304 12.414,1305 0.73,1306 0.575,1307 12.414,1308 9.78,1309 8.075,1310 0.449,1311 0.299,1312 5.288,1313 7.629,1314 5.104,1315 4.28,1316 8.075,1317 5.387,1318 7.48,1319 0.299,1320 0.16,1321 7.48,1322 3.994,1323 5.834,1324 0.188,1325 0.085,1326 5.834,1327 2.646,1328 4.602,1329 0.121,1330 0.049,1331 4.602,1332 1.843,1333 3.291,1334 0.078,1335 0.023,1336 3.291,1337 0.967,1338 0.497,1339 51.668,1340 0.296,1341 16.99,1342 0.965,1343 86,1344 297.427,1345 97.838,1346 285.064,1347 377.69,1348 262,1349 99,1350 279.421,1351 110.509,1352 277.217,1353 396.62,1354 258,1355 6.481} {0 CHEMBL184597,1 1.583,2 11.346,3 3.373,4 11.378,5 99.861,6 7.499,7 0.552,8 3.958,9 4.086,10 3.533,11 3.504,12 5.057,13 3.486,14 4.507,15 4.686,16 3.9,17 3.919,18 5.58,19 3.879,20 4.786,21 5.001,22 3.928,23 4.057,24 5.827,25 3.978,26 4.874,27 5.134,28 3.807,29 3.995,30 5.856,31 3.89,32 4.749,33 5.017,34 3.718,35 3.879,36 5.712,37 3.779,38 4.563,39 4.789,40 3.7,41 3.806,42 5.74,43 3.721,44 4.513,45 4.745,46 3.595,47 3.747,48 5.558,49 3.652,50 4.485,51 4.741,52 3.464,53 3.635,54 5.487,55 3.533,56 0.057,57 0.787,58 9.467,59 4.244,60 7.412,61 5.53,62 0.177,63 1.275,64 18.158,65 7.08,66 20.637,67 9.639,68 0.243,69 1.559,70 25.897,71 9.7,72 41.543,73 13.198,74 0.369,75 1.523,76 30.574,77 10.028,78 55.656,79 14.37,80 0.408,81 1.299,82 27.366,83 9.013,84 50.419,85 12.953,86 0.424,87 1.195,88 21.237,89 7.45,90 63.923,91 10.57,92 0.283,93 1.121,94 20.168,95 7.228,96 36.844,97 10.213,98 0.243,99 1.056,100 20.473,101 7.067,102 35.284,103 9.969,104 10,105 41,106 0.269,107 0.625,108 0.769,109 0.826,110 0.826,111 0.826,112 3.304,113 0.914,114 -4.34,115 -4.28,116 -4.04,119 42.6,121 2,122 1,124 1,125 2,140 7,141 2,142 2,144 1,150 1,156 1,166 1,169 8,172 5,174 1,176 5,178 8,182 6,186 8,189 7,193 6,197 3,199 5,203 3,206 2,207 1,208 1,211 9,214 1,215 1,220 2,222 10,225 1,226 3,229 1,231 1,233 5,237 5,240 1,242 2,244 4,249 2,254 2,256 6,259 968,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 15.629,266 20.514,267 10.251,268 17.879,269 14.303,270 14.303,271 14.303,272 14.303,273 14.303,274 11.279,275 25.416,276 4.898,277 14.743,278 3.972,279 1.879,280 1.03,281 0.697,282 0.697,283 0.697,284 4.002,287 1,288 1,289 1,290 646,291 2.828,294 59.335,295 232.544,298 105.574,302 1.68,303 26.687,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.5,315 295,316 4.587,317 3.574,318 6.719,319 4.156,320 3.174,321 4.52,322 1.058,323 10.946,324 3.117,325 4.193,326 3.295,327 6.057,328 3.837,329 2.839,330 3.763,331 0.8,332 8.718,333 2.829,334 3.82,335 2.885,336 5.772,337 3.568,338 2.595,339 3.214,341 7.868,342 2.53,343 3.667,344 2.782,345 5.262,346 3.315,347 2.367,348 2.974,350 6.675,351 2.237,352 3.5,353 2.536,354 5.034,355 3.152,356 2.207,357 2.798,359 6.012,360 2.073,361 3.295,362 2.243,363 4.997,364 3.02,365 2.065,366 2.391,368 5.916,369 1.96,370 2.856,371 1.96,372 4.547,373 2.484,374 1.502,375 1.965,377 4.361,378 1.473,379 2.775,380 1.522,381 4.06,382 2.29,383 1.296,384 1.798,386 3.407,387 1.272,388 2.543,389 1.18,390 3.933,391 2.093,392 1.115,393 1.547,395 2.953,396 1.085,397 2.5,398 1.077,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.041,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.753,417 3.241,418 1.603,419 0.622,420 0.86,422 1.52,423 0.609,424 1.22,425 0.497,426 2.787,427 0.908,428 -0.057,429 -0.067,431 -0.138,432 -0.054,433 1.113,434 0.334,435 2.486,436 0.719,437 -0.221,438 -0.251,440 -0.489,441 -0.204,442 0.841,443 -0.03,444 2.267,445 0.623,446 -0.361,447 -0.467,449 -0.849,450 -0.347,451 12.219,452 0.47,453 0.661,454 0.025,455 32.75,456 1.26,457 16,458 0.615,459 16.75,460 0.644,461 21.021,462 0.809,463 27.981,464 0.595,465 23.631,466 0.909,467 6.435,468 0.247,469 6.163,470 0.237,471 0.092,473 0.36,477 1,479 0.617,480 1.088,481 0.754,482 1.024,483 0.509,484 0.932,485 0.709,486 1.054,487 0.845,488 0.988,489 0.499,490 0.942,491 0.911,492 1.114,493 1.019,494 1.135,495 0.796,496 1.103,497 0.928,498 0.928,499 0.997,500 0.986,501 0.827,502 0.993,503 0.778,504 0.652,505 0.854,506 0.786,507 0.792,508 0.822,509 0.605,510 0.838,511 0.946,512 1,513 0.549,514 1.026,515 0.694,516 0.942,517 0.978,518 1.048,519 0.65,520 1.059,521 0.83,522 0.904,523 0.933,524 0.977,525 0.8,526 0.974,527 5.5,528 0.104,529 3.333,530 1.507,531 1.383,532 0.782,533 0.454,534 0.466,535 0.3,536 0.136,537 8422,538 22237,539 2.124,540 44.7,542 14,545 2,546 1,547 4,550 1.689,551 2,552 3.474,553 0.251,554 1,555 1,559 74.388,560 1.583,561 3.675,562 4.525,563 4.858,564 4.858,565 4.858,566 2.917,567 3.95,568 4.67,569 3.586,570 1165.32,571 8.086,572 14530.1,574 1,576 1,577 261.066,578 1.37,579 4.637,580 0.19,581 0.006,582 0.081,583 0.038,584 0.041,585 0.024,586 0.015,587 0.017,588 0.013,589 0.006,590 0.43,591 0.33,592 1,593 0.54,594 127.614,595 0.004,596 -0.016,597 0.048,598 0.014,599 -0.012,600 0.033,601 -0.004,602 -0.043,603 0.022,604 0.011,605 0.071,606 0.022,607 -0.08,608 -0.136,609 -0.094,610 -0.137,611 0.004,612 -0.121,613 -0.08,614 -0.068,615 -0.017,616 -0.038,617 -0.018,618 -0.015,619 0.012,620 0.123,621 0.129,622 0.155,623 -0.018,624 0.162,625 0.199,626 0.073,627 -0.01,628 -0.032,629 0.205,630 -0.054,631 0.06,632 -0.038,633 -0.044,634 -0.073,635 0.03,636 -0.077,637 -0.014,638 -0.049,639 0.04,640 -0.013,641 -0.004,642 0.017,643 2.024,644 5.36,645 0.808,646 23.42,647 1.004,648 1.134,649 3.113,650 9.692,651 0.665,652 3.401,653 3.738,654 4.007,655 4.263,656 4.511,657 4.585,658 4.691,659 4.844,660 4.905,661 4.963,662 6.423,663 0.637,664 352.45,665 3.401,666 4.949,667 5.802,668 6.681,669 7.552,670 8.436,671 9.315,672 10.202,673 11.086,674 11.976,675 8.5,678 1,682 1,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,702 1,713 1,714 47,716 17,717 2,718 29,720 50,721 20,722 13,723 5,724 7,725 1,730 4,731 5,740 2,741 1,743 2,745 14,746 6,747 1,750 1,755 1,759 1,760 1,761 1,762 1,764 21,765 5,766 2,767 6,773 4,777 0.75,778 1,784 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 26,833 4,834 1,837 1,838 1,846 1,847 2.1,850 1,854 13,855 8.626,856 5.611,857 2.869,858 3.019,859 1.399,860 1.015,861 4.644,862 10.583,863 3.664,864 4.273,865 4.867,866 5.457,867 5.98,868 6.283,869 6.649,870 7.043,871 7.199,872 7.523,873 0.875,874 40,875 9.65,877 4.194,878 7.808,879 18.492,881 15.604,883 2.308,884 60,887 1,888 223.651,889 111.252,890 54.461,892 25.145,893 14.96,895 111.252,896 248.796,897 69.421,898 8.396,899 27.291,900 66.334,901 46.513,902 39.568,903 17.717,904 223.651,906 223.651,907 165.714,908 40.105,911 191.527,912 72.229,915 49.223,916 99.828,917 16.663,919 238.611,920 79.606,921 111.252,924 223.651,925 36.522,926 77.854,927 34.674,928 56.768,929 223.651,930 94.566,931 111.252,933 0.588,934 0.339,935 0.176,936 0.101,937 21,938 9,939 0.06,940 3,941 1,942 1.095,943 3.856,944 221.096,945 0.095,946 21,947 114.211,951 17.046,952 7.083,953 3.614,954 1.954,955 77.903,956 11.232,957 4.408,958 3.194,961 1.923,963 34.674,964 429.469,965 38,970 12.36,974 -0.256,975 47.2,976 53.279,977 0.285,978 0.662,979 0.815,980 0.875,981 0.875,982 0.875,983 4.905,984 1.296,985 5.79,986 4.361,987 4.419,988 4.959,989 1.435,990 6.592,991 4.365,992 6.109,993 1.115,994 7.344,995 3.407,996 4.007,997 4.783,998 0.325,999 7.466,1000 3.917,1001 7.415,1002 1,1003 8.994,1004 2.953,1005 6.009,1006 7.172,1007 1.379,1008 10.552,1009 5.912,1010 8.756,1011 1,1012 10.701,1013 2.275,1014 6.399,1015 7.849,1016 0.268,1017 12.275,1018 6.279,1019 10.129,1020 0.622,1021 12.445,1022 2.275,1023 7.874,1024 9.717,1025 1.406,1026 14.886,1027 7.747,1028 11.526,1029 -0.057,1030 14.216,1031 1.52,1032 8.638,1033 10.809,1034 0.188,1035 16.977,1036 8.498,1037 12.943,1038 -0.221,1039 16.008,1040 -0.138,1041 9.899,1042 12.461,1043 1.462,1044 19.431,1045 9.749,1046 3.174,1047 -0.361,1048 17.816,1049 -0.489,1050 10.85,1051 13.762,1052 0.125,1053 21.688,1054 10.688,1055 2.839,1056 10.946,1057 19.638,1058 -0.849,1059 12.024,1060 15.322,1061 1.533,1062 24.091,1063 11.85,1064 2.595,1065 8.718,1066 21.472,1067 4.52,1068 13.067,1069 16.727,1070 0.082,1071 26.42,1072 12.881,1073 2.367,1074 7.868,1075 23.314,1076 3.763,1077 14.209,1078 18.249,1079 1.613,1080 28.808,1081 14.01,1082 2.207,1083 6.675,1084 25.165,1085 3.214,1086 15.299,1087 19.705,1088 0.054,1089 31.17,1090 15.085,1091 2.065,1092 6.012,1093 27.023,1094 2.974,1095 16.433,1096 21.213,1097 1.698,1098 33.556,1099 16.203,1100 1.502,1101 5.916,1102 28.887,1103 2.798,1104 17.546,1105 22.694,1106 0.035,1107 35.933,1108 17.301,1109 7956,1110 13100,1111 19.592,1112 31.267,1113 44.103,1114 44.915,1115 45.037,1116 43.67,1117 43.564,1118 56.664,1119 3.717,1120 125.856,1121 42.336,1122 5.587,1123 5.574,1124 6.133,1125 5.191,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.117,1131 11.599,1132 1.521,1133 1.549,1134 1.553,1135 1.506,1136 1.502,1137 1.954,1138 0.128,1139 4.34,1140 1.46,1141 4.13,1142 4.171,1143 4.093,1144 4.025,1145 8.201,1146 4.036,1147 3.919,1148 3.944,1149 3.874,1150 3.84,1151 7.429,1152 3.843,1153 3.806,1154 3.871,1155 3.686,1156 3.664,1157 5.073,1158 3.66,1159 3.483,1160 3.549,1161 3.423,1162 3.256,1163 4.606,1164 3.286,1165 3.261,1166 3.324,1167 3.178,1168 3.05,1169 4.421,1170 3.073,1171 3.126,1172 3.206,1173 2.973,1174 2.941,1175 4.331,1176 2.91,1177 3.111,1178 3.198,1179 2.866,1180 2.897,1181 3.865,1182 2.903,1183 2.887,1184 2.948,1185 2.755,1186 2.759,1187 3.708,1188 2.752,1189 0.158,1190 0.123,1191 0.232,1192 0.143,1193 0.109,1194 4.587,1195 0.156,1196 3.574,1197 0.036,1198 6.719,1199 0.377,1200 4.156,1201 0.107,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.117,1207 1.965,1208 1.94,1209 2.082,1210 2.067,1211 1.439,1212 2.074,1213 1.886,1214 1.862,1215 2,1216 2.008,1217 1.13,1218 2.007,1219 1.803,1220 1.749,1221 1.948,1222 1.939,1223 1.054,1224 1.943,1225 1.386,1226 1.304,1227 1.625,1228 1.685,1229 0.825,1230 1.657,1231 1.217,1232 1.181,1233 1.513,1234 1.494,1235 0.771,1236 1.466,1237 1.153,1238 1.064,1239 1.408,1240 1.394,1241 0.486,1242 1.429,1243 1.106,1244 1.01,1245 1.306,1246 1.376,1247 0.302,1248 1.392,1249 0.886,1250 0.832,1251 1.181,1252 1.065,1253 0.249,1254 1.107,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.528,1262 6.843,1263 10.173,1265 2.143,1267 13.016,1271 4.346,1272 2.886,1275 0.458,1276 2.337,1280 29.925,1281 74.388,1282 172.743,1283 212.659,1284 228.311,1285 228.311,1286 228.311,1287 44.824,1288 7.564,1289 61.02,1290 61.02,1291 23,1292 12.506,1293 4.17,1294 3.322,1295 38.116,1296 101,1297 104,1298 0.187,1299 181.996,1300 310.16,1301 435.831,1302 20221,1303 2.1,1304 18.096,1305 0.696,1306 0.563,1307 17.225,1308 14.628,1309 12.597,1310 0.434,1311 0.305,1312 8.712,1313 12.106,1314 8.521,1315 7.04,1316 12.204,1317 8.835,1318 11.597,1319 0.283,1320 0.168,1321 10.975,1322 6.908,1323 9.814,1324 0.182,1325 0.094,1326 9.403,1327 5.075,1328 7.949,1329 0.114,1330 0.05,1331 7.797,1332 3.521,1333 6.608,1334 0.073,1335 0.029,1336 6.397,1337 2.579,1338 0.294,1339 79.041,1340 0.226,1341 25.189,1342 0.509,1343 140,1344 429.803,1345 153.289,1346 394.497,1347 533.32,1348 368,1349 165,1350 390.435,1351 178.313,1352 391.441,1353 570.04,1354 368,1355 5.509} {0 CHEMBL184994,1 1.574,2 11.37,3 2.895,4 8.383,5 103.903,6 7.245,7 0.4,8 4.034,9 4.156,10 3.582,11 3.546,12 5.083,13 3.53,14 4.613,15 4.797,16 3.948,17 3.951,18 5.643,19 3.917,20 4.908,21 5.127,22 4.013,23 4.127,24 5.906,25 4.055,26 4.972,27 5.219,28 3.89,29 4.129,30 5.898,31 4.011,32 4.945,33 5.205,34 3.848,35 4.083,36 5.819,37 3.959,38 4.87,39 5.12,40 3.824,41 3.99,42 5.906,43 3.882,44 4.748,45 4.995,46 3.695,47 3.879,48 5.7,49 3.773,50 4.634,51 4.884,52 3.597,53 3.748,54 5.627,55 3.65,56 0.025,57 0.814,58 10.908,59 4.758,60 5.735,61 6.283,62 0.244,63 1.332,64 21.625,65 7.687,66 23.783,67 10.6,68 0.413,69 1.669,70 30.695,71 10.517,72 45.449,73 14.543,74 0.417,75 1.638,76 33.511,77 11.973,78 52.127,79 16.741,80 0.372,81 1.509,82 32.919,83 11.793,84 47.712,85 16.92,86 0.608,87 1.438,88 30.872,89 10.2,90 76.225,91 14.724,92 0.47,93 1.285,94 27.096,95 9.038,96 45.255,97 12.908,98 0.274,99 1.152,100 24.083,101 8.295,102 39.144,103 11.616,104 10,105 42,106 0.265,107 0.586,108 0.765,109 0.835,110 0.835,111 0.835,112 3.34,113 0.939,114 -4.1,115 -4.04,116 -3.83,119 41.2,121 2,124 1,125 4,127 1,140 7,141 1,142 4,156 1,169 5,172 7,174 1,176 3,178 6,181 1,182 5,186 3,189 3,192 1,193 5,195 1,197 2,199 4,203 3,206 1,211 7,214 1,215 2,220 2,222 8,225 2,226 4,233 2,237 7,240 1,244 2,249 2,256 4,259 1108,260 18.309,261 18.309,262 18.309,263 18.309,264 18.309,265 16.741,266 28.778,267 10.737,268 18.753,269 14.803,270 14.803,271 14.803,272 14.803,273 14.803,274 12.384,275 46.301,276 5.123,277 15.531,278 4.099,279 2.197,280 1.136,281 0.721,282 0.721,283 0.721,284 4.039,287 1,288 1,289 1,290 670,291 2.828,295 303.834,299 117.796,302 1.643,303 28.283,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 59,315 307,316 4.396,317 3.576,318 6.702,319 4.094,320 3.149,321 3.981,322 1.058,323 10.891,324 2.976,325 4.185,326 3.403,327 6.057,328 3.835,329 2.839,330 3.754,331 0.86,332 8.719,333 2.821,334 3.784,335 2.885,336 5.792,337 3.567,338 2.607,339 3.092,340 0.8,341 7.931,342 2.502,343 3.653,344 2.841,345 5.261,346 3.307,347 2.365,348 2.877,349 0.8,350 6.673,351 2.22,352 3.463,353 2.585,354 5.045,355 3.155,356 2.221,357 2.663,359 6.046,360 2.068,361 3.251,362 2.427,363 4.997,364 3.026,365 2.088,366 2.302,368 5.923,369 1.943,370 2.796,371 1.966,372 4.581,373 2.503,374 1.548,375 1.867,377 4.487,378 1.474,379 2.769,380 1.808,381 4.059,382 2.365,383 1.428,384 1.786,386 3.476,387 1.327,388 2.5,389 1.671,390 3.951,391 2.24,392 1.241,393 1.5,395 3.178,396 1.223,397 2.464,398 1.077,399 3.414,400 2,401 1,402 1.459,404 2.275,405 1,406 2.031,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.999,417 3.372,418 1.752,419 0.808,420 0.961,422 1.981,423 0.757,424 1.292,425 0.605,426 2.83,427 1.018,428 0.063,429 0.072,431 0.155,432 0.059,433 1.114,434 0.396,435 2.574,436 0.757,437 -0.174,438 -0.19,440 -0.394,441 -0.159,442 0.874,443 0.11,444 2.389,445 0.65,446 -0.307,447 -0.38,449 -0.682,450 -0.284,451 12.652,452 0.469,453 0.661,454 0.024,455 33,456 1.222,457 15,458 0.556,459 18,460 0.667,461 23.124,462 0.856,463 29.948,464 0.587,465 24.322,466 0.901,467 6.495,468 0.241,469 6.602,470 0.245,471 0.088,473 0.34,477 1,479 0.687,480 1.278,481 0.776,482 1.169,483 0.519,484 1.019,485 0.898,486 1.068,487 0.905,488 0.985,489 0.522,490 0.94,491 1.022,492 1.019,493 1.044,494 1.013,495 0.792,496 1.019,497 0.813,498 0.87,499 1.002,500 1.033,501 0.777,502 1.05,503 0.631,504 0.821,505 0.837,506 0.966,507 0.667,508 0.952,509 0.73,510 0.793,511 0.923,512 0.931,513 0.479,514 0.96,515 0.813,516 0.868,517 0.977,518 0.958,519 0.633,520 0.988,521 0.866,522 0.914,523 0.904,524 1.009,525 0.913,526 0.971,527 5.5,528 0.115,529 3.333,530 1.5,531 1.511,532 0.806,533 0.542,534 0.476,535 0.332,536 0.138,537 9112,538 23439,539 2.12,540 47.1,542 19,545 1,548 4,550 1.701,551 2,552 3.47,553 -0.346,554 1,555 1,559 80.261,560 1.574,561 3.475,562 4.537,563 4.952,564 4.952,565 4.952,566 2.904,567 4.385,568 4.725,569 3.586,570 1258.83,571 8.204,572 16064,574 1,576 1,577 289.294,578 1.352,579 4.694,580 0.183,581 0.006,582 0.079,583 0.035,584 0.041,585 0.022,586 0.016,587 0.016,588 0.012,589 0.006,590 0.417,591 0.67,592 1,593 0.528,594 133.818,595 -0.023,596 -0.182,597 0.063,598 -0.079,599 -0.013,600 -0.008,601 -0.052,602 -0.042,603 0.011,604 0.008,605 0.064,606 0.023,607 -0.094,608 -0.02,609 -0.09,610 -0.037,611 0.001,612 -0.054,613 -0.032,614 0.015,615 -0.054,616 -0.053,617 -0.002,618 -0.056,619 0.044,620 -0.048,621 0.105,622 0.014,623 0.017,624 0.059,625 0.133,626 0.049,627 0.045,628 0.024,629 0.186,630 0.016,631 0.048,632 -0.004,633 -0.012,634 -0.002,635 0.014,636 -0.014,637 -0.006,638 -0.057,639 0.065,640 -0.046,641 -0.003,642 0.013,643 2.022,644 5.429,645 0.815,646 24.412,647 1.004,648 1.134,649 2.868,650 8.223,651 0.652,652 3.434,653 3.761,654 4.025,655 4.277,656 4.564,657 4.605,658 4.718,659 4.86,660 4.963,661 4.99,662 6.453,663 0.621,664 369.48,665 3.434,666 4.977,667 5.826,668 6.701,669 7.568,670 8.447,671 9.321,672 10.203,673 11.082,674 11.966,675 5.9,678 1,681 1,682 1,688 7,693 5,695 12,702 1,709 1,712 1,713 1,714 51,716 13,717 2,718 30,720 54,721 21,722 12,723 5,724 7,725 1,730 4,731 5,740 3,743 3,745 13,746 8,750 1,755 1,759 1,760 1,761 1,762 1,764 24,765 6,766 1,767 6,773 3,777 0.75,778 2,793 4,797 1,815 1,819 3,823 1,825 1,827 27,833 6,834 1,835 1,837 1,838 2,846 1,847 3.9,850 1,852 1,854 13.5,855 9.293,856 5.861,857 3.152,858 2.153,859 1.282,860 0.989,861 5.325,862 9.785,863 3.638,864 4.174,865 4.677,866 5.175,867 5.698,868 5.832,869 6.069,870 6.349,871 6.637,872 6.86,873 0.875,874 43,875 10.05,877 4.336,878 7.772,879 19.382,881 16.285,883 2.272,884 61.333,887 1,888 270.735,889 118.477,890 24.259,892 36.145,893 14.96,895 118.477,896 306.88,897 39.219,898 8.396,899 33.989,900 66.334,901 29.85,902 40.312,903 14.96,904 270.735,906 270.735,907 142.736,908 51.105,911 238.611,912 83.229,915 37.114,916 105.623,919 285.695,920 60.404,921 118.477,924 270.735,925 43.747,926 80.979,927 18.011,928 51.105,929 270.735,930 75.364,931 118.477,933 0.585,934 0.338,935 0.177,936 0.105,937 21,938 9,939 0.056,940 3,941 1,942 1.091,943 3.91,944 233.489,945 0.091,946 22,947 120.382,951 18.268,952 7.87,953 4.095,955 75.364,956 11.284,961 2.683,963 18.011,964 464.576,965 37,970 12.429,974 -0.252,975 51.192,976 57.821,977 0.277,978 0.613,979 0.8,980 0.873,981 0.873,982 0.873,983 4.89,984 1.428,985 5.808,986 4.487,987 4.443,988 4.86,989 1.893,990 6.603,991 4.354,992 6.063,993 1.241,994 7.357,995 3.476,996 4.007,997 4.59,998 0.57,999 7.466,1000 3.859,1001 7.35,1002 1,1003 9.003,1004 3.178,1005 6.023,1006 6.93,1007 1.709,1008 10.555,1009 5.852,1010 8.666,1011 1,1012 10.706,1013 2.275,1014 6.382,1015 7.446,1016 0.479,1017 12.261,1018 6.155,1019 10.014,1020 0.808,1021 12.447,1022 2.275,1023 7.872,1024 9.294,1025 1.641,1026 14.876,1027 7.622,1028 11.383,1029 0.063,1030 14.216,1031 1.981,1032 8.611,1033 10.185,1034 0.346,1035 16.953,1036 8.308,1037 12.769,1038 -0.174,1039 16.006,1040 0.155,1041 9.879,1042 11.813,1043 1.626,1044 19.407,1045 9.548,1046 3.149,1047 -0.307,1048 17.812,1049 -0.394,1050 10.809,1051 12.904,1052 0.237,1053 21.651,1054 10.426,1055 2.839,1056 10.891,1057 19.631,1058 -0.682,1059 11.984,1060 14.418,1061 1.645,1062 24.051,1063 11.565,1064 2.607,1065 8.719,1066 21.461,1067 3.981,1068 13.011,1069 15.623,1070 0.158,1071 26.371,1072 12.54,1073 2.365,1074 7.931,1075 23.301,1076 3.754,1077 14.15,1078 17.074,1079 1.689,1080 28.755,1081 13.636,1082 2.221,1083 6.673,1084 25.149,1085 3.092,1086 15.227,1087 18.345,1088 0.104,1089 31.109,1090 14.659,1091 2.088,1092 6.046,1093 27.004,1094 2.877,1095 16.354,1096 19.761,1097 1.749,1098 33.491,1099 15.738,1100 1.548,1101 5.923,1102 28.865,1103 2.663,1104 17.456,1105 21.071,1106 0.068,1107 35.861,1108 16.785,1109 8627,1110 14026,1111 20.285,1112 33.239,1113 45.098,1114 46.237,1115 46.155,1116 44.821,1117 44.712,1118 54.627,1119 7.037,1120 128.023,1121 42.706,1122 5.396,1123 5.576,1124 6.232,1125 5.201,1126 5.149,1127 6.981,1128 2.117,1129 18.045,1130 4.976,1131 11.882,1132 1.503,1133 1.541,1134 1.538,1135 1.494,1136 1.49,1137 1.821,1138 0.235,1139 4.267,1140 1.424,1141 4.025,1142 4.062,1143 3.971,1144 3.911,1145 8.201,1146 3.92,1147 3.907,1148 3.937,1149 3.855,1150 3.821,1151 7.429,1152 3.824,1153 3.804,1154 3.858,1155 3.692,1156 3.665,1157 4.867,1158 3.663,1159 3.503,1160 3.567,1161 3.401,1162 3.293,1163 4.601,1164 3.305,1165 3.281,1166 3.331,1167 3.212,1168 3.06,1169 4.37,1170 3.095,1171 3.218,1172 3.29,1173 3.036,1174 2.991,1175 4.336,1176 2.985,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.943,1182 2.91,1183 2.907,1184 2.975,1185 2.772,1186 2.743,1187 3.726,1188 2.738,1189 0.147,1190 0.119,1191 0.223,1192 0.136,1193 0.105,1194 4.396,1195 0.133,1196 3.576,1197 0.035,1198 6.702,1199 0.363,1200 4.094,1201 0.099,1202 3.149,1203 3.981,1204 1.058,1205 10.891,1206 2.976,1207 1.951,1208 1.921,1209 2.078,1210 2.1,1211 1.428,1212 2.095,1213 1.885,1214 1.859,1215 1.998,1216 2.002,1217 1.151,1218 2.002,1219 1.786,1220 1.731,1221 1.947,1222 1.941,1223 1.06,1224 1.945,1225 1.456,1226 1.391,1227 1.703,1228 1.687,1229 0.93,1230 1.692,1231 1.217,1232 1.138,1233 1.572,1234 1.484,1235 0.825,1236 1.516,1237 1.156,1238 1.112,1239 1.513,1240 1.411,1241 0.724,1242 1.429,1243 1.153,1244 1.064,1245 1.278,1246 1.376,1247 0.393,1248 1.375,1249 0.89,1250 0.829,1251 1.189,1252 1.13,1253 0.271,1254 1.152,1255 4.111,1257 5.434,1259 6.957,1261 8.57,1263 10.227,1265 2.159,1267 13.055,1271 5.984,1272 2.906,1273 5.817,1275 0.493,1276 4.774,1280 31.672,1281 80.261,1282 177.236,1283 231.378,1284 252.539,1285 252.539,1286 252.539,1287 47.001,1288 7.632,1289 44.81,1290 44.81,1291 24,1292 12.5,1293 3.807,1294 3,1295 40.208,1296 104,1297 113,1298 0.189,1299 191.718,1300 338.79,1301 459.551,1302 22225,1303 2,1304 18.803,1305 0.696,1306 0.572,1307 17.933,1308 15.45,1309 13.097,1310 0.437,1311 0.313,1312 9.237,1313 12.509,1314 9.049,1315 7.436,1316 12.704,1317 9.39,1318 11.951,1319 0.285,1320 0.172,1321 11.329,1322 7.22,1323 10.055,1324 0.183,1325 0.097,1326 9.645,1327 5.351,1328 8.158,1329 0.115,1330 0.054,1331 8.006,1332 3.806,1333 7.056,1334 0.074,1335 0.03,1336 6.845,1337 2.84,1338 0.296,1339 82.578,1340 0.222,1341 25.922,1342 0.519,1343 144,1344 451.205,1345 160.138,1346 405.175,1347 546.01,1348 380,1349 169,1350 394.607,1351 185.162,1352 391.632,1353 574.01,1354 369,1355 5.638} {0 CHEMBL186919,1 1.361,2 5.714,3 2.665,4 7.101,5 59.562,6 6.527,7 0.4,8 3.446,9 3.599,10 2.906,11 2.954,12 4.441,13 2.911,14 3.97,15 4.193,16 3.214,17 3.31,18 4.9,19 3.234,20 4.103,21 4.345,22 3.111,23 3.344,24 4.984,25 3.232,26 4.101,27 4.366,28 2.95,29 3.28,30 4.93,31 3.144,32 4.089,33 4.371,34 2.89,35 3.214,36 4.884,37 3.052,38 4.012,39 4.325,40 2.647,41 3.06,42 4.779,43 2.904,44 3.77,45 4.054,46 1.796,47 2.845,48 4.363,49 2.537,50 3.581,51 4.032,52 0.553,53 2.088,54 3.807,55 1.583,56 0.039,57 0.443,58 6.881,59 2.418,60 5.291,61 3.737,62 0.161,63 0.676,64 12.039,65 4.127,66 12.49,67 6.266,68 0.115,69 0.724,70 13.791,71 4.304,72 14.463,73 6.949,74 0.141,75 0.685,76 13.876,77 4.158,78 14.784,79 6.782,80 0.081,81 0.642,82 13.484,83 4.623,84 15.044,85 7.271,86 0.17,87 0.569,88 12.918,89 3.407,90 16.495,91 5.813,92 0.052,93 0.417,94 9.598,95 3.891,96 7.465,97 5.742,98 0.069,99 0.22,100 8.222,101 2.794,102 8.353,103 4.411,104 5,105 20,106 0.268,107 0.625,108 0.75,109 0.768,110 0.768,111 0.768,112 2.733,113 0.977,114 -3.35,115 -3.34,116 -3.2,119 37.9,120 2,125 2,140 3,141 2,142 1,157 1,169 6,174 2,175 1,176 2,178 6,186 4,189 6,193 2,197 3,199 3,203 4,208 4,215 1,220 1,259 182,260 9.414,261 9.414,262 9.414,263 9.414,264 9.414,265 8.273,266 12.131,267 5.671,268 9.605,269 7.395,270 7.395,271 7.395,272 7.395,273 7.395,274 5.771,275 14.625,276 2.688,277 7.718,278 3.497,279 1.68,280 1.044,281 0.949,282 0.949,283 0.949,284 3.373,288 1,289 1,290 167,291 1.732,294 35.31,295 43.995,302 0.796,303 6.599,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 29.5,315 80,316 4.347,317 3.243,318 6.412,319 3.969,320 2.991,321 3.997,322 1.263,323 9.752,324 2.928,325 3.814,326 2.913,327 5.325,328 3.38,329 2.463,330 3.081,331 0.277,332 6.885,333 2.253,334 3.232,335 2.147,336 4.841,337 2.879,338 1.879,339 2.481,340 0.247,341 5.104,342 1.879,343 2.888,344 1.649,345 4,346 2.466,347 1.492,348 2.048,350 3.494,351 1.452,352 2.254,353 1.329,354 3.425,355 2.11,356 1.151,357 1.232,359 2.517,360 1.1,361 1.794,362 1.091,363 3,364 1.518,365 0.618,366 0.669,368 1.372,369 0.556,370 1.51,371 0.762,372 2.831,373 1.318,374 0.359,375 0.4,377 0.855,378 0.343,379 1,380 -0.11,381 2.352,382 0.653,383 -0.347,384 -0.445,386 -0.757,387 -0.347,388 0.521,389 -0.323,390 2.127,391 0.257,392 -0.695,393 -0.772,395 -1.841,396 -0.661,397 0.045,398 -1.018,399 1.353,400 -0.25,401 -1.246,402 -1.498,404 -3.049,405 -1.24,406 -0.232,407 -1.06,408 1.32,409 -0.532,410 -1.532,411 -1.726,413 -3.731,414 -1.456,415 -0.301,416 -1.357,417 1.174,418 -0.601,419 -1.546,420 -2.026,422 -3.788,423 -1.464,424 -0.474,425 -1.359,426 1,427 -0.718,428 -1.618,429 -2.036,430 -0.17,431 -4.372,432 -1.532,433 -0.5,434 -1.645,435 0.454,436 -1,437 -1.969,438 -2.405,439 -0.647,440 -5.883,441 -1.812,442 -0.898,443 -2,444 0.387,445 -1.05,446 -2,447 -3,448 -0.969,449 -6.559,450 -2,451 6.7,452 0.479,453 0.315,454 0.023,455 17,456 1.214,457 8,458 0.571,459 9,460 0.643,461 9.517,462 0.68,463 15.5,464 0.534,465 9.224,466 0.659,467 3.491,468 0.249,469 3.28,470 0.234,471 0.149,473 0.299,479 1.118,480 1.433,481 0.945,482 1.14,483 1.102,484 1.043,485 0.794,486 0.939,487 0.877,488 0.937,489 0.822,490 0.919,491 1.292,492 1.256,493 1.136,494 1.146,495 1.209,496 1.128,497 1.49,498 1.02,499 1.21,500 1.018,501 1.24,502 1.073,503 0.658,504 1.26,505 0.891,506 1.16,507 0.705,508 1.068,509 1.784,510 0.607,511 1.142,512 0.65,513 1.67,514 0.799,515 0.527,516 1.269,517 1.411,518 1.632,519 0.925,520 1.62,521 0.06,522 0.264,523 0.273,524 0.339,525 0.173,526 0.331,527 2.5,529 1.556,530 0.91,531 0.728,532 0.18,533 0.18,534 0.015,537 1284,538 2694,539 2.034,540 51.7,541 6,542 7,545 2,550 1.51,551 1.909,552 2.586,553 0.477,557 1,559 39.469,560 1.361,561 3.178,562 3.814,563 3.909,564 3.909,565 3.909,566 1.877,567 2.896,568 3.785,569 2.649,570 241.053,571 6.313,572 1900.16,574 1,577 140.881,578 1.379,579 3.74,580 0.167,582 0.078,583 0.054,584 0.052,585 0.014,586 0.018,587 0.007,590 0.389,591 1,592 1,593 0.673,594 52.432,595 -0.06,596 -0.165,597 0.041,598 -0.032,599 -0.129,600 0.008,601 0.342,602 0.192,603 0.115,604 0.079,605 0.21,606 0.073,607 -0.166,608 -0.183,609 -0.154,610 -0.165,611 -0.162,612 -0.16,613 -0.293,614 0.016,615 -0.223,616 -0.076,617 -0.245,618 -0.132,619 0.118,620 -0.343,621 0.054,622 -0.173,623 0.205,624 -0.084,625 -0.404,626 0.351,627 -0.135,628 0.207,629 -0.364,630 0.088,631 -0.101,632 -0.402,633 -0.524,634 -0.602,635 -0.266,636 -0.608,637 0.378,638 0.221,639 0.641,640 0.511,641 0.502,642 0.589,643 0.776,644 1.308,645 0.786,646 6.429,647 0.986,648 1.137,649 2.124,650 4.51,651 0.641,652 2.773,653 3.045,654 3.258,655 3.434,656 3.434,657 3.332,658 3.219,659 3.135,660 2.833,661 2.565,662 3.714,663 0.594,664 189.29,665 2.773,666 4.263,667 5.081,668 5.927,669 6.763,670 7.612,671 8.453,672 9.304,673 10.147,674 10.997,675 10.3,677 1,680 1,684 1,688 3,693 3,695 6,707 1,714 29,716 7,717 1,718 15,720 30,721 11,722 6,723 3,724 3,730 2,731 2,734 1,736 2,745 7,746 4,750 1,758 1,759 1,761 1,764 15,765 3,766 2,767 3,773 3,777 1,792 1,793 1,814 1,819 2,823 2,827 14,833 2,834 2,854 7.333,855 5.7,856 3.139,857 1.726,858 1.478,859 1.268,860 0.975,861 2.616,862 6.992,863 2.996,864 3.541,865 4.003,866 4.447,867 4.797,868 4.758,869 4.732,870 4.904,871 4.961,872 4.808,873 0.75,874 17,875 5.152,876 0.002,877 2.061,878 7.476,879 10.109,880 0.001,881 7.962,882 -0.001,883 1.976,884 27.667,885 0.01,888 153.024,889 61.318,890 52.807,895 61.318,896 153.024,897 52.807,898 17.65,899 4.211,900 46.439,901 18.011,902 25.913,903 1.899,904 153.024,906 153.024,907 114.125,911 153.024,915 56.658,916 39.456,917 18.011,919 153.024,920 52.807,921 61.318,924 153.024,925 15.238,926 46.079,927 36.022,928 16.786,929 153.024,930 52.807,931 61.318,933 0.573,934 0.333,935 0.174,936 0.078,937 10,938 4,939 0.067,940 2,942 1,943 2.654,944 85.734,946 11,947 43.303,951 9.376,952 3.906,953 2.025,955 52.807,956 6.273,961 3.67,963 36.022,964 267.149,965 19,973 4.308,974 0.891,975 28.607,976 32.986,977 0.28,978 0.654,979 0.785,980 0.805,981 0.805,982 0.805,983 4.197,984 -0.347,985 5.043,986 0.855,987 3.714,988 4.22,989 1.416,990 5.796,991 3.635,992 5.381,993 -0.695,994 6.569,995 -0.757,996 3.219,997 3.98,998 0.623,999 6.605,1000 3.126,1001 6.674,1002 -1.246,1003 8.201,1004 -1.841,1005 5.242,1006 6.341,1007 1.529,1008 9.685,1009 5.092,1010 8.006,1011 -1.532,1012 9.894,1013 -3.049,1014 5.602,1015 6.924,1016 1.178,1017 11.353,1018 5.436,1019 9.369,1020 -1.546,1021 11.629,1022 -3.731,1023 7.064,1024 8.756,1025 1.785,1026 13.93,1027 6.859,1028 10.753,1029 -1.618,1030 13.393,1031 -3.788,1032 7.816,1033 9.722,1034 1.663,1035 15.944,1036 7.598,1037 12.153,1038 -1.969,1039 15.176,1040 -4.372,1041 9.054,1042 11.332,1043 2.114,1044 18.342,1045 8.809,1046 2.991,1047 -2,1048 16.976,1049 -5.883,1050 9.986,1051 12.492,1052 2.128,1053 20.504,1054 9.729,1055 2.463,1056 9.752,1057 18.786,1058 -6.559,1059 11.133,1060 13.996,1061 2.491,1062 22.831,1063 10.856,1064 1.879,1065 6.885,1066 20.606,1067 3.997,1068 12.148,1069 15.257,1070 2.589,1071 25.058,1072 11.858,1073 1.492,1074 5.104,1075 22.434,1076 3.081,1077 13.26,1078 16.707,1079 2.899,1080 27.356,1081 12.952,1082 1.151,1083 3.494,1084 24.267,1085 2.481,1086 14.314,1087 18.024,1088 3.051,1089 29.611,1090 13.992,1091 0.618,1092 2.517,1093 26.105,1094 2.048,1095 15.412,1096 19.444,1097 3.329,1098 31.897,1099 15.073,1100 0.359,1101 1.372,1102 27.946,1103 1.232,1104 16.486,1105 20.792,1106 3.513,1107 34.165,1108 16.13,1109 1326,1110 1983,1111 9.94,1112 18.586,1113 21.942,1114 22.289,1115 22.332,1116 21.841,1117 21.909,1118 27.818,1119 3.573,1120 59.961,1121 21.026,1122 5.244,1123 5.243,1124 6.025,1125 5.019,1126 4.991,1127 6.997,1128 2.232,1129 16.311,1130 4.928,1131 5.593,1132 1.463,1133 1.486,1134 1.489,1135 1.456,1136 1.461,1137 1.855,1138 0.238,1139 3.997,1140 1.402,1141 3.969,1142 4.01,1143 3.909,1144 3.893,1145 4.844,1146 3.891,1147 3.744,1148 3.818,1149 3.652,1150 3.525,1151 4.654,1152 3.547,1153 3.266,1154 3.35,1155 3.067,1156 3.125,1157 3.966,1158 3.101,1159 3.093,1160 3.175,1161 2.938,1162 2.934,1163 3.883,1164 2.922,1165 2.932,1166 3.05,1167 2.686,1168 2.671,1169 3.626,1170 2.666,1171 2.551,1172 2.698,1173 2.301,1174 2.229,1175 3.488,1176 2.199,1177 2.429,1178 2.537,1179 2.199,1180 2.208,1181 3.085,1182 2.191,1183 2.408,1184 2.504,1185 2.136,1186 2.186,1187 3.046,1188 2.184,1189 0.29,1190 0.216,1191 0.427,1192 0.265,1193 0.199,1194 4.347,1195 0.266,1196 3.243,1197 0.084,1198 6.412,1199 0.65,1200 3.969,1201 0.195,1202 2.991,1203 3.997,1204 1.263,1205 9.752,1206 2.928,1207 1.938,1208 1.91,1209 2.055,1210 2.03,1211 1.19,1212 2.039,1213 1.445,1214 1.362,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.31,1220 1.228,1221 1.639,1222 1.615,1223 0.719,1224 1.577,1225 1.303,1226 1.226,1227 1.458,1228 1.507,1229 0.493,1230 1.557,1231 1.081,1232 0.993,1233 1.437,1234 1.309,1235 0.443,1236 1.362,1237 0.629,1238 0.52,1239 0.97,1240 0.969,1241 0.077,1242 0.978,1243 0.477,1244 0.374,1245 0.879,1246 0.726,1248 0.784,1249 0.124,1251 0.613,1252 0.451,1254 0.52,1255 3.434,1257 4.71,1258 2.398,1259 6.176,1260 4.443,1261 7.735,1262 6.26,1263 9.342,1265 4.204,1271 1.806,1272 6.515,1280 17.225,1281 39.469,1282 92.152,1283 110.617,1284 113.372,1285 113.372,1286 113.372,1287 12.797,1288 5.513,1289 36.42,1290 36.42,1291 11,1292 11.556,1293 3,1294 2.322,1295 21.26,1296 30,1297 24,1298 0.357,1299 110.173,1300 185.68,1301 260.581,1302 1306,1304 9.966,1305 0.712,1306 0.614,1307 9.966,1308 8.593,1309 6.771,1310 0.451,1311 0.326,1312 4.832,1313 6.574,1314 4.627,1315 3.903,1316 6.771,1317 4.887,1318 5.936,1319 0.297,1320 0.177,1321 5.936,1322 3.549,1323 4.861,1324 0.194,1325 0.096,1326 4.861,1327 2.399,1328 3.846,1329 0.128,1330 0.054,1331 3.846,1332 1.612,1333 2.439,1334 0.081,1335 0.027,1336 2.439,1337 0.799,1338 0.527,1339 41.942,1340 0.317,1341 14.07,1342 1.071,1343 70,1344 166.311,1345 75.662,1346 166.786,1347 235.08,1348 158,1349 80,1350 178.056,1351 85.69,1352 182.934,1353 264.08,1354 172,1355 5.683} {0 CHEMBL186961,1 1.422,2 5.667,3 1.692,4 2.864,5 49.479,6 7.01,7 0.462,8 3.243,9 3.392,10 2.77,11 2.751,12 4.286,13 2.729,14 3.732,15 3.933,16 3.029,17 3.08,18 4.752,19 3.017,20 3.887,21 4.166,22 2.74,23 2.998,24 4.738,25 2.874,26 3.601,27 3.88,28 2.525,29 2.736,30 4.447,31 2.623,32 3.456,33 3.725,34 2.482,35 2.659,36 4.329,37 2.562,38 3.349,39 3.592,40 2.198,41 2.591,42 4.185,43 2.44,44 3.27,45 3.595,46 1.473,47 2.29,48 3.839,49 2.017,50 2.683,51 3.062,52 0.45,53 1.524,54 3.045,55 1.165,56 0.028,57 0.367,58 5.123,59 1.764,60 3.994,61 2.677,62 0.135,63 0.551,64 8.957,65 3.002,66 11.355,67 4.491,68 0.125,69 0.542,70 11.266,71 3.1,72 13.934,73 5.11,74 0.085,75 0.406,76 8.396,77 2.389,78 10.329,79 3.907,80 0.072,81 0.359,82 7.162,83 2.131,84 8.966,85 3.419,86 0.05,87 0.32,88 6.212,89 2.175,90 7.294,91 3.303,92 0.048,93 0.234,94 6.129,95 2.237,96 6.527,97 3.399,98 0.026,99 0.103,100 3.494,101 1.244,102 3.622,103 1.932,105 16,106 0.296,107 0.641,108 0.739,109 0.808,110 0.832,111 0.832,112 2.596,113 0.936,114 -2.76,115 -2.77,116 -2.69,119 39.1,125 2,140 5,142 1,157 1,169 4,174 2,175 1,176 2,178 4,186 2,189 2,193 2,197 3,203 2,208 2,215 1,220 1,259 106,260 8.414,261 8.414,262 8.414,263 8.414,264 8.414,265 7.378,266 10.943,267 5.37,268 8.612,269 6.466,270 6.466,271 6.466,272 6.466,273 6.466,274 5,275 15.822,276 2.609,277 6.798,278 3.102,279 1.444,280 0.972,281 0.642,282 0.522,283 0.522,284 3.238,288 1,289 1,290 145,291 1.414,294 30.462,295 36.262,302 0.889,303 5.164,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 25.5,315 68,316 4.015,317 3.116,318 5.584,319 3.621,320 2.685,321 3.496,322 1.263,323 7.705,324 2.525,325 3.699,326 2.494,327 5.057,328 3.24,329 2.29,330 3.028,331 0.277,332 6.159,333 2.16,334 2.887,335 1.586,336 3.634,337 2.462,338 1.483,339 2.042,340 0.247,341 3.126,342 1.45,343 2.5,344 1.318,345 3.342,346 2.07,347 1.115,348 1.5,350 2.449,351 1.062,352 2.227,353 1.084,354 3.247,355 2,356 1,357 1.196,359 2.136,360 1,361 1.766,362 1,363 3,364 1.518,365 0.618,366 0.665,368 1.372,369 0.556,370 1.123,371 0.125,372 2.574,373 0.805,374 -0.14,375 -0.167,377 -0.354,378 -0.132,379 0.5,380 -0.769,381 1.555,382 0.039,383 -0.93,384 -1.141,386 -2.118,387 -0.898,388 0.428,389 -1,390 1.497,392 -1,393 -1.5,395 -2.347,396 -1,397 -0.3,398 -1.054,399 1,400 -0.596,401 -1.543,402 -1.692,404 -3.456,405 -1.456,406 -0.457,407 -1.358,408 0.927,409 -0.718,410 -1.618,411 -2.024,412 -0.17,413 -4.372,414 -1.463,415 -0.5,416 -1.642,417 0.385,418 -1,419 -1.96,420 -2.404,421 -0.647,422 -4.789,423 -1.804,424 -0.889,425 -2,426 0.198,427 -1.041,428 -2,429 -3,430 -0.969,431 -5.512,432 -2,451 5.7,452 0.475,453 0.137,454 0.011,455 16,456 1.333,457 8,458 0.667,459 8,460 0.667,461 5.883,462 0.49,463 12.9,464 0.561,465 8.038,466 0.67,467 3.379,468 0.282,469 2.571,470 0.214,473 0.175,479 1.133,480 1.414,481 0.866,482 1.064,483 0.988,484 0.952,485 0.861,486 1.065,487 1.028,488 1.114,489 0.947,490 1.096,491 1.395,492 1.018,493 1.125,494 0.959,495 1.322,496 1,497 1.229,498 1.018,499 0.989,500 0.91,501 0.916,502 0.917,503 1.165,504 0.916,505 0.901,506 0.805,507 1.03,508 0.817,509 1.017,510 1.124,511 1.278,512 1.296,513 1.244,514 1.317,515 0.502,516 0.794,517 1.014,518 1.094,519 0.825,520 1.115,521 0.132,522 0.644,523 0.693,524 0.887,525 0.399,526 0.866,527 1.5,529 0.444,530 0.41,531 0.186,532 0.056,533 0.069,534 0.015,537 946,538 2184,539 2.14,540 47.8,542 9,545 2,550 1.45,551 2.118,552 2.621,553 0.59,559 32.704,560 1.422,561 3.079,562 3.551,563 3.882,564 4.002,565 4.002,566 1.959,567 2.752,568 3.564,569 2.639,570 174.202,571 5.826,572 1217.69,574 1,577 104.042,578 0.65,579 3.565,580 0.115,582 0.028,583 0.037,584 0.021,585 0.006,586 0.011,587 0.007,590 0.226,591 1,592 1,594 42.425,595 -0.11,596 -0.195,597 0.039,598 -0.032,599 -0.085,600 0.014,601 0.272,602 0.069,603 -0.093,604 -0.147,605 0.089,606 -0.164,607 -0.247,608 -0.063,609 -0.147,610 -0.061,611 -0.261,612 -0.086,613 -0.147,614 -0.079,615 -0.011,616 0.005,617 0.044,618 0.013,619 -0.132,620 0.042,621 0.071,622 0.135,623 0.023,624 0.13,625 -0.212,626 -0.149,627 -0.364,628 -0.305,629 -0.314,630 -0.346,631 0.035,632 -0.048,633 -0.071,634 -0.1,635 -0.064,636 -0.099,637 0.292,638 -0.069,639 0.287,640 0.088,641 0.302,642 0.171,643 0.791,644 1.225,645 0.917,646 5.028,647 0.993,648 1.137,649 1.529,650 2.338,651 0.655,652 2.639,653 2.833,654 2.996,655 3.178,656 3.135,657 2.944,658 2.944,659 2.833,660 2.565,661 2.197,662 3.608,663 0.616,664 161.23,665 2.639,666 4.078,667 4.86,668 5.666,669 6.463,670 7.276,671 8.077,672 8.891,673 9.694,674 10.508,675 13,677 1,680 1,684 1,688 5,693 1,695 6,707 1,714 23,716 7,717 1,718 13,720 24,721 9,722 6,723 1,724 5,730 2,731 2,734 1,745 7,746 2,750 1,758 1,759 1,764 11,765 3,766 2,767 3,773 3,777 1,792 1,793 1,814 1,819 2,827 12,833 2,834 2,854 5.667,855 3.867,856 2.75,857 1.324,858 1.406,859 1.27,860 0.994,861 2.163,862 6.61,863 2.89,864 3.35,865 3.755,866 4.199,867 4.521,868 4.278,869 4.492,870 4.707,871 4.577,872 4.343,873 0.75,874 11,875 4.402,876 0.006,877 1.763,878 7.528,879 8.56,880 0.002,881 6.667,882 -0.002,883 2.028,884 24.333,885 0.016,888 105.94,889 56.248,890 52.807,895 56.248,896 105.94,897 52.807,899 4.211,900 65.392,901 18.011,902 19.542,903 1.899,904 105.94,906 105.94,907 109.056,911 105.94,915 39.008,916 52.037,917 18.011,919 105.94,920 52.807,921 56.248,924 105.94,925 8.867,926 47.381,927 36.022,928 16.786,929 105.94,930 52.807,931 56.248,933 0.547,934 0.301,935 0.166,936 0.074,937 8,938 2,939 0.083,940 2,942 1,943 2.589,944 65.827,946 11,947 39.02,951 7.466,952 3.477,953 1.915,955 52.807,956 10.024,961 1.075,963 36.022,964 214.995,965 17,973 4.225,974 0.876,975 22.84,976 26.156,977 0.314,978 0.681,979 0.785,980 0.858,981 0.885,982 0.885,983 4.034,984 -0.93,985 4.745,986 -0.354,987 3.497,988 4.025,989 1.416,990 5.371,991 3.399,992 5.155,993 -1,994 6.168,995 -2.118,996 2.565,997 3.277,998 0.623,999 5.784,1000 2.377,1001 6.386,1002 -1.543,1003 7.685,1004 -2.347,1005 4.89,1006 6.005,1007 1.529,1008 8.872,1009 4.678,1010 7.654,1011 -1.618,1012 9.261,1013 -3.456,1014 4.875,1015 6.093,1016 1.178,1017 10.19,1018 4.538,1019 8.953,1020 -1.96,1021 10.877,1022 -4.372,1023 6.532,1024 8.219,1025 1.785,1026 12.657,1027 6.2,1028 10.272,1029 -2,1030 12.52,1031 -4.789,1032 6.971,1033 8.706,1034 1.663,1035 14.347,1036 6.508,1037 11.605,1039 14.18,1040 -5.512,1041 8.303,1042 10.539,1043 2.114,1044 16.574,1045 7.847,1046 2.685,1048 15.853,1050 8.981,1051 11.251,1052 2.128,1053 18.438,1054 8.4,1055 2.29,1056 7.705,1057 17.534,1059 10.148,1060 12.913,1061 2.491,1062 20.562,1063 9.565,1064 1.483,1065 6.159,1066 19.221,1067 3.496,1068 10.957,1069 13.771,1070 2.589,1071 22.511,1072 10.26,1073 1.115,1074 3.126,1075 20.912,1076 3.028,1077 12.037,1078 15.321,1079 2.899,1080 24.589,1081 11.326,1082 1,1083 2.449,1084 22.607,1085 2.042,1086 12.921,1087 16.281,1088 3.051,1089 26.582,1090 12.107,1091 0.618,1092 2.136,1093 24.305,1094 1.5,1095 13.955,1096 17.752,1097 3.329,1098 28.638,1099 13.115,1100 -0.14,1101 1.372,1102 26.005,1103 1.196,1104 14.881,1105 18.785,1106 3.513,1107 30.654,1108 13.949,1109 954,1110 1505,1111 9.129,1112 15.063,1113 18.496,1114 18.518,1115 18.413,1116 18.375,1117 18.381,1118 23.855,1119 3.573,1120 45.894,1121 17.506,1122 4.904,1123 5.116,1124 5.386,1125 4.661,1126 4.685,1127 6.496,1128 2.232,1129 13.216,1130 4.525,1132 1.423,1133 1.424,1134 1.416,1135 1.413,1136 1.414,1137 1.835,1138 0.275,1139 3.53,1140 1.347,1141 3.924,1142 3.972,1143 3.855,1144 3.831,1145 4.857,1146 3.829,1147 3.733,1148 3.802,1149 3.639,1150 3.522,1151 4.663,1152 3.543,1153 3.049,1154 3.137,1155 2.912,1156 2.855,1157 3.854,1158 2.859,1159 2.854,1160 2.925,1161 2.687,1162 2.735,1163 3.674,1164 2.715,1165 2.606,1166 2.703,1167 2.444,1168 2.428,1169 3.514,1170 2.425,1171 2.551,1172 2.685,1173 2.296,1174 2.186,1175 3.242,1176 2.188,1177 2.016,1178 2.196,1179 1.679,1180 1.557,1181 2.797,1182 1.561,1183 1.602,1184 1.802,1185 1.101,1186 1.217,1187 2.053,1188 1.144,1189 0.309,1190 0.24,1191 0.43,1192 0.279,1193 0.207,1194 4.015,1195 0.269,1196 3.116,1197 0.097,1198 5.584,1199 0.593,1200 3.621,1201 0.194,1202 2.685,1203 3.496,1204 1.263,1205 7.705,1206 2.525,1207 1.886,1208 1.854,1209 2.01,1210 1.99,1211 1.063,1212 1.998,1213 1.445,1214 1.362,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.31,1220 1.228,1221 1.45,1222 1.609,1223 0.451,1224 1.573,1225 0.886,1226 0.821,1227 1.181,1228 1.069,1229 0.218,1230 1.107,1231 0.834,1232 0.764,1233 1.097,1234 1.062,1235 0.179,1236 1.083,1237 0.25,1238 0.096,1239 0.755,1240 0.637,1242 0.687,1245 0.535,1246 0.394,1248 0.462,1251 0.381,1252 0.133,1254 0.23,1255 3.296,1257 4.511,1258 2.398,1259 5.911,1260 4.443,1261 7.39,1262 6.26,1263 8.907,1271 1.81,1272 6.324,1280 14.171,1281 32.704,1282 70.823,1283 81.677,1284 89.287,1285 92.042,1286 92.042,1287 8.639,1288 5.204,1289 36.42,1290 36.42,1291 11,1292 11.096,1293 3,1294 2.322,1295 17.232,1296 26,1297 18,1298 0.344,1299 90.988,1300 151.08,1301 213.771,1302 898,1304 8.226,1305 0.685,1306 0.562,1307 8.226,1308 6.748,1309 5.949,1310 0.458,1311 0.312,1312 3.999,1313 5.748,1314 3.934,1315 3.281,1316 5.949,1317 4.054,1318 4.89,1319 0.306,1320 0.166,1321 4.89,1322 2.648,1323 3.866,1324 0.203,1325 0.09,1326 3.866,1327 1.711,1328 3.14,1329 0.137,1330 0.05,1331 3.14,1332 1.14,1333 2.021,1334 0.092,1335 0.027,1336 2.021,1337 0.587,1338 0.518,1339 37.013,1340 0.331,1341 12.347,1342 0.986,1343 58,1344 150.311,1345 63.662,1346 149.544,1347 208.96,1348 142,1349 64,1350 156.056,1351 69.357,1352 158.22,1353 227.16,1354 150,1355 4.523} {0 CHEMBL18785,1 1.429,2 6.941,3 2.148,4 4.612,5 69.724,6 6.919,7 0.526,8 3.602,9 3.728,10 3.123,11 3.145,12 4.611,13 3.116,14 4.139,15 4.32,16 3.438,17 3.544,18 5.075,19 3.488,20 4.317,21 4.531,22 3.425,23 3.654,24 5.176,25 3.552,26 4.306,27 4.527,28 3.299,29 3.608,30 5.137,31 3.477,32 4.302,33 4.565,34 3.186,35 3.473,36 5.085,37 3.33,38 4.162,39 4.42,40 2.985,41 3.288,42 4.963,43 3.147,44 3.998,45 4.269,46 2.573,47 3.014,48 4.762,49 2.841,50 3.716,51 4.019,52 2.054,53 2.602,54 4.424,55 2.377,56 0.035,57 0.478,58 7.479,59 3.036,60 5.924,61 4.16,62 0.13,63 0.768,64 13.707,65 5.077,66 13.574,67 7.041,68 0.123,69 0.882,70 16.541,71 6.512,72 14.82,73 9.156,74 0.09,75 0.861,76 16.296,77 6.655,78 14.002,79 9.402,80 0.158,81 0.819,82 16.869,83 6.288,84 16.101,85 9.18,86 0.161,87 0.714,88 14.811,89 5.115,90 15.266,91 7.427,92 0.149,93 0.57,94 12.838,95 4.172,96 14.052,97 6.064,98 0.177,99 0.387,100 10.011,101 3.279,102 13.517,103 4.746,104 3,105 26,106 0.267,107 0.676,108 0.854,109 0.881,110 0.881,111 0.881,112 2.91,113 0.937,114 -2.87,115 -2.87,116 -2.78,119 42.4,121 1,124 1,125 2,134 1,135 1,140 3,141 2,142 1,149 1,150 1,169 6,172 2,176 5,178 7,182 2,186 4,189 6,193 1,197 3,199 4,203 1,206 1,208 1,211 3,215 2,219 1,220 1,222 2,231 1,240 1,242 1,259 288,260 11.939,261 11.939,262 11.939,263 11.939,264 11.939,265 10.588,266 11.47,267 7.126,268 12.245,269 9.336,270 9.336,271 9.336,272 9.336,273 9.336,274 7.197,275 11.611,276 3.314,277 9.713,278 3.615,279 1.421,280 0.47,281 0.326,282 0.326,283 0.326,284 3.591,288 1,289 1,290 256,291 1.871,294 30.898,295 82.885,298 57.603,302 1.01,303 7.964,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 36,315 118,316 4.608,317 3.234,318 6.718,319 4.157,320 3.169,321 4.545,322 0.86,323 10.942,324 3.131,325 3.93,326 2.827,327 5.766,328 3.531,329 2.553,330 3.348,331 0.657,332 7.846,333 2.497,334 3.6,335 2.533,336 5.224,337 3.171,338 2.231,339 2.975,341 6.5,342 2.086,343 3.102,344 1.967,345 4.634,346 2.706,347 1.742,348 2.319,350 4.649,351 1.678,352 2.694,353 1.512,354 4.04,355 2.305,356 1.34,357 1.767,359 3.353,360 1.289,361 2.424,362 1.344,363 3.502,364 2.037,365 1.094,366 1.386,368 2.603,369 1.028,370 2.136,371 1.262,372 3.247,373 1.984,374 1,375 1.049,377 2.136,378 0.983,379 1.999,380 1.009,381 3.223,382 1.613,383 0.676,384 0.885,386 1.518,387 0.628,388 1.561,389 0.57,390 2.785,391 1.236,392 0.346,393 0.414,395 0.565,396 0.306,397 0.77,398 -0.264,399 2.366,400 0.425,401 -0.527,402 -0.608,404 -1.143,405 -0.497,406 0.636,407 -0.506,408 2.15,409 0.195,410 -0.784,411 -0.966,413 -1.871,414 -0.761,415 0.311,416 -0.648,417 2,418 0.036,419 -0.941,420 -1.132,422 -2.347,423 -0.919,424 0.25,425 -0.885,426 1.558,427 -0.049,428 -1,429 -1.331,431 -2.705,432 -0.946,433 -0.075,434 -1.151,435 1.555,436 -0.486,437 -1.438,438 -1.72,440 -3.847,441 -1.311,442 -0.3,443 -1.471,444 1.037,445 -0.697,446 -1.604,447 -2.062,449 -4.652,450 -1.502,451 8.133,452 0.478,453 0.291,454 0.017,455 21,456 1.235,457 10,458 0.588,459 11,460 0.647,461 11.667,462 0.686,463 18.267,464 0.554,465 12.498,466 0.735,467 4.302,468 0.253,469 4.08,470 0.24,471 0.061,473 0.307,479 0.999,480 1.223,481 0.861,482 1.044,483 0.923,484 0.945,485 1.37,486 0.975,487 0.976,488 0.871,489 1.117,490 0.875,491 0.927,492 1.003,493 0.974,494 1.002,495 0.851,496 0.995,497 0.707,498 1.184,499 1.053,500 1.218,501 0.923,502 1.185,503 0.612,504 1.05,505 0.903,506 1.056,507 0.738,508 1.018,509 1.1,510 1.042,511 1.097,512 1.069,513 1.053,514 1.079,515 1.526,516 1.045,517 1.275,518 1.103,519 1.534,520 1.15,521 1.399,522 0.831,523 1.107,524 0.908,525 1.398,526 0.984,527 2.5,529 1.778,530 0.944,531 0.729,532 0.407,533 0.216,534 0.071,535 0.033,536 0.016,537 2310,538 5151,539 2.163,540 48.5,542 11,543 1,545 2,547 2,550 1.573,551 2.082,552 2.844,553 0.353,555 1,556 1,557 1,559 47.162,560 1.429,561 3.623,562 4.574,563 4.718,564 4.718,565 4.718,566 2.228,567 3.455,568 4.059,569 2.884,570 392.276,571 6.879,572 3446.58,573 1,574 1,576 1,577 166.465,578 1.166,579 4.043,580 0.132,582 0.068,583 0.038,584 0.035,585 0.023,586 0.015,587 0.009,588 0.008,589 0.016,590 0.343,591 1,592 1,593 0.721,594 68.969,595 -0.046,596 -0.047,597 0.059,599 -0.008,600 0.039,601 -0.184,602 0.117,603 -0.013,604 0.128,605 -0.066,606 0.086,607 -0.079,608 0.014,609 -0.036,610 0.009,611 0.017,612 -0.005,613 -0.022,614 -0.197,615 -0.132,616 -0.2,617 -0.115,618 -0.183,619 0.165,620 -0.103,621 0.054,622 -0.083,623 0.115,624 -0.035,625 -0.034,626 -0.069,627 -0.113,628 -0.132,629 -0.033,630 -0.133,631 -0.21,632 -0.114,633 -0.264,634 -0.19,635 -0.328,636 -0.224,637 0.049,638 -0.013,639 -0.067,640 0.007,641 -0.077,642 -0.045,643 0.757,644 1.788,645 0.882,646 9.571,647 0.991,648 1.125,649 1.636,650 2.678,651 0.66,652 2.996,653 3.296,654 3.611,655 3.892,656 4.111,657 4.159,658 4.234,659 4.263,660 4.143,661 4.043,662 4.172,663 0.62,664 228.32,665 2.996,666 4.511,667 5.371,668 6.248,669 7.13,670 8.019,671 8.909,672 9.802,673 10.695,674 11.591,675 6.1,677 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 33,716 11,717 1,718 19,720 35,721 14,722 8,723 3,724 3,725 2,730 3,731 4,740 1,743 1,745 10,746 4,750 1,757 1,759 1,761 1,764 16,765 2,766 2,767 3,773 2,777 0.667,778 1,788 1,792 1,793 2,796 1,810 1,811 1,814 1,819 2,823 1,827 17,833 3,834 1,835 1,847 3,852 1,854 8.167,855 6.083,856 3.833,857 1.944,858 2.363,859 1.366,860 1.025,861 2.808,862 8.812,863 3.258,864 3.876,865 4.539,866 5.18,867 5.706,868 6.076,869 6.437,870 6.767,871 6.728,872 6.849,873 0.8,874 25,875 6.267,877 2.61,878 7.461,879 12.365,881 10.225,883 1.961,884 33.333,885 0.004,888 164.795,889 80.913,890 34.796,892 11,895 80.913,896 175.795,897 34.796,898 10.883,899 6.746,900 64.963,902 41.973,903 13.915,904 153.024,906 164.795,907 115.709,908 11,911 141.253,912 34.542,915 41.542,916 64.691,917 9.476,919 164.795,920 45.796,921 80.913,924 164.795,925 23.078,926 57.835,927 34.796,928 11,929 164.795,930 45.796,931 80.913,933 0.568,934 0.345,935 0.194,936 0.109,937 14,938 5,939 0.057,940 2,941 1,942 1.133,943 2.991,944 122.631,945 0.133,946 15,947 69.487,951 10.72,952 4.453,953 1.931,954 2.415,955 29.011,956 8.254,958 3.32,961 2.216,963 34.796,964 291.505,965 25,972 2.269,974 1.42,975 32.716,976 37.112,977 0.283,978 0.718,979 0.907,980 0.935,981 0.935,982 0.935,983 4.472,984 0.676,985 5.333,986 2.136,987 3.97,988 4.559,989 1.207,990 6.146,991 3.906,992 5.672,993 0.346,994 6.884,995 1.518,996 3.434,997 4.388,999 7.066,1000 3.374,1001 6.987,1002 -0.527,1003 8.542,1004 0.565,1005 5.549,1006 6.841,1007 0.903,1008 10.196,1009 5.45,1010 8.347,1011 -0.784,1012 10.266,1013 -1.143,1014 5.916,1015 7.596,1017 12.002,1018 5.825,1019 9.746,1020 -0.941,1021 12.033,1022 -1.871,1023 7.444,1024 9.473,1025 0.678,1026 14.637,1027 7.327,1028 11.172,1029 -1,1030 13.83,1031 -2.347,1032 8.23,1033 10.645,1035 16.792,1036 8.118,1037 12.617,1038 -1.438,1039 15.65,1040 -2.705,1041 9.521,1042 12.299,1043 0.512,1044 19.268,1045 9.392,1046 3.169,1047 -1.604,1048 17.485,1049 -3.847,1050 10.505,1051 13.663,1053 21.563,1054 10.375,1055 2.553,1056 10.942,1057 19.334,1058 -4.652,1059 11.702,1060 15.229,1061 0.387,1062 23.984,1063 11.56,1064 2.231,1065 7.846,1066 21.192,1067 4.545,1068 12.776,1069 16.678,1071 26.336,1072 12.629,1073 1.742,1074 6.5,1075 23.059,1076 3.348,1077 13.939,1078 18.211,1079 0.293,1080 28.739,1081 13.781,1082 1.34,1083 4.649,1084 24.932,1085 2.975,1086 15.054,1087 19.696,1089 31.114,1090 14.889,1091 1.094,1092 3.353,1093 26.81,1094 2.319,1095 16.206,1096 21.217,1097 0.221,1098 33.51,1099 16.03,1100 1,1101 2.603,1102 28.692,1103 1.767,1104 17.34,1105 22.718,1107 35.895,1108 17.155,1109 2264,1110 3443,1111 13.118,1112 21.796,1113 28.424,1114 28.839,1115 29.014,1116 28.234,1117 28.303,1118 37.373,1119 3.035,1120 80.225,1121 27.252,1122 5.53,1123 5.234,1124 6.52,1125 5.192,1126 5.169,1127 7.545,1128 1.72,1129 18.069,1130 5.131,1131 4.95,1132 1.496,1133 1.518,1134 1.527,1135 1.486,1136 1.49,1137 1.967,1138 0.16,1139 4.222,1140 1.434,1141 4.14,1142 4.17,1143 4.101,1144 4.059,1145 5.007,1146 4.066,1147 3.779,1148 3.838,1149 3.674,1150 3.655,1151 4.64,1152 3.652,1153 3.459,1154 3.505,1155 3.365,1156 3.261,1157 4.447,1158 3.277,1159 3.142,1160 3.221,1161 2.962,1162 2.925,1163 4.035,1164 2.922,1165 3.037,1166 3.13,1167 2.818,1168 2.868,1169 3.788,1170 2.841,1171 2.969,1172 3.058,1173 2.781,1174 2.761,1175 3.581,1176 2.753,1177 2.792,1178 2.872,1179 2.627,1180 2.602,1181 3.439,1182 2.599,1183 2.37,1184 2.436,1185 2.213,1186 2.234,1187 3.115,1188 2.221,1189 0.243,1190 0.17,1191 0.354,1192 0.219,1193 0.167,1194 4.608,1195 0.239,1196 3.234,1197 0.045,1198 6.718,1199 0.576,1200 4.157,1201 0.165,1202 3.169,1203 4.545,1204 0.86,1205 10.942,1206 3.131,1207 1.952,1208 1.933,1209 2.048,1210 2.038,1211 1.291,1212 2.042,1213 1.801,1214 1.755,1215 1.955,1216 1.963,1217 1.11,1218 1.965,1219 1.419,1220 1.352,1221 1.602,1222 1.659,1223 0.705,1224 1.646,1225 1.216,1226 1.154,1227 1.563,1228 1.51,1229 0.664,1230 1.528,1231 1.076,1232 0.989,1233 1.432,1234 1.298,1235 0.579,1236 1.35,1237 0.951,1238 0.869,1239 1.203,1240 1.188,1241 0.312,1242 1.203,1243 0.788,1244 0.712,1245 1.087,1246 0.995,1247 0.186,1248 1.031,1249 0.652,1250 0.577,1251 0.937,1252 0.854,1253 0.062,1254 0.887,1255 3.664,1257 4.963,1258 2.398,1259 6.479,1260 4.727,1261 8.088,1262 6.843,1263 9.747,1265 1.706,1271 3.11,1272 3.336,1273 5.288,1280 20.445,1281 47.162,1282 119.571,1283 150.955,1284 155.71,1285 155.71,1286 155.71,1287 15.958,1288 6.449,1289 37.05,1290 37.05,1291 17,1292 12.117,1293 3.585,1294 2.807,1295 23.62,1296 42,1297 42,1298 0.29,1299 125.831,1300 209.47,1301 298.787,1302 4475,1304 11.665,1305 0.686,1306 0.583,1307 11.665,1308 9.916,1309 8.381,1310 0.441,1311 0.312,1312 5.852,1313 8.08,1314 5.698,1315 4.732,1316 8.381,1317 5.935,1318 7.151,1319 0.275,1320 0.165,1321 7.151,1322 4.297,1323 6.41,1324 0.178,1325 0.092,1326 6.41,1327 3.299,1328 5.381,1329 0.112,1330 0.049,1331 5.381,1332 2.36,1333 4.371,1334 0.073,1335 0.027,1336 4.371,1337 1.62,1338 0.43,1339 52.358,1340 0.276,1341 16.809,1342 0.867,1343 90,1344 222.401,1345 95.987,1346 216.198,1347 305.37,1348 206,1349 107,1350 228.644,1351 112.988,1352 234.903,1353 343.54,1354 221,1355 7.409} {0 CHEMBL187928,1 1.287,2 18.585,3 6.689,4 44.743,5 169.57,6 7.076,7 0.667,8 4.389,9 4.509,10 3.921,11 4.026,12 5.461,13 3.974,14 4.889,15 5.057,16 4.206,17 4.395,18 5.897,19 4.314,20 5.16,21 5.371,22 4.236,23 4.527,24 6.081,25 4.404,26 5.252,27 5.502,28 4.141,29 4.481,30 6.145,31 4.339,32 5.19,33 5.436,34 4.191,35 4.457,36 6.128,37 4.333,38 5.186,39 5.419,40 4.208,41 4.46,42 6.207,43 4.346,44 5.14,45 5.363,46 4.178,47 4.467,48 6.107,49 4.346,50 5.159,51 5.398,52 4.163,53 4.488,54 6.05,55 4.356,56 0.066,57 0.979,58 15.558,59 6.991,60 12.608,61 9.541,62 0.223,63 1.628,64 27.307,65 11.31,66 25.863,67 15.679,68 0.205,69 2.061,70 37.421,71 15.896,72 36.444,73 22.109,74 0.362,75 2.254,76 43.374,77 17.09,78 56.489,79 23.794,80 0.254,81 2.106,82 40.254,83 16.317,84 49.568,85 22.836,86 0.377,87 2.068,88 40.301,89 15.98,90 70.18,91 21.843,92 0.262,93 1.985,94 37.622,95 15.59,96 52.674,97 21.43,98 0.245,99 2.056,100 38.484,101 15.962,102 43.665,103 22.435,104 2,105 58,106 0.195,107 0.446,108 0.614,109 0.762,110 0.831,111 0.851,112 3.741,113 0.938,114 -6.12,115 -5.97,116 -5.55,119 48.7,121 1,125 4,134 2,140 20,141 7,143 2,156 1,169 30,171 1,172 6,176 2,178 34,182 6,186 3,189 26,192 1,193 7,197 4,199 18,203 8,208 3,211 20,214 1,215 10,220 2,222 23,226 8,231 2,233 26,237 6,242 2,244 30,249 6,254 1,256 33,259 4147,260 28.551,261 28.551,262 28.551,263 28.551,264 28.551,265 24.678,266 22.332,267 17.669,268 28.75,269 22.298,270 22.298,271 22.298,272 22.298,273 22.298,274 16.654,275 28.308,276 8.523,277 22.589,278 4.961,279 3.305,280 2.192,281 1.219,282 0.763,283 0.632,284 4.451,290 1657,291 4.183,295 859.07,302 3.051,303 20.524,306 0.5,307 0.5,308 0.67,309 0.5,310 0.5,311 0.67,312 0.5,313 0.55,314 84.5,315 762,316 4.271,317 3.638,318 6.154,319 3.907,320 2.918,321 3.924,322 1.259,323 9.101,324 2.896,325 4.096,326 2.942,327 6.091,328 3.815,329 2.839,330 3.547,331 0.657,332 8.894,333 2.758,334 3.935,335 2.812,336 5.36,337 3.529,338 2.531,339 3.477,340 0.577,341 7.021,342 2.525,343 3.898,344 2.739,345 5.35,346 3.52,347 2.522,348 3.445,349 0.359,350 6.995,351 2.517,352 3.879,353 2.689,354 5.338,355 3.481,356 2.486,357 3.434,359 6.962,360 2.472,361 3.766,362 2.549,363 5.301,364 3.381,365 2.391,366 3.121,368 6.843,369 2.366,370 3.595,371 2.503,372 5.229,373 3.243,374 2.242,375 2.932,377 6.512,378 2.241,379 3.047,380 1.96,381 4.363,382 2.628,383 1.651,384 2.221,386 4.211,387 1.612,388 2.96,389 1.795,390 4.094,391 2.576,392 1.592,393 2.123,395 3.635,396 1.565,397 2.914,398 1.577,399 3.721,400 2.477,401 1.481,402 2.077,404 3.321,405 1.476,406 2.904,407 1.523,408 3.618,409 2.442,410 1.461,411 2.066,413 3.097,414 1.428,415 2.551,416 1.466,417 3.548,418 2.236,419 1.271,420 1.504,422 2.828,423 1.222,424 2.5,425 1.376,426 3.461,427 2.126,428 1.147,429 1.5,431 2.736,432 1.118,433 2.5,434 1,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.5,443 1,444 3.414,445 2,446 1,447 1.5,449 2.275,450 1,451 20.033,452 0.489,453 0.619,454 0.015,455 57.5,456 1.402,457 33,458 0.805,459 24.5,460 0.598,461 32.132,462 0.784,463 41.167,464 0.542,465 46.786,466 1.141,467 11.875,468 0.29,469 8.35,470 0.204,471 0.017,473 0.22,479 0.745,480 1.111,481 0.841,482 0.967,483 0.616,484 0.917,485 0.991,486 1.046,487 1.052,488 1.008,489 0.71,490 1.021,491 0.918,492 1.188,493 1.069,494 1.155,495 0.89,496 1.128,497 1.388,498 1.001,499 1.07,500 0.993,501 1.432,502 1.008,503 1.061,504 1.016,505 0.908,506 0.976,507 0.974,508 0.937,509 1.626,510 0.945,511 0.996,512 0.931,513 1.856,514 0.928,515 1.32,516 1.038,517 1.033,518 1.019,519 1.486,520 1.014,521 0.908,522 0.945,523 0.969,524 0.941,525 0.806,526 0.954,527 6,528 0.21,529 3.111,530 1.188,531 1.378,532 1.09,533 0.647,534 0.448,535 0.352,536 0.215,537 34911,538 77672,539 2.15,540 46.1,542 30,544 2,545 1,547 2,550 1.802,551 2.103,552 4.111,553 -0.521,559 97.813,560 1.287,561 2.943,562 4.056,563 5.029,564 5.485,565 5.616,566 3.605,567 4.803,568 5.321,569 4.349,570 3565.96,571 9.386,572 69679,577 474.842,578 0.916,579 5.327,580 0.133,581 0.004,582 0.054,583 0.021,584 0.028,585 0.02,586 0.012,587 0.008,588 0.007,589 0.004,590 0.291,591 0.33,592 0.5,593 0.261,594 240.557,595 0.016,596 -0.055,597 0.049,598 0.005,599 -0.013,600 0.024,601 -0.014,602 0.025,603 -0.117,604 -0.052,605 -0.021,606 -0.083,607 -0.015,608 -0.192,609 -0.109,610 -0.171,611 -0.032,612 -0.151,613 -0.068,614 0.001,615 -0.054,616 -0.02,617 -0.114,618 -0.035,619 0.064,620 -0.027,621 0.094,622 0.006,623 0.141,624 0.047,625 -0.001,626 0.043,627 0.025,628 0.046,629 0.032,630 0.039,631 -0.078,632 -0.057,633 -0.043,634 -0.033,635 -0.074,636 -0.037,637 -0.054,638 0.049,639 0.009,640 0.046,641 -0.029,642 0.035,643 1.699,644 6.226,645 0.732,646 69.872,647 0.984,648 1.11,649 4.891,650 23.919,651 0.693,652 3.829,653 4.078,654 4.29,655 4.477,656 4.7,657 4.654,658 4.779,659 4.905,660 5.03,661 5.118,662 10.687,663 0.647,664 537.75,665 3.829,666 5.333,667 6.146,668 6.976,669 7.802,670 8.636,671 9.467,672 10.304,673 11.139,674 11.979,675 3.9,677 1,682 1,685 1,688 22,689 1,693 7,695 30,714 76,716 32,717 4,718 45,720 80,721 37,722 29,723 6,724 18,725 3,730 5,731 5,743 1,745 32,746 5,750 2,755 1,757 2,759 1,764 35,765 4,766 1,767 4,773 3,777 1,778 1,786 1,793 5,806 1,810 2,814 1,819 5,827 41,833 5,834 1,838 1,847 1.3,850 1,854 19.5,855 13.317,856 9.222,857 4.487,858 4.442,859 1.538,860 1.006,861 9.994,862 12.698,863 4.143,864 4.677,865 5.203,866 5.694,867 6.229,868 6.239,869 6.6,870 6.939,871 7.315,872 7.621,873 1,874 57,875 15.143,877 6.251,878 7.533,879 29.545,881 23.905,883 2.033,884 83.333,888 400.217,889 264.533,890 37.921,892 25.145,895 264.533,896 425.362,897 37.921,899 14.082,900 226.488,901 70.177,902 40.394,904 376.675,906 400.217,907 302.454,908 25.145,911 376.675,912 48.687,915 50.187,916 216.529,917 35.738,919 400.217,920 63.066,921 264.533,924 400.217,925 37.961,926 229.697,927 18.011,928 41.93,929 400.217,930 63.066,931 264.533,933 0.561,934 0.317,935 0.166,936 0.092,937 24,938 9,939 0.15,940 12,942 1,943 5.438,944 379.577,946 30,947 201.66,951 27.925,952 14.674,953 8.681,955 63.066,956 45.123,957 4.222,961 8.044,963 18.011,964 727.816,965 62,970 13.226,972 3.516,974 -0.033,975 74.77,976 84.348,977 0.206,978 0.471,979 0.649,980 0.805,981 0.878,982 0.899,983 5.325,984 1.651,985 6.066,986 6.512,987 4.762,988 5.366,989 1.763,990 6.758,991 4.738,992 6.487,993 1.592,994 7.543,995 4.211,996 4.007,997 4.732,998 0.325,999 7.38,1000 3.986,1001 7.74,1002 1.481,1003 9.115,1004 3.635,1005 6.24,1006 7.446,1007 1.775,1008 10.439,1009 6.194,1010 9.025,1011 1.461,1012 10.748,1013 3.321,1014 6.347,1015 7.634,1016 0.82,1017 11.925,1018 6.301,1019 10.341,1020 1.271,1021 12.42,1022 3.097,1023 7.962,1024 9.758,1025 1.987,1026 14.436,1027 7.894,1028 11.677,1029 1.147,1030 14.12,1031 2.828,1032 8.494,1033 10.361,1034 1.329,1035 16.289,1036 8.419,1037 13.029,1038 1,1039 15.839,1040 2.736,1041 9.817,1042 12.184,1043 2.292,1044 18.598,1045 9.724,1046 2.918,1047 1,1048 17.572,1049 2.275,1050 10.578,1051 13.033,1052 1.834,1053 20.626,1054 10.473,1055 2.839,1056 9.101,1057 19.316,1058 2.275,1059 11.754,1060 14.677,1061 2.645,1062 22.858,1063 11.633,1064 2.531,1065 8.894,1066 21.069,1067 3.924,1068 12.641,1069 15.686,1070 2.335,1071 24.97,1072 12.506,1073 2.522,1074 7.021,1075 22.829,1076 3.547,1077 13.745,1078 17.217,1079 3.027,1080 27.175,1081 13.595,1082 2.486,1083 6.995,1084 24.596,1085 3.477,1086 14.703,1087 18.334,1088 2.832,1089 29.33,1090 14.537,1091 2.391,1092 6.962,1093 26.367,1094 3.445,1095 15.773,1096 19.793,1097 3.428,1098 31.527,1099 15.593,1100 2.242,1101 6.843,1102 28.144,1103 3.434,1104 16.771,1105 20.986,1106 3.324,1107 33.702,1108 16.576,1109 32438,1110 48567,1111 31.375,1112 52.654,1113 66.009,1114 66.172,1115 65.582,1116 65.047,1117 65.054,1118 88.285,1119 5.705,1120 170.794,1121 64.273,1122 5.164,1123 5.638,1124 5.956,1125 4.943,1126 4.918,1127 6.924,1128 2.373,1129 15.302,1130 4.896,1131 8.725,1132 1.467,1133 1.47,1134 1.457,1135 1.445,1136 1.446,1137 1.962,1138 0.127,1139 3.795,1140 1.428,1141 4.045,1142 4.076,1143 3.985,1144 3.989,1145 7.428,1146 3.984,1147 3.93,1148 3.96,1149 3.866,1150 3.873,1151 4.904,1152 3.866,1153 3.914,1154 3.949,1155 3.837,1156 3.853,1157 4.83,1158 3.845,1159 3.876,1160 3.914,1161 3.809,1162 3.783,1163 4.774,1164 3.786,1165 3.796,1166 3.833,1167 3.723,1168 3.727,1169 4.747,1170 3.721,1171 3.59,1172 3.632,1173 3.525,1174 3.429,1175 4.598,1176 3.445,1177 3.491,1178 3.561,1179 3.349,1180 3.321,1181 4.213,1182 3.316,1183 3.266,1184 3.327,1185 3.142,1186 3.142,1187 4.18,1188 3.134,1189 0.095,1190 0.081,1191 0.137,1192 0.087,1193 0.065,1194 4.271,1195 0.087,1196 3.638,1197 0.028,1198 6.154,1199 0.202,1200 3.907,1201 0.064,1202 2.918,1203 3.924,1204 1.259,1205 9.101,1206 2.896,1207 2.008,1208 1.985,1209 2.108,1210 2.08,1211 1.267,1212 2.091,1213 1.924,1214 1.896,1215 2.057,1216 2.021,1217 1.229,1218 2.032,1219 1.919,1220 1.889,1221 2.041,1222 2.001,1223 1.147,1224 2.016,1225 1.861,1226 1.824,1227 1.985,1228 1.976,1229 1.097,1230 1.985,1231 1.798,1232 1.766,1233 1.929,1234 1.899,1235 1.048,1236 1.911,1237 1.533,1238 1.494,1239 1.734,1240 1.73,1241 0.895,1242 1.729,1243 1.476,1244 1.407,1245 1.669,1246 1.67,1247 0.771,1248 1.678,1249 1.27,1250 1.212,1251 1.501,1252 1.436,1253 0.633,1254 1.461,1255 4.511,1257 5.778,1259 7.235,1261 8.77,1263 10.341,1271 3.843,1272 3.539,1276 1.852,1280 49.208,1281 97.813,1282 223.636,1283 308.223,1284 382.171,1285 416.842,1286 426.842,1287 65.348,1288 8.256,1289 45.23,1290 45.23,1291 30,1292 12.546,1293 5.044,1294 4.17,1295 66.668,1296 261,1297 293,1298 0.118,1299 303.333,1300 529.27,1301 731.894,1302 55852,1304 28.116,1305 0.686,1306 0.566,1307 28.116,1308 23.195,1309 20.225,1310 0.449,1311 0.313,1312 13.983,1313 19.914,1314 13.623,1315 11.378,1316 20.225,1317 14.067,1318 17.144,1319 0.296,1320 0.174,1321 17.144,1322 10.106,1323 14.206,1324 0.197,1325 0.097,1326 14.206,1327 7.003,1328 11.236,1329 0.129,1330 0.054,1331 11.236,1332 4.709,1333 9.328,1334 0.086,1335 0.03,1336 9.328,1337 3.258,1338 0.195,1339 123.505,1340 0.179,1341 37.976,1342 0.301,1343 206,1344 487.359,1345 213.404,1346 494.464,1347 684.55,1348 466,1349 233,1350 498.693,1351 240.988,1352 519.78,1353 743.9,1354 489,1355 5.9} {0 CHEMBL187952,1 1.503,2 11.346,3 3.228,4 10.42,5 103.178,6 7.07,7 0.414,8 4.004,9 4.135,10 3.53,11 3.555,12 5.035,13 3.522,14 4.583,15 4.769,16 3.902,17 3.992,18 5.584,19 3.931,20 4.898,21 5.124,22 3.934,23 4.162,24 5.853,25 4.054,26 4.989,27 5.254,28 3.812,29 4.128,30 5.875,31 3.984,32 4.917,33 5.202,34 3.731,35 4.01,36 5.762,37 3.87,38 4.721,39 4.976,40 3.709,41 3.906,42 5.777,43 3.79,44 4.649,45 4.9,46 3.6,47 3.841,48 5.583,49 3.719,50 4.587,51 4.846,52 3.475,53 3.722,54 5.554,55 3.6,56 0.027,57 0.805,58 10.912,59 4.73,60 6.131,61 6.398,62 0.172,63 1.339,64 20.909,65 8.109,66 21.815,67 11.306,68 0.221,69 1.686,70 30.082,71 11.511,72 42.101,73 15.985,74 0.286,75 1.662,76 34.252,77 12.445,78 52.784,79 17.81,80 0.331,81 1.471,82 32.468,83 11.158,84 47.252,85 16.393,86 0.46,87 1.329,88 26.126,89 8.946,90 68.653,91 13.103,92 0.238,93 1.222,94 23.997,95 8.733,96 34.874,97 12.499,98 0.257,99 1.132,100 23.013,101 8.002,102 40.103,103 11.31,104 10,105 41,106 0.254,107 0.588,108 0.759,109 0.831,110 0.838,111 0.838,112 3.304,113 0.955,114 -4.89,115 -4.79,116 -4.5,119 42,121 2,122 2,124 1,125 3,140 7,141 2,142 3,156 1,169 10,172 3,174 1,176 6,178 11,182 3,186 7,189 8,193 5,197 5,199 6,203 3,207 1,208 1,211 9,215 2,218 1,220 2,222 11,226 2,229 1,231 1,233 7,237 3,240 1,242 2,244 6,254 2,256 6,259 968,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 16.034,266 24.757,267 10.251,268 17.866,269 14.303,270 14.303,271 14.303,272 14.303,273 14.303,274 11.884,275 32.455,276 4.898,277 14.727,278 4.141,279 2.173,280 1.158,281 0.735,282 0.695,283 0.695,284 4.002,287 1,288 1,289 1,290 646,291 2.828,294 59.335,295 232.544,298 105.574,302 1.68,303 25.162,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56,315 295,316 4.415,317 3.575,318 6.719,319 4.162,320 3.174,321 3.993,322 1.058,323 10.946,324 3.138,325 4.186,326 3.363,327 6.057,328 3.838,329 2.839,330 3.754,331 0.8,332 8.718,333 2.83,334 3.781,335 2.884,336 5.772,337 3.569,338 2.595,339 3.098,340 0.4,341 7.868,342 2.533,343 3.644,344 2.78,345 5.262,346 3.315,347 2.367,348 2.879,350 6.675,351 2.237,352 3.464,353 2.488,354 5.034,355 3.155,356 2.207,357 2.641,359 6.012,360 2.078,361 3.218,362 2.268,363 4.997,364 3.02,365 2.065,366 2.276,368 5.916,369 1.959,370 2.787,371 1.962,372 4.547,373 2.486,374 1.502,375 1.862,377 4.361,378 1.476,379 2.768,380 1.681,381 4.06,382 2.288,383 1.296,384 1.784,386 3.407,387 1.269,388 2.5,389 1.334,390 3.933,391 2.091,392 1.115,393 1.5,395 2.953,396 1.083,397 2.25,398 1.077,399 3.414,400 2,401 1,402 1.231,404 2.275,405 1,406 2,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 1.836,416 0.8,417 3.241,418 1.591,419 0.622,420 0.73,422 1.52,423 0.601,424 1.161,425 0.524,426 2.787,427 0.902,428 -0.057,429 -0.065,431 -0.138,432 -0.054,433 1.111,434 0.349,435 2.486,436 0.72,437 -0.221,438 -0.245,440 -0.489,441 -0.204,442 0.808,443 -0.034,444 2.267,445 0.622,446 -0.361,447 -0.454,449 -0.849,450 -0.346,451 12.319,452 0.474,453 0.661,454 0.025,455 31.25,456 1.202,457 14.5,458 0.558,459 16.75,460 0.644,461 22.557,462 0.868,463 28.481,464 0.57,465 22.096,466 0.85,467 5.954,468 0.229,469 6.644,470 0.256,471 0.091,473 0.357,477 1,479 0.65,480 1.158,481 0.812,482 1.068,483 0.51,484 0.98,485 0.709,486 1.02,487 0.909,488 1.001,489 0.479,490 0.98,491 0.856,492 1.064,493 1.041,494 1.131,495 0.741,496 1.118,497 0.774,498 0.928,499 0.972,500 1.051,501 0.736,502 1.046,503 0.69,504 0.733,505 0.819,506 0.84,507 0.674,508 0.848,509 0.586,510 0.757,511 0.916,512 0.91,513 0.483,514 0.949,515 0.719,516 0.924,517 0.943,518 1.023,519 0.725,520 1.019,521 0.959,522 0.87,523 0.993,524 0.954,525 0.978,526 0.975,527 5.5,528 0.104,529 3.333,530 1.507,531 1.383,532 0.782,533 0.454,534 0.466,535 0.3,536 0.136,537 8422,538 20421,539 2.124,540 48,541 1,542 16,545 2,547 5,550 1.689,551 2,552 3.474,553 0.213,554 1,555 1,559 75.16,560 1.503,561 3.471,562 4.486,563 4.909,564 4.949,565 4.949,566 2.917,567 3.95,568 4.67,569 3.586,570 1165.32,571 8.086,572 14530.1,574 1,576 1,577 282.193,578 1.37,579 4.637,580 0.19,581 0.006,582 0.081,583 0.038,584 0.041,585 0.024,586 0.015,587 0.017,588 0.013,589 0.006,590 0.43,591 0.5,592 1,593 0.54,594 127.614,595 -0.032,596 -0.072,597 0.047,598 0.01,599 -0.013,600 0.037,601 -0.002,602 0.004,603 -0.005,604 0.016,605 0.077,606 0.01,607 -0.064,608 -0.092,609 -0.107,610 -0.123,611 0.018,612 -0.12,613 -0.025,614 -0.08,615 -0.02,616 -0.076,617 0.014,618 -0.051,619 0.02,620 0.024,621 0.144,622 0.103,623 0.016,624 0.136,625 0.201,626 0.13,627 0.041,628 0.042,629 0.206,630 0.021,631 0.029,632 -0.049,633 0.003,634 -0.045,635 -0.012,636 -0.029,637 -0.049,638 -0.008,639 -0.018,641 -0.045,642 -0.004,643 2.008,644 5.39,645 0.808,646 23.42,647 0.997,648 1.132,649 3.655,650 13.361,651 0.656,652 3.401,653 3.738,654 4.007,655 4.263,656 4.511,657 4.585,658 4.691,659 4.844,660 4.905,661 4.963,662 6.423,663 0.619,664 353.48,665 3.401,666 4.949,667 5.802,668 6.681,669 7.552,670 8.436,671 9.315,672 10.202,673 11.086,674 11.976,675 6,678 1,680 1,682 1,688 7,693 5,695 12,702 1,707 1,713 1,714 50,716 13,717 2,718 29,720 53,721 21,722 12,723 5,724 7,725 1,730 4,731 5,740 2,741 2,743 2,745 13,746 8,747 2,750 1,755 1,759 1,760 1,761 1,762 1,764 24,765 5,766 2,767 5,773 3,777 0.75,778 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 26,833 5,834 2,837 2,838 1,846 1,847 2,850 1,854 13,855 9.01,856 5.611,857 3.109,858 2.165,859 1.286,860 0.999,861 4.859,862 9.729,863 3.611,864 4.159,865 4.668,866 5.169,867 5.676,868 5.829,869 6.068,870 6.363,871 6.576,872 6.872,873 0.875,874 40,875 9.685,877 4.216,878 7.737,879 18.823,881 16.165,883 2.237,884 58.167,887 1,888 258.964,889 111.827,890 39.146,892 25.145,893 14.96,895 111.827,896 284.109,897 54.106,898 8.396,899 29.397,900 66.334,901 47.86,902 24.13,903 14.96,904 258.964,906 258.964,907 150.972,908 40.105,911 215.069,912 84,915 32.521,916 100.44,917 18.011,919 273.924,920 64.291,921 111.827,924 258.964,925 37.096,926 77.854,927 36.022,928 40.105,929 258.964,930 79.251,931 111.827,933 0.588,934 0.339,935 0.176,936 0.101,937 21,938 9,939 0.057,940 3,941 1,942 1.095,943 3.856,944 221.096,945 0.095,946 21,947 114.211,951 17.354,952 7.279,953 3.734,955 79.251,956 11.672,961 3.382,963 36.022,964 450.042,965 36,970 12.39,974 -0.216,975 49.865,976 56.611,977 0.266,978 0.615,979 0.795,980 0.87,981 0.877,982 0.877,983 4.868,984 1.296,985 5.79,986 4.361,987 4.419,988 4.844,989 1.509,990 6.592,991 4.368,992 6.046,993 1.115,994 7.344,995 3.407,996 4.007,997 4.59,998 0.325,999 7.466,1000 3.929,1001 7.338,1002 1,1003 8.994,1004 2.953,1005 6.009,1006 6.924,1007 1.391,1008 10.552,1009 5.921,1010 8.659,1011 1,1012 10.701,1013 2.275,1014 6.399,1015 7.455,1016 0.268,1017 12.275,1018 6.3,1019 10.012,1020 0.622,1021 12.445,1022 2.275,1023 7.874,1024 9.297,1025 1.408,1026 14.886,1027 7.766,1028 11.385,1029 -0.057,1030 14.216,1031 1.52,1032 8.638,1033 10.198,1034 0.188,1035 16.977,1036 8.528,1037 12.775,1038 -0.221,1039 16.008,1040 -0.138,1041 9.899,1042 11.824,1043 1.463,1044 19.431,1045 9.78,1046 3.174,1047 -0.361,1048 17.816,1049 -0.489,1050 10.85,1051 12.922,1052 0.125,1053 21.688,1054 10.729,1055 2.839,1056 10.946,1057 19.638,1058 -0.849,1059 12.024,1060 14.436,1061 1.533,1062 24.091,1063 11.895,1064 2.595,1065 8.718,1066 21.472,1067 3.993,1068 13.067,1069 15.646,1070 0.082,1071 26.42,1072 12.935,1073 2.367,1074 7.868,1075 23.314,1076 3.754,1077 14.209,1078 17.098,1079 1.613,1080 28.808,1081 14.069,1082 2.207,1083 6.675,1084 25.165,1085 3.098,1086 15.299,1087 18.374,1088 0.054,1089 31.17,1090 15.152,1091 2.065,1092 6.012,1093 27.023,1094 2.879,1095 16.433,1096 19.79,1097 1.698,1098 33.556,1099 16.277,1100 1.502,1101 5.916,1102 28.887,1103 2.641,1104 17.546,1105 21.105,1106 0.035,1107 35.933,1108 17.383,1109 7956,1110 12573,1111 19.592,1112 32.785,1113 43.905,1114 45.036,1115 45.037,1116 43.658,1117 43.564,1118 53.496,1119 4.517,1120 125.856,1121 42.374,1122 5.415,1123 5.575,1124 6.133,1125 5.198,1126 5.174,1127 6.993,1128 2.117,1129 18.077,1130 5.138,1131 11.599,1132 1.514,1133 1.553,1134 1.553,1135 1.505,1136 1.502,1137 1.845,1138 0.156,1139 4.34,1140 1.461,1141 4.058,1142 4.096,1143 3.996,1144 3.972,1145 8.201,1146 3.973,1147 3.913,1148 3.94,1149 3.863,1150 3.836,1151 7.429,1152 3.838,1153 3.804,1154 3.864,1155 3.69,1156 3.67,1157 4.786,1158 3.666,1159 3.479,1160 3.545,1161 3.392,1162 3.287,1163 4.596,1164 3.298,1165 3.272,1166 3.331,1167 3.183,1168 3.058,1169 4.358,1170 3.086,1171 3.145,1172 3.218,1173 2.971,1174 2.941,1175 4.162,1176 2.921,1177 3.111,1178 3.206,1179 2.866,1180 2.925,1181 3.83,1182 2.91,1183 2.892,1184 2.964,1185 2.745,1186 2.75,1187 3.674,1188 2.742,1189 0.152,1190 0.123,1191 0.232,1192 0.144,1193 0.109,1194 4.415,1195 0.138,1196 3.575,1197 0.036,1198 6.719,1199 0.377,1200 4.162,1201 0.108,1202 3.174,1203 3.993,1204 1.058,1205 10.946,1206 3.138,1207 1.944,1208 1.916,1209 2.09,1210 2.058,1211 1.49,1212 2.07,1213 1.886,1214 1.859,1215 1.999,1216 2.007,1217 1.134,1218 2.006,1219 1.802,1220 1.753,1221 1.936,1222 1.925,1223 1.057,1224 1.931,1225 1.452,1226 1.374,1227 1.708,1228 1.685,1229 0.957,1230 1.699,1231 1.22,1232 1.178,1233 1.53,1234 1.497,1235 0.825,1236 1.49,1237 1.153,1238 1.064,1239 1.513,1240 1.402,1241 0.676,1242 1.429,1243 1.14,1244 1.051,1245 1.313,1246 1.376,1247 0.406,1248 1.4,1249 0.891,1250 0.834,1251 1.181,1252 1.112,1253 0.288,1254 1.133,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.528,1262 6.843,1263 10.173,1265 2.181,1267 13.029,1271 5.705,1272 6.45,1275 1.185,1276 2.388,1280 30.957,1281 75.16,1282 173.532,1283 224.277,1284 245.438,1285 247.438,1286 247.438,1287 45.301,1288 7.564,1289 44.37,1290 44.37,1291 23,1292 12.506,1293 3.807,1294 3,1295 38.116,1296 101,1297 104,1298 0.187,1299 187.722,1300 330,1301 449.801,1302 20221,1303 2,1304 18.096,1305 0.696,1306 0.576,1307 17.225,1308 14.965,1309 12.597,1310 0.434,1311 0.318,1312 9.12,1313 12.169,1314 8.913,1315 7.352,1316 12.204,1317 9.232,1318 11.597,1319 0.283,1320 0.18,1321 10.975,1322 7.391,1323 9.814,1324 0.182,1325 0.105,1326 9.403,1327 5.66,1328 7.949,1329 0.114,1330 0.058,1331 7.797,1332 4.094,1333 6.608,1334 0.073,1335 0.034,1336 6.397,1337 3.022,1338 0.294,1339 78.587,1340 0.226,1341 25.189,1342 0.509,1343 140,1344 398.157,1345 151.568,1346 363.912,1347 490.53,1348 340,1349 165,1350 353.674,1351 176.065,1352 355.923,1353 519.15,1354 335,1355 5.638} {0 CHEMBL18840,1 1.56,2 6.267,3 0.553,4 0.306,5 58.953,6 7.26,7 0.625,8 3.433,9 3.579,10 2.953,11 2.954,12 4.613,13 2.937,14 3.9,15 4.072,16 3.282,17 3.346,18 5.078,19 3.293,20 4.124,21 4.338,22 3.272,23 3.424,24 5.215,25 3.34,26 4.129,27 4.356,28 3.131,29 3.341,30 5.208,31 3.238,32 4.049,33 4.319,34 2.917,35 3.129,36 5.067,37 3.003,38 3.832,39 4.098,40 2.734,41 2.847,42 4.985,43 2.735,44 3.632,45 3.916,46 2.094,47 2.468,48 4.756,49 2.314,50 3.256,51 3.599,52 1.614,53 1.911,54 4.536,55 1.706,56 0.05,57 0.43,58 6.007,59 2.227,60 11.07,61 3.142,62 0.099,63 0.641,64 10.026,65 4.045,66 22.959,67 5.685,68 0.109,69 0.726,70 13.431,71 4.996,72 25.75,73 7.124,74 0.131,75 0.705,76 13.759,77 4.671,78 26.723,79 6.849,80 0.142,81 0.605,82 13.335,83 4.252,84 25.433,85 6.47,86 0.159,87 0.476,88 10.768,89 3.158,90 23.711,91 4.913,92 0.176,93 0.343,94 9.359,95 2.187,96 35.785,97 3.455,98 0.188,99 0.203,100 6.844,101 1.592,102 38.107,103 2.6,104 15,105 22,106 0.304,107 0.712,108 0.848,109 0.882,110 0.882,111 0.882,112 2.796,113 0.904,114 -2.04,115 -2.09,116 -2.08,119 39.3,121 1,125 1,140 3,141 3,149 1,150 1,156 1,161 2,162 2,163 2,169 6,172 1,173 1,174 1,176 5,178 6,180 2,182 2,186 6,189 5,191 3,193 2,197 4,199 3,201 3,203 1,207 1,208 2,210 1,211 1,213 2,215 1,218 1,219 1,220 3,221 1,224 3,231 1,235 1,239 1,240 1,241 1,243 2,247 1,259 210,260 10.077,261 10.077,262 10.077,263 10.077,264 10.077,265 8.803,266 6.212,267 5.995,268 10.129,269 7.848,270 7.848,271 7.848,272 7.848,273 7.848,274 5.86,275 3.822,276 2.732,277 7.932,278 3.247,279 1.156,280 0.456,281 0.286,282 0.286,283 0.286,284 3.44,288 1,289 1,290 191,291 2.646,294 29.378,295 33.706,298 53.12,302 0.987,303 14.762,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 32.5,315 94,316 4.562,317 3.509,318 6.558,319 4.097,320 3.107,321 4.512,322 0.98,323 10.396,324 3.076,325 3.98,326 3.124,327 5.87,328 3.626,329 2.616,330 3.425,332 7.998,333 2.632,334 3.378,335 2.247,336 5.122,337 2.989,338 2.002,339 2.71,341 5.963,342 1.973,343 2.901,344 1.859,345 4.202,346 2.378,347 1.39,348 2.019,350 3.66,351 1.365,352 2.665,353 1.387,354 3.772,355 2.248,356 1.249,357 1.69,359 2.858,360 1.243,361 2.285,362 1.134,363 3.299,364 1.969,365 1,366 1.227,368 1.992,369 0.965,370 1.942,371 0.718,372 3.017,373 1.539,374 0.577,375 0.775,377 1.202,378 0.553,379 0.954,380 0.159,381 2.331,382 0.619,383 -0.344,384 -0.404,386 -0.622,387 -0.33,388 0.672,389 -0.124,390 2,391 0.248,392 -0.745,393 -0.958,395 -1.731,396 -0.733,397 0.482,398 -0.685,399 2,400 0.064,401 -0.934,402 -1.312,404 -2,405 -0.917,406 0.367,407 -0.907,408 1.699,409 0.027,410 -1,411 -1.382,413 -2.674,414 -1.036,415 -0.085,416 -1.301,417 1.366,418 -0.48,419 -1.446,420 -1.746,422 -3.915,423 -1.394,424 -0.306,425 -1.582,426 1,427 -0.653,428 -1.649,429 -2.174,431 -4.916,432 -1.65,433 -0.5,434 -1.734,435 0.857,436 -0.89,437 -1.882,438 -2.531,440 -5.382,441 -1.842,442 -0.581,443 -1.925,444 0.674,445 -0.981,446 -1.941,447 -2.852,449 -6.173,450 -1.906,451 7.033,452 0.469,453 0.366,454 0.024,455 18.75,456 1.25,457 9.5,458 0.633,459 9.25,460 0.617,461 9.34,462 0.623,463 16.367,464 0.585,465 11.764,466 0.784,467 3.88,468 0.259,469 3.34,470 0.223,471 0.161,473 0.355,479 0.97,480 1.02,481 0.886,482 0.844,483 0.86,484 0.827,485 0.58,486 1.063,487 0.826,488 1.025,489 0.498,490 0.971,491 0.867,492 1.079,493 0.922,494 1.065,495 0.826,496 1.018,497 1.015,498 1.175,499 1.121,500 1.192,501 0.937,502 1.176,503 0.793,504 1.072,505 0.943,506 1.092,507 0.799,508 1.05,509 0.794,510 1.142,511 0.974,512 1.171,513 0.862,514 1.109,515 1.902,516 0.978,517 1.425,518 0.989,519 2.024,520 1.115,521 1.157,522 0.445,523 0.94,524 0.584,525 1.309,526 0.718,527 3,529 2,530 0.979,531 0.693,532 0.549,533 0.253,534 0.09,537 1435,538 4254,539 1.993,540 46.4,542 5,543 1,545 5,547 2,550 1.534,551 1.837,552 2.698,553 3.198,557 1,559 43.692,560 1.56,561 3.651,562 4.352,563 4.522,564 4.522,565 4.522,566 2.182,567 3.374,568 3.875,569 2.76,570 289.838,571 6.513,572 2344.58,574 1,577 134.606,578 1.506,579 3.82,580 0.188,582 0.091,583 0.047,584 0.041,585 0.042,586 0.025,587 0.023,590 0.456,591 0.5,592 1,593 1.373,594 57.741,595 -0.205,596 0.235,597 -0.03,598 0.207,599 -0.181,600 0.142,601 0.096,602 0.065,603 0.039,604 0.055,605 0.128,606 0.043,607 -0.064,608 -0.075,609 -0.009,610 -0.024,611 -0.016,612 -0.011,613 -0.135,614 -0.18,615 -0.191,616 -0.199,617 -0.096,618 -0.203,619 0.046,620 -0.163,621 0.026,622 -0.138,623 0.004,624 -0.073,625 0.213,626 -0.223,627 0.018,628 -0.26,629 0.104,630 -0.169,631 -0.395,632 -0.129,633 -0.361,634 -0.155,635 -0.39,636 -0.24,637 0.26,638 0.274,639 0.184,640 0.22,641 0.262,642 0.185,643 2.072,644 4.023,645 0.6,646 8.267,647 1.002,648 1.135,649 0.81,650 0.656,651 0.653,652 2.833,653 3.135,654 3.401,655 3.638,656 3.807,657 3.871,658 3.85,659 3.714,660 3.332,661 2.944,662 3.872,663 0.622,664 203.27,665 2.833,666 4.344,667 5.187,668 6.061,669 6.934,670 7.817,671 8.699,672 9.585,673 10.469,674 11.356,675 10.7,676 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,701 1,714 28,716 11,717 1,718 16,720 29,721 11,722 8,723 3,724 3,725 1,730 2,731 3,736 1,743 1,745 9,746 2,750 1,755 1,759 1,761 1,764 13,765 3,766 5,767 4,773 3,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,827 15,828 2,833 2,847 3.6,850 1,854 8.167,855 4.667,856 3.417,857 1.528,858 2.208,859 1.377,860 1.013,861 2.644,862 8.063,863 3.135,864 3.767,865 4.414,866 5.038,867 5.551,868 5.93,869 6.269,870 6.494,871 6.217,872 5.983,873 1,874 21,875 5.498,876 -0.001,877 2.299,878 7.956,879 10.345,881 8.363,883 2.456,884 36.833,885 0.003,888 94.169,889 57.909,890 82.58,892 25.145,895 57.909,896 119.314,897 82.58,899 70.435,900 37.476,901 29.85,902 25.73,903 13.915,904 82.398,906 94.169,907 140.489,908 25.145,911 70.627,912 48.687,915 87.22,916 53.269,919 94.169,920 107.725,921 57.909,924 94.169,925 20.433,926 37.476,927 16.786,928 90.939,929 94.169,930 107.725,931 57.909,933 0.572,934 0.337,935 0.182,936 0.102,937 11,938 5,939 0.103,940 3,941 1,942 1.222,943 2.683,944 96.996,945 0.222,946 9,947 58.603,951 10.051,952 3.946,953 1.829,954 2.028,955 90.939,956 7.296,958 3.131,961 1.649,963 82.58,964 259.803,965 22,970 11.023,974 -0.406,975 28.051,976 31.78,977 0.325,978 0.76,979 0.905,980 0.941,981 0.941,982 0.941,983 4.337,984 -0.344,985 5.176,986 1.202,987 3.807,988 4.449,989 1.072,990 5.994,991 3.788,992 5.564,993 -0.745,994 6.744,995 -0.622,996 3.434,997 4.388,999 6.94,1000 3.43,1001 6.887,1002 -0.934,1003 8.416,1004 -1.731,1005 5.398,1006 6.759,1007 1.045,1008 10.019,1009 5.369,1010 8.255,1011 -1,1012 10.146,1013 -2,1014 5.861,1015 7.565,1017 11.791,1018 5.839,1019 9.657,1020 -1.446,1021 11.914,1022 -2.674,1023 7.307,1024 9.411,1025 1.019,1026 14.379,1027 7.267,1028 11.084,1029 -1.649,1030 13.705,1031 -3.915,1032 8.137,1033 10.602,1035 16.48,1036 8.095,1037 12.529,1038 -1.882,1039 15.514,1040 -4.916,1041 9.38,1042 12.242,1043 0.993,1044 18.903,1045 9.325,1046 3.107,1047 -1.941,1048 17.335,1049 -5.382,1050 10.372,1051 13.607,1053 21.141,1054 10.31,1055 2.616,1056 10.396,1057 19.166,1058 -6.173,1059 11.538,1060 15.165,1061 0.967,1062 23.506,1063 11.463,1064 2.002,1065 7.998,1066 21.004,1067 4.512,1068 12.602,1069 16.607,1071 25.801,1072 12.517,1073 1.39,1074 5.963,1075 22.848,1076 3.425,1077 13.739,1078 18.132,1079 0.942,1080 28.147,1081 13.643,1082 1.249,1083 3.66,1084 24.697,1085 2.71,1086 14.836,1087 19.61,1089 30.468,1090 14.729,1091 1,1092 2.858,1093 26.55,1094 2.019,1095 15.964,1096 21.123,1097 0.917,1098 32.808,1099 15.845,1100 0.577,1101 1.992,1102 28.406,1103 1.69,1104 17.078,1105 22.616,1107 35.14,1108 16.947,1109 1535,1110 2688,1111 10.345,1112 18.279,1113 24.175,1114 24.562,1115 25.181,1116 23.867,1117 23.883,1118 32.717,1119 1.96,1120 68.14,1121 23.614,1122 5.277,1123 5.509,1124 6.324,1125 5.097,1126 5.107,1127 7.512,1128 1.96,1129 17.052,1130 5.076,1131 7.68,1132 1.511,1133 1.535,1134 1.574,1135 1.492,1136 1.493,1137 2.045,1138 0.122,1139 4.259,1140 1.476,1141 4.134,1142 4.166,1143 4.094,1144 4.054,1145 7.437,1146 4.06,1147 3.614,1148 3.665,1149 3.539,1150 3.471,1151 5.029,1152 3.477,1153 3.439,1154 3.522,1155 3.292,1156 3.196,1157 4.946,1158 3.211,1159 3.114,1160 3.194,1161 2.981,1162 2.885,1163 4.856,1164 2.895,1165 2.898,1166 2.989,1167 2.761,1168 2.662,1169 4.208,1170 2.684,1171 2.639,1172 2.769,1173 2.369,1174 2.323,1175 3.786,1176 2.318,1177 2.387,1178 2.481,1179 2.179,1180 2.152,1181 3.424,1182 2.144,1183 2.178,1184 2.28,1185 1.969,1186 1.734,1187 3.059,1188 1.758,1189 0.285,1190 0.219,1191 0.41,1192 0.256,1193 0.194,1194 4.562,1195 0.282,1196 3.509,1197 0.061,1198 6.558,1199 0.65,1200 4.097,1201 0.192,1202 3.107,1203 4.512,1204 0.98,1205 10.396,1206 3.076,1207 1.956,1208 1.937,1209 2.036,1210 2.036,1211 1.234,1212 2.036,1213 1.651,1214 1.594,1215 1.854,1216 1.846,1217 1.028,1218 1.854,1219 1.334,1220 1.273,1221 1.537,1222 1.634,1223 0.558,1224 1.606,1225 1.185,1226 1.118,1227 1.385,1228 1.486,1229 0.326,1230 1.468,1231 0.858,1232 0.781,1233 1.151,1234 1.137,1235 0.132,1236 1.154,1237 0.681,1238 0.579,1239 1.059,1240 0.959,1241 0.016,1242 1.001,1243 0.487,1244 0.347,1245 0.89,1246 0.819,1248 0.849,1249 0.062,1251 0.686,1252 0.54,1254 0.576,1255 3.497,1257 4.796,1258 2.398,1259 6.297,1260 4.727,1261 7.894,1262 6.823,1263 9.543,1269 10.727,1271 1.385,1280 17.413,1281 43.692,1282 102.241,1283 121.851,1284 126.606,1285 126.606,1286 126.606,1287 21.107,1288 5.855,1289 84.9,1290 84.9,1291 11,1292 11.888,1293 3.585,1294 2.807,1295 23.49,1296 34,1297 37,1298 0.364,1299 111.242,1300 180.93,1301 263.189,1302 1939,1304 10.836,1305 0.722,1306 0.552,1307 10.836,1308 8.287,1309 7.22,1310 0.451,1311 0.301,1312 4.765,1313 6.996,1314 4.67,1315 3.886,1316 7.22,1317 4.82,1318 6.367,1319 0.289,1320 0.158,1321 6.367,1322 3.477,1323 5.205,1324 0.179,1325 0.085,1326 5.205,1327 2.466,1328 4.215,1329 0.114,1330 0.046,1331 4.215,1332 1.694,1333 3.248,1334 0.074,1335 0.025,1336 3.248,1337 1.093,1338 0.535,1339 44.991,1340 0.311,1341 14.902,1342 1.098,1343 76,1344 210.693,1345 81.656,1346 209.58,1347 283.24,1348 194,1349 89,1350 205.876,1351 93.992,1352 211.177,1353 306.57,1354 199,1355 8.8} {0 CHEMBL188486,1 1.28,2 18.462,3 6.395,4 40.893,5 165.134,6 6.638,7 0.571,8 4.4,9 4.532,10 3.87,11 3.992,12 5.423,13 3.932,14 4.925,15 5.121,16 4.147,17 4.361,18 5.865,19 4.271,20 5.181,21 5.402,22 4.181,23 4.516,24 6.062,25 4.38,26 5.311,27 5.579,28 4.099,29 4.485,30 6.144,31 4.323,32 5.248,33 5.521,34 4.13,35 4.433,36 6.125,37 4.295,38 5.175,39 5.408,40 4.139,41 4.436,42 6.136,43 4.307,44 5.227,45 5.477,46 4.092,47 4.448,48 6.135,49 4.304,50 5.175,51 5.424,52 4.077,53 4.464,54 6.005,55 4.311,56 0.08,57 1.048,58 17.4,59 7.443,60 12.901,61 10.456,62 0.278,63 1.724,64 30.652,65 11.753,66 27.368,67 16.949,68 0.26,69 2.115,70 39.663,71 16.403,72 35.394,73 23.241,74 0.33,75 2.299,76 46.362,77 18.163,78 53.695,79 25.976,80 0.396,81 2.189,82 43.848,83 16.36,84 55.831,85 23.666,86 0.286,87 2.03,88 40.102,89 15.913,90 55.486,91 22.332,92 0.362,93 2.108,94 42.735,95 16.585,96 63.523,97 23.316,98 0.233,99 2.071,100 39.661,101 16.345,102 39.138,103 23.45,104 13,105 54,106 0.195,107 0.456,108 0.624,109 0.754,110 0.805,111 0.825,112 3.692,113 0.976,114 -6.36,115 -6.19,116 -5.75,119 44.9,121 1,124 2,125 5,134 2,140 18,141 6,156 1,169 28,171 1,172 3,176 2,178 33,181 1,182 4,186 3,189 26,193 5,197 4,199 16,202 1,203 9,208 3,211 15,215 10,220 2,222 15,226 8,231 2,233 17,237 6,242 2,244 21,249 6,254 1,256 24,259 3557,260 26.689,261 26.689,262 26.689,263 26.689,264 26.689,265 23.567,266 23.094,267 16.462,268 26.949,269 20.781,270 20.781,271 20.781,272 20.781,273 20.781,274 16.171,275 28.362,276 7.922,277 21.152,278 5.005,279 3.293,280 2.187,281 1.334,282 0.994,283 0.866,284 4.39,290 1532,291 4.583,295 660.891,302 3.093,303 18.275,306 0.5,307 0.5,308 0.5,309 0.6,310 0.5,311 0.5,312 0.5,313 0.51,314 80.5,315 720,316 4.271,317 3.626,318 6.153,319 3.902,320 2.909,321 3.924,322 1.23,323 9.092,324 2.895,325 4.064,326 2.94,327 6.057,328 3.782,329 2.81,330 3.538,331 0.8,332 8.737,333 2.723,334 3.92,335 2.776,336 5.36,337 3.528,338 2.531,339 3.455,340 0.657,341 7.016,342 2.524,343 3.896,344 2.718,345 5.343,346 3.514,347 2.516,348 3.443,349 0.521,350 6.972,351 2.511,352 3.819,353 2.612,354 5.328,355 3.45,356 2.456,357 3.152,359 6.926,360 2.438,361 3.597,362 2.544,363 5.25,364 3.256,365 2.262,366 2.934,368 6.629,369 2.251,370 3.222,371 2.503,372 4.66,373 3.1,374 2.176,375 2.26,377 5.161,378 2.004,379 3.021,380 2.033,381 4.363,382 2.627,383 1.65,384 2.158,386 4.212,387 1.611,388 2.959,389 1.797,390 4.098,391 2.566,392 1.577,393 2.122,395 3.632,396 1.557,397 2.913,398 1.564,399 3.721,400 2.477,401 1.478,402 2.077,404 3.321,405 1.475,406 2.625,407 1.522,408 3.601,409 2.301,410 1.318,411 1.596,413 3.021,414 1.287,415 2.5,416 1.404,417 3.462,418 2.214,419 1.244,420 1.5,422 2.744,423 1.202,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.5,434 1,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.5,443 1,444 3.247,445 2,446 1,447 1.5,449 2.136,450 1,451 19.033,452 0.488,453 0.694,454 0.018,455 50.25,456 1.288,457 27,458 0.692,459 23.25,460 0.596,461 33.332,462 0.855,463 40.967,464 0.525,465 41.398,466 1.061,467 10.492,468 0.269,469 8.572,470 0.22,471 0.07,473 0.226,479 0.804,480 1.251,481 0.917,482 1.071,483 0.647,484 1.01,485 1.199,486 0.957,487 1.064,488 0.924,489 0.679,490 0.961,491 0.94,492 1.136,493 1.11,494 1.157,495 0.907,496 1.146,497 1.216,498 1.064,499 1,500 1.013,501 1.363,502 0.999,503 1.276,504 0.882,505 0.91,506 0.843,507 1.161,508 0.845,509 1.461,510 1.114,511 1.052,512 1.087,513 1.661,514 1.054,515 1.731,516 0.969,517 1.066,518 0.944,519 2.076,520 0.967,521 0.777,522 1.048,523 1.02,524 1.046,525 0.661,526 1.047,527 6.5,528 0.239,529 3.333,530 1.125,531 1.307,532 1.083,533 0.709,534 0.483,535 0.382,536 0.241,537 29850,538 63044,539 2.082,540 50,542 36,545 1,547 2,550 1.789,551 2,552 4.111,553 -0.511,559 99.851,560 1.28,561 2.993,562 4.098,563 4.952,564 5.292,565 5.42,566 3.618,567 4.773,568 5.25,569 4.343,570 3218.5,571 9.234,572 61258.4,577 490.261,578 1.14,579 5.24,580 0.155,581 0.006,582 0.062,583 0.021,584 0.028,585 0.022,586 0.014,587 0.01,588 0.008,589 0.005,590 0.33,591 0.33,592 0.63,593 0.827,594 226.392,595 0.033,596 -0.111,597 0.05,598 -0.025,599 -0.023,600 0.006,601 -0.061,602 0.172,603 -0.066,604 0.059,605 0.012,606 0.011,607 -0.013,608 -0.108,609 -0.132,610 -0.151,611 -0.035,612 -0.15,613 -0.022,614 -0.093,616 -0.037,617 -0.068,618 -0.022,619 0.055,620 0.122,621 0.106,622 0.113,623 0.087,624 0.115,625 -0.031,626 -0.118,627 -0.044,628 -0.096,629 0.036,630 -0.075,631 -0.164,632 0.011,633 -0.047,634 0.035,635 -0.186,636 0.004,637 -0.035,638 -0.047,639 -0.049,640 -0.048,641 -0.034,642 -0.049,643 1.641,644 6.036,645 0.615,646 66.744,647 0.981,648 1.118,649 5.128,650 26.295,651 0.669,652 3.761,653 4.007,654 4.19,655 4.357,656 4.575,657 4.543,658 4.644,659 4.745,660 4.86,661 4.934,662 10.6,663 0.619,664 517.77,665 3.761,666 5.263,667 6.066,668 6.893,669 7.711,670 8.541,671 9.367,672 10.2,673 11.031,674 11.866,675 3.8,677 1,678 1,682 1,688 18,693 6,695 24,714 78,716 26,717 4,718 42,720 81,721 35,722 24,723 6,724 18,725 3,730 4,731 4,743 1,745 27,746 8,750 2,755 1,757 2,759 1,764 39,765 4,766 1,767 4,773 3,777 1,778 1,793 4,806 1,810 2,814 1,815 1,819 4,823 2,827 39,833 6,834 1,838 2,847 1.3,850 1,854 19.5,855 14.233,856 8.806,857 4.59,858 4.358,859 1.543,860 0.979,861 10.805,862 12.38,863 4.043,864 4.554,865 5.056,866 5.535,867 6.068,868 6.118,869 6.473,870 6.786,871 7.142,872 7.409,873 1,874 53,875 14.425,877 5.847,878 7.504,879 28.302,881 22.604,883 2.004,884 78.167,888 447.302,889 243.199,890 24.259,892 25.145,895 243.199,896 472.447,897 24.259,898 16.793,899 16.187,900 207.536,901 29.85,902 22.238,904 447.302,906 447.302,907 267.458,908 25.145,911 423.76,912 48.687,915 37.322,916 211.183,917 18.952,919 447.302,920 49.404,921 243.199,924 447.302,925 36.881,926 212.566,927 18.011,928 25.145,929 447.302,930 49.404,931 243.199,933 0.562,934 0.308,935 0.157,936 0.089,937 21,938 9,939 0.16,940 13,942 1,943 5.219,944 344.255,946 24,947 188.131,951 28.197,952 14.945,953 9.457,955 49.404,956 37.833,961 7.16,963 18.011,964 739.905,965 56,970 13.036,972 3.564,974 0.026,975 76.538,976 87.178,977 0.204,978 0.476,979 0.652,980 0.788,981 0.842,982 0.862,983 5.231,984 1.65,985 5.994,986 5.161,987 4.691,988 5.242,989 1.832,990 6.681,991 4.661,992 6.387,993 1.577,994 7.473,995 4.212,996 4.007,997 4.663,998 0.57,999 7.322,1000 3.956,1001 7.637,1002 1.478,1003 9.047,1004 3.632,1005 6.168,1006 7.298,1007 1.769,1008 10.352,1009 6.109,1010 8.92,1011 1.318,1012 10.679,1013 3.321,1014 6.312,1015 7.531,1016 0.877,1017 11.847,1018 6.237,1019 10.233,1020 1.244,1021 12.351,1022 3.021,1023 7.886,1024 9.605,1025 1.918,1026 14.344,1027 7.804,1028 11.567,1029 1,1030 14.049,1031 2.744,1032 8.435,1033 10.247,1034 1.23,1035 16.203,1036 8.339,1037 12.917,1038 1,1039 15.767,1040 2.275,1041 9.736,1042 12.036,1043 2.168,1044 18.504,1045 9.632,1046 2.909,1047 1,1048 17.5,1049 2.275,1050 10.504,1051 12.919,1052 1.632,1053 20.534,1054 10.387,1055 2.81,1056 9.092,1057 19.244,1058 2.136,1059 11.667,1060 14.54,1061 2.468,1062 22.76,1063 11.542,1064 2.531,1065 8.737,1066 20.997,1067 3.924,1068 12.558,1069 15.578,1070 2.06,1071 24.872,1072 12.418,1073 2.516,1074 7.016,1075 22.758,1076 3.538,1077 13.653,1078 17.094,1079 2.798,1080 27.072,1081 13.505,1082 2.456,1083 6.972,1084 24.524,1085 3.455,1086 14.611,1087 18.236,1088 2.499,1089 29.223,1090 14.45,1091 2.262,1092 6.926,1093 26.297,1094 3.443,1095 15.676,1096 19.686,1097 3.147,1098 31.415,1099 15.505,1100 2.176,1101 6.629,1102 28.073,1103 3.152,1104 16.672,1105 20.898,1106 2.94,1107 33.587,1108 16.49,1109 28373,1110 41369,1111 28.602,1112 52.177,1113 61.588,1114 61.543,1115 61.403,1116 60.693,1117 60.644,1118 79.716,1119 6.418,1120 158.909,1121 59.695,1122 5.168,1123 5.626,1124 5.955,1125 4.918,1126 4.909,1127 6.924,1128 2.335,1129 15.265,1130 4.895,1131 15.351,1132 1.466,1133 1.465,1134 1.462,1135 1.445,1136 1.444,1137 1.898,1138 0.153,1139 3.784,1140 1.421,1141 4.041,1142 4.071,1143 3.98,1144 3.987,1145 7.428,1146 3.981,1147 3.924,1148 3.953,1149 3.857,1150 3.871,1151 4.841,1152 3.863,1153 3.913,1154 3.947,1155 3.836,1156 3.853,1157 4.774,1158 3.844,1159 3.82,1160 3.863,1161 3.745,1162 3.742,1163 4.747,1164 3.737,1165 3.704,1166 3.77,1167 3.603,1168 3.521,1169 4.599,1170 3.533,1171 3.541,1172 3.605,1173 3.424,1174 3.351,1175 4.339,1176 3.357,1177 3.49,1178 3.559,1179 3.349,1180 3.321,1181 4.206,1182 3.316,1183 3.267,1184 3.337,1185 3.126,1186 3.125,1187 4.171,1188 3.117,1189 0.102,1190 0.086,1191 0.146,1192 0.093,1193 0.069,1194 4.271,1195 0.093,1196 3.626,1197 0.029,1198 6.153,1199 0.216,1200 3.902,1201 0.069,1202 2.909,1203 3.924,1204 1.23,1205 9.092,1206 2.895,1207 2.007,1208 1.985,1209 2.108,1210 2.078,1211 1.269,1212 2.09,1213 1.922,1214 1.895,1215 2.057,1216 2.015,1217 1.232,1218 2.03,1219 1.919,1220 1.889,1221 2.04,1222 1.998,1223 1.167,1224 2.014,1225 1.817,1226 1.783,1227 1.957,1228 1.941,1229 1.099,1230 1.95,1231 1.66,1232 1.594,1233 1.886,1234 1.867,1235 1.063,1236 1.88,1237 1.497,1238 1.435,1239 1.734,1240 1.72,1241 0.896,1242 1.725,1243 1.472,1244 1.406,1245 1.68,1246 1.67,1247 0.791,1248 1.679,1249 1.273,1250 1.205,1251 1.544,1252 1.461,1253 0.666,1254 1.492,1255 4.443,1257 5.707,1259 7.154,1261 8.677,1263 10.24,1265 4.062,1271 4.932,1272 3.54,1276 4.015,1280 48.261,1281 99.851,1282 233.441,1283 319.654,1284 386.222,1285 412.752,1286 422.752,1287 68.619,1288 8.022,1289 35.58,1290 35.58,1291 24,1292 12.436,1293 4.755,1294 3.907,1295 70.813,1296 249,1297 263,1298 0.134,1299 300.324,1300 525.85,1301 724.551,1302 42720,1304 27.288,1305 0.7,1306 0.592,1307 27.288,1308 23.092,1309 19.064,1310 0.454,1311 0.325,1312 13.557,1313 18.703,1314 13.107,1315 11.01,1316 19.064,1317 13.663,1318 16.376,1319 0.303,1320 0.187,1321 16.376,1322 10.113,1323 12.96,1324 0.199,1325 0.103,1326 12.96,1327 6.724,1328 10.006,1329 0.13,1330 0.057,1331 10.006,1332 4.373,1333 8.283,1334 0.086,1335 0.032,1336 8.283,1337 3.09,1338 0.222,1339 116.816,1340 0.187,1341 36.63,1342 0.337,1343 192,1344 441.359,1345 199.432,1346 446.467,1347 613.68,1348 420,1349 215,1350 441.988,1351 223.183,1352 463.269,1353 660.29,1354 433,1355 6.8} {0 CHEMBL190190,1 1.398,2 13.567,3 4.256,4 18.109,5 120.802,6 6.906,7 0.618,8 4.155,9 4.283,10 3.681,11 3.706,12 5.134,13 3.672,14 4.722,15 4.913,16 4.024,17 4.108,18 5.63,19 4.055,20 4.968,21 5.19,22 4.047,23 4.257,24 5.813,25 4.158,26 5.045,27 5.294,28 3.932,29 4.248,30 5.817,31 4.105,32 5.048,33 5.327,34 3.782,35 4.145,36 5.754,37 3.986,38 4.9,39 5.167,40 3.729,41 4.056,42 5.631,43 3.913,44 4.857,45 5.119,46 3.651,47 4.037,48 5.582,49 3.877,50 4.798,51 5.076,52 3.543,53 3.942,54 5.485,55 3.771,56 0.053,57 0.859,58 13.053,59 5.319,60 8.561,61 7.419,62 0.219,63 1.436,64 24.687,65 8.557,66 20.496,67 12.319,68 0.368,69 1.736,70 32.383,71 11.55,72 29.307,73 16.567,74 0.321,75 1.77,76 35.334,77 13.512,78 30.23,79 19.333,80 0.331,81 1.704,82 36.533,83 13.049,84 31.614,85 18.929,86 0.343,87 1.522,88 31.186,89 10.934,90 27.352,91 16.013,92 0.289,93 1.478,94 29.483,95 10.956,96 24.602,97 15.872,98 0.195,99 1.359,100 27.915,101 10.518,102 21.177,103 15.414,104 2,105 47,106 0.226,107 0.538,108 0.718,109 0.829,110 0.862,111 0.862,112 3.44,113 0.949,114 -3.48,115 -3.45,116 -3.3,119 43.1,120 1,125 7,140 9,141 3,142 1,144 2,149 1,150 1,169 9,172 7,176 3,178 10,181 2,182 5,186 2,189 8,192 1,193 5,195 1,197 1,199 6,203 5,211 2,214 1,215 4,222 1,225 1,226 4,229 1,237 5,249 4,259 1462,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.409,266 20.284,267 12.418,268 21.361,269 16.829,270 16.829,271 16.829,272 16.829,273 16.829,274 13.175,275 26.522,276 5.908,277 17.598,278 4.46,279 2.532,280 1.422,281 0.737,282 0.53,283 0.53,284 4.156,288 1,289 1,290 918,291 2.915,294 70.992,295 349.245,298 132.47,299 142.557,302 2.158,303 14.314,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 407,316 4.516,317 3.196,318 6.521,319 4.041,320 3.06,321 4.458,322 0.916,323 10.259,324 3.003,325 4.513,326 3.182,327 6.517,328 4.026,329 3.054,330 4.458,331 0.86,332 10.248,333 2.968,334 3.722,335 2.933,336 5.538,337 3.573,338 2.648,339 3.17,340 0.8,341 7.503,342 2.448,343 3.689,344 2.641,345 5.327,346 3.294,347 2.349,348 2.924,349 0.172,350 6.75,351 2.22,352 3.468,353 2.558,354 5.269,355 3.204,356 2.26,357 2.634,359 6.656,360 2.139,361 3.296,362 2.157,363 4.964,364 2.886,365 1.923,366 2.587,368 5.659,369 1.838,370 3.096,371 2.075,372 4.813,373 2.828,374 1.87,375 2.322,377 5.291,378 1.783,379 3.047,380 1.601,381 4.196,382 2.522,383 1.548,384 2.22,386 3.817,387 1.506,388 2.989,389 1.548,390 4.104,391 2.512,392 1.524,393 2.124,395 3.66,396 1.504,397 2.5,398 1.465,399 3.529,400 2.16,401 1.23,402 1.5,404 2.718,405 1.133,406 2.492,407 1.146,408 3.416,409 1.97,410 1,411 1.489,413 2.275,414 0.968,415 2.159,416 1,417 3.414,418 1.967,419 1,420 1.095,422 2.235,423 0.965,424 2.062,425 0.974,426 3.327,427 1.842,428 0.872,429 1,431 2.026,432 0.842,433 2,434 0.837,435 3.242,436 1.638,437 0.675,438 0.908,440 1.707,441 0.649,442 1.378,443 0.429,444 2.844,445 1.143,446 0.203,447 0.23,449 0.494,450 0.19,451 14.433,452 0.481,453 0.585,454 0.019,455 38.5,456 1.283,457 18.5,458 0.617,459 20,460 0.667,461 25.232,462 0.841,463 31.767,464 0.548,465 26.328,466 0.878,467 7.7,468 0.257,469 7.059,470 0.235,471 0.035,473 0.298,479 0.944,480 1.384,481 0.845,482 1.115,483 0.861,484 0.991,485 1.483,486 1.097,487 0.997,488 0.915,489 0.997,490 0.9,491 1.317,492 0.989,493 1.107,494 0.998,495 1.097,496 1.023,497 0.928,498 1.069,499 1.044,500 1.133,501 0.872,502 1.11,503 1.25,504 0.984,505 1,506 0.971,507 1.142,508 0.97,509 1.192,510 0.941,511 1.044,512 0.937,513 1.113,514 0.971,515 0.967,516 0.997,517 1.109,518 1.077,519 1.08,520 1.104,521 0.785,522 1.087,523 0.979,524 1.071,525 0.862,526 1.052,527 5,528 0.115,529 3.111,530 1.438,531 1.342,532 0.566,533 0.472,534 0.295,535 0.186,536 0.14,537 15065,538 31780,539 2.207,540 48.3,542 23,543 1,545 1,546 3,550 1.719,551 2.143,552 3.674,553 -0.415,555 1,559 81.061,560 1.398,561 3.326,562 4.436,563 5.121,564 5.328,565 5.328,566 3.111,567 4.574,568 4.884,569 3.911,570 1701.43,571 8.464,572 25359.5,574 1,577 339.763,578 1.075,579 4.87,580 0.147,581 0.006,582 0.066,583 0.031,584 0.034,585 0.017,586 0.015,587 0.01,588 0.007,589 0.006,590 0.34,591 0.5,592 0.88,593 0.327,594 158.424,595 0.024,596 -0.209,597 0.085,598 -0.07,599 0.037,601 -0.166,602 0.036,603 -0.008,604 0.055,605 0.015,606 0.045,607 -0.064,608 0.068,609 -0.115,610 -0.027,611 -0.015,612 -0.066,613 0.078,614 -0.106,615 -0.065,616 -0.137,617 0.098,618 -0.119,619 -0.07,620 -0.063,621 0.008,622 -0.002,623 -0.105,624 0.007,625 -0.048,626 0.031,627 -0.042,628 0.024,629 -0.114,630 -0.003,631 -0.024,632 -0.023,633 -0.129,634 -0.098,635 -0.17,636 -0.123,637 0.008,638 -0.157,639 -0.003,640 -0.083,641 -0.043,642 -0.053,643 0.797,644 2.624,645 0.833,646 31.484,647 0.989,648 1.124,649 2.247,650 5.049,651 0.666,652 3.555,653 3.871,654 4.159,655 4.431,656 4.635,657 4.654,658 4.727,659 4.844,660 4.868,661 4.905,662 8.154,663 0.623,664 400.57,665 3.555,666 5.094,667 5.948,668 6.821,669 7.687,670 8.562,671 9.431,672 10.308,673 11.178,674 12.055,675 6.9,678 2,683 1,685 1,687 4,688 10,689 1,690 1,693 3,695 21,712 1,714 58,716 21,717 2,718 34,720 62,721 25,722 17,723 6,724 6,730 5,731 7,736 1,745 17,746 8,761 1,764 28,765 4,766 1,767 5,773 4,777 0.6,778 1,786 1,788 1,792 1,793 4,796 1,797 1,815 2,819 3,823 1,827 30,833 7,835 1,838 2,847 1.7,852 1,854 14,855 10.6,856 6.528,857 3.596,858 4.134,859 1.506,860 1.03,861 5.606,862 12.298,863 3.818,864 4.44,865 5.07,866 5.688,867 6.199,868 6.458,869 6.764,870 7.098,871 7.146,872 6.989,873 0.889,874 46,875 11.104,877 4.687,878 7.406,879 22.074,881 18.56,883 1.906,884 57.167,887 1,888 317.82,889 141.005,890 39.82,892 11,895 141.005,896 328.82,897 39.82,898 8.825,899 17.227,900 94.334,901 16.786,902 52.51,903 13.915,904 306.049,906 317.82,907 180.825,908 11,911 317.82,912 11,915 53.987,916 110.053,917 16.786,919 317.82,920 50.82,921 141.005,924 317.82,925 37.847,926 109.407,927 16.786,928 27.785,929 317.82,930 50.82,931 141.005,933 0.578,934 0.34,935 0.19,936 0.102,937 24,938 9,939 0.097,940 6,941 2,942 1.16,943 4.411,944 264.046,945 0.16,946 25,947 141.207,951 19.408,952 8.666,953 4.331,954 4.653,955 34.034,956 20.985,957 4.594,958 3.388,961 3.344,963 16.786,964 509.645,965 44.5,975 57.338,976 65.185,977 0.239,978 0.568,979 0.757,980 0.874,981 0.909,982 0.909,983 5.045,984 1.548,985 5.911,986 5.291,987 4.554,988 5.127,989 1.598,990 6.698,991 4.471,992 6.236,993 1.524,994 7.447,995 3.817,996 4.007,997 4.902,998 0.57,999 7.535,1000 3.887,1001 7.535,1002 1.23,1003 9.083,1004 3.66,1005 6.12,1006 7.383,1007 1.256,1008 10.639,1009 5.964,1010 8.874,1011 1,1012 10.781,1013 2.718,1014 6.431,1015 8.08,1016 0.581,1017 12.348,1018 6.249,1019 10.249,1020 1,1021 12.519,1022 2.275,1023 7.963,1024 9.991,1025 1.023,1026 14.946,1027 7.75,1028 11.652,1029 0.872,1030 14.287,1031 2.235,1032 8.687,1033 11.124,1034 0.515,1035 17.016,1036 8.455,1037 13.076,1038 0.675,1039 16.076,1040 2.026,1041 9.972,1042 12.798,1043 0.84,1044 19.443,1045 9.715,1046 3.06,1047 0.203,1048 17.881,1049 1.707,1050 10.898,1051 14.133,1052 0.441,1053 21.663,1054 10.625,1055 3.054,1056 10.259,1057 19.699,1058 0.494,1059 12.078,1060 15.706,1061 0.689,1062 24.028,1063 11.783,1064 2.648,1065 10.248,1066 21.528,1067 4.458,1068 13.102,1069 17.13,1070 0.373,1071 26.31,1072 12.791,1073 2.349,1074 7.503,1075 23.365,1076 4.458,1077 14.239,1078 18.659,1079 0.564,1080 28.652,1081 13.907,1082 2.26,1083 6.75,1084 25.209,1085 3.17,1086 15.308,1087 20.122,1088 0.314,1089 30.959,1090 14.96,1091 1.923,1092 6.656,1093 27.058,1094 2.924,1095 16.428,1096 21.632,1097 0.461,1098 33.293,1099 16.06,1100 1.87,1101 5.659,1102 28.912,1103 2.634,1104 17.52,1105 23.113,1106 0.264,1107 35.612,1108 17.134,1109 13632,1110 19918,1111 23.75,1112 38.614,1113 50.587,1114 50.648,1115 51.1,1116 50.448,1117 50.435,1118 66.24,1119 5.498,1120 142.593,1121 48.314,1122 5.516,1123 5.196,1124 6.101,1125 5.118,1126 5.06,1127 7.458,1128 1.776,1129 17.097,1130 5.003,1131 7.662,1132 1.488,1133 1.49,1134 1.503,1135 1.484,1136 1.483,1137 1.948,1138 0.162,1139 4.194,1140 1.421,1141 4.131,1142 4.168,1143 4.085,1144 4.046,1145 5.02,1146 4.051,1147 4.066,1148 4.091,1149 4.029,1150 3.991,1151 4.969,1152 3.997,1153 3.835,1154 3.91,1155 3.72,1156 3.634,1157 4.581,1158 3.645,1159 3.549,1160 3.598,1161 3.449,1162 3.429,1163 4.378,1164 3.424,1165 3.461,1166 3.526,1167 3.343,1168 3.314,1169 4.292,1170 3.313,1171 3.373,1172 3.436,1173 3.238,1174 3.203,1175 4.22,1176 3.202,1177 3.15,1178 3.217,1179 3.022,1180 2.991,1181 3.907,1182 2.987,1183 3.111,1184 3.206,1185 2.907,1186 2.941,1187 3.823,1188 2.921,1189 0.133,1190 0.094,1191 0.192,1192 0.119,1193 0.09,1194 4.516,1195 0.131,1196 3.196,1197 0.027,1198 6.521,1199 0.302,1200 4.041,1201 0.088,1202 3.06,1203 4.458,1204 0.916,1205 10.259,1206 3.003,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.347,1212 2.12,1213 1.962,1214 1.935,1215 2.065,1216 2.073,1217 1.222,1218 2.074,1219 1.768,1220 1.699,1221 1.963,1222 1.964,1223 1.19,1224 1.968,1225 1.536,1226 1.491,1227 1.745,1228 1.71,1229 0.966,1230 1.72,1231 1.497,1232 1.438,1233 1.688,1234 1.692,1235 0.825,1236 1.693,1237 1.387,1238 1.317,1239 1.645,1240 1.611,1241 0.804,1242 1.633,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.735,1248 1.429,1249 1.115,1250 1.045,1251 1.424,1252 1.338,1253 0.547,1254 1.358,1255 4.234,1257 5.549,1258 2.398,1259 7.062,1260 4.595,1261 8.669,1262 6.605,1263 10.322,1265 2.019,1271 7.013,1273 6.124,1276 5.047,1280 36.122,1281 81.061,1282 192.918,1283 257.259,1284 297.008,1285 309.008,1286 309.008,1287 34.939,1288 8.164,1289 44.39,1290 44.39,1291 29,1292 12.595,1293 4.459,1294 3.524,1295 42.059,1296 151,1297 124,1298 0.133,1299 218.439,1300 364.69,1301 524.751,1302 50405,1304 20.338,1305 0.678,1306 0.582,1307 20.338,1308 17.473,1309 14.759,1310 0.434,1311 0.316,1312 10.62,1313 14.284,1314 10.356,1315 8.535,1316 14.759,1317 10.75,1318 13.132,1319 0.279,1320 0.172,1321 13.132,1322 8.101,1323 11.322,1324 0.18,1325 0.096,1326 11.322,1327 6.029,1328 9.736,1329 0.117,1330 0.052,1331 9.736,1332 4.333,1333 7.859,1334 0.077,1335 0.03,1336 7.859,1337 3.039,1338 0.219,1339 91.55,1340 0.205,1341 29.116,1342 0.34,1343 162,1344 383.004,1345 173.481,1346 375.612,1347 533.31,1348 358,1349 191,1350 404.469,1351 203.924,1352 412.234,1353 605.59,1354 390,1355 8.5} {0 CHEMBL190298,1 1.446,2 13.567,3 3.478,4 12.093,5 118.626,6 7.045,7 0.618,8 4.146,9 4.275,10 3.688,11 3.677,12 5.144,13 3.653,14 4.711,15 4.905,16 4.031,17 4.077,18 5.642,19 4.033,20 4.946,21 5.167,22 4.049,23 4.225,24 5.811,25 4.136,26 5.024,27 5.272,28 3.934,29 4.217,30 5.817,31 4.081,32 5.016,33 5.291,34 3.783,35 4.115,36 5.743,37 3.965,38 4.881,39 5.148,40 3.732,41 4.027,42 5.634,43 3.891,44 4.821,45 5.08,46 3.656,47 3.989,48 5.58,49 3.845,50 4.766,51 5.04,52 3.547,53 3.91,54 5.476,55 3.75,56 0.041,57 0.874,58 12.604,59 5.04,60 8.147,61 7.055,62 0.247,63 1.438,64 24.198,65 8.077,66 21.293,67 11.691,68 0.369,69 1.702,70 31.437,71 10.898,72 29.284,73 15.718,74 0.319,75 1.728,76 34.586,77 12.845,78 30.978,79 18.521,80 0.368,81 1.639,82 35.528,83 12.317,84 31.903,85 17.949,86 0.346,87 1.483,88 30.686,89 10.439,90 28.359,91 15.43,92 0.313,93 1.434,94 28.511,95 9.891,96 25.978,97 14.545,98 0.235,99 1.319,100 27.131,101 9.81,102 21.39,103 14.477,104 2,105 47,106 0.235,107 0.549,108 0.731,109 0.831,110 0.859,111 0.859,112 3.44,113 0.936,114 -3.31,115 -3.3,116 -3.16,119 42.1,120 1,125 7,140 8,141 2,142 1,144 3,150 1,158 1,169 7,172 8,174 1,176 1,178 7,181 2,182 7,186 2,189 5,192 2,193 5,197 1,199 5,203 4,206 1,211 2,214 1,215 4,222 1,225 2,226 3,237 4,240 1,249 4,259 1462,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.409,266 20.284,267 12.418,268 21.427,269 16.829,270 16.829,271 16.829,272 16.829,273 16.829,274 13.175,275 26.522,276 5.908,277 17.701,278 4.387,279 2.45,280 1.333,281 0.715,282 0.54,283 0.54,284 4.156,288 1,289 1,290 918,291 2.915,294 70.992,295 349.245,298 132.47,299 142.557,302 2.158,303 16.008,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 407,316 4.516,317 3.196,318 6.521,319 4.031,320 3.06,321 4.458,322 0.916,323 10.259,324 2.972,325 4.513,326 3.182,327 6.517,328 4.026,329 3.054,330 4.458,331 0.86,332 10.248,333 2.968,334 3.722,335 2.933,336 5.538,337 3.571,338 2.648,339 3.17,340 0.8,341 7.503,342 2.441,343 3.689,344 2.641,345 5.327,346 3.293,347 2.349,348 2.924,349 0.172,350 6.75,351 2.219,352 3.468,353 2.558,354 5.269,355 3.195,356 2.26,357 2.634,359 6.656,360 2.113,361 3.296,362 2.157,363 4.964,364 2.877,365 1.923,366 2.587,368 5.659,369 1.826,370 3.096,371 2.075,372 4.813,373 2.823,374 1.87,375 2.322,377 5.291,378 1.775,379 3.047,380 1.601,381 4.196,382 2.519,383 1.548,384 2.22,386 3.817,387 1.504,388 2.989,389 1.548,390 4.104,391 2.512,392 1.524,393 2.124,395 3.66,396 1.502,397 2.5,398 1.465,399 3.529,400 2.159,401 1.23,402 1.5,404 2.718,405 1.133,406 2.492,407 1.146,408 3.416,409 1.967,410 1,411 1.489,413 2.275,414 0.965,415 2.159,416 1,417 3.414,418 1.938,419 1,420 1.095,422 2.235,423 0.936,424 2.062,425 0.974,426 3.327,427 1.841,428 0.872,429 1,431 2.026,432 0.841,433 2,434 0.837,435 3.242,436 1.611,437 0.675,438 0.908,440 1.707,441 0.63,442 1.378,443 0.429,444 2.844,445 1.138,446 0.203,447 0.23,449 0.494,450 0.189,451 14.333,452 0.478,453 0.585,454 0.019,455 39,456 1.3,457 18.5,458 0.617,459 20.5,460 0.683,461 24.903,462 0.83,463 31.867,464 0.559,465 26.656,466 0.889,467 7.78,468 0.259,469 6.979,470 0.233,471 0.035,473 0.3,479 0.934,480 1.455,481 0.821,482 1.147,483 0.819,484 0.998,485 1.414,486 1.076,487 0.977,488 0.901,489 0.966,490 0.884,491 1.276,492 0.994,493 1.093,494 1,495 1.054,496 1.02,497 0.907,498 1.071,499 1.029,500 1.143,501 0.877,502 1.112,503 1.204,504 0.934,505 1.013,506 0.972,507 1.116,508 0.981,509 1.129,510 0.964,511 1.029,512 0.958,513 1.128,514 0.981,515 1.068,516 1,517 1.144,518 1.071,519 1.167,520 1.109,521 0.813,522 1.027,523 1.01,524 1.068,525 0.866,526 1.065,527 5,528 0.115,529 3.111,530 1.438,531 1.342,532 0.566,533 0.472,534 0.295,535 0.186,536 0.14,537 15065,538 33344,539 2.207,540 47.4,542 22,544 1,545 1,546 3,550 1.719,551 2.143,552 3.674,553 -0.382,555 1,559 82.444,560 1.446,561 3.383,562 4.5,563 5.118,564 5.293,565 5.293,566 3.111,567 4.574,568 4.884,569 3.911,570 1701.43,571 8.464,572 25359.5,574 1,576 1,577 332.475,578 1.075,579 4.87,580 0.147,581 0.006,582 0.066,583 0.031,584 0.034,585 0.017,586 0.015,587 0.01,588 0.007,589 0.006,590 0.34,591 0.5,592 0.88,593 0.327,594 158.424,595 0.01,596 -0.263,597 0.087,598 -0.096,599 0.052,600 -0.012,601 -0.138,602 0.059,604 0.067,605 0.033,606 0.054,607 -0.08,608 0.058,609 -0.111,610 -0.022,611 -0.01,612 -0.06,613 0.068,614 -0.117,615 -0.054,616 -0.139,617 0.091,618 -0.115,619 -0.06,620 -0.023,621 -0.004,622 0.003,623 -0.111,624 0.003,625 -0.043,626 -0.01,627 -0.03,628 0.012,629 -0.124,630 -0.005,631 -0.074,632 -0.014,633 -0.159,634 -0.101,635 -0.216,636 -0.136,637 0.01,638 -0.093,639 -0.032,640 -0.079,641 -0.062,642 -0.066,643 0.806,644 2.617,645 0.833,646 31.484,647 0.992,648 1.128,649 2.079,650 4.324,651 0.664,652 3.555,653 3.871,654 4.159,655 4.431,656 4.635,657 4.654,658 4.727,659 4.844,660 4.868,661 4.905,662 8.154,663 0.625,664 401.56,665 3.555,666 5.094,667 5.948,668 6.821,669 7.687,670 8.562,671 9.431,672 10.308,673 11.178,674 12.055,675 8.8,678 2,683 1,685 2,687 4,688 9,689 2,690 1,693 3,695 21,712 1,714 57,716 21,717 2,718 34,720 61,721 24,722 16,723 6,724 6,730 5,731 7,736 1,745 16,746 8,761 1,764 27,765 5,766 1,767 6,770 1,773 5,777 0.6,778 1,786 1,792 1,793 4,796 1,797 1,815 2,819 3,823 1,827 30,833 7,835 1,838 2,847 1.8,852 1,854 14,855 10.467,856 6.528,857 3.518,858 4.134,859 1.506,860 1.027,861 5.562,862 12.298,863 3.818,864 4.44,865 5.07,866 5.688,867 6.199,868 6.458,869 6.764,870 7.098,871 7.146,872 6.989,873 0.889,874 46,875 11.094,877 4.684,878 7.439,879 21.945,881 18.368,883 1.939,884 58.167,886 1,887 1,888 306.049,889 130.672,890 56.605,892 11,895 130.672,896 317.049,897 56.605,898 8.825,899 17.227,900 75.81,901 53.961,902 52.081,903 2.144,904 294.278,906 306.049,907 187.277,908 11,911 306.049,912 11,915 64.75,916 88.956,917 33.571,919 306.049,920 67.605,921 130.672,924 306.049,925 37.418,926 99.502,927 16.786,928 44.571,929 306.049,930 67.605,931 130.672,933 0.578,934 0.34,935 0.19,936 0.102,937 24,938 9,939 0.098,940 6,941 2,942 1.16,943 4.411,944 264.046,945 0.16,946 25,947 141.207,951 19.347,952 8.625,953 4.306,954 4.281,955 50.82,956 18.38,957 9.071,958 3.199,961 3.247,963 16.786,964 504.325,965 44.5,975 56.556,976 64.268,977 0.248,978 0.58,979 0.771,980 0.877,981 0.907,982 0.907,983 5.045,984 1.548,985 5.911,986 5.291,987 4.554,988 5.127,989 1.598,990 6.698,991 4.46,992 6.236,993 1.524,994 7.447,995 3.817,996 4.007,997 4.902,998 0.57,999 7.535,1000 3.874,1001 7.535,1002 1.23,1003 9.083,1004 3.66,1005 6.12,1006 7.383,1007 1.256,1008 10.639,1009 5.944,1010 8.874,1011 1,1012 10.781,1013 2.718,1014 6.431,1015 8.08,1016 0.581,1017 12.348,1018 6.223,1019 10.249,1020 1,1021 12.519,1022 2.275,1023 7.963,1024 9.991,1025 1.023,1026 14.946,1027 7.72,1028 11.652,1029 0.872,1030 14.287,1031 2.235,1032 8.687,1033 11.124,1034 0.515,1035 17.016,1036 8.418,1037 13.076,1038 0.675,1039 16.076,1040 2.026,1041 9.972,1042 12.798,1043 0.84,1044 19.443,1045 9.674,1046 3.06,1047 0.203,1048 17.881,1049 1.707,1050 10.898,1051 14.133,1052 0.441,1053 21.663,1054 10.577,1055 3.054,1056 10.259,1057 19.699,1058 0.494,1059 12.078,1060 15.706,1061 0.689,1062 24.028,1063 11.731,1064 2.648,1065 10.248,1066 21.528,1067 4.458,1068 13.102,1069 17.13,1070 0.373,1071 26.31,1072 12.731,1073 2.349,1074 7.503,1075 23.365,1076 4.458,1077 14.239,1078 18.659,1079 0.564,1080 28.652,1081 13.843,1082 2.26,1083 6.75,1084 25.209,1085 3.17,1086 15.308,1087 20.122,1088 0.314,1089 30.959,1090 14.889,1091 1.923,1092 6.656,1093 27.058,1094 2.924,1095 16.428,1096 21.632,1097 0.461,1098 33.293,1099 15.984,1100 1.87,1101 5.659,1102 28.912,1103 2.634,1104 17.52,1105 23.113,1106 0.264,1107 35.612,1108 17.051,1109 13632,1110 20409,1111 23.75,1112 37.858,1113 50.587,1114 50.648,1115 51.1,1116 50.416,1117 50.435,1118 66.24,1119 5.498,1120 142.593,1121 48.026,1122 5.516,1123 5.196,1124 6.101,1125 5.109,1126 5.06,1127 7.458,1128 1.776,1129 17.097,1130 4.972,1131 7.662,1132 1.488,1133 1.49,1134 1.503,1135 1.483,1136 1.483,1137 1.948,1138 0.162,1139 4.194,1140 1.413,1141 4.114,1142 4.157,1143 4.073,1144 4.011,1145 5.079,1146 4.02,1147 4.064,1148 4.09,1149 4.028,1150 3.977,1151 5.012,1152 3.986,1153 3.834,1154 3.91,1155 3.72,1156 3.63,1157 4.581,1158 3.641,1159 3.549,1160 3.598,1161 3.449,1162 3.428,1163 4.401,1164 3.424,1165 3.457,1166 3.526,1167 3.34,1168 3.264,1169 4.313,1170 3.275,1171 3.357,1172 3.424,1173 3.228,1174 3.174,1175 4.221,1176 3.18,1177 3.139,1178 3.206,1179 3.013,1180 2.981,1181 3.922,1182 2.977,1183 3.111,1184 3.206,1185 2.903,1186 2.941,1187 3.846,1188 2.917,1189 0.133,1190 0.094,1191 0.192,1192 0.119,1193 0.09,1194 4.516,1195 0.131,1196 3.196,1197 0.027,1198 6.521,1199 0.302,1200 4.031,1201 0.087,1202 3.06,1203 4.458,1204 0.916,1205 10.259,1206 2.972,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.344,1212 2.12,1213 1.947,1214 1.918,1215 2.055,1216 2.069,1217 1.221,1218 2.068,1219 1.766,1220 1.696,1221 1.957,1222 1.967,1223 1.166,1224 1.968,1225 1.535,1226 1.49,1227 1.745,1228 1.717,1229 0.962,1230 1.721,1231 1.428,1232 1.357,1233 1.676,1234 1.669,1235 0.825,1236 1.665,1237 1.35,1238 1.274,1239 1.551,1240 1.598,1241 0.804,1242 1.607,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.676,1248 1.429,1249 1.113,1250 1.042,1251 1.424,1252 1.32,1253 0.479,1254 1.351,1255 4.234,1257 5.549,1258 2.398,1259 7.062,1260 4.595,1261 8.669,1262 6.605,1263 10.322,1265 2.016,1271 6.857,1273 6.117,1276 4.999,1280 35.617,1281 82.444,1282 192.849,1283 256.501,1284 291.72,1285 301.72,1286 301.72,1287 35.155,1288 8.164,1289 57.28,1290 57.28,1291 29,1292 12.595,1293 4.459,1294 3.524,1295 42.059,1296 151,1297 124,1298 0.133,1299 215.641,1300 358.39,1301 517.924,1302 50405,1304 20.338,1305 0.678,1306 0.578,1307 20.338,1308 17.343,1309 14.759,1310 0.434,1311 0.312,1312 10.464,1313 14.218,1314 10.215,1315 8.414,1316 14.759,1317 10.61,1318 13.132,1319 0.279,1320 0.169,1321 13.132,1322 7.958,1323 11.322,1324 0.18,1325 0.093,1326 11.322,1327 5.888,1328 9.736,1329 0.117,1330 0.051,1331 9.736,1332 4.205,1333 7.859,1334 0.077,1335 0.029,1336 7.859,1337 2.96,1338 0.219,1339 92.004,1340 0.205,1341 29.116,1342 0.34,1343 162,1344 402.649,1345 175.257,1346 392.825,1347 555.69,1348 374,1349 191,1350 420.933,1351 205.784,1352 427.66,1353 628.2,1354 404,1355 9.6} {0 CHEMBL1910139,1 1.526,2 13.2,3 2.434,4 5.926,5 130.511,6 7.191,7 0.286,8 4.323,9 4.44,10 3.892,11 3.879,12 5.276,13 3.856,14 4.906,15 5.091,16 4.211,17 4.277,18 5.791,19 4.228,20 5.15,21 5.366,22 4.302,23 4.406,24 6.021,25 4.33,26 5.238,27 5.467,28 4.254,29 4.39,30 6.2,31 4.303,32 5.269,33 5.519,34 4.205,35 4.403,36 6.164,37 4.303,38 5.237,39 5.48,40 4.19,41 4.427,42 6.058,43 4.308,44 5.258,45 5.519,46 4.141,47 4.399,48 6.169,49 4.27,50 5.163,51 5.42,52 4.009,53 4.341,54 5.935,55 4.196,56 0.004,57 1.083,58 14.531,59 6.528,60 9.267,61 8.648,62 0.345,63 1.796,64 29.164,65 10.606,66 36.376,67 14.488,68 0.358,69 2.167,70 38.288,71 13.839,72 37.334,73 19.288,74 0.47,75 2.273,76 43.568,77 15.073,78 74.853,79 20.56,80 0.663,81 2.229,82 46.052,83 15.183,84 79.635,85 21.245,86 0.425,87 2.171,88 42.946,89 15.433,90 48.162,91 22.125,92 0.666,93 2.186,94 45.199,95 15.337,96 98.538,97 22.371,98 0.436,99 2.016,100 40.388,101 14.87,102 51.088,103 21.185,104 14,105 68,106 0.241,107 0.528,108 0.702,109 0.812,110 0.837,111 0.837,112 3.589,113 0.935,114 -5.31,115 -5.2,116 -4.86,119 42.4,122 6,123 2,124 1,125 7,140 7,142 2,143 1,145 1,156 1,169 17,171 2,172 7,178 15,181 3,182 12,189 5,192 1,193 11,199 1,202 2,203 9,211 4,214 2,215 10,222 7,226 6,233 7,236 2,237 4,244 4,248 1,249 6,256 1,259 2419,260 24.76,261 24.76,262 24.76,263 24.76,264 24.76,265 23.214,266 27.687,267 13.885,268 25.328,269 20.594,270 20.594,271 20.594,272 20.594,273 20.594,274 18.268,275 39.793,276 6.384,277 21.416,278 4.518,279 2.708,280 1.605,281 0.91,282 0.754,283 0.754,284 4.317,289 1,290 1097,291 4.637,293 413.938,295 2037.31,297 827.876,302 1.829,303 34.868,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 75.5,315 462,316 5.422,317 4.532,318 9.044,319 5.414,320 4.415,321 4.445,322 1.94,323 20.168,324 4.413,325 4.36,326 3.786,327 7.989,328 4.253,329 3.264,330 3.862,331 0.86,332 15.02,333 3.231,334 4.294,335 3.288,336 6.498,337 3.961,338 3.018,339 3.64,340 0.8,341 10.161,342 2.844,343 3.986,344 2.996,345 6.453,346 3.732,347 2.789,348 3.272,349 0.8,350 9.747,351 2.622,352 3.571,353 2.827,354 6.303,355 3.426,356 2.5,357 2.628,358 0.555,359 8.458,360 2.313,361 3.334,362 2.586,363 6.303,364 3,365 2.059,366 2.488,368 8.458,369 2,370 3.168,371 2.447,372 5.538,373 3,374 2,375 2.26,377 7.085,378 2,379 3,380 2,381 5.407,382 2.998,383 2,384 2.084,386 6.029,387 1.953,388 3,389 2,390 5.115,391 2.926,392 1.967,393 2,395 5.989,396 1.858,397 2.917,398 1.835,399 4.762,400 2.463,401 1.497,402 2,404 4.064,405 1.438,406 2.841,407 1.784,408 4.618,409 2.443,410 1.451,411 1.92,413 3.357,414 1.432,415 2.522,416 1.684,417 4.618,418 2.188,419 1.211,420 1.525,422 2.844,423 1.181,424 2.5,425 1.295,426 4.056,427 2.028,428 1.068,429 1.5,431 2.712,432 1.021,433 2.262,434 1.182,435 3.995,436 1.967,437 1,438 1.225,440 2.275,441 0.965,442 2,443 1.146,444 3.6,445 1.958,446 1,447 1,449 2.136,450 0.955,451 16.552,452 0.473,453 0.912,454 0.026,455 39.75,456 1.136,457 15,458 0.429,459 24.75,460 0.707,461 36.924,462 1.055,463 38.048,464 0.576,465 28.439,466 0.813,467 6.971,468 0.199,469 10.219,470 0.292,471 0.068,472 0.06,473 0.375,474 1,479 0.648,480 1.264,481 0.748,482 1.124,483 0.481,484 0.983,485 1.032,486 0.992,487 1.002,488 0.927,489 0.739,490 0.942,491 0.853,492 1.052,493 0.976,494 1.08,495 0.76,496 1.045,497 1.241,498 1.166,499 1.081,500 1.112,501 1.401,502 1.078,503 1.202,504 0.848,505 1.046,506 0.863,507 1.194,508 0.913,509 0.737,510 0.947,511 0.997,512 1.057,513 0.653,514 1.068,515 0.746,516 0.82,517 0.972,518 0.921,519 0.834,520 0.968,521 0.71,522 0.889,523 1.027,524 1.026,525 0.694,526 1.072,527 6,528 0.248,529 4.444,530 3.625,531 2.72,532 1.861,533 1.29,534 0.717,535 0.507,536 0.397,537 21780,538 47095,539 2.279,540 47,541 6,542 24,544 1,550 1.768,551 2.143,552 3.621,553 -0.794,559 100.744,560 1.526,561 3.337,562 4.439,563 5.135,564 5.29,565 5.29,566 3.068,567 4.629,568 5.101,569 3.846,570 2288.25,571 8.958,572 35761.6,577 398.93,578 1.576,579 5.061,580 0.143,581 0.008,582 0.079,583 0.063,584 0.051,585 0.036,586 0.025,587 0.015,588 0.012,589 0.011,590 0.443,591 0.33,592 0.75,593 0.686,594 189.352,595 0.002,596 -0.165,597 0.097,598 -0.041,599 0.025,600 0.027,601 -0.093,602 0.093,603 -0.067,604 0.064,605 -0.042,606 0.017,607 0.011,608 -0.063,609 -0.028,610 -0.103,611 -0.002,612 -0.075,613 -0.081,614 -0.157,615 -0.081,616 -0.138,617 -0.09,618 -0.115,619 -0.115,620 0.081,621 -0.041,622 0.086,623 -0.109,624 0.045,625 -0.006,626 -0.088,627 -0.05,628 -0.085,629 -0.025,630 -0.079,631 0.055,632 0.046,634 0.034,635 0.071,636 0.013,637 -0.011,638 -0.019,639 -0.078,640 -0.044,641 -0.027,642 -0.07,643 1.661,644 7.052,645 0.743,646 38.346,647 0.999,648 1.13,649 4.084,650 16.679,651 0.66,652 3.761,653 4.234,654 4.771,655 5.193,656 5.67,657 5.846,658 6.026,659 6.031,660 6.159,661 6.267,662 7.769,663 0.625,664 474.63,665 3.761,666 5.398,667 6.382,668 7.396,669 8.43,670 9.484,671 10.553,672 11.635,673 12.728,674 13.83,675 6.1,678 1,681 1,682 1,685 1,688 8,689 1,693 3,695 12,709 1,712 1,714 66,716 13,717 1,718 42,720 73,721 28,722 11,723 2,724 4,727 1,730 8,731 31,736 1,737 2,739 2,741 6,745 12,746 16,747 6,750 1,755 1,759 1,762 1,764 31,765 7,767 7,773 4,777 0.5,778 2,786 1,791 6,793 19,795 6,806 1,815 1,819 4,823 1,825 1,827 35,833 7,835 1,837 6,838 3,839 2,846 1,847 3,850 1,852 1,854 16.333,855 11.943,856 7.486,857 4.271,858 1.205,859 1.131,860 1.006,861 4.183,862 10.43,863 3.912,864 4.489,865 5.103,866 5.606,867 6.121,868 6.238,869 6.484,870 6.595,871 6.81,872 7.06,873 0.889,874 58,875 13.165,877 6.23,878 7.59,879 26.128,881 25.15,883 2.09,884 73.167,888 364.904,889 122.401,890 26.158,892 36.145,893 14.96,895 122.401,896 401.049,897 41.119,898 10.883,899 24.229,900 66.334,901 58.406,902 34.296,903 17.288,904 353.133,906 364.904,907 148.56,908 51.105,911 379.864,912 36.145,915 36.4,916 95.374,917 16.786,919 379.864,920 62.303,921 122.401,924 364.904,925 36.137,926 95.637,928 67.89,929 364.904,930 77.263,931 122.401,933 0.596,934 0.389,935 0.222,936 0.128,937 43,938 17,939 0.096,940 7,941 8,942 1.462,943 4.794,944 374.411,945 0.615,946 22,947 166.015,951 20.967,952 6.982,953 2.148,955 77.263,956 15.791,957 4.566,961 2.82,964 564.569,965 49,970 14.052,974 0.278,975 65.945,976 74.565,977 0.253,978 0.552,979 0.734,980 0.849,981 0.875,982 0.875,983 5.283,984 2,985 6.45,986 7.085,987 4.92,988 5.176,989 2.406,990 7.552,991 4.859,992 6.498,993 1.967,994 8.183,995 6.029,996 4.844,997 5.047,998 1.803,999 9.216,1000 4.785,1001 7.888,1002 1.497,1003 10.044,1004 5.989,1005 6.86,1006 7.291,1007 3.066,1008 12.605,1009 6.777,1010 9.329,1011 1.451,1012 11.991,1013 4.064,1014 7.758,1015 8.052,1016 3.157,1017 15.209,1018 7.698,1019 10.828,1020 1.211,1021 14,1022 3.357,1023 9.315,1024 9.79,1025 4.153,1026 18.259,1027 9.25,1028 12.369,1029 1.068,1030 16.054,1031 2.844,1032 10.596,1033 10.931,1034 4.543,1035 21.146,1036 10.552,1037 13.943,1038 1,1039 18.14,1040 2.712,1041 12.062,1042 12.498,1043 5.386,1044 24.14,1045 12.021,1046 4.415,1047 1,1048 20.252,1049 2.275,1050 13.474,1051 13.806,1052 5.912,1053 27.105,1054 13.444,1055 3.264,1056 20.168,1057 22.383,1058 2.136,1059 14.935,1060 15.311,1061 6.671,1062 30.096,1063 14.911,1064 3.018,1065 15.02,1066 24.528,1067 4.445,1068 16.391,1069 16.699,1070 7.263,1071 33.083,1072 16.372,1073 2.789,1074 10.161,1075 26.684,1076 3.862,1077 17.862,1078 18.182,1079 7.976,1080 36.079,1081 17.845,1082 2.5,1083 9.747,1084 28.849,1085 3.64,1086 19.333,1087 19.611,1088 8.602,1089 39.075,1090 19.32,1091 2.059,1092 8.458,1093 31.02,1094 3.272,1095 20.81,1096 21.087,1097 9.292,1098 42.073,1099 20.799,1100 2,1101 8.458,1102 33.197,1103 2.628,1104 22.289,1105 22.539,1106 9.936,1107 45.073,1108 22.278,1109 19003,1110 27952,1111 28.838,1112 43.529,1113 66.269,1114 68.46,1115 72.54,1116 65.527,1117 65.456,1118 74.973,1119 9.912,1120 223.332,1121 63.167,1122 6.422,1123 6.532,1124 8.846,1125 6.482,1126 6.415,1127 7.445,1128 3.348,1129 29.626,1130 6.413,1131 13.999,1132 1.578,1133 1.63,1134 1.727,1135 1.56,1136 1.558,1137 1.785,1138 0.236,1139 5.317,1140 1.504,1141 4.391,1142 4.412,1143 4.341,1144 4.346,1145 8.195,1146 4.342,1147 3.971,1148 4.018,1149 3.905,1150 3.856,1151 7.426,1152 3.861,1153 3.876,1154 3.92,1155 3.822,1156 3.751,1157 4.898,1158 3.762,1159 3.741,1160 3.8,1161 3.631,1162 3.574,1163 4.862,1164 3.579,1165 3.481,1166 3.542,1167 3.39,1168 3.288,1169 4.648,1170 3.302,1171 3.257,1172 3.321,1173 3.138,1174 3.047,1175 4.404,1176 3.057,1177 3.249,1178 3.314,1179 3.063,1180 2.969,1181 4.318,1182 2.978,1183 3.111,1184 3.206,1185 2.971,1186 2.941,1187 3.981,1188 2.91,1189 0.129,1190 0.108,1191 0.215,1192 0.129,1193 0.105,1194 5.422,1195 0.106,1196 4.532,1197 0.046,1198 9.044,1199 0.48,1200 5.414,1201 0.105,1202 4.415,1203 4.445,1204 1.94,1205 20.168,1206 4.413,1207 2.377,1208 2.358,1209 2.461,1210 2.436,1211 2.067,1212 2.445,1213 1.912,1214 1.879,1215 2.043,1216 2.069,1217 1.332,1218 2.065,1219 1.832,1220 1.79,1221 1.954,1222 1.983,1223 1.096,1224 1.976,1225 1.715,1226 1.651,1227 1.903,1228 1.891,1229 1.002,1230 1.898,1231 1.439,1232 1.374,1233 1.686,1234 1.657,1235 0.89,1236 1.668,1237 1.198,1238 1.133,1239 1.573,1240 1.512,1241 0.825,1242 1.532,1243 1.186,1244 1.123,1245 1.513,1246 1.448,1247 0.715,1248 1.441,1249 1.153,1250 1.064,1251 1.431,1252 1.376,1253 0.574,1254 1.429,1255 4.443,1257 6.004,1259 7.912,1261 9.988,1263 12.151,1265 1.721,1267 13.743,1271 5.106,1273 5.552,1275 2.893,1276 6.801,1277 -0.157,1280 41.274,1281 100.744,1282 220.217,1283 292.975,1284 338.891,1285 349.156,1286 349.156,1287 62.709,1288 9.224,1289 48.91,1290 48.91,1291 38,1292 14.236,1293 3.807,1294 3,1295 40.423,1296 159,1297 162,1298 0.118,1299 236.085,1300 421.45,1301 567.807,1302 135115,1303 1.5,1304 23.526,1305 0.672,1306 0.572,1307 22.819,1308 20.016,1309 17.19,1310 0.409,1311 0.312,1312 12.892,1313 16.483,1314 12.667,1315 10.198,1316 16.629,1317 13.085,1318 15.946,1319 0.235,1320 0.169,1321 15.846,1322 11.479,1323 16.111,1324 0.138,1325 0.094,1326 15.792,1327 11.049,1328 14.399,1329 0.08,1330 0.052,1331 14.007,1332 9.281,1333 13.162,1334 0.046,1335 0.029,1336 12.752,1337 8.276,1338 0.188,1339 108.072,1340 0.186,1341 32.188,1342 0.319,1343 220,1344 548.163,1345 236.78,1346 496.672,1347 695.37,1348 472,1349 295,1350 514.764,1351 314.354,1352 518.394,1353 795.29,1354 491,1355 6.914} {0 CHEMBL1910140,1 1.484,2 13.2,3 4.776,4 22.805,5 136.232,6 6.676,7 0.308,8 4.357,9 4.489,10 3.84,11 3.864,12 5.313,13 3.826,14 4.984,15 5.185,16 4.219,17 4.32,18 5.854,19 4.257,20 5.315,21 5.54,22 4.368,23 4.553,24 6.162,25 4.451,26 5.494,27 5.753,28 4.299,29 4.553,30 6.424,31 4.426,32 5.46,33 5.739,34 4.231,35 4.494,36 6.343,37 4.37,38 5.338,39 5.59,40 4.21,41 4.498,42 6.156,43 4.363,44 5.408,45 5.688,46 4.168,47 4.495,48 6.288,49 4.343,50 5.325,51 5.6,52 4.039,53 4.447,54 6.072,55 4.277,56 0.03,57 1.123,58 16.959,59 6.974,60 8.136,61 9.793,62 0.377,63 1.893,64 33.564,65 11.704,66 35.929,67 16.965,68 0.409,69 2.47,70 46.765,71 16.764,72 30.23,73 24.326,74 0.711,75 2.722,76 58.289,77 18.824,78 90.994,79 27.151,80 0.879,81 2.505,82 56.913,83 17.384,84 102.327,85 25.613,86 0.482,87 2.313,88 48.251,89 16.561,90 47.401,91 24.795,92 0.761,93 2.387,94 52.77,95 16.909,96 102.161,97 25.983,98 0.509,99 2.234,100 47.869,101 16.92,102 53.016,103 25.096,104 14,105 56,106 0.233,107 0.498,108 0.677,109 0.79,110 0.813,111 0.813,112 3.589,113 0.998,114 -5.31,115 -5.2,116 -4.86,119 38.9,121 6,123 2,124 1,125 7,140 7,142 2,143 1,145 1,156 1,169 14,171 2,172 7,178 15,181 3,182 12,189 8,192 1,193 11,199 1,202 2,203 9,211 4,214 2,215 10,222 7,226 6,233 7,236 2,237 4,244 4,248 1,249 6,256 1,259 2431,260 24.198,261 24.198,262 24.198,263 24.198,264 24.198,265 22.652,266 27.687,267 13.887,268 24.766,269 18.982,270 18.982,271 18.982,272 18.982,273 18.982,274 16.65,275 39.793,276 6.291,277 19.806,278 4.685,279 2.994,280 1.854,281 1.133,282 0.99,283 0.99,284 4.295,289 1,290 1016,291 4.301,295 787.426,302 1.829,303 34.51,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 75.5,315 462,316 4.657,317 4.095,318 7.7,319 4.601,320 3.603,321 3.862,322 1.94,323 14.168,324 3.595,325 4.294,326 3.397,327 7.166,328 4.208,329 3.218,330 3.807,331 0.86,332 12.471,333 3.186,334 4.267,335 3.288,336 6.498,337 3.961,338 3.018,339 3.483,340 0.8,341 10.161,342 2.844,343 3.981,344 2.976,345 6.296,346 3.707,347 2.766,348 3.224,349 0.8,350 9.403,351 2.596,352 3.571,353 2.819,354 5.408,355 3.426,356 2.499,357 2.625,358 0.555,359 7.084,360 2.312,361 3.271,362 2.494,363 5.115,364 2.98,365 2.054,366 2.424,368 6.016,369 1.908,370 3.153,371 2.446,372 4.992,373 2.862,374 1.898,375 2.251,377 5.191,378 1.816,379 2.917,380 1.819,381 4.089,382 2.462,383 1.496,384 2.084,386 3.368,387 1.437,388 2.759,389 1.686,390 4.01,391 2.292,392 1.291,393 1.798,395 2.987,396 1.285,397 2.516,398 1.684,399 4,400 2.174,401 1.19,402 1.515,404 2.842,405 1.167,406 2.5,407 1.295,408 4,409 2,410 1,411 1.5,413 2.472,414 1,415 2.189,416 1.182,417 3.6,418 2,419 1,420 1.081,422 2.472,423 1,424 2,425 1.146,426 3.501,427 1.967,428 1,429 1,431 2.335,432 0.965,433 2,434 1,435 3.436,436 1.959,437 1,438 1,440 2.275,441 0.956,442 2,443 1,444 3.414,445 1.923,446 0.94,447 1,449 2.136,450 0.917,451 16.552,452 0.473,453 0.765,454 0.022,455 38.25,456 1.093,457 15,458 0.429,459 23.25,460 0.664,461 39.882,462 1.139,463 39.848,464 0.553,465 29.261,466 0.836,467 6.971,468 0.199,469 10.108,470 0.289,471 0.068,472 0.06,473 0.193,474 1,479 0.676,480 1.404,481 0.854,482 1.27,483 0.509,484 1.12,485 1.011,486 1.024,487 0.991,488 0.955,489 0.732,490 0.957,491 0.781,492 1.114,493 1.02,494 1.177,495 0.673,496 1.137,497 1.339,498 1.149,499 1.121,500 1.085,501 1.557,502 1.073,503 1.375,504 0.83,505 1.032,506 0.781,507 1.481,508 0.838,509 0.752,510 0.992,511 1.029,512 1.097,513 0.66,514 1.103,515 0.756,516 0.828,517 0.984,518 0.925,519 0.806,520 0.972,521 0.686,522 0.906,523 1.023,524 1.04,525 0.656,526 1.077,527 7.5,528 0.31,529 5.111,530 2.313,531 1.96,532 1.403,533 0.869,534 0.493,535 0.298,536 0.333,537 18939,538 42760,539 2.126,540 51.4,541 12,542 24,544 1,550 1.768,551 2.019,552 3.618,553 -0.794,559 106.879,560 1.484,561 3.176,562 4.316,563 5.037,564 5.18,565 5.18,566 3.068,567 4.629,568 5.101,569 3.843,570 2286.59,571 8.961,572 35827.7,577 444.235,578 1.402,579 5.064,580 0.192,581 0.009,582 0.091,583 0.038,584 0.037,585 0.027,586 0.017,587 0.01,588 0.007,589 0.01,590 0.439,591 0.33,592 0.75,593 0.686,594 189.406,595 0.012,596 -0.223,597 0.079,598 -0.094,599 0.019,600 -0.016,601 -0.064,602 0.095,603 -0.008,604 0.09,605 -0.033,606 0.058,607 0.022,608 -0.098,609 -0.061,610 -0.147,611 0.026,612 -0.121,613 -0.1,614 -0.116,615 -0.101,616 -0.113,617 -0.094,618 -0.108,619 -0.131,620 0.135,621 -0.005,622 0.147,623 -0.134,624 0.102,625 -0.015,626 -0.095,627 -0.079,628 -0.107,629 -0.031,630 -0.106,631 0.04,632 0.049,633 -0.02,634 0.021,635 0.059,636 -0.002,637 -0.009,638 -0.024,639 -0.081,640 -0.055,641 -0.029,642 -0.077,643 1.748,644 7.001,645 0.743,646 38.356,647 0.994,648 1.136,649 4.084,650 16.679,651 0.636,652 3.689,653 4.043,654 4.369,655 4.595,656 4.898,657 4.956,658 5.011,659 5.024,660 5.118,661 5.204,662 7.772,663 0.595,664 480.69,665 3.689,666 5.252,667 6.129,668 7.026,669 7.92,670 8.824,671 9.726,672 10.634,673 11.541,674 12.452,675 5.6,678 1,681 1,682 1,685 1,688 8,689 1,693 3,695 12,709 1,712 1,714 72,716 13,717 1,718 39,720 76,721 28,722 11,723 2,724 4,727 1,730 5,731 6,736 1,737 2,739 2,740 6,743 6,745 12,746 16,750 1,755 1,759 1,762 1,764 37,765 7,767 7,773 4,777 0.8,778 2,786 1,793 6,806 1,815 1,819 4,823 1,825 1,827 35,833 13,835 1,838 3,839 2,846 1,847 2.8,850 1,852 1,854 17.333,855 12.943,856 7.819,857 4.605,858 1.491,859 1.188,860 0.956,861 7.316,862 9.419,863 3.85,864 4.344,865 4.832,866 5.236,867 5.671,868 5.669,869 5.85,870 5.956,871 6.098,872 6.276,873 0.889,874 61,875 13.131,877 5.712,878 7.619,879 25.83,881 22.384,883 2.119,884 74.167,888 435.531,889 137.608,890 26.158,892 36.145,893 14.96,895 137.608,896 471.676,897 41.119,898 10.883,899 39.436,900 66.334,901 58.406,902 34.296,903 17.288,904 423.76,906 435.531,907 163.767,908 51.105,911 450.491,912 36.145,915 51.607,916 95.374,917 16.786,919 450.491,920 62.303,921 137.608,924 435.531,925 51.344,926 95.637,928 67.89,929 435.531,930 77.263,931 137.608,933 0.583,934 0.363,935 0.189,936 0.105,937 28,938 11,939 0.092,940 7,941 3,942 1.154,943 4.522,944 342.084,945 0.231,946 24,947 166.015,951 24.522,952 10.442,953 4.926,955 77.263,956 15.694,957 4.542,961 2.773,964 650.403,965 46,970 14.001,974 0.191,975 71.596,976 81.81,977 0.241,978 0.515,979 0.7,980 0.816,981 0.84,982 0.84,983 5.136,984 1.496,985 6.155,986 5.191,987 4.727,988 5.03,989 2.406,990 7.062,991 4.653,992 6.314,993 1.291,994 7.785,995 3.368,996 4.511,997 4.783,998 1.803,999 8.515,1000 4.427,1001 7.637,1002 1.19,1003 9.538,1004 2.987,1005 6.482,1006 7.062,1007 3.066,1008 11.547,1009 6.359,1010 8.996,1011 1,1012 11.368,1013 2.842,1014 7.14,1015 7.63,1016 3.157,1017 13.801,1018 7.025,1019 10.394,1020 1,1021 13.251,1022 2.472,1023 8.6,1024 9.407,1025 4.153,1026 16.489,1027 8.463,1028 11.817,1029 1,1030 15.168,1031 2.472,1032 9.604,1033 10.326,1034 4.543,1035 18.986,1036 9.481,1037 13.257,1038 1,1039 17.109,1040 2.335,1041 10.902,1042 11.9,1043 5.386,1044 21.609,1045 10.77,1046 3.603,1047 0.94,1048 19.067,1049 2.275,1050 12.047,1051 12.992,1052 5.912,1053 24.184,1054 11.926,1055 3.218,1056 14.168,1057 21.038,1058 2.136,1059 13.298,1060 14.467,1061 6.671,1062 26.801,1063 13.177,1064 3.018,1065 12.471,1066 23.019,1067 3.862,1068 14.502,1069 15.653,1070 7.263,1071 29.408,1072 14.39,1073 2.766,1074 10.161,1075 25.008,1076 3.807,1077 15.745,1078 17.074,1079 7.976,1080 32.03,1081 15.636,1082 2.499,1083 9.403,1084 27.002,1085 3.483,1086 16.977,1087 18.317,1088 8.602,1089 34.651,1090 16.874,1091 2.054,1092 7.084,1093 29.003,1094 3.224,1095 18.224,1096 19.705,1097 9.292,1098 37.28,1099 18.126,1100 1.898,1101 6.016,1102 31.007,1103 2.625,1104 19.471,1105 20.983,1106 9.936,1107 39.91,1108 19.377,1109 17644,1110 26593,1111 26.405,1112 45.813,1113 58.884,1114 60.55,1115 61.963,1116 58.346,1117 58.385,1118 67.932,1119 9.912,1120 174.871,1121 56.06,1122 5.657,1123 6.095,1124 7.501,1125 5.669,1126 5.603,1127 6.862,1128 3.348,1129 22.218,1130 5.595,1131 13.999,1132 1.51,1133 1.553,1134 1.589,1135 1.496,1136 1.497,1137 1.742,1138 0.254,1139 4.484,1140 1.437,1141 4.063,1142 4.106,1143 3.979,1144 3.962,1145 8.195,1146 3.958,1147 3.956,1148 4,1149 3.888,1150 3.849,1151 7.426,1152 3.853,1153 3.865,1154 3.911,1155 3.798,1156 3.743,1157 4.897,1158 3.751,1159 3.741,1160 3.8,1161 3.631,1162 3.573,1163 4.862,1164 3.578,1165 3.504,1166 3.558,1167 3.419,1168 3.323,1169 4.406,1170 3.337,1171 3.325,1172 3.392,1173 3.186,1174 3.149,1175 4.354,1176 3.145,1177 3.249,1178 3.315,1179 3.063,1180 2.969,1181 4.309,1182 2.979,1183 3.111,1184 3.206,1185 2.946,1186 2.941,1187 3.98,1188 2.91,1189 0.119,1190 0.105,1191 0.197,1192 0.118,1193 0.092,1194 4.657,1195 0.099,1196 4.095,1197 0.05,1198 7.7,1199 0.363,1200 4.601,1201 0.092,1202 3.603,1203 3.862,1204 1.94,1205 14.168,1206 3.595,1207 2.024,1208 1.986,1209 2.187,1210 2.143,1211 1.636,1212 2.158,1213 1.912,1214 1.879,1215 2.043,1216 2.066,1217 1.332,1218 2.064,1219 1.829,1220 1.786,1221 1.954,1222 1.978,1223 1.098,1224 1.973,1225 1.715,1226 1.651,1227 1.903,1228 1.891,1229 1.006,1230 1.898,1231 1.457,1232 1.401,1233 1.69,1234 1.669,1235 0.892,1236 1.676,1237 1.298,1238 1.237,1239 1.573,1240 1.518,1241 0.889,1242 1.533,1243 1.197,1244 1.124,1245 1.536,1246 1.51,1247 0.825,1248 1.523,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.825,1254 1.429,1255 4.369,1257 5.714,1259 7.294,1261 8.97,1263 10.694,1265 1.716,1267 13.692,1271 9.807,1273 5.547,1276 6.722,1277 -0.518,1280 42.854,1281 106.879,1282 228.682,1283 310.77,1284 362.686,1285 372.95,1286 372.95,1287 74.83,1288 7.927,1289 48.91,1290 48.91,1291 30,1292 12.967,1293 3.807,1294 3,1295 52.213,1296 159,1297 162,1298 0.153,1299 258.265,1300 458.53,1301 621.927,1302 30349,1303 1.4,1304 24.305,1305 0.694,1306 0.594,1307 23.598,1308 20.795,1309 17.079,1310 0.438,1311 0.333,1312 12.781,1313 16.372,1314 12.493,1315 10.231,1316 16.519,1317 12.975,1318 15.041,1319 0.269,1320 0.189,1321 14.998,1322 10.559,1323 13.971,1324 0.179,1325 0.112,1326 13.44,1327 8.748,1328 11.113,1329 0.113,1330 0.064,1331 10.693,1332 6.249,1333 9.37,1334 0.07,1335 0.039,1336 9.323,1337 5.166,1338 0.242,1339 107.407,1340 0.195,1341 32.216,1342 0.414,1343 190,1344 518.163,1345 206.78,1346 467.235,1347 633.87,1348 442,1349 229,1350 448.764,1351 248.354,1352 452.968,1353 668.63,1354 425,1355 6.442} {0 CHEMBL1910141,1 1.501,2 12.647,3 4.319,4 18.656,5 131.631,6 6.763,7 0.316,8 4.32,9 4.45,10 3.814,11 3.826,12 5.287,13 3.792,14 4.944,15 5.144,16 4.199,17 4.284,18 5.827,19 4.226,20 5.252,21 5.477,22 4.298,23 4.476,24 6.118,25 4.374,26 5.409,27 5.67,28 4.262,29 4.457,30 6.362,31 4.348,32 5.342,33 5.602,34 4.204,35 4.437,36 6.25,37 4.324,38 5.331,39 5.585,40 4.207,41 4.47,42 6.261,43 4.337,44 5.347,45 5.626,46 4.113,47 4.454,48 6.127,49 4.302,50 5.295,51 5.571,52 4.011,53 4.389,54 6.124,55 4.225,56 0.022,57 1.084,58 16.067,59 6.637,60 8.127,61 9.27,62 0.37,63 1.831,64 32.041,65 11.128,66 36.339,67 16.044,68 0.387,69 2.319,70 43.817,71 15.488,72 29.62,73 22.464,74 0.707,75 2.511,76 53.939,77 16.911,78 96.866,79 24.31,80 0.728,81 2.294,82 50.017,83 15.743,84 82.265,85 23.013,86 0.755,87 2.295,88 48.608,89 16.027,90 92.832,91 24.044,92 0.458,93 2.295,94 49.177,95 16.513,96 57.69,97 24.979,98 0.627,99 2.231,100 47.183,101 16.183,102 72.866,103 23.748,104 14,105 55,106 0.237,107 0.51,108 0.695,109 0.822,110 0.845,111 0.845,112 3.561,113 0.985,114 -5.12,115 -5.01,116 -4.69,119 39.1,121 5,123 2,124 1,125 7,140 7,142 2,143 1,145 1,156 1,169 13,171 2,172 7,178 14,181 3,182 12,189 3,192 1,193 11,199 1,202 2,203 7,211 4,214 2,215 10,222 7,226 5,233 6,236 2,237 3,244 3,248 1,249 6,259 2196,260 23.49,261 23.49,262 23.49,263 23.49,264 23.49,265 21.945,266 27.687,267 13.501,268 24.059,269 18.525,270 18.525,271 18.525,272 18.525,273 18.525,274 16.193,275 39.793,276 6.14,277 19.349,278 4.607,279 2.886,280 1.712,281 0.913,282 0.765,283 0.765,284 4.266,289 1,290 948,291 4.301,294 206.104,295 508.495,302 1.747,303 34.298,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 73.5,315 430,316 4.736,317 4.119,318 7.787,319 4.694,320 3.696,321 3.862,322 1.94,323 14.649,324 3.688,325 4.294,326 3.414,327 7.08,328 4.088,329 3.108,330 3.851,331 0.86,332 12.041,333 3.053,334 4.211,335 3.288,336 6.498,337 3.961,338 3.018,339 3.519,340 0.8,341 10.161,342 2.844,343 3.908,344 2.921,345 6.277,346 3.664,347 2.715,348 3.114,349 0.8,350 9.334,351 2.565,352 3.57,353 2.807,354 5.408,355 3.425,356 2.499,357 2.623,358 0.555,359 7.084,360 2.312,361 3.25,362 2.454,363 5.115,364 2.978,365 2.054,366 2.391,368 6.016,369 1.904,370 3.145,371 2.438,372 4.978,373 2.848,374 1.885,375 2.247,377 5.155,378 1.804,379 2.917,380 1.819,381 4.082,382 2.462,383 1.496,384 2.084,386 3.367,387 1.437,388 2.742,389 1.684,390 4.008,391 2.281,392 1.282,393 1.772,395 2.968,396 1.274,397 2.515,398 1.651,399 4,400 2.172,401 1.187,402 1.513,404 2.842,405 1.166,406 2.5,407 1.295,408 4,409 2,410 1,411 1.5,413 2.472,414 1,415 2.185,416 1.182,417 3.6,418 1.967,419 1,420 1.075,422 2.328,423 0.965,424 2,425 1.146,426 3.5,427 1.959,428 1,429 1,431 2.275,432 0.956,433 2,434 1,435 3.414,436 1.922,437 0.939,438 1,440 2.136,441 0.916,442 1.667,443 1,444 3.408,445 1.611,446 0.638,447 0.649,449 1.625,450 0.612,451 16.052,452 0.472,453 0.765,454 0.022,455 37.75,456 1.11,457 15,458 0.441,459 22.75,460 0.669,461 37.352,462 1.099,463 38.548,464 0.559,465 28.854,466 0.849,467 6.971,468 0.205,469 9.608,470 0.283,471 0.07,472 0.062,473 0.199,474 1,479 0.675,480 1.4,481 0.838,482 1.262,483 0.509,484 1.107,485 1.015,486 1.01,487 0.979,488 0.934,489 0.734,490 0.936,491 0.802,492 1.142,493 1.048,494 1.211,495 0.694,496 1.17,497 1.4,498 1.103,499 1.068,500 0.992,501 1.645,502 0.979,503 1.267,504 0.884,505 1.064,506 0.879,507 1.289,508 0.926,509 0.772,510 0.908,511 1.04,512 1.032,513 0.716,514 1.07,515 0.727,516 0.928,517 0.964,518 0.991,519 0.754,520 1.006,521 0.838,522 0.921,523 1.053,524 1.016,525 0.879,526 1.061,527 7.5,528 0.244,529 4.667,530 2.632,531 1.936,532 1.188,533 0.919,534 0.427,535 0.284,536 0.309,537 17498,538 40041,539 2.13,540 50.7,541 10,542 24,544 1,550 1.761,551 2.02,552 3.563,553 -0.788,559 103.581,560 1.501,561 3.222,562 4.396,563 5.195,564 5.344,565 5.344,566 3.025,567 4.558,568 5.06,569 3.792,570 2127.54,571 8.879,572 32692.6,577 421.488,578 1.425,579 5.021,580 0.197,581 0.008,582 0.085,583 0.047,584 0.037,585 0.023,586 0.018,587 0.009,588 0.007,589 0.01,590 0.442,591 0.33,592 0.75,593 0.699,594 182.21,595 0.009,596 -0.229,597 0.079,598 -0.098,599 0.016,600 -0.017,601 -0.07,602 0.106,603 -0.004,604 0.104,605 -0.036,606 0.07,607 0.015,608 -0.132,609 -0.092,610 -0.193,611 0.02,612 -0.165,613 -0.106,614 -0.068,615 -0.036,616 -0.033,617 -0.113,618 -0.024,619 -0.122,620 0.076,621 -0.053,622 0.073,623 -0.106,624 0.03,625 0.075,626 -0.001,627 -0.075,628 -0.06,629 0.085,630 -0.089,631 -0.04,632 -0.057,633 -0.017,634 -0.026,635 -0.045,636 -0.018,637 0.004,638 0.03,639 -0.087,640 -0.038,641 -0.014,642 -0.073,643 1.803,644 6.887,645 0.735,646 35.682,647 0.996,648 1.136,649 3.887,650 15.11,651 0.638,652 3.664,653 4.025,654 4.357,655 4.625,656 4.86,657 4.875,658 4.913,659 4.997,660 5.075,661 5.165,662 7.58,663 0.599,664 466.66,665 3.664,666 5.231,667 6.111,668 7.018,669 7.919,670 8.834,671 9.745,672 10.665,673 11.582,674 12.507,675 5.8,678 1,681 1,682 1,685 1,688 8,689 1,693 3,695 12,709 1,712 1,714 69,716 13,717 1,718 38,720 73,721 27,722 11,723 2,724 4,727 1,730 5,731 6,736 1,737 2,739 2,740 5,743 5,745 12,746 15,750 1,755 1,759 1,762 1,764 35,765 7,767 7,773 4,777 0.8,778 2,786 1,792 2,793 4,806 1,815 1,819 4,823 1,825 1,827 34,833 12,835 1,838 3,839 2,846 1,847 2.9,850 1,852 1,854 16.833,855 12.443,856 7.569,857 4.355,858 1.521,859 1.194,860 0.959,861 6.814,862 9.372,863 3.829,864 4.331,865 4.824,866 5.252,867 5.66,868 5.63,869 5.8,870 5.958,871 6.092,872 6.269,873 1,874 56,875 12.755,877 5.577,878 7.637,879 25.014,881 21.718,883 2.137,884 72.667,888 411.989,889 135.074,890 26.158,892 36.145,893 14.96,895 135.074,896 448.133,897 41.119,898 10.883,899 36.901,900 66.334,901 58.406,902 34.296,903 17.288,904 400.217,906 411.989,907 161.232,908 51.105,911 426.949,912 36.145,915 49.073,916 95.374,917 16.786,919 426.949,920 62.303,921 135.074,924 411.989,925 48.81,926 95.637,928 67.89,929 411.989,930 77.263,931 135.074,933 0.583,934 0.363,935 0.196,936 0.106,937 28,938 11,939 0.096,940 7,941 2,942 1.12,943 4.453,944 329.75,945 0.16,946 24,947 164.974,951 23.567,952 9.83,953 4.582,955 77.263,956 15.617,957 4.513,961 2.742,964 624.326,965 45,970 13.887,974 0.145,975 68.712,976 78.395,977 0.246,978 0.528,979 0.72,980 0.85,981 0.875,982 0.875,983 5.118,984 1.496,985 6.142,986 5.155,987 4.71,988 5.017,989 2.406,990 7.062,991 4.633,992 6.302,993 1.282,994 7.777,995 3.367,996 4.511,997 4.783,998 1.803,999 8.515,1000 4.427,1001 7.628,1002 1.187,1003 9.534,1004 2.968,1005 6.472,1006 7.057,1007 3.066,1008 11.577,1009 6.349,1010 8.992,1011 1,1012 11.369,1013 2.842,1014 7.155,1015 7.64,1016 3.157,1017 13.845,1018 7.043,1019 10.397,1020 1,1021 13.256,1022 2.472,1023 8.613,1024 9.413,1025 4.153,1026 16.565,1027 8.479,1028 11.827,1029 1,1030 15.178,1031 2.328,1032 9.647,1033 10.347,1034 4.543,1035 19.088,1036 9.529,1037 13.276,1038 0.939,1039 17.126,1040 2.275,1041 10.955,1042 11.921,1043 5.386,1044 21.746,1045 10.831,1046 3.696,1047 0.638,1048 19.091,1049 2.136,1050 12.131,1051 13.026,1052 5.912,1053 24.357,1054 12.02,1055 3.108,1056 14.649,1057 21.07,1058 1.625,1059 13.403,1060 14.503,1061 6.671,1062 27.012,1063 13.295,1064 3.018,1065 12.041,1066 23.059,1067 3.862,1068 14.639,1069 15.702,1070 7.263,1071 29.658,1072 14.541,1073 2.715,1074 10.161,1075 25.057,1076 3.851,1077 15.911,1078 17.125,1079 7.976,1080 32.32,1081 15.817,1082 2.499,1083 9.334,1084 27.062,1085 3.519,1086 17.175,1087 18.379,1088 8.602,1089 34.982,1090 17.09,1091 2.054,1092 7.084,1093 29.073,1094 3.114,1095 18.454,1096 19.77,1097 9.292,1098 37.651,1099 18.373,1100 1.885,1101 6.016,1102 31.089,1103 2.623,1104 19.733,1105 21.058,1106 9.936,1107 40.322,1108 19.659,1109 16291,1110 24727,1111 25.712,1112 44.052,1113 57.494,1114 59.288,1115 60.736,1116 57.071,1117 57.118,1118 66.664,1119 9.912,1120 172.455,1121 54.798,1122 5.736,1123 6.119,1124 7.589,1125 5.761,1126 5.696,1127 6.862,1128 3.348,1129 22.893,1130 5.688,1131 13.678,1132 1.513,1133 1.56,1134 1.598,1135 1.502,1136 1.503,1137 1.754,1138 0.261,1139 4.538,1140 1.442,1141 4.079,1142 4.119,1143 3.999,1144 3.983,1145 8.195,1146 3.979,1147 3.959,1148 4.003,1149 3.892,1150 3.851,1151 7.426,1152 3.855,1153 3.864,1154 3.91,1155 3.8,1156 3.743,1157 4.897,1158 3.751,1159 3.741,1160 3.8,1161 3.631,1162 3.573,1163 4.862,1164 3.578,1165 3.479,1166 3.54,1167 3.382,1168 3.286,1169 4.406,1170 3.298,1171 3.265,1172 3.33,1173 3.138,1174 3.064,1175 4.362,1176 3.07,1177 3.249,1178 3.314,1179 3.063,1180 2.969,1181 4.311,1182 2.978,1183 3.111,1184 3.206,1185 2.936,1186 2.941,1187 3.978,1188 2.91,1189 0.125,1190 0.108,1191 0.205,1192 0.124,1193 0.097,1194 4.736,1195 0.102,1196 4.119,1197 0.051,1198 7.787,1199 0.386,1200 4.694,1201 0.097,1202 3.696,1203 3.862,1204 1.94,1205 14.649,1206 3.688,1207 1.913,1208 1.88,1209 2.045,1210 2.072,1211 1.42,1212 2.067,1213 1.857,1214 1.817,1215 2.004,1216 2.009,1217 1.333,1218 2.002,1219 1.784,1220 1.738,1221 1.952,1222 1.92,1223 1.247,1224 1.94,1225 1.716,1226 1.653,1227 1.903,1228 1.891,1229 1.084,1230 1.898,1231 1.636,1232 1.597,1233 1.808,1234 1.785,1235 0.994,1236 1.792,1237 1.396,1238 1.32,1239 1.669,1240 1.609,1241 0.89,1242 1.633,1243 1.197,1244 1.124,1245 1.573,1246 1.512,1247 0.825,1248 1.532,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.825,1254 1.429,1255 4.344,1257 5.694,1258 3.045,1259 7.263,1260 5.533,1261 8.923,1262 7.758,1263 10.631,1265 1.712,1267 13.775,1271 8.748,1273 5.537,1276 6.664,1277 -0.674,1280 41.327,1281 103.581,1282 222.335,1283 303.333,1284 358.469,1285 368.733,1286 368.733,1287 71.895,1288 7.851,1289 48.91,1290 48.91,1291 28,1292 13.014,1293 3.807,1294 3,1295 50.008,1296 152,1297 152,1298 0.155,1299 248.673,1300 441.23,1301 598.522,1302 27511,1303 1.4,1304 23.598,1305 0.694,1306 0.591,1307 22.891,1308 20.087,1309 16.579,1310 0.436,1311 0.328,1312 12.281,1313 15.872,1314 12,1315 9.826,1316 16.019,1317 12.475,1318 14.718,1319 0.268,1320 0.186,1321 14.675,1322 10.236,1323 13.544,1324 0.176,1325 0.108,1326 12.993,1327 8.327,1328 11.081,1329 0.11,1330 0.062,1331 10.779,1332 6.265,1333 9.05,1334 0.071,1335 0.036,1336 8.869,1337 4.641,1338 0.245,1339 104.407,1340 0.197,1341 31.423,1342 0.419,1343 186,1344 514.163,1345 202.78,1346 463.248,1347 628.19,1348 438,1349 225,1350 444.764,1351 244.354,1352 449.282,1353 663.83,1354 421,1355 7.036} {0 CHEMBL1910792,1 1.68,2 14.579,3 5.028,4 25.284,5 150.817,6 8.276,7 0.429,8 4.311,9 4.426,10 3.971,11 3.849,12 5.405,13 3.834,14 4.868,15 5.046,16 4.377,17 4.259,18 5.922,19 4.232,20 5.118,21 5.291,22 4.587,23 4.487,24 6.229,25 4.427,26 5.248,27 5.45,28 4.438,29 4.518,30 6.289,31 4.427,32 5.298,33 5.534,34 4.426,35 4.499,36 6.307,37 4.407,38 5.203,39 5.405,40 4.441,41 4.453,42 6.301,43 4.364,44 5.182,45 5.405,46 4.427,47 4.365,48 6.377,49 4.267,50 5.071,51 5.307,52 4.282,53 4.223,54 6.179,55 4.133,56 0.066,57 0.987,58 11.965,59 5.771,60 8.285,61 7.374,62 0.454,63 1.612,64 26.592,65 9.38,66 28.566,67 12.326,68 0.638,69 1.983,70 40.188,71 13.234,72 50.121,73 16.88,74 0.566,75 2.141,76 43.741,77 16.155,78 64.516,79 21.15,80 0.786,81 2.183,82 48.357,83 16.775,84 72.086,85 22.573,86 0.694,87 1.988,88 42.691,89 15.31,90 64.266,91 19.795,92 0.937,93 1.862,94 47.548,95 14.827,96 121.054,97 19.527,98 0.762,99 1.618,100 44.925,101 13.272,102 88.159,103 17.225,104 51,105 61,106 0.264,107 0.561,108 0.744,109 0.853,110 0.869,111 0.869,112 3.668,113 0.933,114 -3.66,115 -3.63,116 -3.45,119 41.8,124 3,125 5,140 9,141 1,142 8,156 2,169 5,171 1,172 7,174 1,176 3,178 6,181 4,182 10,186 3,189 7,193 8,195 1,197 1,199 5,202 1,203 9,206 2,211 10,214 3,215 5,218 1,222 9,225 2,226 8,229 2,233 5,237 10,242 2,244 3,248 2,249 6,254 1,256 1,259 2752,260 25.403,261 25.403,262 25.403,263 25.403,264 25.403,265 23.002,266 39.104,267 14.459,268 26.234,269 20.587,270 20.587,271 20.587,272 20.587,273 20.587,274 16.727,275 59.133,276 6.76,277 21.949,278 4.386,279 2.498,280 1.337,281 0.642,282 0.541,283 0.541,284 4.369,285 2,289 1,290 1205,291 3.464,295 581.952,299 178.998,302 2.127,303 38.992,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 82.167,315 554,316 4.528,317 3.818,318 6.869,319 4.221,320 3.267,321 4.109,322 1.989,323 11.437,324 3.118,325 4.354,326 3.573,327 6.521,328 4.006,329 3.057,330 3.962,331 1.058,332 10.269,333 2.903,334 4.222,335 3.341,336 6.202,337 3.807,338 2.859,339 3.862,340 0.86,341 9.113,342 2.75,343 4.036,344 3.299,345 6.02,346 3.693,347 2.736,348 3.39,349 0.835,350 8.529,351 2.562,352 3.704,353 3.116,354 5.857,355 3.403,356 2.473,357 2.947,358 0.8,359 7.828,360 2.317,361 3.641,362 2.78,363 5.489,364 3.375,365 2.463,366 2.921,367 0.8,368 6.964,369 2.228,370 3.508,371 2.697,372 5.344,373 3.211,374 2.254,375 2.744,376 0.543,377 6.658,378 2.088,379 3.408,380 2.41,381 5.2,382 3.056,383 2.077,384 2.53,386 6.352,387 1.982,388 3.101,389 2.393,390 4.923,391 2.871,392 1.96,393 2.181,395 5.603,396 1.78,397 2.953,398 2.152,399 4.756,400 2.576,401 1.614,402 2.079,404 4.815,405 1.521,406 2.82,407 1.974,408 4.101,409 2.307,410 1.414,411 1.948,413 3.523,414 1.287,415 2.788,416 1.838,417 4.046,418 2.295,419 1.287,420 1.815,422 3.42,423 1.197,424 2.468,425 1.335,426 3.966,427 2.109,428 1.136,429 1.459,431 3.038,432 1.103,433 2.3,434 1.282,435 3.787,436 1.967,437 1,438 1.238,440 2.539,441 0.965,442 2,443 1.146,444 3.414,445 1.924,446 0.953,447 1,449 2.275,450 0.917,451 18.429,452 0.485,453 1.1,454 0.029,455 49.5,456 1.303,457 23.5,458 0.618,459 26,460 0.684,461 36.473,462 0.96,463 40.971,464 0.612,465 43.576,466 1.147,467 9.931,468 0.261,469 8.313,470 0.219,471 0.195,473 0.385,479 0.729,480 1.53,481 0.593,482 1.046,483 0.54,484 0.938,485 0.979,486 1.044,487 0.665,488 0.696,489 0.565,490 0.717,491 0.968,492 1.05,493 0.856,494 0.95,495 0.874,496 0.981,497 0.923,498 1.154,499 0.857,500 1.114,501 1.011,502 1.108,503 0.864,504 0.874,505 0.664,506 0.836,507 0.915,508 0.865,509 1.024,510 1.084,511 0.872,512 1.022,513 1.142,514 1.045,515 0.919,516 0.986,517 0.93,518 0.975,519 1.106,520 0.972,521 1.21,522 0.87,523 0.914,524 0.831,525 1.317,526 0.819,527 8.5,528 0.297,529 5.556,530 2.75,531 2.978,532 1.681,533 1.294,534 1.014,535 0.46,536 0.325,537 23158,538 67121,539 2.066,540 43.3,542 28,545 1,550 1.787,551 1.9,552 3.802,553 -0.348,559 112.576,560 1.68,561 3.568,562 4.73,563 5.424,564 5.525,565 5.525,566 3.249,567 4.827,568 5.22,569 3.966,570 2787.76,571 9.193,572 46183.3,577 406.428,578 1.504,579 5.162,580 0.202,581 0.008,582 0.091,583 0.04,584 0.048,585 0.027,586 0.022,587 0.019,588 0.01,589 0.008,590 0.475,591 0.33,592 0.75,593 0.726,594 211.21,595 -0.037,596 -0.318,597 0.031,598 -0.109,599 -0.034,600 -0.032,601 -0.072,602 0.121,603 0.078,604 0.206,605 0.043,606 0.181,607 -0.027,608 0.061,609 -0.001,610 -0.003,611 0.009,612 -0.054,613 -0.056,614 -0.141,615 -0.074,616 -0.149,617 -0.052,618 -0.132,619 0.027,620 0.105,621 0.092,622 0.111,623 0.013,624 0.121,625 -0.015,626 -0.083,627 -0.027,628 -0.058,629 -0.049,630 -0.079,631 0.148,632 -0.015,633 0.063,635 0.164,636 0.008,637 -0.057,638 0.066,639 0.107,640 0.148,641 0.005,642 0.168,643 1.935,644 6.295,645 0.737,646 44.382,647 1.009,648 1.125,649 2.429,650 5.901,651 0.687,652 3.761,653 4.127,654 4.431,655 4.691,656 5.004,657 5.118,658 5.263,659 5.394,660 5.501,661 5.557,662 8.318,663 0.653,664 554.52,665 3.761,666 5.333,667 6.205,668 7.099,669 7.989,670 8.888,671 9.784,672 10.686,673 11.586,674 12.488,675 7.5,678 1,681 1,682 2,683 1,688 9,693 9,695 18,702 1,709 2,712 1,713 2,714 67,716 20,717 3,718 42,720 71,721 28,722 18,723 9,724 9,725 1,730 5,731 6,732 2,745 20,746 8,750 2,755 2,759 2,764 29,765 8,766 1,767 10,768 2,773 5,777 0.8,778 3,793 5,797 1,806 1,815 1,819 4,823 3,824 2,827 38,833 5,834 1,835 1,838 4,846 2,847 4.5,850 2,852 1,854 20,855 13.086,856 8.25,857 3.846,858 3.287,859 1.38,860 0.993,861 7.955,862 11.934,863 3.989,864 4.58,865 5.134,866 5.665,867 6.235,868 6.492,869 6.851,870 7.186,871 7.528,872 7.819,873 0.9,874 68,875 14.091,877 6.065,878 7.765,879 26.826,881 22.185,883 2.265,884 86.056,888 329.591,889 162.114,890 30.508,891 78.297,892 61.29,895 162.114,896 469.178,897 30.508,898 27.676,899 31.664,900 85.286,901 59.699,902 49.587,904 329.591,905 78.297,906 329.591,907 192.622,908 61.29,909 78.297,911 329.591,912 61.29,915 37.912,916 154.71,917 78.297,919 329.591,920 91.798,921 240.411,924 329.591,925 49.152,926 125.459,927 18.011,928 139.587,929 329.591,930 91.798,931 240.411,933 0.594,934 0.358,935 0.185,936 0.11,937 30,938 15,939 0.07,940 5,941 1,942 1.071,943 4.655,944 384.753,945 0.071,946 28,947 195.421,951 26.938,952 11.222,953 5.573,955 91.798,956 16.238,961 5.85,963 18.011,964 661.8,965 53,970 26.133,974 -0.372,975 67.625,976 75.405,977 0.277,978 0.588,979 0.78,980 0.894,981 0.911,982 0.911,983 5.265,984 2.077,985 6.217,986 6.658,987 4.812,988 5.268,989 2.697,990 7.064,991 4.696,992 6.475,993 1.96,994 7.807,995 6.352,996 4.511,997 5.139,998 1.865,999 8.025,1000 4.305,1001 7.792,1002 1.614,1003 9.492,1004 5.603,1005 6.454,1006 7.415,1007 3.296,1008 11.132,1009 6.237,1010 9.138,1011 1.414,1012 11.232,1013 4.815,1014 6.929,1015 8.049,1016 3.249,1017 12.887,1018 6.629,1019 10.514,1020 1.287,1021 13.005,1022 3.523,1023 8.369,1024 9.846,1025 4.357,1026 15.533,1027 8.056,1028 11.909,1029 1.136,1030 14.802,1031 3.42,1032 9.195,1033 10.833,1034 4.693,1035 17.637,1036 8.811,1037 13.32,1038 1,1039 16.617,1040 3.038,1041 10.443,1042 12.429,1043 5.608,1044 20.123,1045 10.036,1046 3.267,1047 0.953,1048 18.444,1049 2.539,1050 11.436,1051 13.597,1052 6.119,1053 22.39,1054 10.969,1055 3.057,1056 11.437,1057 20.283,1058 2.275,1059 12.612,1060 15.096,1061 6.929,1062 24.82,1063 12.114,1064 2.859,1065 10.269,1066 22.132,1067 4.109,1068 13.685,1069 16.361,1070 7.524,1071 27.164,1072 13.134,1073 2.736,1074 9.113,1075 23.987,1076 3.962,1077 14.837,1078 17.809,1079 8.278,1080 29.578,1081 14.248,1082 2.473,1083 8.529,1084 25.85,1085 3.862,1086 15.949,1087 19.128,1088 8.915,1089 31.959,1090 15.312,1091 2.463,1092 7.828,1093 27.719,1094 3.39,1095 17.097,1096 20.549,1097 9.639,1098 34.372,1099 16.419,1100 2.254,1101 6.964,1102 29.593,1103 2.947,1104 18.23,1105 21.9,1106 10.3,1107 36.773,1108 17.505,1109 21839,1110 37499,1111 27.57,1112 46.006,1113 64.148,1114 66.651,1115 67.016,1116 63.661,1117 63.415,1118 79.089,1119 13.768,1120 189.542,1121 59.49,1122 5.528,1123 5.818,1124 6.409,1125 5.29,1126 5.267,1127 7.109,1128 3.465,1129 19.032,1130 5.118,1131 22.524,1132 1.527,1133 1.587,1134 1.596,1135 1.516,1136 1.51,1137 1.883,1138 0.328,1139 4.513,1140 1.416,1141 4.061,1142 4.094,1143 4.131,1144 3.961,1145 7.431,1146 3.969,1147 3.956,1148 3.996,1149 3.971,1150 3.852,1151 7.426,1152 3.859,1153 3.851,1154 3.871,1155 3.891,1156 3.798,1157 5.046,1158 3.792,1159 3.743,1160 3.804,1161 3.637,1162 3.558,1163 4.864,1164 3.566,1165 3.572,1166 3.606,1167 3.534,1168 3.375,1169 4.702,1170 3.402,1171 3.317,1172 3.368,1173 3.402,1174 3.066,1175 4.491,1176 3.099,1177 3.212,1178 3.304,1179 3.296,1180 2.987,1181 4.418,1182 2.989,1183 3.192,1184 3.285,1185 3.224,1186 2.941,1187 4.349,1188 2.94,1189 0.108,1190 0.091,1191 0.164,1192 0.1,1193 0.078,1194 4.528,1195 0.098,1196 3.818,1197 0.047,1198 6.869,1199 0.272,1200 4.221,1201 0.074,1202 3.267,1203 4.109,1204 1.989,1205 11.437,1206 3.118,1207 1.98,1208 1.955,1209 2.055,1210 2.104,1211 1.305,1212 2.091,1213 1.913,1214 1.883,1215 2.027,1216 2.062,1217 1.218,1218 2.055,1219 1.829,1220 1.812,1221 1.909,1222 1.922,1223 1.057,1224 1.925,1225 1.706,1226 1.637,1227 1.883,1228 1.881,1229 1.024,1230 1.89,1231 1.489,1232 1.449,1233 1.674,1234 1.708,1235 0.825,1236 1.695,1237 1.23,1238 1.172,1239 1.572,1240 1.533,1241 0.798,1242 1.542,1243 1.175,1244 1.086,1245 1.54,1246 1.468,1247 0.641,1248 1.494,1249 1.171,1250 1.07,1251 1.513,1252 1.433,1253 0.63,1254 1.462,1255 4.443,1257 5.796,1259 7.349,1261 8.992,1263 10.683,1265 5.471,1266 12.324,1271 3.824,1272 3.007,1273 5.589,1276 7.993,1280 43.755,1281 112.576,1282 239.049,1283 316.879,1284 363.408,1285 370.163,1286 370.163,1287 75.837,1288 8.648,1289 68.36,1290 68.36,1291 30,1292 13.009,1293 4.392,1294 3.585,1295 59.199,1296 192,1297 194,1298 0.15,1299 272.814,1300 481.21,1301 657.425,1302 79280,1303 3,1304 26.974,1305 0.71,1306 0.606,1307 27.974,1308 23.013,1309 18.244,1310 0.434,1311 0.311,1312 12.163,1313 16.922,1314 11.731,1315 9.685,1316 18.822,1317 13.066,1318 16.909,1319 0.277,1320 0.169,1321 17.65,1322 10.286,1323 14.864,1324 0.179,1325 0.094,1326 15.778,1327 7.792,1328 11.766,1329 0.109,1330 0.047,1331 12.152,1332 5.064,1333 10.277,1334 0.069,1335 0.026,1336 10.666,1337 3.783,1338 0.238,1339 120.927,1340 0.19,1341 34.434,1342 0.403,1343 206,1344 610.527,1345 255.725,1346 645.403,1347 862.31,1348 602,1349 247,1350 588.065,1351 294.917,1352 616.748,1353 906.5,1354 577,1355 7.357} {0 CHEMBL191460,1 1.256,2 17.895,3 6.635,4 44.018,5 160.42,6 6.167,7 0.439,8 4.456,9 4.597,10 3.86,11 4.015,12 5.375,13 3.943,14 5.039,15 5.252,16 4.149,17 4.421,18 5.857,19 4.31,20 5.329,21 5.579,22 4.159,23 4.576,24 6.1,25 4.411,26 5.426,27 5.714,28 4.096,29 4.536,30 6.175,31 4.354,32 5.354,33 5.641,34 4.13,35 4.485,36 6.145,37 4.328,38 5.283,39 5.533,40 4.141,41 4.481,42 6.165,43 4.337,44 5.328,45 5.59,46 4.075,47 4.507,48 6.148,49 4.343,50 5.325,51 5.601,52 4.065,53 4.535,54 6.026,55 4.352,56 0.096,57 1.148,58 19.988,59 8.305,60 12.762,61 11.971,62 0.301,63 1.907,64 35.711,65 13.609,66 24.744,67 20.128,68 0.321,69 2.362,70 46.874,71 18.77,72 36.578,73 27.188,74 0.38,75 2.445,76 51.35,77 19.471,78 52.646,79 28.568,80 0.438,81 2.311,82 48.228,83 17.514,84 51.189,85 26.011,86 0.357,87 2.188,88 45.268,89 17.048,90 55.67,91 24.653,92 0.407,93 2.257,94 47.165,95 17.805,96 59.211,97 25.767,98 0.26,99 2.308,100 45.974,101 18.713,102 35.725,103 27.375,104 13,105 53,106 0.191,107 0.458,108 0.663,109 0.778,110 0.801,111 0.815,112 3.667,113 1.055,114 -6.07,115 -5.92,116 -5.5,119 41,121 7,122 1,124 2,125 5,140 13,141 5,156 1,169 27,171 1,172 3,176 2,178 32,181 1,182 4,186 3,189 23,193 5,197 4,199 15,202 1,203 9,208 3,211 14,215 10,220 2,222 15,226 6,231 2,233 17,237 6,242 2,244 21,249 6,254 1,256 23,259 3234,260 25.982,261 25.982,262 25.982,263 25.982,264 25.982,265 23.717,266 23.636,267 15.962,268 26.241,269 20.281,270 20.281,271 20.281,272 20.281,273 20.281,274 16.903,275 28.191,276 7.672,277 20.652,278 5.119,279 3.36,280 2.007,281 1.25,282 1.103,283 1.006,284 4.364,290 1449,291 4.583,294 142.589,295 476.732,302 3.069,303 19.424,306 0.5,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.68,314 78.5,315 680,316 4.27,317 3.725,318 6.153,319 3.902,320 2.909,321 3.924,322 1.943,323 9.092,324 2.895,325 4.01,326 2.942,327 6.057,328 3.782,329 2.811,330 3.459,331 0.8,332 8.737,333 2.725,334 3.897,335 2.782,336 5.366,337 3.537,338 2.54,339 3.444,340 0.736,341 7.034,342 2.532,343 3.839,344 2.72,345 5.346,346 3.521,347 2.524,348 3.125,349 0.657,350 6.977,351 2.518,352 3.605,353 2.617,354 5.331,355 3.453,356 2.46,357 2.918,358 0.079,359 6.933,360 2.442,361 3.51,362 2.545,363 5.251,364 3.256,365 2.263,366 2.521,368 6.632,369 2.251,370 3.206,371 2.523,372 4.66,373 3.101,374 2.176,375 2.21,377 5.161,378 2.004,379 2.966,380 2.041,381 4.363,382 2.625,383 1.648,384 2.128,386 4.213,387 1.608,388 2.922,389 1.797,390 4.098,391 2.534,392 1.542,393 2.086,395 3.62,396 1.526,397 2.579,398 1.564,399 3.721,400 2.411,401 1.427,402 1.558,404 3.32,405 1.401,406 2.5,407 1.404,408 3.463,409 2.227,410 1.259,411 1.5,413 2.746,414 1.215,415 2.5,416 1.384,417 3.451,418 2.165,419 1.166,420 1.5,422 2.612,423 1.159,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.459,434 1,435 3.414,436 2,437 1,438 1.454,440 2.275,441 1,442 2.268,443 1,444 3.247,445 2,446 1,447 1.232,449 2.136,450 1,451 18.533,452 0.488,453 0.694,454 0.018,455 42.25,456 1.112,457 19.5,458 0.513,459 22.75,460 0.599,461 39.503,462 1.04,463 42.067,464 0.507,465 32.502,466 0.855,467 8.013,468 0.211,469 10.55,470 0.278,471 0.072,473 0.232,479 0.817,480 1.348,481 1.001,482 1.172,483 0.616,484 1.108,485 1.137,486 1.032,487 1.105,488 1.006,489 0.648,490 1.035,491 0.992,492 1.137,493 1.116,494 1.155,495 0.986,496 1.146,497 1.242,498 1.022,499 0.966,500 0.967,501 1.417,502 0.955,503 1.324,504 0.885,505 0.917,506 0.845,507 1.294,508 0.849,509 1.671,510 1.09,511 1.079,512 1.058,513 1.982,514 1.039,515 1.84,516 0.977,517 1.134,518 0.967,519 2.206,520 1.008,521 0.622,522 1.053,523 0.989,524 1.052,525 0.439,526 1.044,527 6.5,528 0.241,529 3.333,530 1.16,531 1.281,532 1.024,533 0.708,534 0.471,535 0.366,536 0.235,537 27886,538 51038,539 2.084,540 54.2,541 11,542 29,545 1,546 2,547 2,550 1.783,551 2,552 4.068,553 -0.505,559 104.266,560 1.256,561 3.015,562 4.368,563 5.125,564 5.273,565 5.369,566 3.514,567 4.366,568 5.212,569 4.312,570 3031.33,571 9.157,572 56565.2,577 529.128,578 1.156,579 5.202,580 0.159,581 0.006,582 0.063,583 0.023,584 0.028,585 0.021,586 0.014,587 0.01,588 0.008,589 0.005,590 0.338,591 0.33,592 0.63,593 0.842,594 218.867,595 0.043,596 -0.116,597 0.055,598 -0.024,599 0.02,600 0.008,601 -0.037,602 0.124,603 -0.061,604 0.032,605 0.02,606 -0.005,607 -0.016,608 -0.099,609 -0.115,610 -0.132,611 -0.032,612 -0.131,613 -0.015,614 -0.059,615 0.03,616 -0.001,617 -0.05,618 0.013,619 0.049,620 0.11,621 0.098,622 0.105,623 0.049,624 0.107,625 -0.066,626 -0.074,627 -0.042,628 -0.062,629 -0.028,630 -0.052,631 -0.216,632 0.021,633 -0.102,634 0.017,635 -0.21,636 -0.031,637 0.005,638 -0.052,639 -0.021,640 -0.043,641 0.02,642 -0.035,643 1.365,644 6.106,645 0.605,646 63.596,647 0.978,648 1.126,649 4.837,650 23.4,651 0.644,652 3.738,653 3.989,654 4.174,655 4.344,656 4.511,657 4.522,658 4.625,659 4.727,660 4.828,661 4.905,662 10.408,663 0.588,664 511.82,665 3.738,666 5.242,667 6.047,668 6.876,669 7.697,670 8.529,671 9.356,672 10.191,673 11.023,674 11.86,675 3.6,677 1,678 1,682 1,688 13,693 5,695 18,714 83,716 19,717 3,718 41,720 86,721 34,722 18,723 5,724 13,730 4,731 4,740 4,741 1,743 7,745 19,746 15,747 1,750 1,755 1,759 1,764 45,765 4,766 1,767 4,773 3,777 1,778 1,792 1,793 3,806 1,814 1,815 1,819 4,823 2,827 38,833 12,834 1,837 1,838 2,847 1.2,850 1,854 19,855 14.983,856 8.556,857 5.326,858 3.144,859 1.396,860 0.965,861 11.126,862 11.092,863 3.951,864 4.425,865 4.877,866 5.335,867 5.84,868 5.924,869 6.276,870 6.598,871 6.943,872 7.232,873 0.917,874 50,875 14.15,877 5.782,878 7.417,879 28.343,881 23.334,883 1.917,884 72.833,888 517.928,889 188.887,890 24.259,892 25.145,895 188.887,896 543.073,897 24.259,898 16.793,899 31.395,900 141.202,901 29.85,902 19.052,904 517.928,906 517.928,907 213.146,908 25.145,911 494.386,912 48.687,915 52.53,916 160.616,919 517.928,920 49.404,921 188.887,924 517.928,925 48.903,926 146.233,927 18.011,928 25.145,929 517.928,930 49.404,931 188.887,933 0.564,934 0.31,935 0.158,936 0.084,937 21,938 9,939 0.163,940 14,942 1,943 5.143,944 332.815,946 23,947 181.421,951 28.234,952 14.974,953 9.488,955 49.404,956 28.198,961 6.298,963 18.011,964 756.22,965 51,970 13.106,974 0.302,975 81.188,976 93.424,977 0.197,978 0.473,979 0.685,980 0.804,981 0.827,982 0.842,983 5.156,984 1.648,985 5.979,986 5.161,987 4.673,988 5.112,989 2.308,990 6.671,991 4.642,992 6.289,993 1.542,994 7.461,995 4.213,996 4.007,997 4.59,998 1.738,999 7.322,1000 3.956,1001 7.535,1002 1.427,1003 9.038,1004 3.62,1005 6.155,1006 7.111,1007 3.034,1008 10.349,1009 6.096,1010 8.811,1011 1.259,1012 10.674,1013 3.32,1014 6.33,1015 7.409,1016 3.151,1017 11.852,1018 6.256,1019 10.12,1020 1.166,1021 12.347,1022 2.746,1023 7.878,1024 9.395,1025 4.151,1026 14.343,1027 7.796,1028 11.449,1029 1,1030 14.047,1031 2.612,1032 8.453,1033 10.091,1034 4.551,1035 16.207,1036 8.359,1037 12.795,1038 1,1039 15.767,1040 2.275,1041 9.733,1042 11.825,1043 5.395,1044 18.505,1045 9.629,1046 2.909,1047 1,1048 17.5,1049 2.275,1050 10.519,1051 12.751,1052 5.925,1053 20.536,1054 10.404,1055 2.811,1056 9.092,1057 19.245,1058 2.136,1059 11.669,1060 14.339,1061 6.684,1062 22.762,1063 11.544,1064 2.54,1065 8.737,1066 20.998,1067 3.924,1068 12.57,1069 15.412,1070 7.279,1071 24.873,1072 12.433,1073 2.524,1074 7.034,1075 22.759,1076 3.459,1077 13.658,1078 16.909,1079 7.993,1080 27.073,1081 13.511,1082 2.46,1083 6.977,1084 24.526,1085 3.444,1086 14.622,1087 18.08,1088 8.621,1089 29.225,1090 14.463,1091 2.263,1092 6.933,1093 26.298,1094 3.125,1095 15.682,1096 19.521,1097 9.312,1098 31.416,1099 15.513,1100 2.176,1101 6.632,1102 28.075,1103 2.918,1104 16.681,1105 20.757,1106 9.957,1107 33.588,1108 16.501,1109 26473,1110 35968,1111 27.909,1112 53.461,1113 59.426,1114 60.025,1115 59.887,1116 59.32,1117 59.254,1118 73.141,1119 8.431,1120 156.119,1121 58.304,1122 5.256,1123 5.725,1124 5.955,1125 4.924,1126 4.909,1127 6.924,1128 3.352,1129 15.265,1130 4.895,1131 15.13,1132 1.449,1133 1.464,1134 1.461,1135 1.447,1136 1.445,1137 1.784,1138 0.206,1139 3.808,1140 1.422,1141 4.041,1142 4.073,1143 3.977,1144 3.985,1145 7.427,1146 3.98,1147 3.918,1148 3.96,1149 3.838,1150 3.859,1151 4.835,1152 3.85,1153 3.905,1154 3.948,1155 3.79,1156 3.804,1157 4.749,1158 3.79,1159 3.82,1160 3.865,1161 3.728,1162 3.74,1163 4.599,1164 3.733,1165 3.705,1166 3.771,1167 3.593,1168 3.516,1169 4.344,1170 3.527,1171 3.55,1172 3.619,1173 3.413,1174 3.342,1175 4.277,1176 3.345,1177 3.492,1178 3.566,1179 3.348,1180 3.319,1181 4.203,1182 3.315,1183 3.286,1184 3.371,1185 3.111,1186 3.123,1187 3.981,1188 3.111,1189 0.104,1190 0.091,1191 0.15,1192 0.095,1193 0.071,1194 4.27,1195 0.096,1196 3.725,1197 0.047,1198 6.153,1199 0.222,1200 3.902,1201 0.071,1202 2.909,1203 3.924,1204 1.943,1205 9.092,1206 2.895,1207 2.007,1208 1.985,1209 2.108,1210 2.079,1211 1.375,1212 2.09,1213 1.921,1214 1.89,1215 2.057,1216 2.012,1217 1.268,1218 2.029,1219 1.826,1220 1.79,1221 1.99,1222 1.97,1223 1.231,1224 1.977,1225 1.752,1226 1.704,1227 1.942,1228 1.88,1229 1.211,1230 1.904,1231 1.639,1232 1.562,1233 1.883,1234 1.86,1235 1.165,1236 1.876,1237 1.577,1238 1.507,1239 1.86,1240 1.751,1241 1.063,1242 1.793,1243 1.486,1244 1.413,1245 1.733,1246 1.703,1247 0.905,1248 1.717,1249 1.416,1250 1.348,1251 1.666,1252 1.645,1253 0.881,1254 1.656,1255 4.419,1257 5.687,1258 2.398,1259 7.128,1260 4.443,1261 8.646,1262 6.26,1263 10.204,1265 4.143,1271 12.267,1272 3.551,1275 0.755,1276 4.215,1280 48.842,1281 104.266,1282 250.217,1283 362.519,1284 425.354,1285 437.618,1286 445.618,1287 72.464,1288 7.948,1289 35.58,1290 35.58,1291 23,1292 12.429,1293 4.322,1294 3.459,1295 68.019,1296 240,1297 248,1298 0.134,1299 302.442,1300 530.01,1301 729.718,1302 38462,1304 26.581,1305 0.699,1306 0.615,1307 26.581,1308 23.371,1309 18.564,1310 0.453,1311 0.352,1312 14.314,1313 18.203,1314 13.869,1315 11.606,1316 18.564,1317 14.42,1318 16.022,1319 0.302,1320 0.21,1321 16.022,1322 11.114,1323 12.71,1324 0.199,1325 0.122,1326 12.71,1327 7.788,1328 9.829,1329 0.129,1330 0.07,1331 9.829,1332 5.346,1333 7.671,1334 0.085,1335 0.038,1336 7.671,1337 3.448,1338 0.223,1339 113.816,1340 0.189,1341 35.873,1342 0.339,1343 188,1344 395.359,1345 195.432,1346 396.852,1347 544.95,1348 374,1349 211,1350 390.988,1351 219.183,1352 408.246,1353 583.49,1354 382,1355 6.4} {0 CHEMBL191605,1 1.52,2 14.258,3 4.343,4 18.858,5 122.082,6 7.128,7 0.5,8 4.167,9 4.29,10 3.704,11 3.683,12 5.233,13 3.656,14 4.731,15 4.92,16 4.042,17 4.074,18 5.812,19 4.031,20 4.973,21 5.181,22 4.104,23 4.248,24 5.927,25 4.168,26 5.102,27 5.345,28 4.009,29 4.242,30 6.029,31 4.121,32 5.089,33 5.356,34 3.854,35 4.13,36 5.984,37 4.001,38 4.896,39 5.142,40 3.744,41 4.014,42 5.79,43 3.882,44 4.848,45 5.115,46 3.735,47 3.972,48 5.652,49 3.852,50 4.81,51 5.038,52 3.703,53 3.961,54 5.768,55 3.846,56 0.105,57 0.867,58 12.811,59 5.411,60 9.733,61 7.407,62 0.301,63 1.402,64 24.717,65 8.557,66 46.469,67 12.207,68 0.339,69 1.714,70 32.007,71 11.344,72 32.351,73 16.11,74 0.325,75 1.77,76 37.844,77 13.547,78 49.805,79 19.376,80 0.538,81 1.642,82 39.245,83 12.744,84 71.298,85 18.223,86 0.489,87 1.435,88 31.346,89 10.569,90 54.019,91 15.287,92 0.319,93 1.402,94 29.871,95 9.829,96 31.452,97 14.607,98 0.346,99 1.33,100 28.327,101 9.77,102 50.397,103 13.669,104 18,105 47,106 0.246,107 0.529,108 0.709,109 0.822,110 0.849,111 0.849,112 3.471,113 0.942,114 -4.18,115 -4.12,116 -3.9,119 40.7,120 2,125 7,140 8,141 3,142 2,144 2,164 2,169 9,171 1,172 9,178 10,181 2,182 13,189 8,192 1,193 11,199 6,202 1,203 6,211 2,214 3,215 6,222 1,225 1,226 3,236 1,237 4,248 2,249 6,259 1639,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.485,266 25.831,267 12.31,268 21.354,269 16.782,270 16.782,271 16.782,272 16.782,273 16.782,274 13.252,275 33.461,276 5.85,277 17.534,278 4.363,279 2.611,280 1.504,281 0.805,282 0.636,283 0.636,284 4.169,288 1,289 1,290 956,291 3.391,295 403.591,299 156.74,302 2.298,303 26.645,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 442,316 4.516,317 3.806,318 6.517,319 4.026,320 3.054,321 4.458,322 2.612,323 10.248,324 2.968,325 4.407,326 3.186,327 6.368,328 3.963,329 2.983,330 4.134,331 0.916,332 9.571,333 2.922,334 3.801,335 3.064,336 5.592,337 3.607,338 2.678,339 3.198,340 0.86,341 7.682,342 2.49,343 3.717,344 2.808,345 5.333,346 3.325,347 2.38,348 3.17,349 0.8,350 6.873,351 2.252,352 3.585,353 2.627,354 5.296,355 3.274,356 2.321,357 2.714,358 0.172,359 6.703,360 2.21,361 3.371,362 2.563,363 4.922,364 2.954,365 2.006,366 2.63,368 5.72,369 1.896,370 3.294,371 2.203,372 4.813,373 2.848,374 1.887,375 2.545,377 5.291,378 1.812,379 3.067,380 2.13,381 4.691,382 2.799,383 1.819,384 2.219,386 4.736,387 1.768,388 2.988,389 1.601,390 4.196,391 2.512,392 1.524,393 2.097,395 3.817,396 1.504,397 2.607,398 1.465,399 3.609,400 2.157,401 1.228,402 1.596,404 2.714,405 1.13,406 2.491,407 1.349,408 3.526,409 2,410 1,411 1.488,413 2.424,414 1,415 2.139,416 1.146,417 3.414,418 1.967,419 1,420 1.082,422 2.275,423 0.965,424 2,425 1,426 3.315,427 1.836,428 0.867,429 1,431 2.004,432 0.837,433 1.512,434 0.969,435 3.014,436 1.302,437 0.34,438 0.379,440 0.835,441 0.325,442 1.276,443 0.668,444 2.696,445 1.008,446 0.059,447 0.068,449 0.142,450 0.056,451 14.6,452 0.471,453 0.767,454 0.025,455 39.75,456 1.282,457 19.5,458 0.629,459 20.25,460 0.653,461 26.499,462 0.855,463 34,464 0.576,465 29.493,466 0.951,467 7.947,468 0.256,469 7.044,470 0.227,471 0.114,473 0.322,479 0.537,480 1.389,481 0.792,482 1.164,483 0.499,484 1.042,485 0.932,486 1.086,487 0.897,488 0.918,489 0.407,490 0.887,491 0.941,492 1.068,493 1.065,494 1.077,495 0.543,496 1.076,497 0.86,498 1.124,499 1,500 1.167,501 0.72,502 1.117,503 1.243,504 0.846,505 1.013,506 0.88,507 1.178,508 0.913,509 0.986,510 1.065,511 1.097,512 1.056,513 1.002,514 1.098,515 0.846,516 0.938,517 0.946,518 0.931,519 0.58,520 0.94,521 1.245,522 1.082,523 1.194,524 1.126,525 1.492,526 1.155,527 6.5,528 0.161,529 3.333,530 1.938,531 1.582,532 0.715,533 0.667,534 0.389,535 0.209,536 0.222,537 15424,538 39872,539 2.084,540 47.5,541 3,542 22,546 3,550 1.728,551 1.958,552 3.748,553 -0.767,555 1,559 89.676,560 1.52,561 3.272,562 4.379,563 5.077,564 5.247,565 5.247,566 3.205,567 4.672,568 4.93,569 3.986,570 1853.5,571 8.559,572 28638.1,574 1,577 347.076,578 1.383,579 4.888,580 0.191,581 0.008,582 0.071,583 0.04,584 0.039,585 0.02,586 0.022,587 0.012,588 0.007,589 0.009,590 0.419,591 0.33,592 1,593 0.701,594 166.083,595 0.193,596 -0.161,597 0.082,598 -0.062,599 0.027,600 -0.024,601 0.002,602 0.052,603 0.049,604 0.088,605 0.216,606 0.085,607 -0.059,608 0.023,609 -0.118,610 -0.075,611 0.018,612 -0.097,613 0.016,614 -0.161,615 -0.033,616 -0.165,617 0.057,618 -0.114,619 -0.114,620 0.057,621 0.007,622 0.077,623 -0.098,624 0.062,625 0.013,626 -0.101,627 -0.111,628 -0.078,629 -0.094,630 -0.117,631 -0.033,632 0.048,633 0.032,634 0.028,635 -0.001,636 0.042,637 -0.156,638 -0.098,639 -0.208,640 -0.137,641 -0.2,642 -0.178,643 2.302,644 4.169,645 0.71,646 34.576,647 1,648 1.129,649 2.95,650 8.701,651 0.653,652 3.555,653 3.871,654 4.111,655 4.344,656 4.564,657 4.543,658 4.625,659 4.682,660 4.736,661 4.804,662 8.528,663 0.62,664 420.56,665 3.555,666 5.094,667 5.932,668 6.799,669 7.651,670 8.519,671 9.375,672 10.243,673 11.102,674 11.969,675 6.8,678 2,685 1,686 1,687 2,688 8,689 1,693 5,695 17,708 1,712 1,714 59,716 19,717 2,718 34,720 62,721 24,722 15,723 6,724 6,730 4,731 5,736 2,745 15,746 9,750 2,752 1,755 2,761 1,764 28,765 6,767 7,773 4,777 0.75,778 3,786 1,793 4,797 1,815 2,819 3,823 2,827 31,833 7,835 1,838 2,847 5.1,852 1,853 2,854 15.833,855 11.217,856 6.778,857 3.615,858 3.414,859 1.433,860 0.975,861 6.691,862 11.303,863 3.818,864 4.419,865 4.958,866 5.522,867 6.064,868 6.239,869 6.52,870 6.745,871 6.968,872 6.736,873 1,874 48,875 11.477,877 4.823,878 7.715,879 22.198,881 18.201,883 2.215,884 68.667,887 1,888 329.591,889 132.532,890 28.704,892 61.747,895 132.532,896 391.338,897 28.704,898 23.32,899 17.227,900 75.81,901 16.786,902 39.094,904 329.591,905 50.747,906 329.591,907 161.236,908 61.747,911 329.591,912 11,913 50.747,915 46.027,916 92.754,917 22.456,919 329.591,920 90.451,921 132.532,924 329.591,925 39.072,926 105.379,928 78.532,929 329.591,930 90.451,931 132.532,933 0.583,934 0.335,935 0.179,936 0.098,937 22,938 10,939 0.113,940 7,941 1,942 1.091,943 4.376,944 266.21,945 0.091,946 22,947 145.58,951 21.54,952 9.63,953 5.327,954 2.007,955 84.781,956 15.607,957 4.563,961 3.781,964 552.574,965 44.5,967 -0.302,970 22.339,975 58.992,976 66.604,977 0.258,978 0.556,979 0.744,980 0.863,981 0.892,982 0.892,983 5.051,984 1.819,985 5.911,986 5.291,987 4.554,988 5.106,989 2.781,990 6.688,991 4.473,992 6.251,993 1.524,994 7.451,995 4.736,996 4.111,997 4.977,998 2.431,999 7.519,1000 3.992,1001 7.555,1002 1.228,1003 9.087,1004 3.817,1005 6.12,1006 7.32,1007 4.193,1008 10.585,1009 5.964,1010 8.892,1011 1,1012 10.779,1013 2.714,1014 6.463,1015 8.015,1016 4.515,1017 12.24,1018 6.276,1019 10.261,1020 1,1021 12.509,1022 2.424,1023 7.948,1024 9.86,1025 5.953,1026 14.82,1027 7.729,1028 11.653,1029 0.867,1030 14.264,1031 2.275,1032 8.67,1033 10.952,1034 6.557,1035 16.837,1036 8.426,1037 13.064,1038 0.34,1039 16.04,1040 2.004,1041 9.932,1042 12.592,1043 7.795,1044 19.243,1045 9.661,1046 3.054,1047 0.059,1048 17.831,1049 0.835,1050 10.844,1051 13.882,1052 8.548,1053 21.422,1054 10.552,1055 2.983,1056 10.248,1057 19.635,1058 0.142,1059 12.008,1060 15.43,1061 9.67,1062 23.763,1063 11.691,1064 2.678,1065 9.571,1066 21.449,1067 4.458,1068 13.015,1069 16.816,1070 10.509,1071 26.013,1072 12.678,1073 2.38,1074 7.682,1075 23.271,1076 4.134,1077 14.138,1078 18.325,1079 11.563,1080 28.332,1081 13.778,1082 2.321,1083 6.873,1084 25.101,1085 3.198,1086 15.192,1087 19.758,1088 12.452,1089 30.614,1090 14.811,1091 2.006,1092 6.703,1093 26.936,1094 3.17,1095 16.299,1096 21.249,1097 13.468,1098 32.926,1099 15.896,1100 1.887,1101 5.72,1102 28.777,1103 2.714,1104 17.376,1105 22.705,1106 14.386,1107 35.223,1108 16.952,1109 14568,1110 23582,1111 22.77,1112 38.523,1113 50.342,1114 51.997,1115 51.801,1116 50.305,1117 50.293,1118 65.556,1119 10.722,1120 142.068,1121 48.272,1122 5.516,1123 5.806,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 4.612,1129 17.078,1130 4.968,1131 15.551,1132 1.481,1133 1.529,1134 1.524,1135 1.48,1136 1.479,1137 1.928,1138 0.315,1139 4.178,1140 1.42,1141 4.081,1142 4.108,1143 4.041,1144 4.001,1145 7.815,1146 4.007,1147 4.017,1148 4.047,1149 3.976,1150 3.909,1151 6.999,1152 3.915,1153 3.829,1154 3.899,1155 3.722,1156 3.625,1157 5.016,1158 3.636,1159 3.556,1160 3.602,1161 3.484,1162 3.428,1163 4.69,1164 3.424,1165 3.509,1166 3.549,1167 3.436,1168 3.258,1169 4.58,1170 3.269,1171 3.406,1172 3.463,1173 3.27,1174 3.106,1175 4.349,1176 3.138,1177 3.233,1178 3.307,1179 3.067,1180 3,1181 4.224,1182 3.043,1183 3.111,1184 3.206,1185 2.929,1186 2.947,1187 3.939,1188 2.931,1189 0.133,1190 0.112,1191 0.192,1192 0.118,1193 0.09,1194 4.516,1195 0.131,1196 3.806,1197 0.077,1198 6.517,1199 0.301,1200 4.026,1201 0.087,1202 3.054,1203 4.458,1204 2.612,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.126,1211 1.344,1212 2.121,1213 1.962,1214 1.934,1215 2.073,1216 2.111,1217 1.222,1218 2.091,1219 1.772,1220 1.701,1221 1.971,1222 2.003,1223 1.183,1224 1.992,1225 1.535,1226 1.491,1227 1.746,1228 1.73,1229 0.971,1230 1.723,1231 1.421,1232 1.355,1233 1.683,1234 1.673,1235 0.825,1236 1.656,1237 1.267,1238 1.21,1239 1.572,1240 1.604,1241 0.805,1242 1.559,1243 1.18,1244 1.132,1245 1.513,1246 1.459,1247 0.756,1248 1.5,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.479,1254 1.429,1255 4.234,1257 5.549,1259 7.057,1261 8.655,1263 10.298,1265 3.769,1271 6.073,1273 6.072,1276 4.756,1280 36.552,1281 89.676,1282 193.028,1283 258.347,1284 299.566,1285 309.566,1286 309.566,1287 53.369,1288 7.889,1289 74.42,1290 74.42,1291 24,1292 12.515,1293 4.322,1294 3.524,1295 49.959,1296 163,1297 133,1298 0.147,1299 224.232,1300 388.23,1301 538.887,1302 34978,1304 21.794,1305 0.703,1306 0.583,1307 21.794,1308 18.082,1309 14.991,1310 0.441,1311 0.314,1312 10.517,1313 14.337,1314 10.208,1315 8.449,1316 14.991,1317 10.672,1318 13.651,1319 0.29,1320 0.173,1321 13.651,1322 8.12,1323 11.102,1324 0.185,1325 0.097,1326 11.102,1327 5.838,1328 9.176,1329 0.121,1330 0.053,1331 9.176,1332 4.018,1333 7.515,1334 0.079,1335 0.031,1336 7.515,1337 2.903,1338 0.243,1339 94.387,1340 0.21,1341 29.975,1342 0.375,1343 162,1344 471.787,1345 177.936,1346 452.253,1347 612.41,1348 422,1349 188,1350 451.862,1351 204.912,1352 453.088,1353 655.54,1354 424,1355 8.7} {0 CHEMBL191619,1 1.553,2 13.414,3 5.291,4 27.993,5 119.325,6 7.971,7 0.531,8 4.078,9 4.193,10 3.714,11 3.661,12 5.078,13 3.618,14 4.646,15 4.83,16 4.09,17 4.057,18 5.596,19 3.994,20 4.905,21 5.112,22 4.206,23 4.236,24 5.817,25 4.128,26 4.98,27 5.208,28 4.179,29 4.213,30 5.862,31 4.055,32 4.94,33 5.207,34 3.915,35 4.094,36 5.694,37 3.938,38 4.816,39 5.045,40 3.876,41 4.049,42 5.664,43 3.884,44 4.749,45 4.993,46 3.701,47 3.937,48 5.566,49 3.767,50 4.615,51 4.876,52 3.579,53 3.829,54 5.345,55 3.672,56 0.009,57 0.751,58 10.478,59 4.952,60 5.924,61 6.623,62 0.189,63 1.26,64 22.562,65 8.196,66 19.306,67 11.044,68 0.368,69 1.523,70 33.65,71 11.423,72 30.517,73 15.247,74 0.463,75 1.505,76 46.206,77 13.763,78 44.959,79 18.346,80 0.352,81 1.458,82 38.237,83 12.79,84 33.123,85 17.297,86 0.382,87 1.274,88 38.123,89 11.488,90 35.275,91 15.158,92 0.409,93 1.205,94 36.292,95 10.644,96 35.249,97 14.364,98 0.168,99 1.121,100 24.37,101 9.206,102 18.634,103 12.85,104 10,105 44,106 0.257,107 0.539,108 0.702,109 0.804,110 0.835,111 0.835,112 3.407,113 1.005,114 -4.88,115 -4.78,116 -4.49,119 42.6,120 1,125 7,140 8,141 2,142 3,144 2,169 6,172 7,178 12,181 2,182 4,189 7,192 1,193 7,199 8,203 4,211 2,214 1,215 3,222 1,225 1,226 6,237 4,249 3,259 1334,260 19.723,261 19.723,262 19.723,263 19.723,264 19.723,265 17.555,266 20.796,267 11.678,268 20.368,269 15.792,270 15.792,271 15.792,272 15.792,273 15.792,274 12.651,275 24.845,276 5.544,277 16.936,278 4.202,279 2.502,280 1.518,281 0.903,282 0.718,283 0.718,284 4.107,285 2,288 1,289 1,290 849,291 2.915,295 365.118,299 140.502,302 2.095,303 19.163,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.167,315 389,316 4.516,317 3.417,318 6.517,319 4.026,320 3.054,321 4.458,322 0.916,323 10.248,324 2.968,325 4.336,326 3.185,327 6.412,328 3.919,329 2.993,330 3.99,331 0.86,332 9.753,333 2.731,334 3.719,335 2.958,336 5.478,337 3.535,338 2.617,339 3.17,340 0.8,341 7.334,342 2.393,343 3.634,344 2.633,345 5.323,346 3.289,347 2.343,348 2.655,349 0.172,350 6.719,351 2.217,352 3.301,353 2.623,354 5.116,355 3.073,356 2.163,357 2.62,359 6.316,360 1.96,361 3.232,362 2.538,363 4.841,364 2.845,365 1.888,366 2.481,368 5.292,369 1.8,370 3.195,371 2.148,372 4.813,373 2.707,374 1.879,375 2.255,377 5.104,378 1.505,379 2.991,380 1.633,381 4.196,382 2.513,383 1.525,384 2.21,386 3.818,387 1.441,388 2.837,389 1.574,390 3.977,391 2.42,392 1.426,393 1.952,395 3.392,396 1.416,397 2.491,398 1.458,399 3.526,400 2.154,401 1.225,402 1.488,404 2.708,405 1.127,406 2.142,407 1.213,408 3.414,409 1.967,410 1,411 1.086,413 2.275,414 0.965,415 2,416 1.146,417 3.316,418 1.837,419 0.87,420 1,422 2.007,423 0.837,424 1.623,425 0.961,426 3.059,427 1.37,428 0.502,429 0.545,431 1.196,432 0.391,433 1.273,434 0.434,435 2.707,436 0.997,437 0.095,438 0.105,440 0.229,441 0.081,442 1.151,443 0.173,444 2.448,445 0.739,446 -0.235,447 -0.302,449 -0.555,450 -0.227,451 14.462,452 0.499,453 0.661,454 0.023,455 35.5,456 1.224,457 16.5,458 0.569,459 19,460 0.655,461 26.81,462 0.924,463 31.138,464 0.577,465 23.951,466 0.826,467 7.041,468 0.243,469 7.056,470 0.243,471 0.133,473 0.297,479 0.732,480 1.414,481 0.595,482 1.007,483 0.638,484 0.947,485 1.179,486 1.089,487 0.702,488 0.792,489 0.729,490 0.831,491 1.196,492 0.959,493 0.921,494 0.896,495 0.976,496 0.96,497 0.906,498 1.114,499 1.026,500 1.177,501 0.909,502 1.135,503 1.084,504 0.891,505 0.76,506 0.822,507 0.913,508 0.863,509 1.308,510 1.036,511 1.324,512 1.138,513 1.385,514 1.134,515 1.07,516 1.008,517 1.257,518 1.183,519 1.239,520 1.149,521 0.655,522 1.063,523 0.606,524 0.916,525 0.613,526 0.968,527 5.5,528 0.111,529 3.333,530 1.688,531 1.662,532 0.646,533 0.463,534 0.366,535 0.176,536 0.155,537 12798,538 34388,539 2.111,540 46.3,542 22,546 3,550 1.711,551 2,552 3.642,553 -0.785,559 83.871,560 1.553,561 3.253,562 4.237,563 4.852,564 5.037,565 5.037,566 3.083,567 4.444,568 4.834,569 3.873,570 1572.43,571 8.369,572 22814.5,577 310.764,578 1.314,579 4.8,580 0.172,581 0.006,582 0.076,583 0.038,584 0.045,585 0.02,586 0.015,587 0.014,588 0.007,589 0.007,590 0.399,591 0.33,592 1,593 0.506,594 151.376,595 0.006,596 -0.241,597 0.031,598 -0.083,599 -0.001,600 -0.021,601 -0.144,602 0.057,603 0.027,604 0.104,605 0.042,606 0.073,607 -0.087,608 0.108,609 -0.04,610 0.04,611 -0.021,612 -0.026,613 0.142,614 -0.171,615 0.011,616 -0.175,617 0.132,618 -0.143,619 -0.064,620 0.045,621 0.08,622 0.133,623 -0.048,624 0.117,625 -0.137,626 -0.079,627 -0.194,628 -0.134,629 -0.246,630 -0.152,631 -0.031,632 -0.051,633 -0.188,634 -0.192,635 -0.197,636 -0.163,637 0.013,638 -0.087,639 0.068,640 0.018,642 0.015,643 0.923,644 2.586,645 0.759,646 30.069,647 0.998,648 1.122,649 3.646,650 13.295,651 0.691,652 3.497,653 3.807,654 4.06,655 4.29,656 4.511,657 4.477,658 4.5,659 4.625,660 4.682,661 4.644,662 7.935,663 0.644,664 430.41,665 3.497,666 5.03,667 5.872,668 6.737,669 7.591,670 8.458,671 9.316,672 10.184,673 11.044,674 11.911,675 5.6,678 2,685 1,687 2,688 8,689 1,693 5,695 17,712 1,713 2,714 54,716 17,717 2,718 32,720 57,721 23,722 15,723 6,724 6,730 4,731 5,732 2,736 1,745 15,746 8,764 25,765 4,767 6,768 2,773 3,777 0.75,778 1,786 1,793 4,797 1,815 2,819 3,823 1,824 2,827 29,833 7,835 1,838 2,846 2,847 1.9,852 1,854 14.5,855 9.969,856 6.361,857 3.327,858 3.261,859 1.422,860 0.992,861 6.682,862 10.991,863 3.726,864 4.317,865 4.881,866 5.434,867 5.969,868 6.126,869 6.346,870 6.66,871 6.921,872 6.628,873 0.889,874 45,875 10.717,877 4.474,878 7.531,879 21.014,881 17.34,883 2.031,884 58.889,888 294.278,889 124.766,890 23.034,891 78.297,892 11,895 124.766,896 383.575,897 23.034,898 8.825,899 17.227,900 75.81,901 16.786,902 40.153,904 294.278,905 78.297,906 294.278,907 147.8,908 11,909 78.297,911 294.278,912 11,915 37.201,916 93.813,917 95.083,919 294.278,920 34.034,921 203.063,924 294.278,925 40.131,926 90.884,928 106.083,929 294.278,930 34.034,931 203.063,933 0.58,934 0.338,935 0.181,936 0.099,937 21,938 9,939 0.105,940 6,941 1,942 1.091,943 4.217,944 244.799,945 0.091,946 22,947 128.881,951 20.579,952 9.416,953 5.083,954 2.05,955 34.034,956 15.86,957 4.575,961 4.432,964 531.375,965 40.5,975 53.883,976 60.575,977 0.27,978 0.565,979 0.736,980 0.843,981 0.875,982 0.875,983 4.958,984 1.525,985 5.844,986 5.104,987 4.489,988 5.004,989 1.598,990 6.621,991 4.352,992 6.145,993 1.426,994 7.382,995 3.818,996 4.007,997 4.796,998 0.57,999 7.455,1000 3.741,1001 7.441,1002 1.225,1003 9.019,1004 3.392,1005 6.052,1006 7.202,1007 1.256,1008 10.537,1009 5.801,1010 8.771,1011 1,1012 10.716,1013 2.708,1014 6.382,1015 7.849,1016 0.581,1017 12.215,1018 6.014,1019 10.136,1020 0.87,1021 12.451,1022 2.275,1023 7.885,1024 9.739,1025 1.023,1026 14.807,1027 7.526,1028 11.525,1029 0.502,1030 14.213,1031 2.007,1032 8.608,1033 10.807,1034 0.515,1035 16.845,1036 8.156,1037 12.935,1038 0.095,1039 15.996,1040 1.196,1041 9.88,1042 12.472,1043 0.84,1044 19.262,1045 9.419,1046 3.054,1047 -0.235,1048 17.796,1049 0.229,1050 10.798,1051 13.75,1052 0.441,1053 21.455,1054 10.265,1055 2.993,1056 10.248,1057 19.608,1058 -0.555,1059 11.969,1060 15.313,1061 0.689,1062 23.806,1063 11.415,1064 2.617,1065 9.753,1066 21.43,1067 4.458,1068 12.982,1069 16.694,1070 0.373,1071 26.066,1072 12.372,1073 2.343,1074 7.334,1075 23.26,1076 3.99,1077 14.111,1078 18.209,1079 0.564,1080 28.392,1081 13.472,1082 2.163,1083 6.719,1084 25.097,1085 3.17,1086 15.17,1087 19.641,1088 0.314,1089 30.68,1090 14.484,1091 1.888,1092 6.316,1093 26.94,1094 2.655,1095 16.282,1096 21.136,1097 0.461,1098 32.997,1099 15.564,1100 1.879,1101 5.292,1102 28.787,1103 2.62,1104 17.364,1105 22.593,1106 0.264,1107 35.299,1108 16.605,1109 11997,1110 19817,1111 21.671,1112 37.324,1113 47.139,1114 48.316,1115 48.472,1116 47.407,1117 47.159,1118 60.029,1119 5.498,1120 132.781,1121 43.664,1122 5.516,1123 5.417,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 1.776,1129 17.078,1130 4.968,1131 12.691,1132 1.473,1133 1.51,1134 1.515,1135 1.481,1136 1.474,1137 1.876,1138 0.172,1139 4.149,1140 1.364,1141 4.076,1142 4.102,1143 4.108,1144 4,1145 5.026,1146 4.005,1147 3.952,1148 3.99,1149 4.032,1150 3.891,1151 4.997,1152 3.882,1153 3.798,1154 3.853,1155 3.714,1156 3.618,1157 4.632,1158 3.626,1159 3.544,1160 3.591,1161 3.582,1162 3.428,1163 4.581,1164 3.423,1165 3.42,1166 3.489,1167 3.446,1168 3.226,1169 4.358,1170 3.228,1171 3.143,1172 3.211,1173 3.278,1174 2.982,1175 4.226,1176 2.976,1177 3.111,1178 3.206,1179 3.069,1180 2.941,1181 4.115,1182 2.914,1183 3.073,1184 3.153,1185 2.99,1186 2.934,1187 3.893,1188 2.91,1189 0.141,1190 0.107,1191 0.204,1192 0.126,1193 0.095,1194 4.516,1195 0.139,1196 3.417,1197 0.029,1198 6.517,1199 0.32,1200 4.026,1201 0.093,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.912,1214 1.89,1215 2.024,1216 2.045,1217 1.221,1218 2.048,1219 1.758,1220 1.691,1221 1.921,1222 1.916,1223 1.129,1224 1.931,1225 1.535,1226 1.49,1227 1.744,1228 1.703,1229 0.955,1230 1.715,1231 1.399,1232 1.331,1233 1.671,1234 1.612,1235 0.825,1236 1.637,1237 1.153,1238 1.069,1239 1.513,1240 1.376,1241 0.804,1242 1.429,1243 1.134,1244 1.064,1245 1.425,1246 1.352,1247 0.636,1248 1.377,1249 1.104,1250 1.028,1251 1.42,1252 1.301,1253 0.479,1254 1.348,1255 4.174,1257 5.485,1259 6.995,1261 8.597,1263 10.245,1265 2.006,1266 12.623,1271 6.409,1273 6.086,1276 4.849,1280 34.756,1281 83.871,1282 175.667,1283 228.79,1284 262.009,1285 272.009,1286 272.009,1287 41.826,1288 7.73,1289 28.6,1290 28.6,1291 24,1292 12.457,1293 4.17,1294 3.248,1295 45.174,1296 142,1297 115,1298 0.154,1299 219.446,1300 375.41,1301 527.209,1302 28610,1303 3.7,1304 20.217,1305 0.697,1306 0.624,1307 21.217,1308 18.086,1309 14.097,1310 0.441,1311 0.335,1312 9.916,1313 13.105,1314 9.589,1315 7.875,1316 14.675,1317 10.724,1318 12.636,1319 0.287,1320 0.188,1321 13.377,1322 8.256,1323 10.599,1324 0.186,1325 0.107,1326 11.315,1327 6.113,1328 8.714,1329 0.121,1330 0.059,1331 9.431,1332 4.234,1333 7.095,1334 0.079,1335 0.033,1336 7.501,1337 2.98,1338 0.251,1339 93.476,1340 0.215,1341 28.263,1342 0.394,1343 152,1344 401.078,1345 192.799,1346 449.306,1347 600.63,1348 422,1349 177,1350 395.222,1351 211.346,1352 421.284,1353 617.63,1354 397,1355 5} {0 CHEMBL191895,1 1.471,2 14,3 2.948,4 8.691,5 116.11,6 6.887,7 0.531,8 4.134,9 4.263,10 3.635,11 3.642,12 5.178,13 3.615,14 4.681,15 4.873,16 3.973,17 4.03,18 5.642,19 3.983,20 4.945,21 5.159,22 4.031,23 4.197,24 5.922,25 4.109,26 5.044,27 5.298,28 3.856,29 4.181,30 5.871,31 4.034,32 5.005,33 5.289,34 3.725,35 4.081,36 5.742,37 3.922,38 4.866,39 5.132,40 3.663,41 3.981,42 5.656,43 3.834,44 4.795,45 5.062,46 3.62,47 3.925,48 5.586,49 3.785,50 4.757,51 5.015,52 3.561,53 3.882,54 5.598,55 3.74,56 0.058,57 0.839,58 13.057,59 5.154,60 11.18,61 7.177,62 0.203,63 1.35,64 23.941,65 8.131,66 20.424,67 11.852,68 0.426,69 1.646,70 31.984,71 10.913,72 46.377,73 15.777,74 0.352,75 1.663,76 35.949,77 12.938,78 43.384,79 18.732,80 0.374,81 1.556,82 35.243,83 12.109,84 38.269,85 17.873,86 0.396,87 1.393,88 30.403,89 10.372,90 35.646,91 15.372,92 0.286,93 1.333,94 28.113,95 9.475,96 28.868,97 14.172,98 0.295,99 1.255,100 27.122,101 9.351,102 35.124,103 13.64,104 10,105 44,106 0.241,107 0.568,108 0.732,109 0.834,110 0.862,111 0.862,112 3.407,113 0.946,114 -3.41,115 -3.39,116 -3.24,119 40.4,120 1,125 7,140 8,141 2,142 3,144 2,161 1,162 1,163 1,169 7,172 7,176 2,178 7,180 1,181 2,182 6,185 1,186 4,188 1,189 5,191 2,192 1,193 4,197 2,199 5,201 1,203 3,205 1,206 1,211 2,214 1,215 5,218 1,222 1,225 1,226 3,237 3,239 1,240 1,249 5,252 1,259 1371,260 19.67,261 19.67,262 19.67,263 19.67,264 19.67,265 17.53,266 23.835,267 11.629,268 20.144,269 15.798,270 15.798,271 15.798,272 15.798,273 15.798,274 12.671,275 30.808,276 5.553,277 16.582,278 4.362,279 2.37,280 1.368,281 0.75,282 0.575,283 0.575,284 4.107,288 1,289 1,290 886,291 2.915,295 370.833,299 142.916,302 2.207,303 21.023,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 62,315 406,316 4.516,317 3.186,318 6.517,319 4.026,320 3.054,321 4.458,322 0.916,323 10.248,324 2.968,325 4.221,326 3.104,327 5.961,328 3.825,329 2.856,330 3.871,331 0.86,332 8.412,333 2.77,334 3.724,335 2.935,336 5.565,337 3.574,338 2.648,339 3.17,340 0.8,341 7.528,342 2.449,343 3.7,344 2.694,345 5.329,346 3.299,347 2.357,348 2.887,349 0.172,350 6.796,351 2.222,352 3.476,353 2.587,354 5.281,355 3.242,356 2.297,357 2.633,359 6.689,360 2.169,361 3.295,362 2.222,363 4.899,364 2.894,365 1.944,366 2.572,368 5.627,369 1.836,370 3.073,371 2.134,372 4.813,373 2.829,374 1.874,375 2.219,377 5.29,378 1.78,379 2.989,380 1.602,381 4.196,382 2.512,383 1.524,384 2.1,386 3.817,387 1.504,388 2.82,389 1.589,390 4.041,391 2.385,392 1.414,393 1.948,395 3.523,396 1.369,397 2.491,398 1.465,399 3.527,400 2.157,401 1.228,402 1.488,404 2.714,405 1.13,406 2.139,407 1.146,408 3.414,409 1.967,410 1,411 1.082,413 2.275,414 0.965,415 2,416 0.969,417 3.315,418 1.836,419 0.867,420 1,422 2.004,423 0.837,424 1.554,425 0.707,426 3.016,427 1.313,428 0.372,429 0.419,431 0.885,432 0.347,433 1.301,434 0.416,435 2.698,436 1.042,437 0.116,438 0.131,440 0.267,441 0.106,442 1.151,443 0.108,444 2.448,445 0.778,446 -0.169,447 -0.193,449 -0.415,450 -0.159,451 13.767,452 0.475,453 0.677,454 0.023,455 36.5,456 1.259,457 17.5,458 0.603,459 19,460 0.655,461 24.235,462 0.836,463 31.833,464 0.558,465 26.077,466 0.899,467 7.343,468 0.253,469 6.738,470 0.232,471 0.09,473 0.312,479 1.003,480 1.375,481 0.883,482 1.124,483 1.045,484 1.006,485 1.194,486 1.136,487 0.957,488 0.958,489 0.655,490 0.917,491 1.151,492 1.035,493 1.123,494 1.06,495 0.824,496 1.077,497 0.957,498 1.095,499 1.051,500 1.137,501 0.933,502 1.118,503 0.944,504 0.888,505 0.947,506 0.929,507 0.657,508 0.94,509 0.929,510 1.001,511 1.018,512 0.999,513 0.81,514 1.022,515 0.919,516 1.007,517 1.024,518 1.012,519 0.847,520 1.023,521 1.094,522 1.026,523 1.082,524 1.056,525 1.332,526 1.071,527 6,528 0.144,529 3.111,530 1.563,531 1.422,532 0.59,533 0.585,534 0.326,535 0.184,536 0.171,537 13082,538 30888,539 2.111,540 49.1,542 22,545 3,546 3,550 1.71,551 2,552 3.731,553 0.857,555 1,559 83.827,560 1.471,561 3.463,562 4.465,563 5.083,564 5.258,565 5.258,566 3.195,567 4.651,568 4.832,569 3.929,570 1595.25,571 8.363,572 23315.9,574 1,576 1,577 332.475,578 1.314,579 4.8,580 0.188,581 0.008,582 0.071,583 0.036,584 0.041,585 0.019,586 0.02,587 0.012,588 0.007,589 0.008,590 0.408,591 0.33,592 1,593 0.506,594 151.994,595 -0.063,596 -0.146,597 0.051,598 -0.025,599 -0.115,600 0.019,601 -0.129,602 0.014,603 0.019,604 0.049,605 0.047,606 0.058,607 -0.027,608 0.048,609 -0.138,610 -0.07,611 0.093,612 -0.109,613 -0.006,614 -0.145,615 -0.078,616 -0.136,617 -0.027,618 -0.121,619 -0.025,620 0.028,621 0.038,622 0.039,623 -0.029,624 0.045,625 0.034,626 -0.047,627 -0.035,628 -0.025,629 -0.043,630 -0.041,631 -0.046,632 -0.022,633 -0.048,634 -0.046,635 -0.075,636 -0.046,637 -0.08,638 -0.063,639 -0.097,640 -0.077,641 -0.162,642 -0.091,643 1.518,644 3.559,645 0.759,646 31.389,647 0.994,648 1.13,649 2.179,650 4.747,651 0.65,652 3.497,653 3.807,654 4.043,655 4.263,656 4.5,657 4.477,658 4.522,659 4.605,660 4.663,661 4.7,662 8.143,663 0.611,664 392.55,665 3.497,666 5.03,667 5.866,668 6.727,669 7.576,670 8.438,671 9.291,672 10.154,673 11.009,674 11.872,675 7,678 2,679 1,685 1,687 2,688 8,689 1,693 5,695 17,705 1,711 1,712 1,714 57,716 17,717 2,718 32,720 60,721 23,722 15,723 6,724 6,730 4,731 5,736 1,745 15,746 8,761 1,764 28,765 6,766 3,767 6,773 4,777 0.75,778 2,786 1,793 4,797 1,815 2,819 3,823 1,827 29,828 1,832 1,833 7,835 1,838 2,847 3.5,849 1,852 1,854 14.5,855 10.217,856 6.333,857 3.382,858 3.2,859 1.414,860 0.978,861 6.188,862 10.93,863 3.726,864 4.317,865 4.869,866 5.421,867 5.976,868 6.137,869 6.362,870 6.661,871 6.911,872 6.641,873 1,874 44,875 10.721,877 4.494,878 7.592,879 20.936,881 17.274,883 2.092,884 60.667,887 1,888 294.278,889 120.521,890 55.931,892 53.683,895 120.521,896 347.961,897 55.931,898 8.825,899 17.227,900 108.707,901 59.469,902 35.908,904 294.278,906 294.278,907 176.453,908 53.683,911 294.278,912 53.683,915 37.201,916 122.466,917 16.786,919 294.278,920 109.615,921 120.521,924 294.278,925 35.886,926 90.884,928 103.366,929 294.278,930 109.615,931 120.521,933 0.582,934 0.334,935 0.173,936 0.098,937 21,938 9,939 0.1,940 6,941 1,942 1.091,943 4.253,944 242.573,945 0.091,946 22,947 134.881,951 19.956,952 8.992,953 4.99,954 2.044,955 109.615,956 15.61,957 4.569,961 3.644,963 75.581,964 524.414,965 40.5,975 56.665,976 64.394,977 0.252,978 0.594,979 0.765,980 0.871,981 0.901,982 0.901,983 4.958,984 1.524,985 5.838,986 5.29,987 4.489,988 5.004,989 1.598,990 6.6,991 4.397,992 6.145,993 1.414,994 7.367,995 3.817,996 4.007,997 4.796,998 0.57,999 7.38,1000 3.862,1001 7.438,1002 1.228,1003 8.991,1004 3.523,1005 6.043,1006 7.196,1007 1.256,1008 10.441,1009 5.868,1010 8.764,1011 1,1012 10.669,1013 2.714,1014 6.347,1015 7.822,1016 0.581,1017 12.042,1018 6.125,1019 10.122,1020 0.867,1021 12.383,1022 2.275,1023 7.848,1024 9.714,1025 1.023,1026 14.616,1027 7.602,1028 11.503,1029 0.372,1030 14.122,1031 2.004,1032 8.536,1033 10.76,1034 0.515,1035 16.594,1036 8.252,1037 12.903,1038 0.116,1039 15.88,1040 0.885,1041 9.804,1042 12.429,1043 0.84,1044 18.996,1045 9.496,1046 3.054,1047 -0.169,1048 17.653,1049 0.267,1050 10.689,1051 13.693,1052 0.441,1053 21.153,1054 10.35,1055 2.856,1056 10.248,1057 19.439,1058 -0.415,1059 11.852,1060 15.258,1061 0.689,1062 23.495,1063 11.49,1064 2.648,1065 8.412,1066 21.236,1067 4.458,1068 12.838,1069 16.632,1070 0.373,1071 25.738,1072 12.448,1073 2.357,1074 7.528,1075 23.042,1076 3.871,1077 13.956,1078 18.15,1079 0.564,1080 28.06,1081 13.543,1082 2.297,1083 6.796,1084 24.856,1085 3.17,1086 14.994,1087 19.579,1088 0.314,1089 30.344,1090 14.555,1091 1.944,1092 6.689,1093 26.677,1094 2.887,1095 16.094,1096 21.077,1097 0.461,1098 32.663,1099 15.632,1100 1.874,1101 5.627,1102 28.505,1103 2.633,1104 17.159,1105 22.535,1106 0.264,1107 34.967,1108 16.672,1109 12262,1110 18948,1111 21.671,1112 37.069,1113 47.157,1114 47.612,1115 48.247,1116 47.114,1117 47.101,1118 59.957,1119 5.498,1120 132.152,1121 44.902,1122 5.516,1123 5.186,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 1.776,1129 17.078,1130 4.968,1131 12.949,1132 1.474,1133 1.488,1134 1.508,1135 1.472,1136 1.472,1137 1.874,1138 0.172,1139 4.13,1140 1.403,1141 4.077,1142 4.102,1143 4.038,1144 3.999,1145 6.471,1146 4.005,1147 3.957,1148 3.999,1149 3.893,1150 3.864,1151 5.062,1152 3.867,1153 3.803,1154 3.863,1155 3.696,1156 3.616,1157 5.013,1158 3.626,1159 3.545,1160 3.592,1161 3.446,1162 3.428,1163 4.582,1164 3.423,1165 3.426,1166 3.495,1167 3.286,1168 3.228,1169 4.481,1170 3.233,1171 3.183,1172 3.252,1173 3.057,1174 2.992,1175 4.318,1176 2.998,1177 3.111,1178 3.206,1179 2.921,1180 2.941,1181 4.213,1182 2.922,1183 3.08,1184 3.158,1185 2.866,1186 2.938,1187 3.884,1188 2.91,1189 0.141,1190 0.1,1191 0.204,1192 0.126,1193 0.095,1194 4.516,1195 0.139,1196 3.186,1197 0.029,1198 6.517,1199 0.32,1200 4.026,1201 0.093,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.34,1212 2.12,1213 1.918,1214 1.889,1215 2.045,1216 2.059,1217 1.22,1218 2.059,1219 1.759,1220 1.692,1221 1.944,1222 1.952,1223 1.125,1224 1.953,1225 1.535,1226 1.49,1227 1.744,1228 1.706,1229 0.953,1230 1.716,1231 1.4,1232 1.332,1233 1.67,1234 1.617,1235 0.825,1236 1.639,1237 1.153,1238 1.083,1239 1.513,1240 1.4,1241 0.804,1242 1.429,1243 1.144,1244 1.064,1245 1.425,1246 1.376,1247 0.61,1248 1.409,1249 1.106,1250 1.032,1251 1.411,1252 1.303,1253 0.479,1254 1.349,1255 4.174,1257 5.485,1259 6.989,1261 8.582,1263 10.22,1265 2.003,1269 5.798,1270 9.559,1271 6.505,1273 6.076,1276 4.858,1280 34.837,1281 83.827,1282 197.378,1283 254.501,1284 289.72,1285 299.72,1286 299.72,1287 43.393,1288 7.73,1289 74.85,1290 74.85,1291 24,1292 12.422,1293 4.17,1294 3.248,1295 45.214,1296 145,1297 125,1298 0.15,1299 213.571,1300 364.78,1301 512.874,1302 28610,1304 20.217,1305 0.697,1306 0.581,1307 20.217,1308 16.843,1309 14.081,1310 0.44,1311 0.315,1312 9.959,1313 13.571,1314 9.703,1315 8.01,1316 14.081,1317 10.096,1318 12.72,1319 0.289,1320 0.174,1321 12.72,1322 7.635,1323 10.586,1324 0.189,1325 0.097,1326 10.586,1327 5.459,1328 8.458,1329 0.121,1330 0.054,1331 8.458,1332 3.771,1333 7.069,1334 0.079,1335 0.03,1336 7.069,1337 2.712,1338 0.246,1339 87.89,1340 0.215,1341 28.392,1342 0.381,1343 152,1344 390.133,1345 164.89,1346 380.245,1347 525.07,1348 358,1349 176,1350 388.372,1351 189.974,1352 395.532,1353 575.54,1354 372,1355 8.8} {0 CHEMBL191921,1 1.394,2 14.161,3 4.148,4 17.208,5 123.637,6 6.993,7 0.629,8 4.169,9 4.292,10 3.706,11 3.733,12 5.165,13 3.698,14 4.731,15 4.92,16 4.042,17 4.125,18 5.658,19 4.072,20 4.984,21 5.202,22 4.097,23 4.291,24 5.853,25 4.199,26 5.056,27 5.298,28 3.971,29 4.282,30 5.845,31 4.141,32 5.069,33 5.343,34 3.848,35 4.198,36 5.801,37 4.047,38 4.931,39 5.189,40 3.766,41 4.113,42 5.676,43 3.962,44 4.894,45 5.161,46 3.704,47 4.064,48 5.63,49 3.911,50 4.822,51 5.091,52 3.61,53 3.99,54 5.546,55 3.829,56 0.044,57 0.861,58 12.908,59 5.453,60 8.357,61 7.502,62 0.219,63 1.448,64 24.617,65 8.644,66 21.339,67 12.284,68 0.375,69 1.778,70 32.6,71 11.704,72 30.612,73 16.624,74 0.279,75 1.802,76 35.391,77 13.888,78 30.114,79 19.711,80 0.368,81 1.773,82 37.238,83 13.537,84 34.311,85 19.378,86 0.307,87 1.583,88 31.787,89 11.854,90 27.618,91 17.051,92 0.282,93 1.545,94 30.73,95 11.223,96 26.626,97 16.303,98 0.244,99 1.43,100 28.517,101 10.626,102 23.83,103 15.45,104 2,105 48,106 0.225,107 0.51,108 0.698,109 0.82,110 0.858,111 0.863,112 3.471,113 0.945,114 -3.61,115 -3.58,116 -3.41,119 44.1,120 1,125 7,140 10,141 3,142 1,143 1,144 3,169 10,172 10,178 11,181 2,182 9,189 9,192 1,193 6,199 8,202 1,203 5,211 3,214 1,215 5,222 1,225 1,226 4,236 1,237 5,249 5,259 1596,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 18.986,266 20.284,267 12.918,268 22.071,269 17.329,270 17.329,271 17.329,272 17.329,273 17.329,274 13.509,275 26.522,276 6.155,277 18.104,278 4.488,279 2.718,280 1.546,281 0.792,282 0.555,283 0.521,284 4.189,288 1,289 1,290 985,291 2.915,295 441.011,299 293.99,302 2.21,303 15.277,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 439,316 4.516,317 3.192,318 6.517,319 4.032,320 3.054,321 4.458,322 0.916,323 10.248,324 3.006,325 4.497,326 3.179,327 6.515,328 4.026,329 3.046,330 4.431,331 0.86,332 10.241,333 2.968,334 3.722,335 2.928,336 5.537,337 3.57,338 2.646,339 3.17,340 0.8,341 7.499,342 2.443,343 3.69,344 2.639,345 5.326,346 3.293,347 2.349,348 2.948,349 0.172,350 6.749,351 2.219,352 3.479,353 2.556,354 5.269,355 3.196,356 2.259,357 2.636,359 6.653,360 2.117,361 3.296,362 2.158,363 4.968,364 2.886,365 1.934,366 2.594,368 5.675,369 1.832,370 3.118,371 2.081,372 4.813,373 2.829,374 1.875,375 2.427,377 5.291,378 1.781,379 3.109,380 1.618,381 4.196,382 2.614,383 1.618,384 2.221,386 3.818,387 1.612,388 2.99,389 1.602,390 4.142,391 2.512,392 1.524,393 2.139,395 3.768,396 1.504,397 2.766,398 1.466,399 3.594,400 2.255,401 1.273,402 1.897,404 2.834,405 1.249,406 2.493,407 1.278,408 3.527,409 2.161,410 1.23,411 1.491,413 2.715,414 1.135,415 2.342,416 1.146,417 3.414,418 1.967,419 1,420 1.278,422 2.275,423 0.965,424 2.132,425 1.027,426 3.356,427 1.889,428 0.922,429 1.071,431 2.15,432 0.889,433 2,434 0.953,435 3.291,436 1.814,437 0.849,438 1,440 1.964,441 0.816,442 1.418,443 0.477,444 2.899,445 1.189,446 0.246,447 0.276,449 0.6,450 0.23,451 14.933,452 0.482,453 0.585,454 0.019,455 41,456 1.323,457 20.5,458 0.661,459 20.5,460 0.661,461 25.669,462 0.828,463 32.467,464 0.55,465 28.472,466 0.918,467 8.169,468 0.264,469 7.091,470 0.229,471 0.033,473 0.288,479 0.876,480 1.38,481 0.823,482 1.121,483 0.807,484 0.992,485 1.495,486 1.083,487 0.992,488 0.903,489 0.987,490 0.891,491 1.349,492 0.95,493 1.088,494 0.954,495 1.084,496 0.985,497 0.911,498 1.124,499 1.038,500 1.16,501 0.844,502 1.125,503 1.257,504 0.891,505 1.005,506 0.926,507 1.13,508 0.945,509 1.048,510 1.055,511 1.063,512 1.06,513 1.034,514 1.068,515 1.032,516 1.008,517 1.066,518 1.021,519 1.104,520 1.043,521 0.893,522 1.021,523 1.046,524 1.049,525 0.993,526 1.06,527 5,528 0.115,529 3.111,530 1.563,531 1.444,532 0.625,533 0.443,534 0.3,535 0.208,536 0.145,537 16325,538 35443,539 2.2,540 47.5,542 24,544 1,546 3,550 1.728,551 2.138,552 3.73,553 -0.831,555 1,559 82.259,560 1.394,561 3.165,562 4.337,563 5.09,564 5.327,565 5.361,566 3.168,567 4.672,568 4.931,569 3.949,570 1836.2,571 8.561,572 28061.9,574 1,577 347.076,578 1.058,579 4.918,580 0.143,581 0.005,582 0.065,583 0.032,584 0.035,585 0.017,586 0.013,587 0.01,588 0.007,589 0.006,590 0.334,591 0.5,592 0.88,593 0.32,594 165.474,595 0.047,596 -0.234,597 0.088,598 -0.087,599 0.057,600 -0.012,601 -0.168,602 0.041,603 -0.01,604 0.057,605 0.019,606 0.045,607 -0.074,608 0.111,609 -0.099,610 0.011,611 -0.009,612 -0.035,613 0.062,614 -0.168,615 -0.063,616 -0.158,617 0.095,618 -0.129,619 -0.062,620 0.043,621 0.008,622 0.047,623 -0.104,624 0.034,625 -0.002,626 -0.098,627 -0.073,628 -0.079,629 -0.109,630 -0.084,631 -0.056,632 -0.036,633 -0.075,634 -0.052,635 -0.16,636 -0.065,637 -0.015,638 -0.059,639 -0.061,640 -0.072,641 -0.112,642 -0.073,643 0.804,644 2.63,645 0.839,646 33.178,647 0.989,648 1.122,649 2.377,650 5.652,651 0.671,652 3.584,653 3.892,654 4.174,655 4.443,656 4.691,657 4.682,658 4.762,659 4.875,660 4.97,661 4.942,662 8.345,663 0.629,664 412.58,665 3.584,666 5.118,667 5.969,668 6.838,669 7.701,670 8.574,671 9.441,672 10.315,673 11.182,674 12.057,675 6.8,678 2,685 2,687 4,688 11,689 2,693 3,695 22,712 1,714 59,716 22,717 2,718 35,720 63,721 26,722 18,723 6,724 6,730 5,731 7,736 1,745 18,746 8,761 1,764 28,765 5,767 5,773 4,777 0.6,778 1,786 2,793 5,797 2,815 2,819 3,823 1,827 31,833 7,835 1,838 2,847 1.7,852 1,854 14.5,855 10.883,856 6.778,857 3.678,858 4.432,859 1.536,860 1.019,861 5.902,862 12.702,863 3.85,864 4.466,865 5.091,866 5.705,867 6.288,868 6.51,869 6.834,870 7.168,871 7.469,872 7.109,873 1,874 49,875 11.467,877 4.821,878 7.425,879 22.726,881 18.979,883 1.925,884 59.667,887 1,888 329.591,889 150.482,890 39.82,892 11,895 150.482,896 340.591,897 39.82,898 8.825,899 17.227,900 94.762,901 45.342,902 46.916,904 317.82,906 329.591,907 190.301,908 11,911 329.591,912 11,915 48.393,916 108.337,917 33.571,919 329.591,920 50.82,921 150.482,924 329.591,925 37.847,926 118.884,928 44.571,929 329.591,930 50.82,931 150.482,933 0.575,934 0.338,935 0.19,936 0.106,937 24,938 9,939 0.095,940 6,941 2,942 1.154,943 4.482,944 275.56,945 0.154,946 26,947 147.58,951 20.081,952 9.111,953 4.595,954 4.424,955 50.82,956 22.74,957 9.08,961 3.317,964 530.892,965 46,975 58.338,976 66.185,977 0.237,978 0.538,979 0.737,980 0.865,981 0.906,982 0.911,983 5.072,984 1.618,985 5.927,986 5.291,987 4.575,988 5.153,989 1.598,990 6.708,991 4.494,992 6.26,993 1.524,994 7.459,995 3.818,996 4.007,997 4.902,998 0.57,999 7.535,1000 3.887,1001 7.556,1002 1.273,1003 9.091,1004 3.768,1005 6.133,1006 7.402,1007 1.256,1008 10.641,1009 5.981,1010 8.889,1011 1.23,1012 10.786,1013 2.834,1014 6.415,1015 8.056,1016 0.581,1017 12.342,1018 6.237,1019 10.259,1020 1,1021 12.522,1022 2.715,1023 7.966,1024 9.995,1025 1.023,1026 14.944,1027 7.76,1028 11.657,1029 0.922,1030 14.287,1031 2.275,1032 8.668,1033 11.095,1034 0.515,1035 17.009,1036 8.447,1037 13.076,1038 0.849,1039 16.075,1040 2.15,1041 9.965,1042 12.788,1043 0.84,1044 19.437,1045 9.72,1046 3.054,1047 0.246,1048 17.879,1049 1.964,1050 10.877,1051 14.101,1052 0.441,1053 21.654,1054 10.622,1055 3.046,1056 10.248,1057 19.697,1058 0.6,1059 12.063,1060 15.683,1061 0.689,1062 24.02,1063 11.787,1064 2.646,1065 10.241,1066 21.524,1067 4.458,1068 13.078,1069 17.095,1070 0.373,1071 26.3,1072 12.79,1073 2.349,1074 7.499,1075 23.361,1076 4.431,1077 14.216,1078 18.627,1079 0.564,1080 28.641,1081 13.911,1082 2.259,1083 6.749,1084 25.204,1085 3.17,1086 15.28,1087 20.083,1088 0.314,1089 30.948,1090 14.962,1091 1.934,1092 6.653,1093 27.052,1094 2.948,1095 16.4,1096 21.592,1097 0.461,1098 33.28,1099 16.064,1100 1.875,1101 5.675,1102 28.906,1103 2.636,1104 17.488,1105 23.068,1106 0.264,1107 35.598,1108 17.138,1109 14830,1110 21977,1111 24.444,1112 39.614,1113 51.706,1114 51.995,1115 52.442,1116 51.671,1117 51.649,1118 68.073,1119 5.498,1120 144.958,1121 49.532,1122 5.516,1123 5.192,1124 6.206,1125 5.107,1126 5.054,1127 7.458,1128 1.776,1129 17.083,1130 5.006,1131 7.848,1132 1.477,1133 1.486,1134 1.498,1135 1.476,1136 1.476,1137 1.945,1138 0.157,1139 4.142,1140 1.415,1141 4.097,1142 4.127,1143 4.053,1144 4.023,1145 5.023,1146 4.027,1147 4.055,1148 4.08,1149 4.017,1150 3.986,1151 4.985,1152 3.99,1153 3.831,1154 3.904,1155 3.717,1156 3.631,1157 4.581,1158 3.643,1159 3.549,1160 3.598,1161 3.45,1162 3.429,1163 4.42,1164 3.425,1165 3.479,1166 3.537,1167 3.374,1168 3.367,1169 4.325,1170 3.361,1171 3.397,1172 3.458,1173 3.258,1174 3.222,1175 4.221,1176 3.222,1177 3.161,1178 3.226,1179 3.037,1180 3.008,1181 3.97,1182 3.005,1183 3.111,1184 3.206,1185 2.918,1186 2.942,1187 3.872,1188 2.925,1189 0.129,1190 0.091,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.192,1197 0.026,1198 6.517,1199 0.293,1200 4.032,1201 0.086,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 3.006,1207 2.047,1208 2.023,1209 2.131,1210 2.137,1211 1.355,1212 2.137,1213 2.032,1214 2.011,1215 2.107,1216 2.123,1217 1.239,1218 2.119,1219 1.779,1220 1.706,1221 1.982,1222 2,1223 1.216,1224 2.001,1225 1.536,1226 1.491,1227 1.746,1228 1.713,1229 0.97,1230 1.722,1231 1.476,1232 1.426,1233 1.687,1234 1.635,1235 0.825,1236 1.658,1237 1.388,1238 1.323,1239 1.633,1240 1.569,1241 0.804,1242 1.593,1243 1.153,1244 1.09,1245 1.513,1246 1.376,1247 0.72,1248 1.429,1249 1.152,1250 1.064,1251 1.425,1252 1.357,1253 0.598,1254 1.381,1255 4.263,1257 5.572,1259 7.089,1261 8.702,1263 10.363,1265 2.018,1271 6.924,1273 6.13,1276 5.034,1280 37.122,1281 82.259,1282 186.706,1283 255.882,1284 300.321,1285 314.321,1286 316.321,1287 37.024,1288 8.27,1289 41.49,1290 41.49,1291 30,1292 12.598,1293 4.524,1294 3.585,1295 44.097,1296 160,1297 133,1298 0.132,1299 225.104,1300 379.35,1301 541.013,1302 58022,1304 21.045,1305 0.679,1306 0.581,1307 21.045,1308 17.998,1309 15.259,1310 0.436,1311 0.315,1312 10.899,1313 14.782,1314 10.622,1315 8.759,1316 15.259,1317 11.027,1318 13.486,1319 0.281,1320 0.171,1321 13.486,1322 8.229,1323 11.572,1324 0.181,1325 0.095,1326 11.572,1327 6.091,1328 9.906,1329 0.118,1330 0.052,1331 9.906,1332 4.356,1333 8.393,1334 0.078,1335 0.029,1336 8.393,1337 3.167,1338 0.217,1339 94.55,1340 0.202,1341 29.911,1342 0.337,1343 166,1344 402.316,1345 177.481,1346 394.652,1347 558.43,1348 376,1349 195,1350 420.962,1351 207.758,1352 429.271,1353 629.51,1354 406,1355 8.6} {0 CHEMBL191971,1 1.514,2 13.694,3 4.864,4 23.655,5 145.41,6 7.782,7 0.561,8 4.265,9 4.386,10 3.888,11 3.857,12 5.311,13 3.828,14 4.822,15 4.999,16 4.28,17 4.289,18 5.82,19 4.239,20 5.09,21 5.289,22 4.392,23 4.484,24 6.038,25 4.398,26 5.179,27 5.39,28 4.396,29 4.512,30 6.15,31 4.403,32 5.22,33 5.454,34 4.385,35 4.469,36 6.21,37 4.358,38 5.083,39 5.295,40 4.29,41 4.374,42 6.111,43 4.283,44 5.033,45 5.241,46 4.251,47 4.34,48 6.055,49 4.244,50 5.08,51 5.323,52 4.055,53 4.28,54 6.021,55 4.151,56 0.025,57 0.949,58 12.298,59 5.546,60 8.393,61 7.395,62 0.314,63 1.614,64 24.844,65 9.324,66 24.28,67 12.757,68 0.325,69 1.987,70 35.785,71 13.336,72 29.474,73 18.115,74 0.246,75 2.075,76 40.361,77 15.736,78 41.023,79 21.242,80 0.442,81 2.066,82 50.067,83 16.219,84 62.865,85 21.792,86 0.486,87 1.88,88 41.851,89 13.255,90 52.657,91 17.673,92 0.383,93 1.83,94 34.487,95 12.652,96 50.399,97 17.108,98 0.383,99 1.82,100 40.941,101 14.062,102 56.836,103 19.018,104 10,105 59,106 0.238,107 0.558,108 0.73,109 0.84,110 0.85,111 0.855,112 3.616,113 0.931,114 -5.1,115 -4.99,116 -4.68,119 45.3,121 1,124 1,125 5,140 10,141 5,142 4,143 2,157 1,169 14,171 1,172 6,174 2,176 2,178 19,181 1,182 4,186 3,189 20,192 1,193 9,197 6,199 14,203 12,208 3,211 7,214 1,215 11,218 1,220 2,222 8,225 1,226 8,231 1,233 11,237 8,240 1,244 12,248 1,249 3,252 1,256 11,259 2342,260 24.792,261 24.792,262 24.792,263 24.792,264 24.792,265 21.967,266 25.942,267 14.498,268 25.341,269 20.257,270 20.257,271 20.257,272 20.257,273 20.257,274 15.943,275 39.168,276 6.891,277 21.158,278 4.486,279 2.456,280 1.362,281 0.668,282 0.606,283 0.574,284 4.335,285 1,289 1,290 1108,291 3.162,294 78.129,295 485.383,298 141.911,299 153.59,302 1.989,303 24.238,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 75.833,315 493,316 4.637,317 3.758,318 6.81,319 4.209,320 3.235,321 4.581,322 1.701,323 11.263,324 3.188,325 4.504,326 3.371,327 6.74,328 4.157,329 3.183,330 4.138,331 0.8,332 11.003,333 3.062,334 4.092,335 3.2,336 6.393,337 3.814,338 2.884,339 3.611,340 0.8,341 9.737,342 2.675,343 4.004,344 2.969,345 6.081,346 3.632,347 2.647,348 3.362,349 0.563,350 8.769,351 2.596,352 3.672,353 2.751,354 5.633,355 3.375,356 2.432,357 2.999,358 0.075,359 7.334,360 2.305,361 3.467,362 2.64,363 5.217,364 3.21,365 2.257,366 2.746,368 6.314,369 2.117,370 3.369,371 2.422,372 5.146,373 2.989,374 2.021,375 2.635,377 6.03,378 1.958,379 3.271,380 2.111,381 4.865,382 2.772,383 1.822,384 2.463,386 5.256,387 1.753,388 3.089,389 1.918,390 4.558,391 2.708,392 1.779,393 2.226,395 4.48,396 1.569,397 2.807,398 1.792,399 4.443,400 2.46,401 1.485,402 1.955,404 4.264,405 1.441,406 2.731,407 1.536,408 3.981,409 2.304,410 1.322,411 1.841,413 3.085,414 1.298,415 2.709,416 1.324,417 3.709,418 2.219,419 1.245,420 1.733,422 2.923,423 1.208,424 2.5,425 1.247,426 3.6,427 2.099,428 1.135,429 1.5,431 2.796,432 1.079,433 2.409,434 1.146,435 3.596,436 1.984,437 1,438 1.377,440 2.275,441 0.983,442 2.282,443 1.043,444 3.445,445 1.967,446 1,447 1.185,449 2.208,450 0.965,451 17.548,452 0.487,453 0.849,454 0.024,455 49.25,456 1.368,457 25,458 0.694,459 24.25,460 0.674,461 32.26,462 0.896,463 37.052,464 0.579,465 39.15,466 1.088,467 9.611,468 0.267,469 7.969,470 0.221,471 0.088,473 0.353,479 0.742,480 1.355,481 0.654,482 0.985,483 0.544,484 0.899,485 0.894,486 0.959,487 0.763,488 0.779,489 0.539,490 0.817,491 0.97,492 0.972,493 0.917,494 0.951,495 0.816,496 0.966,497 0.937,498 1.122,499 0.932,500 1.094,501 1.091,502 1.068,503 1.302,504 0.988,505 1.189,506 1.002,507 1.435,508 0.94,509 1.4,510 0.987,511 1.281,512 1.045,513 1.471,514 1.005,515 0.984,516 1.108,517 0.902,518 1.099,519 1.106,520 1.089,521 1.271,522 1.006,523 1.109,524 1.059,525 1.543,526 1.046,527 6,528 0.197,529 4.667,530 2.632,531 2.209,532 1.389,533 1.054,534 0.51,535 0.439,536 0.354,537 20840,538 49828,539 2.185,540 43.8,542 23,544 2,545 1,547 2,550 1.775,551 2.077,552 3.723,553 -0.41,559 96.903,560 1.514,561 3.544,562 4.638,563 5.332,564 5.394,565 5.426,566 3.206,567 4.67,568 5.142,569 3.864,570 2434.63,571 9.041,572 38090.5,577 384,578 1.301,579 5.116,580 0.146,581 0.005,582 0.079,583 0.042,584 0.037,585 0.024,586 0.019,587 0.01,588 0.01,589 0.009,590 0.381,591 0.5,592 0.75,593 0.442,594 195.701,595 -0.009,596 -0.213,597 0.047,598 -0.053,599 -0.006,600 0.002,601 0.041,602 0.179,603 0.027,604 0.134,605 0.073,606 0.085,607 -0.05,608 0.076,609 -0.032,610 0.008,611 -0.019,612 -0.015,613 0.004,614 -0.148,615 0.003,616 -0.099,617 -0.008,618 -0.082,619 -0.057,620 -0.039,621 0.006,622 0.013,623 -0.053,624 0.056,625 -0.072,626 0.027,627 -0.142,628 -0.065,629 -0.079,630 -0.052,631 0.073,632 -0.09,633 -0.031,634 -0.142,635 0.089,636 -0.136,637 -0.101,638 -0.058,639 -0.097,640 -0.069,641 -0.108,642 -0.056,643 1.79,644 6.545,645 0.861,646 39.565,647 0.996,648 1.119,649 3.865,650 14.941,651 0.695,652 3.738,653 4.094,654 4.431,655 4.745,656 5.024,657 5.147,658 5.333,659 5.476,660 5.602,661 5.717,662 7.759,663 0.656,664 498.07,665 3.738,666 5.303,667 6.184,668 7.084,669 7.982,670 8.888,671 9.792,672 10.701,673 11.609,674 12.52,675 7.8,678 1,681 1,682 2,685 1,687 2,688 12,689 1,693 7,695 23,709 1,713 1,714 64,716 24,717 3,718 41,720 69,721 29,722 21,723 8,724 8,730 6,731 8,732 1,735 1,740 1,743 1,745 22,746 7,750 1,755 1,759 1,764 28,765 6,766 1,767 7,768 1,773 5,777 0.667,778 1,786 1,792 1,793 5,796 1,797 1,815 1,819 4,823 1,824 1,827 36,833 6,834 1,838 3,846 1,847 1.6,850 1,854 17.333,855 11.86,856 7.75,857 3.936,858 4.089,859 1.461,860 1.041,861 6.3,862 12.962,863 3.998,864 4.62,865 5.248,866 5.875,867 6.474,868 6.797,869 7.242,870 7.643,871 8.003,872 8.25,873 1,874 63,875 13.344,877 5.794,878 7.563,879 26.04,881 22.211,883 2.063,884 74.278,888 317.82,889 165.066,890 44.169,891 39.149,892 25.145,895 165.066,896 382.113,897 44.169,898 8.396,899 34.198,900 94.762,901 65.473,902 50.817,903 4.276,904 294.278,905 39.149,906 317.82,907 209.235,908 25.145,909 39.149,911 294.278,912 48.687,915 55.417,916 137.032,917 55.934,919 317.82,920 69.314,921 204.215,924 317.82,925 43.812,926 130.627,927 18.011,928 81.079,929 317.82,930 69.314,931 204.215,933 0.587,934 0.353,935 0.2,936 0.114,937 31,938 13,939 0.043,940 3,941 2,942 1.129,943 4.628,944 369.347,945 0.129,946 31,947 175.362,951 23.292,952 9.737,953 4.466,954 2.098,955 69.314,956 23.977,957 4.139,961 6.85,963 18.011,964 591.349,965 53.5,970 13.545,974 -0.123,975 63.763,976 71.627,977 0.252,978 0.591,979 0.773,980 0.889,981 0.899,982 0.904,983 5.256,984 1.822,985 6.176,986 6.03,987 4.779,988 5.308,989 2.123,990 7.029,991 4.698,992 6.462,993 1.779,994 7.757,995 5.256,996 4.369,997 5.112,998 1.494,999 8.003,1000 4.228,1001 7.777,1002 1.485,1003 9.442,1004 4.48,1005 6.409,1006 7.526,1007 2.583,1008 11.147,1009 6.259,1010 9.128,1011 1.322,1012 11.187,1013 4.264,1014 6.847,1015 8.192,1016 2.523,1017 12.966,1018 6.649,1019 10.515,1020 1.245,1021 12.973,1022 3.085,1023 8.34,1024 10.077,1025 3.406,1026 15.621,1027 8.13,1028 11.927,1029 1.135,1030 14.785,1031 2.923,1032 9.166,1033 11.161,1034 3.619,1035 17.776,1036 8.919,1037 13.359,1038 1,1039 16.617,1040 2.796,1041 10.444,1042 12.824,1043 4.362,1044 20.265,1045 10.181,1046 3.235,1047 1,1048 18.464,1049 2.275,1050 11.449,1051 14.117,1052 4.719,1053 22.559,1054 11.157,1055 3.183,1056 11.263,1057 20.321,1058 2.208,1059 12.644,1060 15.684,1061 5.373,1062 24.989,1063 12.334,1064 2.884,1065 11.003,1066 22.186,1067 4.581,1068 13.73,1069 17.083,1070 5.808,1071 27.342,1072 13.396,1073 2.647,1074 9.737,1075 24.059,1076 4.138,1077 14.895,1078 18.609,1079 6.409,1080 29.753,1081 14.542,1082 2.432,1083 8.769,1084 25.936,1085 3.611,1086 16.018,1087 20.061,1088 6.887,1089 32.133,1090 15.644,1091 2.257,1092 7.334,1093 27.819,1094 3.362,1095 17.175,1096 21.572,1097 7.458,1098 34.538,1099 16.782,1100 2.021,1101 6.314,1102 29.704,1103 2.999,1104 18.316,1105 23.051,1106 7.96,1107 36.932,1108 17.903,1109 18995,1110 29539,1111 28.145,1112 44.478,1113 62.853,1114 63.776,1115 64.001,1116 62.506,1117 62.284,1118 80.587,1119 7.88,1120 184.101,1121 59.618,1122 5.637,1123 5.758,1124 6.612,1125 5.277,1126 5.235,1127 7.581,1128 2.972,1129 18.708,1130 5.188,1131 14.017,1132 1.533,1133 1.556,1134 1.561,1135 1.525,1136 1.519,1137 1.966,1138 0.192,1139 4.49,1140 1.454,1141 4.132,1142 4.155,1143 4.11,1144 4.085,1145 7.429,1146 4.083,1147 4.024,1148 4.056,1149 4.048,1150 3.943,1151 4.97,1152 3.946,1153 3.808,1154 3.87,1155 3.745,1156 3.708,1157 4.915,1158 3.711,1159 3.787,1160 3.84,1161 3.681,1162 3.592,1163 4.811,1164 3.603,1165 3.529,1166 3.573,1167 3.609,1168 3.387,1169 4.412,1170 3.391,1171 3.423,1172 3.476,1173 3.384,1174 3.293,1175 4.361,1176 3.294,1177 3.25,1178 3.308,1179 3.199,1180 3.049,1181 4.329,1182 3.069,1183 3.123,1184 3.216,1185 3.089,1186 2.941,1187 3.996,1188 2.91,1189 0.113,1190 0.092,1191 0.166,1192 0.103,1193 0.079,1194 4.637,1195 0.112,1196 3.758,1197 0.041,1198 6.81,1199 0.275,1200 4.209,1201 0.078,1202 3.235,1203 4.581,1204 1.701,1205 11.263,1206 3.188,1207 2.097,1208 2.081,1209 2.165,1210 2.152,1211 1.329,1212 2.157,1213 1.914,1214 1.888,1215 2.021,1216 2.05,1217 1.31,1218 2.049,1219 1.783,1220 1.747,1221 1.9,1222 1.908,1223 1.16,1224 1.908,1225 1.709,1226 1.642,1227 1.89,1228 1.877,1229 0.984,1230 1.886,1231 1.535,1232 1.48,1233 1.732,1234 1.767,1235 0.937,1236 1.757,1237 1.445,1238 1.394,1239 1.632,1240 1.586,1241 0.825,1242 1.606,1243 1.209,1244 1.145,1245 1.536,1246 1.474,1247 0.68,1248 1.495,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.643,1254 1.429,1255 4.419,1257 5.765,1258 2.398,1259 7.317,1260 4.727,1261 8.961,1262 6.843,1263 10.654,1265 2.14,1266 6.687,1271 5.29,1272 3.187,1276 6.487,1280 41.971,1281 96.903,1282 226.793,1283 296.807,1284 341.245,1285 345.245,1286 347.245,1287 52.348,1288 8.873,1289 51.71,1290 51.71,1291 35,1292 13.035,1293 4.644,1294 3.755,1295 49.052,1296 169,1297 177,1298 0.141,1299 255.76,1300 439.82,1301 615.814,1302 104719,1303 1.6,1304 24.648,1305 0.685,1306 0.583,1307 25.148,1308 21.002,1309 17.581,1310 0.429,1311 0.31,1312 12.241,1313 16.779,1314 11.92,1315 9.802,1316 17.869,1317 12.727,1318 16.022,1319 0.272,1320 0.168,1321 16.393,1322 9.904,1323 14.204,1324 0.171,1325 0.091,1326 14.536,1327 7.592,1328 12.353,1329 0.108,1330 0.049,1331 12.709,1332 5.577,1333 10.474,1334 0.069,1335 0.027,1336 10.795,1337 4.004,1338 0.222,1339 111.953,1340 0.188,1341 32.826,1342 0.383,1343 200,1344 500.852,1345 228.252,1346 525.048,1347 727.83,1348 494,1349 242,1350 527.964,1351 267.908,1352 549.497,1353 812.41,1354 519,1355 8.699} {0 CHEMBL191980,1 1.553,2 14,3 5.291,4 27.993,5 119.325,6 7.971,7 0.531,8 4.078,9 4.193,10 3.714,11 3.661,12 5.077,13 3.618,14 4.646,15 4.83,16 4.09,17 4.057,18 5.597,19 3.994,20 4.905,21 5.111,22 4.249,23 4.231,24 5.847,25 4.12,26 4.965,27 5.21,28 3.952,29 4.174,30 5.762,31 4.016,32 4.938,33 5.207,34 3.81,35 4.065,36 5.686,37 3.905,38 4.799,39 5.048,40 3.793,41 3.992,42 5.588,43 3.835,44 4.743,45 4.995,46 3.791,47 3.958,48 5.529,49 3.794,50 4.643,51 4.871,52 3.716,53 3.895,54 5.482,55 3.731,56 0.009,57 0.751,58 10.478,59 4.952,60 5.813,61 6.623,62 0.189,63 1.26,64 22.562,65 8.196,66 18.973,67 11.044,68 0.436,69 1.53,70 37.4,71 11.48,72 38.519,73 15.255,74 0.29,75 1.538,76 37.193,77 13.381,78 32.766,79 18.223,80 0.397,81 1.464,82 38.362,83 12.659,84 35.799,85 17.258,86 0.345,87 1.307,88 31.892,89 10.916,90 30.264,91 14.965,92 0.295,93 1.216,94 32.912,95 10.611,96 27.826,97 14.342,98 0.297,99 1.073,100 33.151,101 9.811,102 28.272,103 13.062,104 10,105 44,106 0.257,107 0.539,108 0.715,109 0.829,110 0.859,111 0.859,112 3.407,113 1.005,114 -4.88,115 -4.78,116 -4.49,119 42.6,120 1,125 7,140 8,141 2,142 3,144 2,169 7,172 7,178 9,181 2,182 6,189 10,192 1,193 4,199 7,203 4,211 2,214 1,215 6,222 1,225 1,226 3,237 4,249 6,259 1371,260 19.67,261 19.67,262 19.67,263 19.67,264 19.67,265 17.53,266 22.452,267 11.629,268 20.328,269 15.798,270 15.798,271 15.798,272 15.798,273 15.798,274 12.671,275 28.399,276 5.553,277 16.99,278 4.202,279 2.502,280 1.444,281 0.755,282 0.57,283 0.57,284 4.107,285 2,288 1,289 1,290 886,291 2.915,295 370.833,299 142.916,302 2.207,303 18.453,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.167,315 406,316 4.516,317 3.327,318 6.517,319 4.026,320 3.054,321 4.458,322 0.916,323 10.248,324 2.968,325 4.221,326 3.186,327 5.961,328 3.778,329 2.856,330 3.871,331 0.86,332 8.412,333 2.639,334 3.724,335 3.031,336 5.565,337 3.554,338 2.648,339 3.17,340 0.8,341 7.528,342 2.386,343 3.7,344 2.731,345 5.329,346 3.294,347 2.357,348 2.887,349 0.172,350 6.796,351 2.217,352 3.476,353 2.593,354 5.281,355 3.217,356 2.297,357 2.633,359 6.689,360 2.033,361 3.295,362 2.269,363 4.899,364 2.881,365 1.944,366 2.572,368 5.627,369 1.809,370 3.073,371 2.146,372 4.813,373 2.823,374 1.874,375 2.219,377 5.29,378 1.727,379 2.989,380 2.111,381 4.196,382 2.512,383 1.524,384 2.1,386 3.817,387 1.504,388 2.82,389 1.601,390 4.041,391 2.306,392 1.414,393 1.948,395 3.523,396 1.198,397 2.491,398 1.465,399 3.527,400 2.156,401 1.228,402 1.488,404 2.714,405 1.129,406 2.139,407 1.146,408 3.414,409 1.967,410 1,411 1.082,413 2.275,414 0.965,415 2,416 0.971,417 3.315,418 1.836,419 0.867,420 1,422 2.004,423 0.836,424 1.554,425 0.839,426 3.016,427 1.27,428 0.372,429 0.419,431 0.885,432 0.307,433 1.301,434 0.485,435 2.698,436 0.984,437 0.116,438 0.131,440 0.267,441 0.089,442 1.151,443 0.226,444 2.448,445 0.742,446 -0.169,447 -0.193,449 -0.415,450 -0.136,451 14.462,452 0.499,453 0.677,454 0.023,455 35.5,456 1.224,457 16.5,458 0.569,459 19,460 0.655,461 26.397,462 0.91,463 31.138,464 0.577,465 23.914,466 0.825,467 7.025,468 0.242,469 7.055,470 0.243,471 0.133,473 0.297,479 0.732,480 1.414,481 0.595,482 1.007,483 0.641,484 0.947,485 1.179,486 1.089,487 0.702,488 0.792,489 0.723,490 0.831,491 1.13,492 0.972,493 0.868,494 0.921,495 0.886,496 0.99,497 0.828,498 1.098,499 0.819,500 1.067,501 0.738,502 1.075,503 1.023,504 0.914,505 0.771,506 0.895,507 0.896,508 0.921,509 0.884,510 1.047,511 0.814,512 0.996,513 0.885,514 1.035,515 1.027,516 0.964,517 1.003,518 0.97,519 1.05,520 0.997,521 1.159,522 1.079,523 1.376,524 1.219,525 1.336,526 1.165,527 6,528 0.144,529 3.111,530 1.563,531 1.422,532 0.59,533 0.585,534 0.326,535 0.184,536 0.171,537 13082,538 35956,539 2.111,540 46.3,542 22,546 3,550 1.71,551 2,552 3.731,553 -0.785,559 83.871,560 1.553,561 3.253,562 4.311,563 5,564 5.185,565 5.185,566 3.195,567 4.651,568 4.832,569 3.929,570 1595.25,571 8.363,572 23315.9,577 310.764,578 1.314,579 4.8,580 0.188,581 0.008,582 0.071,583 0.036,584 0.041,585 0.019,586 0.02,587 0.012,588 0.007,589 0.008,590 0.408,591 0.33,592 1,593 0.506,594 151.994,595 0.006,596 -0.241,597 0.031,598 -0.083,599 -0.004,600 -0.021,601 -0.144,602 0.057,603 0.027,604 0.104,605 0.048,606 0.073,607 -0.02,608 0.095,609 0.014,610 0.014,611 0.079,612 -0.058,613 0.034,614 -0.143,615 -0.019,616 -0.107,617 0.066,618 -0.09,619 -0.034,620 0.023,621 0.027,622 0.052,623 -0.063,624 0.056,625 0.036,626 -0.075,627 -0.009,628 -0.049,629 -0.068,630 -0.063,631 -0.065,632 -0.002,633 -0.03,634 0.007,635 -0.12,636 -0.011,637 -0.106,638 -0.127,639 -0.206,640 -0.199,641 -0.227,642 -0.167,643 1.058,644 2.586,645 0.759,646 31.389,647 0.998,648 1.122,649 3.646,650 13.295,651 0.691,652 3.497,653 3.807,654 4.043,655 4.263,656 4.5,657 4.477,658 4.522,659 4.605,660 4.663,661 4.7,662 8.143,663 0.644,664 430.41,665 3.497,666 5.03,667 5.866,668 6.727,669 7.576,670 8.438,671 9.291,672 10.154,673 11.009,674 11.872,675 5.6,678 2,685 1,687 2,688 8,689 1,693 5,695 17,712 1,713 2,714 54,716 17,717 2,718 32,720 57,721 23,722 15,723 6,724 6,730 4,731 5,732 2,736 1,745 15,746 8,764 25,765 4,767 6,768 2,773 3,777 0.75,778 1,786 1,793 4,797 1,815 2,819 3,823 1,824 2,827 29,833 7,835 1,838 2,846 2,847 1.9,852 1,854 14.5,855 9.969,856 6.333,857 3.32,858 3.2,859 1.414,860 0.992,861 6.682,862 10.93,863 3.726,864 4.317,865 4.869,866 5.421,867 5.976,868 6.137,869 6.362,870 6.661,871 6.911,872 6.641,873 1,874 44,875 10.711,877 4.467,878 7.531,879 21.014,881 17.335,883 2.031,884 58.889,888 294.278,889 124.766,890 23.034,891 78.297,892 11,895 124.766,896 383.575,897 23.034,898 8.825,899 17.227,900 75.81,901 16.786,902 40.153,904 294.278,905 78.297,906 294.278,907 147.8,908 11,909 78.297,911 294.278,912 11,915 37.201,916 93.813,917 95.083,919 294.278,920 34.034,921 203.063,924 294.278,925 40.131,926 90.884,928 106.083,929 294.278,930 34.034,931 203.063,933 0.582,934 0.334,935 0.173,936 0.098,937 21,938 9,939 0.105,940 6,941 1,942 1.091,943 4.253,944 242.573,945 0.091,946 22,947 134.881,951 20.579,952 9.416,953 5.272,954 2.058,955 34.034,956 16.066,957 4.576,961 4.369,964 531.375,965 40.5,975 53.883,976 60.575,977 0.27,978 0.565,979 0.749,980 0.869,981 0.901,982 0.901,983 4.958,984 1.524,985 5.838,986 5.29,987 4.489,988 5.004,989 1.598,990 6.6,991 4.352,992 6.145,993 1.414,994 7.367,995 3.817,996 4.007,997 4.796,998 0.57,999 7.38,1000 3.741,1001 7.438,1002 1.228,1003 8.991,1004 3.523,1005 6.043,1006 7.196,1007 1.256,1008 10.441,1009 5.793,1010 8.764,1011 1,1012 10.669,1013 2.714,1014 6.347,1015 7.822,1016 0.581,1017 12.042,1018 5.982,1019 10.122,1020 0.867,1021 12.383,1022 2.275,1023 7.848,1024 9.714,1025 1.023,1026 14.616,1027 7.497,1028 11.503,1029 0.372,1030 14.122,1031 2.004,1032 8.536,1033 10.76,1034 0.515,1035 16.594,1036 8.099,1037 12.903,1038 0.116,1039 15.88,1040 0.885,1041 9.804,1042 12.429,1043 0.84,1044 18.996,1045 9.366,1046 3.054,1047 -0.169,1048 17.653,1049 0.267,1050 10.689,1051 13.693,1052 0.441,1053 21.153,1054 10.191,1055 2.856,1056 10.248,1057 19.439,1058 -0.415,1059 11.852,1060 15.258,1061 0.689,1062 23.495,1063 11.343,1064 2.648,1065 8.412,1066 21.236,1067 4.458,1068 12.838,1069 16.632,1070 0.373,1071 25.738,1072 12.287,1073 2.357,1074 7.528,1075 23.042,1076 3.871,1077 13.956,1078 18.15,1079 0.564,1080 28.06,1081 13.388,1082 2.297,1083 6.796,1084 24.856,1085 3.17,1086 14.994,1087 19.579,1088 0.314,1089 30.344,1090 14.394,1091 1.944,1092 6.689,1093 26.677,1094 2.887,1095 16.094,1096 21.077,1097 0.461,1098 32.663,1099 15.475,1100 1.874,1101 5.627,1102 28.505,1103 2.633,1104 17.159,1105 22.535,1106 0.264,1107 34.967,1108 16.514,1109 12262,1110 20508,1111 21.671,1112 37.324,1113 47.157,1114 48.275,1115 48.247,1116 47.307,1117 47.101,1118 59.957,1119 5.498,1120 132.152,1121 43.615,1122 5.516,1123 5.327,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 1.776,1129 17.078,1130 4.968,1131 12.949,1132 1.474,1133 1.509,1134 1.508,1135 1.478,1136 1.472,1137 1.874,1138 0.172,1139 4.13,1140 1.363,1141 4.076,1142 4.102,1143 4.119,1144 4,1145 5.046,1146 4.005,1147 3.951,1148 3.99,1149 4.033,1150 3.888,1151 5.009,1152 3.879,1153 3.799,1154 3.852,1155 3.733,1156 3.62,1157 4.581,1158 3.629,1159 3.544,1160 3.591,1161 3.457,1162 3.428,1163 4.491,1164 3.423,1165 3.422,1166 3.489,1167 3.407,1168 3.234,1169 4.396,1170 3.234,1171 3.153,1172 3.209,1173 3.371,1174 3.014,1175 4.261,1176 3.001,1177 3.111,1178 3.206,1179 3.2,1180 2.942,1181 4.178,1182 2.922,1183 3.075,1184 3.153,1185 2.95,1186 2.941,1187 3.879,1188 2.91,1189 0.141,1190 0.104,1191 0.204,1192 0.126,1193 0.095,1194 4.516,1195 0.139,1196 3.327,1197 0.029,1198 6.517,1199 0.32,1200 4.026,1201 0.093,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.914,1214 1.89,1215 2.032,1216 2.048,1217 1.221,1218 2.051,1219 1.757,1220 1.692,1221 1.921,1222 1.916,1223 1.129,1224 1.93,1225 1.534,1226 1.49,1227 1.743,1228 1.701,1229 0.954,1230 1.714,1231 1.398,1232 1.331,1233 1.665,1234 1.609,1235 0.825,1236 1.634,1237 1.153,1238 1.07,1239 1.513,1240 1.376,1241 0.804,1242 1.429,1243 1.126,1244 1.064,1245 1.424,1246 1.331,1247 0.614,1248 1.355,1249 1.1,1250 1.029,1251 1.369,1252 1.3,1253 0.479,1254 1.345,1255 4.174,1257 5.485,1259 6.989,1261 8.582,1263 10.22,1265 2.008,1266 12.137,1271 6.678,1273 6.086,1276 4.911,1280 34.756,1281 83.871,1282 175.667,1283 232.79,1284 270.009,1285 280.009,1286 280.009,1287 40.994,1288 7.73,1289 28.6,1290 28.6,1291 24,1292 12.422,1293 4.17,1294 3.248,1295 45.214,1296 145,1297 125,1298 0.15,1299 219.446,1300 375.41,1301 527.209,1302 28610,1303 3.7,1304 20.217,1305 0.697,1306 0.624,1307 21.217,1308 18.086,1309 14.081,1310 0.44,1311 0.335,1312 9.91,1313 13.105,1314 9.579,1315 7.871,1316 14.658,1317 10.718,1318 12.72,1319 0.289,1320 0.189,1321 13.462,1322 8.305,1323 10.586,1324 0.189,1325 0.109,1326 11.5,1327 6.09,1328 8.458,1329 0.121,1330 0.058,1331 8.86,1332 4.027,1333 7.069,1334 0.079,1335 0.033,1336 7.438,1337 2.925,1338 0.246,1339 93.375,1340 0.215,1341 28.392,1342 0.381,1343 152,1344 401.078,1345 192.799,1346 449.63,1347 600.15,1348 422,1349 176,1350 394.222,1351 214.156,1352 420.849,1353 615.8,1354 396,1355 5.6} {0 CHEMBL192176,1 1.516,2 15.406,3 2.152,4 4.63,5 126.358,6 7.209,7 0.306,8 4.202,9 4.319,10 3.759,11 3.714,12 5.227,13 3.698,14 4.776,15 4.96,16 4.111,17 4.104,18 5.754,19 4.077,20 5.037,21 5.242,22 4.157,23 4.258,24 6,25 4.193,26 5.08,27 5.318,28 4.007,29 4.213,30 5.933,31 4.102,32 5.057,33 5.322,34 3.881,35 4.109,36 5.895,37 3.991,38 4.901,39 5.148,40 3.761,41 4.036,42 5.708,43 3.904,44 4.848,45 5.111,46 3.724,47 4.016,48 5.587,49 3.882,50 4.823,51 5.062,52 3.713,53 4.022,54 5.628,55 3.884,56 0.053,57 0.887,58 12.98,59 5.503,60 7.225,61 7.376,62 0.241,63 1.469,64 25.575,65 8.653,66 22.68,67 12.03,68 0.531,69 1.762,70 34.852,71 11.603,72 46.435,73 15.954,74 0.372,75 1.749,76 37.091,77 12.955,78 41.184,79 18.318,80 0.612,81 1.646,82 37.959,83 12.069,84 55.337,85 17.32,86 0.483,87 1.462,88 31.39,89 10.824,90 38.356,91 15.517,92 0.284,93 1.436,94 29.449,95 10.408,96 26.511,97 15.234,98 0.344,99 1.392,100 28.297,101 10.468,102 31.59,103 14.934,104 5,105 50,106 0.245,107 0.586,108 0.776,109 0.843,110 0.865,111 0.865,112 3.501,113 0.93,114 -3.16,115 -3.16,116 -3.03,119 41.7,120 1,121 1,125 6,126 1,134 3,135 1,136 1,137 1,140 5,141 1,142 1,144 2,154 1,164 1,169 7,171 1,172 11,178 8,181 3,182 11,189 7,192 1,193 7,199 6,202 2,203 4,211 2,214 3,215 5,222 1,225 1,226 3,236 2,237 4,248 1,249 5,259 1782,260 21.98,261 21.98,262 21.98,263 21.98,264 21.98,265 19.954,266 25.761,267 13.006,268 22.493,269 17.819,270 17.819,271 17.819,272 17.819,273 17.819,274 14.645,275 28.201,276 6.244,277 18.644,278 4.391,279 2.274,280 1.093,281 0.679,282 0.546,283 0.546,284 4.216,288 1,289 1,290 1102,291 3,295 474.079,299 315.362,302 2.48,303 24.214,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 493,316 4.516,317 4.326,318 6.517,319 4.026,320 3.054,321 4.458,322 2.423,323 10.248,324 2.968,325 4.314,326 3.544,327 6.213,328 3.938,329 2.967,330 3.732,331 1.447,332 9.349,333 2.888,334 3.729,335 3.185,336 5.592,337 3.609,338 2.682,339 3.17,340 0.86,341 7.7,342 2.483,343 3.709,344 2.976,345 5.335,346 3.356,347 2.407,348 2.785,349 0.842,350 6.909,351 2.299,352 3.552,353 2.731,354 5.301,355 3.284,356 2.332,357 2.645,358 0.8,359 6.706,360 2.217,361 3.347,362 2.62,363 5.006,364 3.119,365 2.137,366 2.619,367 0.226,368 6.006,369 2.073,370 3.29,371 2.511,372 4.848,373 2.868,374 1.909,375 2.401,377 5.453,378 1.818,379 3.16,380 2.147,381 4.812,382 2.812,383 1.859,384 2.226,386 5.29,387 1.76,388 3.002,389 1.892,390 4.407,391 2.591,392 1.618,393 2.206,395 4.367,396 1.567,397 2.978,398 1.604,399 4.196,400 2.512,401 1.524,402 1.988,404 3.817,405 1.504,406 2.492,407 1.472,408 3.527,409 2.157,410 1.228,411 1.488,413 2.714,414 1.13,415 2.265,416 1.428,417 3.414,418 1.967,419 1,420 1.088,422 2.275,423 0.965,424 2.126,425 1.146,426 3.318,427 1.837,428 0.868,429 1,431 2.006,432 0.838,433 2,434 0.973,435 3.28,436 1.724,437 0.739,438 0.957,440 1.756,441 0.725,442 1.505,443 0.851,444 3,445 1.233,446 0.296,447 0.321,449 0.739,450 0.275,451 15.1,452 0.472,453 0.708,454 0.022,455 38.25,456 1.195,457 16.5,458 0.516,459 21.75,460 0.68,461 28.346,462 0.886,463 34.7,464 0.578,465 28.376,466 0.887,467 7.844,468 0.245,469 7.792,470 0.243,471 0.055,473 0.311,479 0.718,480 1.445,481 0.779,482 1.183,483 0.583,484 1.021,485 1.187,486 1.082,487 0.941,488 0.941,489 0.672,490 0.889,491 1.356,492 0.978,493 1.127,494 0.976,495 1.132,496 1.005,497 1.034,498 1.128,499 1.043,500 1.128,501 0.746,502 1.096,503 1.186,504 0.845,505 1.013,506 0.855,507 0.791,508 0.898,509 0.94,510 1.013,511 1.076,512 1.022,513 0.747,514 1.07,515 0.705,516 0.973,517 0.965,518 0.985,519 0.496,520 1.004,521 0.762,522 1.083,523 1.084,524 1.119,525 0.827,526 1.152,527 6.5,528 0.144,529 3.111,530 1.625,531 1.756,532 0.59,533 0.645,534 0.292,535 0.213,536 0.218,537 18210,538 44075,539 2.174,540 46.7,542 20,543 3,546 5,550 1.735,551 2.087,552 3.857,553 -0.774,555 1,559 90.956,560 1.516,561 3.633,562 4.814,563 5.228,564 5.361,565 5.361,566 3.352,567 4.726,568 4.974,569 4.061,570 2014.13,571 8.644,572 31903.6,574 1,577 354.413,578 1.198,579 4.954,580 0.181,581 0.006,582 0.062,583 0.032,584 0.043,585 0.016,586 0.02,587 0.009,588 0.007,589 0.008,590 0.385,591 0.33,592 0.88,593 0.406,594 173.549,595 0.095,596 -0.244,597 0.093,598 -0.108,599 0.01,600 -0.028,601 -0.116,602 0.063,603 0.016,604 0.032,605 0.029,606 0.051,607 -0.115,608 0.076,609 -0.133,610 -0.01,611 -0.077,612 -0.063,613 -0.032,614 -0.163,615 -0.057,616 -0.144,617 0.019,618 -0.111,619 -0.036,620 0.088,621 0.016,622 0.089,623 0.025,624 0.067,625 0.024,626 -0.05,627 -0.089,628 -0.044,629 -0.054,630 -0.084,631 -0.015,632 0.011,633 -0.004,634 -0.003,635 -0.014,636 -0.001,637 0.02,638 -0.101,639 -0.131,640 -0.112,641 -0.067,642 -0.146,643 1.544,644 4.524,645 0.813,646 37.063,647 1,648 1.127,649 1.934,650 3.74,651 0.659,652 3.611,653 3.932,654 4.19,655 4.454,656 4.718,657 4.718,658 4.812,659 4.92,660 5.017,661 5.011,662 8.856,663 0.626,664 432.57,665 3.611,666 5.153,667 5.999,668 6.87,669 7.728,670 8.6,671 9.463,672 10.335,673 11.2,674 12.072,675 6.7,678 3,685 1,687 2,688 5,689 1,693 2,695 11,712 1,714 60,716 15,717 1,718 36,720 64,721 25,722 9,723 3,724 3,725 7,730 5,731 7,736 1,740 1,743 1,745 16,746 9,750 4,755 1,757 4,759 3,761 1,764 28,765 7,767 7,773 4,777 0.6,778 3,786 1,793 5,797 2,803 1,810 4,811 1,813 1,815 2,819 3,823 1,827 32,833 8,835 2,838 3,847 5,850 1,851 1,852 1,854 15.333,855 11.05,856 6.917,857 3.699,858 3.262,859 1.39,860 0.999,861 6.26,862 11.628,863 3.839,864 4.388,865 4.934,866 5.475,867 6.022,868 6.225,869 6.49,870 6.788,871 7.057,872 6.767,873 1,874 50,875 11.859,877 5.041,878 7.583,879 23.171,881 19.31,883 2.083,884 66.667,888 329.591,889 139.295,890 28.773,892 47.364,895 139.295,896 376.954,897 28.773,898 8.825,899 28.38,900 75.81,901 63.526,902 38.89,903 35.313,904 294.278,906 329.591,907 168.067,908 47.364,911 329.591,912 36.145,913 11.219,915 45.046,916 72.564,917 50.458,919 329.591,920 76.136,921 139.295,924 329.591,925 45.612,926 105.67,928 64.149,929 329.591,930 76.136,931 139.295,933 0.582,934 0.334,935 0.183,936 0.106,937 25,938 10,939 0.094,940 6,941 2,942 1.154,943 4.583,944 284.877,945 0.154,946 26,947 154,951 21.197,952 9.451,953 5.065,954 2.038,955 76.136,956 10.151,957 4.58,961 1.912,964 545.022,965 45.5,970 11.524,972 7.367,974 1.763,975 59.992,976 67.604,977 0.257,978 0.615,979 0.815,980 0.885,981 0.908,982 0.908,983 5.092,984 1.859,985 5.969,986 5.453,987 4.615,988 5.075,989 2.988,990 6.742,991 4.531,992 6.271,993 1.618,994 7.498,995 5.29,996 4.111,997 4.808,998 1.577,999 7.526,1000 3.993,1001 7.562,1002 1.524,1003 9.121,1004 4.367,1005 6.176,1006 7.205,1007 4.264,1008 10.603,1009 6.012,1010 8.882,1011 1.228,1012 10.799,1013 3.817,1014 6.463,1015 7.798,1016 3.419,1017 12.218,1018 6.27,1019 10.236,1020 1,1021 12.514,1022 2.714,1023 7.986,1024 9.676,1025 5.844,1026 14.801,1027 7.753,1028 11.613,1029 0.868,1030 14.255,1031 2.275,1032 8.668,1033 10.716,1034 5.401,1035 16.792,1036 8.41,1037 13.009,1038 0.739,1039 16.015,1040 2.006,1041 9.95,1042 12.368,1043 7.514,1044 19.197,1045 9.658,1046 3.054,1047 0.296,1048 17.792,1049 1.756,1050 10.837,1051 13.64,1052 7.342,1053 21.361,1054 10.522,1055 2.967,1056 10.248,1057 19.581,1058 0.739,1059 12.01,1060 15.193,1061 9.216,1062 23.7,1063 11.666,1064 2.682,1065 9.349,1066 21.382,1067 4.458,1068 13.003,1069 16.578,1070 9.239,1071 25.942,1072 12.635,1073 2.407,1074 7.7,1075 23.192,1076 3.732,1077 14.128,1078 18.09,1079 10.933,1080 28.259,1081 13.734,1082 2.332,1083 6.909,1084 25.01,1085 3.17,1086 15.173,1087 19.529,1088 11.106,1089 30.537,1090 14.756,1091 2.137,1092 6.706,1093 26.834,1094 2.785,1095 16.28,1096 21.025,1097 12.659,1098 32.848,1099 15.837,1100 1.909,1101 6.006,1102 28.665,1103 2.645,1104 17.352,1105 22.49,1106 12.951,1107 35.143,1108 16.885,1109 16603,1110 25993,1111 24.849,1112 39.523,1113 54.145,1114 56.234,1115 54.203,1116 53.274,1117 53.293,1118 66.235,1119 13.198,1120 150.802,1121 51.068,1122 5.516,1123 6.326,1124 6.097,1125 5.106,1126 5.054,1127 7.458,1128 4.649,1129 17.078,1130 4.968,1131 11.431,1132 1.504,1133 1.562,1134 1.506,1135 1.48,1136 1.48,1137 1.84,1138 0.367,1139 4.189,1140 1.419,1141 4.077,1142 4.102,1143 4.038,1144 3.999,1145 7.428,1146 4.005,1147 3.957,1148 3.99,1149 3.903,1150 3.842,1151 5.016,1152 3.851,1153 3.834,1154 3.895,1155 3.725,1156 3.638,1157 4.854,1158 3.65,1159 3.557,1160 3.609,1161 3.457,1162 3.429,1163 4.58,1164 3.425,1165 3.496,1166 3.553,1167 3.398,1168 3.309,1169 4.36,1170 3.321,1171 3.376,1172 3.435,1173 3.238,1174 3.197,1175 4.231,1176 3.196,1177 3.126,1178 3.206,1179 3.003,1180 2.957,1181 4.081,1182 2.953,1183 3.111,1184 3.191,1185 2.962,1186 2.941,1187 4.064,1188 2.913,1189 0.125,1190 0.12,1191 0.181,1192 0.112,1193 0.085,1194 4.516,1195 0.124,1196 4.326,1197 0.067,1198 6.517,1199 0.285,1200 4.026,1201 0.082,1202 3.054,1203 4.458,1204 2.423,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.328,1212 2.12,1213 1.893,1214 1.873,1215 2.014,1216 2.055,1217 1.22,1218 2.044,1219 1.784,1220 1.712,1221 1.975,1222 1.987,1223 1.141,1224 1.985,1225 1.537,1226 1.491,1227 1.747,1228 1.728,1229 0.984,1230 1.731,1231 1.455,1232 1.394,1233 1.69,1234 1.657,1235 0.825,1236 1.671,1237 1.356,1238 1.296,1239 1.6,1240 1.566,1241 0.806,1242 1.581,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.777,1248 1.429,1249 1.115,1250 1.046,1251 1.424,1252 1.326,1253 0.593,1254 1.352,1255 4.29,1257 5.609,1259 7.125,1261 8.732,1263 10.386,1265 2.004,1271 6.638,1273 12.031,1276 6.657,1280 37.552,1281 90.956,1282 217.954,1283 288.83,1284 313.659,1285 321.659,1286 321.659,1287 45.991,1288 8.366,1289 63.74,1290 63.74,1291 30,1292 12.615,1293 4,1294 3.392,1295 46.258,1296 175,1297 154,1298 0.126,1299 226.431,1300 404.07,1301 544.252,1302 65169,1304 21.916,1305 0.685,1306 0.574,1307 21.916,1308 18.367,1309 15.636,1310 0.434,1311 0.31,1312 10.98,1313 14.944,1314 10.735,1315 8.816,1316 15.636,1317 11.157,1318 14.204,1319 0.284,1320 0.168,1321 14.204,1322 8.388,1323 11.863,1324 0.183,1325 0.093,1326 11.863,1327 6.026,1328 10.021,1329 0.118,1330 0.05,1331 10.021,1332 4.222,1333 8.613,1334 0.078,1335 0.028,1336 8.613,1337 3.063,1338 0.209,1339 98.364,1340 0.201,1341 30.888,1342 0.32,1343 172,1344 483.787,1345 190.208,1346 458.92,1347 635.74,1348 434,1349 201,1350 477.508,1351 221.014,1352 476.007,1353 695.96,1354 449,1355 8} {0 CHEMBL192536,1 1.649,2 14.258,3 4.062,4 16.499,5 117.257,6 7.581,7 0.5,8 4.13,9 4.247,10 3.712,11 3.636,12 5.254,13 3.626,14 4.689,15 4.869,16 4.058,17 4.022,18 5.853,19 4.001,20 4.946,21 5.154,22 4.126,23 4.184,24 6.006,25 4.126,26 5.045,27 5.28,28 4.034,29 4.164,30 6.215,31 4.064,32 4.991,33 5.254,34 3.846,35 4.068,36 5.867,37 3.95,38 4.885,39 5.132,40 3.756,41 3.976,42 5.848,43 3.856,44 4.786,45 5.038,46 3.755,47 3.915,48 5.672,49 3.815,50 4.785,51 5.015,52 3.724,53 3.867,54 5.866,55 3.787,56 0.143,57 0.896,58 11.16,59 5.103,60 10.015,61 6.598,62 0.392,63 1.433,64 22.46,65 8.04,66 49.979,67 10.829,68 0.563,69 1.78,70 30.646,71 10.773,72 45.358,73 14.565,74 0.788,75 1.742,76 36.199,77 12.763,78 129.14,79 17.549,80 0.575,81 1.531,82 35.321,83 11.741,84 62.372,85 16.78,86 0.734,87 1.457,88 31.537,89 10.322,90 73.609,91 14.549,92 0.402,93 1.373,94 27.716,95 9.387,96 42.217,97 13.405,98 0.602,99 1.401,100 28.374,101 9.216,102 85.542,103 11.959,104 18,105 47,106 0.269,107 0.561,108 0.727,109 0.83,110 0.853,111 0.853,112 3.471,113 0.914,114 -4.34,115 -4.28,116 -4.04,119 41.1,120 1,125 7,140 8,141 2,142 3,144 2,164 2,169 7,171 1,172 8,178 7,181 2,182 10,189 5,192 1,193 9,199 5,202 1,203 5,211 2,214 3,215 5,222 1,225 1,226 3,236 1,237 3,248 2,249 5,259 1639,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.485,266 25.194,267 12.31,268 21.406,269 16.782,270 16.782,271 16.782,272 16.782,273 16.782,274 13.252,275 32.386,276 5.85,277 17.643,278 4.159,279 2.377,280 1.357,281 0.728,282 0.585,283 0.585,284 4.169,288 1,289 1,290 956,291 3.391,295 403.591,299 156.74,302 2.298,303 36.153,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68.5,315 442,316 4.516,317 3.819,318 6.517,319 4.026,320 3.054,321 4.458,322 2.612,323 10.248,324 2.968,325 4.407,326 3.186,327 6.368,328 3.945,329 2.983,330 4.134,331 0.916,332 9.571,333 2.866,334 3.801,335 3.074,336 5.592,337 3.605,338 2.678,339 3.198,340 0.86,341 7.682,342 2.482,343 3.717,344 2.916,345 5.333,346 3.323,347 2.38,348 3.17,349 0.8,350 6.873,351 2.247,352 3.585,353 2.716,354 5.296,355 3.273,356 2.321,357 2.714,358 0.172,359 6.703,360 2.209,361 3.371,362 2.592,363 4.922,364 2.952,365 2.006,366 2.63,368 5.72,369 1.884,370 3.294,371 2.261,372 4.813,373 2.844,374 1.887,375 2.545,377 5.291,378 1.797,379 3.067,380 2.138,381 4.691,382 2.757,383 1.819,384 2.219,386 4.736,387 1.691,388 2.988,389 1.602,390 4.196,391 2.512,392 1.524,393 2.097,395 3.817,396 1.504,397 2.607,398 1.466,399 3.609,400 2.157,401 1.228,402 1.596,404 2.714,405 1.13,406 2.491,407 1.412,408 3.526,409 2,410 1,411 1.488,413 2.424,414 1,415 2.139,416 1.146,417 3.414,418 1.967,419 1,420 1.082,422 2.275,423 0.965,424 2,425 1,426 3.315,427 1.836,428 0.867,429 1,431 2.004,432 0.837,433 1.512,434 0.971,435 3.014,436 1.277,437 0.34,438 0.379,440 0.835,441 0.315,442 1.276,443 0.808,444 2.696,445 0.983,446 0.059,447 0.068,449 0.142,450 0.054,451 14.386,452 0.464,453 0.767,454 0.025,455 40,456 1.29,457 19.5,458 0.629,459 20.5,460 0.661,461 25.511,462 0.823,463 34.214,464 0.611,465 30.482,466 0.983,467 8.11,468 0.262,469 6.881,470 0.222,471 0.101,473 0.327,477 1,479 0.521,480 1.25,481 0.72,482 1.149,483 0.483,484 1.016,485 0.835,486 1.058,487 0.868,488 0.952,489 0.445,490 0.906,491 0.886,492 0.978,493 1.017,494 1.043,495 0.627,496 1.046,497 0.74,498 1.025,499 0.956,500 1.127,501 0.616,502 1.103,503 0.768,504 0.776,505 0.91,506 0.936,507 0.533,508 0.954,509 0.871,510 0.861,511 1.075,512 0.988,513 0.892,514 1.072,515 0.72,516 0.959,517 0.922,518 1.031,519 0.559,520 1.019,521 1.393,522 1.082,523 1.216,524 1.034,525 1.569,526 1.079,527 6.5,528 0.161,529 3.333,530 1.938,531 1.582,532 0.715,533 0.667,534 0.389,535 0.209,536 0.222,537 15424,538 45488,539 2.084,540 44.6,542 22,546 3,550 1.728,551 1.958,552 3.748,553 -0.735,555 1,559 92.319,560 1.649,561 3.431,562 4.451,563 5.08,564 5.222,565 5.222,566 3.205,567 4.672,568 4.93,569 3.986,570 1853.5,571 8.559,572 28638.1,574 1,576 1,577 325.212,578 1.383,579 4.888,580 0.191,581 0.008,582 0.071,583 0.04,584 0.039,585 0.02,586 0.022,587 0.012,588 0.007,589 0.009,590 0.419,591 0.17,592 1,593 0.701,594 166.083,595 0.119,596 -0.143,597 0.072,598 -0.064,599 0.014,600 -0.026,601 -0.029,602 -0.028,603 0.022,604 0.043,605 0.145,606 0.052,607 -0.03,608 0.049,609 -0.089,610 -0.055,611 0.023,612 -0.076,613 0.152,614 -0.089,615 0.018,616 -0.122,617 0.229,618 -0.09,619 -0.022,620 -0.007,621 0.068,622 0.03,623 0.011,624 0.062,625 0.022,626 0.02,627 -0.089,628 -0.018,629 -0.079,630 -0.078,631 -0.009,632 -0.084,633 0.033,634 -0.061,635 0.004,636 -0.013,637 -0.207,638 -0.034,639 -0.197,640 -0.059,641 -0.232,642 -0.114,643 2.677,644 5.518,645 0.71,646 34.576,647 1.011,648 1.134,649 3.113,650 9.689,651 0.655,652 3.555,653 3.871,654 4.111,655 4.344,656 4.564,657 4.543,658 4.625,659 4.682,660 4.736,661 4.804,662 8.528,663 0.632,664 424.52,665 3.555,666 5.094,667 5.932,668 6.799,669 7.651,670 8.519,671 9.375,672 10.243,673 11.102,674 11.969,675 7.1,678 2,685 1,686 1,687 2,688 8,689 1,693 5,695 17,708 1,712 1,713 1,714 56,716 19,717 2,718 34,720 59,721 23,722 15,723 6,724 6,730 4,731 5,736 1,745 15,746 8,750 2,752 1,755 2,761 1,762 1,764 25,765 7,767 8,773 4,777 0.75,778 3,786 1,793 4,797 1,815 2,819 3,823 1,825 1,827 31,833 7,835 1,838 2,846 1,847 5.4,852 1,853 2,854 15.833,855 10.36,856 6.778,857 3.401,858 3.414,859 1.433,860 0.979,861 6.642,862 11.303,863 3.818,864 4.419,865 4.958,866 5.522,867 6.064,868 6.239,869 6.52,870 6.745,871 6.968,872 6.736,873 1,874 48,875 11.517,877 4.943,878 7.909,879 21.844,881 17.927,883 2.409,884 74.667,887 1,888 294.278,889 129.642,890 28.704,892 61.747,893 14.96,895 129.642,896 356.024,897 43.664,898 14.495,899 17.227,900 75.81,901 16.786,902 45.029,903 14.96,904 294.278,905 50.747,906 294.278,907 158.347,908 76.707,911 309.238,912 11,913 50.747,915 37.201,916 98.69,917 22.456,919 309.238,920 90.451,921 129.642,924 294.278,925 45.007,926 96.554,928 93.492,929 294.278,930 105.411,931 129.642,933 0.583,934 0.335,935 0.179,936 0.098,937 22,938 10,939 0.119,940 7,941 1,942 1.091,943 4.376,944 266.21,945 0.091,946 22,947 145.58,951 21.478,952 9.587,953 5.299,954 1.957,955 99.741,956 14.075,957 4.543,961 1.326,964 529.331,965 44.5,967 -0.677,970 21.859,975 56.621,976 63.528,977 0.284,978 0.591,979 0.766,980 0.875,981 0.899,982 0.899,983 5.051,984 1.819,985 5.911,986 5.291,987 4.554,988 5.106,989 2.781,990 6.688,991 4.459,992 6.251,993 1.524,994 7.451,995 4.736,996 4.111,997 4.977,998 2.431,999 7.519,1000 3.958,1001 7.555,1002 1.228,1003 9.087,1004 3.817,1005 6.12,1006 7.32,1007 4.193,1008 10.585,1009 5.938,1010 8.892,1011 1,1012 10.779,1013 2.714,1014 6.463,1015 8.015,1016 4.515,1017 12.24,1018 6.228,1019 10.261,1020 1,1021 12.509,1022 2.424,1023 7.948,1024 9.86,1025 5.953,1026 14.82,1027 7.689,1028 11.653,1029 0.867,1030 14.264,1031 2.275,1032 8.67,1033 10.952,1034 6.557,1035 16.837,1036 8.366,1037 13.064,1038 0.34,1039 16.04,1040 2.004,1041 9.932,1042 12.592,1043 7.795,1044 19.243,1045 9.603,1046 3.054,1047 0.059,1048 17.831,1049 0.835,1050 10.844,1051 13.882,1052 8.548,1053 21.422,1054 10.478,1055 2.983,1056 10.248,1057 19.635,1058 0.142,1059 12.008,1060 15.43,1061 9.67,1062 23.763,1063 11.616,1064 2.678,1065 9.571,1066 21.449,1067 4.458,1068 13.015,1069 16.816,1070 10.509,1071 26.013,1072 12.59,1073 2.38,1074 7.682,1075 23.271,1076 4.134,1077 14.138,1078 18.325,1079 11.563,1080 28.332,1081 13.686,1082 2.321,1083 6.873,1084 25.101,1085 3.198,1086 15.192,1087 19.758,1088 12.452,1089 30.614,1090 14.709,1091 2.006,1092 6.703,1093 26.936,1094 3.17,1095 16.299,1096 21.249,1097 13.468,1098 32.926,1099 15.789,1100 1.887,1101 5.72,1102 28.777,1103 2.714,1104 17.376,1105 22.705,1106 14.386,1107 35.223,1108 16.836,1109 14568,1110 25274,1111 22.77,1112 36.699,1113 50.342,1114 52.369,1115 51.801,1116 50.326,1117 50.293,1118 65.556,1119 10.722,1120 142.068,1121 47.897,1122 5.516,1123 5.819,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 4.612,1129 17.078,1130 4.968,1131 15.551,1132 1.481,1133 1.54,1134 1.524,1135 1.48,1136 1.479,1137 1.928,1138 0.315,1139 4.178,1140 1.409,1141 4.079,1142 4.106,1143 4.041,1144 4,1145 8.201,1146 4.006,1147 4.009,1148 4.039,1149 3.977,1150 3.883,1151 7.814,1152 3.895,1153 3.828,1154 3.895,1155 3.722,1156 3.62,1157 6.999,1158 3.632,1159 3.556,1160 3.602,1161 3.483,1162 3.428,1163 5.015,1164 3.424,1165 3.508,1166 3.548,1167 3.435,1168 3.238,1169 4.606,1170 3.257,1171 3.395,1172 3.45,1173 3.264,1174 3.074,1175 4.575,1176 3.138,1177 3.131,1178 3.206,1179 3.026,1180 2.951,1181 4.336,1182 2.95,1183 3.111,1184 3.193,1185 2.91,1186 2.941,1187 4.218,1188 2.91,1189 0.133,1190 0.112,1191 0.192,1192 0.118,1193 0.09,1194 4.516,1195 0.131,1196 3.819,1197 0.077,1198 6.517,1199 0.301,1200 4.026,1201 0.087,1202 3.054,1203 4.458,1204 2.612,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.936,1214 1.908,1215 2.047,1216 2.103,1217 1.221,1218 2.077,1219 1.765,1220 1.696,1221 1.946,1222 2,1223 1.135,1224 1.98,1225 1.535,1226 1.49,1227 1.744,1228 1.73,1229 0.956,1230 1.721,1231 1.407,1232 1.341,1233 1.67,1234 1.669,1235 0.825,1236 1.653,1237 1.231,1238 1.193,1239 1.513,1240 1.589,1241 0.804,1242 1.554,1243 1.153,1244 1.064,1245 1.425,1246 1.376,1247 0.619,1248 1.429,1249 1.111,1250 1.041,1251 1.408,1252 1.327,1253 0.479,1254 1.35,1255 4.234,1257 5.549,1259 7.057,1261 8.655,1263 10.298,1265 1.976,1267 13.518,1271 5.48,1273 6.037,1276 4.574,1280 35.408,1281 92.319,1282 192.115,1283 249.238,1284 284.457,1285 292.457,1286 292.457,1287 62.37,1288 7.889,1289 74.42,1290 74.42,1291 24,1292 12.515,1293 4.322,1294 3.524,1295 49.959,1296 163,1297 133,1298 0.147,1299 215.838,1300 377,1301 518.405,1302 34978,1303 1.8,1304 21.794,1305 0.703,1306 0.563,1307 20.924,1308 17.46,1309 14.991,1310 0.441,1311 0.305,1312 10.18,1313 14.226,1314 9.963,1315 8.197,1316 14.581,1317 10.361,1318 13.651,1319 0.29,1320 0.166,1321 13.123,1322 7.785,1323 11.102,1324 0.185,1325 0.093,1326 10.645,1327 5.575,1328 9.176,1329 0.121,1330 0.051,1331 8.738,1332 3.865,1333 7.515,1334 0.079,1335 0.029,1336 7.293,1337 2.779,1338 0.243,1339 95.253,1340 0.21,1341 29.975,1342 0.375,1343 162,1344 557.898,1345 181.767,1346 505.636,1347 671.33,1348 470,1349 188,1350 485.195,1351 208.501,1352 478.21,1353 694.12,1354 448,1355 8.1} {0 CHEMBL193268,1 1.563,2 14.875,3 3.84,4 14.746,5 123.504,6 7.276,7 0.486,8 4.193,9 4.309,10 3.745,11 3.681,12 5.282,13 3.667,14 4.753,15 4.936,16 4.072,17 4.061,18 5.854,19 4.035,20 4.976,21 5.177,22 4.149,23 4.237,24 5.958,25 4.173,26 5.102,27 5.329,28 4.083,29 4.248,30 6.099,31 4.143,32 5.1,33 5.362,34 3.936,35 4.169,36 5.998,37 4.049,38 5.001,39 5.248,40 3.794,41 4.052,42 5.952,43 3.926,44 4.832,45 5.08,46 3.78,47 3.969,48 5.669,49 3.862,50 4.864,51 5.098,52 3.766,53 3.949,54 5.827,55 3.857,56 0.124,57 0.876,58 12.814,59 5.454,60 10.012,61 7.301,62 0.41,63 1.394,64 25.264,65 8.449,66 50.077,67 11.791,68 0.468,69 1.689,70 31.931,71 11.147,72 34.005,73 15.596,74 0.611,75 1.748,76 37.745,77 13.399,78 66.543,79 18.952,80 0.53,81 1.692,82 39.102,83 12.815,84 57.896,85 18.581,86 0.782,87 1.501,88 35.896,89 11.296,90 81.88,91 16.153,92 0.333,93 1.377,94 28.9,95 9.689,96 31.313,97 14.208,98 0.542,99 1.342,100 30.731,101 9.59,102 60.275,103 13.419,104 21,105 48,106 0.252,107 0.539,108 0.73,109 0.825,110 0.852,111 0.852,112 3.501,113 0.924,114 -3.7,115 -3.67,116 -3.49,119 40,120 1,124 1,125 7,140 8,141 2,142 3,144 2,164 2,169 7,171 1,172 9,178 7,181 3,182 12,189 5,192 3,193 10,199 5,202 1,203 5,211 2,214 4,215 5,222 1,225 1,226 3,236 1,237 3,248 3,249 5,259 1774,260 21.748,261 21.748,262 21.748,263 21.748,264 21.748,265 19.408,266 27.782,267 12.831,268 22.397,269 17.22,270 17.22,271 17.22,272 17.22,273 17.22,274 13.679,275 36.393,276 6.002,277 18.151,278 4.344,279 2.567,280 1.379,281 0.792,282 0.625,283 0.625,284 4.2,288 1,289 1,290 1027,291 3.536,295 421.939,299 164.476,302 2.344,303 30.004,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70,315 476,316 4.516,317 3.813,318 6.517,319 4.026,320 3.054,321 4.458,322 2.612,323 10.248,324 2.968,325 4.422,326 3.186,327 6.428,328 3.971,329 3.007,330 4.146,331 0.916,332 9.853,333 2.896,334 3.801,335 3.069,336 5.594,337 3.608,338 2.681,339 3.199,340 0.86,341 7.701,342 2.488,343 3.717,344 2.881,345 5.333,346 3.326,347 2.383,348 3.17,349 0.86,350 6.886,351 2.25,352 3.591,353 2.706,354 5.298,355 3.274,356 2.322,357 2.754,358 0.8,359 6.704,360 2.21,361 3.418,362 2.591,363 4.922,364 2.96,365 2.013,366 2.631,367 0.172,368 5.734,369 1.895,370 3.295,371 2.264,372 4.888,373 2.868,374 1.927,375 2.564,377 5.291,378 1.811,379 3.079,380 2.139,381 4.813,382 2.827,383 1.877,384 2.22,386 5.195,387 1.769,388 2.989,389 1.603,390 4.196,391 2.512,392 1.524,393 2.103,395 3.817,396 1.504,397 2.61,398 1.501,399 3.618,400 2.158,401 1.229,402 1.597,404 2.715,405 1.131,406 2.491,407 1.461,408 3.527,409 2,410 1,411 1.488,413 2.425,414 1,415 2.14,416 1.146,417 3.414,418 1.967,419 1,420 1.084,422 2.275,423 0.965,424 2,425 1.101,426 3.316,427 1.837,428 0.869,429 1,431 2.006,432 0.838,433 1.804,434 1,435 3.075,436 1.524,437 0.634,438 0.714,440 1.178,441 0.557,442 1.357,443 0.965,444 2.779,445 1.154,446 0.231,447 0.25,449 0.505,450 0.212,451 14.933,452 0.467,453 0.729,454 0.023,455 41.25,456 1.289,457 20,458 0.625,459 21.25,460 0.664,461 26.87,462 0.84,463 35.467,464 0.591,465 31.65,466 0.989,467 8.391,468 0.262,469 7.138,470 0.223,471 0.112,473 0.315,479 0.608,480 1.437,481 0.771,482 1.211,483 0.511,484 1.053,485 1.058,486 1.069,487 0.914,488 0.89,489 0.469,490 0.861,491 0.919,492 1.036,493 1.029,494 1.053,495 0.556,496 1.047,497 0.756,498 1.141,499 0.976,500 1.168,501 0.675,502 1.126,503 0.92,504 0.936,505 0.965,506 0.982,507 0.788,508 0.978,509 1.143,510 0.931,511 1.128,512 0.938,513 1.473,514 1.03,515 0.775,516 1.091,517 0.965,518 1.076,519 0.6,520 1.05,521 1.355,522 0.94,523 1.149,524 0.953,525 1.485,526 1.005,527 6.5,528 0.173,529 3.333,530 1.938,531 1.782,532 0.778,533 0.667,534 0.389,535 0.209,536 0.232,537 16721,538 45599,539 2.082,540 46.7,542 25,546 3,550 1.736,551 1.959,552 3.801,553 -0.743,555 1,559 93.768,560 1.563,561 3.339,562 4.528,563 5.115,564 5.282,565 5.282,566 3.227,567 4.64,568 4.975,569 4.024,570 1996.13,571 8.652,572 31622,574 1,577 354.413,578 1.366,579 4.936,580 0.186,581 0.008,582 0.069,583 0.039,584 0.041,585 0.02,586 0.021,587 0.012,588 0.007,589 0.009,590 0.411,591 0.33,592 1,593 0.781,594 173.247,595 0.146,596 -0.199,597 0.084,598 -0.097,599 0.03,600 -0.039,601 -0.064,602 0.064,603 0.032,604 0.112,605 0.187,606 0.101,607 -0.036,608 0.062,609 -0.089,610 -0.047,611 0.026,612 -0.068,613 0.131,614 -0.17,615 -0.014,616 -0.152,617 0.126,618 -0.117,619 -0.045,620 0.003,621 0.023,622 -0.011,623 0.004,624 0.017,625 -0.046,626 -0.002,627 -0.115,628 0.022,629 -0.188,630 -0.057,631 -0.018,632 -0.088,633 -0.007,634 -0.095,635 -0.009,636 -0.054,637 -0.199,638 0.027,639 -0.137,640 0.005,641 -0.209,642 -0.046,643 2.395,644 4.248,645 0.688,646 36.688,647 1.005,648 1.13,649 2.469,650 6.098,651 0.65,652 3.584,653 3.892,654 4.143,655 4.382,656 4.605,657 4.585,658 4.663,659 4.727,660 4.787,661 4.836,662 8.734,663 0.621,664 436.56,665 3.584,666 5.118,667 5.958,668 6.825,669 7.68,670 8.548,671 9.408,672 10.276,673 11.137,674 12.006,675 6.7,678 2,685 1,686 1,687 2,688 8,689 1,693 5,695 17,708 1,712 2,714 60,716 19,717 2,718 35,720 63,721 24,722 15,723 6,724 6,730 4,731 5,736 1,745 15,746 9,750 2,752 1,755 2,761 1,764 28,765 7,767 8,773 4,777 0.75,778 4,786 1,793 4,797 1,815 2,819 3,823 2,827 32,833 7,835 2,838 2,847 6.7,852 2,853 2,854 16.333,855 11.383,856 7.111,857 3.574,858 3.412,859 1.429,860 0.966,861 7.203,862 11.373,863 3.839,864 4.431,865 4.978,866 5.546,867 6.093,868 6.271,869 6.552,870 6.77,871 7.009,872 6.752,873 0.9,874 50,875 11.836,877 4.958,878 7.755,879 22.732,881 18.445,883 2.255,884 72.167,887 1,888 329.591,889 136.648,890 28.704,892 72.747,895 136.648,896 402.338,897 28.704,898 25.378,899 17.227,900 75.81,901 16.786,902 52.151,904 329.591,905 50.747,906 329.591,907 165.352,908 72.747,911 329.591,912 22,913 50.747,915 37.201,916 105.695,917 22.456,919 329.591,920 101.451,921 136.648,924 329.591,925 41.13,926 107.437,928 89.532,929 329.591,930 101.451,931 136.648,933 0.577,934 0.338,935 0.184,936 0.102,937 22,938 10,939 0.127,940 8,941 1,942 1.091,943 4.451,944 277.738,945 0.091,946 22,947 152,951 22.466,952 10.26,953 5.562,954 1.992,955 95.781,956 15.224,957 4.561,961 3.098,964 567.69,965 45.5,967 -0.395,970 22.496,975 60.32,976 67.813,977 0.265,978 0.565,979 0.767,980 0.866,981 0.894,982 0.894,983 5.07,984 1.877,985 5.932,986 5.291,987 4.575,988 5.118,989 2.869,990 6.713,991 4.478,992 6.264,993 1.524,994 7.473,995 5.195,996 4.111,997 4.977,998 2.431,999 7.557,1000 3.969,1001 7.567,1002 1.229,1003 9.11,1004 3.817,1005 6.142,1006 7.329,1007 4.21,1008 10.625,1009 5.959,1010 8.904,1011 1,1012 10.804,1013 2.715,1014 6.479,1015 8.022,1016 4.515,1017 12.3,1018 6.253,1019 10.274,1020 1,1021 12.536,1022 2.425,1023 7.972,1024 9.869,1025 5.955,1026 14.881,1027 7.715,1028 11.666,1029 0.869,1030 14.295,1031 2.275,1032 8.694,1033 10.962,1034 6.557,1035 16.916,1036 8.399,1037 13.078,1038 0.634,1039 16.073,1040 2.006,1041 9.959,1042 12.601,1043 7.795,1044 19.325,1045 9.636,1046 3.054,1047 0.231,1048 17.868,1049 1.178,1050 10.874,1051 13.891,1052 8.548,1053 21.518,1054 10.518,1055 3.007,1056 10.248,1057 19.675,1058 0.505,1059 12.041,1060 15.44,1061 9.67,1062 23.864,1063 11.657,1064 2.681,1065 9.853,1066 21.492,1067 4.458,1068 13.051,1069 16.826,1070 10.509,1071 26.124,1072 12.637,1073 2.383,1074 7.701,1075 23.318,1076 4.146,1077 14.177,1078 18.335,1079 11.563,1080 28.448,1081 13.735,1082 2.322,1083 6.886,1084 25.151,1085 3.199,1086 15.234,1087 19.768,1088 12.452,1089 30.738,1090 14.762,1091 2.013,1092 6.704,1093 26.99,1094 3.17,1095 16.344,1096 21.259,1097 13.468,1098 33.054,1099 15.844,1100 1.927,1101 5.734,1102 28.834,1103 2.754,1104 17.425,1105 22.716,1106 14.386,1107 35.356,1108 16.896,1109 15843,1110 26354,1111 23.463,1112 38.978,1113 51.458,1114 53.321,1115 53.15,1116 51.481,1117 51.498,1118 66.756,1119 12.442,1120 145.061,1121 48.986,1122 5.516,1123 5.813,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 4.612,1129 17.078,1130 4.968,1131 15.904,1132 1.47,1133 1.523,1134 1.519,1135 1.471,1136 1.471,1137 1.907,1138 0.355,1139 4.145,1140 1.4,1141 4.08,1142 4.106,1143 4.041,1144 4,1145 7.815,1146 4.006,1147 4.01,1148 4.037,1149 3.974,1150 3.885,1151 6.999,1152 3.896,1153 3.828,1154 3.894,1155 3.722,1156 3.62,1157 5.016,1158 3.633,1159 3.556,1160 3.602,1161 3.484,1162 3.428,1163 4.823,1164 3.424,1165 3.509,1166 3.548,1167 3.436,1168 3.242,1169 4.581,1170 3.261,1171 3.404,1172 3.456,1173 3.272,1174 3.084,1175 4.418,1176 3.138,1177 3.271,1178 3.331,1179 3.108,1180 2.977,1181 4.305,1182 3.014,1183 3.111,1184 3.206,1185 2.948,1186 2.946,1187 4.211,1188 2.932,1189 0.129,1190 0.109,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.813,1197 0.075,1198 6.517,1199 0.293,1200 4.026,1201 0.085,1202 3.054,1203 4.458,1204 2.612,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.937,1214 1.913,1215 2.049,1216 2.104,1217 1.221,1218 2.078,1219 1.766,1220 1.697,1221 1.95,1222 2,1223 1.144,1224 1.982,1225 1.535,1226 1.49,1227 1.744,1228 1.73,1229 0.958,1230 1.722,1231 1.41,1232 1.346,1233 1.673,1234 1.672,1235 0.825,1236 1.655,1237 1.246,1238 1.2,1239 1.577,1240 1.604,1241 0.804,1242 1.561,1243 1.185,1244 1.128,1245 1.513,1246 1.516,1247 0.653,1248 1.536,1249 1.153,1250 1.064,1251 1.424,1252 1.376,1253 0.546,1254 1.429,1255 4.263,1257 5.572,1259 7.079,1261 8.678,1263 10.324,1265 3.436,1271 5.886,1273 11.158,1276 4.71,1280 37.266,1281 93.768,1282 200.365,1283 271.684,1284 306.904,1285 316.904,1286 316.904,1287 56.747,1288 7.961,1289 83.65,1290 83.65,1291 24,1292 12.551,1293 4.322,1294 3.524,1295 52.413,1296 173,1297 142,1298 0.146,1299 228.229,1300 397.02,1301 548.638,1302 38189,1304 22.501,1305 0.703,1306 0.578,1307 22.501,1308 18.49,1309 15.529,1310 0.444,1311 0.308,1312 10.587,1313 14.722,1314 10.306,1315 8.523,1316 15.529,1317 10.785,1318 13.842,1319 0.288,1320 0.167,1321 13.842,1322 8.005,1323 11.416,1324 0.184,1325 0.094,1326 11.416,1327 5.807,1328 9.482,1329 0.12,1330 0.051,1331 9.482,1332 4.045,1333 7.876,1334 0.08,1335 0.029,1336 7.876,1337 2.885,1338 0.241,1339 98.731,1340 0.206,1341 30.771,1342 0.372,1343 166,1344 519.523,1345 184.815,1346 489.819,1347 660.31,1348 458,1349 193,1350 482.407,1351 212.957,1352 482.161,1353 698.12,1354 450,1355 7.7} {0 CHEMBL193616,1 1.415,2 12.714,3 4.354,4 18.958,5 140.614,6 6.821,7 0.462,8 4.314,9 4.442,10 3.818,11 3.859,12 5.321,13 3.82,14 4.889,15 5.085,16 4.205,17 4.274,18 5.818,19 4.22,20 5.139,21 5.345,22 4.312,23 4.471,24 6.088,25 4.389,26 5.278,27 5.508,28 4.299,29 4.529,30 6.204,31 4.421,32 5.293,33 5.517,34 4.263,35 4.531,36 6.203,37 4.412,38 5.308,39 5.556,40 4.192,41 4.501,42 6.162,43 4.362,44 5.293,45 5.566,46 4.067,47 4.398,48 6.115,49 4.244,50 5.126,51 5.394,52 3.998,53 4.242,54 6.025,55 4.12,56 0.053,57 1.001,58 15.617,59 6.51,60 11.663,61 9.044,62 0.284,63 1.668,64 29.573,65 10.622,66 26.159,67 15.322,68 0.383,69 2.1,70 38.209,71 13.738,72 37.931,73 19.804,74 0.397,75 2.248,76 44.687,77 16.646,78 53.755,79 23.535,80 0.444,81 2.237,82 45.455,83 17.269,84 56.594,85 24.133,86 0.469,87 2.269,88 46.412,89 17.226,90 52.646,91 24.797,92 0.537,93 2.144,94 46.66,95 16.794,96 57.077,97 24.301,98 0.376,99 1.837,100 39.473,101 13.519,102 54.211,103 19.651,104 38,105 57,106 0.222,107 0.551,108 0.756,109 0.818,110 0.827,111 0.827,112 3.589,113 0.955,114 -4.64,115 -4.56,116 -4.29,119 42,120 4,121 1,124 1,125 3,127 2,140 7,141 5,142 3,143 1,144 1,156 1,169 12,171 1,172 10,176 2,178 15,181 1,182 12,184 1,189 14,192 1,193 10,199 13,202 1,203 6,208 1,211 16,214 1,215 7,218 1,220 1,222 13,225 1,226 10,229 1,231 1,233 8,237 6,242 1,244 6,248 2,249 7,252 1,254 1,256 9,259 2244,260 23.488,261 23.488,262 23.488,263 23.488,264 23.488,265 21.256,266 32.165,267 13.403,268 23.974,269 19.163,270 19.163,271 19.163,272 19.163,273 19.163,274 15.611,275 47.26,276 6.281,277 19.844,278 4.694,279 2.598,280 1.289,281 0.895,282 0.837,283 0.837,284 4.291,289 1,290 972,291 3.24,294 82.773,295 441.246,298 148.425,302 2.139,303 25.217,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 74,315 445,316 4.535,317 3.757,318 6.807,319 4.215,320 3.251,321 4.16,322 1.2,323 11.229,324 3.137,325 4.401,326 3.351,327 6.496,328 4.029,329 3.038,330 4.087,331 0.86,332 10.145,333 3.014,334 4.204,335 3.088,336 6.464,337 3.918,338 2.961,339 3.689,340 0.8,341 10.012,342 2.837,343 3.935,344 3.008,345 6.011,346 3.655,347 2.672,348 3.307,349 0.4,350 8.487,351 2.614,352 3.669,353 2.746,354 5.516,355 3.423,356 2.465,357 3.019,358 0.293,359 7.298,360 2.352,361 3.575,362 2.446,363 5.219,364 3.223,365 2.248,366 2.698,368 6.331,369 2.188,370 3.347,371 2.319,372 5.088,373 2.984,374 2.012,375 2.609,377 5.956,378 1.96,379 3.18,380 2.239,381 4.898,382 2.87,383 1.911,384 2.35,386 5.414,387 1.833,388 2.951,389 1.982,390 4.848,391 2.856,392 1.879,393 2.062,395 5.059,396 1.824,397 2.879,398 1.941,399 4.618,400 2.612,401 1.663,402 1.879,404 4.963,405 1.567,406 2.633,407 1.826,408 4.383,409 2.373,410 1.4,411 1.659,413 4.015,414 1.358,415 2.567,416 1.535,417 3.97,418 2.126,419 1.154,420 1.586,422 3.086,423 1.118,424 2.5,425 1.132,426 3.696,427 2,428 1,429 1.5,431 2.275,432 1,433 2.23,434 1.113,435 3.615,436 1.867,437 0.867,438 1.079,440 2.223,441 0.86,442 1.913,443 1,444 3.414,445 1.669,446 0.724,447 0.834,449 1.815,450 0.673,451 16.767,452 0.479,453 1.01,454 0.029,455 43.75,456 1.25,457 21,458 0.6,459 22.75,460 0.65,461 35.878,462 1.025,463 37.833,464 0.548,465 34.991,466 1,467 8.345,468 0.238,469 8.489,470 0.243,471 0.169,473 0.406,479 0.807,480 1.385,481 0.859,482 1.148,483 0.657,484 1.027,485 1.071,486 1.065,487 0.846,488 0.855,489 0.624,490 0.823,491 1.07,492 1.051,493 1.056,494 1.02,495 0.856,496 1.02,497 1.149,498 0.985,499 1.017,500 1.019,501 1.315,502 1.005,503 1.246,504 1.084,505 1.085,506 1.095,507 1.323,508 1.087,509 0.939,510 1.049,511 1.042,512 1.076,513 0.816,514 1.073,515 0.974,516 0.964,517 0.96,518 0.975,519 0.813,520 0.971,521 1.25,522 0.947,523 0.943,524 0.914,525 1.639,526 0.894,527 8,528 0.246,529 4.667,530 3.069,531 2.533,532 1.521,533 1.043,534 0.725,535 0.446,536 0.26,537 18450,538 39262,539 2.089,540 49.3,541 3,542 18,544 1,545 1,546 3,547 8,550 1.767,551 1.927,552 3.63,553 -0.43,559 97.633,560 1.415,561 3.511,562 4.82,563 5.213,564 5.271,565 5.271,566 3.055,567 4.651,568 5.1,569 3.842,570 2285.74,571 8.954,572 35430.8,577 421.488,578 1.489,579 5.047,580 0.205,581 0.007,582 0.082,583 0.05,584 0.043,585 0.027,586 0.02,587 0.016,588 0.011,589 0.007,590 0.469,591 0.33,592 0.75,593 0.729,594 189.036,595 0.012,596 -0.185,597 0.073,598 -0.06,599 -0.038,600 0.001,601 -0.003,602 0.063,603 0.137,604 0.149,605 0.073,606 0.157,607 -0.042,608 0.068,609 -0.076,610 -0.027,611 0.004,612 -0.046,613 -0.061,614 0.033,615 -0.031,616 -0.018,617 -0.035,618 -0.017,619 -0.069,620 -0.095,621 -0.096,622 -0.08,623 -0.107,624 -0.093,625 0.028,626 -0.062,627 -0.062,628 -0.082,629 -0.01,630 -0.082,631 0.078,632 -0.028,633 0.037,634 -0.001,635 0.103,636 0.01,637 -0.056,638 0.018,639 0.07,640 0.043,641 -0.005,642 0.07,643 1.629,644 6.586,645 0.771,646 40.175,647 0.99,648 1.125,649 3.41,650 11.63,651 0.657,652 3.689,653 4.06,654 4.369,655 4.673,656 4.927,657 5.056,658 5.226,659 5.389,660 5.481,661 5.595,662 7.737,663 0.615,664 470.67,665 3.689,666 5.263,667 6.138,668 7.041,669 7.933,670 8.84,671 9.738,672 10.647,673 11.548,674 12.459,675 5.8,677 1,681 1,682 1,685 1,688 8,689 1,693 9,695 18,703 1,709 1,712 1,714 69,716 19,717 2,718 39,720 73,721 29,722 17,723 6,724 6,725 1,730 5,731 6,736 4,740 3,743 3,745 18,746 11,750 1,755 1,759 1,764 34,765 6,766 1,767 6,773 4,777 0.8,778 2,786 1,792 1,793 4,796 1,814 1,819 4,823 5,827 35,833 4,834 1,835 1,837 2,838 2,847 2.9,850 1,852 1,854 18.167,855 14.017,856 7.556,857 4.31,858 3.365,859 1.393,860 0.985,861 6.564,862 11.937,863 3.912,864 4.516,865 5.098,866 5.662,867 6.218,868 6.493,869 6.887,870 7.229,871 7.516,872 7.831,873 1,874 61,875 13.002,877 5.547,878 7.538,879 25.473,881 21.469,883 2.038,884 71.333,888 388.446,889 164.563,890 41.045,892 36.145,895 164.563,896 424.591,897 41.045,898 46.184,899 11.976,900 84.344,901 58.406,902 52.613,904 376.675,906 388.446,907 205.608,908 36.145,911 294.278,912 130.314,915 77.092,916 111.731,917 16.786,919 388.446,920 77.19,921 164.563,924 388.446,925 42.998,926 127.814,927 18.011,928 52.93,929 388.446,930 77.19,931 164.563,933 0.593,934 0.355,935 0.197,936 0.109,937 29,938 14,939 0.055,940 4,941 1,942 1.074,943 4.441,944 347.5,945 0.074,946 27,947 169.525,951 23.84,952 9.637,953 4.675,955 77.19,956 16.217,957 4.369,961 9.159,963 18.011,964 630.199,965 49,970 13.586,974 0.038,975 68.316,976 77.64,977 0.232,978 0.575,979 0.789,980 0.853,981 0.863,982 0.863,983 5.19,984 1.911,985 6.151,986 5.956,987 4.745,988 5.204,989 1.893,990 7.006,991 4.682,992 6.402,993 1.879,994 7.74,995 5.414,996 4.443,997 5.066,998 0.57,999 7.97,1000 4.357,1001 7.719,1002 1.663,1003 9.425,1004 5.059,1005 6.389,1006 7.368,1007 1.815,1008 11.089,1009 6.267,1010 9.067,1011 1.4,1012 11.165,1013 4.963,1014 6.868,1015 8.01,1016 0.801,1017 12.86,1018 6.722,1019 10.447,1020 1.154,1021 12.94,1022 4.015,1023 8.313,1024 9.827,1025 1.914,1026 15.506,1027 8.137,1028 11.848,1029 1,1030 14.74,1031 3.086,1032 9.148,1033 10.832,1034 1.074,1035 17.619,1036 8.945,1037 13.266,1038 0.867,1039 16.558,1040 2.275,1041 10.4,1042 12.443,1043 2.092,1044 20.095,1045 10.169,1046 3.251,1047 0.724,1048 18.391,1049 2.223,1050 11.401,1051 13.634,1052 1.404,1053 22.358,1054 11.142,1055 3.038,1056 11.229,1057 20.234,1058 1.815,1059 12.579,1060 15.145,1061 2.32,1062 24.773,1063 12.292,1064 2.961,1065 10.145,1066 22.087,1067 4.16,1068 13.657,1069 16.435,1070 1.768,1071 27.102,1072 13.34,1073 2.672,1074 10.012,1075 23.947,1076 4.087,1077 14.809,1078 17.896,1079 2.581,1080 29.495,1081 14.464,1082 2.465,1083 8.487,1084 25.813,1085 3.689,1086 15.923,1087 19.24,1088 2.15,1089 31.856,1090 15.547,1091 2.248,1092 7.298,1093 27.684,1094 3.307,1095 17.069,1096 20.677,1097 2.867,1098 34.245,1099 16.664,1100 2.012,1101 6.331,1102 29.559,1103 3.019,1104 18.201,1105 22.051,1106 2.538,1107 36.622,1108 17.765,1109 17338,1110 25457,1111 25.778,1112 45.353,1113 60.129,1114 61.28,1115 62.396,1116 59.331,1117 59.364,1118 74.057,1119 7.106,1120 178.237,1121 57.48,1122 5.535,1123 5.757,1124 6.329,1125 5.283,1126 5.251,1127 7.16,1128 2.293,1129 18.637,1130 5.137,1131 19.73,1132 1.542,1133 1.571,1134 1.6,1135 1.521,1136 1.522,1137 1.899,1138 0.182,1139 4.57,1140 1.474,1141 4.081,1142 4.113,1143 4.034,1144 3.995,1145 7.428,1146 4,1147 3.98,1148 4.01,1149 3.933,1150 3.907,1151 4.907,1152 3.911,1153 3.832,1154 3.895,1155 3.746,1156 3.693,1157 4.846,1158 3.699,1159 3.76,1160 3.798,1161 3.678,1162 3.638,1163 4.641,1164 3.64,1165 3.476,1166 3.523,1167 3.386,1168 3.291,1169 4.455,1170 3.304,1171 3.367,1172 3.452,1173 3.151,1174 3.217,1175 4.4,1176 3.19,1177 3.295,1178 3.375,1179 3.132,1180 3.154,1181 4.004,1182 3.135,1183 3.197,1184 3.279,1185 3.063,1186 2.997,1187 3.933,1188 3.011,1189 0.116,1190 0.096,1191 0.175,1192 0.108,1193 0.083,1194 4.535,1195 0.107,1196 3.757,1197 0.031,1198 6.807,1199 0.288,1200 4.215,1201 0.08,1202 3.251,1203 4.16,1204 1.2,1205 11.229,1206 3.137,1207 1.994,1208 1.973,1209 2.082,1210 2.079,1211 1.331,1212 2.079,1213 1.92,1214 1.892,1215 2.045,1216 2.061,1217 1.214,1218 2.062,1219 1.772,1220 1.737,1221 1.919,1222 1.918,1223 1.166,1224 1.918,1225 1.744,1226 1.689,1227 1.895,1228 1.879,1229 1.018,1230 1.886,1231 1.481,1232 1.416,1233 1.733,1234 1.689,1235 0.97,1236 1.701,1237 1.405,1238 1.325,1239 1.714,1240 1.606,1241 0.937,1242 1.655,1243 1.324,1244 1.25,1245 1.65,1246 1.528,1247 0.732,1248 1.573,1249 1.22,1250 1.165,1251 1.568,1252 1.519,1253 0.597,1254 1.535,1255 4.369,1257 5.727,1258 2.398,1259 7.277,1260 4.727,1261 8.916,1262 6.843,1263 10.601,1265 10.198,1271 3.324,1272 3.59,1273 5.778,1275 0.779,1276 4.296,1280 42.417,1281 97.633,1282 242.231,1283 332.552,1284 359.714,1285 363.714,1286 363.714,1287 58.279,1288 8.572,1289 57.7,1290 57.7,1291 29,1292 12.975,1293 4.322,1294 3.459,1295 52.283,1296 162,1297 155,1298 0.156,1299 257.877,1300 450.94,1301 620.98,1302 70473,1304 24.69,1305 0.705,1306 0.607,1307 24.69,1308 21.26,1309 16.834,1310 0.432,1311 0.318,1312 12.267,1313 16.286,1314 11.76,1315 9.818,1316 16.834,1317 12.412,1318 15.74,1319 0.276,1320 0.175,1321 15.74,1322 9.951,1323 13.488,1324 0.173,1325 0.091,1326 13.488,1327 7.102,1328 11.655,1329 0.11,1330 0.051,1331 11.655,1332 5.436,1333 9.498,1334 0.069,1335 0.027,1336 9.498,1337 3.714,1338 0.247,1339 104.67,1340 0.197,1341 32.115,1342 0.425,1343 192,1344 470.739,1345 206.03,1346 459.834,1347 646.25,1348 434,1349 231,1350 489.675,1351 246.418,1352 502.041,1353 737.87,1354 471,1355 6.3} {0 CHEMBL194206,1 1.589,2 13.742,3 3.09,4 9.549,5 121.317,6 7.01,7 0.353,8 4.206,9 4.342,10 3.724,11 3.656,12 5.237,13 3.644,14 4.79,15 5,16 4.071,17 4.052,18 5.782,19 4.021,20 5.044,21 5.269,22 4.146,23 4.261,24 6.001,25 4.187,26 5.151,27 5.393,28 4.06,29 4.288,30 6.074,31 4.171,32 5.173,33 5.445,34 4.008,35 4.233,36 6.061,37 4.108,38 5.034,39 5.286,40 3.944,41 4.15,42 5.917,43 4.032,44 5.007,45 5.276,46 3.894,47 4.039,48 5.99,49 3.928,50 4.919,51 5.192,52 3.788,53 3.872,54 5.951,55 3.799,56 0.024,57 0.984,58 13.845,59 5.189,60 7.389,61 7.501,62 0.435,63 1.554,64 27.375,65 7.946,66 31.223,67 12.19,68 0.496,69 1.903,70 35.638,71 11.425,72 41.689,73 16.749,74 0.423,75 1.891,76 40.107,77 13.581,78 57.644,79 19.829,80 0.736,81 1.776,82 42.407,83 12.88,84 68.756,85 19.666,86 0.478,87 1.677,88 35.948,89 11.769,90 41.096,91 17.515,92 0.556,93 1.642,94 35.982,95 10.928,96 64.082,97 16.346,98 0.679,99 1.398,100 34.135,101 8.461,102 74.095,103 13.036,104 18,105 47,106 0.258,107 0.509,108 0.646,109 0.753,110 0.811,111 0.811,112 3.471,113 0.945,114 -3.4,115 -3.38,116 -3.24,119 37.7,124 2,125 8,140 7,142 5,157 1,169 3,171 1,172 4,174 2,176 2,178 3,181 3,182 5,186 1,189 3,193 5,195 1,202 1,203 5,206 2,214 3,215 3,225 2,226 5,229 1,231 2,237 3,242 2,248 3,256 4,259 1658,260 21.041,261 21.041,262 21.041,263 21.041,264 21.041,265 19.46,266 34.215,267 12.295,268 21.765,269 16.69,270 16.69,271 16.69,272 16.69,273 16.69,274 14.209,275 51.188,276 5.76,277 17.76,278 4.342,279 2.802,280 1.958,281 1.3,282 0.943,283 0.943,284 4.168,288 1,289 1,290 922,291 3.082,295 448.668,302 2.154,303 28.962,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 68,315 426,316 4.354,317 3.692,318 6.521,319 4.007,320 3.059,321 3.963,322 1.701,323 10.269,324 2.899,325 4.14,326 3.301,327 6.172,328 3.86,329 2.92,330 3.675,331 0.86,332 9.134,333 2.743,334 3.964,335 3.123,336 6.013,337 3.679,338 2.729,339 3.18,340 0.8,341 8.579,342 2.584,343 3.627,344 2.835,345 5.352,346 3.398,347 2.465,348 2.889,349 0.8,350 6.878,351 2.298,352 3.557,353 2.78,354 5.208,355 3.246,356 2.314,357 2.771,358 0.8,359 6.414,360 2.143,361 3.416,362 2.441,363 5.043,364 3.123,365 2.184,366 2.526,367 0.563,368 6.087,369 2.041,370 3.101,371 2.401,372 4.923,373 2.874,374 1.965,375 2.18,376 0.075,377 5.603,378 1.782,379 2.885,380 2.243,381 4.402,382 2.565,383 1.594,384 1.923,386 4.295,387 1.534,388 2.5,389 1.638,390 4.028,391 2.112,392 1.152,393 1.5,395 3.194,396 1.104,397 2.468,398 1.335,399 3.94,400 2.094,401 1.127,402 1.46,404 3.002,405 1.077,406 2.38,407 1.146,408 3.414,409 2,410 1,411 1.319,413 2.275,414 1,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.095,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.794,434 1,435 3.019,436 1.512,437 0.627,438 0.703,440 1.106,441 0.548,442 1.154,443 0.546,444 2.757,445 0.86,446 -0.062,447 -0.071,449 -0.132,450 -0.056,451 14.452,452 0.466,453 0.729,454 0.024,455 37,456 1.194,457 15.5,458 0.5,459 21.5,460 0.694,461 27.887,462 0.9,463 35.348,464 0.579,465 29.367,466 0.947,467 7.62,468 0.246,469 7.409,470 0.239,471 0.112,473 0.318,477 1,479 0.744,480 1.535,481 0.814,482 1.315,483 0.525,484 1.113,485 1.004,486 1.01,487 0.94,488 0.856,489 0.535,490 0.861,491 1,492 1.003,493 1.075,494 1.034,495 0.831,496 1.049,497 0.894,498 1.065,499 1.047,500 1.195,501 0.961,502 1.164,503 0.828,504 0.719,505 0.928,506 0.874,507 0.841,508 0.917,509 0.781,510 1.005,511 0.982,512 1.106,513 0.673,514 1.093,515 0.931,516 1.116,517 0.951,518 1.068,519 1.081,520 1.019,521 1.547,522 0.845,523 1.055,524 0.751,525 1.693,526 0.791,527 6.5,528 0.128,529 4,530 1.688,531 1.56,532 1.083,533 0.807,534 0.573,535 0.324,536 0.168,537 14174,538 35903,539 2.084,540 49.2,542 29,545 1,550 1.733,551 1.958,552 3.713,553 -0.329,555 1,559 96.917,560 1.589,561 3.129,562 3.973,563 4.631,564 4.988,565 4.988,566 3.205,567 4.503,568 4.924,569 3.881,570 1804.72,571 8.583,572 26539.2,574 1,577 361.775,578 1.383,579 4.888,580 0.191,581 0.005,582 0.085,583 0.034,584 0.036,585 0.026,586 0.021,587 0.016,588 0.01,589 0.006,590 0.432,591 0.5,592 1,593 0.701,594 163.525,595 -0.021,596 -0.349,597 0.075,598 -0.172,599 -0.006,600 -0.056,601 -0.055,602 0.059,603 0.026,604 0.12,605 0.066,606 0.098,607 -0.084,608 0.061,609 -0.116,610 -0.028,611 -0.026,612 -0.064,613 -0.056,614 -0.145,615 -0.1,616 -0.173,617 -0.064,618 -0.152,619 0.031,620 0.079,621 0.041,622 0.076,623 -0.033,624 0.06,625 0.031,626 -0.12,627 -0.032,628 -0.11,629 -0.012,630 -0.093,631 0.077,632 -0.117,633 0.044,634 -0.099,635 0.019,636 -0.042,637 -0.174,638 0.106,639 0.006,640 0.135,641 -0.126,642 0.116,643 1.905,644 5.836,645 0.774,646 35.274,647 1.003,648 1.142,649 2.172,650 4.719,651 0.636,652 3.555,653 3.871,654 4.127,655 4.344,656 4.605,657 4.644,658 4.745,659 4.804,660 4.86,661 4.934,662 7.797,663 0.603,664 427.58,665 3.555,666 5.094,667 5.938,668 6.804,669 7.662,670 8.531,671 9.396,672 10.266,673 11.132,674 12.003,675 8.2,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 1,713 1,714 61,716 13,717 2,718 34,720 64,721 23,722 12,723 5,724 7,730 4,731 4,735 1,745 13,746 10,750 1,755 1,759 1,761 1,762 1,764 30,765 8,766 1,767 8,773 5,777 1,778 2,793 4,815 1,819 4,823 2,825 1,827 31,833 8,834 1,835 1,838 4,846 1,847 3.3,850 1,852 1,854 15.833,855 11.36,856 6.861,857 3.623,858 2.091,859 1.27,860 0.977,861 7.078,862 9.827,863 3.738,864 4.248,865 4.723,866 5.183,867 5.673,868 5.761,869 5.976,870 6.141,871 6.26,872 6.474,873 1,874 49,875 11.523,877 4.85,878 7.726,879 22.27,881 18.249,883 2.226,884 69,887 1,888 341.362,889 129.369,890 30.508,892 36.145,893 14.96,895 129.369,896 377.507,897 45.468,898 19.279,899 37.981,900 66.334,901 25.145,902 43.008,903 19.236,904 341.362,906 341.362,907 159.877,908 51.105,911 356.322,912 36.145,915 41.105,916 118.772,919 356.322,920 66.653,921 129.369,924 341.362,925 43.756,926 98.11,927 18.011,928 51.105,929 341.362,930 81.613,931 129.369,933 0.581,934 0.34,935 0.175,936 0.101,937 22,938 10,939 0.063,940 4,942 1,943 4.289,944 273.287,946 24,947 141.58,951 22.028,952 9.96,953 5.36,955 81.613,956 12.286,961 3.33,963 18.011,964 552.344,965 41,970 12.836,974 -0.103,975 61.163,976 69.648,977 0.268,978 0.528,979 0.67,980 0.781,981 0.841,982 0.841,983 4.99,984 1.594,985 5.916,986 5.603,987 4.554,988 4.934,989 2.379,990 6.698,991 4.437,992 6.152,993 1.152,994 7.461,995 4.295,996 4.111,997 4.649,998 1.577,999 7.545,1000 3.903,1001 7.433,1002 1.127,1003 9.101,1004 3.194,1005 6.129,1006 6.97,1007 2.694,1008 10.599,1009 5.894,1010 8.742,1011 1,1012 10.796,1013 3.002,1014 6.479,1015 7.468,1016 2.548,1017 12.259,1018 6.153,1019 10.082,1020 1,1021 12.527,1022 2.275,1023 7.961,1024 9.299,1025 3.441,1026 14.826,1027 7.611,1028 11.442,1029 1,1030 14.282,1031 2.275,1032 8.679,1033 10.165,1034 3.624,1035 16.836,1036 8.247,1037 12.817,1038 0.627,1039 16.056,1040 2.275,1041 9.936,1042 11.784,1043 4.372,1044 19.229,1045 9.473,1046 3.059,1047 -0.062,1048 17.844,1049 1.106,1050 10.839,1051 12.85,1052 4.72,1053 21.397,1054 10.302,1055 2.92,1056 10.269,1057 19.643,1058 -0.132,1059 11.996,1060 14.359,1061 5.376,1062 23.727,1063 11.421,1064 2.729,1065 9.134,1066 21.451,1067 3.963,1068 12.992,1069 15.541,1070 5.809,1071 25.968,1072 12.351,1073 2.465,1074 8.579,1075 23.266,1076 3.675,1077 14.108,1078 16.989,1079 6.41,1080 28.278,1081 13.422,1082 2.314,1083 6.878,1084 25.088,1085 3.18,1086 15.152,1087 18.242,1088 6.887,1089 30.554,1090 14.405,1091 2.184,1092 6.414,1093 26.915,1094 2.889,1095 16.251,1096 19.654,1097 7.458,1098 32.86,1099 15.456,1100 1.965,1101 6.087,1102 28.746,1103 2.771,1104 17.32,1105 20.95,1106 7.96,1107 35.153,1108 16.466,1109 13439,1110 21549,1111 22.77,1112 38.773,1113 50.607,1114 51.716,1115 52.314,1116 50.375,1117 50.271,1118 60.18,1119 11.2,1120 142.773,1121 47.365,1122 5.354,1123 5.692,1124 6.062,1125 5.075,1126 5.059,1127 6.963,1128 2.972,1129 16.994,1130 4.899,1131 15.175,1132 1.488,1133 1.521,1134 1.539,1135 1.482,1136 1.479,1137 1.77,1138 0.329,1139 4.199,1140 1.393,1141 4.006,1142 4.051,1143 3.947,1144 3.882,1145 8.201,1146 3.892,1147 3.933,1148 3.975,1149 3.876,1150 3.832,1151 7.429,1152 3.837,1153 3.766,1154 3.83,1155 3.673,1156 3.566,1157 4.864,1158 3.58,1159 3.714,1160 3.77,1161 3.607,1162 3.541,1163 4.663,1164 3.549,1165 3.361,1166 3.412,1167 3.285,1168 3.075,1169 4.423,1170 3.12,1171 3.212,1172 3.303,1173 3.039,1174 2.941,1175 4.349,1176 2.94,1177 3.169,1178 3.245,1179 3.01,1180 2.941,1181 4.229,1182 2.925,1183 3.111,1184 3.206,1185 2.866,1186 2.94,1187 3.886,1188 2.91,1189 0.128,1190 0.109,1191 0.192,1192 0.118,1193 0.09,1194 4.354,1195 0.117,1196 3.692,1197 0.05,1198 6.521,1199 0.302,1200 4.007,1201 0.085,1202 3.059,1203 3.963,1204 1.701,1205 10.269,1206 2.899,1207 1.922,1208 1.889,1209 2.041,1210 2.08,1211 1.306,1212 2.071,1213 1.903,1214 1.87,1215 2.026,1216 2.049,1217 1.292,1218 2.045,1219 1.717,1220 1.649,1221 1.906,1222 1.922,1223 1.051,1224 1.919,1225 1.677,1226 1.614,1227 1.866,1228 1.861,1229 1.009,1230 1.865,1231 1.243,1232 1.186,1233 1.573,1234 1.563,1235 0.825,1236 1.554,1237 1.174,1238 1.074,1239 1.54,1240 1.475,1241 0.825,1242 1.497,1243 1.153,1244 1.064,1245 1.513,1246 1.399,1247 0.641,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.576,1254 1.429,1255 4.234,1257 5.549,1259 7.062,1261 8.657,1263 10.293,1265 3.8,1267 13.148,1271 6.513,1272 3.04,1273 5.556,1276 8.595,1280 36.768,1281 96.917,1282 190.855,1283 242.349,1284 282.491,1285 304.265,1286 304.265,1287 54.868,1288 7.736,1289 51.29,1290 51.29,1291 24,1292 12.547,1293 3.807,1294 3,1295 49.669,1296 146,1297 154,1298 0.164,1299 224.491,1300 395.39,1301 539.518,1302 26222,1303 1.6,1304 21.794,1305 0.703,1306 0.587,1307 20.924,1308 18.182,1309 15.029,1310 0.442,1311 0.315,1312 10.493,1313 14.216,1314 10.239,1315 8.441,1316 14.635,1317 10.713,1318 13.439,1319 0.286,1320 0.171,1321 12.817,1322 8.058,1323 11.401,1324 0.187,1325 0.099,1326 10.99,1327 6.033,1328 9.032,1329 0.119,1330 0.054,1331 8.881,1332 4.084,1333 7.584,1334 0.077,1335 0.03,1336 7.36,1337 2.963,1338 0.264,1339 95.564,1340 0.21,1341 29.576,1342 0.433,1343 162,1344 508.495,1345 182.136,1346 457.708,1347 616.37,1348 430,1349 189,1350 443.98,1351 209.716,1352 442.517,1353 644.84,1354 414,1355 6.774} {0 CHEMBL194305,1 1.402,2 6.944,3 2.293,4 5.258,5 74.565,6 6.732,7 0.5,8 3.678,9 3.807,10 3.173,11 3.218,12 4.668,13 3.181,14 4.225,15 4.415,16 3.508,17 3.616,18 5.137,19 3.556,20 4.398,21 4.608,22 3.529,23 3.751,24 5.262,25 3.656,26 4.449,27 4.672,28 3.451,29 3.766,30 5.256,31 3.634,32 4.451,33 4.686,34 3.375,35 3.701,36 5.258,37 3.556,38 4.491,39 4.768,40 3.16,41 3.566,42 5.236,43 3.385,44 4.316,45 4.624,46 2.697,47 3.204,48 5.024,49 3.009,50 3.845,51 4.142,52 2.117,53 2.758,54 4.558,55 2.514,56 0.041,57 0.517,58 8.375,59 3.381,60 6.53,61 4.703,62 0.133,63 0.833,64 15.255,65 5.634,66 14.566,67 7.97,68 0.148,69 0.973,70 18.155,71 6.918,72 16.387,73 9.868,74 0.104,75 0.995,76 18.958,77 7.824,78 14.79,79 11.104,80 0.157,81 0.98,82 19.22,83 7.57,84 16.833,85 10.918,86 0.175,87 0.963,88 20.596,89 7.44,90 19.746,91 10.937,92 0.251,93 0.736,94 18.117,95 5.468,96 21.159,97 8.143,98 0.177,99 0.444,100 11.1,101 3.781,102 14.711,103 5.488,104 6,105 28,106 0.257,107 0.653,108 0.844,109 0.868,110 0.868,111 0.868,112 2.963,113 0.954,114 -3.12,115 -3.12,116 -3,119 41.7,120 1,121 1,124 1,125 2,134 1,135 1,140 3,141 2,142 1,150 2,169 6,172 2,176 6,178 8,182 2,186 4,189 8,193 1,197 3,199 8,203 1,206 1,208 1,211 4,215 3,219 1,220 2,222 2,231 1,240 1,242 1,259 348,260 12.439,261 12.439,262 12.439,263 12.439,264 12.439,265 11.035,266 13.896,267 7.354,268 12.752,269 9.826,270 9.826,271 9.826,272 9.826,273 9.826,274 7.598,275 14.552,276 3.423,277 10.215,278 3.768,279 1.605,280 0.563,281 0.431,282 0.431,283 0.431,284 3.641,287 1,288 1,289 1,290 269,291 2,294 33.092,295 88.073,298 62.226,302 0.957,303 8.576,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38,315 125,316 4.691,317 3.344,318 6.915,319 4.251,320 3.265,321 4.632,322 0.86,323 11.626,324 3.22,325 3.952,326 2.837,327 5.824,328 3.544,329 2.568,330 3.414,331 0.657,332 7.977,333 2.507,334 3.638,335 2.586,336 5.251,337 3.22,338 2.273,339 3.001,341 6.591,342 2.147,343 3.23,344 2.117,345 4.972,346 2.84,347 1.876,348 2.453,350 5.37,351 1.803,352 3.037,353 1.87,354 4.636,355 2.595,356 1.633,357 2.263,359 4.592,360 1.569,361 2.479,362 1.508,363 3.681,364 2.258,365 1.301,366 1.463,368 2.971,369 1.241,370 2.141,371 1.337,372 3.348,373 1.984,374 1,375 1.052,377 2.136,378 0.983,379 2.003,380 1.098,381 3.247,382 1.613,383 0.68,384 0.887,386 1.59,387 0.628,388 1.595,389 0.615,390 2.861,391 1.295,392 0.393,393 0.462,395 0.684,396 0.352,397 0.956,398 0.044,399 2.48,400 0.669,401 -0.285,402 -0.33,404 -0.621,405 -0.271,406 0.642,407 -0.494,408 2.375,409 0.238,410 -0.75,411 -0.873,413 -1.83,414 -0.739,415 0.463,416 -0.507,417 2.118,418 0.095,419 -0.85,420 -1.062,422 -2.02,423 -0.791,424 0.297,425 -0.654,426 1.795,427 -0.006,428 -1,429 -1.132,431 -2.347,432 -0.946,433 0.145,434 -0.912,435 1.555,436 -0.049,437 -1,438 -1.362,440 -2.912,441 -0.994,442 -0.293,443 -1.196,444 1.422,445 -0.659,446 -1.552,447 -1.825,449 -4.052,450 -1.367,451 8.633,452 0.48,453 0.38,454 0.021,455 21.5,456 1.194,457 10,458 0.556,459 11.5,460 0.639,461 13.954,462 0.775,463 19.567,464 0.544,465 13.086,466 0.727,467 4.371,468 0.243,469 4.421,470 0.246,471 0.116,473 0.347,479 0.999,480 1.24,481 0.892,482 1.073,483 0.984,484 0.979,485 1.315,486 1.005,487 0.913,488 0.863,489 1.026,490 0.847,491 1.065,492 0.977,493 1.022,494 0.967,495 0.972,496 0.981,497 0.667,498 1.142,499 1.016,500 1.172,501 0.797,502 1.14,503 0.605,504 1.189,505 1.048,506 1.226,507 0.869,508 1.191,509 0.822,510 1.138,511 1.047,512 1.169,513 0.846,514 1.138,515 1.814,516 0.777,517 1.155,518 0.809,519 1.616,520 0.896,521 1.341,522 0.968,523 1.198,524 1.062,525 1.463,526 1.126,527 3,529 1.778,530 1.667,531 0.969,532 0.57,533 0.297,534 0.071,535 0.033,536 0.016,537 2567,538 5538,539 2.12,540 50,542 11,545 2,546 3,547 2,550 1.593,551 2,552 2.824,553 0.32,555 1,557 1,559 50.455,560 1.402,561 3.565,562 4.607,563 4.739,564 4.739,565 4.739,566 2.213,567 3.461,568 4.141,569 2.876,570 439.997,571 7.06,572 4024.15,573 1,574 1,576 1,577 186.117,578 1.352,579 4.109,580 0.15,582 0.063,583 0.06,584 0.039,585 0.026,586 0.019,587 0.008,588 0.008,589 0.016,590 0.388,591 1,592 1,593 0.816,594 74.309,595 -0.034,596 -0.046,597 0.059,598 -0.001,599 -0.043,600 0.036,601 -0.127,602 0.088,603 0.072,604 0.149,605 0.025,606 0.134,607 -0.131,608 0.091,609 -0.063,610 0.044,611 -0.057,612 0.008,613 -0.014,614 -0.137,615 -0.088,616 -0.136,617 -0.032,618 -0.123,619 0.114,620 -0.193,621 -0.109,622 -0.218,623 -0.04,624 -0.193,625 0.055,626 -0.201,627 -0.081,628 -0.219,629 0.072,630 -0.174,631 -0.249,632 0.11,633 -0.113,634 0.064,635 -0.263,636 0.003,637 0.034,638 -0.129,639 -0.189,640 -0.142,641 -0.171,642 -0.191,643 0.753,644 1.828,645 0.833,646 10.519,647 0.989,648 1.126,649 1.892,650 3.581,651 0.654,652 3.045,653 3.367,654 3.689,655 4.007,656 4.234,657 4.277,658 4.382,659 4.407,660 4.22,661 4.094,662 4.191,663 0.61,664 242.35,665 3.045,666 4.575,667 5.442,668 6.337,669 7.229,670 8.135,671 9.036,672 9.946,673 10.852,674 11.764,675 5.6,677 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 36,716 11,717 1,718 20,720 38,721 15,722 8,723 3,724 3,725 2,730 3,731 4,736 1,740 1,743 1,745 10,746 5,750 1,757 1,759 1,761 1,764 18,765 2,766 2,767 3,773 2,777 0.667,778 1,788 1,792 1,793 2,796 1,810 1,811 1,814 1,819 2,823 2,827 18,833 3,834 1,835 1,847 2.8,852 1,854 9,855 7,856 4.028,857 2.153,858 2.373,859 1.362,860 1.015,861 3.039,862 8.928,863 3.296,864 3.937,865 4.601,866 5.277,867 5.816,868 6.174,869 6.565,870 6.891,871 6.817,872 6.891,873 0.8,874 28,875 6.643,877 2.758,878 7.444,879 13.139,881 10.867,883 1.944,884 35,885 0.003,888 188.338,889 83.448,890 34.796,892 11,895 83.448,896 199.338,897 34.796,898 19.708,899 6.746,900 55.916,902 41.973,903 4.901,904 188.338,906 188.338,907 118.244,908 11,911 164.795,912 34.542,915 50.367,916 58.4,917 9.476,919 188.338,920 45.796,921 83.448,924 188.338,925 25.834,926 57.613,927 34.796,928 11,929 188.338,930 45.796,931 83.448,933 0.574,934 0.35,935 0.203,936 0.116,937 15,938 6,939 0.053,940 2,941 1,942 1.133,943 3.016,944 134.938,945 0.133,946 15,947 75.059,951 11.662,952 4.69,953 2.046,954 2.447,955 29.011,956 6.211,958 3.459,961 3.508,963 34.796,964 317.581,965 26,972 2.29,974 1.436,975 35.6,976 40.528,977 0.271,978 0.69,979 0.891,980 0.917,981 0.917,982 0.917,983 4.527,984 0.68,985 5.425,986 2.136,987 4.043,988 4.62,989 1.207,990 6.271,991 3.98,992 5.745,993 0.393,994 6.999,995 1.59,996 3.611,997 4.543,999 7.252,1000 3.544,1001 7.075,1002 -0.285,1003 8.678,1004 0.684,1005 5.652,1006 6.924,1007 0.903,1008 10.409,1009 5.552,1010 8.448,1011 -0.75,1012 10.422,1013 -0.621,1014 6.089,1015 7.731,1017 12.284,1018 5.989,1019 9.858,1020 -0.85,1021 12.209,1022 -1.83,1023 7.589,1024 9.583,1025 0.678,1026 14.963,1027 7.467,1028 11.295,1029 -1,1030 14.026,1031 -2.02,1032 8.435,1033 10.795,1035 17.198,1036 8.313,1037 12.754,1038 -1,1039 15.868,1040 -2.347,1041 9.725,1042 12.445,1043 0.512,1044 19.724,1045 9.587,1046 3.265,1047 -1.552,1048 17.727,1049 -2.912,1050 10.76,1051 13.841,1053 22.096,1054 10.616,1055 2.568,1056 11.626,1057 19.6,1058 -4.052,1059 11.972,1060 15.415,1061 0.387,1062 24.572,1063 11.816,1064 2.273,1065 7.977,1066 21.486,1067 4.632,1068 13.089,1069 16.89,1071 26.995,1072 12.925,1073 1.876,1074 6.591,1075 23.38,1076 3.414,1077 14.276,1078 18.436,1079 0.293,1080 29.455,1081 14.099,1082 1.633,1083 5.37,1084 25.282,1085 3.001,1086 15.429,1087 19.945,1089 31.897,1090 15.241,1091 1.301,1092 4.592,1093 27.189,1094 2.453,1095 16.61,1096 21.481,1097 0.221,1098 34.352,1099 16.409,1100 1,1101 2.971,1102 29.102,1103 2.263,1104 17.778,1105 23.003,1107 36.801,1108 17.566,1109 2541,1110 3798,1111 13.523,1112 23.557,1113 30.131,1114 30.522,1115 31.068,1116 29.919,1117 29.976,1118 39.253,1119 3.035,1120 87.071,1121 28.897,1122 5.613,1123 5.344,1124 6.717,1125 5.286,1126 5.265,1127 7.632,1128 1.72,1129 18.772,1130 5.22,1131 6.975,1132 1.507,1133 1.526,1134 1.553,1135 1.496,1136 1.499,1137 1.963,1138 0.152,1139 4.354,1140 1.445,1141 4.152,1142 4.181,1143 4.116,1144 4.073,1145 4.996,1146 4.08,1147 3.779,1148 3.838,1149 3.674,1150 3.655,1151 4.636,1152 3.653,1153 3.51,1154 3.556,1155 3.412,1156 3.338,1157 4.447,1158 3.346,1159 3.193,1160 3.273,1161 2.991,1162 2.942,1163 4.078,1164 2.943,1165 3.045,1166 3.133,1167 2.869,1168 2.886,1169 3.794,1170 2.863,1171 3.002,1172 3.09,1173 2.789,1174 2.825,1175 3.596,1176 2.809,1177 2.877,1178 2.983,1179 2.638,1180 2.67,1181 3.56,1182 2.648,1183 2.786,1184 2.867,1185 2.613,1186 2.596,1187 3.439,1188 2.593,1189 0.235,1190 0.167,1191 0.346,1192 0.213,1193 0.163,1194 4.691,1195 0.232,1196 3.344,1197 0.043,1198 6.915,1199 0.581,1200 4.251,1201 0.161,1202 3.265,1203 4.632,1204 0.86,1205 11.626,1206 3.22,1207 1.953,1208 1.935,1209 2.049,1210 2.039,1211 1.297,1212 2.043,1213 1.812,1214 1.767,1215 1.96,1216 1.971,1217 1.111,1218 1.972,1219 1.535,1220 1.468,1221 1.759,1222 1.744,1223 0.881,1224 1.751,1225 1.217,1226 1.155,1227 1.572,1228 1.523,1229 0.689,1230 1.538,1231 1.08,1232 0.995,1233 1.434,1234 1.299,1235 0.58,1236 1.351,1237 1.001,1238 0.92,1239 1.294,1240 1.226,1241 0.434,1242 1.257,1243 0.879,1244 0.789,1245 1.159,1246 1.152,1247 0.239,1248 1.17,1249 0.783,1250 0.701,1251 1.079,1252 0.995,1253 0.182,1254 1.031,1255 3.714,1257 5.03,1258 2.398,1259 6.561,1260 4.844,1261 8.187,1262 7.034,1263 9.864,1265 3.856,1271 3.109,1272 3.355,1273 5.328,1280 21.972,1281 50.455,1282 128.343,1283 165.853,1284 170.608,1285 170.608,1286 170.608,1287 18.013,1288 6.555,1289 37.05,1290 37.05,1291 17,1292 12.279,1293 3.585,1294 2.807,1295 25.525,1296 44,1297 47,1298 0.296,1299 135.423,1300 226.77,1301 322.193,1302 4993,1304 12.535,1305 0.696,1306 0.602,1307 12.535,1308 10.839,1309 8.792,1310 0.44,1311 0.318,1312 6.276,1313 8.491,1314 6.053,1315 5.049,1316 8.792,1317 6.358,1318 7.7,1319 0.275,1320 0.169,1321 7.7,1322 4.72,1323 6.754,1324 0.173,1325 0.092,1326 6.754,1327 3.578,1328 5.884,1329 0.109,1330 0.05,1331 5.884,1332 2.696,1333 4.83,1334 0.071,1335 0.028,1336 4.83,1337 1.883,1338 0.436,1339 54.776,1340 0.272,1341 17.584,1342 0.902,1343 96,1344 230.401,1345 102.32,1346 224.761,1347 318.88,1348 214,1349 115,1350 240.926,1351 121.155,1352 248.034,1353 363.67,1354 233,1355 6} {0 CHEMBL194610,1 1.528,2 10.172,3 4.418,4 19.517,5 118.102,6 7.263,7 0.375,8 4.128,9 4.251,10 3.684,11 3.661,12 5.127,13 3.623,14 4.719,15 4.916,16 4.089,17 4.082,18 5.643,19 4.03,20 4.975,21 5.178,22 4.207,23 4.296,24 5.918,25 4.212,26 5.133,27 5.357,28 4.174,29 4.354,30 6.068,31 4.237,32 5.2,33 5.461,34 4.144,35 4.311,36 6.102,37 4.186,38 5.061,39 5.299,40 4.088,41 4.281,42 5.921,43 4.159,44 5.084,45 5.324,46 4.054,47 4.273,48 5.952,49 4.124,50 5.038,51 5.307,52 3.858,53 4.13,54 5.886,55 3.97,56 0.017,57 0.816,58 12.519,59 5.359,60 8.512,61 7.359,62 0.274,63 1.365,64 25.597,65 8.671,66 23.427,67 12.377,68 0.346,69 1.706,70 34.6,71 11.832,72 31.31,73 16.646,74 0.339,75 1.87,76 40.369,77 14.491,78 48.087,79 20.109,80 0.633,81 1.871,82 46.446,83 15.099,84 71.718,85 21.298,86 0.431,87 1.73,88 37.426,89 13.409,90 40.838,91 18.89,92 0.456,93 1.706,94 40.981,95 14.273,96 47.287,97 19.818,98 0.422,99 1.564,100 40.99,101 12.971,102 53.681,103 18.311,104 38,105 47,106 0.252,107 0.557,108 0.771,109 0.831,110 0.831,111 0.831,112 3.409,113 0.986,114 -4.63,115 -4.55,116 -4.28,119 40.4,120 2,121 1,124 2,125 3,127 2,140 6,141 2,142 4,156 1,169 6,171 1,172 9,178 8,181 2,182 10,189 6,192 1,193 7,199 5,202 1,203 7,211 9,214 2,215 4,222 7,225 2,226 6,233 9,237 4,244 4,248 1,249 6,256 2,259 1269,260 19.317,261 19.317,262 19.317,263 19.317,264 19.317,265 17.799,266 29.107,267 10.938,268 19.917,269 15.667,270 15.667,271 15.667,272 15.667,273 15.667,274 13.175,275 43.71,276 5.079,277 16.576,278 4.305,279 2.454,280 1.159,281 0.79,282 0.79,283 0.79,284 4.099,285 1,288 1,289 1,290 633,291 3.082,294 65.233,295 252.602,298 115.272,302 1.501,303 24.199,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 61.833,315 295,316 4.535,317 3.759,318 6.809,319 4.218,320 3.255,321 4.157,322 1.2,323 11.237,324 3.135,325 4.255,326 3.391,327 6.524,328 3.993,329 3.046,330 3.805,331 0.86,332 10.222,333 2.887,334 4.024,335 3.156,336 6.243,337 3.795,338 2.83,339 3.332,340 0.8,341 9.064,342 2.729,343 3.841,344 2.945,345 6.012,346 3.558,347 2.609,348 2.967,349 0.8,350 8.458,351 2.468,352 3.58,353 2.851,354 5.326,355 3.168,356 2.24,357 2.86,358 0.293,359 6.594,360 2.043,361 3.228,362 2.45,363 5.113,364 2.914,365 1.999,366 2.404,368 5.916,369 1.833,370 2.917,371 1.982,372 4.879,373 2.856,374 1.879,375 2.02,377 5.225,378 1.805,379 2.879,380 1.982,381 4.808,382 2.585,383 1.649,384 1.879,386 5.027,387 1.516,388 2.717,389 1.863,390 4.407,391 2.392,392 1.427,393 1.759,395 4.072,396 1.355,397 2.612,398 1.571,399 3.78,400 2.174,401 1.196,402 1.649,404 2.659,405 1.146,406 2.215,407 1.193,408 3.635,409 1.878,410 0.895,411 1.056,413 2.286,414 0.873,415 1.966,416 1.176,417 3.443,418 1.712,419 0.741,420 0.89,422 1.817,423 0.707,424 1.497,425 0.81,426 3.047,427 1.313,428 0.368,429 0.379,431 0.816,432 0.344,433 1.399,434 0.556,435 2.819,436 1.22,437 0.293,438 0.342,440 0.517,441 0.271,442 0.944,443 0.209,444 2.653,445 0.606,446 -0.347,447 -0.347,449 -0.897,450 -0.255,451 14.081,452 0.486,453 0.874,454 0.03,455 34.25,456 1.181,457 15,458 0.517,459 19.25,460 0.664,461 29.906,462 1.031,463 32.119,464 0.563,465 26.091,466 0.9,467 6.543,468 0.226,469 7.341,470 0.253,471 0.216,473 0.405,479 0.735,480 1.529,481 0.696,482 1.148,483 0.582,484 1.038,485 1.058,486 1.053,487 0.724,488 0.764,489 0.578,490 0.774,491 1.007,492 1.073,493 0.973,494 1.01,495 0.769,496 1.012,497 1.045,498 1.143,499 0.904,500 1.103,501 1.244,502 1.099,503 1.024,504 0.898,505 0.76,506 0.867,507 1.046,508 0.865,509 0.92,510 0.977,511 0.787,512 0.921,513 0.784,514 0.965,515 0.924,516 1.076,517 0.996,518 1.078,519 0.679,520 1.094,521 1.152,522 0.937,523 1.019,524 0.947,525 1.213,526 0.967,527 6.5,528 0.153,529 4.222,530 2.569,531 2.151,532 1.299,533 0.931,534 0.654,535 0.376,536 0.266,537 9787,538 23770,539 2.049,540 49.1,542 20,547 8,550 1.725,551 1.871,552 3.343,553 -0.785,555 1,559 87.072,560 1.528,561 3.379,562 4.674,563 5.043,564 5.043,565 5.043,566 2.748,567 4.392,568 4.83,569 3.476,570 1411.38,571 8.44,572 18449.1,574 1,576 1,577 332.475,578 1.528,579 4.765,580 0.203,581 0.008,582 0.09,583 0.05,584 0.046,585 0.029,586 0.021,587 0.017,588 0.012,589 0.011,590 0.486,591 0.5,592 1,593 0.805,594 144.885,595 0.011,596 -0.294,597 0.051,598 -0.109,599 -0.025,600 -0.03,601 -0.049,602 0.11,603 0.104,604 0.186,605 0.063,606 0.175,607 -0.051,608 0.056,609 -0.074,610 -0.038,611 0.034,612 -0.048,613 -0.061,614 -0.113,615 -0.069,616 -0.134,617 -0.056,618 -0.127,619 0.064,620 0.05,621 0.1,622 0.077,623 0.059,624 0.098,625 0.008,626 0.042,627 0.013,628 0.037,629 -0.014,630 0.007,631 0.033,632 -0.097,633 -0.053,634 -0.089,635 0.057,636 -0.107,637 -0.111,638 0.007,639 -0.038,640 0.009,641 -0.074,642 0.001,643 1.678,644 6.167,645 0.724,646 25.543,647 0.996,648 1.127,649 3.402,650 11.577,651 0.661,652 3.497,653 3.871,654 4.19,655 4.466,656 4.718,657 4.875,658 5.037,659 5.176,660 5.273,661 5.361,662 6.14,663 0.617,664 413.99,665 3.497,666 5.069,667 5.948,668 6.851,669 7.748,670 8.657,671 9.561,672 10.473,673 11.38,674 12.294,675 5.3,678 1,681 1,682 1,688 6,693 6,695 12,703 1,709 1,712 1,713 1,714 57,716 13,717 2,718 32,720 60,721 23,722 12,723 6,724 6,725 1,730 4,731 5,732 1,736 2,740 3,743 3,745 13,746 10,750 1,755 1,759 1,761 1,764 28,765 5,767 6,768 1,773 3,777 0.75,778 2,792 1,793 3,796 1,815 1,819 3,823 4,824 1,827 29,833 4,835 1,837 2,838 3,846 1,847 3.5,850 1,852 1,854 15.5,855 11.493,856 6.306,857 3.52,858 2.179,859 1.279,860 0.966,861 5.781,862 10.002,863 3.689,864 4.263,865 4.816,866 5.335,867 5.855,868 6.098,869 6.432,870 6.698,871 6.966,872 7.255,873 0.857,874 51,875 10.775,877 4.592,878 7.602,879 21.018,881 17.687,883 2.102,884 60.944,886 1,887 1,888 329.591,889 127.972,890 9.373,891 39.149,892 36.145,895 127.972,896 404.884,897 9.373,898 36.93,899 11.976,900 56.857,901 29.85,902 37.877,904 329.591,905 39.149,906 329.591,907 137.345,908 36.145,909 39.149,911 235.422,912 130.314,915 32.751,916 104.595,917 39.149,919 329.591,920 45.518,921 167.121,924 329.591,925 34.185,926 103.16,928 75.293,929 329.591,930 45.518,931 167.121,933 0.596,934 0.364,935 0.192,936 0.105,937 24,938 12,939 0.05,940 3,941 1,942 1.095,943 3.859,944 269.521,945 0.095,946 21,947 134.881,951 20.517,952 8.172,953 3.858,955 45.518,956 11.391,961 5.255,964 542.23,965 39,970 13.167,974 -0.012,975 56.771,976 64.255,977 0.262,978 0.579,979 0.801,980 0.865,981 0.865,982 0.865,983 4.977,984 1.649,985 5.969,986 5.225,987 4.554,988 4.949,989 1.985,990 6.836,991 4.452,992 6.179,993 1.427,994 7.572,995 5.027,996 4.29,997 4.82,998 0.766,999 7.828,1000 4.117,1001 7.495,1002 1.196,1003 9.272,1004 4.072,1005 6.213,1006 7.068,1007 1.879,1008 10.952,1009 6.023,1010 8.842,1011 0.895,1012 11.025,1013 2.659,1014 6.735,1015 7.714,1016 0.931,1017 12.73,1018 6.483,1019 10.219,1020 0.741,1021 12.811,1022 2.286,1023 8.161,1024 9.493,1025 1.952,1026 15.385,1027 7.89,1028 11.618,1029 0.368,1030 14.621,1031 1.817,1032 9.028,1033 10.495,1034 1.142,1035 17.496,1036 8.703,1037 13.033,1038 0.293,1039 16.447,1040 0.816,1041 10.272,1042 12.082,1043 2.113,1044 19.982,1045 9.921,1046 3.255,1047 -0.347,1048 18.285,1049 0.517,1050 11.293,1051 13.265,1052 1.436,1053 22.244,1054 10.894,1055 3.046,1056 11.237,1057 20.134,1058 -0.897,1059 12.471,1060 14.762,1061 2.33,1062 24.667,1063 12.04,1064 2.83,1065 10.222,1066 21.99,1067 4.157,1068 13.561,1069 16.044,1070 1.783,1071 26.998,1072 13.087,1073 2.609,1074 9.064,1075 23.853,1076 3.805,1077 14.716,1078 17.496,1079 2.586,1080 29.4,1081 14.208,1082 2.24,1083 8.458,1084 25.721,1085 3.332,1086 15.839,1087 18.833,1088 2.156,1089 31.765,1090 15.29,1091 1.999,1092 6.594,1093 27.594,1094 2.967,1095 16.99,1096 20.263,1097 2.87,1098 34.162,1099 16.404,1100 1.879,1101 5.916,1102 29.47,1103 2.86,1104 18.129,1105 21.632,1106 2.541,1107 36.545,1108 17.504,1109 9459,1110 14935,1111 20.808,1112 37.682,1113 49.206,1114 50.656,1115 51.68,1116 49.041,1117 48.852,1118 58.997,1119 7.906,1120 147.821,1121 46.225,1122 5.535,1123 5.759,1124 6.361,1125 5.286,1126 5.255,1127 7.157,1128 2.293,1129 18.656,1130 5.135,1131 17.057,1132 1.538,1133 1.583,1134 1.615,1135 1.533,1136 1.527,1137 1.844,1138 0.247,1139 4.619,1140 1.445,1141 4.066,1142 4.1,1143 4.048,1144 3.965,1145 7.428,1146 3.973,1147 3.899,1148 3.935,1149 3.95,1150 3.836,1151 4.932,1152 3.83,1153 3.83,1154 3.879,1155 3.738,1156 3.671,1157 4.848,1158 3.677,1159 3.49,1160 3.538,1161 3.479,1162 3.303,1163 4.443,1164 3.317,1165 3.367,1166 3.452,1167 3.291,1168 3.217,1169 4.399,1170 3.19,1171 3.226,1172 3.311,1173 3.151,1174 3.018,1175 4.296,1176 3.032,1177 3.182,1178 3.218,1179 3.053,1180 2.938,1181 3.959,1182 2.945,1183 3.086,1184 3.178,1185 3.005,1186 2.86,1187 3.903,1188 2.841,1189 0.142,1190 0.117,1191 0.213,1192 0.132,1193 0.102,1194 4.535,1195 0.13,1196 3.759,1197 0.038,1198 6.809,1199 0.351,1200 4.218,1201 0.098,1202 3.255,1203 4.157,1204 1.2,1205 11.237,1206 3.135,1207 1.933,1208 1.907,1209 2.055,1210 2.08,1211 1.36,1212 2.076,1213 1.889,1214 1.865,1215 1.981,1216 1.983,1217 1.171,1218 1.988,1219 1.767,1220 1.712,1221 1.923,1222 1.909,1223 1.092,1224 1.915,1225 1.487,1226 1.424,1227 1.733,1228 1.698,1229 0.97,1230 1.709,1231 1.405,1232 1.325,1233 1.718,1234 1.606,1235 0.968,1236 1.655,1237 1.229,1238 1.175,1239 1.568,1240 1.523,1241 0.651,1242 1.536,1243 1.174,1244 1.081,1245 1.544,1246 1.466,1247 0.579,1248 1.491,1249 1.077,1250 0.994,1251 1.435,1252 1.346,1253 0.557,1254 1.388,1255 4.174,1257 5.533,1258 2.398,1259 7.089,1260 4.727,1261 8.734,1262 6.843,1263 10.426,1265 8.394,1266 6.103,1271 3.354,1273 5.741,1275 0.891,1276 6.66,1280 35.17,1281 87.072,1282 192.593,1283 266.436,1284 287.455,1285 287.455,1286 287.455,1287 50.294,1288 7.823,1289 36.02,1290 36.02,1291 23,1292 12.808,1293 3.807,1294 3,1295 44.477,1296 107,1297 101,1298 0.207,1299 218.037,1300 382.53,1301 523.771,1302 25662,1303 1.8,1304 20.706,1305 0.714,1306 0.629,1307 21.206,1308 18.239,1309 13.884,1310 0.434,1311 0.329,1312 10.027,1313 13.061,1314 9.603,1315 7.973,1316 14.173,1317 10.517,1318 12.905,1319 0.275,1320 0.182,1321 13.313,1322 8.575,1323 11.452,1324 0.176,1325 0.1,1326 11.714,1327 6.528,1328 9.313,1329 0.108,1330 0.053,1331 9.567,1332 4.594,1333 7.468,1334 0.067,1335 0.028,1336 7.693,1337 3.096,1338 0.318,1339 89.908,1340 0.219,1341 26.994,1342 0.593,1343 158,1344 412.61,1345 186.189,1346 426.551,1347 580.08,1348 400,1349 191,1350 408.847,1351 215.344,1352 426.414,1353 627.81,1354 399,1355 6.6} {0 CHEMBL194647,1 1.47,2 11.933,3 3.191,4 10.18,5 118.342,6 7.5,7 0.5,8 4.076,9 4.197,10 3.67,11 3.656,12 5.16,13 3.634,14 4.642,15 4.827,16 4.045,17 4.083,18 5.625,19 4.043,20 4.905,21 5.108,22 4.139,23 4.267,24 5.907,25 4.193,26 5.003,27 5.23,28 4.078,29 4.244,30 6.036,31 4.153,32 4.945,33 5.188,34 4.008,35 4.191,36 5.914,37 4.097,38 4.837,39 5.042,40 3.979,41 4.172,42 5.797,43 4.071,44 4.89,45 5.148,46 3.881,47 4.088,48 5.91,49 3.975,50 4.702,51 4.929,52 3.755,53 3.991,54 5.646,55 3.879,56 0.014,57 0.808,58 10.336,59 4.582,60 8.764,61 6.115,62 0.248,63 1.377,64 20.793,65 7.555,66 14.808,67 10.454,68 0.204,69 1.702,70 27.852,71 10.791,72 26.018,73 14.89,74 0.282,75 1.779,76 32.709,77 11.897,78 54.985,79 16.412,80 0.404,81 1.671,82 31.75,83 11.412,84 51.292,85 15.781,86 0.1,87 1.544,88 26.026,89 10.881,90 26.28,91 15.036,92 0.455,93 1.588,94 30.371,95 10.448,96 64.045,97 15.087,98 0.171,99 1.317,100 23.707,101 9.468,102 24.778,103 13.141,104 11,105 49,106 0.241,107 0.581,108 0.73,109 0.826,110 0.826,111 0.826,112 3.441,113 0.91,114 -4.45,115 -4.37,116 -4.12,119 45.3,121 1,124 1,125 5,140 7,141 5,142 1,143 1,145 1,156 2,169 12,171 2,172 9,178 13,181 1,182 12,189 9,193 13,199 5,202 3,203 9,211 8,215 5,222 11,225 4,226 5,233 10,236 1,237 5,244 6,249 8,256 3,259 1450,260 20.679,261 20.679,262 20.679,263 20.679,264 20.679,265 18.586,266 25.123,267 11.916,268 21.055,269 16.702,270 16.702,271 16.702,272 16.702,273 16.702,274 13.29,275 32.15,276 5.57,277 17.289,278 4.258,279 2.186,280 1.276,281 0.693,282 0.693,283 0.693,284 4.152,288 1,289 1,290 793,291 3,294 55.359,295 289.235,298 92.67,299 106.184,302 1.742,303 24.204,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 358,316 4.633,317 4.057,318 6.833,319 4.24,320 3.268,321 4.535,322 2.035,323 11.338,324 3.18,325 4.331,326 3.754,327 6.631,328 4.001,329 3.038,330 3.854,331 1.2,332 10.579,333 2.94,334 4.094,335 3.3,336 6.061,337 3.707,338 2.723,339 3.605,340 0.8,341 8.668,342 2.67,343 3.865,344 3.048,345 5.722,346 3.475,347 2.517,348 3.188,349 0.8,350 7.645,351 2.413,352 3.663,353 2.725,354 5.333,355 3.333,356 2.348,357 2.953,358 0.293,359 6.791,360 2.302,361 3.362,362 2.501,363 5.101,364 3.105,365 2.163,366 2.459,368 6.107,369 2.029,370 3.194,371 2.415,372 5.002,373 2.77,374 1.801,375 2.247,377 5.618,378 1.739,379 3.054,380 2.019,381 4.652,382 2.573,383 1.593,384 2.201,386 4.648,387 1.557,388 2.879,389 1.855,390 4.233,391 2.342,392 1.409,393 1.846,395 3.643,396 1.312,397 2.741,398 1.588,399 3.878,400 2.129,401 1.151,402 1.5,404 2.948,405 1.123,406 2.5,407 1.513,408 3.653,409 2,410 1,411 1.425,413 2.275,414 1,415 2.436,416 1.252,417 3.414,418 1.967,419 1,420 1.209,422 2.275,423 0.965,424 2.226,425 1.146,426 3.414,427 1.933,428 0.923,429 1,431 2.256,432 0.923,433 2,434 1,435 3.213,436 1.466,437 0.506,438 0.872,440 1.116,441 0.484,442 1.705,443 0.621,444 2.745,445 1.331,446 0.341,447 0.47,449 0.623,450 0.335,451 14.333,452 0.478,453 0.709,454 0.024,455 41.75,456 1.392,457 21.5,458 0.717,459 20.25,460 0.675,461 24.201,462 0.807,463 30.667,464 0.579,465 31.304,466 1.043,467 8.028,468 0.268,469 6.608,470 0.22,471 0.086,473 0.363,479 0.719,480 1.383,481 0.746,482 1.076,483 0.451,484 0.939,485 0.995,486 0.919,487 0.879,488 0.785,489 0.467,490 0.797,491 0.944,492 1.07,493 0.981,494 1.051,495 0.625,496 1.02,497 1.288,498 1.08,499 1.042,500 1.048,501 1.241,502 1.025,503 1.212,504 0.735,505 0.961,506 0.805,507 1.193,508 0.849,509 0.74,510 1.301,511 1.012,512 1.285,513 0.63,514 1.206,515 0.868,516 0.812,517 0.986,518 0.873,519 0.507,520 0.923,521 0.834,522 1.042,523 1.023,524 1.134,525 0.77,526 1.111,527 5.5,528 0.144,529 4,530 2.007,531 1.902,532 1.084,533 0.822,534 0.576,535 0.352,536 0.209,537 11941,538 29184,539 2.165,540 43.4,542 20,544 1,547 2,550 1.73,551 2.045,552 3.523,553 -0.792,555 1,559 77.889,560 1.47,561 3.542,562 4.452,563 5.034,564 5.034,565 5.034,566 3.029,567 4.64,568 4.873,569 3.633,570 1580.55,571 8.516,572 21248.3,574 1,576 1,577 303.58,578 1.347,579 4.848,580 0.162,581 0.007,582 0.082,583 0.039,584 0.04,585 0.024,586 0.019,587 0.015,588 0.01,589 0.007,590 0.405,591 0.33,592 0.88,593 0.659,594 152.742,595 0.013,596 -0.259,597 0.077,598 -0.087,599 0.049,600 -0.015,601 -0.022,602 0.198,603 0.036,604 0.16,605 0.03,606 0.119,607 -0.042,608 -0.04,609 -0.049,610 -0.072,611 0.053,612 -0.06,613 -0.116,614 -0.106,615 -0.051,616 -0.071,617 -0.061,618 -0.056,619 -0.053,620 0.235,621 0.046,622 0.175,623 -0.1,624 0.13,625 0.023,626 -0.333,627 -0.087,628 -0.271,629 0.014,630 -0.208,631 0.146,632 0.174,633 0.025,634 0.089,635 0.234,636 0.055,637 0.009,638 -0.087,639 -0.066,640 -0.125,641 0.017,642 -0.109,643 1.692,644 6.18,645 0.833,646 28.889,647 0.996,648 1.121,649 3.215,650 10.339,651 0.686,652 3.555,653 3.912,654 4.248,655 4.543,656 4.836,657 4.997,658 5.209,659 5.389,660 5.525,661 5.663,662 6.632,663 0.652,664 397.52,665 3.555,666 5.118,667 5.999,668 6.897,669 7.795,670 8.701,671 9.608,672 10.518,673 11.43,674 12.344,675 9.4,678 1,681 1,682 1,684 1,685 1,687 2,688 8,689 1,693 5,695 17,697 1,703 1,709 1,714 53,716 19,717 2,718 34,720 57,721 24,722 15,723 6,724 6,725 1,730 5,731 8,740 1,743 1,744 1,745 16,746 7,750 1,755 1,759 1,761 1,764 23,765 6,767 6,773 5,777 0.6,778 1,786 1,792 1,793 4,796 1,797 1,815 1,819 3,823 1,827 30,833 6,838 3,840 1,843 1,845 1,847 1.9,850 1,854 14.667,855 10.083,856 6.528,857 3.329,858 3.563,859 1.424,860 1.026,861 4.807,862 11.971,863 3.839,864 4.431,865 5.077,866 5.672,867 6.279,868 6.674,869 7.14,870 7.504,871 7.906,872 8.175,873 1,874 52,875 11.115,877 4.828,878 7.661,879 21.577,881 18.388,883 2.161,884 64.833,887 1,888 270.735,889 137.934,890 57.218,892 25.145,895 137.934,896 295.88,897 57.218,898 8.396,899 16.187,900 66.334,901 75.008,902 63.815,903 2.328,904 258.964,906 270.735,907 195.152,908 25.145,911 247.193,912 48.687,915 59.418,916 118.948,917 16.786,919 270.735,920 82.363,921 137.934,924 270.735,925 37.555,926 93.15,927 16.602,928 72.99,929 270.735,930 82.363,931 137.934,933 0.587,934 0.356,935 0.191,936 0.108,937 26,938 11,939 0.035,940 2,941 2,942 1.16,943 4.115,944 286.128,945 0.16,946 25,947 139.207,951 18.907,952 7.627,953 3.415,954 2.269,955 82.363,956 15.142,957 4.702,961 4.33,964 491.032,965 45.5,970 13.18,974 -0.025,975 52.789,976 59.438,977 0.257,978 0.618,979 0.777,980 0.879,981 0.879,982 0.879,983 5.107,984 1.593,985 5.994,986 5.618,987 4.595,988 5.118,989 2.645,990 6.845,991 4.532,992 6.32,993 1.409,994 7.577,995 4.648,996 4.205,997 4.934,998 0.766,999 7.816,1000 4.109,1001 7.636,1002 1.151,1003 9.26,1004 3.643,1005 6.229,1006 7.337,1007 3.682,1008 10.944,1009 6.106,1010 8.987,1011 1,1012 11.001,1013 2.948,1014 6.673,1015 8.014,1016 0.931,1017 12.748,1018 6.521,1019 10.371,1020 1,1021 12.781,1022 2.275,1023 8.154,1024 9.88,1025 4.998,1026 15.401,1027 7.976,1028 11.779,1029 0.923,1030 14.587,1031 2.275,1032 8.978,1033 10.963,1034 1.142,1035 17.548,1036 8.771,1037 13.206,1038 0.506,1039 16.413,1040 2.256,1041 10.249,1042 12.612,1043 6.389,1044 20.04,1045 10.016,1046 3.268,1047 0.341,1048 18.254,1049 1.116,1050 11.25,1051 13.899,1052 1.436,1053 22.334,1054 10.989,1055 3.038,1056 11.338,1057 20.106,1058 0.623,1059 12.442,1060 15.455,1061 7.801,1062 24.77,1063 12.154,1064 2.723,1065 10.579,1066 21.968,1067 4.535,1068 13.526,1069 16.846,1070 1.783,1071 27.126,1072 13.211,1073 2.517,1074 8.668,1075 23.838,1076 3.854,1077 14.691,1078 18.364,1079 9.219,1080 29.543,1081 14.348,1082 2.348,1083 7.645,1084 25.714,1085 3.605,1086 15.815,1087 19.81,1088 2.156,1089 31.928,1090 15.444,1091 2.163,1092 6.791,1093 27.595,1094 3.188,1095 16.973,1096 21.315,1097 10.638,1098 34.339,1099 16.575,1100 1.801,1101 6.107,1102 29.48,1103 2.953,1104 18.117,1105 22.789,1106 2.541,1107 36.738,1108 17.691,1109 11135,1110 17550,1111 23.175,1112 36.336,1113 53.216,1114 55.503,1115 53.574,1116 51.626,1117 51.563,1118 66.727,1119 10.255,1120 153.06,1121 49.944,1122 5.633,1123 6.057,1124 6.384,1125 5.308,1126 5.268,1127 7.535,1128 4.069,1129 18.758,1130 5.18,1131 12.712,1132 1.565,1133 1.632,1134 1.576,1135 1.518,1136 1.517,1137 1.963,1138 0.302,1139 4.502,1140 1.469,1141 4.136,1142 4.166,1143 4.099,1144 4.063,1145 7.428,1146 4.068,1147 3.93,1148 3.955,1149 3.885,1150 3.869,1151 6.82,1152 3.869,1153 3.814,1154 3.885,1155 3.712,1156 3.625,1157 4.966,1158 3.638,1159 3.653,1160 3.709,1161 3.569,1162 3.502,1163 4.66,1164 3.509,1165 3.307,1166 3.342,1167 3.279,1168 3.148,1169 4.485,1170 3.176,1171 3.205,1172 3.293,1173 3.064,1174 3.022,1175 4.346,1176 3.016,1177 3.114,1178 3.206,1179 2.985,1180 2.948,1181 3.932,1182 2.948,1183 3.111,1184 3.18,1185 2.893,1186 2.941,1187 3.855,1188 2.91,1189 0.136,1190 0.119,1191 0.201,1192 0.125,1193 0.096,1194 4.633,1195 0.133,1196 4.057,1197 0.06,1198 6.833,1199 0.333,1200 4.24,1201 0.094,1202 3.268,1203 4.535,1204 2.035,1205 11.338,1206 3.18,1207 2.051,1208 2.03,1209 2.117,1210 2.14,1211 1.335,1212 2.134,1213 1.917,1214 1.896,1215 2.009,1216 2.002,1217 1.238,1218 2.004,1219 1.747,1220 1.674,1221 1.959,1222 1.958,1223 1.105,1224 1.965,1225 1.509,1226 1.448,1227 1.745,1228 1.71,1229 1.021,1230 1.722,1231 1.424,1232 1.384,1233 1.557,1234 1.599,1235 0.825,1236 1.586,1237 1.183,1238 1.119,1239 1.518,1240 1.452,1241 0.669,1242 1.482,1243 1.153,1244 1.082,1245 1.513,1246 1.376,1247 0.614,1248 1.429,1249 1.15,1250 1.064,1251 1.241,1252 1.319,1253 0.333,1254 1.296,1255 4.234,1257 5.58,1258 2.398,1259 7.132,1260 4.727,1261 8.774,1262 6.843,1263 10.465,1265 2.146,1271 5.459,1276 6.532,1278 8.999,1279 2.099,1280 34.563,1281 77.889,1282 187.715,1283 235.954,1284 266.825,1285 266.825,1286 266.825,1287 45.062,1288 8.408,1289 63.47,1290 63.47,1291 29,1292 12.857,1293 4.322,1294 3.644,1295 41.532,1296 118,1297 143,1298 0.173,1299 209.786,1300 364.01,1301 503.638,1302 55766,1304 20.665,1305 0.689,1306 0.567,1307 20.665,1308 17.006,1309 14.635,1310 0.43,1311 0.303,1312 10.183,1313 14.157,1314 9.932,1315 8.172,1316 14.635,1317 10.31,1318 13.223,1319 0.27,1320 0.164,1321 13.223,1322 8.023,1323 11.998,1324 0.174,1325 0.089,1326 11.998,1327 6.147,1328 10.025,1329 0.108,1330 0.047,1331 10.025,1332 4.37,1333 8.45,1334 0.068,1335 0.026,1336 8.45,1337 3.197,1338 0.268,1339 91.006,1340 0.208,1341 28.064,1342 0.483,1343 166,1344 431.961,1345 177.595,1346 428.403,1347 595.21,1348 402,1349 201,1350 444.608,1351 214.538,1352 455.811,1353 670.65,1354 429,1355 9.1} {0 CHEMBL194701,1 1.657,2 11,3 4.254,4 18.097,5 118.578,6 8.009,7 0.472,8 4.129,9 4.246,10 3.758,11 3.665,12 5.232,13 3.665,14 4.73,15 4.908,16 4.223,17 4.093,18 6.202,19 4.085,20 4.951,21 5.148,22 4.259,23 4.281,24 6.043,25 4.236,26 5.086,27 5.299,28 4.296,29 4.274,30 6.29,31 4.236,32 5.079,33 5.306,34 4.277,35 4.228,36 6.491,37 4.186,38 4.927,39 5.123,40 4.14,41 4.222,42 6.007,43 4.155,44 5.021,45 5.264,46 4.108,47 4.147,48 6.183,49 4.087,50 4.858,51 5.089,52 3.914,53 4.008,54 6.026,55 3.938,56 0.096,57 1.05,58 9.762,59 5.098,60 20.288,61 6.128,62 0.948,63 2.07,64 22.597,65 8.392,66 136.569,67 10.482,68 0.425,69 2.022,70 27.897,71 11.527,72 41.737,73 14.878,74 0.645,75 2.263,76 34.922,77 13.016,78 88.648,79 16.294,80 1.399,81 2.171,82 37.689,83 12.465,84 196.622,85 15.67,86 0.436,87 1.982,88 27.729,89 11.929,90 66.712,91 14.986,92 0.811,93 2.139,94 34.998,95 11.906,96 95.124,97 15.057,98 0.674,99 1.816,100 29.5,101 10.964,102 94.702,103 13.134,104 27,105 54,106 0.272,107 0.582,108 0.738,109 0.842,110 0.848,111 0.848,112 3.503,113 0.888,114 -5.6,115 -5.47,116 -5.11,119 43.6,121 1,124 1,125 5,131 1,140 7,141 5,142 1,143 1,145 1,156 1,169 12,171 2,172 8,178 13,181 1,182 10,189 9,193 11,199 5,202 3,203 8,211 8,215 5,222 11,225 2,226 5,233 10,236 1,237 5,244 6,249 5,256 3,259 1662,260 21.333,261 21.333,262 21.333,263 21.333,264 21.333,265 19.343,266 26.254,267 12.184,268 21.95,269 17.77,270 17.77,271 17.77,272 17.77,273 17.77,274 14.582,275 34.685,276 5.769,277 18.818,278 4.124,279 2.229,280 1.28,281 0.646,282 0.609,283 0.609,284 4.208,288 1,289 1,290 771,291 3.742,294 56.924,295 308.125,298 96.17,299 111.578,302 1.688,303 49.903,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 71.5,315 352,316 4.652,317 4.472,318 7.292,319 4.332,320 3.416,321 4.535,322 3.825,323 12.478,324 3.216,325 4.57,326 3.751,327 6.818,328 4.194,329 3.242,330 4.098,331 1.2,332 11.267,333 3.083,334 4.225,335 3.301,336 6.619,337 3.937,338 3.001,339 3.639,340 0.8,341 10.505,342 2.793,343 3.874,344 3.05,345 6.073,346 3.582,347 2.636,348 3.114,349 0.8,350 8.627,351 2.452,352 3.663,353 2.726,354 5.732,355 3.4,356 2.454,357 2.933,358 0.293,359 7.654,360 2.299,361 3.374,362 2.443,363 5.256,364 3.12,365 2.188,366 2.542,368 6.232,369 2.031,370 3.264,371 2.346,372 5.037,373 2.884,374 1.922,375 2.439,377 5.879,378 1.822,379 3.055,380 1.991,381 4.716,382 2.658,383 1.673,384 2.247,386 4.848,387 1.64,388 2.845,389 1.589,390 4.365,391 2.406,392 1.449,393 1.95,395 3.702,396 1.387,397 2.69,398 1.513,399 4.161,400 2.304,401 1.35,402 1.738,404 3.513,405 1.281,406 2.581,407 1.359,408 3.856,409 2.128,410 1.161,411 1.613,413 2.907,414 1.117,415 2.427,416 1.273,417 3.665,418 2.113,419 1.141,420 1.396,422 2.827,423 1.093,424 2.213,425 1.251,426 3.484,427 1.967,428 1,429 1.06,431 2.275,432 0.965,433 2,434 1.146,435 3.414,436 1.828,437 0.809,438 1,440 1.991,441 0.816,442 1.704,443 0.62,444 3.202,445 1.379,446 0.387,447 0.488,449 1.024,450 0.382,451 14.79,452 0.462,453 1.018,454 0.032,455 40.25,456 1.258,457 18.5,458 0.578,459 21.75,460 0.68,461 28.915,462 0.904,463 35.01,464 0.637,465 34.871,466 1.09,467 8.008,468 0.25,469 7.317,470 0.229,471 0.114,472 0.034,473 0.352,476 3,479 0.559,480 1.121,481 0.657,482 1.112,483 0.53,484 0.967,485 0.516,486 0.703,487 0.745,488 0.781,489 0.342,490 0.803,491 0.594,492 0.882,493 0.831,494 1.047,495 0.483,496 1.017,497 0.92,498 1.057,499 0.916,500 1.099,501 0.897,502 1.03,503 0.883,504 0.715,505 0.926,506 0.764,507 0.928,508 0.835,509 0.718,510 1.059,511 0.973,512 1.236,513 0.726,514 1.208,515 0.999,516 0.999,517 1.024,518 0.961,519 0.917,520 0.979,521 1.142,522 1.057,523 1.13,524 1.085,525 1.133,526 1.101,527 7,528 0.243,529 4.667,530 2.882,531 2.32,532 1.351,533 0.972,534 0.73,535 0.42,536 0.369,537 13367,538 39222,539 2.108,540 41.8,542 20,544 1,547 2,550 1.749,551 1.949,552 3.421,553 -0.743,555 1,559 91.139,560 1.657,561 3.552,562 4.502,563 5.136,564 5.172,565 5.172,566 2.891,567 4.539,568 4.973,569 3.588,570 1779.87,571 8.721,572 24827.8,574 1,576 1,577 317.975,578 1.617,579 4.916,580 0.194,581 0.008,582 0.086,583 0.051,584 0.041,585 0.025,586 0.02,587 0.016,588 0.011,589 0.012,590 0.465,591 0.5,592 0.75,593 0.731,594 165.202,595 -0.02,596 -0.166,597 0.054,598 -0.081,599 -0.054,600 -0.015,601 0.309,602 0.311,603 0.115,604 0.18,605 0.384,606 0.118,607 -0.014,608 -0.068,609 0.009,610 -0.068,611 0.037,612 -0.03,613 -0.068,614 -0.18,615 0.021,616 -0.124,617 -0.024,618 -0.048,619 0.162,620 0.222,621 0.074,622 0.191,623 0.151,624 0.125,625 -0.039,626 -0.184,627 -0.108,628 -0.221,629 -0.056,630 -0.2,631 -0.071,632 -0.047,633 -0.034,634 -0.004,635 -0.036,637 -0.127,638 -0.043,639 -0.14,640 -0.081,641 -0.098,642 -0.104,643 5.837,644 6.23,645 0.781,646 29.371,647 1.018,648 1.142,649 4.371,650 19.11,651 0.667,652 3.611,653 4.007,654 4.317,655 4.635,656 4.913,657 5.043,658 5.263,659 5.447,660 5.602,661 5.743,662 6.575,663 0.65,664 440.51,665 3.611,666 5.198,667 6.08,668 6.999,669 7.9,670 8.821,671 9.731,672 10.654,673 11.568,674 12.492,675 7.3,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,703 1,709 1,714 55,716 18,717 2,718 36,720 59,721 24,722 15,723 6,724 6,725 1,730 5,731 8,736 1,740 1,742 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,762 3,764 23,765 8,767 8,773 4,777 0.6,778 1,786 1,792 1,793 4,796 1,797 1,815 1,819 3,823 1,825 3,827 32,833 6,838 3,839 1,846 3,847 1.8,850 1,854 16.417,855 10.312,856 6.722,857 3.393,858 3.522,859 1.411,860 1.028,861 5.252,862 12.084,863 3.839,864 4.466,865 5.086,866 5.702,867 6.297,868 6.641,869 7.11,870 7.521,871 7.931,872 8.197,873 1,874 57,875 12.487,877 6.041,878 8.049,879 22.491,881 19.286,883 2.549,884 81.583,887 1,888 270.735,889 129.092,890 26.158,892 25.145,893 44.88,895 129.092,896 295.88,897 71.039,898 8.396,899 16.187,900 66.334,901 58.406,902 77.636,903 2.328,904 258.964,905 7.76,906 270.735,907 155.251,908 70.025,911 247.193,912 93.567,915 36.119,916 102.346,917 16.786,919 315.616,920 51.303,921 129.092,924 278.495,925 37.555,926 93.15,928 86.811,929 270.735,930 96.184,931 129.092,933 0.601,934 0.352,935 0.194,936 0.11,937 29,938 13,939 0.034,940 2,941 2,942 1.16,943 4.127,944 318.845,945 0.16,946 25,947 151.245,951 21.087,952 7.97,953 3.83,954 1.942,955 96.184,956 12.676,957 4.611,961 1.263,964 496.011,965 45.5,970 13.23,974 -0.624,975 55.992,976 62.789,977 0.287,978 0.614,979 0.779,980 0.888,981 0.895,982 0.895,983 5.131,984 1.673,985 6.12,986 5.879,987 4.691,988 5.153,989 3.244,990 7.024,991 4.588,992 6.362,993 1.449,994 7.743,995 4.848,996 4.511,997 5.094,998 3.926,999 8.222,1000 4.273,1001 7.701,1002 1.35,1003 9.474,1004 3.702,1005 6.412,1006 7.384,1007 5.44,1008 11.313,1009 6.195,1010 9.077,1011 1.161,1012 11.271,1013 3.513,1014 7.031,1015 8.137,1016 6.692,1017 13.3,1018 6.691,1019 10.487,1020 1.141,1021 13.108,1022 2.907,1023 8.461,1024 9.955,1025 8.059,1026 15.972,1027 8.119,1028 11.921,1029 1,1030 14.974,1031 2.827,1032 9.415,1033 11.085,1034 9.389,1035 18.256,1036 8.975,1037 13.373,1038 0.809,1039 16.859,1040 2.275,1041 10.683,1042 12.712,1043 10.734,1044 20.8,1045 10.216,1046 3.416,1047 0.387,1048 18.759,1049 1.991,1050 11.776,1051 14.025,1052 12.074,1053 23.202,1054 11.232,1055 3.242,1056 12.478,1057 20.67,1058 1.024,1059 12.991,1060 15.57,1061 13.417,1062 25.706,1063 12.404,1064 3.001,1065 11.267,1066 22.59,1067 4.535,1068 14.144,1069 16.973,1070 14.758,1071 28.16,1072 13.49,1073 2.636,1074 10.505,1075 24.518,1076 4.098,1077 15.344,1078 18.484,1079 16.1,1080 30.654,1081 14.64,1082 2.454,1083 8.627,1084 26.452,1085 3.639,1086 16.523,1087 19.933,1088 17.441,1089 33.132,1090 15.758,1091 2.188,1092 7.654,1093 28.391,1094 3.114,1095 17.721,1096 21.432,1097 18.783,1098 35.627,1099 16.903,1100 1.922,1101 6.232,1102 30.335,1103 2.933,1104 18.914,1105 22.904,1106 20.124,1107 38.118,1108 18.036,1109 12578,1110 21835,1111 23.868,1112 36.665,1113 56.354,1114 56.475,1115 57.378,1116 55.966,1117 55.657,1118 69.582,1119 13.836,1120 171.457,1121 52.755,1122 5.652,1123 6.472,1124 6.97,1125 5.399,1126 5.416,1127 7.535,1128 5.335,1129 20.416,1130 5.216,1131 16.632,1132 1.565,1133 1.569,1134 1.594,1135 1.555,1136 1.546,1137 1.933,1138 0.384,1139 4.763,1140 1.465,1141 4.138,1142 4.167,1143 4.101,1144 4.063,1145 8.513,1146 4.069,1147 3.946,1148 3.97,1149 3.914,1150 3.871,1151 7.999,1152 3.875,1153 3.814,1154 3.886,1155 3.712,1156 3.625,1157 7.999,1158 3.637,1159 3.651,1160 3.707,1161 3.565,1162 3.499,1163 7.427,1164 3.505,1165 3.317,1166 3.363,1167 3.33,1168 3.047,1169 4.966,1170 3.076,1171 3.238,1172 3.318,1173 3.165,1174 3.021,1175 4.673,1176 3.046,1177 3.173,1178 3.216,1179 3.043,1180 2.99,1181 4.486,1182 3.008,1183 3.111,1184 3.206,1185 2.952,1186 2.941,1187 4.347,1188 2.923,1189 0.129,1190 0.124,1191 0.203,1192 0.12,1193 0.095,1194 4.652,1195 0.126,1196 4.472,1197 0.106,1198 7.292,1199 0.347,1200 4.332,1201 0.089,1202 3.416,1203 4.535,1204 3.825,1205 12.478,1206 3.216,1207 2.051,1208 2.03,1209 2.117,1210 2.14,1211 1.335,1212 2.134,1213 1.918,1214 1.898,1215 2.008,1216 2.017,1217 1.238,1218 2.011,1219 1.747,1220 1.674,1221 1.959,1222 1.959,1223 1.13,1224 1.965,1225 1.506,1226 1.444,1227 1.745,1228 1.708,1229 1.027,1230 1.72,1231 1.415,1232 1.371,1233 1.557,1234 1.596,1235 0.825,1236 1.583,1237 1.183,1238 1.088,1239 1.517,1240 1.451,1241 0.669,1242 1.482,1243 1.153,1244 1.069,1245 1.513,1246 1.44,1247 0.615,1248 1.429,1249 1.106,1250 1.064,1251 1.219,1252 1.376,1253 0.334,1254 1.345,1255 4.29,1257 5.666,1258 2.398,1259 7.239,1260 4.727,1261 8.901,1262 6.843,1263 10.61,1265 2.086,1267 40.495,1271 4.525,1276 5.965,1277 -4.587,1280 35.745,1281 91.139,1282 195.355,1283 247.594,1284 282.465,1285 284.465,1286 284.465,1287 68.515,1288 8.562,1289 39.68,1290 39.68,1291 29,1292 13,1293 4.248,1294 3.392,1295 45.532,1296 126,1297 140,1298 0.178,1299 212.441,1300 376.5,1301 510.116,1302 67614,1303 5.5,1304 22.457,1305 0.702,1306 0.553,1307 19.957,1308 17.692,1309 15.326,1310 0.426,1311 0.296,1312 10.463,1313 14.595,1314 10.275,1315 8.391,1316 14.114,1317 10.66,1318 14.955,1319 0.277,1320 0.155,1321 12.96,1322 8.377,1323 12.392,1324 0.167,1325 0.086,1326 11.638,1327 6.349,1328 10.734,1329 0.105,1330 0.045,1331 9.996,1332 4.589,1333 9.121,1334 0.068,1335 0.025,1336 8.312,1337 3.312,1338 0.274,1339 97.044,1340 0.205,1341 29.311,1342 0.504,1343 180,1344 664.649,1345 207.918,1346 562.82,1347 749.13,1348 524,1349 218,1350 536.2,1351 241.349,1352 525.46,1353 799.66,1354 494,1355 7.8} {0 CHEMBL194809,1 1.545,2 10.69,3 3.976,4 15.809,5 117.409,6 7.826,7 0.515,8 4.061,9 4.18,10 3.69,11 3.646,12 5.088,13 3.616,14 4.636,15 4.82,16 4.092,17 4.08,18 5.608,19 4.033,20 4.895,21 5.096,22 4.209,23 4.266,24 5.864,25 4.183,26 4.983,27 5.202,28 4.188,29 4.238,30 6.032,31 4.144,32 4.927,33 5.163,34 4.073,35 4.196,36 5.884,37 4.097,38 4.839,39 5.035,40 4.079,41 4.201,42 5.79,43 4.089,44 4.879,45 5.13,46 3.915,47 4.101,48 5.804,49 3.97,50 4.687,51 4.917,52 3.772,53 3.963,54 5.586,55 3.831,56 0.008,57 0.775,58 9.986,59 4.578,60 5.809,61 6.116,62 0.244,63 1.334,64 21.035,65 7.643,66 16.483,67 10.488,68 0.215,69 1.621,70 29.72,71 11.025,72 24.023,73 14.955,74 0.393,75 1.668,76 36.142,77 12.163,78 58.614,79 16.37,80 0.4,81 1.6,82 32.995,83 11.62,84 46.968,85 15.734,86 0.141,87 1.484,88 29.052,89 11.22,90 27.867,91 15.103,92 0.41,93 1.51,94 33.873,95 10.865,96 43.925,97 15.193,98 0.185,99 1.239,100 25.551,101 9.66,102 24.2,103 13.198,104 10,105 48,106 0.256,107 0.576,108 0.736,109 0.847,110 0.853,111 0.853,112 3.409,113 0.946,114 -5.29,115 -5.18,116 -4.84,119 44.2,121 1,124 1,125 5,140 7,141 4,142 2,143 1,145 1,156 1,169 10,171 2,172 8,178 13,181 1,182 8,189 10,193 13,199 6,202 3,203 8,211 5,215 5,222 12,225 2,226 5,233 11,236 1,237 3,244 6,249 7,256 4,259 1248,260 19.861,261 19.861,262 19.861,263 19.861,264 19.861,265 17.78,266 23.4,267 11.49,268 20.337,269 16.275,270 16.275,271 16.275,272 16.275,273 16.275,274 13.035,275 30.926,276 5.439,277 17.075,278 4.155,279 2.228,280 1.262,281 0.591,282 0.553,283 0.553,284 4.12,285 1,288 1,289 1,290 690,291 2.828,294 51.388,295 271.358,298 85.828,299 98.468,302 1.562,303 22.694,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.333,315 310,316 4.635,317 3.78,318 6.856,319 4.248,320 3.277,321 4.535,322 1.2,323 11.397,324 3.183,325 4.389,326 3.309,327 6.662,328 4.029,329 3.067,330 3.958,331 0.8,332 10.688,333 2.951,334 4.11,335 3.103,336 6.272,337 3.754,338 2.8,339 3.605,340 0.8,341 9.298,342 2.666,343 3.716,344 2.883,345 5.764,346 3.458,347 2.515,348 3.02,349 0.293,350 7.784,351 2.363,352 3.448,353 2.712,354 5.383,355 3.161,356 2.227,357 2.672,359 6.465,360 2.07,361 3.317,362 2.417,363 5.044,364 2.981,365 2.021,366 2.445,368 5.978,369 1.914,370 3.055,371 2,372 4.748,373 2.669,374 1.689,375 2.247,377 4.952,378 1.648,379 2.867,380 1.673,381 4.416,382 2.406,383 1.451,384 2.023,386 3.858,387 1.387,388 2.834,389 1.588,390 4.171,391 2.35,392 1.414,393 1.933,395 3.604,396 1.289,397 2.666,398 1.513,399 3.854,400 2.289,401 1.341,402 1.711,404 3.009,405 1.225,406 2.427,407 1.315,408 3.644,409 2.121,410 1.144,411 1.397,413 2.896,414 1.115,415 2.219,416 1.252,417 3.484,418 1.967,419 1,420 1.073,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.834,428 0.816,429 1,431 1.996,432 0.821,433 1.705,434 0.621,435 3.201,436 1.384,437 0.397,438 0.497,440 1.042,441 0.387,442 1.14,443 0.405,444 2.706,445 0.843,446 -0.112,447 -0.125,449 -0.257,450 -0.105,451 14.148,452 0.488,453 0.73,454 0.025,455 38.25,456 1.319,457 18.5,458 0.638,459 19.75,460 0.681,461 25.231,462 0.87,463 30.252,464 0.582,465 28.33,466 0.977,467 7.401,468 0.255,469 6.713,470 0.231,471 0.109,473 0.368,479 0.684,480 1.429,481 0.629,482 1.021,483 0.511,484 0.926,485 0.943,486 0.955,487 0.731,488 0.743,489 0.554,490 0.781,491 0.958,492 1.068,493 0.887,494 0.981,495 0.764,496 0.976,497 1.106,498 1.1,499 0.946,500 1.06,501 1.28,502 1.01,503 1.123,504 0.759,505 0.821,506 0.781,507 1.335,508 0.832,509 0.892,510 1.289,511 1.042,512 1.216,513 0.935,514 1.181,515 0.987,516 0.877,517 1.066,518 0.926,519 0.733,520 0.972,521 0.852,522 1.05,523 0.931,524 1.094,525 0.889,526 1.101,527 5,528 0.127,529 4,530 2.257,531 1.862,532 0.997,533 0.798,534 0.514,535 0.35,536 0.222,537 10610,538 25959,539 2.171,540 44.2,542 20,544 1,547 2,550 1.723,551 2.047,552 3.389,553 -0.785,555 1,559 80.339,560 1.545,561 3.472,562 4.438,563 5.109,564 5.147,565 5.147,566 2.862,567 4.582,568 4.829,569 3.505,570 1422.86,571 8.432,572 18465.6,574 1,576 1,577 296.423,578 1.361,579 4.797,580 0.152,581 0.006,582 0.083,583 0.044,584 0.04,585 0.022,586 0.019,587 0.014,588 0.011,589 0.009,590 0.4,591 0.5,592 0.88,593 0.506,594 144.928,595 0.006,596 -0.275,597 0.049,598 -0.083,599 0.002,600 -0.015,601 -0.025,602 0.195,603 0.042,604 0.161,605 0.036,606 0.119,607 -0.05,608 -0.017,609 -0.011,610 -0.027,611 0.035,612 -0.027,613 0.045,614 -0.111,615 0.009,616 -0.093,617 0.075,618 -0.049,619 -0.046,620 0.236,621 0.047,622 0.174,623 -0.085,624 0.132,625 -0.051,626 -0.297,627 -0.102,628 -0.221,629 -0.082,630 -0.2,631 -0.02,632 0.126,633 -0.071,634 0.033,635 0.047,636 -0.002,637 -0.004,638 -0.086,639 -0.042,640 -0.11,641 0.005,642 -0.109,643 1.71,644 6.199,645 0.862,646 25.346,647 0.998,648 1.121,649 4.061,650 16.494,651 0.691,652 3.526,653 3.892,654 4.234,655 4.543,656 4.82,657 4.963,658 5.182,659 5.38,660 5.509,661 5.642,662 6.182,663 0.652,664 406.95,665 3.526,666 5.094,667 5.979,668 6.882,669 7.784,670 8.695,671 9.605,672 10.519,673 11.433,674 12.351,675 7.7,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,703 1,709 1,713 1,714 52,716 18,717 2,718 33,720 56,721 23,722 15,723 6,724 6,725 1,730 5,731 8,732 1,740 1,743 1,745 16,746 7,750 1,755 1,759 1,761 1,764 23,765 5,767 6,768 1,773 4,777 0.6,778 1,786 1,792 1,793 4,796 1,797 1,815 1,819 3,823 1,824 1,827 29,833 6,838 3,846 1,847 1.9,850 1,854 14.167,855 9.776,856 6.222,857 3.259,858 3.389,859 1.407,860 1.032,861 4.845,862 11.711,863 3.773,864 4.394,865 5.029,866 5.64,867 6.233,868 6.588,869 7.056,870 7.491,871 7.882,872 8.142,873 1,874 51,875 10.771,877 4.699,878 7.584,879 21.03,881 18.027,883 2.084,884 60.444,886 1,887 1,888 270.735,889 121.648,890 26.158,891 39.149,892 25.145,895 121.648,896 335.029,897 26.158,898 8.396,899 16.187,900 66.334,901 58.406,902 33.07,903 2.328,904 258.964,905 39.149,906 270.735,907 147.806,908 25.145,909 39.149,911 247.193,912 48.687,915 28.359,916 102.661,917 55.934,919 270.735,920 51.303,921 160.796,924 270.735,925 37.87,926 93.15,928 81.079,929 270.735,930 51.303,931 160.796,933 0.591,934 0.358,935 0.198,936 0.109,937 26,938 11,939 0.036,940 2,941 2,942 1.16,943 3.994,944 277.219,945 0.16,946 25,947 136.881,951 18.712,952 7.508,953 3.345,954 2.286,955 51.303,956 15.573,957 4.706,961 4.23,964 482.835,965 42.5,970 13.199,974 -0.043,975 51.894,976 58.299,977 0.271,978 0.609,979 0.779,980 0.896,981 0.903,982 0.903,983 5.039,984 1.451,985 5.979,986 4.952,987 4.575,988 5.081,989 1.758,990 6.843,991 4.486,992 6.247,993 1.414,994 7.57,995 3.858,996 4.205,997 4.934,998 0.766,999 7.837,1000 4.048,1001 7.566,1002 1.341,1003 9.263,1004 3.604,1005 6.217,1006 7.307,1007 1.696,1008 10.984,1009 6.052,1010 8.923,1011 1.144,1012 11.016,1013 3.009,1014 6.686,1015 8.014,1016 0.931,1017 12.812,1018 6.467,1019 10.315,1020 1,1021 12.808,1022 2.896,1023 8.164,1024 9.87,1025 1.83,1026 15.477,1027 7.931,1028 11.733,1029 0.816,1030 14.627,1031 2.275,1032 9.011,1033 10.978,1034 1.142,1035 17.636,1036 8.736,1037 13.17,1038 0.397,1039 16.464,1040 1.996,1041 10.283,1042 12.623,1043 2.038,1044 20.136,1045 9.988,1046 3.277,1047 -0.112,1048 18.316,1049 1.042,1050 11.301,1051 13.926,1052 1.436,1053 22.435,1054 10.971,1055 3.067,1056 11.397,1057 20.178,1058 -0.257,1059 12.496,1060 15.481,1061 2.286,1062 24.875,1063 12.142,1064 2.8,1065 10.688,1066 22.048,1067 4.535,1068 13.591,1069 16.88,1070 1.783,1071 27.235,1072 13.206,1073 2.515,1074 9.298,1075 23.926,1076 3.958,1077 14.759,1078 18.398,1079 2.561,1080 29.655,1081 14.348,1082 2.227,1083 7.784,1084 25.808,1085 3.605,1086 15.889,1087 19.846,1088 2.156,1089 32.042,1090 15.449,1091 2.021,1092 6.465,1093 27.695,1094 3.02,1095 17.05,1096 21.35,1097 2.856,1098 34.456,1099 16.584,1100 1.689,1101 5.978,1102 29.585,1103 2.672,1104 18.198,1105 22.823,1106 2.541,1107 36.857,1108 17.704,1109 9851,1110 15574,1111 22.482,1112 35.949,1113 50.718,1114 51.947,1115 52.374,1116 50.571,1117 50.321,1118 64.231,1119 6.186,1120 150.487,1121 47.97,1122 5.635,1123 5.78,1124 6.541,1125 5.315,1126 5.277,1127 7.535,1128 2.293,1129 18.936,1130 5.183,1131 12.089,1132 1.537,1133 1.574,1134 1.587,1135 1.532,1136 1.525,1137 1.946,1138 0.187,1139 4.56,1140 1.454,1141 4.136,1142 4.165,1143 4.11,1144 4.063,1145 7.428,1146 4.068,1147 3.915,1148 3.939,1149 3.997,1150 3.858,1151 4.97,1152 3.853,1153 3.812,1154 3.88,1155 3.715,1156 3.624,1157 4.909,1158 3.636,1159 3.647,1160 3.703,1161 3.571,1162 3.498,1163 4.489,1164 3.504,1165 3.238,1166 3.318,1167 3.302,1168 3.039,1169 4.35,1170 3.06,1171 3.174,1172 3.218,1173 3.165,1174 3.014,1175 4.334,1176 3.01,1177 3.111,1178 3.206,1179 3.043,1180 2.941,1181 3.933,1182 2.926,1183 3.105,1184 3.168,1185 2.952,1186 2.929,1187 3.857,1188 2.91,1189 0.14,1190 0.115,1191 0.208,1192 0.129,1193 0.099,1194 4.635,1195 0.137,1196 3.78,1197 0.036,1198 6.856,1199 0.345,1200 4.248,1201 0.096,1202 3.277,1203 4.535,1204 1.2,1205 11.397,1206 3.183,1207 2.051,1208 2.03,1209 2.116,1210 2.139,1211 1.335,1212 2.134,1213 1.895,1214 1.877,1215 1.98,1216 1.982,1217 1.238,1218 1.986,1219 1.747,1220 1.674,1221 1.958,1222 1.955,1223 1.098,1224 1.963,1225 1.505,1226 1.443,1227 1.744,1228 1.703,1229 1.017,1230 1.719,1231 1.414,1232 1.37,1233 1.557,1234 1.594,1235 0.825,1236 1.583,1237 1.183,1238 1.088,1239 1.517,1240 1.451,1241 0.669,1242 1.482,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.615,1248 1.429,1249 1.033,1250 1,1251 1.208,1252 1.222,1253 0.334,1254 1.213,1255 4.205,1257 5.557,1258 2.398,1259 7.116,1260 4.727,1261 8.767,1262 6.843,1263 10.466,1265 2.152,1266 6.29,1271 5.505,1276 6.546,1280 33.896,1281 80.339,1282 180.558,1283 230.797,1284 265.668,1285 267.668,1286 267.668,1287 42.546,1288 8.322,1289 39.68,1290 39.68,1291 29,1292 12.862,1293 4.248,1294 3.392,1295 39.455,1296 108,1297 116,1298 0.182,1299 207.587,1300 356.2,1301 498.272,1302 49845,1303 1.9,1304 19.957,1305 0.688,1306 0.593,1307 20.457,1308 17.192,1309 14.114,1310 0.428,1311 0.315,1312 9.941,1313 13.388,1314 9.668,1315 7.931,1316 14.403,1317 10.41,1318 12.96,1319 0.27,1320 0.171,1321 13.331,1322 8.221,1323 11.638,1324 0.171,1325 0.093,1326 11.997,1327 6.32,1328 9.996,1329 0.107,1330 0.049,1331 10.333,1332 4.523,1333 8.312,1334 0.068,1335 0.026,1336 8.514,1337 3.258,1338 0.279,1339 90.701,1340 0.211,1341 27.06,1342 0.517,1343 162,1344 414.519,1345 188.421,1346 436.477,1347 600.51,1348 410,1349 197,1350 429.062,1351 221.583,1352 447.347,1353 664.81,1354 422,1355 8.6} {0 CHEMBL195114,1 1.419,2 13.027,3 4.986,4 24.857,5 148.11,6 7.14,7 0.548,8 4.329,9 4.448,10 3.882,11 3.9,12 5.356,13 3.869,14 4.896,15 5.081,16 4.261,17 4.318,18 5.85,19 4.273,20 5.132,21 5.327,22 4.379,23 4.517,24 6.087,25 4.445,26 5.25,27 5.454,28 4.395,29 4.567,30 6.23,31 4.477,32 5.313,33 5.537,34 4.396,35 4.559,36 6.28,37 4.472,38 5.258,39 5.464,40 4.351,41 4.567,42 6.204,43 4.469,44 5.315,45 5.552,46 4.268,47 4.568,48 6.217,49 4.432,50 5.293,51 5.558,52 4.126,53 4.428,54 6.159,55 4.288,56 0.039,57 0.992,58 14.675,59 6.409,60 9.77,61 8.622,62 0.3,63 1.694,64 28.541,65 10.409,66 24.342,67 14.463,68 0.349,69 2.095,70 36.334,71 13.96,72 31.225,73 19.335,74 0.289,75 2.241,76 41.577,77 16.72,78 46.677,79 22.785,80 0.501,81 2.332,82 46.123,83 16.936,84 62.843,85 23.151,86 0.493,87 2.269,88 42.442,89 16.141,90 50.28,91 22.108,92 0.489,93 2.364,94 45.541,95 18.192,96 58.06,97 25.571,98 0.394,99 2.202,100 46.599,101 17.497,102 58.135,103 24.575,104 18,105 61,106 0.221,107 0.53,108 0.719,109 0.834,110 0.85,111 0.859,112 3.643,113 0.925,114 -4.88,115 -4.79,116 -4.49,119 44.9,120 1,121 1,124 2,125 5,140 11,141 5,142 3,144 2,156 1,169 15,171 1,172 11,178 19,181 2,182 11,189 18,192 1,193 14,199 17,202 1,203 12,211 19,214 2,215 5,222 21,225 4,226 6,233 19,237 8,244 8,248 1,249 14,256 4,259 2501,260 25.455,261 25.455,262 25.455,263 25.455,264 25.455,265 22.72,266 26.769,267 14.71,268 25.996,269 20.667,270 20.667,271 20.667,272 20.667,273 20.667,274 16.34,275 37.468,276 6.883,277 21.423,278 4.69,279 2.695,280 1.483,281 0.739,282 0.642,283 0.584,284 4.36,289 1,290 1074,291 3.24,294 78.39,295 487.002,298 142.314,299 153.387,302 1.923,303 24.997,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 78,315 482,316 4.682,317 3.775,318 6.94,319 4.287,320 3.303,321 4.609,322 1.2,323 11.691,324 3.259,325 4.504,326 3.345,327 6.728,328 4.141,329 3.166,330 4.148,331 0.86,332 10.983,333 3.077,334 4.19,335 3.15,336 6.471,337 3.87,338 2.915,339 3.758,340 0.8,341 10.042,342 2.793,343 4.019,344 2.964,345 6.193,346 3.67,347 2.7,348 3.422,349 0.8,350 9.079,351 2.604,352 3.769,353 2.734,354 5.69,355 3.413,356 2.453,357 3.167,358 0.293,359 7.461,360 2.369,361 3.518,362 2.666,363 5.327,364 3.281,365 2.327,366 2.873,368 6.611,369 2.194,370 3.447,371 2.413,372 5.16,373 3.095,374 2.114,375 2.572,377 6.116,378 2.074,379 3.212,380 2.282,381 4.97,382 2.914,383 1.977,384 2.355,386 5.7,387 1.851,388 3.031,389 1.941,390 4.873,391 2.666,392 1.707,393 2.202,395 5.145,396 1.625,397 2.978,398 1.812,399 4.491,400 2.51,401 1.518,402 2.156,404 4.196,405 1.504,406 2.768,407 1.57,408 4.319,409 2.426,410 1.448,411 1.896,413 3.926,414 1.412,415 2.707,416 1.561,417 3.893,418 2.274,419 1.277,420 1.735,422 2.876,423 1.273,424 2.641,425 1.277,426 3.687,427 2.146,428 1.164,429 1.706,431 2.738,432 1.141,433 2.388,434 1.17,435 3.595,436 2.043,437 1.049,438 1.345,440 2.531,441 1.036,442 2.168,443 1.166,444 3.501,445 1.967,446 1,447 1,449 2.275,450 0.965,451 17.767,452 0.48,453 0.901,454 0.024,455 49.5,456 1.338,457 25,458 0.676,459 24.5,460 0.662,461 34.621,462 0.936,463 38.633,464 0.56,465 41.352,466 1.118,467 9.753,468 0.264,469 8.276,470 0.224,471 0.103,473 0.377,479 0.778,480 1.36,481 0.798,482 1.099,483 0.596,484 0.973,485 1.176,486 0.973,487 0.875,488 0.786,489 0.647,490 0.783,491 1.001,492 0.969,493 0.984,494 0.955,495 0.833,496 0.954,497 1.052,498 1.122,499 0.982,500 1.117,501 1.323,502 1.058,503 1.433,504 0.962,505 0.98,506 0.91,507 1.509,508 0.903,509 1.261,510 1.015,511 1.121,512 1.022,513 1.231,514 1.052,515 0.648,516 1.01,517 1.024,518 1.109,519 0.788,520 1.108,521 1.092,522 0.985,523 0.942,524 0.975,525 1.393,526 0.954,527 6.5,528 0.214,529 4.889,530 2.944,531 2.516,532 1.566,533 1.246,534 0.744,535 0.506,536 0.322,537 21043,538 45559,539 2.163,540 46.4,542 27,546 3,547 2,550 1.784,551 2.037,552 3.665,553 -0.832,559 97.908,560 1.419,561 3.414,562 4.626,563 5.369,564 5.467,565 5.525,566 3.113,567 4.831,568 5.18,569 3.809,570 2536.53,571 9.133,572 39637.4,577 421.488,578 1.371,579 5.147,580 0.155,581 0.005,582 0.08,583 0.044,584 0.038,585 0.024,586 0.02,587 0.013,588 0.011,589 0.007,590 0.397,591 0.33,592 0.75,593 0.629,594 201.183,595 0.027,596 -0.222,597 0.084,598 -0.076,599 -0.007,600 -0.006,601 -0.064,602 0.15,603 0.085,604 0.176,605 0.034,606 0.154,607 -0.024,608 0.114,609 -0.032,610 0.025,611 0.016,612 0.005,613 -0.001,614 -0.122,615 -0.018,616 -0.112,617 -0.001,618 -0.074,619 -0.079,620 0.029,621 0.03,622 0.067,623 -0.062,624 0.06,625 -0.082,626 0.011,627 -0.143,628 -0.037,629 -0.086,630 -0.089,631 0.162,632 -0.031,633 -0.06,634 -0.109,635 0.137,636 -0.108,637 -0.021,638 -0.061,639 0.071,640 0.014,641 -0.015,642 0.045,643 1.631,644 7.069,645 0.838,646 41.27,647 0.992,648 1.119,649 3.65,650 13.32,651 0.675,652 3.761,653 4.127,654 4.477,655 4.804,656 5.1,657 5.257,658 5.468,659 5.642,660 5.784,661 5.911,662 7.518,663 0.636,664 492.67,665 3.761,666 5.333,667 6.221,668 7.128,669 8.034,670 8.949,671 9.862,672 10.781,673 11.698,674 12.619,675 5.8,678 1,681 1,682 1,685 1,687 2,688 11,689 1,693 8,695 23,703 1,709 1,712 1,714 69,716 24,717 3,718 42,720 74,721 31,722 21,723 8,724 8,725 1,730 6,731 8,736 1,740 1,743 1,745 22,746 9,750 1,755 1,759 1,764 32,765 6,767 6,773 4,777 0.667,778 2,786 1,792 1,793 5,796 1,797 1,815 1,819 4,823 3,827 37,833 6,835 1,838 3,847 2.9,850 1,852 1,854 18.167,855 13.55,856 8.028,857 4.262,858 4.145,859 1.462,860 1.025,861 6.354,862 13.125,863 4.016,864 4.649,865 5.302,866 5.939,867 6.55,868 6.916,869 7.393,870 7.814,871 8.222,872 8.538,873 0.889,874 67,875 13.746,877 5.935,878 7.523,879 26.93,881 22.867,883 2.023,884 74.833,888 376.675,889 181.084,890 26.158,892 36.145,895 181.084,896 412.82,897 26.158,898 28.105,899 16.187,900 104.239,901 46.635,902 48.222,904 376.675,906 376.675,907 207.243,908 36.145,911 353.133,912 59.687,915 33.65,916 156.807,917 16.786,919 376.675,920 62.303,921 181.084,924 376.675,925 48.741,926 141.716,928 52.93,929 376.675,930 62.303,931 181.084,933 0.587,934 0.358,935 0.204,936 0.117,937 32,938 14,939 0.054,940 4,941 2,942 1.129,943 4.59,944 391.453,945 0.129,946 31,947 186.75,951 23.964,952 9.81,953 4.367,954 1.994,955 62.303,956 22.501,957 4.736,961 7.767,964 620.063,965 54.5,970 14.069,974 0.035,975 68.432,976 77.225,977 0.232,978 0.559,979 0.757,980 0.879,981 0.895,982 0.904,983 5.282,984 1.977,985 6.221,986 6.116,987 4.812,988 5.338,989 1.985,990 7.091,991 4.749,992 6.496,993 1.707,994 7.814,995 5.7,996 4.443,997 5.19,998 0.766,999 8.098,1000 4.344,1001 7.819,1002 1.518,1003 9.509,1004 5.145,1005 6.46,1006 7.577,1007 1.879,1008 11.25,1009 6.34,1010 9.179,1011 1.448,1012 11.264,1013 4.196,1014 6.929,1015 8.279,1016 0.931,1017 13.092,1018 6.78,1019 10.575,1020 1.277,1021 13.058,1022 3.926,1023 8.408,1024 10.144,1025 1.952,1026 15.764,1027 8.242,1028 11.995,1029 1.164,1030 14.879,1031 2.876,1032 9.257,1033 11.249,1034 1.142,1035 17.941,1036 9.068,1037 13.434,1038 1.049,1039 16.719,1040 2.738,1041 10.531,1042 12.901,1043 2.113,1044 20.452,1045 10.326,1046 3.303,1047 1,1048 18.574,1049 2.531,1050 11.553,1051 14.207,1052 1.436,1053 22.769,1054 11.33,1055 3.166,1056 11.691,1057 20.44,1058 2.275,1059 12.751,1060 15.768,1061 2.33,1062 25.224,1063 12.512,1064 2.915,1065 10.983,1066 22.315,1067 4.609,1068 13.851,1069 17.174,1070 1.783,1071 27.601,1072 13.596,1073 2.7,1074 10.042,1075 24.196,1076 4.148,1077 15.024,1078 18.699,1079 2.586,1080 30.038,1081 14.754,1082 2.453,1083 9.079,1084 26.084,1085 3.758,1086 16.161,1087 20.156,1088 2.156,1089 32.444,1090 15.876,1091 2.327,1092 7.461,1093 27.976,1094 3.422,1095 17.327,1096 21.669,1097 2.87,1098 34.876,1099 17.029,1100 2.114,1101 6.611,1102 29.873,1103 3.167,1104 18.481,1105 23.153,1106 2.541,1107 37.297,1108 18.169,1109 19383,1110 28698,1111 28.55,1112 46.591,1113 64.247,1114 65.467,1115 66.617,1116 63.889,1117 63.896,1118 82.348,1119 7.906,1120 191.454,1121 61.833,1122 5.682,1123 5.775,1124 6.619,1125 5.354,1126 5.303,1127 7.609,1128 2.293,1129 19.473,1130 5.259,1131 16.631,1132 1.53,1133 1.559,1134 1.586,1135 1.521,1136 1.521,1137 1.961,1138 0.188,1139 4.558,1140 1.472,1141 4.144,1142 4.165,1143 4.109,1144 4.094,1145 7.428,1146 4.094,1147 4.013,1148 4.045,1149 3.968,1150 3.926,1151 4.958,1152 3.932,1153 3.84,1154 3.885,1155 3.78,1156 3.746,1157 4.846,1158 3.749,1159 3.786,1160 3.854,1161 3.674,1162 3.593,1163 4.76,1164 3.603,1165 3.531,1166 3.566,1167 3.459,1168 3.414,1169 4.426,1170 3.413,1171 3.43,1172 3.48,1173 3.322,1174 3.279,1175 4.357,1176 3.286,1177 3.239,1178 3.309,1179 3.144,1180 3.118,1181 4.287,1182 3.115,1183 3.218,1184 3.286,1185 3.03,1186 2.96,1187 3.953,1188 2.957,1189 0.111,1190 0.09,1191 0.165,1192 0.102,1193 0.079,1194 4.682,1195 0.11,1196 3.775,1197 0.029,1198 6.94,1199 0.278,1200 4.287,1201 0.078,1202 3.303,1203 4.609,1204 1.2,1205 11.691,1206 3.259,1207 2.1,1208 2.085,1209 2.164,1210 2.154,1211 1.331,1212 2.157,1213 1.914,1214 1.887,1215 2.028,1216 2.058,1217 1.31,1218 2.053,1219 1.82,1220 1.784,1221 1.947,1222 1.938,1223 1.16,1224 1.942,1225 1.71,1226 1.642,1227 1.899,1228 1.891,1229 1.008,1230 1.895,1231 1.545,1232 1.502,1233 1.736,1234 1.739,1235 0.978,1236 1.74,1237 1.437,1238 1.382,1239 1.646,1240 1.577,1241 0.825,1242 1.602,1243 1.25,1244 1.201,1245 1.568,1246 1.517,1247 0.715,1248 1.534,1249 1.194,1250 1.122,1251 1.54,1252 1.466,1253 0.645,1254 1.493,1255 4.443,1257 5.796,1258 2.398,1259 7.357,1260 4.727,1261 9.012,1262 6.843,1263 10.717,1265 5.887,1271 5.397,1273 5.788,1276 6.66,1280 43.89,1281 97.908,1282 235.532,1283 319.196,1284 370.469,1285 377.224,1286 381.224,1287 55.941,1288 8.98,1289 48.91,1290 48.91,1291 35,1292 13.128,1293 4.644,1294 3.755,1295 50.923,1296 167,1297 178,1298 0.149,1299 263.814,1300 457,1301 635.465,1302 113209,1304 25.518,1305 0.69,1306 0.586,1307 25.518,1308 21.699,1309 18.029,1310 0.429,1311 0.308,1312 12.792,1313 17.44,1314 12.388,1315 10.247,1316 18.029,1317 12.953,1318 16.397,1319 0.269,1320 0.164,1321 16.397,1322 10.02,1323 14.713,1324 0.169,1325 0.088,1326 14.713,1327 7.684,1328 12.818,1329 0.106,1330 0.046,1331 12.818,1332 5.62,1333 10.927,1334 0.067,1335 0.025,1336 10.927,1337 4.093,1338 0.232,1339 112.086,1340 0.187,1341 33.261,1342 0.414,1343 206,1344 512.052,1345 220.057,1346 500.621,1347 708.14,1348 474,1349 251,1350 538.097,1351 266.918,1352 551.099,1353 816.36,1354 519,1355 7.6} {0 CHEMBL195432,1 1.685,2 10.828,3 4.235,4 17.939,5 117.249,6 8.215,7 0.375,8 4.078,9 4.197,10 3.732,11 3.603,12 5.12,13 3.581,14 4.654,15 4.841,16 4.138,17 4.024,18 5.654,19 3.982,20 4.888,21 5.08,22 4.357,23 4.224,24 5.913,25 4.143,26 4.983,27 5.196,28 4.186,29 4.203,30 5.986,31 4.101,32 5.001,33 5.24,34 4.122,35 4.105,36 6.018,37 4.023,38 4.85,39 5.05,40 4.126,41 4.104,42 5.884,43 4.026,44 4.94,45 5.17,46 4.083,47 4.185,48 5.861,49 4.045,50 4.963,51 5.227,52 3.948,53 4.057,54 5.876,55 3.898,56 0.049,57 0.78,58 9.972,59 4.628,60 5.83,61 6.092,62 0.41,63 1.268,64 22.584,65 7.726,66 23.395,67 10.44,68 0.499,69 1.508,70 35.069,71 10.742,72 34.059,73 14.265,74 0.428,75 1.551,76 37.53,77 12.493,78 44.863,79 16.648,80 0.763,81 1.504,82 40.943,83 11.686,84 69.941,85 15.589,86 0.635,87 1.414,88 29.636,89 10.007,90 48.06,91 13.257,92 0.499,93 1.489,94 35.066,95 12.356,96 42.597,97 16.876,98 0.569,99 1.359,100 43.415,101 12.611,102 59.427,103 16.978,104 27,105 46,106 0.282,107 0.584,108 0.762,109 0.853,110 0.853,111 0.853,112 3.409,113 0.975,114 -4.06,115 -4,116 -3.79,119 39.6,121 1,124 2,125 5,140 5,141 1,142 6,157 1,169 4,171 1,172 5,174 2,176 1,178 4,181 2,182 4,186 2,189 6,192 1,193 7,197 5,199 2,202 1,203 7,208 1,214 2,215 5,218 1,222 3,225 2,226 1,229 1,233 7,237 2,244 8,248 1,249 3,252 1,256 2,259 1345,260 19.524,261 19.524,262 19.524,263 19.524,264 19.524,265 17.862,266 29.053,267 11.19,268 20.27,269 15.676,270 15.676,271 15.676,272 15.676,273 15.676,274 13.038,275 41.772,276 5.194,277 16.915,278 4.043,279 2.239,280 1.176,281 0.632,282 0.632,283 0.632,284 4.101,285 2,288 1,289 1,290 675,291 3.162,294 65.597,295 258.927,298 117.15,302 1.707,303 27.017,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 62.667,315 314,316 4.517,317 3.761,318 6.757,319 4.188,320 3.229,321 4.149,322 1.701,323 11.08,324 3.096,325 4.328,326 3.398,327 6.439,328 3.895,329 2.978,330 3.985,331 0.86,332 9.927,333 2.734,334 4.072,335 3.32,336 6.334,337 3.786,338 2.863,339 3.374,340 0.8,341 9.419,342 2.599,343 3.652,344 2.969,345 5.637,346 3.39,347 2.455,348 2.881,349 0.8,350 7.353,351 2.286,352 3.438,353 2.725,354 5.263,355 3.205,356 2.257,357 2.547,358 0.563,359 6.436,360 2.121,361 3.236,362 2.419,363 5.029,364 2.894,365 1.986,366 2.418,367 0.075,368 5.773,369 1.786,370 3.111,371 2.389,372 4.924,373 2.745,374 1.829,375 2.24,377 5.415,378 1.614,379 2.866,380 1.931,381 4.503,382 2.453,383 1.479,384 2.029,386 4.3,387 1.431,388 2.715,389 1.821,390 4.003,391 2.359,392 1.414,393 1.74,395 3.193,396 1.283,397 2.337,398 1.57,399 3.842,400 2.087,401 1.125,402 1.276,404 2.95,405 1.067,406 2,407 1.176,408 3.683,409 1.967,410 1,411 1,413 2.275,414 0.965,415 1.964,416 1.165,417 3.414,418 1.771,419 0.837,420 0.912,422 2.136,423 0.774,424 1.547,425 1.146,426 2.986,427 1.264,428 0.401,429 0.443,431 0.798,432 0.327,433 1.484,434 0.795,435 2.747,436 1.058,437 0.256,438 0.294,440 0.488,441 0.169,442 1.104,443 0.374,444 2.697,445 0.809,446 -0.14,447 -0.147,449 -0.307,450 -0.129,451 14.195,452 0.489,453 0.784,454 0.027,455 35.5,456 1.224,457 15.5,458 0.534,459 20,460 0.69,461 27.646,462 0.953,463 32.005,464 0.604,465 26.914,466 0.928,467 7.007,468 0.242,469 6.967,470 0.24,471 0.195,473 0.366,479 0.754,480 1.586,481 0.585,482 1.054,483 0.543,484 0.959,485 0.965,486 0.984,487 0.656,488 0.681,489 0.558,490 0.738,491 0.879,492 1.077,493 0.778,494 0.943,495 0.768,496 0.974,497 0.946,498 1.232,499 0.895,500 1.162,501 1.082,502 1.109,503 1.217,504 0.92,505 0.778,506 0.837,507 1.268,508 0.835,509 1.02,510 0.997,511 0.731,512 0.913,513 0.977,514 0.985,515 0.656,516 1.052,517 0.838,518 1.045,519 0.685,520 1.099,521 1.102,522 0.959,523 0.985,524 0.933,525 1.216,526 0.95,527 6,528 0.153,529 4.222,530 2.257,531 1.965,532 1.132,533 0.931,534 0.481,535 0.353,536 0.273,537 10319,538 29610,539 2.07,540 45.3,542 21,545 1,547 2,550 1.722,551 1.912,552 3.406,553 -0.302,555 1,559 89.302,560 1.685,561 3.489,562 4.552,563 5.096,564 5.096,565 5.096,566 2.902,567 4.72,568 4.829,569 3.566,570 1447.88,571 8.427,572 19230.6,574 1,576 1,577 303.58,578 1.487,579 4.777,580 0.188,581 0.007,582 0.092,583 0.046,584 0.045,585 0.027,586 0.022,587 0.013,588 0.011,589 0.011,590 0.461,591 0.67,592 1,593 0.772,594 146.115,595 -0.039,596 -0.334,597 0.028,598 -0.112,599 -0.013,600 -0.033,601 -0.033,602 0.188,603 0.067,604 0.218,605 0.069,606 0.167,607 0.026,608 0.024,609 0.082,610 0.01,611 0.053,612 -0.028,613 -0.016,614 -0.232,615 -0.04,616 -0.195,617 -0.017,618 -0.135,619 -0.035,620 0.039,621 0.05,622 0.082,623 0.005,624 0.107,625 0.027,626 0.069,627 -0.015,628 0.001,629 0.047,630 -0.059,631 0.098,632 -0.052,633 -0.014,634 -0.075,635 0.078,636 -0.105,637 -0.101,638 -0.072,639 0.016,640 0.049,641 -0.07,642 0.053,643 1.887,644 5.988,645 0.724,646 27.315,647 1.008,648 1.13,649 2.825,650 7.983,651 0.68,652 3.497,653 3.85,654 4.159,655 4.419,656 4.663,657 4.787,658 4.934,659 5.069,660 5.136,661 5.236,662 6.454,663 0.641,664 435.39,665 3.497,666 5.056,667 5.927,668 6.819,669 7.708,670 8.605,671 9.501,672 10.402,673 11.302,674 12.206,675 7.5,678 1,681 1,682 2,688 5,693 7,695 12,709 1,712 1,713 2,714 53,716 13,717 2,718 32,720 56,721 21,722 12,723 7,724 5,730 4,731 5,732 2,735 1,740 1,743 1,745 13,746 8,750 1,755 1,759 1,761 1,764 24,765 6,766 1,767 8,768 2,773 4,777 0.75,778 2,792 1,793 3,796 1,815 1,819 3,823 2,824 2,827 29,833 6,834 1,835 1,838 3,846 2,847 3.8,850 1,852 1,854 15.167,855 10.136,856 6.361,857 3.144,858 2.216,859 1.285,860 0.988,861 6.224,862 9.997,863 3.689,864 4.263,865 4.804,866 5.322,867 5.823,868 6.045,869 6.302,870 6.561,871 6.711,872 6.999,873 1,874 49,875 10.745,877 4.582,878 7.692,879 20.698,881 17.177,883 2.192,884 63.556,887 1,888 270.735,889 107.7,890 27.384,891 78.297,892 36.145,895 107.7,896 385.177,897 27.384,898 19.279,899 34.198,900 47.381,901 25.145,902 40.949,903 4.276,904 270.735,905 78.297,906 270.735,907 135.084,908 36.145,909 78.297,911 247.193,912 59.687,915 37.322,916 97.761,917 78.297,919 270.735,920 63.529,921 185.997,924 270.735,925 41.039,926 76.034,927 18.011,928 114.442,929 270.735,930 63.529,931 185.997,933 0.59,934 0.358,935 0.188,936 0.104,937 23,938 11,939 0.054,940 3,941 1,942 1.095,943 3.946,944 263.658,945 0.095,946 21,947 136.881,951 20.754,952 8.698,953 4.203,955 63.529,956 9.332,961 5.157,963 18.011,964 520.261,965 39,970 12.988,974 -0.22,975 53.429,976 59.867,977 0.294,978 0.609,979 0.795,980 0.89,981 0.89,982 0.89,983 4.963,984 1.479,985 5.932,986 5.415,987 4.533,988 4.949,989 2.286,990 6.779,991 4.39,992 6.16,993 1.414,994 7.52,995 4.3,996 4.205,997 4.832,998 1.494,999 7.748,1000 3.947,1001 7.475,1002 1.125,1003 9.206,1004 3.193,1005 6.168,1006 7.088,1007 2.662,1008 10.859,1009 5.902,1010 8.822,1011 1,1012 10.949,1013 2.95,1014 6.648,1015 7.77,1016 2.523,1017 12.637,1018 6.27,1019 10.203,1020 0.837,1021 12.727,1022 2.275,1023 8.093,1024 9.546,1025 3.432,1026 15.271,1027 7.708,1028 11.605,1029 0.401,1030 14.53,1031 2.136,1032 8.933,1033 10.587,1034 3.619,1035 17.383,1036 8.456,1037 13.024,1038 0.256,1039 16.35,1040 0.798,1041 10.183,1042 12.171,1043 4.37,1044 19.851,1045 9.686,1046 3.229,1047 -0.14,1048 18.183,1049 0.488,1050 11.186,1051 13.388,1052 4.719,1053 22.107,1054 10.617,1055 2.978,1056 11.08,1057 20.027,1058 -0.307,1059 12.362,1060 14.883,1061 5.375,1062 24.513,1063 11.763,1064 2.863,1065 9.927,1066 21.879,1067 4.149,1068 13.439,1069 16.189,1070 5.808,1071 26.835,1072 12.785,1073 2.455,1074 9.419,1075 23.737,1076 3.985,1077 14.589,1078 17.641,1079 6.41,1080 29.221,1081 13.901,1082 2.257,1083 7.353,1084 25.601,1085 3.374,1086 15.701,1087 18.993,1088 6.887,1089 31.574,1090 14.966,1091 1.986,1092 6.436,1093 27.469,1094 2.881,1095 16.845,1096 20.424,1097 7.458,1098 33.955,1099 16.074,1100 1.829,1101 5.773,1102 29.341,1103 2.547,1104 17.975,1105 21.801,1106 7.96,1107 36.324,1108 17.163,1109 9907,1110 17015,1111 21.096,1112 36.023,1113 48.41,1114 50.388,1115 50.88,1116 48.31,1117 48.217,1118 58.578,1119 9.6,1120 143.086,1121 44.506,1122 5.517,1123 5.761,1124 6.293,1125 5.255,1126 5.229,1127 7.149,1128 2.972,1129 18.276,1130 5.096,1131 15.731,1132 1.513,1133 1.575,1134 1.59,1135 1.51,1136 1.507,1137 1.831,1138 0.3,1139 4.471,1140 1.391,1141 4.052,1142 4.088,1143 4.126,1144 3.949,1145 7.429,1146 3.957,1147 3.902,1148 3.924,1149 3.987,1150 3.849,1151 5.042,1152 3.841,1153 3.79,1154 3.862,1155 3.68,1156 3.592,1157 4.85,1158 3.602,1159 3.507,1160 3.551,1161 3.485,1162 3.297,1163 4.494,1164 3.318,1165 3.27,1166 3.326,1167 3.386,1168 3.032,1169 4.429,1170 3.06,1171 3.218,1172 3.302,1173 3.271,1174 2.941,1175 4.357,1176 2.946,1177 3.111,1178 3.206,1179 3.113,1180 2.94,1181 4.294,1182 2.91,1183 3.078,1184 3.174,1185 3.026,1186 2.858,1187 3.96,1188 2.84,1189 0.141,1190 0.118,1191 0.211,1192 0.131,1193 0.101,1194 4.517,1195 0.13,1196 3.761,1197 0.053,1198 6.757,1199 0.346,1200 4.188,1201 0.097,1202 3.229,1203 4.149,1204 1.701,1205 11.08,1206 3.096,1207 1.916,1208 1.89,1209 2.028,1210 2.061,1211 1.311,1212 2.054,1213 1.873,1214 1.855,1215 1.935,1216 1.965,1217 1.16,1218 1.967,1219 1.71,1220 1.642,1221 1.899,1222 1.89,1223 1.06,1224 1.895,1225 1.508,1226 1.445,1227 1.727,1228 1.739,1229 0.98,1230 1.737,1231 1.24,1232 1.183,1233 1.57,1234 1.533,1235 0.825,1236 1.542,1237 1.175,1238 1.082,1239 1.536,1240 1.476,1241 0.644,1242 1.498,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.579,1248 1.429,1249 1.083,1250 1.007,1251 1.29,1252 1.356,1253 0.354,1254 1.356,1255 4.174,1257 5.517,1258 2.398,1259 7.059,1260 4.727,1261 8.689,1262 6.843,1263 10.365,1265 3.826,1266 12.299,1271 5.238,1272 2.886,1273 5.664,1276 6.387,1280 33.965,1281 89.302,1282 184.937,1283 241.241,1284 270.07,1285 270.07,1286 270.07,1287 49.813,1288 7.781,1289 48.05,1290 48.05,1291 23,1292 12.726,1293 3.807,1294 3,1295 44.584,1296 111,1297 115,1298 0.196,1299 213.98,1300 374.14,1301 513.87,1302 25429,1303 3.8,1304 20.543,1305 0.708,1306 0.623,1307 21.543,1308 18.055,1309 13.974,1310 0.437,1311 0.325,1312 9.543,1313 12.838,1314 9.217,1315 7.583,1316 14.551,1317 10.402,1318 12.729,1319 0.277,1320 0.177,1321 13.433,1322 8.161,1323 11.253,1324 0.179,1325 0.101,1326 12.264,1327 6.377,1328 9.059,1329 0.11,1330 0.051,1331 9.532,1332 4.203,1333 7.381,1334 0.07,1335 0.028,1336 7.753,1337 2.918,1338 0.304,1339 94.102,1340 0.218,1341 27.259,1342 0.55,1343 156,1344 453.146,1345 201.262,1346 492.652,1347 654.75,1348 460,1349 187,1350 435.259,1351 232.092,1352 460.703,1353 680.32,1354 431,1355 7.9} {0 CHEMBL195497,1 1.394,2 13.179,3 5.741,4 32.956,5 156.946,6 6.943,7 0.523,8 4.402,9 4.525,10 3.929,11 3.969,12 5.415,13 3.931,14 4.977,15 5.167,16 4.325,17 4.39,18 5.908,19 4.341,20 5.233,21 5.433,22 4.466,23 4.609,24 6.171,25 4.535,26 5.393,27 5.605,28 4.477,29 4.693,30 6.34,31 4.591,32 5.488,33 5.732,34 4.463,35 4.693,36 6.393,37 4.581,38 5.405,39 5.632,40 4.442,41 4.676,42 6.313,43 4.567,44 5.429,45 5.663,46 4.371,47 4.668,48 6.329,49 4.535,50 5.407,51 5.667,52 4.242,53 4.562,54 6.262,55 4.421,56 0.053,57 1.073,58 16.528,59 7.107,60 12.239,61 9.723,62 0.306,63 1.832,64 31.71,65 11.59,66 27.671,67 16.422,68 0.402,69 2.334,70 41.196,71 15.287,72 35.764,73 21.623,74 0.367,75 2.594,76 48.908,77 19.129,78 54.014,79 26.583,80 0.558,81 2.725,82 55.825,83 20.665,84 72.055,85 28.963,86 0.521,87 2.581,88 50.375,89 19.136,90 58.46,91 26.833,92 0.597,93 2.609,94 51.782,95 20.25,96 68.081,97 28.316,98 0.449,99 2.491,100 51.741,101 19.184,102 64.314,103 27.235,104 38,105 65,106 0.213,107 0.531,108 0.741,109 0.826,110 0.84,111 0.848,112 3.694,113 0.941,114 -5.25,115 -5.14,116 -4.81,119 44,120 3,121 1,124 2,125 3,127 2,140 11,141 5,142 3,144 2,156 1,169 15,171 1,172 13,178 19,181 2,182 13,189 18,192 1,193 14,199 18,202 1,203 12,211 21,214 2,215 7,222 23,225 4,226 8,233 21,237 8,244 10,248 1,249 16,256 6,259 2862,260 26.455,261 26.455,262 26.455,263 26.455,264 26.455,265 23.72,266 29.931,267 15.074,268 26.983,269 21.609,270 21.609,271 21.609,272 21.609,273 21.609,274 17.281,275 44.539,276 7.026,277 22.36,278 4.834,279 2.759,280 1.388,281 0.834,282 0.744,283 0.69,284 4.406,289 1,290 1136,291 3.391,294 84.21,295 519.959,298 151.819,299 164.023,302 1.988,303 26.815,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 82,315 514,316 4.682,317 3.775,318 6.94,319 4.288,320 3.305,321 4.609,322 1.2,323 11.691,324 3.259,325 4.507,326 3.395,327 6.732,328 4.152,329 3.18,330 4.149,331 0.86,332 11.002,333 3.082,334 4.199,335 3.193,336 6.514,337 3.961,338 3.014,339 3.758,340 0.8,341 10.181,342 2.851,343 4.055,344 3.104,345 6.266,346 3.772,347 2.805,348 3.426,349 0.8,350 9.23,351 2.717,352 3.892,353 2.885,354 6.162,355 3.606,356 2.65,357 3.179,358 0.293,359 8.845,360 2.522,361 3.728,362 2.673,363 5.685,364 3.36,365 2.373,366 2.926,368 7.423,369 2.332,370 3.496,371 2.45,372 5.279,373 3.105,374 2.126,375 2.859,377 6.379,378 2.084,379 3.26,380 2.282,381 5.108,382 2.938,383 1.997,384 2.463,386 5.881,387 1.875,388 3.041,389 1.982,390 4.909,391 2.856,392 1.879,393 2.208,395 5.225,396 1.833,397 2.979,398 1.941,399 4.879,400 2.67,401 1.709,402 2.171,404 5.208,405 1.631,406 2.879,407 1.812,408 4.512,409 2.51,410 1.518,411 1.896,413 4.236,414 1.504,415 2.769,416 1.571,417 4.33,418 2.427,419 1.448,420 1.879,422 3.934,423 1.413,424 2.713,425 1.561,426 3.906,427 2.274,428 1.277,429 1.745,431 2.876,432 1.273,433 2.641,434 1.277,435 3.747,436 2.146,437 1.164,438 1.707,440 2.738,441 1.141,442 2.388,443 1.176,444 3.595,445 2.043,446 1.049,447 1.345,449 2.532,450 1.036,451 18.767,452 0.481,453 1.079,454 0.028,455 50.5,456 1.295,457 25,458 0.641,459 25.5,460 0.654,461 40.715,462 1.044,463 41.233,464 0.55,465 43.02,466 1.103,467 9.712,468 0.249,469 9.139,470 0.234,471 0.151,473 0.41,479 0.78,480 1.367,481 0.83,482 1.12,483 0.64,484 1.001,485 1.132,486 1.026,487 0.845,488 0.814,489 0.629,490 0.793,491 1.083,492 0.991,493 1.004,494 0.945,495 0.819,496 0.949,497 1.099,498 1.122,499 1.05,500 1.125,501 1.269,502 1.089,503 1.284,504 0.942,505 0.947,506 0.908,507 1.354,508 0.9,509 1.125,510 0.975,511 1.011,512 0.978,513 1.107,514 0.983,515 0.946,516 1.025,517 1.064,518 1.089,519 0.879,520 1.094,521 1.162,522 0.997,523 1.007,524 0.991,525 1.384,526 0.986,527 7.5,528 0.28,529 5.556,530 3.444,531 2.898,532 1.788,533 1.368,534 0.886,535 0.618,536 0.362,537 23741,538 49617,539 2.123,540 48,542 25,546 3,547 8,550 1.797,551 1.966,552 3.691,553 -0.84,559 104.579,560 1.394,561 3.469,562 4.841,563 5.395,564 5.485,565 5.538,566 3.121,567 4.939,568 5.257,569 3.847,570 2850.57,571 9.287,572 46251.7,577 467.161,578 1.465,579 5.209,580 0.17,581 0.006,582 0.085,583 0.047,584 0.041,585 0.026,586 0.02,587 0.014,588 0.011,589 0.008,590 0.429,591 0.33,592 0.75,593 0.686,594 215.409,595 0.035,596 -0.21,597 0.083,598 -0.07,599 -0.029,600 -0.004,601 -0.018,602 0.099,603 0.132,604 0.166,605 0.06,606 0.165,607 -0.04,608 0.121,609 -0.032,610 0.035,611 0.024,612 0.012,613 -0.036,614 -0.097,615 -0.075,616 -0.124,617 -0.016,618 -0.106,619 -0.036,620 0.031,621 0.062,622 0.074,623 -0.029,624 0.076,625 -0.007,626 0.035,627 -0.023,628 0.013,629 -0.021,630 -0.003,631 0.098,632 -0.042,633 -0.082,634 -0.089,635 0.097,636 -0.103,637 -0.064,638 -0.039,639 -0.004,640 -0.012,641 -0.053,642 -0.003,643 1.634,644 7.174,645 0.795,646 43.728,647 0.989,648 1.121,649 4.023,650 16.184,651 0.668,652 3.807,653 4.19,654 4.543,655 4.86,656 5.147,657 5.323,658 5.525,659 5.704,660 5.855,661 5.984,662 7.748,663 0.626,664 520.73,665 3.807,666 5.389,667 6.282,668 7.195,669 8.104,670 9.023,671 9.938,672 10.86,673 11.778,674 12.701,675 5.3,678 1,681 1,682 1,685 1,687 2,688 11,689 1,693 8,695 23,703 1,709 1,712 1,714 75,716 24,717 3,718 44,720 80,721 33,722 21,723 8,724 8,725 1,730 6,731 8,736 3,740 3,743 3,745 22,746 11,750 1,755 1,759 1,764 36,765 6,767 6,773 4,777 0.667,778 2,786 1,792 1,793 5,796 1,797 1,815 1,819 4,823 5,827 39,833 4,835 1,837 2,838 3,847 2.7,850 1,852 1,854 19.833,855 15.217,856 8.417,857 4.696,858 4.148,859 1.454,860 1.002,861 6.823,862 13.283,863 4.052,864 4.687,865 5.332,866 5.957,867 6.564,868 6.935,869 7.411,870 7.836,871 8.247,872 8.559,873 0.889,874 73,875 14.498,877 6.255,878 7.513,879 28.443,881 24.242,883 2.013,884 78.5,888 423.76,889 194.523,890 26.158,892 36.145,895 194.523,896 459.904,897 26.158,898 45.755,899 11.976,900 104.239,901 46.635,902 48.222,904 423.76,906 423.76,907 220.682,908 36.145,911 329.591,912 130.314,915 47.089,916 156.807,917 16.786,919 423.76,920 62.303,921 194.523,924 423.76,925 44.529,926 159.367,928 52.93,929 423.76,930 62.303,931 194.523,933 0.594,934 0.367,935 0.203,936 0.113,937 34,938 16,939 0.05,940 4,941 2,942 1.129,943 4.658,944 422.574,945 0.129,946 31,947 195.376,951 25.853,952 10.293,953 4.58,954 1.99,955 62.303,956 22.544,957 4.746,961 7.741,964 680.586,965 56.5,970 14.174,974 0.032,975 74.199,976 84.055,977 0.224,978 0.557,979 0.777,980 0.866,981 0.881,982 0.889,983 5.332,984 1.997,985 6.297,986 6.379,987 4.875,988 5.375,989 1.985,990 7.182,991 4.813,992 6.552,993 1.879,994 7.905,995 5.881,996 4.575,997 5.255,998 0.766,999 8.205,1000 4.475,1001 7.879,1002 1.709,1003 9.612,1004 5.225,1005 6.544,1006 7.605,1007 1.879,1008 11.355,1009 6.42,1010 9.242,1011 1.518,1012 11.376,1013 5.208,1014 7.057,1015 8.314,1016 0.931,1017 13.185,1018 6.897,1019 10.637,1020 1.448,1021 13.175,1022 4.236,1023 8.511,1024 10.162,1025 1.952,1026 15.859,1027 8.329,1028 12.056,1029 1.277,1030 14.999,1031 3.934,1032 9.383,1033 11.268,1034 1.142,1035 18.02,1036 9.171,1037 13.494,1038 1.164,1039 16.84,1040 2.876,1041 10.645,1042 12.912,1043 2.113,1044 20.53,1045 10.414,1046 3.305,1047 1.049,1048 18.695,1049 2.738,1050 11.678,1051 14.217,1052 1.436,1053 22.834,1054 11.421,1055 3.18,1056 11.691,1057 20.559,1058 2.532,1059 12.87,1060 15.774,1061 2.33,1062 25.285,1063 12.594,1064 3.014,1065 11.002,1066 22.431,1067 4.609,1068 13.974,1069 17.179,1070 1.783,1071 27.654,1072 13.677,1073 2.805,1074 10.181,1075 24.309,1076 4.149,1077 15.142,1078 18.702,1079 2.586,1080 30.087,1081 14.828,1082 2.65,1083 9.23,1084 26.193,1085 3.758,1086 16.279,1087 20.159,1088 2.156,1089 32.487,1090 15.946,1091 2.373,1092 8.845,1093 28.082,1094 3.426,1095 17.442,1096 21.67,1097 2.87,1098 34.916,1099 17.093,1100 2.126,1101 7.423,1102 29.974,1103 3.179,1104 18.594,1105 23.154,1106 2.541,1107 37.333,1108 18.229,1109 22039,1110 32078,1111 29.361,1112 50.114,1113 67.734,1114 69.11,1115 70.726,1116 67.375,1117 67.417,1118 85.874,1119 7.906,1120 205.309,1121 65.312,1122 5.682,1123 5.775,1124 6.619,1125 5.356,1126 5.305,1127 7.609,1128 2.293,1129 19.475,1130 5.259,1131 21.016,1132 1.539,1133 1.571,1134 1.607,1135 1.531,1136 1.532,1137 1.952,1138 0.18,1139 4.666,1140 1.484,1141 4.146,1142 4.168,1143 4.11,1144 4.095,1145 7.428,1146 4.095,1147 4.018,1148 4.051,1149 3.972,1150 3.929,1151 4.958,1152 3.936,1153 3.854,1154 3.912,1155 3.783,1156 3.747,1157 4.847,1158 3.75,1159 3.824,1160 3.869,1161 3.732,1162 3.671,1163 4.76,1164 3.677,1165 3.539,1166 3.574,1167 3.47,1168 3.417,1169 4.442,1170 3.418,1171 3.435,1172 3.484,1173 3.328,1174 3.292,1175 4.398,1176 3.298,1177 3.367,1178 3.452,1179 3.151,1180 3.217,1181 4.287,1182 3.19,1183 3.24,1184 3.311,1185 3.147,1186 3.12,1187 3.962,1188 3.118,1189 0.106,1190 0.086,1191 0.158,1192 0.097,1193 0.075,1194 4.682,1195 0.105,1196 3.775,1197 0.027,1198 6.94,1199 0.266,1200 4.288,1201 0.074,1202 3.305,1203 4.609,1204 1.2,1205 11.691,1206 3.259,1207 2.1,1208 2.085,1209 2.164,1210 2.154,1211 1.36,1212 2.157,1213 1.924,1214 1.894,1215 2.054,1216 2.077,1217 1.33,1218 2.074,1219 1.82,1220 1.784,1221 1.947,1222 1.939,1223 1.171,1224 1.943,1225 1.768,1226 1.713,1227 1.925,1228 1.914,1229 1.01,1230 1.918,1231 1.545,1232 1.502,1233 1.738,1234 1.739,1235 0.984,1236 1.74,1237 1.439,1238 1.384,1239 1.733,1240 1.606,1241 0.97,1242 1.655,1243 1.405,1244 1.325,1245 1.646,1246 1.578,1247 0.716,1248 1.603,1249 1.253,1250 1.205,1251 1.569,1252 1.518,1253 0.653,1254 1.534,1255 4.489,1257 5.855,1258 2.398,1259 7.426,1260 4.727,1261 9.09,1262 6.843,1263 10.804,1265 10.459,1271 3.314,1273 5.858,1275 0.856,1276 6.787,1280 46.944,1281 104.579,1282 260.203,1283 363.069,1284 404.632,1285 411.387,1286 415.387,1287 63.616,1288 9.136,1289 48.91,1290 48.91,1291 35,1292 13.209,1293 4.644,1294 3.755,1295 55.037,1296 182,1297 175,1298 0.148,1299 282.998,1300 491.6,1301 682.276,1302 136317,1304 27.258,1305 0.699,1306 0.601,1307 27.258,1308 23.439,1309 18.851,1310 0.428,1311 0.314,1312 13.651,1313 18.269,1314 13.123,1315 10.915,1316 18.851,1317 13.808,1318 17.422,1319 0.268,1320 0.169,1321 17.422,1322 10.999,1323 15.797,1324 0.17,1325 0.092,1326 15.797,1327 8.54,1328 13.495,1329 0.105,1330 0.048,1331 13.495,1332 6.174,1333 11.215,1334 0.066,1335 0.025,1336 11.215,1337 4.313,1338 0.23,1339 116.939,1340 0.185,1341 34.648,1342 0.41,1343 218,1344 524.052,1345 232.723,1346 513.776,1347 729.16,1348 486,1349 267,1350 558.802,1351 283.584,1352 572.695,1353 848.02,1354 539,1355 7} {0 CHEMBL195651,1 1.664,2 11.235,3 4.936,4 24.364,5 124.036,6 7.612,7 0.324,8 4.242,9 4.363,10 3.812,11 3.721,12 5.343,13 3.718,14 4.859,15 5.05,16 4.282,17 4.137,18 6.281,19 4.13,20 5.09,21 5.287,22 4.358,23 4.358,24 6.184,25 4.321,26 5.289,27 5.501,28 4.46,29 4.437,30 6.652,31 4.378,32 5.389,33 5.653,34 4.275,35 4.372,36 6.484,37 4.294,38 5.182,39 5.414,40 4.306,41 4.3,42 6.53,43 4.232,44 5.163,45 5.387,46 4.208,47 4.34,48 6.167,49 4.25,50 5.247,51 5.497,52 4.181,53 4.274,54 6.373,55 4.195,56 0.133,57 1.182,58 12.565,59 6.171,60 23.318,61 7.631,62 1.068,63 2.23,64 28.558,65 9.807,66 153.319,67 12.887,68 0.698,69 2.337,70 34.773,71 13.046,72 68.995,73 16.978,74 1.276,75 3.016,76 45.083,77 16.61,78 197.237,79 21.451,80 1.494,81 2.502,82 55.812,83 16.773,84 193.758,85 22.314,86 1.609,87 2.054,88 42.704,89 13.457,90 208.477,91 18.922,92 0.805,93 2.19,94 39.391,95 14.722,96 89.906,97 19.811,98 1.11,99 2.442,100 46.621,101 15.202,102 149.57,103 19.703,104 86,105 56,106 0.269,107 0.572,108 0.789,109 0.833,110 0.833,111 0.833,112 3.561,113 0.919,114 -5.25,115 -5.13,116 -4.8,119 39.7,120 2,121 2,124 2,125 3,127 2,131 1,140 5,141 3,142 4,156 1,169 7,171 1,172 9,178 8,181 2,182 8,189 5,192 1,193 9,199 5,202 1,203 5,211 6,214 2,215 6,222 9,225 2,226 5,233 7,237 4,244 6,248 1,249 6,256 3,259 1986,260 21.996,261 21.996,262 21.996,263 21.996,264 21.996,265 20.425,266 33.576,267 12.283,268 22.759,269 18.133,270 18.133,271 18.133,272 18.133,273 18.133,274 15.536,275 49.661,276 5.685,277 19.358,278 4.313,279 2.437,280 1.094,281 0.822,282 0.822,283 0.822,284 4.245,288 1,289 1,290 806,291 4.123,294 78.463,295 311.684,298 140.065,302 1.824,303 62.919,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 77.5,315 382,316 4.628,317 4.486,318 7.379,319 4.33,320 3.436,321 4.167,322 3.825,323 12.798,324 3.14,325 4.515,326 3.799,327 6.76,328 4.192,329 3.235,330 4.14,331 2.015,332 11.093,333 3.076,334 4.122,335 3.394,336 6.486,337 3.958,338 3.017,339 3.386,340 0.86,341 10.079,342 2.831,343 3.895,344 3.162,345 6.223,346 3.697,347 2.754,348 2.981,349 0.8,350 8.968,351 2.594,352 3.722,353 3.036,354 5.769,355 3.42,356 2.502,357 2.891,358 0.8,359 7.834,360 2.315,361 3.567,362 2.883,363 5.573,364 3.219,365 2.27,366 2.794,367 0.625,368 7.113,369 2.063,370 3.26,371 2.458,372 5.171,373 2.933,374 2.004,375 2.478,376 0.111,377 6.009,378 1.849,379 3.136,380 2.391,381 4.999,382 2.856,383 1.879,384 2.293,386 5.481,387 1.833,388 2.879,389 1.982,390 4.879,391 2.779,392 1.832,393 1.879,395 5.225,396 1.715,397 2.727,398 1.926,399 4.533,400 2.457,401 1.479,402 1.785,404 4.357,405 1.439,406 2.696,407 1.572,408 4.017,409 2.237,410 1.263,411 1.746,413 2.958,414 1.214,415 2.331,416 1.363,417 3.867,418 2.084,419 1.103,420 1.265,422 2.911,423 1.071,424 1.971,425 1.176,426 3.739,427 1.789,428 0.852,429 0.923,431 2.222,432 0.792,433 1.506,434 0.95,435 3.103,436 1.322,437 0.368,438 0.399,440 0.855,441 0.349,442 1.4,443 0.808,444 3.016,445 1.253,446 0.357,447 0.377,449 0.605,450 0.318,451 15.51,452 0.456,453 1.252,454 0.037,455 37.5,456 1.103,457 15,458 0.441,459 22.5,460 0.662,461 37.671,462 1.108,463 39.69,464 0.63,465 34.797,466 1.023,467 7.476,468 0.22,469 8.53,470 0.251,471 0.224,472 0.032,473 0.4,476 3,477 1,479 0.583,480 1.157,481 0.703,482 1.254,483 0.542,484 1.083,485 0.597,486 0.792,487 0.708,488 0.842,489 0.386,490 0.81,491 0.728,492 0.91,493 0.902,494 1.038,495 0.621,496 1.025,497 0.656,498 0.997,499 0.895,500 1.253,501 0.611,502 1.19,503 1.054,504 0.863,505 0.984,506 0.868,507 1.001,508 0.891,509 0.54,510 0.607,511 0.826,512 0.851,513 0.472,514 0.923,515 0.596,516 0.841,517 0.909,518 1.123,519 0.472,520 1.136,521 1.015,522 1.028,523 1.017,524 1.042,525 0.981,526 1.036,527 9,528 0.322,529 5.333,530 3.882,531 2.565,532 1.764,533 1.176,534 0.76,535 0.682,536 0.332,537 14958,538 46083,539 1.984,540 46,542 19,546 2,547 8,550 1.764,551 1.782,552 3.435,553 -0.729,559 104.836,560 1.664,561 3.54,562 4.884,563 5.155,564 5.155,565 5.155,566 2.882,567 4.617,568 5.063,569 3.664,570 2055.36,571 8.896,572 30612,577 376.569,578 1.714,579 4.969,580 0.243,581 0.011,582 0.095,583 0.064,584 0.042,585 0.034,586 0.022,587 0.015,588 0.015,589 0.01,590 0.55,591 0.33,592 0.88,593 0.898,594 179.959,595 -0.02,596 -0.159,597 0.048,598 -0.104,599 -0.051,600 -0.029,601 0.215,602 0.188,603 0.182,604 0.168,605 0.317,606 0.168,607 -0.057,608 -0.03,609 -0.047,610 -0.025,611 -0.017,612 -0.026,613 0.151,614 -0.072,615 0.015,616 -0.228,617 0.199,618 -0.177,619 -0.109,620 -0.014,621 0.017,622 0.072,623 -0.09,624 0.089,625 0.247,626 0.175,627 0.104,628 0.103,629 0.246,630 0.06,631 0.017,632 -0.095,633 -0.039,634 -0.118,635 0.029,636 -0.107,637 -0.102,638 -0.13,639 -0.041,640 -0.071,641 -0.069,642 -0.043,643 6.126,644 6.142,645 0.618,646 33.024,647 1.02,648 1.151,649 4.016,650 16.125,651 0.636,652 3.638,653 4.043,654 4.331,655 4.625,656 4.812,657 4.977,658 5.106,659 5.257,660 5.342,661 5.472,662 7.026,663 0.618,664 479.57,665 3.638,666 5.231,667 6.107,668 7.027,669 7.919,670 8.841,671 9.738,672 10.661,673 11.561,674 12.484,675 4.8,678 1,681 1,682 1,688 5,693 7,695 12,709 1,712 1,713 1,714 63,716 13,717 2,718 37,720 66,721 25,722 12,723 7,724 5,730 4,731 5,736 3,740 3,742 1,743 4,745 13,746 12,750 1,755 1,759 1,762 4,764 29,765 9,767 9,773 3,777 0.75,778 2,792 1,793 3,796 1,806 1,815 1,819 3,823 4,825 4,827 34,833 5,835 1,837 2,838 3,839 1,846 4,847 3.2,850 1,852 1,854 19.083,855 12.588,856 7.25,857 3.836,858 2.326,859 1.285,860 0.962,861 6.854,862 10.499,863 3.807,864 4.394,865 4.92,866 5.456,867 5.921,868 6.184,869 6.445,870 6.716,871 6.876,872 7.189,873 1,874 61,875 13.542,877 6.671,878 8.184,879 23.718,881 19.989,883 2.684,884 91.25,888 341.362,889 137.596,890 9.373,892 36.145,893 59.84,895 137.596,896 377.507,897 69.213,898 36.93,899 14.51,900 47.381,901 29.85,902 91.564,903 14.96,904 341.362,905 7.76,906 341.362,907 146.969,908 95.985,911 262.153,912 175.194,915 43.045,916 103.924,919 401.202,920 45.518,921 137.596,924 349.121,925 45.525,926 93.684,928 95.985,929 341.362,930 105.358,931 137.596,933 0.605,934 0.36,935 0.194,936 0.098,937 28,938 15,939 0.061,940 4,941 1,942 1.095,943 4.147,944 334.375,945 0.095,946 21,947 162.219,951 24.814,952 9.392,953 4.79,955 105.358,956 6.935,961 0.033,964 584.316,965 44,970 13.142,974 -0.494,975 64.265,976 72.501,977 0.278,978 0.592,979 0.817,980 0.863,981 0.863,982 0.863,983 5.124,984 1.879,985 6.168,986 6.009,987 4.727,988 5.081,989 3.461,990 7.077,991 4.607,992 6.354,993 1.832,994 7.803,995 5.481,996 4.635,997 5.085,998 4.001,999 8.281,1000 4.383,1001 7.694,1002 1.479,1003 9.541,1004 5.225,1005 6.463,1006 7.225,1007 5.523,1008 11.363,1009 6.212,1010 9.066,1011 1.263,1012 11.339,1013 4.357,1014 7.124,1015 7.975,1016 6.721,1017 13.345,1018 6.742,1019 10.468,1020 1.103,1021 13.175,1022 2.958,1023 8.515,1024 9.694,1025 8.083,1026 16.02,1027 8.116,1028 11.891,1029 0.852,1030 15.037,1031 2.911,1032 9.487,1033 10.78,1034 9.398,1035 18.317,1036 8.974,1037 13.331,1038 0.368,1039 16.919,1040 2.222,1041 10.738,1042 12.339,1043 10.741,1044 20.87,1045 10.183,1046 3.436,1047 0.357,1048 18.817,1049 0.855,1050 11.84,1051 13.589,1052 12.077,1053 23.297,1054 11.186,1055 3.235,1056 12.798,1057 20.727,1058 0.605,1059 13.047,1060 15.077,1061 13.418,1062 25.819,1063 12.335,1064 3.017,1065 11.093,1066 22.648,1067 4.167,1068 14.204,1069 16.41,1070 14.759,1071 28.302,1072 13.403,1073 2.754,1074 10.079,1075 24.579,1076 4.14,1077 15.402,1078 17.865,1079 16.1,1080 30.822,1081 14.531,1082 2.502,1083 8.968,1084 26.517,1085 3.386,1086 16.584,1087 19.24,1088 17.441,1089 33.331,1090 15.628,1091 2.27,1092 7.834,1093 28.462,1094 2.981,1095 17.783,1096 20.679,1097 18.783,1098 35.855,1099 16.751,1100 2.004,1101 7.113,1102 30.412,1103 2.891,1104 18.979,1105 22.077,1106 20.125,1107 38.378,1108 17.863,1109 14599,1110 26087,1111 23.293,1112 40.097,1113 57.227,1114 57.89,1115 60.242,1116 56.964,1117 56.703,1118 67.009,1119 18.072,1120 177.013,1121 53.199,1122 5.628,1123 6.486,1124 6.915,1125 5.398,1126 5.436,1127 7.167,1128 5.339,1129 20.432,1130 5.14,1131 23.321,1132 1.547,1133 1.565,1134 1.628,1135 1.54,1136 1.533,1137 1.811,1138 0.488,1139 4.784,1140 1.438,1141 4.068,1142 4.103,1143 4.021,1144 3.963,1145 8.513,1146 3.972,1147 3.949,1148 3.975,1149 3.919,1150 3.868,1151 8.2,1152 3.873,1153 3.843,1154 3.905,1155 3.74,1156 3.673,1157 7.999,1158 3.679,1159 3.536,1160 3.574,1161 3.471,1162 3.343,1163 7.999,1164 3.364,1165 3.367,1166 3.452,1167 3.327,1168 3.217,1169 7.427,1170 3.19,1171 3.331,1172 3.378,1173 3.205,1174 3.155,1175 4.854,1176 3.157,1177 3.311,1178 3.358,1179 3.151,1180 3.009,1181 4.586,1182 3.065,1183 3.224,1184 3.308,1185 3.039,1186 2.949,1187 4.441,1188 2.955,1189 0.125,1190 0.121,1191 0.199,1192 0.117,1193 0.093,1194 4.628,1195 0.113,1196 4.486,1197 0.103,1198 7.379,1199 0.346,1200 4.33,1201 0.085,1202 3.436,1203 4.167,1204 3.825,1205 12.798,1206 3.14,1207 1.937,1208 1.914,1209 2.055,1210 2.08,1211 1.36,1212 2.076,1213 1.914,1214 1.887,1215 2.011,1216 2.027,1217 1.195,1218 2.019,1219 1.768,1220 1.713,1221 1.925,1222 1.917,1223 1.171,1224 1.919,1225 1.533,1226 1.478,1227 1.741,1228 1.755,1229 0.989,1230 1.75,1231 1.405,1232 1.325,1233 1.733,1234 1.606,1235 0.97,1236 1.655,1237 1.3,1238 1.248,1239 1.577,1240 1.541,1241 0.694,1242 1.552,1243 1.184,1244 1.11,1245 1.549,1246 1.485,1247 0.636,1248 1.506,1249 1.152,1250 1.064,1251 1.501,1252 1.44,1253 0.574,1254 1.443,1255 4.317,1257 5.7,1258 2.398,1259 7.27,1260 4.727,1261 8.929,1262 6.843,1263 10.634,1265 7.994,1267 54.241,1271 1.954,1273 5.653,1275 0.626,1276 6.041,1277 -4.876,1280 38.929,1281 104.836,1282 223.046,1283 307.675,1284 324.794,1285 324.794,1286 324.794,1287 100.296,1288 8.173,1289 36.02,1290 36.02,1291 23,1292 12.995,1293 3.807,1294 3,1295 56.722,1296 144,1297 130,1298 0.194,1299 233.682,1300 426.2,1301 561.944,1302 41486,1303 6.3,1304 24.784,1305 0.729,1306 0.581,1307 21.413,1308 19.747,1309 16.006,1310 0.433,1311 0.306,1312 11.093,1313 15.078,1314 10.756,1315 8.856,1316 14.384,1317 11.336,1318 15.787,1319 0.282,1320 0.164,1321 13.249,1322 9.165,1323 12.816,1324 0.171,1325 0.093,1326 11.75,1327 7.002,1328 11.062,1329 0.11,1330 0.049,1331 9.454,1332 4.966,1333 8.149,1334 0.067,1335 0.027,1336 7.57,1337 3.262,1338 0.301,1339 102.581,1340 0.207,1341 30.906,1342 0.542,1343 186,1344 760.851,1345 219.518,1346 618.727,1347 804.97,1348 574,1349 224,1350 561.318,1351 252.055,1352 542.763,1353 819.65,1354 507,1355 6.7} {0 CHEMBL195897,1 1.406,2 12.579,3 5.205,4 27.09,5 151.651,6 7.037,7 0.535,8 4.366,9 4.488,10 3.903,11 3.94,12 5.387,13 3.904,14 4.935,15 5.117,16 4.296,17 4.36,18 5.888,19 4.31,20 5.201,21 5.407,22 4.415,23 4.555,24 6.148,25 4.481,26 5.311,27 5.527,28 4.444,29 4.615,30 6.271,31 4.527,32 5.355,33 5.563,34 4.447,35 4.64,36 6.331,37 4.546,38 5.391,39 5.621,40 4.417,41 4.654,42 6.305,43 4.543,44 5.403,45 5.64,46 4.323,47 4.63,48 6.301,49 4.494,50 5.35,51 5.614,52 4.185,53 4.507,54 6.208,55 4.364,56 0.052,57 1.031,58 15.621,59 6.769,60 11.669,61 9.175,62 0.271,63 1.754,64 29.827,65 11.248,66 26.906,67 15.718,68 0.4,69 2.249,70 39.795,71 14.611,72 37.817,73 20.615,74 0.367,75 2.388,76 45.078,77 17.363,78 51.149,79 24.007,80 0.463,81 2.45,82 47.378,83 18.145,84 63.323,85 24.742,86 0.518,87 2.544,88 49.628,89 18.847,90 59.805,91 26.328,92 0.607,93 2.536,94 50.56,95 19.662,96 68.454,97 27.439,98 0.399,99 2.372,100 48.821,101 18.218,102 61.195,103 25.938,104 27,105 63,106 0.217,107 0.547,108 0.739,109 0.828,110 0.842,111 0.851,112 3.668,113 0.936,114 -5.07,115 -4.97,116 -4.65,119 44.4,120 3,121 1,124 1,125 3,127 2,140 11,141 5,142 3,144 2,156 1,169 15,171 1,172 11,176 2,178 19,181 1,182 13,184 1,189 18,192 1,193 14,199 18,202 1,203 11,208 1,211 21,214 1,215 6,218 1,220 1,222 23,225 3,226 7,229 1,231 1,233 21,237 7,242 1,244 10,249 15,252 1,254 1,256 6,259 2646,260 25.903,261 25.903,262 25.903,263 25.903,264 25.903,265 23.168,266 29.739,267 14.925,268 26.386,269 21.184,270 21.184,271 21.184,272 21.184,273 21.184,274 16.856,275 45.789,276 7.006,277 21.873,278 4.764,279 2.625,280 1.38,281 0.802,282 0.709,283 0.653,284 4.383,289 1,290 1060,291 3.317,294 80.604,295 501.234,298 145.707,299 157.922,302 2,303 27.239,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 80,315 478,316 4.682,317 3.775,318 6.94,319 4.287,320 3.304,321 4.609,322 1.2,323 11.691,324 3.259,325 4.506,326 3.359,327 6.73,328 4.145,329 3.171,330 4.149,331 0.86,332 10.994,333 3.08,334 4.193,335 3.156,336 6.484,337 3.896,338 2.943,339 3.758,340 0.8,341 10.104,342 2.809,343 4.029,344 2.99,345 6.198,346 3.699,347 2.723,348 3.424,349 0.4,350 9.103,351 2.645,352 3.788,353 2.753,354 5.702,355 3.492,356 2.536,357 3.172,358 0.293,359 7.599,360 2.427,361 3.6,362 2.665,363 5.496,364 3.328,365 2.346,366 2.875,368 7.133,369 2.291,370 3.486,371 2.321,372 5.208,373 3.095,374 2.109,375 2.68,377 6.206,378 2.078,379 3.211,380 2.279,381 4.995,382 2.887,383 1.939,384 2.399,386 5.683,387 1.838,388 3.019,389 1.982,390 4.864,391 2.856,392 1.879,393 2.202,395 5.071,396 1.833,397 2.978,398 1.931,399 4.618,400 2.64,401 1.685,402 2.151,404 4.963,405 1.598,406 2.879,407 1.81,408 4.476,409 2.509,410 1.517,411 1.895,413 4.131,414 1.504,415 2.767,416 1.561,417 4.309,418 2.383,419 1.408,420 1.879,422 3.906,423 1.367,424 2.644,425 1.535,426 3.89,427 2.274,428 1.276,429 1.71,431 2.876,432 1.273,433 2.621,434 1.277,435 3.677,436 2.146,437 1.164,438 1.632,440 2.738,441 1.141,442 2.387,443 1.17,444 3.595,445 2.042,446 1.049,447 1.343,449 2.531,450 1.035,451 18.267,452 0.481,453 1.007,454 0.026,455 49.75,456 1.309,457 25,458 0.658,459 24.75,460 0.651,461 38.29,462 1.008,463 39.933,464 0.555,465 41.642,466 1.096,467 9.527,468 0.251,469 8.896,470 0.234,471 0.128,473 0.4,479 0.799,480 1.298,481 0.823,482 1.076,483 0.649,484 0.969,485 1.063,486 1.083,487 0.852,488 0.874,489 0.635,490 0.839,491 1.079,492 0.977,493 0.996,494 0.93,495 0.861,496 0.935,497 1.139,498 1.003,499 0.958,500 0.994,501 1.273,502 0.961,503 1.385,504 1.086,505 1.066,506 1.056,507 1.498,508 1.04,509 1.105,510 0.973,511 1.015,512 0.983,513 1.081,514 0.989,515 0.951,516 0.997,517 1.065,518 1.064,519 0.875,520 1.08,521 1.019,522 0.988,523 0.984,524 0.995,525 1.352,526 0.986,527 7.5,528 0.255,529 4.667,530 3.382,531 2.707,532 1.677,533 1.248,534 0.815,535 0.532,536 0.306,537 22250,538 47374,539 2.143,540 47.2,542 22,545 1,546 3,547 8,550 1.791,551 2,552 3.639,553 -0.453,559 101.261,560 1.406,561 3.545,562 4.79,563 5.368,564 5.461,565 5.517,566 3.072,567 4.88,568 5.22,569 3.81,570 2678.21,571 9.214,572 42649.5,577 444.235,578 1.425,579 5.178,580 0.174,581 0.006,582 0.074,583 0.049,584 0.039,585 0.024,586 0.019,587 0.014,588 0.01,589 0.007,590 0.416,591 0.33,592 0.75,593 0.661,594 208.095,595 0.011,596 -0.15,597 0.075,598 -0.039,599 -0.039,600 0.013,601 -0.003,602 0.029,603 0.108,604 0.11,605 0.06,606 0.118,607 -0.039,608 0.122,609 -0.025,610 0.038,611 -0.002,612 0.018,613 -0.032,614 0.017,615 0.022,616 -0.002,617 0.013,618 0.015,619 -0.08,620 -0.083,621 -0.074,622 -0.062,623 -0.087,624 -0.069,625 -0.009,626 0.027,627 -0.028,628 0.005,629 -0.018,630 -0.01,631 0.086,632 -0.025,633 -0.08,634 -0.068,635 0.09,636 -0.091,637 -0.036,638 -0.032,639 0.014,640 -0.015,641 -0.041,642 0.003,643 1.637,644 7.127,645 0.816,646 42.086,647 0.99,648 1.12,649 3.837,650 14.726,651 0.672,652 3.784,653 4.159,654 4.5,655 4.844,656 5.124,657 5.293,658 5.493,659 5.677,660 5.82,661 5.943,662 7.583,663 0.631,664 506.7,665 3.784,666 5.361,667 6.248,668 7.162,669 8.066,670 8.985,671 9.897,672 10.819,673 11.734,674 12.658,675 5.6,677 1,681 1,682 1,685 1,687 2,688 11,689 1,693 8,695 23,703 1,709 1,712 1,714 72,716 24,717 3,718 43,720 77,721 32,722 21,723 8,724 8,725 1,730 6,731 8,736 3,740 3,743 3,745 22,746 10,750 1,755 1,759 1,764 34,765 6,766 1,767 6,773 4,777 0.667,778 2,786 1,792 1,793 5,796 1,797 1,814 1,819 4,823 4,827 38,833 4,834 1,835 1,837 2,838 2,847 2.8,850 1,852 1,854 19,855 14.267,856 8.194,857 4.529,858 4.146,859 1.458,860 1.011,861 6.588,862 13.207,863 4.034,864 4.668,865 5.312,866 5.952,867 6.559,868 6.927,869 7.402,870 7.827,871 8.236,872 8.546,873 1,874 69,875 14.126,877 6.117,878 7.526,879 27.662,881 23.613,883 2.026,884 77,888 388.446,889 186.127,890 41.045,892 36.145,895 186.127,896 424.591,897 41.045,898 37.359,899 11.976,900 122.249,901 46.635,902 45.097,904 388.446,906 388.446,907 227.172,908 36.145,911 294.278,912 130.314,915 61.976,916 148.41,917 16.786,919 388.446,920 77.19,921 186.127,924 388.446,925 44.529,926 147.846,927 18.011,928 52.93,929 388.446,930 77.19,931 186.127,933 0.589,934 0.356,935 0.208,936 0.116,937 33,938 15,939 0.052,940 4,941 2,942 1.129,943 4.617,944 407.462,945 0.129,946 31,947 191.421,951 24.907,952 10.051,953 4.582,954 1.986,955 77.19,956 22.494,957 4.74,961 7.709,963 18.011,964 651.763,965 55.5,970 14.127,974 0.03,975 71.316,976 80.64,977 0.228,978 0.575,979 0.776,980 0.87,981 0.885,982 0.894,983 5.307,984 1.939,985 6.256,986 6.206,987 4.844,988 5.357,989 1.893,990 7.13,991 4.786,992 6.524,993 1.879,994 7.851,995 5.683,996 4.511,997 5.223,998 0.57,999 8.131,1000 4.424,1001 7.848,1002 1.685,1003 9.546,1004 5.071,1005 6.497,1006 7.589,1007 1.815,1008 11.285,1009 6.383,1010 9.207,1011 1.517,1012 11.299,1013 4.963,1014 6.976,1015 8.291,1016 0.801,1017 13.112,1018 6.836,1019 10.6,1020 1.408,1021 13.091,1022 4.131,1023 8.445,1024 10.15,1025 1.914,1026 15.79,1027 8.282,1028 12.018,1029 1.276,1030 14.909,1031 3.906,1032 9.297,1033 11.255,1034 1.074,1035 17.958,1036 9.111,1037 13.455,1038 1.164,1039 16.746,1040 2.876,1041 10.567,1042 12.904,1043 2.092,1044 20.471,1045 10.361,1046 3.304,1047 1.049,1048 18.598,1049 2.738,1050 11.59,1051 14.21,1052 1.404,1053 22.784,1054 11.364,1055 3.171,1056 11.691,1057 20.462,1058 2.531,1059 12.786,1060 15.77,1061 2.32,1062 25.239,1063 12.542,1064 2.943,1065 10.994,1066 22.335,1067 4.609,1068 13.886,1069 17.176,1070 1.768,1071 27.615,1072 13.625,1073 2.723,1074 10.104,1075 24.215,1076 4.149,1077 15.057,1078 18.7,1079 2.581,1080 30.051,1081 14.779,1082 2.536,1083 9.103,1084 26.101,1085 3.758,1086 16.193,1087 20.157,1088 2.15,1089 32.456,1090 15.9,1091 2.346,1092 7.599,1093 27.992,1094 3.424,1095 17.359,1096 21.669,1097 2.867,1098 34.889,1099 17.05,1100 2.109,1101 7.133,1102 29.887,1103 3.172,1104 18.513,1105 23.153,1106 2.538,1107 37.309,1108 18.189,1109 20577,1110 30218,1111 28.956,1112 48.353,1113 66.274,1114 67.405,1115 68.587,1116 65.617,1117 65.649,1118 84.107,1119 7.106,1120 197.975,1121 63.727,1122 5.682,1123 5.775,1124 6.619,1125 5.355,1126 5.304,1127 7.609,1128 2.293,1129 19.474,1130 5.259,1131 18.835,1132 1.541,1133 1.568,1134 1.595,1135 1.526,1136 1.527,1137 1.956,1138 0.165,1139 4.604,1140 1.482,1141 4.145,1142 4.167,1143 4.109,1144 4.094,1145 7.428,1146 4.095,1147 4.016,1148 4.048,1149 3.97,1150 3.928,1151 4.958,1152 3.934,1153 3.845,1154 3.897,1155 3.781,1156 3.747,1157 4.848,1158 3.749,1159 3.811,1160 3.865,1161 3.706,1162 3.647,1163 4.76,1164 3.652,1165 3.534,1166 3.568,1167 3.464,1168 3.416,1169 4.456,1170 3.416,1171 3.431,1172 3.479,1173 3.323,1174 3.286,1175 4.405,1176 3.292,1177 3.367,1178 3.452,1179 3.151,1180 3.217,1181 4.288,1182 3.19,1183 3.238,1184 3.286,1185 3.143,1186 3.118,1187 3.939,1188 3.116,1189 0.109,1190 0.088,1191 0.161,1192 0.1,1193 0.077,1194 4.682,1195 0.107,1196 3.775,1197 0.028,1198 6.94,1199 0.272,1200 4.287,1201 0.076,1202 3.304,1203 4.609,1204 1.2,1205 11.691,1206 3.259,1207 2.1,1208 2.085,1209 2.164,1210 2.154,1211 1.334,1212 2.157,1213 1.92,1214 1.892,1215 2.046,1216 2.068,1217 1.328,1218 2.065,1219 1.82,1220 1.784,1221 1.947,1222 1.938,1223 1.166,1224 1.943,1225 1.748,1226 1.69,1227 1.917,1228 1.902,1229 1.009,1230 1.908,1231 1.545,1232 1.502,1233 1.737,1234 1.739,1235 0.981,1236 1.74,1237 1.438,1238 1.383,1239 1.733,1240 1.606,1241 0.97,1242 1.655,1243 1.405,1244 1.325,1245 1.646,1246 1.576,1247 0.715,1248 1.602,1249 1.248,1250 1.201,1251 1.568,1252 1.517,1253 0.612,1254 1.533,1255 4.466,1257 5.826,1258 2.398,1259 7.388,1260 4.727,1261 9.046,1262 6.843,1263 10.754,1265 8.146,1271 3.263,1272 3.602,1273 5.824,1275 0.754,1276 4.324,1280 45.417,1281 101.261,1282 255.265,1283 344.897,1284 386.46,1285 393.215,1286 397.215,1287 60.932,1288 9.061,1289 57.7,1290 57.7,1291 35,1292 13.166,1293 4.644,1294 3.755,1295 52.945,1296 174,1297 166,1298 0.149,1299 273.406,1300 474.3,1301 658.87,1302 124758,1304 26.388,1305 0.694,1306 0.592,1307 26.388,1308 22.492,1309 18.423,1310 0.428,1311 0.312,1312 13.278,1313 17.88,1314 12.814,1315 10.648,1316 18.423,1317 13.422,1318 17.054,1319 0.271,1320 0.168,1321 17.054,1322 10.604,1323 14.868,1324 0.167,1325 0.087,1326 14.868,1327 7.738,1328 13.463,1329 0.107,1330 0.048,1331 13.463,1332 6.096,1333 11.041,1334 0.066,1335 0.025,1336 11.041,1337 4.167,1338 0.232,1339 114.16,1340 0.186,1341 33.919,1342 0.415,1343 212,1344 512.739,1345 226.363,1346 503.14,1347 714.08,1348 476,1349 258,1350 547.027,1351 273.751,1352 559.619,1353 829.37,1354 528,1355 6.9} {0 CHEMBL195898,1 1.612,2 10.968,3 4.658,4 21.698,5 122.868,6 7.433,7 0.353,8 4.181,9 4.304,10 3.749,11 3.703,12 5.214,13 3.672,14 4.777,15 4.973,16 4.159,17 4.124,18 5.739,19 4.08,20 5.043,21 5.242,22 4.335,23 4.337,24 6.102,25 4.268,26 5.198,27 5.422,28 4.233,29 4.396,30 6.183,31 4.284,32 5.271,33 5.536,34 4.159,35 4.341,36 6.253,37 4.213,38 5.097,39 5.335,40 4.196,41 4.276,42 6.068,43 4.181,44 5.122,45 5.354,46 4.132,47 4.305,48 6.079,49 4.188,50 5.135,51 5.393,52 4.027,53 4.242,54 6.066,55 4.096,56 0.014,57 0.92,58 12.764,59 5.73,60 7.284,61 7.631,62 0.297,63 1.519,64 26.736,65 9.294,66 23.579,67 12.919,68 0.525,69 1.916,70 37.575,71 12.607,72 52.578,73 17.005,74 0.421,75 2.116,76 43.116,77 15.683,78 62.746,79 21.074,80 0.855,81 1.999,82 50.991,83 16.036,84 108.15,85 22.559,86 0.605,87 1.823,88 39.948,89 13.337,90 58.998,91 18.706,92 0.545,93 1.948,94 39.883,95 14.372,96 59.956,97 19.428,98 0.558,99 1.82,100 44.713,101 14.49,102 74.219,103 19.721,104 51,105 50,106 0.263,107 0.567,108 0.789,109 0.836,110 0.836,111 0.836,112 3.472,113 0.978,114 -4.94,115 -4.85,116 -4.55,119 40,120 2,121 2,124 2,125 3,127 2,140 5,141 2,142 5,156 1,169 6,171 1,172 9,178 6,181 2,182 8,189 6,192 1,193 7,199 7,202 1,203 5,211 6,214 2,215 8,222 6,225 2,226 5,233 6,237 3,244 9,248 1,249 5,256 4,259 1587,260 20.524,261 20.524,262 20.524,263 20.524,264 20.524,265 18.862,266 31.246,267 11.554,268 21.14,269 16.618,270 16.618,271 16.618,272 16.618,273 16.618,274 13.98,275 46.67,276 5.337,277 17.612,278 4.295,279 2.434,280 1.069,281 0.784,282 0.784,283 0.784,284 4.161,285 1,288 1,289 1,290 725,291 3.317,294 71.418,295 279.939,298 126.656,302 1.715,303 35.693,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 67.333,315 340,316 4.52,317 3.808,318 6.761,319 4.199,320 3.239,321 4.15,322 2.015,323 11.099,324 3.111,325 4.329,326 3.415,327 6.49,328 3.976,329 3.033,330 3.985,331 0.86,332 10.095,333 2.858,334 4.111,335 3.367,336 6.341,337 3.882,338 2.941,339 3.383,340 0.8,341 9.439,342 2.762,343 3.885,344 3.15,345 6.22,346 3.674,347 2.735,348 2.966,349 0.8,350 8.954,351 2.558,352 3.6,353 2.89,354 5.627,355 3.283,356 2.306,357 2.825,358 0.625,359 7.277,360 2.236,361 3.26,362 2.465,363 5.177,364 2.925,365 2.007,366 2.478,367 0.111,368 6.042,369 1.833,370 3.137,371 2.427,372 5.006,373 2.856,374 1.879,375 2.294,377 5.495,378 1.823,379 2.879,380 1.982,381 4.879,382 2.758,383 1.833,384 2.029,386 5.225,387 1.637,388 2.866,389 1.934,390 4.533,391 2.455,392 1.48,393 1.879,395 4.359,396 1.435,397 2.723,398 1.835,399 4.018,400 2.384,401 1.414,402 1.751,404 3.193,405 1.358,406 2.337,407 1.572,408 3.848,409 2.099,410 1.125,411 1.276,413 2.952,414 1.082,415 1.972,416 1.226,417 3.739,418 1.791,419 0.855,420 0.924,422 2.224,423 0.794,424 1.548,425 1.176,426 3.076,427 1.329,428 0.403,429 0.445,431 0.899,432 0.356,433 1.484,434 0.813,435 2.919,436 1.27,437 0.368,438 0.378,440 0.728,441 0.332,442 1.399,443 0.563,444 2.742,445 1.133,446 0.251,447 0.29,449 0.488,450 0.199,451 14.867,452 0.48,453 0.963,454 0.031,455 35.5,456 1.145,457 15,458 0.484,459 20.5,460 0.661,461 33.549,462 1.082,463 34.933,464 0.582,465 28.159,466 0.908,467 6.869,468 0.222,469 7.926,470 0.256,471 0.224,473 0.417,477 1,479 0.652,480 1.367,481 0.678,482 1.159,483 0.524,484 1.046,485 0.884,486 1.014,487 0.704,488 0.799,489 0.556,490 0.791,491 0.927,492 1.049,493 0.912,494 1.007,495 0.791,496 1.004,497 0.983,498 1.144,499 0.927,500 1.151,501 1.046,502 1.148,503 0.869,504 0.781,505 0.849,506 0.871,507 0.783,508 0.886,509 0.757,510 0.885,511 0.714,512 0.918,513 0.649,514 0.918,515 0.951,516 1.058,517 0.861,518 1.032,519 0.83,520 1.075,521 1.1,522 0.962,523 1.015,524 0.967,525 1.09,526 1.011,527 7,528 0.186,529 4.889,530 2.757,531 2.347,532 1.354,533 1.053,534 0.623,535 0.514,536 0.273,537 11985,538 31740,539 2.027,540 48.3,542 19,546 2,547 8,550 1.74,551 1.842,552 3.432,553 -0.767,559 96.738,560 1.612,561 3.473,562 4.838,563 5.123,564 5.123,565 5.123,566 2.882,567 4.632,568 4.927,569 3.601,570 1674.25,571 8.625,572 23287.8,574 1,577 354.413,578 1.541,579 4.855,580 0.206,581 0.008,582 0.098,583 0.05,584 0.048,585 0.029,586 0.022,587 0.014,588 0.014,589 0.01,590 0.499,591 0.33,592 1,593 0.804,594 159.366,595 -0.005,596 -0.234,597 0.045,598 -0.104,599 -0.017,600 -0.029,601 -0.044,602 0.032,603 0.108,604 0.16,605 0.028,606 0.169,607 0.002,608 0.024,609 -0.02,610 -0.032,611 0.061,612 -0.041,613 -0.067,614 -0.116,615 -0.092,616 -0.168,617 -0.056,618 -0.164,619 0.07,620 0.054,621 0.053,622 0.067,623 0.097,624 0.083,625 0.087,626 0.009,627 0.093,628 0.026,629 0.072,630 0.052,631 -0.02,632 -0.063,633 -0.053,634 -0.065,635 0.003,636 -0.099,637 -0.119,638 -0.031,639 -0.05,641 -0.08,642 -0.032,643 2.187,644 6.326,645 0.677,646 29.89,647 1.003,648 1.134,649 3.713,650 13.784,651 0.656,652 3.555,653 3.932,654 4.248,655 4.5,656 4.736,657 4.89,658 5.03,659 5.176,660 5.268,661 5.366,662 6.657,663 0.618,664 446.01,665 3.555,666 5.13,667 6.009,668 6.909,669 7.803,670 8.708,671 9.608,672 10.516,673 11.419,674 12.328,675 5,678 1,681 1,682 1,688 5,693 7,695 12,709 1,712 1,713 2,714 60,716 13,717 2,718 34,720 63,721 24,722 12,723 7,724 5,730 4,731 5,732 1,736 2,740 3,743 4,745 13,746 11,750 1,755 1,759 1,761 1,762 1,764 29,765 6,767 7,768 1,773 3,777 0.75,778 2,792 1,793 3,796 1,806 1,815 1,819 3,823 4,824 1,825 1,827 31,833 5,835 1,837 2,838 3,846 2,847 3.3,850 1,852 1,854 16.833,855 12.052,856 6.75,857 3.702,858 2.209,859 1.278,860 0.963,861 6.475,862 10.163,863 3.738,864 4.317,865 4.852,866 5.355,867 5.852,868 6.089,869 6.354,870 6.636,871 6.818,872 7.087,873 1,874 55,875 11.585,877 5.016,878 7.762,879 22.256,881 18.73,883 2.262,884 70.111,887 1,888 341.362,889 130.152,890 9.373,891 39.149,892 36.145,893 14.96,895 130.152,896 416.655,897 24.333,898 36.93,899 14.51,900 47.381,901 29.85,902 46.998,903 14.96,904 341.362,905 39.149,906 341.362,907 139.525,908 51.105,909 39.149,911 262.153,912 130.314,915 35.285,916 104.239,917 39.149,919 356.322,920 45.518,921 169.3,924 341.362,925 45.841,926 93.684,928 90.254,929 341.362,930 60.478,931 169.3,933 0.598,934 0.369,935 0.188,936 0.1,937 25,938 13,939 0.063,940 4,941 1,942 1.095,943 4.017,944 292.003,945 0.095,946 21,947 147.58,951 22.378,952 8.969,953 4.28,955 60.478,956 8.892,961 3.643,964 571.14,965 41,970 13.095,974 -0.129,975 60.167,976 68.01,977 0.273,978 0.588,979 0.819,980 0.867,981 0.867,982 0.867,983 5.03,984 1.833,985 6.033,986 5.495,987 4.615,988 5.004,989 2.486,990 6.901,991 4.507,992 6.237,993 1.48,994 7.641,995 5.225,996 4.369,997 4.924,998 1.803,999 7.897,1000 4.184,1001 7.558,1002 1.414,1003 9.344,1004 4.359,1005 6.279,1006 7.134,1007 3.235,1008 11.011,1009 6.072,1010 8.91,1011 1.125,1012 11.1,1013 3.193,1014 6.815,1015 7.828,1016 3.278,1017 12.781,1018 6.526,1019 10.292,1020 0.855,1021 12.887,1022 2.952,1023 8.231,1024 9.58,1025 4.402,1026 15.423,1027 7.923,1028 11.694,1029 0.403,1030 14.697,1031 2.224,1032 9.104,1033 10.623,1034 4.767,1035 17.518,1036 8.723,1037 13.112,1038 0.368,1039 16.521,1040 0.899,1041 10.341,1042 12.195,1043 5.707,1044 19.988,1045 9.933,1046 3.239,1047 0.251,1048 18.357,1049 0.728,1050 11.362,1051 13.409,1052 6.226,1053 22.23,1054 10.891,1055 3.033,1056 11.099,1057 20.201,1058 0.488,1059 12.533,1060 14.899,1061 7.061,1062 24.635,1063 12.028,1064 2.941,1065 10.095,1066 22.053,1067 4.15,1068 13.618,1069 16.202,1070 7.661,1071 26.946,1072 13.061,1073 2.735,1074 9.439,1075 23.91,1076 3.985,1077 14.767,1078 17.651,1079 8.437,1080 29.329,1081 14.171,1082 2.306,1083 8.954,1084 25.772,1085 3.383,1086 15.882,1087 19.001,1088 9.08,1089 31.674,1090 15.24,1091 2.007,1092 7.277,1093 27.638,1094 2.966,1095 17.025,1096 20.43,1097 9.824,1098 34.052,1099 16.343,1100 1.879,1101 6.042,1102 29.507,1103 2.825,1104 18.156,1105 21.807,1106 10.492,1107 36.416,1108 17.431,1109 11599,1110 19139,1111 21.907,1112 39.381,1113 51.927,1114 54.079,1115 54.963,1116 51.793,1117 51.737,1118 62.104,1119 10.421,1120 156.94,1121 48.749,1122 5.52,1123 5.808,1124 6.298,1125 5.267,1126 5.239,1127 7.15,1128 3.529,1129 18.302,1130 5.111,1131 19.371,1132 1.527,1133 1.591,1134 1.617,1135 1.523,1136 1.522,1137 1.827,1138 0.307,1139 4.616,1140 1.434,1141 4.063,1142 4.099,1143 4.05,1144 3.96,1145 8.201,1146 3.968,1147 3.92,1148 3.946,1149 3.976,1150 3.855,1151 7.427,1152 3.853,1153 3.841,1154 3.901,1155 3.741,1156 3.673,1157 4.871,1158 3.679,1159 3.531,1160 3.57,1161 3.513,1162 3.345,1163 4.842,1164 3.364,1165 3.367,1166 3.452,1167 3.327,1168 3.217,1169 4.443,1170 3.19,1171 3.321,1172 3.367,1173 3.151,1174 3.163,1175 4.398,1176 3.16,1177 3.224,1178 3.308,1179 3.129,1180 2.95,1181 4.313,1182 2.956,1183 3.09,1184 3.195,1185 3.036,1186 2.861,1187 3.962,1188 2.842,1189 0.133,1190 0.112,1191 0.199,1192 0.124,1193 0.095,1194 4.52,1195 0.122,1196 3.808,1197 0.059,1198 6.761,1199 0.326,1200 4.199,1201 0.091,1202 3.239,1203 4.15,1204 2.015,1205 11.099,1206 3.111,1207 1.93,1208 1.904,1209 2.055,1210 2.079,1211 1.36,1212 2.075,1213 1.898,1214 1.876,1215 1.988,1216 1.995,1217 1.171,1218 1.997,1219 1.768,1220 1.713,1221 1.924,1222 1.914,1223 1.163,1224 1.918,1225 1.531,1226 1.477,1227 1.739,1228 1.746,1229 0.985,1230 1.746,1231 1.405,1232 1.325,1233 1.733,1234 1.606,1235 0.97,1236 1.655,1237 1.3,1238 1.25,1239 1.576,1240 1.539,1241 0.695,1242 1.551,1243 1.184,1244 1.109,1245 1.549,1246 1.483,1247 0.637,1248 1.505,1249 1.151,1250 1.052,1251 1.499,1252 1.402,1253 0.575,1254 1.442,1255 4.234,1257 5.595,1258 2.398,1259 7.151,1260 4.727,1261 8.796,1262 6.843,1263 10.486,1265 8.283,1266 5.889,1267 14.326,1271 3.092,1273 5.718,1275 0.815,1276 6.485,1280 37.08,1281 96.738,1282 208.4,1283 290.274,1284 307.394,1285 307.394,1286 307.394,1287 69.194,1288 7.954,1289 36.02,1290 36.02,1291 23,1292 12.845,1293 3.807,1294 3,1295 49.264,1296 123,1297 114,1298 0.196,1299 228.828,1300 405.9,1301 550.1,1302 31289,1303 3.3,1304 22.284,1305 0.719,1306 0.621,1307 21.913,1308 19.247,1309 14.795,1310 0.435,1311 0.326,1312 10.571,1313 13.884,1314 10.149,1315 8.398,1316 14.656,1317 11.086,1318 13.754,1319 0.275,1320 0.18,1321 13.773,1322 9.014,1323 12.337,1324 0.179,1325 0.101,1326 11.799,1327 6.942,1328 9.736,1329 0.109,1330 0.054,1331 9.802,1332 4.812,1333 7.67,1334 0.068,1335 0.028,1336 7.595,1337 3.197,1338 0.304,1339 96.238,1340 0.214,1341 28.717,1342 0.551,1343 168,1344 510.721,1345 200.02,1346 492.483,1347 656.41,1348 460,1349 203,1350 454.181,1351 234.007,1352 464.921,1353 685.34,1354 435,1355 7} {0 CHEMBL195927,1 1.471,2 13.281,3 3.336,4 11.127,5 128.769,6 6.646,7 0.343,8 4.271,9 4.402,10 3.746,11 3.736,12 5.257,13 3.709,14 4.859,15 5.065,16 4.076,17 4.137,18 5.755,19 4.087,20 5.113,21 5.333,22 4.193,23 4.35,24 5.994,25 4.262,26 5.24,27 5.479,28 4.153,29 4.394,30 6.119,31 4.275,32 5.282,33 5.539,34 4.092,35 4.374,36 6.149,37 4.246,38 5.189,39 5.438,40 3.973,41 4.325,42 6.003,43 4.173,44 5.173,45 5.464,46 3.882,47 4.212,48 5.977,49 4.045,50 5.046,51 5.33,52 3.834,53 4.024,54 5.968,55 3.906,56 0.038,57 0.96,58 15.746,59 5.974,60 10.304,61 8.617,62 0.371,63 1.539,64 29.988,65 9.269,66 29.815,67 14.082,68 0.464,69 1.909,70 38.494,71 12.882,72 34.804,73 19.167,74 0.405,75 2.022,76 43.885,77 15.091,78 48.064,79 22.143,80 0.714,81 2.003,82 46.728,83 14.998,84 65.137,85 22.156,86 0.484,87 1.879,88 41.717,89 14.694,90 44.452,91 21.578,92 0.446,93 1.771,94 41.306,95 13.844,96 50.318,97 21.124,98 0.617,99 1.486,100 37.397,101 10.888,102 65.173,103 16.734,104 21,105 48,106 0.235,107 0.502,108 0.689,109 0.792,110 0.812,111 0.816,112 3.502,113 0.976,114 -3.31,115 -3.3,116 -3.16,119 37.9,121 2,122 1,124 3,125 6,140 7,142 5,156 1,169 6,172 7,174 1,176 3,178 4,181 3,182 10,186 3,189 2,193 5,195 1,199 4,202 1,203 4,206 2,211 10,214 2,215 3,222 6,225 1,226 7,229 1,231 1,233 1,236 1,237 5,240 1,242 2,248 2,249 2,254 1,256 2,259 1758,260 21.963,261 21.963,262 21.963,263 21.963,264 21.963,265 20.407,266 36.139,267 12.888,268 22.671,269 17.129,270 17.129,271 17.129,272 17.129,273 17.129,274 14.619,275 55.638,276 5.919,277 18.058,278 4.573,279 2.906,280 1.741,281 1.095,282 0.974,283 0.943,284 4.199,288 1,289 1,290 916,291 3.24,295 459.065,302 2.094,303 24.04,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 69,315 425,316 4.354,317 3.717,318 6.521,319 4.013,320 3.061,321 3.963,322 1.907,323 10.27,324 2.921,325 4.295,326 3.302,327 6.5,328 3.972,329 3.024,330 3.862,331 0.86,332 10.166,333 2.867,334 3.973,335 3.27,336 6.046,337 3.771,338 2.779,339 3.178,340 0.86,341 8.672,342 2.739,343 3.594,344 2.78,345 5.357,346 3.404,347 2.467,348 2.8,349 0.8,350 6.901,351 2.311,352 3.436,353 2.593,354 5.24,355 3.198,356 2.257,357 2.531,358 0.8,359 6.45,360 2.117,361 3.299,362 2.415,363 5.171,364 3.025,365 2.083,366 2.435,367 0.8,368 6.151,369 1.956,370 3.101,371 2.397,372 4.923,373 2.871,374 1.962,375 2.18,376 0.149,377 5.603,378 1.78,379 2.917,380 2.013,381 4.191,382 2.466,383 1.503,384 2.085,386 3.695,387 1.438,388 2.722,389 1.663,390 3.991,391 2.384,392 1.378,393 1.74,395 3.191,396 1.377,397 2.468,398 1.335,399 3.898,400 2.109,401 1.137,402 1.46,404 3.041,405 1.103,406 2.331,407 1.211,408 3.591,409 2.01,410 1.026,411 1.264,413 2.651,414 1.004,415 2,416 1.146,417 3.414,418 1.984,419 1,420 1,422 2.275,423 0.983,424 2,425 1.095,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.795,434 1.077,435 3.018,436 1.514,437 0.627,438 0.704,440 1.107,441 0.549,442 1.641,443 0.939,444 2.791,445 1.357,446 0.48,447 0.542,449 0.744,450 0.417,451 15.1,452 0.472,453 0.674,454 0.021,455 37.5,456 1.172,457 16,458 0.5,459 21.5,460 0.672,461 30.949,462 0.967,463 36.5,464 0.553,465 29.235,466 0.914,467 7.464,468 0.233,469 8.12,470 0.254,471 0.121,473 0.311,479 0.857,480 1.623,481 0.886,482 1.318,483 0.607,484 1.132,485 1.275,486 1.08,487 0.997,488 0.889,489 0.703,490 0.886,491 0.984,492 1.082,493 1.047,494 1.061,495 0.945,496 1.053,497 1.036,498 1.161,499 1.051,500 1.16,501 1.243,502 1.117,503 1.253,504 0.857,505 1.076,506 0.908,507 1.447,508 0.961,509 0.923,510 1.127,511 1.104,512 1.166,513 0.913,514 1.17,515 0.597,516 1.026,517 0.864,518 1.038,519 0.743,520 0.992,521 1.187,522 0.832,523 0.876,524 0.778,525 1.638,526 0.779,527 6,528 0.136,529 4,530 2.063,531 1.68,532 1.063,533 0.785,534 0.648,535 0.312,536 0.168,537 15115,538 33744,539 2.082,540 51.5,542 28,545 1,546 1,547 4,550 1.742,551 1.959,552 3.675,553 -0.372,559 97.105,560 1.471,561 3.139,562 4.303,563 4.949,564 5.071,565 5.101,566 3.129,567 4.539,568 4.972,569 3.872,570 1920.72,571 8.681,572 28881.7,577 398.93,578 1.366,579 4.936,580 0.171,581 0.005,582 0.083,583 0.04,584 0.035,585 0.024,586 0.02,587 0.019,588 0.009,589 0.006,590 0.411,591 0.5,592 1,593 0.781,594 170.179,595 0.002,596 -0.324,597 0.081,598 -0.147,599 0.022,600 -0.041,601 -0.122,602 0.087,603 0.021,604 0.123,605 0.023,606 0.099,607 -0.009,608 0.037,609 -0.059,610 -0.036,611 -0.01,612 -0.049,613 -0.054,614 -0.138,615 -0.071,616 -0.138,617 -0.058,618 -0.112,619 -0.084,620 0.122,621 -0.068,622 0.061,623 -0.131,624 0.007,625 -0.015,626 -0.133,627 -0.137,628 -0.142,629 -0.068,630 -0.159,631 0.143,632 -0.09,633 0.091,634 -0.066,635 0.136,636 -0.003,637 0.053,638 0.08,639 0.147,640 0.134,641 0.108,642 0.155,643 1.57,644 6.013,645 0.75,646 36.121,647 0.995,648 1.134,649 2.079,650 4.322,651 0.633,652 3.584,653 3.892,654 4.174,655 4.407,656 4.644,657 4.663,658 4.787,659 4.875,660 4.89,661 4.92,662 7.841,663 0.593,664 438.63,665 3.584,666 5.118,667 5.969,668 6.838,669 7.704,670 8.577,671 9.447,672 10.322,673 11.194,674 12.069,675 6.1,678 1,681 2,682 1,688 7,693 5,695 12,709 2,712 2,714 66,716 13,717 2,718 35,720 69,721 25,722 12,723 5,724 7,730 4,731 4,740 2,741 1,743 2,745 13,746 12,747 1,750 1,755 1,759 1,764 34,765 7,766 1,767 7,773 4,777 1,778 3,793 4,805 1,815 1,819 4,823 3,827 32,833 8,834 1,835 2,837 1,838 3,847 4.5,850 1,852 2,854 16.333,855 12.517,856 7.222,857 3.969,858 2.184,859 1.279,860 0.96,861 7.685,862 10.008,863 3.761,864 4.263,865 4.762,866 5.232,867 5.694,868 5.769,869 6.021,870 6.198,871 6.294,872 6.456,873 0.889,874 52,875 11.89,877 4.944,878 7.557,879 23.317,881 19.154,883 2.057,884 65.833,888 388.446,889 137.661,890 27.384,892 47.145,895 137.661,896 435.591,897 27.384,898 30.162,899 35.714,900 66.334,901 29.85,902 50.13,904 388.446,906 388.446,907 165.045,908 47.145,911 341.362,912 94.229,915 38.838,916 126.207,919 388.446,920 74.528,921 137.661,924 388.446,925 41.165,926 105.869,927 18.011,928 47.145,929 388.446,930 74.528,931 137.661,933 0.574,934 0.348,935 0.188,936 0.104,937 22,938 10,939 0.087,940 6,942 1,943 4.33,944 287.019,946 24,947 152,951 23.055,952 10.666,953 5.458,955 74.528,956 13.998,961 4.699,963 18.011,964 600.636,965 42,970 13.013,974 0.096,975 65.643,976 74.849,977 0.243,978 0.519,979 0.712,980 0.819,981 0.839,982 0.844,983 5.011,984 1.503,985 5.943,986 5.603,987 4.575,988 4.949,989 2.556,990 6.742,991 4.479,992 6.166,993 1.378,994 7.496,995 3.695,996 4.111,997 4.649,998 1.803,999 7.636,1000 3.959,1001 7.449,1002 1.137,1003 9.149,1004 3.191,1005 6.159,1006 6.992,1007 3.083,1008 10.714,1009 5.973,1010 8.762,1011 1.026,1012 10.86,1013 3.041,1014 6.524,1015 7.518,1016 3.076,1017 12.437,1018 6.281,1019 10.111,1020 1,1021 12.61,1022 2.651,1023 8.017,1024 9.351,1025 4.079,1026 15.025,1027 7.746,1028 11.481,1029 1,1030 14.385,1031 2.275,1032 8.764,1033 10.265,1034 4.417,1035 17.087,1036 8.439,1037 12.869,1038 0.627,1039 16.18,1040 2.275,1041 10.027,1042 11.88,1043 5.259,1044 19.504,1045 9.672,1046 3.061,1047 0.48,1048 17.988,1049 1.107,1050 10.959,1051 12.994,1052 5.751,1053 21.712,1054 10.551,1055 3.024,1056 10.27,1057 19.808,1058 0.744,1059 12.125,1060 14.499,1061 6.503,1062 24.066,1063 11.682,1064 2.779,1065 10.166,1066 21.636,1067 3.963,1068 13.146,1069 15.721,1070 7.068,1071 26.337,1072 12.651,1073 2.467,1074 8.672,1075 23.471,1076 3.862,1077 14.271,1078 17.167,1079 7.771,1080 28.668,1081 13.737,1082 2.257,1083 6.901,1084 25.312,1085 3.178,1086 15.335,1087 18.45,1088 8.374,1089 30.965,1090 14.749,1091 2.083,1092 6.45,1093 27.157,1094 2.8,1095 16.445,1096 19.863,1097 9.051,1098 33.289,1099 15.817,1100 1.962,1101 6.151,1102 29.006,1103 2.531,1104 17.529,1105 21.18,1106 9.674,1107 35.599,1108 16.851,1109 14389,1110 21623,1111 23.463,1112 41.807,1113 51.851,1114 52.992,1115 53.846,1116 51.546,1117 51.566,1118 61.489,1119 12.352,1120 146.379,1121 49.052,1122 5.354,1123 5.717,1124 6.213,1125 5.08,1126 5.061,1127 6.963,1128 3.306,1129 17.006,1130 4.921,1131 15.408,1132 1.481,1133 1.514,1134 1.538,1135 1.473,1136 1.473,1137 1.757,1138 0.353,1139 4.182,1140 1.401,1141 4.016,1142 4.058,1143 3.953,1144 3.898,1145 7.428,1146 3.905,1147 3.937,1148 3.976,1149 3.878,1150 3.835,1151 4.881,1152 3.841,1153 3.787,1154 3.838,1155 3.689,1156 3.658,1157 4.849,1158 3.656,1159 3.725,1160 3.779,1161 3.611,1162 3.555,1163 4.423,1164 3.56,1165 3.364,1166 3.416,1167 3.276,1168 3.099,1169 4.395,1170 3.135,1171 3.249,1172 3.315,1173 3.063,1174 2.97,1175 4.348,1176 2.98,1177 3.215,1178 3.303,1179 3.036,1180 2.941,1181 4.229,1182 2.946,1183 3.176,1184 3.255,1185 3.009,1186 2.941,1187 3.888,1188 2.94,1189 0.124,1190 0.106,1191 0.186,1192 0.115,1193 0.087,1194 4.354,1195 0.113,1196 3.717,1197 0.054,1198 6.521,1199 0.293,1200 4.013,1201 0.083,1202 3.061,1203 3.963,1204 1.907,1205 10.27,1206 2.921,1207 1.937,1208 1.903,1209 2.074,1210 2.085,1211 1.415,1212 2.083,1213 1.907,1214 1.877,1215 2.03,1216 2.053,1217 1.305,1218 2.051,1219 1.769,1220 1.726,1221 1.939,1222 1.929,1223 1.062,1224 1.931,1225 1.7,1226 1.633,1227 1.892,1228 1.872,1229 1.042,1230 1.883,1231 1.257,1232 1.202,1233 1.574,1234 1.565,1235 0.825,1236 1.557,1237 1.197,1238 1.124,1239 1.573,1240 1.513,1241 0.825,1242 1.533,1243 1.175,1244 1.082,1245 1.54,1246 1.476,1247 0.643,1248 1.498,1249 1.153,1250 1.064,1251 1.513,1252 1.411,1253 0.603,1254 1.429,1255 4.263,1257 5.572,1259 7.089,1261 8.694,1263 10.342,1265 5.539,1271 7.268,1272 3.154,1273 11.091,1275 0.009,1276 6.966,1280 39.132,1281 97.105,1282 207.151,1283 283.994,1284 326.665,1285 334.665,1286 336.665,1287 55.854,1288 7.824,1289 57.28,1290 57.28,1291 24,1292 12.609,1293 3.807,1294 3,1295 52.085,1296 153,1297 138,1298 0.165,1299 239.68,1300 421.71,1301 576.578,1302 29475,1304 22.501,1305 0.703,1306 0.604,1307 22.501,1308 19.342,1309 15.584,1310 0.445,1311 0.325,1312 11.184,1313 14.836,1314 10.852,1315 9.003,1316 15.584,1317 11.391,1318 13.536,1319 0.282,1320 0.179,1321 13.536,1322 8.599,1323 11.771,1324 0.184,1325 0.103,1326 11.771,1327 6.582,1328 9.596,1329 0.118,1330 0.057,1331 9.596,1332 4.58,1333 7.922,1334 0.077,1335 0.033,1336 7.922,1337 3.372,1338 0.265,1339 98.567,1340 0.206,1341 30.252,1342 0.438,1343 166,1344 450.475,1345 182.603,1346 425.022,1347 582.55,1348 402,1349 195,1350 423.375,1351 213.298,1352 429.755,1353 625.32,1354 401,1355 7.812} {0 CHEMBL196140,1 1.737,2 11,3 3.195,4 10.21,5 117.04,6 8.082,7 0.444,8 4.142,9 4.268,10 3.777,11 3.619,12 5.253,13 3.635,14 4.751,15 4.944,16 4.249,17 4.05,18 6.217,19 4.063,20 4.938,21 5.136,22 4.277,23 4.241,24 6.045,25 4.208,26 5.097,27 5.307,28 4.365,29 4.264,30 6.391,31 4.235,32 5.095,33 5.335,34 4.226,35 4.2,36 6.475,37 4.151,38 4.915,39 5.115,40 4.151,41 4.163,42 5.995,43 4.115,44 4.995,45 5.238,46 4.117,47 4.086,48 6.18,49 4.051,50 4.866,51 5.097,52 3.931,53 3.984,54 6.039,55 3.924,56 0.157,57 1.091,58 9.859,59 4.774,60 20.994,61 5.941,62 1.051,63 2.075,64 23.631,65 7.523,66 140.385,67 9.992,68 0.678,69 2.002,70 27.429,71 10.263,72 43.631,73 13.904,74 0.924,75 2.33,76 34.629,77 12.498,78 97.787,79 16.325,80 1.608,81 2.035,82 39.632,83 12.188,84 222.377,85 15.716,86 0.54,87 1.891,88 27.191,89 10.39,90 62.861,91 13.877,92 0.948,93 2.048,94 33.922,95 10.285,96 96.378,97 13.404,98 0.79,99 1.765,100 29.492,101 10.269,102 97.391,103 12.675,104 38,105 55,106 0.285,107 0.61,108 0.752,109 0.835,110 0.835,111 0.835,112 3.503,113 0.875,114 -4.54,115 -4.47,116 -4.21,119 40,121 1,124 2,125 5,131 1,140 3,141 4,142 1,143 2,145 1,150 1,156 1,164 1,169 6,171 2,172 10,178 7,181 1,182 6,189 6,192 4,193 7,199 5,202 3,203 6,211 2,215 11,222 1,225 2,226 9,233 1,236 1,237 3,248 4,249 3,259 1652,260 21.126,261 21.126,262 21.126,263 21.126,264 21.126,265 19.212,266 27.584,267 11.88,268 21.821,269 17.747,270 17.747,271 17.747,272 17.747,273 17.747,274 14.641,275 35.785,276 5.611,277 18.935,278 4.044,279 2.069,280 1.204,281 0.696,282 0.696,283 0.696,284 4.204,288 1,289 1,290 770,291 3.808,294 137.308,295 217.007,298 97.722,299 113.238,302 1.688,303 51.312,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 72.5,315 352,316 4.703,317 4.483,318 7.421,319 4.384,320 3.477,321 4.535,322 3.825,323 13.012,324 3.231,325 4.611,326 3.753,327 6.82,328 4.206,329 3.246,330 4.265,331 1.2,332 11.283,333 3.105,334 4.232,335 3.302,336 6.619,337 3.939,338 3.001,339 3.653,340 0.8,341 10.513,342 2.806,343 3.872,344 3.058,345 6.081,346 3.581,347 2.646,348 3.118,349 0.8,350 8.65,351 2.455,352 3.679,353 2.743,354 5.743,355 3.41,356 2.481,357 2.927,358 0.293,359 7.704,360 2.295,361 3.493,362 2.668,363 5.443,364 3.167,365 2.243,366 2.717,368 6.666,369 2.039,370 3.337,371 2.417,372 5.067,373 3.046,374 2.096,375 2.45,377 6.044,378 1.954,379 3.058,380 2.002,381 4.955,382 2.706,383 1.733,384 2.247,386 5.319,387 1.681,388 2.883,389 1.637,390 4.642,391 2.483,392 1.521,393 1.989,395 4.485,396 1.459,397 2.716,398 1.584,399 4.236,400 2.327,401 1.393,402 1.761,404 3.638,405 1.297,406 2.431,407 1.513,408 3.946,409 2.124,410 1.147,411 1.401,413 2.934,414 1.118,415 2.319,416 1.252,417 3.846,418 1.967,419 1,420 1.249,422 2.359,423 0.965,424 2.192,425 1.146,426 3.604,427 1.858,428 0.901,429 1.031,431 2.275,432 0.851,433 2,434 1.059,435 3.414,436 1.77,437 0.801,438 1,440 2.1,441 0.767,442 1.702,443 0.621,444 3.21,445 1.375,446 0.383,447 0.481,449 1.023,450 0.377,451 14.59,452 0.456,453 1.108,454 0.035,455 39,456 1.219,457 16.5,458 0.516,459 22.5,460 0.703,461 30.024,462 0.938,463 35.81,464 0.651,465 34.478,466 1.077,467 7.766,468 0.243,469 7.47,470 0.233,471 0.15,472 0.034,473 0.384,476 3,479 0.574,480 1.222,481 0.648,482 1.206,483 0.531,484 1.015,485 0.577,486 0.748,487 0.707,488 0.726,489 0.344,490 0.724,491 0.563,492 0.8,493 0.841,494 1.03,495 0.511,496 1.024,497 0.747,498 1.019,499 0.853,500 1.174,501 0.805,502 1.094,503 0.963,504 0.731,505 0.992,506 0.77,507 1.037,508 0.865,509 0.687,510 1.06,511 0.933,512 1.244,513 0.656,514 1.196,515 1.075,516 1.05,517 1.054,518 0.963,519 0.961,520 0.976,521 1.142,522 1.124,523 1.146,524 1.169,525 1.134,526 1.166,527 7.5,528 0.287,529 4.889,530 3.257,531 2.54,532 1.174,533 1.019,534 0.784,535 0.413,536 0.42,537 13278,538 40261,539 2.089,540 41.8,542 19,544 2,547 2,550 1.749,551 1.91,552 3.417,553 -0.681,555 1,559 95.561,560 1.737,561 3.712,562 4.577,563 5.086,564 5.086,565 5.086,566 2.891,567 4.601,568 4.973,569 3.588,570 1779.58,571 8.719,572 24780.1,574 1,576 1,577 317.975,578 1.668,579 4.905,580 0.208,581 0.01,582 0.089,583 0.057,584 0.044,585 0.023,586 0.021,587 0.017,588 0.011,589 0.013,590 0.493,591 0.5,592 0.88,593 0.765,594 165.151,595 -0.01,596 -0.212,597 0.063,598 -0.134,599 -0.052,600 -0.044,601 0.256,602 0.268,603 0.164,604 0.239,605 0.381,606 0.202,607 0.049,608 0.061,609 -0.01,610 -0.028,611 0.022,612 -0.035,613 0.096,614 -0.118,615 0.067,616 -0.17,617 0.066,618 -0.098,619 0.11,620 0.253,621 0.022,622 0.219,623 0.093,624 0.123,625 -0.051,626 -0.23,627 -0.082,628 -0.23,629 -0.046,630 -0.187,631 -0.12,632 -0.076,633 -0.07,634 -0.008,635 -0.051,636 -0.008,637 -0.143,638 -0.101,639 -0.169,640 -0.144,641 -0.103,642 -0.159,643 5.916,644 6.19,645 0.75,646 29.102,647 1.024,648 1.152,649 3.313,650 10.974,651 0.653,652 3.611,653 4.025,654 4.344,655 4.682,656 4.905,657 5.056,658 5.273,659 5.472,660 5.62,661 5.775,662 6.569,663 0.641,664 444.51,665 3.611,666 5.209,667 6.098,668 7.027,669 7.933,670 8.865,671 9.778,672 10.71,673 11.629,674 12.561,675 10.9,678 1,681 1,682 1,683 1,685 2,687 2,688 5,689 2,693 5,694 1,695 16,703 1,709 1,714 55,716 17,717 1,718 36,720 59,721 22,722 12,723 4,724 2,725 1,730 5,731 8,736 1,740 1,742 1,743 1,745 13,746 9,750 1,755 1,759 1,761 1,762 3,764 23,765 9,767 10,773 6,777 0.6,778 1,784 1,786 1,792 2,793 3,796 1,797 1,815 1,819 3,823 2,825 3,827 32,833 6,838 3,839 1,846 3,847 1.8,850 1,854 16.75,855 10.712,856 6.667,857 3.333,858 3.268,859 1.382,860 1.02,861 5.144,862 11.83,863 3.829,864 4.474,865 5.102,866 5.73,867 6.249,868 6.633,869 7.079,870 7.526,871 7.918,872 8.207,873 1,874 57,875 12.527,877 6.109,878 8.081,879 22.362,881 19.103,883 2.581,884 82.583,887 1,888 270.735,889 108.202,890 44.598,892 25.145,893 44.88,895 108.202,896 295.88,897 89.478,898 16.793,899 16.187,900 28.429,901 86.84,902 85.274,903 5.085,904 247.193,905 7.76,906 270.735,907 152.8,908 70.025,911 247.193,912 93.567,915 46.943,916 72.409,917 33.449,919 315.616,920 69.743,921 108.202,924 278.495,925 37.126,926 74.466,928 103.474,929 270.735,930 114.623,931 108.202,933 0.607,934 0.358,935 0.2,936 0.106,937 30,938 14,939 0.034,940 2,941 2,942 1.167,943 4.099,944 320.794,945 0.167,946 24,947 151.245,951 21.234,952 7.753,953 3.672,954 1.914,955 112.847,956 8.641,957 8.292,961 0.965,962 0.708,964 493.561,965 45,970 13.19,974 -0.687,975 56.312,976 63.37,977 0.301,978 0.642,979 0.792,980 0.88,981 0.88,982 0.88,983 5.136,984 1.733,985 6.151,986 6.044,987 4.71,988 5.162,989 3.244,990 7.071,991 4.592,992 6.378,993 1.521,994 7.784,995 5.319,996 4.575,997 5.173,998 3.926,999 8.29,1000 4.331,1001 7.728,1002 1.393,1003 9.525,1004 4.485,1005 6.447,1006 7.415,1007 5.44,1008 11.395,1009 6.207,1010 9.114,1011 1.147,1012 11.328,1013 3.638,1014 7.099,1015 8.238,1016 6.692,1017 13.413,1018 6.745,1019 10.534,1020 1,1021 13.172,1022 2.934,1023 8.515,1024 10.014,1025 8.059,1026 16.107,1027 8.143,1028 11.978,1029 0.901,1030 15.044,1031 2.359,1032 9.491,1033 11.197,1034 9.389,1035 18.432,1036 9.026,1037 13.439,1038 0.801,1039 16.937,1040 2.275,1041 10.758,1042 12.798,1043 10.734,1044 21.005,1045 10.253,1046 3.477,1047 0.383,1048 18.846,1049 2.1,1050 11.87,1051 14.146,1052 12.074,1053 23.453,1054 11.286,1055 3.246,1056 13.012,1057 20.768,1058 1.023,1059 13.092,1060 15.678,1061 13.417,1062 25.994,1063 12.455,1064 3.001,1065 11.283,1066 22.701,1067 4.535,1068 14.261,1069 17.102,1070 14.758,1071 28.495,1072 13.552,1073 2.646,1074 10.513,1075 24.642,1076 4.265,1077 15.473,1078 18.607,1079 16.1,1080 31.032,1081 14.704,1082 2.481,1083 8.65,1084 26.59,1085 3.653,1086 16.669,1087 20.068,1088 17.441,1089 33.557,1090 15.83,1091 2.243,1092 7.704,1093 28.544,1094 3.118,1095 17.882,1096 21.564,1097 18.783,1098 36.098,1099 16.978,1100 2.096,1101 6.666,1102 30.504,1103 2.927,1104 19.091,1105 23.042,1106 20.124,1107 38.637,1108 18.118,1109 12532,1110 22149,1111 23.581,1112 35.915,1113 56.959,1114 56.908,1115 58.434,1116 56.437,1117 56.138,1118 69.647,1119 13.836,1120 176.011,1121 52.797,1122 5.703,1123 6.483,1124 6.94,1125 5.452,1126 5.477,1127 7.535,1128 5.335,1129 20.958,1130 5.231,1131 18.211,1132 1.582,1133 1.581,1134 1.623,1135 1.568,1136 1.559,1137 1.935,1138 0.384,1139 4.889,1140 1.467,1141 4.14,1142 4.171,1143 4.105,1144 4.061,1145 8.513,1146 4.067,1147 3.974,1148 4.023,1149 3.957,1150 3.788,1151 7.999,1152 3.823,1153 3.815,1154 3.888,1155 3.713,1156 3.621,1157 7.999,1158 3.634,1159 3.652,1160 3.711,1161 3.567,1162 3.491,1163 7.428,1164 3.499,1165 3.26,1166 3.323,1167 3.285,1168 3.028,1169 4.968,1170 3.042,1171 3.237,1172 3.311,1173 3.152,1174 2.997,1175 4.877,1176 3.006,1177 3.187,1178 3.258,1179 3.043,1180 2.941,1181 4.488,1182 2.925,1183 3.111,1184 3.206,1185 2.954,1186 2.927,1187 4.347,1188 2.91,1189 0.131,1190 0.125,1191 0.206,1192 0.122,1193 0.097,1194 4.703,1195 0.126,1196 4.483,1197 0.106,1198 7.421,1199 0.361,1200 4.384,1201 0.09,1202 3.477,1203 4.535,1204 3.825,1205 13.012,1206 3.231,1207 2.05,1208 2.029,1209 2.116,1210 2.139,1211 1.335,1212 2.133,1213 1.748,1214 1.676,1215 1.959,1216 1.963,1217 1.238,1218 1.967,1219 1.667,1220 1.64,1221 1.779,1222 1.884,1223 1.055,1224 1.841,1225 1.5,1226 1.436,1227 1.724,1228 1.767,1229 0.874,1230 1.75,1231 1.45,1232 1.384,1233 1.611,1234 1.635,1235 0.825,1236 1.639,1237 1.31,1238 1.248,1239 1.54,1240 1.526,1241 0.687,1242 1.511,1243 1.182,1244 1.086,1245 1.513,1246 1.449,1247 0.639,1248 1.471,1249 1.153,1250 1.064,1251 1.465,1252 1.376,1253 0.562,1254 1.429,1255 4.29,1257 5.68,1258 3.045,1259 7.256,1260 5.416,1261 8.92,1262 7.535,1263 10.631,1265 3.275,1267 40.595,1271 4.447,1276 5.909,1277 -4.666,1280 35.261,1281 95.561,1282 204.187,1283 251.736,1284 279.71,1285 279.71,1286 279.71,1287 68.837,1288 8.562,1289 57.5,1290 57.5,1291 28,1292 13.064,1293 4.17,1294 3.322,1295 45.555,1296 126,1297 140,1298 0.178,1299 209.772,1300 366.54,1301 503.605,1302 66338,1303 5.5,1304 22.621,1305 0.707,1306 0.558,1307 20.121,1308 17.855,1309 15.236,1310 0.423,1311 0.292,1312 10.259,1313 14.335,1314 10.049,1315 8.213,1316 14.025,1317 10.5,1318 15.145,1319 0.275,1320 0.152,1321 13.112,1322 8.362,1323 12.49,1324 0.164,1325 0.083,1326 11.989,1327 6.324,1328 11.192,1329 0.105,1330 0.043,1331 10.015,1332 4.602,1333 8.873,1334 0.066,1335 0.024,1336 8.085,1337 3.152,1338 0.275,1339 97.622,1340 0.206,1341 29.283,1342 0.506,1343 182,1344 695.94,1345 213.721,1346 588.728,1347 785.01,1348 548,1349 222,1350 568.662,1351 250.58,1352 554.931,1353 842.75,1354 520,1355 8} {0 CHEMBL196169,1 1.589,2 13.161,3 3.09,4 9.549,5 121.317,6 7.01,7 0.353,8 4.206,9 4.342,10 3.724,11 3.656,12 5.238,13 3.644,14 4.79,15 5,16 4.071,17 4.052,18 5.774,19 4.021,20 5.044,21 5.269,22 4.171,23 4.261,24 6.015,25 4.19,26 5.157,27 5.396,28 4.11,29 4.286,30 6.122,31 4.182,32 5.189,33 5.454,34 4.042,35 4.23,36 6.153,37 4.124,38 5.044,39 5.293,40 3.93,41 4.15,42 5.977,43 4.03,44 4.99,45 5.266,46 3.852,47 4.042,48 5.889,49 3.913,50 4.91,51 5.185,52 3.821,53 3.873,54 6.012,55 3.796,56 0.024,57 0.984,58 13.845,59 5.189,60 7.501,61 7.501,62 0.435,63 1.554,64 27.375,65 7.946,66 29.387,67 12.19,68 0.534,69 1.931,70 35.679,71 11.409,72 40.081,73 16.803,74 0.425,75 1.987,76 40.523,77 13.627,78 59.983,79 19.594,80 0.795,81 1.934,82 43.778,83 13.004,84 85.05,85 18.975,86 0.632,87 1.721,88 36.82,89 11.788,90 57.086,91 17.303,92 0.46,93 1.505,94 34.778,95 10.842,96 47.452,97 16.864,98 0.71,99 1.331,100 33.512,101 8.409,102 93.366,103 13.404,104 18,105 47,106 0.258,107 0.509,108 0.653,109 0.771,110 0.832,111 0.832,112 3.472,113 0.946,114 -3.4,115 -3.38,116 -3.24,119 37.7,124 2,125 8,140 7,142 5,157 1,169 4,171 1,172 3,174 2,176 2,178 3,181 3,182 5,186 1,189 2,193 6,195 1,202 1,203 4,206 2,214 3,215 3,225 2,226 5,229 1,231 1,237 3,242 2,248 3,249 1,254 1,256 2,259 1624,260 21.093,261 21.093,262 21.093,263 21.093,264 21.093,265 19.484,266 32.544,267 12.367,268 21.803,269 16.691,270 16.691,271 16.691,272 16.691,273 16.691,274 14.192,275 48.8,276 5.767,277 17.741,278 4.342,279 2.802,280 1.913,281 1.189,282 0.812,283 0.812,284 4.168,288 1,289 1,290 883,291 3.082,295 444.116,302 2.037,303 30.32,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 68,315 408,316 4.354,317 3.692,318 6.521,319 4.008,320 3.06,321 3.963,322 1.701,323 10.27,324 2.9,325 4.273,326 3.31,327 6.451,328 3.945,329 3.005,330 3.839,331 0.86,332 9.941,333 2.817,334 3.971,335 3.297,336 6.044,337 3.718,338 2.772,339 3.178,340 0.8,341 8.662,342 2.61,343 3.593,344 2.781,345 5.354,346 3.399,347 2.466,348 2.8,349 0.8,350 6.89,351 2.298,352 3.434,353 2.641,354 5.215,355 3.182,356 2.243,357 2.53,358 0.8,359 6.425,360 2.099,361 3.279,362 2.417,363 5.062,364 2.985,365 2.046,366 2.422,367 0.563,368 5.792,369 1.914,370 3.101,371 2.398,372 4.923,373 2.869,374 1.96,375 2.18,376 0.075,377 5.602,378 1.778,379 2.862,380 2.153,381 4.144,382 2.387,383 1.414,384 2.015,386 3.593,387 1.369,388 2.717,389 1.61,390 3.978,391 2.354,392 1.375,393 1.736,395 3.088,396 1.327,397 2.468,398 1.335,399 3.838,400 2.109,401 1.137,402 1.46,404 3.022,405 1.103,406 2.329,407 1.208,408 3.579,409 1.995,410 1.026,411 1.262,413 2.651,414 0.988,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.794,434 1.095,435 3.017,436 1.512,437 0.626,438 0.703,440 1.105,441 0.547,442 1.144,443 0.54,444 2.754,445 0.858,446 -0.063,447 -0.071,449 -0.133,450 -0.057,451 14.452,452 0.466,453 0.712,454 0.023,455 37,456 1.194,457 15.5,458 0.5,459 21.5,460 0.694,461 28.083,462 0.906,463 35.348,464 0.579,465 29.541,466 0.953,467 7.635,468 0.246,469 7.411,470 0.239,471 0.112,473 0.318,477 1,479 0.744,480 1.535,481 0.814,482 1.315,483 0.524,484 1.113,485 1.004,486 1.01,487 0.94,488 0.856,489 0.551,490 0.861,491 0.931,492 0.99,493 1.032,494 1.035,495 0.799,496 1.039,497 1.003,498 1.167,499 1.035,500 1.201,501 1.113,502 1.144,503 1.269,504 0.919,505 1.053,506 0.879,507 1.41,508 0.92,509 0.988,510 1.007,511 1.097,512 1.102,513 1.009,514 1.125,515 0.54,516 0.95,517 0.839,518 1.064,519 0.538,520 1.014,521 1.133,522 0.755,523 0.9,524 0.751,525 1.073,526 0.766,527 6,528 0.136,529 4,530 2.063,531 1.64,532 1,533 0.765,534 0.62,535 0.287,536 0.168,537 13958,538 34623,539 2.084,540 49.2,542 29,545 1,550 1.734,551 1.958,552 3.652,553 -0.329,555 1,559 96.917,560 1.589,561 3.129,562 4.018,563 4.742,564 5.119,565 5.119,566 3.112,567 4.632,568 4.926,569 3.84,570 1785.7,571 8.588,572 26143.1,574 1,577 361.775,578 1.383,579 4.888,580 0.176,581 0.005,582 0.085,583 0.041,584 0.036,585 0.024,586 0.021,587 0.018,588 0.009,589 0.006,590 0.422,591 0.5,592 1,593 0.701,594 163.08,595 -0.021,596 -0.349,597 0.075,598 -0.172,599 -0.005,600 -0.056,601 -0.055,602 0.059,603 0.026,604 0.12,605 0.05,606 0.098,607 -0.015,608 0.074,609 -0.073,610 -0.029,611 0.006,612 -0.054,613 -0.057,614 -0.184,615 -0.071,616 -0.177,617 -0.056,618 -0.137,619 -0.097,620 0.065,621 -0.035,622 0.078,623 -0.134,624 0.041,625 0.005,626 -0.013,627 -0.12,628 -0.102,629 -0.076,630 -0.135,631 0.157,632 -0.137,633 0.108,634 -0.102,635 0.098,636 -0.021,637 0.033,638 0.071,639 0.131,640 0.13,641 0.184,642 0.152,643 1.893,644 6.041,645 0.774,646 34.142,647 1.003,648 1.142,649 2.172,650 4.719,651 0.636,652 3.555,653 3.871,654 4.143,655 4.369,656 4.605,657 4.625,658 4.754,659 4.836,660 4.828,661 4.89,662 7.652,663 0.603,664 427.58,665 3.555,666 5.094,667 5.943,668 6.812,669 7.676,670 8.548,671 9.416,672 10.29,673 11.16,674 12.034,675 8.2,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 1,713 1,714 61,716 13,717 2,718 34,720 64,721 23,722 12,723 5,724 7,730 4,731 4,735 1,745 13,746 10,750 1,755 1,759 1,761 1,762 1,764 30,765 8,766 1,767 8,773 5,777 1,778 2,793 4,815 1,819 4,823 2,825 1,827 31,833 8,834 1,835 1,838 4,846 1,847 3.3,850 1,852 1,854 15.833,855 11.36,856 6.889,857 3.63,858 2.13,859 1.275,860 0.977,861 7.078,862 9.866,863 3.738,864 4.248,865 4.736,866 5.2,867 5.66,868 5.728,869 5.976,870 6.17,871 6.243,872 6.427,873 0.889,874 50,875 11.545,877 4.878,878 7.726,879 22.27,881 18.253,883 2.226,884 69,887 1,888 341.362,889 129.369,890 30.508,892 36.145,893 14.96,895 129.369,896 377.507,897 45.468,898 19.279,899 37.981,900 66.334,901 25.145,902 43.008,903 19.236,904 341.362,906 341.362,907 159.877,908 51.105,911 356.322,912 36.145,915 41.105,916 118.772,919 356.322,920 66.653,921 129.369,924 341.362,925 43.756,926 98.11,927 18.011,928 51.105,929 341.362,930 81.613,931 129.369,933 0.58,934 0.345,935 0.183,936 0.101,937 22,938 10,939 0.063,940 4,942 1,943 4.26,944 275.085,946 24,947 143.58,951 22.028,952 9.96,953 5.182,955 81.613,956 12.522,961 2.916,963 18.011,964 552.344,965 41,970 12.833,974 -0.136,975 61.163,976 69.648,977 0.268,978 0.528,979 0.678,980 0.8,981 0.863,982 0.863,983 4.99,984 1.414,985 5.922,986 5.602,987 4.554,988 4.934,989 2.379,990 6.718,991 4.437,992 6.152,993 1.375,994 7.475,995 3.593,996 4.111,997 4.649,998 1.577,999 7.6,1000 3.903,1001 7.435,1002 1.137,1003 9.127,1004 3.088,1005 6.138,1006 6.979,1007 2.694,1008 10.678,1009 5.901,1010 8.749,1011 1.026,1012 10.837,1013 3.022,1014 6.509,1015 7.505,1016 2.548,1017 12.385,1018 6.179,1019 10.096,1020 1,1021 12.584,1022 2.651,1023 7.994,1024 9.336,1025 3.441,1026 14.972,1027 7.638,1028 11.465,1029 1,1030 14.358,1031 2.275,1032 8.742,1033 10.247,1034 3.624,1035 17.02,1036 8.301,1037 12.852,1038 0.626,1039 16.15,1040 2.275,1041 10.002,1042 11.862,1043 4.372,1044 19.433,1045 9.528,1046 3.06,1047 -0.063,1048 17.956,1049 1.105,1050 10.932,1051 12.971,1052 4.72,1053 21.628,1054 10.381,1055 3.005,1056 10.27,1057 19.773,1058 -0.133,1059 12.095,1060 14.476,1061 5.376,1062 23.975,1063 11.504,1064 2.772,1065 9.941,1066 21.598,1067 3.963,1068 13.113,1069 15.694,1070 5.809,1071 26.235,1072 12.452,1073 2.466,1074 8.662,1075 23.431,1076 3.839,1077 14.236,1078 17.14,1079 6.41,1080 28.558,1081 13.528,1082 2.243,1083 6.89,1084 25.269,1085 3.178,1086 15.297,1087 18.418,1088 6.887,1089 30.847,1090 14.525,1091 2.046,1092 6.425,1093 27.111,1094 2.8,1095 16.405,1096 19.831,1097 7.458,1098 33.162,1099 15.582,1100 1.96,1101 5.792,1102 28.957,1103 2.53,1104 17.486,1105 21.145,1106 7.96,1107 35.463,1108 16.602,1109 13236,1110 21006,1111 22.77,1112 38.773,1113 50.584,1114 51.748,1115 52.498,1116 50.358,1117 50.261,1118 60.177,1119 11.2,1120 143.18,1121 47.36,1122 5.354,1123 5.692,1124 6.206,1125 5.075,1126 5.06,1127 6.963,1128 2.972,1129 16.994,1130 4.9,1131 14.985,1132 1.488,1133 1.522,1134 1.544,1135 1.481,1136 1.478,1137 1.77,1138 0.329,1139 4.211,1140 1.393,1141 4.006,1142 4.052,1143 3.948,1144 3.882,1145 8.201,1146 3.892,1147 3.934,1148 3.976,1149 3.88,1150 3.832,1151 7.429,1152 3.838,1153 3.765,1154 3.829,1155 3.669,1156 3.566,1157 4.864,1158 3.58,1159 3.712,1160 3.769,1161 3.605,1162 3.541,1163 4.664,1164 3.548,1165 3.359,1166 3.41,1167 3.274,1168 3.075,1169 4.424,1170 3.119,1171 3.211,1172 3.303,1173 3.031,1174 2.941,1175 4.35,1176 2.94,1177 3.166,1178 3.243,1179 3.007,1180 2.941,1181 4.26,1182 2.923,1183 3.111,1184 3.206,1185 2.866,1186 2.94,1187 3.889,1188 2.91,1189 0.128,1190 0.109,1191 0.192,1192 0.118,1193 0.09,1194 4.354,1195 0.117,1196 3.692,1197 0.05,1198 6.521,1199 0.302,1200 4.008,1201 0.085,1202 3.06,1203 3.963,1204 1.701,1205 10.27,1206 2.9,1207 1.922,1208 1.889,1209 2.039,1210 2.08,1211 1.306,1212 2.07,1213 1.902,1214 1.869,1215 2.024,1216 2.049,1217 1.292,1218 2.045,1219 1.718,1220 1.65,1221 1.908,1222 1.921,1223 1.051,1224 1.92,1225 1.679,1226 1.615,1227 1.873,1228 1.86,1229 1.01,1230 1.867,1231 1.244,1232 1.186,1233 1.573,1234 1.562,1235 0.825,1236 1.554,1237 1.174,1238 1.074,1239 1.54,1240 1.475,1241 0.825,1242 1.497,1243 1.153,1244 1.064,1245 1.513,1246 1.399,1247 0.641,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.576,1254 1.429,1255 4.234,1257 5.549,1259 7.067,1261 8.671,1263 10.317,1265 3.791,1267 14.041,1271 6.11,1272 3.019,1273 5.551,1276 8.353,1280 36.768,1281 96.917,1282 190.855,1283 245.104,1284 289.246,1285 312.265,1286 312.265,1287 57.559,1288 7.736,1289 51.29,1290 51.29,1291 24,1292 12.575,1293 3.807,1294 3,1295 49.635,1296 144,1297 130,1298 0.167,1299 224.491,1300 395.39,1301 539.518,1302 26222,1303 1.6,1304 21.794,1305 0.703,1306 0.587,1307 20.924,1308 18.182,1309 15.046,1310 0.443,1311 0.315,1312 10.499,1313 14.242,1314 10.247,1315 8.452,1316 14.635,1317 10.719,1318 13.345,1319 0.284,1320 0.171,1321 12.817,1322 8.033,1323 11.457,1324 0.185,1325 0.097,1326 10.99,1327 6.034,1328 9.277,1329 0.119,1330 0.053,1331 8.881,1332 4.123,1333 7.601,1334 0.077,1335 0.03,1336 7.36,1337 2.974,1338 0.268,1339 95.665,1340 0.21,1341 29.476,1342 0.443,1343 162,1344 508.495,1345 182.136,1346 457.629,1347 617.01,1348 430,1349 190,1350 444.98,1351 211.561,1352 443.505,1353 648.72,1354 415,1355 6.987} {0 CHEMBL196370,1 1.517,2 13.281,3 2.868,4 8.227,5 127.564,6 6.763,7 0.343,8 4.264,9 4.398,10 3.756,11 3.7,12 5.266,13 3.684,14 4.848,15 5.059,16 4.086,17 4.09,18 5.775,19 4.055,20 5.072,21 5.29,22 4.193,23 4.31,24 5.967,25 4.234,26 5.208,27 5.44,28 4.157,29 4.363,30 6.108,31 4.254,32 5.272,33 5.533,34 4.099,35 4.336,36 6.151,37 4.219,38 5.164,39 5.414,40 3.984,41 4.276,42 6.002,43 4.135,44 5.14,45 5.432,46 3.891,47 4.154,48 5.965,49 3.999,50 5.012,51 5.303,52 3.838,53 3.945,54 5.958,55 3.852,56 0.021,57 0.966,58 15.409,59 5.491,60 9.982,61 8.159,62 0.482,63 1.517,64 29.779,65 8.288,66 32.315,67 13.062,68 0.484,69 1.85,70 36.808,71 11.797,72 31.589,73 17.803,74 0.372,75 1.958,76 42.351,77 14.243,78 47.824,79 21.106,80 0.743,81 1.952,82 46.618,83 13.96,84 66.752,85 21.2,86 0.573,87 1.817,88 41.017,89 13.512,90 45.407,91 20.3,92 0.481,93 1.689,94 40.349,95 12.553,96 50.018,97 19.854,98 0.674,99 1.412,100 36.795,101 9.161,102 65.514,103 15.022,104 21,105 48,106 0.243,107 0.485,108 0.627,109 0.736,110 0.808,111 0.813,112 3.502,113 0.955,114 -2.76,115 -2.77,116 -2.69,119 36.9,124 3,125 8,140 7,142 5,157 1,169 4,171 1,172 4,174 2,176 2,178 3,181 4,182 7,186 1,189 2,193 7,195 1,202 1,203 4,206 2,214 4,215 3,225 2,226 5,229 1,231 1,236 1,237 3,240 1,242 2,248 3,249 1,254 1,256 2,259 1758,260 21.963,261 21.963,262 21.963,263 21.963,264 21.963,265 20.407,266 35.132,267 12.888,268 22.794,269 17.129,270 17.129,271 17.129,272 17.129,273 17.129,274 14.619,275 52.91,276 5.919,277 18.248,278 4.506,279 2.999,280 2.114,281 1.435,282 0.989,283 0.958,284 4.199,288 1,289 1,290 916,291 3.24,295 459.065,302 2.094,303 23.443,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 69.5,315 425,316 4.354,317 3.692,318 6.521,319 4.009,320 3.061,321 3.963,322 1.701,323 10.27,324 2.9,325 4.295,326 3.302,327 6.5,328 3.967,329 3.024,330 3.862,331 0.86,332 10.166,333 2.848,334 3.973,335 3.271,336 6.046,337 3.725,338 2.779,339 3.178,340 0.86,341 8.672,342 2.617,343 3.594,344 2.781,345 5.357,346 3.4,347 2.467,348 2.8,349 0.8,350 6.901,351 2.3,352 3.436,353 2.624,354 5.24,355 3.193,356 2.257,357 2.531,358 0.8,359 6.45,360 2.107,361 3.299,362 2.417,363 5.171,364 3.019,365 2.083,366 2.435,367 0.8,368 6.151,369 1.945,370 3.101,371 2.398,372 4.923,373 2.87,374 1.962,375 2.18,376 0.563,377 5.603,378 1.779,379 2.917,380 2.161,381 4.191,382 2.465,383 1.503,384 2.085,385 0.075,386 3.695,387 1.438,388 2.722,389 1.672,390 3.991,391 2.366,392 1.378,393 1.74,395 3.191,396 1.35,397 2.468,398 1.335,399 3.898,400 2.109,401 1.137,402 1.46,404 3.041,405 1.103,406 2.331,407 1.215,408 3.591,409 1.995,410 1.026,411 1.264,413 2.651,414 0.988,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.795,434 1.095,435 3.018,436 1.513,437 0.627,438 0.704,440 1.107,441 0.548,442 1.641,443 0.939,444 2.791,445 1.356,446 0.48,447 0.542,449 0.744,450 0.416,451 15,452 0.469,453 0.674,454 0.021,455 38.25,456 1.195,457 16,458 0.5,459 22.25,460 0.695,461 29.533,462 0.923,463 36.6,464 0.563,465 30.651,466 0.958,467 7.916,468 0.247,469 7.668,470 0.24,471 0.122,473 0.307,479 0.881,480 1.752,481 0.865,482 1.369,483 0.611,484 1.145,485 1.285,486 1.01,487 0.988,488 0.805,489 0.684,490 0.826,491 0.982,492 1.044,493 1.051,494 1.046,495 0.84,496 1.044,497 1.023,498 1.234,499 1.056,500 1.228,501 1.265,502 1.165,503 1.253,504 0.887,505 1.061,506 0.903,507 1.444,508 0.949,509 0.915,510 1.12,511 1.096,512 1.158,513 0.914,514 1.165,515 0.555,516 1.073,517 0.835,518 1.048,519 0.723,520 0.989,521 1.276,522 0.797,523 0.877,524 0.684,525 1.685,526 0.701,527 6,528 0.136,529 4,530 2.063,531 1.68,532 1.063,533 0.785,534 0.648,535 0.312,536 0.168,537 15115,538 34728,539 2.082,540 50.8,542 32,545 1,550 1.742,551 1.959,552 3.675,553 -0.341,555 1,559 98.585,560 1.517,561 3.024,562 3.908,563 4.587,564 5.034,565 5.064,566 3.129,567 4.539,568 4.972,569 3.872,570 1920.72,571 8.681,572 28881.7,577 391.454,578 1.366,579 4.936,580 0.171,581 0.005,582 0.083,583 0.04,584 0.035,585 0.024,586 0.02,587 0.019,588 0.009,589 0.006,590 0.411,591 0.33,592 1,593 0.781,594 170.179,595 -0.008,596 -0.434,597 0.087,598 -0.201,599 0.014,600 -0.067,601 -0.088,602 0.164,603 0.033,604 0.175,605 0.05,606 0.133,607 -0.017,608 0.098,609 -0.07,610 -0.019,611 -0.006,612 -0.044,613 -0.057,614 -0.204,615 -0.085,616 -0.187,617 -0.064,618 -0.149,619 -0.092,620 0.081,621 -0.053,622 0.058,623 -0.13,624 0.014,625 0.025,626 -0.122,627 -0.125,628 -0.143,629 -0.057,630 -0.162,631 0.188,632 -0.142,633 0.125,634 -0.084,635 0.162,636 -0.001,637 0.006,638 0.113,639 0.166,640 0.184,641 0.096,642 0.206,643 1.737,644 5.939,645 0.75,646 36.121,647 0.998,648 1.137,649 1.529,650 2.338,651 0.632,652 3.584,653 3.892,654 4.174,655 4.407,656 4.644,657 4.663,658 4.787,659 4.875,660 4.89,661 4.92,662 7.841,663 0.594,664 439.62,665 3.584,666 5.118,667 5.969,668 6.838,669 7.704,670 8.577,671 9.447,672 10.322,673 11.194,674 12.069,675 7.7,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 2,714 65,716 13,717 2,718 35,720 68,721 24,722 12,723 5,724 7,730 4,731 4,735 1,745 13,746 11,750 1,755 1,759 1,764 33,765 8,766 1,767 8,773 5,777 1,778 3,793 4,815 1,819 4,823 3,827 32,833 8,834 1,835 2,838 4,847 4.6,850 1,852 2,854 16.333,855 12.383,856 7.222,857 3.803,858 2.184,859 1.279,860 0.965,861 7.654,862 10.008,863 3.761,864 4.263,865 4.762,866 5.232,867 5.694,868 5.769,869 6.021,870 6.198,871 6.294,872 6.456,873 0.889,874 52,875 11.866,877 4.903,878 7.578,879 23.159,881 18.772,883 2.078,884 66.5,888 376.675,889 136.375,890 30.508,892 47.145,895 136.375,896 423.82,897 30.508,898 30.162,899 37.981,900 66.334,901 25.145,902 50.13,903 4.276,904 376.675,906 376.675,907 166.883,908 47.145,911 376.675,912 47.145,915 41.105,916 125.778,919 376.675,920 77.653,921 136.375,924 376.675,925 39.879,926 108.993,927 18.011,928 47.145,929 376.675,930 77.653,931 136.375,933 0.574,934 0.348,935 0.188,936 0.104,937 22,938 10,939 0.074,940 5,942 1,943 4.33,944 287.019,946 24,947 152,951 23.018,952 10.64,953 5.442,955 77.653,956 13.87,961 4.58,963 18.011,964 590.703,965 42,970 12.939,974 -0.07,975 64.861,976 73.933,977 0.252,978 0.502,979 0.649,980 0.762,981 0.836,982 0.841,983 5.011,984 1.503,985 5.943,986 5.603,987 4.575,988 4.949,989 2.508,990 6.742,991 4.456,992 6.166,993 1.378,994 7.496,995 3.695,996 4.111,997 4.649,998 1.577,999 7.636,1000 3.915,1001 7.449,1002 1.137,1003 9.149,1004 3.191,1005 6.159,1006 6.992,1007 2.765,1008 10.714,1009 5.923,1010 8.762,1011 1.026,1012 10.86,1013 3.041,1014 6.524,1015 7.518,1016 2.548,1017 12.437,1018 6.206,1019 10.111,1020 1,1021 12.61,1022 2.651,1023 8.017,1024 9.351,1025 3.467,1026 15.025,1027 7.665,1028 11.481,1029 1,1030 14.385,1031 2.275,1032 8.764,1033 10.265,1034 3.624,1035 17.087,1036 8.336,1037 12.869,1038 0.627,1039 16.18,1040 2.275,1041 10.027,1042 11.88,1043 4.379,1044 19.504,1045 9.562,1046 3.061,1047 0.48,1048 17.988,1049 1.107,1050 10.959,1051 12.994,1052 4.72,1053 21.712,1054 10.424,1055 3.024,1056 10.27,1057 19.808,1058 0.744,1059 12.125,1060 14.499,1061 5.378,1062 24.066,1063 11.547,1064 2.779,1065 10.166,1066 21.636,1067 3.963,1068 13.146,1069 15.721,1070 5.809,1071 26.337,1072 12.503,1073 2.467,1074 8.672,1075 23.471,1076 3.862,1077 14.271,1078 17.167,1079 6.41,1080 28.668,1081 13.581,1082 2.257,1083 6.901,1084 25.312,1085 3.178,1086 15.335,1087 18.45,1088 6.887,1089 30.965,1090 14.583,1091 2.083,1092 6.45,1093 27.157,1094 2.8,1095 16.445,1096 19.863,1097 7.458,1098 33.289,1099 15.643,1100 1.962,1101 6.151,1102 29.006,1103 2.531,1104 17.529,1105 21.18,1106 7.96,1107 35.599,1108 16.668,1109 14389,1110 21953,1111 23.463,1112 41.052,1113 51.851,1114 52.997,1115 53.846,1116 51.556,1117 51.566,1118 61.489,1119 12.92,1120 146.379,1121 48.54,1122 5.354,1123 5.692,1124 6.213,1125 5.076,1126 5.061,1127 6.963,1128 2.972,1129 17.006,1130 4.9,1131 15.408,1132 1.481,1133 1.514,1134 1.538,1135 1.473,1136 1.473,1137 1.757,1138 0.369,1139 4.182,1140 1.387,1141 4.008,1142 4.052,1143 3.948,1144 3.884,1145 7.429,1146 3.894,1147 3.934,1148 3.973,1149 3.877,1150 3.833,1151 4.881,1152 3.839,1153 3.766,1154 3.829,1155 3.669,1156 3.567,1157 4.849,1158 3.58,1159 3.713,1160 3.769,1161 3.604,1162 3.541,1163 4.426,1164 3.548,1165 3.359,1166 3.411,1167 3.274,1168 3.075,1169 4.397,1170 3.119,1171 3.249,1172 3.315,1173 3.063,1174 2.969,1175 4.349,1176 2.979,1177 3.211,1178 3.303,1179 3.03,1180 2.941,1181 4.258,1182 2.94,1183 3.166,1184 3.243,1185 3.007,1186 2.941,1187 3.889,1188 2.92,1189 0.124,1190 0.105,1191 0.186,1192 0.115,1193 0.087,1194 4.354,1195 0.113,1196 3.692,1197 0.049,1198 6.521,1199 0.293,1200 4.009,1201 0.083,1202 3.061,1203 3.963,1204 1.701,1205 10.27,1206 2.9,1207 1.922,1208 1.89,1209 2.041,1210 2.081,1211 1.306,1212 2.071,1213 1.904,1214 1.874,1215 2.026,1216 2.05,1217 1.293,1218 2.046,1219 1.718,1220 1.65,1221 1.909,1222 1.924,1223 1.052,1224 1.921,1225 1.68,1226 1.616,1227 1.875,1228 1.864,1229 1.024,1230 1.87,1231 1.244,1232 1.186,1233 1.573,1234 1.563,1235 0.825,1236 1.554,1237 1.197,1238 1.124,1239 1.573,1240 1.512,1241 0.825,1242 1.533,1243 1.174,1244 1.074,1245 1.54,1246 1.475,1247 0.641,1248 1.497,1249 1.153,1250 1.064,1251 1.513,1252 1.399,1253 0.576,1254 1.429,1255 4.263,1257 5.572,1259 7.089,1261 8.694,1263 10.342,1265 5.515,1271 6.749,1272 3.08,1273 11.067,1276 8.771,1280 38.627,1281 98.585,1282 196.545,1283 254.028,1284 298.17,1285 327.189,1286 329.189,1287 51.285,1288 7.824,1289 60.52,1290 60.52,1291 24,1292 12.609,1293 3.807,1294 3,1295 52.085,1296 153,1297 138,1298 0.165,1299 236.881,1300 415.41,1301 569.751,1302 29475,1304 22.501,1305 0.703,1306 0.6,1307 22.501,1308 19.212,1309 15.584,1310 0.445,1311 0.318,1312 10.906,1313 14.738,1314 10.589,1315 8.778,1316 15.584,1317 11.142,1318 13.536,1319 0.282,1320 0.172,1321 13.536,1322 8.253,1323 11.771,1324 0.184,1325 0.098,1326 11.771,1327 6.267,1328 9.596,1329 0.118,1330 0.053,1331 9.596,1332 4.306,1333 7.922,1334 0.077,1335 0.03,1336 7.922,1337 3.118,1338 0.265,1339 99.142,1340 0.206,1341 30.252,1342 0.438,1343 166,1344 470.12,1345 185.184,1346 441.812,1347 605.99,1348 418,1349 195,1350 442.192,1351 216.018,1352 447.456,1353 652.72,1354 417,1355 6.975} {0 CHEMBL196598,1 1.694,2 14.735,3 3.827,4 14.646,5 127.075,6 7.462,7 0.324,8 4.263,9 4.393,10 3.82,11 3.698,12 5.332,13 3.702,14 4.868,15 5.07,16 4.244,17 4.096,18 6.272,19 4.089,20 5.088,21 5.303,22 4.268,23 4.313,24 6.13,25 4.257,26 5.238,27 5.474,28 4.213,29 4.339,30 6.317,31 4.251,32 5.239,33 5.508,34 4.093,35 4.263,36 6.222,37 4.16,38 5.061,39 5.31,40 4.026,41 4.181,42 5.989,43 4.069,44 5.047,45 5.304,46 4.047,47 4.112,48 6.05,49 4.022,50 5.074,51 5.338,52 3.996,53 3.968,54 6.238,55 3.936,56 0.123,57 1.148,58 13.419,59 5.566,60 20.098,61 7.523,62 1.151,63 2.113,64 29.636,65 8.611,66 147.473,67 12.331,68 0.65,69 2.112,70 35.65,71 12.159,72 48.023,73 17.187,74 0.847,75 2.231,76 44.076,77 14.704,78 106.17,79 20.335,80 1.125,81 1.95,82 46.688,83 13.581,84 118.777,85 19.883,86 0.854,87 1.694,88 36.837,89 11.733,90 56.999,91 17.8,92 0.674,93 1.768,94 36.573,95 11.603,96 70.911,97 17.243,98 1.157,99 1.817,100 41.309,101 10.027,102 145.567,103 13.823,104 41,105 53,106 0.273,107 0.524,108 0.654,109 0.755,110 0.81,111 0.81,112 3.56,113 0.92,114 -3.82,115 -3.78,116 -3.59,119 37.5,124 2,125 8,131 1,140 7,141 1,142 4,157 1,169 5,171 1,172 4,174 2,176 2,178 5,181 3,182 5,186 1,189 3,193 6,195 1,202 1,203 5,206 2,214 3,215 3,225 2,226 6,229 1,231 2,237 3,242 2,248 3,249 1,254 1,256 4,259 2164,260 22.513,261 22.513,262 22.513,263 22.513,264 22.513,265 21.023,266 37.042,267 12.926,268 23.426,269 18.165,270 18.165,271 18.165,272 18.165,273 18.165,274 15.747,275 54.68,276 6.028,277 19.595,278 4.306,279 2.745,280 1.94,281 1.313,282 0.973,283 0.973,284 4.252,288 1,289 1,290 1072,291 3.937,295 506.263,302 2.355,303 46.807,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 77,315 501,316 4.445,317 4.46,318 7.111,319 4.174,320 3.315,321 3.963,322 3.825,323 11.659,324 2.901,325 4.354,326 3.692,327 6.521,328 4.007,329 3.059,330 3.854,331 1.701,332 10.269,333 2.892,334 4.056,335 3.301,336 6.168,337 3.836,338 2.903,339 3.296,340 0.86,341 9.119,342 2.689,343 3.929,344 3.097,345 6.011,346 3.647,347 2.704,348 3.166,349 0.8,350 8.573,351 2.529,352 3.585,353 2.78,354 5.351,355 3.393,356 2.461,357 2.792,358 0.8,359 6.877,360 2.292,361 3.424,362 2.451,363 5.207,364 3.154,365 2.212,366 2.527,367 0.8,368 6.41,369 2.075,370 3.162,371 2.402,372 4.923,373 2.879,374 1.969,375 2.27,376 0.563,377 5.603,378 1.789,379 3.101,380 2.298,381 4.732,382 2.819,383 1.886,384 2.18,385 0.075,386 5.205,387 1.732,388 2.77,389 2.085,390 4.364,391 2.416,392 1.456,393 1.795,395 4.078,396 1.365,397 2.5,398 1.489,399 4.028,400 2.11,401 1.139,402 1.5,404 3.162,405 1.103,406 2.468,407 1.335,408 3.941,409 2.046,410 1.093,411 1.46,413 2.989,414 1.029,415 2.341,416 1.146,417 3.414,418 2,419 1,420 1.279,422 2.275,423 1,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 2,434 1.095,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 1.794,443 1,444 3.022,445 1.511,446 0.626,447 0.703,449 1.105,450 0.547,451 15.524,452 0.457,453 1.017,454 0.03,455 39,456 1.147,457 15.5,458 0.456,459 23.5,460 0.691,461 32.164,462 0.946,463 39.676,464 0.62,465 34.341,466 1.01,467 8.096,468 0.238,469 8.145,470 0.24,471 0.141,472 0.032,473 0.296,476 3,479 0.65,480 1.339,481 0.737,482 1.319,483 0.55,484 1.108,485 0.674,486 0.789,487 0.831,488 0.825,489 0.358,490 0.845,491 0.687,492 0.902,493 0.939,494 1.076,495 0.498,496 1.072,497 0.888,498 1.039,499 1.026,500 1.199,501 0.878,502 1.172,503 0.862,504 0.741,505 0.957,506 0.866,507 0.829,508 0.926,509 0.471,510 0.678,511 0.889,512 1.047,513 0.393,514 1.096,515 0.543,516 0.963,517 0.795,518 1.138,519 0.54,520 1.064,521 1.55,522 1.063,523 1.139,524 0.82,525 1.591,526 0.833,527 8.5,528 0.21,529 4.889,530 2.188,531 1.68,532 1.326,533 0.97,534 0.698,535 0.369,536 0.235,537 18305,538 55802,539 2.035,540 46.9,542 29,545 1,550 1.755,551 1.88,552 3.799,553 -0.304,555 1,559 108.39,560 1.694,561 3.255,562 4.06,563 4.687,564 5.027,565 5.027,566 3.268,567 4.337,568 5.058,569 4.025,570 2257.82,571 8.842,572 36171.2,577 384,578 1.611,579 4.999,580 0.23,581 0.007,582 0.092,583 0.04,584 0.034,585 0.03,586 0.024,587 0.017,588 0.01,589 0.008,590 0.491,591 0.5,592 0.88,593 0.832,594 185.738,595 -0.037,596 -0.27,597 0.057,598 -0.164,599 -0.057,600 -0.054,601 0.238,602 0.255,603 0.097,604 0.161,605 0.392,606 0.108,607 -0.039,608 -0.024,609 -0.065,610 -0.061,611 0.035,612 -0.064,613 -0.072,614 -0.143,615 -0.095,616 -0.177,617 -0.042,618 -0.153,619 -0.056,620 0.024,621 0.005,622 0.077,623 -0.068,624 0.063,625 0.118,626 0.036,627 0.003,628 -0.067,629 0.035,630 -0.078,631 0.106,632 -0.193,633 0.122,634 -0.161,635 0.059,636 -0.046,637 -0.258,638 -0.049,639 -0.063,640 0.079,641 -0.199,642 0.08,643 5.596,644 5.871,645 0.706,646 42.194,647 1.017,648 1.152,649 2.588,650 6.695,651 0.631,652 3.638,653 3.989,654 4.22,655 4.419,656 4.663,657 4.754,658 4.89,659 4.898,660 4.949,661 5.094,662 8.602,663 0.61,664 477.59,665 3.638,666 5.198,667 6.043,668 6.923,669 7.782,670 8.662,671 9.527,672 10.406,673 11.274,674 12.153,675 7.8,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 1,714 64,716 13,717 2,718 37,720 67,721 24,722 12,723 5,724 7,730 4,731 4,735 1,736 1,742 1,745 13,746 11,750 1,755 1,759 1,762 3,764 30,765 10,766 1,767 10,773 5,777 1,778 2,793 4,815 1,819 4,823 2,825 3,827 34,833 8,834 1,835 1,838 4,839 1,846 3,847 3.1,850 1,852 1,854 18.083,855 11.895,856 7.361,857 3.757,858 2.149,859 1.269,860 0.974,861 7.679,862 10.13,863 3.807,864 4.331,865 4.8,866 5.256,867 5.741,868 5.909,869 6.173,870 6.225,871 6.334,872 6.592,873 0.9,874 55,875 13.036,877 5.921,878 8.037,879 23.872,881 19.616,883 2.537,884 86.25,888 341.362,889 131.193,890 30.508,892 36.145,893 44.88,895 131.193,896 377.507,897 75.388,898 19.279,899 37.981,900 66.334,901 25.145,902 81.952,903 4.276,904 341.362,905 7.76,906 341.362,907 161.701,908 81.025,911 341.362,912 81.025,915 48.865,916 112.837,919 386.242,920 66.653,921 131.193,924 349.121,925 37.821,926 98.11,927 18.011,928 81.025,929 341.362,930 111.533,931 131.193,933 0.593,934 0.339,935 0.168,936 0.093,937 25,938 12,939 0.06,940 4,942 1,943 4.473,944 309.52,946 24,947 156.219,951 24.802,952 10.528,953 6.043,955 111.533,956 10.79,961 2.489,963 18.011,964 584.089,965 44,970 12.871,974 -0.193,975 65.072,976 73.742,977 0.282,978 0.543,979 0.677,980 0.781,981 0.838,982 0.838,983 5.088,984 1.886,985 6.066,986 5.603,987 4.673,988 5.017,989 3.422,990 6.899,991 4.531,992 6.278,993 1.456,994 7.652,995 5.205,996 4.443,997 4.856,998 3.978,999 8.015,1000 4.13,1001 7.586,1002 1.139,1003 9.344,1004 4.078,1005 6.34,1006 7.077,1007 5.479,1008 11.003,1009 6.036,1010 8.924,1011 1.093,1012 11.101,1013 3.162,1014 6.889,1015 7.672,1016 6.704,1017 12.912,1018 6.404,1019 10.293,1020 1,1021 12.898,1022 2.989,1023 8.311,1024 9.442,1025 8.067,1026 15.487,1027 7.813,1028 11.684,1029 1,1030 14.725,1031 2.275,1032 9.193,1033 10.381,1034 9.392,1035 17.702,1036 8.53,1037 13.09,1038 1,1039 16.572,1040 2.275,1041 10.441,1042 11.96,1043 10.736,1044 20.158,1045 9.732,1046 3.315,1047 0.626,1048 18.437,1049 2.275,1050 11.474,1051 13.078,1052 12.075,1053 22.496,1054 10.617,1055 3.059,1056 11.659,1057 20.314,1058 1.105,1059 12.659,1060 14.562,1061 13.417,1062 24.923,1063 11.729,1064 2.903,1065 10.269,1066 22.202,1067 3.963,1068 13.761,1069 15.78,1070 14.758,1071 27.313,1072 12.695,1073 2.704,1074 9.119,1075 24.099,1076 3.854,1077 14.927,1078 17.212,1079 16.1,1080 29.737,1081 13.769,1082 2.461,1083 8.573,1084 26.004,1085 3.296,1086 16.063,1087 18.489,1088 17.441,1089 32.152,1090 14.776,1091 2.212,1092 6.877,1093 27.915,1094 3.166,1095 17.226,1096 19.892,1097 18.783,1098 34.581,1099 15.834,1100 1.969,1101 6.41,1102 29.832,1103 2.792,1104 18.379,1105 21.204,1106 20.124,1107 37.009,1108 16.863,1109 17534,1110 30972,1111 24.156,1112 40.41,1113 56.184,1114 56.138,1115 57.298,1116 55.883,1117 55.647,1118 65.571,1119 18.85,1120 163.747,1121 51.747,1122 5.445,1123 6.46,1124 6.652,1125 5.242,1126 5.315,1127 6.963,1128 5.335,1129 18.557,1130 4.901,1131 19.955,1132 1.518,1133 1.517,1134 1.549,1135 1.51,1136 1.504,1137 1.772,1138 0.509,1139 4.426,1140 1.399,1141 4.013,1142 4.057,1143 3.957,1144 3.895,1145 8.513,1146 3.903,1147 3.945,1148 3.984,1149 3.896,1150 3.847,1151 7.999,1152 3.854,1153 3.778,1154 3.841,1155 3.692,1156 3.572,1157 7.999,1158 3.589,1159 3.724,1160 3.783,1161 3.616,1162 3.548,1163 7.429,1164 3.555,1165 3.396,1166 3.442,1167 3.38,1168 3.101,1169 4.865,1170 3.156,1171 3.278,1172 3.333,1173 3.208,1174 2.989,1175 4.71,1176 3.027,1177 3.203,1178 3.302,1179 3.02,1180 2.941,1181 4.423,1182 2.94,1183 3.142,1184 3.209,1185 2.997,1186 2.941,1187 4.35,1188 2.91,1189 0.12,1190 0.121,1191 0.192,1192 0.113,1193 0.09,1194 4.445,1195 0.107,1196 4.46,1197 0.103,1198 7.111,1199 0.315,1200 4.174,1201 0.078,1202 3.315,1203 3.963,1204 3.825,1205 11.659,1206 2.901,1207 1.931,1208 1.899,1209 2.046,1210 2.082,1211 1.306,1212 2.073,1213 1.914,1214 1.884,1215 2.03,1216 2.054,1217 1.295,1218 2.05,1219 1.722,1220 1.654,1221 1.91,1222 1.931,1223 1.066,1224 1.925,1225 1.686,1226 1.622,1227 1.876,1228 1.875,1229 1.046,1230 1.877,1231 1.249,1232 1.196,1233 1.573,1234 1.572,1235 0.825,1236 1.556,1237 1.175,1238 1.085,1239 1.54,1240 1.481,1241 0.825,1242 1.498,1243 1.153,1244 1.066,1245 1.513,1246 1.443,1247 0.641,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.576,1254 1.429,1255 4.317,1257 5.659,1259 7.192,1261 8.802,1263 10.449,1265 3.742,1267 38.38,1271 5.753,1272 2.981,1273 5.535,1276 8.249,1277 -4.346,1280 39.062,1281 108.39,1282 208.325,1283 259.819,1284 299.961,1285 321.735,1286 321.735,1287 75.463,1288 7.981,1289 51.29,1290 51.29,1291 24,1292 12.692,1293 3.807,1294 3,1295 57.289,1296 177,1297 158,1298 0.156,1299 236.48,1300 424.83,1301 568.771,1302 35987,1303 4.7,1304 24.294,1305 0.715,1306 0.572,1307 21.794,1308 19.438,1309 16.241,1310 0.439,1311 0.307,1312 11.07,1313 15.249,1314 10.845,1315 8.903,1316 15.029,1317 11.341,1318 15.397,1319 0.291,1320 0.163,1321 13.439,1322 8.626,1323 12.337,1324 0.184,1325 0.096,1326 11.401,1327 6.401,1328 9.732,1329 0.119,1330 0.052,1331 9.032,1332 4.294,1333 7.87,1334 0.075,1335 0.029,1336 7.584,1337 3.079,1338 0.253,1339 104.216,1340 0.203,1341 32.028,1342 0.405,1343 180,1344 698.718,1345 213.322,1346 584.126,1347 765.05,1348 544,1349 210,1350 534.647,1351 238.282,1352 520.826,1353 780.2,1354 486,1355 6.462} {0 CHEMBL196600,1 1.664,2 11.824,3 4.936,4 24.364,5 124.036,6 7.612,7 0.324,8 4.242,9 4.363,10 3.812,11 3.721,12 5.343,13 3.718,14 4.859,15 5.05,16 4.282,17 4.137,18 6.277,19 4.13,20 5.09,21 5.286,22 4.365,23 4.353,24 6.212,25 4.318,26 5.295,27 5.513,28 4.41,29 4.421,30 6.654,31 4.356,32 5.33,33 5.59,34 4.269,35 4.364,36 6.421,37 4.273,38 5.191,39 5.431,40 4.212,41 4.301,42 6.25,43 4.231,44 5.182,45 5.406,46 4.252,47 4.313,48 6.467,49 4.228,50 5.178,51 5.431,52 4.084,53 4.256,54 6.187,55 4.154,56 0.133,57 1.182,58 12.565,59 6.171,60 23.318,61 7.631,62 1.068,63 2.23,64 28.558,65 9.807,66 154.138,67 12.887,68 0.674,69 2.36,70 34.666,71 13.041,72 62.704,73 16.969,74 1.449,75 2.946,76 46.565,77 16.473,78 223.034,79 21.073,80 1.3,81 2.284,82 50.985,83 16.072,84 163.952,85 22.524,86 1.088,87 2.158,88 43.081,89 14.083,90 126.788,91 18.81,92 1.409,93 2.132,94 41.663,95 14.173,96 183.088,97 19.38,98 0.904,99 2.104,100 42.559,101 14.372,102 117.407,103 19.619,104 86,105 56,106 0.269,107 0.572,108 0.784,109 0.828,110 0.833,111 0.833,112 3.561,113 0.919,114 -5.25,115 -5.13,116 -4.8,119 39.7,120 2,121 2,124 2,125 3,127 2,131 1,140 5,141 3,142 4,156 1,169 7,171 1,172 9,178 7,181 2,182 8,189 6,192 1,193 7,199 5,202 1,203 7,211 6,214 2,215 6,222 6,225 2,226 5,233 9,237 3,244 7,248 1,249 6,256 3,259 2022,260 21.996,261 21.996,262 21.996,263 21.996,264 21.996,265 20.425,266 33.793,267 12.245,268 22.747,269 18.113,270 18.113,271 18.113,272 18.113,273 18.113,274 15.527,275 49.534,276 5.659,277 19.328,278 4.313,279 2.437,280 1.125,281 0.854,282 0.822,283 0.822,284 4.245,288 1,289 1,290 850,291 4.123,294 80.062,295 314.838,298 142.815,302 1.855,303 61.945,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 77.5,315 402,316 4.582,317 4.476,318 7.265,319 4.278,320 3.393,321 4.153,322 3.825,323 12.29,324 3.116,325 4.515,326 3.805,327 6.761,328 4.194,329 3.237,330 4.117,331 2.015,332 11.097,333 3.031,334 4.131,335 3.396,336 6.487,337 3.961,338 3.021,339 3.394,340 0.86,341 10.085,342 2.833,343 3.951,344 3.2,345 6.224,346 3.723,347 2.778,348 3.167,349 0.8,350 8.981,351 2.615,352 3.853,353 3.117,354 6.068,355 3.577,356 2.652,357 2.943,358 0.8,359 8.623,360 2.433,361 3.546,362 2.879,363 5.604,364 3.225,365 2.253,366 2.754,367 0.625,368 7.185,369 2.159,370 3.183,371 2.45,372 5.162,373 2.879,374 1.954,375 2.336,376 0.111,377 5.944,378 1.833,379 2.896,380 2.047,381 4.879,382 2.856,383 1.879,384 2.046,386 5.225,387 1.795,388 2.879,389 1.982,390 4.798,391 2.535,392 1.595,393 1.958,395 4.925,396 1.481,397 2.849,398 1.915,399 4.521,400 2.429,401 1.459,402 1.879,404 4.304,405 1.4,406 2.72,407 1.674,408 4.017,409 2.381,410 1.414,411 1.749,413 3.176,414 1.345,415 2.332,416 1.572,417 3.851,418 2.083,419 1.101,420 1.267,422 2.915,423 1.071,424 1.972,425 1.176,426 3.739,427 1.79,428 0.853,429 0.923,431 2.222,432 0.792,433 1.515,434 0.968,435 3.11,436 1.325,437 0.37,438 0.413,440 0.865,441 0.352,442 1.431,443 0.81,444 3.016,445 1.261,446 0.368,447 0.377,449 0.64,450 0.326,451 15.51,452 0.456,453 1.252,454 0.037,455 37.5,456 1.103,457 15,458 0.441,459 22.5,460 0.662,461 37.413,462 1.1,463 39.69,464 0.63,465 34.575,466 1.017,467 7.476,468 0.22,469 8.53,470 0.251,471 0.224,472 0.032,473 0.4,476 3,477 1,479 0.583,480 1.157,481 0.703,482 1.254,483 0.542,484 1.083,485 0.597,486 0.792,487 0.708,488 0.842,489 0.392,490 0.81,491 0.719,492 0.943,493 0.89,494 1.068,495 0.598,496 1.039,497 0.785,498 0.957,499 0.987,500 1.181,501 0.752,502 1.165,503 0.7,504 0.741,505 0.825,506 0.905,507 0.619,508 0.915,509 0.879,510 0.807,511 0.957,512 0.91,513 0.799,514 0.945,515 0.565,516 0.733,517 0.928,518 1.035,519 0.47,520 1.103,521 0.748,522 0.844,523 0.934,524 1.025,525 0.687,526 1.047,527 9,528 0.236,529 5.556,530 3.507,531 2.645,532 1.597,533 1.217,534 0.717,535 0.624,536 0.407,537 15270,538 47415,539 1.984,540 46,542 19,546 2,547 8,550 1.763,551 1.782,552 3.529,553 -0.729,559 104.836,560 1.664,561 3.54,562 4.852,563 5.124,564 5.155,565 5.155,566 2.938,567 4.712,568 5.061,569 3.721,570 2087.59,571 8.888,572 31198.6,577 376.569,578 1.714,579 4.969,580 0.243,581 0.008,582 0.099,583 0.057,584 0.046,585 0.031,586 0.024,587 0.014,588 0.015,589 0.011,590 0.548,591 0.33,592 0.88,593 0.898,594 180.606,595 -0.02,596 -0.159,597 0.048,598 -0.104,599 -0.051,600 -0.029,601 0.215,602 0.188,603 0.182,604 0.168,605 0.311,606 0.168,607 -0.048,608 -0.063,609 -0.035,610 -0.055,611 0.007,612 -0.04,613 0.101,614 0.011,615 -0.052,616 -0.163,617 0.146,618 -0.163,619 0.04,620 -0.031,621 0.121,622 0.036,623 0.052,624 0.088,625 -0.072,626 0.024,627 -0.019,628 0.058,629 -0.064,630 0.047,631 0.187,632 0.06,633 -0.018,634 -0.055,635 0.2,636 -0.103,637 -0.046,638 -0.095,639 -0.011,640 -0.056,641 -0.023,642 -0.032,643 6.064,644 6.504,645 0.618,646 34.145,647 1.02,648 1.151,649 4.016,650 16.125,651 0.636,652 3.638,653 4.043,654 4.331,655 4.595,656 4.812,657 4.956,658 5.124,659 5.242,660 5.342,661 5.447,662 7.199,663 0.618,664 479.57,665 3.638,666 5.231,667 6.107,668 7.022,669 7.915,670 8.83,671 9.729,672 10.644,673 11.547,674 12.462,675 4.8,678 1,681 1,682 1,688 5,693 7,695 12,709 1,712 1,713 1,714 63,716 13,717 2,718 37,720 66,721 25,722 12,723 7,724 5,730 4,731 5,736 3,740 3,742 1,743 4,745 13,746 12,750 1,755 1,759 1,762 4,764 29,765 9,767 9,773 3,777 0.75,778 2,792 1,793 3,796 1,806 1,815 1,819 3,823 4,825 4,827 34,833 5,835 1,837 2,838 3,839 1,846 4,847 3.2,850 1,852 1,854 19.083,855 12.588,856 7.25,857 3.836,858 2.269,859 1.278,860 0.962,861 6.854,862 10.442,863 3.807,864 4.394,865 4.92,866 5.437,867 5.927,868 6.17,869 6.486,870 6.701,871 6.895,872 7.149,873 0.875,874 61,875 13.47,877 6.589,878 8.184,879 23.718,881 19.989,883 2.684,884 91.25,888 341.362,889 137.596,890 9.373,892 36.145,893 59.84,895 137.596,896 377.507,897 69.213,898 36.93,899 14.51,900 47.381,901 29.85,902 91.564,903 14.96,904 341.362,905 7.76,906 341.362,907 146.969,908 95.985,911 262.153,912 175.194,915 43.045,916 103.924,919 401.202,920 45.518,921 137.596,924 349.121,925 45.525,926 93.684,928 95.985,929 341.362,930 105.358,931 137.596,933 0.606,934 0.363,935 0.187,936 0.098,937 28,938 15,939 0.061,940 4,941 1,942 1.095,943 4.174,944 332.096,945 0.095,946 21,947 162.219,951 24.814,952 9.392,953 4.79,955 105.358,956 6.894,961 0.215,964 584.316,965 44,970 13.106,974 -0.437,975 64.265,976 72.501,977 0.278,978 0.592,979 0.812,980 0.857,981 0.863,982 0.863,983 5.124,984 1.879,985 6.168,986 5.944,987 4.727,988 5.081,989 3.461,990 7.072,991 4.607,992 6.354,993 1.595,994 7.803,995 5.225,996 4.635,997 5.085,998 4.001,999 8.263,1000 4.383,1001 7.694,1002 1.459,1003 9.541,1004 4.925,1005 6.463,1006 7.225,1007 5.523,1008 11.33,1009 6.21,1010 9.066,1011 1.414,1012 11.336,1013 4.304,1014 7.124,1015 7.975,1016 6.721,1017 13.276,1018 6.735,1019 10.467,1020 1.101,1021 13.168,1022 3.176,1023 8.512,1024 9.692,1025 8.083,1026 15.929,1027 8.104,1028 11.889,1029 0.853,1030 15.023,1031 2.915,1032 9.478,1033 10.772,1034 9.398,1035 18.175,1036 8.95,1037 13.327,1038 0.37,1039 16.897,1040 2.222,1041 10.722,1042 12.327,1043 10.741,1044 20.699,1045 10.151,1046 3.393,1047 0.368,1048 18.784,1049 0.865,1050 11.813,1051 13.569,1052 12.077,1053 23.073,1054 11.14,1055 3.237,1056 12.29,1057 20.683,1058 0.64,1059 13.011,1060 15.052,1061 13.418,1062 25.558,1063 12.278,1064 3.021,1065 11.097,1066 22.59,1067 4.153,1068 14.156,1069 16.376,1070 14.759,1071 27.989,1072 13.331,1073 2.778,1074 10.085,1075 24.506,1076 4.117,1077 15.343,1078 17.826,1079 16.1,1080 30.466,1081 14.448,1082 2.652,1083 8.981,1084 26.428,1085 3.394,1086 16.512,1087 19.193,1088 17.441,1089 32.925,1090 15.531,1091 2.253,1092 8.623,1093 28.356,1094 3.167,1095 17.699,1096 20.627,1097 18.783,1098 35.404,1099 16.642,1100 1.954,1101 7.185,1102 30.289,1103 2.943,1104 18.882,1105 22.017,1106 20.125,1107 37.879,1108 17.74,1109 14893,1110 26723,1111 23.293,1112 40.097,1113 57.453,1114 58.055,1115 60.217,1116 57.15,1117 56.935,1118 67.287,1119 18.072,1120 177.595,1121 53.419,1122 5.582,1123 6.476,1124 6.787,1125 5.345,1126 5.393,1127 7.153,1128 5.339,1129 20.012,1130 5.116,1131 23.45,1132 1.553,1133 1.569,1134 1.627,1135 1.545,1136 1.539,1137 1.819,1138 0.488,1139 4.8,1140 1.444,1141 4.067,1142 4.102,1143 4.02,1144 3.962,1145 8.513,1146 3.971,1147 3.947,1148 3.973,1149 3.917,1150 3.866,1151 8.2,1152 3.871,1153 3.843,1154 3.906,1155 3.74,1156 3.673,1157 7.999,1158 3.68,1159 3.547,1160 3.583,1161 3.494,1162 3.353,1163 7.999,1164 3.376,1165 3.385,1166 3.452,1167 3.339,1168 3.217,1169 7.427,1170 3.197,1171 3.367,1172 3.434,1173 3.155,1174 3.186,1175 4.854,1176 3.19,1177 3.232,1178 3.311,1179 3.151,1180 2.97,1181 4.59,1182 3.008,1183 3.221,1184 3.275,1185 3.037,1186 2.943,1187 4.441,1188 2.952,1189 0.124,1190 0.121,1191 0.196,1192 0.116,1193 0.092,1194 4.582,1195 0.112,1196 4.476,1197 0.103,1198 7.265,1199 0.332,1200 4.278,1201 0.084,1202 3.393,1203 4.153,1204 3.825,1205 12.29,1206 3.116,1207 1.935,1208 1.912,1209 2.055,1210 2.08,1211 1.36,1212 2.076,1213 1.913,1214 1.886,1215 2.01,1216 2.025,1217 1.184,1218 2.018,1219 1.768,1220 1.713,1221 1.925,1222 1.917,1223 1.171,1224 1.919,1225 1.538,1226 1.485,1227 1.742,1228 1.761,1229 0.991,1230 1.753,1231 1.405,1232 1.325,1233 1.733,1234 1.606,1235 0.97,1236 1.655,1237 1.316,1238 1.266,1239 1.578,1240 1.552,1241 0.719,1242 1.557,1243 1.188,1244 1.12,1245 1.55,1246 1.497,1247 0.641,1248 1.51,1249 1.16,1250 1.065,1251 1.508,1252 1.447,1253 0.575,1254 1.457,1255 4.317,1257 5.7,1258 2.398,1259 7.27,1260 4.727,1261 8.926,1262 6.843,1263 10.626,1265 8.02,1267 53.748,1271 2.118,1273 5.658,1275 0.645,1276 6.096,1277 -4.814,1280 38.929,1281 104.836,1282 223.046,1283 305.675,1284 322.794,1285 324.794,1286 324.794,1287 99.141,1288 8.173,1289 36.02,1290 36.02,1291 23,1292 12.976,1293 3.807,1294 3,1295 56.796,1296 147,1297 130,1298 0.189,1299 233.682,1300 426.2,1301 561.944,1302 41486,1303 6.3,1304 24.784,1305 0.729,1306 0.581,1307 21.413,1308 19.747,1309 16.006,1310 0.433,1311 0.306,1312 11.093,1313 15.085,1314 10.756,1315 8.858,1316 14.367,1317 11.336,1318 15.749,1319 0.281,1320 0.164,1321 13.365,1322 9.17,1323 13.042,1324 0.174,1325 0.093,1326 11.537,1327 7.003,1328 10.72,1329 0.109,1330 0.05,1331 9.533,1332 4.868,1333 8.238,1334 0.068,1335 0.027,1336 7.429,1337 3.258,1338 0.295,1339 102.581,1340 0.207,1341 31.033,1342 0.525,1343 186,1344 760.851,1345 219.518,1346 618.827,1347 805.03,1348 574,1349 224,1350 561.318,1351 252.637,1352 543.032,1353 820.07,1354 507,1355 6.9} {0 CHEMBL196666,1 1.484,2 15.65,3 4.873,4 23.746,5 155.533,6 7.17,7 0.511,8 4.415,9 4.535,10 3.964,11 3.954,12 5.468,13 3.93,14 4.979,15 5.162,16 4.356,17 4.368,18 5.962,19 4.33,20 5.214,21 5.412,22 4.428,23 4.55,24 6.188,25 4.48,26 5.35,27 5.571,28 4.435,29 4.614,30 6.314,31 4.523,32 5.369,33 5.582,34 4.392,35 4.618,36 6.312,37 4.513,38 5.392,39 5.639,40 4.321,41 4.59,42 6.259,43 4.465,44 5.351,45 5.602,46 4.232,47 4.503,48 6.218,49 4.372,50 5.24,51 5.493,52 4.186,53 4.385,54 6.19,55 4.28,56 0.08,57 1.1,58 16.16,59 6.953,60 13.861,61 9.324,62 0.341,63 1.83,64 31.112,65 11.49,66 31.053,67 16.004,68 0.409,69 2.259,70 39.961,71 14.614,72 41.789,73 20.408,74 0.418,75 2.458,76 47.064,77 17.402,78 60.394,79 24.261,80 0.483,81 2.436,82 48.149,83 18.33,84 63.859,85 25.073,86 0.529,87 2.473,88 50.393,89 18.566,90 58.775,91 26.381,92 0.561,93 2.318,94 49.032,95 17.931,96 61.311,97 25.355,98 0.412,99 2.114,100 43.848,101 14.979,102 66.373,103 21.487,104 38,105 66,106 0.227,107 0.554,108 0.739,109 0.812,110 0.836,111 0.836,112 3.717,113 0.924,114 -6,115 -5.85,116 -5.44,119 42.7,120 4,121 1,124 1,125 3,127 2,140 9,141 6,142 3,147 1,156 1,159 1,164 1,169 16,171 3,172 11,176 2,178 20,181 1,182 16,184 1,189 19,192 1,193 15,199 18,202 1,203 10,208 1,211 21,214 1,215 9,218 1,220 1,222 17,225 1,226 14,229 1,231 1,233 10,237 16,242 1,244 7,249 11,252 1,254 1,256 11,259 3260,260 27.005,261 27.005,262 27.005,263 27.005,264 27.005,265 24.242,266 32.165,267 15.394,268 27.523,269 22.134,270 22.134,271 22.134,272 22.134,273 22.134,274 17.754,275 47.26,276 7.229,277 22.878,278 4.745,279 2.612,280 1.404,281 0.924,282 0.77,283 0.77,284 4.428,290 1389,291 3.391,294 230.636,295 523.524,298 180.918,302 2.55,303 30.694,306 0.5,307 0.5,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.7,314 85.5,315 626,316 4.535,317 3.757,318 6.807,319 4.216,320 3.251,321 4.165,322 1.2,323 11.229,324 3.138,325 4.437,326 3.351,327 6.498,328 4.06,329 3.068,330 4.136,331 0.86,332 10.149,333 3.044,334 4.247,335 3.111,336 6.474,337 3.93,338 2.974,339 3.851,340 0.8,341 10.052,342 2.852,343 4.147,344 3.01,345 6.149,346 3.788,347 2.821,348 3.627,349 0.4,350 9.092,351 2.721,352 3.921,353 2.857,354 6.009,355 3.64,356 2.659,357 3.297,358 0.293,359 8.479,360 2.6,361 3.666,362 2.745,363 5.515,364 3.416,365 2.457,366 3.044,368 7.297,369 2.347,370 3.585,371 2.41,372 5.213,373 3.234,374 2.249,375 2.707,377 6.358,378 2.211,379 3.349,380 2.318,381 5.112,382 2.992,383 2.019,384 2.598,386 6.046,387 1.968,388 3.167,389 2.196,390 4.952,391 2.856,392 1.893,393 2.337,395 5.511,396 1.833,397 2.932,398 1.982,399 4.86,400 2.851,401 1.879,402 2.039,404 5.048,405 1.807,406 2.879,407 1.932,408 4.618,409 2.601,410 1.649,411 1.879,413 4.963,414 1.56,415 2.762,416 1.811,417 4.383,418 2.377,419 1.401,420 1.868,422 4.014,423 1.363,424 2.625,425 1.535,426 4.114,427 2.303,428 1.322,429 1.646,431 3.395,432 1.295,433 2.566,434 1.405,435 3.979,436 2.124,437 1.149,438 1.586,440 3.21,441 1.116,442 2.5,443 1.154,444 3.699,445 2,446 1,447 1.5,449 2.275,450 1,451 19,452 0.475,453 1.13,454 0.028,455 51.5,456 1.288,457 25,458 0.625,459 26.5,460 0.663,461 40.779,462 1.019,463 42.8,464 0.571,465 42.873,466 1.072,467 9.929,468 0.248,469 9.371,470 0.234,471 0.149,473 0.411,479 0.735,480 1.332,481 0.798,482 1.118,483 0.637,484 0.99,485 0.912,486 1.052,487 0.793,488 0.871,489 0.588,490 0.819,491 1.026,492 1.039,493 1.024,494 0.995,495 0.844,496 0.996,497 1.031,498 0.996,499 1.007,500 1.02,501 1.26,502 1.006,503 1.155,504 1.087,505 1.096,506 1.111,507 1.304,508 1.108,509 0.869,510 0.964,511 1.001,512 1.016,513 0.811,514 1.024,515 0.928,516 1.014,517 0.984,518 1.027,519 0.801,520 1.022,521 1.094,522 1.001,523 0.975,524 0.971,525 1.515,526 0.952,527 9,528 0.287,529 5.333,530 3.417,531 2.703,532 1.782,533 1.328,534 0.772,535 0.496,536 0.332,537 29087,538 67650,539 2.12,540 46.7,541 3,542 20,545 1,546 3,547 8,550 1.797,551 1.967,552 3.889,553 -0.417,559 111.272,560 1.484,561 3.617,562 4.825,563 5.305,564 5.458,565 5.458,566 3.378,567 4.972,568 5.292,569 4.107,570 3203.67,571 9.321,572 56203.8,577 467.161,578 1.458,579 5.247,580 0.2,581 0.007,582 0.081,583 0.05,584 0.04,585 0.028,586 0.023,587 0.015,588 0.01,589 0.007,590 0.459,591 0.17,592 0.63,593 0.677,594 227.522,595 0.082,596 -0.15,597 0.081,598 -0.053,599 -0.007,600 0.001,601 0.067,602 0.065,603 0.154,604 0.129,605 0.115,606 0.148,607 -0.075,608 0.058,609 -0.073,610 -0.003,612 -0.028,613 -0.074,614 0.03,615 -0.039,616 -0.022,617 -0.036,618 -0.021,619 -0.093,620 -0.1,621 -0.124,622 -0.095,623 -0.134,624 -0.114,625 0.005,626 0.011,627 -0.026,628 -0.019,629 -0.018,630 -0.024,631 0.035,632 -0.074,633 0.007,634 -0.03,635 0.1,636 -0.02,637 -0.07,638 -0.018,639 0.027,640 -0.004,641 -0.004,642 0.025,643 1.65,644 6.722,645 0.8,646 53.125,647 0.997,648 1.125,649 4.766,650 22.714,651 0.664,652 3.829,653 4.205,654 4.522,655 4.828,656 5.056,657 5.22,658 5.407,659 5.561,660 5.666,661 5.799,662 9.105,663 0.629,664 537.72,665 3.829,666 5.407,667 6.286,668 7.191,669 8.083,670 8.991,671 9.889,672 10.798,673 11.699,674 12.609,675 6.7,677 1,681 1,682 1,685 2,688 9,689 2,691 1,693 11,695 23,703 1,709 1,712 1,714 75,716 24,717 3,718 45,720 80,721 32,722 20,723 9,724 9,725 1,730 6,731 7,736 4,740 3,743 3,745 21,746 11,750 1,755 1,759 1,764 35,765 8,766 1,767 8,773 5,777 0.833,778 3,792 2,793 4,796 1,814 1,819 5,823 5,827 40,833 4,834 1,835 1,837 2,838 2,847 4,850 1,852 2,854 20.333,855 15.217,856 8.583,857 4.675,858 4.184,859 1.456,860 0.995,861 7.218,862 13.356,863 4.069,864 4.689,865 5.291,866 5.874,867 6.385,868 6.736,869 7.184,870 7.555,871 7.902,872 8.296,873 1,874 69,875 14.826,877 6.376,878 7.579,879 28.841,881 24.326,883 2.079,884 83.167,888 400.217,889 182.245,890 60.642,892 45.879,895 182.245,896 446.096,897 60.642,898 46.184,899 11.976,900 103.297,901 71.252,902 56.057,904 400.217,906 400.217,907 242.886,908 45.879,911 308.377,912 140.048,915 70.308,916 133.869,917 36.382,919 400.217,920 106.52,921 182.245,924 400.217,925 50.775,926 137.719,927 18.011,928 82.261,929 400.217,930 106.52,931 182.245,933 0.594,934 0.356,935 0.198,936 0.105,937 34,938 16,939 0.063,940 5,941 1,942 1.063,943 4.927,944 417.062,945 0.063,946 32,947 200.877,951 26.703,952 10.813,953 5.206,955 106.52,956 18.28,957 8.347,959 5.123,961 10.022,963 18.011,964 688.983,965 57.5,970 13.722,974 0.017,975 74.745,976 84.348,977 0.238,978 0.581,979 0.775,980 0.852,981 0.876,982 0.876,983 5.346,984 2.019,985 6.297,986 6.358,987 4.89,988 5.378,989 1.893,990 7.152,991 4.83,992 6.562,993 1.893,994 7.886,995 6.046,996 4.575,997 5.223,998 0.57,999 8.109,1000 4.487,1001 7.881,1002 1.879,1003 9.569,1004 5.511,1005 6.535,1006 7.558,1007 1.815,1008 11.225,1009 6.417,1010 9.232,1011 1.649,1012 11.307,1013 5.048,1014 7.013,1015 8.205,1016 0.801,1017 12.988,1018 6.865,1019 10.614,1020 1.401,1021 13.08,1022 4.963,1023 8.459,1024 10.027,1025 1.914,1026 15.623,1027 8.285,1028 12.017,1029 1.322,1030 14.877,1031 4.014,1032 9.292,1033 11.043,1034 1.074,1035 17.725,1036 9.087,1037 13.437,1038 1.149,1039 16.692,1040 3.395,1041 10.541,1042 12.647,1043 2.092,1044 20.191,1045 10.312,1046 3.251,1047 1,1048 18.521,1049 3.21,1050 11.538,1051 13.847,1052 1.404,1053 22.442,1054 11.278,1055 3.068,1056 11.229,1057 20.361,1058 2.275,1059 12.712,1060 15.351,1061 2.32,1062 24.847,1063 12.426,1064 2.974,1065 10.149,1066 22.209,1067 4.165,1068 13.784,1069 16.647,1070 1.768,1071 27.166,1072 13.468,1073 2.821,1074 10.052,1075 24.064,1076 4.136,1077 14.932,1078 18.102,1079 2.581,1080 29.552,1081 14.589,1082 2.659,1083 9.092,1084 25.924,1085 3.851,1086 16.04,1087 19.45,1088 2.15,1089 31.905,1090 15.668,1091 2.457,1092 8.479,1093 27.79,1094 3.627,1095 17.181,1096 20.881,1097 2.867,1098 34.288,1099 16.781,1100 2.249,1101 7.297,1102 29.66,1103 3.297,1104 18.308,1105 22.257,1106 2.538,1107 36.659,1108 17.879,1109 26773,1110 41092,1111 30.054,1112 49.813,1113 69.753,1114 70.455,1115 71.774,1116 68.731,1117 68.782,1118 87.159,1119 7.106,1120 206.784,1121 66.698,1122 5.535,1123 5.757,1124 6.329,1125 5.283,1126 5.251,1127 7.165,1128 2.293,1129 18.637,1130 5.138,1131 21.738,1132 1.55,1133 1.566,1134 1.595,1135 1.527,1136 1.528,1137 1.937,1138 0.158,1139 4.595,1140 1.482,1141 4.092,1142 4.122,1143 4.047,1144 4.015,1145 7.428,1146 4.017,1147 4.002,1148 4.03,1149 3.961,1150 3.922,1151 5.295,1152 3.927,1153 3.87,1154 3.912,1155 3.826,1156 3.754,1157 4.86,1158 3.761,1159 3.808,1160 3.86,1161 3.707,1162 3.643,1163 4.781,1164 3.647,1165 3.684,1166 3.714,1167 3.627,1168 3.467,1169 4.545,1170 3.51,1171 3.473,1172 3.521,1173 3.381,1174 3.289,1175 4.455,1176 3.301,1177 3.367,1178 3.452,1179 3.151,1180 3.217,1181 4.399,1182 3.19,1183 3.197,1184 3.279,1185 3.101,1186 3.049,1187 3.934,1188 3.047,1189 0.101,1190 0.083,1191 0.151,1192 0.094,1193 0.072,1194 4.535,1195 0.093,1196 3.757,1197 0.027,1198 6.807,1199 0.25,1200 4.216,1201 0.07,1202 3.251,1203 4.165,1204 1.2,1205 11.229,1206 3.138,1207 2.013,1208 1.994,1209 2.098,1210 2.08,1211 1.331,1212 2.084,1213 1.922,1214 1.894,1215 2.046,1216 2.062,1217 1.245,1218 2.063,1219 1.805,1220 1.78,1221 1.924,1222 1.921,1223 1.166,1224 1.921,1225 1.746,1226 1.689,1227 1.909,1228 1.882,1229 1.042,1230 1.891,1231 1.486,1232 1.424,1233 1.733,1234 1.701,1235 0.97,1236 1.704,1237 1.436,1238 1.38,1239 1.715,1240 1.687,1241 0.953,1242 1.686,1243 1.405,1244 1.325,1245 1.695,1246 1.606,1247 0.736,1248 1.655,1249 1.261,1250 1.21,1251 1.568,1252 1.523,1253 0.621,1254 1.535,1255 4.511,1257 5.872,1258 3.045,1259 7.42,1260 5.352,1261 9.053,1262 7.402,1263 10.733,1265 9.975,1271 3.261,1272 3.592,1273 5.796,1275 0.752,1276 4.281,1280 47.153,1281 111.272,1282 271.251,1283 361.838,1284 397.877,1285 409.387,1286 409.387,1287 65.439,1288 9.172,1289 83.73,1290 83.73,1291 34,1292 13.126,1293 4.644,1294 3.755,1295 57.581,1296 220,1297 236,1298 0.126,1299 284.196,1300 494.09,1301 685.199,1302 152959,1304 27.966,1305 0.699,1306 0.592,1307 27.966,1308 23.693,1309 19.3,1310 0.429,1311 0.308,1312 13.676,1313 18.564,1314 13.171,1315 10.963,1316 19.3,1317 13.86,1318 18.073,1319 0.274,1320 0.166,1321 18.073,1322 10.977,1323 15.646,1324 0.172,1325 0.087,1326 15.646,1327 7.874,1328 13.69,1329 0.11,1330 0.049,1331 13.69,1332 6.04,1333 10.675,1334 0.068,1335 0.026,1336 10.675,1337 3.985,1338 0.203,1339 120.784,1340 0.182,1341 36.213,1342 0.332,1343 222,1344 588.12,1345 241.793,1346 568.592,1347 800.37,1348 536,1349 268,1350 618.05,1351 289.321,1352 624.649,1353 917.87,1354 587,1355 6.6} {0 CHEMBL196848,1 1.365,2 13.171,3 5.758,4 33.155,5 143.475,6 6.71,7 0.462,8 4.323,9 4.449,10 3.816,11 3.878,12 5.314,13 3.833,14 4.902,15 5.099,16 4.2,17 4.296,18 5.801,19 4.237,20 5.156,21 5.358,22 4.334,23 4.514,24 6.073,25 4.427,26 5.332,27 5.556,28 4.304,29 4.588,30 6.247,31 4.464,32 5.41,33 5.674,34 4.233,35 4.559,36 6.244,37 4.416,38 5.285,39 5.538,40 4.175,41 4.482,42 6.111,43 4.344,44 5.242,45 5.496,46 4.099,47 4.4,48 6.088,49 4.259,50 5.165,51 5.424,52 4.044,53 4.291,54 6.071,55 4.172,56 0.058,57 0.986,58 16.027,59 6.779,60 11.762,61 9.398,62 0.302,63 1.674,64 30.258,65 10.952,66 25.122,67 15.746,68 0.364,69 2.122,70 38.948,71 14.689,72 33.139,73 20.935,74 0.374,75 2.38,76 47.014,77 18.203,78 53.719,79 25.572,80 0.528,81 2.436,82 52.095,83 19.322,84 63.739,85 27.46,86 0.46,87 2.211,88 45.42,89 17.162,90 47.759,91 24.554,92 0.483,93 2.091,94 43.761,95 16.314,96 50.68,97 23.23,98 0.411,99 1.927,100 41.001,101 14.172,102 57.664,103 20.296,104 38,105 57,106 0.214,107 0.512,108 0.731,109 0.808,110 0.83,111 0.83,112 3.589,113 0.964,114 -5.61,115 -5.48,116 -5.11,119 42.9,120 3,121 1,124 2,125 3,127 2,140 10,141 5,142 3,156 1,169 16,171 1,172 9,178 20,181 2,182 10,189 19,192 1,193 9,199 17,202 1,203 5,211 19,214 2,215 6,222 15,225 2,226 10,233 8,237 11,244 6,248 1,249 8,256 9,259 2241,260 23.593,261 23.593,262 23.593,263 23.593,264 23.593,265 21.386,266 29.931,267 13.413,268 24.057,269 19.105,270 19.105,271 19.105,272 19.105,273 19.105,274 15.625,275 44.539,276 6.218,277 19.747,278 4.764,279 2.858,280 1.459,281 0.963,282 0.825,283 0.825,284 4.291,289 1,290 1007,291 3.24,294 83.25,295 442.377,298 148.737,302 2.119,303 22.624,306 0.75,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.87,314 73.5,315 461,316 4.535,317 3.757,318 6.808,319 4.219,320 3.255,321 4.159,322 1.2,323 11.234,324 3.138,325 4.373,326 3.391,327 6.525,328 4.02,329 3.053,330 4.042,331 0.86,332 10.221,333 3,334 4.202,335 3.154,336 6.448,337 3.962,338 2.985,339 3.66,340 0.8,341 9.93,342 2.869,343 3.987,344 3.043,345 6.241,346 3.768,347 2.802,348 3.296,349 0.8,350 9.048,351 2.712,352 3.808,353 2.889,354 5.992,355 3.52,356 2.546,357 2.95,358 0.293,359 8.359,360 2.458,361 3.524,362 2.454,363 5.29,364 3.13,365 2.145,366 2.859,368 6.423,369 2.119,370 3.244,371 2.319,372 5.107,373 2.941,374 1.999,375 2.427,377 5.861,378 1.876,379 2.977,380 1.982,381 4.952,382 2.856,383 1.879,384 2.096,386 5.252,387 1.833,388 2.879,389 1.951,390 4.879,391 2.649,392 1.692,393 2.01,395 5.225,396 1.608,397 2.86,398 1.828,399 4.436,400 2.415,401 1.438,402 1.879,404 4.139,405 1.414,406 2.714,407 1.571,408 3.95,409 2.414,410 1.414,411 1.748,413 3.158,414 1.401,415 2.577,416 1.494,417 3.775,418 2.147,419 1.154,420 1.607,422 2.837,423 1.143,424 2.5,425 1.176,426 3.634,427 2,428 1,429 1.5,431 2.303,432 1,433 2.23,434 1.11,435 3.56,436 1.89,437 0.9,438 1.082,440 2.275,441 0.885,442 1.967,443 1,444 3.414,445 1.731,446 0.767,447 0.899,449 1.911,450 0.728,451 16.867,452 0.482,453 0.977,454 0.028,455 43.5,456 1.243,457 21,458 0.6,459 22.5,460 0.643,461 35.989,462 1.028,463 37.733,464 0.539,465 35.115,466 1.003,467 8.4,468 0.24,469 8.467,470 0.242,471 0.168,473 0.397,479 0.785,480 1.393,481 0.871,482 1.156,483 0.638,484 1.04,485 1.155,486 0.995,487 0.879,488 0.816,489 0.629,490 0.808,491 1.021,492 1.054,493 1.036,494 1.024,495 0.762,496 1.019,497 1.126,498 1.137,499 1.111,500 1.16,501 1.322,502 1.138,503 1.215,504 0.919,505 0.971,506 0.915,507 1.242,508 0.923,509 0.965,510 0.99,511 0.986,512 0.996,513 0.821,514 0.993,515 1.046,516 1.048,517 1.002,518 1.037,519 0.854,520 1.021,521 1.511,522 0.975,523 1.005,524 0.915,525 1.723,526 0.908,527 7,528 0.25,529 5.333,530 3.069,531 2.373,532 1.521,533 1.144,534 0.768,535 0.507,536 0.296,537 18374,538 37250,539 2.089,540 50,541 3,542 24,547 8,550 1.767,551 1.927,552 3.656,553 -0.85,559 95.563,560 1.365,561 3.272,562 4.671,563 5.167,564 5.304,565 5.304,566 3.087,567 4.651,568 5.099,569 3.844,570 2287.31,571 8.955,572 35264.2,577 429.05,578 1.489,579 5.047,580 0.179,581 0.007,582 0.094,583 0.049,584 0.041,585 0.028,586 0.022,587 0.017,588 0.012,589 0.008,590 0.456,591 0.33,592 0.63,593 0.729,594 188.845,595 0.041,596 -0.211,597 0.081,598 -0.073,599 -0.028,600 -0.008,601 -0.017,602 0.143,603 0.121,604 0.176,605 0.049,606 0.165,607 -0.004,608 0.061,609 -0.051,610 -0.024,611 0.058,612 -0.036,613 -0.049,614 -0.113,615 -0.125,616 -0.157,617 -0.047,618 -0.149,619 -0.032,620 0.038,621 0.033,622 0.06,623 -0.069,624 0.052,625 0.056,627 0.002,628 -0.011,629 0.007,630 -0.01,631 0.095,632 -0.073,633 -0.003,634 -0.06,635 0.114,636 -0.044,637 -0.099,638 0.014,639 0.024,640 0.033,641 -0.011,642 0.041,643 1.615,644 6.588,645 0.771,646 40.261,647 0.987,648 1.122,649 4.375,650 19.141,651 0.659,652 3.689,653 4.06,654 4.394,655 4.663,656 4.913,657 5.063,658 5.247,659 5.398,660 5.497,661 5.624,662 7.698,663 0.613,664 469.68,665 3.689,666 5.263,667 6.146,668 7.047,669 7.944,670 8.849,671 9.752,672 10.66,673 11.565,674 12.475,675 4.3,678 1,681 1,682 1,688 10,693 8,695 18,703 1,709 1,712 1,714 70,716 19,717 3,718 39,720 74,721 30,722 18,723 8,724 10,725 1,730 5,731 6,736 3,740 3,743 3,745 19,746 11,750 1,755 1,759 1,764 35,765 5,767 5,773 3,777 0.8,778 2,792 1,793 4,796 1,815 1,819 4,823 5,827 35,833 4,835 1,837 2,838 3,847 2.9,850 1,852 1,854 18.167,855 14.183,856 7.611,857 4.36,858 3.329,859 1.389,860 0.984,861 6.608,862 11.894,863 3.912,864 4.505,865 5.095,866 5.637,867 6.178,868 6.458,869 6.87,870 7.2,871 7.476,872 7.814,873 0.889,874 63,875 13.01,877 5.541,878 7.505,879 25.61,881 21.648,883 2.005,884 70.167,888 411.989,889 180.759,890 9.373,892 36.145,895 180.759,896 448.133,897 9.373,898 45.755,899 11.976,900 94.762,901 29.85,902 43.933,904 411.989,906 411.989,907 190.132,908 36.145,911 317.82,912 130.314,915 41.576,916 148.556,919 411.989,920 45.518,921 180.759,924 411.989,925 40.241,926 149.89,928 36.145,929 411.989,930 45.518,931 180.759,933 0.594,934 0.368,935 0.194,936 0.103,937 29,938 14,939 0.054,940 4,941 1,942 1.074,943 4.434,944 348.394,945 0.074,946 27,947 167.525,951 23.902,952 9.676,953 4.458,955 45.518,956 20.662,961 8.427,964 638.265,965 49,970 13.588,974 0.052,975 69.098,976 78.557,977 0.223,978 0.534,979 0.762,980 0.843,981 0.865,982 0.865,983 5.19,984 1.879,985 6.159,986 5.861,987 4.745,988 5.193,989 1.985,990 7.026,991 4.684,992 6.397,993 1.692,994 7.761,995 5.252,996 4.443,997 5.017,998 0.766,999 8.023,1000 4.344,1001 7.712,1002 1.438,1003 9.461,1004 5.225,1005 6.402,1006 7.343,1007 1.879,1008 11.145,1009 6.279,1010 9.062,1011 1.414,1012 11.216,1013 4.139,1014 6.909,1015 7.966,1016 0.931,1017 12.934,1018 6.744,1019 10.443,1020 1.154,1021 13.005,1022 3.158,1023 8.352,1024 9.793,1025 1.952,1026 15.577,1027 8.165,1028 11.846,1029 1,1030 14.818,1031 2.837,1032 9.21,1033 10.785,1034 1.142,1035 17.689,1036 8.983,1037 13.265,1038 0.9,1039 16.646,1040 2.303,1041 10.46,1042 12.401,1043 2.113,1044 20.163,1045 10.209,1046 3.255,1047 0.767,1048 18.486,1049 2.275,1050 11.475,1051 13.58,1052 1.436,1053 22.418,1054 11.185,1055 3.053,1056 11.234,1057 20.336,1058 1.911,1059 12.652,1060 15.094,1061 2.33,1062 24.829,1063 12.336,1064 2.985,1065 10.221,1066 22.192,1067 4.159,1068 13.736,1069 16.374,1070 1.783,1071 27.15,1072 13.383,1073 2.802,1074 9.93,1075 24.054,1076 4.042,1077 14.889,1078 17.836,1079 2.586,1080 29.54,1081 14.506,1082 2.546,1083 9.048,1084 25.921,1085 3.66,1086 16.005,1087 19.172,1088 2.156,1089 31.895,1090 15.587,1091 2.145,1092 8.359,1093 27.791,1094 3.296,1095 17.15,1096 20.607,1097 2.87,1098 34.28,1099 16.701,1100 1.999,1101 6.423,1102 29.665,1103 2.95,1104 18.283,1105 21.976,1106 2.541,1107 36.653,1108 17.799,1109 17264,1110 24758,1111 25.778,1112 46.108,1113 59.835,1114 61.054,1115 62.582,1116 59.364,1117 59.407,1118 73.89,1119 7.906,1120 179.061,1121 57.621,1122 5.535,1123 5.757,1124 6.493,1125 5.286,1126 5.255,1127 7.159,1128 2.293,1129 18.642,1130 5.138,1131 19.603,1132 1.534,1133 1.565,1134 1.605,1135 1.522,1136 1.523,1137 1.895,1138 0.203,1139 4.591,1140 1.477,1141 4.083,1142 4.115,1143 4.034,1144 4.004,1145 7.428,1146 4.005,1147 3.982,1148 4.009,1149 3.93,1150 3.917,1151 4.865,1152 3.918,1153 3.851,1154 3.912,1155 3.758,1156 3.72,1157 4.807,1158 3.719,1159 3.766,1160 3.796,1161 3.69,1162 3.664,1163 4.581,1164 3.667,1165 3.484,1166 3.533,1167 3.394,1168 3.3,1169 4.441,1170 3.313,1171 3.367,1172 3.452,1173 3.151,1174 3.217,1175 4.393,1176 3.19,1177 3.225,1178 3.311,1179 3.108,1180 3.042,1181 3.96,1182 3.044,1183 3.182,1184 3.257,1185 3.034,1186 3.006,1187 3.903,1188 2.992,1189 0.116,1190 0.096,1191 0.175,1192 0.108,1193 0.083,1194 4.535,1195 0.107,1196 3.757,1197 0.031,1198 6.808,1199 0.288,1200 4.219,1201 0.08,1202 3.255,1203 4.159,1204 1.2,1205 11.234,1206 3.138,1207 2.007,1208 1.987,1209 2.102,1210 2.083,1211 1.36,1212 2.084,1213 1.925,1214 1.895,1215 2.054,1216 2.064,1217 1.232,1218 2.07,1219 1.794,1220 1.764,1221 1.93,1222 1.926,1223 1.171,1224 1.927,1225 1.763,1226 1.711,1227 1.912,1228 1.879,1229 1.033,1230 1.89,1231 1.483,1232 1.418,1233 1.733,1234 1.687,1235 0.97,1236 1.702,1237 1.405,1238 1.325,1239 1.716,1240 1.606,1241 0.95,1242 1.655,1243 1.229,1244 1.175,1245 1.568,1246 1.522,1247 0.651,1248 1.535,1249 1.208,1250 1.128,1251 1.552,1252 1.466,1253 0.604,1254 1.491,1255 4.369,1257 5.727,1258 2.398,1259 7.286,1260 4.727,1261 8.932,1262 6.843,1263 10.623,1265 10.57,1271 3.402,1273 5.808,1275 0.891,1276 6.767,1280 42.923,1281 95.563,1282 229.005,1283 326.937,1284 361.666,1285 371.275,1286 371.275,1287 57.653,1288 8.565,1289 36.02,1290 36.02,1291 29,1292 12.991,1293 4.322,1294 3.459,1295 52.262,1296 161,1297 165,1298 0.157,1299 260.675,1300 457.24,1301 627.807,1302 69539,1304 24.69,1305 0.705,1306 0.612,1307 24.69,1308 21.415,1309 16.867,1310 0.432,1311 0.321,1312 12.386,1313 16.353,1314 11.872,1315 9.905,1316 16.867,1317 12.528,1318 15.473,1319 0.271,1320 0.176,1321 15.473,1322 10.02,1323 14.074,1324 0.176,1325 0.098,1326 14.074,1327 7.809,1328 11.499,1329 0.11,1330 0.052,1331 11.499,1332 5.471,1333 9.212,1334 0.068,1335 0.027,1336 9.212,1337 3.71,1338 0.248,1339 104.632,1340 0.197,1341 32.104,1342 0.429,1343 192,1344 454.406,1345 204.67,1346 444.515,1347 626.52,1348 420,1349 233,1350 474.985,1351 247.585,1352 488.215,1353 719.01,1354 458,1355 7.8} {0 CHEMBL196951,1 1.411,2 14.162,3 4.962,4 24.621,5 148.583,6 6.912,7 0.439,8 4.353,9 4.475,10 3.863,11 3.912,12 5.382,13 3.873,14 4.926,15 5.113,16 4.253,17 4.327,18 5.889,19 4.274,20 5.187,21 5.384,22 4.372,23 4.526,24 6.189,25 4.447,26 5.321,27 5.54,28 4.364,29 4.584,30 6.297,31 4.482,32 5.356,33 5.58,34 4.305,35 4.583,36 6.291,37 4.461,38 5.355,39 5.607,40 4.223,41 4.534,42 6.221,43 4.396,44 5.292,45 5.551,46 4.153,47 4.437,48 6.168,49 4.3,50 5.18,51 5.429,52 4.091,53 4.322,54 6.161,55 4.209,56 0.045,57 1.007,58 15.899,59 6.957,60 10.89,61 9.409,62 0.273,63 1.697,64 30.253,65 11.451,66 27.001,67 16.033,68 0.399,69 2.155,70 39.79,71 14.893,72 47.064,73 20.759,74 0.403,75 2.337,76 46.31,77 17.737,78 62.606,79 24.518,80 0.471,81 2.361,82 48.361,83 18.605,84 66.3,85 25.676,86 0.52,87 2.347,88 48.97,89 18.356,90 61.939,91 26.025,92 0.516,93 2.18,94 46.334,95 17.147,96 60.238,97 24.356,98 0.403,99 1.966,100 41.42,101 14.479,102 69.751,103 20.518,104 54,105 60,106 0.219,107 0.531,108 0.731,109 0.808,110 0.833,111 0.833,112 3.642,113 0.952,114 -4.95,115 -4.85,116 -4.55,119 43.1,120 4,121 1,124 1,125 3,127 2,140 9,141 6,142 3,155 1,156 1,169 16,171 1,172 9,176 2,178 21,181 1,182 12,184 1,189 21,192 1,193 11,199 19,202 1,203 6,208 1,211 21,214 1,215 6,218 1,220 1,222 16,225 1,226 11,229 1,231 1,233 10,237 12,242 1,244 8,249 8,252 1,254 1,256 10,259 2637,260 24.695,261 24.695,262 24.695,263 24.695,264 24.695,265 22.372,266 32.167,267 14.04,268 25.069,269 20.131,270 20.131,271 20.131,272 20.131,273 20.131,274 16.374,275 47.631,276 6.544,277 20.641,278 4.759,279 2.749,280 1.463,281 0.962,282 0.802,283 0.802,284 4.343,289 1,290 1138,291 3.674,294 90.823,295 479.93,298 163.099,302 2.275,303 31.364,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 78.5,315 524,316 4.535,317 3.757,318 6.807,319 4.216,320 3.251,321 4.161,322 1.277,323 11.229,324 3.138,325 4.417,326 3.55,327 6.496,328 4.049,329 3.051,330 4.104,331 1.2,332 10.144,333 3.048,334 4.216,335 3.351,336 6.466,337 3.925,338 2.967,339 3.726,340 0.86,341 10.011,342 2.852,343 4.009,344 3.046,345 6.014,346 3.701,347 2.703,348 3.399,349 0.8,350 8.499,351 2.696,352 3.879,353 3.001,354 5.9,355 3.603,356 2.603,357 3.224,358 0.4,359 8.121,360 2.589,361 3.611,362 2.746,363 5.515,364 3.407,365 2.443,366 2.764,367 0.293,368 7.294,369 2.341,370 3.422,371 2.35,372 5.186,373 3.046,374 2.056,375 2.644,377 6.131,378 2.04,379 3.177,380 2.31,381 5.011,382 2.869,383 1.913,384 2.342,386 5.596,387 1.833,388 2.938,389 1.982,390 4.866,391 2.856,392 1.879,393 2.041,395 5.051,396 1.822,397 2.879,398 1.963,399 4.618,400 2.605,401 1.652,402 1.884,404 4.963,405 1.564,406 2.804,407 1.872,408 4.382,409 2.377,410 1.401,411 1.879,413 4.012,414 1.365,415 2.632,416 1.75,417 3.993,418 2.337,419 1.322,420 1.637,422 3.246,423 1.336,424 2.574,425 1.535,426 3.777,427 2.139,428 1.119,429 1.56,431 2.823,432 1.135,433 2.5,434 1.225,435 3.697,436 2,437 1,438 1.5,440 2.275,441 1,442 2.233,443 1.132,444 3.617,445 1.878,446 0.87,447 1.082,449 2.227,450 0.87,451 17.7,452 0.478,453 1.1,454 0.03,455 46,456 1.243,457 22.5,458 0.608,459 23.5,460 0.635,461 38.106,462 1.03,463 39.9,464 0.554,465 38.602,466 1.043,467 8.853,468 0.239,469 8.891,470 0.24,471 0.179,473 0.412,479 0.726,480 1.314,481 0.844,482 1.117,483 0.582,484 1.01,485 0.945,486 1.036,487 0.832,488 0.864,489 0.564,490 0.83,491 1.055,492 1.042,493 1.043,494 1.012,495 0.907,496 1.012,497 1.081,498 1.027,499 1.029,500 1.047,501 1.104,502 1.031,503 1.123,504 1.085,505 1.087,506 1.093,507 1.038,508 1.092,509 0.906,510 0.987,511 1.002,512 1.001,513 0.783,514 1.011,515 0.88,516 0.988,517 0.935,518 0.977,519 0.627,520 0.966,521 1.234,522 1.009,523 1.013,524 0.971,525 1.365,526 0.959,527 8.5,528 0.274,529 5.111,530 3.319,531 2.613,532 1.646,533 1.186,534 0.775,535 0.483,536 0.303,537 21764,538 49175,539 2.068,540 48.6,541 3,542 20,545 1,546 3,547 8,550 1.779,551 1.897,552 3.754,553 -0.445,559 101.62,560 1.411,561 3.421,562 4.707,563 5.208,564 5.368,565 5.368,566 3.244,567 4.669,568 5.179,569 3.972,570 2645.4,571 9.104,572 43163.7,577 444.235,578 1.511,579 5.122,580 0.207,581 0.008,582 0.085,583 0.051,584 0.041,585 0.028,586 0.022,587 0.016,588 0.01,589 0.008,590 0.478,591 0.17,592 0.75,593 0.823,594 204.436,595 0.002,596 -0.136,597 0.064,598 -0.038,599 -0.041,600 0.01,602 0.087,603 0.132,604 0.141,605 0.056,606 0.151,607 -0.051,608 0.064,609 -0.071,610 -0.018,611 -0.011,612 -0.039,613 -0.061,614 -0.002,615 -0.05,616 -0.047,617 -0.037,618 -0.045,619 -0.064,620 -0.094,621 -0.104,622 -0.09,623 -0.086,624 -0.102,625 0.016,626 -0.005,627 -0.02,628 -0.017,629 -0.025,630 -0.023,631 0.077,632 -0.023,633 0.055,634 0.001,635 0.109,636 0.021,637 -0.085,638 -0.009,639 -0.003,640 -0.014,641 -0.022,642 0.003,643 1.66,644 6.624,645 0.73,646 45.791,647 0.992,648 1.122,649 3.721,650 13.845,651 0.661,652 3.738,653 4.111,654 4.419,655 4.71,656 4.956,657 5.118,658 5.298,659 5.416,660 5.513,661 5.666,662 8.338,663 0.62,664 497.69,665 3.738,666 5.313,667 6.188,668 7.091,669 7.982,670 8.888,671 9.785,672 10.694,673 11.595,674 12.505,675 4.2,677 1,681 1,682 1,688 9,693 9,695 18,700 1,703 1,709 1,712 1,714 72,716 20,717 3,718 41,720 76,721 31,722 18,723 9,724 9,725 2,730 5,731 6,736 4,740 3,743 3,745 20,746 11,750 2,755 2,759 2,764 35,765 6,766 1,767 6,773 3,777 0.8,778 3,792 1,793 4,796 1,814 1,819 4,823 5,827 37,833 4,834 1,835 1,837 2,838 2,847 4.2,850 2,852 1,854 19.5,855 14.567,856 8,857 4.492,858 3.48,859 1.399,860 0.982,861 7.11,862 12.203,863 3.97,864 4.57,865 5.152,866 5.708,867 6.258,868 6.581,869 7.004,870 7.282,871 7.587,872 8.001,873 1,874 65,875 13.763,877 5.904,878 7.635,879 26.755,881 22.554,883 2.135,884 79,888 400.217,889 180.03,890 24.259,892 61.29,895 180.03,896 461.507,897 24.259,898 46.184,899 11.976,900 103.297,901 60.128,902 43.995,904 400.217,906 400.217,907 204.29,908 61.29,911 306.049,912 155.459,915 65.288,916 139.002,919 400.217,920 85.549,921 180.03,924 400.217,925 48.56,926 137.719,927 18.011,928 61.29,929 400.217,930 85.549,931 180.03,933 0.595,934 0.356,935 0.193,936 0.105,937 30,938 15,939 0.066,940 5,941 1,942 1.074,943 4.592,944 371.543,945 0.074,946 27,947 182.75,951 25.504,952 10.315,953 5.031,955 85.549,956 17.777,961 8.524,963 18.011,964 665.797,965 52,970 25.323,974 0.065,975 71.425,976 80.766,977 0.229,978 0.554,979 0.763,980 0.844,981 0.87,982 0.87,983 5.25,984 1.913,985 6.205,986 6.131,987 4.796,988 5.257,989 2.293,990 7.062,991 4.752,992 6.464,993 1.879,994 7.799,995 5.596,996 4.511,997 5.139,998 0.57,999 8.038,1000 4.452,1001 7.784,1002 1.652,1003 9.488,1004 5.051,1005 6.444,1006 7.421,1007 2.439,1008 11.147,1009 6.355,1010 9.135,1011 1.401,1012 11.231,1013 4.963,1014 6.938,1015 8.083,1016 0.801,1017 12.918,1018 6.832,1019 10.516,1020 1.322,1021 13.009,1022 4.012,1023 8.374,1024 9.884,1025 2.739,1026 15.553,1027 8.242,1028 11.919,1029 1.119,1030 14.81,1031 3.246,1032 9.216,1033 10.902,1034 1.074,1035 17.66,1036 9.061,1037 13.338,1038 1,1039 16.628,1040 2.823,1041 10.461,1042 12.502,1043 3.104,1044 20.129,1045 10.283,1046 3.251,1047 0.87,1048 18.46,1049 2.275,1050 11.463,1051 13.699,1052 1.404,1053 22.384,1054 11.258,1055 3.051,1056 11.229,1057 20.301,1058 2.227,1059 12.636,1060 15.203,1061 3.506,1062 24.793,1063 12.407,1064 2.967,1065 10.144,1066 22.151,1067 4.161,1068 13.712,1069 16.496,1070 1.768,1071 27.117,1072 13.454,1073 2.703,1074 10.011,1075 24.008,1076 4.104,1077 14.86,1078 17.953,1079 3.932,1080 29.508,1081 14.577,1082 2.603,1083 8.499,1084 25.87,1085 3.726,1086 15.971,1087 19.298,1088 2.15,1089 31.865,1090 15.659,1091 2.443,1092 8.121,1093 27.737,1094 3.399,1095 17.114,1096 20.732,1097 4.373,1098 34.252,1099 16.773,1100 2.056,1101 7.294,1102 29.608,1103 3.224,1104 18.243,1105 22.106,1106 2.538,1107 36.627,1108 17.873,1109 20584,1110 31096,1111 26.876,1112 47.563,1113 63.397,1114 65.067,1115 65.863,1116 62.482,1117 62.534,1118 78.283,1119 9.661,1120 187.966,1121 61.178,1122 5.535,1123 5.757,1124 6.329,1125 5.283,1126 5.251,1127 7.161,1128 2.555,1129 18.637,1130 5.138,1131 22.367,1132 1.546,1133 1.587,1134 1.606,1135 1.524,1136 1.525,1137 1.909,1138 0.236,1139 4.585,1140 1.492,1141 4.086,1142 4.116,1143 4.039,1144 4.013,1145 7.43,1146 4.014,1147 3.993,1148 4.018,1149 3.946,1150 3.922,1151 7.426,1152 3.926,1153 3.843,1154 3.898,1155 3.771,1156 3.747,1157 4.863,1158 3.746,1159 3.784,1160 3.817,1161 3.69,1162 3.643,1163 4.787,1164 3.646,1165 3.492,1166 3.533,1167 3.413,1168 3.316,1169 4.548,1170 3.331,1171 3.424,1172 3.472,1173 3.31,1174 3.255,1175 4.455,1176 3.259,1177 3.367,1178 3.452,1179 3.151,1180 3.217,1181 4.399,1182 3.19,1183 3.197,1184 3.279,1185 3.068,1186 3.003,1187 3.934,1188 3.004,1189 0.111,1190 0.092,1191 0.166,1192 0.103,1193 0.079,1194 4.535,1195 0.101,1196 3.757,1197 0.031,1198 6.807,1199 0.274,1200 4.216,1201 0.077,1202 3.251,1203 4.161,1204 1.277,1205 11.229,1206 3.138,1207 2.016,1208 1.998,1209 2.103,1210 2.083,1211 1.331,1212 2.088,1213 1.922,1214 1.894,1215 2.046,1216 2.064,1217 1.247,1218 2.064,1219 1.813,1220 1.79,1221 1.931,1222 1.928,1223 1.166,1224 1.928,1225 1.747,1226 1.69,1227 1.914,1228 1.888,1229 1.046,1230 1.897,1231 1.491,1232 1.433,1233 1.733,1234 1.7,1235 0.97,1236 1.709,1237 1.405,1238 1.351,1239 1.719,1240 1.609,1241 0.956,1242 1.655,1243 1.402,1244 1.325,1245 1.679,1246 1.606,1247 0.732,1248 1.632,1249 1.22,1250 1.163,1251 1.568,1252 1.521,1253 0.598,1254 1.535,1255 4.419,1257 5.778,1258 2.398,1259 7.328,1260 4.727,1261 8.966,1262 6.843,1263 10.65,1265 9.695,1271 3.248,1272 3.583,1273 5.776,1275 0.75,1276 4.26,1280 44.637,1281 101.62,1282 246.325,1283 338.911,1284 374.95,1285 386.46,1286 386.46,1287 70.435,1288 8.724,1289 61.88,1290 61.88,1291 29,1292 13.022,1293 4.392,1294 3.585,1295 56.951,1296 185,1297 195,1298 0.149,1299 271.336,1300 480.69,1301 653.821,1302 85493,1304 26.267,1305 0.71,1306 0.603,1307 26.267,1308 22.298,1309 17.744,1310 0.433,1311 0.317,1312 12.863,1313 17.193,1314 12.342,1315 10.289,1316 17.744,1317 13.006,1318 16.639,1319 0.277,1320 0.173,1321 16.639,1322 10.397,1323 14.186,1324 0.173,1325 0.091,1326 14.186,1327 7.495,1328 12.188,1329 0.111,1330 0.052,1331 12.188,1332 5.703,1333 9.649,1334 0.068,1335 0.027,1336 9.649,1337 3.798,1338 0.238,1339 110.257,1340 0.193,1341 33.775,1342 0.4,1343 202,1344 514.83,1345 216.413,1346 500.17,1347 693.89,1348 470,1349 243,1350 516.846,1351 258.414,1352 529.178,1353 777.71,1354 497,1355 6.4} {0 CHEMBL197169,1 1.536,2 10.69,3 2.044,4 4.177,5 112.223,6 7.25,7 0.485,8 4.104,9 4.228,10 3.67,11 3.611,12 5.129,13 3.6,14 4.691,15 4.89,16 4.075,17 4.031,18 5.665,19 4.009,20 4.898,21 5.098,22 4.126,23 4.201,24 5.895,25 4.143,26 5.003,27 5.221,28 4.099,29 4.226,30 6.003,31 4.143,32 4.978,33 5.212,34 4.037,35 4.178,36 5.944,37 4.096,38 4.923,39 5.14,40 3.999,41 4.162,42 5.857,43 4.072,44 4.911,45 5.165,46 3.855,47 4.076,48 5.815,49 3.964,50 4.79,51 5.035,52 3.723,53 3.971,54 5.661,55 3.842,57 0.845,58 11.584,59 4.713,60 6.389,61 6.509,62 0.312,63 1.395,64 23.515,65 7.568,66 21.077,67 11.085,68 0.454,69 1.641,70 29.273,71 9.891,72 36.334,73 14.094,74 0.326,75 1.717,76 33.194,77 11.763,78 45.633,79 16.647,80 0.448,81 1.642,82 33.342,83 11.248,84 51.828,85 15.855,86 0.257,87 1.606,88 30.495,89 10.831,90 37.668,91 15.419,92 0.407,93 1.55,94 31.19,95 9.986,96 41.716,97 15.017,98 0.299,99 1.334,100 27.303,101 10.024,102 29.091,103 14.462,104 17,105 49,106 0.253,107 0.574,108 0.753,109 0.832,110 0.832,111 0.832,112 3.409,113 0.92,114 -3.95,115 -3.91,116 -3.71,119 40.7,120 2,121 1,124 1,125 5,140 3,141 3,142 1,143 1,144 1,145 1,150 1,156 1,159 1,169 6,171 3,172 9,178 7,181 3,182 7,189 6,192 2,193 9,199 3,202 3,203 11,215 10,222 3,225 2,226 6,233 5,236 3,237 3,244 3,248 2,249 4,256 2,259 1246,260 19.602,261 19.602,262 19.602,263 19.602,264 19.602,265 17.625,266 26.649,267 11.176,268 20.04,269 16.275,270 16.275,271 16.275,272 16.275,273 16.275,274 13.119,275 34.943,276 5.309,277 16.953,278 4.219,279 2.27,280 1.19,281 0.709,282 0.709,283 0.709,284 4.116,288 1,289 1,290 689,291 2.915,294 120.561,295 191.595,298 86.716,299 99.416,302 1.562,303 24.889,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62.5,315 310,316 4.637,317 3.775,318 6.86,319 4.255,320 3.282,321 4.535,322 1.2,323 11.411,324 3.195,325 4.44,326 3.307,327 6.668,328 4.064,329 3.091,330 4.085,331 0.8,332 10.715,333 3.016,334 4.152,335 3.083,336 6.307,337 3.816,338 2.856,339 3.63,340 0.8,341 9.465,342 2.736,343 3.741,344 2.824,345 5.774,346 3.479,347 2.533,348 3.046,349 0.293,350 7.834,351 2.389,352 3.529,353 2.707,354 5.442,355 3.222,356 2.267,357 2.791,359 6.713,360 2.17,361 3.338,362 2.417,363 5.05,364 3.058,365 2.099,366 2.452,368 6.028,369 1.997,370 3.078,371 2.089,372 4.858,373 2.764,374 1.792,375 2.247,377 5.276,378 1.737,379 3.04,380 1.99,381 4.671,382 2.634,383 1.651,384 2.214,386 4.711,387 1.619,388 2.811,389 1.589,390 4.377,391 2.373,392 1.433,393 1.893,395 3.76,396 1.344,397 2.555,398 1.513,399 4.168,400 2.234,401 1.276,402 1.567,404 3.574,405 1.218,406 2.391,407 1.252,408 3.853,409 2.113,410 1.139,411 1.363,413 2.903,414 1.107,415 2.151,416 1.222,417 3.536,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.709,428 0.704,429 0.947,431 1.844,432 0.701,433 1.701,434 0.618,435 3.203,436 1.357,437 0.356,438 0.46,440 0.95,441 0.353,442 1.14,443 0.052,444 2.706,445 0.842,446 -0.116,447 -0.131,449 -0.268,450 -0.111,451 13.667,452 0.471,453 0.836,454 0.029,455 37,456 1.276,457 16.5,458 0.569,459 20.5,460 0.707,461 26.557,462 0.916,463 31.333,464 0.58,465 27.521,466 0.949,467 7.164,468 0.247,469 6.844,470 0.236,471 0.134,473 0.417,479 0.791,480 1.588,481 0.77,482 1.227,483 0.578,484 1.029,485 0.946,486 1,487 0.784,488 0.793,489 0.541,490 0.75,491 1.049,492 0.988,493 1.033,494 0.956,495 0.841,496 0.975,497 1.035,498 1.147,499 1.01,500 1.14,501 1.214,502 1.088,503 1.212,504 0.841,505 0.992,506 0.889,507 1.512,508 0.91,509 1.08,510 1.219,511 1.049,512 1.141,513 1.192,514 1.106,515 0.887,516 0.96,517 1.063,518 0.986,519 0.691,520 1.026,521 0.66,522 1.028,523 0.992,524 1.158,525 0.805,526 1.133,527 6,528 0.171,529 4,530 2.576,531 1.845,532 1.007,533 0.844,534 0.568,535 0.343,536 0.273,537 10543,538 24258,539 2.15,540 46.3,542 16,544 1,546 6,547 2,550 1.723,551 2,552 3.388,553 -0.751,554 1,555 1,559 82.95,560 1.536,561 3.484,562 4.565,563 5.046,564 5.046,565 5.046,566 2.862,567 4.513,568 4.829,569 3.505,570 1422.92,571 8.431,572 18455.8,574 1,576 1,577 310.764,578 1.44,579 4.786,580 0.182,581 0.008,582 0.082,583 0.052,584 0.039,585 0.022,586 0.02,587 0.016,588 0.011,589 0.01,590 0.442,591 0.5,592 0.88,593 0.562,594 144.915,596 -0.369,597 0.093,598 -0.151,599 -0.006,600 -0.039,601 0.061,602 0.143,603 0.168,604 0.176,605 0.111,606 0.193,607 0.004,608 0.109,609 -0.08,610 0.032,611 0.042,612 -0.019,613 -0.012,614 -0.142,615 -0.047,616 -0.132,617 0.028,618 -0.102,619 -0.087,620 0.149,621 -0.003,622 0.094,623 -0.122,624 0.063,625 -0.113,626 -0.21,627 -0.093,628 -0.128,629 -0.119,630 -0.115,631 -0.02,632 0.053,633 -0.089,634 -0.027,635 0.054,636 -0.055,637 0.137,638 -0.069,639 -0.036,640 -0.142,641 0.053,642 -0.12,643 1.786,644 6.163,645 0.828,646 25.275,647 1,648 1.131,649 2.724,650 7.419,651 0.658,652 3.526,653 3.912,654 4.248,655 4.575,656 4.82,657 4.97,658 5.193,659 5.394,660 5.529,661 5.666,662 6.181,663 0.626,664 391.52,665 3.526,666 5.106,667 5.994,668 6.907,669 7.812,670 8.729,671 9.641,672 10.56,673 11.477,674 12.398,675 9.3,678 1,681 1,682 1,685 2,687 2,688 4,689 2,691 1,693 6,695 16,703 1,709 1,714 54,716 17,717 1,718 33,720 58,721 22,722 12,723 4,724 2,725 1,730 5,731 8,736 2,740 1,743 1,745 13,746 9,750 1,755 1,759 1,761 1,764 25,765 7,767 7,773 5,777 0.6,778 2,782 1,786 1,792 2,793 3,796 1,797 1,815 1,819 3,823 3,827 29,833 6,838 3,847 3.7,850 1,852 1,854 14.5,855 10.917,856 6.139,857 3.407,858 3.166,859 1.38,860 1.017,861 4.563,862 11.487,863 3.761,864 4.404,865 5.036,866 5.662,867 6.189,868 6.573,869 7.037,870 7.484,871 7.882,872 8.148,873 1,874 50,875 10.78,877 4.687,878 7.586,879 21.009,881 17.867,883 2.086,884 60.5,888 294.278,889 107.932,890 42.944,892 34.652,895 107.932,896 328.93,897 42.944,898 26.047,899 16.187,900 28.429,901 80.212,902 38.648,903 7.777,904 282.506,906 294.278,907 150.876,908 34.652,911 270.735,912 58.194,915 53.786,916 63.519,917 33.571,919 294.278,920 77.596,921 107.932,924 294.278,925 44.409,926 72.896,928 68.223,929 294.278,930 77.596,931 107.932,933 0.598,934 0.359,935 0.2,936 0.109,937 27,938 12,939 0.034,940 2,941 2,942 1.167,943 3.971,944 278.462,945 0.167,946 24,947 136.881,951 18.591,952 7.118,953 3.206,954 2.273,955 77.596,956 8.289,957 8.958,959 5.592,961 4.645,964 479.806,965 42,970 13.163,974 -0.119,975 54,976 61.062,977 0.267,978 0.605,979 0.793,980 0.877,981 0.877,982 0.877,983 5.043,984 1.651,985 6.009,986 5.276,987 4.595,988 5.091,989 1.758,990 6.882,991 4.522,992 6.265,993 1.433,994 7.607,995 4.711,996 4.29,997 5.027,998 0.766,999 7.879,1000 4.185,1001 7.595,1002 1.276,1003 9.304,1004 3.76,1005 6.252,1006 7.334,1007 1.696,1008 11.023,1009 6.111,1010 8.961,1011 1.139,1012 11.057,1013 3.574,1014 6.758,1015 8.107,1016 0.931,1017 12.845,1018 6.592,1019 10.361,1020 1,1021 12.847,1022 2.903,1023 8.209,1024 9.914,1025 1.83,1026 15.51,1027 8.012,1028 11.784,1029 0.704,1030 14.663,1031 2.275,1032 9.077,1033 11.068,1034 1.142,1035 17.668,1036 8.857,1037 13.225,1038 0.356,1039 16.498,1040 1.844,1041 10.337,1042 12.681,1043 2.038,1044 20.168,1045 10.089,1046 3.282,1047 -0.116,1048 18.347,1049 0.95,1050 11.366,1051 14.012,1052 1.436,1053 22.467,1054 11.096,1055 3.091,1056 11.411,1057 20.207,1058 -0.268,1059 12.556,1060 15.547,1061 2.286,1062 24.907,1063 12.259,1064 2.856,1065 10.715,1066 22.076,1067 4.535,1068 13.657,1069 16.962,1070 1.783,1071 27.267,1072 13.337,1073 2.533,1074 9.465,1075 23.952,1076 4.085,1077 14.823,1078 18.468,1079 2.561,1080 29.687,1081 14.478,1082 2.267,1083 7.834,1084 25.834,1085 3.63,1086 15.957,1087 19.922,1088 2.156,1089 32.075,1090 15.589,1091 2.099,1092 6.713,1093 27.72,1094 3.046,1095 17.118,1096 21.419,1097 2.856,1098 34.489,1099 16.725,1100 1.792,1101 6.028,1102 29.611,1103 2.791,1104 18.268,1105 22.894,1106 2.541,1107 36.89,1108 17.85,1109 9823,1110 15072,1111 22.194,1112 35.552,1113 51.497,1114 52.243,1115 53.215,1116 51.024,1117 50.954,1118 64.46,1119 6.186,1120 154.917,1121 49.095,1122 5.637,1123 5.775,1124 6.379,1125 5.323,1126 5.282,1127 7.535,1128 2.293,1129 18.983,1130 5.195,1131 14.07,1132 1.561,1133 1.583,1134 1.613,1135 1.546,1136 1.544,1137 1.953,1138 0.187,1139 4.694,1140 1.488,1141 4.136,1142 4.166,1143 4.101,1144 4.06,1145 7.428,1146 4.065,1147 3.925,1148 3.945,1149 3.898,1150 3.726,1151 5.106,1152 3.765,1153 3.812,1154 3.881,1155 3.708,1156 3.619,1157 4.962,1158 3.632,1159 3.645,1160 3.702,1161 3.557,1162 3.488,1163 4.488,1164 3.495,1165 3.244,1166 3.322,1167 3.15,1168 3.05,1169 4.347,1170 3.051,1171 3.202,1172 3.295,1173 3.041,1174 3.021,1175 3.96,1176 3.012,1177 3.134,1178 3.206,1179 2.963,1180 2.961,1181 3.933,1182 2.958,1183 3.111,1184 3.196,1185 2.913,1186 2.941,1187 3.859,1188 2.91,1189 0.141,1190 0.114,1191 0.208,1192 0.129,1193 0.099,1194 4.637,1195 0.137,1196 3.775,1197 0.036,1198 6.86,1199 0.346,1200 4.255,1201 0.097,1202 3.282,1203 4.535,1204 1.2,1205 11.411,1206 3.195,1207 2.05,1208 2.029,1209 2.116,1210 2.139,1211 1.335,1212 2.133,1213 1.748,1214 1.675,1215 1.959,1216 1.962,1217 1.238,1218 1.967,1219 1.619,1220 1.59,1221 1.784,1222 1.826,1223 1.05,1224 1.802,1225 1.492,1226 1.432,1227 1.733,1228 1.718,1229 0.838,1230 1.718,1231 1.459,1232 1.411,1233 1.683,1234 1.651,1235 0.825,1236 1.666,1237 1.347,1238 1.291,1239 1.555,1240 1.556,1241 0.733,1242 1.558,1243 1.182,1244 1.086,1245 1.516,1246 1.45,1247 0.666,1248 1.48,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.613,1254 1.429,1255 4.205,1257 5.572,1258 3.045,1259 7.13,1260 5.416,1261 8.776,1262 7.506,1263 10.472,1265 5.733,1271 5.462,1276 6.504,1280 33.805,1281 82.95,1282 188.161,1283 246.525,1284 272.499,1285 272.499,1286 272.499,1287 41.873,1288 8.322,1289 65.71,1290 65.71,1291 28,1292 12.907,1293 4.17,1294 3.322,1295 39.467,1296 108,1297 116,1298 0.182,1299 203.38,1300 346.12,1301 488.007,1302 49115,1304 20.121,1305 0.694,1306 0.59,1307 20.121,1308 17.105,1309 14.008,1310 0.424,1311 0.307,1312 9.958,1313 13.382,1314 9.637,1315 7.939,1316 14.008,1317 10.121,1318 13.252,1319 0.27,1320 0.163,1321 13.252,1322 7.981,1323 11.64,1324 0.169,1325 0.087,1326 11.64,1327 5.984,1328 10.206,1329 0.106,1330 0.046,1331 10.206,1332 4.379,1333 8.239,1334 0.067,1335 0.025,1336 8.239,1337 3.071,1338 0.28,1339 88.114,1340 0.212,1341 27.034,1342 0.519,1343 164,1344 445.697,1345 181.273,1346 427.756,1347 602.28,1348 404,1349 200,1350 463.289,1351 219.244,1352 465.919,1353 693.03,1354 439,1355 8.6} {0 CHEMBL197408,1 1.445,2 16.111,3 4.403,4 19.387,5 146.237,6 6.841,7 0.45,8 4.348,9 4.481,10 3.856,11 3.856,12 5.348,13 3.827,14 4.919,15 5.12,16 4.194,17 4.258,18 5.851,19 4.206,20 5.177,21 5.398,22 4.276,23 4.465,24 6.055,25 4.371,26 5.288,27 5.525,28 4.213,29 4.492,30 6.173,31 4.363,32 5.324,33 5.591,34 4.156,35 4.439,36 6.188,37 4.304,38 5.189,39 5.445,40 4.061,41 4.338,42 6.017,43 4.202,44 5.12,45 5.387,46 4.022,47 4.235,48 5.991,49 4.108,50 5.075,51 5.335,52 3.985,53 4.156,54 6.001,55 4.061,56 0.051,57 1.062,58 16.237,59 6.333,60 10.441,61 9.03,62 0.431,63 1.737,64 30.882,65 9.934,66 30.486,67 14.806,68 0.447,69 2.142,70 40.09,71 14.066,72 32.407,73 20.534,74 0.366,75 2.235,76 45.195,77 16.746,78 49.302,79 24.038,80 0.628,81 2.212,82 48.361,83 16.385,84 65.832,85 24.006,86 0.482,87 1.991,88 41.597,89 14.531,90 43.145,91 21.362,92 0.475,93 1.857,94 39.002,95 13.065,96 48.214,97 19.677,98 0.469,99 1.738,100 38.033,101 11.363,102 53.909,103 16.956,104 11,105 55,106 0.225,107 0.477,108 0.618,109 0.748,110 0.816,111 0.816,112 3.615,113 0.951,114 -4.29,115 -4.22,116 -3.99,119 40.8,124 2,125 8,140 12,141 2,142 4,157 1,169 12,171 1,172 4,174 2,176 2,178 15,181 3,182 5,186 1,189 14,193 6,195 1,199 9,202 1,203 6,206 2,211 6,214 3,215 5,222 2,225 2,226 8,229 1,231 2,237 5,242 2,248 3,249 3,254 1,256 4,259 2542,260 24.817,261 24.817,262 24.817,263 24.817,264 24.817,265 22.6,266 32.587,267 14.647,268 25.478,269 19.678,270 19.678,271 19.678,272 19.678,273 19.678,274 16.276,275 50.526,276 6.875,277 20.623,278 4.704,279 3.094,280 2.191,281 1.353,282 0.923,283 0.923,284 4.324,289 1,290 1276,291 3.162,295 674.786,302 2.562,303 22.088,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 76.5,315 580,316 4.354,317 3.692,318 6.521,319 4.007,320 3.059,321 3.963,322 1.701,323 10.269,324 2.9,325 4.268,326 3.301,327 6.208,328 3.918,329 2.951,330 3.903,331 0.86,332 9.254,333 2.883,334 4.027,335 3.112,336 6.103,337 3.787,338 2.823,339 3.402,340 0.8,341 8.909,342 2.69,343 3.915,344 2.814,345 6.001,346 3.619,347 2.665,348 3.173,349 0.8,350 8.549,351 2.534,352 3.586,353 2.78,354 5.351,355 3.392,356 2.46,357 2.802,358 0.8,359 6.876,360 2.292,361 3.428,362 2.444,363 5.207,364 3.153,365 2.21,366 2.678,367 0.563,368 6.409,369 2.079,370 3.35,371 2.401,372 4.923,373 2.921,374 1.969,375 2.526,376 0.075,377 5.603,378 1.904,379 3.101,380 2.258,381 4.618,382 2.87,383 1.926,384 2.18,386 4.946,387 1.781,388 2.93,389 1.933,390 4.325,391 2.588,392 1.6,393 2.009,395 4.111,396 1.573,397 2.631,398 1.563,399 4.028,400 2.22,401 1.237,402 1.658,404 3.215,405 1.209,406 2.5,407 1.335,408 3.941,409 2.109,410 1.136,411 1.5,413 3.015,414 1.103,415 2.5,416 1.146,417 3.491,418 2,419 1.02,420 1.5,422 2.601,423 1,424 2.468,425 1.146,426 3.414,427 2,428 1,429 1.46,431 2.275,432 1,433 2.335,434 1.103,435 3.414,436 1.996,437 1,438 1.269,440 2.275,441 0.99,442 2,443 1.095,444 3.414,445 1.967,446 1,447 1,449 2.275,450 0.965,451 17.167,452 0.477,453 0.742,454 0.021,455 45.75,456 1.271,457 21.5,458 0.597,459 24.25,460 0.674,461 32.24,462 0.896,463 39.233,464 0.553,465 36.545,466 1.015,467 9.289,468 0.258,469 8.312,470 0.231,471 0.078,473 0.297,479 0.862,480 1.544,481 0.857,482 1.207,483 0.605,484 1.054,485 1.224,486 1.007,487 0.998,488 0.848,489 0.633,490 0.874,491 1.038,492 0.991,493 1.072,494 1.01,495 0.847,496 1.029,497 1.02,498 1.154,499 1.069,500 1.177,501 1.288,502 1.142,503 1.169,504 0.893,505 0.994,506 0.906,507 1.433,508 0.931,509 0.965,510 1.072,511 1.024,512 1.062,513 0.911,514 1.056,515 0.773,516 1.077,517 0.911,518 1.025,519 0.833,520 0.984,521 1.696,522 0.959,523 1.05,524 0.858,525 1.979,526 0.871,527 6.5,528 0.194,529 4.444,530 1.875,531 1.511,532 1.222,533 0.967,534 0.62,535 0.303,536 0.191,537 23330,538 50474,539 2.137,540 49.3,542 34,545 1,550 1.768,551 2.038,552 3.93,553 -0.41,559 102.616,560 1.445,561 3.056,562 3.959,563 4.797,564 5.227,565 5.227,566 3.409,567 4.461,568 5.14,569 4.13,570 2601.71,571 9.001,572 44006.9,577 436.632,578 1.256,579 5.118,580 0.162,581 0.006,582 0.081,583 0.032,584 0.029,585 0.025,586 0.022,587 0.015,588 0.007,589 0.005,590 0.385,591 0.33,592 0.75,593 0.586,594 201.011,595 0.014,596 -0.308,597 0.083,598 -0.119,599 0.006,600 -0.029,601 -0.028,602 0.164,603 0.003,604 0.126,605 0.064,606 0.079,607 -0.043,608 0.106,609 -0.093,610 -0.014,611 -0.02,612 -0.049,613 -0.038,614 -0.16,615 -0.095,616 -0.16,617 -0.063,618 -0.14,619 -0.005,620 0.06,621 0.014,622 0.061,623 -0.086,624 0.041,625 0.055,626 -0.091,627 -0.035,628 -0.078,629 -0.022,630 -0.073,631 0.199,632 -0.095,633 0.081,634 -0.062,635 0.171,636 -0.01,637 -0.189,638 0.03,639 -0.003,640 0.065,641 -0.095,642 0.058,643 1.719,644 6.042,645 0.833,646 48.157,647 0.992,648 1.129,649 3.057,650 9.346,651 0.653,652 3.714,653 4.025,654 4.304,655 4.533,656 4.787,657 4.836,658 4.99,659 5.063,660 5.13,661 5.252,662 9.188,663 0.612,664 485.69,665 3.714,666 5.252,667 6.103,668 6.969,669 7.832,670 8.701,671 9.569,672 10.44,673 11.309,674 12.181,675 7,678 1,681 2,682 2,688 12,693 6,695 18,709 2,712 1,714 71,716 19,717 3,718 40,720 75,721 29,722 18,723 6,724 12,730 5,731 5,735 1,745 19,746 10,750 1,755 1,759 1,764 35,765 7,766 1,767 7,773 5,777 1,778 2,793 5,815 1,819 5,823 2,827 36,833 8,834 1,835 1,838 4,847 2.8,850 1,852 1,854 17.667,855 13.133,856 7.972,857 4.261,858 3.169,859 1.378,860 0.995,861 7.876,862 11.561,863 3.932,864 4.46,865 4.985,866 5.49,867 6.01,868 6.163,869 6.54,870 6.785,871 6.995,872 7.264,873 0.909,874 58,875 13.35,877 5.591,878 7.519,879 26.227,881 21.67,883 2.019,884 72.667,888 400.217,889 174.001,890 30.508,892 36.145,895 174.001,896 436.362,897 30.508,898 19.279,899 37.981,900 113.715,901 25.145,902 40.258,903 4.276,904 400.217,906 400.217,907 204.509,908 36.145,911 400.217,912 36.145,915 41.105,916 163.404,919 400.217,920 66.653,921 174.001,924 400.217,925 41.006,926 145.492,927 18.011,928 36.145,929 400.217,930 66.653,931 174.001,933 0.578,934 0.342,935 0.181,936 0.101,937 26,938 11,939 0.067,940 5,942 1,943 4.809,944 337.5,946 30,947 170.117,951 24.783,952 11.441,953 5.926,955 66.653,956 25.01,961 6.305,963 18.011,964 640.871,965 50,970 13.042,974 -0.052,975 70.418,976 80.138,977 0.235,978 0.497,979 0.644,980 0.78,981 0.85,982 0.85,983 5.173,984 1.926,985 6.071,986 5.603,987 4.71,988 5.147,989 2.379,990 6.855,991 4.622,992 6.336,993 1.6,994 7.613,995 4.946,996 4.205,997 4.771,998 1.577,999 7.703,1000 4.049,1001 7.615,1002 1.237,1003 9.254,1004 4.111,1005 6.282,1006 7.211,1007 2.694,1008 10.773,1009 6.104,1010 8.925,1011 1.136,1012 10.953,1013 3.215,1014 6.608,1015 7.652,1016 2.548,1017 12.448,1018 6.362,1019 10.268,1020 1.02,1021 12.69,1022 3.015,1023 8.121,1024 9.566,1025 3.441,1026 15.012,1027 7.855,1028 11.632,1029 1,1030 14.452,1031 2.601,1032 8.832,1033 10.402,1034 3.624,1035 17.025,1036 8.505,1037 13.013,1038 1,1039 16.232,1040 2.275,1041 10.103,1042 12.073,1043 4.372,1044 19.41,1045 9.752,1046 3.059,1047 1,1048 18.025,1049 2.275,1050 11.003,1051 13.126,1052 4.72,1053 21.573,1054 10.598,1055 2.951,1056 10.269,1057 19.828,1058 2.275,1059 12.167,1060 14.667,1061 5.376,1062 23.894,1063 11.733,1064 2.823,1065 9.254,1066 21.639,1067 3.963,1068 13.162,1069 15.846,1070 5.809,1071 26.125,1072 12.679,1073 2.665,1074 8.909,1075 23.456,1076 3.903,1077 14.28,1078 17.314,1079 6.41,1080 28.424,1081 13.763,1082 2.46,1083 8.549,1084 25.278,1085 3.402,1086 15.322,1087 18.568,1088 6.887,1089 30.69,1090 14.759,1091 2.21,1092 6.876,1093 27.104,1094 3.173,1095 16.421,1096 19.994,1097 7.458,1098 32.985,1099 15.821,1100 1.969,1101 6.409,1102 28.934,1103 2.802,1104 17.487,1105 21.293,1106 7.96,1107 35.269,1108 16.843,1109 21593,1110 31914,1111 27.334,1112 46.358,1113 59.876,1114 60.567,1115 60.976,1116 59.414,1117 59.362,1118 73.452,1119 11.2,1120 167.646,1121 56.829,1122 5.354,1123 5.692,1124 6.323,1125 5.075,1126 5.059,1127 6.963,1128 2.972,1129 16.994,1130 4.9,1131 14.459,1132 1.497,1133 1.514,1134 1.524,1135 1.485,1136 1.484,1137 1.836,1138 0.28,1139 4.191,1140 1.421,1141 4.038,1142 4.076,1143 3.978,1144 3.966,1145 7.429,1146 3.963,1147 3.964,1148 4,1149 3.911,1150 3.861,1151 4.874,1152 3.87,1153 3.837,1154 3.893,1155 3.752,1156 3.714,1157 4.831,1158 3.714,1159 3.746,1160 3.808,1161 3.64,1162 3.561,1163 4.619,1164 3.571,1165 3.676,1166 3.72,1167 3.584,1168 3.531,1169 4.424,1170 3.537,1171 3.356,1172 3.407,1173 3.271,1174 3.078,1175 4.349,1176 3.121,1177 3.21,1178 3.303,1179 3.033,1180 2.941,1181 4.248,1182 2.94,1183 3.166,1184 3.241,1185 3.009,1186 2.941,1187 3.888,1188 2.936,1189 0.109,1190 0.092,1191 0.163,1192 0.1,1193 0.076,1194 4.354,1195 0.099,1196 3.692,1197 0.043,1198 6.521,1199 0.257,1200 4.007,1201 0.073,1202 3.059,1203 3.963,1204 1.701,1205 10.269,1206 2.9,1207 1.995,1208 1.971,1209 2.097,1210 2.09,1211 1.306,1212 2.09,1213 1.918,1214 1.887,1215 2.035,1216 2.065,1217 1.299,1218 2.061,1219 1.81,1220 1.764,1221 1.973,1222 1.98,1223 1.165,1224 1.983,1225 1.71,1226 1.643,1227 1.9,1228 1.901,1229 1.05,1230 1.905,1231 1.654,1232 1.599,1233 1.833,1234 1.799,1235 0.931,1236 1.812,1237 1.243,1238 1.186,1239 1.573,1240 1.56,1241 0.825,1242 1.553,1243 1.174,1244 1.074,1245 1.54,1246 1.474,1247 0.825,1248 1.497,1249 1.153,1250 1.064,1251 1.513,1252 1.396,1253 0.641,1254 1.429,1255 4.394,1257 5.707,1259 7.223,1261 8.822,1263 10.461,1265 3.84,1271 6.914,1272 3.107,1273 5.604,1276 8.897,1280 43.439,1281 102.616,1282 216.976,1283 281.083,1284 340.593,1285 371.122,1286 371.122,1287 53.594,1288 8.393,1289 51.29,1290 51.29,1291 30,1292 12.723,1293 4.322,1294 3.459,1295 54.884,1296 201,1297 198,1298 0.13,1299 264.671,1300 461.94,1301 637.558,1302 63012,1304 24.907,1305 0.692,1306 0.589,1307 24.907,1308 21.19,1309 17.602,1310 0.44,1311 0.317,1312 12.49,1313 16.907,1314 12.161,1315 10.064,1316 17.602,1317 12.684,1318 15.492,1319 0.282,1320 0.173,1321 15.492,1322 9.494,1323 13.473,1324 0.185,1325 0.098,1326 13.473,1327 7.181,1328 10.968,1329 0.119,1330 0.054,1331 10.968,1332 4.928,1333 9.121,1334 0.077,1335 0.03,1336 9.121,1337 3.551,1338 0.213,1339 110.133,1340 0.191,1341 33.772,1342 0.336,1343 190,1344 482.384,1345 206.305,1346 467.132,1347 649.78,1348 442,1349 223,1350 482.647,1351 240.806,1352 492.134,1353 717.96,1354 462,1355 6.679} {0 CHEMBL197505,1 1.735,2 11.824,3 5.457,4 29.776,5 120.716,6 7.894,7 0.324,8 4.224,9 4.337,10 3.823,11 3.675,12 5.36,13 3.691,14 4.834,15 5.015,16 4.297,17 4.082,18 6.31,19 4.095,20 5.05,21 5.237,22 4.379,23 4.288,24 6.224,25 4.274,26 5.246,27 5.453,28 4.419,29 4.334,30 6.642,31 4.3,32 5.273,33 5.519,34 4.29,35 4.269,36 6.484,37 4.209,38 5.084,39 5.306,40 4.206,41 4.238,42 6.14,43 4.183,44 5.155,45 5.371,46 4.263,47 4.274,48 6.473,49 4.201,50 5.155,51 5.404,52 4.093,53 4.193,54 6.196,55 4.112,56 0.203,57 1.142,58 11.53,59 5.856,60 24.983,61 6.986,62 1.266,63 2.146,64 27.182,65 9.202,66 160.896,67 11.766,68 0.9,69 2.206,70 32.37,71 12.202,72 66.303,73 15.515,74 1.628,75 2.726,76 43.534,77 14.956,78 218.384,79 18.747,80 1.895,81 2.002,82 49.171,83 14.24,84 189.436,85 19.791,86 1.046,87 1.924,88 36.74,89 12.578,90 96.14,91 16.854,92 1.582,93 2.047,94 39.878,95 13.678,96 188.138,97 18.433,98 1.15,99 1.99,100 42.039,101 13.509,102 129.657,103 18.271,104 86,105 56,106 0.282,107 0.589,108 0.786,109 0.832,110 0.832,111 0.832,112 3.561,113 0.895,114 -4.68,115 -4.6,116 -4.32,119 39.3,120 2,121 1,124 2,125 3,127 2,131 1,140 5,141 2,142 5,157 1,169 5,171 3,172 8,178 4,181 2,182 8,189 3,192 1,193 11,199 1,202 1,203 8,211 2,214 3,215 5,222 5,225 3,226 3,233 9,237 2,244 7,248 2,249 7,256 1,259 2022,260 21.996,261 21.996,262 21.996,263 21.996,264 21.996,265 20.425,266 33.402,267 12.245,268 22.876,269 18.113,270 18.113,271 18.113,272 18.113,273 18.113,274 15.527,275 48.749,276 5.659,277 19.547,278 4.196,279 2.309,280 1.097,281 0.816,282 0.816,283 0.816,284 4.245,289 1,290 850,291 4.123,294 80.062,295 314.838,298 142.815,302 1.855,303 63.765,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 78.5,315 402,316 4.582,317 4.476,318 7.265,319 4.272,320 3.393,321 4.153,322 3.825,323 12.29,324 3.097,325 4.515,326 3.841,327 6.761,328 4.191,329 3.237,330 4.117,331 2.208,332 11.097,333 3.004,334 4.131,335 3.4,336 6.487,337 3.956,338 3.021,339 3.394,340 0.86,341 10.085,342 2.824,343 3.951,344 3.216,345 6.224,346 3.703,347 2.778,348 3.167,349 0.8,350 8.981,351 2.569,352 3.853,353 3.122,354 6.068,355 3.553,356 2.652,357 2.943,358 0.8,359 8.623,360 2.346,361 3.546,362 2.883,363 5.604,364 3.208,365 2.253,366 2.754,367 0.655,368 7.185,369 2.124,370 3.183,371 2.451,372 5.162,373 2.869,374 1.954,375 2.336,376 0.13,377 5.944,378 1.833,379 2.896,380 2.102,381 4.879,382 2.856,383 1.879,384 2.046,386 5.225,387 1.777,388 2.879,389 1.982,390 4.798,391 2.515,392 1.595,393 1.958,395 4.925,396 1.46,397 2.849,398 1.919,399 4.521,400 2.422,401 1.459,402 1.879,404 4.304,405 1.386,406 2.72,407 1.675,408 4.017,409 2.38,410 1.414,411 1.749,413 3.176,414 1.34,415 2.332,416 1.572,417 3.851,418 2.065,419 1.101,420 1.267,422 2.915,423 1.048,424 1.972,425 1.176,426 3.739,427 1.786,428 0.853,429 0.923,431 2.222,432 0.789,433 1.515,434 1.006,435 3.11,436 1.322,437 0.37,438 0.413,440 0.865,441 0.35,442 1.431,443 0.811,444 3.016,445 1.252,446 0.368,447 0.377,449 0.64,450 0.323,451 15.343,452 0.451,453 1.252,454 0.037,455 38.5,456 1.132,457 15.5,458 0.456,459 23,460 0.676,461 35.984,462 1.058,463 39.857,464 0.653,465 36.004,466 1.059,467 7.732,468 0.227,469 8.274,470 0.243,471 0.227,472 0.033,473 0.404,476 3,477 1,479 0.622,480 1.177,481 0.674,482 1.289,483 0.553,484 1.079,485 0.585,486 0.774,487 0.678,488 0.822,489 0.379,490 0.784,491 0.685,492 0.944,493 0.83,494 1.087,495 0.528,496 1.026,497 0.816,498 0.946,499 0.953,500 1.187,501 0.719,502 1.145,503 0.715,504 0.664,505 0.824,506 0.811,507 0.615,508 0.855,509 0.688,510 0.752,511 0.872,512 0.962,513 0.591,514 0.985,515 0.532,516 0.742,517 0.905,518 1.063,519 0.471,520 1.129,521 0.786,522 0.833,523 0.918,524 1,525 0.706,526 1.014,527 9,528 0.236,529 5.556,530 3.507,531 2.645,532 1.597,533 1.217,534 0.717,535 0.624,536 0.407,537 15270,538 49659,539 1.984,540 44.3,542 19,547 8,550 1.763,551 1.782,552 3.529,553 -0.7,559 105.844,560 1.735,561 3.622,562 4.834,563 5.115,564 5.115,565 5.115,566 2.938,567 4.712,568 5.061,569 3.721,570 2087.59,571 8.888,572 31198.6,577 361.775,578 1.714,579 4.969,580 0.243,581 0.008,582 0.099,583 0.057,584 0.046,585 0.031,586 0.024,587 0.014,588 0.015,589 0.011,590 0.548,591 0.33,592 0.88,593 0.898,594 180.606,595 -0.032,596 -0.186,597 0.051,598 -0.143,599 -0.056,600 -0.046,601 0.246,602 0.2,603 0.203,604 0.179,605 0.336,606 0.179,607 0.005,608 -0.068,609 0.016,610 -0.074,611 0.048,612 -0.031,613 0.078,614 -0.014,615 -0.019,616 -0.183,617 0.151,618 -0.151,619 0.111,620 0.04,621 0.151,622 0.113,623 0.095,624 0.138,625 -0.016,626 -0.006,627 0.016,628 0.016,629 -0.015,630 0.026,631 0.209,632 0.049,633 -0.001,634 -0.074,635 0.205,636 -0.119,637 -0.056,638 -0.102,639 0.024,640 -0.043,641 -0.03,642 0.005,643 6.144,644 6.379,645 0.618,646 34.145,647 1.028,648 1.152,649 3.448,650 11.892,651 0.636,652 3.638,653 4.043,654 4.331,655 4.595,656 4.812,657 4.956,658 5.124,659 5.242,660 5.342,661 5.447,662 7.199,663 0.625,664 481.54,665 3.638,666 5.231,667 6.107,668 7.022,669 7.915,670 8.83,671 9.729,672 10.644,673 11.547,674 12.462,675 4.9,678 1,681 1,682 1,688 5,693 7,695 12,709 1,710 1,712 1,713 1,714 61,716 13,717 2,718 37,720 64,721 24,722 12,723 7,724 5,730 4,731 5,736 3,740 3,742 1,743 3,745 13,746 11,750 1,755 1,759 1,762 4,764 27,765 10,767 10,773 3,777 0.75,778 3,792 1,793 3,796 1,815 1,819 3,823 4,825 4,827 34,833 4,835 2,837 2,838 3,839 1,846 4,847 4.9,850 1,852 2,854 19.083,855 12.255,856 7.25,857 3.669,858 2.269,859 1.278,860 0.956,861 6.827,862 10.442,863 3.807,864 4.394,865 4.92,866 5.437,867 5.927,868 6.17,869 6.486,870 6.701,871 6.895,872 7.149,873 0.875,874 61,875 13.527,877 6.687,878 8.243,879 23.436,881 19.553,883 2.743,884 93.25,888 317.82,889 139.177,890 9.373,892 47.145,893 59.84,895 139.177,896 364.964,897 69.213,898 36.93,899 11.976,900 47.381,901 25.145,902 104.621,903 21.723,904 317.82,905 7.76,906 317.82,907 148.55,908 106.985,911 238.611,912 186.194,915 40.51,916 108.04,919 377.66,920 56.518,921 139.177,924 325.579,925 47.107,926 93.684,928 106.985,929 317.82,930 116.358,931 139.177,933 0.606,934 0.363,935 0.187,936 0.098,937 28,938 15,939 0.063,940 4,941 1,942 1.095,943 4.174,944 332.096,945 0.095,946 21,947 162.219,951 24.776,952 9.369,953 4.776,955 116.358,956 6.331,961 -0.933,964 573.355,965 44,970 12.884,974 -0.937,975 62.709,976 70.295,977 0.293,978 0.611,979 0.815,980 0.862,981 0.862,982 0.862,983 5.124,984 1.879,985 6.168,986 5.944,987 4.727,988 5.081,989 3.509,990 7.072,991 4.583,992 6.354,993 1.595,994 7.803,995 5.225,996 4.635,997 5.085,998 4.019,999 8.263,1000 4.351,1001 7.694,1002 1.459,1003 9.541,1004 4.925,1005 6.463,1006 7.225,1007 5.564,1008 11.33,1009 6.165,1010 9.066,1011 1.414,1012 11.336,1013 4.304,1014 7.124,1015 7.975,1016 6.736,1017 13.276,1018 6.684,1019 10.467,1020 1.101,1021 13.168,1022 3.176,1023 8.512,1024 9.692,1025 8.102,1026 15.929,1027 8.043,1028 11.889,1029 0.853,1030 15.023,1031 2.915,1032 9.478,1033 10.772,1034 9.406,1035 18.175,1036 8.884,1037 13.327,1038 0.37,1039 16.897,1040 2.222,1041 10.722,1042 12.327,1043 10.748,1044 20.699,1045 10.078,1046 3.393,1047 0.368,1048 18.784,1049 0.865,1050 11.813,1051 13.569,1052 12.081,1053 23.073,1054 11.062,1055 3.237,1056 12.29,1057 20.683,1058 0.64,1059 13.011,1060 15.052,1061 13.421,1062 25.558,1063 12.194,1064 3.021,1065 11.097,1066 22.59,1067 4.153,1068 14.156,1069 16.376,1070 14.76,1071 27.989,1072 13.242,1073 2.778,1074 10.085,1075 24.506,1076 4.117,1077 15.343,1078 17.826,1079 16.101,1080 30.466,1081 14.353,1082 2.652,1083 8.981,1084 26.428,1085 3.394,1086 16.512,1087 19.193,1088 17.442,1089 32.925,1090 15.431,1091 2.253,1092 8.623,1093 28.356,1094 3.167,1095 17.699,1096 20.627,1097 18.783,1098 35.404,1099 16.536,1100 1.954,1101 7.185,1102 30.289,1103 2.943,1104 18.882,1105 22.017,1106 20.125,1107 37.879,1108 17.629,1109 14893,1110 27411,1111 23.293,1112 38.79,1113 57.453,1114 58.036,1115 60.217,1116 57.116,1117 56.935,1118 67.287,1119 18.556,1120 177.595,1121 52.784,1122 5.582,1123 6.476,1124 6.787,1125 5.373,1126 5.393,1127 7.153,1128 5.529,1129 20.012,1130 5.097,1131 23.45,1132 1.553,1133 1.569,1134 1.627,1135 1.544,1136 1.539,1137 1.819,1138 0.502,1139 4.8,1140 1.427,1141 4.059,1142 4.093,1143 4.014,1144 3.949,1145 8.513,1146 3.959,1147 3.933,1148 3.953,1149 3.91,1150 3.837,1151 8.2,1152 3.848,1153 3.842,1154 3.906,1155 3.739,1156 3.672,1157 7.999,1158 3.678,1159 3.518,1160 3.555,1161 3.465,1162 3.307,1163 7.999,1164 3.328,1165 3.367,1166 3.452,1167 3.333,1168 3.217,1169 7.433,1170 3.19,1171 3.342,1172 3.377,1173 3.151,1174 3.041,1175 4.857,1176 3.099,1177 3.225,1178 3.311,1179 3.124,1180 2.963,1181 4.695,1182 2.983,1183 3.188,1184 3.222,1185 3.034,1186 2.896,1187 4.441,1188 2.927,1189 0.124,1190 0.121,1191 0.196,1192 0.115,1193 0.092,1194 4.582,1195 0.112,1196 4.476,1197 0.103,1198 7.265,1199 0.332,1200 4.272,1201 0.084,1202 3.393,1203 4.153,1204 3.825,1205 12.29,1206 3.097,1207 1.925,1208 1.896,1209 2.055,1210 2.079,1211 1.36,1212 2.075,1213 1.88,1214 1.864,1215 1.957,1216 2.002,1217 1.171,1218 1.982,1219 1.768,1220 1.713,1221 1.925,1222 1.917,1223 1.065,1224 1.919,1225 1.501,1226 1.441,1227 1.733,1228 1.741,1229 0.988,1230 1.733,1231 1.405,1232 1.325,1233 1.727,1234 1.606,1235 0.97,1236 1.655,1237 1.231,1238 1.182,1239 1.569,1240 1.531,1241 0.651,1242 1.539,1243 1.174,1244 1.089,1245 1.544,1246 1.479,1247 0.579,1248 1.494,1249 1.106,1250 1.058,1251 1.435,1252 1.436,1253 0.557,1254 1.395,1255 4.317,1257 5.7,1258 2.398,1259 7.27,1260 4.727,1261 8.926,1262 6.843,1263 10.626,1265 7.939,1267 53.456,1271 2.296,1273 10.7,1275 0.596,1276 5.813,1277 -4.894,1280 38.117,1281 105.844,1282 220.938,1283 294.881,1284 312.001,1285 312.001,1286 312.001,1287 94.635,1288 8.173,1289 45.25,1290 45.25,1291 23,1292 12.976,1293 3.807,1294 3,1295 56.796,1296 147,1297 130,1298 0.189,1299 228.086,1300 417.69,1301 548.289,1302 41486,1303 6.6,1304 24.784,1305 0.729,1306 0.572,1307 21.413,1308 19.448,1309 16.006,1310 0.433,1311 0.298,1312 10.766,1313 14.973,1314 10.467,1315 8.627,1316 14.367,1317 11.037,1318 15.749,1319 0.281,1320 0.157,1321 13.365,1322 8.806,1323 13.042,1324 0.174,1325 0.089,1326 11.537,1327 6.662,1328 10.72,1329 0.109,1330 0.047,1331 9.533,1332 4.563,1333 8.238,1334 0.068,1335 0.025,1336 7.429,1337 3,1338 0.295,1339 103.397,1340 0.207,1341 31.033,1342 0.525,1343 186,1344 804.586,1345 224.056,1346 653.484,1347 851.91,1348 606,1349 224,1350 600.591,1351 257.149,1352 578.122,1353 874.95,1354 539,1355 7.5} {0 CHEMBL197796,1 1.559,2 14.469,3 3.427,4 11.741,5 134.007,6 7.011,7 0.343,8 4.257,9 4.391,10 3.817,11 3.757,12 5.234,13 3.708,14 4.838,15 5.049,16 4.135,17 4.151,18 5.742,19 4.077,20 5.065,21 5.283,22 4.216,23 4.353,24 5.939,25 4.248,26 5.199,27 5.435,28 4.125,29 4.385,30 6.078,31 4.244,32 5.246,33 5.522,34 4.061,35 4.313,36 6.091,37 4.171,38 5.088,39 5.347,40 4.012,41 4.23,42 5.908,43 4.084,44 5.027,45 5.289,46 3.988,47 4.162,48 5.909,49 4.009,50 4.987,51 5.247,52 3.885,53 4.038,54 5.914,55 3.918,56 0.04,57 0.993,58 15.787,59 6.01,60 9.183,61 8.38,62 0.444,63 1.598,64 32.328,65 9.616,66 28.694,67 13.746,68 0.436,69 1.927,70 38.599,71 12.869,72 28.293,73 18.294,74 0.355,75 2.018,76 43.657,77 15.467,78 45.055,79 21.811,80 0.642,81 1.968,82 46.377,83 14.612,84 61.464,85 21.665,86 0.47,87 1.768,88 39.218,89 13.24,90 38.496,91 19.099,92 0.474,93 1.689,94 40.283,95 12.763,96 45.234,97 17.976,98 0.477,99 1.544,100 39.371,101 10.813,102 51.32,103 15.515,104 21,105 48,106 0.25,107 0.5,108 0.66,109 0.759,110 0.813,111 0.813,112 3.502,113 1.06,114 -3.51,115 -3.48,116 -3.33,119 36.9,124 3,125 8,140 7,142 5,157 1,169 3,171 1,172 4,174 2,176 2,178 5,181 3,182 5,186 1,189 5,193 5,195 1,202 1,203 6,206 2,214 3,215 3,225 2,226 5,229 1,231 2,237 4,242 2,248 3,256 4,259 1822,260 21.911,261 21.911,262 21.911,263 21.911,264 21.911,265 20.382,266 34.916,267 12.793,268 22.861,269 17.118,270 17.118,271 17.118,272 17.118,273 17.118,274 14.632,275 51.882,276 5.899,277 18.367,278 4.463,279 2.906,280 1.91,281 1.293,282 0.958,283 0.958,284 4.199,289 1,290 998,291 3.24,295 467.866,302 2.252,303 20.99,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 68.5,315 463,316 4.354,317 4.327,318 6.521,319 4.007,320 3.059,321 3.963,322 2.95,323 10.269,324 2.899,325 4.149,326 3.691,327 6.173,328 3.862,329 2.922,330 3.691,331 1.701,332 9.139,333 2.744,334 3.968,335 3.301,336 6.013,337 3.684,338 2.735,339 3.181,340 0.86,341 8.582,342 2.585,343 3.668,344 3.094,345 5.353,346 3.401,347 2.469,348 2.932,349 0.8,350 6.891,351 2.299,352 3.571,353 2.78,354 5.297,355 3.301,356 2.389,357 2.778,358 0.8,359 6.758,360 2.169,361 3.418,362 2.528,363 5.205,364 3.134,365 2.196,366 2.526,367 0.8,368 6.405,369 2.051,370 3.101,371 2.437,372 4.923,373 2.874,374 1.965,375 2.18,376 0.563,377 5.603,378 1.782,379 2.902,380 2.401,381 4.437,382 2.589,383 1.624,384 1.941,385 0.075,386 4.381,387 1.551,388 2.5,389 2.243,390 4.034,391 2.119,392 1.168,393 1.5,395 3.214,396 1.105,397 2.468,398 1.676,399 3.944,400 2.104,401 1.131,402 1.46,404 3.008,405 1.089,406 2.395,407 1.335,408 3.414,409 2,410 1,411 1.335,413 2.275,414 1,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.795,434 1.095,435 3.022,436 1.513,437 0.629,438 0.705,440 1.109,441 0.549,442 1.642,443 1,444 2.831,445 1.303,446 0.498,447 0.551,449 0.771,450 0.39,451 15.5,452 0.484,453 0.691,454 0.022,455 37.75,456 1.18,457 16,458 0.5,459 21.75,460 0.68,461 30.763,462 0.961,463 36.1,464 0.555,465 28.841,466 0.901,467 7.346,468 0.23,469 8.221,470 0.257,471 0.118,473 0.297,479 0.872,480 1.617,481 0.825,482 1.177,483 0.607,484 1.092,485 1.235,486 1.015,487 1.073,488 0.888,489 0.609,490 0.852,491 1.071,492 1.014,493 1.038,494 0.998,495 0.862,496 1.043,497 1.026,498 1.189,499 0.987,500 1.143,501 1.314,502 1.175,503 1.137,504 0.873,505 0.788,506 0.798,507 1.431,508 0.9,509 0.955,510 1.025,511 0.843,512 0.93,513 0.904,514 1.017,515 0.799,516 1.094,517 1.047,518 1.101,519 0.852,520 1.029,521 1.651,522 1.022,523 1.127,524 0.98,525 2.014,526 0.924,527 6.5,528 0.144,529 4,530 1.688,531 1.6,532 1.146,533 0.807,534 0.573,535 0.336,536 0.184,537 15547,538 36008,539 2.082,540 50.8,542 32,545 1,550 1.741,551 1.959,552 3.777,553 -0.341,559 101.34,560 1.559,561 3.116,562 4.112,563 4.729,564 5.064,565 5.064,566 3.254,567 4.476,568 4.969,569 3.947,570 1957.78,571 8.671,572 29680.1,577 391.454,578 1.366,579 4.936,580 0.186,581 0.005,582 0.083,583 0.033,584 0.036,585 0.027,586 0.021,587 0.015,588 0.01,589 0.006,590 0.423,591 0.33,592 1,593 0.781,594 171.019,595 0.006,596 -0.352,597 0.093,598 -0.101,599 0.003,600 -0.041,601 -0.041,602 0.161,603 -0.015,604 0.121,605 0.084,606 0.112,607 -0.063,608 0.102,609 -0.103,610 -0.023,611 -0.021,612 -0.059,613 -0.051,614 -0.198,615 -0.114,616 -0.187,617 -0.075,618 -0.177,619 0.006,620 0.04,621 0.043,622 0.055,623 -0.082,624 0.046,625 0.054,626 -0.062,627 0.016,628 -0.023,629 -0.01,630 -0.045,631 0.164,632 -0.093,633 -0.004,634 -0.092,635 0.164,636 -0.046,637 -0.189,638 -0.05,639 -0.071,640 -0.032,641 -0.089,642 0.007,643 1.711,644 5.921,645 0.75,646 38.246,647 0.994,648 1.133,649 2.277,650 5.186,651 0.65,652 3.584,653 3.892,654 4.159,655 4.369,656 4.625,657 4.682,658 4.796,659 4.836,660 4.89,661 4.99,662 8.117,663 0.602,664 455.69,665 3.584,666 5.118,667 5.964,668 6.828,669 7.688,670 8.555,671 9.42,672 10.29,673 11.157,674 12.028,675 7.7,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 1,714 65,716 13,717 2,718 35,720 68,721 24,722 12,723 5,724 7,730 4,731 4,735 1,745 13,746 11,750 1,755 1,759 1,764 33,765 7,766 1,767 8,768 1,773 5,777 1,778 2,793 4,815 1,819 4,820 1,821 1,823 3,827 32,833 8,834 1,835 1,836 1,838 4,847 3.1,850 1,852 1,854 16.333,855 12.383,856 7.194,857 3.796,858 2.114,859 1.27,860 0.971,861 7.97,862 9.938,863 3.761,864 4.263,865 4.749,866 5.208,867 5.696,868 5.813,869 6.046,870 6.17,871 6.285,872 6.515,873 0.9,874 51,875 11.88,877 4.91,878 7.526,879 23.363,881 19.069,883 2.026,884 64.833,888 376.675,889 161.209,890 30.508,892 36.145,894 32.22,895 128.989,896 412.82,897 30.508,898 26.47,899 37.981,900 66.334,901 25.145,902 35.437,903 4.276,904 408.895,906 376.675,907 159.497,908 36.145,909 32.22,911 376.675,912 36.145,915 41.105,916 118.392,918 32.22,919 376.675,920 66.653,921 161.209,924 376.675,925 68.405,926 105.301,927 18.011,928 36.145,929 376.675,930 66.653,931 161.209,933 0.577,934 0.344,935 0.177,936 0.1,937 22,938 10,939 0.074,940 5,942 1,943 4.38,944 283.936,946 24,947 148,948 1,951 23.394,952 10.902,953 5.79,955 66.653,956 14.532,961 5.169,963 18.011,964 604.537,965 42,970 12.921,974 -0.045,975 64.61,976 73.643,977 0.259,978 0.517,979 0.683,980 0.785,981 0.841,982 0.841,983 5.011,984 1.624,985 5.938,986 5.603,987 4.575,988 4.949,989 3.339,990 6.72,991 4.448,992 6.166,993 1.168,994 7.483,995 4.381,996 4.111,997 4.649,998 1.577,999 7.573,1000 3.903,1001 7.446,1002 1.131,1003 9.123,1004 3.214,1005 6.151,1006 6.983,1007 5.114,1008 10.622,1009 5.903,1010 8.755,1011 1,1012 10.819,1013 3.008,1014 6.494,1015 7.48,1016 2.548,1017 12.285,1018 6.16,1019 10.096,1020 1,1021 12.55,1022 2.275,1023 7.982,1024 9.314,1025 7.207,1026 14.845,1027 7.619,1028 11.457,1029 1,1030 14.306,1031 2.275,1032 8.698,1033 10.182,1034 3.624,1035 16.853,1036 8.255,1037 12.833,1038 0.629,1039 16.079,1040 2.275,1041 9.956,1042 11.8,1043 9.354,1044 19.242,1045 9.48,1046 3.059,1047 0.498,1048 17.866,1049 1.109,1050 10.857,1051 12.868,1052 4.72,1053 21.407,1054 10.31,1055 2.922,1056 10.269,1057 19.664,1058 0.771,1059 12.014,1060 14.375,1061 11.513,1062 23.735,1063 11.428,1064 2.735,1065 9.139,1066 21.471,1067 3.963,1068 13.009,1069 15.559,1070 5.809,1071 25.974,1072 12.357,1073 2.469,1074 8.582,1075 23.284,1076 3.691,1077 14.124,1078 17.005,1079 13.676,1080 28.283,1081 13.428,1082 2.389,1083 6.891,1084 25.104,1085 3.181,1086 15.167,1087 18.259,1088 6.887,1089 30.558,1090 14.41,1091 2.196,1092 6.758,1093 26.93,1094 2.932,1095 16.265,1096 19.67,1097 15.839,1098 32.863,1099 15.461,1100 1.965,1101 6.405,1102 28.76,1103 2.778,1104 17.333,1105 20.967,1106 7.96,1107 35.156,1108 16.471,1109 14796,1110 22656,1111 23.463,1112 42.245,1113 51.86,1114 55.664,1115 53.706,1116 51.534,1117 51.571,1118 61.489,1119 17.1,1120 145.912,1121 48.289,1122 5.354,1123 6.327,1124 6.072,1125 5.075,1126 5.059,1127 6.963,1128 5.9,1129 16.994,1130 4.899,1131 15.587,1132 1.482,1133 1.59,1134 1.534,1135 1.472,1136 1.473,1137 1.757,1138 0.489,1139 4.169,1140 1.38,1141 4.006,1142 4.051,1143 4.018,1144 3.9,1145 7.429,1146 3.897,1147 3.93,1148 3.971,1149 3.924,1150 3.85,1151 4.865,1152 3.845,1153 3.766,1154 3.828,1155 3.727,1156 3.575,1157 4.735,1158 3.584,1159 3.713,1160 3.766,1161 3.625,1162 3.55,1163 4.424,1164 3.552,1165 3.366,1166 3.415,1167 3.466,1168 3.194,1169 4.35,1170 3.145,1171 3.228,1172 3.305,1173 3.231,1174 3.054,1175 4.258,1176 3.035,1177 3.195,1178 3.284,1179 3.021,1180 2.941,1181 3.912,1182 2.94,1183 3.14,1184 3.215,1185 2.999,1186 2.941,1187 3.877,1188 2.91,1189 0.124,1190 0.124,1191 0.186,1192 0.114,1193 0.087,1194 4.354,1195 0.113,1196 4.327,1197 0.084,1198 6.521,1199 0.293,1200 4.007,1201 0.083,1202 3.059,1203 3.963,1204 2.95,1205 10.269,1206 2.899,1207 1.924,1208 1.892,1209 2.039,1210 2.079,1211 1.306,1212 2.07,1213 1.907,1214 1.879,1215 2.023,1216 2.043,1217 1.294,1218 2.043,1219 1.719,1220 1.652,1221 1.905,1222 1.916,1223 1.06,1224 1.918,1225 1.681,1226 1.619,1227 1.863,1228 1.849,1229 1.044,1230 1.863,1231 1.256,1232 1.204,1233 1.573,1234 1.562,1235 0.825,1236 1.555,1237 1.21,1238 1.144,1239 1.54,1240 1.475,1241 0.825,1242 1.501,1243 1.174,1244 1.072,1245 1.517,1246 1.418,1247 0.652,1248 1.486,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.641,1254 1.429,1255 4.263,1257 5.572,1259 7.084,1261 8.679,1263 10.315,1265 5.925,1271 7.014,1272 3.094,1273 5.585,1274 1.749,1276 8.889,1280 39.099,1281 101.34,1282 202.545,1283 267.273,1284 307.415,1285 329.189,1286 329.189,1287 50.508,1288 7.824,1289 51.29,1290 76.59,1291 24,1292 12.571,1293 3.807,1294 3,1295 52.16,1296 157,1297 174,1298 0.16,1299 244.016,1300 425.13,1301 587.159,1302 29475,1304 22.501,1305 0.703,1306 0.626,1307 22.855,1308 20.028,1309 15.567,1310 0.445,1311 0.353,1312 11.049,1313 14.355,1314 10.581,1315 8.768,1316 16.125,1317 12.361,1318 13.608,1319 0.284,1320 0.191,1321 14.101,1322 9.159,1323 11.809,1324 0.187,1325 0.111,1326 12.302,1327 7.022,1328 9.343,1329 0.12,1330 0.059,1331 9.665,1332 4.634,1333 7.694,1334 0.076,1335 0.033,1336 7.963,1337 3.312,1338 0.259,1339 103.503,1340 0.206,1341 30.438,1342 0.42,1343 166,1344 441.245,1345 201.247,1346 441.917,1347 605.37,1348 418,1349 194,1350 428.361,1351 225.168,1352 446.545,1353 649.08,1354 416,1355 6.483} {0 CHEMBL197947,1 1.461,2 14.41,3 4.719,4 22.271,5 153.382,6 7.396,7 0.489,8 4.36,9 4.485,10 3.947,11 3.932,12 5.401,13 3.909,14 4.948,15 5.132,16 4.347,17 4.377,18 5.892,19 4.335,20 5.23,21 5.452,22 4.433,23 4.548,24 6.158,25 4.475,26 5.305,27 5.526,28 4.439,29 4.572,30 6.318,31 4.49,32 5.312,33 5.551,34 4.367,35 4.561,36 6.257,37 4.462,38 5.257,39 5.48,40 4.372,41 4.532,42 6.21,43 4.441,44 5.275,45 5.521,46 4.314,47 4.505,48 6.242,49 4.406,50 5.199,51 5.429,52 4.228,53 4.471,54 6.121,55 4.356,56 0.051,57 1.1,58 14.219,59 6.17,60 11.629,61 8.353,62 0.264,63 1.89,64 28.481,65 10.46,66 20.294,67 14.751,68 0.329,69 2.362,70 40.148,71 14.428,72 35.004,73 20.561,74 0.531,75 2.485,76 43.925,77 15.405,78 65.915,79 21.717,80 0.487,81 2.437,82 45.339,83 16.375,84 63.345,85 23.036,86 0.32,87 2.347,88 41.677,89 15.554,90 52.138,91 21.846,92 0.55,93 2.357,94 44.008,95 15.095,96 67.207,97 21.649,98 0.289,99 2.158,100 39.586,101 15.496,102 43.07,103 21.699,104 14,105 66,106 0.225,107 0.575,108 0.769,109 0.876,110 0.876,111 0.876,112 3.693,113 0.93,114 -5,115 -4.9,116 -4.59,119 44.3,120 1,121 4,125 5,127 1,140 7,141 5,142 2,143 2,145 1,150 1,156 2,164 1,169 12,171 2,172 16,178 12,181 1,182 15,189 9,192 4,193 16,199 9,202 3,203 10,211 9,214 1,215 16,222 11,225 3,226 13,233 11,236 1,237 8,244 12,248 4,249 7,256 14,259 2961,260 27.273,261 27.273,262 27.273,263 27.273,264 27.273,265 24.621,266 36.417,267 15.578,268 27.723,269 22.083,270 22.083,271 22.083,272 22.083,273 22.083,274 17.74,275 43.367,276 7.173,277 22.842,278 4.669,279 2.399,280 1.138,281 0.439,282 0.439,283 0.439,284 4.42,289 1,290 1281,291 3.464,294 253.827,295 379.374,298 266.422,299 145.135,302 2.216,303 30.341,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 82.5,315 562,316 4.647,317 4.057,318 6.92,319 4.276,320 3.304,321 4.535,322 2.035,323 11.609,324 3.21,325 4.55,326 3.783,327 6.748,328 4.143,329 3.175,330 4.262,331 1.2,332 11.054,333 3.08,334 4.236,335 3.351,336 6.559,337 3.949,338 3.004,339 3.713,340 0.8,341 10.343,342 2.84,343 4.064,344 3.233,345 6.188,346 3.796,347 2.84,348 3.59,349 0.8,350 9.206,351 2.713,352 3.929,353 3.101,354 6.029,355 3.608,356 2.621,357 3.144,358 0.293,359 8.518,360 2.584,361 3.789,362 2.933,363 5.699,364 3.382,365 2.408,366 3,368 7.556,369 2.343,370 3.576,371 2.548,372 5.421,373 3.222,374 2.253,375 2.817,377 6.866,378 2.169,379 3.358,380 2.463,381 5.245,382 2.938,383 1.957,384 2.531,386 6.232,387 1.915,388 3.084,389 2.209,390 4.836,391 2.685,392 1.697,393 2.291,395 5.096,396 1.673,397 2.983,398 1.999,399 4.591,400 2.494,401 1.534,402 1.962,404 4.278,405 1.469,406 2.84,407 1.691,408 4.383,409 2.414,410 1.467,411 1.722,413 4.087,414 1.387,415 2.668,416 1.594,417 4.224,418 2.34,419 1.377,420 1.69,422 3.681,423 1.322,424 2.59,425 1.536,426 4.002,427 2.24,428 1.267,429 1.534,431 3.122,432 1.23,433 2.534,434 1.506,435 3.865,436 2.141,437 1.166,438 1.5,440 2.923,441 1.135,442 2.5,443 1.257,444 3.608,445 2.018,446 1.043,447 1.427,449 2.395,450 1.015,451 18.633,452 0.478,453 0.876,454 0.022,455 52,456 1.333,457 25.5,458 0.654,459 26.5,460 0.679,461 38.179,462 0.979,463 40.167,464 0.574,465 41.636,466 1.068,467 9.526,468 0.244,469 9.614,470 0.247,471 0.066,473 0.381,479 0.695,480 1.343,481 0.754,482 1.077,483 0.452,484 0.948,485 0.948,486 1.124,487 0.867,488 0.922,489 0.47,490 0.882,491 1.034,492 1.049,493 0.937,494 0.96,495 0.599,496 0.934,497 1.216,498 1.036,499 1.061,500 1.023,501 1.171,502 1.024,503 1.175,504 0.905,505 1.007,506 0.944,507 1.176,508 0.959,509 1.094,510 1.166,511 1.007,512 1.112,513 0.983,514 1.066,515 1.159,516 0.887,517 1.034,518 0.911,519 0.871,520 0.946,521 0.943,522 1.071,523 1.031,524 1.137,525 0.991,526 1.109,527 6.5,528 0.264,529 5.333,530 2.861,531 2.628,532 1.469,533 1.094,534 0.764,535 0.524,536 0.37,537 26164,538 58936,539 2.216,540 44.3,541 3,542 18,544 2,546 2,547 6,550 1.795,551 2.108,552 3.795,553 -0.789,559 102.238,560 1.461,561 3.731,562 4.992,563 5.69,564 5.69,565 5.69,566 3.267,567 5.029,568 5.254,569 3.938,570 2917.81,571 9.273,572 47905.8,577 429.05,578 1.296,579 5.233,580 0.144,581 0.006,582 0.081,583 0.041,584 0.039,585 0.023,586 0.017,587 0.013,588 0.01,589 0.008,590 0.381,591 0.17,592 0.75,593 0.64,594 216.768,595 0.08,596 -0.189,597 0.09,598 -0.068,599 0.071,600 -0.005,601 0.014,602 -0.009,603 0.053,604 0.045,605 0.044,606 0.054,607 -0.056,608 -0.009,609 0.025,610 0.015,611 0.075,612 0.031,613 -0.003,614 -0.009,615 -0.078,616 -0.057,617 -0.009,618 -0.072,619 -0.057,620 0.076,621 -0.014,622 0.042,623 -0.082,624 0.022,625 -0.039,626 -0.175,627 -0.035,628 -0.117,629 -0.038,630 -0.085,631 -0.029,632 0.114,633 -0.034,634 0.056,635 0.064,636 0.022,637 -0.02,638 -0.115,639 -0.065,640 -0.118,641 -0.017,642 -0.102,643 1.685,644 6.98,645 0.846,646 46.17,647 0.995,648 1.124,649 3.766,650 14.184,651 0.68,652 3.829,653 4.205,654 4.585,655 4.913,656 5.159,657 5.352,658 5.587,659 5.796,660 5.945,661 6.118,662 8.102,663 0.646,664 517.69,665 3.829,666 5.407,667 6.308,668 7.22,669 8.134,670 9.051,671 9.969,672 10.89,673 11.811,674 12.733,675 10,678 1,681 1,682 1,683 1,684 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,697 1,703 1,709 1,714 70,716 24,717 2,718 45,720 76,721 31,722 18,723 6,724 6,725 1,730 7,731 11,736 1,740 4,743 5,744 1,745 19,746 11,750 1,755 1,759 1,764 31,765 7,767 8,773 7,777 0.571,778 1,784 1,786 1,789 1,792 3,793 4,796 2,797 1,815 1,819 4,823 1,827 39,833 9,837 1,838 3,840 1,843 1,845 1,847 1.4,850 1,854 18.5,855 13.15,856 8.472,857 4.757,858 4.501,859 1.464,860 1.038,861 6.11,862 14.197,863 4.094,864 4.703,865 5.369,866 5.981,867 6.526,868 6.948,869 7.425,870 7.853,871 8.264,872 8.58,873 0.9,874 70,875 14.495,877 6.401,878 7.577,879 28.433,881 24.851,883 2.077,884 81,888 364.904,889 160.528,890 75.657,892 25.145,895 160.528,896 390.049,897 75.657,898 8.825,899 23.791,900 66.334,901 103.442,902 77.396,903 5.085,904 341.362,906 364.904,907 236.185,908 25.145,911 294.278,912 95.772,915 86.671,916 116.065,917 33.449,919 364.904,920 100.802,921 160.528,924 364.904,925 50.672,926 104.403,927 16.602,928 89.653,929 364.904,930 100.802,931 160.528,933 0.588,934 0.37,935 0.209,936 0.109,937 36,938 15,939 0.053,940 4,941 3,942 1.182,943 4.851,944 425.047,945 0.182,946 33,947 202.131,951 24.335,952 9.792,953 4.107,954 2.302,955 99.026,956 17.431,957 9.424,961 6.148,962 1.816,964 626.234,965 59,970 13.98,974 -0.019,975 69.643,976 78.68,977 0.238,978 0.609,979 0.814,980 0.928,981 0.928,982 0.928,983 5.378,984 1.957,985 6.308,986 6.866,987 4.89,988 5.391,989 2.645,990 7.189,991 4.825,992 6.591,993 1.697,994 7.908,995 6.232,996 4.511,997 5.223,998 0.766,999 8.207,1000 4.406,1001 7.915,1002 1.534,1003 9.608,1004 5.096,1005 6.553,1006 7.615,1007 3.682,1008 11.352,1009 6.418,1010 9.276,1011 1.467,1012 11.366,1013 4.278,1014 7.04,1015 8.331,1016 0.931,1017 13.196,1018 6.864,1019 10.671,1020 1.377,1021 13.163,1022 4.087,1023 8.517,1024 10.17,1025 4.998,1026 15.854,1027 8.312,1028 12.09,1029 1.267,1030 14.984,1031 3.681,1032 9.38,1033 11.284,1034 1.142,1035 18.025,1036 9.136,1037 13.528,1038 1.166,1039 16.824,1040 3.122,1041 10.649,1042 12.91,1043 6.389,1044 20.524,1045 10.376,1046 3.304,1047 1.043,1048 18.677,1049 2.923,1050 11.677,1051 14.215,1052 1.436,1053 22.831,1054 11.368,1055 3.175,1056 11.609,1057 20.541,1058 2.395,1059 12.87,1060 15.755,1061 7.801,1062 25.276,1063 12.531,1064 3.004,1065 11.054,1066 22.412,1067 4.535,1068 13.971,1069 17.153,1070 1.783,1071 27.644,1072 13.599,1073 2.84,1074 10.343,1075 24.29,1076 4.262,1077 15.14,1078 18.659,1079 9.219,1080 30.072,1081 14.738,1082 2.621,1083 9.206,1084 26.173,1085 3.713,1086 16.274,1087 20.103,1088 2.156,1089 32.469,1090 15.841,1091 2.408,1092 8.518,1093 28.061,1094 3.59,1095 17.436,1096 21.597,1097 10.638,1098 34.893,1099 16.974,1100 2.253,1101 7.556,1102 29.953,1103 3.144,1104 18.587,1105 23.065,1106 2.541,1107 37.305,1108 18.096,1109 23551,1110 35556,1111 31.035,1112 47.631,1113 70.348,1114 72.821,1115 71.378,1116 69.01,1117 68.948,1118 88.026,1119 10.255,1120 208.942,1121 66.77,1122 5.647,1123 6.057,1124 6.471,1125 5.344,1126 5.304,1127 7.535,1128 4.069,1129 19.344,1130 5.21,1131 14.86,1132 1.563,1133 1.618,1134 1.586,1135 1.534,1136 1.532,1137 1.956,1138 0.228,1139 4.643,1140 1.484,1141 4.151,1142 4.185,1143 4.113,1144 4.068,1145 7.428,1146 4.074,1147 4.029,1148 4.07,1149 3.996,1150 3.917,1151 6.82,1152 3.929,1153 3.923,1154 3.984,1155 3.821,1156 3.764,1157 4.978,1158 3.769,1159 3.804,1160 3.836,1161 3.753,1162 3.708,1163 4.931,1164 3.716,1165 3.669,1166 3.726,1167 3.596,1168 3.526,1169 4.58,1170 3.534,1171 3.424,1172 3.501,1173 3.277,1174 3.253,1175 4.488,1176 3.245,1177 3.342,1178 3.429,1179 3.177,1180 3.162,1181 4.391,1182 3.145,1183 3.209,1184 3.25,1185 3.141,1186 3.038,1187 3.999,1188 3.068,1189 0.103,1190 0.09,1191 0.154,1192 0.095,1193 0.073,1194 4.647,1195 0.101,1196 4.057,1197 0.045,1198 6.92,1199 0.258,1200 4.276,1201 0.071,1202 3.304,1203 4.535,1204 2.035,1205 11.609,1206 3.21,1207 2.05,1208 2.029,1209 2.115,1210 2.137,1211 1.358,1212 2.132,1213 1.922,1214 1.894,1215 2.015,1216 2.027,1217 1.265,1218 2.023,1219 1.746,1220 1.682,1221 1.938,1222 1.941,1223 1.19,1224 1.944,1225 1.693,1226 1.659,1227 1.874,1228 1.841,1229 1.158,1230 1.846,1231 1.577,1232 1.506,1233 1.85,1234 1.758,1235 1.054,1236 1.795,1237 1.507,1238 1.442,1239 1.752,1240 1.718,1241 1.022,1242 1.731,1243 1.44,1244 1.39,1245 1.579,1246 1.612,1247 0.808,1248 1.609,1249 1.275,1250 1.218,1251 1.478,1252 1.504,1253 0.687,1254 1.474,1255 4.511,1257 5.872,1258 3.434,1259 7.434,1260 5.778,1261 9.086,1262 7.861,1263 10.786,1265 2.043,1271 8.995,1275 0.614,1276 6.974,1278 9.14,1279 2.151,1280 45.186,1281 102.238,1282 261.152,1283 349.424,1284 398.295,1285 398.295,1286 398.295,1287 59.798,1288 9.696,1289 81.29,1290 81.29,1291 39,1292 13.241,1293 4.644,1294 3.907,1295 50.474,1296 189,1297 228,1298 0.129,1299 269.879,1300 466.21,1301 650.266,1302 279387,1304 26.509,1305 0.68,1306 0.569,1307 26.509,1308 22.176,1309 19.14,1310 0.425,1311 0.31,1312 13.784,1313 18.52,1314 13.503,1315 11.075,1316 19.14,1317 13.943,1318 17.205,1319 0.261,1320 0.163,1321 17.205,1322 10.75,1323 16.209,1324 0.167,1325 0.089,1326 16.209,1327 8.645,1328 14.283,1329 0.106,1330 0.049,1331 14.283,1332 6.63,1333 11.457,1334 0.066,1335 0.026,1336 11.457,1337 4.523,1338 0.203,1339 118.902,1340 0.18,1341 34.96,1342 0.352,1343 222,1344 551.251,1345 238.73,1346 544.922,1347 772.23,1348 514,1349 274,1350 596.831,1351 293.977,1352 604.333,1353 898.51,1354 573,1355 9} {0 CHEMBL197982,1 1.72,2 13.273,3 4.971,4 24.708,5 133.22,6 8.134,7 0.432,8 4.2,9 4.311,10 3.878,11 3.797,12 5.247,13 3.751,14 4.788,15 4.953,16 4.314,17 4.242,18 5.831,19 4.172,20 5.084,21 5.28,22 4.533,23 4.441,24 6.059,25 4.337,26 5.172,27 5.379,28 4.379,29 4.476,30 6.132,31 4.333,32 5.225,33 5.474,34 4.207,35 4.416,36 6.055,37 4.253,38 5.185,39 5.439,40 4.154,41 4.311,42 6.122,43 4.169,44 5.108,45 5.357,46 4.051,47 4.258,48 5.981,49 4.093,50 4.975,51 5.222,52 3.919,53 4.165,54 5.849,55 3.984,56 0.048,57 0.93,58 11.812,59 5.92,60 10.005,61 7.254,62 0.288,63 1.58,64 25.656,65 10.54,66 34.888,67 12.921,68 0.548,69 2.026,70 44.492,71 14.88,72 47.363,73 17.794,74 0.522,75 2.12,76 48.746,77 17.425,78 58.34,79 21.615,80 0.52,81 2.126,82 54.26,83 18.179,84 60.435,85 23.804,86 0.728,87 2.027,88 46.129,89 15.941,90 84.77,91 21.115,92 0.721,93 1.883,94 47.153,95 15.483,96 74.081,97 19.303,98 0.488,99 1.799,100 42.268,101 14.649,102 60.188,103 18.095,104 27,105 54,106 0.278,107 0.621,108 0.808,109 0.893,110 0.898,111 0.898,112 3.532,113 1.015,114 -5.07,115 -4.97,116 -4.65,119 41.7,120 1,121 2,125 5,127 2,140 6,141 3,142 3,150 2,156 1,161 1,162 1,163 1,169 8,172 6,173 1,174 1,178 11,181 1,182 7,186 1,189 12,191 1,192 1,193 5,197 2,199 6,201 2,203 7,208 1,211 4,213 1,214 1,215 6,217 1,218 1,220 1,222 3,224 1,225 1,226 4,233 7,236 1,237 2,239 1,240 1,244 4,249 3,256 4,259 1814,260 22.223,261 22.223,262 22.223,263 22.223,264 22.223,265 20.141,266 27.834,267 12.743,268 22.846,269 18.226,270 18.226,271 18.226,272 18.226,273 18.226,274 15.013,275 37.11,276 5.99,277 19.378,278 4.187,279 2.062,280 0.904,281 0.379,282 0.346,283 0.346,284 4.238,285 1,289 1,290 968,291 3.317,294 74.214,295 369.264,298 140.037,299 151.487,302 2.066,303 35.987,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 71.333,315 438,316 4.599,317 3.673,318 6.865,319 4.184,320 3.264,321 4.474,322 1.151,323 11.385,324 3.074,325 4.553,326 3.362,327 6.701,328 4.125,329 3.153,330 4.305,331 0.98,332 10.882,333 2.978,334 3.931,335 3.319,336 6.111,337 3.772,338 2.828,339 3.257,340 0.8,341 8.803,342 2.661,343 3.841,344 3.061,345 6.063,346 3.564,347 2.613,348 3.104,349 0.8,350 8.589,351 2.475,352 3.694,353 2.901,354 5.73,355 3.387,356 2.445,357 2.84,359 7.694,360 2.297,361 3.381,362 2.834,363 5.424,364 3.08,365 2.121,366 2.645,368 6.516,369 2.004,370 3.335,371 2.411,372 4.972,373 2.971,374 2.036,375 2.477,377 5.753,378 1.888,379 3.031,380 1.999,381 4.586,382 2.587,383 1.605,384 2.254,386 4.561,387 1.573,388 2.786,389 1.94,390 4.464,391 2.468,392 1.512,393 1.856,395 4.028,396 1.436,397 2.725,398 1.686,399 4.198,400 2.394,401 1.49,402 1.739,404 3.721,405 1.37,406 2.63,407 1.605,408 4.069,409 2.383,410 1.404,411 1.628,413 3.416,414 1.323,415 2.457,416 1.49,417 4.014,418 2.186,419 1.295,420 1.45,422 3.325,423 1.089,424 2.253,425 1.417,426 3.498,427 1.898,428 0.973,429 1.179,431 2.331,432 0.886,433 2.17,434 0.999,435 3.373,436 1.783,437 0.833,438 1.101,440 2.008,441 0.775,442 1.684,443 0.855,444 3.231,445 1.504,446 0.601,447 0.646,449 1.469,450 0.52,451 16.2,452 0.491,453 0.925,454 0.028,455 37.5,456 1.136,457 16,458 0.485,459 21.5,460 0.652,461 36.656,462 1.111,463 36,464 0.6,465 27.187,466 0.824,467 7.028,468 0.213,469 8.891,470 0.269,471 0.138,473 0.389,477 1,479 0.674,480 1.11,481 0.654,482 0.923,483 0.583,484 0.902,485 0.871,486 0.956,487 0.733,488 0.815,489 0.488,490 0.842,491 0.997,492 0.937,493 0.842,494 0.908,495 0.798,496 0.911,497 0.681,498 1.074,499 1.121,500 1.245,501 0.535,502 1.191,503 0.617,504 1,505 1.028,506 1.143,507 0.524,508 1.115,509 0.789,510 0.867,511 0.761,512 0.867,513 0.763,514 0.976,515 1.036,516 0.849,517 1.007,518 0.936,519 0.883,520 1,521 0.829,522 1.121,523 1.112,524 1.226,525 0.979,526 1.164,527 6.5,528 0.156,529 4.667,530 2.889,531 2.223,532 1.222,533 0.835,534 0.495,535 0.418,536 0.243,537 16772,538 49012,539 2.112,540 45,542 18,545 2,547 5,548 2,550 1.749,551 1.96,552 3.655,553 0.192,559 103.18,560 1.72,561 3.845,562 5.002,563 5.528,564 5.561,565 5.561,566 3.066,567 4.802,568 5.02,569 3.858,570 2037.12,571 8.767,572 30806.7,577 354.413,578 1.459,579 4.969,580 0.176,581 0.006,582 0.086,583 0.05,584 0.043,585 0.027,586 0.019,587 0.013,588 0.013,589 0.008,590 0.442,591 0.17,592 0.75,593 0.718,594 176.349,595 -0.038,596 -0.054,597 0.043,598 0.027,599 -0.04,600 0.038,601 -0.052,602 0.054,603 0.069,604 0.133,605 0.093,606 0.097,607 -0.072,608 0.071,609 0.109,610 0.094,611 -0.03,612 0.052,613 0.049,614 -0.152,615 -0.115,616 -0.212,617 0.078,618 -0.185,619 0.054,620 -0.151,621 -0.055,622 -0.172,623 0.028,624 -0.092,625 0.077,626 -0.019,627 0.04,628 0.008,629 0.026,630 -0.003,631 -0.095,632 0.026,633 -0.073,634 0.035,635 -0.096,636 -0.016,637 -0.008,638 -0.091,639 -0.132,640 -0.166,641 -0.077,642 -0.145,643 2.14,644 5.658,645 0.758,646 33.545,647 1.006,648 1.125,649 3.838,650 14.729,651 0.688,652 3.638,653 4.007,654 4.331,655 4.625,656 4.875,657 4.977,658 5.081,659 5.182,660 5.278,661 5.328,662 7.798,663 0.646,664 488.07,665 3.638,666 5.209,667 6.089,668 6.991,669 7.886,670 8.792,671 9.692,672 10.599,673 11.501,674 12.408,675 5,678 1,681 1,682 1,687 2,688 6,692 1,693 6,695 16,701 1,709 1,713 2,714 60,716 17,717 2,718 37,720 64,721 25,722 14,723 4,724 6,725 1,730 5,731 7,732 1,736 1,740 3,743 4,745 15,746 10,750 1,755 1,759 1,762 1,764 27,765 6,766 2,767 8,768 2,773 3,777 0.6,778 2,792 1,793 4,796 1,797 1,815 1,818 1,819 3,821 1,823 1,824 1,825 1,827 33,828 1,833 7,835 1,837 2,838 2,842 1,846 2,847 3.3,850 1,851 1,854 16.833,855 10.936,856 7.083,857 3.769,858 3.202,859 1.376,860 1.01,861 6.627,862 11.714,863 3.85,864 4.463,865 5.065,866 5.653,867 6.148,868 6.428,869 6.694,870 6.974,871 7.241,872 7.152,873 0.889,874 58,875 12.295,877 5.411,878 7.761,879 23.781,881 20.565,883 2.261,884 74.611,888 294.278,889 146.176,890 39.146,891 39.149,892 36.145,893 14.96,894 31.278,895 114.898,896 369.571,897 54.106,898 8.825,899 50.981,900 56.857,901 40.849,902 29.959,903 17.677,904 325.555,905 39.149,906 294.278,907 154.044,908 51.105,909 70.426,911 226.84,912 107.543,913 11,915 62.931,916 91.113,917 39.149,918 31.278,919 309.238,920 75.291,921 185.325,924 294.278,925 80.493,926 71.931,928 123.151,929 294.278,930 90.251,931 185.325,933 0.594,934 0.358,935 0.198,936 0.109,937 28,938 13,939 0.078,940 5,941 2,942 1.16,943 4.368,944 316.778,945 0.16,946 25,947 166.465,948 1,951 23.035,952 9.494,953 4.507,954 2.014,955 90.251,956 11.083,960 1.38,961 3.973,963 32.897,964 569.853,965 46,970 11.717,974 -0.473,975 60.36,976 67.515,977 0.291,978 0.651,979 0.847,980 0.936,981 0.941,982 0.941,983 5.13,984 1.605,985 6.098,986 5.753,987 4.691,988 5.15,989 2.013,990 6.959,991 4.57,992 6.339,993 1.512,994 7.692,995 4.561,996 4.369,997 5.066,998 0.57,999 7.953,1000 4.172,1001 7.661,1002 1.49,1003 9.386,1004 4.028,1005 6.337,1006 7.362,1007 1.984,1008 11.08,1009 6.108,1010 9.017,1011 1.404,1012 11.137,1013 3.721,1014 6.825,1015 8.129,1016 0.479,1017 12.897,1018 6.512,1019 10.409,1020 1.295,1021 12.925,1022 3.416,1023 8.283,1024 9.935,1025 2.074,1026 15.548,1027 7.94,1028 11.825,1029 0.973,1030 14.738,1031 3.325,1032 9.137,1033 11.092,1034 0.346,1035 17.702,1036 8.712,1037 13.262,1038 0.833,1039 16.57,1040 2.331,1041 10.4,1042 12.707,1043 2.218,1044 20.194,1045 9.938,1046 3.264,1047 0.601,1048 18.415,1049 2.008,1050 11.421,1051 14.045,1052 0.237,1053 22.492,1054 10.883,1055 3.153,1056 11.385,1057 20.271,1058 1.469,1059 12.611,1060 15.582,1061 2.397,1062 24.929,1063 12.028,1064 2.828,1065 10.882,1066 22.136,1067 4.474,1068 13.706,1069 17,1070 0.158,1071 27.29,1072 13.054,1073 2.613,1074 8.803,1075 24.008,1076 4.305,1077 14.871,1078 18.506,1079 2.602,1080 29.709,1081 14.168,1082 2.445,1083 8.589,1084 25.886,1085 3.257,1086 16.002,1087 19.96,1088 0.104,1089 32.1,1090 15.234,1091 2.121,1092 7.694,1093 27.768,1094 3.104,1095 17.161,1096 21.454,1097 2.826,1098 34.514,1099 16.338,1100 2.036,1101 6.516,1102 29.655,1103 2.84,1104 18.308,1105 22.925,1106 0.068,1107 36.918,1108 17.423,1109 15588,1110 26832,1111 24.679,1112 41.267,1113 56.842,1114 58.151,1115 59.028,1116 56.52,1117 56.349,1118 69.912,1119 7.461,1120 168.97,1121 52.697,1122 5.599,1123 5.673,1124 6.394,1125 5.307,1126 5.264,1127 7.474,1128 2.302,1129 18.824,1130 5.074,1131 17.477,1132 1.536,1133 1.572,1134 1.595,1135 1.528,1136 1.523,1137 1.89,1138 0.202,1139 4.567,1140 1.424,1141 4.109,1142 4.136,1143 4.339,1144 4.057,1145 8.201,1146 4.052,1147 4.001,1148 4.005,1149 4.061,1150 4.01,1151 7.437,1152 3.954,1153 3.827,1154 3.886,1155 3.736,1156 3.661,1157 4.942,1158 3.666,1159 3.542,1160 3.581,1161 3.519,1162 3.396,1163 4.852,1164 3.396,1165 3.474,1166 3.515,1167 3.443,1168 3.34,1169 4.821,1170 3.339,1171 3.364,1172 3.435,1173 3.401,1174 3.205,1175 4.559,1176 3.188,1177 3.271,1178 3.359,1179 3.181,1180 3.106,1181 4.368,1182 3.084,1183 3.125,1184 3.18,1185 3.154,1186 2.953,1187 4.206,1188 2.943,1189 0.124,1190 0.099,1191 0.186,1192 0.113,1193 0.088,1194 4.599,1195 0.121,1196 3.673,1197 0.031,1198 6.865,1199 0.308,1200 4.184,1201 0.083,1202 3.264,1203 4.474,1204 1.151,1205 11.385,1206 3.074,1207 2.074,1208 2.054,1209 2.15,1210 2.15,1211 1.389,1212 2.152,1213 1.831,1214 1.79,1215 2.009,1216 2.008,1217 1.289,1218 2.014,1219 1.743,1220 1.697,1221 1.906,1222 1.902,1223 1.216,1224 1.909,1225 1.547,1226 1.547,1227 1.709,1228 1.7,1229 1.037,1230 1.695,1231 1.464,1232 1.427,1233 1.652,1234 1.618,1235 0.9,1236 1.622,1237 1.368,1238 1.306,1239 1.605,1240 1.568,1241 0.678,1242 1.598,1243 1.299,1244 1.216,1245 1.487,1246 1.511,1247 0.638,1248 1.55,1249 1.073,1250 1.018,1251 1.336,1252 1.271,1253 0.546,1254 1.297,1255 4.317,1257 5.673,1258 2.398,1259 7.228,1260 4.844,1261 8.873,1262 7.05,1263 10.566,1265 2.247,1266 6.416,1267 13.658,1269 5.499,1271 5.839,1273 6.059,1275 0.313,1276 4.887,1280 38.74,1281 103.18,1282 230.683,1283 300.149,1284 331.659,1285 333.659,1286 333.659,1287 63.561,1288 8.512,1289 58.8,1290 87.04,1291 29,1292 12.926,1293 4.17,1294 3.322,1295 48.11,1296 158,1297 143,1298 0.149,1299 239.23,1300 415.81,1301 575.482,1302 69864,1303 3.3,1304 23.112,1305 0.7,1306 0.609,1307 23.095,1308 20.093,1309 15.919,1310 0.43,1311 0.338,1312 11.277,1313 14.677,1314 10.931,1315 8.904,1316 16.222,1317 12.513,1318 14.846,1319 0.275,1320 0.19,1321 15.135,1322 10.254,1323 12.886,1324 0.172,1325 0.115,1326 14.049,1327 8.633,1328 11.077,1329 0.11,1330 0.066,1331 12.309,1332 6.688,1333 9.045,1334 0.07,1335 0.037,1336 9.93,1337 4.762,1338 0.238,1339 106.56,1340 0.201,1341 30.827,1342 0.395,1343 182,1344 541.248,1345 238.587,1346 545.191,1347 729.88,1348 510,1349 220,1350 490.248,1351 279.976,1352 514.927,1353 767.31,1354 487,1355 7.347} {0 CHEMBL198488,1 1.452,2 14.923,3 4.956,4 24.56,5 155.338,6 7.218,7 0.5,8 4.371,9 4.501,10 3.931,11 3.928,12 5.424,13 3.899,14 4.945,15 5.14,16 4.319,17 4.349,18 5.896,19 4.305,20 5.212,21 5.432,22 4.429,23 4.536,24 6.163,25 4.468,26 5.326,27 5.545,28 4.442,29 4.601,30 6.342,31 4.511,32 5.389,33 5.64,34 4.367,35 4.6,36 6.307,37 4.484,38 5.325,39 5.575,40 4.336,41 4.531,42 6.232,43 4.424,44 5.249,45 5.498,46 4.285,47 4.461,48 6.224,49 4.362,50 5.173,51 5.403,52 4.236,53 4.45,54 6.128,55 4.348,56 0.059,57 1.119,58 15.1,59 6.361,60 13.032,61 8.793,62 0.281,63 1.872,64 29.553,65 10.454,66 22.51,67 15.148,68 0.352,69 2.329,70 39.954,71 13.875,72 35.737,73 20.128,74 0.52,75 2.52,76 45.251,77 16.09,78 67.039,79 22.966,80 0.503,81 2.567,82 49.932,83 17.956,84 69.103,85 25.79,86 0.402,87 2.428,88 46.67,89 16.47,90 57.632,91 23.882,92 0.532,93 2.272,94 43.373,95 14.525,96 65.785,97 21.267,98 0.344,99 2.12,100 39.084,101 14.422,102 45.864,103 20.506,104 35,105 64,106 0.223,107 0.558,108 0.732,109 0.828,110 0.828,111 0.828,112 3.693,113 0.94,114 -5,115 -4.9,116 -4.59,119 43.1,120 3,121 2,125 5,127 1,140 7,141 5,142 2,143 2,145 1,150 1,156 2,164 1,169 11,171 2,172 16,178 13,181 1,182 14,189 9,192 4,193 15,199 9,202 3,203 11,211 8,214 1,215 15,222 8,225 3,226 15,233 9,236 1,237 7,244 13,248 4,249 6,256 16,259 3042,260 26.825,261 26.825,262 26.825,263 26.825,264 26.825,265 24.173,266 36.417,267 15.304,268 27.302,269 21.546,270 21.546,271 21.546,272 21.546,273 21.546,274 17.203,275 44.099,276 7.008,277 22.326,278 4.718,279 2.536,280 1.408,281 0.781,282 0.781,283 0.781,284 4.407,289 1,290 1286,291 3.808,294 176.835,295 411.219,298 131.392,299 152.348,302 2.237,303 30.71,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 82.5,315 582,316 4.646,317 4.057,318 6.92,319 4.275,320 3.303,321 4.535,322 2.035,323 11.608,324 3.21,325 4.549,326 3.783,327 6.744,328 4.138,329 3.168,330 4.262,331 1.2,332 11.038,333 3.078,334 4.233,335 3.324,336 6.553,337 3.914,338 2.966,339 3.713,340 0.8,341 10.316,342 2.815,343 4.06,344 3.211,345 6.045,346 3.688,347 2.743,348 3.589,349 0.8,350 8.586,351 2.616,352 3.839,353 3.054,354 5.927,355 3.601,356 2.62,357 3.138,358 0.293,359 8.197,360 2.54,361 3.747,362 2.929,363 5.712,364 3.392,365 2.422,366 2.962,368 7.579,369 2.348,370 3.581,371 2.552,372 5.423,373 3.244,374 2.271,375 2.718,377 6.87,378 2.195,379 3.362,380 2.485,381 5.245,382 2.947,383 1.966,384 2.533,386 6.238,387 1.923,388 3.101,389 2.209,390 4.84,391 2.71,392 1.721,393 2.303,395 5.111,396 1.698,397 2.983,398 2.008,399 4.593,400 2.457,401 1.507,402 2,404 4.164,405 1.429,406 2.871,407 1.64,408 4.27,409 2.372,410 1.402,411 1.729,413 3.781,414 1.356,415 2.674,416 1.572,417 4.004,418 2.247,419 1.276,420 1.712,422 3.122,423 1.236,424 2.612,425 1.506,426 3.879,427 2.161,428 1.198,429 1.5,431 2.936,432 1.151,433 2.5,434 1.317,435 3.729,436 2.034,437 1.074,438 1.476,440 2.747,441 1.028,442 2.463,443 1.236,444 3.607,445 2,446 1,447 1.144,449 2.275,450 1,451 18.633,452 0.478,453 0.952,454 0.024,455 51.5,456 1.321,457 25.5,458 0.654,459 26,460 0.667,461 39.179,462 1.005,463 40.767,464 0.566,465 41.997,466 1.077,467 9.558,468 0.245,469 9.42,470 0.242,471 0.12,473 0.381,479 0.704,480 1.387,481 0.787,482 1.12,483 0.491,484 0.988,485 0.957,486 1.115,487 0.836,488 0.89,489 0.476,490 0.847,491 1.122,492 1.026,493 0.944,494 0.922,495 0.641,496 0.905,497 1.162,498 1.072,499 1.075,500 1.077,501 1.174,502 1.07,503 1.082,504 0.939,505 0.987,506 0.977,507 1.111,508 0.978,509 1.099,510 1.069,511 0.96,512 1.012,513 0.914,514 0.981,515 1.161,516 0.936,517 0.998,518 0.915,519 0.873,520 0.93,521 1.125,522 1,523 1.037,524 1.035,525 1.081,526 1.031,527 7,528 0.322,529 5.556,530 2.979,531 2.642,532 1.563,533 1.153,534 0.852,535 0.573,536 0.41,537 25008,538 57066,539 2.139,540 45.8,541 3,542 18,544 2,546 2,547 8,550 1.795,551 2,552 3.829,553 -0.789,559 104.538,560 1.452,561 3.634,562 4.762,563 5.388,564 5.388,565 5.388,566 3.338,567 4.875,568 5.251,569 3.976,570 2945.92,571 9.27,572 48805.1,577 444.235,578 1.416,579 5.217,580 0.159,581 0.007,582 0.087,583 0.043,584 0.039,585 0.025,586 0.019,587 0.015,588 0.01,589 0.008,590 0.412,591 0.17,592 0.75,593 0.8,594 217.441,595 0.086,596 -0.209,597 0.084,598 -0.083,599 0.045,600 -0.017,601 0.036,602 0.007,603 0.107,604 0.087,605 0.056,606 0.104,607 -0.086,608 0.044,609 0.022,610 0.052,611 0.055,612 0.054,613 0.012,614 -0.038,615 -0.098,616 -0.095,617 -0.017,618 -0.106,619 -0.017,620 0.026,621 0.006,622 0.016,623 -0.065,624 0.013,625 -0.029,626 -0.097,627 0.034,628 -0.025,629 -0.006,630 0.005,631 0.005,632 0.07,633 0.004,634 0.049,635 0.092,636 0.034,637 -0.087,638 -0.001,639 -0.065,640 -0.033,641 -0.036,642 -0.043,643 1.694,644 6.955,645 0.769,646 48.615,647 0.993,648 1.126,649 3.766,650 14.184,651 0.672,652 3.807,653 4.174,654 4.533,655 4.836,656 5.094,657 5.283,658 5.509,659 5.697,660 5.852,661 6.006,662 8.277,663 0.635,664 519.71,665 3.807,666 5.38,667 6.271,668 7.177,669 8.084,670 8.996,671 9.91,672 10.826,673 11.743,674 12.663,675 9.7,678 1,681 1,682 1,683 1,684 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,697 1,703 1,709 1,714 72,716 24,717 2,718 44,720 77,721 31,722 18,723 6,724 6,725 1,730 6,731 9,736 3,740 1,743 3,744 1,745 19,746 11,750 1,755 1,759 1,764 33,765 7,767 8,773 7,777 0.667,778 1,784 1,786 1,792 2,793 4,796 1,797 1,815 1,819 4,823 3,827 39,833 7,837 1,838 3,840 1,843 1,845 1,847 1.4,850 1,854 19.5,855 14.15,856 8.556,857 4.84,858 4.494,859 1.481,860 1.009,861 6.849,862 13.842,863 4.078,864 4.684,865 5.345,866 5.955,867 6.508,868 6.929,869 7.405,870 7.828,871 8.233,872 8.54,873 1,874 70,875 14.47,877 6.255,878 7.603,879 28.215,881 23.995,883 2.103,884 82,888 388.446,889 173.109,890 75.657,892 25.145,895 173.109,896 413.591,897 75.657,898 26.476,899 18.722,900 66.334,901 103.442,902 77.396,903 5.085,904 364.904,906 388.446,907 248.766,908 25.145,911 294.278,912 119.314,915 99.253,916 116.065,917 33.449,919 388.446,920 100.802,921 173.109,924 388.446,925 45.603,926 122.054,927 16.602,928 89.653,929 388.446,930 100.802,931 173.109,933 0.588,934 0.366,935 0.199,936 0.106,937 33,938 15,939 0.065,940 5,941 2,942 1.133,943 4.777,944 413.219,945 0.133,946 30,947 196.131,951 25.558,952 10.452,953 4.585,954 2.264,955 99.026,956 17.337,957 9.372,961 6.074,962 1.81,964 662.358,965 58,970 13.955,974 -0.027,975 71.527,976 81.095,977 0.235,978 0.589,979 0.772,980 0.873,981 0.873,982 0.873,983 5.354,984 1.966,985 6.275,986 6.87,987 4.86,988 5.373,989 2.645,990 7.149,991 4.792,992 6.573,993 1.721,994 7.875,995 6.238,996 4.511,997 5.223,998 0.766,999 8.174,1000 4.406,1001 7.897,1002 1.507,1003 9.575,1004 5.111,1005 6.518,1006 7.604,1007 3.682,1008 11.305,1009 6.38,1010 9.258,1011 1.402,1012 11.334,1013 4.164,1014 7.013,1015 8.323,1016 0.931,1017 13.15,1018 6.837,1019 10.652,1020 1.276,1021 13.129,1022 3.781,1023 8.477,1024 10.163,1025 4.998,1026 15.805,1027 8.271,1028 12.071,1029 1.198,1030 14.95,1031 3.122,1032 9.339,1033 11.278,1034 1.142,1035 17.978,1036 9.097,1037 13.508,1038 1.074,1039 16.789,1040 2.936,1041 10.602,1042 12.906,1043 6.389,1044 20.478,1045 10.331,1046 3.303,1047 1,1048 18.641,1049 2.747,1050 11.628,1051 14.211,1052 1.436,1053 22.789,1054 11.324,1055 3.168,1056 11.608,1057 20.503,1058 2.275,1059 12.818,1060 15.752,1061 7.801,1062 25.236,1063 12.486,1064 2.966,1065 11.038,1066 22.374,1067 4.535,1068 13.917,1069 17.151,1070 1.783,1071 27.608,1072 13.555,1073 2.743,1074 10.316,1075 24.252,1076 4.262,1077 15.084,1078 18.657,1079 9.219,1080 30.038,1081 14.694,1082 2.62,1083 8.586,1084 26.135,1085 3.713,1086 16.218,1087 20.102,1088 2.156,1089 32.438,1090 15.799,1091 2.422,1092 8.197,1093 28.023,1094 3.589,1095 17.38,1096 21.596,1097 10.638,1098 34.864,1099 16.934,1100 2.271,1101 7.579,1102 29.915,1103 3.138,1104 18.531,1105 23.065,1106 2.541,1107 37.279,1108 18.057,1109 23244,1110 35375,1111 29.649,1112 48.393,1113 68.857,1114 71.239,1115 70.316,1116 67.214,1117 67.16,1118 86.237,1119 10.255,1120 202.109,1121 64.973,1122 5.646,1123 6.057,1124 6.471,1125 5.342,1126 5.303,1127 7.535,1128 4.069,1129 19.342,1130 5.21,1131 19.62,1132 1.565,1133 1.619,1134 1.598,1135 1.528,1136 1.526,1137 1.96,1138 0.233,1139 4.593,1140 1.477,1141 4.148,1142 4.181,1143 4.111,1144 4.066,1145 7.428,1146 4.072,1147 4.029,1148 4.069,1149 3.996,1150 3.917,1151 6.82,1152 3.929,1153 3.854,1154 3.921,1155 3.776,1156 3.714,1157 4.978,1158 3.725,1159 3.796,1160 3.831,1161 3.719,1162 3.656,1163 4.931,1164 3.663,1165 3.662,1166 3.721,1167 3.581,1168 3.516,1169 4.58,1170 3.522,1171 3.477,1172 3.557,1173 3.307,1174 3.311,1175 4.486,1176 3.297,1177 3.343,1178 3.43,1179 3.182,1180 3.162,1181 4.374,1182 3.146,1183 3.209,1184 3.247,1185 3.142,1186 3.039,1187 4.067,1188 3.068,1189 0.106,1190 0.092,1191 0.157,1192 0.097,1193 0.075,1194 4.646,1195 0.103,1196 4.057,1197 0.046,1198 6.92,1199 0.264,1200 4.275,1201 0.073,1202 3.303,1203 4.535,1204 2.035,1205 11.608,1206 3.21,1207 2.05,1208 2.029,1209 2.117,1210 2.14,1211 1.351,1212 2.135,1213 1.922,1214 1.894,1215 2.015,1216 2.027,1217 1.263,1218 2.023,1219 1.789,1220 1.72,1221 1.998,1222 1.989,1223 1.158,1224 1.997,1225 1.694,1226 1.66,1227 1.874,1228 1.842,1229 1.061,1230 1.846,1231 1.535,1232 1.47,1233 1.805,1234 1.728,1235 1.03,1236 1.758,1237 1.491,1238 1.419,1239 1.747,1240 1.715,1241 1.006,1242 1.727,1243 1.423,1244 1.367,1245 1.577,1246 1.596,1247 0.825,1248 1.6,1249 1.275,1250 1.218,1251 1.513,1252 1.502,1253 0.682,1254 1.472,1255 4.489,1257 5.844,1258 3.045,1259 7.401,1260 5.416,1261 9.047,1262 7.535,1263 10.74,1265 6.536,1271 6.063,1275 0.546,1276 6.788,1278 9.135,1279 2.148,1280 45.713,1281 104.538,1282 261.65,1283 342.835,1284 387.97,1285 387.97,1286 387.97,1287 64.835,1288 9.348,1289 81.29,1290 81.29,1291 34,1292 13.172,1293 4.644,1294 3.907,1295 55.177,1296 192,1297 228,1298 0.139,1299 277.273,1300 478.57,1301 668.306,1302 181670,1304 27.095,1305 0.695,1306 0.584,1307 27.095,1308 22.762,1309 18.978,1310 0.431,1311 0.313,1312 13.623,1313 18.346,1314 13.231,1315 10.944,1316 18.978,1317 13.781,1318 17.099,1319 0.267,1320 0.165,1321 17.099,1322 10.589,1323 15.638,1324 0.17,1325 0.088,1326 15.638,1327 8.103,1328 13.395,1329 0.107,1330 0.047,1331 13.395,1332 5.896,1333 10.811,1334 0.067,1335 0.025,1336 10.811,1337 3.997,1338 0.22,1339 117.931,1340 0.184,1341 35.031,1342 0.379,1343 216,1344 545.251,1345 232.73,1346 539.594,1347 761.53,1348 508,1349 264,1350 586.831,1351 283.478,1352 595.029,1353 880.55,1354 563,1355 8.1} {0 CHEMBL198975,1 1.462,2 12.824,3 3.684,4 13.57,5 135.807,6 7.3,7 0.564,8 4.238,9 4.366,10 3.815,11 3.79,12 5.27,13 3.768,14 4.806,15 4.998,16 4.203,17 4.214,18 5.766,19 4.179,20 5.043,21 5.25,22 4.283,23 4.386,24 5.994,25 4.319,26 5.162,27 5.389,28 4.272,29 4.412,30 6.169,31 4.325,32 5.138,33 5.376,34 4.207,35 4.395,36 6.081,37 4.3,38 5.078,39 5.294,40 4.182,41 4.362,42 6.015,43 4.262,44 5.104,45 5.367,46 4.058,47 4.256,48 6.042,49 4.15,50 4.926,51 5.156,52 3.984,53 4.188,54 5.853,55 4.086,56 0.051,57 0.978,58 12.951,59 5.407,60 8.92,61 7.429,62 0.277,63 1.641,64 25.415,65 8.698,66 20.034,67 12.527,68 0.273,69 1.982,70 32.925,71 11.774,72 26.642,73 16.776,74 0.474,75 2.113,76 38.688,77 13.615,78 57.167,79 19.326,80 0.454,81 2.031,82 38.379,83 13.719,84 53.486,85 19.314,86 0.179,87 1.967,88 34.421,89 13.201,90 34.89,91 18.766,92 0.509,93 1.928,94 38.268,95 12.187,96 57.904,97 17.936,98 0.268,99 1.634,100 30.505,101 11.379,102 34.657,103 15.98,104 10,105 57,106 0.232,107 0.561,108 0.736,109 0.831,110 0.838,111 0.838,112 3.561,113 0.913,114 -5.04,115 -4.94,116 -4.63,119 43.5,120 1,121 1,124 1,125 5,140 8,141 4,142 2,143 2,145 1,150 1,156 1,164 1,169 10,171 2,172 13,178 12,181 1,182 11,189 8,192 4,193 12,199 9,202 3,203 7,211 6,215 15,222 6,225 2,226 13,233 3,236 1,237 5,244 7,248 4,249 5,256 11,259 2026,260 23.43,261 23.43,262 23.43,263 23.43,264 23.43,265 20.79,266 28.717,267 13.547,268 23.894,269 19.237,270 19.237,271 19.237,272 19.237,273 19.237,274 15.16,275 35.719,276 6.416,277 19.971,278 4.492,279 2.418,280 1.314,281 0.714,282 0.67,283 0.67,284 4.28,289 1,290 983,291 3,294 144.829,295 340.585,298 107.19,299 124.428,302 1.903,303 22.591,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 436,316 4.643,317 3.78,318 6.896,319 4.268,320 3.297,321 4.535,322 1.2,323 11.497,324 3.204,325 4.533,326 3.315,327 6.724,328 4.122,329 3.153,330 4.241,331 0.8,332 10.916,333 3.062,334 4.221,335 3.181,336 6.534,337 3.9,338 2.952,339 3.675,340 0.8,341 10.223,342 2.801,343 3.93,344 3.005,345 6.038,346 3.584,347 2.614,348 3.425,349 0.293,350 8.55,351 2.537,352 3.697,353 2.722,354 5.739,355 3.422,356 2.46,357 3.018,359 7.678,360 2.352,361 3.456,362 2.434,363 5.341,364 3.148,365 2.206,366 2.736,368 6.359,369 2.083,370 3.328,371 2.352,372 5.045,373 2.991,374 2.013,375 2.45,377 5.965,378 1.955,379 3.059,380 1.995,381 4.796,382 2.694,383 1.715,384 2.247,386 5.018,387 1.674,388 2.965,389 1.634,390 4.568,391 2.531,392 1.553,393 2.125,395 4.229,396 1.517,397 2.793,398 1.588,399 4.227,400 2.352,401 1.414,402 1.871,404 3.637,405 1.323,406 2.568,407 1.513,408 3.948,409 2.192,410 1.218,411 1.593,413 3.051,414 1.181,415 2.529,416 1.327,417 3.841,418 2.115,419 1.144,420 1.535,422 2.881,423 1.108,424 2.5,425 1.252,426 3.611,427 2.064,428 1.097,429 1.5,431 2.615,432 1.058,433 2.394,434 1.146,435 3.463,436 2,437 1,438 1.365,440 2.275,441 1,442 2.174,443 1.017,444 3.414,445 1.967,446 1,447 1,449 2.136,450 0.965,451 16.233,452 0.477,453 0.833,454 0.024,455 45.75,456 1.346,457 22.5,458 0.662,459 23.25,460 0.684,461 30.361,462 0.893,463 35.367,464 0.57,465 35.916,466 1.056,467 8.945,468 0.263,469 7.653,470 0.225,471 0.082,473 0.376,479 0.721,480 1.412,481 0.767,482 1.109,483 0.548,484 0.969,485 1.054,486 1.067,487 0.857,488 0.831,489 0.596,490 0.809,491 1.095,492 1.097,493 0.99,494 1.009,495 0.785,496 0.982,497 1.153,498 1.03,499 1.029,500 1.029,501 1.381,502 1.019,503 1.233,504 0.83,505 0.986,506 0.871,507 1.523,508 0.901,509 0.897,510 1.323,511 1.033,512 1.262,513 0.947,514 1.182,515 1.277,516 0.889,517 1.041,518 0.872,519 1.167,520 0.912,521 1.127,522 1.011,523 1.021,524 1.053,525 1.313,526 1.036,527 5.5,528 0.225,529 4.667,530 2.667,531 2.126,532 1.264,533 0.986,534 0.624,535 0.406,536 0.292,537 17511,538 38413,539 2.197,540 45.2,542 21,544 2,546 3,547 2,550 1.762,551 2.082,552 3.63,553 -0.788,559 90.662,560 1.462,561 3.537,562 4.64,563 5.24,564 5.285,565 5.285,566 3.091,567 4.793,568 5.057,569 3.765,570 2111.89,571 8.879,572 31182.1,574 1,577 369.16,578 1.325,579 5.031,580 0.141,581 0.007,582 0.082,583 0.044,584 0.037,585 0.023,586 0.019,587 0.014,588 0.009,589 0.008,590 0.385,591 0.5,592 0.88,593 0.459,594 180.538,595 0.09,596 -0.237,597 0.094,598 -0.095,599 0.015,600 -0.02,601 -0.007,602 0.074,603 0.083,604 0.121,605 0.039,606 0.117,607 -0.085,608 -0.023,609 -0.041,610 -0.037,611 0.038,612 -0.03,613 0.05,614 -0.017,615 -0.043,616 -0.056,617 0.023,618 -0.059,619 -0.072,620 0.156,621 0.006,622 0.114,623 -0.128,624 0.075,625 -0.008,626 -0.323,627 -0.084,628 -0.256,629 -0.007,630 -0.193,631 -0.05,632 0.102,633 -0.017,634 0.071,635 0.057,636 0.043,637 -0.058,638 -0.035,639 -0.046,640 -0.052,641 -0.021,642 -0.048,643 1.664,644 6.675,645 0.882,646 35.54,647 0.994,648 1.125,649 3.809,650 14.508,651 0.675,652 3.689,653 4.06,654 4.419,655 4.736,656 4.99,657 5.153,658 5.375,659 5.568,660 5.71,661 5.866,662 7.25,663 0.639,664 452.61,665 3.689,666 5.263,667 6.155,668 7.062,669 7.969,670 8.884,671 9.798,672 10.716,673 11.633,674 12.554,675 9.7,678 1,681 1,682 1,683 1,685 2,687 2,688 10,689 2,693 6,694 1,695 22,703 1,709 1,714 62,716 23,717 2,718 39,720 67,721 27,722 18,723 5,724 7,725 1,730 6,731 9,736 1,740 1,743 1,745 19,746 8,750 1,755 1,759 1,764 28,765 6,767 7,773 6,777 0.667,778 1,784 1,786 1,792 2,793 4,796 1,797 1,815 1,819 4,823 2,827 34,833 6,838 3,847 1.6,850 1,854 16.333,855 11.95,856 7.278,857 3.875,858 4.246,859 1.474,860 1.04,861 5.356,862 13.213,863 3.951,864 4.588,865 5.242,866 5.869,867 6.42,868 6.811,869 7.283,870 7.711,871 8.097,872 8.383,873 0.889,874 60,875 12.621,877 5.497,878 7.529,879 24.717,881 21.152,883 2.029,884 69,888 329.591,889 151.009,890 44.598,892 25.145,895 151.009,896 354.736,897 44.598,898 17.222,899 16.187,900 75.81,901 86.84,902 43.151,903 5.085,904 306.049,906 329.591,907 195.607,908 25.145,911 306.049,912 48.687,915 48.008,916 114.151,917 33.449,919 329.591,920 69.743,921 151.009,924 329.591,925 39.883,926 122.276,928 58.593,929 329.591,930 69.743,931 151.009,933 0.592,934 0.362,935 0.202,936 0.109,937 31,938 13,939 0.045,940 3,941 2,942 1.133,943 4.452,944 347.783,945 0.133,946 30,947 164.974,951 21.334,952 8.535,953 3.711,954 2.298,955 67.966,956 20.016,957 9.265,961 5.667,962 1.833,964 550.343,965 51,970 13.675,974 0.003,975 61.658,976 69.766,977 0.246,978 0.594,979 0.779,980 0.88,981 0.888,982 0.888,983 5.218,984 1.715,985 6.155,986 5.965,987 4.745,988 5.276,989 1.758,990 7.027,991 4.675,992 6.432,993 1.553,994 7.751,995 5.018,996 4.369,997 5.112,998 0.766,999 8.034,1000 4.256,1001 7.754,1002 1.414,1003 9.449,1004 4.229,1005 6.395,1006 7.513,1007 1.696,1008 11.189,1009 6.254,1010 9.116,1011 1.218,1012 11.208,1013 3.637,1014 6.878,1015 8.227,1016 0.931,1017 13.032,1018 6.698,1019 10.514,1020 1.144,1021 13.005,1022 3.051,1023 8.357,1024 10.084,1025 1.83,1026 15.701,1027 8.15,1028 11.937,1029 1.097,1030 14.83,1031 2.881,1032 9.218,1033 11.201,1034 1.142,1035 17.868,1036 8.977,1037 13.38,1038 1,1039 16.673,1040 2.615,1041 10.492,1042 12.84,1043 2.038,1044 20.374,1045 10.223,1046 3.297,1047 1,1048 18.53,1049 2.275,1050 11.521,1051 14.15,1052 1.436,1053 22.678,1054 11.221,1055 3.153,1056 11.497,1057 20.397,1058 2.136,1059 12.719,1060 15.698,1061 2.286,1062 25.124,1063 12.391,1064 2.952,1065 10.916,1066 22.272,1067 4.535,1068 13.822,1069 17.1,1070 1.783,1071 27.487,1072 13.465,1073 2.614,1074 10.223,1075 24.154,1076 4.241,1077 14.995,1078 18.612,1079 2.561,1080 29.912,1081 14.609,1082 2.46,1083 8.55,1084 26.04,1085 3.675,1086 16.132,1087 20.059,1088 2.156,1089 32.303,1090 15.718,1091 2.206,1092 7.678,1093 27.931,1094 3.425,1095 17.297,1096 21.557,1097 2.856,1098 34.722,1099 16.856,1100 2.013,1101 6.359,1102 29.826,1103 3.018,1104 18.451,1105 23.028,1106 2.541,1107 37.126,1108 17.982,1109 15933,1110 23783,1111 26.759,1112 41.864,1113 60.525,1114 60.995,1115 61.896,1116 59.976,1117 59.887,1118 77.564,1119 6.186,1120 179.887,1121 57.845,1122 5.643,1123 5.78,1124 6.698,1125 5.336,1126 5.297,1127 7.535,1128 2.293,1129 19.228,1130 5.204,1131 13.304,1132 1.552,1133 1.564,1134 1.587,1135 1.538,1136 1.536,1137 1.989,1138 0.159,1139 4.612,1140 1.483,1141 4.144,1142 4.177,1143 4.108,1144 4.064,1145 7.428,1146 4.07,1147 4.018,1148 4.061,1149 3.983,1150 3.896,1151 4.983,1152 3.909,1153 3.827,1154 3.895,1155 3.742,1156 3.683,1157 4.941,1158 3.692,1159 3.757,1160 3.798,1161 3.67,1162 3.611,1163 4.642,1164 3.619,1165 3.634,1166 3.693,1167 3.546,1168 3.485,1169 4.487,1170 3.49,1171 3.225,1172 3.316,1173 3.133,1174 3.025,1175 4.347,1176 3.023,1177 3.148,1178 3.206,1179 3.035,1180 2.973,1181 3.932,1182 2.985,1183 3.111,1184 3.202,1185 2.945,1186 2.941,1187 3.857,1188 2.91,1189 0.119,1190 0.097,1191 0.177,1192 0.109,1193 0.085,1194 4.643,1195 0.116,1196 3.78,1197 0.031,1198 6.896,1199 0.295,1200 4.268,1201 0.082,1202 3.297,1203 4.535,1204 1.2,1205 11.497,1206 3.204,1207 2.05,1208 2.029,1209 2.116,1210 2.139,1211 1.335,1212 2.134,1213 1.904,1214 1.872,1215 2.019,1216 2.017,1217 1.238,1218 2.017,1219 1.748,1220 1.675,1221 1.959,1222 1.962,1223 1.102,1224 1.967,1225 1.654,1226 1.625,1227 1.801,1228 1.818,1229 1.05,1230 1.808,1231 1.488,1232 1.431,1233 1.724,1234 1.662,1235 0.891,1236 1.685,1237 1.388,1238 1.328,1239 1.561,1240 1.601,1241 0.825,1242 1.59,1243 1.25,1244 1.182,1245 1.526,1246 1.489,1247 0.669,1248 1.491,1249 1.182,1250 1.085,1251 1.513,1252 1.445,1253 0.618,1254 1.457,1255 4.369,1257 5.727,1258 3.045,1259 7.286,1260 5.416,1261 8.933,1262 7.526,1263 10.628,1265 4.117,1271 5.504,1276 6.621,1280 39.638,1281 90.662,1282 219.273,1283 287.676,1284 324.896,1285 327.65,1286 327.65,1287 47.666,1288 8.967,1289 57.5,1290 57.5,1291 34,1292 13.063,1293 4.585,1294 3.7,1295 45.097,1296 147,1297 156,1298 0.149,1299 237.964,1300 403.65,1301 572.392,1302 113965,1304 23.233,1305 0.683,1306 0.577,1307 23.233,1308 19.608,1309 16.597,1310 0.426,1311 0.304,1312 11.713,1313 16.001,1314 11.396,1315 9.397,1316 16.597,1317 11.87,1318 15.197,1319 0.267,1320 0.162,1321 15.197,1322 9.225,1323 13.9,1324 0.17,1325 0.087,1326 13.9,1327 7.127,1328 12.067,1329 0.107,1330 0.045,1331 12.067,1332 5.121,1333 9.779,1334 0.067,1335 0.025,1336 9.779,1337 3.594,1338 0.233,1339 103.416,1340 0.193,1341 31.178,1342 0.412,1343 192,1344 479.606,1345 207.37,1346 471.637,1347 671.06,1348 446,1349 235,1350 520.718,1351 253.312,1352 528.477,1353 784.34,1354 499,1355 9.2} {0 CHEMBL199088,1 1.708,2 12.188,3 3.532,4 12.474,5 116.049,6 8.176,7 0.472,8 4.119,9 4.237,10 3.763,11 3.635,12 5.241,13 3.646,14 4.719,15 4.9,16 4.228,17 4.059,18 6.208,19 4.062,20 4.933,21 5.131,22 4.26,23 4.24,24 6.12,25 4.2,26 5.043,27 5.264,28 4.199,29 4.231,30 6.221,31 4.176,32 4.989,33 5.229,34 4.083,35 4.18,36 6.058,37 4.111,38 4.854,39 5.058,40 4.05,41 4.143,42 5.864,43 4.067,44 4.921,45 5.168,46 4.052,47 4.049,48 6.266,49 3.978,50 4.723,51 4.935,52 3.913,53 3.965,54 5.795,55 3.901,56 0.125,57 1.062,58 9.214,59 4.821,60 21.575,61 5.772,62 0.987,63 2.056,64 21.894,65 7.831,66 138.661,67 9.794,68 0.637,69 1.993,70 26.988,71 10.576,72 57.019,73 13.993,74 0.781,75 2.04,76 33.48,77 12.209,78 92.769,79 15.712,80 0.849,81 1.857,82 33.66,83 11.804,84 104.867,85 15.292,86 0.382,87 1.686,88 24.964,89 10.563,90 46.609,91 14.286,92 1.193,93 1.644,94 31.621,95 9.569,96 145.093,97 13.91,98 0.418,99 1.56,100 22.903,101 9.379,102 53.268,103 12.088,104 27,105 54,106 0.281,107 0.605,108 0.757,109 0.845,110 0.845,111 0.845,112 3.503,113 0.876,114 -4.62,115 -4.54,116 -4.27,119 42.6,121 1,124 1,125 5,131 1,140 5,141 4,142 1,143 2,144 1,145 1,156 1,169 8,171 2,172 10,178 8,181 1,182 9,189 6,192 2,193 9,199 5,202 3,203 6,211 5,215 8,222 6,225 2,226 7,233 4,236 1,237 4,244 2,248 2,249 4,256 1,259 1758,260 21.281,261 21.281,262 21.281,263 21.281,264 21.281,265 19.318,266 26.254,267 12.049,268 21.952,269 17.749,270 17.749,271 17.749,272 17.749,273 17.749,274 14.589,275 33.96,276 5.699,277 18.894,278 4.047,279 2.078,280 1.154,281 0.621,282 0.621,283 0.621,284 4.208,288 1,289 1,290 855,291 3.742,294 61.102,295 319.265,298 102.864,299 118.207,302 1.898,303 46.634,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 72,315 390,316 4.633,317 4.46,318 7.111,319 4.243,320 3.319,321 4.535,322 3.825,323 11.66,324 3.18,325 4.453,326 3.754,327 6.833,328 4.16,329 3.263,330 3.913,331 1.2,332 11.336,333 2.946,334 4.291,335 3.3,336 6.63,337 3.987,338 3.031,339 3.667,340 0.8,341 10.577,342 2.796,343 3.985,344 3.047,345 6.056,346 3.656,347 2.681,348 3.373,349 0.8,350 8.646,351 2.592,352 3.681,353 2.725,354 5.718,355 3.425,356 2.472,357 2.98,358 0.293,359 7.621,360 2.346,361 3.372,362 2.431,363 5.158,364 3.123,365 2.19,366 2.488,368 6.161,369 2.041,370 3.244,371 2.303,372 5.023,373 2.87,374 1.924,375 2.407,377 5.787,378 1.804,379 3.054,380 1.999,381 4.704,382 2.654,383 1.69,384 2.247,386 4.952,387 1.618,388 2.859,389 1.7,390 4.575,391 2.43,392 1.498,393 1.956,395 4.436,396 1.374,397 2.717,398 1.587,399 4.228,400 2.321,401 1.391,402 1.764,404 3.64,405 1.284,406 2.5,407 1.513,408 3.875,409 2.124,410 1.148,411 1.5,413 2.938,414 1.118,415 2.432,416 1.252,417 3.641,418 1.967,419 1,420 1.402,422 2.275,423 0.965,424 2.219,425 1.146,426 3.414,427 1.957,428 1,429 1.076,431 2.275,432 0.955,433 2,434 1,435 3.414,436 1.852,437 0.84,438 1,440 2.148,441 0.838,442 1.704,443 0.62,444 3.212,445 1.38,446 0.389,447 0.489,449 1.036,450 0.383,451 14.69,452 0.459,453 1.035,454 0.032,455 40.75,456 1.273,457 18.5,458 0.578,459 22.25,460 0.695,461 27.931,462 0.873,463 35.11,464 0.65,465 34.528,466 1.079,467 8.074,468 0.252,469 7.235,470 0.226,471 0.115,472 0.034,473 0.354,476 3,479 0.574,480 1.172,481 0.641,482 1.145,483 0.533,484 0.974,485 0.541,486 0.734,487 0.734,488 0.777,489 0.351,490 0.787,491 0.533,492 0.79,493 0.839,494 1.037,495 0.432,496 1.037,497 0.803,498 0.89,499 0.951,500 1.046,501 0.778,502 1.05,503 0.815,504 0.688,505 0.937,506 0.824,507 0.819,508 0.896,509 0.435,510 0.931,511 0.877,512 1.269,513 0.41,514 1.243,515 0.41,516 0.563,517 0.849,518 0.797,519 0.329,520 0.913,521 0.638,522 0.967,523 0.905,524 1.206,525 0.617,526 1.168,527 7.5,528 0.185,529 4.889,530 2.507,531 1.982,532 1.264,533 0.945,534 0.669,535 0.462,536 0.319,537 14199,538 44490,539 2.108,540 40.7,542 18,544 2,547 2,550 1.746,551 1.949,552 3.554,553 -0.712,555 1,559 92.25,560 1.708,561 3.677,562 4.6,563 5.134,564 5.134,565 5.134,566 3.052,567 4.453,568 4.968,569 3.728,570 1849.06,571 8.698,572 26292.5,574 1,576 1,577 310.764,578 1.617,579 4.916,580 0.208,581 0.007,582 0.091,583 0.045,584 0.039,585 0.027,586 0.021,587 0.016,588 0.012,589 0.009,590 0.475,591 0.5,592 0.88,593 0.731,594 167.027,595 -0.028,596 -0.203,597 0.055,598 -0.108,599 -0.053,600 -0.029,601 0.286,602 0.279,603 0.12,604 0.181,605 0.378,606 0.128,607 0.07,608 0.034,609 0.001,610 -0.063,611 0.1,612 -0.058,613 -0.045,614 -0.084,615 -0.024,616 -0.07,617 -0.01,618 -0.048,619 -0.064,620 0.111,621 0.015,622 0.152,623 -0.076,624 0.123,625 0.029,626 -0.21,627 -0.046,628 -0.268,629 0.006,630 -0.211,631 0.298,632 0.178,633 0.11,634 0.118,635 0.308,636 0.073,637 0.007,638 -0.159,639 -0.021,640 -0.202,641 0.012,642 -0.144,643 5.784,644 6.103,645 0.781,646 33.18,647 1.022,648 1.146,649 3.394,650 11.516,651 0.665,652 3.611,653 4.007,654 4.304,655 4.585,656 4.868,657 5.05,658 5.273,659 5.425,660 5.572,661 5.717,662 7.075,663 0.653,664 441.5,665 3.611,666 5.198,667 6.075,668 6.986,669 7.88,670 8.794,671 9.697,672 10.612,673 11.52,674 12.437,675 9.3,678 1,681 1,682 1,685 2,687 2,688 7,689 2,693 5,695 17,703 1,709 1,714 54,716 18,717 1,718 36,720 58,721 23,722 14,723 4,724 2,725 1,730 5,731 8,736 1,740 1,742 1,743 1,745 15,746 8,750 1,755 1,759 1,761 1,762 3,764 22,765 9,767 9,773 5,777 0.6,778 1,786 2,792 1,793 4,796 1,797 1,815 1,819 3,823 1,825 3,827 32,833 6,838 3,839 1,846 3,847 1.9,850 1,854 16.417,855 10.179,856 6.694,857 3.309,858 3.409,859 1.398,860 1.026,861 5.213,862 11.971,863 3.839,864 4.466,865 5.077,866 5.672,867 6.279,868 6.674,869 7.14,870 7.504,871 7.906,872 8.175,873 1,874 56,875 12.387,877 5.935,878 8.081,879 22.362,881 19.089,883 2.581,884 82.583,887 1,888 258.964,889 118.758,890 42.944,892 25.145,893 44.88,895 118.758,896 284.109,897 87.824,898 8.396,899 16.187,900 47.381,901 86.963,902 86.254,903 2.328,904 235.422,905 7.76,906 258.964,907 161.702,908 70.025,911 235.422,912 93.567,915 47.923,916 80.208,917 33.571,919 303.845,920 68.089,921 118.758,924 266.724,925 37.126,926 83.245,928 103.596,929 258.964,930 112.969,931 118.758,933 0.604,934 0.351,935 0.18,936 0.1,937 29,938 13,939 0.034,940 2,941 2,942 1.16,943 4.209,944 312.352,945 0.16,946 25,947 151.245,951 21.025,952 7.934,953 3.919,954 2.041,955 112.969,956 10.904,957 8.066,961 1.849,964 490.692,965 45.5,970 13.103,974 -0.352,975 55.21,976 61.872,977 0.297,978 0.639,979 0.799,980 0.892,981 0.892,982 0.892,983 5.131,984 1.69,985 6.116,986 5.787,987 4.691,988 5.153,989 3.244,990 7.004,991 4.578,992 6.362,993 1.498,994 7.732,995 4.952,996 4.511,997 5.094,998 3.926,999 8.177,1000 4.265,1001 7.699,1002 1.391,1003 9.455,1004 4.436,1005 6.405,1006 7.379,1007 5.44,1008 11.233,1009 6.169,1010 9.072,1011 1.148,1012 11.241,1013 3.64,1014 7.013,1015 8.117,1016 6.692,1017 13.186,1018 6.649,1019 10.477,1020 1,1021 13.066,1022 2.938,1023 8.437,1024 9.933,1025 8.059,1026 15.817,1027 8.061,1028 11.904,1029 1,1030 14.918,1031 2.275,1032 9.373,1033 11.043,1034 9.389,1035 18.059,1036 8.89,1037 13.348,1038 0.84,1039 16.789,1040 2.275,1041 10.631,1042 12.667,1043 10.734,1044 20.556,1045 10.113,1046 3.319,1047 0.389,1048 18.674,1049 2.148,1050 11.705,1051 13.963,1052 12.074,1053 22.911,1054 11.1,1055 3.263,1056 11.66,1057 20.569,1058 1.036,1059 12.906,1060 15.507,1061 13.417,1062 25.363,1063 12.253,1064 3.031,1065 11.336,1066 22.472,1067 4.535,1068 14.038,1069 16.899,1070 14.758,1071 27.762,1072 13.312,1073 2.681,1074 10.577,1075 24.382,1076 3.913,1077 15.221,1078 18.41,1079 16.1,1080 30.201,1081 14.441,1082 2.472,1083 8.646,1084 26.298,1085 3.667,1086 16.379,1087 19.853,1088 17.441,1089 32.62,1090 15.535,1091 2.19,1092 7.621,1093 28.217,1094 3.373,1095 17.558,1096 21.352,1097 18.783,1098 35.055,1099 16.658,1100 1.924,1101 6.161,1102 30.14,1103 2.98,1104 18.729,1105 22.823,1106 20.124,1107 37.483,1108 17.77,1109 13345,1110 23986,1111 23.868,1112 35.91,1113 56.374,1114 56.485,1115 57.188,1116 55.965,1117 55.673,1118 69.593,1119 13.836,1120 170.975,1121 52.48,1122 5.633,1123 6.46,1124 6.63,1125 5.311,1126 5.319,1127 7.535,1128 5.335,1129 19.088,1130 5.18,1131 17.124,1132 1.566,1133 1.569,1134 1.589,1135 1.555,1136 1.546,1137 1.933,1138 0.384,1139 4.749,1140 1.458,1141 4.136,1142 4.166,1143 4.099,1144 4.061,1145 8.513,1146 4.066,1147 3.919,1148 3.953,1149 3.891,1150 3.799,1151 7.999,1152 3.814,1153 3.814,1154 3.885,1155 3.715,1156 3.624,1157 7.999,1158 3.636,1159 3.655,1160 3.711,1161 3.579,1162 3.497,1163 7.428,1164 3.505,1165 3.381,1166 3.412,1167 3.383,1168 3.129,1169 4.966,1170 3.179,1171 3.211,1172 3.308,1173 3.083,1174 3.022,1175 4.806,1176 3.016,1177 3.118,1178 3.206,1179 3.011,1180 2.947,1181 4.487,1182 2.949,1183 3.111,1184 3.183,1185 2.925,1186 2.941,1187 4.347,1188 2.91,1189 0.129,1190 0.124,1191 0.198,1192 0.118,1193 0.092,1194 4.633,1195 0.126,1196 4.46,1197 0.106,1198 7.111,1199 0.324,1200 4.243,1201 0.088,1202 3.319,1203 4.535,1204 3.825,1205 11.66,1206 3.18,1207 2.051,1208 2.029,1209 2.116,1210 2.14,1211 1.335,1212 2.134,1213 1.857,1214 1.829,1215 1.959,1216 2.002,1217 1.238,1218 1.983,1219 1.747,1220 1.674,1221 1.937,1222 1.958,1223 1.066,1224 1.962,1225 1.505,1226 1.444,1227 1.741,1228 1.716,1229 0.969,1230 1.72,1231 1.417,1232 1.376,1233 1.555,1234 1.605,1235 0.825,1236 1.587,1237 1.183,1238 1.109,1239 1.515,1240 1.456,1241 0.668,1242 1.483,1243 1.153,1244 1.081,1245 1.513,1246 1.417,1247 0.613,1248 1.429,1249 1.133,1250 1.064,1251 1.221,1252 1.376,1253 0.335,1254 1.344,1255 4.29,1257 5.666,1258 2.398,1259 7.235,1260 4.727,1261 8.886,1262 6.843,1263 10.582,1265 2.098,1267 38.428,1271 4.822,1276 6.16,1277 -4.534,1280 35.24,1281 92.25,1282 198.535,1283 248.425,1284 277.254,1285 277.254,1286 277.254,1287 62.637,1288 8.562,1289 52.57,1290 52.57,1291 29,1292 12.949,1293 4.248,1294 3.392,1295 45.71,1296 134,1297 140,1298 0.166,1299 209.643,1300 370.2,1301 503.289,1302 67614,1303 5.6,1304 22.457,1305 0.702,1306 0.549,1307 19.957,1308 17.562,1309 15.309,1310 0.425,1311 0.292,1312 10.301,1313 14.514,1314 10.125,1315 8.262,1316 14.097,1317 10.513,1318 15.012,1319 0.278,1320 0.153,1321 13.054,1322 8.264,1323 12.525,1324 0.172,1325 0.085,1326 11.589,1327 6.187,1328 10.413,1329 0.107,1330 0.045,1331 9.714,1332 4.371,1333 8.625,1334 0.067,1335 0.025,1336 8.339,1337 3.167,1338 0.26,1339 97.397,1340 0.205,1341 29.678,1342 0.459,1343 180,1344 684.294,1345 209.639,1346 580.179,1347 770.93,1348 540,1349 217,1350 551.665,1351 242.804,1352 540.065,1353 819.21,1354 507,1355 9.3} {0 CHEMBL199144,1 1.464,2 13.816,3 4.449,4 19.79,5 149.713,6 7.329,7 0.512,8 4.334,9 4.463,10 3.905,11 3.897,12 5.403,13 3.871,14 4.901,15 5.089,16 4.301,17 4.323,18 5.875,19 4.281,20 5.181,21 5.399,22 4.406,23 4.498,24 6.155,25 4.432,26 5.286,27 5.517,28 4.427,29 4.545,30 6.313,31 4.469,32 5.271,33 5.485,34 4.375,35 4.568,36 6.266,37 4.471,38 5.327,39 5.57,40 4.361,41 4.554,42 6.26,43 4.451,44 5.277,45 5.52,46 4.279,47 4.5,48 6.255,49 4.39,50 5.211,51 5.456,52 4.17,53 4.431,54 6.128,55 4.305,56 0.059,57 1.078,58 14.174,59 6.028,60 13.365,61 8.236,62 0.243,63 1.801,64 27.566,65 10.116,66 22.448,67 14.428,68 0.326,69 2.268,70 38.28,71 13.296,72 37.396,73 19.156,74 0.584,75 2.425,76 43.996,77 14.72,78 70.008,79 21.073,80 0.402,81 2.382,82 42.097,83 15.915,84 60.039,85 22.175,86 0.398,87 2.452,88 46.238,89 16.6,90 62.036,91 23.799,92 0.512,93 2.333,94 43.994,95 15.441,96 67.23,97 22.249,98 0.304,99 2.135,100 41.105,101 15.639,102 48.437,103 22.269,104 30,105 63,106 0.227,107 0.587,108 0.753,109 0.833,110 0.833,111 0.833,112 3.668,113 0.927,114 -4.81,115 -4.72,116 -4.43,119 43.5,120 3,121 2,125 3,127 2,140 7,141 5,142 2,143 2,145 1,150 1,156 2,164 1,169 11,171 2,172 14,176 2,178 12,182 16,184 1,189 9,192 4,193 15,199 10,202 2,203 10,206 1,208 1,211 10,214 1,215 13,220 2,222 12,225 3,226 11,231 2,233 11,237 8,240 1,242 1,244 11,248 4,249 5,254 1,256 14,259 2756,260 26.066,261 26.066,262 26.066,263 26.066,264 26.066,265 23.414,266 36.225,267 14.884,268 26.473,269 21.095,270 21.095,271 21.095,272 21.095,273 21.095,274 16.752,275 46.384,276 6.872,277 21.783,278 4.644,279 2.318,280 1.242,281 0.728,282 0.728,283 0.728,284 4.382,289 1,290 1167,291 3.464,294 168.761,295 392.808,298 124.472,299 144.362,302 2.194,303 31.522,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 80.5,315 525,316 4.647,317 4.057,318 6.92,319 4.276,320 3.304,321 4.535,322 2.035,323 11.609,324 3.21,325 4.55,326 3.783,327 6.748,328 4.141,329 3.173,330 4.262,331 1.2,332 11.055,333 3.08,334 4.235,335 3.333,336 6.557,337 3.926,338 2.978,339 3.713,340 0.8,341 10.338,342 2.825,343 4.061,344 3.214,345 6.048,346 3.671,347 2.698,348 3.59,349 0.4,350 8.621,351 2.627,352 3.847,353 3.028,354 5.808,355 3.558,356 2.578,357 3.142,358 0.293,359 7.985,360 2.514,361 3.721,362 2.741,363 5.446,364 3.344,365 2.36,366 2.974,368 6.946,369 2.319,370 3.46,371 2.539,372 5.281,373 3.125,374 2.164,375 2.613,377 6.596,378 2.074,379 3.329,380 2.34,381 5.207,382 2.913,383 1.932,384 2.506,386 6.099,387 1.889,388 3.045,389 2.206,390 4.796,391 2.856,392 1.879,393 2.251,395 4.963,396 1.833,397 2.982,398 1.982,399 4.618,400 2.644,401 1.661,402 1.888,404 4.958,405 1.628,406 2.879,407 1.978,408 4.541,409 2.395,410 1.437,411 1.879,413 4.067,414 1.373,415 2.781,416 1.585,417 4.188,418 2.272,419 1.323,420 1.72,422 3.509,423 1.254,424 2.661,425 1.506,426 4,427 2.213,428 1.25,429 1.634,431 3.122,432 1.199,433 2.549,434 1.458,435 3.859,436 2.096,437 1.123,438 1.5,440 2.916,441 1.091,442 2.5,443 1.247,444 3.608,445 2,446 1,447 1.328,449 2.275,450 1,451 18.133,452 0.477,453 0.969,454 0.025,455 50.75,456 1.336,457 25.5,458 0.671,459 25.25,460 0.664,461 37.65,462 0.991,463 39.467,464 0.572,465 41.339,466 1.088,467 9.372,468 0.247,469 9.089,470 0.239,471 0.123,473 0.397,479 0.725,480 1.32,481 0.779,482 1.074,483 0.512,484 0.954,485 0.877,486 1.147,487 0.817,488 0.926,489 0.483,490 0.867,491 1.105,492 1.084,493 0.948,494 0.961,495 0.667,496 0.932,497 1.285,498 0.914,499 1.011,500 0.889,501 1.169,502 0.911,503 1.134,504 1.063,505 1.095,506 1.122,507 1.204,508 1.116,509 1.076,510 1.043,511 0.972,512 1.013,513 0.921,514 0.99,515 1.067,516 0.965,517 1.064,518 1.014,519 0.836,520 1.033,521 0.904,522 1.073,523 0.996,524 1.124,525 0.963,526 1.087,527 7.5,528 0.259,529 4.889,530 3.167,531 2.753,532 1.549,533 1.118,534 0.774,535 0.579,536 0.382,537 22903,538 53707,539 2.143,540 44.9,541 3,542 15,544 2,545 1,546 2,547 8,550 1.789,551 2,552 3.731,553 -0.4,559 101.05,560 1.464,561 3.791,562 4.867,563 5.38,564 5.38,565 5.38,566 3.231,567 4.86,568 5.217,569 3.891,570 2735.16,571 9.202,572 43976.1,577 421.488,578 1.425,579 5.178,580 0.174,581 0.006,582 0.078,583 0.047,584 0.04,585 0.024,586 0.018,587 0.014,588 0.011,589 0.008,590 0.42,591 0.17,592 0.75,593 0.747,594 209.247,595 0.059,596 -0.15,597 0.076,598 -0.05,599 0.027,600 0.001,601 0.058,602 -0.035,603 0.108,604 0.056,605 0.055,606 0.084,607 -0.076,608 -0.021,609 0.014,610 0.007,611 0.036,612 0.023,613 -0.028,614 0.12,615 -0.017,616 0.069,617 -0.012,618 0.037,619 -0.062,620 -0.055,621 -0.135,622 -0.12,623 -0.111,624 -0.136,625 -0.043,626 -0.073,627 0.017,628 -0.02,629 -0.021,631 -0.004,632 0.025,633 -0.075,634 -0.034,635 0.065,636 -0.056,637 0.011,638 -0.135,639 -0.017,640 -0.106,641 -0.006,642 -0.073,643 1.699,644 6.938,645 0.789,646 43.95,647 0.995,648 1.126,649 3.576,650 12.787,651 0.676,652 3.784,653 4.159,654 4.511,655 4.844,656 5.094,657 5.278,658 5.485,659 5.684,660 5.852,661 5.986,662 7.883,663 0.64,664 505.68,665 3.784,666 5.361,667 6.252,668 7.165,669 8.071,670 8.989,671 9.902,672 10.824,673 11.741,674 12.664,675 10.1,677 1,681 1,682 1,683 1,684 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,697 1,703 1,709 1,714 69,716 24,717 2,718 43,720 74,721 30,722 18,723 6,724 6,725 1,730 6,731 9,736 3,740 3,743 4,744 1,745 19,746 10,750 1,755 1,759 1,764 31,765 7,766 1,767 8,773 7,777 0.667,778 1,784 1,786 1,792 2,793 4,796 1,797 1,814 1,819 4,823 3,827 38,833 5,834 1,837 2,838 2,840 1,843 1,845 1,847 1.4,850 1,854 19,855 13.533,856 8.278,857 4.573,858 4.492,859 1.485,860 1.011,861 6.394,862 13.762,863 4.06,864 4.675,865 5.336,866 5.958,867 6.511,868 6.934,869 7.407,870 7.83,871 8.243,872 8.539,873 1,874 68,875 14.094,877 6.138,878 7.627,879 27.373,881 23.404,883 2.127,884 80.833,888 353.133,889 168.898,890 90.544,892 25.145,895 168.898,896 378.278,897 90.544,898 26.476,899 14.51,900 84.344,901 103.442,902 74.271,903 5.085,904 329.591,906 353.133,907 259.441,908 25.145,911 258.964,912 119.314,915 109.928,916 116.065,917 33.449,919 353.133,920 115.689,921 168.898,924 353.133,925 41.392,926 118.929,927 34.612,928 89.653,929 353.133,930 115.689,931 168.898,933 0.589,934 0.363,935 0.207,936 0.11,937 33,938 15,939 0.054,940 4,941 2,942 1.133,943 4.667,944 403.373,945 0.133,946 30,947 189.421,951 24.613,952 9.871,953 4.38,954 2.237,955 113.912,956 17.279,957 9.355,961 6.023,962 1.806,963 18.011,964 637.719,965 57,970 13.938,974 -0.033,975 68.643,976 77.68,977 0.24,978 0.621,979 0.797,980 0.881,981 0.881,982 0.881,983 5.34,984 1.932,985 6.26,986 6.596,987 4.844,988 5.364,989 2.598,990 7.136,991 4.782,992 6.563,993 1.879,994 7.858,995 6.099,996 4.511,997 5.223,998 0.57,999 8.146,1000 4.418,1001 7.888,1002 1.661,1003 9.555,1004 4.963,1005 6.503,1006 7.599,1007 3.672,1008 11.29,1009 6.375,1010 9.249,1011 1.437,1012 11.31,1013 4.958,1014 6.995,1015 8.318,1016 0.801,1017 13.125,1018 6.835,1019 10.643,1020 1.323,1021 13.101,1022 4.067,1023 8.458,1024 10.159,1025 4.996,1026 15.793,1027 8.265,1028 12.061,1029 1.25,1030 14.919,1031 3.509,1032 9.319,1033 11.275,1034 1.074,1035 17.965,1036 9.093,1037 13.498,1038 1.123,1039 16.756,1040 3.122,1041 10.584,1042 12.904,1043 6.389,1044 20.473,1045 10.327,1046 3.304,1047 1,1048 18.608,1049 2.916,1050 11.612,1051 14.21,1052 1.404,1053 22.786,1054 11.322,1055 3.173,1056 11.609,1057 20.471,1058 2.275,1059 12.805,1060 15.752,1061 7.801,1062 25.237,1063 12.485,1064 2.978,1065 11.055,1066 22.343,1067 4.535,1068 13.908,1069 17.15,1070 1.768,1071 27.611,1072 13.556,1073 2.698,1074 10.338,1075 24.223,1076 4.262,1077 15.078,1078 18.657,1079 9.219,1080 30.044,1081 14.696,1082 2.578,1083 8.621,1084 26.108,1085 3.713,1086 16.214,1087 20.102,1088 2.15,1089 32.446,1090 15.803,1091 2.36,1092 7.985,1093 27.999,1094 3.59,1095 17.379,1096 21.597,1097 10.638,1098 34.873,1099 16.939,1100 2.164,1101 6.946,1102 29.894,1103 3.142,1104 18.533,1105 23.065,1106 2.538,1107 37.289,1108 18.063,1109 21209,1110 32689,1111 28.956,1112 46.631,1113 67.659,1114 69.838,1115 68.882,1116 65.646,1117 65.591,1118 84.671,1119 9.455,1120 198.526,1121 63.613,1122 5.647,1123 6.057,1124 6.471,1125 5.343,1126 5.304,1127 7.535,1128 4.069,1129 19.344,1130 5.21,1131 18.995,1132 1.573,1133 1.624,1134 1.602,1135 1.527,1136 1.525,1137 1.969,1138 0.22,1139 4.617,1140 1.479,1141 4.148,1142 4.181,1143 4.112,1144 4.066,1145 7.428,1146 4.073,1147 4.029,1148 4.069,1149 3.996,1150 3.917,1151 6.82,1152 3.929,1153 3.853,1154 3.917,1155 3.777,1156 3.715,1157 4.978,1158 3.726,1159 3.793,1160 3.829,1161 3.717,1162 3.662,1163 4.931,1164 3.668,1165 3.649,1166 3.706,1167 3.568,1168 3.505,1169 4.58,1170 3.511,1171 3.367,1172 3.452,1173 3.193,1174 3.217,1175 4.496,1176 3.19,1177 3.344,1178 3.431,1179 3.151,1180 3.163,1181 4.418,1182 3.148,1183 3.218,1184 3.268,1185 3.146,1186 3.041,1187 3.999,1188 3.071,1189 0.108,1190 0.094,1191 0.161,1192 0.099,1193 0.077,1194 4.647,1195 0.105,1196 4.057,1197 0.047,1198 6.92,1199 0.27,1200 4.276,1201 0.075,1202 3.304,1203 4.535,1204 2.035,1205 11.609,1206 3.21,1207 2.051,1208 2.03,1209 2.118,1210 2.141,1211 1.347,1212 2.136,1213 1.922,1214 1.894,1215 2.015,1216 2.027,1217 1.252,1218 2.023,1219 1.79,1220 1.724,1221 1.992,1222 1.981,1223 1.158,1224 1.989,1225 1.693,1226 1.66,1227 1.874,1228 1.841,1229 1.054,1230 1.846,1231 1.508,1232 1.445,1233 1.753,1234 1.718,1235 1.022,1236 1.732,1237 1.443,1238 1.393,1239 1.733,1240 1.619,1241 0.97,1242 1.655,1243 1.405,1244 1.325,1245 1.583,1246 1.606,1247 0.694,1248 1.616,1249 1.275,1250 1.218,1251 1.45,1252 1.506,1253 0.595,1254 1.476,1255 4.466,1257 5.826,1258 3.045,1259 7.385,1260 5.416,1261 9.034,1262 7.535,1263 10.733,1265 6.442,1271 3.907,1272 3.595,1275 0.756,1276 4.256,1278 9.127,1279 2.145,1280 44.186,1281 101.05,1282 261.559,1283 335.798,1284 371.224,1285 371.224,1286 371.224,1287 63.784,1288 9.269,1289 90.08,1290 90.08,1291 34,1292 13.172,1293 4.644,1294 3.907,1295 53.048,1296 179,1297 218,1298 0.144,1299 267.68,1300 461.27,1301 644.9,1302 164057,1304 26.388,1305 0.694,1306 0.578,1307 26.388,1308 21.978,1309 18.461,1310 0.429,1311 0.309,1312 13.136,1313 17.872,1314 12.754,1315 10.572,1316 18.461,1317 13.284,1318 16.858,1319 0.268,1320 0.164,1321 16.858,1322 10.346,1323 15.094,1324 0.168,1325 0.085,1326 15.094,1327 7.616,1328 13.514,1329 0.107,1330 0.047,1331 13.514,1332 5.946,1333 10.721,1334 0.066,1335 0.024,1336 10.721,1337 3.919,1338 0.226,1339 114.664,1340 0.186,1341 34.128,1342 0.396,1343 212,1344 535.939,1345 228.369,1346 531.873,1347 750.41,1348 500,1349 259,1350 579.056,1351 277.978,1352 588.147,1353 870.02,1354 556,1355 8.1} {0 CHEMBL199175,1 1.73,2 11,3 3.795,4 14.4,5 115.81,6 8.082,7 0.444,8 4.139,9 4.252,10 3.773,11 3.636,12 5.248,13 3.65,14 4.749,15 4.927,16 4.253,17 4.061,18 6.221,19 4.072,20 4.947,21 5.129,22 4.273,23 4.234,24 6.13,25 4.201,26 5.065,27 5.275,28 4.301,29 4.258,30 6.248,31 4.22,32 5.046,33 5.267,34 4.28,35 4.215,36 6.439,37 4.172,38 5.002,39 5.2,40 4.17,41 4.191,42 6.162,43 4.151,44 4.995,45 5.227,46 4.117,47 4.097,48 6.183,49 4.06,50 4.867,51 5.09,52 3.931,53 3.993,54 6.041,55 3.933,56 0.145,57 1.045,58 9.777,59 5.095,60 21.734,61 6.034,62 1.026,63 2.033,64 23.347,65 8.32,66 141.282,67 10.375,68 0.951,69 1.868,70 28.303,71 10.872,72 73.123,73 13.902,74 0.788,75 2.159,76 33.659,77 12.581,78 86.223,79 16.317,80 1.31,81 2.052,82 35.244,83 12.149,84 173.394,85 15.776,86 0.874,87 2.078,88 32.007,89 12.018,90 115.409,91 14.166,92 0.966,93 2.048,94 33.92,95 11.073,96 98.758,97 13.711,98 0.799,99 1.779,100 29.492,101 10.779,102 98.737,103 12.839,104 38,105 55,106 0.284,107 0.606,108 0.766,109 0.835,110 0.835,111 0.835,112 3.503,113 0.881,114 -4.7,115 -4.62,116 -4.34,119 41.8,120 1,121 1,124 1,125 5,131 1,140 4,141 4,142 1,143 1,145 1,150 2,156 1,169 7,171 2,172 11,178 8,181 1,182 8,189 7,192 2,193 7,199 5,202 3,203 8,211 5,215 8,222 3,225 2,226 7,233 5,236 1,237 4,244 3,248 2,249 2,256 1,259 1660,260 21.074,261 21.074,262 21.074,263 21.074,264 21.074,265 19.188,266 28.679,267 11.878,268 21.691,269 17.77,270 17.77,271 17.77,272 17.77,273 17.77,274 14.665,275 37.626,276 5.654,277 18.818,278 4.052,279 2.092,280 1.118,281 0.696,282 0.696,283 0.696,284 4.204,288 1,289 1,290 770,291 3.808,294 137.308,295 217.007,298 97.722,299 113.238,302 1.688,303 51.882,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 72.5,315 352,316 4.67,317 4.474,318 7.304,319 4.358,320 3.438,321 4.535,322 3.825,323 12.544,324 3.239,325 4.595,326 3.753,327 6.818,328 4.199,329 3.242,330 4.204,331 1.2,332 11.268,333 3.109,334 4.225,335 3.302,336 6.619,337 3.936,338 3,339 3.646,340 0.8,341 10.506,342 2.802,343 3.895,344 3.057,345 6.09,346 3.599,347 2.664,348 3.107,349 0.8,350 8.707,351 2.449,352 3.707,353 2.741,354 5.74,355 3.437,356 2.495,357 2.987,358 0.293,359 7.714,360 2.31,361 3.521,362 2.664,363 5.343,364 3.214,365 2.251,366 2.789,368 6.55,369 2.17,370 3.338,371 2.417,372 5.048,373 3.064,374 2.098,375 2.45,377 6.022,378 2.005,379 3.058,380 2.008,381 4.858,382 2.71,383 1.736,384 2.247,386 5.26,387 1.683,388 2.888,389 1.856,390 4.645,391 2.499,392 1.537,393 1.989,395 4.545,396 1.467,397 2.733,398 1.588,399 4.316,400 2.334,401 1.401,402 1.779,404 3.65,405 1.301,406 2.455,407 1.513,408 4.154,409 2.129,410 1.153,411 1.429,413 3.205,414 1.121,415 2.34,416 1.252,417 3.855,418 2.012,419 1.047,420 1.298,422 2.878,423 0.991,424 2.143,425 1.146,426 3.542,427 1.967,428 1,429 1,431 2.275,432 0.965,433 2,434 1.068,435 3.414,436 1.697,437 0.689,438 0.937,440 1.831,441 0.689,442 1.701,443 0.618,444 3.203,445 1.359,446 0.356,447 0.46,449 0.949,450 0.354,451 14.624,452 0.457,453 1.125,454 0.035,455 38.75,456 1.211,457 16.5,458 0.516,459 22.25,460 0.695,461 30.611,462 0.957,463 35.776,464 0.65,465 33.755,466 1.055,467 7.708,468 0.241,469 7.511,470 0.235,471 0.15,472 0.034,473 0.39,476 3,479 0.606,480 1.172,481 0.65,482 1.184,483 0.54,484 0.997,485 0.57,486 0.716,487 0.686,488 0.787,489 0.345,490 0.758,491 0.578,492 0.802,493 0.866,494 0.989,495 0.464,496 1.015,497 0.688,498 1.015,499 0.821,500 1.108,501 0.744,502 1.038,503 0.644,504 0.729,505 0.824,506 0.87,507 0.698,508 0.903,509 1.122,510 1.124,511 1.135,512 1.152,513 1.139,514 1.153,515 1.069,516 1.036,517 1.053,518 0.965,519 0.962,520 0.981,521 1.115,522 1.096,523 1.144,524 1.144,525 1.13,526 1.153,527 8,528 0.287,529 4.667,530 2.882,531 2.78,532 1.174,533 1.019,534 0.784,535 0.413,536 0.42,537 13294,538 40261,539 2.089,540 41.8,542 17,544 1,546 3,547 2,550 1.749,551 1.91,552 3.419,553 -0.712,555 1,559 95.136,560 1.73,561 3.69,562 4.663,563 5.086,564 5.086,565 5.086,566 2.891,567 4.539,568 4.973,569 3.589,570 1779.93,571 8.72,572 24817.7,574 1,576 1,577 317.975,578 1.668,579 4.905,580 0.222,581 0.01,582 0.085,583 0.051,584 0.05,585 0.022,586 0.021,587 0.017,588 0.011,589 0.013,590 0.502,591 0.5,592 0.88,593 0.765,594 165.188,595 -0.031,596 -0.196,597 0.058,598 -0.118,599 -0.057,600 -0.029,601 0.265,602 0.292,603 0.181,604 0.185,605 0.383,606 0.173,607 0.116,608 0.026,609 -0.018,610 -0.004,611 0.085,612 -0.041,613 0.034,614 -0.188,615 0.082,616 -0.123,617 0.015,618 -0.035,619 0.211,620 0.165,621 0.126,622 0.104,623 0.213,624 0.087,625 -0.172,626 -0.119,627 -0.204,628 -0.137,629 -0.165,630 -0.171,631 -0.114,632 -0.058,633 -0.07,634 -0.009,635 -0.052,636 -0.013,637 -0.136,638 -0.071,639 -0.168,640 -0.133,641 -0.103,642 -0.152,643 5.982,644 6.184,645 0.75,646 29.367,647 1.024,648 1.145,649 3.469,650 12.035,651 0.657,652 3.611,653 4.025,654 4.331,655 4.663,656 4.934,657 5.069,658 5.257,659 5.472,660 5.62,661 5.775,662 6.574,663 0.645,664 444.5,665 3.611,666 5.209,667 6.094,668 7.02,669 7.926,670 8.854,671 9.769,672 10.696,673 11.616,674 12.544,675 7.3,678 1,681 1,682 1,685 1,687 2,688 5,689 1,691 1,693 6,695 16,703 1,709 1,714 55,716 17,717 1,718 36,720 59,721 23,722 13,723 4,724 2,725 1,730 5,731 8,736 2,740 1,742 1,743 1,745 14,746 9,750 1,755 1,759 1,761 1,762 3,763 1,764 23,765 9,767 9,773 4,777 0.6,778 2,786 1,792 2,793 3,796 1,797 1,815 1,819 3,823 2,825 3,827 32,833 6,838 3,839 1,846 3,847 3.6,850 1,852 1,854 16.75,855 10.729,856 6.639,857 3.393,858 3.268,859 1.382,860 1.02,861 5.183,862 11.829,863 3.829,864 4.474,865 5.093,866 5.723,867 6.269,868 6.64,869 7.066,870 7.526,871 7.918,872 8.207,873 1,874 56,875 12.583,877 6.186,878 8.086,879 22.386,881 19.162,883 2.586,884 82.75,887 1,888 270.735,889 117.201,890 26.158,892 34.652,893 44.88,895 117.201,896 305.388,897 71.039,898 17.222,899 16.187,900 37.905,901 58.406,902 83.958,903 13.226,904 258.964,905 7.76,906 270.735,907 143.359,908 79.533,911 247.193,912 103.075,915 44.944,916 81.63,917 16.786,919 315.616,920 60.811,921 117.201,924 278.495,925 45.267,926 73.547,928 96.318,929 270.735,930 105.691,931 117.201,933 0.607,934 0.352,935 0.194,936 0.113,937 30,938 14,939 0.034,940 2,941 2,942 1.167,943 4.108,944 320.171,945 0.167,946 24,947 151.245,951 21.296,952 7.788,953 3.794,954 1.909,955 105.691,956 8.799,957 4.599,959 4.832,961 0.781,964 493.627,965 45,970 13.184,974 -0.697,975 56.32,976 62.998,977 0.299,978 0.638,979 0.807,980 0.88,981 0.88,982 0.88,983 5.136,984 1.736,985 6.146,986 6.022,987 4.71,988 5.162,989 3.244,990 7.057,991 4.608,992 6.378,993 1.537,994 7.774,995 5.26,996 4.575,997 5.173,998 3.926,999 8.25,1000 4.353,1001 7.727,1002 1.401,1003 9.508,1004 4.545,1005 6.441,1006 7.41,1007 5.44,1008 11.342,1009 6.231,1010 9.11,1011 1.153,1012 11.303,1013 3.65,1014 7.083,1015 8.22,1016 6.692,1017 13.323,1018 6.763,1019 10.525,1020 1.047,1021 13.137,1022 3.205,1023 8.496,1024 9.996,1025 8.059,1026 15.998,1027 8.166,1028 11.963,1029 1,1030 15,1031 2.878,1032 9.459,1033 11.166,1034 9.389,1035 18.281,1036 9.043,1037 13.419,1038 0.689,1039 16.882,1040 2.275,1041 10.721,1042 12.766,1043 10.734,1044 20.829,1045 10.275,1046 3.438,1047 0.356,1048 18.78,1049 1.831,1050 11.82,1051 14.105,1052 12.074,1053 23.234,1054 11.305,1055 3.242,1056 12.544,1057 20.689,1058 0.949,1059 13.034,1060 15.635,1061 13.417,1062 25.743,1063 12.476,1064 3,1065 11.268,1066 22.609,1067 4.535,1068 14.192,1069 17.054,1070 14.758,1071 28.201,1072 13.573,1073 2.664,1074 10.506,1075 24.536,1076 4.204,1077 15.394,1078 18.558,1079 16.1,1080 30.7,1081 14.726,1082 2.495,1083 8.707,1084 26.47,1085 3.646,1086 16.578,1087 20.014,1088 17.441,1089 33.183,1090 15.854,1091 2.251,1092 7.714,1093 28.409,1094 3.107,1095 17.78,1096 21.509,1097 18.783,1098 35.684,1099 17.004,1100 2.098,1101 6.55,1102 30.354,1103 2.987,1104 18.978,1105 22.985,1106 20.124,1107 38.18,1108 18.146,1109 12547,1110 22175,1111 23.581,1112 36.12,1113 57.036,1114 57.085,1115 58.236,1116 56.528,1117 56.216,1118 69.714,1119 13.836,1120 175.806,1121 53.311,1122 5.67,1123 6.474,1124 6.823,1125 5.426,1126 5.438,1127 7.535,1128 5.335,1129 20.484,1130 5.239,1131 18.255,1132 1.584,1133 1.586,1134 1.618,1135 1.57,1136 1.562,1137 1.936,1138 0.384,1139 4.884,1140 1.481,1141 4.139,1142 4.168,1143 4.104,1144 4.062,1145 8.513,1146 4.068,1147 3.966,1148 3.972,1149 3.948,1150 3.814,1151 7.999,1152 3.843,1153 3.814,1154 3.885,1155 3.713,1156 3.622,1157 7.999,1158 3.635,1159 3.65,1160 3.705,1161 3.565,1162 3.493,1163 7.428,1164 3.5,1165 3.318,1166 3.375,1167 3.318,1168 3.057,1169 4.99,1170 3.074,1171 3.237,1172 3.318,1173 3.155,1174 3.022,1175 4.954,1176 3.024,1177 3.171,1178 3.22,1179 3.04,1180 2.961,1181 4.488,1182 2.989,1183 3.111,1184 3.206,1185 2.951,1186 2.941,1187 4.347,1188 2.91,1189 0.13,1190 0.124,1191 0.203,1192 0.121,1193 0.096,1194 4.67,1195 0.126,1196 4.474,1197 0.106,1198 7.304,1199 0.348,1200 4.358,1201 0.09,1202 3.438,1203 4.535,1204 3.825,1205 12.544,1206 3.239,1207 2.05,1208 2.029,1209 2.116,1210 2.139,1211 1.335,1212 2.133,1213 1.748,1214 1.676,1215 1.959,1216 1.962,1217 1.238,1218 1.967,1219 1.658,1220 1.635,1221 1.794,1222 1.831,1223 1.055,1224 1.804,1225 1.5,1226 1.468,1227 1.738,1228 1.749,1229 0.875,1230 1.724,1231 1.474,1232 1.429,1233 1.604,1234 1.654,1235 0.825,1236 1.658,1237 1.344,1238 1.299,1239 1.539,1240 1.563,1241 0.705,1242 1.536,1243 1.182,1244 1.086,1245 1.513,1246 1.45,1247 0.646,1248 1.477,1249 1.153,1250 1.064,1251 1.462,1252 1.376,1253 0.572,1254 1.429,1255 4.29,1257 5.68,1258 3.045,1259 7.252,1260 5.416,1261 8.909,1262 7.535,1263 10.613,1265 3.489,1267 40.253,1271 4.434,1276 5.9,1277 -4.732,1280 35.46,1281 95.136,1282 202.942,1283 256.491,1284 279.71,1285 279.71,1286 279.71,1287 67.918,1288 8.562,1289 52.82,1290 52.82,1291 28,1292 13.049,1293 4.17,1294 3.322,1295 45.543,1296 126,1297 140,1298 0.178,1299 209.772,1300 370.63,1301 503.605,1302 66338,1303 5.5,1304 22.621,1305 0.707,1306 0.558,1307 20.121,1308 17.869,1309 15.219,1310 0.423,1311 0.294,1312 10.344,1313 14.367,1314 10.124,1315 8.266,1316 14.008,1317 10.568,1318 15.247,1319 0.277,1320 0.153,1321 13.252,1322 8.431,1323 12.421,1324 0.166,1325 0.083,1326 11.64,1327 6.229,1328 10.781,1329 0.103,1330 0.043,1331 10.206,1332 4.556,1333 9.266,1334 0.067,1335 0.024,1336 8.239,1337 3.266,1338 0.275,1339 97.223,1340 0.206,1341 29.292,1342 0.505,1343 182,1344 702.385,1345 214.126,1346 590.682,1347 786.62,1348 550,1349 221,1350 568.472,1351 249.58,1352 552.86,1353 841.9,1354 519,1355 8.1} {0 CHEMBL2,1 1.685,2 11.607,3 2.108,4 4.442,5 104,6 7.826,7 0.516,8 4.028,9 4.139,10 3.636,11 3.458,12 5.186,13 3.489,14 4.566,15 4.738,16 3.996,17 3.83,18 5.677,19 3.851,20 4.727,21 4.902,22 4.09,23 3.977,24 5.869,25 3.972,26 4.831,27 5.018,28 4.066,29 3.995,30 6.002,31 3.977,32 4.89,33 5.106,34 3.938,35 3.972,36 5.966,37 3.923,38 4.772,39 4.987,40 3.785,41 3.938,42 5.758,43 3.84,44 4.787,45 5.066,46 3.612,47 3.794,48 5.741,49 3.669,50 4.551,51 4.826,52 3.491,53 3.527,54 5.488,55 3.46,56 0.12,57 0.748,58 9.553,59 3.968,60 10.433,61 5.073,62 0.542,63 1.15,64 19.934,65 6.344,66 30.037,67 8.279,68 0.658,69 1.346,70 23.145,71 7.489,72 40.31,73 10.295,74 0.6,75 1.427,76 26.205,77 8.186,78 60.335,79 11.24,80 0.977,81 1.393,82 30.682,83 8.518,84 77.704,85 11.803,86 0.597,87 1.312,88 25.46,89 8.721,90 43.132,91 12.504,92 0.647,93 1.228,94 29.047,95 8.306,96 62.187,97 13.101,98 0.588,99 0.92,100 23.665,101 6.099,102 42.078,103 9.415,104 21,105 44,106 0.284,107 0.627,108 0.728,109 0.776,110 0.811,111 0.818,112 3.375,113 0.859,114 -2.47,115 -2.5,116 -2.45,119 38.8,124 2,125 4,140 4,141 1,142 2,144 1,145 1,148 1,149 1,150 1,156 1,161 1,162 1,163 1,169 2,171 4,172 7,173 1,174 1,176 1,178 1,180 1,181 4,182 7,186 1,189 1,191 1,192 1,193 6,194 2,195 2,197 1,201 1,202 5,203 1,205 1,206 1,214 3,215 1,217 1,218 1,225 3,226 3,228 1,229 1,236 2,237 3,248 1,249 4,251 1,252 1,259 1198,260 19.187,261 19.187,262 19.187,263 19.187,264 19.187,265 17.239,266 24.121,267 11.057,268 19.869,269 15.147,270 15.147,271 15.147,272 15.147,273 15.147,274 11.994,275 32.388,276 5.047,277 16.051,278 3.93,279 1.896,280 1.296,281 1.01,282 0.806,283 0.766,284 4.069,287 1,288 1,289 1,290 705,291 3.082,294 84.542,295 238.997,299 128.854,302 1.893,303 32.078,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 62.5,315 325,316 4.597,317 3.696,318 6.585,319 4.12,320 3.164,321 4.54,322 1.2,323 10.508,324 3.031,325 4.25,326 3.306,327 6.395,328 3.961,329 2.984,330 3.74,331 0.86,332 9.685,333 2.921,334 4.072,335 3.105,336 6.135,337 3.708,338 2.782,339 3.569,340 0.86,341 9.037,342 2.563,343 3.792,344 2.778,345 5.961,346 3.469,347 2.528,348 3.102,349 0.8,350 8.305,351 2.366,352 3.497,353 2.359,354 5.248,355 3.157,356 2.203,357 2.782,358 0.293,359 6.398,360 2.094,361 3.398,362 2.234,363 5.088,364 2.916,365 1.974,366 2.734,368 5.904,369 1.855,370 2.941,371 2.12,372 4.535,373 2.557,374 1.609,375 2.036,377 4.512,378 1.525,379 2.778,380 1.954,381 4.321,382 2.41,383 1.487,384 1.838,386 3.889,387 1.361,388 2.493,389 1.56,390 3.861,391 2.163,392 1.218,393 1.491,395 2.989,396 1.143,397 2.123,398 1.146,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2.118,407 1.037,408 3.375,409 1.636,410 0.699,411 0.927,413 1.52,414 0.639,415 2,416 1.027,417 3.09,418 1.618,419 0.618,420 0.87,422 1.372,423 0.618,424 1.89,425 0.965,426 3,427 1.536,428 0.543,429 0.742,431 1.265,432 0.539,433 1.516,434 0.618,435 2.858,436 1.225,437 0.376,438 0.412,440 0.52,441 0.317,442 1.187,443 0.205,444 2.633,445 0.794,446 -0.122,447 -0.152,449 -0.255,450 -0.111,451 12.833,452 0.458,453 0.657,454 0.023,455 37.5,456 1.339,457 17.5,458 0.625,459 20,460 0.714,461 21.573,462 0.77,463 30.967,464 0.632,465 29.142,466 1.041,467 7.732,468 0.276,469 5.868,470 0.21,471 0.135,473 0.374,479 0.899,480 1.591,481 0.73,482 1.271,483 0.726,484 1.002,485 1.147,486 0.895,487 0.823,488 0.773,489 0.696,490 0.725,491 0.887,492 1.178,493 0.903,494 1.014,495 0.798,496 0.958,497 1.117,498 1.295,499 1.083,500 1.209,501 1.52,502 1.143,503 1.274,504 0.828,505 1.202,506 0.849,507 1.42,508 0.982,509 0.708,510 1.236,511 1.145,512 1.283,513 0.664,514 1.317,515 0.577,516 0.976,517 0.94,518 1.005,519 0.654,520 1.038,521 0.93,522 0.757,523 0.858,524 0.73,525 0.75,526 0.751,527 5.5,528 0.162,529 3.778,530 1.903,531 2.031,532 1.084,533 0.634,534 0.416,535 0.231,536 0.186,537 10102,538 29819,539 2.094,540 42.9,542 18,543 1,545 2,550 1.708,551 1.953,552 3.501,553 0.318,554 1,555 1,559 82.562,560 1.685,561 3.719,562 4.319,563 4.604,564 4.808,565 4.849,566 2.968,567 4.423,568 4.777,569 3.664,570 1384.98,571 8.293,572 18203.3,574 1,576 1,577 275.121,578 1.432,579 4.736,580 0.177,581 0.008,582 0.086,583 0.04,584 0.046,585 0.029,586 0.02,587 0.016,588 0.01,589 0.008,590 0.44,591 0.33,592 1,593 0.845,594 140.947,595 -0.09,596 -0.353,597 0.067,598 -0.185,599 -0.069,600 -0.045,601 -0.088,602 0.221,603 0.105,604 0.205,605 0.034,606 0.198,607 0.058,608 -0.068,609 0.007,610 -0.02,611 0.083,612 -0.013,613 -0.129,614 -0.222,615 -0.149,616 -0.237,617 -0.167,618 -0.205,619 -0.149,620 0.166,621 -0.2,622 0.082,623 -0.228,624 -0.05,625 0.043,626 -0.215,627 -0.222,628 -0.268,629 -0.04,630 -0.311,631 0.114,632 -0.047,633 0.065,634 -0.06,635 0.086,636 -0.017,637 -0.001,638 0.14,639 0.195,640 0.184,641 0.041,642 0.239,643 1.777,644 5.401,645 0.75,646 28.383,647 1.018,648 1.136,649 1.241,650 1.541,651 0.652,652 3.466,653 3.807,654 4.127,655 4.382,656 4.605,657 4.745,658 4.875,659 4.984,660 5.13,661 5.176,662 6.791,663 0.636,664 383.45,665 3.466,666 5.017,667 5.889,668 6.777,669 7.662,670 8.555,671 9.445,672 10.339,673 11.232,674 12.128,675 10.2,679 1,681 1,682 1,685 2,687 2,688 5,689 2,691 1,693 5,695 16,703 1,705 1,709 1,712 2,714 49,716 17,717 1,718 31,720 52,721 19,722 12,723 4,724 2,725 1,730 4,731 5,745 13,746 6,750 1,755 1,759 1,760 1,761 1,763 1,764 21,765 9,766 2,767 9,773 5,777 0.75,778 4,787 1,792 1,793 3,797 1,819 3,823 2,827 28,828 1,833 4,835 2,838 2,847 8.2,850 1,852 3,854 14.333,855 9.467,856 6.25,857 2.728,858 2.919,859 1.378,860 0.985,861 5.283,862 10.635,863 3.714,864 4.327,865 4.955,866 5.534,867 6.047,868 6.44,869 6.792,870 7.146,871 7.512,872 7.545,873 0.875,874 47,875 10.33,877 4.392,878 7.815,879 19.463,881 15.722,883 2.315,884 64.833,888 223.651,889 109.418,890 72.717,892 56.652,895 109.418,896 280.303,897 72.717,898 21.766,899 11.547,900 82.542,901 63.421,902 49.835,903 21.447,904 211.88,906 223.651,907 182.135,908 56.652,911 223.651,912 56.652,915 15.59,916 132.973,917 33.571,919 223.651,920 129.369,921 109.418,924 223.651,925 38.007,926 77.659,928 123.12,929 223.651,930 129.369,931 109.418,933 0.582,934 0.362,935 0.196,936 0.101,937 22,938 10,939 0.077,940 4,941 1,942 1.095,943 3.946,944 247.474,945 0.095,946 21,947 130.606,951 18.838,952 7.852,953 3.629,954 1.377,955 129.369,956 8.431,957 9.091,959 5.196,961 2.397,963 32.897,964 462.438,965 40,970 12.401,974 -0.111,975 49.887,976 55.651,977 0.3,978 0.662,979 0.769,980 0.82,981 0.856,982 0.864,983 4.963,984 1.487,985 5.883,986 4.512,987 4.489,988 5.014,989 2.054,990 6.723,991 4.384,992 6.172,993 1.218,994 7.465,995 3.889,996 4.111,997 4.89,998 0.57,999 7.667,1000 3.96,1001 7.491,1002 1,1003 9.144,1004 2.989,1005 6.116,1006 7.251,1007 1.972,1008 10.764,1009 5.92,1010 8.847,1011 0.699,1012 10.879,1013 2.275,1014 6.567,1015 7.98,1016 0.801,1017 12.49,1018 6.331,1019 10.236,1020 0.618,1021 12.648,1022 1.52,1023 8.022,1024 9.804,1025 2.026,1026 15.095,1027 7.746,1028 11.646,1029 0.543,1030 14.44,1031 1.372,1032 8.836,1033 10.925,1034 1.074,1035 17.141,1036 8.524,1037 13.073,1038 0.376,1039 16.247,1040 1.265,1041 10.082,1042 12.546,1043 2.163,1044 19.569,1045 9.733,1046 3.164,1047 -0.122,1048 18.064,1049 0.52,1050 11.061,1051 13.861,1052 1.404,1053 21.758,1054 10.678,1055 2.984,1056 10.508,1057 19.89,1058 -0.255,1059 12.226,1060 15.403,1061 2.362,1062 24.118,1063 11.807,1064 2.782,1065 9.685,1066 21.723,1067 4.54,1068 13.282,1069 16.813,1070 1.768,1071 26.375,1072 12.829,1073 2.528,1074 9.037,1075 23.56,1076 3.74,1077 14.417,1078 18.326,1079 2.606,1080 28.709,1081 13.929,1082 2.203,1083 8.305,1084 25.402,1085 3.569,1086 15.508,1087 19.785,1088 2.15,1089 31,1090 14.987,1091 1.974,1092 6.398,1093 27.246,1094 3.102,1095 16.634,1096 21.29,1097 2.881,1098 33.326,1099 16.078,1100 1.609,1101 5.904,1102 29.094,1103 2.782,1104 17.744,1105 22.773,1106 2.538,1107 35.636,1108 17.153,1109 9610,1110 16641,1111 20.69,1112 31.938,1113 46.8,1114 48.006,1115 48.249,1116 46.421,1117 46.371,1118 59.568,1119 8.026,1120 136.361,1121 43.873,1122 5.597,1123 5.696,1124 6.182,1125 5.192,1126 5.164,1127 7.54,1128 2.293,1129 17.47,1130 5.031,1131 13.814,1132 1.51,1133 1.549,1134 1.556,1135 1.497,1136 1.496,1137 1.922,1138 0.259,1139 4.399,1140 1.415,1141 4.081,1142 4.113,1143 4.056,1144 3.968,1145 7.428,1146 3.985,1147 3.932,1148 3.949,1149 3.886,1150 3.759,1151 5.223,1152 3.786,1153 3.755,1154 3.803,1155 3.663,1156 3.565,1157 5.049,1158 3.579,1159 3.497,1160 3.538,1161 3.437,1162 3.26,1163 4.889,1164 3.299,1165 3.255,1166 3.32,1167 3.128,1168 2.978,1169 4.66,1170 2.999,1171 3.186,1172 3.241,1173 3.064,1174 2.941,1175 4.494,1176 2.948,1177 3.111,1178 3.206,1179 2.916,1180 2.919,1181 4.263,1182 2.91,1183 3.096,1184 3.198,1185 2.866,1186 2.834,1187 4.002,1188 2.834,1189 0.148,1190 0.119,1191 0.212,1192 0.133,1193 0.102,1194 4.597,1195 0.146,1196 3.696,1197 0.039,1198 6.585,1199 0.339,1200 4.12,1201 0.098,1202 3.164,1203 4.54,1204 1.2,1205 10.508,1206 3.031,1207 2.001,1208 1.979,1209 2.053,1210 2.135,1211 1.28,1212 2.111,1213 1.764,1214 1.706,1215 1.944,1216 1.982,1217 1.158,1218 1.972,1219 1.506,1220 1.473,1221 1.662,1222 1.696,1223 0.825,1224 1.662,1225 1.386,1226 1.351,1227 1.604,1228 1.613,1229 0.72,1230 1.615,1231 1.303,1232 1.288,1233 1.576,1234 1.584,1235 0.596,1236 1.548,1237 1.195,1238 1.121,1239 1.513,1240 1.525,1241 0.575,1242 1.54,1243 1.153,1244 1.064,1245 1.437,1246 1.376,1247 0.458,1248 1.429,1249 1.074,1250 0.982,1251 1.355,1252 1.365,1253 0.312,1254 1.38,1255 4.143,1257 5.476,1258 2.398,1259 7.015,1260 4.443,1261 8.646,1262 6.293,1263 10.327,1265 3.142,1269 6.167,1271 2.301,1273 10.672,1276 3.77,1280 31.181,1281 82.562,1282 182.208,1283 211.611,1284 225.611,1285 235.611,1286 237.611,1287 45.749,1288 7.716,1289 106.95,1290 106.95,1291 23,1292 12.653,1293 4.17,1294 3.322,1295 42.605,1296 114,1297 104,1298 0.184,1299 189.989,1300 324.16,1301 455.332,1302 23248,1304 19.673,1305 0.703,1306 0.561,1307 19.673,1308 15.714,1309 13.601,1310 0.439,1311 0.286,1312 8.65,1313 12.747,1314 8.454,1315 6.981,1316 13.601,1317 8.874,1318 12.019,1319 0.273,1320 0.145,1321 12.019,1322 6.39,1323 10.882,1324 0.178,1325 0.079,1326 10.882,1327 4.8,1328 8.991,1329 0.114,1330 0.041,1331 8.991,1332 3.274,1333 6.943,1334 0.07,1335 0.022,1336 6.943,1337 2.181,1338 0.29,1339 87.577,1340 0.22,1341 26.801,1342 0.499,1343 150,1344 506.835,1345 171.7,1346 471.722,1347 646.35,1348 444,1349 180,1350 479.204,1351 203.449,1352 479.608,1353 706.03,1354 448,1355 9.481} {0 CHEMBL2021524,1 1.778,2 8.682,3 4.79,4 22.946,5 80.614,6 7.986,7 0.261,8 3.822,9 3.928,10 3.59,11 3.383,12 4.84,13 3.323,14 4.466,15 4.629,16 4.044,17 3.767,18 6.084,19 3.712,20 4.759,21 4.974,22 3.984,23 3.907,24 6.394,25 3.821,26 4.739,27 4.986,28 3.765,29 3.92,30 5.742,31 3.775,32 4.741,33 4.984,34 3.85,35 3.891,36 5.81,37 3.755,38 4.754,39 4.998,40 3.822,41 3.751,42 5.978,43 3.664,44 4.653,45 4.906,46 3.616,47 3.509,48 5.996,49 3.448,50 4.371,51 4.623,52 3.269,53 3.195,54 5.788,55 3.121,56 0.136,57 0.814,58 10.837,59 5.075,60 38.308,61 5.493,62 0.941,63 1.674,64 25.35,65 8.642,66 197.578,67 9.639,68 1.276,69 1.396,70 28.447,71 9.796,72 262.519,73 12.695,74 0.645,75 1.394,76 29.557,77 10.702,78 103.488,79 13.458,80 0.534,81 1.392,82 31.407,83 11.104,84 92.423,85 13.855,86 0.784,87 1.467,88 34.094,89 10.005,90 139.185,91 11.976,92 1.008,93 1.367,94 31.552,95 8.645,96 178.059,97 9.536,98 0.974,99 1.045,100 24.371,101 6.327,102 158.402,103 6.674,104 49,105 34,106 0.318,107 0.586,108 0.802,109 0.857,110 0.865,111 0.865,112 3.147,113 1.176,114 -4.43,115 -4.36,116 -4.11,119 35.7,120 1,121 4,125 2,127 1,132 1,140 3,141 3,169 10,171 1,176 3,178 12,182 2,186 3,189 10,193 4,197 2,199 6,203 6,208 2,211 5,215 4,220 1,222 4,226 2,229 2,233 4,244 3,249 2,256 1,259 640,260 13.949,261 13.949,262 13.949,263 13.949,264 13.949,265 12.896,266 16.164,267 8.141,268 14.589,269 11.312,270 11.312,271 11.312,272 11.312,273 11.312,274 9.591,275 18.832,276 3.814,277 12.478,278 3.614,279 2.12,280 0.911,281 0.607,282 0.56,283 0.56,284 3.799,288 1,289 1,290 383,291 4.243,295 112.005,299 96.111,302 1.409,303 47.06,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 51,315 191,316 5.002,317 5.705,318 8.105,319 4.479,320 3.693,321 4.701,322 6.007,323 14.446,324 3.077,325 4.371,326 3.817,327 6.532,328 4.038,329 3.05,330 4.008,331 1.799,332 10.301,333 2.848,334 3.484,335 3.223,336 5.472,337 3.345,338 2.387,339 2.638,340 0.4,341 7.069,342 2.288,343 3.359,344 2.528,345 5.261,346 3.06,347 2.152,348 2.426,350 6.615,351 1.996,352 3.223,353 2.258,354 5.02,355 2.761,356 1.866,357 2.34,359 5.707,360 1.559,361 2.857,362 1.677,363 4.12,364 2.478,365 1.492,366 1.991,368 3.546,369 1.47,370 2.418,371 1.48,372 3.503,373 2.346,374 1.355,375 1.417,377 2.648,378 1.341,379 2.046,380 1.365,381 3.431,382 1.932,383 0.935,384 1.012,386 2.229,387 0.931,388 1.449,389 0.994,390 3.249,391 1.324,392 0.361,393 0.376,395 0.66,396 0.347,397 1.187,398 0.522,399 2.768,400 0.937,401 -0.032,402 -0.037,404 -0.072,405 -0.03,406 1,407 0.51,408 2.6,409 0.481,410 -0.498,411 -0.572,413 -1.113,414 -0.48,415 0.734,416 0.51,417 2.369,418 0.304,419 -0.67,420 -0.762,422 -1.937,423 -0.645,424 0.576,425 0.052,426 2.238,428 -1,429 -1,431 -2.261,432 -0.7,433 0.268,434 -0.153,435 2,436 -0.04,437 -1,438 -1,440 -3,441 -0.7,443 -0.399,444 2,445 -0.177,446 -1,447 -1.128,449 -3,450 -0.945,451 10.257,452 0.466,453 0.843,454 0.038,455 22.25,456 1.011,457 9,458 0.409,459 13.25,460 0.602,461 21.495,462 0.977,463 26.943,464 0.641,465 17.754,466 0.807,467 3.971,468 0.18,469 6.273,470 0.285,471 0.197,472 0.13,473 0.195,478 3,479 0.485,480 1.033,481 0.809,482 1.294,483 0.59,484 1.088,485 0.344,486 0.853,487 0.808,488 1.263,489 0.42,490 1.087,491 0.417,492 0.74,493 0.649,494 0.798,495 0.377,496 0.964,497 0.624,498 0.785,499 0.857,500 0.948,501 0.559,502 1.072,503 0.494,504 0.858,505 0.814,506 1.103,507 0.486,508 1.045,509 0.939,510 1.042,511 0.982,512 1.092,513 0.935,514 0.982,515 1.38,516 1.181,517 1.084,518 0.934,519 1.411,520 0.909,521 1.677,522 1.113,523 1.301,524 0.889,525 1.733,526 0.983,527 6.5,528 0.05,529 3.556,530 1.25,531 1.507,532 0.951,533 0.733,534 0.479,535 0.217,536 0.116,537 4093,538 14368,539 1.898,540 47.6,541 5,542 8,545 1,547 6,550 1.65,551 1.714,552 3.085,553 -0.22,559 74.681,560 1.778,561 3.273,562 4.481,563 4.785,564 4.833,565 4.833,566 2.534,567 3.607,568 4.428,569 3.226,570 745.12,571 7.632,572 8067.34,574 1,577 226.477,578 1.79,579 4.327,580 0.283,581 0.008,582 0.105,583 0.036,584 0.054,585 0.032,586 0.026,587 0.022,588 0.016,589 0.014,590 0.595,591 0.5,592 1,593 1.657,594 99.96,595 0.029,596 -0.002,597 0.173,598 0.019,599 -0.079,600 0.049,601 0.441,602 0.176,603 0.196,604 -0.113,605 0.359,606 -0.04,607 0.34,608 0.061,609 0.12,610 0.065,611 0.389,612 0.012,613 -0.025,614 0.02,615 -0.018,616 0.001,617 0.002,618 -0.043,619 0.061,620 -0.157,621 0.113,622 -0.096,623 0.074,624 0.006,625 -0.069,626 -0.204,627 0.023,628 -0.12,629 -0.054,630 -0.001,631 -0.161,632 -0.146,633 -0.062,634 -0.027,635 -0.182,636 0.01,637 -0.205,638 0.142,639 -0.231,640 0.03,641 -0.273,642 -0.096,643 6.454,644 4.594,645 0.455,646 15.835,647 1.026,648 1.153,649 3.2,650 10.241,651 0.637,652 3.178,653 3.555,654 3.738,655 3.85,656 4.143,657 4.205,658 4.304,659 4.357,660 4.344,661 4.078,662 5.208,663 0.609,664 335.43,665 3.178,666 4.745,667 5.58,668 6.472,669 7.344,670 8.237,671 9.121,672 10.015,673 10.905,674 11.799,675 2.4,677 1,688 3,693 3,695 6,714 42,716 8,717 1,718 23,720 43,721 15,722 6,723 3,724 3,730 2,731 3,736 1,740 4,743 5,745 6,746 9,750 2,753 1,755 2,762 3,764 20,765 6,766 1,767 7,768 1,773 1,777 0.5,778 2,793 2,797 1,814 1,819 1,821 1,823 1,825 3,827 22,829 1,833 6,834 1,837 1,839 1,846 3,847 4.8,850 2,854 12.833,855 7.512,856 4.743,857 2.718,858 1.416,859 1.215,860 0.952,861 5.189,862 7.995,863 3.367,864 3.961,865 4.327,866 4.686,867 5.208,868 5.383,869 5.626,870 5.881,871 5.955,872 5.699,873 0.833,874 35,875 10.603,877 8.434,878 8.5,879 15.305,881 13.107,883 3,884 66,888 223.651,889 72.125,890 18.011,892 44.313,893 44.88,894 6.046,895 66.079,896 267.964,897 62.891,898 8.825,899 13.144,900 52.485,901 44.313,902 54.437,904 223.651,905 6.125,906 223.651,907 84.09,908 89.193,909 6.046,911 153.024,912 114.94,913 44.88,914 6.125,915 39.979,916 37.985,917 6.046,919 268.531,920 62.324,921 72.125,923 6.046,924 229.776,925 22.7,926 37.254,927 18.011,928 89.193,929 223.651,930 107.204,931 72.125,933 0.598,934 0.336,935 0.144,936 0.089,937 16,938 8,939 0.116,940 5,941 1,942 1.2,943 3.207,944 168.074,945 0.2,946 10,947 91.353,950 1,951 17.304,952 6.597,953 4.038,955 107.204,956 4.999,961 1.998,963 18.011,964 402.98,965 28,968 -5.139,970 22.84,975 43.091,976 48.423,977 0.33,978 0.607,979 0.831,980 0.887,981 0.896,982 0.896,983 4.659,984 0.935,985 5.673,986 2.648,987 4.234,988 4.644,989 4.145,990 6.603,991 4.058,992 5.922,993 0.361,994 7.339,995 2.229,996 4.29,997 4.966,998 4.961,999 8.138,1000 3.848,1001 7.315,1002 -0.032,1003 9.144,1004 0.66,1005 6.052,1006 6.977,1007 7.399,1008 11.168,1009 5.624,1010 8.753,1011 -0.498,1012 11.036,1013 -0.072,1014 6.878,1015 8.068,1016 8.784,1017 13.474,1018 6.146,1019 10.233,1020 -0.67,1021 12.986,1022 -1.113,1023 8.28,1024 9.735,1025 10.869,1026 16.218,1027 7.511,1028 11.741,1029 -1,1030 14.973,1031 -1.937,1032 9.4,1033 11.1,1034 12.467,1035 18.767,1036 8.352,1037 13.271,1038 -1,1039 16.988,1040 -2.261,1041 10.707,1042 12.671,1043 14.399,1044 21.448,1045 9.559,1046 3.693,1047 -1,1048 19.023,1049 -3,1050 11.935,1051 14.135,1052 16.097,1053 24.075,1054 10.544,1055 3.05,1056 14.446,1057 21.072,1058 -3,1059 13.223,1060 15.678,1061 17.957,1062 26.743,1063 11.686,1064 2.387,1065 10.301,1066 23.132,1067 4.701,1068 14.491,1069 17.181,1070 19.703,1071 29.397,1072 12.736,1073 2.152,1074 7.069,1075 25.199,1076 4.008,1077 15.78,1078 18.717,1079 21.529,1080 32.064,1081 13.854,1082 1.866,1083 6.615,1084 27.272,1085 2.638,1086 17.065,1087 20.238,1088 23.299,1089 34.727,1090 14.934,1091 1.492,1092 5.707,1093 29.35,1094 2.426,1095 18.358,1096 21.773,1097 25.108,1098 37.395,1099 16.044,1100 1.355,1101 3.546,1102 31.431,1103 2.34,1104 19.652,1105 23.304,1106 26.89,1107 40.063,1108 17.138,1109 4310,1110 8432,1111 14.099,1112 26.75,1113 34.503,1114 35.706,1115 36.169,1116 34.876,1117 34.583,1118 41.819,1119 16.412,1120 106.44,1121 31.71,1122 5.948,1123 7.705,1124 7.968,1125 5.577,1126 5.693,1127 7.701,1128 10.202,1129 22.708,1130 5.077,1131 13.971,1132 1.5,1133 1.552,1134 1.573,1135 1.516,1136 1.504,1137 1.818,1138 0.714,1139 4.628,1140 1.379,1141 4.097,1142 4.096,1143 4.752,1144 4.073,1145 8.518,1146 4.01,1147 3.91,1148 3.891,1149 3.93,1150 3.854,1151 7.999,1152 3.767,1153 3.663,1154 3.73,1155 3.526,1156 3.508,1157 7.999,1158 3.499,1159 3.468,1160 3.534,1161 3.293,1162 3.342,1163 7.7,1164 3.319,1165 3.17,1166 3.246,1167 3.105,1168 3.015,1169 6.999,1170 3.001,1171 3.009,1172 3.096,1173 2.963,1174 2.763,1175 4.715,1176 2.756,1177 2.932,1178 3.014,1179 2.76,1180 2.65,1181 4.317,1182 2.656,1183 2.72,1184 2.798,1185 2.561,1186 2.537,1187 4.014,1188 2.517,1189 0.217,1190 0.248,1191 0.352,1192 0.195,1193 0.161,1194 5.002,1195 0.204,1196 5.705,1197 0.261,1198 8.105,1199 0.628,1200 4.479,1201 0.134,1202 3.693,1203 4.701,1204 6.007,1205 14.446,1206 3.077,1207 2.03,1208 2.015,1209 2.136,1210 2.108,1211 1.465,1212 2.13,1213 1.742,1214 1.77,1215 1.926,1216 1.898,1217 1.194,1218 1.934,1219 1.636,1220 1.581,1221 1.769,1222 1.813,1223 1.126,1224 1.849,1225 1.48,1226 1.425,1227 1.53,1228 1.645,1229 0.84,1230 1.672,1231 1.164,1232 1.098,1233 1.413,1234 1.388,1235 0.745,1236 1.42,1237 0.976,1238 0.879,1239 1.344,1240 1.253,1241 0.501,1242 1.287,1243 0.831,1244 0.755,1245 1.088,1246 1.165,1247 0.296,1248 1.14,1249 0.744,1250 0.66,1251 0.948,1252 0.956,1253 0.156,1254 1.006,1255 3.85,1257 5.209,1259 6.767,1261 8.416,1263 10.11,1265 2.047,1267 37.782,1271 3.12,1272 3.361,1275 0.196,1277 -5.204,1280 25.583,1281 74.681,1282 137.458,1283 188.213,1284 200.968,1285 202.968,1286 202.968,1287 61.675,1288 6.579,1289 46.17,1290 54.55,1291 12,1292 12.326,1293 3.17,1294 2.585,1295 42.019,1296 67,1297 84,1298 0.315,1299 160.599,1300 289.82,1301 383.621,1302 5207,1303 7.1,1304 16.38,1305 0.745,1306 0.601,1307 14.13,1308 13.227,1309 10.243,1310 0.445,1311 0.392,1312 7.384,1313 9.041,1314 7.091,1315 5.859,1316 9.92,1317 9.016,1318 10.274,1319 0.302,1320 0.225,1321 10.083,1322 7.635,1323 7.681,1324 0.187,1325 0.131,1326 6.19,1327 5.36,1328 5.121,1329 0.111,1330 0.079,1331 5.466,1332 3.65,1333 4.515,1334 0.073,1335 0.047,1336 4.737,1337 2.939,1338 0.479,1339 73.182,1340 0.266,1341 21.339,1342 0.911,1343 114,1344 518.998,1345 182.211,1346 436.603,1347 547.97,1348 396,1349 132,1350 339.476,1351 193.549,1352 358.789,1353 544,1354 332,1355 5.901} {0 CHEMBL2021525,1 1.778,2 9.227,3 4.79,4 22.946,5 80.614,6 7.986,7 0.261,8 3.822,9 3.928,10 3.59,11 3.383,12 4.84,13 3.323,14 4.466,15 4.629,16 4.044,17 3.767,18 6.084,19 3.712,20 4.759,21 4.974,22 3.984,23 3.907,24 6.394,25 3.821,26 4.739,27 4.986,28 3.765,29 3.92,30 5.744,31 3.775,32 4.741,33 4.984,34 3.829,35 3.888,36 5.81,37 3.746,38 4.747,39 4.999,40 3.753,41 3.72,42 5.972,43 3.627,44 4.595,45 4.851,46 3.5,47 3.4,48 5.932,49 3.358,50 4.236,51 4.501,52 3.04,53 3.049,54 5.589,55 2.964,56 0.136,57 0.814,58 10.837,59 5.075,60 38.308,61 5.493,62 0.941,63 1.674,64 25.35,65 8.642,66 197.578,67 9.639,68 1.276,69 1.396,70 28.447,71 9.796,72 262.463,73 12.695,74 0.645,75 1.394,76 29.557,77 10.702,78 103.825,79 13.458,80 0.537,81 1.384,82 31.388,83 11.13,84 90.774,85 13.864,86 0.777,87 1.426,88 34.59,89 10.285,90 140.605,91 12.184,92 0.968,93 1.297,94 28.675,95 7.48,96 176.86,97 8.454,98 0.853,99 0.895,100 21.088,101 5.541,102 144.602,103 5.695,104 49,105 34,106 0.318,107 0.586,108 0.802,109 0.857,110 0.865,111 0.865,112 3.147,113 1.176,114 -4.43,115 -4.36,116 -4.11,119 35.7,120 1,121 4,125 2,127 1,132 1,140 3,141 3,169 10,171 1,176 3,178 12,182 2,186 3,189 10,193 4,197 2,199 6,203 6,208 2,211 5,215 6,220 1,222 4,233 4,240 2,244 3,256 1,259 616,260 13.949,261 13.949,262 13.949,263 13.949,264 13.949,265 12.896,266 16.164,267 8.138,268 14.589,269 11.312,270 11.312,271 11.312,272 11.312,273 11.312,274 9.591,275 18.832,276 3.81,277 12.478,278 3.614,279 2.12,280 0.911,281 0.607,282 0.56,283 0.56,284 3.799,288 1,289 1,290 407,291 4.243,295 112.005,299 96.111,302 1.793,303 46.788,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 51,315 203,316 5.002,317 5.705,318 8.105,319 4.479,320 3.693,321 4.701,322 6.007,323 14.446,324 3.073,325 4.369,326 3.817,327 6.525,328 4.034,329 3.045,330 4.008,331 1.799,332 10.266,333 2.849,334 3.538,335 3.219,336 5.525,337 3.394,338 2.434,339 2.689,340 0.4,341 7.31,342 2.337,343 3.337,344 2.587,345 5.274,346 2.98,347 2.108,348 2.387,350 6.536,351 1.89,352 3.141,353 2.136,354 4.925,355 2.734,356 1.807,357 2.263,359 5.457,360 1.573,361 2.907,362 1.762,363 4.169,364 2.54,365 1.549,366 2.056,368 3.75,369 1.518,370 2.418,371 1.5,372 3.469,373 2.36,374 1.375,375 1.417,377 2.625,378 1.352,379 2.078,380 1.344,381 3.453,382 1.94,383 0.944,384 1.042,386 2.205,387 0.939,388 1.346,389 0.995,390 3.249,391 1.274,392 0.314,393 0.32,395 0.535,396 0.301,397 1.251,398 0.51,399 2.763,400 0.934,401 -0.039,402 -0.047,404 -0.105,405 -0.037,406 1,407 0.51,408 2.615,409 0.555,410 -0.428,411 -0.473,413 -0.904,414 -0.419,415 0.754,416 0.49,417 2.34,418 0.26,419 -0.708,420 -0.827,422 -1.999,423 -0.667,424 0.57,425 0.022,426 2.259,428 -1,429 -1,431 -2.255,432 -0.7,433 0.269,434 -0.2,435 2,436 -0.042,437 -1,438 -1,440 -3,441 -0.7,443 -0.237,444 2,445 -0.176,446 -1,447 -1.125,449 -3,450 -0.949,451 10.257,452 0.466,453 0.843,454 0.038,455 22.25,456 1.011,457 9,458 0.409,459 13.25,460 0.602,461 21.363,462 0.971,463 26.943,464 0.641,465 17.652,466 0.802,467 3.971,468 0.18,469 6.273,470 0.285,471 0.197,472 0.13,473 0.195,478 3,479 0.485,480 1.033,481 0.809,482 1.294,483 0.59,484 1.088,485 0.344,486 0.853,487 0.808,488 1.263,489 0.42,490 1.087,491 0.417,492 0.74,493 0.649,494 0.798,495 0.377,496 0.964,497 0.624,498 0.785,499 0.857,500 0.948,501 0.558,502 1.072,503 0.499,504 0.851,505 0.836,506 1.114,507 0.49,508 1.071,509 0.917,510 1.036,511 0.983,512 1.098,513 0.923,514 0.962,515 1.538,516 1.21,517 1.013,518 0.831,519 1.544,520 0.889,521 1.839,522 1.271,523 1.315,524 0.802,525 1.806,526 0.965,527 6.5,528 0.083,529 3.556,530 1.375,531 1.427,532 1.007,533 0.651,534 0.385,535 0.217,536 0.116,537 4221,538 14828,539 1.898,540 47.6,541 5,542 8,545 1,547 6,550 1.646,551 1.714,552 3.143,553 -0.22,559 74.681,560 1.778,561 3.273,562 4.481,563 4.785,564 4.833,565 4.833,566 2.754,567 3.629,568 4.425,569 3.317,570 766.134,571 7.611,572 8288.77,574 1,577 226.477,578 1.79,579 4.327,580 0.283,581 0.012,582 0.105,583 0.039,584 0.051,585 0.035,586 0.024,587 0.02,588 0.02,589 0.013,590 0.601,591 0.5,592 1,593 1.657,594 100.576,595 0.029,596 -0.002,597 0.173,598 0.019,599 -0.079,600 0.049,601 0.441,602 0.176,603 0.196,604 -0.113,605 0.359,606 -0.04,607 0.34,608 0.061,609 0.12,610 0.065,611 0.389,612 0.012,613 -0.025,614 0.02,615 -0.018,616 0.001,617 0.004,618 -0.043,619 0.056,620 -0.15,621 0.091,622 -0.108,623 0.069,624 -0.021,625 -0.05,626 -0.215,627 0.03,628 -0.123,629 -0.038,630 0.028,631 -0.253,632 -0.16,633 -0.071,634 -0.006,635 -0.248,636 0.002,637 -0.311,638 0.093,639 -0.276,640 0.087,641 -0.333,642 -0.086,643 6.449,644 4.555,645 0.455,646 18.182,647 1.026,648 1.153,649 3.2,650 10.241,651 0.637,652 3.178,653 3.555,654 3.738,655 3.85,656 4.127,657 4.205,658 4.277,659 4.369,660 4.394,661 4.111,662 5.442,663 0.609,664 335.43,665 3.178,666 4.745,667 5.58,668 6.472,669 7.343,670 8.236,671 9.118,672 10.012,673 10.899,674 11.795,675 2.4,677 1,688 3,693 3,695 6,714 42,716 8,717 1,718 23,720 43,721 15,722 6,723 3,724 3,730 2,731 3,736 1,740 4,743 5,745 6,746 9,750 2,753 1,755 2,762 3,764 20,765 6,766 1,767 7,768 1,773 1,777 0.5,778 2,793 2,797 1,814 1,819 1,821 1,823 1,825 3,827 22,829 1,833 6,834 1,837 1,839 1,846 3,847 4.8,850 2,854 12.833,855 7.512,856 4.743,857 2.718,858 1.416,859 1.215,860 0.952,861 5.189,862 7.995,863 3.367,864 3.961,865 4.327,866 4.686,867 5.2,868 5.387,869 5.607,870 5.914,871 5.969,872 5.754,873 1,874 35,875 10.556,877 8.32,878 8.5,879 15.305,881 13.107,883 3,884 66,888 223.651,889 72.125,890 18.011,892 44.313,893 44.88,894 6.046,895 66.079,896 267.964,897 62.891,898 8.825,899 13.144,900 52.485,901 44.313,902 54.437,904 223.651,905 6.125,906 223.651,907 84.09,908 89.193,909 6.046,911 153.024,912 114.94,913 44.88,914 6.125,915 39.979,916 37.985,917 6.046,919 268.531,920 62.324,921 72.125,923 6.046,924 229.776,925 22.7,926 37.254,927 18.011,928 89.193,929 223.651,930 107.204,931 72.125,933 0.598,934 0.336,935 0.144,936 0.087,937 16,938 8,939 0.116,940 5,941 1,942 1.2,943 3.227,944 167.09,945 0.2,946 10,947 91.353,950 1,951 17.304,952 6.597,953 4.038,955 107.204,956 5.003,961 2.003,963 18.011,964 402.98,965 28,968 -5.128,970 22.751,975 43.091,976 48.423,977 0.33,978 0.607,979 0.831,980 0.887,981 0.896,982 0.896,983 4.659,984 0.944,985 5.673,986 2.625,987 4.234,988 4.644,989 4.145,990 6.603,991 4.058,992 5.922,993 0.314,994 7.339,995 2.205,996 4.29,997 4.966,998 4.961,999 8.138,1000 3.848,1001 7.315,1002 -0.039,1003 9.144,1004 0.535,1005 6.052,1006 6.977,1007 7.399,1008 11.168,1009 5.624,1010 8.753,1011 -0.428,1012 11.036,1013 -0.105,1014 6.878,1015 8.068,1016 8.784,1017 13.473,1018 6.146,1019 10.233,1020 -0.708,1021 12.986,1022 -0.904,1023 8.28,1024 9.735,1025 10.869,1026 16.217,1027 7.511,1028 11.741,1029 -1,1030 14.973,1031 -1.999,1032 9.4,1033 11.1,1034 12.467,1035 18.766,1036 8.352,1037 13.271,1038 -1,1039 16.988,1040 -2.255,1041 10.707,1042 12.671,1043 14.399,1044 21.447,1045 9.558,1046 3.693,1047 -1,1048 19.023,1049 -3,1050 11.934,1051 14.135,1052 16.097,1053 24.074,1054 10.542,1055 3.045,1056 14.446,1057 21.072,1058 -3,1059 13.223,1060 15.678,1061 17.957,1062 26.742,1063 11.684,1064 2.434,1065 10.266,1066 23.131,1067 4.701,1068 14.491,1069 17.181,1070 19.703,1071 29.396,1072 12.732,1073 2.108,1074 7.31,1075 25.199,1076 4.008,1077 15.779,1078 18.717,1079 21.529,1080 32.063,1081 13.849,1082 1.807,1083 6.536,1084 27.272,1085 2.689,1086 17.064,1087 20.238,1088 23.299,1089 34.727,1090 14.927,1091 1.549,1092 5.457,1093 29.35,1094 2.387,1095 18.357,1096 21.773,1097 25.108,1098 37.395,1099 16.036,1100 1.375,1101 3.75,1102 31.43,1103 2.263,1104 19.651,1105 23.304,1106 26.89,1107 40.062,1108 17.128,1109 4438,1110 8696,1111 14.099,1112 26.75,1113 34.423,1114 35.743,1115 36.168,1116 34.817,1117 34.539,1118 41.764,1119 16.412,1120 106.258,1121 31.666,1122 5.95,1123 7.705,1124 7.968,1125 5.577,1126 5.693,1127 7.701,1128 10.202,1129 22.708,1130 5.073,1131 14.074,1132 1.497,1133 1.554,1134 1.573,1135 1.514,1136 1.502,1137 1.816,1138 0.714,1139 4.62,1140 1.377,1141 4.097,1142 4.096,1143 4.752,1144 4.073,1145 8.518,1146 4.009,1147 3.911,1148 3.892,1149 3.93,1150 3.854,1151 7.999,1152 3.768,1153 3.662,1154 3.728,1155 3.527,1156 3.508,1157 7.999,1158 3.498,1159 3.468,1160 3.534,1161 3.292,1162 3.343,1163 7.7,1164 3.319,1165 3.165,1166 3.241,1167 3.103,1168 3.014,1169 6.999,1170 2.999,1171 3.026,1172 3.114,1173 2.962,1174 2.765,1175 4.715,1176 2.761,1177 2.924,1178 3.004,1179 2.764,1180 2.663,1181 4.316,1182 2.667,1183 2.718,1184 2.79,1185 2.577,1186 2.517,1187 4.014,1188 2.496,1189 0.217,1190 0.248,1191 0.352,1192 0.195,1193 0.161,1194 5.002,1195 0.204,1196 5.705,1197 0.261,1198 8.105,1199 0.628,1200 4.479,1201 0.134,1202 3.693,1203 4.701,1204 6.007,1205 14.446,1206 3.073,1207 2.03,1208 2.015,1209 2.136,1210 2.108,1211 1.465,1212 2.13,1213 1.745,1214 1.771,1215 1.926,1216 1.901,1217 1.197,1218 1.936,1219 1.632,1220 1.579,1221 1.767,1222 1.809,1223 1.121,1224 1.845,1225 1.482,1226 1.427,1227 1.529,1228 1.646,1229 0.846,1230 1.674,1231 1.165,1232 1.097,1233 1.43,1234 1.387,1235 0.742,1236 1.423,1237 0.978,1238 0.882,1239 1.329,1240 1.265,1241 0.498,1242 1.288,1243 0.836,1244 0.763,1245 1.083,1246 1.155,1247 0.297,1248 1.138,1249 0.73,1250 0.644,1251 0.95,1252 0.951,1253 0.156,1254 1.001,1255 3.85,1257 5.209,1259 6.767,1261 8.416,1263 10.11,1265 2.073,1267 37.664,1271 3.119,1272 3.406,1275 0.307,1277 -5.199,1280 25.583,1281 74.681,1282 137.458,1283 188.213,1284 200.968,1285 202.968,1286 202.968,1287 61.294,1288 6.579,1289 46.17,1290 54.55,1291 12,1292 12.322,1293 3.17,1294 2.585,1295 42.202,1296 71,1297 88,1298 0.304,1299 160.599,1300 289.82,1301 383.621,1302 5207,1303 7.1,1304 16.38,1305 0.745,1306 0.601,1307 14.13,1308 13.227,1309 10.243,1310 0.445,1311 0.392,1312 7.384,1313 9.041,1314 7.091,1315 5.859,1316 9.92,1317 9.016,1318 10.274,1319 0.302,1320 0.225,1321 10.083,1322 7.635,1323 7.674,1324 0.187,1325 0.131,1326 6.183,1327 5.357,1328 5.164,1329 0.112,1330 0.08,1331 5.508,1332 3.674,1333 4.447,1334 0.073,1335 0.048,1336 4.675,1337 2.915,1338 0.467,1339 73.182,1340 0.266,1341 21.499,1342 0.863,1343 114,1344 518.998,1345 182.211,1346 436.603,1347 547.97,1348 396,1349 132,1350 339.476,1351 193.549,1352 358.788,1353 543.99,1354 332,1355 5.824} {0 CHEMBL2021538,1 1.778,2 9.227,3 4.79,4 22.946,5 80.614,6 7.986,7 0.261,8 3.822,9 3.928,10 3.59,11 3.383,12 4.84,13 3.323,14 4.466,15 4.629,16 4.044,17 3.767,18 6.084,19 3.712,20 4.759,21 4.974,22 3.984,23 3.907,24 6.394,25 3.821,26 4.739,27 4.986,28 3.765,29 3.92,30 5.744,31 3.775,32 4.741,33 4.984,34 3.829,35 3.888,36 5.81,37 3.746,38 4.747,39 4.999,40 3.753,41 3.72,42 5.972,43 3.627,44 4.595,45 4.851,46 3.5,47 3.4,48 5.932,49 3.358,50 4.236,51 4.501,52 3.04,53 3.049,54 5.589,55 2.964,56 0.136,57 0.814,58 10.837,59 5.075,60 38.308,61 5.493,62 0.941,63 1.674,64 25.35,65 8.642,66 197.578,67 9.639,68 1.276,69 1.396,70 28.447,71 9.796,72 262.463,73 12.695,74 0.645,75 1.394,76 29.557,77 10.702,78 103.825,79 13.458,80 0.537,81 1.384,82 31.388,83 11.13,84 90.774,85 13.864,86 0.777,87 1.426,88 34.59,89 10.285,90 140.605,91 12.184,92 0.968,93 1.297,94 28.675,95 7.48,96 176.86,97 8.454,98 0.853,99 0.895,100 21.088,101 5.541,102 144.602,103 5.695,104 49,105 34,106 0.318,107 0.586,108 0.802,109 0.857,110 0.865,111 0.865,112 3.147,113 1.176,114 -4.43,115 -4.36,116 -4.11,119 35.7,120 1,121 4,125 2,127 1,132 1,140 3,141 3,169 10,171 1,176 3,178 12,182 2,186 3,189 10,193 4,197 2,199 6,203 6,208 2,211 5,215 6,220 1,222 4,233 4,240 2,244 3,256 1,259 616,260 13.949,261 13.949,262 13.949,263 13.949,264 13.949,265 12.896,266 16.164,267 8.138,268 14.589,269 11.312,270 11.312,271 11.312,272 11.312,273 11.312,274 9.591,275 18.832,276 3.81,277 12.478,278 3.614,279 2.12,280 0.911,281 0.607,282 0.56,283 0.56,284 3.799,288 1,289 1,290 407,291 4.243,295 112.005,299 96.111,302 1.793,303 46.788,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 51,315 203,316 5.002,317 5.705,318 8.105,319 4.479,320 3.693,321 4.701,322 6.007,323 14.446,324 3.073,325 4.369,326 3.817,327 6.525,328 4.034,329 3.045,330 4.008,331 1.799,332 10.266,333 2.849,334 3.538,335 3.219,336 5.525,337 3.394,338 2.434,339 2.689,340 0.4,341 7.31,342 2.337,343 3.337,344 2.587,345 5.274,346 2.98,347 2.108,348 2.387,350 6.536,351 1.89,352 3.141,353 2.136,354 4.925,355 2.734,356 1.807,357 2.263,359 5.457,360 1.573,361 2.907,362 1.762,363 4.169,364 2.54,365 1.549,366 2.056,368 3.75,369 1.518,370 2.418,371 1.5,372 3.469,373 2.36,374 1.375,375 1.417,377 2.625,378 1.352,379 2.078,380 1.344,381 3.453,382 1.94,383 0.944,384 1.042,386 2.205,387 0.939,388 1.346,389 0.995,390 3.249,391 1.274,392 0.314,393 0.32,395 0.535,396 0.301,397 1.251,398 0.51,399 2.763,400 0.934,401 -0.039,402 -0.047,404 -0.105,405 -0.037,406 1,407 0.51,408 2.615,409 0.555,410 -0.428,411 -0.473,413 -0.904,414 -0.419,415 0.754,416 0.49,417 2.34,418 0.26,419 -0.708,420 -0.827,422 -1.999,423 -0.667,424 0.57,425 0.022,426 2.259,428 -1,429 -1,431 -2.255,432 -0.7,433 0.269,434 -0.2,435 2,436 -0.042,437 -1,438 -1,440 -3,441 -0.7,443 -0.237,444 2,445 -0.176,446 -1,447 -1.125,449 -3,450 -0.949,451 10.257,452 0.466,453 0.843,454 0.038,455 22.25,456 1.011,457 9,458 0.409,459 13.25,460 0.602,461 21.363,462 0.971,463 26.943,464 0.641,465 17.652,466 0.802,467 3.971,468 0.18,469 6.273,470 0.285,471 0.197,472 0.13,473 0.195,478 3,479 0.485,480 1.033,481 0.809,482 1.294,483 0.59,484 1.088,485 0.344,486 0.853,487 0.808,488 1.263,489 0.42,490 1.087,491 0.417,492 0.74,493 0.649,494 0.798,495 0.377,496 0.964,497 0.624,498 0.785,499 0.857,500 0.948,501 0.558,502 1.072,503 0.499,504 0.851,505 0.836,506 1.114,507 0.49,508 1.071,509 0.917,510 1.036,511 0.983,512 1.098,513 0.923,514 0.962,515 1.538,516 1.21,517 1.013,518 0.831,519 1.544,520 0.889,521 1.839,522 1.271,523 1.315,524 0.802,525 1.806,526 0.965,527 6.5,528 0.083,529 3.556,530 1.375,531 1.427,532 1.007,533 0.651,534 0.385,535 0.217,536 0.116,537 4221,538 14828,539 1.898,540 47.6,541 5,542 8,545 1,547 6,550 1.646,551 1.714,552 3.143,553 -0.22,559 74.681,560 1.778,561 3.273,562 4.481,563 4.785,564 4.833,565 4.833,566 2.754,567 3.629,568 4.425,569 3.317,570 766.134,571 7.611,572 8288.77,574 1,577 226.477,578 1.79,579 4.327,580 0.283,581 0.012,582 0.105,583 0.039,584 0.051,585 0.035,586 0.024,587 0.02,588 0.02,589 0.013,590 0.601,591 0.5,592 1,593 1.657,594 100.576,595 0.029,596 -0.002,597 0.173,598 0.019,599 -0.079,600 0.049,601 0.441,602 0.176,603 0.196,604 -0.113,605 0.359,606 -0.04,607 0.34,608 0.061,609 0.12,610 0.065,611 0.389,612 0.012,613 -0.025,614 0.02,615 -0.018,616 0.001,617 0.004,618 -0.043,619 0.056,620 -0.15,621 0.091,622 -0.108,623 0.069,624 -0.021,625 -0.05,626 -0.215,627 0.03,628 -0.123,629 -0.038,630 0.028,631 -0.253,632 -0.16,633 -0.071,634 -0.006,635 -0.248,636 0.002,637 -0.311,638 0.093,639 -0.276,640 0.087,641 -0.333,642 -0.086,643 6.449,644 4.555,645 0.455,646 18.182,647 1.026,648 1.153,649 3.2,650 10.241,651 0.637,652 3.178,653 3.555,654 3.738,655 3.85,656 4.127,657 4.205,658 4.277,659 4.369,660 4.394,661 4.111,662 5.442,663 0.609,664 335.43,665 3.178,666 4.745,667 5.58,668 6.472,669 7.343,670 8.236,671 9.118,672 10.012,673 10.899,674 11.795,675 2.4,677 1,688 3,693 3,695 6,714 42,716 8,717 1,718 23,720 43,721 15,722 6,723 3,724 3,730 2,731 3,736 1,740 4,743 5,745 6,746 9,750 2,753 1,755 2,762 3,764 20,765 6,766 1,767 7,768 1,773 1,777 0.5,778 2,793 2,797 1,814 1,819 1,821 1,823 1,825 3,827 22,829 1,833 6,834 1,837 1,839 1,846 3,847 4.8,850 2,854 12.833,855 7.512,856 4.743,857 2.718,858 1.416,859 1.215,860 0.952,861 5.189,862 7.995,863 3.367,864 3.961,865 4.327,866 4.686,867 5.2,868 5.387,869 5.607,870 5.914,871 5.969,872 5.754,873 1,874 35,875 10.556,877 8.32,878 8.5,879 15.305,881 13.107,883 3,884 66,888 223.651,889 72.125,890 18.011,892 44.313,893 44.88,894 6.046,895 66.079,896 267.964,897 62.891,898 8.825,899 13.144,900 52.485,901 44.313,902 54.437,904 223.651,905 6.125,906 223.651,907 84.09,908 89.193,909 6.046,911 153.024,912 114.94,913 44.88,914 6.125,915 39.979,916 37.985,917 6.046,919 268.531,920 62.324,921 72.125,923 6.046,924 229.776,925 22.7,926 37.254,927 18.011,928 89.193,929 223.651,930 107.204,931 72.125,933 0.598,934 0.336,935 0.144,936 0.087,937 16,938 8,939 0.116,940 5,941 1,942 1.2,943 3.227,944 167.09,945 0.2,946 10,947 91.353,950 1,951 17.304,952 6.597,953 4.038,955 107.204,956 5.003,961 2.003,963 18.011,964 402.98,965 28,968 -5.128,970 22.751,975 43.091,976 48.423,977 0.33,978 0.607,979 0.831,980 0.887,981 0.896,982 0.896,983 4.659,984 0.944,985 5.673,986 2.625,987 4.234,988 4.644,989 4.145,990 6.603,991 4.058,992 5.922,993 0.314,994 7.339,995 2.205,996 4.29,997 4.966,998 4.961,999 8.138,1000 3.848,1001 7.315,1002 -0.039,1003 9.144,1004 0.535,1005 6.052,1006 6.977,1007 7.399,1008 11.168,1009 5.624,1010 8.753,1011 -0.428,1012 11.036,1013 -0.105,1014 6.878,1015 8.068,1016 8.784,1017 13.473,1018 6.146,1019 10.233,1020 -0.708,1021 12.986,1022 -0.904,1023 8.28,1024 9.735,1025 10.869,1026 16.217,1027 7.511,1028 11.741,1029 -1,1030 14.973,1031 -1.999,1032 9.4,1033 11.1,1034 12.467,1035 18.766,1036 8.352,1037 13.271,1038 -1,1039 16.988,1040 -2.255,1041 10.707,1042 12.671,1043 14.399,1044 21.447,1045 9.558,1046 3.693,1047 -1,1048 19.023,1049 -3,1050 11.934,1051 14.135,1052 16.097,1053 24.074,1054 10.542,1055 3.045,1056 14.446,1057 21.072,1058 -3,1059 13.223,1060 15.678,1061 17.957,1062 26.742,1063 11.684,1064 2.434,1065 10.266,1066 23.131,1067 4.701,1068 14.491,1069 17.181,1070 19.703,1071 29.396,1072 12.732,1073 2.108,1074 7.31,1075 25.199,1076 4.008,1077 15.779,1078 18.717,1079 21.529,1080 32.063,1081 13.849,1082 1.807,1083 6.536,1084 27.272,1085 2.689,1086 17.064,1087 20.238,1088 23.299,1089 34.727,1090 14.927,1091 1.549,1092 5.457,1093 29.35,1094 2.387,1095 18.357,1096 21.773,1097 25.108,1098 37.395,1099 16.036,1100 1.375,1101 3.75,1102 31.43,1103 2.263,1104 19.651,1105 23.304,1106 26.89,1107 40.062,1108 17.128,1109 4438,1110 8696,1111 14.099,1112 26.75,1113 34.423,1114 35.743,1115 36.168,1116 34.817,1117 34.539,1118 41.764,1119 16.412,1120 106.258,1121 31.666,1122 5.95,1123 7.705,1124 7.968,1125 5.577,1126 5.693,1127 7.701,1128 10.202,1129 22.708,1130 5.073,1131 14.074,1132 1.497,1133 1.554,1134 1.573,1135 1.514,1136 1.502,1137 1.816,1138 0.714,1139 4.62,1140 1.377,1141 4.097,1142 4.096,1143 4.752,1144 4.073,1145 8.518,1146 4.009,1147 3.911,1148 3.892,1149 3.93,1150 3.854,1151 7.999,1152 3.768,1153 3.662,1154 3.728,1155 3.527,1156 3.508,1157 7.999,1158 3.498,1159 3.468,1160 3.534,1161 3.292,1162 3.343,1163 7.7,1164 3.319,1165 3.165,1166 3.241,1167 3.103,1168 3.014,1169 6.999,1170 2.999,1171 3.026,1172 3.114,1173 2.962,1174 2.765,1175 4.715,1176 2.761,1177 2.924,1178 3.004,1179 2.764,1180 2.663,1181 4.316,1182 2.667,1183 2.718,1184 2.79,1185 2.577,1186 2.517,1187 4.014,1188 2.496,1189 0.217,1190 0.248,1191 0.352,1192 0.195,1193 0.161,1194 5.002,1195 0.204,1196 5.705,1197 0.261,1198 8.105,1199 0.628,1200 4.479,1201 0.134,1202 3.693,1203 4.701,1204 6.007,1205 14.446,1206 3.073,1207 2.03,1208 2.015,1209 2.136,1210 2.108,1211 1.465,1212 2.13,1213 1.745,1214 1.771,1215 1.926,1216 1.901,1217 1.197,1218 1.936,1219 1.632,1220 1.579,1221 1.767,1222 1.809,1223 1.121,1224 1.845,1225 1.482,1226 1.427,1227 1.529,1228 1.646,1229 0.846,1230 1.674,1231 1.165,1232 1.097,1233 1.43,1234 1.387,1235 0.742,1236 1.423,1237 0.978,1238 0.882,1239 1.329,1240 1.265,1241 0.498,1242 1.288,1243 0.836,1244 0.763,1245 1.083,1246 1.155,1247 0.297,1248 1.138,1249 0.73,1250 0.644,1251 0.95,1252 0.951,1253 0.156,1254 1.001,1255 3.85,1257 5.209,1259 6.767,1261 8.416,1263 10.11,1265 2.073,1267 37.664,1271 3.119,1272 3.406,1275 0.307,1277 -5.199,1280 25.583,1281 74.681,1282 137.458,1283 188.213,1284 200.968,1285 202.968,1286 202.968,1287 61.294,1288 6.579,1289 46.17,1290 54.55,1291 12,1292 12.322,1293 3.17,1294 2.585,1295 42.202,1296 71,1297 88,1298 0.304,1299 160.599,1300 289.82,1301 383.621,1302 5207,1303 7.1,1304 16.38,1305 0.745,1306 0.601,1307 14.13,1308 13.227,1309 10.243,1310 0.445,1311 0.392,1312 7.384,1313 9.041,1314 7.091,1315 5.859,1316 9.92,1317 9.016,1318 10.274,1319 0.302,1320 0.225,1321 10.083,1322 7.635,1323 7.674,1324 0.187,1325 0.131,1326 6.183,1327 5.357,1328 5.164,1329 0.112,1330 0.08,1331 5.508,1332 3.674,1333 4.447,1334 0.073,1335 0.048,1336 4.675,1337 2.915,1338 0.467,1339 73.182,1340 0.266,1341 21.499,1342 0.863,1343 114,1344 518.998,1345 182.211,1346 436.603,1347 547.97,1348 396,1349 132,1350 339.476,1351 193.549,1352 358.788,1353 543.99,1354 332,1355 6.886} {0 CHEMBL2021539,1 1.778,2 8.682,3 4.79,4 22.946,5 80.614,6 7.986,7 0.261,8 3.822,9 3.928,10 3.59,11 3.383,12 4.84,13 3.323,14 4.466,15 4.629,16 4.044,17 3.767,18 6.084,19 3.712,20 4.759,21 4.974,22 3.984,23 3.907,24 6.394,25 3.821,26 4.739,27 4.986,28 3.765,29 3.92,30 5.742,31 3.775,32 4.741,33 4.984,34 3.85,35 3.891,36 5.81,37 3.755,38 4.754,39 4.998,40 3.822,41 3.751,42 5.978,43 3.664,44 4.653,45 4.906,46 3.616,47 3.509,48 5.996,49 3.448,50 4.371,51 4.623,52 3.269,53 3.195,54 5.788,55 3.121,56 0.136,57 0.814,58 10.837,59 5.075,60 38.308,61 5.493,62 0.941,63 1.674,64 25.35,65 8.642,66 197.578,67 9.639,68 1.276,69 1.396,70 28.447,71 9.796,72 262.519,73 12.695,74 0.645,75 1.394,76 29.557,77 10.702,78 103.488,79 13.458,80 0.534,81 1.392,82 31.407,83 11.104,84 92.423,85 13.855,86 0.784,87 1.467,88 34.094,89 10.005,90 139.185,91 11.976,92 1.008,93 1.367,94 31.552,95 8.645,96 178.059,97 9.536,98 0.974,99 1.045,100 24.371,101 6.327,102 158.402,103 6.674,104 49,105 34,106 0.318,107 0.586,108 0.802,109 0.857,110 0.865,111 0.865,112 3.147,113 1.176,114 -4.43,115 -4.36,116 -4.11,119 35.7,120 1,121 4,125 2,127 1,132 1,140 3,141 3,169 10,171 1,176 3,178 12,182 2,186 3,189 10,193 4,197 2,199 6,203 6,208 2,211 5,215 4,220 1,222 4,226 2,229 2,233 4,244 3,249 2,256 1,259 640,260 13.949,261 13.949,262 13.949,263 13.949,264 13.949,265 12.896,266 16.164,267 8.141,268 14.589,269 11.312,270 11.312,271 11.312,272 11.312,273 11.312,274 9.591,275 18.832,276 3.814,277 12.478,278 3.614,279 2.12,280 0.911,281 0.607,282 0.56,283 0.56,284 3.799,288 1,289 1,290 383,291 4.243,295 112.005,299 96.111,302 1.409,303 47.06,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 51,315 191,316 5.002,317 5.705,318 8.105,319 4.479,320 3.693,321 4.701,322 6.007,323 14.446,324 3.077,325 4.371,326 3.817,327 6.532,328 4.038,329 3.05,330 4.008,331 1.799,332 10.301,333 2.848,334 3.484,335 3.223,336 5.472,337 3.345,338 2.387,339 2.638,340 0.4,341 7.069,342 2.288,343 3.359,344 2.528,345 5.261,346 3.06,347 2.152,348 2.426,350 6.615,351 1.996,352 3.223,353 2.258,354 5.02,355 2.761,356 1.866,357 2.34,359 5.707,360 1.559,361 2.857,362 1.677,363 4.12,364 2.478,365 1.492,366 1.991,368 3.546,369 1.47,370 2.418,371 1.48,372 3.503,373 2.346,374 1.355,375 1.417,377 2.648,378 1.341,379 2.046,380 1.365,381 3.431,382 1.932,383 0.935,384 1.012,386 2.229,387 0.931,388 1.449,389 0.994,390 3.249,391 1.324,392 0.361,393 0.376,395 0.66,396 0.347,397 1.187,398 0.522,399 2.768,400 0.937,401 -0.032,402 -0.037,404 -0.072,405 -0.03,406 1,407 0.51,408 2.6,409 0.481,410 -0.498,411 -0.572,413 -1.113,414 -0.48,415 0.734,416 0.51,417 2.369,418 0.304,419 -0.67,420 -0.762,422 -1.937,423 -0.645,424 0.576,425 0.052,426 2.238,428 -1,429 -1,431 -2.261,432 -0.7,433 0.268,434 -0.153,435 2,436 -0.04,437 -1,438 -1,440 -3,441 -0.7,443 -0.399,444 2,445 -0.177,446 -1,447 -1.128,449 -3,450 -0.945,451 10.257,452 0.466,453 0.843,454 0.038,455 22.25,456 1.011,457 9,458 0.409,459 13.25,460 0.602,461 21.495,462 0.977,463 26.943,464 0.641,465 17.754,466 0.807,467 3.971,468 0.18,469 6.273,470 0.285,471 0.197,472 0.13,473 0.195,478 3,479 0.485,480 1.033,481 0.809,482 1.294,483 0.59,484 1.088,485 0.344,486 0.853,487 0.808,488 1.263,489 0.42,490 1.087,491 0.417,492 0.74,493 0.649,494 0.798,495 0.377,496 0.964,497 0.624,498 0.785,499 0.857,500 0.948,501 0.559,502 1.072,503 0.494,504 0.858,505 0.814,506 1.103,507 0.486,508 1.045,509 0.939,510 1.042,511 0.982,512 1.092,513 0.935,514 0.982,515 1.38,516 1.181,517 1.084,518 0.934,519 1.411,520 0.909,521 1.677,522 1.113,523 1.301,524 0.889,525 1.733,526 0.983,527 6.5,528 0.05,529 3.556,530 1.25,531 1.507,532 0.951,533 0.733,534 0.479,535 0.217,536 0.116,537 4093,538 14368,539 1.898,540 47.6,541 5,542 8,545 1,547 6,550 1.65,551 1.714,552 3.085,553 -0.22,559 74.681,560 1.778,561 3.273,562 4.481,563 4.785,564 4.833,565 4.833,566 2.534,567 3.607,568 4.428,569 3.226,570 745.12,571 7.632,572 8067.34,574 1,577 226.477,578 1.79,579 4.327,580 0.283,581 0.008,582 0.105,583 0.036,584 0.054,585 0.032,586 0.026,587 0.022,588 0.016,589 0.014,590 0.595,591 0.5,592 1,593 1.657,594 99.96,595 0.029,596 -0.002,597 0.173,598 0.019,599 -0.079,600 0.049,601 0.441,602 0.176,603 0.196,604 -0.113,605 0.359,606 -0.04,607 0.34,608 0.061,609 0.12,610 0.065,611 0.389,612 0.012,613 -0.025,614 0.02,615 -0.018,616 0.001,617 0.002,618 -0.043,619 0.061,620 -0.157,621 0.113,622 -0.096,623 0.074,624 0.006,625 -0.069,626 -0.204,627 0.023,628 -0.12,629 -0.054,630 -0.001,631 -0.161,632 -0.146,633 -0.062,634 -0.027,635 -0.182,636 0.01,637 -0.205,638 0.142,639 -0.231,640 0.03,641 -0.273,642 -0.096,643 6.454,644 4.594,645 0.455,646 15.835,647 1.026,648 1.153,649 3.2,650 10.241,651 0.637,652 3.178,653 3.555,654 3.738,655 3.85,656 4.143,657 4.205,658 4.304,659 4.357,660 4.344,661 4.078,662 5.208,663 0.609,664 335.43,665 3.178,666 4.745,667 5.58,668 6.472,669 7.344,670 8.237,671 9.121,672 10.015,673 10.905,674 11.799,675 2.4,677 1,688 3,693 3,695 6,714 42,716 8,717 1,718 23,720 43,721 15,722 6,723 3,724 3,730 2,731 3,736 1,740 4,743 5,745 6,746 9,750 2,753 1,755 2,762 3,764 20,765 6,766 1,767 7,768 1,773 1,777 0.5,778 2,793 2,797 1,814 1,819 1,821 1,823 1,825 3,827 22,829 1,833 6,834 1,837 1,839 1,846 3,847 4.8,850 2,854 12.833,855 7.512,856 4.743,857 2.718,858 1.416,859 1.215,860 0.952,861 5.189,862 7.995,863 3.367,864 3.961,865 4.327,866 4.686,867 5.208,868 5.383,869 5.626,870 5.881,871 5.955,872 5.699,873 0.833,874 35,875 10.603,877 8.434,878 8.5,879 15.305,881 13.107,883 3,884 66,888 223.651,889 72.125,890 18.011,892 44.313,893 44.88,894 6.046,895 66.079,896 267.964,897 62.891,898 8.825,899 13.144,900 52.485,901 44.313,902 54.437,904 223.651,905 6.125,906 223.651,907 84.09,908 89.193,909 6.046,911 153.024,912 114.94,913 44.88,914 6.125,915 39.979,916 37.985,917 6.046,919 268.531,920 62.324,921 72.125,923 6.046,924 229.776,925 22.7,926 37.254,927 18.011,928 89.193,929 223.651,930 107.204,931 72.125,933 0.598,934 0.336,935 0.144,936 0.089,937 16,938 8,939 0.116,940 5,941 1,942 1.2,943 3.207,944 168.074,945 0.2,946 10,947 91.353,950 1,951 17.304,952 6.597,953 4.038,955 107.204,956 4.999,961 1.998,963 18.011,964 402.98,965 28,968 -5.139,970 22.84,975 43.091,976 48.423,977 0.33,978 0.607,979 0.831,980 0.887,981 0.896,982 0.896,983 4.659,984 0.935,985 5.673,986 2.648,987 4.234,988 4.644,989 4.145,990 6.603,991 4.058,992 5.922,993 0.361,994 7.339,995 2.229,996 4.29,997 4.966,998 4.961,999 8.138,1000 3.848,1001 7.315,1002 -0.032,1003 9.144,1004 0.66,1005 6.052,1006 6.977,1007 7.399,1008 11.168,1009 5.624,1010 8.753,1011 -0.498,1012 11.036,1013 -0.072,1014 6.878,1015 8.068,1016 8.784,1017 13.474,1018 6.146,1019 10.233,1020 -0.67,1021 12.986,1022 -1.113,1023 8.28,1024 9.735,1025 10.869,1026 16.218,1027 7.511,1028 11.741,1029 -1,1030 14.973,1031 -1.937,1032 9.4,1033 11.1,1034 12.467,1035 18.767,1036 8.352,1037 13.271,1038 -1,1039 16.988,1040 -2.261,1041 10.707,1042 12.671,1043 14.399,1044 21.448,1045 9.559,1046 3.693,1047 -1,1048 19.023,1049 -3,1050 11.935,1051 14.135,1052 16.097,1053 24.075,1054 10.544,1055 3.05,1056 14.446,1057 21.072,1058 -3,1059 13.223,1060 15.678,1061 17.957,1062 26.743,1063 11.686,1064 2.387,1065 10.301,1066 23.132,1067 4.701,1068 14.491,1069 17.181,1070 19.703,1071 29.397,1072 12.736,1073 2.152,1074 7.069,1075 25.199,1076 4.008,1077 15.78,1078 18.717,1079 21.529,1080 32.064,1081 13.854,1082 1.866,1083 6.615,1084 27.272,1085 2.638,1086 17.065,1087 20.238,1088 23.299,1089 34.727,1090 14.934,1091 1.492,1092 5.707,1093 29.35,1094 2.426,1095 18.358,1096 21.773,1097 25.108,1098 37.395,1099 16.044,1100 1.355,1101 3.546,1102 31.431,1103 2.34,1104 19.652,1105 23.304,1106 26.89,1107 40.063,1108 17.138,1109 4310,1110 8432,1111 14.099,1112 26.75,1113 34.503,1114 35.706,1115 36.169,1116 34.876,1117 34.583,1118 41.819,1119 16.412,1120 106.44,1121 31.71,1122 5.948,1123 7.705,1124 7.968,1125 5.577,1126 5.693,1127 7.701,1128 10.202,1129 22.708,1130 5.077,1131 13.971,1132 1.5,1133 1.552,1134 1.573,1135 1.516,1136 1.504,1137 1.818,1138 0.714,1139 4.628,1140 1.379,1141 4.097,1142 4.096,1143 4.752,1144 4.073,1145 8.518,1146 4.01,1147 3.91,1148 3.891,1149 3.93,1150 3.854,1151 7.999,1152 3.767,1153 3.663,1154 3.73,1155 3.526,1156 3.508,1157 7.999,1158 3.499,1159 3.468,1160 3.534,1161 3.293,1162 3.342,1163 7.7,1164 3.319,1165 3.17,1166 3.246,1167 3.105,1168 3.015,1169 6.999,1170 3.001,1171 3.009,1172 3.096,1173 2.963,1174 2.763,1175 4.715,1176 2.756,1177 2.932,1178 3.014,1179 2.76,1180 2.65,1181 4.317,1182 2.656,1183 2.72,1184 2.798,1185 2.561,1186 2.537,1187 4.014,1188 2.517,1189 0.217,1190 0.248,1191 0.352,1192 0.195,1193 0.161,1194 5.002,1195 0.204,1196 5.705,1197 0.261,1198 8.105,1199 0.628,1200 4.479,1201 0.134,1202 3.693,1203 4.701,1204 6.007,1205 14.446,1206 3.077,1207 2.03,1208 2.015,1209 2.136,1210 2.108,1211 1.465,1212 2.13,1213 1.742,1214 1.77,1215 1.926,1216 1.898,1217 1.194,1218 1.934,1219 1.636,1220 1.581,1221 1.769,1222 1.813,1223 1.126,1224 1.849,1225 1.48,1226 1.425,1227 1.53,1228 1.645,1229 0.84,1230 1.672,1231 1.164,1232 1.098,1233 1.413,1234 1.388,1235 0.745,1236 1.42,1237 0.976,1238 0.879,1239 1.344,1240 1.253,1241 0.501,1242 1.287,1243 0.831,1244 0.755,1245 1.088,1246 1.165,1247 0.296,1248 1.14,1249 0.744,1250 0.66,1251 0.948,1252 0.956,1253 0.156,1254 1.006,1255 3.85,1257 5.209,1259 6.767,1261 8.416,1263 10.11,1265 2.047,1267 37.782,1271 3.12,1272 3.361,1275 0.196,1277 -5.204,1280 25.583,1281 74.681,1282 137.458,1283 188.213,1284 200.968,1285 202.968,1286 202.968,1287 61.675,1288 6.579,1289 46.17,1290 54.55,1291 12,1292 12.326,1293 3.17,1294 2.585,1295 42.019,1296 67,1297 84,1298 0.315,1299 160.599,1300 289.82,1301 383.621,1302 5207,1303 7.1,1304 16.38,1305 0.745,1306 0.601,1307 14.13,1308 13.227,1309 10.243,1310 0.445,1311 0.392,1312 7.384,1313 9.041,1314 7.091,1315 5.859,1316 9.92,1317 9.016,1318 10.274,1319 0.302,1320 0.225,1321 10.083,1322 7.635,1323 7.681,1324 0.187,1325 0.131,1326 6.19,1327 5.36,1328 5.121,1329 0.111,1330 0.079,1331 5.466,1332 3.65,1333 4.515,1334 0.073,1335 0.047,1336 4.737,1337 2.939,1338 0.479,1339 73.182,1340 0.266,1341 21.339,1342 0.911,1343 114,1344 518.998,1345 182.211,1346 436.603,1347 547.97,1348 396,1349 132,1350 339.476,1351 193.549,1352 358.789,1353 544,1354 332,1355 6.86} {0 CHEMBL203013,1 1.408,2 8.6,3 2.336,4 5.455,5 79.933,6 6.359,7 0.261,8 3.863,9 4,10 3.324,11 3.364,12 4.705,13 3.323,14 4.477,15 4.684,16 3.633,17 3.757,18 5.257,19 3.682,20 4.723,21 4.979,22 3.677,23 3.879,24 5.48,25 3.768,26 4.755,27 5.033,28 3.539,29 3.851,30 5.471,31 3.712,32 4.594,33 4.863,34 3.328,35 3.737,36 5.319,37 3.57,38 4.492,39 4.779,40 3.21,41 3.588,42 5.149,43 3.415,44 4.341,45 4.615,46 2.964,47 3.382,48 5.036,49 3.215,50 4.216,51 4.512,52 2.772,53 3.197,54 4.832,55 3.021,56 0.046,57 0.652,58 10.848,59 4.09,60 5.151,61 6.051,62 0.213,63 1.058,64 20.583,65 6.6,66 14.282,67 10.157,68 0.321,69 1.249,70 26.313,71 8.056,72 22.132,73 12.768,74 0.293,75 1.211,76 27.025,77 8.4,78 23.715,79 13.191,80 0.28,81 1.058,82 22.783,83 7.729,84 20.509,85 11.851,86 0.135,87 0.905,88 20.239,89 7.222,90 13.772,91 10.96,92 0.196,93 0.741,94 17.802,95 5.763,96 16.17,97 8.7,98 0.262,99 0.613,100 15.805,101 4.991,102 15.108,103 7.504,104 2,105 33,106 0.251,107 0.567,108 0.822,109 0.847,110 0.864,111 0.864,112 3.058,113 1.026,114 -3.55,115 -3.53,116 -3.36,119 37.2,120 1,121 3,122 1,125 4,127 2,140 2,141 1,144 1,145 1,169 6,171 1,172 6,178 2,181 1,182 6,184 1,186 2,189 1,193 3,197 1,199 2,202 1,203 2,206 1,208 1,211 2,215 3,220 1,222 4,226 2,233 3,237 2,240 1,244 3,256 3,259 472,260 13.878,261 13.878,262 13.878,263 13.878,264 13.878,265 13.179,266 21.518,267 8.119,268 14.21,269 11.382,270 11.382,271 11.382,272 11.382,273 11.382,274 10.264,275 32.409,276 3.878,277 11.938,278 4.019,279 2.243,280 0.808,281 0.669,282 0.576,283 0.576,284 3.75,287 1,288 1,289 1,290 391,291 2.55,292 33.421,294 29.142,295 81.736,298 117.085,302 1.44,303 12.709,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 42.5,315 172,316 4.47,317 3.525,318 6.922,319 4.222,320 3.277,321 4.008,322 1.151,323 11.66,324 3.1,325 3.805,326 2.885,327 5.79,328 3.653,329 2.666,330 3.051,331 0.8,332 7.844,333 2.634,334 3.654,335 2.685,336 5.493,337 3.515,338 2.552,339 2.66,340 0.4,341 7.391,342 2.45,343 3.418,344 2.492,345 5.26,346 3.175,347 2.203,348 2.585,350 6.603,351 2.136,352 2.982,353 2.075,354 5.07,355 2.872,356 1.905,357 2.045,359 5.779,360 1.839,361 2.798,362 1.813,363 4.529,364 2.515,365 1.562,366 1.847,368 4.315,369 1.484,370 2.314,371 1.767,372 3.736,373 2.122,374 1.254,375 1.307,377 2.778,378 1.08,379 2.255,380 1.371,381 3.529,382 2.054,383 1.131,384 1.238,386 2.655,387 1.039,388 1.717,389 0.804,390 3.216,391 1.527,392 0.553,393 0.626,395 1.393,396 0.537,397 1.253,398 0.475,399 2.85,400 1.122,401 0.183,402 0.193,404 0.453,405 0.17,406 0.82,407 -0.071,408 2.467,409 0.692,410 -0.265,411 -0.273,413 -0.621,414 -0.253,415 0.683,416 -0.218,417 2.316,418 0.503,419 -0.448,420 -0.487,422 -1.115,423 -0.425,424 0.517,425 -0.513,426 2.231,427 0.13,428 -0.828,429 -0.888,431 -2.013,432 -0.772,433 0.241,434 -0.771,435 2.152,436 0.055,437 -0.885,438 -1,440 -2.595,441 -0.84,442 0.021,443 -0.875,444 2,446 -1,447 -1.106,449 -3,450 -1,451 9.533,452 0.477,453 0.448,454 0.022,455 20.25,456 1.013,457 6.5,458 0.325,459 13.75,460 0.688,461 18.694,462 0.935,463 22.867,464 0.532,465 10.962,466 0.548,467 3.403,468 0.17,469 6.407,470 0.32,471 0.052,473 0.357,479 0.922,480 1.519,481 0.918,482 1.26,483 0.891,484 1.111,485 1.408,486 1.256,487 1.077,488 1.083,489 1.176,490 1.051,491 1.113,492 1.055,493 1.027,494 0.995,495 0.978,496 0.99,497 1.316,498 0.955,499 1.021,500 0.894,501 1.304,502 0.919,503 0.874,504 0.977,505 1.146,506 1.091,507 1.198,508 1.134,509 0.654,510 1.089,511 0.879,512 1.094,513 0.884,514 1.024,515 1.509,516 0.984,517 1.163,518 1.066,519 1.547,520 1.082,521 1.617,522 0.72,523 1.021,524 0.758,525 1.364,526 0.838,527 3.5,528 0.031,529 2.056,530 1.639,531 0.867,532 0.514,533 0.247,534 0.112,535 0.085,536 0.081,537 4286,538 7354,539 2.226,540 53.5,541 4,542 12,545 1,547 6,550 1.616,551 2.143,552 3.071,553 -0.32,555 1,557 1,559 60.533,560 1.408,561 3.184,562 4.618,563 4.758,564 4.851,565 4.851,566 2.571,567 4.122,568 4.287,569 3.237,570 615.078,571 7.319,572 6191.52,574 1,576 1,577 233.329,578 1.188,579 4.278,580 0.152,581 0.004,582 0.069,583 0.055,584 0.033,585 0.026,586 0.014,587 0.009,588 0.008,589 0.008,590 0.377,591 0.67,592 1,593 0.432,594 88.295,595 0.019,596 -0.21,597 0.099,598 -0.065,599 0.029,600 0.014,601 -0.092,602 -0.105,603 -0.039,604 -0.046,605 -0.033,606 -0.042,607 0.031,608 0.013,609 -0.014,610 -0.031,611 0.098,612 -0.025,613 -0.142,614 0.027,615 -0.02,616 0.055,617 -0.088,618 0.035,619 0.011,620 0.051,621 -0.173,622 -0.105,623 -0.113,624 -0.15,625 0.075,626 -0.154,627 0.063,628 -0.096,629 0.005,630 -0.027,631 -0.167,632 -0.051,633 -0.16,634 -0.11,635 -0.244,636 -0.129,637 -0.071,638 0.13,639 -0.008,640 0.16,641 -0.104,642 0.086,643 0.838,644 2.273,645 0.8,646 15.72,647 0.988,648 1.136,649 2.322,650 5.393,651 0.63,652 3.178,653 3.526,654 3.784,655 4.094,656 4.331,657 4.443,658 4.575,659 4.718,660 4.673,661 4.691,662 5.166,663 0.582,664 273.42,665 3.178,666 4.727,667 5.602,668 6.5,669 7.392,670 8.297,671 9.197,672 10.106,673 11.011,674 11.922,675 7,677 1,681 1,685 1,688 2,689 1,693 3,695 6,709 1,714 43,716 6,718 23,720 46,721 16,722 5,730 4,731 7,736 1,740 5,741 1,743 5,745 5,746 11,747 1,760 1,761 1,764 23,765 4,766 1,767 4,773 3,777 0.5,778 1,786 1,790 1,792 1,793 2,796 2,814 1,818 1,819 2,823 1,827 20,833 7,834 1,835 1,837 3,838 1,847 2.3,851 1,854 9.333,855 7.733,856 4.278,857 2.874,858 1.238,859 1.175,860 0.982,861 3.254,862 8.308,863 3.296,864 3.795,865 4.252,866 4.774,867 5.265,868 5.476,869 5.759,870 6.041,871 6.051,872 6.146,873 0.833,874 30,875 7.472,877 3.249,878 7.325,879 15.21,881 13.555,883 1.825,884 36.5,885 0.004,888 258.964,889 57.048,890 37.921,892 11,895 57.048,896 269.964,897 37.921,898 8.825,899 21,900 36.963,901 27.785,902 9.067,903 2.328,904 258.964,906 258.964,907 94.968,908 11,911 188.338,912 70.627,913 11,915 50.592,916 27.59,917 16.786,919 258.964,920 48.92,921 57.048,924 258.964,925 29.27,926 30.902,927 18.011,928 27.785,929 258.964,930 48.92,931 57.048,933 0.587,934 0.325,935 0.181,936 0.098,937 19,938 7,939 0.087,940 4,941 2,942 1.25,943 3.436,944 156.984,945 0.25,946 16,947 84.439,951 12.755,952 5.102,953 2.635,955 48.92,956 4.394,957 4.878,961 3.684,963 18.011,964 364.932,965 26,975 42.469,976 48.856,977 0.259,978 0.587,979 0.851,980 0.877,981 0.894,982 0.894,983 4.58,984 1.131,985 5.587,986 2.778,987 4.205,988 4.477,989 1.595,990 6.425,991 4.114,992 5.741,993 0.553,994 7.159,995 2.655,996 3.892,997 4.27,998 0.325,999 7.427,1000 3.794,1001 7.034,1002 0.183,1003 8.832,1004 1.393,1005 5.838,1006 6.483,1007 1.613,1008 10.519,1009 5.664,1010 8.355,1011 -0.265,1012 10.567,1013 0.453,1014 6.312,1015 7.066,1016 0.268,1017 12.374,1018 6.114,1019 9.711,1020 -0.448,1021 12.341,1022 -0.621,1023 7.769,1024 8.834,1025 1.779,1026 15.029,1027 7.503,1028 11.09,1029 -0.828,1030 14.145,1031 -1.115,1032 8.613,1033 9.797,1034 0.188,1035 17.249,1036 8.304,1037 12.489,1038 -0.885,1039 15.972,1040 -2.013,1041 9.881,1042 11.379,1043 1.991,1044 19.766,1045 9.511,1046 3.277,1047 -1,1048 17.818,1049 -2.595,1050 10.903,1051 12.538,1052 0.125,1053 22.134,1054 10.478,1055 2.666,1056 11.66,1057 19.679,1058 -3,1059 12.102,1060 14.03,1061 2.225,1062 24.608,1063 11.617,1064 2.552,1065 7.844,1066 21.553,1067 4.008,1068 13.208,1069 15.294,1070 0.082,1071 27.032,1072 12.663,1073 2.203,1074 7.391,1075 23.438,1076 3.051,1077 14.386,1078 16.74,1079 2.473,1080 29.493,1081 13.781,1082 1.905,1083 6.603,1084 25.332,1085 2.66,1086 15.531,1087 18.06,1088 0.054,1089 31.937,1090 14.865,1091 1.562,1092 5.779,1093 27.233,1094 2.585,1095 16.706,1096 19.48,1097 2.73,1098 34.394,1099 15.98,1100 1.254,1101 4.315,1102 29.14,1103 2.045,1104 17.87,1105 20.831,1106 0.035,1107 36.845,1108 17.083,1109 3947,1110 5247,1111 16.008,1112 27.086,1113 34.724,1114 35.37,1115 35.438,1116 34.508,1117 34.573,1118 39.122,1119 4.702,1120 101.744,1121 32.939,1122 5.47,1123 5.525,1124 6.488,1125 5.311,1126 5.277,1127 7.008,1128 2.302,1129 18.759,1130 5.057,1131 5.278,1132 1.51,1133 1.538,1134 1.541,1135 1.5,1136 1.503,1137 1.701,1138 0.204,1139 4.424,1140 1.432,1141 4.047,1142 4.095,1143 3.988,1144 3.92,1145 4.893,1146 3.931,1147 3.899,1148 3.949,1149 3.77,1150 3.79,1151 4.55,1152 3.777,1153 3.697,1154 3.757,1155 3.591,1156 3.545,1157 4.366,1158 3.548,1159 3.391,1160 3.454,1161 3.236,1162 3.244,1163 4.118,1164 3.23,1165 3.234,1166 3.314,1167 3.052,1168 3.011,1169 3.886,1170 3.011,1171 3.046,1172 3.128,1173 2.87,1174 2.791,1175 3.795,1176 2.795,1177 2.798,1178 2.892,1179 2.648,1180 2.582,1181 3.772,1182 2.577,1183 2.744,1184 2.851,1185 2.489,1186 2.525,1187 3.209,1188 2.509,1189 0.194,1190 0.153,1191 0.301,1192 0.184,1193 0.142,1194 4.47,1195 0.174,1196 3.525,1197 0.05,1198 6.922,1199 0.507,1200 4.222,1201 0.135,1202 3.277,1203 4.008,1204 1.151,1205 11.66,1206 3.1,1207 1.853,1208 1.821,1209 1.983,1210 2.011,1211 1.318,1212 2.004,1213 1.778,1214 1.711,1215 1.955,1216 1.956,1217 1.149,1218 1.96,1219 1.461,1220 1.414,1221 1.713,1222 1.682,1223 1.041,1224 1.69,1225 1.359,1226 1.291,1227 1.646,1228 1.55,1229 0.918,1230 1.589,1231 1.153,1232 1.064,1233 1.513,1234 1.38,1235 0.825,1236 1.429,1237 1.134,1238 1.057,1239 1.453,1240 1.376,1241 0.669,1242 1.41,1243 0.989,1244 0.891,1245 1.318,1246 1.259,1247 0.52,1248 1.28,1249 0.777,1250 0.705,1251 1.155,1252 1.023,1253 0.355,1254 1.063,1255 3.85,1256 1.946,1257 5.187,1258 3.932,1259 6.725,1260 5.861,1261 8.357,1262 7.769,1263 10.039,1265 2.284,1271 7.52,1272 3.515,1273 5.773,1275 1.941,1276 2.51,1280 25.047,1281 60.533,1282 136.891,1283 198.574,1284 204.574,1285 208.574,1286 208.574,1287 23.262,1288 7.07,1289 37.39,1290 37.39,1291 20,1292 12.438,1293 2.807,1294 2,1295 26.278,1296 61,1297 65,1298 0.214,1299 150.271,1300 258.89,1301 358.422,1302 10325,1304 13.527,1305 0.676,1306 0.607,1307 13.527,1308 12.139,1309 9.81,1310 0.427,1311 0.342,1312 7.764,1313 9.452,1314 7.578,1315 6.217,1316 9.81,1317 7.866,1318 8.959,1319 0.271,1320 0.197,1321 8.959,1322 6.516,1323 7.325,1324 0.17,1325 0.103,1326 7.325,1327 4.413,1328 6.356,1329 0.108,1330 0.056,1331 6.356,1332 3.298,1333 5.164,1334 0.069,1335 0.031,1336 5.164,1337 2.301,1338 0.331,1339 61.266,1340 0.25,1341 19.979,1342 0.6,1343 112,1344 245.359,1345 121.456,1346 234.161,1347 331.59,1348 224,1349 135,1350 249.101,1351 145.927,1352 252.004,1353 376.4,1354 238,1355 6.444} {0 CHEMBL2031737,1 1.52,2 12.357,3 4.671,4 21.814,5 107.727,6 7.569,7 0.516,8 4.015,9 4.119,10 3.601,11 3.578,12 5.137,13 3.557,14 4.572,15 4.728,16 3.972,17 3.989,18 5.738,19 3.953,20 4.845,21 5.052,22 3.968,23 4.1,24 5.902,25 4.027,26 4.889,27 5.107,28 3.835,29 4.048,30 5.981,31 3.946,32 4.773,33 5.026,34 3.708,35 3.914,36 5.755,37 3.805,38 4.598,39 4.809,40 3.737,41 3.829,42 5.653,43 3.754,44 4.553,45 4.745,46 3.691,47 3.787,48 5.809,49 3.717,50 4.448,51 4.649,52 3.549,53 3.7,54 5.513,55 3.618,56 0.12,57 0.692,58 9.775,59 4.801,60 8.868,61 6.035,62 0.229,63 1.159,64 19.046,65 8.139,66 45.202,67 10.528,68 0.329,69 1.437,70 27.692,71 10.522,72 39.897,73 13.943,74 0.479,75 1.397,76 30.503,77 11.468,78 74.075,79 14.999,80 0.358,81 1.243,82 28.133,83 10.427,84 64.34,85 14.273,86 0.37,87 1.07,88 22.22,89 8.681,90 42.353,91 11.564,92 0.468,93 1.029,94 21.026,95 7.932,96 82.881,97 10.301,98 0.205,99 0.946,100 18.497,101 7.3,102 31.871,103 9.593,104 18,105 44,106 0.253,107 0.576,108 0.749,109 0.849,110 0.858,111 0.858,112 3.374,113 0.926,114 -4.78,115 -4.69,116 -4.41,119 44,120 1,121 3,125 2,127 1,140 8,141 3,142 1,150 2,155 1,164 2,169 10,171 1,172 12,178 12,182 12,189 12,192 1,193 11,199 14,203 4,211 11,214 2,215 7,222 9,225 2,226 9,233 6,237 8,244 8,248 1,249 6,256 8,259 1224,260 18.809,261 18.809,262 18.809,263 18.809,264 18.809,265 16.643,266 17.729,267 10.865,268 18.96,269 15.261,270 15.261,271 15.261,272 15.261,273 15.261,274 11.885,275 19.66,276 5.134,277 15.474,278 4.124,279 2.186,280 1.15,281 0.55,282 0.495,283 0.495,284 4.068,288 1,289 1,290 751,291 3.464,294 151.156,295 173.839,298 120.668,302 2.24,303 32.834,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61,315 346,316 4.522,317 3.779,318 6.444,319 4.093,320 3.084,321 4.45,322 2.612,323 9.958,324 3.111,325 4.31,326 3.582,327 6.206,328 3.893,329 2.891,330 3.995,331 0.8,332 9.257,333 2.901,334 4.126,335 3.112,336 6.035,337 3.754,338 2.81,339 3.656,341 8.592,342 2.65,343 3.823,344 3.005,345 5.91,346 3.654,347 2.673,348 3.051,350 8.135,351 2.611,352 3.597,353 2.385,354 5.245,355 3.187,356 2.19,357 2.822,359 6.502,360 2.183,361 3.325,362 2.275,363 5.062,364 2.921,365 1.922,366 2.598,368 5.836,369 1.918,370 3.025,371 1.831,372 4.424,373 2.524,374 1.524,375 2.277,377 4.313,378 1.524,379 2.955,380 1.678,381 4.128,382 2.367,383 1.394,384 2.089,386 3.646,387 1.354,388 2.5,389 1.543,390 3.922,391 2.297,392 1.296,393 1.5,395 3.107,396 1.293,397 2.476,398 1.503,399 3.553,400 2.107,401 1.122,402 1.432,404 2.426,405 1.104,406 2.413,407 1.189,408 3.426,409 2,410 1,411 1.275,413 2.275,414 1,415 2.124,416 1,417 3.414,418 1.864,419 0.819,420 1.123,422 2.061,423 0.85,424 1.888,425 1,426 3.145,427 1.453,428 0.47,429 0.553,431 1.137,432 0.461,433 1.563,434 0.591,435 3.093,436 1.376,437 0.364,438 0.503,440 0.962,441 0.368,442 1,443 0.445,444 2.49,445 0.516,446 -0.47,447 -0.511,449 -1.144,450 -0.461,451 13.133,452 0.469,453 0.75,454 0.027,455 36.25,456 1.295,457 18.5,458 0.661,459 17.75,460 0.634,461 22.553,462 0.805,463 30.067,464 0.601,465 26.755,466 0.956,467 6.919,468 0.247,469 6.589,470 0.235,471 0.114,473 0.365,479 0.464,480 1.149,481 0.723,482 1.039,483 0.472,484 0.953,485 0.649,486 1.126,487 0.816,488 1.043,489 0.393,490 0.965,491 0.901,492 0.98,493 0.982,494 1.009,495 0.533,496 0.997,497 1.055,498 0.974,499 1.066,500 1.041,501 1.044,502 1.061,503 0.806,504 0.85,505 0.806,506 0.866,507 0.893,508 0.846,509 0.715,510 0.957,511 0.805,512 0.967,513 0.554,514 0.921,515 0.916,516 1.002,517 0.988,518 0.986,519 0.444,520 1.001,521 0.893,522 1.102,523 1.002,524 1.113,525 0.723,526 1.084,527 6,528 0.158,529 3.778,530 2.174,531 1.241,532 0.788,533 0.657,534 0.468,535 0.214,536 0.177,537 10907,538 29321,539 2.094,540 44,542 13,546 2,547 7,550 1.705,551 1.953,552 3.583,553 -0.778,559 75.978,560 1.52,561 3.458,562 4.494,563 5.094,564 5.149,565 5.149,566 3.071,567 4.155,568 4.774,569 3.793,570 1433.91,571 8.277,572 19550.5,574 1,577 282.193,578 1.432,579 4.736,580 0.194,581 0.009,582 0.086,583 0.052,584 0.035,585 0.025,586 0.02,587 0.015,588 0.008,589 0.008,590 0.451,591 0.17,592 1,593 0.744,594 142.949,595 0.168,596 0.001,597 0.069,598 0.013,599 0.018,600 0.011,601 0.078,602 -0.035,603 0.052,604 -0.028,605 0.181,606 0.006,607 -0.082,608 0.047,609 -0.04,610 -0.026,611 0.077,612 -0.016,613 -0.074,614 -0.037,615 -0.078,616 -0.048,617 -0.039,618 -0.064,619 0.003,620 0.063,621 0.195,622 0.131,623 -0.03,624 0.188,625 0.153,626 -0.003,627 0.16,628 0.04,629 0.064,630 0.089,631 0.104,632 -0.02,633 -0.02,634 0.005,635 0.279,636 -0.025,637 -0.064,638 -0.109,639 -0.062,640 -0.113,641 0.009,642 -0.09,643 2.476,644 5.707,645 0.714,646 32.102,647 1.007,648 1.12,649 3.551,650 12.609,651 0.669,652 3.466,653 3.807,654 4.078,655 4.29,656 4.443,657 4.564,658 4.736,659 4.852,660 4.898,661 5.017,662 7.364,663 0.643,664 378.46,665 3.466,666 5.017,667 5.872,668 6.746,669 7.614,670 8.491,671 9.364,672 10.243,673 11.119,674 12,675 4,678 1,686 1,687 2,688 8,691 1,693 4,695 16,700 1,708 1,714 50,716 19,717 2,718 31,720 53,721 22,722 14,723 5,724 7,725 1,730 4,731 5,736 1,740 3,743 4,745 15,746 7,750 3,752 1,755 3,759 1,761 1,763 1,764 22,765 5,767 6,773 2,777 0.75,778 4,789 1,792 2,793 2,796 1,815 1,819 3,823 1,827 28,833 5,837 1,838 1,847 8,850 1,852 1,853 2,854 14.333,855 9.317,856 6.056,857 3.237,858 3.22,859 1.418,860 0.983,861 5.186,862 10.916,863 3.761,864 4.379,865 4.96,866 5.523,867 6.037,868 6.422,869 6.894,870 7.216,871 7.409,872 7.807,873 1,874 42,875 10.399,877 4.536,878 7.893,879 19.817,881 16.699,883 2.393,884 67,886 1,887 1,888 258.964,889 123.57,890 8.794,892 85.399,895 123.57,896 344.363,897 8.794,898 14.495,899 11.815,900 75.81,901 30.278,902 24.333,903 10.285,904 258.964,905 50.747,906 258.964,907 132.364,908 85.399,911 176.567,912 117.05,913 50.747,915 23.765,916 102.929,917 5.67,919 258.964,920 94.194,921 123.57,924 258.964,925 38.934,926 93.43,928 85.399,929 258.964,930 94.194,931 123.57,933 0.592,934 0.347,935 0.172,936 0.083,937 22,938 10,939 0.113,940 6,941 1,942 1.1,943 4.074,944 239.052,945 0.1,946 20,947 128.606,951 18.702,952 7.765,953 3.978,954 1.668,955 88.524,956 13.054,959 5.933,961 1.867,964 476.727,965 42,967 -0.476,970 34.233,974 -0.162,975 50.349,976 55.986,977 0.269,978 0.613,979 0.796,980 0.903,981 0.912,982 0.912,983 5.004,984 1.394,985 5.866,986 4.313,987 4.489,988 5.066,989 2.577,990 6.671,991 4.467,992 6.219,993 1.296,994 7.43,995 3.646,996 4.111,997 4.966,998 2.396,999 7.545,1000 4.074,1001 7.534,1002 1.122,1003 9.088,1004 3.107,1005 6.089,1006 7.298,1007 4.162,1008 10.605,1009 6.044,1010 8.886,1011 1,1012 10.801,1013 2.426,1014 6.524,1015 8.028,1016 4.51,1017 12.272,1018 6.47,1019 10.268,1020 0.819,1021 12.546,1022 2.275,1023 7.967,1024 9.846,1025 5.949,1026 14.828,1027 7.909,1028 11.671,1029 0.47,1030 14.314,1031 2.061,1032 8.755,1033 10.951,1034 6.556,1035 16.818,1036 8.694,1037 13.09,1038 0.364,1039 16.097,1040 1.137,1041 9.988,1042 12.567,1043 7.794,1044 19.192,1045 9.926,1046 3.084,1047 -0.47,1048 17.892,1049 0.962,1050 10.936,1051 13.855,1052 8.548,1053 21.326,1054 10.878,1055 2.891,1056 9.958,1057 19.694,1058 -1.144,1059 12.082,1060 15.385,1061 9.67,1062 23.632,1063 12.026,1064 2.81,1065 9.257,1066 21.502,1067 4.45,1068 13.105,1069 16.765,1070 10.509,1071 25.833,1072 13.056,1073 2.673,1074 8.592,1075 23.316,1076 3.995,1077 14.217,1078 18.259,1079 11.563,1080 28.113,1081 14.173,1082 2.19,1083 8.135,1084 25.133,1085 3.656,1086 15.275,1087 19.684,1088 12.452,1089 30.348,1090 15.242,1091 1.922,1092 6.502,1093 26.954,1094 3.051,1095 16.374,1096 21.165,1097 13.468,1098 32.62,1099 16.35,1100 1.524,1101 5.836,1102 28.777,1103 2.822,1104 17.452,1105 22.616,1106 14.386,1107 34.874,1108 17.439,1109 10342,1110 17256,1111 20.69,1112 33.443,1113 47.357,1114 49.44,1115 48.528,1116 47.161,1117 47.123,1118 62.65,1119 6.825,1120 136.415,1121 46.656,1122 5.471,1123 5.779,1124 5.976,1125 5.123,1126 5.084,1127 7.45,1128 4.612,1129 16.809,1130 5.111,1131 14.188,1132 1.528,1133 1.595,1134 1.565,1135 1.521,1136 1.52,1137 2.021,1138 0.22,1139 4.4,1140 1.505,1141 4.129,1142 4.137,1143 4.094,1144 4.038,1145 7.815,1146 4.049,1147 3.973,1148 3.994,1149 3.938,1150 3.852,1151 7.427,1152 3.862,1153 3.877,1154 3.941,1155 3.757,1156 3.725,1157 6.999,1158 3.723,1159 3.604,1160 3.619,1161 3.577,1162 3.427,1163 5.117,1164 3.438,1165 3.442,1166 3.482,1167 3.355,1168 3.159,1169 4.66,1170 3.204,1171 3.2,1172 3.273,1173 3.078,1174 2.989,1175 4.387,1176 2.995,1177 3.169,1178 3.24,1179 2.908,1180 2.971,1181 4.298,1182 2.954,1183 2.99,1184 3.028,1185 2.875,1186 2.806,1187 3.831,1188 2.833,1189 0.146,1190 0.122,1191 0.208,1192 0.132,1193 0.099,1194 4.522,1195 0.144,1196 3.779,1197 0.084,1198 6.444,1199 0.321,1200 4.093,1201 0.1,1202 3.084,1203 4.45,1204 2.612,1205 9.958,1206 3.111,1207 1.983,1208 1.968,1209 2.058,1210 2.098,1211 1.251,1212 2.074,1213 1.864,1214 1.843,1215 1.957,1216 1.988,1217 1.211,1218 1.97,1219 1.703,1220 1.649,1221 1.92,1222 1.905,1223 1.167,1224 1.911,1225 1.615,1226 1.554,1227 1.872,1228 1.785,1229 1.056,1230 1.822,1231 1.438,1232 1.382,1233 1.685,1234 1.67,1235 0.928,1236 1.656,1237 1.284,1238 1.276,1239 1.382,1240 1.645,1241 0.503,1242 1.566,1243 1.09,1244 1.02,1245 1.318,1246 1.309,1247 0.419,1248 1.337,1249 0.969,1250 0.957,1251 1.246,1252 1.25,1253 0.315,1254 1.2,1255 4.143,1257 5.476,1258 3.045,1259 6.987,1260 5.352,1261 8.575,1262 7.38,1263 10.202,1265 2.266,1271 5.499,1275 0.635,1276 2.483,1280 32.17,1281 75.978,1282 172.89,1283 224.683,1284 254.683,1285 257.438,1286 257.438,1287 54.835,1288 7.696,1289 79.27,1290 79.27,1291 22,1292 12.536,1293 4.322,1294 3.585,1295 42.701,1296 125,1297 112,1298 0.169,1299 195.455,1300 340.42,1301 468.671,1302 24353,1304 19.673,1305 0.703,1306 0.563,1307 19.673,1308 15.759,1309 13.508,1310 0.436,1311 0.309,1312 9.452,1313 12.968,1314 9.245,1315 7.625,1316 13.508,1317 9.568,1318 12.454,1319 0.283,1320 0.168,1321 12.454,1322 7.376,1323 10.684,1324 0.184,1325 0.095,1326 10.684,1327 5.506,1328 8.451,1329 0.117,1330 0.053,1331 8.451,1332 3.843,1333 6.204,1334 0.074,1335 0.028,1336 6.204,1337 2.334,1338 0.271,1339 84.916,1340 0.22,1341 27.212,1342 0.445,1343 150,1344 462.232,1345 164.902,1346 440.543,1347 592.52,1348 408,1349 177,1350 439.739,1351 192.128,1352 436.777,1353 635.18,1354 411,1355 5.281} {0 CHEMBL2059590,1 1.46,2 14.059,3 2.027,4 4.11,5 133.913,6 6.482,7 0.263,8 4.359,9 4.504,10 3.819,11 3.837,12 5.278,13 3.797,14 4.994,15 5.211,16 4.218,17 4.282,18 5.858,19 4.219,20 5.321,21 5.576,22 4.274,23 4.492,24 6.156,25 4.385,26 5.411,27 5.676,28 4.201,29 4.517,30 6.231,31 4.366,32 5.397,33 5.692,34 4.089,35 4.402,36 6.206,37 4.249,38 5.236,39 5.511,40 4.096,41 4.328,42 6.102,43 4.211,44 5.22,45 5.465,46 3.994,47 4.37,48 6.057,49 4.223,50 5.286,51 5.583,52 3.939,53 4.348,54 5.947,55 4.164,56 0.079,57 1.108,58 17.656,59 6.462,60 8.909,61 9.797,62 0.357,63 1.846,64 34.338,65 10.253,66 28.716,67 16.865,68 0.655,69 2.29,70 48.154,71 14.333,72 52.857,73 22.906,74 0.53,75 2.331,76 52.051,77 17.147,78 52.63,79 26.461,80 0.625,81 2.136,82 51.988,83 15.367,84 71.733,85 24.628,86 0.579,87 1.945,88 44.371,89 13.023,90 58.605,91 20.775,92 0.536,93 1.966,94 43.283,95 14.338,96 59.716,97 21.622,98 0.454,99 1.979,100 45.621,101 15.234,102 42.663,103 23.832,104 30,105 55,106 0.229,107 0.489,108 0.699,109 0.784,110 0.815,111 0.815,112 3.56,113 1.02,114 -3.26,115 -3.25,116 -3.11,119 36.1,120 3,121 4,125 6,127 4,140 4,141 1,144 1,150 1,156 2,164 1,169 5,171 1,172 11,174 1,176 2,178 8,181 3,182 7,184 1,186 1,189 4,192 1,193 6,195 2,197 3,199 4,202 1,203 9,208 2,211 6,214 2,215 7,220 3,222 4,225 1,226 3,229 1,233 6,236 2,237 8,244 8,248 1,249 2,256 4,259 2112,260 22.878,261 22.878,262 22.878,263 22.878,264 22.878,265 21.478,266 34.535,267 13.213,268 23.323,269 18.749,270 18.749,271 18.749,272 18.749,273 18.749,274 16.496,275 51.515,276 6.25,277 19.46,278 4.71,279 3.055,280 1.712,281 1.17,282 0.976,283 0.976,284 4.265,289 1,290 1046,291 4.123,294 162.849,295 311.128,296 112.764,298 147.312,302 2.529,303 29.464,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 73,315 478,316 4.694,317 3.67,318 6.901,319 4.248,320 3.276,321 4.642,322 1.94,323 11.574,324 3.185,325 4.127,326 3.63,327 6.562,328 4.071,329 3.12,330 3.243,331 1.058,332 10.428,333 2.969,334 3.91,335 3.333,336 6.077,337 3.728,338 2.783,339 3.103,340 0.8,341 8.54,342 2.629,343 3.874,344 3.145,345 5.929,346 3.58,347 2.607,348 3.046,349 0.8,350 8.227,351 2.526,352 3.543,353 2.838,354 5.489,355 3.31,356 2.369,357 2.859,358 0.555,359 7.032,360 2.234,361 3.433,362 2.431,363 5.303,364 3.244,365 2.28,366 2.455,368 6.769,369 2.186,370 3.219,371 2.343,372 5.216,373 3.036,374 2.055,375 2.316,377 6.191,378 2.006,379 2.89,380 2.169,381 5.115,382 2.861,383 1.879,384 1.978,386 5.946,387 1.844,388 2.879,389 1.96,390 4.416,391 2.453,392 1.459,393 1.879,395 3.895,396 1.446,397 2.782,398 1.754,399 4.099,400 2.405,401 1.418,402 1.863,404 3.497,405 1.396,406 2.578,407 1.489,408 3.93,409 2.376,410 1.375,411 1.526,413 3.198,414 1.368,415 2.441,416 1.425,417 3.785,418 2.198,419 1.213,420 1.389,422 2.927,423 1.183,424 2.311,425 1.146,426 3.578,427 1.993,428 1.011,429 1.286,431 2.593,432 0.989,433 2,434 1.108,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 1.966,443 0.766,444 3.282,445 1.578,446 0.6,447 0.764,449 1.471,450 0.585,451 16.067,452 0.473,453 0.942,454 0.028,455 34,456 1,457 11,458 0.324,459 23,460 0.676,461 40.241,462 1.184,463 39.133,464 0.544,465 25.128,466 0.739,467 6.11,468 0.18,469 10.292,470 0.303,471 0.135,473 0.38,479 0.708,480 1.618,481 0.901,482 1.313,483 0.532,484 1.154,485 0.9,486 1.336,487 0.947,488 1.062,489 0.477,490 1.002,491 1.151,492 0.922,493 1.097,494 0.927,495 0.826,496 0.98,497 0.889,498 1.146,499 1.042,500 1.174,501 0.963,502 1.138,503 1.12,504 0.953,505 0.942,506 0.903,507 1.196,508 0.902,509 1.212,510 0.875,511 0.998,512 0.868,513 1.135,514 0.892,515 1.33,516 1.07,517 1.268,518 1.158,519 1.536,520 1.211,521 0.63,522 1.023,523 0.906,524 1.027,525 0.599,526 1.009,527 7,528 0.27,529 4.222,530 2.833,531 1.972,532 1.246,533 0.767,534 0.412,535 0.403,536 0.34,537 18682,538 39446,539 2.109,540 52.8,542 20,545 1,546 3,547 10,548 4,550 1.756,551 1.962,552 3.716,553 -0.363,559 105.092,560 1.46,561 3.115,562 4.458,563 5,564 5.194,565 5.194,566 3.228,567 4.536,568 5.056,569 3.98,570 2232.64,571 8.843,572 35196.2,577 444.235,578 1.449,579 5.014,580 0.184,581 0.008,582 0.077,583 0.051,584 0.04,585 0.028,586 0.017,587 0.01,588 0.011,589 0.01,590 0.436,591 0.33,592 0.75,593 0.797,594 184.765,595 0.06,596 -0.255,597 0.087,598 -0.097,599 0.003,600 -0.02,601 0.043,602 -0.124,603 0.062,604 -0.011,605 0.095,606 0.024,607 -0.09,608 0.179,609 -0.085,610 0.056,611 0.001,613 0.026,614 -0.142,615 -0.067,616 -0.155,617 -0.004,618 -0.129,619 -0.038,620 -0.031,621 0.052,622 0.04,623 -0.047,624 0.055,625 -0.071,626 0.132,627 0.013,628 0.09,629 -0.02,630 0.071,631 -0.19,632 -0.029,633 -0.268,634 -0.124,635 -0.205,636 -0.201,637 0.071,638 -0.086,639 0.04,640 -0.031,641 0.009,642 -0.007,643 1.711,644 6.25,645 0.676,646 41.661,647 0.992,648 1.14,649 2.029,650 4.116,651 0.627,652 3.664,653 4.025,654 4.331,655 4.625,656 4.852,657 4.984,658 5.037,659 5.136,660 5.268,661 5.455,662 8.367,663 0.583,664 466.7,665 3.664,666 5.231,667 6.103,668 7,669 7.89,670 8.793,671 9.689,672 10.595,673 11.495,674 12.402,675 8.3,678 2,682 2,683 1,685 1,687 2,688 4,689 1,693 1,694 1,695 10,702 1,714 72,716 12,717 1,718 38,720 76,721 26,722 7,723 2,724 4,725 1,730 5,731 7,736 3,740 7,743 8,745 9,746 17,750 2,755 2,759 2,764 38,765 7,766 1,767 8,773 6,777 0.6,778 2,784 1,789 1,792 2,793 3,794 1,796 1,806 1,815 2,819 3,823 3,827 34,833 10,834 1,837 4,838 3,847 2.8,850 2,854 17.333,855 13.5,856 7.306,857 4.823,858 2.023,859 1.236,860 0.964,861 6.968,862 10.582,863 3.829,864 4.36,865 4.897,866 5.457,867 5.917,868 6.238,869 6.502,870 6.784,871 6.736,872 7.002,873 1,874 56,875 12.724,877 5.515,878 7.564,879 25.246,881 21.953,883 2.064,884 70.167,888 435.531,889 104.036,890 45.823,892 50.29,895 104.036,896 485.821,897 45.823,898 26.476,899 43.907,900 37.905,901 76.362,902 13.355,903 2.144,904 435.531,906 435.531,907 149.859,908 50.29,911 270.735,912 215.085,915 81.165,916 52.031,917 16.663,919 435.531,920 96.113,921 104.036,924 435.531,925 39.656,926 75.53,927 18.011,928 66.953,929 435.531,930 96.113,931 104.036,933 0.592,934 0.349,935 0.19,936 0.104,937 28,938 13,939 0.079,940 6,941 3,942 1.217,943 4.528,944 323.541,945 0.261,946 22,947 160.974,951 23.778,952 9.964,953 4.917,954 1.945,955 94.337,956 8.016,957 4.684,961 0.545,962 1.951,963 18.011,964 635.68,965 45,970 24.812,974 0.141,975 71.403,976 82.052,977 0.237,978 0.505,979 0.722,980 0.81,981 0.842,982 0.842,983 5.121,984 1.879,985 6.107,986 6.191,987 4.71,988 5.047,989 2.472,990 6.954,991 4.638,992 6.295,993 1.459,994 7.69,995 5.946,996 4.369,997 4.902,998 1.803,999 7.919,1000 4.253,1001 7.596,1002 1.418,1003 9.372,1004 3.895,1005 6.34,1006 7.143,1007 3.13,1008 11.033,1009 6.185,1010 8.929,1011 1.375,1012 11.112,1013 3.497,1014 6.815,1015 7.902,1016 3.157,1017 12.838,1018 6.615,1019 10.3,1020 1.213,1021 12.888,1022 3.198,1023 8.271,1024 9.681,1025 4.184,1026 15.477,1027 8.035,1028 11.699,1029 1.011,1030 14.691,1031 2.927,1032 9.115,1033 10.872,1034 4.543,1035 17.636,1036 8.839,1037 13.12,1038 1,1039 16.513,1040 2.593,1041 10.375,1042 12.49,1043 5.398,1044 20.124,1045 10.066,1046 3.276,1047 0.6,1048 18.35,1049 2.275,1050 11.39,1051 13.88,1052 5.912,1053 22.435,1054 11.045,1055 3.12,1056 11.574,1057 20.198,1058 1.471,1059 12.578,1060 15.442,1061 6.674,1062 24.875,1063 12.201,1064 2.783,1065 10.428,1066 22.057,1067 4.642,1068 13.671,1069 16.917,1070 7.263,1071 27.251,1072 13.261,1073 2.607,1074 8.54,1075 23.924,1076 3.243,1077 14.836,1078 18.461,1079 7.978,1080 29.68,1081 14.395,1082 2.369,1083 8.227,1084 25.798,1085 3.103,1086 15.966,1087 19.971,1088 8.602,1089 32.086,1090 15.494,1091 2.28,1092 7.032,1093 27.678,1094 3.046,1095 17.126,1096 21.508,1097 9.292,1098 34.514,1099 16.624,1100 2.055,1101 6.769,1102 29.563,1103 2.859,1104 18.274,1105 23.033,1106 9.936,1107 36.934,1108 17.742,1109 17490,1110 25534,1111 25.372,1112 45.126,1113 58.599,1114 59.769,1115 59.878,1116 57.981,1117 57.969,1118 67.856,1119 10.308,1120 171.763,1121 56.075,1122 5.694,1123 5.67,1124 6.579,1125 5.315,1126 5.276,1127 7.642,1128 3.348,1129 18.998,1130 5.185,1131 18.115,1132 1.542,1133 1.573,1134 1.576,1135 1.526,1136 1.525,1137 1.786,1138 0.271,1139 4.52,1140 1.476,1141 4.141,1142 4.183,1143 4.109,1144 4.024,1145 7.431,1146 4.038,1147 3.997,1148 4.055,1149 3.896,1150 3.858,1151 7.427,1152 3.859,1153 3.849,1154 3.917,1155 3.744,1156 3.644,1157 4.994,1158 3.658,1159 3.59,1160 3.66,1161 3.459,1162 3.445,1163 4.464,1164 3.435,1165 3.54,1166 3.599,1167 3.439,1168 3.329,1169 4.397,1170 3.348,1171 3.476,1172 3.531,1173 3.368,1174 3.266,1175 4.316,1176 3.279,1177 3.278,1178 3.35,1179 3.126,1180 3.112,1181 4.079,1182 3.106,1183 3.235,1184 3.313,1185 3.04,1186 3.062,1187 3.961,1188 3.044,1189 0.124,1190 0.097,1191 0.182,1192 0.112,1193 0.086,1194 4.694,1195 0.122,1196 3.67,1197 0.051,1198 6.901,1199 0.305,1200 4.248,1201 0.084,1202 3.276,1203 4.642,1204 1.94,1205 11.574,1206 3.185,1207 1.946,1208 1.922,1209 2.046,1210 2.052,1211 1.421,1212 2.051,1213 1.838,1214 1.777,1215 2.024,1216 2.038,1217 1.305,1218 2.038,1219 1.771,1220 1.706,1221 1.969,1222 1.983,1223 1.255,1224 1.982,1225 1.659,1226 1.592,1227 1.893,1228 1.863,1229 1.211,1230 1.869,1231 1.604,1232 1.543,1233 1.86,1234 1.76,1235 1.053,1236 1.798,1237 1.472,1238 1.407,1239 1.722,1240 1.716,1241 0.999,1242 1.718,1243 1.36,1244 1.314,1245 1.623,1246 1.605,1247 0.825,1248 1.599,1249 1.272,1250 1.201,1251 1.513,1252 1.495,1253 0.706,1254 1.508,1255 4.344,1257 5.694,1258 3.045,1259 7.229,1260 5.533,1261 8.85,1262 7.719,1263 10.519,1265 5.851,1271 10.256,1272 3.333,1275 1.513,1276 7.119,1280 41.987,1281 105.092,1282 224.26,1283 320.95,1284 359.97,1285 373.97,1286 373.97,1287 63.268,1288 8.559,1289 73.71,1290 73.71,1291 28,1292 12.92,1293 3.7,1294 3,1295 50.316,1296 172,1297 178,1298 0.142,1299 254.398,1300 442.5,1301 612.492,1302 74502,1304 23.819,1305 0.701,1306 0.61,1307 23.819,1308 20.742,1309 16.402,1310 0.432,1311 0.34,1312 12.75,1313 15.733,1314 12.403,1315 10.196,1316 16.402,1317 12.921,1318 15.334,1319 0.279,1320 0.191,1321 15.334,1322 10.516,1323 12.945,1324 0.173,1325 0.107,1326 12.945,1327 8.03,1328 11.051,1329 0.109,1330 0.061,1331 11.051,1332 6.205,1333 8.892,1334 0.07,1335 0.035,1336 8.892,1337 4.488,1338 0.23,1339 102.645,1340 0.199,1341 31.871,1342 0.375,1343 186,1344 452.029,1345 204.528,1346 433.449,1347 600.19,1348 408,1349 223,1350 451.509,1351 242.918,1352 450.654,1353 666.29,1354 427,1355 7} {0 CHEMBL20771,1 1.508,2 10.72,3 4.455,4 19.847,5 107.497,6 8.212,7 0.444,8 3.961,9 4.093,10 3.62,11 3.532,12 4.967,13 3.476,14 4.517,15 4.722,16 4.029,17 3.932,18 5.461,19 3.853,20 4.755,21 4.955,22 4.186,23 4.134,24 5.717,25 4.012,26 4.902,27 5.151,28 3.918,29 4.114,30 5.797,31 3.944,32 4.82,33 5.09,34 3.819,35 3.976,36 5.711,37 3.834,38 4.714,39 4.965,40 3.93,41 3.89,42 5.679,43 3.759,44 4.643,45 4.922,46 3.669,47 3.827,48 5.473,49 3.672,50 4.497,51 4.721,52 3.72,53 3.748,54 5.491,55 3.604,56 0.035,57 0.702,58 9.666,59 4.533,60 6.783,61 6.249,62 0.213,63 1.149,64 21.337,65 7.513,66 18.251,67 10.543,68 0.218,69 1.402,70 30.88,71 10.463,72 26.874,73 14.037,74 0.287,75 1.482,76 48.724,77 13.007,78 39.557,79 17.173,80 0.24,81 1.358,82 31.4,83 10.87,84 36.905,85 15.174,86 0.397,87 1.247,88 31.701,89 9.111,90 43.963,91 12.79,92 0.22,93 1.143,94 30.132,95 9.457,96 24.813,97 13.133,98 0.22,99 0.977,100 23.156,101 8.128,102 36.173,103 10.683,104 26,105 38,106 0.257,107 0.56,108 0.729,109 0.818,110 0.839,111 0.839,112 3.267,113 1.039,114 -4.89,115 -4.79,116 -4.5,117 1,119 40.8,120 2,124 1,125 4,140 6,141 3,142 3,156 1,169 8,172 3,174 1,176 3,178 11,181 1,182 4,186 3,189 10,193 5,195 1,197 3,199 4,203 4,208 2,211 5,214 1,215 5,220 1,222 7,226 4,229 1,233 7,237 2,244 7,248 1,249 2,256 4,259 903,260 16.447,261 16.447,262 16.447,263 16.447,264 16.447,265 14.774,266 22.935,267 9.505,268 16.837,269 13.266,270 13.266,271 13.266,272 13.266,273 13.266,274 10.751,275 32.608,276 4.514,277 13.949,278 4.107,279 2.337,280 1.342,281 0.822,282 0.699,283 0.699,284 3.944,288 1,289 1,290 567,291 2.828,295 257.164,302 1.594,303 15.955,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 52.25,315 268,316 4.349,317 3.58,318 6.474,319 4.006,320 3.042,321 3.97,322 1.058,323 10.055,324 2.94,325 4.278,326 3.251,327 6.145,328 3.893,329 2.916,330 3.914,331 0.8,332 8.987,333 2.847,334 3.87,335 3.11,336 5.772,337 3.51,338 2.57,339 3.223,340 0.8,341 7.677,342 2.383,343 3.586,344 2.736,345 5.322,346 3.365,347 2.423,348 2.846,350 6.774,351 2.264,352 3.397,353 2.411,354 5.129,355 3.109,356 2.155,357 2.503,359 6.199,360 2.047,361 3.066,362 2.184,363 4.85,364 2.833,365 1.883,366 2.157,368 5.31,369 1.78,370 2.824,371 1.994,372 4.121,373 2.378,374 1.414,375 1.952,377 3.574,378 1.349,379 2.763,380 1.718,381 3.997,382 2.245,383 1.258,384 1.776,386 3.316,387 1.162,388 2.468,389 1.23,390 3.915,391 2.106,392 1.13,393 1.459,395 3,396 1.101,397 2,398 1.146,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 1.478,407 0.715,408 2.886,409 1.193,410 0.228,411 0.269,413 0.524,414 0.208,415 1.357,416 0.618,417 2.683,418 0.934,419 0.066,420 0.079,422 0.144,423 0.045,424 0.975,425 0.193,426 2.381,427 0.781,428 -0.188,429 -0.206,431 -0.434,432 -0.179,433 0.75,434 -0.103,435 2.334,436 0.396,437 -0.585,438 -0.687,440 -1.485,441 -0.56,442 0.671,443 -0.332,444 2.121,445 0.323,446 -0.674,447 -0.894,449 -1.701,450 -0.603,451 12.867,452 0.515,453 0.736,454 0.029,455 30.25,456 1.21,457 14.5,458 0.58,459 15.75,460 0.63,461 23.721,462 0.949,463 26.733,464 0.546,465 20.212,466 0.808,467 5.81,468 0.232,469 6.126,470 0.245,471 0.246,473 0.334,479 0.755,480 1.417,481 0.524,482 0.951,483 0.593,484 0.974,485 0.956,486 0.979,487 0.567,488 0.699,489 0.504,490 0.771,491 1.071,492 1.138,493 0.874,494 1.023,495 0.836,496 1.087,497 1.036,498 1.064,499 1.154,500 1.156,501 1.041,502 1.113,503 1.019,504 0.988,505 0.34,506 0.768,507 1.178,508 0.856,509 1.175,510 0.989,511 0.524,512 0.87,513 1.413,514 0.953,515 0.768,516 0.817,517 0.554,518 0.774,519 0.699,520 0.828,521 1.614,522 1.03,523 0.645,524 0.897,525 2.256,526 1.031,527 6,528 0.157,529 3.556,530 1.625,531 1.649,532 0.771,533 0.585,534 0.451,535 0.246,536 0.182,537 7045,538 17522,539 2.015,540 49,541 6,542 17,545 1,550 1.679,551 1.852,552 3.405,553 -0.356,555 1,559 73.888,560 1.508,561 3.278,562 4.272,563 4.793,564 4.915,565 4.915,566 2.889,567 4.103,568 4.616,569 3.524,570 1057.24,571 7.978,572 12877,574 1,576 1,577 275.121,578 1.516,579 4.555,580 0.222,581 0.01,582 0.094,583 0.042,584 0.052,585 0.025,586 0.021,587 0.017,588 0.011,589 0.01,590 0.502,591 0.5,592 1,593 0.65,594 121.046,595 -0.003,596 -0.212,597 0.007,598 -0.051,599 -0.043,600 -0.013,601 0.01,602 0.168,603 0.05,604 0.173,605 0.111,606 0.159,607 -0.091,608 -0.044,609 -0.032,610 -0.078,611 0.012,612 -0.128,613 -0.045,614 -0.097,615 -0.117,616 -0.161,618 -0.129,619 -0.001,620 -0.034,621 0.061,622 0.06,623 0.036,624 0.083,625 0.063,626 0.023,627 0.052,628 -0.02,629 -0.036,630 -0.032,631 0.058,632 0.144,633 0.042,634 0.105,635 0.068,636 0.132,637 -0.217,638 -0.056,639 0.003,640 0.005,641 -0.284,642 -0.086,643 1.746,644 5.546,645 0.72,646 21.024,647 0.991,648 1.125,649 3.655,650 13.361,651 0.678,652 3.332,653 3.664,654 3.892,655 4.078,656 4.331,657 4.304,658 4.357,659 4.382,660 4.407,661 4.489,662 6.22,663 0.624,664 402.37,665 3.332,666 4.875,667 5.714,668 6.581,669 7.437,670 8.304,671 9.166,672 10.033,673 10.898,674 11.765,675 6.1,678 1,681 1,682 1,688 6,693 6,695 12,702 1,709 1,713 1,714 49,716 13,717 2,718 27,719 1,720 51,721 20,722 12,723 6,724 6,725 1,730 3,731 3,736 2,745 13,746 7,750 1,755 1,759 1,761 1,764 24,765 4,766 1,767 5,768 1,773 3,777 1,778 1,793 3,815 1,819 3,822 1,823 3,827 25,833 4,834 1,838 2,846 1,847 2,850 1,854 13.5,855 9.71,856 5.444,857 2.929,858 2.189,859 1.313,860 0.98,861 5.698,862 9.175,863 3.555,864 4.127,865 4.63,866 5.104,867 5.625,868 5.715,869 5.902,870 6.063,871 6.339,872 6.659,873 1,874 39,875 9.258,877 3.825,878 7.577,879 18.08,881 14.707,883 2.077,884 51.917,886 1,887 1,888 270.735,889 114.157,890 70.213,892 25.145,895 160.111,896 295.88,897 24.259,898 26.047,899 26.434,900 56.857,901 29.85,902 24.374,904 270.735,905 45.954,906 270.735,907 138.416,908 25.145,910 45.954,911 270.735,912 25.145,915 47.208,916 91.208,918 45.954,919 270.735,920 49.404,921 160.111,924 270.735,925 31.253,926 89.153,927 63.965,928 25.145,929 270.735,930 49.404,931 160.111,933 0.592,934 0.342,935 0.167,936 0.098,937 18,938 9,939 0.059,940 3,942 1,943 3.658,944 201.581,946 18,947 112.096,951 18.277,952 7.794,953 4.365,955 49.404,956 11.783,961 6.013,963 18.011,964 480.251,965 34,970 12.546,974 -0.08,975 48.581,976 55.113,977 0.269,978 0.584,979 0.761,980 0.854,981 0.875,982 0.875,983 4.804,984 1.258,985 5.714,986 3.574,987 4.344,988 4.812,989 1.641,990 6.503,991 4.253,992 6.005,993 1.13,994 7.272,995 3.316,996 4.007,997 4.663,998 0.57,999 7.357,1000 3.846,1001 7.308,1002 1,1003 8.924,1004 3,1005 5.932,1006 6.943,1007 1.488,1008 10.408,1009 5.766,1010 8.64,1011 0.228,1012 10.627,1013 2.275,1014 6.347,1015 7.548,1016 0.479,1017 12.04,1018 6.119,1019 10,1020 0.066,1021 12.363,1022 0.524,1023 7.78,1024 9.359,1025 1.47,1026 14.618,1027 7.545,1028 11.379,1029 -0.188,1030 14.122,1031 0.144,1032 8.539,1033 10.317,1034 0.346,1035 16.594,1036 8.257,1037 12.773,1038 -0.585,1039 15.896,1040 -0.434,1041 9.771,1042 11.923,1043 1.501,1044 18.993,1045 9.475,1046 3.042,1047 -0.674,1048 17.684,1049 -1.485,1050 10.697,1051 13.063,1052 0.237,1053 21.132,1054 10.363,1055 2.916,1056 10.055,1057 19.481,1058 -1.701,1059 11.843,1060 14.565,1061 1.556,1062 23.46,1063 11.49,1064 2.57,1065 8.987,1066 21.287,1067 3.97,1068 12.852,1069 15.804,1070 0.158,1071 25.678,1072 12.467,1073 2.423,1074 7.677,1075 23.099,1076 3.914,1077 13.963,1078 17.25,1079 1.626,1080 27.98,1081 13.555,1082 2.155,1083 6.774,1084 24.917,1085 3.223,1086 15.013,1087 18.545,1088 0.104,1089 30.236,1090 14.576,1091 1.883,1092 6.199,1093 26.74,1094 2.846,1095 16.11,1096 19.959,1097 1.706,1098 32.53,1099 15.648,1100 1.414,1101 5.31,1102 28.568,1103 2.503,1104 17.182,1105 21.286,1106 0.068,1107 34.806,1108 16.691,1109 6904,1110 11043,1111 17.512,1112 33.199,1113 40.651,1114 41.887,1115 42.124,1116 40.269,1117 40.168,1118 50.298,1119 5.317,1120 115.666,1121 38.177,1122 5.349,1123 5.58,1124 5.888,1125 5.073,1126 5.042,1127 6.97,1128 2.117,1129 16.694,1130 4.94,1131 14.321,1132 1.506,1133 1.551,1134 1.56,1135 1.491,1136 1.488,1137 1.863,1138 0.197,1139 4.284,1140 1.414,1141 4.012,1142 4.05,1143 6.88,1144 3.936,1145 7.429,1146 3.931,1147 3.912,1148 3.94,1149 3.943,1150 3.859,1151 4.766,1152 3.85,1153 3.745,1154 3.811,1155 3.793,1156 3.561,1157 4.692,1158 3.568,1159 3.394,1160 3.441,1161 3.624,1162 3.219,1163 4.353,1164 3.226,1165 3.188,1166 3.293,1167 3.271,1168 3.017,1169 4.021,1170 2.998,1171 3.16,1172 3.245,1173 3.01,1174 2.941,1175 3.879,1176 2.937,1177 3.111,1178 3.206,1179 2.962,1180 2.94,1181 3.857,1182 2.91,1183 3.052,1184 3.11,1185 2.866,1186 2.933,1187 3.71,1188 2.896,1189 0.161,1190 0.133,1191 0.24,1192 0.148,1193 0.113,1194 4.349,1195 0.147,1196 3.58,1197 0.039,1198 6.474,1199 0.372,1200 4.006,1201 0.109,1202 3.042,1203 3.97,1204 1.058,1205 10.055,1206 2.94,1207 1.957,1208 1.93,1209 2.065,1210 2.08,1211 1.314,1212 2.079,1213 1.905,1214 1.881,1215 1.995,1216 1.991,1217 1.155,1218 2.001,1219 1.712,1220 1.64,1221 1.921,1222 1.9,1223 1.104,1224 1.913,1225 1.325,1226 1.276,1227 1.58,1228 1.559,1229 0.825,1230 1.56,1231 1.193,1232 1.116,1233 1.543,1234 1.457,1235 0.644,1236 1.49,1237 1.172,1238 1.067,1239 1.523,1240 1.402,1241 0.641,1242 1.45,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.594,1248 1.429,1249 1.027,1250 0.981,1251 1.21,1252 1.249,1253 0.283,1254 1.258,1255 4.007,1257 5.333,1259 6.849,1261 8.447,1263 10.086,1264 3.47,1265 6.261,1271 4.156,1272 3.029,1276 4.738,1280 30.599,1281 73.888,1282 160.614,1283 209.346,1284 234.856,1285 240.856,1286 240.856,1287 39.498,1288 6.986,1289 35.58,1290 35.58,1291 18,1292 12.31,1293 3.807,1294 3,1295 41.827,1296 93,1297 91,1298 0.22,1299 196.238,1300 338.27,1301 470.581,1302 9525,1303 2,1304 17.974,1305 0.719,1306 0.662,1307 18.974,1308 16.559,1309 11.936,1310 0.442,1311 0.346,1312 8.508,1313 11.051,1314 8.108,1315 6.769,1316 12.513,1317 9.348,1318 11.081,1319 0.292,1320 0.199,1321 11.822,1322 7.564,1323 9.181,1324 0.191,1325 0.117,1326 10.039,1327 5.621,1328 6.857,1329 0.118,1330 0.057,1331 7.16,1332 3.311,1333 5.846,1334 0.078,1335 0.033,1336 6.235,1337 2.494,1338 0.345,1339 82.242,1340 0.239,1341 24.32,1342 0.6,1343 130,1344 328.013,1345 204.302,1346 360.655,1347 483.06,1348 336,1349 151,1350 327.201,1351 194.126,1352 350.407,1353 507.89,1354 327,1355 7.4} {0 CHEMBL20791,1 1.516,2 16.162,3 4.373,4 19.126,5 143.785,6 7.318,7 0.561,8 4.317,9 4.435,10 3.878,11 3.842,12 5.409,13 3.825,14 4.852,15 5.037,16 4.234,17 4.226,18 5.888,19 4.196,20 5.053,21 5.237,22 4.278,23 4.395,24 6.075,25 4.329,26 5.196,27 5.427,28 4.238,29 4.432,30 6.16,31 4.33,32 5.189,33 5.429,34 4.183,35 4.39,36 6.132,37 4.287,38 5.117,39 5.352,40 4.096,41 4.335,42 6.042,43 4.221,44 5.086,45 5.333,46 4.063,47 4.256,48 6.039,49 4.143,50 4.996,51 5.231,52 3.999,53 4.118,54 6.039,55 4.041,56 0.063,57 0.999,58 14.19,59 6.101,60 11.282,61 8.096,62 0.336,63 1.605,64 27.14,65 9.728,66 28.933,67 13.411,68 0.365,69 1.903,70 33.313,71 12.59,72 39.805,73 17.021,74 0.32,75 2.096,76 40.287,77 14.999,78 53.351,79 21.093,80 0.464,81 2.033,82 41.046,83 14.501,84 56.516,85 20.433,86 0.427,87 1.903,88 37.666,89 13.793,90 45.592,91 19.455,92 0.38,93 1.788,94 37.161,95 13.774,96 50.183,97 19.461,98 0.405,99 1.611,100 34.532,101 11.363,102 61.571,103 15.682,104 29,105 58,106 0.237,107 0.557,108 0.723,109 0.826,110 0.852,111 0.852,112 3.642,113 0.905,114 -5.43,115 -5.31,116 -4.96,119 42.6,120 2,124 2,125 4,140 10,141 5,142 3,147 1,156 1,159 1,164 1,169 15,171 2,172 7,174 1,176 3,178 19,181 2,182 11,186 3,189 18,193 11,195 1,197 2,199 16,203 9,206 1,208 1,211 17,214 2,215 7,220 1,222 13,225 1,226 11,229 1,231 2,233 7,237 13,242 3,244 4,248 1,249 9,254 1,256 7,259 2717,260 24.894,261 24.894,262 24.894,263 24.894,264 24.894,265 22.083,266 26.795,267 14.524,268 25.383,269 20.235,270 20.235,271 20.235,272 20.235,273 20.235,274 15.913,275 36.509,276 6.915,277 20.995,278 4.571,279 2.524,280 1.46,281 0.802,282 0.633,283 0.633,284 4.346,289 1,290 1308,291 3.808,294 121.341,295 488.459,299 194.361,302 2.554,303 26.996,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 79.5,315 598,316 4.441,317 3.574,318 6.529,319 4.064,320 3.077,321 4.146,322 1.058,323 10.303,324 3.054,325 4.366,326 3.327,327 6.482,328 4.017,329 3.063,330 3.972,331 0.86,332 10.074,333 2.915,334 4.224,335 3.108,336 6.151,337 3.839,338 2.858,339 3.846,340 0.8,341 9.1,342 2.805,343 4.08,344 2.858,345 6.04,346 3.725,347 2.74,348 3.591,349 0.8,350 8.652,351 2.683,352 3.684,353 2.632,354 5.321,355 3.316,356 2.357,357 3.088,359 6.824,360 2.262,361 3.571,362 2.458,363 5.181,364 3.222,365 2.254,366 2.892,368 6.304,369 2.185,370 3.332,371 2.406,372 5.141,373 3.12,374 2.182,375 2.575,377 6.188,378 2.031,379 3.28,380 2.388,381 4.943,382 2.924,383 1.982,384 2.404,386 5.485,387 1.903,388 3.102,389 2.187,390 4.629,391 2.872,392 1.904,393 2.149,395 5.058,396 1.797,397 2.846,398 1.828,399 4.194,400 2.416,401 1.454,402 1.947,404 3.727,405 1.402,406 2.741,407 1.758,408 4.115,409 2.341,410 1.362,411 1.816,413 3.458,414 1.316,415 2.61,416 1.405,417 4.056,418 2.256,419 1.276,420 1.631,422 3.392,423 1.245,424 2.535,425 1.163,426 3.884,427 2.042,428 1.057,429 1.523,431 2.903,432 1.037,433 2.5,434 1.154,435 3.431,436 2,437 1.012,438 1.5,440 2.376,441 1,442 2.244,443 1,444 3.414,445 1.979,446 1,447 1.208,449 2.275,450 0.972,451 17.5,452 0.473,453 0.976,454 0.026,455 49.5,456 1.338,457 25,458 0.676,459 24.5,460 0.662,461 32.239,462 0.871,463 39.5,464 0.581,465 40.651,466 1.099,467 9.997,468 0.27,469 7.871,470 0.213,471 0.133,473 0.36,479 0.745,480 1.363,481 0.784,482 1.13,483 0.634,484 0.988,485 0.973,486 0.96,487 0.813,488 0.827,489 0.584,490 0.789,491 1.097,492 1.063,493 1.072,494 1.049,495 0.936,496 1.054,497 0.849,498 1.07,499 0.976,500 1.075,501 0.974,502 1.048,503 1.024,504 0.951,505 1.001,506 0.949,507 1.169,508 0.966,509 0.868,510 0.989,511 1.039,512 1.044,513 0.92,514 1.062,515 0.742,516 1.018,517 0.877,518 1.046,519 0.817,520 0.996,521 1.46,522 1.017,523 1.018,524 0.945,525 1.786,526 0.926,527 8,528 0.207,529 4.667,530 2.285,531 2.152,532 1.295,533 1.032,534 0.67,535 0.362,536 0.269,537 24522,538 60389,539 2.1,540 45.6,541 3,542 24,545 1,546 3,550 1.776,551 1.965,552 3.94,553 -0.392,559 103.121,560 1.516,561 3.563,562 4.628,563 5.286,564 5.455,565 5.455,566 3.422,567 4.993,568 5.179,569 4.147,570 2761.96,571 9.083,572 47457,577 413.947,578 1.414,579 5.14,580 0.195,581 0.006,582 0.08,583 0.039,584 0.039,585 0.025,586 0.022,587 0.015,588 0.009,589 0.007,590 0.437,591 0.17,592 0.75,593 0.953,594 208.042,595 0.074,596 -0.183,597 0.076,598 -0.077,599 -0.016,600 -0.015,601 0.035,602 0.159,603 0.13,604 0.157,605 0.126,606 0.161,607 -0.101,608 0.011,609 -0.135,610 -0.043,611 -0.041,612 -0.086,613 -0.026,614 -0.072,615 -0.018,616 -0.072,617 0.021,618 -0.048,619 -0.07,620 0.032,621 -0.017,622 0.037,623 -0.065,624 0.023,625 -0.005,626 0.001,627 -0.073,628 -0.046,629 -0.06,630 -0.064,631 0.128,632 -0.079,633 0.105,634 -0.04,635 0.151,636 0.019,637 -0.153,638 -0.061,639 0.011,640 0.019,641 -0.078,642 0.036,643 1.817,644 6.012,645 0.73,646 49.572,647 1,648 1.125,649 4.195,650 17.6,651 0.666,652 3.738,653 4.078,654 4.344,655 4.605,656 4.836,657 4.927,658 5.094,659 5.198,660 5.293,661 5.361,662 9.283,663 0.634,664 497.65,665 3.738,666 5.293,667 6.146,668 7.027,669 7.896,670 8.779,671 9.655,672 10.539,673 11.418,674 12.303,675 7.4,678 1,681 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,709 1,712 1,714 68,716 24,717 3,718 41,720 72,721 29,722 20,723 8,724 10,725 1,730 5,731 6,736 2,745 21,746 8,750 1,755 1,759 1,764 31,765 8,766 1,767 8,773 5,777 0.8,778 3,792 1,793 4,797 1,815 1,819 4,823 4,827 37,833 4,834 1,835 1,838 2,847 4.4,850 1,852 2,854 18.833,855 13.633,856 8,857 4.024,858 4.148,859 1.481,860 0.991,861 7.379,862 12.778,863 3.998,864 4.603,865 5.18,866 5.753,867 6.26,868 6.559,869 7.008,870 7.369,871 7.729,872 8.107,873 0.909,874 59,875 13.661,877 5.749,878 7.631,879 26.334,881 21.469,883 2.131,884 78.833,888 353.133,889 178.852,890 60.642,892 45.879,895 178.852,896 399.012,897 60.642,898 34.443,899 28.92,900 94.762,901 71.252,902 55.995,904 353.133,906 353.133,907 239.494,908 45.879,911 355.461,912 45.879,915 54.715,916 146.069,917 36.382,919 353.133,920 106.52,921 178.852,924 353.133,925 49.647,926 135.454,927 18.011,928 82.261,929 353.133,930 106.52,931 178.852,933 0.587,934 0.336,935 0.179,936 0.099,937 28,938 13,939 0.097,940 7,941 1,942 1.074,943 4.82,944 353.545,945 0.074,946 27,947 184.75,951 25.156,952 10.853,953 5.749,955 106.52,956 19.524,957 8.297,959 5.094,961 8.437,963 18.011,964 638.506,965 53.5,970 13.012,974 -0.15,975 67.978,976 76.517,977 0.249,978 0.585,979 0.76,980 0.868,981 0.896,982 0.896,983 5.246,984 1.982,985 6.138,986 6.188,987 4.762,988 5.291,989 1.893,990 6.944,991 4.697,992 6.453,993 1.904,994 7.696,995 5.485,996 4.369,997 5.075,998 0.57,999 7.825,1000 4.278,1001 7.758,1002 1.454,1003 9.35,1004 5.058,1005 6.358,1006 7.461,1007 1.709,1008 10.906,1009 6.237,1010 9.095,1011 1.362,1012 11.06,1013 3.727,1014 6.758,1015 8.05,1016 0.479,1017 12.604,1018 6.617,1019 10.464,1020 1.276,1021 12.806,1022 3.458,1023 8.222,1024 9.91,1025 1.641,1026 15.193,1027 8.056,1028 11.853,1029 1.057,1030 14.577,1031 3.392,1032 8.988,1033 10.878,1034 0.346,1035 17.232,1036 8.802,1037 13.259,1038 1.012,1039 16.367,1040 2.903,1041 10.239,1042 12.504,1043 1.626,1044 19.645,1045 10.03,1046 3.077,1047 1,1048 18.171,1049 2.376,1050 11.181,1051 13.667,1052 0.237,1053 21.832,1054 10.952,1055 3.063,1056 10.303,1057 19.985,1058 2.275,1059 12.342,1060 15.179,1061 1.645,1062 24.178,1063 12.092,1064 2.858,1065 10.074,1066 21.808,1067 4.146,1068 13.369,1069 16.446,1070 0.158,1071 26.431,1072 13.098,1073 2.74,1074 9.1,1075 23.637,1076 3.972,1077 14.494,1078 17.9,1079 1.689,1080 28.753,1081 14.201,1082 2.357,1083 8.652,1084 25.472,1085 3.846,1086 15.562,1087 19.223,1088 0.104,1089 31.036,1090 15.248,1091 2.254,1092 6.824,1093 27.311,1094 3.591,1095 16.673,1096 20.649,1097 1.749,1098 33.35,1099 16.339,1100 2.182,1101 6.304,1102 29.155,1103 3.088,1104 17.761,1105 22.004,1106 0.068,1107 35.649,1108 17.406,1109 22889,1110 36169,1111 27.452,1112 45.29,1113 62.315,1114 62.887,1115 63.357,1116 61.622,1117 61.603,1118 79.757,1119 7.037,1120 178.026,1121 59.543,1122 5.392,1123 5.574,1124 6.074,1125 5.172,1126 5.077,1127 7.146,1128 2.117,1129 17.123,1130 5.054,1131 19.209,1132 1.52,1133 1.534,1134 1.545,1135 1.503,1136 1.503,1137 1.945,1138 0.172,1139 4.342,1140 1.452,1141 4.065,1142 4.091,1143 4.022,1144 4.001,1145 7.429,1146 4.001,1147 3.972,1148 4.003,1149 3.926,1150 3.867,1151 5.295,1152 3.876,1153 3.864,1154 3.892,1155 3.826,1156 3.754,1157 4.871,1158 3.76,1159 3.697,1160 3.756,1161 3.641,1162 3.472,1163 4.783,1164 3.512,1165 3.663,1166 3.716,1167 3.532,1168 3.464,1169 4.546,1170 3.473,1171 3.489,1172 3.558,1173 3.364,1174 3.272,1175 4.354,1176 3.281,1177 3.257,1178 3.294,1179 3.179,1180 3.079,1181 4.323,1182 3.097,1183 3.175,1184 3.259,1185 2.982,1186 3.022,1187 3.942,1188 3.003,1189 0.108,1190 0.087,1191 0.159,1192 0.099,1193 0.075,1194 4.441,1195 0.101,1196 3.574,1197 0.026,1198 6.529,1199 0.251,1200 4.064,1201 0.074,1202 3.077,1203 4.146,1204 1.058,1205 10.303,1206 3.054,1207 2.013,1208 1.995,1209 2.099,1210 2.087,1211 1.254,1212 2.087,1213 1.925,1214 1.898,1215 2.028,1216 2.055,1217 1.243,1218 2.053,1219 1.798,1220 1.774,1221 1.912,1222 1.903,1223 1.055,1224 1.906,1225 1.631,1226 1.554,1227 1.869,1228 1.855,1229 1.01,1230 1.865,1231 1.453,1232 1.388,1233 1.71,1234 1.7,1235 0.924,1236 1.696,1237 1.437,1238 1.375,1239 1.695,1240 1.683,1241 0.736,1242 1.686,1243 1.264,1244 1.218,1245 1.552,1246 1.487,1247 0.703,1248 1.496,1249 1.18,1250 1.125,1251 1.53,1252 1.435,1253 0.621,1254 1.466,1255 4.419,1257 5.753,1258 2.398,1259 7.272,1260 4.595,1261 8.877,1262 6.555,1263 10.529,1265 7.956,1271 3.338,1272 3.038,1273 5.824,1276 4.464,1280 43.1,1281 103.121,1282 242.315,1283 314.689,1284 359.418,1285 370.928,1286 370.928,1287 58.79,1288 8.631,1289 83.73,1290 83.73,1291 29,1292 12.836,1293 4.644,1294 3.755,1295 57.188,1296 209,1297 201,1298 0.131,1299 262.813,1300 454.55,1301 633.023,1302 84136,1304 25.941,1305 0.701,1306 0.584,1307 25.941,1308 21.616,1309 17.868,1310 0.436,1311 0.302,1312 12.181,1313 17.126,1314 11.747,1315 9.799,1316 17.868,1317 12.369,1318 16.546,1319 0.285,1320 0.164,1321 16.546,1322 9.519,1323 13.637,1324 0.179,1325 0.085,1326 13.637,1327 6.464,1328 11.4,1329 0.115,1330 0.045,1331 11.4,1332 4.451,1333 9.251,1334 0.074,1335 0.025,1336 9.251,1337 3.097,1338 0.214,1339 112.23,1340 0.191,1341 34.429,1342 0.339,1343 198,1344 562.12,1345 217.125,1346 542.459,1347 753.68,1348 510,1349 233,1350 572.41,1351 253.182,1352 578.693,1353 841.99,1354 542,1355 7.7} {0 CHEMBL2087337,1 1.617,2 13.429,3 1.185,4 1.404,5 135.309,6 7.109,7 0.158,8 4.345,9 4.465,10 3.982,11 3.853,12 5.325,13 3.803,14 4.969,15 5.156,16 4.317,17 4.286,18 6.08,19 4.222,20 5.309,21 5.527,22 4.379,23 4.505,24 6.322,25 4.412,26 5.436,27 5.677,28 4.38,29 4.537,30 6.498,31 4.418,32 5.417,33 5.657,34 4.34,35 4.481,36 6.544,37 4.373,38 5.362,39 5.6,40 4.228,41 4.394,42 6.447,43 4.275,44 5.292,45 5.563,46 4.178,47 4.34,48 6.231,49 4.201,50 5.163,51 5.376,52 4.151,53 4.351,54 6.155,55 4.218,56 0.106,57 1.068,58 19.582,59 6.978,60 23.259,61 9.377,62 0.543,63 1.765,64 35.654,65 11.653,66 71.581,67 16.383,68 0.729,69 2.249,70 51.517,71 15.795,72 93.11,73 22.259,74 0.953,75 2.331,76 57.098,77 18.387,78 152.913,79 25.908,80 0.949,81 2.205,82 57.532,83 17.659,84 182.49,85 24.861,86 0.932,87 2.094,88 52.683,89 15.667,90 141.569,91 22.471,92 0.91,93 1.971,94 53.223,95 14.959,96 135.893,97 21.192,98 0.553,99 1.877,100 47.478,101 15.773,102 88.503,103 20.637,104 90,105 57,106 0.254,107 0.554,108 0.775,109 0.837,110 0.841,111 0.841,112 3.588,113 1.114,114 -2.43,115 -2.46,116 -2.41,119 35.2,120 2,121 4,124 2,125 2,127 5,134 1,135 1,140 4,141 1,142 1,156 2,169 7,171 4,172 11,174 1,176 3,178 10,182 5,184 2,186 1,189 7,192 3,193 8,195 3,197 3,199 11,203 3,206 2,208 5,211 9,214 3,215 16,220 4,222 6,226 2,230 1,231 1,233 4,236 2,237 13,240 1,244 10,249 1,252 1,254 1,256 4,259 2190,260 22.488,261 22.488,262 22.488,263 22.488,264 22.488,265 21.041,266 35.122,267 12.721,268 22.875,269 18.719,270 18.719,271 18.719,272 18.719,273 18.719,274 16.298,275 56.876,276 6.011,277 19.388,278 4.533,279 2.627,280 1.226,281 0.831,282 0.803,283 0.803,284 4.273,289 1,290 995,291 5.05,294 88.65,295 305.23,296 117.253,299 170.025,302 2.22,303 54.161,306 0.75,307 0.67,308 0.83,309 0.9,310 1,311 0.83,312 1,313 0.85,314 77,315 470,316 4.734,317 4.37,318 7.058,319 4.259,320 3.293,321 4.506,322 1.2,323 11.697,324 3.203,325 4.559,326 3.857,327 6.959,328 4.227,329 3.285,330 4.082,331 1.058,332 11.365,333 3.057,334 4.139,335 3.456,336 6.573,337 4.079,338 3.128,339 3.45,340 0.8,341 10.482,342 2.974,343 4.011,344 3.334,345 6.2,346 3.685,347 2.695,348 3.127,349 0.4,350 8.997,351 2.662,352 3.665,353 2.882,354 5.749,355 3.398,356 2.416,357 2.835,358 0.293,359 7.578,360 2.361,361 3.392,362 2.661,363 5.353,364 3.288,365 2.335,366 2.418,368 6.915,369 2.216,370 3.239,371 2.409,372 5.115,373 3.097,374 2.141,375 2.276,377 6.155,378 2.038,379 2.932,380 2.324,381 5.075,382 2.861,383 1.879,384 2.067,386 5.946,387 1.844,388 2.909,389 1.964,390 4.637,391 2.636,392 1.61,393 1.927,395 4.347,396 1.637,397 2.879,398 1.96,399 4.374,400 2.501,401 1.502,402 1.879,404 3.915,405 1.498,406 2.747,407 1.699,408 4.245,409 2.372,410 1.391,411 1.802,413 3.711,414 1.367,415 2.506,416 1.45,417 3.902,418 2.314,419 1.367,420 1.475,422 2.996,423 1.281,424 2.378,425 1.312,426 3.648,427 2.028,428 1.087,429 1.134,431 2.794,432 1.017,433 2.108,434 1.245,435 3.613,436 1.797,437 0.794,438 1.098,440 2.061,441 0.791,442 1.459,443 0.674,444 2.995,445 1.132,446 0.155,447 0.164,449 0.407,450 0.15,451 16.6,452 0.474,453 1.307,454 0.037,455 36.75,456 1.05,457 14,458 0.4,459 22.75,460 0.65,461 41.549,462 1.187,463 41,464 0.577,465 31.779,466 0.908,467 6.503,468 0.186,469 9.949,470 0.284,471 0.221,472 0.05,473 0.373,479 0.635,480 1.599,481 0.877,482 1.362,483 0.65,484 1.123,485 0.673,486 1.236,487 0.95,488 1.071,489 0.504,490 0.982,491 1.072,492 1.057,493 1.127,494 1.041,495 0.887,496 1.03,497 0.914,498 0.948,499 0.885,500 0.968,501 0.969,502 1.027,503 1.097,504 1.015,505 0.927,506 0.976,507 1.118,508 0.972,509 1.283,510 1.093,511 0.983,512 0.96,513 1.284,514 1.08,515 1.191,516 0.729,517 0.992,518 0.726,519 1.138,520 0.789,521 0.972,522 1.161,523 1.342,524 1.361,525 1.049,526 1.223,527 9.5,528 0.258,529 4.667,530 3.257,531 2.8,532 1.434,533 1.02,534 0.788,535 0.502,536 0.386,537 17875,538 48397,539 1.984,540 50.7,542 20,545 2,547 10,548 4,550 1.765,551 1.787,552 3.637,553 0.219,559 114.809,560 1.617,561 3.523,562 4.924,563 5.318,564 5.347,565 5.347,566 3.125,567 4.493,568 5.101,569 3.907,570 2324.95,571 8.943,572 36712.2,577 436.632,578 1.711,579 5.014,580 0.25,581 0.008,582 0.082,583 0.054,584 0.05,585 0.026,586 0.022,587 0.018,588 0.011,589 0.011,590 0.533,591 0.33,592 0.75,593 1.473,594 190.33,595 0.034,596 -0.245,597 0.183,598 -0.079,599 -0.095,600 0.006,601 0.155,602 -0.024,603 0.043,604 0.007,605 0.168,606 0.046,607 -0.122,608 0.052,609 -0.143,610 -0.031,611 -0.044,612 -0.038,613 0.041,614 0.037,615 -0.006,616 -0.038,617 0.009,618 -0.043,619 -0.008,620 -0.071,621 0.001,622 -0.03,623 0.006,624 0.007,625 -0.117,626 -0.133,627 -0.101,628 -0.077,629 -0.131,630 -0.133,631 -0.152,632 0.237,633 0.033,634 0.216,635 -0.121,636 0.159,637 -0.057,638 -0.085,639 -0.224,640 -0.212,641 -0.082,642 -0.181,643 4.261,644 6.22,645 0.514,646 40.392,647 1.004,648 1.135,649 1.196,650 1.431,651 0.636,652 3.664,653 4.06,654 4.317,655 4.595,656 4.828,657 4.92,658 5.05,659 5.153,660 5.231,661 5.323,662 8.073,663 0.595,664 504.72,665 3.664,666 5.252,667 6.116,668 7.027,669 7.912,670 8.823,671 9.717,672 10.627,673 11.525,674 12.435,675 5.6,678 2,682 2,688 4,693 2,695 6,714 71,716 11,717 1,718 38,720 74,721 25,722 6,723 2,724 4,725 4,730 4,731 6,736 2,740 7,743 9,745 10,746 15,750 5,753 1,755 4,757 1,759 3,764 36,765 9,766 2,767 10,768 1,773 4,777 0.5,778 5,780 1,789 1,792 1,793 3,794 1,797 1,805 1,806 1,810 1,811 1,815 1,817 1,819 2,821 1,823 4,827 35,830 1,832 1,833 6,834 1,837 5,838 3,847 7,848 1,850 4,854 19.583,855 13.467,856 7.389,857 4.356,858 1.778,859 1.215,860 0.924,861 7.631,862 10.053,863 3.85,864 4.401,865 4.785,866 5.22,867 5.673,868 5.893,869 6.197,870 6.471,871 6.62,872 6.6,873 0.889,874 60,875 13.353,877 6.094,878 7.94,879 25.184,881 21.87,883 2.44,884 85.417,888 400.217,889 119.313,890 25.778,892 137.286,894 5.807,895 113.505,896 537.504,897 25.778,898 33.237,899 35.485,900 95.872,901 104.012,902 13.771,904 400.217,906 400.217,907 139.283,908 137.286,909 5.807,911 235.422,912 259.398,913 42.683,915 57.778,916 72.029,917 15.284,919 400.217,920 163.064,921 119.313,923 5.807,924 400.217,925 32.887,926 88.386,927 18.011,928 137.286,929 400.217,930 163.064,931 119.313,933 0.605,934 0.349,935 0.182,936 0.1,937 28,938 15,939 0.108,940 8,941 3,942 1.278,943 4.353,944 336.044,945 0.333,946 17,947 169.525,950 1,951 26.15,952 10.213,953 5.586,955 163.064,956 7.596,961 1.671,963 60.694,964 682.594,965 46,968 -3.345,970 49.729,972 1.685,974 -0.469,975 71.258,976 80.603,977 0.263,978 0.573,979 0.801,980 0.865,981 0.869,982 0.869,983 5.168,984 1.879,985 6.172,986 6.155,987 4.745,988 5.088,989 2.001,990 7.06,991 4.675,992 6.389,993 1.61,994 7.794,995 5.946,996 4.635,997 5.215,998 0.57,999 8.23,1000 4.499,1001 7.735,1002 1.502,1003 9.52,1004 4.347,1005 6.46,1006 7.249,1007 2.022,1008 11.285,1009 6.306,1010 9.113,1011 1.391,1012 11.306,1013 3.915,1014 7.099,1015 8.174,1016 0.801,1017 13.217,1018 6.874,1019 10.527,1020 1.367,1021 13.129,1022 3.711,1023 8.49,1024 9.818,1025 2.173,1026 15.854,1027 8.239,1028 11.965,1029 1.087,1030 14.978,1031 2.996,1032 9.443,1033 11.063,1034 1.074,1035 18.083,1036 9.126,1037 13.424,1038 0.794,1039 16.845,1040 2.794,1041 10.686,1042 12.592,1043 2.366,1044 20.583,1045 10.334,1046 3.293,1047 0.155,1048 18.727,1049 2.061,1050 11.769,1051 13.968,1052 1.404,1053 22.931,1054 11.359,1055 3.285,1056 11.697,1057 20.619,1058 0.407,1059 12.964,1060 15.463,1061 2.584,1062 25.386,1063 12.513,1064 3.128,1065 11.365,1066 22.519,1067 4.506,1068 14.101,1069 16.896,1070 1.768,1071 27.784,1072 13.597,1073 2.695,1074 10.482,1075 24.427,1076 4.082,1077 15.281,1078 18.381,1079 2.823,1080 30.224,1081 14.734,1082 2.416,1083 8.997,1084 26.339,1085 3.45,1086 16.441,1087 19.842,1088 2.15,1089 32.644,1090 15.845,1091 2.335,1092 7.578,1093 28.257,1094 3.127,1095 17.618,1096 21.327,1097 3.081,1098 35.081,1099 16.978,1100 2.141,1101 6.915,1102 30.178,1103 2.835,1104 18.789,1105 22.802,1106 2.538,1107 37.511,1108 18.103,1109 17393,1110 28743,1111 23.986,1112 45.125,1113 59.033,1114 62.015,1115 61.004,1116 58.311,1117 58.156,1118 68.482,1119 7.502,1120 178.73,1121 56.193,1122 5.734,1123 6.37,1124 6.739,1125 5.302,1126 5.293,1127 7.506,1128 2.293,1129 19.305,1130 5.203,1131 24.192,1132 1.553,1133 1.632,1134 1.605,1135 1.534,1136 1.53,1137 1.802,1138 0.197,1139 4.703,1140 1.479,1141 4.064,1142 4.101,1143 4.72,1144 3.97,1145 7.716,1146 3.959,1147 3.99,1148 4.017,1149 3.997,1150 3.929,1151 7.444,1152 3.86,1153 3.954,1154 3.946,1155 3.881,1156 3.845,1157 7.412,1158 3.789,1159 3.632,1160 3.676,1161 3.568,1162 3.495,1163 6.999,1164 3.505,1165 3.586,1166 3.641,1167 3.458,1168 3.417,1169 6.449,1170 3.411,1171 3.521,1172 3.557,1173 3.408,1174 3.364,1175 4.766,1176 3.35,1177 3.323,1178 3.387,1179 3.183,1180 3.158,1181 4.438,1182 3.15,1183 3.15,1184 3.252,1185 2.933,1186 2.951,1187 4.217,1188 2.926,1189 0.125,1190 0.115,1191 0.186,1192 0.112,1193 0.087,1194 4.734,1195 0.119,1196 4.37,1197 0.032,1198 7.058,1199 0.308,1200 4.259,1201 0.084,1202 3.293,1203 4.506,1204 1.2,1205 11.697,1206 3.203,1207 1.978,1208 1.954,1209 2.069,1210 2.087,1211 1.418,1212 2.081,1213 1.836,1214 1.816,1215 2.007,1216 2.016,1217 1.255,1218 2.032,1219 1.77,1220 1.754,1221 1.874,1222 1.936,1223 1.224,1224 1.975,1225 1.613,1226 1.557,1227 1.86,1228 1.787,1229 1.194,1230 1.819,1231 1.604,1232 1.543,1233 1.84,1234 1.76,1235 1.033,1236 1.798,1237 1.528,1238 1.49,1239 1.644,1240 1.728,1241 0.959,1242 1.741,1243 1.457,1244 1.423,1245 1.599,1246 1.628,1247 0.701,1248 1.631,1249 1.175,1250 1.079,1251 1.53,1252 1.449,1253 0.649,1254 1.49,1255 4.344,1257 5.72,1258 2.398,1259 7.276,1260 4.844,1261 8.919,1262 6.986,1263 10.612,1265 6.466,1270 10.492,1271 3.883,1272 3.105,1275 -0.49,1276 5.094,1280 42.275,1281 114.809,1282 250.141,1283 349.612,1284 377.612,1285 379.612,1286 379.612,1287 109.338,1288 8.276,1289 111.95,1290 120.33,1291 23,1292 12.953,1293 3.585,1294 3.17,1295 59.719,1296 172,1297 155,1298 0.171,1299 261.73,1300 471.34,1301 630.382,1302 50331,1304 25.491,1305 0.728,1306 0.619,1307 25.741,1308 21.663,1309 16.451,1310 0.433,1311 0.371,1312 12.244,1313 14.996,1314 11.678,1315 9.655,1316 17.346,1317 14.104,1318 16.444,1319 0.288,1320 0.217,1321 17.873,1322 12.396,1323 12.826,1324 0.173,1325 0.117,1326 13.624,1327 8.663,1328 10.702,1329 0.109,1330 0.062,1331 10.98,1332 6.09,1333 8.588,1334 0.069,1335 0.036,1336 8.914,1337 4.472,1338 0.273,1339 112.467,1340 0.204,1341 32.279,1342 0.459,1343 190,1344 545.22,1345 244.01,1346 537.711,1347 714.57,1348 494,1349 226,1350 488.86,1351 285.078,1352 524.966,1353 764.38,1354 490,1355 7} {0 CHEMBL20963,1 1.532,2 16.111,3 4.376,4 19.15,5 137.789,6 7.373,7 0.59,8 4.279,9 4.391,10 3.838,11 3.791,12 5.414,13 3.778,14 4.792,15 4.97,16 4.168,17 4.143,18 5.869,19 4.12,20 4.947,21 5.11,22 4.22,23 4.291,24 6.046,25 4.239,26 5.104,27 5.322,28 4.192,29 4.324,30 6.143,31 4.243,32 5.097,33 5.309,34 4.111,35 4.287,36 6.111,37 4.202,38 5.009,39 5.232,40 4.05,41 4.241,42 5.998,43 4.141,44 4.987,45 5.217,46 4.038,47 4.182,48 5.987,49 4.088,50 4.969,51 5.192,52 4.005,53 4.098,54 6.041,55 4.032,56 0.076,57 0.93,58 13.57,59 6.03,60 11.004,61 7.764,62 0.385,63 1.443,64 25.805,65 9.437,66 30.652,67 12.535,68 0.436,69 1.659,70 29.622,71 11.52,72 39.893,73 15.037,74 0.388,75 1.85,76 36.805,77 13.543,78 54.863,79 18.573,80 0.598,81 1.759,82 37.63,83 13.413,84 63.751,85 17.753,86 0.465,87 1.692,88 33.546,89 12.504,90 49.005,91 17.357,92 0.392,93 1.638,94 33.109,95 12.21,96 46.113,97 17.039,98 0.445,99 1.564,100 33.311,101 10.929,102 57.86,103 14.881,104 44,105 54,106 0.241,107 0.563,108 0.731,109 0.82,110 0.848,111 0.848,112 3.615,113 0.894,114 -5.23,115 -5.12,116 -4.79,119 42.4,120 2,124 3,125 2,140 10,141 5,142 3,147 1,156 1,159 1,164 1,169 15,171 2,172 7,174 1,176 3,178 19,181 2,182 11,186 3,189 18,193 11,195 1,197 2,199 16,203 9,206 1,208 1,211 17,214 2,215 7,220 1,222 13,225 1,226 11,229 1,231 2,233 7,237 13,242 3,244 4,248 1,249 9,254 1,256 7,259 2602,260 24.11,261 24.11,262 24.11,263 24.11,264 24.11,265 21.274,266 23.848,267 14.128,268 24.663,269 19.168,270 19.168,271 19.168,272 19.168,273 19.168,274 14.797,275 28.985,276 6.628,277 19.931,278 4.512,279 2.472,280 1.402,281 0.838,282 0.663,283 0.663,284 4.307,289 1,290 1236,291 4,294 124.322,295 414.045,302 2.568,303 29.085,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 78,315 580,316 4.441,317 3.574,318 6.482,319 4.063,320 3.07,321 4.146,322 1.058,323 10.075,324 3.054,325 4.289,326 3.208,327 6.183,328 3.896,329 2.933,330 3.923,331 0.86,332 9.213,333 2.846,334 4.215,335 3.108,336 6.15,337 3.81,338 2.842,339 3.843,340 0.86,341 9.095,342 2.735,343 4.071,344 2.858,345 6.03,346 3.705,347 2.72,348 3.588,349 0.8,350 8.608,351 2.659,352 3.667,353 2.602,354 5.255,355 3.26,356 2.286,357 3.08,359 6.63,360 2.227,361 3.519,362 2.433,363 5.148,364 3.157,365 2.226,366 2.846,368 6.277,369 2.094,370 3.294,371 2.38,372 4.942,373 3.115,374 2.168,375 2.565,377 5.484,378 2.014,379 3.228,380 2.221,381 4.666,382 2.901,383 1.906,384 2.242,386 5.191,387 1.892,388 2.926,389 2.183,390 4.399,391 2.558,392 1.655,393 2.05,395 4.297,396 1.488,397 2.844,398 1.826,399 4.169,400 2.394,401 1.386,402 1.946,404 3.613,405 1.392,406 2.739,407 1.405,408 4.069,409 2.263,410 1.284,411 1.813,413 3.393,414 1.252,415 2.536,416 1.341,417 3.888,418 2.04,419 1.051,420 1.525,422 2.917,423 1.035,424 2.5,425 1.155,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.176,434 1.102,435 3.288,436 1.934,437 1,438 1.118,440 2.172,441 0.925,442 2.152,443 1,444 3.269,445 1.649,446 0.686,447 1.017,449 1.671,450 0.658,451 16.933,452 0.47,453 0.924,454 0.026,455 48.25,456 1.34,457 25,458 0.694,459 23.25,460 0.646,461 30.195,462 0.839,463 38.867,464 0.589,465 40.461,466 1.124,467 10.002,468 0.278,469 7.332,470 0.204,471 0.167,473 0.348,479 0.761,480 1.329,481 0.783,482 1.157,483 0.665,484 1.002,485 1.042,486 0.888,487 0.797,488 0.796,489 0.665,490 0.756,491 1.072,492 1.122,493 1.061,494 1.096,495 0.988,496 1.081,497 0.934,498 1.053,499 0.96,500 1.063,501 1.033,502 1.02,503 1.35,504 0.938,505 1.095,506 0.939,507 1.412,508 0.981,509 0.771,510 1.017,511 0.99,512 1.044,513 0.865,514 1.05,515 0.742,516 1.067,517 0.898,518 1.067,519 0.737,520 1.017,521 1.363,522 1.043,523 1.044,524 0.974,525 1.46,526 0.955,527 8,528 0.211,529 4.444,530 2.347,531 1.899,532 1.295,533 1.011,534 0.642,535 0.337,536 0.288,537 21928,538 58081,539 2.04,540 45.5,541 3,542 23,545 1,546 3,550 1.769,551 1.895,552 3.941,553 -0.383,559 101.117,560 1.532,561 3.572,562 4.643,563 5.207,564 5.381,565 5.381,566 3.423,567 4.871,568 5.138,569 4.146,570 2612.03,571 9.005,572 44456.8,577 398.93,578 1.459,579 5.092,580 0.205,581 0.006,582 0.082,583 0.043,584 0.037,585 0.027,586 0.022,587 0.015,588 0.008,589 0.008,590 0.454,591 0.17,592 0.88,593 1.237,594 201.318,595 0.056,596 -0.157,597 0.067,598 -0.089,599 -0.034,600 -0.023,601 0.008,602 0.205,603 0.151,604 0.2,605 0.1,606 0.201,607 -0.032,608 -0.051,609 -0.131,610 -0.073,611 -0.034,612 -0.111,613 -0.022,614 -0.052,615 0.004,616 -0.064,617 0.025,618 -0.028,619 -0.167,620 0.021,621 -0.097,622 0.058,623 -0.178,624 -0.002,625 0.052,626 -0.016,627 -0.036,628 -0.039,629 0.009,630 -0.048,631 0.094,632 -0.084,633 0.067,634 -0.068,635 0.138,636 -0.014,637 -0.161,638 -0.058,639 -0.029,640 -0.016,641 -0.031,643 1.87,644 5.889,645 0.639,646 49.784,647 1.003,648 1.125,649 4,650 15.998,651 0.663,652 3.689,653 4.007,654 4.248,655 4.477,656 4.663,657 4.762,658 4.905,659 4.99,660 5.037,661 5.153,662 9.263,663 0.633,664 486.62,665 3.689,666 5.231,667 6.071,668 6.94,669 7.796,670 8.669,671 9.532,672 10.407,673 11.274,674 12.15,675 6.1,678 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,712 2,714 66,716 24,717 3,718 39,720 69,721 28,722 20,723 8,724 10,725 1,730 4,731 4,736 2,745 21,746 7,750 1,755 1,759 1,764 30,765 8,766 1,767 8,773 4,777 1,778 4,792 1,793 3,815 1,819 4,823 5,827 36,833 2,834 1,835 2,838 1,847 6.1,850 1,852 3,854 19,855 13.6,856 7.972,857 3.732,858 4.071,859 1.502,860 0.964,861 8.162,862 12.184,863 3.961,864 4.562,865 5.134,866 5.698,867 6.192,868 6.487,869 6.922,870 7.283,871 7.636,872 8.047,873 0.909,874 55,875 13.256,877 5.46,878 7.704,879 25.236,881 19.891,883 2.204,884 79.333,888 341.362,889 188.011,890 57.517,892 56.879,895 188.011,896 398.241,897 57.517,898 45.326,899 24.709,900 94.762,901 71.252,902 66.358,904 341.362,906 341.362,907 245.528,908 56.879,911 343.69,912 56.879,915 50.504,916 156.314,917 36.382,919 341.362,920 114.396,921 188.011,924 341.362,925 47.922,926 143.213,927 18.011,928 93.261,929 341.362,930 114.396,931 188.011,933 0.581,934 0.332,935 0.173,936 0.09,937 24,938 12,939 0.13,940 9,942 1,943 4.712,944 327.966,946 23,947 180.117,951 25.582,952 11.486,953 6.394,955 114.396,956 18.899,957 8.272,959 5.082,961 7.549,963 18.011,964 643.769,965 51.5,970 12.889,974 -0.203,975 66.203,976 74.228,977 0.253,978 0.591,979 0.768,980 0.861,981 0.89,982 0.89,983 5.192,984 1.906,985 6.057,986 5.484,987 4.691,988 5.25,989 1.968,990 6.845,991 4.625,992 6.401,993 1.655,994 7.606,995 5.191,996 4.29,997 5.037,998 0.325,999 7.703,1000 4.206,1001 7.704,1002 1.386,1003 9.251,1004 4.297,1005 6.271,1006 7.431,1007 1.818,1008 10.76,1009 6.156,1010 9.042,1011 1.284,1012 10.952,1013 3.613,1014 6.661,1015 8.017,1016 0.268,1017 12.422,1018 6.531,1019 10.408,1020 1.051,1021 12.687,1022 3.393,1023 8.115,1024 9.882,1025 1.74,1026 14.986,1027 7.963,1028 11.796,1029 1,1030 14.447,1031 2.917,1032 8.866,1033 10.844,1034 0.188,1035 16.981,1036 8.701,1037 13.199,1038 1,1039 16.224,1040 2.275,1041 10.105,1042 12.474,1043 1.707,1044 19.365,1045 9.925,1046 3.07,1047 0.686,1048 18.015,1049 2.172,1050 11.03,1051 13.63,1052 0.125,1053 21.508,1054 10.837,1055 2.933,1056 10.075,1057 19.815,1058 1.671,1059 12.178,1060 15.144,1061 1.708,1062 23.821,1063 11.973,1064 2.842,1065 9.213,1066 21.623,1067 4.146,1068 13.188,1069 16.404,1070 0.082,1071 26.031,1072 12.97,1073 2.72,1074 9.095,1075 23.437,1076 3.923,1077 14.298,1078 17.859,1079 1.735,1080 28.318,1081 14.07,1082 2.286,1083 8.608,1084 25.257,1085 3.843,1086 15.349,1087 19.178,1088 0.054,1089 30.561,1090 15.111,1091 2.226,1092 6.63,1093 27.08,1094 3.588,1095 16.446,1096 20.602,1097 1.783,1098 32.84,1099 16.198,1100 2.168,1101 6.277,1102 28.907,1103 3.08,1104 17.517,1105 21.954,1106 0.035,1107 35.101,1108 17.261,1109 21054,1110 34473,1111 25.66,1112 43.739,1113 58.541,1114 59.292,1115 60.083,1116 57.709,1117 57.699,1118 75.841,1119 7.157,1120 164.094,1121 55.665,1122 5.32,1123 5.574,1124 6.038,1125 5.12,1126 5.07,1127 7.146,1128 2.117,1129 16.894,1130 5.054,1131 20.78,1132 1.501,1133 1.52,1134 1.541,1135 1.48,1136 1.479,1137 1.945,1138 0.184,1139 4.208,1140 1.427,1141 4.059,1142 4.082,1143 4.017,1144 3.999,1145 7.429,1146 3.998,1147 3.933,1148 3.954,1149 3.892,1150 3.832,1151 5.295,1152 3.842,1153 3.855,1154 3.88,1155 3.816,1156 3.749,1157 4.928,1158 3.754,1159 3.689,1160 3.746,1161 3.636,1162 3.467,1163 4.786,1164 3.51,1165 3.658,1166 3.715,1167 3.512,1168 3.432,1169 4.547,1170 3.439,1171 3.351,1172 3.393,1173 3.28,1174 3.118,1175 4.482,1176 3.151,1177 3.231,1178 3.305,1179 3.037,1180 3.029,1181 4.367,1182 3.01,1183 3.181,1184 3.26,1185 3.028,1186 2.974,1187 4.21,1188 2.971,1189 0.114,1190 0.092,1191 0.166,1192 0.104,1193 0.079,1194 4.441,1195 0.106,1196 3.574,1197 0.027,1198 6.482,1199 0.258,1200 4.063,1201 0.078,1202 3.07,1203 4.146,1204 1.058,1205 10.075,1206 3.054,1207 2.013,1208 1.994,1209 2.098,1210 2.077,1211 1.245,1212 2.084,1213 1.883,1214 1.864,1215 1.976,1216 2.006,1217 1.116,1218 1.997,1219 1.791,1220 1.769,1221 1.904,1222 1.891,1223 1.05,1224 1.896,1225 1.612,1226 1.53,1227 1.87,1228 1.857,1229 1.001,1230 1.866,1231 1.439,1232 1.384,1233 1.696,1234 1.699,1235 0.736,1236 1.688,1237 1.277,1238 1.238,1239 1.573,1240 1.554,1241 0.696,1242 1.55,1243 1.235,1244 1.17,1245 1.559,1246 1.494,1247 0.621,1248 1.513,1249 1.199,1250 1.116,1251 1.552,1252 1.479,1253 0.576,1254 1.496,1255 4.369,1257 5.687,1258 2.398,1259 7.186,1260 4.595,1261 8.769,1262 6.555,1263 10.397,1265 9.36,1271 1.28,1272 2.94,1273 11.232,1276 2.034,1280 41.793,1281 101.117,1282 235.781,1283 306.427,1284 343.646,1285 355.156,1286 355.156,1287 64.535,1288 8.113,1289 89.72,1290 89.72,1291 23,1292 12.691,1293 4.644,1294 3.755,1295 62.577,1296 202,1297 190,1298 0.149,1299 257.816,1300 447.4,1301 620.831,1302 43079,1304 25.656,1305 0.713,1306 0.588,1307 25.656,1308 21.162,1309 17.334,1310 0.444,1311 0.298,1312 11.424,1313 16.538,1314 10.955,1315 9.218,1316 17.334,1317 11.625,1318 15.713,1319 0.291,1320 0.161,1321 15.713,1322 8.716,1323 12.739,1324 0.185,1325 0.082,1326 12.739,1327 5.688,1328 10.447,1329 0.12,1330 0.043,1331 10.447,1332 3.753,1333 7.962,1334 0.076,1335 0.023,1336 7.962,1337 2.427,1338 0.243,1339 109.564,1340 0.197,1341 33.774,1342 0.383,1343 186,1344 574.21,1345 205.589,1346 547.618,1347 751.32,1348 514,1349 216,1350 560.138,1351 236.202,1352 567.197,1353 818.98,1354 528,1355 7.5} {0 CHEMBL209821,1 1.526,2 15.645,3 3.079,4 9.478,5 126.239,6 6.532,7 0.182,8 4.291,9 4.428,10 3.87,11 3.794,12 5.152,13 3.718,14 4.922,15 5.131,16 4.106,17 4.203,18 5.944,19 4.091,20 5.255,21 5.517,22 4.1,23 4.386,24 6.064,25 4.218,26 5.287,27 5.563,28 4.082,29 4.384,30 6.082,31 4.187,32 5.27,33 5.548,34 4.017,35 4.295,36 6.163,37 4.12,38 5.159,39 5.434,40 3.87,41 4.169,42 6.044,43 4.003,44 5.062,45 5.352,46 3.74,47 4.075,48 5.875,49 3.888,50 4.978,51 5.266,52 3.72,53 4.044,54 5.733,55 3.845,56 0.116,57 1.026,58 20.637,59 6.796,60 12.797,61 9.711,62 0.486,63 1.637,64 35.64,65 11.41,66 64.013,67 16.669,68 0.559,69 1.998,70 49.468,71 15.383,72 61.123,73 22.239,74 0.443,75 1.983,76 52.75,77 17.173,78 54.573,79 23.87,80 0.62,81 1.858,82 52.204,83 15.271,84 79.372,85 21.652,86 0.597,87 1.67,88 45.416,89 12.694,90 71.796,91 19.068,92 0.59,93 1.512,94 38.933,95 11.584,96 58.321,97 17.506,98 0.37,99 1.414,100 38.368,101 12.191,102 37.628,103 17.126,104 19,105 44,106 0.243,107 0.473,108 0.679,109 0.812,110 0.839,111 0.839,112 3.47,113 1.217,114 -3.25,115 -3.24,116 -3.1,119 33.3,120 1,121 7,122 1,125 7,140 4,142 2,156 1,169 9,171 1,172 4,174 3,176 4,178 9,181 1,182 4,186 3,189 4,193 9,195 1,197 3,199 2,203 10,206 1,208 2,211 2,214 1,215 6,220 1,222 4,225 2,226 1,229 1,233 6,237 1,240 1,244 6,248 1,249 3,254 1,256 3,259 1774,260 20.637,261 20.637,262 20.637,263 20.637,264 20.637,265 19.393,266 24.401,267 12.611,268 21.027,269 16.359,270 16.359,271 16.359,272 16.359,273 16.359,274 14.373,275 33.537,276 6.072,277 17.005,278 4.583,279 3.147,280 1.853,281 1.018,282 0.852,283 0.852,284 4.154,288 1,289 1,290 1021,291 4.301,295 373.393,302 2.477,303 32.708,306 1,307 0.67,308 0.83,309 1,310 1,311 1,312 1,313 0.93,314 67,315 485,316 4.69,317 4.47,318 6.741,319 4.142,320 3.215,321 4.477,322 1.907,323 11.044,324 2.953,325 4.183,326 3.534,327 6.175,328 3.864,329 2.915,330 3.736,331 0.8,332 9.203,333 2.77,334 3.736,335 3.152,336 5.431,337 3.507,338 2.557,339 2.933,340 0.8,341 7.226,342 2.425,343 3.489,344 2.761,345 5.296,346 3.399,347 2.4,348 2.573,349 0.149,350 6.806,351 2.396,352 3.434,353 2.426,354 5.273,355 3.298,356 2.352,357 2.44,359 6.735,360 2.222,361 3.282,362 2.405,363 4.51,364 2.938,365 1.931,366 2.402,368 4.738,369 1.926,370 2.78,371 1.816,372 4.195,373 2.629,374 1.648,375 1.851,377 3.828,378 1.612,379 2.655,380 1.62,381 3.837,382 2.435,383 1.439,384 1.669,386 3.339,387 1.433,388 2.475,389 1.443,390 3.61,391 2.37,392 1.395,393 1.47,395 3.046,396 1.354,397 2.442,398 1.191,399 3.477,400 2.106,401 1.118,402 1.435,404 2.535,405 1.103,406 2,407 1.146,408 3.414,409 2,410 1,411 1,413 2.275,414 1,415 2,416 1.089,417 3.345,418 1.967,419 1,420 1,422 2.136,423 0.965,424 1.869,425 1,426 3.247,427 1.77,428 0.817,429 0.842,431 1.818,432 0.775,433 1.186,434 0.642,435 2.932,436 1.007,437 0.055,438 0.056,440 0.134,441 0.052,442 1.091,443 0.602,444 2.669,445 0.829,446 -0.139,447 -0.15,449 -0.356,450 -0.132,451 14.933,452 0.482,453 0.761,454 0.025,455 31,456 1,457 11.5,458 0.371,459 19.5,460 0.629,461 34.056,462 1.099,463 37.267,464 0.54,465 21.48,466 0.693,467 5.132,468 0.166,469 9.779,470 0.315,471 0.1,472 0.056,473 0.188,479 0.599,480 1.65,481 0.958,482 1.429,483 0.589,484 1.213,485 0.704,486 1.312,487 1.091,488 1.202,489 0.445,490 1.154,491 1.122,492 0.975,493 1.1,494 0.99,495 0.979,496 1.036,497 0.815,498 1.09,499 1.089,500 1.155,501 0.801,502 1.054,503 1.287,504 0.963,505 1.141,506 1.015,507 1.336,508 0.953,509 1.28,510 1.048,511 1.097,512 1.016,513 1.303,514 1.01,515 1.043,516 0.865,517 0.901,518 0.82,519 1.009,520 0.96,521 0.849,522 0.936,523 1.048,524 1.04,525 0.807,526 0.973,527 7,528 0.136,529 2.444,530 1.688,531 1.236,532 0.813,533 0.543,534 0.365,535 0.217,536 0.177,537 15635,538 35535,539 2.023,540 55.1,541 10,542 18,545 2,546 3,547 5,550 1.727,551 1.908,552 3.893,553 0.225,559 105.27,560 1.526,561 2.961,562 4.256,563 5.09,564 5.257,565 5.257,566 3.361,567 4.567,568 4.927,569 4.116,570 1913.97,571 8.551,572 30648.1,577 421.488,578 1.407,579 4.885,580 0.212,581 0.006,582 0.056,583 0.041,584 0.032,585 0.022,586 0.017,587 0.014,588 0.008,589 0.007,590 0.415,591 0.33,592 1,593 0.861,594 168.155,595 0.096,596 -0.234,597 0.206,598 -0.088,599 -0.073,600 -0.002,601 0.195,602 -0.093,603 -0.045,604 -0.096,605 0.257,606 -0.086,607 -0.141,608 0.075,609 -0.094,610 0.015,611 -0.084,612 -0.04,613 0.005,614 -0.095,615 -0.015,616 -0.074,617 0.011,618 -0.034,619 -0.112,620 0.001,621 -0.053,622 -0.003,623 -0.094,624 0.012,625 -0.104,626 -0.08,627 -0.093,628 -0.065,629 -0.098,630 -0.056,631 -0.024,632 0.088,633 -0.023,634 0.047,635 -0.067,636 -0.022,637 -0.008,638 0.035,639 0.002,640 -0.005,641 -0.01,642 0.021,643 4.049,644 5.267,645 0.581,646 39.136,647 0.993,648 1.139,649 2.016,650 4.064,651 0.623,652 3.526,653 3.807,654 3.932,655 4.143,656 4.304,657 4.263,658 4.331,659 4.382,660 4.317,661 4.369,662 9.168,663 0.571,664 450.72,665 3.526,666 5.043,667 5.838,668 6.688,669 7.498,670 8.353,671 9.17,672 10.025,673 10.847,674 11.703,675 5.8,677 1,678 1,681 1,682 1,688 4,693 2,695 6,709 1,714 69,716 9,717 1,718 33,720 71,721 23,722 6,723 2,724 4,730 3,731 3,736 1,740 5,741 1,743 7,745 7,746 16,747 1,750 3,753 1,755 3,759 1,764 38,765 7,766 2,767 8,768 1,773 4,777 1,778 3,793 3,805 1,815 1,819 3,821 1,823 1,827 31,830 1,833 14,834 2,837 1,838 2,847 4.3,850 3,854 16.25,855 11.983,856 6.861,857 4.578,858 1.223,859 1.167,860 0.95,861 9.486,862 8.533,863 3.689,864 4.151,865 4.36,866 4.776,867 5.138,868 5.172,869 5.368,870 5.52,871 5.421,872 5.568,873 1,874 41,875 11.753,877 5.048,878 7.702,879 23.014,881 19.386,883 2.202,884 68.25,888 423.76,889 94.031,890 40.664,892 69.458,894 5.807,895 88.224,896 493.218,897 40.664,898 8.825,899 49.286,900 60.117,901 74.163,902 11.762,904 423.76,906 423.76,907 128.888,908 69.458,909 5.807,911 364.904,912 128.313,915 77.641,916 51.247,917 5.807,919 423.76,920 110.122,921 94.031,923 5.807,924 423.76,925 41.494,926 52.979,927 34.416,928 69.458,929 423.76,930 110.122,931 94.031,933 0.57,934 0.298,935 0.159,936 0.087,937 18,938 8,939 0.141,940 10,942 1,943 4.442,944 247.943,946 18,947 141.58,950 1,951 24.346,952 12.079,953 8.628,955 110.122,956 7.99,961 1.969,963 34.416,964 627.913,965 39,968 -3.132,970 35.8,974 -0.057,975 68.487,976 78.6,977 0.25,978 0.485,979 0.697,980 0.833,981 0.861,982 0.861,983 4.931,984 1.439,985 5.82,986 3.828,987 4.489,988 4.836,989 2.194,990 6.569,991 4.408,992 6.09,993 1.395,994 7.34,995 3.339,996 4.111,997 4.868,998 1.738,999 7.6,1000 3.944,1001 7.393,1002 1.118,1003 8.969,1004 3.046,1005 6.071,1006 6.948,1007 2.953,1008 10.528,1009 5.875,1010 8.735,1011 1,1012 10.667,1013 2.535,1014 6.494,1015 7.843,1016 3.061,1017 12.399,1018 6.184,1019 10.12,1020 1,1021 12.411,1022 2.275,1023 7.955,1024 9.509,1025 4.047,1026 14.914,1027 7.616,1028 11.534,1029 0.817,1030 14.187,1031 2.136,1032 8.751,1033 10.75,1034 4.414,1035 17.102,1036 8.291,1037 12.971,1038 0.055,1039 15.987,1040 1.818,1041 10.01,1042 12.294,1043 5.252,1044 19.509,1045 9.509,1046 3.215,1047 -0.139,1048 17.806,1049 0.134,1050 10.987,1051 13.673,1052 5.75,1053 21.818,1054 10.37,1055 2.915,1056 11.044,1057 19.638,1058 -0.356,1059 12.167,1060 15.179,1061 6.502,1062 24.202,1063 11.492,1064 2.557,1065 9.203,1066 21.481,1067 4.477,1068 13.232,1069 16.617,1070 7.068,1071 26.559,1072 12.449,1073 2.4,1074 7.226,1075 23.334,1076 3.736,1077 14.384,1078 18.111,1079 7.771,1080 28.942,1081 13.53,1082 2.352,1083 6.806,1084 25.194,1085 2.933,1086 15.491,1087 19.577,1088 8.374,1089 31.319,1090 14.537,1091 1.931,1092 6.735,1093 27.061,1094 2.573,1095 16.636,1096 21.069,1097 9.051,1098 33.707,1099 15.603,1100 1.648,1101 4.738,1102 28.933,1103 2.44,1104 17.766,1105 22.548,1106 9.674,1107 36.094,1108 16.636,1109 15152,1110 23009,1111 21.841,1112 42.978,1113 47.347,1114 49.838,1115 48.306,1116 47.714,1117 47.685,1118 55.771,1119 7.312,1120 129.724,1121 45.973,1122 5.69,1123 6.47,1124 6.543,1125 5.209,1126 5.215,1127 7.477,1128 3.306,1129 17.374,1130 4.953,1131 15.421,1132 1.435,1133 1.51,1134 1.464,1135 1.446,1136 1.445,1137 1.69,1138 0.222,1139 3.931,1140 1.393,1141 4.045,1142 4.059,1143 4.722,1144 3.998,1145 7.716,1146 3.903,1147 3.964,1148 3.995,1149 3.909,1150 3.863,1151 7.43,1152 3.854,1153 3.796,1154 3.855,1155 3.687,1156 3.677,1157 6.999,1158 3.641,1159 3.761,1160 3.798,1161 3.669,1162 3.611,1163 4.762,1164 3.593,1165 3.57,1166 3.623,1167 3.452,1168 3.412,1169 4.347,1170 3.394,1171 3.495,1172 3.544,1173 3.371,1174 3.283,1175 4.261,1176 3.3,1177 3.185,1178 3.278,1179 3.007,1180 2.993,1181 4.132,1182 2.978,1183 3.111,1184 3.206,1185 2.931,1186 2.941,1187 3.98,1188 2.91,1189 0.142,1190 0.135,1191 0.204,1192 0.126,1193 0.097,1194 4.69,1195 0.136,1196 4.47,1197 0.058,1198 6.741,1199 0.335,1200 4.142,1201 0.089,1202 3.215,1203 4.477,1204 1.907,1205 11.044,1206 2.953,1207 1.931,1208 1.91,1209 2.109,1210 2.075,1211 1.531,1212 2.101,1213 1.923,1214 1.887,1215 2.056,1216 2.053,1217 1.363,1218 2.071,1219 1.772,1220 1.717,1221 1.968,1222 1.948,1223 1.237,1224 1.965,1225 1.679,1226 1.651,1227 1.853,1228 1.865,1229 1.094,1230 1.894,1231 1.535,1232 1.488,1233 1.701,1234 1.717,1235 1.042,1236 1.755,1237 1.438,1238 1.385,1239 1.629,1240 1.668,1241 0.825,1242 1.683,1243 1.185,1244 1.099,1245 1.513,1246 1.428,1247 0.825,1248 1.46,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.785,1254 1.429,1255 4.205,1257 5.493,1259 6.957,1261 8.5,1263 10.083,1265 1.521,1271 13.365,1272 5.648,1275 0.349,1276 4.798,1280 39.373,1281 105.27,1282 204.327,1283 293.656,1284 351.224,1285 362.733,1286 362.733,1287 78.492,1288 7.311,1289 81.75,1290 90.13,1291 18,1292 12.264,1293 3.322,1294 2.807,1295 58.905,1296 174,1297 147,1298 0.161,1299 247.801,1300 436.8,1301 596.395,1302 17177,1304 22.106,1305 0.713,1306 0.633,1307 22.356,1308 19.63,1309 14.911,1310 0.452,1311 0.406,1312 11.742,1313 13.608,1314 11.334,1315 9.396,1316 15.764,1317 13.387,1318 13.675,1319 0.311,1320 0.245,1321 14.984,1322 10.799,1323 9.718,1324 0.194,1325 0.157,1326 10.566,1327 7.861,1328 8.078,1329 0.13,1330 0.099,1331 8.924,1332 6.152,1333 6.224,1334 0.085,1335 0.062,1336 6.894,1337 4.542,1338 0.268,1339 101.599,1340 0.214,1341 30.405,1342 0.4,1343 154,1344 406.023,1345 201.999,1346 408.225,1347 539.64,1348 376,1349 171,1350 356.674,1351 225.936,1352 391.173,1353 557.43,1354 366,1355 5.699} {0 CHEMBL2111779,1 1.442,2 13.103,3 3.508,4 12.303,5 117.617,6 7.176,7 0.581,8 4.057,9 4.178,10 3.591,11 3.614,12 5.184,13 3.583,14 4.548,15 4.73,16 3.877,17 3.959,18 5.608,19 3.909,20 4.725,21 4.904,22 3.939,23 4.113,24 5.792,25 4.03,26 4.874,27 5.112,28 3.862,29 4.104,30 5.873,31 3.991,32 4.789,33 5.013,34 3.82,35 4.04,36 5.823,37 3.931,38 4.757,39 4.996,40 3.776,41 3.952,42 5.788,43 3.847,44 4.633,45 4.848,46 3.718,47 3.883,48 5.646,49 3.792,50 4.716,51 4.954,52 3.638,53 3.851,54 5.755,55 3.753,56 0.03,57 0.745,58 11.143,59 4.885,60 9.141,61 6.501,62 0.243,63 1.161,64 20.175,65 7.501,66 23.476,67 10.222,68 0.136,69 1.349,70 23.697,71 9.875,72 27.616,73 13.294,74 0.249,75 1.464,76 29.763,77 11.492,78 43.788,79 15.843,80 0.181,81 1.358,82 26.802,83 10.666,84 41.314,85 14.627,86 0.445,87 1.307,88 26.868,89 9.735,90 50.447,91 13.631,92 0.163,93 1.202,94 22.695,95 8.461,96 27.794,97 11.712,98 0.48,99 1.228,100 26.47,101 8.813,102 52.893,103 11.84,104 24,105 41,106 0.238,107 0.562,108 0.742,109 0.817,110 0.826,111 0.826,112 3.407,113 0.907,114 -4.06,115 -4.01,116 -3.8,119 44.4,124 3,125 1,134 2,140 9,141 4,142 2,143 2,156 1,169 13,172 6,174 1,176 3,178 15,182 7,186 4,189 13,193 8,197 3,199 9,203 6,208 2,211 7,214 2,215 6,218 1,220 3,222 9,226 2,233 9,236 1,237 4,240 2,244 10,249 2,256 9,259 1476,260 19.646,261 19.646,262 19.646,263 19.646,264 19.646,265 17.236,266 17.685,267 11.844,268 20.038,269 15.247,270 15.247,271 15.247,272 15.247,273 15.247,274 11.599,275 21.648,276 5.559,277 15.737,278 4.313,279 2.346,280 1.251,281 0.797,282 0.746,283 0.746,284 4.091,288 1,289 1,290 798,291 3.742,295 328.59,302 2.114,303 18.442,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 61.5,315 380,316 4.348,317 3.577,318 6.249,319 3.966,320 2.977,321 4,322 1.058,323 9.407,324 2.944,325 4.243,326 3.037,327 6.143,328 3.862,329 2.867,330 3.888,331 0.916,332 9.056,333 2.855,334 3.955,335 2.87,336 5.921,337 3.609,338 2.629,339 3.378,340 0.86,341 8.268,342 2.568,343 3.712,344 2.647,345 5.301,346 3.293,347 2.307,348 3.164,349 0.172,350 6.784,351 2.271,352 3.322,353 2.459,354 4.666,355 3.137,356 2.219,357 2.577,359 5.191,360 2.036,361 3.256,362 2.042,363 4.466,364 2.775,365 1.81,366 2.408,368 4.549,369 1.745,370 3.001,371 1.827,372 4.408,373 2.615,374 1.656,375 2.087,377 4.31,378 1.582,379 2.813,380 1.798,381 4.048,382 2.325,383 1.332,384 1.864,386 3.383,387 1.309,388 2.615,389 1.302,390 3.498,391 2.086,392 1.118,393 1.645,395 2.664,396 1.077,397 2.509,398 1.191,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.047,408 3.288,409 1.987,410 1,411 1.5,413 2.172,414 0.985,415 2.5,416 1,417 3.247,418 1.984,419 1,420 1.387,422 2.136,423 0.983,424 1.744,425 1,426 2.932,427 1.46,428 0.566,429 0.642,431 0.988,432 0.5,433 1.323,434 0.519,435 2.704,436 0.946,437 -0.041,438 -0.052,440 -0.095,441 -0.04,442 1.08,443 0.219,444 2.393,445 0.864,446 -0.09,447 -0.103,449 -0.187,450 -0.086,451 13.867,452 0.478,453 0.609,454 0.021,455 40,456 1.379,457 22,458 0.759,459 18,460 0.621,461 20.539,462 0.708,463 30.533,464 0.565,465 31.324,466 1.08,467 8.459,468 0.292,469 5.604,470 0.193,471 0.132,473 0.281,479 0.797,480 1.303,481 0.825,482 1.097,483 0.64,484 0.982,485 1.171,486 0.863,487 0.929,488 0.786,489 0.702,490 0.809,491 0.961,492 1.172,493 1.056,494 1.184,495 0.914,496 1.14,497 1.037,498 0.941,499 0.944,500 0.967,501 1.101,502 0.951,503 0.969,504 1.119,505 0.966,506 1.109,507 1.302,508 1.056,509 0.938,510 0.948,511 0.924,512 0.911,513 1.154,514 0.919,515 1.105,516 1.219,517 1.046,518 1.152,519 1.042,520 1.097,521 1.778,522 0.67,523 1.161,524 0.777,525 1.773,526 0.879,527 5.5,528 0.136,529 3.111,530 1.375,531 1.267,532 0.951,533 0.585,534 0.443,535 0.34,536 0.11,537 11433,538 28668,539 2.033,540 46.3,542 22,544 2,545 1,550 1.717,551 1.912,552 3.677,553 -0.405,555 1,559 77.874,560 1.442,561 3.409,562 4.504,563 4.958,564 5.009,565 5.009,566 3.142,567 4.375,568 4.825,569 3.852,570 1563.84,571 8.391,572 22253.8,574 1,576 1,577 310.764,578 1.358,579 4.792,580 0.177,581 0.006,582 0.076,583 0.033,584 0.033,585 0.026,586 0.017,587 0.014,588 0.012,589 0.004,590 0.399,591 0.5,592 1,593 1.33,594 150.407,595 -0.007,596 -0.166,597 0.049,598 -0.069,599 -0.048,600 -0.015,601 -0.082,602 0.24,603 0.023,604 0.188,605 0.023,606 0.134,607 -0.07,608 -0.137,609 -0.133,610 -0.168,611 -0.007,612 -0.158,613 -0.049,614 0.011,615 0.038,616 0.03,617 -0.001,618 0.043,619 -0.013,620 -0.163,621 0.002,622 -0.103,623 -0.034,624 -0.059,625 0.217,626 0.023,627 0.08,628 0.061,629 0.076,630 0.053,631 -0.057,632 -0.2,633 -0.074,634 -0.179,635 -0.039,636 -0.135,637 -0.154,638 0.314,639 -0.108,640 0.16,641 -0.15,642 0.051,643 1.827,644 5.71,645 0.621,646 34.507,647 0.994,648 1.12,649 2.835,650 8.036,651 0.672,652 3.466,653 3.738,654 3.951,655 4.143,656 4.357,657 4.382,658 4.477,659 4.5,660 4.543,661 4.564,662 7.643,663 0.635,664 387.52,665 3.466,666 4.977,667 5.796,668 6.642,669 7.48,670 8.333,671 9.179,672 10.034,673 10.884,674 11.741,675 5.6,678 1,682 1,685 1,688 11,689 1,693 6,695 18,702 1,712 1,714 54,716 20,717 2,718 31,720 56,721 24,722 17,723 5,724 7,725 3,730 3,731 3,745 20,746 4,750 2,755 1,757 2,759 1,761 1,764 25,765 5,766 1,767 5,773 3,777 1,778 2,786 1,793 3,810 2,815 1,819 3,823 3,827 29,833 1,834 1,835 1,838 1,847 3.7,850 1,852 1,854 15.167,855 10.567,856 6.583,857 2.946,858 3.48,859 1.478,860 0.967,861 7.041,862 10.755,863 3.761,864 4.311,865 4.862,866 5.402,867 5.949,868 6.128,869 6.488,870 6.737,871 7.031,872 7.319,873 0.889,874 42,875 10.667,877 4.32,878 7.678,879 20.382,881 15.861,883 2.178,884 63.167,886 1,887 1,888 282.506,889 177.562,890 37.921,892 36.145,895 177.562,896 318.651,897 37.921,898 27.676,899 20.116,900 104.239,901 70.177,902 52.962,904 258.964,906 282.506,907 215.483,908 36.145,911 282.506,912 36.145,915 41.336,916 138.409,917 35.738,919 282.506,920 74.065,921 177.562,924 282.506,925 27.553,926 153.134,927 18.011,928 52.93,929 282.506,930 74.065,931 177.562,933 0.567,934 0.32,935 0.166,936 0.091,937 17,938 8,939 0.125,940 7,942 1,943 4.138,944 236.297,946 18,947 130.881,951 20.626,952 9.899,953 5.689,955 74.065,956 20.614,957 4.035,961 5.084,963 18.011,964 534.134,965 42,970 12.71,972 4.01,974 -0.161,975 53.68,976 60.481,977 0.251,978 0.592,979 0.783,980 0.862,981 0.87,982 0.87,983 4.959,984 1.332,985 5.753,986 4.31,987 4.419,988 4.997,989 1.828,990 6.497,991 4.369,992 6.146,993 1.118,994 7.272,995 3.383,996 3.892,997 4.605,998 0.325,999 7.286,1000 3.83,1001 7.424,1002 1,1003 8.89,1004 2.664,1005 5.948,1006 7.125,1007 1.716,1008 10.329,1009 5.866,1010 8.737,1011 1,1012 10.568,1013 2.275,1014 6.236,1015 7.548,1016 0.393,1017 11.942,1018 6.151,1019 10.081,1020 1,1021 12.283,1022 2.172,1023 7.742,1024 9.521,1025 1.672,1026 14.477,1027 7.642,1028 11.447,1029 0.566,1030 14.025,1031 2.136,1032 8.417,1033 10.351,1034 0.384,1035 16.425,1036 8.317,1037 12.83,1038 -0.041,1039 15.785,1040 0.988,1041 9.681,1042 12.056,1043 1.667,1044 18.771,1045 9.569,1046 2.977,1047 -0.09,1048 17.558,1049 -0.095,1050 10.55,1051 13.112,1052 0.351,1053 20.865,1054 10.438,1055 2.867,1056 9.407,1057 19.34,1058 -0.187,1059 11.704,1060 14.672,1061 1.688,1062 23.135,1063 11.582,1064 2.629,1065 9.056,1066 21.13,1067 4,1068 12.672,1069 15.858,1070 0.312,1071 25.295,1072 12.547,1073 2.307,1074 8.268,1075 22.925,1076 3.888,1077 13.776,1078 17.336,1079 1.729,1080 27.534,1081 13.643,1082 2.219,1083 6.784,1084 24.724,1085 3.378,1086 14.794,1087 18.598,1088 0.273,1089 29.725,1090 14.656,1091 1.81,1092 5.191,1093 26.527,1094 3.164,1095 15.877,1096 20.031,1097 1.786,1098 31.952,1099 15.731,1100 1.656,1101 4.549,1102 28.333,1103 2.577,1104 16.921,1105 21.339,1106 0.236,1107 34.158,1108 16.769,1109 11195,1110 17870,1111 20.572,1112 36.302,1113 45.809,1114 46.49,1115 46.508,1116 44.953,1117 44.962,1118 60.08,1119 6.014,1120 122.366,1121 43.707,1122 5.178,1123 5.577,1124 6.051,1125 5.001,1126 4.977,1127 7,1128 2.117,1129 15.817,1130 4.944,1131 14.537,1132 1.478,1133 1.5,1134 1.5,1135 1.45,1136 1.45,1137 1.938,1138 0.194,1139 3.947,1140 1.41,1141 4.021,1142 4.048,1143 3.973,1144 3.951,1145 7.429,1146 3.952,1147 3.936,1148 3.958,1149 3.888,1150 3.877,1151 4.936,1152 3.876,1153 3.732,1154 3.78,1155 3.665,1156 3.619,1157 4.853,1158 3.623,1159 3.659,1160 3.732,1161 3.533,1162 3.485,1163 4.689,1164 3.486,1165 3.385,1166 3.424,1167 3.314,1168 3.176,1169 4.431,1170 3.196,1171 3.28,1172 3.347,1173 3.11,1174 3.06,1175 4.318,1176 3.07,1177 3.131,1178 3.204,1179 2.966,1180 2.882,1181 4.078,1182 2.889,1183 2.874,1184 3.009,1185 2.76,1186 2.735,1187 3.938,1188 2.715,1189 0.14,1190 0.115,1191 0.202,1192 0.128,1193 0.096,1194 4.348,1195 0.129,1196 3.577,1197 0.034,1198 6.249,1199 0.303,1200 3.966,1201 0.095,1202 2.977,1203 4,1204 1.058,1205 9.407,1206 2.944,1207 1.976,1208 1.953,1209 2.066,1210 2.064,1211 1.172,1212 2.066,1213 1.926,1214 1.908,1215 2.02,1216 2.012,1217 1.147,1218 2.015,1219 1.704,1220 1.664,1221 1.864,1222 1.867,1223 0.998,1224 1.871,1225 1.627,1226 1.56,1227 1.825,1228 1.828,1229 0.853,1230 1.831,1231 1.328,1232 1.268,1233 1.593,1234 1.557,1235 0.665,1236 1.553,1237 1.234,1238 1.175,1239 1.574,1240 1.508,1241 0.577,1242 1.539,1243 1.079,1244 1.008,1245 1.417,1246 1.348,1247 0.469,1248 1.339,1249 0.934,1250 0.821,1251 1.27,1252 1.239,1253 0.311,1254 1.308,1255 4.143,1257 5.425,1259 6.901,1261 8.462,1263 10.068,1265 5.638,1271 0.809,1272 2.951,1273 5.41,1276 2.065,1280 34.289,1281 77.874,1282 184.075,1283 243.215,1284 267.744,1285 270.499,1286 270.499,1287 48.548,1288 7.274,1289 54.46,1290 54.46,1291 18,1292 12.295,1293 4.392,1294 3.585,1295 52.677,1296 132,1297 127,1298 0.191,1299 214.98,1300 375.52,1301 516.312,1302 14579,1304 20.64,1305 0.712,1306 0.584,1307 20.64,1308 16.924,1309 14.063,1310 0.454,1311 0.302,1312 9.247,1313 13.58,1314 8.888,1315 7.517,1316 14.063,1317 9.377,1318 12.218,1319 0.298,1320 0.168,1321 12.218,1322 6.889,1323 9.779,1324 0.192,1325 0.087,1326 9.779,1327 4.416,1328 7.778,1329 0.125,1330 0.047,1331 7.778,1332 2.89,1333 6.172,1334 0.08,1335 0.024,1336 6.172,1337 1.876,1338 0.308,1339 87.76,1340 0.22,1341 28.137,1342 0.502,1343 144,1344 407.094,1345 153.95,1346 398.966,1347 542.7,1348 374,1349 164,1350 389.956,1351 174.146,1352 405.321,1353 579.26,1354 376,1355 6.772} {0 CHEMBL2112307,1 1.54,2 13.355,3 3.536,4 12.503,5 118.608,6 7.509,7 0.457,8 4.136,9 4.243,10 3.715,11 3.697,12 5.221,13 3.682,14 4.707,15 4.862,16 4.096,17 4.123,18 5.785,19 4.088,20 4.981,21 5.172,22 4.168,23 4.288,24 6.004,25 4.22,26 5.068,27 5.276,28 4.107,29 4.299,30 6.093,31 4.197,32 5.093,33 5.347,34 3.926,35 4.223,36 5.913,37 4.084,38 5.006,39 5.263,40 3.859,41 4.088,42 5.872,43 3.967,44 4.869,45 5.114,46 3.757,47 3.97,48 5.866,49 3.858,50 4.764,51 5.023,52 3.531,53 3.879,54 5.663,55 3.735,56 0.043,57 0.839,58 11.256,59 5.492,60 10.399,61 6.732,62 0.258,63 1.402,64 22.361,65 9.454,66 32.281,67 11.812,68 0.344,69 1.793,70 31.392,71 12.836,72 46.555,73 16.281,74 0.541,75 1.906,76 35.266,77 14.151,78 67.102,79 18.377,80 0.402,81 1.802,82 38.154,83 14.507,84 55.178,85 19.985,86 0.515,87 1.66,88 35.712,89 12.438,90 59.584,91 17.126,92 0.583,93 1.552,94 30.924,95 10.729,96 73.934,97 14.318,98 0.484,99 1.39,100 28.264,101 10.261,102 60.315,103 13.736,104 11,105 50,106 0.251,107 0.632,108 0.827,109 0.895,110 0.901,111 0.901,112 3.472,113 0.919,114 -4.25,115 -4.19,116 -3.96,119 44.6,121 3,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 10,173 1,174 1,176 1,178 16,180 1,182 7,186 2,189 14,191 2,192 1,193 9,197 2,199 12,201 2,203 6,208 2,211 4,213 2,214 1,215 7,222 3,225 1,226 4,228 1,229 1,231 1,233 6,235 1,237 2,244 11,248 1,249 1,251 1,252 1,256 9,259 1534,260 21.223,261 21.223,262 21.223,263 21.223,264 21.223,265 18.956,266 21.562,267 12.308,268 21.499,269 17.259,270 17.259,271 17.259,272 17.259,273 17.259,274 13.777,275 22.352,276 5.786,277 17.714,278 4.267,279 1.931,280 0.741,281 0.321,282 0.286,283 0.286,284 4.183,288 1,289 1,290 923,291 3.162,294 70.085,295 345.262,298 130.755,299 142.075,302 2.021,303 34.057,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 414,316 4.638,317 3.522,318 6.791,319 4.189,320 3.197,321 4.588,322 1.151,323 11.16,324 3.172,325 4.384,326 3.369,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 4.007,335 3.322,336 6.022,337 3.663,338 2.688,339 3.425,340 0.916,341 8.505,342 2.637,343 3.931,344 3.007,345 5.903,346 3.626,347 2.632,348 3.265,349 0.172,350 8.139,351 2.596,352 3.499,353 2.697,354 5.368,355 3.305,356 2.363,357 2.78,359 6.963,360 2.218,361 3.359,362 2.471,363 5.147,364 2.972,365 2.002,366 2.538,368 6.014,369 1.93,370 3.174,371 2.251,372 5.022,373 2.896,374 1.935,375 2.285,377 5.541,378 1.846,379 2.976,380 1.979,381 4.373,382 2.543,383 1.572,384 2.071,386 4.13,387 1.531,388 2.88,389 1.792,390 4.187,391 2.504,392 1.524,393 1.959,395 3.815,396 1.48,397 2.599,398 1.661,399 3.783,400 2.18,401 1.182,402 1.568,404 2.833,405 1.165,406 2.5,407 1.41,408 3.51,409 2,410 1.025,411 1.5,413 2.405,414 1,415 2.219,416 1.173,417 3.433,418 1.996,419 1,420 1.184,422 2.275,423 0.987,424 2.135,425 1,426 3.427,427 1.984,428 1,429 1.046,431 2.263,432 0.983,433 2.056,434 0.903,435 3.414,436 1.664,437 0.685,438 0.945,440 1.799,441 0.665,442 1.679,443 0.788,444 3.148,445 1.527,446 0.562,447 0.62,449 1.355,450 0.538,451 14.586,452 0.471,453 0.747,454 0.024,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 28.418,462 0.917,463 33.414,464 0.597,465 27.895,466 0.9,467 7.378,468 0.238,469 7.719,470 0.249,471 0.07,473 0.37,477 1,479 0.704,480 1.046,481 0.75,482 1.033,483 0.591,484 0.922,485 0.895,486 0.937,487 0.884,488 0.958,489 0.531,490 0.922,491 0.964,492 1.009,493 0.98,494 1.033,495 0.776,496 1.015,497 0.829,498 1.069,499 1.069,500 1.164,501 0.815,502 1.17,503 0.69,504 0.93,505 0.946,506 1.063,507 0.551,508 1.064,509 0.871,510 0.895,511 0.97,512 0.947,513 0.685,514 0.974,515 1.016,516 1.013,517 1.104,518 0.989,519 1.101,520 1.043,521 0.98,522 0.867,523 1.113,524 0.959,525 1.069,526 1.042,527 5.5,528 0.145,529 4.222,530 1.681,531 1.728,532 1.028,533 0.617,534 0.319,535 0.227,536 0.223,537 15076,538 41017,539 2.16,540 44.6,542 16,543 1,545 2,547 4,548 2,550 1.73,551 2.044,552 3.656,553 0.161,555 1,559 86.264,560 1.54,561 3.877,562 5.066,563 5.486,564 5.522,565 5.522,566 3.127,567 4.632,568 4.929,569 3.869,570 1798.92,571 8.571,572 26500.4,574 1,576 1,577 325.212,578 1.332,579 4.896,580 0.157,581 0.006,582 0.084,583 0.032,584 0.038,585 0.027,586 0.018,587 0.01,588 0.009,589 0.01,590 0.391,591 0.17,592 0.88,593 0.646,594 163.629,595 -0.036,596 -0.016,597 0.051,598 0.008,599 -0.036,600 0.044,601 -0.051,602 0.045,603 -0.001,604 0.045,605 0.068,606 0.037,607 -0.087,608 -0.038,609 -0.053,610 -0.029,611 0.006,612 -0.032,613 0.044,614 -0.102,615 -0.124,616 -0.162,617 0.015,618 -0.176,619 -0.001,620 -0.123,621 0.019,622 -0.082,623 -0.001,624 -0.041,625 -0.029,626 -0.068,627 0.028,628 -0.001,629 -0.021,630 0.017,631 -0.013,632 -0.014,633 -0.094,634 -0.036,635 -0.053,636 -0.071,637 -0.06,638 0.121,639 -0.107,640 0.022,641 -0.106,642 -0.037,643 2.06,644 5.951,645 0.806,646 31.434,647 1.005,648 1.124,649 3.023,650 9.142,651 0.669,652 3.584,653 3.932,654 4.248,655 4.522,656 4.762,657 4.86,658 4.977,659 5.05,660 5.142,661 5.182,662 7.842,663 0.641,664 420.52,665 3.584,666 5.142,667 6.014,668 6.903,669 7.789,670 8.681,671 9.571,672 10.464,673 11.356,674 12.25,675 3.6,678 1,682 1,687 2,688 7,691 1,693 5,695 16,701 1,713 1,714 56,716 18,717 2,718 35,720 60,721 25,722 14,723 7,724 5,725 3,730 5,731 7,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,762 1,763 1,764 25,765 6,766 2,767 6,773 2,777 0.6,778 3,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 5.4,850 1,851 1,852 1,854 15.167,855 9.926,856 6.694,857 3.488,858 3.525,859 1.422,860 1.026,861 5.554,862 11.879,863 3.829,864 4.44,865 5.057,866 5.645,867 6.144,868 6.457,869 6.774,870 7.004,871 7.067,872 7.214,873 0.889,874 52,875 11.537,877 5.079,878 7.785,879 22.217,881 19.079,883 2.285,884 70.833,886 1,887 1,888 270.735,889 133.749,890 36.022,892 45.652,893 14.96,895 133.749,896 316.388,897 50.982,899 51.41,900 78.073,901 40.849,902 40.254,903 31.567,904 258.964,906 270.735,907 169.771,908 60.612,911 215.069,912 105.279,913 11,915 54.535,916 105.76,917 9.476,919 285.695,920 81.674,921 133.749,924 270.735,925 55.676,926 81.198,928 93.509,929 270.735,930 96.634,931 133.749,933 0.589,934 0.353,935 0.191,936 0.103,937 26,938 11,939 0.083,940 5,941 2,942 1.16,943 4.33,944 285.584,945 0.16,946 25,947 151.58,951 20.289,952 8.486,953 4.001,954 1.163,955 96.634,956 12.228,959 5.553,961 3.611,963 32.897,964 501.118,965 45,970 11.457,972 2.216,974 0.809,975 56.301,976 62.947,977 0.265,978 0.668,979 0.872,980 0.945,981 0.951,982 0.951,983 5.088,984 1.572,985 6.004,986 5.541,987 4.615,988 5.127,989 1.956,990 6.838,991 4.57,992 6.293,993 1.524,994 7.578,995 4.13,996 4.205,997 4.977,998 0.325,999 7.791,1000 4.141,1001 7.61,1002 1.182,1003 9.253,1004 3.815,1005 6.232,1006 7.348,1007 1.989,1008 10.899,1009 6.156,1010 8.963,1011 1.025,1012 10.988,1013 2.833,1014 6.661,1015 8.08,1016 0.393,1017 12.689,1018 6.577,1019 10.352,1020 1,1021 12.761,1022 2.405,1023 8.141,1024 9.918,1025 2.094,1026 15.313,1027 8.044,1028 11.765,1029 1,1030 14.561,1031 2.275,1032 8.947,1033 11.056,1034 0.384,1035 17.441,1036 8.848,1037 13.197,1038 0.685,1039 16.379,1040 2.263,1041 10.213,1042 12.689,1043 2.241,1044 19.906,1045 10.103,1046 3.197,1047 0.562,1048 18.211,1049 1.799,1050 11.196,1051 14.02,1052 0.351,1053 22.179,1054 11.083,1055 3.077,1056 11.16,1057 20.055,1058 1.355,1059 12.377,1060 15.572,1061 2.418,1062 24.591,1063 12.254,1064 2.688,1065 10.291,1066 21.907,1067 4.588,1068 13.443,1069 16.996,1070 0.312,1071 26.928,1072 13.315,1073 2.632,1074 8.505,1075 23.766,1076 4.006,1077 14.593,1078 18.517,1079 2.619,1080 29.323,1081 14.457,1082 2.363,1083 8.139,1084 25.631,1085 3.425,1086 15.698,1087 19.985,1088 0.273,1089 31.69,1090 15.556,1091 2.002,1092 6.963,1093 27.501,1094 3.265,1095 16.839,1096 21.498,1097 2.839,1098 34.082,1099 16.689,1100 1.935,1101 6.014,1102 29.375,1103 2.78,1104 17.963,1105 22.989,1106 0.236,1107 36.463,1108 17.806,1109 13871,1110 23014,1111 23.868,1112 37.449,1113 53.537,1114 54.298,1115 54.397,1116 53.012,1117 52.962,1118 67.646,1119 6.439,1120 155.153,1121 51.639,1122 5.602,1123 5.522,1124 6.327,1125 5.274,1126 5.197,1127 7.588,1128 2.302,1129 18.527,1130 5.172,1131 13.39,1132 1.53,1133 1.551,1134 1.554,1135 1.515,1136 1.513,1137 1.933,1138 0.184,1139 4.433,1140 1.475,1141 4.126,1142 4.136,1143 4.096,1144 4.036,1145 8.201,1146 4.047,1147 4.013,1148 4.033,1149 3.958,1150 3.941,1151 7.437,1152 3.942,1153 3.815,1154 3.868,1155 3.719,1156 3.677,1157 5.118,1158 3.68,1159 3.58,1160 3.616,1161 3.495,1162 3.42,1163 4.905,1164 3.427,1165 3.411,1166 3.467,1167 3.301,1168 3.258,1169 4.748,1170 3.258,1171 3.337,1172 3.38,1173 3.22,1174 3.192,1175 4.486,1176 3.187,1177 3.225,1178 3.288,1179 3.099,1180 2.998,1181 4.383,1182 3.015,1183 3.057,1184 3.135,1185 2.959,1186 2.888,1187 4.222,1188 2.879,1189 0.133,1190 0.101,1191 0.194,1192 0.12,1193 0.091,1194 4.638,1195 0.131,1196 3.522,1197 0.033,1198 6.791,1199 0.319,1200 4.189,1201 0.091,1202 3.197,1203 4.588,1204 1.151,1205 11.16,1206 3.172,1207 1.991,1208 1.97,1209 2.101,1210 2.094,1211 1.384,1212 2.097,1213 1.97,1214 1.954,1215 2.061,1216 2.057,1217 1.31,1218 2.058,1219 1.749,1220 1.702,1221 1.899,1222 1.904,1223 1.119,1224 1.904,1225 1.533,1226 1.495,1227 1.733,1228 1.729,1229 1.009,1230 1.722,1231 1.407,1232 1.365,1233 1.659,1234 1.614,1235 0.859,1236 1.621,1237 1.345,1238 1.299,1239 1.537,1240 1.56,1241 0.691,1242 1.558,1243 1.137,1244 1.083,1245 1.431,1246 1.436,1247 0.578,1248 1.425,1249 1.079,1250 0.994,1251 1.361,1252 1.297,1253 0.464,1254 1.348,1255 4.263,1257 5.602,1258 2.398,1259 7.143,1260 4.595,1261 8.776,1262 6.629,1263 10.458,1267 13.951,1269 5.416,1271 5.956,1273 6.031,1275 0.038,1276 2.405,1280 35.892,1281 86.264,1282 217.099,1283 283.702,1284 307.212,1285 309.212,1286 309.212,1287 55.19,1288 8.354,1289 68.7,1290 68.7,1291 29,1292 12.777,1293 4.248,1294 3.459,1295 44.012,1296 150,1297 127,1298 0.143,1299 214.041,1300 377.24,1301 514.02,1302 58763,1303 1.8,1304 21.372,1305 0.689,1306 0.557,1307 20.501,1308 17.273,1309 15.097,1310 0.431,1311 0.306,1312 10.57,1313 14.507,1314 10.395,1315 8.475,1316 14.687,1317 10.716,1318 13.767,1319 0.275,1320 0.164,1321 13.24,1322 8.214,1323 12.084,1324 0.175,1325 0.092,1326 11.603,1327 6.375,1328 10.176,1329 0.112,1330 0.051,1331 9.854,1332 4.669,1333 8.323,1334 0.072,1335 0.029,1336 8.051,1337 3.368,1338 0.232,1339 94.745,1340 0.205,1341 29.533,1342 0.374,1343 170,1344 522.275,1345 186.24,1346 472.692,1347 640.96,1348 444,1349 204,1350 463.837,1351 220.125,1352 461.919,1353 684.14,1354 437,1355 7.569} {0 CHEMBL2112317,1 1.406,2 12.758,3 4.499,4 20.237,5 132.228,6 6.452,7 0.278,8 4.308,9 4.442,10 3.748,11 3.835,12 5.268,13 3.782,14 4.928,15 5.133,16 4.137,17 4.288,18 5.794,19 4.205,20 5.261,21 5.491,22 4.244,23 4.507,24 6.131,25 4.391,26 5.437,27 5.705,28 4.251,29 4.544,30 6.373,31 4.4,32 5.392,33 5.653,34 4.053,35 4.47,36 6.281,37 4.31,38 5.325,39 5.606,40 3.975,41 4.412,42 6.075,43 4.228,44 5.312,45 5.612,46 3.916,47 4.351,48 6.059,49 4.162,50 5.192,51 5.478,52 3.915,53 4.295,54 5.939,55 4.131,56 0.051,57 1.001,58 16.621,59 6.92,60 9.766,61 9.829,62 0.301,63 1.693,64 31.64,65 11.824,66 24.627,67 17.392,68 0.35,69 2.2,70 44.443,71 16.066,72 45.274,73 23.63,74 0.6,75 2.386,76 53.444,77 18.692,78 95.354,79 27.644,80 0.666,81 2.229,82 51.701,83 17.479,84 97.651,85 25.451,86 0.404,87 2.121,88 47.273,89 17.197,90 58.26,91 25.453,92 0.607,93 2.039,94 47.099,95 16.16,96 65.951,97 24.449,98 0.35,99 1.888,100 41.452,101 14.488,102 41.938,103 21.877,104 42,105 52,106 0.222,107 0.507,108 0.728,109 0.826,110 0.845,111 0.845,112 3.532,113 1.039,114 -4.08,115 -4.02,116 -3.81,119 38.6,120 3,121 8,123 1,125 3,127 1,140 2,141 4,149 1,150 1,153 1,156 2,169 14,171 2,172 10,176 3,178 17,182 9,186 2,189 11,192 1,193 13,195 1,197 2,199 12,202 1,203 7,208 1,211 14,215 3,218 1,220 1,222 12,225 3,226 6,233 10,237 4,242 2,244 6,249 12,254 2,256 8,259 2026,260 22.102,261 22.102,262 22.102,263 22.102,264 22.102,265 20.639,266 23.46,267 12.84,268 22.304,269 17.666,270 17.666,271 17.666,272 17.666,273 17.666,274 15.203,275 24.462,276 5.883,277 17.973,278 4.723,279 2.918,280 1.515,281 0.889,282 0.775,283 0.775,284 4.224,289 1,290 907,291 4.183,294 75.403,295 277.344,298 128.454,299 134.713,302 1.855,303 34.522,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 70.5,315 421,316 4.687,317 3.967,318 6.919,319 4.304,320 3.309,321 4.646,322 2.049,323 11.66,324 3.292,325 4.382,326 3.408,327 6.843,328 4.258,329 3.266,330 3.515,331 1.798,332 11.394,333 3.241,334 3.964,335 3.364,336 6.229,337 3.781,338 2.829,339 3.365,340 0.8,341 9.135,342 2.702,343 3.834,344 3.087,345 6.165,346 3.684,347 2.716,348 2.899,349 0.314,350 9.115,351 2.62,352 3.697,353 3.054,354 5.828,355 3.44,356 2.46,357 2.836,359 7.947,360 2.4,361 3.418,362 2.868,363 5.112,364 2.971,365 1.982,366 2.726,368 5.898,369 1.961,370 3.303,371 2.506,372 4.956,373 2.932,374 1.879,375 2.414,377 5.321,378 1.955,379 2.96,380 2.006,381 4.648,382 2.696,383 1.706,384 2.098,386 4.689,387 1.687,388 2.747,389 1.959,390 4.419,391 2.603,392 1.603,393 1.75,395 4.277,396 1.602,397 2.542,398 1.697,399 3.824,400 2.468,401 1.482,402 1.53,404 3.272,405 1.457,406 2.395,407 1.597,408 3.7,409 2.027,410 1.039,411 1.27,413 2.165,414 1.023,415 2.118,416 1.388,417 3.388,418 1.86,419 0.87,420 1.069,422 2.11,423 0.852,424 2.066,425 0.971,426 3.314,427 1.802,428 0.822,429 0.942,431 1.913,432 0.805,433 1.971,434 0.915,435 3.209,436 1.604,437 0.606,438 0.666,440 1.257,441 0.6,442 1.718,443 0.764,444 3.018,445 1.394,446 0.318,447 0.5,449 0.501,450 0.339,451 15.7,452 0.476,453 0.933,454 0.028,455 33.25,456 1.008,457 12.5,458 0.379,459 20.75,460 0.629,461 40.372,462 1.223,463 37.7,464 0.539,465 24.511,466 0.743,467 5.708,468 0.173,469 10.117,470 0.307,471 0.159,472 0.032,473 0.306,479 0.636,480 1.442,481 0.916,482 1.233,483 0.491,484 1.124,485 0.656,486 1.129,487 0.902,488 1.014,489 0.505,490 0.984,491 0.927,492 1.148,493 1.067,494 1.119,495 0.763,496 1.102,497 0.826,498 1.014,499 0.918,500 1.008,501 0.764,502 0.977,503 1.411,504 0.953,505 1.19,506 0.992,507 1.449,508 1.058,509 0.725,510 1.08,511 0.974,512 1.082,513 0.715,514 1.066,515 0.722,516 0.887,517 0.907,518 0.885,519 0.715,520 0.914,521 0.725,522 0.965,523 0.924,524 0.964,525 0.58,526 0.958,527 7.5,528 0.226,529 4.444,530 2.972,531 2.058,532 0.924,533 0.66,534 0.561,535 0.428,536 0.308,537 15793,538 35156,539 2.036,540 52.9,541 11,542 9,543 1,544 1,545 1,546 4,547 10,550 1.751,551 1.877,552 3.581,553 -0.412,559 98.408,560 1.406,561 3.211,562 4.614,563 5.24,564 5.354,565 5.354,566 3.021,567 4.56,568 5.02,569 3.823,570 2018.4,571 8.783,572 30926.5,577 429.05,578 1.628,579 4.954,580 0.208,581 0.007,582 0.085,583 0.054,584 0.039,585 0.022,586 0.017,587 0.015,588 0.011,589 0.008,590 0.467,591 0.33,592 1,593 0.998,594 176.431,595 0.001,596 -0.144,597 0.055,598 -0.03,599 0.012,600 0.01,601 0.081,602 0.046,603 0.076,604 0.068,605 0.038,606 0.07,607 -0.077,608 -0.049,609 -0.085,610 -0.079,611 -0.031,612 -0.079,613 0.095,614 -0.03,615 0.06,616 -0.022,617 0.131,618 0.012,619 -0.187,620 0.021,621 -0.178,622 -0.023,623 -0.158,624 -0.091,625 0.011,626 -0.12,627 -0.023,628 -0.09,629 -0.017,630 -0.068,631 0.079,632 0.053,633 0.054,634 0.064,635 -0.002,636 0.054,637 -0.01,638 0.024,639 0.032,640 0.009,641 -0.008,642 0.028,643 1.688,644 5.42,645 0.576,646 32.964,647 0.99,648 1.131,649 2.846,650 8.098,651 0.633,652 3.611,653 3.97,654 4.248,655 4.554,656 4.745,657 4.86,658 4.92,659 5.081,660 5.153,661 5.17,662 7.73,663 0.588,664 451.67,665 3.611,666 5.176,667 6.038,668 6.944,669 7.824,670 8.735,671 9.621,672 10.534,673 11.425,674 12.339,675 4.3,678 1,682 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 70,716 13,717 1,718 36,720 73,721 27,722 8,723 4,724 2,725 1,730 4,731 7,736 3,737 1,739 1,740 6,743 9,745 11,746 16,750 3,755 3,757 1,759 2,764 37,765 5,766 1,767 6,773 3,775 1,777 0.5,778 3,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 3,827 33,833 11,837 1,838 2,839 1,847 4.3,850 3,854 17.583,855 13.317,856 7.278,857 4.779,858 2.282,859 1.283,860 0.951,861 7.283,862 10.341,863 3.807,864 4.347,865 4.889,866 5.487,867 5.923,868 6.296,869 6.623,870 7.018,871 7.122,872 7.255,873 1,874 55,875 12.368,877 5.332,878 7.689,879 24.294,881 20.901,883 2.189,884 72.25,888 423.76,889 116.176,890 23.034,892 75.435,895 116.176,896 499.194,897 23.034,898 26.476,899 29.718,900 28,901 108.039,902 32.04,903 13.915,904 400.217,906 423.76,907 139.21,908 75.435,911 306.049,912 193.146,915 76.103,916 51.683,917 11.424,919 423.76,920 98.469,921 116.176,924 423.76,925 50.276,926 72.148,927 16.786,928 75.435,929 423.76,930 98.469,931 116.176,933 0.584,934 0.346,935 0.198,936 0.103,937 25,938 12,939 0.123,940 9,941 2,942 1.211,943 4.3,944 305.063,945 0.211,946 19,947 158.465,951 24.009,952 10.01,953 5.189,954 2.131,955 81.683,956 6.113,958 3.239,961 3.437,963 16.786,964 638.405,965 44,970 36.429,972 0.955,974 -0.042,975 69.309,976 79.182,977 0.229,978 0.524,979 0.753,980 0.855,981 0.874,982 0.874,983 5.091,984 1.706,985 6.066,986 5.321,987 4.654,988 5.034,989 2.666,990 6.944,991 4.624,992 6.293,993 1.603,994 7.671,995 4.689,996 4.443,997 4.997,998 2.262,999 8.113,1000 4.401,1001 7.619,1002 1.482,1003 9.382,1004 4.277,1005 6.351,1006 7.199,1007 3.635,1008 11.163,1009 6.286,1010 8.978,1011 1.039,1012 11.154,1013 3.272,1014 6.938,1015 8.012,1016 3.801,1017 13.105,1018 6.866,1019 10.374,1020 0.87,1021 12.965,1022 2.165,1023 8.362,1024 9.76,1025 4.828,1026 15.729,1027 8.272,1028 11.793,1029 0.822,1030 14.801,1031 2.11,1032 9.288,1033 10.965,1034 5.253,1035 17.964,1036 9.195,1037 13.231,1038 0.606,1039 16.653,1040 1.913,1041 10.543,1042 12.563,1043 6.115,1044 20.457,1045 10.438,1046 3.309,1047 0.318,1048 18.519,1049 1.257,1050 11.613,1051 13.949,1052 6.671,1053 22.81,1054 11.507,1055 3.266,1056 11.66,1057 20.394,1058 0.501,1059 12.811,1060 15.499,1061 7.451,1062 25.263,1063 12.698,1064 2.829,1065 11.394,1066 22.277,1067 4.646,1068 13.942,1069 16.968,1070 8.077,1071 27.665,1072 13.828,1073 2.716,1074 9.135,1075 24.165,1076 3.515,1077 15.123,1078 18.504,1079 8.816,1080 30.107,1081 15.004,1082 2.46,1083 9.115,1084 26.059,1085 3.365,1086 16.281,1087 20.009,1088 9.479,1089 32.531,1090 16.161,1091 1.982,1092 7.947,1093 27.958,1094 2.899,1095 17.46,1096 21.542,1097 10.201,1098 34.972,1099 17.337,1100 1.879,1101 5.898,1102 29.859,1103 2.836,1104 18.631,1105 23.063,1106 10.885,1107 37.407,1108 18.506,1109 15147,1110 22729,1111 23.463,1112 44.324,1113 54.937,1114 57.849,1115 56.477,1116 53.814,1117 53.79,1118 64.468,1119 9.923,1120 161.34,1121 53.088,1122 5.687,1123 5.967,1124 6.693,1125 5.341,1126 5.309,1127 7.646,1128 3.493,1129 18.968,1130 5.292,1131 19.276,1132 1.526,1133 1.607,1134 1.569,1135 1.495,1136 1.494,1137 1.791,1138 0.276,1139 4.482,1140 1.475,1141 4.167,1142 4.197,1143 4.127,1144 4.094,1145 7.453,1146 4.098,1147 3.937,1148 3.98,1149 3.856,1150 3.79,1151 7.442,1152 3.796,1153 3.816,1154 3.878,1155 3.708,1156 3.665,1157 7.411,1158 3.667,1159 3.639,1160 3.7,1161 3.504,1162 3.512,1163 4.934,1164 3.501,1165 3.56,1166 3.636,1167 3.39,1168 3.41,1169 4.385,1170 3.393,1171 3.381,1172 3.445,1173 3.238,1174 3.235,1175 4.281,1176 3.228,1177 3.32,1178 3.368,1179 3.189,1180 3.121,1181 4.218,1182 3.131,1183 3.166,1184 3.202,1185 3.084,1186 2.933,1187 4.045,1188 2.958,1189 0.13,1190 0.11,1191 0.192,1192 0.12,1193 0.092,1194 4.687,1195 0.129,1196 3.967,1197 0.057,1198 6.919,1199 0.324,1200 4.304,1201 0.091,1202 3.309,1203 4.646,1204 2.049,1205 11.66,1206 3.292,1207 2.032,1208 2.008,1209 2.14,1210 2.116,1211 1.481,1212 2.126,1213 1.877,1214 1.836,1215 2.055,1216 2.047,1217 1.366,1218 2.047,1219 1.748,1220 1.686,1221 1.969,1222 1.926,1223 1.286,1224 1.942,1225 1.601,1226 1.533,1227 1.881,1228 1.787,1229 1.157,1230 1.82,1231 1.556,1232 1.515,1233 1.757,1234 1.765,1235 1.005,1236 1.761,1237 1.525,1238 1.464,1239 1.679,1240 1.682,1241 0.831,1242 1.695,1243 1.31,1244 1.241,1245 1.58,1246 1.562,1247 0.758,1248 1.572,1249 1.168,1250 1.096,1251 1.464,1252 1.398,1253 0.665,1254 1.423,1255 4.29,1257 5.638,1258 2.398,1259 7.182,1260 4.727,1261 8.824,1262 6.843,1263 10.52,1265 6.195,1271 9.489,1275 0.455,1276 4.063,1277 -0.214,1280 41.164,1281 98.408,1282 224.785,1283 323.011,1284 366.785,1285 374.785,1286 374.785,1287 80.174,1288 8.06,1289 73.48,1290 73.48,1291 23,1292 12.856,1293 3.807,1294 3.17,1295 54.515,1296 152,1297 141,1298 0.169,1299 252.07,1300 445.31,1301 606.811,1302 39109,1304 23.587,1305 0.715,1306 0.615,1307 23.587,1308 20.284,1309 15.825,1310 0.44,1311 0.346,1312 12.352,1313 15.343,1314 11.941,1315 9.928,1316 15.825,1317 12.47,1318 14.682,1319 0.282,1320 0.204,1321 14.682,1322 10.584,1323 11.912,1324 0.173,1325 0.107,1326 11.912,1327 7.361,1328 10.731,1329 0.114,1330 0.061,1331 10.731,1332 5.71,1333 7.958,1334 0.07,1335 0.036,1336 7.958,1337 4.131,1338 0.27,1339 98.377,1340 0.206,1341 30.816,1342 0.451,1343 176,1344 438.83,1345 188.751,1346 422.099,1347 569.64,1348 394,1349 209,1350 407.958,1351 221.976,1352 415.148,1353 609.42,1354 390,1355 6.602} {0 CHEMBL2112327,1 1.377,2 14.909,3 4.78,4 22.85,5 130.934,6 6.962,7 0.459,8 4.22,9 4.345,10 3.742,11 3.823,12 5.237,13 3.775,14 4.804,15 4.987,16 4.093,17 4.259,18 5.721,19 4.179,20 5.152,21 5.387,22 4.188,23 4.453,24 6.003,25 4.334,26 5.245,27 5.506,28 4.107,29 4.424,30 6.121,31 4.28,32 5.204,33 5.482,34 3.991,35 4.299,36 6.137,37 4.153,38 5.035,39 5.299,40 3.817,41 4.205,42 5.895,43 4.052,44 5.007,45 5.271,46 3.774,47 4.23,48 5.721,49 4.053,50 5.03,51 5.313,52 3.706,53 4.185,54 5.762,55 3.997,56 0.05,57 0.901,58 13.567,59 5.982,60 11.103,61 8.241,62 0.203,63 1.551,64 25.899,65 10.456,66 21.063,67 14.784,68 0.252,69 2.069,70 38.432,71 15.05,72 35.68,73 21.526,74 0.312,75 2.184,76 43.439,77 16.35,78 49.416,79 23.526,80 0.474,81 2.04,82 42.96,83 15.155,84 77.617,85 21.814,86 0.375,87 1.752,88 35.683,89 12.983,90 61.162,91 18.513,92 0.238,93 1.697,94 33.888,95 13.927,96 31.894,97 19.871,98 0.245,99 1.716,100 35.322,101 13.859,102 41.554,103 20.069,104 6,105 51,106 0.219,107 0.56,108 0.746,109 0.848,110 0.874,111 0.874,112 3.531,113 0.98,114 -4.68,115 -4.6,116 -4.32,119 44.4,121 6,122 1,125 3,127 1,140 8,141 5,143 1,144 1,156 2,169 18,172 8,174 1,176 3,178 20,182 10,186 4,189 14,193 11,197 2,199 8,202 1,203 8,206 1,208 3,211 11,214 1,215 2,220 1,222 15,226 3,229 1,233 20,237 3,244 18,248 1,249 3,254 2,256 11,259 1856,260 22.955,261 22.955,262 22.955,263 22.955,264 22.955,265 20.733,266 19.904,267 13.586,268 23.168,269 18.224,270 18.224,271 18.224,272 18.224,273 18.224,274 14.78,275 24.932,276 6.356,277 18.556,278 4.6,279 2.454,280 1.281,281 0.639,282 0.476,283 0.476,284 4.245,289 1,290 1095,291 3.391,295 490.654,299 326.408,302 2.353,303 24.183,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 492,316 4.549,317 4.075,318 6.665,319 4.107,320 3.112,321 4.468,322 2.035,323 10.704,324 3.094,325 4.415,326 3.605,327 6.517,328 4.048,329 3.057,330 4.065,331 1.058,332 10.241,333 3.033,334 3.858,335 3.244,336 5.72,337 3.669,338 2.685,339 3.239,340 0.916,341 7.777,342 2.643,343 3.69,344 2.88,345 5.491,346 3.44,347 2.469,348 2.811,349 0.172,350 7.281,351 2.408,352 3.6,353 2.725,354 5.4,355 3.322,356 2.355,357 2.65,359 6.997,360 2.259,361 3.328,362 2.612,363 5.131,364 3.075,365 2.089,366 2.427,368 6.265,369 2.057,370 3.156,371 2.216,372 4.979,373 2.88,374 1.903,375 2.365,377 5.638,378 1.851,379 3.118,380 2.075,381 4.445,382 2.586,383 1.618,384 2.225,386 4.138,387 1.564,388 2.943,389 1.847,390 4.176,391 2.526,392 1.53,393 2.049,395 3.769,396 1.522,397 2.902,398 1.728,399 3.941,400 2.452,401 1.44,402 1.948,404 3.436,405 1.45,406 2.859,407 1.618,408 3.578,409 2.241,410 1.25,411 1.839,413 2.775,414 1.237,415 2.747,416 1.266,417 3.414,418 2.016,419 1.032,420 1.34,422 2.275,423 1.014,424 2.199,425 1.151,426 3.404,427 2,428 1,429 1.033,431 2.268,432 1,433 2.033,434 1,435 3.294,436 1.75,437 0.774,438 1,440 1.828,441 0.754,442 2,443 0.899,444 3.213,445 1.659,446 0.673,447 0.805,449 1.601,450 0.661,451 15.933,452 0.483,453 0.636,454 0.019,455 41.25,456 1.25,457 20.5,458 0.621,459 20.75,460 0.629,461 31.516,462 0.955,463 34.467,464 0.547,465 28.541,466 0.865,467 7.443,468 0.226,469 8.765,470 0.266,471 0.046,473 0.308,479 0.702,480 1.207,481 0.838,482 1.039,483 0.455,484 0.963,485 0.805,486 1.099,487 0.982,488 1.037,489 0.443,490 1.022,491 0.886,492 1.063,493 0.98,494 1.038,495 0.597,496 1.019,497 1.028,498 1.092,499 1.004,500 1.072,501 0.902,502 1.042,503 1.343,504 0.922,505 0.984,506 0.913,507 1.4,508 0.92,509 1.41,510 0.862,511 1.128,512 0.943,513 1.453,514 1.002,515 0.648,516 0.952,517 1.023,518 1.075,519 0.574,520 1.087,521 0.736,522 0.963,523 0.996,524 1.027,525 0.74,526 1.036,527 5.5,528 0.124,529 3.556,530 1.813,531 1.924,532 0.861,533 0.484,534 0.347,535 0.241,536 0.189,537 19055,538 43418,539 2.168,540 47.6,541 5,542 15,544 1,545 1,547 8,550 1.744,551 2.084,552 3.82,553 -0.442,559 86.756,560 1.377,561 3.524,562 4.696,563 5.338,564 5.501,565 5.501,566 3.242,567 4.658,568 5.02,569 4.032,570 2129.08,571 8.74,572 34069.2,574 1,577 376.569,578 1.182,579 4.999,580 0.149,581 0.005,582 0.07,583 0.034,584 0.041,585 0.021,586 0.014,587 0.01,588 0.008,589 0.007,590 0.358,591 0.17,592 0.88,593 0.551,594 179.776,595 0.004,596 -0.07,597 0.06,598 0.008,599 0.072,600 0.033,601 0.026,602 -0.009,603 -0.045,604 -0.029,605 0.063,606 -0.04,607 -0.03,608 -0.058,609 -0.016,610 -0.042,611 0.05,612 -0.029,613 -0.009,614 -0.13,615 -0.012,616 -0.092,617 0.033,618 -0.058,619 0.02,620 0.025,621 0.046,622 0.043,623 -0.017,624 0.045,625 -0.163,626 0.108,627 -0.118,628 0.024,629 -0.156,630 -0.032,631 0.015,632 -0.022,633 -0.062,634 -0.061,635 -0.019,636 -0.069,637 -0.014,638 -0.044,639 -0.018,640 -0.03,641 -0.05,642 -0.026,643 1.652,644 5.921,645 0.788,646 37.658,647 0.988,648 1.121,649 3.451,650 11.908,651 0.673,652 3.638,653 3.951,654 4.248,655 4.511,656 4.754,657 4.745,658 4.86,659 4.949,660 5.056,661 5.043,662 8.76,663 0.629,664 438.62,665 3.638,666 5.176,667 6.033,668 6.907,669 7.775,670 8.652,671 9.524,672 10.401,673 11.274,674 12.151,675 6.3,678 1,682 1,684 1,685 1,687 2,688 9,689 1,693 4,695 17,697 1,702 1,714 63,716 19,717 2,718 37,720 67,721 28,722 15,723 5,724 7,725 1,730 5,731 7,740 6,741 1,743 7,744 1,745 16,746 11,747 1,750 1,755 1,759 1,764 30,765 5,766 1,767 5,773 4,777 0.6,778 1,786 1,793 5,797 2,815 1,819 3,827 33,833 9,834 1,837 2,838 1,840 1,843 1,845 1,847 1.6,850 1,854 15.833,855 11.183,856 7.306,857 4.196,858 3.502,859 1.418,860 1,861 6.49,862 11.891,863 3.902,864 4.443,865 5.039,866 5.604,867 6.131,868 6.289,869 6.634,870 6.859,871 7.123,872 6.904,873 0.9,874 54,875 12.268,877 5.29,878 7.586,879 24.202,881 20.872,883 2.086,884 68.833,887 1,888 341.362,889 145.148,890 68.98,892 25.145,895 145.148,896 366.507,897 68.98,899 39.535,900 75.81,901 75.008,902 60.69,904 329.591,906 341.362,907 214.127,908 25.145,911 247.193,912 119.314,915 84.91,916 112.432,917 16.786,919 341.362,920 94.125,921 145.148,924 341.362,925 43.688,926 87.982,927 34.612,928 72.99,929 341.362,930 94.125,931 145.148,933 0.575,934 0.347,935 0.194,936 0.106,937 25,938 10,939 0.075,940 5,941 2,942 1.154,943 4.597,944 300.637,945 0.154,946 26,947 162.465,951 21.776,952 9.835,953 4.834,954 1.772,955 94.125,956 17.457,957 4.363,961 4.116,963 18.011,964 580.634,965 48.5,970 12.921,974 0.015,975 62.221,976 70.6,977 0.23,978 0.59,979 0.786,980 0.893,981 0.92,982 0.92,983 5.149,984 1.618,985 5.999,986 5.638,987 4.635,988 5.13,989 2.567,990 6.797,991 4.602,992 6.33,993 1.53,994 7.545,995 4.138,996 4.111,997 4.832,998 0.325,999 7.67,1000 4.072,1001 7.623,1002 1.44,1003 9.191,1004 3.769,1005 6.213,1006 7.292,1007 3.657,1008 10.773,1009 6.152,1010 8.948,1011 1.25,1012 10.899,1013 3.436,1014 6.538,1015 7.908,1016 0.393,1017 12.504,1018 6.479,1019 10.31,1020 1.032,1021 12.648,1022 2.775,1023 8.067,1024 9.811,1025 4.987,1026 15.114,1027 7.989,1028 11.698,1029 1,1030 14.425,1031 2.275,1032 8.8,1033 10.875,1034 0.384,1035 17.201,1036 8.726,1037 13.108,1038 0.774,1039 16.223,1040 2.268,1041 10.086,1042 12.541,1043 6.384,1044 19.646,1045 9.998,1046 3.112,1047 0.673,1048 18.037,1049 1.828,1050 11.021,1051 13.823,1052 0.351,1053 21.886,1054 10.935,1055 3.057,1056 10.704,1057 19.863,1058 1.601,1059 12.203,1060 15.384,1061 7.799,1062 24.272,1063 12.108,1064 2.685,1065 10.241,1066 21.7,1067 4.468,1068 13.234,1069 16.769,1070 0.312,1071 26.577,1072 13.139,1073 2.469,1074 7.777,1075 23.546,1076 4.065,1077 14.376,1078 18.283,1079 9.218,1080 28.943,1081 14.273,1082 2.355,1083 7.281,1084 25.398,1085 3.239,1086 15.453,1087 19.718,1088 0.273,1089 31.276,1090 15.348,1091 2.089,1092 6.997,1093 27.256,1094 2.811,1095 16.579,1096 21.213,1097 10.638,1098 33.636,1099 16.468,1100 1.903,1101 6.265,1102 29.119,1103 2.65,1104 17.68,1105 22.672,1106 0.236,1107 35.981,1108 17.565,1109 17451,1110 26485,1111 25.542,1112 42.375,1113 56.328,1114 58.876,1115 56.053,1116 54.746,1117 54.753,1118 69.726,1119 8.364,1120 155.241,1121 53.831,1122 5.549,1123 6.075,1124 6.354,1125 5.145,1126 5.112,1127 7.468,1128 4.069,1129 17.826,1130 5.094,1131 11.181,1132 1.522,1133 1.591,1134 1.515,1135 1.48,1136 1.48,1137 1.884,1138 0.226,1139 4.196,1140 1.455,1141 4.088,1142 4.118,1143 4.046,1144 4.015,1145 7.429,1146 4.019,1147 4.013,1148 4.047,1149 3.955,1150 3.945,1151 6.82,1152 3.944,1153 3.891,1154 3.942,1155 3.771,1156 3.789,1157 4.98,1158 3.777,1159 3.604,1160 3.668,1161 3.503,1162 3.442,1163 4.693,1164 3.447,1165 3.507,1166 3.549,1167 3.417,1168 3.387,1169 4.391,1170 3.385,1171 3.356,1172 3.425,1173 3.236,1174 3.204,1175 4.341,1176 3.196,1177 3.23,1178 3.29,1179 3.153,1180 3.095,1181 4.161,1182 3.101,1183 3.188,1184 3.243,1185 3.068,1186 2.98,1187 3.938,1188 3.001,1189 0.123,1190 0.11,1191 0.18,1192 0.111,1193 0.084,1194 4.549,1195 0.121,1196 4.075,1197 0.055,1198 6.665,1199 0.289,1200 4.107,1201 0.084,1202 3.112,1203 4.468,1204 2.035,1205 10.704,1206 3.094,1207 2.041,1208 2.019,1209 2.134,1210 2.13,1211 1.532,1212 2.129,1213 1.993,1214 1.964,1215 2.109,1216 2.095,1217 1.362,1218 2.104,1219 1.899,1220 1.849,1221 2.078,1222 2.028,1223 1.222,1224 2.05,1225 1.577,1226 1.516,1227 1.791,1228 1.768,1229 1.084,1230 1.778,1231 1.489,1232 1.448,1233 1.659,1234 1.643,1235 0.866,1236 1.648,1237 1.358,1238 1.291,1239 1.619,1240 1.54,1241 0.825,1242 1.569,1243 1.206,1244 1.153,1245 1.513,1246 1.407,1247 0.728,1248 1.429,1249 1.153,1250 1.064,1251 1.44,1252 1.376,1253 0.67,1254 1.419,1255 4.317,1257 5.631,1259 7.155,1261 8.774,1263 10.44,1271 9.732,1272 3.272,1275 0.985,1276 2.534,1278 9.328,1279 2.339,1280 39.649,1281 86.756,1282 221.991,1283 295.84,1284 336.304,1285 346.569,1286 346.569,1287 55.692,1288 8.389,1289 69.02,1290 69.02,1291 30,1292 12.69,1293 4.322,1294 3.644,1295 48.346,1296 180,1297 153,1298 0.13,1299 241.361,1300 422.21,1301 580.681,1302 66302,1304 22.623,1305 0.686,1306 0.575,1307 22.623,1308 18.965,1309 16.208,1310 0.438,1311 0.327,1312 12.001,1313 15.861,1314 11.754,1315 9.689,1316 16.208,1317 12.089,1318 14.182,1319 0.278,1320 0.185,1321 14.182,1322 9.437,1323 12.445,1324 0.18,1325 0.107,1326 12.445,1327 7.395,1328 10.585,1329 0.118,1330 0.061,1331 10.585,1332 5.481,1333 8.882,1334 0.077,1335 0.036,1336 8.882,1337 4.147,1338 0.214,1339 99.653,1340 0.198,1341 31.494,1342 0.332,1343 176,1344 415.004,1345 184.764,1346 415.486,1347 573.48,1348 390,1349 208,1350 420.594,1351 217.154,1352 432.599,1353 630.86,1354 409,1355 5.9} {0 CHEMBL2112660,1 1.472,2 14.829,3 3.829,4 14.66,5 139.587,6 7.116,7 0.436,8 4.28,9 4.405,10 3.824,11 3.813,12 5.32,13 3.788,14 4.858,15 5.052,16 4.168,17 4.218,18 5.797,19 4.175,20 5.137,21 5.351,22 4.272,23 4.432,24 6.088,25 4.347,26 5.226,27 5.455,28 4.199,29 4.462,30 6.142,31 4.339,32 5.268,33 5.527,34 4.151,35 4.402,36 6.18,37 4.274,38 5.131,39 5.378,40 4.035,41 4.273,42 6.066,43 4.156,44 4.981,45 5.221,46 3.932,47 4.147,48 5.934,49 4.039,50 4.907,51 5.144,52 3.888,53 4.068,54 5.903,55 3.96,56 0.026,57 0.985,58 14.187,59 5.927,60 10.756,61 8.137,62 0.321,63 1.641,64 27.988,65 9.333,66 22.557,67 13.404,68 0.56,69 2.051,70 37.969,71 13.499,72 46.453,73 19.086,74 0.3,75 2.13,76 41.629,77 16.219,78 50.137,79 22.748,80 0.514,81 2.109,82 45.465,83 16.201,84 69.292,85 23.15,86 0.444,87 1.874,88 39.326,89 13.546,90 59.899,91 19.3,92 0.347,93 1.631,94 33.523,95 11.715,96 47.616,97 16.524,98 0.373,99 1.474,100 31.171,101 11.396,102 47.325,103 15.887,104 11,105 54,106 0.232,107 0.495,108 0.636,109 0.774,110 0.84,111 0.84,112 3.588,113 0.941,114 -3.69,115 -3.65,116 -3.48,119 42.4,124 1,125 9,140 10,141 3,142 3,156 2,169 11,171 1,172 7,178 13,181 4,182 8,189 10,192 1,193 6,199 3,202 2,203 12,211 1,214 1,215 10,225 1,226 7,236 3,237 11,248 1,249 7,259 2250,260 24.162,261 24.162,262 24.162,263 24.162,264 24.162,265 21.979,266 30.743,267 14.218,268 24.711,269 19.178,270 19.178,271 19.178,272 19.178,273 19.178,274 15.718,275 41.797,276 6.639,277 20.044,278 4.573,279 2.9,280 2.004,281 1.129,282 0.708,283 0.708,284 4.299,289 1,290 1144,291 3.317,295 557.015,299 171.27,302 2.243,303 26.691,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.5,315 519,316 4.558,317 4.073,318 6.702,319 4.122,320 3.146,321 4.479,322 2.055,323 10.889,324 3.076,325 4.34,326 3.741,327 6.5,328 3.985,329 3.027,330 3.918,331 2.035,332 10.166,333 2.905,334 3.959,335 3.287,336 6.02,337 3.725,338 2.765,339 3.218,340 0.933,341 8.55,342 2.644,343 3.823,344 3.157,345 5.797,346 3.559,347 2.617,348 3.092,349 0.8,350 7.96,351 2.459,352 3.587,353 2.896,354 5.261,355 3.26,356 2.33,357 2.917,358 0.8,359 6.665,360 2.163,361 3.513,362 2.678,363 5.207,364 3.119,365 2.17,366 2.508,367 0.8,368 6.22,369 2.056,370 3.339,371 2.458,372 5.045,373 3.068,374 2.117,375 2.416,376 0.51,377 6.04,378 2.005,379 3.182,380 2.404,381 4.581,382 2.522,383 1.55,384 2.222,386 4.487,387 1.507,388 2.929,389 2.089,390 4.258,391 2.509,392 1.531,393 2.121,395 3.939,396 1.491,397 2.787,398 1.665,399 3.989,400 2.461,401 1.477,402 1.836,404 3.349,405 1.444,406 2.768,407 1.531,408 3.944,409 2.387,410 1.394,411 1.786,413 3.232,414 1.38,415 2.657,416 1.499,417 3.594,418 2.039,419 1.075,420 1.328,422 2.719,423 1.032,424 2.358,425 1.333,426 3.414,427 1.967,428 1,429 1.142,431 2.275,432 0.965,433 2.24,434 1.204,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 1.146,444 3.38,445 1.812,446 0.828,447 1,449 2.016,450 0.813,451 16.667,452 0.476,453 0.725,454 0.021,455 45.5,456 1.3,457 22,458 0.629,459 23.5,460 0.671,461 30.771,462 0.879,463 37.333,464 0.566,465 35.857,466 1.024,467 9.039,468 0.258,469 8.079,470 0.231,471 0.074,473 0.306,479 0.791,480 1.488,481 0.805,482 1.181,483 0.484,484 1.022,485 1.252,486 1.018,487 0.981,488 0.856,489 0.544,490 0.861,491 1.053,492 0.907,493 1.055,494 0.946,495 0.748,496 0.985,497 0.903,498 1.14,499 1.041,500 1.192,501 1.015,502 1.151,503 1.046,504 0.949,505 0.941,506 0.965,507 1.082,508 0.953,509 1.272,510 1.022,511 1.066,512 1.024,513 1.249,514 1.025,515 1.295,516 1.021,517 1.07,518 1.05,519 1.205,520 1.038,521 1.105,522 1.02,523 0.966,524 1.082,525 1,526 1.032,527 6,528 0.136,529 4.444,530 2,531 1.693,532 1.118,533 0.784,534 0.5,535 0.403,536 0.275,537 20895,538 48384,539 2.141,540 47,542 31,550 1.763,551 2.039,552 3.825,553 -0.794,559 97.134,560 1.472,561 3.144,562 4.041,563 4.915,564 5.336,565 5.336,566 3.279,567 4.708,568 5.103,569 4.027,570 2396.07,571 8.93,572 39113,577 398.93,578 1.271,579 5.076,580 0.154,581 0.004,582 0.082,583 0.034,584 0.033,585 0.023,586 0.018,587 0.013,588 0.011,589 0.008,590 0.38,591 0.33,592 0.75,593 0.597,594 192.649,595 0.018,596 -0.301,597 0.082,598 -0.121,599 0.05,600 -0.032,601 -0.122,602 0.128,603 -0.012,604 0.107,605 0.002,606 0.076,607 0.03,608 0.156,609 -0.082,610 0.037,611 0.038,612 -0.021,613 -0.012,614 -0.17,615 -0.082,616 -0.169,617 -0.038,618 -0.142,619 0.038,620 -0.024,621 0.063,622 0.024,623 -0.026,624 0.041,625 -0.075,626 -0.062,627 -0.058,628 -0.049,629 -0.118,630 -0.052,631 -0.092,632 -0.047,633 -0.067,634 -0.072,635 -0.086,636 -0.066,637 0.122,638 -0.083,639 0.038,640 -0.083,641 0.111,642 -0.044,643 1.675,644 5.864,645 0.8,646 41.91,647 0.995,648 1.126,649 2.456,650 6.031,651 0.664,652 3.689,653 4.007,654 4.304,655 4.554,656 4.82,657 4.86,658 5.004,659 5.112,660 5.204,661 5.22,662 8.659,663 0.627,664 469.64,665 3.689,666 5.231,667 6.089,668 6.963,669 7.836,670 8.714,671 9.591,672 10.472,673 11.352,674 12.233,675 7.6,678 1,681 2,682 1,684 1,687 2,688 10,693 4,695 17,697 1,709 2,712 1,714 66,716 19,717 3,718 39,720 70,721 28,722 16,723 6,724 10,730 5,731 6,744 1,745 17,746 10,750 1,755 1,759 1,764 31,765 7,767 7,773 5,777 0.8,778 2,793 5,797 1,806 1,815 1,819 4,823 1,827 35,833 9,835 1,838 4,840 1,843 1,845 1,847 3,850 1,852 1,854 17.167,855 12.167,856 7.75,857 4.075,858 3.552,859 1.419,860 0.996,861 7.197,862 12.038,863 3.942,864 4.477,865 5.061,866 5.613,867 6.17,868 6.395,869 6.767,870 7.093,871 7.441,872 7.435,873 0.9,874 58,875 12.987,877 5.51,878 7.619,879 25.33,881 21.134,883 2.119,884 74.167,888 364.904,889 164.992,890 43.557,892 36.145,895 164.992,896 401.049,897 43.557,898 8.396,899 24.562,900 94.762,901 46.451,902 70.521,904 364.904,906 364.904,907 208.548,908 36.145,911 364.904,912 36.145,915 58.746,916 149.802,919 364.904,920 79.701,921 164.992,924 364.904,925 45.231,926 115.656,927 16.602,928 67.204,929 364.904,930 79.701,931 164.992,933 0.578,934 0.347,935 0.188,936 0.106,937 26,938 11,939 0.071,940 5,941 1,942 1.071,943 4.671,944 329.869,945 0.071,946 28,947 167.525,951 23.629,952 10.66,953 5.281,954 2.334,955 79.701,956 20.095,961 3.545,964 609.597,965 50.5,970 12.864,974 -0.009,975 65.65,976 74.308,977 0.243,978 0.52,979 0.669,980 0.813,981 0.883,982 0.883,983 5.194,984 1.55,985 6.061,986 6.04,987 4.691,988 5.165,989 3.068,990 6.866,991 4.608,992 6.376,993 1.531,994 7.615,995 4.487,996 4.205,997 4.879,998 1.865,999 7.766,1000 4.07,1001 7.669,1002 1.477,1003 9.27,1004 3.939,1005 6.279,1006 7.312,1007 4.144,1008 10.863,1009 6.113,1010 8.994,1011 1.394,1012 10.985,1013 3.349,1014 6.635,1015 7.916,1016 3.319,1017 12.613,1018 6.426,1019 10.355,1020 1.075,1021 12.741,1022 3.232,1023 8.145,1024 9.806,1025 5.472,1026 15.22,1027 7.909,1028 11.74,1029 1,1030 14.524,1031 2.719,1032 8.895,1033 10.848,1034 4.857,1035 17.319,1036 8.626,1037 13.146,1038 1,1039 16.327,1040 2.275,1041 10.171,1042 12.51,1043 6.86,1044 19.763,1045 9.876,1046 3.146,1047 0.828,1048 18.145,1049 2.275,1050 11.113,1051 13.775,1052 6.371,1053 22.01,1054 10.79,1055 3.027,1056 10.889,1057 19.975,1058 2.016,1059 12.29,1060 15.335,1061 8.267,1062 24.398,1063 11.942,1064 2.765,1065 10.166,1066 21.815,1067 4.479,1068 13.324,1069 16.712,1070 7.856,1071 26.71,1072 12.952,1073 2.617,1074 8.55,1075 23.661,1076 3.918,1077 14.463,1078 18.228,1079 9.683,1080 29.081,1081 14.067,1082 2.33,1083 7.96,1084 25.515,1085 3.218,1086 15.542,1087 19.661,1088 9.324,1089 31.423,1090 15.122,1091 2.17,1092 6.665,1093 27.373,1094 3.092,1095 16.667,1096 21.16,1097 11.104,1098 33.79,1099 16.224,1100 2.117,1101 6.22,1102 29.236,1103 2.917,1104 17.769,1105 22.621,1106 10.781,1107 36.146,1108 17.303,1109 19365,1110 29635,1111 26.641,1112 43.836,1113 59.624,1114 61.814,1115 59.762,1116 58.02,1117 57.992,1118 72.959,1119 15.866,1120 165.35,1121 55.611,1122 5.558,1123 6.073,1124 6.394,1125 5.199,1126 5.146,1127 7.479,1128 4.09,1129 18.043,1130 5.076,1131 14.286,1132 1.529,1133 1.585,1134 1.532,1135 1.488,1136 1.487,1137 1.871,1138 0.407,1139 4.24,1140 1.426,1141 4.108,1142 4.133,1143 4.064,1144 4.05,1145 7.427,1146 4.051,1147 3.969,1148 4.011,1149 3.912,1150 3.878,1151 6.82,1152 3.881,1153 3.793,1154 3.864,1155 3.692,1156 3.597,1157 4.936,1158 3.608,1159 3.763,1160 3.813,1161 3.666,1162 3.581,1163 4.711,1164 3.596,1165 3.521,1166 3.555,1167 3.429,1168 3.383,1169 4.555,1170 3.386,1171 3.356,1172 3.402,1173 3.258,1174 3.162,1175 4.358,1176 3.181,1177 3.203,1178 3.295,1179 3.143,1180 3.031,1181 4.262,1182 3.051,1183 3.183,1184 3.236,1185 3.058,1186 3.005,1187 4.063,1188 3.006,1189 0.117,1190 0.104,1191 0.172,1192 0.106,1193 0.081,1194 4.558,1195 0.115,1196 4.073,1197 0.053,1198 6.702,1199 0.279,1200 4.122,1201 0.079,1202 3.146,1203 4.479,1204 2.055,1205 10.889,1206 3.076,1207 2.074,1208 2.056,1209 2.15,1210 2.149,1211 1.349,1212 2.15,1213 1.93,1214 1.898,1215 2.043,1216 2.063,1217 1.299,1218 2.06,1219 1.747,1220 1.677,1221 1.959,1222 1.964,1223 1.216,1224 1.968,1225 1.713,1226 1.653,1227 1.898,1228 1.898,1229 1.037,1230 1.9,1231 1.483,1232 1.449,1233 1.655,1234 1.669,1235 0.825,1236 1.662,1237 1.301,1238 1.258,1239 1.545,1240 1.519,1241 0.825,1242 1.527,1243 1.184,1244 1.096,1245 1.513,1246 1.441,1247 0.762,1248 1.47,1249 1.153,1250 1.074,1251 1.513,1252 1.376,1253 0.672,1254 1.429,1255 4.369,1257 5.687,1259 7.213,1261 8.829,1263 10.491,1265 2.161,1271 6.78,1273 5.962,1276 8.805,1278 9.373,1279 2.257,1280 41.385,1281 97.134,1282 207.498,1283 266.691,1284 324.401,1285 352.175,1286 352.175,1287 56.888,1288 8.485,1289 63.05,1290 63.05,1291 30,1292 12.768,1293 4.322,1294 3.644,1295 52.554,1296 186,1297 165,1298 0.136,1299 252.152,1300 442,1301 607.01,1302 71779,1304 24.2,1305 0.691,1306 0.577,1307 24.2,1308 20.19,1309 17.119,1310 0.439,1311 0.314,1312 12.054,1313 16.468,1314 11.773,1315 9.683,1316 17.119,1317 12.231,1318 15.064,1319 0.279,1320 0.171,1321 15.064,1322 9.236,1323 13.234,1324 0.181,1325 0.096,1326 13.234,1327 7.034,1328 10.873,1329 0.116,1330 0.052,1331 10.873,1332 4.925,1333 9.275,1334 0.075,1335 0.029,1336 9.275,1337 3.591,1338 0.221,1339 106.972,1340 0.194,1341 32.76,1342 0.354,1343 186,1344 493.697,1345 201.443,1346 479.779,1347 660.12,1348 452,1349 220,1350 483.711,1351 237.415,1352 491.94,1353 718.72,1354 463,1355 9.292} {0 CHEMBL2112661,1 1.41,2 15.568,3 4.858,4 23.604,5 150.299,6 6.967,7 0.524,8 4.356,9 4.479,10 3.889,11 3.908,12 5.341,13 3.875,14 4.936,15 5.126,16 4.247,17 4.325,18 5.855,19 4.275,20 5.216,21 5.429,22 4.344,23 4.535,24 6.121,25 4.442,26 5.302,27 5.529,28 4.264,29 4.56,30 6.149,31 4.43,32 5.35,33 5.609,34 4.22,35 4.508,36 6.187,37 4.372,38 5.236,39 5.483,40 4.114,41 4.411,42 6.071,43 4.277,44 5.136,45 5.385,46 4.011,47 4.297,48 5.985,49 4.165,50 5.048,51 5.305,52 3.944,53 4.173,54 5.957,55 4.047,56 0.048,57 1.034,58 15.742,59 6.616,60 8.561,61 9.091,62 0.333,63 1.772,64 30.521,65 10.549,66 23.771,67 15.054,68 0.576,69 2.222,70 41.282,71 15.174,72 44.403,73 21.355,74 0.29,75 2.305,76 44.918,77 17.999,78 40.069,79 25.154,80 0.526,81 2.326,82 49.04,83 18.19,84 58.713,85 25.765,86 0.43,87 2.098,88 43.364,89 16.125,90 45.684,91 22.682,92 0.326,93 1.901,94 39.195,95 14.489,96 40.192,97 20.457,98 0.433,99 1.704,100 36.405,101 13.234,102 47.621,103 18.653,104 5,105 59,106 0.218,107 0.457,108 0.59,109 0.725,110 0.814,111 0.833,112 3.642,113 0.947,114 -4.68,115 -4.6,116 -4.32,119 43.7,124 1,125 9,140 13,141 4,142 3,156 1,169 16,171 1,172 6,178 20,181 4,182 8,189 17,193 6,199 8,202 2,203 12,211 3,214 1,215 11,226 9,236 3,237 13,249 10,259 2570,260 25.654,261 25.654,262 25.654,263 25.654,264 25.654,265 23.027,266 29.129,267 15.098,268 26.193,269 20.745,270 20.745,271 20.745,272 20.745,273 20.745,274 16.716,275 41.742,276 7.153,277 21.59,278 4.74,279 3.2,280 2.338,281 1.467,282 0.895,283 0.771,284 4.364,289 1,290 1300,291 3.24,295 653.825,299 359.11,302 2.359,303 22.95,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 78,315 576,316 4.558,317 3.742,318 6.702,319 4.122,320 3.146,321 4.479,322 2.055,323 10.889,324 3.076,325 4.533,326 3.288,327 6.69,328 4.103,329 3.128,330 4.447,331 0.933,332 10.831,333 3.058,334 3.972,335 3.256,336 6.032,337 3.754,338 2.798,339 3.22,340 0.8,341 8.597,342 2.666,343 3.827,344 2.897,345 5.797,346 3.561,347 2.62,348 3.124,349 0.8,350 7.962,351 2.46,352 3.702,353 2.696,354 5.738,355 3.393,356 2.436,357 3.024,358 0.8,359 7.696,360 2.325,361 3.578,362 2.656,363 5.256,364 3.247,365 2.315,366 2.913,367 0.51,368 6.657,369 2.153,370 3.339,371 2.419,372 5.045,373 3.086,374 2.145,375 2.427,377 6.04,378 2.014,379 3.118,380 2.23,381 4.672,382 2.701,383 1.713,384 2.416,386 4.767,387 1.684,388 3.021,389 1.665,390 4.581,391 2.618,392 1.618,393 2.133,395 4.485,396 1.618,397 2.925,398 1.638,399 4.207,400 2.514,401 1.548,402 2.097,404 3.829,405 1.492,406 2.781,407 1.618,408 4,409 2.41,410 1.429,411 1.886,413 3.476,414 1.399,415 2.764,416 1.531,417 3.971,418 2.307,419 1.329,420 1.834,422 3.307,423 1.296,424 2.551,425 1.333,426 3.582,427 2.233,428 1.246,429 1.53,431 2.786,432 1.224,433 2.247,434 1.262,435 3.414,436 1.967,437 1,438 1.151,440 2.275,441 0.965,442 2.147,443 1.146,444 3.414,445 1.967,446 1,447 1.021,449 2.275,450 0.965,451 17.767,452 0.48,453 0.777,454 0.021,455 47.75,456 1.291,457 23,458 0.622,459 24.75,460 0.669,461 33.437,462 0.904,463 39.233,464 0.553,465 37.728,466 1.02,467 9.53,468 0.258,469 8.623,470 0.233,471 0.047,473 0.315,479 0.805,480 1.432,481 0.823,482 1.138,483 0.58,484 1.004,485 1.295,486 1.014,487 0.994,488 0.858,489 0.678,490 0.869,491 1.08,492 0.895,493 1.062,494 0.935,495 0.913,496 0.978,497 0.935,498 1.174,499 1.059,500 1.188,501 1.163,502 1.151,503 1.074,504 0.943,505 0.959,506 0.957,507 1.138,508 0.953,509 1.195,510 1.042,511 1.061,512 1.055,513 1.069,514 1.051,515 1.194,516 1.106,517 1.047,518 1.09,519 1.095,520 1.062,521 1.133,522 0.973,523 0.944,524 0.996,525 1.277,526 0.964,527 6,528 0.136,529 4.667,530 2.063,531 1.867,532 1.063,533 0.762,534 0.521,535 0.44,536 0.299,537 25566,538 53095,539 2.197,540 47.9,542 34,550 1.776,551 2.114,552 3.882,553 -0.832,559 100.078,560 1.41,561 2.95,562 3.812,563 4.683,564 5.255,565 5.379,566 3.352,567 4.831,568 5.184,569 4.083,570 2719.53,571 9.088,572 46312.6,577 436.632,578 1.181,579 5.165,580 0.143,581 0.004,582 0.079,583 0.033,584 0.033,585 0.02,586 0.016,587 0.012,588 0.011,589 0.008,590 0.36,591 0.33,592 0.75,593 0.368,594 207.244,595 0.035,596 -0.261,597 0.09,598 -0.093,599 0.008,600 -0.014,601 -0.106,602 0.144,603 -0.011,604 0.102,606 0.069,607 0.044,608 0.177,609 -0.079,610 0.044,611 0.038,612 -0.015,613 -0.03,614 -0.195,615 -0.095,616 -0.172,617 -0.074,618 -0.147,619 0.04,620 0.003,621 0.044,622 0.026,623 -0.007,624 0.033,625 -0.038,626 -0.079,627 -0.061,628 -0.07,629 -0.056,630 -0.07,631 -0.057,632 -0.143,633 -0.047,634 -0.108,635 -0.031,636 -0.082,637 0.134,638 -0.028,639 0.074,640 -0.023,641 0.126,642 0.011,643 1.62,644 6.005,645 0.865,646 44.904,647 0.99,648 1.122,649 3.453,650 11.922,651 0.667,652 3.761,653 4.094,654 4.407,655 4.682,656 4.97,657 5.024,658 5.182,659 5.308,660 5.425,661 5.438,662 9.016,663 0.626,664 494.69,665 3.761,666 5.313,667 6.18,668 7.062,669 7.943,670 8.829,671 9.714,672 10.602,673 11.49,674 12.379,675 5.6,678 1,681 2,682 1,687 4,688 13,693 3,695 22,709 2,712 1,714 71,716 23,717 4,718 42,720 76,721 31,722 20,723 7,724 13,730 6,731 8,745 21,746 10,750 1,755 1,759 1,764 34,765 6,767 6,773 4,777 0.667,778 2,793 6,797 2,806 1,815 1,819 4,823 1,827 37,833 9,835 1,838 4,847 2.8,850 1,852 1,854 17.5,855 12.967,856 8.028,857 4.414,858 4.502,859 1.5,860 1.024,861 7.01,862 13.505,863 4.007,864 4.605,865 5.223,866 5.824,867 6.423,868 6.694,869 7.097,870 7.466,871 7.816,872 7.729,873 1,874 63,875 13.756,877 5.891,878 7.482,879 27.186,881 23.082,883 1.982,884 73.333,888 400.217,889 178.779,890 12.497,892 36.145,895 178.779,896 436.362,897 12.497,898 8.396,899 24.562,900 123.191,901 29.85,902 41.422,904 400.217,906 400.217,907 191.276,908 36.145,911 400.217,912 36.145,915 27.687,916 163.59,919 400.217,920 48.642,921 178.779,924 400.217,925 47.191,926 144.085,928 36.145,929 400.217,930 48.642,931 178.779,933 0.583,934 0.348,935 0.191,936 0.109,937 30,938 12,939 0.066,940 5,941 2,942 1.125,943 4.886,944 365.129,945 0.125,946 32,947 182.75,951 24.233,952 10.704,953 5.17,954 4.888,955 48.642,956 27.544,961 3.234,964 627.639,965 54,970 13.005,974 0.046,975 70.316,976 79.64,977 0.229,978 0.48,979 0.62,980 0.761,981 0.855,982 0.875,983 5.255,984 1.713,985 6.155,986 6.04,987 4.779,988 5.293,989 2.581,990 6.971,991 4.705,992 6.441,993 1.618,994 7.713,995 4.767,996 4.29,997 5.066,998 1.865,999 7.881,1000 4.168,1001 7.742,1002 1.548,1003 9.372,1004 4.485,1005 6.375,1006 7.507,1007 3.36,1008 10.997,1009 6.229,1010 9.079,1011 1.429,1012 11.094,1013 3.829,1014 6.735,1015 8.175,1016 3.319,1017 12.767,1018 6.55,1019 10.453,1020 1.329,1021 12.856,1022 3.476,1023 8.255,1024 10.077,1025 4.565,1026 15.393,1027 8.048,1028 11.853,1029 1.246,1030 14.647,1031 3.307,1032 9.014,1033 11.18,1034 4.857,1035 17.513,1036 8.781,1037 13.274,1038 1,1039 16.458,1040 2.786,1041 10.299,1042 12.854,1043 5.902,1044 19.976,1045 10.045,1046 3.146,1047 1,1048 18.284,1049 2.275,1050 11.252,1051 14.169,1052 6.371,1053 22.244,1054 10.978,1055 3.128,1056 10.889,1057 20.123,1058 2.275,1059 12.439,1060 15.743,1061 7.287,1062 24.652,1063 12.145,1064 2.798,1065 10.831,1066 21.971,1067 4.479,1068 13.485,1069 17.156,1070 7.856,1071 26.984,1072 13.173,1073 2.62,1074 8.597,1075 23.826,1076 4.447,1077 14.634,1078 18.686,1079 8.696,1080 29.373,1081 14.303,1082 2.436,1083 7.962,1084 25.688,1085 3.22,1086 15.725,1087 20.145,1088 9.324,1089 31.734,1090 15.375,1091 2.315,1092 7.696,1093 27.556,1094 3.124,1095 16.86,1096 21.655,1097 10.117,1098 34.118,1099 16.492,1100 2.145,1101 6.657,1102 29.428,1103 3.024,1104 17.973,1105 23.134,1106 10.781,1107 36.491,1108 17.587,1109 23077,1110 33426,1111 29.126,1112 47.353,1113 63.404,1114 64.207,1115 64.511,1116 63.098,1117 63.064,1118 80.566,1119 11.797,1120 181.642,1121 60.768,1122 5.558,1123 5.742,1124 6.391,1125 5.2,1126 5.146,1127 7.479,1128 3.661,1129 18.043,1130 5.076,1131 11.943,1132 1.51,1133 1.529,1134 1.536,1135 1.502,1136 1.502,1137 1.918,1138 0.281,1139 4.325,1140 1.447,1141 4.125,1142 4.151,1143 4.078,1144 4.067,1145 7.427,1146 4.066,1147 4.076,1148 4.1,1149 4.034,1150 4.029,1151 4.943,1152 4.027,1153 3.814,1154 3.874,1155 3.724,1156 3.615,1157 4.893,1158 3.632,1159 3.789,1160 3.861,1161 3.673,1162 3.597,1163 4.555,1164 3.606,1165 3.54,1166 3.572,1167 3.454,1168 3.398,1169 4.38,1170 3.402,1171 3.452,1172 3.496,1173 3.356,1174 3.361,1175 4.353,1176 3.353,1177 3.347,1178 3.394,1179 3.241,1180 3.165,1181 4.233,1182 3.181,1183 3.203,1184 3.295,1185 3.059,1186 3.007,1187 4.063,1188 3.008,1189 0.109,1190 0.089,1191 0.16,1192 0.098,1193 0.075,1194 4.558,1195 0.107,1196 3.742,1197 0.049,1198 6.702,1199 0.259,1200 4.122,1201 0.073,1202 3.146,1203 4.479,1204 2.055,1205 10.889,1206 3.076,1207 2.076,1208 2.056,1209 2.16,1210 2.151,1211 1.35,1212 2.154,1213 2.073,1214 2.055,1215 2.15,1216 2.144,1217 1.345,1218 2.149,1219 1.755,1220 1.692,1221 1.959,1222 1.976,1223 1.217,1224 1.974,1225 1.742,1226 1.67,1227 1.943,1228 1.955,1229 1.208,1230 1.958,1231 1.496,1232 1.463,1233 1.666,1234 1.684,1235 0.825,1236 1.673,1237 1.46,1238 1.419,1239 1.644,1240 1.584,1241 0.825,1242 1.607,1243 1.3,1244 1.258,1245 1.544,1246 1.512,1247 0.768,1248 1.523,1249 1.184,1250 1.096,1251 1.513,1252 1.441,1253 0.696,1254 1.47,1255 4.443,1257 5.771,1259 7.31,1261 8.94,1263 10.617,1265 2.174,1271 7.287,1273 6.026,1276 9.13,1280 44.417,1281 100.078,1282 209.427,1283 270.652,1284 332.493,1285 373.122,1286 381.877,1287 52.115,1288 9.002,1289 39.26,1290 39.26,1291 36,1292 12.909,1293 4.585,1294 3.7,1295 51.416,1296 206,1297 184,1298 0.12,1299 266.741,1300 459.64,1301 642.608,1302 139156,1304 25.192,1305 0.681,1306 0.58,1307 25.192,1308 21.475,1309 18.153,1310 0.432,1311 0.316,1312 13.082,1313 17.546,1314 12.776,1315 10.5,1316 18.153,1317 13.252,1318 16.25,1319 0.275,1320 0.171,1321 16.25,1322 10.105,1323 14.372,1324 0.177,1325 0.096,1326 14.372,1327 7.777,1328 12.083,1329 0.113,1330 0.052,1331 12.083,1332 5.565,1333 10.514,1334 0.074,1335 0.029,1336 10.514,1337 4.124,1338 0.195,1339 112.825,1340 0.185,1341 34.295,1342 0.31,1343 202,1344 492.052,1345 216.75,1346 478.285,1347 672.29,1348 454,1349 241,1350 504.302,1351 257.749,1352 513.062,1353 756.41,1354 485,1355 9.056} {0 CHEMBL2112662,1 1.403,2 15.457,3 4.348,4 18.902,5 143.004,6 6.658,7 0.436,8 4.341,9 4.473,10 3.829,11 3.862,12 5.297,13 3.823,14 4.934,15 5.14,16 4.173,17 4.272,18 5.813,19 4.212,20 5.197,21 5.414,22 4.253,23 4.485,24 6.077,25 4.379,26 5.323,27 5.573,28 4.15,29 4.504,30 6.118,31 4.351,32 5.342,33 5.627,34 4.127,35 4.422,36 6.135,37 4.279,38 5.158,39 5.394,40 4.069,41 4.354,42 6.003,43 4.227,44 5.163,45 5.417,46 3.959,47 4.295,48 5.985,49 4.148,50 5.09,51 5.371,52 3.871,53 4.157,54 5.917,55 4.011,56 0.057,57 1.039,58 16.625,59 6.648,60 8.753,61 9.461,62 0.36,63 1.736,64 31.811,65 10.377,66 24.438,67 15.535,68 0.568,69 2.141,70 41.475,71 15.01,72 43.268,73 21.634,74 0.314,75 2.26,76 46.884,77 18.039,78 40.712,79 25.934,80 0.582,81 2.185,82 49.194,83 16.954,84 58.487,85 24.91,86 0.401,87 1.919,88 40.132,89 14.722,90 40.053,91 21.005,92 0.355,93 1.886,94 40.49,95 14.562,96 42.124,97 21.05,98 0.484,99 1.694,100 38.222,101 13.188,102 45.911,103 19.307,104 10,105 54,106 0.219,107 0.475,108 0.663,109 0.784,110 0.839,111 0.843,112 3.588,113 0.977,114 -4.18,115 -4.12,116 -3.9,119 40.8,120 1,124 1,125 10,140 10,141 4,142 2,156 1,169 14,171 1,172 5,178 17,181 4,182 7,189 13,193 6,199 4,202 2,203 11,211 1,214 1,215 10,226 8,236 3,237 11,249 9,259 2318,260 23.947,261 23.947,262 23.947,263 23.947,264 23.947,265 21.778,266 30.534,267 14.139,268 24.487,269 19.247,270 19.247,271 19.247,272 19.247,273 19.247,274 15.959,275 41.697,276 6.733,277 20.087,278 4.746,279 3.108,280 1.908,281 1.13,282 0.782,283 0.754,284 4.298,289 1,290 1195,291 3.317,295 567.145,299 173.469,302 2.387,303 22.243,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 74,315 541,316 4.558,317 3.741,318 6.702,319 4.122,320 3.146,321 4.479,322 2.055,323 10.889,324 3.076,325 4.178,326 3.287,327 6.073,328 3.849,329 2.879,330 3.779,331 0.933,332 8.792,333 2.814,334 3.967,335 3.122,336 6.018,337 3.741,338 2.772,339 3.218,340 0.916,341 8.546,342 2.662,343 3.824,344 2.897,345 5.797,346 3.56,347 2.619,348 3.095,349 0.8,350 7.961,351 2.459,352 3.586,353 2.72,354 5.283,355 3.29,356 2.357,357 2.917,358 0.8,359 6.726,360 2.192,361 3.408,362 2.664,363 5.241,364 3.214,365 2.275,366 2.462,367 0.51,368 6.596,369 2.129,370 3.338,371 2.418,372 5.045,373 3.081,374 2.14,375 2.416,376 0.172,377 6.04,378 2.011,379 2.929,380 2.176,381 4.581,382 2.524,383 1.55,384 2.121,386 4.487,387 1.508,388 2.883,389 1.665,390 4.226,391 2.507,392 1.531,393 2.042,395 3.928,396 1.487,397 2.829,398 1.649,399 4.088,400 2.414,401 1.416,402 1.937,404 3.555,405 1.414,406 2.78,407 1.531,408 3.98,409 2.404,410 1.414,411 1.834,413 3.318,414 1.396,415 2.565,416 1.471,417 3.598,418 2.297,419 1.323,420 1.536,422 2.963,423 1.279,424 2.244,425 1.333,426 3.414,427 1.967,428 1,429 1.146,431 2.275,432 0.965,433 2,434 1.146,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 1.146,444 3.38,445 1.815,446 0.832,447 1,449 2.021,450 0.815,451 16.767,452 0.479,453 0.78,454 0.022,455 41.75,456 1.193,457 18.5,458 0.529,459 23.25,460 0.664,461 33.595,462 0.96,463 38.433,464 0.541,465 32.536,466 0.93,467 8.42,468 0.241,469 8.643,470 0.247,471 0.08,473 0.304,479 0.815,480 1.531,481 0.877,482 1.225,483 0.594,484 1.081,485 1.322,486 1,487 1.012,488 0.852,489 0.674,490 0.87,491 1.064,492 0.979,493 1.129,494 1.04,495 0.934,496 1.076,497 0.886,498 1.198,499 1.045,500 1.208,501 1.128,502 1.16,503 1.111,504 0.818,505 0.87,506 0.815,507 1.111,508 0.818,509 1.244,510 1.091,511 1.09,512 1.104,513 1.137,514 1.091,515 1.222,516 1.137,517 1.084,518 1.122,519 1.261,520 1.1,521 1.075,522 0.881,523 0.897,524 0.892,525 0.985,526 0.883,527 6.5,528 0.132,529 4.222,530 1.75,531 1.893,532 1.014,533 0.662,534 0.502,535 0.46,536 0.258,537 21495,538 43368,539 2.141,540 50.7,541 3,542 33,550 1.762,551 2.039,552 3.871,553 -0.822,559 99.633,560 1.403,561 3.042,562 4.242,563 5.019,564 5.368,565 5.396,566 3.372,567 4.708,568 5.101,569 4.074,570 2424.11,571 8.924,572 40015.8,577 436.632,578 1.271,579 5.076,580 0.167,581 0.004,582 0.078,583 0.031,584 0.039,585 0.021,586 0.015,587 0.013,588 0.013,589 0.007,590 0.389,591 0.5,592 0.75,593 0.45,594 193.431,595 0.041,596 -0.297,597 0.089,598 -0.114,599 0.008,600 -0.027,601 -0.106,602 0.174,603 0.007,604 0.127,605 0.012,606 0.094,607 0.048,608 0.113,609 -0.132,610 -0.032,611 0.031,612 -0.088,613 -0.006,614 -0.226,615 -0.078,616 -0.187,617 -0.056,618 -0.149,619 0.047,620 0.112,621 0.135,622 0.14,623 0.029,624 0.147,625 -0.048,626 -0.095,627 -0.091,628 -0.097,629 -0.067,630 -0.1,631 -0.078,632 -0.171,633 -0.088,634 -0.133,635 -0.093,636 -0.117,637 0.116,638 0.049,639 0.111,640 0.063,641 0.121,642 0.081,643 1.604,644 5.869,645 0.8,646 44.02,647 0.989,648 1.128,649 2.948,650 8.692,651 0.649,652 3.689,653 4.007,654 4.277,655 4.511,656 4.787,657 4.812,658 4.934,659 5.075,660 5.193,661 5.198,662 8.893,663 0.605,664 472.69,665 3.689,666 5.231,667 6.08,668 6.948,669 7.812,670 8.683,671 9.552,672 10.426,673 11.298,674 12.174,675 5.6,678 2,681 1,682 1,687 2,688 10,693 4,695 17,709 1,712 1,714 71,716 18,717 3,718 39,720 75,721 29,722 16,723 6,724 10,730 5,731 6,736 1,745 17,746 12,750 1,755 1,759 1,764 36,765 6,767 6,773 4,777 0.8,778 2,793 5,797 1,806 1,815 2,819 4,823 2,827 35,833 10,835 1,838 4,847 2.8,850 1,852 1,854 17.167,855 13.217,856 7.639,857 4.387,858 3.239,859 1.383,860 0.994,861 7.568,862 11.685,863 3.902,864 4.454,865 4.996,866 5.529,867 6.096,868 6.306,869 6.663,870 7.037,871 7.386,872 7.38,873 1,874 56,875 13.025,877 5.482,878 7.476,879 25.813,881 21.596,883 1.976,884 69.167,888 423.76,889 159.75,890 12.497,892 36.145,895 159.75,896 459.904,897 12.497,898 17.222,899 26.668,900 94.762,901 29.85,902 39.89,904 423.76,906 423.76,907 172.247,908 36.145,911 423.76,912 36.145,915 41.742,916 130.505,919 423.76,920 48.642,921 159.75,924 423.76,925 47.766,926 124.481,928 36.145,929 423.76,930 48.642,931 159.75,933 0.582,934 0.34,935 0.177,936 0.102,937 26,938 11,939 0.08,940 6,941 1,942 1.071,943 4.725,944 325.961,945 0.071,946 28,947 169.525,951 24.113,952 10.985,953 5.802,954 2.386,955 48.642,956 21.155,961 4.691,964 632.151,965 48.5,970 12.869,974 0.063,975 70.199,976 80.055,977 0.228,978 0.495,979 0.69,980 0.816,981 0.873,982 0.877,983 5.149,984 1.55,985 6.052,986 6.04,987 4.691,988 5.142,989 2.622,990 6.836,991 4.612,992 6.32,993 1.531,994 7.594,995 4.487,996 4.205,997 4.879,998 1.865,999 7.678,1000 4.081,1001 7.607,1002 1.416,1003 9.235,1004 3.928,1005 6.263,1006 7.273,1007 3.377,1008 10.762,1009 6.108,1010 8.926,1011 1.414,1012 10.933,1013 3.555,1014 6.594,1015 7.875,1016 3.325,1017 12.448,1018 6.406,1019 10.28,1020 1.323,1021 12.67,1022 3.318,1023 8.102,1024 9.756,1025 4.569,1026 15.044,1027 7.886,1028 11.658,1029 1,1030 14.434,1031 2.963,1032 8.821,1033 10.79,1034 4.859,1035 17.097,1036 8.583,1037 13.056,1038 1,1039 16.218,1040 2.275,1041 10.095,1042 12.452,1043 5.903,1044 19.531,1045 9.832,1046 3.146,1047 0.832,1048 18.017,1049 2.275,1050 11.008,1051 13.712,1052 6.371,1053 21.754,1054 10.728,1055 2.879,1056 10.889,1057 19.829,1058 2.021,1059 12.18,1060 15.275,1061 7.288,1062 24.136,1063 11.878,1064 2.772,1065 8.792,1066 21.651,1067 4.479,1068 13.193,1069 16.65,1070 7.856,1071 26.44,1072 12.875,1073 2.619,1074 8.546,1075 23.481,1076 3.779,1077 14.324,1078 18.17,1079 8.696,1080 28.811,1081 13.986,1082 2.357,1083 7.961,1084 25.319,1085 3.218,1086 15.387,1087 19.604,1088 9.324,1089 31.154,1090 15.032,1091 2.275,1092 6.726,1093 27.164,1094 3.095,1095 16.505,1096 21.107,1097 10.117,1098 33.526,1099 16.131,1100 2.14,1101 6.596,1102 29.014,1103 2.917,1104 17.595,1105 22.571,1106 10.781,1107 35.889,1108 17.204,1109 19863,1110 28371,1111 26.641,1112 46.114,1113 58.312,1114 59.134,1115 59.494,1116 58.003,1117 57.96,1118 71.672,1119 12.374,1120 164.179,1121 55.695,1122 5.558,1123 5.741,1124 6.389,1125 5.198,1126 5.146,1127 7.479,1128 3.661,1129 18.043,1130 5.076,1131 14.268,1132 1.495,1133 1.516,1134 1.525,1135 1.487,1136 1.486,1137 1.838,1138 0.317,1139 4.21,1140 1.428,1141 4.108,1142 4.133,1143 4.064,1144 4.051,1145 7.427,1146 4.051,1147 3.964,1148 4.006,1149 3.89,1150 3.891,1151 4.937,1152 3.885,1153 3.812,1154 3.869,1155 3.722,1156 3.618,1157 4.744,1158 3.635,1159 3.789,1160 3.858,1161 3.673,1162 3.597,1163 4.555,1164 3.606,1165 3.537,1166 3.57,1167 3.447,1168 3.387,1169 4.361,1170 3.392,1171 3.385,1172 3.433,1173 3.293,1174 3.196,1175 4.304,1176 3.216,1177 3.206,1178 3.299,1179 3.062,1180 3.03,1181 4.065,1182 3.014,1183 3.172,1184 3.257,1185 2.981,1186 3.007,1187 3.901,1188 3.002,1189 0.117,1190 0.096,1191 0.172,1192 0.106,1193 0.081,1194 4.558,1195 0.115,1196 3.741,1197 0.053,1198 6.702,1199 0.279,1200 4.122,1201 0.079,1202 3.146,1203 4.479,1204 2.055,1205 10.889,1206 3.076,1207 2.074,1208 2.056,1209 2.15,1210 2.149,1211 1.349,1212 2.15,1213 1.945,1214 1.914,1215 2.076,1216 2.062,1217 1.324,1218 2.067,1219 1.759,1220 1.695,1221 1.96,1222 1.968,1223 1.216,1224 1.971,1225 1.743,1226 1.671,1227 1.948,1228 1.948,1229 1.163,1230 1.955,1231 1.489,1232 1.455,1233 1.659,1234 1.687,1235 0.825,1236 1.674,1237 1.332,1238 1.287,1239 1.556,1240 1.54,1241 0.825,1242 1.546,1243 1.209,1244 1.131,1245 1.55,1246 1.448,1247 0.778,1248 1.478,1249 1.186,1250 1.098,1251 1.522,1252 1.418,1253 0.69,1254 1.469,1255 4.369,1257 5.687,1259 7.204,1261 8.808,1263 10.455,1265 4.334,1271 8.494,1273 5.995,1276 9.18,1280 42.944,1281 99.633,1282 215.982,1283 301.148,1284 356.367,1285 381.122,1286 383.122,1287 53.164,1288 8.446,1289 39.26,1290 39.26,1291 30,1292 12.714,1293 4.248,1294 3.392,1295 52.594,1296 190,1297 175,1298 0.132,1299 260.804,1300 453.58,1301 628.123,1302 69607,1304 24.2,1305 0.691,1306 0.599,1307 24.2,1308 20.95,1309 17.064,1310 0.438,1311 0.326,1312 12.531,1313 16.453,1314 12.164,1315 10.041,1316 17.064,1317 12.704,1318 15.311,1319 0.284,1320 0.182,1321 15.311,1322 9.822,1323 13.137,1324 0.185,1325 0.104,1326 13.137,1327 7.417,1328 10.532,1329 0.117,1330 0.056,1331 10.532,1332 5.068,1333 9.084,1334 0.076,1335 0.032,1336 9.084,1337 3.777,1338 0.216,1339 106.327,1340 0.194,1341 32.932,1342 0.342,1343 186,1344 454.052,1345 200.417,1346 439.117,1347 609.04,1348 416,1349 218,1350 447.598,1351 234.416,1352 456.831,1353 667.98,1354 429,1355 9.26} {0 CHEMBL2112862,1 1.44,2 15.059,3 2.872,4 8.248,5 136.599,6 6.919,7 0.538,8 4.295,9 4.43,10 3.816,11 3.829,12 5.282,13 3.798,14 4.876,15 5.063,16 4.183,17 4.286,18 5.77,19 4.223,20 5.185,21 5.424,22 4.178,23 4.436,24 6.011,25 4.318,26 5.26,27 5.525,28 4.089,29 4.443,30 6.022,31 4.291,32 5.26,33 5.543,34 4.03,35 4.375,36 6.004,37 4.215,38 5.181,39 5.456,40 3.976,41 4.307,42 5.938,43 4.159,44 5.116,45 5.392,46 3.9,47 4.236,48 5.878,49 4.077,50 5.031,51 5.331,52 3.698,53 4.113,54 5.712,55 3.939,56 0.097,57 1.034,58 15.166,59 5.962,60 13.806,61 8.446,62 0.253,63 1.732,64 28.42,65 10.354,66 21.251,67 15.039,68 0.379,69 2.108,70 40.416,71 14.488,72 38.862,73 21.327,74 0.355,75 2.183,76 44.108,77 16.052,78 41.862,79 23.786,80 0.37,81 2.08,82 44.904,83 16.156,84 44.168,85 23.91,86 0.415,87 1.951,88 41.584,89 14.337,90 41.168,91 21.277,92 0.419,93 1.853,94 38.808,95 13.478,96 40.278,97 20.203,98 0.361,99 1.679,100 36.047,101 11.886,102 31.528,103 18.332,104 2,105 55,106 0.227,107 0.58,108 0.772,109 0.843,110 0.866,111 0.871,112 3.56,113 0.957,114 -4.79,115 -4.7,116 -4.41,119 40.9,121 5,125 3,127 3,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 7,178 14,182 3,185 1,186 8,189 10,193 6,195 1,197 5,199 8,203 6,206 1,208 5,211 10,215 5,218 1,220 1,222 7,226 6,229 3,231 1,233 4,236 1,237 5,242 3,244 3,249 1,254 2,256 6,259 2046,260 23.739,261 23.739,262 23.739,263 23.739,264 23.739,265 21.325,266 30.154,267 14.024,268 24.166,269 19.301,270 19.301,271 19.301,272 19.301,273 19.301,274 15.695,275 40.742,276 6.69,277 20.021,278 4.604,279 2.361,280 1.143,281 0.69,282 0.545,283 0.515,284 4.283,289 1,290 1169,291 3.082,294 260.878,295 310.35,298 307.488,302 2.294,303 20.469,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 512,316 4.568,317 3.478,318 6.726,319 4.165,320 3.184,321 4.518,322 0.8,323 10.951,324 3.124,325 4.396,326 3.196,327 6.566,328 4.099,329 3.118,330 3.913,331 0.657,332 10.431,333 3.062,334 4.129,335 2.903,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.578,343 3.671,344 2.871,345 5.579,346 3.595,347 2.644,348 2.813,350 7.512,351 2.517,352 3.443,353 2.518,354 5.402,355 3.223,356 2.273,357 2.708,359 6.818,360 2.154,361 3.396,362 2.265,363 5.136,364 3.047,365 2.073,366 2.593,368 6.082,369 2.017,370 3.249,371 2.18,372 5.084,373 2.972,374 2.006,375 2.509,377 5.975,378 1.925,379 3.126,380 2.001,381 4.742,382 2.73,383 1.776,384 2.174,386 4.917,387 1.69,388 2.934,389 1.795,390 4.514,391 2.662,392 1.675,393 2.052,395 4.655,396 1.65,397 2.758,398 1.449,399 4.134,400 2.344,401 1.354,402 1.848,404 3.482,405 1.338,406 2.741,407 1.37,408 3.622,409 2.313,410 1.328,411 1.838,413 2.936,414 1.307,415 2.428,416 1.173,417 3.569,418 2.094,419 1.129,420 1.403,422 2.565,423 1.087,424 2.264,425 1.077,426 3.453,427 1.984,428 1,429 1.208,431 2.275,432 0.983,433 2.118,434 0.991,435 3.414,436 1.868,437 0.904,438 1,440 2.162,441 0.869,442 2.065,443 0.912,444 3.315,445 1.788,446 0.821,447 0.984,449 2.052,450 0.791,451 16.233,452 0.477,453 0.688,454 0.02,455 40.75,456 1.199,457 18,458 0.529,459 22.75,460 0.669,461 33.128,462 0.974,463 36.567,464 0.554,465 28.081,466 0.826,467 7.635,468 0.225,469 9.107,470 0.268,471 0.021,473 0.326,479 0.951,480 1.312,481 0.86,482 1.069,483 0.881,484 0.974,485 1.049,486 1.12,487 1.007,488 1.035,489 0.821,490 1.015,491 1.028,492 1.058,493 1.059,494 1.067,495 0.955,496 1.067,497 0.822,498 1.02,499 1.033,500 1.093,501 0.725,502 1.087,503 0.851,504 0.969,505 0.912,506 1.01,507 0.963,508 0.981,509 1.121,510 0.942,511 0.996,512 0.961,513 1.233,514 0.972,515 0.86,516 1.038,517 1.003,518 1.052,519 0.947,520 1.051,521 0.859,522 0.871,523 1.01,524 0.924,525 0.647,526 0.965,527 5.5,528 0.098,529 3.778,530 2.021,531 1.383,532 1.032,533 0.515,534 0.319,535 0.239,536 0.173,537 21844,538 47622,539 2.234,540 48.5,541 2,542 16,543 1,544 2,545 3,547 4,548 4,550 1.752,551 2.17,552 3.829,553 0.782,559 95.038,560 1.44,561 3.683,562 4.902,563 5.355,564 5.499,565 5.529,566 3.248,567 4.631,568 5.064,569 4.06,570 2277.7,571 8.829,572 37399.6,577 398.93,578 1.083,579 5.051,580 0.141,581 0.004,582 0.069,583 0.039,584 0.03,585 0.024,586 0.013,587 0.009,588 0.008,589 0.006,590 0.342,591 0.17,592 0.88,593 0.299,594 187.057,595 0.013,596 -0.083,597 0.071,598 0.01,599 0.002,600 0.037,601 -0.059,602 0.036,603 -0.053,604 -0.008,605 -0.028,606 -0.026,607 -0.056,608 -0.041,609 -0.088,610 -0.057,611 0.003,612 -0.073,613 -0.021,614 -0.055,615 -0.067,616 -0.088,617 0.029,618 -0.082,619 0.045,620 -0.064,621 0.071,622 -0.013,623 0.053,624 0.024,625 -0.063,626 -0.01,627 -0.001,628 0.021,629 -0.077,630 0.015,631 0.075,632 -0.097,633 -0.017,634 -0.071,635 -0.022,636 -0.062,637 -0.047,638 0.07,639 -0.021,640 0.028,641 -0.056,642 0.013,643 1.642,644 4.563,645 0.853,646 39.304,647 0.991,648 1.13,649 3.557,650 12.655,651 0.657,652 3.689,653 4.025,654 4.344,655 4.635,656 4.82,657 4.898,658 5.043,659 5.187,660 5.204,661 5.257,662 8.944,663 0.617,664 456.65,665 3.689,666 5.242,667 6.111,668 6.997,669 7.88,670 8.769,671 9.657,672 10.548,673 11.439,674 12.331,675 9.1,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 66,716 21,717 2,718 39,720 71,721 27,722 16,723 5,724 7,730 6,731 8,740 6,743 8,745 16,746 11,764 32,765 5,766 3,767 7,773 6,777 0.667,778 1,780 1,788 1,792 3,793 3,796 2,814 1,815 1,817 1,819 4,827 34,832 1,833 8,834 1,837 3,838 1,844 1,847 1.5,848 1,854 15.667,855 11.333,856 7.333,857 4.196,858 3.763,859 1.429,860 1.001,861 6.124,862 12.532,863 3.922,864 4.511,865 5.116,866 5.709,867 6.146,868 6.478,869 6.908,870 7.312,871 7.46,872 7.67,873 0.9,874 52,875 12.623,877 5.498,878 7.471,879 25.091,881 21.923,883 1.971,884 67,888 341.362,889 128.639,890 73.146,892 42.683,895 128.639,896 384.045,897 73.146,899 18.99,900 136.075,901 74.105,902 36.695,903 13.915,904 306.049,906 341.362,907 201.784,908 42.683,911 247.193,912 94.169,913 42.683,915 76.047,916 92.412,917 33.326,919 341.362,920 115.829,921 128.639,924 341.362,925 36.02,926 97.642,927 34.796,928 76.009,929 341.362,930 115.829,931 128.639,933 0.582,934 0.348,935 0.195,936 0.101,937 29,938 11,939 0.099,940 7,941 2,942 1.138,943 4.785,944 320.928,945 0.138,946 29,947 164.974,951 21.843,952 9.532,953 4.535,954 2.457,955 97.144,956 20.523,957 7.841,958 3.417,961 5.026,962 1.942,963 77.48,964 585.83,965 49.5,975 65.425,976 74.597,977 0.238,978 0.609,979 0.811,980 0.886,981 0.91,982 0.915,983 5.172,984 1.776,985 6.084,986 5.975,987 4.71,988 5.198,989 1.038,990 6.901,991 4.641,992 6.351,993 1.675,994 7.64,995 4.917,996 4.205,997 4.89,998 0.325,999 7.789,1000 4.097,1001 7.645,1002 1.354,1003 9.295,1004 4.655,1005 6.304,1006 7.368,1007 0.607,1008 10.91,1009 6.174,1010 8.976,1011 1.328,1012 11.013,1013 3.482,1014 6.686,1015 8.004,1016 0.268,1017 12.677,1018 6.524,1019 10.347,1020 1.129,1021 12.771,1022 2.936,1023 8.196,1024 9.891,1025 0.359,1026 15.291,1027 8.016,1028 11.744,1029 1,1030 14.557,1031 2.565,1032 8.985,1033 10.97,1034 0.188,1035 17.414,1036 8.782,1037 13.163,1038 0.904,1039 16.364,1040 2.275,1041 10.263,1042 12.619,1043 0.214,1044 19.863,1045 10.044,1046 3.184,1047 0.821,1048 18.187,1049 2.162,1050 11.241,1051 13.912,1052 0.125,1053 22.131,1054 11.005,1055 3.118,1056 10.951,1057 20.022,1058 2.052,1059 12.428,1060 15.461,1061 0.129,1062 24.525,1063 12.177,1064 2.753,1065 10.431,1066 21.867,1067 4.518,1068 13.493,1069 16.856,1070 0.082,1071 26.854,1072 13.227,1073 2.644,1074 8.884,1075 23.72,1076 3.913,1077 14.646,1078 18.366,1079 0.079,1080 29.231,1081 14.365,1082 2.273,1083 7.512,1084 25.58,1085 3.731,1086 15.751,1087 19.81,1088 0.054,1089 31.586,1090 15.456,1091 2.073,1092 6.818,1093 27.445,1094 2.813,1095 16.893,1096 21.307,1097 0.048,1098 33.959,1099 16.584,1100 2.006,1101 6.082,1102 29.314,1103 2.708,1104 18.017,1105 22.776,1106 0.035,1107 36.325,1108 17.693,1109 19468,1110 28926,1111 27.334,1112 43.387,1113 59.341,1114 58.749,1115 59.288,1116 58.824,1117 58.809,1118 74.377,1119 2.915,1120 169.782,1121 56.727,1122 5.568,1123 5.478,1124 6.407,1125 5.224,1126 5.184,1127 7.518,1128 1.457,1129 17.863,1130 5.124,1131 8.022,1132 1.522,1133 1.506,1134 1.52,1135 1.508,1136 1.508,1137 1.907,1138 0.075,1139 4.353,1140 1.455,1141 4.156,1142 4.194,1143 4.115,1144 4.064,1145 6.449,1146 4.072,1147 4.033,1148 4.067,1149 3.966,1150 3.961,1151 5.135,1152 3.958,1153 3.856,1154 3.922,1155 3.79,1156 3.703,1157 4.927,1158 3.702,1159 3.822,1160 3.894,1161 3.729,1162 3.585,1163 4.74,1164 3.622,1165 3.548,1166 3.616,1167 3.412,1168 3.395,1169 4.383,1170 3.393,1171 3.449,1172 3.5,1173 3.322,1174 3.311,1175 4.257,1176 3.307,1177 3.287,1178 3.354,1179 3.177,1180 3.123,1181 4.081,1182 3.127,1183 3.111,1184 3.206,1185 2.96,1186 2.941,1187 3.889,1188 2.91,1189 0.117,1190 0.089,1191 0.172,1192 0.107,1193 0.082,1194 4.568,1195 0.116,1196 3.478,1197 0.021,1198 6.726,1199 0.281,1200 4.165,1201 0.08,1202 3.184,1203 4.518,1204 0.8,1205 10.951,1206 3.124,1207 1.961,1208 1.936,1209 2.072,1210 2.062,1211 1.43,1212 2.068,1213 1.907,1214 1.878,1215 2.032,1216 2.04,1217 1.278,1218 2.04,1219 1.839,1220 1.78,1221 2,1222 1.959,1223 1.168,1224 1.975,1225 1.669,1226 1.614,1227 1.877,1228 1.841,1229 1.126,1230 1.856,1231 1.538,1232 1.489,1233 1.746,1234 1.743,1235 1.084,1236 1.744,1237 1.406,1238 1.335,1239 1.587,1240 1.66,1241 0.825,1242 1.641,1243 1.321,1244 1.256,1245 1.513,1246 1.523,1247 0.759,1248 1.527,1249 1.153,1250 1.064,1251 1.488,1252 1.442,1253 0.584,1254 1.429,1255 4.369,1257 5.7,1258 3.434,1259 7.217,1260 5.778,1261 8.819,1262 7.854,1263 10.467,1270 10.563,1271 8.62,1272 3.768,1275 0.251,1276 2.592,1280 40.692,1281 95.038,1282 243.084,1283 323.504,1284 353.42,1285 362.93,1286 364.93,1287 47.961,1288 8.77,1289 82,1290 82,1291 33,1292 12.859,1293 4.459,1294 3.524,1295 45.605,1296 189,1297 145,1298 0.116,1299 243.819,1300 408.93,1301 586.678,1302 105742,1304 22.907,1305 0.674,1306 0.571,1307 22.907,1308 19.398,1309 16.742,1310 0.429,1311 0.319,1312 12.295,1313 16.201,1314 12.091,1315 9.923,1316 16.742,1317 12.437,1318 15.018,1319 0.273,1320 0.177,1321 15.018,1322 9.747,1323 13.351,1324 0.176,1325 0.1,1326 13.351,1327 7.595,1328 11.479,1329 0.113,1330 0.056,1331 11.479,1332 5.713,1333 9.052,1334 0.074,1335 0.033,1336 9.052,1337 4.058,1338 0.19,1339 104.081,1340 0.191,1341 32.298,1342 0.294,1343 188,1344 429.396,1345 201.261,1346 424.485,1347 600.02,1348 402,1349 225,1350 458.326,1351 239.843,1352 465.844,1353 682.8,1354 441,1355 7.886} {0 CHEMBL2113061,1 1.398,2 14.133,3 4.256,4 18.109,5 120.802,6 6.906,7 0.618,8 4.155,9 4.283,10 3.681,11 3.706,12 5.134,13 3.672,14 4.722,15 4.913,16 4.024,17 4.108,18 5.633,19 4.055,20 4.968,21 5.19,22 4.03,23 4.255,24 5.818,25 4.152,26 5.04,27 5.294,28 3.883,29 4.231,30 5.795,31 4.079,32 5.007,33 5.286,34 3.741,35 4.115,36 5.706,37 3.954,38 4.868,39 5.133,40 3.683,41 4.022,42 5.604,43 3.871,44 4.809,45 5.077,46 3.653,47 3.99,48 5.518,49 3.843,50 4.761,51 5.014,52 3.607,53 3.968,54 5.495,55 3.817,56 0.053,57 0.859,58 13.053,59 5.319,60 8.45,61 7.419,62 0.219,63 1.436,64 24.687,65 8.557,66 20.538,67 12.319,68 0.372,69 1.732,70 32.389,71 11.562,72 30.486,73 16.571,74 0.29,75 1.734,76 35.236,77 13.631,78 29.797,79 19.512,80 0.309,81 1.619,82 35.004,83 12.824,84 29.68,85 18.466,86 0.336,87 1.47,88 30.114,89 10.871,90 27.489,91 15.785,92 0.259,93 1.402,94 28.223,95 10.342,96 22.09,97 15.069,98 0.194,99 1.358,100 26.463,101 9.896,102 19.548,103 14.43,104 2,105 47,106 0.226,107 0.538,108 0.723,109 0.834,110 0.862,111 0.862,112 3.44,113 0.948,114 -3.48,115 -3.45,116 -3.3,119 43.1,120 1,125 7,140 9,141 3,142 1,144 2,149 1,150 1,169 9,172 7,176 3,178 10,181 2,182 6,186 2,189 8,192 1,193 5,197 1,199 6,203 4,211 2,214 1,215 5,218 1,222 1,225 1,226 4,237 4,249 5,252 1,259 1498,260 20.825,261 20.825,262 20.825,263 20.825,264 20.825,265 18.377,266 20.284,267 12.369,268 21.312,269 16.835,270 16.835,271 16.835,272 16.835,273 16.835,274 13.191,275 26.522,276 5.918,277 17.609,278 4.46,279 2.532,280 1.388,281 0.703,282 0.53,283 0.53,284 4.156,288 1,289 1,290 957,291 2.915,294 79.853,295 351.381,298 137.316,299 144.175,302 2.258,303 14.325,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 424,316 4.516,317 3.186,318 6.517,319 4.026,320 3.054,321 4.458,322 0.916,323 10.248,324 2.968,325 4.426,326 3.094,327 6.196,328 3.934,329 2.95,330 4.366,331 0.86,332 9.271,333 2.903,334 3.771,335 2.914,336 5.587,337 3.603,338 2.674,339 3.17,340 0.8,341 7.678,342 2.486,343 3.716,344 2.686,345 5.332,346 3.32,347 2.376,348 3.091,349 0.172,350 6.878,351 2.245,352 3.535,353 2.586,354 5.295,355 3.271,356 2.319,357 2.636,359 6.703,360 2.208,361 3.297,362 2.221,363 4.922,364 2.924,365 1.979,366 2.594,368 5.742,369 1.858,370 3.099,371 2.134,372 4.813,373 2.836,374 1.88,375 2.301,377 5.291,378 1.789,379 3.034,380 1.601,381 4.362,382 2.522,383 1.534,384 2.22,386 4.205,387 1.515,388 2.989,389 1.534,390 4.196,391 2.512,392 1.524,393 2.124,395 3.817,396 1.504,397 2.585,398 1.465,399 3.528,400 2.161,401 1.231,402 1.625,404 2.718,405 1.135,406 2.49,407 1.146,408 3.45,409 2.056,410 1.101,411 1.487,413 2.452,414 1.049,415 2.14,416 1.131,417 3.414,418 1.967,419 1,420 1.083,422 2.275,423 0.965,424 2,425 0.966,426 3.314,427 1.835,428 0.866,429 1,431 2.001,432 0.836,433 1.95,434 0.625,435 3.093,436 1.477,437 0.504,438 0.709,440 1.219,441 0.489,442 1.37,443 0.415,444 2.907,445 1.15,446 0.212,447 0.238,449 0.521,450 0.197,451 14.433,452 0.481,453 0.602,454 0.02,455 38.5,456 1.283,457 18.5,458 0.617,459 20,460 0.667,461 25.026,462 0.834,463 31.767,464 0.548,465 26.212,466 0.874,467 7.684,468 0.256,469 7.058,470 0.235,471 0.035,473 0.298,479 0.944,480 1.384,481 0.845,482 1.115,483 0.867,484 0.991,485 1.483,486 1.097,487 0.997,488 0.915,489 0.978,490 0.9,491 1.334,492 0.979,493 1.136,494 1.01,495 1.128,496 1.043,497 0.899,498 1.067,499 1.028,500 1.131,501 0.864,502 1.104,503 1.201,504 0.939,505 0.97,506 0.953,507 1.119,508 0.951,509 1.081,510 0.988,511 1.054,512 1.015,513 1.091,514 1.034,515 0.99,516 0.957,517 0.999,518 0.967,519 0.974,520 0.983,521 0.942,522 1.164,523 1.107,524 1.152,525 1.028,526 1.147,527 5.5,528 0.131,529 2.889,530 1.507,531 1.297,532 0.559,533 0.53,534 0.283,535 0.16,536 0.162,537 15449,538 32664,539 2.207,540 48.3,542 23,543 1,545 1,546 3,550 1.719,551 2.143,552 3.746,553 -0.415,555 1,559 81.061,560 1.398,561 3.326,562 4.47,563 5.155,564 5.328,565 5.328,566 3.207,567 4.574,568 4.882,569 3.962,570 1723.51,571 8.459,572 25875.8,574 1,577 339.763,578 1.075,579 4.87,580 0.162,581 0.007,582 0.061,583 0.033,584 0.035,585 0.017,586 0.018,587 0.009,588 0.006,589 0.007,590 0.356,591 0.5,592 0.88,593 0.327,594 159.02,595 0.024,596 -0.209,597 0.085,598 -0.07,599 0.032,601 -0.166,602 0.036,603 -0.008,604 0.055,605 0.035,606 0.045,607 -0.081,608 0.078,609 -0.146,610 -0.039,611 -0.032,612 -0.086,613 0.06,614 -0.125,615 -0.052,616 -0.129,617 0.09,618 -0.105,619 -0.055,620 -0.033,621 0.034,622 0.027,623 -0.087,624 0.035,625 0.028,626 -0.027,627 -0.057,628 -0.044,629 -0.098,630 -0.059,631 -0.031,632 0.009,633 -0.012,634 0.009,635 -0.092,637 -0.074,638 -0.181,639 -0.137,640 -0.165,641 -0.167,642 -0.16,643 0.794,644 2.619,645 0.833,646 32.604,647 0.989,648 1.124,649 2.247,650 5.049,651 0.666,652 3.555,653 3.871,654 4.143,655 4.407,656 4.615,657 4.635,658 4.727,659 4.836,660 4.844,661 4.913,662 8.35,663 0.623,664 400.57,665 3.555,666 5.094,667 5.943,668 6.812,669 7.672,670 8.543,671 9.406,672 10.278,673 11.142,674 12.014,675 6.9,678 2,683 1,685 1,687 4,688 10,689 1,690 1,693 3,695 21,712 1,714 58,716 21,717 2,718 34,720 62,721 25,722 17,723 6,724 6,730 5,731 7,736 1,745 17,746 8,761 1,764 28,765 4,766 1,767 5,773 4,777 0.6,778 1,786 1,788 1,792 1,793 4,796 1,797 1,815 2,819 3,823 1,827 30,833 7,835 1,838 2,847 1.7,852 1,854 14,855 10.6,856 6.5,857 3.589,858 4.105,859 1.503,860 1.03,861 5.606,862 12.27,863 3.818,864 4.44,865 5.055,866 5.669,867 6.194,868 6.46,869 6.784,870 7.115,871 7.146,872 7.003,873 1,874 45,875 11.104,877 4.687,878 7.406,879 22.074,881 18.556,883 1.906,884 57.167,887 1,888 317.82,889 141.005,890 39.82,892 11,895 141.005,896 328.82,897 39.82,898 8.825,899 17.227,900 94.334,901 16.786,902 52.51,903 13.915,904 306.049,906 317.82,907 180.825,908 11,911 317.82,912 11,915 53.987,916 110.053,917 16.786,919 317.82,920 50.82,921 141.005,924 317.82,925 37.847,926 109.407,927 16.786,928 27.785,929 317.82,930 50.82,931 141.005,933 0.579,934 0.336,935 0.185,936 0.1,937 24,938 9,939 0.097,940 6,941 2,942 1.16,943 4.451,944 261.605,945 0.16,946 25,947 141.207,951 19.408,952 8.666,953 4.478,954 4.592,955 34.034,956 21.122,957 4.593,958 3.264,961 3.35,963 16.786,964 509.645,965 44.5,975 57.338,976 65.185,977 0.239,978 0.568,979 0.763,980 0.88,981 0.909,982 0.909,983 5.045,984 1.534,985 5.905,986 5.291,987 4.554,988 5.127,989 1.598,990 6.678,991 4.471,992 6.236,993 1.524,994 7.433,995 4.205,996 4.007,997 4.902,998 0.57,999 7.466,1000 3.887,1001 7.533,1002 1.231,1003 9.056,1004 3.817,1005 6.111,1006 7.375,1007 1.256,1008 10.549,1009 5.955,1010 8.867,1011 1.101,1012 10.737,1013 2.718,1014 6.399,1015 8.048,1016 0.581,1017 12.188,1018 6.213,1019 10.236,1020 1,1021 12.456,1022 2.452,1023 7.929,1024 9.96,1025 1.023,1026 14.761,1027 7.713,1028 11.63,1029 0.866,1030 14.202,1031 2.275,1032 8.621,1033 11.065,1034 0.515,1035 16.768,1036 8.383,1037 13.044,1038 0.504,1039 15.968,1040 2.001,1041 9.902,1042 12.739,1043 0.84,1044 19.166,1045 9.639,1046 3.054,1047 0.212,1048 17.75,1049 1.219,1050 10.798,1051 14.051,1052 0.441,1053 21.337,1054 10.515,1055 2.95,1056 10.248,1057 19.544,1058 0.521,1059 11.969,1060 15.619,1061 0.689,1062 23.673,1063 11.663,1064 2.674,1065 9.271,1066 21.349,1067 4.458,1068 12.966,1069 17.026,1070 0.373,1071 25.918,1072 12.641,1073 2.376,1074 7.678,1075 23.162,1076 4.366,1077 14.09,1078 18.548,1079 0.564,1080 28.233,1081 13.744,1082 2.319,1083 6.878,1084 24.983,1085 3.17,1086 15.137,1087 19.999,1088 0.314,1089 30.512,1090 14.771,1091 1.979,1092 6.703,1093 26.81,1094 3.091,1095 16.243,1096 21.501,1097 0.461,1098 32.822,1099 15.856,1100 1.88,1101 5.742,1102 28.642,1103 2.636,1104 17.315,1105 22.97,1106 0.264,1107 35.119,1108 16.908,1109 13943,1110 20394,1111 23.75,1112 38.614,1113 50.57,1114 50.575,1115 50.91,1116 50.427,1117 50.41,1118 66.205,1119 5.498,1120 142.037,1121 48.291,1122 5.516,1123 5.186,1124 6.097,1125 5.102,1126 5.054,1127 7.458,1128 1.776,1129 17.078,1130 4.968,1131 7.673,1132 1.487,1133 1.487,1134 1.497,1135 1.483,1136 1.483,1137 1.947,1138 0.162,1139 4.178,1140 1.42,1141 4.126,1142 4.162,1143 4.078,1144 4.041,1145 5.021,1146 4.046,1147 4.066,1148 4.091,1149 4.029,1150 3.991,1151 4.974,1152 3.997,1153 3.843,1154 3.918,1155 3.73,1156 3.642,1157 4.581,1158 3.654,1159 3.557,1160 3.61,1161 3.457,1162 3.43,1163 4.4,1164 3.426,1165 3.494,1166 3.552,1167 3.388,1168 3.357,1169 4.272,1170 3.358,1171 3.355,1172 3.418,1173 3.212,1174 3.179,1175 4.193,1176 3.178,1177 3.111,1178 3.206,1179 2.96,1180 2.951,1181 3.882,1182 2.939,1183 3.092,1184 3.163,1185 2.866,1186 2.941,1187 3.791,1188 2.91,1189 0.133,1190 0.094,1191 0.192,1192 0.118,1193 0.09,1194 4.516,1195 0.131,1196 3.186,1197 0.027,1198 6.517,1199 0.301,1200 4.026,1201 0.087,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.345,1212 2.12,1213 1.96,1214 1.934,1215 2.065,1216 2.069,1217 1.222,1218 2.071,1219 1.769,1220 1.699,1221 1.962,1222 1.968,1223 1.185,1224 1.971,1225 1.535,1226 1.49,1227 1.745,1228 1.717,1229 0.967,1230 1.721,1231 1.484,1232 1.421,1233 1.673,1234 1.69,1235 0.825,1236 1.693,1237 1.406,1238 1.339,1239 1.658,1240 1.613,1241 0.804,1242 1.637,1243 1.177,1244 1.119,1245 1.513,1246 1.376,1247 0.683,1248 1.429,1249 1.153,1250 1.064,1251 1.427,1252 1.373,1253 0.657,1254 1.394,1255 4.234,1257 5.549,1258 2.398,1259 7.057,1260 4.595,1261 8.655,1262 6.581,1263 10.299,1265 2.019,1271 7.063,1273 6.119,1276 5.045,1280 36.122,1281 81.061,1282 192.918,1283 259.259,1284 299.008,1285 309.008,1286 309.008,1287 34.738,1288 8.164,1289 44.39,1290 44.39,1291 29,1292 12.557,1293 4.459,1294 3.524,1295 42.09,1296 154,1297 124,1298 0.13,1299 218.439,1300 364.69,1301 524.751,1302 50585,1304 20.338,1305 0.678,1306 0.582,1307 20.338,1308 17.473,1309 14.742,1310 0.434,1311 0.316,1312 10.614,1313 14.265,1314 10.347,1315 8.529,1316 14.742,1317 10.744,1318 13.217,1319 0.281,1320 0.173,1321 13.217,1322 8.141,1323 11.277,1324 0.182,1325 0.097,1326 11.277,1327 5.985,1328 9.599,1329 0.119,1330 0.053,1331 9.599,1332 4.27,1333 7.773,1334 0.078,1335 0.03,1336 7.773,1337 3.005,1338 0.214,1339 91.449,1340 0.205,1341 29.256,1342 0.33,1343 162,1344 383.004,1345 173.481,1346 375.871,1347 532.79,1348 358,1349 190,1350 403.469,1351 202.758,1352 411.659,1353 603.14,1354 389,1355 8.5} {0 CHEMBL2113097,1 1.587,2 11.533,3 2.928,4 8.571,5 116.335,6 7.331,7 0.364,8 4.13,9 4.249,10 3.688,11 3.613,12 5.222,13 3.602,14 4.706,15 4.893,16 4.047,17 4.029,18 5.811,19 4.002,20 4.938,21 5.136,22 4.121,23 4.22,24 5.959,25 4.156,26 5.066,27 5.284,28 4.103,29 4.241,30 6.097,31 4.152,32 5.085,33 5.327,34 4.057,35 4.159,36 6.087,37 4.084,38 4.956,39 5.165,40 4.006,41 4.131,42 5.994,43 4.056,44 4.991,45 5.225,46 3.97,47 4.157,48 6.105,49 4.04,50 5,51 5.266,52 3.801,53 4.047,54 5.897,55 3.919,56 0.131,57 0.838,58 11.877,59 4.979,60 9.41,61 6.774,62 0.445,63 1.356,64 23.876,65 7.935,66 49.898,67 11.326,68 0.417,69 1.644,70 30.237,71 10.85,72 36.521,73 15.178,74 0.409,75 1.708,76 35.74,77 13.017,78 61.81,79 18.106,80 0.677,81 1.648,82 38.563,83 11.808,84 75.787,85 16.944,86 0.696,87 1.542,88 32.553,89 10.656,90 64.144,91 14.782,92 0.732,93 1.597,94 33.62,95 11.818,96 102.474,97 17.157,98 0.497,99 1.487,100 35.663,101 11.64,102 62.32,103 17.07,104 30,105 47,106 0.261,107 0.55,108 0.754,109 0.844,110 0.844,111 0.844,112 3.441,113 0.922,114 -4.03,115 -3.98,116 -3.77,119 39.3,121 2,124 2,125 5,140 6,141 2,142 4,156 1,164 2,169 7,171 2,172 9,178 8,181 2,182 12,189 5,192 1,193 15,199 4,202 1,203 9,211 4,214 4,215 4,222 7,225 6,226 3,233 5,237 7,244 4,248 1,249 11,256 1,259 1502,260 20.179,261 20.179,262 20.179,263 20.179,264 20.179,265 18.346,266 32.203,267 11.668,268 20.709,269 16.209,270 16.209,271 16.209,272 16.209,273 16.209,274 13.251,275 47.119,276 5.445,277 16.933,278 4.22,279 2.461,280 1.219,281 0.67,282 0.67,283 0.67,284 4.134,288 1,289 1,290 742,291 3.536,294 69.195,295 272.256,298 123.753,302 1.831,303 34.143,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 346,316 4.516,317 3.806,318 6.755,319 4.189,320 3.227,321 4.149,322 2.612,323 11.076,324 3.104,325 4.282,326 3.774,327 6.431,328 3.867,329 2.913,330 3.979,331 2.015,332 9.904,333 2.8,334 4.088,335 3.34,336 5.981,337 3.771,338 2.804,339 3.396,340 0.86,341 8.499,342 2.688,343 3.78,344 2.993,345 5.667,346 3.445,347 2.479,348 3.189,349 0.8,350 7.486,351 2.404,352 3.555,353 2.736,354 5.297,355 3.289,356 2.338,357 2.788,358 0.8,359 6.616,360 2.203,361 3.404,362 2.622,363 5.167,364 3.077,365 2.107,366 2.498,367 0.625,368 6.181,369 2.044,370 3.137,371 2.41,372 4.931,373 2.833,374 1.9,375 2.261,376 0.111,377 5.551,378 1.76,379 2.901,380 1.937,381 4.501,382 2.47,383 1.493,384 2.014,386 4.316,387 1.452,388 2.713,389 1.858,390 3.99,391 2.342,392 1.353,393 1.737,395 3.198,396 1.337,397 2.587,398 1.57,399 3.726,400 2.07,401 1.079,402 1.585,404 2.723,405 1.061,406 2.327,407 1.194,408 3.676,409 2,410 1,411 1.257,413 2.323,414 1,415 2,416 1.166,417 3.436,418 1.967,419 1,420 1,422 2.275,423 0.965,424 1.963,425 1.146,426 3.414,427 1.769,428 0.832,429 0.91,431 2.124,432 0.773,433 1.503,434 1,435 2.926,436 1.252,437 0.349,438 0.392,440 0.6,441 0.312,442 1.18,443 0.8,444 2.7,445 0.847,446 -0.124,447 -0.133,449 -0.277,450 -0.119,451 13.933,452 0.464,453 0.801,454 0.027,455 38.25,456 1.275,457 18,458 0.6,459 20.25,460 0.675,461 26.135,462 0.871,463 33.467,464 0.598,465 30.563,466 1.019,467 7.63,468 0.254,469 6.827,470 0.228,471 0.144,473 0.366,479 0.546,480 1.498,481 0.756,482 1.214,483 0.469,484 1.056,485 0.859,486 1.036,487 0.861,488 0.849,489 0.426,490 0.833,491 0.842,492 1.056,493 1.02,494 1.083,495 0.641,496 1.072,497 0.868,498 1.188,499 0.967,500 1.219,501 0.904,502 1.137,503 1.155,504 0.934,505 0.951,506 0.891,507 0.968,508 0.882,509 1.152,510 0.96,511 1.129,512 0.982,513 1.055,514 1.045,515 0.463,516 1.025,517 0.969,518 1.126,519 0.396,520 1.139,521 0.856,522 1.013,523 0.916,524 1.008,525 0.757,526 0.984,527 6.5,528 0.12,529 3.778,530 2.194,531 1.934,532 1.201,533 0.946,534 0.44,535 0.383,536 0.267,537 11510,538 31733,539 2.067,540 46.4,542 22,546 2,547 2,550 1.73,551 1.915,552 3.5,553 -0.726,555 1,559 88.893,560 1.587,561 3.346,562 4.589,563 5.138,564 5.138,565 5.138,566 2.937,567 4.507,568 4.876,569 3.655,570 1590.12,571 8.519,572 21859.4,574 1,576 1,577 325.212,578 1.475,579 4.828,580 0.197,581 0.005,582 0.08,583 0.045,584 0.042,585 0.027,586 0.023,587 0.011,588 0.012,589 0.01,590 0.452,591 0.33,592 1,593 0.855,594 153.632,595 0.142,596 -0.232,597 0.083,598 -0.094,599 0.026,600 -0.039,601 0.003,602 0.123,603 0.064,604 0.16,605 0.156,606 0.137,607 -0.062,608 0.057,609 -0.106,610 -0.055,611 0.003,612 -0.077,613 -0.019,614 -0.201,615 -0.022,616 -0.182,617 -0.019,618 -0.118,619 -0.098,620 0.015,621 0.055,622 0.071,623 -0.05,624 0.092,625 -0.09,626 0.068,627 -0.155,628 0.008,629 -0.106,630 -0.077,631 0.272,632 -0.018,633 -0.029,634 -0.113,635 0.288,636 -0.125,637 -0.027,638 -0.109,639 0.068,640 -0.024,641 -0.002,642 0.03,643 2.437,644 6.048,645 0.7,646 29.876,647 1.008,648 1.132,649 2.795,650 7.812,651 0.647,652 3.526,653 3.871,654 4.159,655 4.431,656 4.682,657 4.804,658 4.97,659 5.075,660 5.147,661 5.247,662 6.802,663 0.62,664 410.52,665 3.526,666 5.081,667 5.943,668 6.832,669 7.714,670 8.609,671 9.499,672 10.398,673 11.294,674 12.195,675 7.1,678 1,681 1,682 1,686 1,688 6,693 6,695 12,708 1,709 1,712 1,714 56,716 15,717 2,718 33,720 59,721 22,722 12,723 6,724 6,730 4,731 5,740 1,743 2,745 13,746 9,750 3,752 1,755 3,759 1,761 1,764 26,765 7,767 8,773 4,777 0.75,778 4,792 1,793 3,796 1,806 1,815 1,819 3,823 2,827 30,833 7,835 1,838 3,847 7.1,850 1,852 1,853 2,854 15.667,855 10.717,856 6.583,857 3.356,858 2.397,859 1.305,860 0.971,861 6.045,862 10.256,863 3.761,864 4.331,865 4.84,866 5.368,867 5.884,868 6.116,869 6.45,870 6.589,871 6.775,872 7.043,873 0.875,874 49,875 11.154,877 4.793,878 7.856,879 21.291,881 17.676,883 2.356,884 70.667,887 1,888 306.049,889 116.324,890 15.043,892 86.892,895 116.324,896 392.94,897 15.043,898 24.949,899 18.722,900 56.857,901 29.85,902 37.133,904 306.049,905 50.747,906 306.049,907 131.367,908 86.892,911 282.506,912 59.687,913 50.747,915 21.846,916 103.851,917 5.67,919 306.049,920 101.935,921 116.324,924 306.049,925 40.187,926 91.18,928 86.892,929 306.049,930 101.935,931 116.324,933 0.586,934 0.347,935 0.185,936 0.105,937 23,938 11,939 0.085,940 5,941 1,942 1.095,943 4.055,944 273.052,945 0.095,946 21,947 141.207,951 20.791,952 8.722,953 4.365,955 96.265,956 10.397,961 4.516,964 524.307,965 42,967 -0.437,970 35.084,974 -0.052,975 56.436,976 63.398,977 0.273,978 0.576,979 0.79,980 0.885,981 0.885,982 0.885,983 5.024,984 1.493,985 5.943,986 5.551,987 4.554,988 5.017,989 3.145,990 6.774,991 4.475,992 6.222,993 1.353,994 7.518,995 4.316,996 4.205,997 4.913,998 2.752,999 7.714,1000 4.078,1001 7.534,1002 1.079,1003 9.191,1004 3.198,1005 6.172,1006 7.157,1007 4.479,1008 10.812,1009 6.014,1010 8.877,1011 1,1012 10.92,1013 2.723,1014 6.621,1015 7.842,1016 4.755,1017 12.57,1018 6.412,1019 10.253,1020 1,1021 12.685,1022 2.323,1023 8.074,1024 9.605,1025 6.139,1026 15.193,1027 7.838,1028 11.648,1029 0.832,1030 14.475,1031 2.275,1032 8.885,1033 10.642,1034 6.709,1035 17.299,1036 8.6,1037 13.06,1038 0.349,1039 16.283,1040 2.124,1041 10.137,1042 12.216,1043 7.911,1044 19.76,1045 9.823,1046 3.227,1047 -0.124,1048 18.106,1049 0.6,1050 11.12,1051 13.425,1052 8.641,1053 22.019,1054 10.76,1055 2.913,1056 11.076,1057 19.94,1058 -0.277,1059 12.295,1060 14.912,1061 9.741,1062 24.424,1063 11.902,1064 2.804,1065 9.904,1066 21.784,1067 4.149,1068 13.36,1069 16.211,1070 10.565,1071 26.752,1072 12.924,1073 2.479,1074 8.499,1075 23.635,1076 3.979,1077 14.508,1078 17.658,1079 11.606,1080 29.14,1081 14.037,1082 2.338,1083 7.486,1084 25.493,1085 3.396,1086 15.614,1087 19.005,1088 12.486,1089 31.499,1090 15.102,1091 2.107,1092 6.616,1093 27.356,1094 3.189,1095 16.755,1096 20.431,1097 13.493,1098 33.885,1099 16.207,1100 1.9,1101 6.181,1102 29.224,1103 2.788,1104 17.883,1105 21.805,1106 14.406,1107 36.26,1108 17.294,1109 11077,1110 18595,1111 21.789,1112 36.216,1113 49.877,1114 52.153,1115 52.039,1116 49.7,1117 49.746,1118 62.308,1119 15.646,1120 145.746,1121 47.807,1122 5.516,1123 5.806,1124 6.303,1125 5.257,1126 5.227,1127 7.149,1128 4.612,1129 18.245,1130 5.104,1131 16.328,1132 1.511,1133 1.58,1134 1.577,1135 1.506,1136 1.507,1137 1.888,1138 0.474,1139 4.417,1140 1.449,1141 4.065,1142 4.099,1143 4.018,1144 3.958,1145 7.815,1146 3.967,1147 3.973,1148 4,1149 3.932,1150 3.864,1151 7.427,1152 3.87,1153 3.793,1154 3.866,1155 3.683,1156 3.594,1157 6.999,1158 3.604,1159 3.583,1160 3.61,1161 3.535,1162 3.341,1163 4.853,1164 3.369,1165 3.458,1166 3.499,1167 3.383,1168 3.181,1169 4.684,1170 3.209,1171 3.273,1172 3.319,1173 3.161,1174 2.983,1175 4.426,1176 3.046,1177 3.218,1178 3.302,1179 3.028,1180 2.943,1181 4.355,1182 2.948,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.954,1188 2.91,1189 0.137,1190 0.115,1191 0.205,1192 0.127,1193 0.098,1194 4.516,1195 0.126,1196 3.806,1197 0.079,1198 6.755,1199 0.336,1200 4.189,1201 0.094,1202 3.227,1203 4.149,1204 2.612,1205 11.076,1206 3.104,1207 1.943,1208 1.918,1209 2.044,1210 2.093,1211 1.311,1212 2.067,1213 1.91,1214 1.883,1215 2.025,1216 2.058,1217 1.184,1218 2.048,1219 1.71,1220 1.642,1221 1.9,1222 1.896,1223 1.16,1224 1.897,1225 1.542,1226 1.489,1227 1.742,1228 1.799,1229 0.984,1230 1.769,1231 1.326,1232 1.276,1233 1.58,1234 1.65,1235 0.825,1236 1.599,1237 1.2,1238 1.145,1239 1.548,1240 1.529,1241 0.704,1242 1.531,1243 1.17,1244 1.085,1245 1.513,1246 1.475,1247 0.636,1248 1.492,1249 1.153,1250 1.064,1251 1.494,1252 1.376,1253 0.575,1254 1.429,1255 4.205,1257 5.541,1258 2.398,1259 7.071,1260 4.727,1261 8.687,1262 6.843,1263 10.351,1265 3.799,1271 5.302,1273 5.655,1276 6.402,1280 34.74,1281 88.893,1282 187.389,1283 256.973,1284 287.702,1285 287.702,1286 287.702,1287 59.979,1288 7.86,1289 81.84,1290 81.84,1291 23,1292 12.717,1293 4,1294 3.322,1295 46.968,1296 121,1297 122,1298 0.189,1299 211.971,1300 375.96,1301 508.97,1302 28426,1304 21.25,1305 0.708,1306 0.578,1307 21.25,1308 17.336,1309 14.457,1310 0.438,1311 0.307,1312 9.952,1313 13.681,1314 9.687,1315 7.99,1316 14.457,1317 10.141,1318 13.238,1319 0.282,1320 0.167,1321 13.238,1322 7.842,1323 11.174,1324 0.177,1325 0.094,1326 11.174,1327 5.897,1328 9.235,1329 0.111,1330 0.05,1331 9.235,1332 4.171,1333 7.621,1334 0.071,1335 0.028,1336 7.621,1337 2.973,1338 0.295,1339 92.141,1340 0.214,1341 28.18,1342 0.523,1343 160,1344 501.523,1345 178.18,1346 473.48,1347 634,1348 440,1349 190,1350 462.645,1351 209.24,1352 462.34,1353 671.69,1354 431,1355 7.5} {0 CHEMBL2113098,1 1.547,2 11.688,3 3.683,4 13.562,5 125.171,6 7.074,7 0.343,8 4.218,9 4.342,10 3.745,11 3.704,12 5.289,13 3.682,14 4.803,15 4.997,16 4.125,17 4.124,18 5.87,19 4.089,20 5.06,21 5.263,22 4.232,23 4.342,24 6.055,25 4.274,26 5.236,27 5.46,28 4.212,29 4.412,30 6.223,31 4.307,32 5.299,33 5.564,34 4.151,35 4.353,36 6.222,37 4.241,38 5.15,39 5.386,40 4.132,41 4.295,42 6.127,43 4.201,44 5.145,45 5.375,46 4.105,47 4.305,48 6.231,49 4.189,50 5.149,51 5.41,52 3.958,53 4.237,54 6.029,55 4.106,56 0.116,57 0.915,58 13.752,59 5.646,60 10.84,61 7.837,62 0.406,63 1.491,64 27.037,65 9.027,66 52.418,67 13.194,68 0.415,69 1.874,70 35.047,71 12.088,72 39.06,73 17.428,74 0.408,75 2.04,76 42.84,77 15.299,78 65.225,79 21.792,80 0.677,81 2.004,82 48.094,83 15.217,84 83.729,85 22.414,86 0.68,87 1.824,88 40.46,89 13.376,90 69.828,91 19.219,92 0.812,93 1.839,94 39.849,95 13.768,96 112.017,97 19.884,98 0.483,99 1.778,100 40.671,101 13.401,102 62.566,103 19.815,104 54,105 51,106 0.249,107 0.547,108 0.777,109 0.832,110 0.832,111 0.832,112 3.503,113 0.943,114 -4.45,115 -4.38,116 -4.13,119 38.7,120 2,121 2,124 2,125 3,127 2,140 6,141 2,142 4,156 1,164 2,169 7,171 2,172 11,178 8,181 2,182 14,189 5,192 1,193 15,199 5,202 1,203 9,211 6,214 4,215 6,222 9,225 6,226 5,233 7,237 7,244 6,248 1,249 13,256 3,259 1776,260 21.179,261 21.179,262 21.179,263 21.179,264 21.179,265 19.346,266 35.365,267 12.032,268 21.696,269 17.151,270 17.151,271 17.151,272 17.151,273 17.151,274 14.193,275 54.19,276 5.588,277 17.87,278 4.407,279 2.558,280 1.13,281 0.791,282 0.791,283 0.791,284 4.192,288 1,289 1,290 796,291 3.674,294 75.015,295 293.268,298 133.259,302 1.852,303 35.915,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 70,315 374,316 4.519,317 3.806,318 6.76,319 4.198,320 3.238,321 4.149,322 2.612,323 11.096,324 3.109,325 4.283,326 3.774,327 6.486,328 3.964,329 3.022,330 3.979,331 2.015,332 10.082,333 2.849,334 4.122,335 3.394,336 6.223,337 3.808,338 2.831,339 3.402,340 0.86,341 8.97,342 2.762,343 3.903,344 3.158,345 5.981,346 3.681,347 2.735,348 3.194,349 0.8,350 8.494,351 2.587,352 3.749,353 2.904,354 5.658,355 3.382,356 2.394,357 2.941,358 0.8,359 7.43,360 2.353,361 3.497,362 2.628,363 5.251,364 3.101,365 2.132,366 2.743,367 0.625,368 6.452,369 2.069,370 3.178,371 2.447,372 5.109,373 2.856,374 1.913,375 2.335,376 0.111,377 5.787,378 1.833,379 2.901,380 1.982,381 4.879,382 2.851,383 1.879,384 2.016,386 5.225,387 1.78,388 2.879,389 1.937,390 4.532,391 2.471,392 1.493,393 1.879,395 4.377,396 1.454,397 2.721,398 1.858,399 4.006,400 2.342,401 1.353,402 1.749,404 3.2,405 1.337,406 2.587,407 1.572,408 3.761,409 2.07,410 1.079,411 1.585,413 2.723,414 1.061,415 2.327,416 1.194,417 3.702,418 2,419 1,420 1.257,422 2.323,423 1,424 1.971,425 1.176,426 3.436,427 1.787,428 0.85,429 0.922,431 2.214,432 0.79,433 1.504,434 1,435 3.063,436 1.321,437 0.368,438 0.392,440 0.847,441 0.348,442 1.4,443 0.816,444 2.863,445 1.247,446 0.348,447 0.376,449 0.585,450 0.312,451 14.933,452 0.467,453 0.98,454 0.031,455 39.25,456 1.227,457 18,458 0.563,459 21.25,460 0.664,461 31.838,462 0.995,463 36.067,464 0.582,465 32.075,466 1.002,467 7.589,468 0.237,469 7.69,470 0.24,471 0.201,473 0.408,479 0.546,480 1.5,481 0.795,482 1.235,483 0.491,484 1.087,485 0.824,486 1.099,487 0.826,488 0.882,489 0.417,490 0.842,491 0.885,492 1.077,493 1.035,494 1.06,495 0.627,496 1.054,497 0.875,498 1.184,499 1.037,500 1.222,501 0.855,502 1.169,503 1,504 0.917,505 0.909,506 0.902,507 0.849,508 0.891,509 0.989,510 0.919,511 0.982,512 0.94,513 0.923,514 0.96,515 0.68,516 1.045,517 1.021,518 1.102,519 0.443,520 1.121,521 0.888,522 1.027,523 0.994,524 1.032,525 0.745,526 1.03,527 7.5,528 0.186,529 4.444,530 2.694,531 2.316,532 1.424,533 1.068,534 0.582,535 0.544,536 0.267,537 13296,538 34915,539 2.026,540 48.4,542 20,546 2,547 8,550 1.747,551 1.846,552 3.521,553 -0.743,555 1,559 95.914,560 1.547,561 3.397,562 4.825,563 5.164,564 5.164,565 5.164,566 2.939,567 4.625,568 4.971,569 3.689,570 1829.89,571 8.71,572 26270.5,574 1,577 369.16,578 1.538,579 4.903,580 0.214,581 0.007,582 0.087,583 0.049,584 0.045,585 0.03,586 0.022,587 0.013,588 0.014,589 0.008,590 0.49,591 0.17,592 1,593 0.886,594 167.004,595 0.15,596 -0.216,597 0.081,598 -0.086,599 0.013,600 -0.035,601 0.041,602 0.064,603 0.118,604 0.147,605 0.168,606 0.15,607 -0.075,608 0.068,609 -0.1,610 -0.033,611 0.007,612 -0.058,613 -0.043,614 -0.163,615 -0.091,616 -0.188,617 -0.022,618 -0.154,619 -0.043,620 0.013,621 0.084,622 0.065,623 -0.019,624 0.093,625 -0.008,626 0.08,627 -0.003,628 0.053,629 -0.05,630 0.028,631 0.198,632 -0.034,633 -0.062,634 -0.086,635 0.245,636 -0.117,637 -0.065,638 -0.067,639 -0.027,640 -0.045,641 -0.027,642 -0.03,643 2.435,644 6.152,645 0.656,646 32.656,647 1.003,648 1.133,649 3.221,650 10.375,651 0.641,652 3.584,653 3.951,654 4.248,655 4.511,656 4.754,657 4.905,658 5.063,659 5.182,660 5.278,661 5.375,662 7.002,663 0.61,664 438.58,665 3.584,666 5.153,667 6.023,668 6.921,669 7.809,670 8.711,671 9.606,672 10.511,673 11.411,674 12.318,675 6.5,678 1,681 1,682 1,686 1,688 6,693 6,695 12,708 1,709 1,712 1,714 62,716 15,717 2,718 35,720 65,721 24,722 12,723 6,724 6,730 4,731 5,736 2,740 3,743 4,745 13,746 11,750 3,752 1,755 3,759 1,761 1,764 30,765 7,767 8,773 4,777 0.75,778 4,792 1,793 3,796 1,806 1,815 1,819 3,823 4,827 32,833 5,835 1,837 2,838 3,847 6.5,850 1,852 1,853 2,854 17.333,855 12.383,856 6.972,857 3.789,858 2.39,859 1.298,860 0.95,861 6.519,862 10.422,863 3.807,864 4.382,865 4.887,866 5.4,867 5.912,868 6.157,869 6.495,870 6.662,871 6.876,872 7.127,873 0.875,874 55,875 11.907,877 5.114,878 7.823,879 22.805,881 19.052,883 2.323,884 74.333,887 1,888 353.133,889 129.763,890 15.043,892 86.892,895 129.763,896 440.025,897 15.043,898 42.6,899 14.51,900 56.857,901 29.85,902 37.133,904 353.133,905 50.747,906 353.133,907 144.806,908 86.892,911 258.964,912 130.314,913 50.747,915 35.285,916 103.851,917 5.67,919 353.133,920 101.935,921 129.763,924 353.133,925 35.976,926 108.83,928 86.892,929 353.133,930 101.935,931 129.763,933 0.595,934 0.358,935 0.186,936 0.101,937 25,938 13,939 0.077,940 5,941 1,942 1.095,943 4.124,944 301.641,945 0.095,946 21,947 152,951 22.717,952 9.183,953 4.544,955 96.265,956 10.43,961 4.494,964 584.831,965 44,967 -0.435,970 35.281,974 -0.055,975 62.203,976 70.228,977 0.26,978 0.57,979 0.81,980 0.867,981 0.867,982 0.867,983 5.088,984 1.879,985 6.043,986 5.787,987 4.635,988 5.069,989 3.145,990 6.897,991 4.558,992 6.294,993 1.493,994 7.639,995 5.225,996 4.369,997 4.997,998 2.752,999 7.867,1000 4.246,1001 7.613,1002 1.353,1003 9.33,1004 4.377,1005 6.282,1006 7.2,1007 4.479,1008 10.971,1009 6.123,1010 8.961,1011 1.079,1012 11.074,1013 3.2,1014 6.792,1015 7.895,1016 4.755,1017 12.723,1018 6.576,1019 10.338,1020 1,1021 12.851,1022 2.723,1023 8.214,1024 9.637,1025 6.139,1026 15.356,1027 7.967,1028 11.734,1029 0.85,1030 14.65,1031 2.323,1032 9.064,1033 10.676,1034 6.709,1035 17.445,1036 8.76,1037 13.146,1038 0.368,1039 16.465,1040 2.214,1041 10.302,1042 12.238,1043 7.911,1044 19.909,1045 9.965,1046 3.238,1047 0.348,1048 18.293,1049 0.847,1050 11.307,1051 13.446,1052 8.641,1053 22.152,1054 10.916,1055 3.022,1056 11.096,1057 20.129,1058 0.585,1059 12.476,1060 14.927,1061 9.741,1062 24.556,1063 12.049,1064 2.831,1065 10.082,1066 21.974,1067 4.149,1068 13.553,1069 16.224,1070 10.565,1071 26.872,1072 13.076,1073 2.735,1074 8.97,1075 23.825,1076 3.979,1077 14.699,1078 17.667,1079 11.606,1080 29.257,1081 14.183,1082 2.394,1083 8.494,1084 25.682,1085 3.402,1086 15.81,1087 19.013,1088 12.486,1089 31.607,1090 15.247,1091 2.132,1092 7.43,1093 27.543,1094 3.194,1095 16.951,1096 20.438,1097 13.493,1098 33.989,1099 16.348,1100 1.913,1101 6.452,1102 29.409,1103 2.941,1104 18.079,1105 21.811,1106 14.406,1107 36.358,1108 17.432,1109 12893,1110 21153,1111 22.6,1112 39.739,1113 53.368,1114 55.824,1115 56.094,1116 53.189,1117 53.27,1118 65.837,1119 15.646,1120 159.609,1121 51.29,1122 5.519,1123 5.806,1124 6.308,1125 5.266,1126 5.238,1127 7.149,1128 4.612,1129 18.273,1130 5.109,1131 20.01,1132 1.525,1133 1.595,1134 1.603,1135 1.52,1136 1.522,1137 1.881,1138 0.447,1139 4.56,1140 1.465,1141 4.07,1142 4.105,1143 4.022,1144 3.962,1145 7.815,1146 3.971,1147 3.974,1148 4.002,1149 3.934,1150 3.865,1151 7.427,1152 3.87,1153 3.844,1154 3.908,1155 3.742,1156 3.673,1157 6.999,1158 3.68,1159 3.589,1160 3.616,1161 3.544,1162 3.353,1163 4.854,1164 3.381,1165 3.465,1166 3.505,1167 3.393,1168 3.217,1169 4.684,1170 3.216,1171 3.367,1172 3.452,1173 3.167,1174 3.189,1175 4.442,1176 3.19,1177 3.275,1178 3.321,1179 3.151,1180 2.984,1181 4.396,1182 3.048,1183 3.223,1184 3.302,1185 3.037,1186 2.946,1187 3.963,1188 2.954,1189 0.129,1190 0.109,1191 0.193,1192 0.12,1193 0.093,1194 4.519,1195 0.119,1196 3.806,1197 0.075,1198 6.76,1199 0.317,1200 4.198,1201 0.089,1202 3.238,1203 4.149,1204 2.612,1205 11.096,1206 3.109,1207 1.945,1208 1.919,1209 2.056,1210 2.095,1211 1.36,1212 2.078,1213 1.919,1214 1.889,1215 2.039,1216 2.075,1217 1.184,1218 2.059,1219 1.769,1220 1.713,1221 1.925,1222 1.921,1223 1.171,1224 1.921,1225 1.542,1226 1.49,1227 1.745,1228 1.799,1229 0.99,1230 1.769,1231 1.405,1232 1.325,1233 1.733,1234 1.65,1235 0.97,1236 1.655,1237 1.33,1238 1.281,1239 1.58,1240 1.606,1241 0.709,1242 1.601,1243 1.2,1244 1.146,1245 1.55,1246 1.529,1247 0.639,1248 1.532,1249 1.171,1250 1.087,1251 1.513,1252 1.476,1253 0.575,1254 1.492,1255 4.263,1257 5.617,1258 2.398,1259 7.162,1260 4.727,1261 8.794,1262 6.843,1263 10.473,1265 8.282,1271 3.272,1273 5.726,1275 0.812,1276 6.529,1280 37.793,1281 95.914,1282 210.592,1283 299.121,1284 320.141,1285 320.141,1286 320.141,1287 69.333,1288 8.032,1289 81.84,1290 81.84,1291 23,1292 12.837,1293 4,1294 3.322,1295 51.758,1296 133,1297 133,1298 0.189,1299 231.156,1300 410.56,1301 555.781,1302 34894,1304 22.991,1305 0.718,1306 0.596,1307 22.991,1308 19.076,1309 15.278,1310 0.437,1311 0.314,1312 10.811,1313 14.51,1314 10.423,1315 8.658,1316 15.278,1317 10.996,1318 14.264,1319 0.28,1320 0.173,1321 14.264,1322 8.82,1323 12.258,1324 0.178,1325 0.098,1326 12.258,1327 6.754,1328 9.912,1329 0.11,1330 0.052,1331 9.912,1332 4.725,1333 7.909,1334 0.069,1335 0.028,1336 7.909,1337 3.193,1338 0.296,1339 96.994,1340 0.21,1341 29.626,1342 0.526,1343 172,1344 513.523,1345 190.846,1346 486.636,1347 655.02,1348 452,1349 206,1350 483.35,1351 225.906,1352 483.936,1353 703.35,1354 451,1355 6.6} {0 CHEMBL2113347,1 1.38,2 14.875,3 5.179,4 26.82,5 127.977,6 6.881,7 0.444,8 4.207,9 4.337,10 3.719,11 3.798,12 5.206,13 3.751,14 4.796,15 4.98,16 4.079,17 4.242,18 5.701,19 4.161,20 5.142,21 5.38,22 4.12,23 4.413,24 5.996,25 4.281,26 5.232,27 5.509,28 3.974,29 4.354,30 6.043,31 4.191,32 5.126,33 5.419,34 3.874,35 4.204,36 5.933,37 4.048,38 4.973,39 5.228,40 3.843,41 4.142,42 5.881,43 4.013,44 4.989,45 5.258,46 3.73,47 4.18,48 5.757,49 4.007,50 4.959,51 5.239,52 3.661,53 4.129,54 5.705,55 3.946,56 0.058,57 0.902,58 13.703,59 5.865,60 10.656,61 8.163,62 0.198,63 1.546,64 25.976,65 10.398,66 19.639,67 14.815,68 0.331,69 2.036,70 38.378,71 14.81,72 41.944,73 21.358,74 0.35,75 2.104,76 43.492,77 15.828,78 49.454,79 23.097,80 0.34,81 1.845,82 39.714,83 14.15,84 51.235,85 20.694,86 0.37,87 1.657,88 33.546,89 11.61,90 53.695,91 16.692,92 0.293,93 1.665,94 33.674,95 12.957,96 39.303,97 18.686,98 0.225,99 1.584,100 32.715,101 12.914,102 39.723,103 18.704,104 6,105 50,106 0.22,107 0.559,108 0.749,109 0.854,110 0.873,111 0.873,112 3.502,113 0.984,114 -4.56,115 -4.48,116 -4.22,119 43.5,121 6,122 1,125 3,127 1,140 8,141 4,150 2,156 2,169 17,172 4,174 1,176 5,178 19,182 6,184 1,185 1,186 5,189 13,193 9,197 3,199 4,203 8,208 5,211 6,214 1,215 4,220 4,222 12,226 1,229 1,231 1,233 18,237 1,242 1,244 19,248 1,249 1,254 2,256 13,259 1788,260 22.143,261 22.143,262 22.143,263 22.143,264 22.143,265 20.099,266 21.31,267 13.04,268 22.345,269 17.747,270 17.747,271 17.747,272 17.747,273 17.747,274 14.478,275 26.751,276 6.189,277 18.078,278 4.574,279 2.452,280 1.258,281 0.605,282 0.484,283 0.484,284 4.215,288 1,289 1,290 1064,291 3.391,294 78.494,295 402.151,298 152.003,299 162.572,302 2.398,303 22.082,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 476,316 4.497,317 4.058,318 6.343,319 4.028,320 3.048,321 4.425,322 2.035,323 9.765,324 2.986,325 4.312,326 3.583,327 6.219,328 3.956,329 2.968,330 3.946,331 1.058,332 9.376,333 2.936,334 3.911,335 3.215,336 5.842,337 3.682,338 2.697,339 3.275,340 0.916,341 8.049,342 2.656,343 3.803,344 2.891,345 5.478,346 3.484,347 2.493,348 3.034,349 0.172,350 7.279,351 2.472,352 3.618,353 2.697,354 5.305,355 3.349,356 2.378,357 2.649,359 6.844,360 2.307,361 3.352,362 2.583,363 5.191,364 3.14,365 2.16,366 2.392,368 6.407,369 2.111,370 3.14,371 2.277,372 5.077,373 3.001,374 2.034,375 2.298,377 6.156,378 1.955,379 3.032,380 2.182,381 4.414,382 2.567,383 1.573,384 2.243,386 4.312,387 1.563,388 2.961,389 1.86,390 4.403,391 2.516,392 1.532,393 2.068,395 4.312,396 1.508,397 2.946,398 1.78,399 4.024,400 2.476,401 1.478,402 1.979,404 3.381,405 1.468,406 2.862,407 1.532,408 3.581,409 2.054,410 1.062,411 1.471,413 2.697,414 1.046,415 2.54,416 1.309,417 3.414,418 2,419 1,420 1.197,422 2.275,423 1,424 2,425 1,426 3.347,427 1.892,428 0.905,429 1,431 2.055,432 0.892,433 1.996,434 0.999,435 3.212,436 1.649,437 0.666,438 0.807,440 1.551,441 0.653,442 1.847,443 0.812,444 3,445 1.376,446 0.425,447 0.631,449 0.86,450 0.403,451 15.433,452 0.482,453 0.67,454 0.021,455 38.75,456 1.211,457 18.5,458 0.578,459 20.25,460 0.633,461 30.83,462 0.963,463 33.767,464 0.545,465 26,466 0.812,467 6.948,468 0.217,469 8.726,470 0.273,471 0.048,473 0.317,479 0.77,480 1.207,481 0.859,482 1.031,483 0.466,484 0.962,485 0.783,486 1.153,487 0.981,488 1.071,489 0.416,490 1.043,491 0.817,492 1.082,493 1.039,494 1.097,495 0.572,496 1.089,497 1.086,498 1.029,499 1.028,500 1.031,501 0.957,502 1.025,503 1.137,504 0.911,505 0.871,506 0.867,507 1.026,508 0.851,509 1.605,510 0.929,511 1.124,512 0.942,513 1.476,514 0.984,515 0.93,516 0.91,517 1.085,518 1.022,519 0.933,520 1.062,521 0.715,522 0.942,523 0.975,524 1.013,525 0.884,526 1.02,527 6.5,528 0.153,529 3.111,530 1.417,531 2.036,532 0.694,533 0.544,534 0.435,535 0.17,536 0.182,537 18071,538 40173,539 2.174,540 48.4,541 5,542 15,545 2,547 8,550 1.736,551 2.087,552 3.848,553 0.115,559 85.571,560 1.38,561 3.502,562 4.697,563 5.349,564 5.47,565 5.47,566 3.281,567 4.351,568 4.974,569 4.045,570 2006.56,571 8.648,572 31667.3,577 369.16,578 1.198,579 4.954,580 0.181,581 0.006,582 0.062,583 0.029,584 0.051,585 0.019,586 0.015,587 0.014,588 0.006,589 0.007,590 0.389,591 0.17,592 0.88,593 0.563,594 173.281,595 -0.019,596 -0.042,597 0.057,598 0.027,599 0.06,600 0.045,601 0.042,602 -0.052,603 -0.038,604 -0.05,605 0.075,606 -0.051,607 0.055,608 -0.072,609 -0.071,610 -0.102,611 0.073,612 -0.1,613 -0.047,614 -0.08,615 -0.031,616 -0.063,617 -0.021,618 -0.047,619 0.004,620 0.007,621 0.143,622 0.094,623 0.019,624 0.126,625 -0.167,626 0.067,627 -0.104,628 0.009,629 -0.113,630 -0.034,631 -0.072,632 0.045,633 -0.109,634 -0.032,635 -0.089,636 -0.068,637 -0.011,638 -0.023,639 -0.007,640 -0.011,641 -0.066,642 -0.009,643 1.659,644 5.674,645 0.781,646 37.367,647 0.987,648 1.123,649 3.326,650 11.066,651 0.667,652 3.611,653 3.932,654 4.205,655 4.454,656 4.71,657 4.736,658 4.812,659 4.949,660 4.984,661 4.99,662 8.771,663 0.623,664 426.61,665 3.611,666 5.153,667 6.004,668 6.874,669 7.738,670 8.611,671 9.48,672 10.353,673 11.224,674 12.098,675 6.5,678 1,682 1,683 1,684 1,687 2,688 8,690 1,693 4,695 16,697 1,702 1,714 62,716 18,717 2,718 36,720 66,721 27,722 14,723 5,724 7,725 1,730 5,731 7,740 6,741 1,743 7,744 1,745 15,746 11,747 1,750 1,755 1,759 1,764 30,765 4,766 2,767 5,773 4,777 0.6,778 1,788 1,792 1,793 4,796 1,797 1,815 1,819 3,827 32,833 9,834 1,837 2,838 1,840 1,843 1,845 1,847 1.6,850 1,854 15.333,855 10.9,856 7,857 4.107,858 3.14,859 1.378,860 1.009,861 6.189,862 11.452,863 3.871,864 4.416,865 4.991,866 5.536,867 6.048,868 6.295,869 6.55,870 6.796,871 6.702,872 6.69,873 0.9,874 49,875 11.897,877 5.146,878 7.573,879 23.55,881 20.439,883 2.073,884 66.333,887 1,888 329.591,889 135.671,890 68.98,892 25.145,895 135.671,896 354.736,897 68.98,899 39.535,900 75.81,901 46.451,902 63.099,903 4.901,904 329.591,906 329.591,907 204.651,908 25.145,911 235.422,912 119.314,915 90.504,916 114.147,919 329.591,920 94.125,921 135.671,924 329.591,925 43.26,926 78.934,927 51.398,928 56.204,929 329.591,930 94.125,931 135.671,933 0.58,934 0.34,935 0.181,936 0.104,937 25,938 10,939 0.076,940 5,941 2,942 1.16,943 4.584,944 285.322,945 0.16,946 25,947 156,951 21.099,952 9.386,953 4.866,954 2.08,955 77.339,956 16.049,958 3.229,961 4.127,963 34.796,964 559.387,965 47,970 12.674,974 0.008,975 61.221,976 69.6,977 0.232,978 0.588,979 0.789,980 0.898,981 0.919,982 0.919,983 5.124,984 1.573,985 5.974,986 6.156,987 4.615,988 5.103,989 2.567,990 6.751,991 4.579,992 6.308,993 1.532,994 7.508,995 4.312,996 4.111,997 4.832,998 0.325,999 7.535,1000 4.061,1001 7.6,1002 1.478,1003 9.135,1004 4.312,1005 6.184,1006 7.255,1007 3.657,1008 10.6,1009 6.113,1010 8.922,1011 1.062,1012 10.815,1013 3.381,1014 6.494,1015 7.873,1016 0.393,1017 12.19,1018 6.409,1019 10.276,1020 1,1021 12.529,1022 2.697,1023 8.006,1024 9.749,1025 4.987,1026 14.747,1027 7.903,1028 11.654,1029 0.905,1030 14.266,1031 2.275,1032 8.703,1033 10.797,1034 0.384,1035 16.69,1036 8.586,1037 13.051,1038 0.666,1039 16.02,1040 2.055,1041 9.975,1042 12.444,1043 6.384,1044 19.059,1045 9.842,1046 3.048,1047 0.425,1048 17.787,1049 1.551,1050 10.868,1051 13.708,1052 0.351,1053 21.169,1054 10.72,1055 2.968,1056 9.765,1057 19.563,1058 0.86,1059 12.034,1060 15.253,1061 7.799,1062 23.467,1063 11.869,1064 2.697,1065 9.376,1066 21.348,1067 4.425,1068 13.027,1069 16.623,1070 0.312,1071 25.655,1072 12.846,1073 2.493,1074 8.049,1075 23.14,1076 3.946,1077 14.146,1078 18.124,1079 9.218,1080 27.927,1081 13.95,1082 2.378,1083 7.279,1084 24.938,1085 3.275,1086 15.189,1087 19.547,1088 0.273,1089 30.152,1090 14.976,1091 2.16,1092 6.844,1093 26.74,1094 3.034,1095 16.291,1096 21.03,1097 10.638,1098 32.415,1099 16.061,1100 2.034,1101 6.407,1102 28.547,1103 2.649,1104 17.36,1105 22.479,1106 0.236,1107 34.66,1108 17.113,1109 16478,1110 24703,1111 24.849,1112 41.375,1113 55.318,1114 57.317,1115 54.453,1116 53.518,1117 53.535,1118 67.873,1119 8.364,1120 151.993,1121 52.586,1122 5.497,1123 6.058,1124 6.026,1125 5.069,1126 5.048,1127 7.425,1128 4.069,1129 16.362,1130 4.986,1131 11.035,1132 1.537,1133 1.592,1134 1.513,1135 1.487,1136 1.487,1137 1.885,1138 0.232,1139 4.222,1140 1.461,1141 4.13,1142 4.165,1143 4.087,1144 4.039,1145 7.429,1146 4.046,1147 4.015,1148 4.053,1149 3.952,1150 3.944,1151 6.82,1152 3.942,1153 3.893,1154 3.944,1155 3.773,1156 3.791,1157 4.955,1158 3.778,1159 3.615,1160 3.677,1161 3.52,1162 3.451,1163 4.69,1164 3.458,1165 3.514,1166 3.558,1167 3.435,1168 3.367,1169 4.347,1170 3.377,1171 3.355,1172 3.421,1173 3.228,1174 3.223,1175 4.26,1176 3.214,1177 3.163,1178 3.236,1179 3.06,1180 2.984,1181 4.137,1182 2.985,1183 3.111,1184 3.206,1185 2.906,1186 2.941,1187 3.852,1188 2.91,1189 0.125,1190 0.113,1191 0.176,1192 0.112,1193 0.085,1194 4.497,1195 0.123,1196 4.058,1197 0.057,1198 6.343,1199 0.271,1200 4.028,1201 0.083,1202 3.048,1203 4.425,1204 2.035,1205 9.765,1206 2.986,1207 1.991,1208 1.962,1209 2.13,1210 2.098,1211 1.531,1212 2.11,1213 1.927,1214 1.902,1215 2.082,1216 2.04,1217 1.36,1218 2.057,1219 1.904,1220 1.854,1221 2.027,1222 2.009,1223 1.134,1224 2.016,1225 1.615,1226 1.569,1227 1.795,1228 1.815,1229 1.087,1230 1.804,1231 1.546,1232 1.492,1233 1.681,1234 1.732,1235 0.869,1236 1.729,1237 1.369,1238 1.306,1239 1.614,1240 1.55,1241 0.825,1242 1.576,1243 1.153,1244 1.066,1245 1.513,1246 1.376,1247 0.75,1248 1.429,1249 1.138,1250 1.064,1251 1.429,1252 1.362,1253 0.688,1254 1.385,1255 4.29,1257 5.609,1258 2.398,1259 7.12,1260 4.727,1261 8.714,1262 6.843,1263 10.35,1271 9.962,1272 3.237,1275 1.013,1276 2.535,1278 9.161,1279 2.26,1280 38.649,1281 85.571,1282 217.112,1283 291.186,1284 331.65,1285 339.16,1286 339.16,1287 51.499,1288 8.312,1289 71.92,1290 71.92,1291 29,1292 12.639,1293 4.248,1294 3.585,1295 46.221,1296 173,1297 148,1298 0.128,1299 234.696,1300 407.55,1301 564.419,1302 59705,1304 21.916,1305 0.685,1306 0.576,1307 21.916,1308 18.44,1309 15.674,1310 0.435,1311 0.328,1312 11.718,1313 15.336,1314 11.477,1315 9.462,1316 15.674,1317 11.806,1318 14,1319 0.28,1320 0.187,1321 14,1322 9.371,1323 12.144,1324 0.184,1325 0.11,1326 12.144,1327 7.237,1328 9.911,1329 0.117,1330 0.062,1331 9.911,1332 5.295,1333 8.415,1334 0.077,1335 0.037,1336 8.415,1337 4.06,1338 0.211,1339 96.405,1340 0.201,1341 30.854,1342 0.324,1343 172,1344 395.691,1345 181.097,1346 396.987,1347 547.78,1348 372,1349 202,1350 403.383,1351 211.737,1352 415.356,1353 603.76,1354 392,1355 7} {0 CHEMBL2113348,1 1.325,2 16.091,3 5.502,4 30.275,5 133.463,6 6.838,7 0.459,8 4.229,9 4.353,10 3.737,11 3.847,12 5.227,13 3.792,14 4.815,15 4.995,16 4.088,17 4.287,18 5.715,19 4.199,20 5.169,21 5.402,22 4.158,23 4.475,24 6.016,25 4.342,26 5.264,27 5.535,28 4.012,29 4.418,30 6.083,31 4.25,32 5.175,33 5.464,34 3.914,35 4.278,36 5.983,37 4.118,38 5.001,39 5.252,40 3.842,41 4.199,42 5.883,43 4.053,44 5.026,45 5.298,46 3.762,47 4.204,48 5.823,49 4.03,50 4.975,51 5.254,52 3.68,53 4.157,54 5.677,55 3.972,56 0.056,57 0.88,58 13.994,59 6.24,60 10.793,61 8.606,62 0.201,63 1.535,64 26.432,65 10.984,66 19.72,67 15.471,68 0.241,69 2.082,70 39.122,71 15.86,72 38.328,73 22.54,74 0.327,75 2.204,76 44.485,77 17.117,78 51.146,79 24.533,80 0.348,81 1.971,82 41.464,83 15.463,84 52.429,85 22.154,86 0.286,87 1.706,88 34.02,89 12.89,90 49.357,91 18.233,92 0.315,93 1.739,94 35.03,95 13.777,96 46.587,97 19.62,98 0.211,99 1.611,100 33.12,101 13.674,102 33.266,103 19.48,104 6,105 51,106 0.21,107 0.528,108 0.718,109 0.836,110 0.861,111 0.871,112 3.531,113 0.991,114 -5.66,115 -5.53,116 -5.16,119 45.3,121 6,122 1,125 3,127 1,140 10,141 6,156 2,169 23,172 5,174 1,176 3,178 28,182 7,186 4,189 21,193 10,197 3,199 11,203 9,208 3,211 12,215 3,220 2,222 17,225 1,226 2,229 1,231 1,233 22,244 21,248 1,249 2,254 2,256 16,259 1942,260 22.85,261 22.85,262 22.85,263 22.85,264 22.85,265 20.676,266 21.31,267 13.483,268 23,269 18.23,270 18.23,271 18.23,272 18.23,273 18.23,274 14.803,275 26.751,276 6.382,277 18.465,278 4.675,279 2.664,280 1.468,281 0.723,282 0.563,283 0.5,284 4.245,289 1,290 1183,291 3.391,295 510.525,299 338.981,302 2.518,303 21.179,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 68.5,315 531,316 4.436,317 4.058,318 6.255,319 3.986,320 2.985,321 4.352,322 2.035,323 9.439,324 2.986,325 4.311,326 3.576,327 6.218,328 3.955,329 2.967,330 3.946,331 1.058,332 9.369,333 2.935,334 3.993,335 3.215,336 5.931,337 3.705,338 2.716,339 3.416,340 0.916,341 8.321,342 2.685,343 3.808,344 2.867,345 5.488,346 3.543,347 2.544,348 3.04,349 0.172,350 7.343,351 2.543,352 3.631,353 2.702,354 5.337,355 3.371,356 2.406,357 2.659,359 6.954,360 2.323,361 3.348,362 2.594,363 5.167,364 3.146,365 2.162,366 2.427,368 6.384,369 2.122,370 3.156,371 2.255,372 5.068,373 2.986,374 2.024,375 2.379,377 6.093,378 1.936,379 3.118,380 2.161,381 4.439,382 2.618,383 1.618,384 2.235,386 4.409,387 1.618,388 2.959,389 1.91,390 4.419,391 2.614,392 1.618,393 2.079,395 4.384,396 1.612,397 2.933,398 1.905,399 4.066,400 2.496,401 1.489,402 2.058,404 3.498,405 1.496,406 2.906,407 1.618,408 3.602,409 2.225,410 1.214,411 1.694,413 2.884,414 1.221,415 2.696,416 1.379,417 3.414,418 2,419 1,420 1.118,422 2.275,423 1,424 2.147,425 1,426 3.319,427 1.81,428 0.823,429 1,431 1.925,432 0.811,433 2,434 0.932,435 3.24,436 1.71,437 0.731,438 0.969,440 1.651,441 0.714,442 1.959,443 0.841,444 3.157,445 1.646,446 0.646,447 0.872,449 1.511,450 0.645,451 16.033,452 0.486,453 0.67,454 0.02,455 40.75,456 1.235,457 20.5,458 0.621,459 20.25,460 0.614,461 31.491,462 0.954,463 34.367,464 0.537,465 27.815,466 0.843,467 7.329,468 0.222,469 8.845,470 0.268,471 0.046,473 0.306,479 0.695,480 1.142,481 0.86,482 1.014,483 0.458,484 0.959,485 0.781,486 1.065,487 0.999,488 1.032,489 0.423,490 1.027,491 0.881,492 1.095,493 1.032,494 1.086,495 0.581,496 1.071,497 1.096,498 1.048,499 1.041,500 1.046,501 0.944,502 1.04,503 1.284,504 0.867,505 0.898,506 0.841,507 1.13,508 0.841,509 1.454,510 1.045,511 1.117,512 1.039,513 1.359,514 1.052,515 0.994,516 0.881,517 1.05,518 0.986,519 1.052,520 1.018,521 0.751,522 0.937,523 0.948,524 0.987,525 0.688,526 0.989,527 6.5,528 0.19,529 3.333,530 1.188,531 2.164,532 0.764,533 0.444,534 0.521,535 0.188,536 0.154,537 19807,538 43426,539 2.168,540 48.4,541 5,542 17,545 1,547 8,550 1.743,551 2.084,552 3.939,553 -0.472,559 84.784,560 1.325,561 3.336,562 4.532,563 5.277,564 5.438,565 5.5,566 3.415,567 4.56,568 5.017,569 4.119,570 2174.98,571 8.731,572 35274.3,577 384,578 1.182,579 4.999,580 0.176,581 0.008,582 0.065,583 0.023,584 0.052,585 0.02,586 0.012,587 0.016,588 0.006,589 0.005,590 0.382,591 0.33,592 0.75,593 0.551,594 180.892,595 0.006,596 -0.026,597 0.058,598 0.027,599 0.063,600 0.043,601 0.04,602 0.014,603 -0.052,604 -0.025,605 0.068,606 -0.041,607 -0.031,608 -0.091,609 -0.065,610 -0.091,611 0.058,612 -0.082,613 -0.038,614 -0.084,615 -0.044,616 -0.074,617 -0.01,618 -0.061,619 -0.026,620 0.076,621 0.122,622 0.122,623 -0.015,624 0.132,625 -0.134,626 -0.059,627 -0.11,628 -0.07,629 -0.102,630 -0.086,631 -0.003,632 0.082,633 -0.059,634 -0.008,635 -0.061,636 -0.034,637 0.002,638 -0.019,639 0.027,640 0.015,641 -0.019,642 0.02,643 1.615,644 5.776,645 0.788,646 40.735,647 0.984,648 1.117,649 4.434,650 19.66,651 0.674,652 3.638,653 3.951,654 4.22,655 4.454,656 4.736,657 4.745,658 4.852,659 4.963,660 5.056,661 5.011,662 9.123,663 0.627,664 437.63,665 3.638,666 5.176,667 6.023,668 6.889,669 7.748,670 8.615,671 9.478,672 10.345,673 11.21,674 12.077,675 4.7,678 1,682 1,684 1,687 2,688 10,693 4,695 17,697 1,702 1,714 64,716 19,717 3,718 37,720 68,721 29,722 16,723 6,724 10,725 1,730 5,731 7,740 6,741 1,743 7,744 1,745 17,746 11,747 1,750 1,755 1,759 1,764 31,765 4,766 1,767 4,773 3,777 0.6,778 1,793 5,797 2,815 1,819 3,827 33,833 9,834 1,837 2,838 1,840 1,843 1,845 1,847 1.6,850 1,854 15.833,855 11.317,856 7.25,857 4.26,858 3.414,859 1.407,860 1.003,861 6.536,862 11.803,863 3.902,864 4.443,865 5.014,866 5.543,867 6.117,868 6.347,869 6.665,870 6.892,871 7.168,872 6.872,873 0.909,874 52,875 12.269,877 5.281,878 7.556,879 24.332,881 21.055,883 2.056,884 67.833,888 353.133,889 155.481,890 52.194,892 25.145,895 155.481,896 378.278,897 52.194,899 39.535,900 94.762,901 46.451,902 52.072,904 353.133,906 353.133,907 207.676,908 25.145,911 258.964,912 119.314,915 73.719,916 133.957,919 353.133,920 77.339,921 155.481,924 353.133,925 44.117,926 97.887,927 34.612,928 56.204,929 353.133,930 77.339,931 155.481,933 0.578,934 0.34,935 0.179,936 0.104,937 25,938 10,939 0.074,940 5,941 2,942 1.154,943 4.672,944 295.848,945 0.154,946 26,947 162.465,951 21.838,952 9.876,953 5.167,954 2.276,955 77.339,956 20.249,961 4.239,963 18.011,964 585.954,965 48.5,970 12.776,974 0.052,975 63.003,976 71.517,977 0.221,978 0.556,979 0.755,980 0.88,981 0.906,982 0.917,983 5.149,984 1.618,985 5.989,986 6.093,987 4.635,988 5.13,989 2.567,990 6.758,991 4.612,992 6.33,993 1.618,994 7.519,995 4.409,996 4.111,997 4.832,998 0.325,999 7.535,1000 4.082,1001 7.619,1002 1.489,1003 9.142,1004 4.384,1005 6.196,1006 7.277,1007 3.657,1008 10.591,1009 6.152,1010 8.936,1011 1.214,1012 10.819,1013 3.498,1014 6.479,1015 7.844,1016 0.393,1017 12.162,1018 6.434,1019 10.286,1020 1,1021 12.529,1022 2.884,1023 8.003,1024 9.746,1025 4.987,1026 14.709,1027 7.945,1028 11.657,1029 0.823,1030 14.263,1031 2.275,1032 8.672,1033 10.74,1034 0.384,1035 16.627,1036 8.617,1037 13.046,1038 0.731,1039 16.013,1040 1.925,1041 9.949,1042 12.404,1043 6.384,1044 18.983,1045 9.883,1046 2.985,1047 0.646,1048 17.775,1049 1.651,1050 10.818,1051 13.619,1052 0.351,1053 21.064,1054 10.754,1055 2.967,1056 9.439,1057 19.547,1058 1.511,1059 11.981,1060 15.17,1061 7.799,1062 23.343,1063 11.909,1064 2.716,1065 9.369,1066 21.326,1067 4.352,1068 12.952,1069 16.5,1070 0.312,1071 25.502,1072 12.88,1073 2.544,1074 8.321,1075 23.112,1076 3.946,1077 14.064,1078 17.998,1079 9.218,1080 27.751,1081 13.986,1082 2.406,1083 7.343,1084 24.903,1085 3.416,1086 15.087,1087 19.387,1088 0.273,1089 29.948,1090 15.009,1091 2.162,1092 6.954,1093 26.699,1094 3.04,1095 16.178,1096 20.861,1097 10.638,1098 32.186,1099 16.095,1100 2.024,1101 6.384,1102 28.498,1103 2.659,1104 17.228,1105 22.282,1106 0.236,1107 34.402,1108 17.143,1109 18103,1110 26931,1111 25.542,1112 43.131,1113 56.361,1114 58.791,1115 55.722,1116 54.769,1117 54.77,1118 69.732,1119 8.364,1120 154.364,1121 54.136,1122 5.436,1123 6.058,1124 5.943,1125 5.022,1126 4.985,1127 7.352,1128 4.069,1129 15.869,1130 4.986,1131 11.332,1132 1.523,1133 1.589,1134 1.506,1135 1.48,1136 1.48,1137 1.885,1138 0.226,1139 4.172,1140 1.463,1141 4.098,1142 4.122,1143 4.048,1144 4.052,1145 7.429,1146 4.048,1147 4.012,1148 4.047,1149 3.95,1150 3.945,1151 6.82,1152 3.942,1153 3.894,1154 3.945,1155 3.776,1156 3.792,1157 4.89,1158 3.78,1159 3.625,1160 3.682,1161 3.54,1162 3.478,1163 4.69,1164 3.485,1165 3.547,1166 3.587,1167 3.462,1168 3.422,1169 4.353,1170 3.423,1171 3.362,1172 3.427,1173 3.234,1174 3.228,1175 4.277,1176 3.219,1177 3.173,1178 3.238,1179 3.078,1180 3.023,1181 4.136,1182 3.015,1183 3.154,1184 3.214,1185 3.014,1186 3.007,1187 3.88,1188 3.01,1189 0.12,1190 0.11,1191 0.169,1192 0.108,1193 0.081,1194 4.436,1195 0.118,1196 4.058,1197 0.055,1198 6.255,1199 0.255,1200 3.986,1201 0.081,1202 2.985,1203 4.352,1204 2.035,1205 9.439,1206 2.986,1207 2.075,1208 2.058,1209 2.159,1210 2.134,1211 1.532,1212 2.143,1213 1.991,1214 1.962,1215 2.127,1216 2.095,1217 1.36,1218 2.107,1219 1.901,1220 1.851,1221 2.081,1222 2.031,1223 1.285,1224 2.052,1225 1.593,1226 1.541,1227 1.792,1228 1.777,1229 1.086,1230 1.784,1231 1.526,1232 1.485,1233 1.681,1234 1.674,1235 0.868,1236 1.675,1237 1.371,1238 1.308,1239 1.624,1240 1.54,1241 0.825,1242 1.571,1243 1.166,1244 1.103,1245 1.513,1246 1.376,1247 0.745,1248 1.429,1249 1.153,1250 1.075,1251 1.437,1252 1.375,1253 0.7,1254 1.4,1255 4.317,1257 5.631,1259 7.146,1261 8.748,1263 10.392,1271 10.023,1272 3.274,1275 1.039,1276 2.558,1278 9.099,1279 2.248,1280 40.154,1281 84.784,1282 213.513,1283 290.052,1284 337.735,1285 348,1286 352,1287 53.845,1288 8.389,1289 56.13,1290 56.13,1291 30,1292 12.623,1293 4.322,1294 3.644,1295 48.399,1296 186,1297 176,1298 0.125,1299 244.159,1300 428.51,1301 587.508,1302 66502,1304 22.623,1305 0.686,1306 0.579,1307 22.623,1308 19.095,1309 16.174,1310 0.437,1311 0.33,1312 12.146,1313 15.897,1314 11.875,1315 9.801,1316 16.174,1317 12.217,1318 14.341,1319 0.281,1320 0.189,1321 14.341,1322 9.663,1323 12.447,1324 0.186,1325 0.112,1326 12.447,1327 7.474,1328 10.089,1329 0.119,1330 0.064,1331 10.089,1332 5.432,1333 8.744,1334 0.077,1335 0.038,1336 8.744,1337 4.256,1338 0.207,1339 98.997,1340 0.198,1341 31.733,1342 0.315,1343 176,1344 395.359,1345 183.044,1346 398.957,1347 550.1,1348 374,1349 206,1350 402.129,1351 213.322,1352 416.423,1353 603.7,1354 393,1355 7} {0 CHEMBL2113350,1 1.33,2 15.419,3 5.062,4 25.621,5 127.332,6 6.671,7 0.353,8 4.184,9 4.314,10 3.662,11 3.781,12 5.181,13 3.722,14 4.765,15 4.954,16 3.981,17 4.201,18 5.665,19 4.104,20 5.116,21 5.362,22 4.013,23 4.379,24 5.93,25 4.231,26 5.196,27 5.479,28 3.872,29 4.323,30 5.964,31 4.14,32 5.11,33 5.406,34 3.822,35 4.186,36 5.921,37 4.02,38 4.951,39 5.214,40 3.763,41 4.106,42 5.85,43 3.962,44 4.934,45 5.202,46 3.696,47 4.119,48 5.744,49 3.95,50 4.92,51 5.197,52 3.627,53 4.095,54 5.696,55 3.915,56 0.057,57 0.86,58 13.885,59 6.072,60 10.892,61 8.473,62 0.202,63 1.465,64 25.795,65 10.467,66 22.093,67 14.945,68 0.253,69 1.948,70 37.631,71 14.847,72 38.892,73 21.392,74 0.295,75 2.014,76 41.492,77 15.862,78 43.753,79 23.106,80 0.316,81 1.806,82 38.63,83 14.152,84 50.475,85 20.603,86 0.338,87 1.591,88 32.805,89 11.786,90 52.86,91 16.91,92 0.262,93 1.561,94 31.774,95 12.409,96 39.002,97 17.8,98 0.225,99 1.525,100 31.299,101 12.37,102 40.763,103 17.834,104 6,105 45,106 0.213,107 0.538,108 0.737,109 0.836,110 0.858,111 0.858,112 3.471,113 1.012,114 -5.08,115 -4.97,116 -4.66,119 43.5,121 6,122 1,125 3,127 1,134 2,140 8,141 4,156 2,169 20,172 5,174 1,176 3,178 23,182 6,186 3,189 16,193 9,197 2,199 8,203 8,208 3,211 9,214 1,215 4,220 2,222 13,226 2,229 1,231 1,233 19,237 1,244 19,248 1,249 2,254 2,256 15,259 1765,260 21.403,261 21.403,262 21.403,263 21.403,264 21.403,265 19.575,266 21.31,267 12.916,268 21.549,269 16.764,270 16.764,271 16.764,272 16.764,273 16.764,274 13.877,275 26.751,276 6.153,277 16.996,278 4.624,279 2.601,280 1.367,281 0.746,282 0.613,283 0.613,284 4.173,288 1,289 1,290 1040,291 3.536,295 427.225,299 163.369,302 2.599,303 19.498,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64.5,315 478,316 4.312,317 4.058,318 6.219,319 3.956,320 2.969,321 3.946,322 2.035,323 9.376,324 2.936,325 3.983,326 3.475,327 5.566,328 3.695,329 2.709,330 3.527,331 1.058,332 7.613,333 2.669,334 3.804,335 3.215,336 5.371,337 3.545,338 2.545,339 3.034,340 0.916,341 7.05,342 2.545,343 3.77,344 2.698,345 5.323,346 3.401,347 2.433,348 2.982,349 0.172,350 6.92,351 2.364,352 3.559,353 2.583,354 5.227,355 3.307,356 2.315,357 2.609,359 6.609,360 2.288,361 3.331,362 2.503,363 5.141,364 3.089,365 2.116,366 2.364,368 6.289,369 2.051,370 3.085,371 2.276,372 4.737,373 2.928,374 1.929,375 2.168,377 5.276,378 1.91,379 2.959,380 2.179,381 4.403,382 2.567,383 1.572,384 2.032,386 4.311,387 1.562,388 2.928,389 1.86,390 3.625,391 2.482,392 1.48,393 1.968,395 3.124,396 1.482,397 2.861,398 1.523,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.001,408 3.352,409 2,410 1,411 1.198,413 2.136,414 1,415 2.301,416 1,417 3.247,418 1.903,419 0.919,420 1,422 2.078,423 0.903,424 2,425 1,426 3.231,427 1.683,428 0.703,429 0.936,431 1.633,432 0.687,433 1.996,434 0.869,435 3.055,436 1.563,437 0.562,438 0.795,440 1.29,441 0.559,442 1.732,443 0.792,444 2.82,445 1.375,446 0.424,447 0.626,449 0.677,450 0.402,451 15.033,452 0.485,453 0.567,454 0.018,455 36.75,456 1.185,457 18,458 0.581,459 18.75,460 0.605,461 29.342,462 0.947,463 32.967,464 0.532,465 24.547,466 0.792,467 6.711,468 0.216,469 8.48,470 0.274,471 0.049,473 0.259,479 0.705,480 1.203,481 0.895,482 1.068,483 0.463,484 1.006,485 0.796,486 1.127,487 1.044,488 1.092,489 0.416,490 1.083,491 0.932,492 1.088,493 1.071,494 1.089,495 0.629,496 1.089,497 0.922,498 1.034,499 1.01,500 1.038,501 0.799,502 1.031,503 1.176,504 0.914,505 0.869,506 0.864,507 1.036,508 0.847,509 1.611,510 0.925,511 1.091,512 0.937,513 1.479,514 0.969,515 1.008,516 0.943,517 1.035,518 1.008,519 1.035,520 1.023,521 0.911,522 0.946,523 1.01,524 0.992,525 1.047,526 1.009,527 6,528 0.128,529 2.444,530 0.938,531 1.6,532 0.674,533 0.465,534 0.391,535 0.148,536 0.179,537 16356,538 36390,539 2.123,540 50,541 5,542 17,545 1,547 8,550 1.728,551 2.044,552 3.89,553 -0.457,559 82.443,560 1.33,561 3.353,562 4.588,563 5.208,564 5.341,565 5.341,566 3.397,567 4.478,568 4.925,569 4.089,570 1901.32,571 8.552,572 29949.8,574 1,577 369.16,578 1.14,579 4.91,580 0.176,581 0.005,582 0.054,583 0.021,584 0.044,585 0.019,586 0.014,587 0.013,588 0.005,589 0.007,590 0.36,591 0.33,592 1,593 0.575,594 167.396,595 0.006,596 -0.048,597 0.05,598 0.011,599 0.066,600 0.03,601 0.04,602 -0.027,603 -0.08,604 -0.066,605 0.083,606 -0.079,607 -0.068,608 -0.081,609 -0.099,610 -0.093,611 0.019,612 -0.097,613 -0.015,614 -0.083,615 -0.028,616 -0.067,617 -0.002,618 -0.051,619 0.014,620 0.016,621 0.137,622 0.089,623 0.019,624 0.118,625 -0.123,626 0.064,627 -0.069,628 0.015,629 -0.099,630 -0.017,631 -0.027,632 0.02,633 -0.053,634 -0.025,635 -0.058,636 -0.039,637 -0.06,638 -0.001,639 -0.037,640 -0.004,641 -0.102,642 -0.017,643 1.656,644 5.22,645 0.71,646 39.546,647 0.984,648 1.121,649 3.846,650 14.793,651 0.663,652 3.555,653 3.829,654 4.043,655 4.248,656 4.5,657 4.466,658 4.543,659 4.644,660 4.736,661 4.71,662 8.961,663 0.615,664 413.61,665 3.555,666 5.069,667 5.889,668 6.732,669 7.566,670 8.412,671 9.252,672 10.1,673 10.943,674 11.793,675 4.8,678 1,682 1,684 1,688 8,693 4,695 12,697 1,714 62,716 15,717 2,718 34,720 65,721 27,722 12,723 4,724 8,725 3,730 4,731 5,740 6,741 1,743 7,744 1,745 15,746 11,747 1,750 2,755 1,757 2,759 1,764 31,765 4,766 1,767 4,773 3,777 0.75,778 1,793 4,797 1,805 1,810 2,815 1,819 3,827 31,833 9,834 1,837 2,838 1,840 1,843 1,845 1,847 1.6,850 1,854 15.167,855 10.817,856 6.944,857 4.079,858 2.663,859 1.341,860 0.974,861 7.307,862 10.461,863 3.807,864 4.263,865 4.745,866 5.179,867 5.677,868 5.74,869 5.962,870 6.027,871 6.25,872 6.094,873 1,874 44,875 11.508,877 4.836,878 7.581,879 22.783,881 19.259,883 2.081,884 64.5,887 1,888 353.133,889 150.335,890 52.194,892 25.145,895 150.335,896 378.278,897 52.194,899 39.535,900 94.762,901 46.451,902 46.926,904 353.133,906 353.133,907 202.53,908 25.145,911 258.964,912 119.314,915 73.719,916 109.859,917 18.952,919 353.133,920 77.339,921 150.335,924 353.133,925 38.971,926 97.887,927 34.612,928 56.204,929 353.133,930 77.339,931 150.335,933 0.568,934 0.322,935 0.168,936 0.097,937 20,938 8,939 0.092,940 6,941 1,942 1.091,943 4.535,944 257.902,945 0.091,946 22,947 142.825,951 21.503,952 10.535,953 6.138,955 77.339,956 16.04,961 4.526,963 18.011,964 580.808,965 44,970 12.22,972 3.518,974 0.01,975 61.003,976 69.517,977 0.223,978 0.563,979 0.77,980 0.875,981 0.897,982 0.897,983 5.037,984 1.572,985 5.832,986 5.276,987 4.511,988 4.949,989 2.567,990 6.547,991 4.485,992 6.189,993 1.48,994 7.326,995 4.311,996 3.892,997 4.443,998 0.325,999 7.209,1000 3.856,1001 7.448,1002 1,1003 8.909,1004 3.124,1005 6.019,1006 6.951,1007 3.657,1008 10.238,1009 5.965,1010 8.73,1011 1,1012 10.545,1013 2.275,1014 6.196,1015 7.275,1016 0.393,1017 11.701,1018 6.133,1019 10.043,1020 0.919,1021 12.214,1022 2.136,1023 7.753,1024 9.234,1025 4.987,1026 14.218,1027 7.675,1028 11.374,1029 0.703,1030 13.906,1031 2.078,1032 8.326,1033 9.98,1034 0.384,1035 16.053,1036 8.239,1037 12.723,1038 0.562,1039 15.614,1040 1.633,1041 9.62,1042 11.678,1043 6.384,1044 18.38,1045 9.52,1046 2.969,1047 0.424,1048 17.336,1049 1.29,1050 10.411,1051 12.667,1052 0.351,1053 20.408,1054 10.301,1055 2.709,1056 9.376,1057 19.068,1058 0.677,1059 11.576,1060 14.222,1061 7.799,1062 22.664,1063 11.455,1064 2.545,1065 7.613,1066 20.81,1067 3.946,1068 12.489,1069 15.358,1070 0.312,1071 24.792,1072 12.358,1073 2.433,1074 7.05,1075 22.56,1076 3.527,1077 13.593,1078 16.832,1079 9.218,1080 27.026,1081 13.452,1082 2.315,1083 6.92,1084 24.318,1085 3.034,1086 14.574,1087 18.056,1088 0.273,1089 29.206,1090 14.423,1091 2.116,1092 6.609,1093 26.083,1094 2.982,1095 15.652,1096 19.483,1097 10.638,1098 31.434,1099 15.49,1100 1.929,1101 6.289,1102 27.854,1103 2.609,1104 16.672,1105 20.763,1106 0.236,1107 33.641,1108 16.499,1109 15324,1110 22966,1111 23.345,1112 41.131,1113 51.418,1114 53.116,1115 50.053,1116 49.341,1117 49.351,1118 61.371,1119 8.364,1120 133.316,1121 48.718,1122 5.312,1123 6.058,1124 6.021,1125 4.993,1126 4.969,1127 6.946,1128 4.069,1129 15.779,1130 4.936,1131 10.891,1132 1.512,1133 1.562,1134 1.472,1135 1.451,1136 1.451,1137 1.805,1138 0.246,1139 3.921,1140 1.433,1141 4.029,1142 4.069,1143 3.96,1144 3.954,1145 7.43,1146 3.951,1147 3.936,1148 3.972,1149 3.863,1150 3.871,1151 6.82,1152 3.865,1153 3.881,1154 3.923,1155 3.769,1156 3.788,1157 4.782,1158 3.776,1159 3.625,1160 3.684,1161 3.533,1162 3.459,1163 4.688,1164 3.468,1165 3.532,1166 3.576,1167 3.446,1168 3.384,1169 4.35,1170 3.391,1171 3.342,1172 3.405,1173 3.212,1174 3.216,1175 4.185,1176 3.204,1177 3.134,1178 3.208,1179 3.018,1180 2.976,1181 4.114,1182 2.971,1183 3.111,1184 3.206,1185 2.896,1186 2.941,1187 3.838,1188 2.91,1189 0.127,1190 0.119,1191 0.183,1192 0.116,1193 0.087,1194 4.312,1195 0.116,1196 4.058,1197 0.06,1198 6.219,1199 0.276,1200 3.956,1201 0.086,1202 2.969,1203 3.946,1204 2.035,1205 9.376,1206 2.936,1207 1.991,1208 1.962,1209 2.13,1210 2.098,1211 1.531,1212 2.11,1213 1.926,1214 1.896,1215 2.083,1216 2.042,1217 1.36,1218 2.059,1219 1.896,1220 1.849,1221 2.038,1222 1.989,1223 1.106,1224 2.007,1225 1.591,1226 1.533,1227 1.793,1228 1.781,1229 1.083,1230 1.786,1231 1.491,1232 1.451,1233 1.664,1234 1.675,1235 0.869,1236 1.671,1237 1.355,1238 1.295,1239 1.601,1240 1.523,1241 0.825,1242 1.553,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.729,1248 1.429,1249 1.134,1250 1.063,1251 1.428,1252 1.338,1253 0.632,1254 1.373,1255 4.234,1257 5.517,1259 6.993,1261 8.552,1263 10.154,1271 10.026,1272 3.174,1275 1.051,1276 2.533,1278 9.143,1279 2.257,1280 38.154,1281 82.443,1282 207.893,1283 284.431,1284 322.896,1285 331.16,1286 331.16,1287 53.299,1288 7.798,1289 56.13,1290 56.13,1291 24,1292 12.352,1293 4,1294 3.459,1295 49.97,1296 169,1297 155,1298 0.14,1299 235.295,1300 419.81,1301 565.88,1302 31835,1304 21.468,1305 0.693,1306 0.584,1307 21.468,1308 18.095,1309 15.191,1310 0.447,1311 0.337,1312 11.402,1313 14.908,1314 11.146,1315 9.231,1316 15.191,1317 11.473,1318 13.173,1319 0.293,1320 0.197,1321 13.173,1322 8.88,1323 10.885,1324 0.194,1325 0.12,1326 10.885,1327 6.7,1328 8.632,1329 0.125,1330 0.07,1331 8.632,1332 4.822,1333 7.319,1334 0.082,1335 0.042,1336 7.319,1337 3.72,1338 0.233,1339 93.098,1340 0.207,1341 30.317,1342 0.352,1343 158,1344 363.359,1345 165.044,1346 365.672,1347 496.56,1348 342,1349 180,1350 355.129,1351 186.823,1352 367.418,1353 525.55,1354 346,1355 7} {0 CHEMBL2113352,1 1.52,2 17.086,3 4.588,4 21.047,5 141.086,6 7.231,7 0.316,8 4.284,9 4.397,10 3.943,11 3.9,12 5.282,13 3.828,14 4.878,15 5.051,16 4.213,17 4.313,18 5.981,19 4.219,20 5.22,21 5.442,22 4.237,23 4.492,24 6.184,25 4.356,26 5.302,27 5.564,28 4.125,29 4.454,30 6.195,31 4.285,32 5.236,33 5.516,34 4.039,35 4.33,36 6.147,37 4.171,38 5.077,39 5.326,40 3.909,41 4.225,42 6.046,43 4.075,44 5.047,45 5.319,46 3.91,47 4.192,48 5.901,49 4.03,50 4.994,51 5.249,52 3.901,53 4.167,54 6.07,55 4.009,56 0.082,57 0.967,58 17.467,59 7.26,60 19.14,61 9.119,62 0.307,63 1.634,64 31.291,65 12.402,66 56.899,67 16.217,68 0.358,69 2.143,70 44.316,71 16.896,72 75.561,73 22.675,74 0.384,75 2.235,76 48.906,77 18.156,78 77.81,79 25.069,80 0.41,81 2.039,82 47.377,83 16.738,84 82.831,85 23.178,86 0.401,87 1.78,88 38.879,89 13.81,90 84.559,91 18.912,92 0.394,93 1.73,94 38.677,95 13.85,96 68.449,97 19.451,98 0.551,99 1.618,100 35.88,101 13.551,102 111.528,103 18.76,104 30,105 53,106 0.238,107 0.559,108 0.769,109 0.857,110 0.87,111 0.87,112 3.587,113 1.123,114 -4.65,115 -4.57,116 -4.3,119 41.2,121 6,122 1,124 1,125 3,127 1,134 2,140 7,141 4,142 1,156 2,169 18,171 1,172 5,174 1,176 3,178 21,182 10,186 3,189 14,193 13,197 2,199 7,203 13,208 3,211 9,215 4,220 1,222 13,225 1,226 2,229 1,231 1,233 19,236 2,240 2,244 17,248 1,249 2,254 2,256 13,259 2415,260 23.322,261 23.322,262 23.322,263 23.322,264 23.322,265 21.222,266 24.462,267 13.676,268 23.713,269 18.722,270 18.722,271 18.722,272 18.722,273 18.722,274 15.273,275 29.235,276 6.486,277 19.379,278 4.567,279 2.527,280 1.182,281 0.622,282 0.541,283 0.541,284 4.282,289 1,290 1282,291 4.359,295 496.579,299 192.828,302 2.888,303 38.267,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.5,315 598,316 4.805,317 5.18,318 7.116,319 4.187,320 3.319,321 4.666,322 2.95,323 11.689,324 2.935,325 4.311,326 4.058,327 6.218,328 3.955,329 2.967,330 3.946,331 2.035,332 9.369,333 2.865,334 3.969,335 3.475,336 5.567,337 3.694,338 2.708,339 3.503,340 1.058,341 7.615,342 2.665,343 3.809,344 3.215,345 5.402,346 3.512,347 2.52,348 3.04,349 0.916,350 7.153,351 2.483,352 3.769,353 2.733,354 5.355,355 3.401,356 2.437,357 2.987,358 0.172,359 7.021,360 2.35,361 3.559,362 2.7,363 5.232,364 3.306,365 2.315,366 2.609,368 6.645,369 2.286,370 3.32,371 2.591,372 5.106,373 3.06,374 2.084,375 2.345,377 6.152,378 2.028,379 3.12,380 2.28,381 4.75,382 2.919,383 1.925,384 2.255,386 5.308,387 1.894,388 3.004,389 2.25,390 4.492,391 2.614,392 1.618,393 2.061,395 4.422,396 1.612,397 2.934,398 2.156,399 4.419,400 2.554,401 1.569,402 2.027,404 4.383,405 1.538,406 2.905,407 1.909,408 3.498,409 2.108,410 1.118,411 1.665,413 2.559,414 1.103,415 2.624,416 1.33,417 3.414,418 2,419 1,420 1.118,422 2.275,423 1,424 2.305,425 1,426 3.327,427 1.819,428 0.835,429 1,431 1.954,432 0.82,433 2,434 0.939,435 3.256,436 1.717,437 0.739,438 0.951,440 1.68,441 0.721,442 1.959,443 0.864,444 3.128,445 1.58,446 0.582,447 0.854,449 1.351,450 0.578,451 17.033,452 0.487,453 0.962,454 0.027,455 42.25,456 1.207,457 21,458 0.6,459 21.25,460 0.607,461 34.576,462 0.988,463 38.167,464 0.561,465 31.578,466 0.902,467 7.505,468 0.214,469 9.291,470 0.265,471 0.112,472 0.049,473 0.258,479 0.509,480 1.237,481 0.878,482 1.171,483 0.54,484 1.013,485 0.666,486 1.116,487 1.034,488 1.106,489 0.438,490 1.043,491 0.981,492 1.07,493 1.014,494 1.036,495 0.794,496 1.086,497 0.832,498 1.033,499 0.896,500 0.981,501 0.757,502 1.045,503 0.885,504 0.904,505 0.807,506 0.851,507 0.776,508 0.867,509 1.189,510 1.016,511 0.987,512 0.952,513 1.109,514 1.05,515 0.705,516 0.871,517 0.782,518 0.891,519 0.785,520 0.946,521 0.516,522 0.96,523 0.802,524 0.931,525 0.498,526 0.988,527 9,528 0.227,529 3.556,530 1.625,531 2.169,532 0.861,533 0.588,534 0.578,535 0.188,536 0.299,537 22528,538 59692,539 2.051,540 48.5,541 5,542 19,545 1,547 8,550 1.758,551 1.918,552 4.01,553 -0.401,559 103.367,560 1.52,561 3.561,562 4.905,563 5.466,564 5.547,565 5.547,566 3.536,567 4.822,568 5.102,569 4.247,570 2526.89,571 8.9,572 44232.5,577 413.947,578 1.513,579 5.053,580 0.237,581 0.007,582 0.067,583 0.031,584 0.049,585 0.021,586 0.016,587 0.017,588 0.005,589 0.01,590 0.46,591 0.17,592 0.88,593 0.784,594 197.045,595 0.085,596 -0.049,597 0.176,599 -0.039,600 0.038,601 0.129,602 -0.01,603 -0.049,604 -0.052,605 0.202,606 -0.036,607 -0.104,608 -0.063,609 -0.107,610 -0.071,611 -0.014,612 -0.098,613 -0.03,614 -0.083,615 -0.016,616 -0.057,617 -0.011,618 -0.06,619 0.002,620 0.021,621 0.103,622 0.065,623 0.033,624 0.113,625 -0.142,626 -0.048,627 -0.107,628 -0.051,629 -0.107,630 -0.09,631 0.063,632 0.075,633 0.089,634 0.022,635 -0.03,636 0.039,637 0.321,638 -0.025,639 0.07,640 -0.002,641 0.265,642 0.004,643 4.185,644 5.381,645 0.629,646 48.057,647 0.994,648 1.122,649 3.418,650 11.685,651 0.668,652 3.664,653 3.989,654 4.174,655 4.369,656 4.625,657 4.595,658 4.7,659 4.754,660 4.804,661 4.844,662 9.97,663 0.622,664 491.71,665 3.664,666 5.209,667 6.033,668 6.899,669 7.738,670 8.602,671 9.448,672 10.31,673 11.16,674 12.02,675 4.4,678 1,682 1,684 1,688 7,693 5,695 12,697 1,714 68,716 17,717 2,718 38,720 71,721 28,722 12,723 5,724 7,725 3,730 4,731 5,740 6,741 1,743 7,744 1,745 15,746 12,747 1,750 4,753 1,755 3,757 2,759 1,764 33,765 6,766 1,767 7,768 1,773 3,777 0.75,778 3,793 4,797 1,805 1,810 2,815 1,819 3,821 1,823 1,827 35,829 1,833 9,834 1,837 2,838 1,840 1,843 1,845 1,847 4.4,850 3,854 18.25,855 12.233,856 7.611,857 4.288,858 3.008,859 1.371,860 0.972,861 8.188,862 11.106,863 3.932,864 4.466,865 4.902,866 5.342,867 5.863,868 6.008,869 6.284,870 6.332,871 6.418,872 6.491,873 1,874 52,875 13.184,877 5.809,878 7.817,879 25.358,881 21.692,883 2.317,884 81.083,888 376.675,889 155.646,890 52.194,892 69.458,894 6.046,895 149.6,896 446.133,897 52.194,898 7.19,899 39.535,900 91.332,901 90.764,902 48.477,904 376.675,906 376.675,907 201.795,908 69.458,909 6.046,911 282.506,912 163.627,915 73.719,916 109.124,917 24.998,919 376.675,920 121.652,921 155.646,923 6.046,924 376.675,925 40.522,926 95.601,927 34.612,928 100.517,929 376.675,930 121.652,931 155.646,933 0.585,934 0.324,935 0.162,936 0.095,937 24,938 11,939 0.099,940 7,941 1,942 1.091,943 4.759,944 305.727,945 0.091,946 22,947 173.525,950 1,951 25.33,952 11.314,953 7.119,955 121.652,956 12.654,961 4.349,963 18.011,964 653.974,965 50,968 -3.268,970 35.788,972 3.148,974 -0.134,975 67.618,976 76.271,977 0.25,978 0.585,979 0.806,980 0.898,981 0.911,982 0.911,983 5.193,984 1.925,985 6.038,986 6.152,987 4.673,988 5.153,989 3.415,990 6.825,991 4.605,992 6.404,993 1.618,994 7.59,995 5.308,996 4.369,997 5.139,998 0.325,999 7.861,1000 4.186,1001 7.727,1002 1.569,1003 9.248,1004 4.422,1005 6.297,1006 7.354,1007 5.248,1008 10.82,1009 6.127,1010 9.083,1011 1.118,1012 10.97,1013 4.383,1014 6.77,1015 8.182,1016 0.393,1017 12.686,1018 6.446,1019 10.476,1020 1,1021 12.737,1022 2.559,1023 8.211,1024 9.939,1025 7.289,1026 15.25,1027 7.89,1028 11.896,1029 0.835,1030 14.538,1031 2.275,1032 9.043,1033 11.144,1034 0.384,1035 17.465,1036 8.557,1037 13.338,1038 0.739,1039 16.366,1040 1.954,1041 10.3,1042 12.744,1043 9.398,1044 19.928,1045 9.786,1046 3.319,1047 0.582,1048 18.217,1049 1.68,1050 11.308,1051 14.122,1052 0.351,1053 22.286,1054 10.635,1055 2.967,1056 11.689,1057 20.086,1058 1.351,1059 12.498,1060 15.669,1061 11.535,1062 24.729,1063 11.763,1064 2.708,1065 9.369,1066 21.972,1067 4.666,1068 13.592,1069 17.126,1070 0.312,1071 27.143,1072 12.708,1073 2.52,1074 7.615,1075 23.87,1076 3.946,1077 14.763,1078 18.656,1079 13.686,1080 29.587,1081 13.791,1082 2.437,1083 7.153,1084 25.78,1085 3.503,1086 15.9,1087 20.152,1088 0.273,1089 32.023,1090 14.787,1091 2.315,1092 7.021,1093 27.698,1094 3.04,1095 17.07,1096 21.68,1097 15.844,1098 34.471,1099 15.852,1100 2.084,1101 6.645,1102 29.625,1103 2.987,1104 18.229,1105 23.194,1106 0.236,1107 36.918,1108 16.876,1109 21388,1110 35044,1111 25.137,1112 45.449,1113 58.187,1114 61.791,1115 56.959,1116 56.49,1117 56.348,1118 71.289,1119 14.264,1120 160.63,1121 54.594,1122 5.805,1123 7.18,1124 6.666,1125 5.224,1126 5.319,1127 7.666,1128 5.9,1129 18.66,1130 4.935,1131 18.9,1132 1.531,1133 1.626,1134 1.499,1135 1.487,1136 1.483,1137 1.876,1138 0.375,1139 4.227,1140 1.437,1141 4.091,1142 4.088,1143 4.735,1144 4.101,1145 7.716,1146 4.009,1147 4.014,1148 4.033,1149 3.957,1150 3.947,1151 7.43,1152 3.94,1153 3.903,1154 3.95,1155 3.817,1156 3.799,1157 6.999,1158 3.785,1159 3.726,1160 3.728,1161 3.737,1162 3.668,1163 6.82,1164 3.606,1165 3.61,1166 3.663,1167 3.523,1168 3.449,1169 4.731,1170 3.452,1171 3.5,1172 3.536,1173 3.432,1174 3.349,1175 4.686,1176 3.35,1177 3.326,1178 3.387,1179 3.194,1180 3.199,1181 4.348,1182 3.185,1183 3.155,1184 3.223,1185 3.035,1186 3.022,1187 4.174,1188 3.014,1189 0.126,1190 0.136,1191 0.187,1192 0.11,1193 0.087,1194 4.805,1195 0.123,1196 5.18,1197 0.078,1198 7.116,1199 0.308,1200 4.187,1201 0.077,1202 3.319,1203 4.666,1204 2.95,1205 11.689,1206 2.935,1207 1.993,1208 2.002,1209 2.13,1210 2.098,1211 1.531,1212 2.111,1213 1.99,1214 1.962,1215 2.083,1216 2.05,1217 1.36,1218 2.085,1219 1.903,1220 1.853,1221 2.019,1222 2.025,1223 1.231,1224 2.054,1225 1.635,1226 1.641,1227 1.793,1228 1.793,1229 1.087,1230 1.811,1231 1.574,1232 1.519,1233 1.668,1234 1.729,1235 0.881,1236 1.764,1237 1.442,1238 1.407,1239 1.615,1240 1.626,1241 0.865,1242 1.64,1243 1.336,1244 1.279,1245 1.559,1246 1.508,1247 0.825,1248 1.539,1249 1.159,1250 1.097,1251 1.513,1252 1.376,1253 0.725,1254 1.429,1255 4.344,1257 5.666,1259 7.171,1261 8.754,1263 10.379,1265 1.177,1271 9.538,1272 3.103,1275 0.89,1276 2.52,1278 9.089,1279 2.229,1280 42.298,1281 103.367,1282 242.115,1283 333.567,1284 371.683,1285 377.193,1286 377.193,1287 83.253,1288 8.099,1289 90.27,1290 98.65,1291 24,1292 12.572,1293 4.17,1294 3.7,1295 60.203,1296 215,1297 199,1298 0.133,1299 264.011,1300 473.2,1301 635.947,1302 47417,1304 24.838,1305 0.71,1306 0.602,1307 25.088,1308 21.059,1309 16.796,1310 0.442,1311 0.374,1312 12.397,1313 15.627,1314 11.9,1315 9.849,1316 17.691,1317 14.221,1318 15.764,1319 0.297,1320 0.223,1321 17.152,1322 11.83,1323 12.168,1324 0.19,1325 0.13,1326 12.912,1327 8.297,1328 9.491,1329 0.122,1330 0.074,1331 10.018,1332 5.778,1333 8.152,1334 0.081,1335 0.044,1336 8.643,1337 4.459,1338 0.223,1339 112.672,1340 0.199,1341 33.51,1342 0.333,1343 182,1344 485.69,1345 226.003,1346 498.849,1347 661.09,1348 458,1349 208,1350 442.854,1351 256.655,1352 487.338,1353 693.12,1354 454,1355 5.4} {0 CHEMBL2113386,1 1.711,2 10.926,3 4.017,4 16.139,5 118.214,6 10.111,7 0.533,8 3.992,9 4.1,10 3.955,11 3.671,12 4.959,13 3.577,14 4.562,15 4.71,16 4.315,17 4.106,18 5.742,19 3.979,20 4.852,21 5.07,22 4.43,23 4.249,24 5.815,25 4.047,26 4.817,27 5.044,28 4.545,29 4.226,30 5.803,31 3.98,32 4.757,33 4.963,34 4.521,35 4.045,36 5.941,37 3.911,38 4.674,39 4.883,40 4.062,41 3.978,42 5.752,43 3.839,44 4.625,45 4.849,46 4.112,47 3.964,48 5.67,49 3.787,50 4.555,51 4.779,52 4.022,53 3.903,54 5.525,55 3.679,56 0.093,57 0.738,58 7.986,59 4.957,60 14.764,61 5.792,62 0.285,63 1.236,64 18.021,65 9.383,66 51.591,67 10.957,68 0.286,69 1.564,70 36.84,71 13.851,72 44.927,73 15.247,74 0.169,75 1.531,76 79.361,77 17.945,78 37.711,79 16.734,80 0.301,81 1.401,82 47.954,83 13.165,84 59.179,85 13.014,86 0.295,87 1.302,88 30.771,89 10.452,90 45.926,91 11.408,92 0.324,93 1.234,94 29.082,95 10.954,96 42.954,97 12.4,98 0.288,99 1.133,100 38.961,101 11.239,102 50.836,103 11.498,104 10,105 43,106 0.287,107 0.626,108 0.814,109 0.895,110 0.902,111 0.902,112 3.34,113 1.18,114 -3.92,115 -3.88,116 -3.68,119 40.8,121 3,125 2,127 1,140 7,141 3,142 2,149 1,150 1,169 9,171 1,174 2,176 8,178 11,182 2,186 7,189 10,193 6,197 3,199 5,203 10,207 2,208 6,211 5,215 4,220 3,222 6,226 2,229 2,230 1,231 2,233 11,242 2,244 11,249 2,252 2,254 1,256 6,259 1114,260 18.102,261 18.102,262 18.102,263 18.102,264 18.102,265 15.83,266 19.186,267 10.647,268 18.543,269 14.858,270 14.858,271 14.858,272 14.858,273 14.858,274 11.417,275 20.882,276 5.118,277 15.689,278 3.904,279 1.887,280 0.768,281 0.286,282 0.245,283 0.245,284 4.034,289 1,290 646,291 3.536,294 137.515,295 166.507,298 113.225,302 1.712,303 26.775,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 56.9,315 295,316 4.725,317 4.51,318 6.793,319 4.196,320 3.263,321 4.545,322 1.416,323 11.262,324 3.081,325 4.543,326 3.188,327 6.551,328 4.065,329 3.086,330 4.463,331 0.4,332 10.386,333 2.957,334 4.11,335 3.03,336 5.968,337 3.626,338 2.705,339 3.733,341 8.376,342 2.474,343 3.689,344 2.705,345 5.467,346 3.505,347 2.537,348 3.079,350 7.291,351 2.423,352 3.516,353 2.415,354 5.206,355 3.172,356 2.205,357 2.726,359 6.507,360 2.124,361 3.237,362 2.012,363 4.98,364 2.839,365 1.864,366 2.405,368 5.597,369 1.814,370 2.888,371 1.808,372 4.2,373 2.432,374 1.44,375 2.06,377 3.754,378 1.431,379 2.828,380 1.497,381 4.122,382 2.303,383 1.414,384 1.954,386 3.439,387 1.266,388 2.713,389 1.349,390 3.611,391 2.272,392 1.29,393 1.805,395 2.97,396 1.089,397 2.28,398 1.188,399 3.451,400 2.095,401 1.124,402 1.245,404 2.541,405 1.069,406 2.07,407 0.889,408 3.396,409 1.675,410 0.714,411 0.959,413 1.709,414 0.684,415 1.618,416 0.803,417 3.209,418 1.567,419 0.618,420 0.618,422 1.372,423 0.585,424 1.429,425 0.733,426 3,427 1.071,428 0.184,429 0.219,431 0.463,432 0.106,433 1.274,434 0.347,435 2.84,436 0.914,437 -0.03,438 -0.036,440 -0.079,441 -0.022,442 1,443 0.093,444 2.621,445 0.602,446 -0.372,447 -0.431,449 -1.103,450 -0.236,451 14.343,452 0.531,453 0.758,454 0.028,455 34.25,456 1.269,457 17.5,458 0.648,459 16.75,460 0.62,461 25.219,462 0.934,463 28.257,464 0.577,465 22.499,466 0.833,467 5.999,468 0.222,469 7.001,470 0.259,471 0.161,472 0.058,473 0.244,479 0.589,480 1.145,481 0.494,482 0.731,483 0.649,484 0.821,485 0.616,486 1.135,487 0.567,488 0.754,489 0.502,490 0.953,491 1.132,492 0.938,493 0.779,494 0.785,495 1.047,496 0.96,497 0.809,498 1.092,499 1.158,500 1.141,501 0.722,502 1.03,503 1.429,504 1.08,505 0.841,506 1.021,507 1.535,508 0.926,509 1.505,510 0.987,511 0.558,512 0.701,513 1.442,514 0.922,515 0.891,516 0.892,517 0.541,518 0.703,519 0.889,520 0.901,521 1.358,522 0.936,523 1.063,524 0.992,525 1.453,526 1.047,527 6.5,528 0.116,529 2.889,530 2.201,531 1.546,532 0.719,533 0.731,534 0.272,535 0.276,536 0.212,537 9364,538 24951,539 2.11,540 44.9,542 12,543 1,545 3,547 6,550 1.7,551 1.988,552 3.415,553 0.945,555 1,558 1,559 83.82,560 1.711,561 3.728,562 4.846,563 5.329,564 5.37,565 5.37,566 2.894,567 4.459,568 4.727,569 3.596,570 1262.25,571 8.203,572 16306.8,577 275.121,578 1.481,579 4.685,580 0.217,581 0.006,582 0.067,583 0.058,584 0.042,585 0.019,586 0.022,587 0.009,588 0.012,589 0.009,590 0.46,591 0.33,592 0.88,593 0.528,594 134.272,595 0.091,596 -0.015,597 0.016,598 -0.011,599 -0.135,600 0.058,601 0.256,602 -0.072,603 -0.006,604 -0.026,605 0.285,606 -0.066,607 -0.155,608 0.046,610 0.06,611 -0.102,612 -0.021,613 0.041,614 -0.103,615 -0.004,616 -0.022,617 0.101,618 0.002,619 -0.014,620 -0.095,621 0.038,622 -0.09,623 0.026,624 0.017,625 -0.21,626 0.019,627 -0.024,628 -0.001,629 -0.137,630 -0.045,631 0.105,632 0.09,633 0.019,634 0.039,635 0.074,636 0.026,637 -0.219,638 0.025,639 -0.053,640 -0.004,641 -0.237,642 -0.075,643 4.391,644 5.627,645 0.741,646 24.974,647 0.999,648 1.116,649 2.693,650 7.254,651 0.732,652 3.434,653 3.784,654 4.007,655 4.29,656 4.431,657 4.477,658 4.663,659 4.771,660 4.779,661 4.868,662 6.553,663 0.658,664 495.42,665 3.434,666 4.99,667 5.832,668 6.723,669 7.58,670 8.473,671 9.339,672 10.232,673 11.103,674 11.996,675 6.1,677 1,680 1,683 1,687 2,688 8,690 1,693 4,695 16,713 1,714 49,716 18,717 2,718 30,720 52,721 20,722 14,723 5,724 7,730 4,731 5,740 3,743 4,745 14,746 6,750 2,753 1,755 2,764 22,765 4,766 3,767 7,768 2,769 1,773 3,777 0.75,778 2,788 1,789 1,792 2,793 2,796 1,814 1,819 3,821 1,826 1,827 27,830 1,833 5,834 2,837 1,846 1,847 4.1,850 2,854 13.583,855 8.393,856 5.75,857 2.932,858 3.012,859 1.402,860 1.041,861 5.663,862 10.512,863 3.714,864 4.366,865 4.855,866 5.473,867 5.953,868 6.211,869 6.647,870 7.025,871 7.049,872 7.336,873 1,874 38,875 10.247,877 4.637,878 7.699,879 19.638,881 16.973,883 2.199,884 59.37,888 223.651,889 164.084,890 51.201,892 44.313,894 62.589,895 101.495,896 267.964,897 51.201,899 10.609,900 99.199,901 60.718,902 30.146,903 13.915,904 268.662,906 223.651,907 152.696,908 44.313,909 5.807,910 56.782,911 153.024,912 114.94,915 45.405,916 90.886,917 22.212,918 56.782,919 223.651,920 95.514,921 107.302,922 56.782,923 5.807,924 223.651,925 26.114,926 132.163,927 51.201,928 44.313,929 223.651,930 95.514,931 107.302,932 56.782,933 0.589,934 0.329,935 0.179,936 0.092,937 22,938 9,939 0.115,940 6,941 1,942 1.1,943 3.942,944 231.719,945 0.1,946 20,947 126.382,950 1,951 19.086,952 8.011,953 4.605,954 2.113,955 78.729,956 15.256,958 3.293,961 3.589,963 51.201,964 483.249,965 40,968 -3.474,970 25.255,975 48.942,976 54.706,977 0.305,978 0.664,979 0.863,980 0.949,981 0.956,982 0.956,983 4.963,984 1.414,985 5.849,986 3.754,987 4.466,988 5.053,989 1.674,990 6.681,991 4.362,992 6.203,993 1.29,994 7.421,995 3.439,996 4.205,997 5.156,999 7.789,1000 3.996,1001 7.554,1002 1.124,1003 9.099,1004 2.97,1005 6.129,1006 7.391,1007 2.208,1008 10.789,1009 5.93,1010 8.947,1011 0.714,1012 10.841,1013 2.541,1014 6.673,1015 8.305,1017 12.691,1018 6.368,1019 10.375,1020 0.618,1021 12.622,1022 1.709,1023 8.099,1024 10.074,1025 2.842,1026 15.264,1027 7.791,1028 11.826,1029 0.184,1030 14.431,1031 1.372,1032 8.987,1033 11.321,1035 17.466,1036 8.586,1037 13.295,1038 -0.03,1039 16.26,1040 0.463,1041 10.233,1042 12.926,1043 3.508,1044 19.912,1045 9.811,1046 3.263,1047 -0.372,1048 18.102,1049 -0.079,1050 11.27,1051 14.315,1053 22.232,1054 10.771,1055 3.086,1056 11.262,1057 19.955,1058 -1.103,1059 12.452,1060 15.856,1061 4.189,1062 24.641,1063 11.919,1064 2.705,1065 10.386,1066 21.817,1067 4.545,1068 13.556,1069 17.308,1071 27.007,1072 12.956,1073 2.537,1074 8.376,1075 23.685,1076 4.463,1077 14.718,1078 18.825,1079 4.878,1080 29.408,1081 14.075,1082 2.205,1083 7.291,1084 25.56,1085 3.733,1086 15.851,1087 20.304,1089 31.794,1090 15.149,1091 1.864,1092 6.507,1093 27.438,1094 3.079,1095 17.009,1096 21.812,1097 5.57,1098 34.194,1099 16.259,1100 1.44,1101 5.597,1102 29.321,1103 2.726,1104 18.158,1105 23.304,1107 36.591,1108 17.35,1109 8809,1110 14598,1111 20.167,1112 35.847,1113 44.624,1114 46.6,1115 45.373,1116 45.112,1117 44.892,1118 59.623,1119 3.633,1120 131.334,1121 42.205,1122 5.657,1123 6.51,1124 6.479,1125 5.262,1126 5.263,1127 7.545,1128 2.833,1129 18.075,1130 5.081,1131 11.236,1132 1.487,1133 1.553,1134 1.512,1135 1.504,1136 1.496,1137 1.987,1138 0.121,1139 4.378,1140 1.407,1141 4.159,1142 4.186,1143 10.695,1144 4.122,1145 7.716,1146 4.074,1147 4.002,1148 3.995,1149 4.724,1150 4.029,1151 6.999,1152 3.923,1153 3.831,1154 3.894,1155 4.079,1156 3.827,1157 4.964,1158 3.689,1159 3.765,1160 3.76,1161 3.726,1162 3.671,1163 4.717,1164 3.631,1165 3.396,1166 3.438,1167 3.689,1168 3.346,1169 4.404,1170 3.28,1171 3.117,1172 3.202,1173 3.324,1174 3.291,1175 4.31,1176 2.933,1177 2.915,1178 2.973,1179 2.962,1180 2.934,1181 3.815,1182 2.851,1183 2.859,1184 2.919,1185 2.792,1186 2.776,1187 3.724,1188 2.752,1189 0.158,1190 0.15,1191 0.226,1192 0.14,1193 0.109,1194 4.725,1195 0.151,1196 4.51,1197 0.047,1198 6.793,1199 0.375,1200 4.196,1201 0.103,1202 3.263,1203 4.545,1204 1.416,1205 11.262,1206 3.081,1207 1.978,1208 1.971,1209 2.029,1210 2.056,1211 1.316,1212 2.081,1213 1.913,1214 1.895,1215 1.98,1216 1.966,1217 1.254,1218 1.992,1219 1.696,1220 1.657,1221 1.894,1222 1.86,1223 1.154,1224 1.873,1225 1.589,1226 1.608,1227 1.786,1228 1.735,1229 1.036,1230 1.771,1231 1.529,1232 1.456,1233 1.557,1234 1.723,1235 0.856,1236 1.763,1237 1.342,1238 1.265,1239 1.484,1240 1.579,1241 0.688,1242 1.582,1243 1.034,1244 0.975,1245 1.258,1246 1.234,1247 0.391,1248 1.252,1249 0.882,1250 0.842,1251 1.102,1252 1.07,1253 0.224,1254 1.103,1255 4.111,1257 5.451,1258 3.045,1259 6.963,1260 5.283,1261 8.555,1262 7.273,1263 10.191,1268 2.167,1271 4.413,1272 6.255,1275 0.504,1280 32.266,1281 83.82,1282 182.661,1283 237.469,1284 261.121,1285 263.121,1286 263.121,1287 49.332,1288 7.499,1289 73.99,1290 82.37,1291 22,1292 12.527,1293 4.248,1294 3.459,1295 40.249,1296 106,1297 93,1298 0.184,1299 209.643,1300 348.31,1301 503.289,1302 19145,1303 2,1304 18.855,1305 0.698,1306 0.66,1307 20.605,1308 17.808,1309 13,1310 0.433,1311 0.393,1312 9.203,1313 11.268,1314 8.803,1315 7.256,1316 14.72,1317 11.805,1318 12.421,1319 0.289,1320 0.23,1321 14.82,1322 9.909,1323 9.726,1324 0.18,1325 0.134,1326 11.695,1327 7.263,1328 8.36,1329 0.116,1330 0.079,1331 10.213,1332 5.699,1333 6.277,1334 0.076,1335 0.047,1336 8.305,1337 3.901,1338 0.29,1339 102.392,1340 0.223,1341 26.027,1342 0.501,1343 146,1344 380.979,1345 337.919,1346 437.133,1347 583.32,1348 402,1349 170,1350 375.107,1351 279.622,1352 431.419,1353 624.11,1354 404,1355 7.187} {0 CHEMBL2114036,1 1.534,2 14.939,3 4.162,4 17.318,5 128.191,6 7.387,7 0.568,8 4.217,9 4.353,10 3.786,11 3.73,12 5.276,13 3.714,14 4.79,15 4.987,16 4.133,17 4.149,18 5.809,19 4.111,20 5.059,21 5.293,22 4.103,23 4.3,24 6.019,25 4.202,26 5.139,27 5.399,28 4.054,29 4.302,30 6.009,31 4.169,32 5.173,33 5.467,34 4.022,35 4.199,36 6.105,37 4.081,38 4.997,39 5.264,40 3.972,41 4.114,42 5.98,43 4.019,44 4.937,45 5.19,46 3.956,47 4.104,48 5.862,49 3.997,50 4.979,51 5.257,52 3.81,53 4.022,54 5.94,55 3.907,56 0.052,57 1.096,58 12.732,59 5.419,60 10.973,61 7.31,62 0.297,63 1.784,64 25.316,65 8.928,66 27.226,67 12.33,68 0.522,69 2.128,70 35.648,71 12.824,72 53.665,73 17.484,74 0.289,75 2.135,76 39.149,77 14.635,78 47.285,79 20.768,80 0.677,81 2.185,82 44.026,83 13.978,84 85.12,85 19.726,86 0.666,87 1.933,88 35.711,89 11.299,90 67.97,91 15.782,92 0.366,93 1.799,94 31.845,95 11.209,96 41.031,97 16.068,98 0.54,99 1.841,100 35.506,101 11.112,102 71.683,103 15.406,104 5,105 51,106 0.246,107 0.562,108 0.723,109 0.83,110 0.84,111 0.861,112 3.531,113 0.926,114 -5.61,115 -5.48,116 -5.12,119 41,121 2,125 6,127 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 3,176 3,178 10,181 1,182 4,186 3,189 7,193 8,199 3,203 8,206 1,211 1,215 6,218 1,226 6,229 2,236 1,237 3,244 1,249 2,252 1,256 2,259 2053,260 22.687,261 22.687,262 22.687,263 22.687,264 22.687,265 20.223,266 24.109,267 13.504,268 23.264,269 18.319,270 18.319,271 18.319,272 18.319,273 18.319,274 14.674,275 24.464,276 6.49,277 19.289,278 4.397,279 2.424,280 1.421,281 0.754,282 0.689,283 0.557,284 4.241,288 1,289 1,290 1098,291 3.391,294 178.147,295 341.855,298 151.966,302 2.433,303 30.975,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 72,315 493,316 4.571,317 3.243,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.131,326 3.062,327 6.098,328 3.705,329 2.77,330 3.732,331 0.8,332 8.897,333 2.613,334 4.044,335 2.994,336 5.58,337 3.663,338 2.711,339 3.648,341 7.649,342 2.588,343 3.704,344 2.902,345 5.502,346 3.579,347 2.631,348 2.848,350 7.436,351 2.459,352 3.499,353 2.771,354 5.296,355 3.304,356 2.376,357 2.692,359 6.783,360 2.198,361 3.344,362 2.508,363 5.12,364 3.031,365 2.086,366 2.604,368 6.157,369 1.966,370 3.268,371 2.36,372 4.74,373 2.889,374 1.94,375 2.544,377 5.279,378 1.825,379 3.2,380 2.038,381 4.647,382 2.751,383 1.807,384 2.299,386 4.856,387 1.701,388 2.892,389 1.787,390 4.506,391 2.648,392 1.702,393 1.941,395 4.646,396 1.592,397 2.689,398 1.312,399 4.072,400 2.207,401 1.237,402 1.763,404 3.308,405 1.197,406 2.667,407 1.286,408 3.49,409 2.195,410 1.209,411 1.738,413 2.629,414 1.186,415 2.383,416 1.146,417 3.414,418 1.967,419 1,420 1.331,422 2.275,423 0.965,424 2.118,425 0.975,426 3.341,427 1.883,428 0.922,429 1,431 2.146,432 0.884,433 2.077,434 0.83,435 3.233,436 1.683,437 0.708,438 0.927,440 1.683,441 0.688,442 2,443 0.702,444 3.188,445 1.573,446 0.618,447 0.898,449 1.511,450 0.588,451 15.471,452 0.469,453 0.708,454 0.021,455 40.25,456 1.22,457 18,458 0.545,459 22.25,460 0.674,461 29.667,462 0.899,463 36.129,464 0.592,465 29.703,466 0.9,467 8.094,468 0.245,469 8.043,470 0.244,471 0.037,473 0.304,474 1,477 1,479 0.618,480 1.219,481 0.75,482 1.144,483 0.498,484 1.008,485 0.925,486 1.003,487 0.957,488 0.957,489 0.672,490 0.949,491 1.025,492 0.958,493 1.127,494 1.058,495 1,496 1.103,497 0.642,498 1.053,499 0.926,500 1.191,501 0.617,502 1.139,503 1.104,504 0.974,505 0.92,506 0.884,507 1.189,508 0.872,509 1.186,510 0.944,511 1.046,512 0.902,513 1.259,514 0.938,515 0.678,516 1.018,517 0.924,518 1.133,519 0.679,520 1.095,521 1.301,522 1.065,523 1.137,524 1,525 1.337,526 1.026,527 6.5,528 0.111,529 3.111,530 1.507,531 1.463,532 0.927,533 0.549,534 0.426,535 0.232,536 0.248,537 19273,538 50927,539 2.168,540 45.9,542 20,543 1,544 2,545 1,547 4,550 1.746,551 2.084,552 3.847,553 -0.352,559 93.563,560 1.534,561 3.507,562 4.51,563 5.177,564 5.242,565 5.373,566 3.279,567 4.741,568 5.015,569 4.067,570 2147.12,571 8.744,572 34513.2,574 1,577 361.775,578 1.182,579 4.999,580 0.176,581 0.004,582 0.061,583 0.032,584 0.034,585 0.023,586 0.014,587 0.011,588 0.007,589 0.009,590 0.37,591 0.33,592 0.75,593 0.398,594 180.084,595 0.014,596 -0.162,597 0.068,598 -0.078,599 0.004,600 -0.014,601 -0.094,602 0.023,603 -0.055,604 0.032,605 -0.003,606 0.008,607 -0.087,608 0.062,609 -0.177,610 -0.042,611 -0.065,612 -0.11,613 0.032,614 -0.206,615 0.012,616 -0.171,617 0.047,618 -0.104,619 -0.009,620 -0.013,621 0.119,622 0.088,623 -0.03,624 0.122,625 -0.035,626 0.095,627 -0.027,628 0.072,629 -0.077,630 0.034,631 0.084,632 -0.131,633 0.023,634 -0.143,635 0.024,636 -0.092,637 -0.136,638 -0.048,639 -0.103,640 -0.038,641 -0.118,642 -0.057,643 2.263,644 7.027,645 0.788,646 42.244,647 1.004,648 1.142,649 4.383,650 19.213,651 0.656,652 3.638,653 3.951,654 4.205,655 4.466,656 4.635,657 4.71,658 4.852,659 4.97,660 5.03,661 5.106,662 8.857,663 0.627,664 450.59,665 3.638,666 5.176,667 6.019,668 6.887,669 7.742,670 8.613,671 9.476,672 10.35,673 11.217,674 12.093,675 9.8,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 61,716 21,717 2,718 37,720 65,721 25,722 16,723 5,724 7,728 1,730 5,731 6,743 3,745 16,746 9,762 2,764 28,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 2,827 33,833 8,837 1,838 2,844 1,846 2,854 15.833,855 10.702,856 7.167,857 3.727,858 3.581,859 1.435,860 1.023,861 6.701,862 11.819,863 3.882,864 4.466,865 5.039,866 5.625,867 6.057,868 6.394,869 6.82,870 7.236,871 7.445,872 7.679,873 0.9,874 47,875 12.289,877 5.311,878 7.737,879 23.732,881 19.987,883 2.237,884 73.833,887 1,888 317.82,889 135.467,890 58.259,893 29.92,895 135.467,896 317.82,897 88.179,899 19.883,900 75.381,901 74.105,902 45.755,903 43.835,904 282.506,906 317.82,907 193.726,908 29.92,911 300.656,912 47.084,915 62.053,916 98.347,917 33.326,919 347.74,920 58.259,921 135.467,924 319.999,925 40.669,926 100.766,927 16.786,928 63.246,929 317.82,930 88.179,931 135.467,933 0.579,934 0.33,935 0.18,936 0.092,937 25,938 10,939 0.123,940 8,941 1,942 1.077,943 4.675,944 296.455,945 0.077,946 26,947 158.465,951 22.059,952 10.025,953 5.428,954 2.034,955 69.495,956 18.072,957 7.718,958 3.256,961 2.781,962 1.844,963 16.786,964 541.466,965 47.5,975 61.239,976 69.652,977 0.259,978 0.591,979 0.76,980 0.873,981 0.884,982 0.906,983 5.113,984 1.807,985 5.984,986 5.279,987 4.635,988 5.153,989 1.072,990 6.751,991 4.537,992 6.293,993 1.702,994 7.509,995 4.856,996 4.111,997 4.844,998 0.57,999 7.526,1000 3.938,1001 7.578,1002 1.237,1003 9.129,1004 4.646,1005 6.188,1006 7.321,1007 0.653,1008 10.605,1009 6.007,1010 8.898,1011 1.209,1012 10.805,1013 3.308,1014 6.494,1015 7.924,1016 0.479,1017 12.236,1018 6.252,1019 10.253,1020 1,1021 12.519,1022 2.629,1023 8.001,1024 9.825,1025 0.432,1026 14.81,1027 7.75,1028 11.632,1029 0.922,1030 14.259,1031 2.275,1032 8.701,1033 10.879,1034 0.346,1035 16.821,1036 8.409,1037 13.032,1038 0.708,1039 16.021,1040 2.146,1041 9.968,1042 12.539,1043 0.291,1044 19.224,1045 9.665,1046 3.126,1047 0.618,1048 17.799,1049 1.683,1050 10.868,1051 13.82,1052 0.237,1053 21.41,1054 10.538,1055 2.77,1056 10.462,1057 19.59,1058 1.511,1059 12.033,1060 15.378,1061 0.195,1062 23.757,1063 11.69,1064 2.711,1065 8.897,1066 21.392,1067 4.519,1068 13.035,1069 16.77,1070 0.158,1071 26.023,1072 12.674,1073 2.631,1074 7.649,1075 23.205,1076 3.732,1077 14.16,1078 18.288,1079 0.129,1080 28.356,1081 13.787,1082 2.376,1083 7.436,1084 25.025,1085 3.648,1086 15.214,1087 19.734,1088 0.104,1089 30.659,1090 14.829,1091 2.086,1092 6.783,1093 26.853,1094 2.848,1095 16.326,1096 21.238,1097 0.084,1098 32.991,1099 15.929,1100 1.94,1101 6.157,1102 28.687,1103 2.692,1104 17.41,1105 22.712,1106 0.068,1107 35.313,1108 17.002,1109 17659,1110 28862,1111 25.542,1112 40.046,1113 55.698,1114 55.161,1115 55.63,1116 55.159,1117 55.003,1118 70.552,1119 3.2,1120 154.382,1121 52.227,1122 5.571,1123 5.243,1124 6.169,1125 5.174,1126 5.126,1127 7.519,1128 1.2,1129 17.208,1130 5.068,1131 11.141,1132 1.505,1133 1.491,1134 1.504,1135 1.491,1136 1.487,1137 1.907,1138 0.086,1139 4.172,1140 1.412,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.202,1146 4.07,1147 3.949,1148 3.994,1149 3.88,1150 3.865,1151 8.19,1152 3.863,1153 3.845,1154 3.912,1155 3.792,1156 3.651,1157 5.135,1158 3.665,1159 3.814,1160 3.882,1161 3.725,1162 3.578,1163 4.925,1164 3.616,1165 3.561,1166 3.627,1167 3.452,1168 3.379,1169 4.645,1170 3.388,1171 3.354,1172 3.424,1173 3.231,1174 3.201,1175 4.362,1176 3.196,1177 3.252,1178 3.323,1179 3.132,1180 3.078,1181 4.252,1182 3.081,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.94,1188 2.91,1189 0.124,1190 0.088,1191 0.178,1192 0.111,1193 0.084,1194 4.571,1195 0.122,1196 3.243,1197 0.022,1198 6.572,1199 0.283,1200 4.106,1201 0.083,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.06,1210 2.064,1211 1.363,1212 2.065,1213 1.919,1214 1.889,1215 2.036,1216 2.044,1217 1.255,1218 2.043,1219 1.793,1220 1.727,1221 1.974,1222 1.974,1223 1.178,1224 1.979,1225 1.642,1226 1.586,1227 1.827,1228 1.827,1229 1.065,1230 1.83,1231 1.417,1232 1.345,1233 1.642,1234 1.672,1235 0.85,1236 1.652,1237 1.375,1238 1.309,1239 1.546,1240 1.585,1241 0.825,1242 1.591,1243 1.246,1244 1.178,1245 1.513,1246 1.458,1247 0.695,1248 1.471,1249 1.153,1250 1.064,1251 1.463,1252 1.442,1253 0.579,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.122,1260 5.283,1261 8.694,1262 7.286,1263 10.31,1267 28.374,1271 6.099,1275 -0.929,1276 4.585,1280 38.217,1281 93.563,1282 213.908,1283 275.104,1284 315.775,1285 319.775,1286 327.775,1287 57.791,1288 8.239,1289 52.98,1290 52.98,1291 28,1292 12.634,1293 4.459,1294 3.524,1295 48.269,1296 177,1297 163,1298 0.129,1299 230.428,1300 390.04,1301 554.003,1302 54271,1303 3.3,1304 22.623,1305 0.686,1306 0.561,1307 20.882,1308 18.5,1309 16.136,1310 0.436,1311 0.309,1312 11.23,1313 15.386,1314 11.053,1315 9.051,1316 15.348,1317 11.421,1318 14.558,1319 0.285,1320 0.171,1321 13.278,1322 8.737,1323 12.104,1324 0.183,1325 0.098,1326 11.53,1327 6.436,1328 10.261,1329 0.119,1330 0.053,1331 9.52,1332 4.588,1333 7.813,1334 0.077,1335 0.031,1336 7.34,1337 3.177,1338 0.212,1339 101.803,1340 0.198,1341 31.61,1342 0.33,1343 176,1344 562.781,1345 194.846,1346 495.8,1347 667.5,1348 466,1349 205,1350 480.809,1351 224.1,1352 477.307,1353 692.96,1354 449,1355 8.237} {0 CHEMBL2114038,1 1.62,2 15.278,3 4.589,4 21.054,5 133.036,6 7.822,7 0.525,8 4.273,9 4.405,10 3.873,11 3.774,12 5.372,13 3.773,14 4.866,15 5.049,16 4.297,17 4.199,18 6.287,19 4.179,20 5.119,21 5.347,22 4.27,23 4.353,24 6.167,25 4.278,26 5.239,27 5.489,28 4.253,29 4.354,30 6.306,31 4.268,32 5.265,33 5.548,34 4.127,35 4.262,36 6.363,37 4.161,38 5.073,39 5.342,40 4.055,41 4.185,42 6.037,43 4.097,44 5.041,45 5.276,46 4.141,47 4.185,48 6.114,49 4.117,50 5.139,51 5.408,52 4.11,53 4.11,54 6.503,55 4.037,56 0.147,57 1.28,58 12.244,59 5.84,60 26.521,61 7.304,62 0.979,63 2.382,64 26.598,65 9.928,66 152.986,67 12.675,68 0.701,69 2.384,70 36.454,71 13.572,72 74.207,73 18.335,74 0.81,75 2.603,76 43.65,77 15.389,78 106.045,79 20.393,80 1.365,81 2.445,82 49.872,83 15.163,84 177.712,85 20.12,86 0.823,87 2.049,88 38.62,89 12.522,90 108.005,91 17.122,92 0.672,93 2.225,94 34.888,95 12.531,96 95.465,97 16.227,98 1.534,99 2.61,100 43.389,101 12.805,102 241.695,103 16.435,104 18,105 57,106 0.257,107 0.6,108 0.795,109 0.867,110 0.887,111 0.892,112 3.615,113 0.906,114 -6.01,115 -5.86,116 -5.46,119 40.6,121 3,125 4,127 2,131 1,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 4,176 5,178 11,182 3,186 5,189 8,193 6,195 1,197 3,199 5,203 6,206 1,208 1,211 5,215 5,218 1,220 1,222 4,226 5,229 2,231 1,233 2,236 1,237 5,242 2,244 2,249 1,254 1,256 4,259 2496,260 24.264,261 24.264,262 24.264,263 24.264,264 24.264,265 21.863,266 28.944,267 14.221,268 24.955,269 19.769,270 19.769,271 19.769,272 19.769,273 19.769,274 16.162,275 35.206,276 6.744,277 20.998,278 4.38,279 2.225,280 0.999,281 0.543,282 0.418,283 0.387,284 4.32,290 1209,291 4,294 197.224,295 372.625,298 168.947,302 2.5,303 51.701,306 0.5,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.72,314 81,315 550,316 4.568,317 4.471,318 7.247,319 4.256,320 3.375,321 4.518,322 3.825,323 12.232,324 3.062,325 4.535,326 3.233,327 6.566,328 4.099,329 3.118,330 3.993,331 0.8,332 10.431,333 3.025,334 4.129,335 3.195,336 6.095,337 3.812,338 2.872,339 3.731,340 0.657,341 8.884,342 2.689,343 3.874,344 2.884,345 6.072,346 3.689,347 2.752,348 2.894,350 8.777,351 2.577,352 3.649,353 2.827,354 5.587,355 3.336,356 2.419,357 2.833,359 7.344,360 2.163,361 3.437,362 2.611,363 5.254,364 3.184,365 2.254,366 2.808,368 6.635,369 2.084,370 3.27,371 2.181,372 5.125,373 2.997,374 2.022,375 2.592,377 5.998,378 1.958,379 3.232,380 2.007,381 4.514,382 2.73,383 1.776,384 2.271,386 4.655,387 1.69,388 2.921,389 1.795,390 4.248,391 2.533,392 1.571,393 2.079,395 3.906,396 1.512,397 2.742,398 1.61,399 4.134,400 2.373,401 1.414,402 1.847,404 3.479,405 1.337,406 2.585,407 1.369,408 4.106,409 2.312,410 1.328,411 1.618,413 3.453,414 1.305,415 2.482,416 1.337,417 3.618,418 2.12,419 1.159,420 1.481,422 2.827,423 1.096,424 2.426,425 1.17,426 3.483,427 2.093,428 1.128,429 1.4,431 2.549,432 1.085,433 2.26,434 0.972,435 3.324,436 1.867,437 0.903,438 1.203,440 2.109,441 0.868,442 2.118,443 0.888,444 3.234,445 1.696,446 0.747,447 0.927,449 1.742,450 0.706,451 16.543,452 0.46,453 0.963,454 0.027,455 42,456 1.167,457 18,458 0.5,459 24,460 0.667,461 34.901,462 0.969,463 40.457,464 0.632,465 34.45,466 0.957,467 8.395,468 0.233,469 8.987,470 0.25,471 0.069,472 0.03,473 0.29,474 1,476 3,479 0.579,480 1.086,481 0.695,482 1.116,483 0.54,484 0.986,485 0.598,486 0.843,487 0.851,488 0.98,489 0.455,490 0.984,491 0.654,492 0.9,493 0.915,494 1.091,495 0.595,496 1.092,497 0.848,498 1.049,499 0.982,500 1.154,501 0.807,502 1.127,503 1.11,504 0.903,505 1.059,506 0.895,507 1.165,508 0.949,509 0.85,510 0.835,511 0.926,512 0.878,513 0.801,514 0.91,515 0.907,516 1.118,517 0.999,518 1.193,519 0.923,520 1.149,521 1.113,522 1.001,523 1.103,524 0.99,525 1.096,526 1.025,527 7.5,528 0.144,529 4.667,530 2.319,531 1.597,532 1.229,533 0.691,534 0.53,535 0.337,536 0.3,537 23716,538 73354,539 2.113,540 43.8,541 2,542 17,543 1,544 2,545 2,547 2,548 2,550 1.767,551 1.991,552 3.843,553 0.204,559 103.673,560 1.62,561 3.775,562 5.001,563 5.457,564 5.582,565 5.613,566 3.256,567 4.871,568 5.145,569 4.12,570 2595.61,571 9,572 44768.3,577 384,578 1.463,579 5.103,580 0.188,581 0.005,582 0.082,583 0.042,584 0.031,585 0.028,586 0.016,587 0.012,588 0.008,589 0.01,590 0.421,591 0.17,592 0.63,593 0.639,594 201.758,595 -0.018,596 -0.095,597 0.043,598 -0.036,599 -0.049,600 0.008,601 0.232,602 0.187,603 0.011,604 0.038,605 0.321,606 -0.021,607 0.016,608 -0.041,609 -0.027,610 -0.078,611 0.03,612 -0.071,613 -0.039,614 -0.164,615 -0.031,616 -0.154,617 -0.008,618 -0.107,619 -0.054,620 0.054,621 -0.01,622 0.08,623 -0.077,624 0.055,625 -0.063,626 0.001,627 0.043,628 0.094,629 -0.049,630 0.105,631 -0.048,632 -0.178,633 -0.055,634 -0.186,635 -0.067,636 -0.143,637 0.085,638 0.047,639 -0.039,640 -0.028,641 0.139,642 -0.057,643 5.667,644 6.879,645 0.722,646 44.852,647 1.018,648 1.152,649 4.783,650 22.875,651 0.651,652 3.714,653 4.06,654 4.317,655 4.564,656 4.71,657 4.787,658 4.913,659 5.024,660 5.081,661 5.176,662 9.335,663 0.633,664 500.6,665 3.714,666 5.273,667 6.125,668 7.009,669 7.874,670 8.76,671 9.63,672 10.516,673 11.389,674 12.275,675 9.4,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 64,716 21,717 2,718 40,720 68,721 26,722 16,723 5,724 7,730 5,731 6,736 1,740 3,742 1,743 5,745 16,746 10,748 1,762 4,764 28,765 8,766 2,767 10,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,825 4,827 36,833 7,834 1,837 2,838 1,839 1,844 1,846 4,854 18.083,855 11.121,856 7.722,857 3.888,858 3.741,859 1.441,860 1.015,861 7.314,862 12.217,863 3.942,864 4.533,865 5.11,866 5.682,867 6.101,868 6.43,869 6.854,870 7.24,871 7.433,872 7.656,873 0.9,874 55,875 13.87,877 6.486,878 8.039,879 25.309,881 21.442,883 2.539,884 91.417,888 306.049,889 135.614,890 73.146,893 59.84,895 135.614,896 306.049,897 132.986,899 18.206,900 93.392,901 74.105,902 81.576,903 28.875,904 270.735,905 7.76,906 306.049,907 208.76,908 59.84,911 273.924,912 91.965,915 83.022,916 92.412,917 33.326,919 365.889,920 73.146,921 135.614,924 315.987,925 33.057,926 97.642,927 34.796,928 93.166,929 306.049,930 132.986,931 135.614,933 0.589,934 0.339,935 0.181,936 0.089,937 28,938 12,939 0.118,940 8,941 1,942 1.077,943 4.802,944 336.384,945 0.077,946 26,947 177.362,951 24.796,952 10.618,953 5.766,954 2.205,955 114.302,956 16.946,957 7.723,958 3.31,961 1.667,962 1.859,963 34.796,964 574.649,965 50.5,975 65.148,976 73.746,977 0.27,978 0.629,979 0.834,980 0.909,981 0.93,982 0.936,983 5.2,984 1.776,985 6.133,986 5.998,987 4.745,988 5.22,989 3.121,990 6.971,991 4.63,992 6.403,993 1.571,994 7.714,995 4.655,996 4.443,997 5.017,998 3.911,999 8.078,1000 4.175,1001 7.715,1002 1.414,1003 9.405,1004 3.906,1005 6.402,1006 7.405,1007 5.424,1008 11.115,1009 6.163,1010 9.065,1011 1.328,1012 11.166,1013 3.479,1014 6.938,1015 8.086,1016 6.69,1017 13.058,1018 6.549,1019 10.452,1020 1.159,1021 12.972,1022 3.453,1023 8.382,1024 9.936,1025 8.058,1026 15.674,1027 7.997,1028 11.864,1029 1.128,1030 14.809,1031 2.827,1032 9.279,1033 11.032,1034 9.389,1035 17.935,1036 8.766,1037 13.295,1038 0.903,1039 16.67,1040 2.549,1041 10.541,1042 12.665,1043 10.734,1044 20.438,1045 10.001,1046 3.375,1047 0.747,1048 18.549,1049 2.109,1050 11.595,1051 13.963,1052 12.074,1053 22.827,1054 10.948,1055 3.118,1056 12.232,1057 20.442,1058 1.742,1059 12.795,1060 15.505,1061 13.416,1062 25.306,1063 12.098,1064 2.872,1065 10.431,1066 22.347,1067 4.518,1068 13.92,1069 16.9,1070 14.758,1071 27.749,1072 13.127,1073 2.752,1074 8.884,1075 24.261,1076 3.993,1077 15.102,1078 18.407,1079 16.1,1080 30.228,1081 14.245,1082 2.419,1083 8.777,1084 26.184,1085 3.731,1086 16.26,1087 19.85,1088 17.441,1089 32.697,1090 15.313,1091 2.254,1092 7.344,1093 28.114,1094 2.894,1095 17.441,1096 21.344,1097 18.783,1098 35.18,1099 16.419,1100 2.022,1101 6.635,1102 30.051,1103 2.833,1104 18.616,1105 22.812,1106 20.124,1107 37.663,1108 17.506,1109 21971,1110 38878,1111 26.929,1112 41.682,1113 61.181,1114 60.143,1115 60.634,1116 60.543,1117 60.236,1118 75.802,1119 10.565,1120 176.005,1121 56.694,1122 5.568,1123 6.471,1124 6.929,1125 5.315,1126 5.375,1127 7.518,1128 5.335,1129 19.718,1130 5.062,1131 16.71,1132 1.53,1133 1.504,1134 1.516,1135 1.514,1136 1.506,1137 1.895,1138 0.264,1139 4.4,1140 1.417,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 8.513,1146 4.07,1147 3.974,1148 4.014,1149 3.922,1150 3.888,1151 8.19,1152 3.889,1153 3.863,1154 3.921,1155 3.791,1156 3.703,1157 7.999,1158 3.709,1159 3.823,1160 3.895,1161 3.761,1162 3.585,1163 7.999,1164 3.623,1165 3.547,1166 3.618,1167 3.41,1168 3.39,1169 5.135,1170 3.388,1171 3.33,1172 3.402,1173 3.328,1174 3.146,1175 4.927,1176 3.154,1177 3.312,1178 3.362,1179 3.214,1180 3.055,1181 4.706,1182 3.072,1183 3.228,1184 3.309,1185 3.081,1186 2.997,1187 4.336,1188 3.031,1189 0.114,1190 0.112,1191 0.181,1192 0.106,1193 0.084,1194 4.568,1195 0.113,1196 4.471,1197 0.096,1198 7.247,1199 0.306,1200 4.256,1201 0.077,1202 3.375,1203 4.518,1204 3.825,1205 12.232,1206 3.062,1207 1.961,1208 1.936,1209 2.066,1210 2.07,1211 1.407,1212 2.071,1213 1.934,1214 1.906,1215 2.039,1216 2.048,1217 1.274,1218 2.045,1219 1.828,1220 1.77,1221 1.996,1222 1.992,1223 1.176,1224 1.995,1225 1.661,1226 1.606,1227 1.866,1228 1.83,1229 1.112,1230 1.845,1231 1.412,1232 1.339,1233 1.6,1234 1.671,1235 0.785,1236 1.651,1237 1.346,1238 1.279,1239 1.523,1240 1.572,1241 0.762,1242 1.566,1243 1.217,1244 1.143,1245 1.477,1246 1.445,1247 0.664,1248 1.461,1249 1.135,1250 1.053,1251 1.455,1252 1.442,1253 0.58,1254 1.41,1255 4.394,1257 5.733,1258 3.045,1259 7.253,1260 5.283,1261 8.858,1262 7.286,1263 10.507,1267 54.527,1271 4.058,1272 3.019,1275 -1.58,1276 2.101,1277 -4.417,1280 40.51,1281 103.673,1282 241.619,1283 320.084,1284 349.245,1285 357.245,1286 359.245,1287 81.44,1288 8.476,1289 61.77,1290 61.77,1291 28,1292 12.809,1293 4.459,1294 3.524,1295 54.946,1296 207,1297 161,1298 0.127,1299 242.416,1300 419.48,1301 583.256,1302 73853,1303 6.3,1304 25.123,1305 0.698,1306 0.547,1307 21.753,1308 19.679,1309 17.381,1310 0.435,1311 0.302,1312 11.851,1313 16.499,1314 11.717,1315 9.583,1316 15.759,1317 12.082,1318 16.321,1319 0.286,1320 0.163,1321 13.796,1322 9.264,1323 13.241,1324 0.179,1325 0.093,1326 12.057,1327 6.891,1328 11.147,1329 0.117,1330 0.052,1331 9.845,1332 4.954,1333 8.313,1334 0.076,1335 0.03,1336 7.503,1337 3.351,1338 0.208,1339 110.499,1340 0.193,1341 33.821,1342 0.323,1343 194,1344 747.691,1345 225.672,1346 617.905,1347 812.3,1348 576,1349 228,1350 570.772,1351 254.79,1352 554.584,1353 829.87,1354 521,1355 8.301} {0 CHEMBL2114039,1 1.602,2 15.27,3 5.124,4 26.259,5 138.331,6 7.681,7 0.512,8 4.313,9 4.445,10 3.9,11 3.808,12 5.399,13 3.803,14 4.911,15 5.103,16 4.326,17 4.234,18 6.302,19 4.213,20 5.154,21 5.375,22 4.317,23 4.414,24 6.182,25 4.337,26 5.325,27 5.577,28 4.337,29 4.454,30 6.366,31 4.361,32 5.382,33 5.662,34 4.215,35 4.389,36 6.446,37 4.279,38 5.221,39 5.499,40 4.177,41 4.308,42 6.179,43 4.212,44 5.182,45 5.427,46 4.186,47 4.266,48 6.298,49 4.193,50 5.202,51 5.477,52 4.133,53 4.166,54 6.525,55 4.081,56 0.126,57 1.316,58 13.193,59 6.151,60 24.9,61 7.852,62 1.005,63 2.444,64 28.858,65 10.237,66 151.96,67 13.402,68 0.65,69 2.496,70 37.496,71 14.274,72 65.802,73 19.276,74 0.769,75 2.824,76 47.67,77 17.04,78 101.715,79 22.877,80 1.433,81 2.734,82 55.634,83 17.304,84 181.714,85 22.968,86 0.811,87 2.353,88 45.02,89 14.592,90 100.616,91 20.508,92 0.942,93 2.527,94 42.56,95 14.38,96 140.411,97 17.982,98 1.53,99 2.697,100 46.576,101 13.726,102 242.333,103 18.065,104 27,105 59,106 0.252,107 0.581,108 0.794,109 0.863,110 0.881,111 0.886,112 3.642,113 0.912,114 -6.21,115 -6.05,116 -5.62,119 40.3,121 3,124 1,125 4,127 2,131 1,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 3,178 11,182 5,186 3,189 8,192 1,193 8,197 1,199 5,203 7,206 1,211 5,215 6,218 1,222 4,226 6,229 2,233 2,236 1,237 6,242 1,244 2,249 2,256 4,259 2642,260 24.764,261 24.764,262 24.764,263 24.764,264 24.764,265 22.363,266 29.459,267 14.432,268 25.498,269 20.253,270 20.253,271 20.253,272 20.253,273 20.253,274 16.656,275 35.484,276 6.836,277 21.549,278 4.464,279 2.374,280 1.025,281 0.59,282 0.47,283 0.44,284 4.344,290 1238,291 4.243,294 204.613,295 385.572,298 175.551,302 2.44,303 52.133,306 0.5,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.72,314 83,315 565,316 4.568,317 4.471,318 7.248,319 4.261,320 3.378,321 4.518,322 3.825,323 12.242,324 3.062,325 4.538,326 3.347,327 6.566,328 4.099,329 3.118,330 3.996,331 0.916,332 10.431,333 3.037,334 4.129,335 3.196,336 6.41,337 3.927,338 2.992,339 3.731,340 0.8,341 9.742,342 2.784,343 3.995,344 2.906,345 6.095,346 3.689,347 2.752,348 3.005,349 0.172,350 8.884,351 2.577,352 3.656,353 2.88,354 5.622,355 3.4,356 2.486,357 2.838,359 7.5,360 2.241,361 3.445,362 2.643,363 5.349,364 3.221,365 2.297,366 2.811,368 6.876,369 2.089,370 3.356,371 2.321,372 5.128,373 3.01,374 2.033,375 2.593,377 6.003,378 1.976,379 3.246,380 2.179,381 4.741,382 2.734,383 1.791,384 2.391,386 4.84,387 1.692,388 2.952,389 1.795,390 4.514,391 2.697,392 1.766,393 2.086,395 4.654,396 1.629,397 2.747,398 1.611,399 4.149,400 2.412,401 1.432,402 1.85,404 3.496,405 1.393,406 2.694,407 1.383,408 4.132,409 2.314,410 1.331,411 1.715,413 3.476,414 1.305,415 2.582,416 1.339,417 3.806,418 2.154,419 1.19,420 1.614,422 2.855,423 1.142,424 2.426,425 1.27,426 3.599,427 2.114,428 1.149,429 1.4,431 2.798,432 1.092,433 2.276,434 1.124,435 3.47,436 2.02,437 1.057,438 1.24,440 2.466,441 1.015,442 2.162,443 0.922,444 3.317,445 1.851,446 0.885,447 1.118,449 2.086,450 0.853,451 17.043,452 0.461,453 1.052,454 0.028,455 42.75,456 1.155,457 18,458 0.486,459 24.75,460 0.669,461 37.472,462 1.013,463 41.757,464 0.623,465 36.06,466 0.975,467 8.572,468 0.232,469 9.22,470 0.249,471 0.096,472 0.029,473 0.305,474 1,476 3,479 0.569,480 1.134,481 0.703,482 1.166,483 0.536,484 1.024,485 0.623,486 0.813,487 0.84,488 0.909,489 0.448,490 0.92,491 0.658,492 0.926,493 0.94,494 1.128,495 0.602,496 1.127,497 0.796,498 1.04,499 0.942,500 1.149,501 0.75,502 1.11,503 1.139,504 0.932,505 1.092,506 0.937,507 1.223,508 0.992,509 0.752,510 0.85,511 0.846,512 0.901,513 0.678,514 0.899,515 1.258,516 1.19,517 1.168,518 1.148,519 1.324,520 1.141,521 1.076,522 0.979,523 1.066,524 0.971,525 1.062,526 1.001,527 8,528 0.174,529 4.889,530 2.819,531 1.797,532 1.542,533 0.771,534 0.562,535 0.337,536 0.32,537 24833,538 75267,539 2.093,540 44.8,541 2,542 20,543 1,544 2,545 1,547 2,548 2,550 1.775,551 1.956,552 3.849,553 -0.338,559 107.33,560 1.602,561 3.692,562 5.041,563 5.476,564 5.596,565 5.626,566 3.25,567 4.682,568 5.185,569 4.115,570 2740.37,571 9.084,572 47628.9,577 406.428,578 1.531,579 5.134,580 0.195,581 0.006,582 0.083,583 0.049,584 0.032,585 0.032,586 0.016,587 0.012,588 0.008,589 0.01,590 0.442,591 0.33,592 0.63,593 0.672,594 208.296,595 -0.007,596 -0.132,597 0.052,598 -0.072,599 -0.047,600 -0.013,601 0.223,602 0.216,603 0.042,604 0.101,605 0.327,606 0.043,607 0.01,608 -0.04,609 -0.063,610 -0.099,611 0.02,612 -0.104,613 -0.019,614 -0.163,616 -0.142,617 0.015,618 -0.086,619 -0.065,620 0.05,621 -0.054,622 0.046,623 -0.107,624 0.009,625 -0.015,626 -0.052,627 0.118,628 0.063,629 0.012,630 0.118,631 -0.142,632 -0.117,633 -0.163,634 -0.137,635 -0.159,636 -0.153,637 0.099,638 0.049,639 -0.007,640 -0.012,641 0.149,642 -0.03,643 5.668,644 7.151,645 0.703,646 45.714,647 1.015,648 1.152,649 4.978,650 24.783,651 0.648,652 3.738,653 4.094,654 4.357,655 4.615,656 4.754,657 4.86,658 4.956,659 5.056,660 5.1,661 5.215,662 9.294,663 0.627,664 514.63,665 3.738,666 5.303,667 6.159,668 7.05,669 7.919,670 8.812,671 9.685,672 10.578,673 11.453,674 12.347,675 9,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 67,716 21,717 2,718 41,720 71,721 27,722 16,723 5,724 7,730 5,731 6,736 1,740 3,742 1,743 5,745 16,746 11,748 1,762 4,764 30,765 8,766 1,767 10,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 4,827 37,833 7,837 2,838 2,839 1,844 1,846 4,854 18.917,855 12.071,856 7.917,857 4.046,858 3.717,859 1.437,860 1.005,861 7.55,862 12.228,863 3.961,864 4.554,865 5.128,866 5.703,867 6.119,868 6.454,869 6.869,870 7.253,871 7.439,872 7.67,873 0.9,874 58,875 14.254,877 6.633,878 8.011,879 26.09,881 22.067,883 2.511,884 92.917,888 341.362,889 144.011,890 58.259,893 59.84,895 144.011,896 341.362,897 118.1,898 8.396,899 18.206,900 75.381,901 74.105,902 84.7,903 28.875,904 306.049,905 7.76,906 341.362,907 202.27,908 59.84,911 309.238,912 91.965,915 68.136,916 100.808,917 33.326,919 401.202,920 58.259,921 144.011,924 351.301,925 33.057,926 109.162,927 16.786,928 93.166,929 341.362,930 118.1,931 144.011,933 0.592,934 0.342,935 0.185,936 0.09,937 29,938 13,939 0.113,940 8,941 1,942 1.077,943 4.812,944 353.034,945 0.077,946 26,947 183.995,951 25.753,952 10.847,953 5.837,954 2.209,955 99.415,956 17.051,957 7.735,958 3.318,961 1.724,962 1.862,963 16.786,964 603.472,965 51.5,975 68.032,976 77.161,977 0.264,978 0.609,979 0.831,980 0.903,981 0.922,982 0.927,983 5.227,984 1.791,985 6.176,986 6.003,987 4.779,988 5.242,989 3.149,990 7.026,991 4.661,992 6.434,993 1.766,994 7.765,995 4.84,996 4.511,997 5.056,998 3.919,999 8.143,1000 4.24,1001 7.749,1002 1.432,1003 9.464,1004 4.654,1005 6.447,1006 7.422,1007 5.427,1008 11.191,1009 6.202,1010 9.101,1011 1.331,1012 11.231,1013 3.496,1014 7.004,1015 8.107,1016 6.691,1017 13.13,1018 6.611,1019 10.488,1020 1.19,1021 13.041,1022 3.476,1023 8.438,1024 9.948,1025 8.058,1026 15.753,1027 8.047,1028 11.9,1029 1.149,1030 14.882,1031 2.855,1032 9.346,1033 11.045,1034 9.389,1035 18.005,1036 8.83,1037 13.331,1038 1.057,1039 16.745,1040 2.798,1041 10.604,1042 12.673,1043 10.734,1044 20.509,1045 10.06,1046 3.378,1047 0.885,1048 18.625,1049 2.466,1050 11.663,1051 13.97,1052 12.074,1053 22.889,1054 11.015,1055 3.118,1056 12.242,1057 20.518,1058 2.086,1059 12.861,1060 15.511,1061 13.416,1062 25.365,1063 12.163,1064 2.992,1065 10.431,1066 22.422,1067 4.518,1068 13.988,1069 16.905,1070 14.758,1071 27.801,1072 13.197,1073 2.752,1074 9.742,1075 24.335,1076 3.996,1077 15.169,1078 18.411,1079 16.1,1080 30.275,1081 14.313,1082 2.486,1083 8.884,1084 26.256,1085 3.731,1086 16.326,1087 19.853,1088 17.441,1089 32.739,1090 15.384,1091 2.297,1092 7.5,1093 28.184,1094 3.005,1095 17.506,1096 21.347,1097 18.783,1098 35.218,1099 16.49,1100 2.033,1101 6.876,1102 30.117,1103 2.838,1104 18.679,1105 22.814,1106 20.124,1107 37.697,1108 17.578,1109 23080,1110 40414,1111 27.334,1112 43.444,1113 62.985,1114 61.695,1115 62.81,1116 62.225,1117 61.902,1118 77.454,1119 11.428,1120 182.767,1121 58.183,1122 5.568,1123 6.471,1124 6.928,1125 5.321,1126 5.378,1127 7.518,1128 5.335,1129 19.774,1130 5.062,1131 18.756,1132 1.536,1133 1.505,1134 1.532,1135 1.518,1136 1.51,1137 1.889,1138 0.279,1139 4.458,1140 1.419,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 8.513,1146 4.07,1147 3.982,1148 4.023,1149 3.928,1150 3.892,1151 8.19,1152 3.893,1153 3.866,1154 3.922,1155 3.792,1156 3.71,1157 7.999,1158 3.716,1159 3.824,1160 3.896,1161 3.768,1162 3.586,1163 7.999,1164 3.624,1165 3.566,1166 3.639,1167 3.431,1168 3.398,1169 5.135,1170 3.398,1171 3.39,1172 3.47,1173 3.329,1174 3.195,1175 4.927,1176 3.201,1177 3.315,1178 3.363,1179 3.253,1180 3.085,1181 4.702,1182 3.084,1183 3.258,1184 3.331,1185 3.127,1186 3.01,1187 4.332,1188 3.062,1189 0.111,1190 0.109,1191 0.177,1192 0.104,1193 0.082,1194 4.568,1195 0.11,1196 4.471,1197 0.093,1198 7.248,1199 0.299,1200 4.261,1201 0.075,1202 3.378,1203 4.518,1204 3.825,1205 12.242,1206 3.062,1207 1.961,1208 1.936,1209 2.071,1210 2.076,1211 1.419,1212 2.077,1213 1.938,1214 1.91,1215 2.04,1216 2.049,1217 1.28,1218 2.046,1219 1.832,1220 1.775,1221 1.997,1222 1.992,1223 1.182,1224 1.995,1225 1.665,1226 1.61,1227 1.871,1228 1.836,1229 1.112,1230 1.851,1231 1.43,1232 1.353,1233 1.674,1234 1.687,1235 0.83,1236 1.68,1237 1.383,1238 1.312,1239 1.571,1240 1.628,1241 0.776,1242 1.619,1243 1.269,1244 1.194,1245 1.484,1246 1.481,1247 0.705,1248 1.496,1249 1.135,1250 1.063,1251 1.459,1252 1.442,1253 0.58,1254 1.41,1255 4.419,1257 5.765,1258 3.045,1259 7.292,1260 5.283,1261 8.904,1262 7.286,1263 10.56,1265 1.713,1267 55.207,1271 4.182,1275 -1.515,1276 3.849,1277 -4.418,1280 42.037,1281 107.33,1282 247.337,1283 337.757,1284 366.918,1285 374.918,1286 376.918,1287 86.333,1288 8.511,1289 52.98,1290 52.98,1291 28,1292 12.877,1293 4.459,1294 3.524,1295 57.216,1296 212,1297 171,1298 0.129,1299 252.009,1300 436.78,1301 606.661,1302 76107,1303 6,1304 25.993,1305 0.703,1306 0.557,1307 22.623,1308 20.626,1309 17.792,1310 0.434,1311 0.304,1312 12.217,1313 16.873,1314 12.013,1315 9.855,1316 16.17,1317 12.462,1318 16.86,1319 0.286,1320 0.165,1321 14.326,1322 9.759,1323 13.627,1324 0.177,1325 0.095,1326 12.516,1327 7.288,1328 11.685,1329 0.117,1330 0.053,1331 10.223,1332 5.337,1333 8.474,1334 0.074,1335 0.031,1336 7.788,1337 3.519,1338 0.212,1339 113.168,1340 0.191,1341 34.442,1342 0.332,1343 200,1344 759.003,1345 232.033,1346 628.942,1347 827.02,1348 586,1349 236,1350 581.476,1351 263.623,1352 567.419,1353 847.92,1354 531,1355 7.886} {0 CHEMBL2114040,1 1.448,2 14.848,3 4.182,4 17.49,5 132.357,6 6.979,7 0.568,8 4.252,9 4.392,10 3.778,11 3.773,12 5.26,13 3.742,14 4.828,15 5.031,16 4.12,17 4.198,18 5.753,19 4.141,20 5.101,21 5.335,22 4.138,23 4.364,24 5.983,25 4.251,26 5.236,27 5.506,28 4.087,29 4.391,30 6.053,31 4.248,32 5.254,33 5.542,34 3.987,35 4.332,36 6.086,37 4.176,38 5.147,39 5.442,40 3.973,41 4.246,42 5.944,43 4.108,44 5.028,45 5.285,46 3.934,47 4.186,48 5.935,49 4.057,50 5.036,51 5.333,52 3.756,53 4.092,54 5.844,55 3.935,56 0.063,57 1.065,58 14.348,59 5.724,60 12.307,61 8.121,62 0.287,63 1.75,64 27.545,65 9.473,66 24.468,67 13.743,68 0.441,69 2.156,70 37.349,71 13.501,72 41.19,73 19.447,74 0.372,75 2.281,76 43.725,77 15.726,78 44.805,79 22.757,80 0.51,81 2.278,82 46.081,83 15.975,84 67.963,85 22.708,86 0.416,87 2.005,88 40.955,89 13.639,90 47.443,91 20.291,92 0.346,93 1.925,94 35.497,95 12.562,96 49.139,97 17.888,98 0.401,99 1.778,100 36.856,101 11.964,102 47.2,103 17.829,104 5,105 51,106 0.23,107 0.562,108 0.777,109 0.855,110 0.872,111 0.872,112 3.531,113 0.951,114 -5.45,115 -5.33,116 -4.97,119 40.6,121 3,124 1,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 3,178 11,182 5,186 3,189 8,192 1,193 8,197 1,199 5,203 7,206 1,211 5,215 6,218 1,222 4,226 6,229 2,233 2,236 1,237 6,242 1,244 2,249 2,256 4,259 1942,260 22.792,261 22.792,262 22.792,263 22.792,264 22.792,265 20.353,266 26.572,267 13.6,268 23.275,269 18.297,270 18.297,271 18.297,272 18.297,273 18.297,274 14.725,275 32.92,276 6.484,277 19.112,278 4.552,279 2.461,280 1.11,281 0.617,282 0.512,283 0.512,284 4.241,289 1,290 1092,291 3.391,294 178.505,295 340.439,298 152.368,302 2.296,303 21.969,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 70.5,315 490,316 4.568,317 3.347,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.196,327 6.411,328 3.943,329 3.003,330 3.731,331 0.8,332 9.751,333 2.818,334 4.041,335 2.889,336 6.095,337 3.689,338 2.752,339 3.46,340 0.172,341 8.884,342 2.577,343 3.846,344 2.865,345 5.463,346 3.526,347 2.553,348 2.969,350 7.294,351 2.493,352 3.447,353 2.608,354 5.285,355 3.262,356 2.323,357 2.812,359 6.744,360 2.17,361 3.361,362 2.276,363 5.127,364 3.011,365 2.033,366 2.593,368 6.002,369 1.981,370 3.246,371 2.178,372 4.679,373 2.735,374 1.788,375 2.393,377 4.715,378 1.693,379 2.952,380 1.795,381 4.514,382 2.697,383 1.764,384 2.086,386 4.654,387 1.634,388 2.747,389 1.575,390 4.133,391 2.412,392 1.432,393 1.85,395 3.478,396 1.393,397 2.691,398 1.382,399 3.878,400 2.314,401 1.331,402 1.711,404 3.227,405 1.305,406 2.5,407 1.28,408 3.54,409 2.149,410 1.18,411 1.5,413 2.766,414 1.14,415 2.426,416 1.125,417 3.464,418 2.021,419 1.059,420 1.4,422 2.462,423 1.016,424 2.276,425 1,426 3.316,427 2,428 1,429 1.239,431 2.136,432 1,433 2.159,434 0.922,435 3.247,436 1.851,437 0.885,438 1.116,440 2.086,441 0.853,442 2.118,443 0.656,444 3.177,445 1.55,446 0.618,447 0.927,449 1.443,450 0.565,451 15.686,452 0.475,453 0.674,454 0.02,455 40,456 1.212,457 18,458 0.545,459 22,460 0.667,461 30.937,462 0.937,463 35.914,464 0.561,465 28.943,466 0.877,467 7.876,468 0.239,469 8.293,470 0.251,471 0.05,473 0.3,474 1,479 0.689,480 1.312,481 0.82,482 1.158,483 0.545,484 1.033,485 1.096,486 1.026,487 1.002,488 0.944,489 0.83,490 0.947,491 0.987,492 1.057,493 1.091,494 1.123,495 1.061,496 1.126,497 0.921,498 1.052,499 1.004,500 1.084,501 0.93,502 1.065,503 1.322,504 1.071,505 1.047,506 1.005,507 1.644,508 1.003,509 0.946,510 0.884,511 0.876,512 0.851,513 0.863,514 0.851,515 1.16,516 1.205,517 1.091,518 1.172,519 1.323,520 1.14,521 1.07,522 0.94,523 1.013,524 0.943,525 1.037,526 0.963,527 5.5,528 0.124,529 3.556,530 1.882,531 1.388,532 1.076,533 0.527,534 0.327,535 0.247,536 0.213,537 18953,538 43835,539 2.168,540 48.4,541 2,542 21,543 1,544 2,545 1,547 2,548 2,550 1.746,551 2.084,552 3.837,553 -0.382,559 92.699,560 1.448,561 3.539,562 4.89,563 5.383,564 5.488,565 5.488,566 3.283,567 4.741,568 5.017,569 4.035,570 2130.48,571 8.75,572 33904.8,574 1,577 384,578 1.182,579 4.999,580 0.149,581 0.005,582 0.07,583 0.038,584 0.031,585 0.027,586 0.013,587 0.009,588 0.008,589 0.008,590 0.356,591 0.33,592 0.75,593 0.398,594 179.523,595 0.053,596 -0.175,597 0.079,598 -0.076,599 0.019,600 -0.012,601 -0.093,602 0.079,603 -0.043,604 0.058,605 -0.045,606 0.025,607 0.02,608 0.008,609 -0.124,610 -0.096,611 -0.025,612 -0.125,613 -0.014,614 -0.092,615 -0.03,616 -0.079,617 0.01,618 -0.062,619 -0.08,620 -0.023,621 -0.027,622 -0.004,623 -0.126,624 -0.01,625 -0.008,626 0.03,627 0.118,628 0.115,629 0.041,630 0.133,631 -0.028,632 -0.147,633 -0.097,634 -0.165,635 -0.044,636 -0.148,637 -0.054,638 -0.009,639 -0.009,640 0.01,641 -0.022,642 0.009,643 2.146,644 7.038,645 0.788,646 39.28,647 0.994,648 1.136,649 4.216,650 17.777,651 0.654,652 3.638,653 3.951,654 4.234,655 4.489,656 4.635,657 4.727,658 4.836,659 4.956,660 5.004,661 5.075,662 8.668,663 0.615,664 446.63,665 3.638,666 5.176,667 6.028,668 6.899,669 7.763,670 8.638,671 9.507,672 10.386,673 11.258,674 12.139,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 37,720 68,721 26,722 16,723 4,724 8,730 5,731 6,740 3,743 5,745 16,746 10,748 1,762 1,764 31,765 5,766 1,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 1,827 33,833 7,837 2,838 2,844 1,846 1,854 15.833,855 11.476,856 7.222,857 3.925,858 3.502,859 1.426,860 1.01,861 6.748,862 11.718,863 3.882,864 4.454,865 5.035,866 5.611,867 6.032,868 6.359,869 6.797,870 7.219,871 7.407,872 7.63,873 0.9,874 49,875 12.269,877 5.242,878 7.561,879 24.068,881 20.326,883 2.061,884 68,888 353.133,889 142.542,890 58.259,893 14.96,895 142.542,896 353.133,897 73.219,898 8.396,899 18.206,900 84.857,901 74.105,902 36.634,903 28.875,904 317.82,906 353.133,907 200.801,908 14.96,911 321.009,912 47.084,915 60.376,916 107.099,917 33.326,919 368.093,920 58.259,921 142.542,924 355.312,925 29.871,926 118.639,927 16.786,928 48.286,929 353.133,930 73.219,931 142.542,933 0.578,934 0.34,935 0.186,936 0.091,937 25,938 10,939 0.118,940 8,941 1,942 1.077,943 4.643,944 298.785,945 0.077,946 26,947 156.465,951 22.121,952 10.066,953 5.126,954 2.36,955 54.535,956 22.183,957 7.798,958 3.375,961 3.588,962 1.913,963 16.786,964 568.894,965 47.5,975 63.61,976 72.727,977 0.241,978 0.59,979 0.815,980 0.897,981 0.915,982 0.915,983 5.113,984 1.764,985 5.994,986 4.715,987 4.635,988 5.142,989 1.242,990 6.783,991 4.55,992 6.288,993 1.432,994 7.535,995 4.654,996 4.111,997 4.783,998 0.57,999 7.627,1000 3.961,1001 7.571,1002 1.331,1003 9.178,1004 3.478,1005 6.205,1006 7.294,1007 0.883,1008 10.729,1009 6.039,1010 8.891,1011 1.18,1012 10.881,1013 3.227,1014 6.553,1015 7.877,1016 0.581,1017 12.433,1018 6.324,1019 10.248,1020 1.059,1021 12.625,1022 2.766,1023 8.059,1024 9.792,1025 0.68,1026 15.022,1027 7.817,1028 11.631,1029 1,1030 14.397,1031 2.462,1032 8.809,1033 10.836,1034 0.515,1035 17.072,1036 8.514,1037 13.035,1038 0.885,1039 16.189,1040 2.136,1041 10.078,1042 12.504,1043 0.541,1044 19.485,1045 9.765,1046 3.118,1047 0.618,1048 17.995,1049 2.086,1050 11.018,1051 13.781,1052 0.441,1053 21.683,1054 10.662,1055 3.003,1056 10.431,1057 19.812,1058 1.443,1059 12.188,1060 15.344,1061 0.438,1062 24.032,1063 11.812,1064 2.752,1065 9.751,1066 21.638,1067 4.518,1068 13.218,1069 16.736,1070 0.373,1071 26.296,1072 12.807,1073 2.553,1074 8.884,1075 23.471,1076 3.731,1077 14.35,1078 18.258,1079 0.358,1080 28.624,1081 13.918,1082 2.323,1083 7.294,1084 25.31,1085 3.46,1086 15.423,1087 19.707,1088 0.314,1089 30.917,1090 14.962,1091 2.033,1092 6.744,1093 27.153,1094 2.969,1095 16.541,1096 21.214,1097 0.296,1098 33.239,1099 16.059,1100 1.788,1101 6.002,1102 29.001,1103 2.812,1104 17.635,1105 22.69,1106 0.264,1107 35.548,1108 17.129,1109 17357,1110 26571,1111 25.542,1112 41.87,1113 55.839,1114 55.12,1115 55.69,1116 55.053,1117 54.976,1118 70.334,1119 3.778,1120 155.183,1121 52.621,1122 5.568,1123 5.347,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.147,1130 5.062,1131 10.762,1132 1.509,1133 1.49,1134 1.505,1135 1.488,1136 1.486,1137 1.901,1138 0.102,1139 4.194,1140 1.422,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 8.19,1146 4.07,1147 3.956,1148 4.007,1149 3.873,1150 3.864,1151 5.135,1152 3.859,1153 3.851,1154 3.911,1155 3.79,1156 3.707,1157 4.927,1158 3.711,1159 3.822,1160 3.887,1161 3.749,1162 3.586,1163 4.755,1164 3.624,1165 3.563,1166 3.636,1167 3.425,1168 3.398,1169 4.333,1170 3.398,1171 3.387,1172 3.467,1173 3.256,1174 3.195,1175 4.256,1176 3.2,1177 3.258,1178 3.331,1179 3.127,1180 3.084,1181 4.116,1182 3.082,1183 3.139,1184 3.225,1185 2.962,1186 2.939,1187 3.876,1188 2.925,1189 0.123,1190 0.09,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.347,1197 0.025,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.074,1210 2.072,1211 1.419,1212 2.076,1213 1.924,1214 1.89,1215 2.043,1216 2.048,1217 1.278,1218 2.046,1219 1.829,1220 1.772,1221 2,1222 1.974,1223 1.156,1224 1.988,1225 1.665,1226 1.609,1227 1.871,1228 1.834,1229 1.108,1230 1.85,1231 1.43,1232 1.353,1233 1.674,1234 1.686,1235 0.826,1236 1.679,1237 1.383,1238 1.311,1239 1.571,1240 1.626,1241 0.776,1242 1.619,1243 1.269,1244 1.194,1245 1.484,1246 1.481,1247 0.705,1248 1.496,1249 1.135,1250 1.052,1251 1.459,1252 1.442,1253 0.58,1254 1.41,1255 4.317,1257 5.631,1258 3.045,1259 7.132,1260 5.283,1261 8.718,1262 7.286,1263 10.35,1265 2.047,1267 15.038,1271 6.055,1275 -0.821,1276 4.464,1280 39.36,1281 92.699,1282 226.481,1283 312.98,1284 344.49,1285 351.245,1286 351.245,1287 52.555,1288 8.216,1289 52.98,1290 52.98,1291 28,1292 12.676,1293 4.459,1294 3.524,1295 48.235,1296 176,1297 160,1298 0.132,1299 238.822,1300 401.27,1301 574.485,1302 51877,1303 1.6,1304 22.623,1305 0.686,1306 0.578,1307 21.753,1308 19.069,1309 16.17,1310 0.437,1311 0.317,1312 11.56,1313 15.547,1314 11.304,1315 9.339,1316 15.759,1317 11.728,1318 14.347,1319 0.281,1320 0.178,1321 13.808,1322 9.09,1323 12.361,1324 0.182,1325 0.1,1326 11.982,1327 6.821,1328 10.526,1329 0.12,1330 0.057,1331 9.951,1332 5.005,1333 7.678,1334 0.075,1335 0.032,1336 7.517,1337 3.313,1338 0.215,1339 101.186,1340 0.198,1341 31.499,1342 0.338,1343 176,1344 474.67,1345 191.016,1346 440.659,1347 606.47,1348 416,1349 207,1350 446.476,1351 224.147,1352 451.959,1353 656.67,1354 424,1355 8.678} {0 CHEMBL2115111,1 1.62,2 15.278,3 4.589,4 21.054,5 133.036,6 7.822,7 0.525,8 4.273,9 4.405,10 3.873,11 3.774,12 5.372,13 3.773,14 4.866,15 5.049,16 4.297,17 4.199,18 6.287,19 4.179,20 5.119,21 5.347,22 4.27,23 4.353,24 6.167,25 4.278,26 5.239,27 5.489,28 4.253,29 4.354,30 6.306,31 4.268,32 5.265,33 5.548,34 4.127,35 4.262,36 6.363,37 4.161,38 5.073,39 5.342,40 4.055,41 4.185,42 6.037,43 4.097,44 5.041,45 5.276,46 4.141,47 4.185,48 6.114,49 4.117,50 5.139,51 5.408,52 4.11,53 4.11,54 6.503,55 4.037,56 0.147,57 1.28,58 12.244,59 5.84,60 26.521,61 7.304,62 0.979,63 2.382,64 26.598,65 9.928,66 152.986,67 12.675,68 0.701,69 2.384,70 36.454,71 13.572,72 74.207,73 18.335,74 0.81,75 2.603,76 43.65,77 15.389,78 106.045,79 20.393,80 1.365,81 2.445,82 49.872,83 15.163,84 177.712,85 20.12,86 0.823,87 2.049,88 38.62,89 12.522,90 108.005,91 17.122,92 0.672,93 2.225,94 34.888,95 12.531,96 95.465,97 16.227,98 1.534,99 2.61,100 43.389,101 12.805,102 241.695,103 16.435,104 18,105 57,106 0.257,107 0.6,108 0.795,109 0.867,110 0.887,111 0.892,112 3.615,113 0.906,114 -6.01,115 -5.86,116 -5.46,119 40.6,121 3,125 4,127 2,131 1,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 4,176 5,178 11,182 3,186 5,189 8,193 6,195 1,197 3,199 5,203 6,206 1,208 1,211 5,215 5,218 1,220 1,222 4,226 5,229 2,231 1,233 2,236 1,237 5,242 2,244 2,249 1,254 1,256 4,259 2496,260 24.264,261 24.264,262 24.264,263 24.264,264 24.264,265 21.863,266 28.944,267 14.221,268 24.955,269 19.769,270 19.769,271 19.769,272 19.769,273 19.769,274 16.162,275 35.206,276 6.744,277 20.998,278 4.38,279 2.225,280 0.999,281 0.543,282 0.418,283 0.387,284 4.32,290 1209,291 4,294 197.224,295 372.625,298 168.947,302 2.5,303 51.701,306 0.5,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.72,314 81,315 550,316 4.568,317 4.471,318 7.247,319 4.256,320 3.375,321 4.518,322 3.825,323 12.232,324 3.062,325 4.535,326 3.233,327 6.566,328 4.099,329 3.118,330 3.993,331 0.8,332 10.431,333 3.025,334 4.129,335 3.195,336 6.095,337 3.812,338 2.872,339 3.731,340 0.657,341 8.884,342 2.689,343 3.874,344 2.884,345 6.072,346 3.689,347 2.752,348 2.894,350 8.777,351 2.577,352 3.649,353 2.827,354 5.587,355 3.336,356 2.419,357 2.833,359 7.344,360 2.163,361 3.437,362 2.611,363 5.254,364 3.184,365 2.254,366 2.808,368 6.635,369 2.084,370 3.27,371 2.181,372 5.125,373 2.997,374 2.022,375 2.592,377 5.998,378 1.958,379 3.232,380 2.007,381 4.514,382 2.73,383 1.776,384 2.271,386 4.655,387 1.69,388 2.921,389 1.795,390 4.248,391 2.533,392 1.571,393 2.079,395 3.906,396 1.512,397 2.742,398 1.61,399 4.134,400 2.373,401 1.414,402 1.847,404 3.479,405 1.337,406 2.585,407 1.369,408 4.106,409 2.312,410 1.328,411 1.618,413 3.453,414 1.305,415 2.482,416 1.337,417 3.618,418 2.12,419 1.159,420 1.481,422 2.827,423 1.096,424 2.426,425 1.17,426 3.483,427 2.093,428 1.128,429 1.4,431 2.549,432 1.085,433 2.26,434 0.972,435 3.324,436 1.867,437 0.903,438 1.203,440 2.109,441 0.868,442 2.118,443 0.888,444 3.234,445 1.696,446 0.747,447 0.927,449 1.742,450 0.706,451 16.543,452 0.46,453 0.963,454 0.027,455 42,456 1.167,457 18,458 0.5,459 24,460 0.667,461 34.901,462 0.969,463 40.457,464 0.632,465 34.45,466 0.957,467 8.395,468 0.233,469 8.987,470 0.25,471 0.069,472 0.03,473 0.29,474 1,476 3,479 0.579,480 1.086,481 0.695,482 1.116,483 0.54,484 0.986,485 0.598,486 0.843,487 0.851,488 0.98,489 0.455,490 0.984,491 0.654,492 0.9,493 0.915,494 1.091,495 0.595,496 1.092,497 0.848,498 1.049,499 0.982,500 1.154,501 0.807,502 1.127,503 1.11,504 0.903,505 1.059,506 0.895,507 1.165,508 0.949,509 0.85,510 0.835,511 0.926,512 0.878,513 0.801,514 0.91,515 0.907,516 1.118,517 0.999,518 1.193,519 0.923,520 1.149,521 1.113,522 1.001,523 1.103,524 0.99,525 1.096,526 1.025,527 7.5,528 0.144,529 4.667,530 2.319,531 1.597,532 1.229,533 0.691,534 0.53,535 0.337,536 0.3,537 23716,538 73354,539 2.113,540 43.8,541 2,542 17,543 1,544 2,545 2,547 2,548 2,550 1.767,551 1.991,552 3.843,553 0.204,559 103.673,560 1.62,561 3.775,562 5.001,563 5.457,564 5.582,565 5.613,566 3.256,567 4.871,568 5.145,569 4.12,570 2595.61,571 9,572 44768.3,577 384,578 1.463,579 5.103,580 0.188,581 0.005,582 0.082,583 0.042,584 0.031,585 0.028,586 0.016,587 0.012,588 0.008,589 0.01,590 0.421,591 0.17,592 0.63,593 0.639,594 201.758,595 -0.018,596 -0.095,597 0.043,598 -0.036,599 -0.049,600 0.008,601 0.232,602 0.187,603 0.011,604 0.038,605 0.321,606 -0.021,607 0.016,608 -0.041,609 -0.027,610 -0.078,611 0.03,612 -0.071,613 -0.039,614 -0.164,615 -0.031,616 -0.154,617 -0.008,618 -0.107,619 -0.054,620 0.054,621 -0.01,622 0.08,623 -0.077,624 0.055,625 -0.063,626 0.001,627 0.043,628 0.094,629 -0.049,630 0.105,631 -0.048,632 -0.178,633 -0.055,634 -0.186,635 -0.067,636 -0.143,637 0.085,638 0.047,639 -0.039,640 -0.028,641 0.139,642 -0.057,643 5.667,644 6.879,645 0.722,646 44.852,647 1.018,648 1.152,649 4.783,650 22.875,651 0.651,652 3.714,653 4.06,654 4.317,655 4.564,656 4.71,657 4.787,658 4.913,659 5.024,660 5.081,661 5.176,662 9.335,663 0.633,664 500.6,665 3.714,666 5.273,667 6.125,668 7.009,669 7.874,670 8.76,671 9.63,672 10.516,673 11.389,674 12.275,675 9.4,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 64,716 21,717 2,718 40,720 68,721 26,722 16,723 5,724 7,730 5,731 6,736 1,740 3,742 1,743 5,745 16,746 10,748 1,762 4,764 28,765 8,766 2,767 10,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,825 4,827 36,833 7,834 1,837 2,838 1,839 1,844 1,846 4,854 18.083,855 11.121,856 7.722,857 3.888,858 3.741,859 1.441,860 1.015,861 7.314,862 12.217,863 3.942,864 4.533,865 5.11,866 5.682,867 6.101,868 6.43,869 6.854,870 7.24,871 7.433,872 7.656,873 0.9,874 55,875 13.87,877 6.486,878 8.039,879 25.309,881 21.442,883 2.539,884 91.417,888 306.049,889 135.614,890 73.146,893 59.84,895 135.614,896 306.049,897 132.986,899 18.206,900 93.392,901 74.105,902 81.576,903 28.875,904 270.735,905 7.76,906 306.049,907 208.76,908 59.84,911 273.924,912 91.965,915 83.022,916 92.412,917 33.326,919 365.889,920 73.146,921 135.614,924 315.987,925 33.057,926 97.642,927 34.796,928 93.166,929 306.049,930 132.986,931 135.614,933 0.589,934 0.339,935 0.181,936 0.089,937 28,938 12,939 0.118,940 8,941 1,942 1.077,943 4.802,944 336.384,945 0.077,946 26,947 177.362,951 24.796,952 10.618,953 5.766,954 2.205,955 114.302,956 16.946,957 7.723,958 3.31,961 1.667,962 1.859,963 34.796,964 574.649,965 50.5,975 65.148,976 73.746,977 0.27,978 0.629,979 0.834,980 0.909,981 0.93,982 0.936,983 5.2,984 1.776,985 6.133,986 5.998,987 4.745,988 5.22,989 3.121,990 6.971,991 4.63,992 6.403,993 1.571,994 7.714,995 4.655,996 4.443,997 5.017,998 3.911,999 8.078,1000 4.175,1001 7.715,1002 1.414,1003 9.405,1004 3.906,1005 6.402,1006 7.405,1007 5.424,1008 11.115,1009 6.163,1010 9.065,1011 1.328,1012 11.166,1013 3.479,1014 6.938,1015 8.086,1016 6.69,1017 13.058,1018 6.549,1019 10.452,1020 1.159,1021 12.972,1022 3.453,1023 8.382,1024 9.936,1025 8.058,1026 15.674,1027 7.997,1028 11.864,1029 1.128,1030 14.809,1031 2.827,1032 9.279,1033 11.032,1034 9.389,1035 17.935,1036 8.766,1037 13.295,1038 0.903,1039 16.67,1040 2.549,1041 10.541,1042 12.665,1043 10.734,1044 20.438,1045 10.001,1046 3.375,1047 0.747,1048 18.549,1049 2.109,1050 11.595,1051 13.963,1052 12.074,1053 22.827,1054 10.948,1055 3.118,1056 12.232,1057 20.442,1058 1.742,1059 12.795,1060 15.505,1061 13.416,1062 25.306,1063 12.098,1064 2.872,1065 10.431,1066 22.347,1067 4.518,1068 13.92,1069 16.9,1070 14.758,1071 27.749,1072 13.127,1073 2.752,1074 8.884,1075 24.261,1076 3.993,1077 15.102,1078 18.407,1079 16.1,1080 30.228,1081 14.245,1082 2.419,1083 8.777,1084 26.184,1085 3.731,1086 16.26,1087 19.85,1088 17.441,1089 32.697,1090 15.313,1091 2.254,1092 7.344,1093 28.114,1094 2.894,1095 17.441,1096 21.344,1097 18.783,1098 35.18,1099 16.419,1100 2.022,1101 6.635,1102 30.051,1103 2.833,1104 18.616,1105 22.812,1106 20.124,1107 37.663,1108 17.506,1109 21971,1110 38878,1111 26.929,1112 41.682,1113 61.181,1114 60.143,1115 60.634,1116 60.543,1117 60.236,1118 75.802,1119 10.565,1120 176.005,1121 56.694,1122 5.568,1123 6.471,1124 6.929,1125 5.315,1126 5.375,1127 7.518,1128 5.335,1129 19.718,1130 5.062,1131 16.71,1132 1.53,1133 1.504,1134 1.516,1135 1.514,1136 1.506,1137 1.895,1138 0.264,1139 4.4,1140 1.417,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 8.513,1146 4.07,1147 3.974,1148 4.014,1149 3.922,1150 3.888,1151 8.19,1152 3.889,1153 3.863,1154 3.921,1155 3.791,1156 3.703,1157 7.999,1158 3.709,1159 3.823,1160 3.895,1161 3.761,1162 3.585,1163 7.999,1164 3.623,1165 3.547,1166 3.618,1167 3.41,1168 3.39,1169 5.135,1170 3.388,1171 3.33,1172 3.402,1173 3.328,1174 3.146,1175 4.927,1176 3.154,1177 3.312,1178 3.362,1179 3.214,1180 3.055,1181 4.706,1182 3.072,1183 3.228,1184 3.309,1185 3.081,1186 2.997,1187 4.336,1188 3.031,1189 0.114,1190 0.112,1191 0.181,1192 0.106,1193 0.084,1194 4.568,1195 0.113,1196 4.471,1197 0.096,1198 7.247,1199 0.306,1200 4.256,1201 0.077,1202 3.375,1203 4.518,1204 3.825,1205 12.232,1206 3.062,1207 1.961,1208 1.936,1209 2.066,1210 2.07,1211 1.407,1212 2.071,1213 1.934,1214 1.906,1215 2.039,1216 2.048,1217 1.274,1218 2.045,1219 1.828,1220 1.77,1221 1.996,1222 1.992,1223 1.176,1224 1.995,1225 1.661,1226 1.606,1227 1.866,1228 1.83,1229 1.112,1230 1.845,1231 1.412,1232 1.339,1233 1.6,1234 1.671,1235 0.785,1236 1.651,1237 1.346,1238 1.279,1239 1.523,1240 1.572,1241 0.762,1242 1.566,1243 1.217,1244 1.143,1245 1.477,1246 1.445,1247 0.664,1248 1.461,1249 1.135,1250 1.053,1251 1.455,1252 1.442,1253 0.58,1254 1.41,1255 4.394,1257 5.733,1258 3.045,1259 7.253,1260 5.283,1261 8.858,1262 7.286,1263 10.507,1267 54.527,1271 4.058,1272 3.019,1275 -1.58,1276 2.101,1277 -4.417,1280 40.51,1281 103.673,1282 241.619,1283 320.084,1284 349.245,1285 357.245,1286 359.245,1287 81.44,1288 8.476,1289 61.77,1290 61.77,1291 28,1292 12.809,1293 4.459,1294 3.524,1295 54.946,1296 207,1297 161,1298 0.127,1299 242.416,1300 419.48,1301 583.256,1302 73853,1303 6.3,1304 25.123,1305 0.698,1306 0.547,1307 21.753,1308 19.679,1309 17.381,1310 0.435,1311 0.302,1312 11.851,1313 16.499,1314 11.717,1315 9.583,1316 15.759,1317 12.082,1318 16.321,1319 0.286,1320 0.163,1321 13.796,1322 9.264,1323 13.241,1324 0.179,1325 0.093,1326 12.057,1327 6.891,1328 11.147,1329 0.117,1330 0.052,1331 9.845,1332 4.954,1333 8.313,1334 0.076,1335 0.03,1336 7.503,1337 3.351,1338 0.208,1339 110.499,1340 0.193,1341 33.821,1342 0.323,1343 194,1344 747.691,1345 225.672,1346 617.905,1347 812.3,1348 576,1349 228,1350 570.772,1351 254.79,1352 554.584,1353 829.87,1354 521,1355 7.886} {0 CHEMBL2115112,1 1.602,2 15.27,3 5.124,4 26.259,5 138.331,6 7.681,7 0.512,8 4.313,9 4.445,10 3.9,11 3.808,12 5.399,13 3.803,14 4.911,15 5.103,16 4.326,17 4.234,18 6.302,19 4.213,20 5.154,21 5.375,22 4.317,23 4.414,24 6.182,25 4.337,26 5.325,27 5.577,28 4.337,29 4.454,30 6.366,31 4.361,32 5.382,33 5.662,34 4.215,35 4.389,36 6.446,37 4.279,38 5.221,39 5.499,40 4.177,41 4.308,42 6.179,43 4.212,44 5.182,45 5.427,46 4.186,47 4.266,48 6.298,49 4.193,50 5.202,51 5.477,52 4.133,53 4.166,54 6.525,55 4.081,56 0.126,57 1.316,58 13.193,59 6.151,60 24.9,61 7.852,62 1.005,63 2.444,64 28.858,65 10.237,66 151.96,67 13.402,68 0.65,69 2.496,70 37.496,71 14.274,72 65.802,73 19.276,74 0.769,75 2.824,76 47.67,77 17.04,78 101.715,79 22.877,80 1.433,81 2.734,82 55.634,83 17.304,84 181.714,85 22.968,86 0.811,87 2.353,88 45.02,89 14.592,90 100.616,91 20.508,92 0.942,93 2.527,94 42.56,95 14.38,96 140.411,97 17.982,98 1.53,99 2.697,100 46.576,101 13.726,102 242.333,103 18.065,104 27,105 59,106 0.252,107 0.581,108 0.794,109 0.863,110 0.881,111 0.886,112 3.642,113 0.912,114 -6.21,115 -6.05,116 -5.62,119 40.3,121 3,124 1,125 4,127 2,131 1,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 3,178 11,182 5,186 3,189 8,192 1,193 8,197 1,199 5,203 7,206 1,211 5,215 6,218 1,222 4,226 6,229 2,233 2,236 1,237 6,242 1,244 2,249 2,256 4,259 2642,260 24.764,261 24.764,262 24.764,263 24.764,264 24.764,265 22.363,266 29.459,267 14.432,268 25.498,269 20.253,270 20.253,271 20.253,272 20.253,273 20.253,274 16.656,275 35.484,276 6.836,277 21.549,278 4.464,279 2.374,280 1.025,281 0.59,282 0.47,283 0.44,284 4.344,290 1238,291 4.243,294 204.613,295 385.572,298 175.551,302 2.44,303 52.133,306 0.5,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.72,314 83,315 565,316 4.568,317 4.471,318 7.248,319 4.261,320 3.378,321 4.518,322 3.825,323 12.242,324 3.062,325 4.538,326 3.347,327 6.566,328 4.099,329 3.118,330 3.996,331 0.916,332 10.431,333 3.037,334 4.129,335 3.196,336 6.41,337 3.927,338 2.992,339 3.731,340 0.8,341 9.742,342 2.784,343 3.995,344 2.906,345 6.095,346 3.689,347 2.752,348 3.005,349 0.172,350 8.884,351 2.577,352 3.656,353 2.88,354 5.622,355 3.4,356 2.486,357 2.838,359 7.5,360 2.241,361 3.445,362 2.643,363 5.349,364 3.221,365 2.297,366 2.811,368 6.876,369 2.089,370 3.356,371 2.321,372 5.128,373 3.01,374 2.033,375 2.593,377 6.003,378 1.976,379 3.246,380 2.179,381 4.741,382 2.734,383 1.791,384 2.391,386 4.84,387 1.692,388 2.952,389 1.795,390 4.514,391 2.697,392 1.766,393 2.086,395 4.654,396 1.629,397 2.747,398 1.611,399 4.149,400 2.412,401 1.432,402 1.85,404 3.496,405 1.393,406 2.694,407 1.383,408 4.132,409 2.314,410 1.331,411 1.715,413 3.476,414 1.305,415 2.582,416 1.339,417 3.806,418 2.154,419 1.19,420 1.614,422 2.855,423 1.142,424 2.426,425 1.27,426 3.599,427 2.114,428 1.149,429 1.4,431 2.798,432 1.092,433 2.276,434 1.124,435 3.47,436 2.02,437 1.057,438 1.24,440 2.466,441 1.015,442 2.162,443 0.922,444 3.317,445 1.851,446 0.885,447 1.118,449 2.086,450 0.853,451 17.043,452 0.461,453 1.052,454 0.028,455 42.75,456 1.155,457 18,458 0.486,459 24.75,460 0.669,461 37.472,462 1.013,463 41.757,464 0.623,465 36.06,466 0.975,467 8.572,468 0.232,469 9.22,470 0.249,471 0.096,472 0.029,473 0.305,474 1,476 3,479 0.569,480 1.134,481 0.703,482 1.166,483 0.536,484 1.024,485 0.623,486 0.813,487 0.84,488 0.909,489 0.448,490 0.92,491 0.658,492 0.926,493 0.94,494 1.128,495 0.602,496 1.127,497 0.796,498 1.04,499 0.942,500 1.149,501 0.75,502 1.11,503 1.139,504 0.932,505 1.092,506 0.937,507 1.223,508 0.992,509 0.752,510 0.85,511 0.846,512 0.901,513 0.678,514 0.899,515 1.258,516 1.19,517 1.168,518 1.148,519 1.324,520 1.141,521 1.076,522 0.979,523 1.066,524 0.971,525 1.062,526 1.001,527 8,528 0.174,529 4.889,530 2.819,531 1.797,532 1.542,533 0.771,534 0.562,535 0.337,536 0.32,537 24833,538 75267,539 2.093,540 44.8,541 2,542 20,543 1,544 2,545 1,547 2,548 2,550 1.775,551 1.956,552 3.849,553 -0.338,559 107.33,560 1.602,561 3.692,562 5.041,563 5.476,564 5.596,565 5.626,566 3.25,567 4.682,568 5.185,569 4.115,570 2740.37,571 9.084,572 47628.9,577 406.428,578 1.531,579 5.134,580 0.195,581 0.006,582 0.083,583 0.049,584 0.032,585 0.032,586 0.016,587 0.012,588 0.008,589 0.01,590 0.442,591 0.33,592 0.63,593 0.672,594 208.296,595 -0.007,596 -0.132,597 0.052,598 -0.072,599 -0.047,600 -0.013,601 0.223,602 0.216,603 0.042,604 0.101,605 0.327,606 0.043,607 0.01,608 -0.04,609 -0.063,610 -0.099,611 0.02,612 -0.104,613 -0.019,614 -0.163,616 -0.142,617 0.015,618 -0.086,619 -0.065,620 0.05,621 -0.054,622 0.046,623 -0.107,624 0.009,625 -0.015,626 -0.052,627 0.118,628 0.063,629 0.012,630 0.118,631 -0.142,632 -0.117,633 -0.163,634 -0.137,635 -0.159,636 -0.153,637 0.099,638 0.049,639 -0.007,640 -0.012,641 0.149,642 -0.03,643 5.668,644 7.151,645 0.703,646 45.714,647 1.015,648 1.152,649 4.978,650 24.783,651 0.648,652 3.738,653 4.094,654 4.357,655 4.615,656 4.754,657 4.86,658 4.956,659 5.056,660 5.1,661 5.215,662 9.294,663 0.627,664 514.63,665 3.738,666 5.303,667 6.159,668 7.05,669 7.919,670 8.812,671 9.685,672 10.578,673 11.453,674 12.347,675 9,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 67,716 21,717 2,718 41,720 71,721 27,722 16,723 5,724 7,730 5,731 6,736 1,740 3,742 1,743 5,745 16,746 11,748 1,762 4,764 30,765 8,766 1,767 10,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 4,827 37,833 7,837 2,838 2,839 1,844 1,846 4,854 18.917,855 12.071,856 7.917,857 4.046,858 3.717,859 1.437,860 1.005,861 7.55,862 12.228,863 3.961,864 4.554,865 5.128,866 5.703,867 6.119,868 6.454,869 6.869,870 7.253,871 7.439,872 7.67,873 0.9,874 58,875 14.254,877 6.633,878 8.011,879 26.09,881 22.067,883 2.511,884 92.917,888 341.362,889 144.011,890 58.259,893 59.84,895 144.011,896 341.362,897 118.1,898 8.396,899 18.206,900 75.381,901 74.105,902 84.7,903 28.875,904 306.049,905 7.76,906 341.362,907 202.27,908 59.84,911 309.238,912 91.965,915 68.136,916 100.808,917 33.326,919 401.202,920 58.259,921 144.011,924 351.301,925 33.057,926 109.162,927 16.786,928 93.166,929 341.362,930 118.1,931 144.011,933 0.592,934 0.342,935 0.185,936 0.09,937 29,938 13,939 0.113,940 8,941 1,942 1.077,943 4.812,944 353.034,945 0.077,946 26,947 183.995,951 25.753,952 10.847,953 5.837,954 2.209,955 99.415,956 17.051,957 7.735,958 3.318,961 1.724,962 1.862,963 16.786,964 603.472,965 51.5,975 68.032,976 77.161,977 0.264,978 0.609,979 0.831,980 0.903,981 0.922,982 0.927,983 5.227,984 1.791,985 6.176,986 6.003,987 4.779,988 5.242,989 3.149,990 7.026,991 4.661,992 6.434,993 1.766,994 7.765,995 4.84,996 4.511,997 5.056,998 3.919,999 8.143,1000 4.24,1001 7.749,1002 1.432,1003 9.464,1004 4.654,1005 6.447,1006 7.422,1007 5.427,1008 11.191,1009 6.202,1010 9.101,1011 1.331,1012 11.231,1013 3.496,1014 7.004,1015 8.107,1016 6.691,1017 13.13,1018 6.611,1019 10.488,1020 1.19,1021 13.041,1022 3.476,1023 8.438,1024 9.948,1025 8.058,1026 15.753,1027 8.047,1028 11.9,1029 1.149,1030 14.882,1031 2.855,1032 9.346,1033 11.045,1034 9.389,1035 18.005,1036 8.83,1037 13.331,1038 1.057,1039 16.745,1040 2.798,1041 10.604,1042 12.673,1043 10.734,1044 20.509,1045 10.06,1046 3.378,1047 0.885,1048 18.625,1049 2.466,1050 11.663,1051 13.97,1052 12.074,1053 22.889,1054 11.015,1055 3.118,1056 12.242,1057 20.518,1058 2.086,1059 12.861,1060 15.511,1061 13.416,1062 25.365,1063 12.163,1064 2.992,1065 10.431,1066 22.422,1067 4.518,1068 13.988,1069 16.905,1070 14.758,1071 27.801,1072 13.197,1073 2.752,1074 9.742,1075 24.335,1076 3.996,1077 15.169,1078 18.411,1079 16.1,1080 30.275,1081 14.313,1082 2.486,1083 8.884,1084 26.256,1085 3.731,1086 16.326,1087 19.853,1088 17.441,1089 32.739,1090 15.384,1091 2.297,1092 7.5,1093 28.184,1094 3.005,1095 17.506,1096 21.347,1097 18.783,1098 35.218,1099 16.49,1100 2.033,1101 6.876,1102 30.117,1103 2.838,1104 18.679,1105 22.814,1106 20.124,1107 37.697,1108 17.578,1109 23080,1110 40414,1111 27.334,1112 43.444,1113 62.985,1114 61.695,1115 62.81,1116 62.225,1117 61.902,1118 77.454,1119 11.428,1120 182.767,1121 58.183,1122 5.568,1123 6.471,1124 6.928,1125 5.321,1126 5.378,1127 7.518,1128 5.335,1129 19.774,1130 5.062,1131 18.756,1132 1.536,1133 1.505,1134 1.532,1135 1.518,1136 1.51,1137 1.889,1138 0.279,1139 4.458,1140 1.419,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 8.513,1146 4.07,1147 3.982,1148 4.023,1149 3.928,1150 3.892,1151 8.19,1152 3.893,1153 3.866,1154 3.922,1155 3.792,1156 3.71,1157 7.999,1158 3.716,1159 3.824,1160 3.896,1161 3.768,1162 3.586,1163 7.999,1164 3.624,1165 3.566,1166 3.639,1167 3.431,1168 3.398,1169 5.135,1170 3.398,1171 3.39,1172 3.47,1173 3.329,1174 3.195,1175 4.927,1176 3.201,1177 3.315,1178 3.363,1179 3.253,1180 3.085,1181 4.702,1182 3.084,1183 3.258,1184 3.331,1185 3.127,1186 3.01,1187 4.332,1188 3.062,1189 0.111,1190 0.109,1191 0.177,1192 0.104,1193 0.082,1194 4.568,1195 0.11,1196 4.471,1197 0.093,1198 7.248,1199 0.299,1200 4.261,1201 0.075,1202 3.378,1203 4.518,1204 3.825,1205 12.242,1206 3.062,1207 1.961,1208 1.936,1209 2.071,1210 2.076,1211 1.419,1212 2.077,1213 1.938,1214 1.91,1215 2.04,1216 2.049,1217 1.28,1218 2.046,1219 1.832,1220 1.775,1221 1.997,1222 1.992,1223 1.182,1224 1.995,1225 1.665,1226 1.61,1227 1.871,1228 1.836,1229 1.112,1230 1.851,1231 1.43,1232 1.353,1233 1.674,1234 1.687,1235 0.83,1236 1.68,1237 1.383,1238 1.312,1239 1.571,1240 1.628,1241 0.776,1242 1.619,1243 1.269,1244 1.194,1245 1.484,1246 1.481,1247 0.705,1248 1.496,1249 1.135,1250 1.063,1251 1.459,1252 1.442,1253 0.58,1254 1.41,1255 4.419,1257 5.765,1258 3.045,1259 7.292,1260 5.283,1261 8.904,1262 7.286,1263 10.56,1265 1.713,1267 55.207,1271 4.182,1275 -1.515,1276 3.849,1277 -4.418,1280 42.037,1281 107.33,1282 247.337,1283 337.757,1284 366.918,1285 374.918,1286 376.918,1287 86.333,1288 8.511,1289 52.98,1290 52.98,1291 28,1292 12.877,1293 4.459,1294 3.524,1295 57.216,1296 212,1297 171,1298 0.129,1299 252.009,1300 436.78,1301 606.661,1302 76107,1303 6,1304 25.993,1305 0.703,1306 0.557,1307 22.623,1308 20.626,1309 17.792,1310 0.434,1311 0.304,1312 12.217,1313 16.873,1314 12.013,1315 9.855,1316 16.17,1317 12.462,1318 16.86,1319 0.286,1320 0.165,1321 14.326,1322 9.759,1323 13.627,1324 0.177,1325 0.095,1326 12.516,1327 7.288,1328 11.685,1329 0.117,1330 0.053,1331 10.223,1332 5.337,1333 8.474,1334 0.074,1335 0.031,1336 7.788,1337 3.519,1338 0.212,1339 113.168,1340 0.191,1341 34.442,1342 0.332,1343 200,1344 759.003,1345 232.033,1346 628.942,1347 827.02,1348 586,1349 236,1350 581.476,1351 263.623,1352 567.419,1353 847.92,1354 531,1355 8.032} {0 CHEMBL21369,1 1.533,2 10.708,3 3.969,4 15.751,5 102.456,6 8.442,7 0.462,8 3.905,9 4.034,10 3.589,11 3.479,12 4.923,13 3.427,14 4.454,15 4.652,16 3.991,17 3.875,18 5.42,19 3.799,20 4.703,21 4.91,22 4.132,23 4.065,24 5.664,25 3.941,26 4.81,27 5.059,28 3.841,29 4.015,30 5.72,31 3.842,32 4.698,33 4.973,34 3.727,35 3.838,36 5.618,37 3.705,38 4.516,39 4.75,40 3.864,41 3.737,42 5.556,43 3.628,44 4.433,45 4.679,46 3.57,47 3.699,48 5.317,49 3.552,50 4.383,51 4.624,52 3.648,53 3.629,54 5.325,55 3.482,56 0.029,57 0.662,58 8.616,59 4.186,60 6.151,61 5.705,62 0.201,63 1.086,64 19.232,65 6.92,66 17.425,67 9.588,68 0.221,69 1.32,70 29.485,71 9.841,72 26.189,73 13.06,74 0.256,75 1.34,76 46.609,77 12.167,78 37.94,79 15.817,80 0.239,81 1.197,82 28.656,83 9.532,84 36.572,85 13.182,86 0.356,87 1.034,88 26.07,89 7.436,90 41.138,91 10.174,92 0.17,93 0.956,94 23.581,95 7.806,96 21.225,97 10.594,98 0.174,99 0.875,100 21.272,101 7.346,102 27.734,103 9.72,104 17,105 36,106 0.265,107 0.57,108 0.733,109 0.837,110 0.844,111 0.844,112 3.228,113 1.031,114 -4.66,115 -4.58,116 -4.31,117 1,119 41.3,120 1,124 1,125 4,140 7,141 2,142 3,156 1,169 7,172 3,174 1,176 3,178 10,181 1,182 3,186 3,189 8,193 5,195 1,197 3,199 4,203 4,208 1,211 5,214 1,215 4,220 1,222 7,226 3,229 1,233 6,237 2,244 5,248 1,249 2,256 2,259 814,260 15.947,261 15.947,262 15.947,263 15.947,264 15.947,265 14.327,266 22.341,267 9.33,268 16.34,269 12.799,270 12.799,271 12.799,272 12.799,273 12.799,274 10.363,275 33.112,276 4.443,277 13.487,278 3.991,279 2.231,280 1.286,281 0.685,282 0.642,283 0.642,284 3.907,287 1,288 1,289 1,290 546,291 2.739,295 245.723,302 1.649,303 15.334,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 50.25,315 257,316 4.307,317 3.58,318 6.187,319 3.93,320 2.955,321 3.946,322 1.058,323 9.232,324 2.888,325 4.168,326 3.147,327 6.132,328 3.831,329 2.879,330 3.73,331 0.8,332 8.952,333 2.74,334 3.855,335 3.108,336 5.771,337 3.51,338 2.57,339 3.198,340 0.8,341 7.672,342 2.383,343 3.586,344 2.673,345 5.299,346 3.319,347 2.372,348 2.799,350 6.738,351 2.226,352 3.293,353 2.411,354 5.017,355 3.076,356 2.139,357 2.36,359 5.997,360 1.995,361 2.847,362 1.998,363 4.3,364 2.458,365 1.494,366 1.957,368 4.015,369 1.438,370 2.816,371 1.719,372 4.085,373 2.37,374 1.414,375 1.916,377 3.545,378 1.315,379 2.679,380 1.603,381 3.969,382 2.19,383 1.201,384 1.687,386 3.187,387 1.132,388 2.466,389 1.153,390 3.476,391 2.083,392 1.094,393 1.458,395 2.511,396 1.077,397 2,398 1.146,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 1.366,407 0.665,408 2.797,409 0.957,410 0.108,411 0.129,413 0.24,414 0.069,415 1.181,416 0.433,417 2.533,418 0.815,419 -0.149,420 -0.158,422 -0.329,423 -0.142,424 0.943,425 0.025,426 2.377,427 0.763,428 -0.23,429 -0.296,431 -0.578,432 -0.222,433 0.747,434 -0.315,435 2.219,436 0.326,437 -0.656,438 -0.859,440 -1.693,441 -0.578,442 0.534,443 -0.529,444 2,445 0.174,446 -0.797,447 -0.988,449 -2.008,450 -0.765,451 12.367,452 0.515,453 0.647,454 0.027,455 29.75,456 1.24,457 14.5,458 0.604,459 15.25,460 0.635,461 21.073,462 0.878,463 25.433,464 0.553,465 19.546,466 0.814,467 5.753,468 0.24,469 5.771,470 0.24,471 0.216,473 0.307,479 0.755,480 1.413,481 0.514,482 0.929,483 0.576,484 0.951,485 0.974,486 1.016,487 0.575,488 0.721,489 0.516,490 0.802,491 1.082,492 1.075,493 0.867,494 0.987,495 0.837,496 1.061,497 0.983,498 1.074,499 1.178,500 1.18,501 1.05,502 1.117,503 1.094,504 0.902,505 0.333,506 0.691,507 1.263,508 0.778,509 1.248,510 0.961,511 0.559,512 0.86,513 1.565,514 0.928,515 0.817,516 0.954,517 0.643,518 0.911,519 0.891,520 0.982,521 1.252,522 0.975,523 0.621,524 0.838,525 1.62,526 0.942,527 5.5,528 0.128,529 3.111,530 1.313,531 1.298,532 0.688,533 0.424,534 0.389,535 0.205,536 0.152,537 6516,538 16621,539 2.04,540 47.8,541 3,542 18,545 1,550 1.666,551 1.895,552 3.413,553 -0.342,555 1,559 70.511,560 1.533,561 3.293,562 4.237,563 4.839,564 4.882,565 4.882,566 2.907,567 4.252,568 4.558,569 3.526,570 973.254,571 7.851,572 11580.8,574 1,576 1,577 254.084,578 1.459,579 4.507,580 0.212,581 0.009,582 0.086,583 0.036,584 0.045,585 0.025,586 0.016,587 0.017,588 0.01,589 0.009,590 0.465,591 0.5,592 1,593 0.622,594 115.028,595 -0.01,596 -0.221,597 0.007,598 -0.053,599 -0.036,600 -0.014,601 -0.012,602 0.134,603 0.035,604 0.137,605 0.097,606 0.112,607 -0.105,609 -0.029,610 -0.054,611 0.007,612 -0.113,613 -0.014,614 -0.135,615 -0.114,616 -0.172,617 0.018,618 -0.124,619 -0.015,620 0.043,621 0.077,622 0.131,623 0.027,624 0.158,625 0.072,626 0.06,627 0.058,628 -0.001,629 -0.025,630 -0.011,631 0.012,632 0.03,633 -0.008,634 -0.014,635 -0.05,636 -0.016,637 -0.111,638 -0.018,639 0.046,640 0.066,641 -0.158,642 0.014,643 1.749,644 5.461,645 0.75,646 19.743,647 0.993,648 1.124,649 3.434,650 11.795,651 0.683,652 3.296,653 3.611,654 3.829,655 4.007,656 4.248,657 4.22,658 4.234,659 4.277,660 4.331,661 4.394,662 6.203,663 0.632,664 388.34,665 3.296,666 4.828,667 5.659,668 6.518,669 7.365,670 8.223,671 9.075,672 9.934,673 10.787,674 11.647,675 6.5,678 1,681 1,682 1,688 7,693 5,695 12,702 1,709 1,713 1,714 46,716 13,717 2,718 26,719 1,720 48,721 19,722 12,723 5,724 7,725 1,730 3,731 3,736 1,745 13,746 6,750 1,755 1,759 1,761 1,764 22,765 4,766 1,767 5,768 1,773 3,777 1,778 1,793 3,815 1,819 3,822 1,823 2,827 24,833 4,834 1,838 2,846 1,847 2.2,850 1,854 12.667,855 8.793,856 5.25,857 2.727,858 2.201,859 1.318,860 0.985,861 5.465,862 9.116,863 3.526,864 4.078,865 4.57,866 5.043,867 5.551,868 5.63,869 5.805,870 5.97,871 6.255,872 6.557,873 1,874 36,875 8.882,877 3.675,878 7.594,879 17.305,881 14.06,883 2.094,884 50.25,887 1,888 247.193,889 111.623,890 70.213,892 25.145,895 157.577,896 272.338,897 24.259,898 17.222,899 26.434,900 66.334,901 29.85,902 21.188,904 247.193,905 45.954,906 247.193,907 135.882,908 25.145,910 45.954,911 247.193,912 25.145,915 38.383,916 97.499,918 45.954,919 247.193,920 49.404,921 157.577,924 247.193,925 28.067,926 89.804,927 63.965,928 25.145,929 247.193,930 49.404,931 157.577,933 0.587,934 0.336,935 0.164,936 0.095,937 17,938 8,939 0.063,940 3,942 1,943 3.629,944 188.191,946 18,947 106.039,951 17.308,952 7.578,953 4.322,955 49.404,956 13.713,961 4.718,963 18.011,964 454.174,965 33,970 12.461,974 -0.082,975 45.698,976 51.698,977 0.278,978 0.596,979 0.767,980 0.876,981 0.884,982 0.884,983 4.762,984 1.201,985 5.645,986 3.545,987 4.29,988 4.762,989 1.641,990 6.412,991 4.194,992 5.949,993 1.094,994 7.186,995 3.187,996 3.892,997 4.527,998 0.57,999 7.209,1000 3.709,1001 7.239,1002 1,1003 8.82,1004 2.511,1005 5.855,1006 6.861,1007 1.488,1008 10.246,1009 5.676,1010 8.558,1011 0.108,1012 10.507,1013 2.275,1014 6.217,1015 7.384,1016 0.479,1017 11.811,1018 5.957,1019 9.904,1020 -0.149,1021 12.225,1022 0.24,1023 7.673,1024 9.239,1025 1.47,1026 14.357,1027 7.415,1028 11.27,1029 -0.23,1030 13.964,1031 -0.329,1032 8.385,1033 10.124,1034 0.346,1035 16.254,1036 8.065,1037 12.651,1038 -0.656,1039 15.718,1040 -0.578,1041 9.624,1042 11.758,1043 1.501,1044 18.605,1045 9.296,1046 2.955,1047 -0.797,1048 17.484,1049 -1.693,1050 10.51,1051 12.837,1052 0.237,1053 20.66,1054 10.134,1055 2.879,1056 9.232,1057 19.258,1058 -2.008,1059 11.65,1060 14.354,1061 1.556,1062 22.928,1063 11.259,1064 2.57,1065 8.952,1066 21.038,1067 3.946,1068 12.623,1069 15.544,1070 0.158,1071 25.059,1072 12.194,1073 2.372,1074 7.672,1075 22.823,1076 3.73,1077 13.72,1078 16.995,1079 1.626,1080 27.291,1081 13.271,1082 2.139,1083 6.738,1084 24.613,1085 3.198,1086 14.738,1087 18.25,1088 0.104,1089 29.461,1090 14.258,1091 1.494,1092 5.997,1093 26.406,1094 2.799,1095 15.816,1096 19.663,1097 1.706,1098 31.679,1099 15.313,1100 1.414,1101 4.015,1102 28.203,1103 2.36,1104 16.858,1105 20.959,1106 0.068,1107 33.868,1108 16.327,1109 6351,1110 10286,1111 17.107,1112 31.438,1113 38.846,1114 40.108,1115 39.973,1116 38.485,1117 38.451,1118 48.362,1119 5.317,1120 108.731,1121 36.454,1122 5.307,1123 5.58,1124 5.735,1125 4.997,1126 4.955,1127 6.946,1128 2.117,1129 15.64,1130 4.888,1131 12.563,1132 1.494,1133 1.543,1134 1.537,1135 1.48,1136 1.479,1137 1.86,1138 0.204,1139 4.182,1140 1.402,1141 4,1142 4.038,1143 6.88,1144 3.928,1145 7.429,1146 3.92,1147 3.905,1148 3.937,1149 3.924,1150 3.838,1151 4.774,1152 3.833,1153 3.737,1154 3.801,1155 3.788,1156 3.558,1157 4.695,1158 3.564,1159 3.363,1160 3.405,1161 3.618,1162 3.191,1163 4.354,1164 3.198,1165 3.188,1166 3.287,1167 3.242,1168 2.973,1169 3.962,1170 2.961,1171 3.111,1172 3.206,1173 3.01,1174 2.941,1175 3.877,1176 2.924,1177 3.109,1178 3.187,1179 2.911,1180 2.938,1181 3.831,1182 2.91,1183 2.847,1184 2.903,1185 2.866,1186 2.762,1187 3.668,1188 2.733,1189 0.166,1190 0.138,1191 0.238,1192 0.151,1193 0.114,1194 4.307,1195 0.152,1196 3.58,1197 0.041,1198 6.187,1199 0.355,1200 3.93,1201 0.111,1202 2.955,1203 3.946,1204 1.058,1205 9.232,1206 2.888,1207 1.945,1208 1.921,1209 2.051,1210 2.072,1211 1.304,1212 2.07,1213 1.895,1214 1.865,1215 1.994,1216 1.991,1217 1.154,1218 2.001,1219 1.706,1220 1.636,1221 1.905,1222 1.887,1223 1.046,1224 1.899,1225 1.288,1226 1.244,1227 1.56,1228 1.525,1229 0.825,1230 1.527,1231 1.176,1232 1.077,1233 1.538,1234 1.445,1235 0.642,1236 1.48,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.619,1242 1.429,1243 1.099,1244 1.034,1245 1.287,1246 1.33,1247 0.317,1248 1.342,1249 0.852,1250 0.798,1251 1.135,1252 1.048,1253 0.272,1254 1.086,1255 3.97,1257 5.283,1259 6.788,1261 8.372,1263 9.994,1264 3.462,1265 4.128,1271 4.156,1272 3.002,1276 4.692,1280 29.072,1281 70.511,1282 151.478,1283 194.923,1284 222.574,1285 224.574,1286 224.574,1287 36.213,1288 6.915,1289 35.58,1290 35.58,1291 18,1292 12.199,1293 3.807,1294 3,1295 39.39,1296 89,1297 88,1298 0.215,1299 186.646,1300 320.97,1301 447.176,1302 8940,1303 2.2,1304 17.104,1305 0.713,1306 0.652,1307 18.104,1308 15.637,1309 11.525,1310 0.443,1311 0.344,1312 8.091,1313 10.638,1314 7.762,1315 6.458,1316 12.102,1317 8.931,1318 10.553,1319 0.293,1320 0.198,1321 11.295,1322 7.113,1323 8.699,1324 0.193,1325 0.117,1326 9.557,1327 5.282,1328 6.556,1329 0.121,1330 0.057,1331 6.859,1332 3.081,1333 5.474,1334 0.079,1335 0.033,1336 5.863,1337 2.279,1338 0.34,1339 79.778,1340 0.242,1341 23.599,1342 0.583,1343 124,1344 320.013,1345 198.302,1346 352.026,1347 469.99,1348 328,1349 143,1350 316.201,1351 185.96,1352 338.029,1353 489.31,1354 316,1355 6.7} {0 CHEMBL213987,1 1.605,2 12.935,3 5.354,4 28.665,5 125.02,6 8.095,7 0.353,8 4.137,9 4.241,10 3.778,11 3.699,12 5.172,13 3.667,14 4.713,15 4.881,16 4.158,17 4.101,18 5.707,19 4.048,20 4.961,21 5.159,22 4.337,23 4.26,24 5.978,25 4.168,26 4.977,27 5.186,28 4.119,29 4.213,30 5.976,31 4.106,32 5.002,33 5.231,34 4.058,35 4.139,36 5.97,37 4.036,38 4.872,39 5.088,40 4.128,41 4.038,42 5.935,43 3.959,44 4.746,45 4.936,46 4.064,47 4.028,48 5.811,49 3.945,50 4.827,51 5.034,52 3.973,53 4.087,54 5.777,55 3.977,56 0.027,57 0.765,58 10.752,59 5.414,60 5.749,61 6.879,62 0.312,63 1.278,64 23.803,65 9.129,66 22.459,67 11.716,68 0.565,69 1.527,70 39.476,71 12.597,72 42.495,73 16.246,74 0.407,75 1.523,76 36.199,77 13.146,78 49.711,79 17.04,80 0.568,81 1.507,82 37.859,83 13.048,84 57.831,85 16.744,86 0.701,87 1.315,88 35.01,89 11.071,90 63.913,91 14.139,92 0.563,93 1.214,94 30.562,95 9.989,96 51.748,97 12.747,98 0.338,99 1.327,100 30.535,101 11.219,102 38.503,103 14.516,104 18,105 47,106 0.264,107 0.574,108 0.77,109 0.858,110 0.864,111 0.864,112 3.472,113 1,114 -4.97,115 -4.87,116 -4.57,119 42.1,121 3,124 1,125 5,134 1,135 1,140 6,141 1,142 5,156 1,169 8,171 1,172 9,178 9,181 2,182 8,189 10,192 1,193 7,199 8,202 1,203 6,211 6,214 2,215 6,222 6,225 2,226 6,233 6,237 5,244 6,248 1,249 8,256 6,259 1741,260 21.146,261 21.146,262 21.146,263 21.146,264 21.146,265 19.329,266 27.441,267 12.43,268 21.885,269 16.682,270 16.682,271 16.682,272 16.682,273 16.682,274 13.832,275 33.938,276 5.79,277 17.899,278 4.228,279 2.34,280 1.145,281 0.61,282 0.575,283 0.575,284 4.167,285 2,288 1,289 1,290 865,291 3,294 89.461,295 328.997,302 2.067,303 29.919,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 66.667,315 401,316 4.494,317 3.778,318 6.756,319 4.175,320 3.2,321 4.048,322 1.23,323 10.968,324 3.123,325 4.279,326 3.309,327 6.231,328 3.858,329 2.909,330 3.925,331 0.86,332 9.334,333 2.76,334 4.091,335 3.21,336 6.041,337 3.649,338 2.745,339 3.559,340 0.86,341 8.623,342 2.47,343 3.699,344 2.836,345 5.814,346 3.445,347 2.518,348 3.006,349 0.8,350 7.744,351 2.332,352 3.519,353 2.662,354 5.339,355 3.319,356 2.398,357 2.522,358 0.521,359 6.964,360 2.127,361 3.232,362 2.468,363 5.027,364 2.79,365 1.812,366 2.466,368 5.472,369 1.715,370 2.949,371 2.264,372 4.43,373 2.633,374 1.714,375 2.08,377 4.35,378 1.575,379 2.821,380 2.138,381 4.199,382 2.458,383 1.491,384 1.949,386 3.541,387 1.43,388 2.688,389 1.831,390 4.03,391 2.306,392 1.414,393 1.573,395 3.218,396 1.201,397 2.549,398 1.595,399 3.793,400 2.164,401 1.146,402 1.55,404 3.132,405 1.155,406 2.326,407 1.336,408 3.669,409 2.024,410 1.075,411 1.27,413 2.763,414 1.002,415 2.123,416 1.211,417 3.325,418 1.984,419 1,420 1.095,422 2.236,423 0.983,424 2,425 1.077,426 3.247,427 1.941,428 1,429 1,431 2.136,432 0.933,433 1.727,434 1.005,435 2.983,436 1.465,437 0.577,438 0.648,440 1.04,441 0.505,442 1.402,443 0.736,444 2.771,445 0.941,446 0.127,447 0.153,449 0.278,450 0.081,451 15.229,452 0.491,453 0.695,454 0.022,455 36.75,456 1.185,457 16.5,458 0.532,459 20.25,460 0.653,461 29.722,462 0.959,463 33.971,464 0.596,465 27.929,466 0.901,467 7.119,468 0.23,469 7.944,470 0.256,471 0.149,473 0.315,479 0.714,480 1.404,481 0.592,482 1.041,483 0.543,484 0.958,485 1.037,486 1.065,487 0.699,488 0.815,489 0.639,490 0.846,491 0.898,492 0.978,493 0.782,494 0.897,495 0.738,496 0.916,497 0.97,498 1.106,499 0.842,500 1.053,501 1.083,502 1.046,503 1.211,504 0.96,505 0.715,506 0.842,507 1.275,508 0.881,509 1.13,510 0.912,511 0.75,512 0.812,513 1.028,514 0.814,515 0.981,516 0.929,517 0.935,518 0.974,519 0.752,520 0.963,521 1.018,522 1.097,523 0.851,524 1.018,525 0.944,526 1.048,527 5.5,528 0.172,529 4,530 1.91,531 1.638,532 1.153,533 0.728,534 0.435,535 0.37,536 0.249,537 13637,538 37545,539 2.084,540 45.6,541 2,542 20,547 4,550 1.737,551 1.958,552 3.645,553 -0.767,559 91.469,560 1.605,561 3.493,562 4.688,563 5.223,564 5.258,565 5.258,566 3.112,567 4.607,568 4.922,569 3.813,570 1772.92,571 8.599,572 25746.5,577 332.475,578 1.383,579 4.888,580 0.162,581 0.006,582 0.085,583 0.039,584 0.038,585 0.029,586 0.018,587 0.011,588 0.01,589 0.008,590 0.406,591 0.33,592 0.88,593 0.701,594 162.473,595 -0.011,596 -0.223,597 0.03,598 -0.089,599 0.002,600 -0.022,601 -0.085,602 0.067,603 0.032,604 0.105,605 0.026,606 0.073,607 0.075,608 0.062,609 0.106,610 0.062,611 0.123,612 0.042,613 -0.033,614 -0.111,615 -0.035,616 -0.096,617 0.001,618 -0.075,619 -0.084,620 -0.001,621 0.052,622 0.088,623 -0.076,624 0.074,625 0.102,626 0.072,627 0.13,628 0.126,629 0.14,630 0.129,631 0.093,632 0.106,633 -0.014,634 -0.013,635 0.135,636 -0.012,637 -0.105,638 -0.087,639 -0.058,640 -0.065,641 -0.069,642 -0.08,643 1.747,644 6.092,645 0.742,646 35.725,647 1.006,648 1.121,649 3.737,650 13.964,651 0.684,652 3.555,653 3.871,654 4.159,655 4.382,656 4.575,657 4.663,658 4.796,659 4.898,660 4.997,661 5.094,662 7.483,663 0.644,664 461.42,665 3.555,666 5.094,667 5.948,668 6.819,669 7.688,670 8.567,671 9.443,672 10.327,673 11.209,674 12.096,675 3.5,678 1,682 1,688 6,693 6,695 12,712 2,713 2,714 57,716 14,717 2,718 34,720 60,721 24,722 12,723 6,724 6,725 3,730 4,731 4,732 2,740 3,743 3,745 15,746 9,750 2,755 1,757 1,759 2,764 26,765 5,767 7,768 2,773 2,777 1,778 3,792 1,793 3,806 1,810 1,811 1,815 1,819 4,823 1,824 2,827 31,833 8,835 2,838 2,846 2,847 5.3,850 1,852 2,854 15.833,855 10.519,856 6.917,857 3.585,858 2.571,859 1.331,860 0.976,861 7.436,862 10.343,863 3.761,864 4.304,865 4.848,866 5.334,867 5.817,868 6.041,869 6.356,870 6.618,871 6.89,872 7.244,873 0.889,874 49,875 11.504,877 4.877,878 7.679,879 22.233,881 18.344,883 2.179,884 67.556,888 306.049,889 129.156,890 6.249,891 78.297,892 47.145,895 129.156,896 431.491,897 6.249,898 10.883,899 23.743,900 66.334,901 29.85,902 51.74,904 306.049,905 78.297,906 306.049,907 135.405,908 47.145,909 78.297,911 258.964,912 94.229,915 26.867,916 99.061,917 87.774,919 306.049,920 53.393,921 207.453,924 306.049,925 51.939,926 83.465,928 125.442,929 306.049,930 53.393,931 207.453,933 0.579,934 0.349,935 0.181,936 0.093,937 22,938 10,939 0.117,940 7,942 1,943 4.267,944 275.885,946 23,947 149.58,951 22.466,952 10.26,953 5.198,955 53.393,956 10.83,961 3.73,964 566.895,965 42,970 13.092,972 1.906,974 0.532,975 57.32,976 63.91,977 0.275,978 0.599,979 0.804,980 0.895,981 0.901,982 0.901,983 5.011,984 1.491,985 5.927,986 4.35,987 4.554,988 4.99,989 2.121,990 6.735,991 4.427,992 6.191,993 1.414,994 7.488,995 3.541,996 4.111,997 4.771,998 0.57,999 7.642,1000 3.872,1001 7.491,1002 1.146,1003 9.151,1004 3.218,1005 6.146,1006 7.106,1007 2.038,1008 10.74,1009 5.919,1010 8.827,1011 1.075,1012 10.875,1013 3.132,1014 6.553,1015 7.719,1016 0.877,1017 12.482,1018 6.236,1019 10.197,1020 1,1021 12.636,1022 2.763,1023 8.032,1024 9.531,1025 2.112,1026 15.095,1027 7.723,1028 11.591,1029 1,1030 14.424,1031 2.236,1032 8.821,1033 10.516,1034 1.23,1035 17.176,1036 8.453,1037 13.003,1038 0.577,1039 16.231,1040 2.136,1041 10.081,1042 12.111,1043 2.289,1044 19.628,1045 9.71,1046 3.2,1047 0.127,1048 18.051,1049 1.04,1050 11.05,1051 13.278,1052 1.632,1053 21.863,1054 10.641,1055 2.909,1056 10.968,1057 19.883,1058 0.278,1059 12.223,1060 14.771,1061 2.538,1062 24.26,1063 11.805,1064 2.745,1065 9.334,1066 21.723,1067 4.048,1068 13.276,1069 16.032,1070 2.06,1071 26.568,1072 12.833,1073 2.518,1074 8.623,1075 23.57,1076 3.925,1077 14.419,1078 17.472,1079 2.836,1080 28.949,1081 13.964,1082 2.398,1083 7.744,1084 25.424,1085 3.559,1086 15.514,1087 18.786,1088 2.499,1089 31.294,1090 15.041,1091 1.812,1092 6.964,1093 27.283,1094 3.006,1095 16.648,1096 20.199,1097 3.167,1098 33.673,1099 16.162,1100 1.714,1101 5.472,1102 29.147,1103 2.522,1104 17.765,1105 21.542,1106 2.94,1107 36.038,1108 17.263,1109 12982,1110 21875,1111 22.77,1112 38.989,1113 50.737,1114 52.629,1115 52.37,1116 50.417,1117 50.254,1118 61.687,1119 8.543,1120 143.6,1121 46.783,1122 5.494,1123 5.778,1124 6.558,1125 5.251,1126 5.2,1127 7.048,1128 2.335,1129 18.384,1130 5.123,1131 14.879,1132 1.492,1133 1.548,1134 1.54,1135 1.483,1136 1.478,1137 1.814,1138 0.251,1139 4.224,1140 1.376,1141 4.033,1142 4.056,1143 4.131,1144 3.953,1145 7.428,1146 3.954,1147 3.895,1148 3.929,1149 3.929,1150 3.82,1151 5.044,1152 3.822,1153 3.844,1154 3.89,1155 3.727,1156 3.69,1157 4.919,1158 3.685,1159 3.662,1160 3.685,1161 3.685,1162 3.544,1163 4.494,1164 3.55,1165 3.43,1166 3.497,1167 3.4,1168 3.241,1169 4.481,1170 3.236,1171 3.237,1172 3.302,1173 3.273,1174 2.972,1175 4.44,1176 2.984,1177 3.111,1178 3.206,1179 3.205,1180 2.941,1181 4.318,1182 2.91,1183 2.98,1184 3.054,1185 3.032,1186 2.817,1187 4.228,1188 2.795,1189 0.132,1190 0.111,1191 0.199,1192 0.123,1193 0.094,1194 4.494,1195 0.119,1196 3.778,1197 0.036,1198 6.756,1199 0.323,1200 4.175,1201 0.092,1202 3.2,1203 4.048,1204 1.23,1205 10.968,1206 3.123,1207 1.91,1208 1.898,1209 2.059,1210 2.035,1211 1.412,1212 2.043,1213 1.882,1214 1.863,1215 1.965,1216 1.989,1217 1.126,1218 1.985,1219 1.825,1220 1.761,1221 1.964,1222 1.957,1223 1.101,1224 1.971,1225 1.454,1226 1.423,1227 1.709,1228 1.666,1229 1,1230 1.681,1231 1.425,1232 1.363,1233 1.635,1234 1.601,1235 0.833,1236 1.614,1237 1.293,1238 1.251,1239 1.565,1240 1.54,1241 0.825,1242 1.539,1243 1.153,1244 1.064,1245 1.513,1246 1.423,1247 0.578,1248 1.429,1249 1.14,1250 1.062,1251 1.335,1252 1.376,1253 0.539,1254 1.414,1255 4.234,1257 5.549,1258 2.398,1259 7.062,1260 4.727,1261 8.662,1262 6.823,1263 10.305,1265 1.622,1266 12.144,1271 8.037,1273 11.518,1276 4.145,1280 36.691,1281 91.469,1282 199.093,1283 267.191,1284 297.72,1285 299.72,1286 299.72,1287 57.693,1288 7.771,1289 42.01,1290 42.01,1291 23,1292 12.628,1293 3.907,1294 3.17,1295 49.474,1296 137,1297 145,1298 0.173,1299 230.237,1300 410.19,1301 553.538,1302 27010,1303 3.5,1304 21.794,1305 0.703,1306 0.616,1307 22.794,1308 19.085,1309 15.063,1310 0.443,1311 0.333,1312 10.486,1313 13.946,1314 10.189,1315 8.382,1316 15.64,1317 11.328,1318 13.228,1319 0.281,1320 0.182,1321 13.97,1322 8.563,1323 11.651,1324 0.185,1325 0.103,1326 12.565,1327 6.496,1328 9.324,1329 0.118,1330 0.055,1331 9.71,1332 4.338,1333 7.175,1334 0.075,1335 0.031,1336 7.564,1337 2.938,1338 0.274,1339 100.479,1340 0.21,1341 29.411,1342 0.464,1343 162,1344 478.904,1345 206.504,1346 512.648,1347 679.41,1348 480,1349 191,1350 446.996,1351 233.027,1352 470.319,1353 693.85,1354 442,1355 5.5} {0 CHEMBL21724,1 1.527,2 16.108,3 4.451,4 19.81,5 141.098,6 7.442,7 0.561,8 4.307,9 4.415,10 3.88,11 3.835,12 5.413,13 3.823,14 4.84,15 5.011,16 4.236,17 4.215,18 5.899,19 4.191,20 5.013,21 5.183,22 4.255,23 4.346,24 6.079,25 4.287,26 5.127,27 5.344,28 4.242,29 4.354,30 6.148,31 4.278,32 5.109,33 5.315,34 4.149,35 4.307,36 6.116,37 4.229,38 5.031,39 5.247,40 4.107,41 4.287,42 6.011,43 4.192,44 5.041,45 5.264,46 4.118,47 4.245,48 6.048,49 4.157,50 5.007,51 5.22,52 4.076,53 4.179,54 6.064,55 4.115,56 0.076,57 0.952,58 13.64,59 6.196,60 10.439,61 7.89,62 0.362,63 1.524,64 26.47,65 10.061,66 29.179,67 13.192,68 0.467,69 1.756,70 31.703,71 12.4,72 42.562,73 16.11,74 0.367,75 1.906,76 37.402,77 13.972,78 53.111,79 19.041,80 0.626,81 1.806,82 37.797,83 13.343,84 61.758,85 17.399,86 0.457,87 1.75,88 33.771,89 12.822,90 45.679,91 17.58,92 0.402,93 1.721,94 34.78,95 13.195,96 51.556,97 18.042,98 0.482,99 1.657,100 34.089,101 11.48,102 60.598,103 15.265,104 30,105 58,106 0.239,107 0.568,108 0.737,109 0.823,110 0.85,111 0.85,112 3.642,113 0.898,114 -5.43,115 -5.31,116 -4.96,119 43.3,120 2,121 1,124 2,125 3,140 9,141 6,142 3,147 1,156 1,159 1,164 1,169 16,171 2,172 8,174 1,176 3,178 20,181 2,182 11,186 3,189 18,193 12,195 1,197 3,199 17,203 9,206 1,208 1,211 17,214 2,215 8,220 1,222 14,225 1,226 12,229 1,231 2,233 9,237 13,242 3,244 6,248 1,249 9,254 1,256 8,259 2745,260 24.894,261 24.894,262 24.894,263 24.894,264 24.894,265 22.058,266 25.594,267 14.562,268 25.398,269 20.252,270 20.252,271 20.252,272 20.252,273 20.252,274 15.824,275 32.247,276 6.94,277 21.026,278 4.539,279 2.44,280 1.359,281 0.814,282 0.642,283 0.642,284 4.345,289 1,290 1303,291 3.937,294 224.434,295 374.337,298 181.742,302 2.495,303 30.696,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 80,315 596,316 4.45,317 3.577,318 6.544,319 4.07,320 3.101,321 4.147,322 1.058,323 10.368,324 3.055,325 4.435,326 3.386,327 6.482,328 4.051,329 3.067,330 4.118,331 0.86,332 10.074,333 2.969,334 4.225,335 3.108,336 6.151,337 3.837,338 2.856,339 3.848,340 0.86,341 9.1,342 2.808,343 4.08,344 2.858,345 6.039,346 3.721,347 2.734,348 3.593,349 0.8,350 8.645,351 2.682,352 3.672,353 2.668,354 5.292,355 3.267,356 2.292,357 3.085,359 6.746,360 2.234,361 3.533,362 2.492,363 5.227,364 3.171,365 2.253,366 2.865,368 6.341,369 2.123,370 3.399,371 2.43,372 5.151,373 3.159,374 2.19,375 2.632,377 6.284,378 2.055,379 3.295,380 2.382,381 4.943,382 3.008,383 2.068,384 2.566,386 5.487,387 1.939,388 3.198,389 2.186,390 4.653,391 2.902,392 1.907,393 2.21,395 5.156,396 1.891,397 2.845,398 1.829,399 4.194,400 2.398,401 1.394,402 1.947,404 3.679,405 1.394,406 2.74,407 1.777,408 4.083,409 2.266,410 1.293,411 1.815,413 3.393,414 1.254,415 2.538,416 1.511,417 3.928,418 2.084,419 1.183,420 1.529,422 3.042,423 1.06,424 2.5,425 1.405,426 3.773,427 2.04,428 1.096,429 1.5,431 2.732,432 1.025,433 2.274,434 1.155,435 3.437,436 2,437 1.021,438 1.254,440 2.361,441 1,442 2.176,443 1.04,444 3.414,445 1.987,446 1,447 1.141,449 2.275,450 0.973,451 17.433,452 0.471,453 0.976,454 0.026,455 49.25,456 1.331,457 25,458 0.676,459 24.25,460 0.655,461 32.283,462 0.873,463 39.567,464 0.591,465 40.46,466 1.094,467 9.921,468 0.268,469 7.948,470 0.215,471 0.134,473 0.367,479 0.751,480 1.286,481 0.766,482 1.12,483 0.649,484 0.973,485 0.994,486 0.915,487 0.794,488 0.838,489 0.639,490 0.786,491 1.072,492 1.09,493 1.063,494 1.076,495 0.98,496 1.072,497 0.907,498 1.064,499 0.921,500 1.059,501 1.013,502 1,503 1.449,504 0.942,505 1.135,506 0.926,507 1.467,508 0.979,509 0.779,510 0.997,511 0.999,512 1.044,513 0.849,514 1.051,515 0.8,516 1.081,517 0.883,518 1.072,519 1.056,520 1.009,521 1.423,522 1.005,523 1.086,524 0.943,525 1.615,526 0.953,527 8,528 0.212,529 4.444,530 2.535,531 1.89,532 1.282,533 1.052,534 0.695,535 0.375,536 0.283,537 24365,538 62046,539 2.1,540 44.8,541 3,542 21,545 1,546 3,547 2,550 1.777,551 1.965,552 3.919,553 -0.392,559 102.34,560 1.527,561 3.626,562 4.707,563 5.252,564 5.424,565 5.424,566 3.422,567 4.993,568 5.178,569 4.136,570 2754.64,571 9.087,572 47272.2,577 406.428,578 1.414,579 5.14,580 0.195,581 0.006,582 0.077,583 0.044,584 0.034,585 0.026,586 0.022,587 0.014,588 0.008,589 0.008,590 0.435,591 0.17,592 0.75,593 1.094,594 207.852,595 0.056,596 -0.13,597 0.073,598 -0.066,599 -0.024,600 -0.008,601 0.021,602 0.175,603 0.139,604 0.158,605 0.105,606 0.169,607 -0.036,608 -0.044,609 -0.13,610 -0.064,611 -0.04,612 -0.105,614 -0.069,615 0.045,616 -0.062,617 0.041,618 -0.008,619 -0.202,620 0.03,621 -0.13,622 0.06,623 -0.205,624 -0.014,625 0.047,626 0.012,627 -0.049,628 -0.041,629 0.021,630 -0.054,631 0.094,632 -0.118,633 0.09,634 -0.065,635 0.104,636 -0.003,637 -0.201,638 -0.005,639 -0.076,640 0.019,641 -0.1,642 -0.001,643 1.843,644 6.035,645 0.703,646 49.89,647 1.003,648 1.123,649 4.195,650 17.6,651 0.668,652 3.738,653 4.078,654 4.344,655 4.615,656 4.796,657 4.934,658 5.1,659 5.215,660 5.247,661 5.366,662 9.219,663 0.639,664 498.63,665 3.738,666 5.293,667 6.146,668 7.029,669 7.898,670 8.784,671 9.66,672 10.548,673 11.428,674 12.317,675 6,678 1,682 1,685 2,688 9,689 2,691 1,693 11,695 23,702 1,712 2,714 67,716 24,717 3,718 41,720 71,721 29,722 20,723 9,724 9,725 1,730 5,731 6,736 2,740 1,743 1,745 21,746 8,750 1,755 1,759 1,764 30,765 8,766 1,767 8,773 4,777 0.8,778 4,792 2,793 3,796 1,815 1,819 4,823 4,827 37,833 4,834 1,835 2,838 1,847 6,850 1,852 3,854 18.833,855 13.517,856 8,857 3.975,858 4.137,859 1.485,860 0.988,861 7.379,862 12.67,863 3.998,864 4.613,865 5.196,866 5.781,867 6.269,868 6.598,869 7.028,870 7.392,871 7.713,872 8.118,873 0.909,874 57,875 13.67,877 5.771,878 7.662,879 26.229,881 21.349,883 2.162,884 80,888 341.362,889 177.964,890 57.517,892 56.879,895 177.964,896 398.241,897 57.517,898 34.443,899 31.836,900 85.286,901 71.252,902 69.543,904 341.362,906 341.362,907 235.481,908 56.879,911 320.148,912 80.421,915 57.63,916 139.141,917 36.382,919 341.362,920 114.396,921 177.964,924 341.362,925 58.235,926 122.854,927 18.011,928 93.261,929 341.362,930 114.396,931 177.964,933 0.586,934 0.334,935 0.179,936 0.092,937 28,938 13,939 0.113,940 8,941 1,942 1.077,943 4.832,944 353.171,945 0.077,946 26,947 184.75,951 25.156,952 10.853,953 5.749,955 114.396,956 17.446,957 8.29,959 5.092,961 8.949,963 18.011,964 633.722,965 53.5,970 13.035,974 -0.177,975 67.203,976 75.228,977 0.252,978 0.598,979 0.776,980 0.866,981 0.894,982 0.894,983 5.246,984 2.068,985 6.138,986 6.284,987 4.762,988 5.301,989 1.968,990 6.946,991 4.697,992 6.458,993 1.907,994 7.696,995 5.487,996 4.369,997 5.121,998 0.325,999 7.825,1000 4.292,1001 7.767,1002 1.394,1003 9.35,1004 5.156,1005 6.358,1006 7.491,1007 1.818,1008 10.913,1009 6.245,1010 9.111,1011 1.293,1012 11.061,1013 3.679,1014 6.77,1015 8.118,1016 0.268,1017 12.614,1018 6.644,1019 10.486,1020 1.183,1021 12.808,1022 3.393,1023 8.227,1024 9.963,1025 1.74,1026 15.206,1027 8.075,1028 11.883,1029 1.096,1030 14.581,1031 3.042,1032 9.006,1033 10.965,1034 0.188,1035 17.248,1036 8.839,1037 13.295,1038 1.021,1039 16.372,1040 2.732,1041 10.252,1042 12.583,1043 1.707,1044 19.665,1045 10.064,1046 3.101,1047 1,1048 18.177,1049 2.361,1050 11.205,1051 13.775,1052 0.125,1053 21.855,1054 10.999,1055 3.067,1056 10.368,1057 19.992,1058 2.275,1059 12.365,1060 15.286,1061 1.708,1062 24.206,1063 12.14,1064 2.856,1065 10.074,1066 21.816,1067 4.147,1068 13.401,1069 16.577,1070 0.082,1071 26.462,1072 13.156,1073 2.734,1074 9.1,1075 23.647,1076 4.118,1077 14.528,1078 18.035,1079 1.735,1080 28.789,1081 14.263,1082 2.292,1083 8.645,1084 25.483,1085 3.848,1086 15.603,1087 19.379,1088 0.054,1089 31.076,1090 15.318,1091 2.253,1092 6.746,1093 27.323,1094 3.593,1095 16.718,1096 20.811,1097 1.783,1098 33.395,1099 16.414,1100 2.19,1101 6.341,1102 29.168,1103 3.085,1104 17.812,1105 22.183,1106 0.035,1107 35.698,1108 17.487,1109 22769,1110 36555,1111 27.452,1112 44.739,1113 62.251,1114 63.278,1115 63.335,1116 61.578,1117 61.604,1118 79.966,1119 7.157,1120 178.015,1121 59.464,1122 5.345,1123 5.577,1124 6.09,1125 5.147,1126 5.101,1127 7.147,1128 2.117,1129 17.316,1130 5.055,1131 19.234,1132 1.518,1133 1.543,1134 1.545,1135 1.502,1136 1.503,1137 1.95,1138 0.175,1139 4.342,1140 1.45,1141 4.068,1142 4.089,1143 4.025,1144 4.003,1145 7.429,1146 4.003,1147 3.984,1148 4.002,1149 3.942,1150 3.894,1151 5.295,1152 3.902,1153 3.864,1154 3.889,1155 3.827,1156 3.755,1157 4.928,1158 3.761,1159 3.691,1160 3.751,1161 3.64,1162 3.468,1163 4.786,1164 3.512,1165 3.668,1166 3.721,1167 3.52,1168 3.436,1169 4.546,1170 3.445,1171 3.45,1172 3.499,1173 3.354,1174 3.267,1175 4.477,1176 3.276,1177 3.283,1178 3.337,1179 3.17,1180 3.071,1181 4.313,1182 3.087,1183 3.177,1184 3.26,1185 3.012,1186 3.025,1187 4.207,1188 3.007,1189 0.109,1190 0.087,1191 0.16,1192 0.099,1193 0.076,1194 4.45,1195 0.101,1196 3.577,1197 0.026,1198 6.544,1199 0.253,1200 4.07,1201 0.075,1202 3.101,1203 4.147,1204 1.058,1205 10.368,1206 3.055,1207 2.013,1208 1.994,1209 2.098,1210 2.076,1211 1.245,1212 2.083,1213 1.887,1214 1.869,1215 1.974,1216 1.994,1217 1.19,1218 1.987,1219 1.792,1220 1.769,1221 1.904,1222 1.891,1223 1.093,1224 1.896,1225 1.614,1226 1.534,1227 1.873,1228 1.854,1229 1.013,1230 1.865,1231 1.439,1232 1.385,1233 1.696,1234 1.699,1235 0.889,1236 1.688,1237 1.415,1238 1.359,1239 1.678,1240 1.648,1241 0.736,1242 1.66,1243 1.269,1244 1.229,1245 1.552,1246 1.51,1247 0.694,1248 1.51,1249 1.216,1250 1.15,1251 1.552,1252 1.476,1253 0.621,1254 1.495,1255 4.419,1257 5.753,1258 3.045,1259 7.263,1260 5.283,1261 8.86,1262 7.273,1263 10.505,1265 7.814,1271 2.739,1272 3.018,1273 11.737,1276 2.057,1280 42.793,1281 102.34,1282 242.931,1283 315.369,1284 351.899,1285 363.408,1286 363.408,1287 61.641,1288 8.533,1289 89.72,1290 89.72,1291 28,1292 12.849,1293 4.644,1294 3.755,1295 57.129,1296 207,1297 201,1298 0.132,1299 260.015,1300 452.34,1301 626.196,1302 73372,1304 25.941,1305 0.701,1306 0.581,1307 25.941,1308 21.499,1309 17.868,1310 0.436,1311 0.299,1312 12.083,1313 17.097,1314 11.656,1315 9.714,1316 17.868,1317 12.276,1318 16.558,1319 0.285,1320 0.162,1321 16.558,1322 9.411,1323 13.562,1324 0.178,1325 0.083,1326 13.562,1327 6.274,1328 11.548,1329 0.115,1330 0.043,1331 11.548,1332 4.338,1333 8.729,1334 0.073,1335 0.023,1336 8.729,1337 2.782,1338 0.216,1339 112.563,1340 0.191,1341 34.405,1342 0.343,1343 198,1344 588.21,1345 218.253,1346 561.269,1347 776.81,1348 528,1349 233,1350 586.047,1351 254.198,1352 590.529,1353 861.08,1354 553,1355 7.6} {0 CHEMBL21790,1 1.475,2 16.111,3 5.105,4 26.059,5 141.205,6 7.127,7 0.59,8 4.296,9 4.415,10 3.827,11 3.832,12 5.399,13 3.803,14 4.817,15 5.005,16 4.157,17 4.201,18 5.849,19 4.154,20 4.994,21 5.176,22 4.204,23 4.359,24 6.022,25 4.282,26 5.173,27 5.407,28 4.178,29 4.399,30 6.146,31 4.294,32 5.143,33 5.37,34 4.115,35 4.374,36 6.105,37 4.256,38 5.138,39 5.399,40 4.043,41 4.307,42 6.017,43 4.18,44 5.012,45 5.243,46 4.034,47 4.215,48 6.01,49 4.113,50 4.986,51 5.214,52 3.998,53 4.147,54 6.031,55 4.063,56 0.079,57 0.957,58 14.498,59 6.311,60 12.497,61 8.414,62 0.333,63 1.512,64 26.824,65 10.102,66 29.795,67 13.903,68 0.216,69 1.777,70 31.625,71 12.639,72 36.455,73 17.185,74 0.352,75 2.006,76 40.087,77 14.751,78 56.157,79 20.728,80 0.372,81 1.927,82 38.707,83 14.796,84 54.872,85 20.549,86 0.395,87 1.876,88 39.661,89 14.509,90 48.166,91 20.743,92 0.401,93 1.686,94 34.284,95 12.602,96 52.446,97 17.625,98 0.363,99 1.625,100 33.793,101 11.465,102 55.884,103 15.913,104 44,105 54,106 0.231,107 0.556,108 0.74,109 0.822,110 0.848,111 0.848,112 3.615,113 0.922,114 -6.17,115 -6.02,116 -5.59,119 42.6,120 2,121 2,124 3,125 1,140 10,141 6,142 2,147 1,156 1,159 1,164 1,169 18,171 2,172 8,174 1,176 3,178 22,182 12,186 4,189 21,193 12,197 3,199 18,203 10,206 1,208 2,211 19,214 1,215 7,220 1,222 16,225 1,226 10,229 1,231 2,233 12,237 11,242 3,244 9,248 1,249 8,254 1,256 11,259 2602,260 24.11,261 24.11,262 24.11,263 24.11,264 24.11,265 21.274,266 23.772,267 14.128,268 24.528,269 19.168,270 19.168,271 19.168,272 19.168,273 19.168,274 14.797,275 28.026,276 6.628,277 19.72,278 4.612,279 2.539,280 1.36,281 0.842,282 0.673,283 0.673,284 4.307,289 1,290 1236,291 4,294 124.322,295 414.045,302 2.568,303 25.496,306 0.75,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.79,314 77,315 580,316 4.441,317 3.574,318 6.482,319 4.064,320 3.07,321 4.146,322 1.058,323 10.075,324 3.054,325 4.289,326 3.149,327 6.183,328 3.911,329 2.933,330 3.923,331 0.86,332 9.213,333 2.871,334 4.215,335 3.107,336 6.15,337 3.818,338 2.842,339 3.843,340 0.8,341 9.095,342 2.778,343 4.071,344 2.858,345 6.03,346 3.71,347 2.72,348 3.588,350 8.608,351 2.676,352 3.667,353 2.575,354 5.255,355 3.262,356 2.286,357 3.08,359 6.63,360 2.232,361 3.519,362 2.433,363 5.148,364 3.167,365 2.226,366 2.846,368 6.277,369 2.119,370 3.294,371 2.379,372 4.942,373 3.117,374 2.168,375 2.565,377 5.484,378 2.026,379 3.228,380 2.186,381 4.666,382 2.902,383 1.906,384 2.242,386 5.191,387 1.894,388 2.926,389 2.043,390 4.399,391 2.615,392 1.655,393 2.05,395 4.297,396 1.581,397 2.844,398 1.825,399 4.169,400 2.394,401 1.386,402 1.946,404 3.613,405 1.392,406 2.739,407 1.405,408 4.069,409 2.263,410 1.284,411 1.813,413 3.393,414 1.252,415 2.536,416 1.155,417 3.888,418 2.04,419 1.051,420 1.525,422 2.917,423 1.035,424 2.5,425 1.132,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.176,434 1.047,435 3.288,436 1.987,437 1,438 1.118,440 2.172,441 0.985,442 2.152,443 1,444 3.269,445 1.649,446 0.686,447 1.017,449 1.671,450 0.658,451 17.1,452 0.475,453 0.924,454 0.026,455 47.25,456 1.313,457 24.5,458 0.681,459 22.75,460 0.632,461 31.748,462 0.882,463 38.7,464 0.569,465 38.908,466 1.081,467 9.585,468 0.266,469 7.749,470 0.215,471 0.166,473 0.345,479 0.723,480 1.294,481 0.819,482 1.128,483 0.64,484 1.008,485 0.913,486 0.897,487 0.807,488 0.821,489 0.589,490 0.797,491 0.997,492 1.169,493 1.047,494 1.137,495 0.92,496 1.105,497 0.994,498 1.003,499 0.992,500 1.001,501 1.039,502 0.993,503 0.96,504 1.066,505 1.052,506 1.096,507 1.219,508 1.094,509 0.817,510 0.899,511 0.89,512 0.916,513 0.86,514 0.913,515 0.923,516 1.041,517 0.956,518 1.037,519 1.054,520 1.008,521 1.41,522 1.066,523 1.06,524 1.005,525 1.483,526 0.987,527 8,528 0.211,529 4.444,530 2.347,531 1.899,532 1.295,533 1.011,534 0.642,535 0.337,536 0.288,537 21928,538 54241,539 2.04,540 47.1,541 5,542 21,545 1,546 3,547 2,550 1.769,551 1.895,552 3.941,553 -0.41,559 100.311,560 1.475,561 3.548,562 4.727,563 5.245,564 5.414,565 5.414,566 3.423,567 4.871,568 5.138,569 4.146,570 2612.03,571 9.005,572 44456.8,577 413.947,578 1.459,579 5.092,580 0.205,581 0.006,582 0.082,583 0.043,584 0.037,585 0.027,586 0.022,587 0.015,588 0.008,589 0.008,590 0.454,591 0.17,592 0.75,593 1.237,594 201.318,595 0.088,596 -0.12,597 0.064,598 -0.056,599 -0.01,600 -0.01,601 0.07,602 0.201,603 0.146,604 0.185,605 0.136,606 0.178,607 -0.101,608 -0.101,609 -0.115,610 -0.104,611 -0.025,612 -0.11,613 -0.077,614 -0.003,615 -0.02,616 -0.007,617 -0.003,618 -0.003,619 -0.041,620 -0.083,621 -0.087,622 -0.084,623 -0.09,624 -0.093,625 0.021,626 0.055,627 0.091,628 0.074,629 -0.011,630 0.091,631 0.076,632 -0.056,633 0.026,634 -0.043,635 0.076,636 -0.019,637 -0.144,638 -0.07,639 -0.047,640 -0.04,641 -0.021,642 -0.03,643 1.814,644 5.93,645 0.639,646 49.784,647 0.996,648 1.124,649 4.944,650 24.438,651 0.662,652 3.689,653 4.007,654 4.248,655 4.477,656 4.663,657 4.762,658 4.905,659 4.99,660 5.037,661 5.153,662 9.263,663 0.627,664 484.65,665 3.689,666 5.231,667 6.071,668 6.94,669 7.796,670 8.669,671 9.532,672 10.407,673 11.274,674 12.15,675 5.9,678 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,712 1,714 68,716 24,717 3,718 39,720 71,721 29,722 20,723 8,724 10,725 1,730 4,731 4,736 2,743 2,745 21,746 8,750 1,755 1,759 1,764 32,765 7,766 1,767 7,773 4,777 1,778 3,792 1,793 3,815 1,819 4,823 5,827 36,833 3,834 1,835 1,838 1,847 4.4,850 1,852 2,854 19,855 13.933,856 7.972,857 3.982,858 4.071,859 1.502,860 0.969,861 8.193,862 12.184,863 3.961,864 4.562,865 5.134,866 5.698,867 6.192,868 6.487,869 6.922,870 7.283,871 7.636,872 8.047,873 0.909,874 55,875 13.272,877 5.466,878 7.648,879 25.518,881 20.34,883 2.148,884 77.333,888 364.904,889 186.43,890 57.517,892 45.879,895 186.43,896 410.783,897 57.517,898 45.326,899 25.186,900 94.762,901 71.252,902 53.3,904 364.904,906 364.904,907 243.947,908 45.879,911 343.69,912 69.421,915 50.98,916 154.257,917 36.382,919 364.904,920 103.396,921 186.43,924 364.904,925 46.341,926 143.213,927 18.011,928 82.261,929 364.904,930 103.396,931 186.43,933 0.581,934 0.332,935 0.173,936 0.09,937 24,938 12,939 0.127,940 9,942 1,943 4.712,944 327.966,946 23,947 178.117,951 25.62,952 11.512,953 6.411,955 103.396,956 19.476,957 8.287,959 5.089,961 8.514,963 18.011,964 654.73,965 51.5,970 12.93,974 -0.148,975 67.76,976 76.434,977 0.242,978 0.583,979 0.777,980 0.862,981 0.889,982 0.889,983 5.192,984 1.906,985 6.057,986 5.484,987 4.691,988 5.25,989 1.737,990 6.845,991 4.644,992 6.401,993 1.655,994 7.606,995 5.191,996 4.29,997 5.037,998 0.325,999 7.703,1000 4.224,1001 7.704,1002 1.386,1003 9.251,1004 4.297,1005 6.271,1006 7.431,1007 1.622,1008 10.76,1009 6.188,1010 9.042,1011 1.284,1012 10.952,1013 3.613,1014 6.661,1015 8.017,1016 0.268,1017 12.422,1018 6.562,1019 10.408,1020 1.051,1021 12.687,1022 3.393,1023 8.115,1024 9.882,1025 1.587,1026 14.986,1027 8.005,1028 11.796,1029 1,1030 14.447,1031 2.917,1032 8.866,1033 10.844,1034 0.188,1035 16.981,1036 8.743,1037 13.199,1038 1,1039 16.224,1040 2.275,1041 10.105,1042 12.474,1043 1.592,1044 19.365,1045 9.973,1046 3.07,1047 0.686,1048 18.015,1049 2.172,1050 11.03,1051 13.63,1052 0.125,1053 21.508,1054 10.888,1055 2.933,1056 10.075,1057 19.815,1058 1.671,1059 12.178,1060 15.144,1061 1.624,1062 23.821,1063 12.028,1064 2.842,1065 9.213,1066 21.623,1067 4.146,1068 13.188,1069 16.404,1070 0.082,1071 26.031,1072 13.027,1073 2.72,1074 9.095,1075 23.437,1076 3.923,1077 14.298,1078 17.859,1079 1.676,1080 28.318,1081 14.131,1082 2.286,1083 8.608,1084 25.257,1085 3.843,1086 15.349,1087 19.178,1088 0.054,1089 30.561,1090 15.172,1091 2.226,1092 6.63,1093 27.08,1094 3.588,1095 16.446,1096 20.602,1097 1.742,1098 32.84,1099 16.262,1100 2.168,1101 6.277,1102 28.907,1103 3.08,1104 17.517,1105 21.954,1106 0.035,1107 35.101,1108 17.325,1109 21054,1110 33369,1111 25.66,1112 45.046,1113 58.541,1114 59.103,1115 60.083,1116 57.685,1117 57.699,1118 75.841,1119 5.437,1120 164.094,1121 56.235,1122 5.32,1123 5.574,1124 6.038,1125 5.087,1126 5.07,1127 7.146,1128 2.117,1129 16.894,1130 5.054,1131 20.78,1132 1.501,1133 1.515,1134 1.541,1135 1.479,1136 1.479,1137 1.945,1138 0.139,1139 4.208,1140 1.442,1141 4.062,1142 4.085,1143 4.019,1144 4.001,1145 7.429,1146 4,1147 3.952,1148 3.979,1149 3.902,1150 3.874,1151 5.295,1152 3.875,1153 3.86,1154 3.887,1155 3.82,1156 3.754,1157 4.86,1158 3.759,1159 3.693,1160 3.757,1161 3.637,1162 3.481,1163 4.782,1164 3.511,1165 3.667,1166 3.715,1167 3.524,1168 3.466,1169 4.546,1170 3.478,1171 3.372,1172 3.439,1173 3.286,1174 3.163,1175 4.402,1176 3.177,1177 3.3,1178 3.365,1179 3.109,1180 3.084,1181 4.326,1182 3.087,1183 3.182,1184 3.26,1185 3.031,1186 3.026,1187 3.911,1188 3.008,1189 0.114,1190 0.092,1191 0.166,1192 0.104,1193 0.079,1194 4.441,1195 0.106,1196 3.574,1197 0.027,1198 6.482,1199 0.258,1200 4.064,1201 0.078,1202 3.07,1203 4.146,1204 1.058,1205 10.075,1206 3.054,1207 2.013,1208 1.995,1209 2.099,1210 2.079,1211 1.306,1212 2.085,1213 1.927,1214 1.903,1215 2.045,1216 2.029,1217 1.244,1218 2.035,1219 1.798,1220 1.774,1221 1.915,1222 1.899,1223 1.05,1224 1.906,1225 1.642,1226 1.567,1227 1.874,1228 1.857,1229 1.004,1230 1.867,1231 1.439,1232 1.384,1233 1.696,1234 1.699,1235 0.789,1236 1.688,1237 1.346,1238 1.27,1239 1.659,1240 1.579,1241 0.736,1242 1.607,1243 1.268,1244 1.217,1245 1.573,1246 1.545,1247 0.621,1248 1.549,1249 1.227,1250 1.161,1251 1.552,1252 1.482,1253 0.576,1254 1.496,1255 4.369,1257 5.687,1258 2.398,1259 7.186,1260 4.595,1261 8.769,1262 6.555,1263 10.397,1265 9.618,1271 2.882,1272 3.02,1273 5.508,1276 2.159,1280 42.605,1281 100.311,1282 241.27,1283 321.444,1284 356.663,1285 368.173,1286 368.173,1287 64.414,1288 8.113,1289 80.49,1290 80.49,1291 23,1292 12.691,1293 4.644,1294 3.755,1295 62.577,1296 202,1297 190,1298 0.149,1299 263.412,1300 455.91,1301 634.485,1302 43079,1304 25.656,1305 0.713,1306 0.596,1307 25.656,1308 21.461,1309 17.334,1310 0.444,1311 0.307,1312 11.818,1313 16.668,1314 11.319,1315 9.542,1316 17.334,1317 11.986,1318 15.713,1319 0.291,1320 0.169,1321 15.713,1322 9.132,1323 12.739,1324 0.185,1325 0.088,1326 12.739,1327 6.06,1328 10.447,1329 0.12,1330 0.048,1331 10.447,1332 4.185,1333 7.962,1334 0.076,1335 0.026,1336 7.962,1337 2.698,1338 0.243,1339 108.655,1340 0.197,1341 33.774,1342 0.383,1343 186,1344 530.475,1345 202.046,1346 514.256,1347 708.36,1348 482,1349 216,1350 530.684,1351 232.381,1352 541.648,1353 779.78,1354 504,1355 7} {0 CHEMBL2181166,1 1.548,2 15,3 6.559,4 43.018,5 137.538,6 9.258,7 0.595,8 4.185,9 4.298,10 3.956,11 3.827,12 5.21,13 3.763,14 4.755,15 4.924,16 4.38,17 4.252,18 5.734,19 4.154,20 5.058,21 5.278,22 4.466,23 4.408,24 6.001,25 4.27,26 5.114,27 5.363,28 4.25,29 4.315,30 6.009,31 4.172,32 5.029,33 5.284,34 4.162,35 4.218,36 5.956,37 4.084,38 4.941,39 5.185,40 4.112,41 4.218,42 5.797,43 4.06,44 4.939,45 5.177,46 4.076,47 4.226,48 5.816,49 4.059,50 4.939,51 5.186,52 4.053,53 4.194,54 5.754,55 4.016,56 0.019,57 0.893,58 8.937,59 5.769,60 6.67,61 7.343,62 0.203,63 1.536,64 21.679,65 10.441,66 21.987,67 12.934,68 0.3,69 2.044,70 48.236,71 16.15,72 41.942,73 19.051,74 0.436,75 2.04,76 53.311,77 16.694,78 48.845,79 19.804,80 0.597,81 1.857,82 38.76,83 14.425,84 61.356,85 18.359,86 0.258,87 1.748,88 45.468,89 14.408,90 36.021,91 17.293,92 0.336,93 1.811,94 44.708,95 14.597,96 46.653,97 17.11,98 0.233,99 1.751,100 46.827,101 14.54,102 36.078,103 17.881,104 5,105 51,106 0.249,107 0.556,108 0.744,109 0.832,110 0.852,111 0.852,112 3.531,113 1.028,114 -6.43,115 -6.26,116 -5.81,119 45,121 4,122 1,125 4,140 9,141 3,142 2,143 1,144 2,145 1,169 13,171 1,172 10,178 14,182 10,189 11,192 2,193 7,199 9,202 1,203 7,211 10,215 4,222 10,225 1,226 4,233 12,237 3,244 11,248 1,249 4,256 5,259 1990,260 22.792,261 22.792,262 22.792,263 22.792,264 22.792,265 20.159,266 20.516,267 13.57,268 23.408,269 18.286,270 18.286,271 18.286,272 18.286,273 18.286,274 14.392,275 19.693,276 6.475,277 19.416,278 4.359,279 2.446,280 1.272,281 0.725,282 0.6,283 0.6,284 4.246,290 1103,291 3.162,295 463.281,299 269.476,302 2.424,303 27.399,306 0.5,307 0.67,308 0.67,309 0.6,310 0.5,311 0.67,312 1,313 0.66,314 69.4,315 495,316 4.743,317 3.376,318 6.892,319 4.235,320 3.266,321 4.821,322 0.86,323 11.559,324 3.165,325 4.116,326 2.987,327 6.186,328 3.652,329 2.695,330 3.846,331 0.8,332 8.983,333 2.58,334 4.012,335 2.901,336 5.605,337 3.608,338 2.647,339 3.614,341 7.437,342 2.546,343 3.705,344 2.859,345 5.485,346 3.567,347 2.606,348 3.151,350 7.185,351 2.512,352 3.622,353 2.601,354 5.409,355 3.224,356 2.303,357 2.716,359 7.134,360 2.113,361 3.425,362 2.521,363 5.126,364 3.105,365 2.165,366 2.645,368 6.35,369 2.029,370 3.218,371 2.279,372 4.887,373 2.953,374 2.079,375 2.487,377 5.689,378 1.647,379 3.161,380 1.985,381 4.706,382 2.695,383 1.745,384 2.205,386 4.734,387 1.611,388 2.933,389 1.485,390 3.96,391 2.42,392 1.439,393 2.143,395 3.349,396 1.409,397 2.696,398 1.383,399 3.87,400 2.211,401 1.249,402 1.783,404 2.848,405 1.19,406 2.515,407 1.31,408 3.588,409 2.154,410 1.187,411 1.521,413 2.806,414 1.109,415 2.5,416 1.226,417 3.461,418 2.016,419 1.081,420 1.5,422 2.551,423 1,424 2.246,425 1.077,426 3.414,427 2,428 1,429 1.233,431 2.275,432 1,433 2,434 1,435 3.414,436 1.984,437 1,438 1,440 2.275,441 0.983,442 1.851,443 0.898,444 3.207,445 1.574,446 0.667,447 0.766,449 1.583,450 0.595,451 16.962,452 0.514,453 0.674,454 0.02,455 41.5,456 1.258,457 20.5,458 0.621,459 21,460 0.636,461 32.522,462 0.986,463 34.038,464 0.567,465 27.467,466 0.832,467 7.518,468 0.228,469 8.652,470 0.262,471 0.114,473 0.289,477 1,479 0.663,480 1.087,481 0.475,482 0.703,483 0.532,484 0.877,485 0.9,486 0.993,487 0.543,488 0.696,489 0.604,490 0.9,491 0.896,492 1.02,493 0.793,494 0.897,495 0.714,496 0.975,497 1.134,498 0.932,499 0.618,500 0.769,501 0.839,502 0.922,503 0.932,504 0.81,505 0.272,506 0.513,507 0.741,508 0.811,509 0.92,510 0.96,511 0.707,512 0.84,513 0.745,514 0.981,515 1.173,516 1.01,517 0.731,518 0.867,519 1.301,520 1.06,521 0.846,522 1.075,523 0.708,524 0.94,525 0.939,526 1.121,527 5.5,528 0.124,529 3.556,530 1.5,531 1.796,532 0.944,533 0.544,534 0.351,535 0.291,536 0.212,537 18751,538 49391,539 2.168,540 45,541 2,542 17,544 1,547 7,550 1.745,551 2.084,552 3.773,553 -0.811,558 1,559 92.895,560 1.548,561 3.461,562 4.635,563 5.182,564 5.307,565 5.307,566 3.181,567 4.537,568 5.014,569 4.022,570 2123.78,571 8.742,572 33796.2,577 354.413,578 1.182,579 4.999,580 0.149,581 0.005,582 0.07,583 0.028,584 0.04,585 0.022,586 0.014,587 0.009,588 0.009,589 0.007,590 0.354,591 0.33,592 0.63,593 0.398,594 179.383,595 0.01,596 -0.11,597 0.004,598 -0.022,599 0.019,600 0.005,601 -0.017,602 -0.028,603 0.009,604 0.023,605 0.043,606 -0.01,607 0.044,608 -0.065,609 -0.017,610 -0.039,611 0.11,612 -0.027,613 -0.002,614 -0.022,615 -0.012,616 -0.007,617 0.039,618 0.012,619 0.192,620 0.087,621 0.044,622 0.092,623 0.162,624 0.106,625 -0.05,626 -0.054,627 -0.027,628 -0.033,629 0.009,630 -0.027,631 -0.112,632 0.013,633 -0.048,634 -0.052,635 -0.147,636 -0.108,637 -0.04,638 -0.152,639 -0.031,640 -0.126,641 -0.092,642 -0.149,643 2.011,644 6.408,645 0.788,646 40.47,647 0.995,648 1.119,649 5.205,650 27.088,651 0.716,652 3.638,653 3.951,654 4.234,655 4.5,656 4.796,657 4.844,658 4.97,659 5.094,660 5.242,661 5.257,662 8.689,663 0.655,664 555.47,665 3.638,666 5.176,667 6.028,668 6.901,669 7.771,670 8.651,671 9.53,672 10.415,673 11.301,674 12.191,675 5,678 1,685 2,687 4,688 10,689 2,693 4,695 22,712 1,713 2,714 60,716 22,717 2,718 37,720 64,721 27,722 18,723 5,724 7,730 5,731 8,740 2,741 1,743 4,745 18,746 9,747 1,762 1,764 27,765 5,767 6,768 1,769 1,773 3,777 0.6,778 1,786 2,793 5,797 2,815 1,819 3,825 1,826 1,827 33,833 8,835 1,837 1,838 1,846 2,847 1.7,852 1,854 15.833,855 10.719,856 7.222,857 3.901,858 4.284,859 1.509,860 1.022,861 7.146,862 12.695,863 3.892,864 4.511,865 5.144,866 5.781,867 6.432,868 6.78,869 7.237,870 7.667,871 8.092,872 8.212,873 0.9,874 53,875 12.286,877 5.276,878 7.569,879 24.103,881 20.393,883 2.069,884 68.287,888 317.82,889 200.378,890 36.695,892 11,893 14.96,894 56.782,895 143.596,896 328.82,897 51.655,899 21.048,900 85.286,901 45.342,902 46.572,903 19.775,904 362.831,906 317.82,907 180.292,908 25.96,910 56.782,911 250.382,912 93.398,915 37.508,916 109.213,917 33.571,918 56.782,919 332.78,920 47.695,921 143.596,922 56.782,924 317.82,925 49.263,926 154.24,928 59.531,929 317.82,930 62.655,931 143.596,932 56.782,933 0.578,934 0.337,935 0.183,936 0.107,937 25,938 10,939 0.109,940 7,941 2,942 1.154,943 4.608,944 301.445,945 0.154,946 26,947 158.465,951 22.64,952 10.416,953 5.342,954 2.613,955 62.655,956 19.364,957 9.006,961 2.841,964 580.853,965 48,975 59.701,976 67.162,977 0.262,978 0.586,979 0.785,980 0.877,981 0.898,982 0.898,983 5.121,984 1.745,985 5.994,986 5.689,987 4.635,988 5.198,989 1.235,990 6.786,991 4.526,992 6.314,993 1.439,994 7.535,995 4.734,996 4.111,997 4.997,998 0.325,999 7.653,1000 3.898,1001 7.615,1002 1.249,1003 9.178,1004 3.349,1005 6.205,1006 7.46,1007 0.938,1008 10.771,1009 6.019,1010 8.956,1011 1.187,1012 10.884,1013 2.848,1014 6.524,1015 8.167,1016 0.268,1017 12.527,1018 6.268,1019 10.334,1020 1.081,1021 12.632,1022 2.806,1023 8.054,1024 10.088,1025 0.732,1026 15.177,1027 7.807,1028 11.739,1029 1,1030 14.412,1031 2.551,1032 8.788,1033 11.244,1034 0.188,1035 17.321,1036 8.494,1037 13.169,1038 1,1039 16.215,1040 2.275,1041 10.083,1042 12.942,1043 0.57,1044 19.825,1045 9.782,1046 3.266,1047 0.667,1048 18.038,1049 2.275,1050 11.032,1051 14.32,1052 0.125,1053 22.14,1054 10.695,1055 2.695,1056 11.559,1057 19.877,1058 1.583,1059 12.233,1060 15.93,1061 0.438,1062 24.6,1063 11.879,1064 2.647,1065 8.983,1066 21.729,1067 4.821,1068 13.292,1069 17.411,1070 0.082,1071 26.989,1072 12.907,1073 2.606,1074 7.437,1075 23.593,1076 3.846,1077 14.461,1078 18.989,1079 0.334,1080 29.436,1081 14.054,1082 2.303,1083 7.185,1084 25.466,1085 3.614,1086 15.576,1087 20.518,1088 0.054,1089 31.856,1090 15.139,1091 2.165,1092 7.134,1093 27.347,1094 3.151,1095 16.739,1096 22.087,1097 0.252,1098 34.301,1099 16.276,1100 2.079,1101 6.35,1102 29.235,1103 2.716,1104 17.883,1105 23.638,1106 0.035,1107 36.735,1108 17.391,1109 17248,1110 28192,1111 25.542,1112 42.966,1113 54.798,1114 55.972,1115 55.91,1116 55.06,1117 54.727,1118 71.389,1119 3.32,1120 154.631,1121 51.329,1122 5.743,1123 5.376,1124 6.571,1125 5.315,1126 5.266,1127 7.821,1128 1.72,1129 19.159,1130 5.165,1131 11.473,1132 1.481,1133 1.513,1134 1.511,1135 1.488,1136 1.479,1137 1.929,1138 0.09,1139 4.179,1140 1.387,1141 4.157,1142 4.18,1143 10.695,1144 4.079,1145 8.201,1146 4.087,1147 3.943,1148 3.987,1149 4.136,1150 4.027,1151 5.093,1152 3.884,1153 3.857,1154 3.904,1155 3.818,1156 3.741,1157 4.724,1158 3.726,1159 3.715,1160 3.749,1161 3.729,1162 3.63,1163 4.639,1164 3.631,1165 3.527,1166 3.59,1167 3.66,1168 3.528,1169 4.532,1170 3.385,1171 3.319,1172 3.368,1173 3.365,1174 3.24,1175 4.319,1176 3.141,1177 3.137,1178 3.206,1179 3.21,1180 3.099,1181 4.047,1182 2.996,1183 3.111,1184 3.206,1185 2.978,1186 2.941,1187 3.9,1188 2.91,1189 0.128,1190 0.091,1191 0.186,1192 0.114,1193 0.088,1194 4.743,1195 0.13,1196 3.376,1197 0.023,1198 6.892,1199 0.312,1200 4.235,1201 0.086,1202 3.266,1203 4.821,1204 0.86,1205 11.559,1206 3.165,1207 2.097,1208 2.078,1209 2.143,1210 2.192,1211 1.46,1212 2.177,1213 1.929,1214 1.901,1215 2.08,1216 2.049,1217 1.284,1218 2.065,1219 1.849,1220 1.795,1221 2.012,1222 1.966,1223 1.273,1224 1.992,1225 1.699,1226 1.669,1227 1.82,1228 1.81,1229 1.014,1230 1.814,1231 1.535,1232 1.474,1233 1.764,1234 1.702,1235 0.88,1236 1.732,1237 1.252,1238 1.203,1239 1.513,1240 1.497,1241 0.825,1242 1.498,1243 1.153,1244 1.064,1245 1.497,1246 1.376,1247 0.761,1248 1.429,1249 1.124,1250 1.063,1251 1.315,1252 1.309,1253 0.495,1254 1.319,1255 4.317,1257 5.631,1259 7.151,1261 8.768,1263 10.439,1267 14.408,1268 2.348,1271 8.488,1273 6.169,1275 0.488,1276 2.562,1280 39.327,1281 92.895,1282 207.668,1283 278.11,1284 310.904,1285 318.413,1286 318.413,1287 54.954,1288 8.411,1289 38.25,1290 38.25,1291 30,1292 12.721,1293 4.524,1294 3.585,1295 48.313,1296 174,1297 192,1298 0.133,1299 246.685,1300 417,1301 593.671,1302 66261,1303 3.3,1304 22.623,1305 0.686,1306 0.626,1307 23.253,1308 20.671,1309 16.17,1310 0.437,1311 0.343,1312 11.542,1313 14.99,1314 11.262,1315 9.256,1316 16.625,1317 12.676,1318 14.365,1319 0.282,1320 0.197,1321 15.062,1322 10.024,1323 12.355,1324 0.182,1325 0.106,1326 12.742,1327 7.228,1328 10.197,1329 0.115,1330 0.056,1331 10.365,1332 4.975,1333 8.918,1334 0.074,1335 0.032,1336 9.367,1337 3.895,1338 0.218,1339 113.836,1340 0.198,1341 31.479,1342 0.341,1343 176,1344 494.43,1345 338.25,1346 497.943,1347 673.76,1348 468,1349 207,1350 466.492,1351 269.401,1352 483.399,1353 712.87,1354 457,1355 5} {0 CHEMBL2181168,1 1.503,2 11.038,3 4.865,4 23.667,5 112.626,6 9.228,7 0.552,8 3.996,9 4.117,10 3.771,11 3.623,12 4.953,13 3.545,14 4.58,15 4.767,16 4.204,17 4.051,18 5.467,19 3.935,20 4.863,21 5.094,22 4.431,23 4.223,24 5.688,25 4.067,26 4.913,27 5.166,28 4.355,29 4.187,30 5.738,31 4.005,32 4.807,33 5.054,34 4.349,35 4.083,36 5.629,37 3.912,38 4.711,39 4.962,40 4.179,41 4.054,42 5.476,43 3.84,44 4.662,45 4.911,46 4.021,47 4.028,48 5.403,49 3.778,50 4.575,51 4.823,52 3.949,53 3.921,54 5.32,55 3.689,56 0.037,57 0.713,58 8.001,59 4.885,60 6.54,61 6.449,62 0.217,63 1.227,64 20.477,65 8.911,66 18.105,67 11.342,68 0.21,69 1.573,70 41.428,71 13.069,72 22.917,73 15.965,74 0.393,75 1.577,76 45.197,77 14.123,78 33.259,79 16.475,80 0.316,81 1.405,82 46.337,83 12.812,84 30.021,85 15.079,86 0.213,87 1.298,88 31.473,89 11.74,90 23.216,91 14.342,92 0.211,93 1.255,94 53.989,95 13.562,96 21.37,97 14.673,98 0.155,99 1.15,100 38.422,101 11.32,102 18.211,103 13.065,104 7,105 40,106 0.253,107 0.555,108 0.756,109 0.823,110 0.848,111 0.848,112 3.304,113 1.088,114 -5.08,115 -4.98,116 -4.66,119 42,120 1,121 3,122 1,125 4,140 5,141 2,142 1,143 1,144 2,145 1,169 8,171 1,172 10,178 6,182 11,189 5,192 2,193 6,199 7,202 1,203 7,211 10,215 2,222 8,225 1,226 4,233 9,237 2,244 7,248 1,249 3,256 3,259 1044,260 18.077,261 18.077,262 18.077,263 18.077,264 18.077,265 16.22,266 15.25,267 10.841,268 18.599,269 14.302,270 14.302,271 14.302,272 14.302,273 14.302,274 11.514,275 15.642,276 5.065,277 15.259,278 4.141,279 2.354,280 1.163,281 0.765,282 0.615,283 0.615,284 4.008,288 1,289 1,290 631,291 2.828,295 237.331,299 182.323,302 1.58,303 15.055,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 53.9,315 287,316 4.743,317 3.361,318 6.892,319 4.228,320 3.266,321 4.821,322 0.86,323 11.559,324 3.141,325 4.116,326 2.949,327 6.186,328 3.636,329 2.692,330 3.846,331 0.8,332 8.983,333 2.56,334 3.704,335 2.866,336 5.605,337 3.58,338 2.636,339 3.151,341 7.429,342 2.458,343 3.62,344 2.583,345 5.481,346 3.214,347 2.3,348 2.652,350 7.165,351 2.094,352 3.222,353 2.278,354 5.125,355 3.091,356 2.146,357 2.487,359 6.342,360 1.985,361 3.163,362 1.953,363 4.706,364 2.656,365 1.745,366 2.206,368 4.734,369 1.516,370 2.933,371 1.483,372 3.96,373 2.42,374 1.439,375 2.143,377 3.349,378 1.409,379 2.696,380 1.38,381 3.87,382 2.189,383 1.246,384 1.783,386 2.842,387 1.135,388 2.514,389 1.293,390 3.588,391 2.117,392 1.156,393 1.52,395 2.795,396 1.05,397 2.136,398 1.15,399 3.414,400 2.005,401 1.06,402 1.13,404 2.275,405 0.987,406 2,407 1.077,408 3.291,409 1.984,410 1,411 1,413 2.006,414 0.983,415 1.827,416 0.882,417 3.094,418 1.546,419 0.65,420 0.743,422 1.458,423 0.553,424 1.361,425 0.43,426 2.79,427 0.975,428 0.088,429 0.104,431 0.206,432 0.046,433 1.11,434 0.018,435 2.607,436 0.703,437 -0.198,438 -0.217,440 -0.384,441 -0.121,442 0.855,443 -0.233,444 2.336,445 0.576,446 -0.385,447 -0.537,449 -0.932,450 -0.325,451 13.676,452 0.526,453 0.5,454 0.019,455 31.25,456 1.202,457 14.5,458 0.558,459 16.75,460 0.644,461 26.347,462 1.013,463 27.124,464 0.542,465 18.1,466 0.696,467 5.333,468 0.205,469 7.426,470 0.286,471 0.157,473 0.285,479 0.849,480 1.284,481 0.475,482 0.699,483 0.758,484 0.913,485 1.212,486 1.034,487 0.528,488 0.641,489 0.892,490 0.852,491 1.09,492 1.088,493 0.749,494 0.836,495 0.756,496 0.886,497 1.492,498 0.827,499 0.732,500 0.726,501 1.117,502 0.807,503 1.375,504 0.913,505 0.781,506 0.867,507 1.112,508 0.873,509 1.092,510 0.884,511 0.652,512 0.705,513 1.174,514 0.906,515 0.915,516 0.967,517 1.396,518 1.269,519 1.125,520 1.114,521 0.875,522 1.091,523 1.019,524 1.039,525 1.031,526 1.084,527 4,528 0.124,529 2.889,530 1.375,531 1.613,532 0.799,533 0.423,534 0.326,535 0.184,536 0.129,537 8161,538 18048,539 2.148,540 48,541 3,542 13,544 1,547 7,550 1.69,551 2.053,552 3.368,553 -0.798,558 1,559 75.16,560 1.503,561 3.29,562 4.481,563 4.879,564 5.029,565 5.029,566 2.855,567 4.316,568 4.668,569 3.542,570 1151.08,571 8.089,572 14212.1,577 282.193,578 1.239,579 4.65,580 0.138,581 0.008,582 0.072,583 0.032,584 0.042,585 0.023,586 0.015,587 0.013,588 0.008,589 0.006,590 0.358,591 0.33,592 0.88,593 0.827,594 126.998,595 0.042,596 -0.185,597 0.003,598 -0.033,599 0.09,600 -0.008,601 0.004,602 0.032,603 0.016,604 0.058,605 0.099,606 0.041,607 0.015,608 -0.084,609 0.027,610 0.012,611 0.224,612 0.055,613 0.012,614 0.145,615 0.026,616 0.11,617 0.157,618 0.119,619 0.018,620 0.036,621 0.043,622 0.017,623 0.102,624 0.077,625 -0.104,626 0.073,627 0.04,628 0.102,629 -0.134,630 0.044,631 -0.039,632 0.006,633 -0.082,634 -0.078,635 -0.179,636 -0.082,637 -0.052,638 -0.124,639 -0.031,640 -0.05,641 -0.141,642 -0.093,643 0.944,644 2.744,645 0.769,646 22.935,647 0.988,648 1.12,649 3.849,650 14.815,651 0.71,652 3.401,653 3.714,654 4.025,655 4.317,656 4.615,657 4.691,658 4.836,659 4.949,660 5.069,661 5.063,662 6.275,663 0.638,664 461.38,665 3.401,666 4.934,667 5.796,668 6.678,669 7.562,670 8.454,671 9.347,672 10.244,673 11.142,674 12.043,675 6,678 1,685 2,687 4,688 6,689 2,693 2,695 16,712 1,713 1,714 50,716 16,717 1,718 29,720 53,721 21,722 12,723 3,724 3,730 4,731 7,736 1,740 2,741 1,743 3,745 12,746 9,747 1,764 24,765 4,767 5,768 1,769 1,773 3,777 0.5,778 1,786 2,793 4,797 2,815 1,819 2,823 1,826 1,827 26,833 7,835 1,837 1,838 1,846 1,847 2,852 1,854 12.667,855 9.243,856 5.806,857 3.434,858 3.488,859 1.454,860 1.006,861 5.672,862 11.178,863 3.638,864 4.256,865 4.928,866 5.605,867 6.277,868 6.701,869 7.196,870 7.637,871 8.065,872 8.182,873 1,874 43,875 9.652,877 4.054,878 7.402,879 19.262,881 16.206,883 1.902,884 49.453,887 1,888 282.506,889 156.457,890 36.695,892 11,894 56.782,895 99.675,896 293.506,897 36.695,898 8.825,899 18.513,900 47.381,901 45.342,902 34.265,903 4.815,904 327.517,906 282.506,907 136.371,908 11,910 56.782,911 200.109,912 93.398,915 43.798,916 59.001,917 33.571,918 56.782,919 282.506,920 47.695,921 99.675,922 56.782,924 282.506,925 34.422,926 125.16,928 44.571,929 282.506,930 47.695,931 99.675,932 56.782,933 0.571,934 0.342,935 0.195,936 0.112,937 20,938 8,939 0.094,940 5,941 2,942 1.2,943 3.836,944 223.472,945 0.2,946 20,947 118.211,951 18.083,952 8.155,953 3.878,954 4.05,955 47.695,956 12.095,957 9.458,961 1.853,964 486.659,965 37,975 49.421,976 55.992,977 0.266,978 0.583,979 0.794,980 0.864,981 0.891,982 0.891,983 4.868,984 1.246,985 5.765,986 3.349,987 4.394,988 4.942,989 1.235,990 6.586,991 4.271,992 6.059,993 1.156,994 7.323,995 2.842,996 3.892,997 4.796,998 0.325,999 7.516,1000 3.666,1001 7.368,1002 1.06,1003 8.987,1004 2.795,1005 5.984,1006 7.24,1007 0.938,1008 10.656,1009 5.768,1010 8.721,1011 1,1012 10.715,1013 2.275,1014 6.347,1015 8.027,1016 0.268,1017 12.459,1018 6.054,1019 10.114,1020 0.65,1021 12.486,1022 2.006,1023 7.873,1024 9.93,1025 0.732,1026 15.123,1027 7.576,1028 11.537,1029 0.088,1030 14.287,1031 1.458,1032 8.653,1033 11.153,1034 0.188,1035 17.29,1036 8.299,1037 12.985,1038 -0.198,1039 16.11,1040 0.206,1041 9.948,1042 12.844,1043 0.57,1044 19.803,1045 9.577,1046 3.266,1047 -0.385,1048 17.951,1049 -0.384,1050 10.932,1051 14.262,1052 0.125,1053 22.128,1054 10.518,1055 2.692,1056 11.559,1057 19.805,1058 -0.932,1059 12.137,1060 15.872,1061 0.438,1062 24.592,1063 11.698,1064 2.636,1065 8.983,1066 21.67,1067 4.821,1068 13.22,1069 17.376,1070 0.082,1071 26.983,1072 12.743,1073 2.3,1074 7.429,1075 23.545,1076 3.846,1077 14.396,1078 18.957,1079 0.334,1080 29.433,1081 13.889,1082 2.146,1083 7.165,1084 25.427,1085 3.151,1086 15.526,1087 20.497,1088 0.054,1089 31.854,1090 14.983,1091 1.745,1092 6.342,1093 27.316,1094 2.652,1095 16.696,1096 22.069,1097 0.252,1098 34.3,1099 16.12,1100 1.439,1101 4.734,1102 29.21,1103 2.487,1104 17.85,1105 23.626,1106 0.035,1107 36.734,1108 17.237,1109 7752,1110 11793,1111 19.879,1112 35.506,1113 42.896,1114 43.599,1115 44.275,1116 43.074,1117 42.852,1118 55.173,1119 3.32,1120 122.287,1121 39.834,1122 5.743,1123 5.361,1124 6.662,1125 5.309,1126 5.266,1127 7.821,1128 1.72,1129 19.159,1130 5.141,1131 9.575,1132 1.479,1133 1.503,1134 1.527,1135 1.485,1136 1.478,1137 1.903,1138 0.114,1139 4.217,1140 1.374,1141 4.152,1142 4.174,1143 10.695,1144 4.149,1145 5.111,1146 4.094,1147 3.887,1148 3.951,1149 4.107,1150 3.793,1151 4.661,1152 3.738,1153 3.707,1154 3.739,1155 3.76,1156 3.734,1157 4.573,1158 3.649,1159 3.571,1160 3.645,1161 3.593,1162 3.416,1163 4.337,1164 3.398,1165 3.326,1166 3.379,1167 3.4,1168 3.339,1169 4.083,1170 3.134,1171 3.135,1172 3.212,1173 3.222,1174 3.114,1175 3.952,1176 2.967,1177 3.111,1178 3.206,1179 2.977,1180 2.956,1181 3.845,1182 2.925,1183 2.973,1184 3.013,1185 2.866,1186 2.941,1187 3.687,1188 2.91,1189 0.164,1190 0.116,1191 0.238,1192 0.146,1193 0.113,1194 4.743,1195 0.166,1196 3.361,1197 0.03,1198 6.892,1199 0.399,1200 4.228,1201 0.108,1202 3.266,1203 4.821,1204 0.86,1205 11.559,1206 3.141,1207 2.1,1208 2.082,1209 2.133,1210 2.18,1211 1.456,1212 2.172,1213 1.862,1214 1.803,1215 2.071,1216 2.039,1217 1.29,1218 2.054,1219 1.705,1220 1.677,1221 1.884,1222 1.79,1223 1.152,1224 1.822,1225 1.589,1226 1.516,1227 1.805,1228 1.776,1229 0.899,1230 1.801,1231 1.256,1232 1.203,1233 1.524,1234 1.522,1235 0.825,1236 1.522,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.765,1242 1.429,1243 1.122,1244 1.053,1245 1.334,1246 1.324,1247 0.469,1248 1.332,1249 0.965,1250 0.933,1251 1.261,1252 1.14,1253 0.381,1254 1.186,1255 4.078,1257 5.389,1259 6.921,1261 8.559,1263 10.255,1265 2.251,1268 2.338,1271 7.989,1273 6.244,1275 0.613,1276 2.562,1280 31.891,1281 75.16,1282 164.505,1283 224.054,1284 243.928,1285 251.438,1286 251.438,1287 34.844,1288 7.69,1289 38.25,1290 38.25,1291 24,1292 12.565,1293 4.087,1294 3.17,1295 38.107,1296 95,1297 126,1298 0.193,1299 204.108,1300 338.31,1301 489.784,1302 23716,1303 2,1304 17.933,1305 0.69,1306 0.664,1307 19.433,1308 17.277,1309 12.758,1310 0.44,1311 0.363,1312 9.411,1313 11.733,1314 9.125,1315 7.557,1316 13.624,1317 10.519,1318 11.097,1319 0.277,1320 0.205,1321 12.209,1322 8.211,1323 9.692,1324 0.176,1325 0.11,1326 10.767,1327 6.067,1328 8.293,1329 0.112,1330 0.059,1331 9.174,1332 4.393,1333 7.161,1334 0.072,1335 0.032,1336 7.958,1337 3.209,1338 0.302,1339 92.501,1340 0.224,1341 25.061,1342 0.53,1343 138,1344 336.319,1345 296.419,1346 368.625,1347 507.32,1348 348,1349 164,1350 353.158,1351 233.971,1352 373.22,1353 555.3,1354 353,1355 5} {0 CHEMBL2181169,1 1.433,2 11.038,3 5.587,4 31.215,5 115.155,6 9.027,7 0.552,8 4.008,9 4.127,10 3.765,11 3.653,12 4.941,13 3.566,14 4.593,15 4.777,16 4.199,17 4.086,18 5.455,19 3.961,20 4.885,21 5.115,22 4.426,23 4.265,24 5.682,25 4.099,26 4.939,27 5.19,28 4.349,29 4.233,30 5.726,31 4.043,32 4.85,33 5.099,34 4.327,35 4.14,36 5.649,37 3.951,38 4.738,39 4.987,40 4.192,41 4.102,42 5.485,43 3.871,44 4.691,45 4.945,46 4.016,47 4.058,48 5.404,49 3.801,50 4.594,51 4.838,52 3.945,53 3.964,54 5.305,55 3.722,56 0.047,57 0.692,58 8.681,59 5.086,60 6.823,61 6.812,62 0.214,63 1.215,64 21.335,65 9.337,66 17.608,67 12.026,68 0.207,69 1.588,70 42.592,71 13.772,72 22.308,73 16.978,74 0.295,75 1.612,76 46.098,77 14.946,78 29.064,79 17.568,80 0.327,81 1.454,82 46.683,83 14.006,84 30.662,85 16.203,86 0.191,87 1.333,88 38.957,89 13.071,90 22.191,91 15.475,92 0.204,93 1.283,94 55.056,95 14.179,96 21.006,97 15.493,98 0.127,99 1.153,100 38.783,101 12.011,102 16.42,103 14.016,104 7,105 40,106 0.241,107 0.529,108 0.71,109 0.795,110 0.845,111 0.851,112 3.304,113 1.103,114 -6.1,115 -5.94,116 -5.53,119 43.1,120 1,121 3,122 1,125 4,140 7,141 3,142 1,144 1,145 1,169 13,171 1,172 7,178 13,182 11,189 11,193 7,199 11,202 1,203 7,211 14,215 1,222 13,225 1,226 2,233 12,237 3,244 9,249 4,256 3,259 1044,260 18.077,261 18.077,262 18.077,263 18.077,264 18.077,265 16.22,266 15.25,267 10.841,268 18.54,269 14.302,270 14.302,271 14.302,272 14.302,273 14.302,274 11.514,275 15.642,276 5.065,277 15.165,278 4.239,279 2.522,280 1.445,281 0.937,282 0.642,283 0.603,284 4.008,288 1,289 1,290 631,291 2.828,295 237.331,299 182.323,302 1.58,303 13.143,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 53.4,315 287,316 4.743,317 3.361,318 6.892,319 4.236,320 3.266,321 4.821,322 0.86,323 11.559,324 3.172,325 4.116,326 2.949,327 6.186,328 3.636,329 2.692,330 3.846,331 0.8,332 8.983,333 2.56,334 3.704,335 2.866,336 5.605,337 3.582,338 2.636,339 3.151,341 7.429,342 2.462,343 3.62,344 2.583,345 5.481,346 3.223,347 2.3,348 2.652,350 7.165,351 2.105,352 3.222,353 2.278,354 5.125,355 3.097,356 2.146,357 2.487,359 6.342,360 2.011,361 3.163,362 1.953,363 4.706,364 2.664,365 1.745,366 2.206,368 4.734,369 1.529,370 2.933,371 1.483,372 3.96,373 2.426,374 1.439,375 2.143,377 3.349,378 1.419,379 2.696,380 1.38,381 3.87,382 2.197,383 1.246,384 1.783,386 2.842,387 1.142,388 2.514,389 1.293,390 3.588,391 2.124,392 1.156,393 1.52,395 2.795,396 1.055,397 2.136,398 1.15,399 3.414,400 2.034,401 1.06,402 1.13,404 2.275,405 1.022,406 2,407 1.077,408 3.291,409 1.984,410 1,411 1,413 2.006,414 0.983,415 1.827,416 0.882,417 3.094,418 1.55,419 0.65,420 0.743,422 1.458,423 0.555,424 1.361,425 0.43,426 2.79,427 0.976,428 0.088,429 0.104,431 0.206,432 0.046,433 1.11,434 0.018,435 2.607,436 0.707,437 -0.198,438 -0.217,440 -0.384,441 -0.121,442 0.855,443 -0.233,444 2.336,445 0.589,446 -0.385,447 -0.537,449 -0.932,450 -0.326,451 13.776,452 0.53,453 0.5,454 0.019,455 30.75,456 1.183,457 14.5,458 0.558,459 16.25,460 0.625,461 26.7,462 1.027,463 27.024,464 0.53,465 17.747,466 0.683,467 5.251,468 0.202,469 7.507,470 0.289,471 0.156,473 0.283,479 0.857,480 1.207,481 0.477,482 0.692,483 0.803,484 0.909,485 1.232,486 0.993,487 0.529,488 0.646,489 0.903,490 0.864,491 1.099,492 1.038,493 0.743,494 0.83,495 0.762,496 0.89,497 1.63,498 0.882,499 0.723,500 0.743,501 1.204,502 0.834,503 1.572,504 0.847,505 0.77,506 0.813,507 1.28,508 0.856,509 1.071,510 0.948,511 0.856,512 0.866,513 1.176,514 0.968,515 0.92,516 0.931,517 1.37,518 1.235,519 1.143,520 1.08,521 0.736,522 1.119,523 1.007,524 1.053,525 0.897,526 1.109,527 4,528 0.124,529 2.889,530 1.375,531 1.613,532 0.799,533 0.423,534 0.326,535 0.184,536 0.129,537 8161,538 17288,539 2.148,540 49,541 3,542 15,547 7,550 1.69,551 2.053,552 3.368,553 -0.836,558 1,559 73.09,560 1.433,561 3.15,562 4.228,563 4.736,564 5.03,565 5.069,566 2.855,567 4.316,568 4.668,569 3.542,570 1151.08,571 8.089,572 14212.1,577 289.294,578 1.239,579 4.65,580 0.138,581 0.008,582 0.072,583 0.032,584 0.042,585 0.023,586 0.015,587 0.013,588 0.008,589 0.006,590 0.358,591 0.5,592 0.75,593 0.827,594 126.998,595 0.055,596 -0.131,597 0.003,598 -0.022,599 0.07,600 0.004,601 0.029,602 0.067,603 0.015,604 0.057,605 0.1,606 0.036,607 0.024,608 -0.032,609 0.026,610 0.016,611 0.219,612 0.053,613 -0.087,614 0.095,615 0.024,616 0.091,617 0.084,618 0.095,619 -0.006,620 0.115,621 0.035,622 0.06,623 0.056,624 0.085,625 -0.081,626 0.02,627 0.014,628 0.05,629 -0.116,630 0.002,631 -0.032,632 0.047,633 -0.074,634 -0.06,635 -0.17,636 -0.055,637 -0.011,638 -0.168,639 -0.028,640 -0.067,641 -0.099,642 -0.11,643 0.881,644 2.784,645 0.769,646 22.935,647 0.984,648 1.116,649 4.868,650 23.697,651 0.711,652 3.401,653 3.714,654 4.025,655 4.317,656 4.615,657 4.691,658 4.836,659 4.949,660 5.069,661 5.063,662 6.275,663 0.635,664 460.39,665 3.401,666 4.934,667 5.796,668 6.678,669 7.562,670 8.454,671 9.347,672 10.244,673 11.142,674 12.043,675 3.9,678 1,685 1,687 4,688 7,689 1,693 2,695 16,712 1,713 1,714 51,716 16,717 2,718 29,720 54,721 22,722 13,723 5,724 7,730 4,731 7,736 1,740 2,741 1,743 3,745 13,746 9,747 1,764 25,765 3,767 4,768 1,769 1,773 2,777 0.5,778 1,786 1,793 4,797 2,815 1,819 2,823 1,826 1,827 26,833 7,835 1,837 1,838 1,846 1,847 2,852 1,854 12.667,855 9.376,856 5.806,857 3.512,858 3.488,859 1.454,860 1.009,861 5.72,862 11.178,863 3.638,864 4.256,865 4.928,866 5.605,867 6.277,868 6.701,869 7.196,870 7.637,871 8.065,872 8.182,873 1,874 43,875 9.661,877 4.054,878 7.364,879 19.392,881 16.399,883 1.864,884 48.453,888 294.278,889 166.791,890 19.91,892 11,894 56.782,895 110.009,896 305.277,897 19.91,898 8.825,899 18.513,900 66.334,901 16.786,902 25.647,903 4.815,904 351.06,906 294.278,907 129.919,908 11,910 56.782,911 211.88,912 93.398,915 32.607,916 80.527,917 16.786,918 56.782,919 294.278,920 30.91,921 110.009,922 56.782,924 294.278,925 34.85,926 135.065,928 27.785,929 294.278,930 30.91,931 110.009,932 56.782,933 0.571,934 0.342,935 0.195,936 0.112,937 20,938 8,939 0.093,940 5,941 2,942 1.2,943 3.836,944 223.472,945 0.2,946 20,947 115.457,951 18.145,952 8.197,953 3.903,954 4.585,955 30.91,956 14.821,957 4.892,961 1.955,964 491.979,965 37,975 50.203,976 56.909,977 0.253,978 0.555,979 0.745,980 0.835,981 0.887,982 0.894,983 4.868,984 1.246,985 5.765,986 3.349,987 4.394,988 4.942,989 1.235,990 6.586,991 4.285,992 6.059,993 1.156,994 7.323,995 2.842,996 3.892,997 4.796,998 0.325,999 7.516,1000 3.681,1001 7.368,1002 1.06,1003 8.987,1004 2.795,1005 5.984,1006 7.24,1007 0.938,1008 10.656,1009 5.795,1010 8.721,1011 1,1012 10.715,1013 2.275,1014 6.347,1015 8.027,1016 0.268,1017 12.459,1018 6.085,1019 10.114,1020 0.65,1021 12.486,1022 2.006,1023 7.873,1024 9.93,1025 0.732,1026 15.123,1027 7.618,1028 11.537,1029 0.088,1030 14.287,1031 1.458,1032 8.653,1033 11.153,1034 0.188,1035 17.29,1036 8.349,1037 12.985,1038 -0.198,1039 16.11,1040 0.206,1041 9.948,1042 12.844,1043 0.57,1044 19.803,1045 9.638,1046 3.266,1047 -0.385,1048 17.951,1049 -0.384,1050 10.932,1051 14.262,1052 0.125,1053 22.128,1054 10.588,1055 2.692,1056 11.559,1057 19.805,1058 -0.932,1059 12.137,1060 15.872,1061 0.438,1062 24.592,1063 11.78,1064 2.636,1065 8.983,1066 21.67,1067 4.821,1068 13.22,1069 17.376,1070 0.082,1071 26.983,1072 12.835,1073 2.3,1074 7.429,1075 23.545,1076 3.846,1077 14.396,1078 18.957,1079 0.334,1080 29.433,1081 13.992,1082 2.146,1083 7.165,1084 25.427,1085 3.151,1086 15.526,1087 20.497,1088 0.054,1089 31.854,1090 15.098,1091 1.745,1092 6.342,1093 27.316,1094 2.652,1095 16.696,1096 22.069,1097 0.252,1098 34.3,1099 16.245,1100 1.439,1101 4.734,1102 29.21,1103 2.487,1104 17.85,1105 23.626,1106 0.035,1107 36.734,1108 17.374,1109 7752,1110 11521,1111 19.879,1112 36.262,1113 42.896,1114 43.599,1115 44.275,1116 43.075,1117 42.852,1118 55.173,1119 3.32,1120 122.287,1121 40.122,1122 5.743,1123 5.361,1124 6.662,1125 5.317,1126 5.266,1127 7.821,1128 1.72,1129 19.159,1130 5.172,1131 9.575,1132 1.479,1133 1.503,1134 1.527,1135 1.485,1136 1.478,1137 1.903,1138 0.114,1139 4.217,1140 1.384,1141 4.164,1142 4.181,1143 10.695,1144 4.169,1145 5.066,1146 4.12,1147 3.888,1148 3.951,1149 4.115,1150 3.829,1151 4.584,1152 3.738,1153 3.721,1154 3.748,1155 3.76,1156 3.739,1157 4.545,1158 3.677,1159 3.572,1160 3.645,1161 3.601,1162 3.417,1163 4.334,1164 3.399,1165 3.338,1166 3.387,1167 3.402,1168 3.342,1169 4.08,1170 3.16,1171 3.138,1172 3.216,1173 3.232,1174 3.143,1175 3.952,1176 2.97,1177 3.111,1178 3.206,1179 2.977,1180 2.956,1181 3.781,1182 2.934,1183 2.995,1184 3.035,1185 2.866,1186 2.941,1187 3.624,1188 2.91,1189 0.164,1190 0.116,1191 0.238,1192 0.146,1193 0.113,1194 4.743,1195 0.166,1196 3.361,1197 0.03,1198 6.892,1199 0.399,1200 4.236,1201 0.109,1202 3.266,1203 4.821,1204 0.86,1205 11.559,1206 3.172,1207 2.128,1208 2.113,1209 2.171,1210 2.186,1211 1.456,1212 2.186,1213 1.862,1214 1.803,1215 2.072,1216 2.04,1217 1.344,1218 2.055,1219 1.731,1220 1.707,1221 1.884,1222 1.795,1223 1.152,1224 1.824,1225 1.589,1226 1.516,1227 1.832,1228 1.78,1229 0.944,1230 1.814,1231 1.273,1232 1.225,1233 1.527,1234 1.527,1235 0.825,1236 1.527,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.768,1242 1.429,1243 1.126,1244 1.054,1245 1.342,1246 1.33,1247 0.472,1248 1.34,1249 1.007,1250 0.971,1251 1.261,1252 1.143,1253 0.387,1254 1.187,1255 4.078,1257 5.389,1259 6.921,1261 8.559,1263 10.255,1265 2.257,1268 2.366,1271 8.088,1273 6.284,1275 0.634,1276 2.572,1280 32.396,1281 73.09,1282 160.667,1283 215.603,1284 241.519,1285 256.539,1286 258.539,1287 34.223,1288 7.69,1289 25.36,1290 25.36,1291 24,1292 12.565,1293 4.087,1294 3.17,1295 38.107,1296 95,1297 126,1298 0.193,1299 206.906,1300 344.61,1301 496.611,1302 23716,1303 2,1304 17.933,1305 0.69,1306 0.669,1307 19.433,1308 17.407,1309 12.758,1310 0.44,1311 0.368,1312 9.567,1313 11.801,1314 9.266,1315 7.679,1316 13.624,1317 10.66,1318 11.097,1319 0.277,1320 0.209,1321 12.209,1322 8.357,1323 9.692,1324 0.176,1325 0.113,1326 10.767,1327 6.221,1328 8.293,1329 0.112,1330 0.061,1331 9.174,1332 4.531,1333 7.161,1334 0.072,1335 0.033,1336 7.958,1337 3.343,1338 0.302,1339 92.047,1340 0.224,1341 25.061,1342 0.53,1343 138,1344 316.674,1345 294.698,1346 351.511,1347 484.96,1348 332,1349 164,1350 336.693,1351 231.973,1352 358.028,1353 532.86,1354 339,1355 5} {0 CHEMBL2181170,1 1.503,2 11.038,3 4.492,4 20.18,5 100.434,6 7.07,7 0.552,8 4.004,9 4.127,10 3.539,11 3.548,12 5.02,13 3.518,14 4.589,15 4.777,16 3.891,17 3.951,18 5.554,19 3.898,20 4.877,21 5.111,22 4.004,23 4.095,24 5.83,25 4.018,26 4.926,27 5.181,28 3.915,29 4.036,30 5.851,31 3.948,32 4.823,33 5.073,34 3.811,35 3.963,36 5.806,37 3.86,38 4.723,39 4.975,40 3.646,41 3.901,42 5.603,43 3.778,44 4.685,45 4.942,46 3.548,47 3.84,48 5.58,49 3.711,50 4.593,51 4.845,52 3.478,53 3.76,54 5.455,55 3.628,56 0.01,57 0.793,58 10.881,59 4.854,60 5.845,61 6.461,62 0.198,63 1.306,64 21.414,65 7.984,66 20.91,67 11.047,68 0.287,69 1.655,70 30.019,71 10.609,72 38.606,73 14.977,74 0.425,75 1.608,76 32.756,77 10.819,78 43.65,79 15.131,80 0.562,81 1.447,82 29.592,83 10.17,84 56.073,85 14.218,86 0.222,87 1.348,88 26.004,89 9.55,90 32.524,91 13.372,92 0.314,93 1.337,94 25.63,95 9.336,96 43.011,97 12.649,98 0.201,99 1.208,100 22.899,101 8.417,102 29.075,103 11.726,104 7,105 40,106 0.253,107 0.555,108 0.756,109 0.823,110 0.848,111 0.848,112 3.304,113 0.977,114 -4.76,115 -4.67,116 -4.39,119 42,120 1,121 3,122 1,125 4,140 5,141 2,142 1,143 1,144 2,145 1,169 8,171 1,172 10,178 5,182 10,189 3,192 2,193 6,199 6,202 1,203 5,211 9,215 2,222 7,225 1,226 4,233 7,237 2,244 5,248 1,249 3,256 3,259 1044,260 18.077,261 18.077,262 18.077,263 18.077,264 18.077,265 16.22,266 15.117,267 10.841,268 18.467,269 14.302,270 14.302,271 14.302,272 14.302,273 14.302,274 11.514,275 15.53,276 5.065,277 14.976,278 4.141,279 2.354,280 1.163,281 0.765,282 0.615,283 0.615,284 4.008,288 1,289 1,290 631,291 2.828,295 237.331,299 182.323,302 1.58,303 24.991,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56,315 287,316 4.743,317 3.376,318 6.892,319 4.235,320 3.266,321 4.821,322 0.86,323 11.559,324 3.165,325 4.116,326 2.987,327 6.186,328 3.65,329 2.692,330 3.846,331 0.8,332 8.983,333 2.577,334 3.704,335 2.874,336 5.605,337 3.596,338 2.636,339 3.151,341 7.429,342 2.535,343 3.62,344 2.597,345 5.481,346 3.222,347 2.3,348 2.652,350 7.165,351 2.114,352 3.222,353 2.283,354 5.125,355 3.097,356 2.146,357 2.487,359 6.342,360 2.029,361 3.163,362 1.985,363 4.706,364 2.695,365 1.745,366 2.206,368 4.734,369 1.646,370 2.933,371 1.484,372 3.96,373 2.42,374 1.439,375 2.143,377 3.349,378 1.409,379 2.696,380 1.38,381 3.87,382 2.209,383 1.246,384 1.783,386 2.842,387 1.191,388 2.514,389 1.307,390 3.588,391 2.123,392 1.156,393 1.52,395 2.795,396 1.115,397 2.136,398 1.151,399 3.414,400 2.006,401 1.06,402 1.13,404 2.275,405 0.996,406 2,407 1.077,408 3.291,409 1.984,410 1,411 1,413 2.006,414 0.983,415 1.827,416 0.884,417 3.094,418 1.556,419 0.65,420 0.743,422 1.458,423 0.583,424 1.361,425 0.474,426 2.79,427 1.015,428 0.088,429 0.104,431 0.206,432 0.08,433 1.11,434 0.025,435 2.607,436 0.738,437 -0.198,438 -0.217,440 -0.384,441 -0.183,442 0.855,443 -0.221,444 2.336,445 0.583,446 -0.385,447 -0.537,449 -0.932,450 -0.37,451 12.319,452 0.474,453 0.5,454 0.019,455 31.5,456 1.212,457 14.5,458 0.558,459 17,460 0.654,461 23.218,462 0.893,463 28.481,464 0.57,465 21.229,466 0.817,467 5.802,468 0.223,469 6.956,470 0.268,471 0.064,473 0.317,477 1,479 0.668,480 1.229,481 0.791,482 1.166,483 0.535,484 1.031,485 0.889,486 1.044,487 0.91,488 0.998,489 0.59,490 0.96,491 0.892,492 1.029,493 0.859,494 1,495 0.696,496 0.935,497 1.154,498 0.895,499 0.922,500 0.876,501 0.828,502 0.861,503 0.943,504 0.825,505 0.912,506 0.886,507 0.766,508 0.898,509 0.884,510 0.975,511 0.974,512 1.024,513 0.763,514 1.017,515 1.197,516 1.011,517 1.096,518 0.998,519 1.376,520 1.028,521 0.968,522 1.108,523 1.051,524 1.108,525 1.057,526 1.099,527 4,528 0.124,529 2.889,530 1.375,531 1.613,532 0.799,533 0.423,534 0.326,535 0.184,536 0.129,537 8161,538 18048,539 2.148,540 48,541 3,542 13,544 1,547 7,550 1.69,551 2.053,552 3.368,553 -0.798,555 1,559 75.16,560 1.503,561 3.29,562 4.481,563 4.879,564 5.029,565 5.029,566 2.855,567 4.316,568 4.668,569 3.542,570 1151.08,571 8.089,572 14212.1,574 1,576 1,577 282.193,578 1.239,579 4.65,580 0.138,581 0.008,582 0.072,583 0.032,584 0.042,585 0.023,586 0.015,587 0.013,588 0.008,589 0.006,590 0.358,591 0.33,592 1,593 0.827,594 126.998,595 0.005,596 -0.161,597 0.071,598 -0.074,599 0.014,600 -0.006,601 -0.014,602 -0.047,603 0.02,604 0.005,605 0.048,606 0.016,607 0.047,608 -0.063,609 0.108,610 -0.021,611 0.126,612 0.041,613 -0.016,614 0.014,615 0.088,616 0.064,617 0.053,618 0.089,619 0.178,620 0.091,621 0.089,622 0.082,623 0.152,624 0.071,625 -0.044,626 -0.074,627 -0.015,628 -0.041,629 0.006,630 -0.026,631 -0.101,632 0.033,633 -0.1,634 -0.004,635 -0.138,636 -0.045,637 -0.064,638 -0.134,639 -0.084,640 -0.116,641 -0.094,642 -0.108,643 2.007,644 6.253,645 0.769,646 22.935,647 0.997,648 1.132,649 3.525,650 12.427,651 0.656,652 3.401,653 3.714,654 4.025,655 4.317,656 4.615,657 4.691,658 4.836,659 4.949,660 5.069,661 5.063,662 6.275,663 0.619,664 353.48,665 3.401,666 4.934,667 5.796,668 6.678,669 7.562,670 8.454,671 9.347,672 10.244,673 11.142,674 12.043,675 6,678 1,685 2,687 4,688 6,689 2,693 2,695 16,712 1,713 1,714 50,716 16,717 1,718 29,720 53,721 21,722 12,723 3,724 3,730 4,731 7,736 1,740 2,741 1,743 3,745 12,746 9,747 1,761 1,762 1,764 24,765 5,767 5,773 3,777 0.5,778 1,786 2,793 4,797 2,815 1,819 2,823 1,825 1,827 26,833 7,835 1,837 1,838 1,846 1,847 2,852 1,854 12.667,855 9.243,856 5.806,857 3.434,858 3.488,859 1.454,860 0.994,861 5.1,862 11.178,863 3.638,864 4.256,865 4.928,866 5.605,867 6.277,868 6.701,869 7.196,870 7.637,871 8.065,872 8.182,873 1,874 43,875 9.694,877 4.168,878 7.628,879 18.929,881 15.948,883 2.128,884 55.333,886 1,887 1,888 282.506,889 107.137,890 36.695,892 11,893 14.96,895 107.137,896 293.506,897 51.655,898 8.825,899 18.513,900 47.381,901 45.342,902 41.727,903 19.775,904 270.735,906 282.506,907 143.832,908 25.96,911 215.069,912 93.398,915 43.798,916 66.463,917 33.571,919 297.467,920 47.695,921 107.137,924 282.506,925 41.883,926 68.378,928 59.531,929 282.506,930 62.655,931 107.137,933 0.571,934 0.342,935 0.195,936 0.112,937 20,938 8,939 0.094,940 5,941 2,942 1.2,943 3.836,944 223.472,945 0.2,946 20,947 118.211,951 17.329,952 7.652,953 3.585,954 2.631,955 62.655,956 10.507,957 8.927,961 0.148,964 452.299,965 37,975 49.865,976 56.611,977 0.266,978 0.583,979 0.794,980 0.864,981 0.891,982 0.891,983 4.868,984 1.246,985 5.765,986 3.349,987 4.394,988 4.942,989 1.235,990 6.586,991 4.304,992 6.059,993 1.156,994 7.323,995 2.842,996 3.892,997 4.796,998 0.325,999 7.516,1000 3.754,1001 7.368,1002 1.06,1003 8.987,1004 2.795,1005 5.984,1006 7.24,1007 0.938,1008 10.656,1009 5.816,1010 8.721,1011 1,1012 10.715,1013 2.275,1014 6.347,1015 8.027,1016 0.268,1017 12.459,1018 6.14,1019 10.114,1020 0.65,1021 12.486,1022 2.006,1023 7.873,1024 9.93,1025 0.732,1026 15.123,1027 7.639,1028 11.537,1029 0.088,1030 14.287,1031 1.458,1032 8.653,1033 11.153,1034 0.188,1035 17.29,1036 8.387,1037 12.985,1038 -0.198,1039 16.11,1040 0.206,1041 9.948,1042 12.844,1043 0.57,1044 19.803,1045 9.656,1046 3.266,1047 -0.385,1048 17.951,1049 -0.384,1050 10.932,1051 14.262,1052 0.125,1053 22.128,1054 10.611,1055 2.692,1056 11.559,1057 19.805,1058 -0.932,1059 12.137,1060 15.872,1061 0.438,1062 24.592,1063 11.79,1064 2.636,1065 8.983,1066 21.67,1067 4.821,1068 13.22,1069 17.376,1070 0.082,1071 26.983,1072 12.845,1073 2.3,1074 7.429,1075 23.545,1076 3.846,1077 14.396,1078 18.957,1079 0.334,1080 29.433,1081 13.993,1082 2.146,1083 7.165,1084 25.427,1085 3.151,1086 15.526,1087 20.497,1088 0.054,1089 31.854,1090 15.095,1091 1.745,1092 6.342,1093 27.316,1094 2.652,1095 16.696,1096 22.069,1097 0.252,1098 34.3,1099 16.236,1100 1.439,1101 4.734,1102 29.21,1103 2.487,1104 17.85,1105 23.626,1106 0.035,1107 36.734,1108 17.36,1109 7752,1110 11793,1111 19.879,1112 32.785,1113 42.896,1114 43.748,1115 44.275,1116 42.871,1117 42.852,1118 55.173,1119 3.32,1120 122.287,1121 40.844,1122 5.743,1123 5.376,1124 6.662,1125 5.312,1126 5.266,1127 7.821,1128 1.72,1129 19.159,1130 5.165,1131 9.575,1132 1.479,1133 1.509,1134 1.527,1135 1.478,1136 1.478,1137 1.903,1138 0.114,1139 4.217,1140 1.408,1141 4.156,1142 4.179,1143 4.136,1144 4.074,1145 8.201,1146 4.086,1147 3.888,1148 3.951,1149 3.762,1150 3.742,1151 5.093,1152 3.737,1153 3.716,1154 3.75,1155 3.661,1156 3.63,1157 4.64,1158 3.631,1159 3.571,1160 3.645,1161 3.4,1162 3.416,1163 4.532,1164 3.398,1165 3.326,1166 3.379,1167 3.222,1168 3.115,1169 4.336,1170 3.134,1171 3.135,1172 3.212,1173 2.979,1174 2.961,1175 4.083,1176 2.955,1177 3.111,1178 3.206,1179 2.941,1180 2.941,1181 3.951,1182 2.91,1183 2.999,1184 3.043,1185 2.866,1186 2.853,1187 3.828,1188 2.866,1189 0.164,1190 0.116,1191 0.238,1192 0.146,1193 0.113,1194 4.743,1195 0.166,1196 3.376,1197 0.03,1198 6.892,1199 0.399,1200 4.235,1201 0.109,1202 3.266,1203 4.821,1204 0.86,1205 11.559,1206 3.165,1207 2.097,1208 2.078,1209 2.143,1210 2.192,1211 1.456,1212 2.177,1213 1.861,1214 1.803,1215 2.071,1216 2.04,1217 1.277,1218 2.055,1219 1.699,1220 1.669,1221 1.884,1222 1.812,1223 1.152,1224 1.824,1225 1.589,1226 1.516,1227 1.819,1228 1.78,1229 0.88,1230 1.809,1231 1.256,1232 1.203,1233 1.524,1234 1.522,1235 0.825,1236 1.522,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.765,1242 1.429,1243 1.122,1244 1.052,1245 1.334,1246 1.324,1247 0.468,1248 1.332,1249 0.948,1250 0.905,1251 1.261,1252 1.142,1253 0.378,1254 1.186,1255 4.078,1257 5.389,1259 6.921,1261 8.559,1263 10.255,1265 2.221,1267 14.253,1271 7.531,1273 6.081,1275 0.521,1276 2.513,1280 30.957,1281 75.16,1282 164.505,1283 224.054,1284 243.928,1285 251.438,1286 251.438,1287 43.107,1288 7.69,1289 38.25,1290 38.25,1291 24,1292 12.565,1293 4.087,1294 3.17,1295 38.107,1296 95,1297 126,1298 0.193,1299 187.722,1300 319.1,1301 449.801,1302 23716,1303 2,1304 17.933,1305 0.69,1306 0.582,1307 17.062,1308 15.119,1309 12.758,1310 0.44,1311 0.326,1312 9.319,1313 12.292,1314 9.125,1315 7.557,1316 12.348,1317 9.441,1318 11.097,1319 0.277,1320 0.176,1321 10.569,1322 7.049,1323 9.692,1324 0.176,1325 0.094,1326 9.213,1327 5.196,1328 8.293,1329 0.112,1330 0.051,1331 7.96,1332 3.774,1333 7.161,1334 0.072,1335 0.028,1336 6.902,1337 2.778,1338 0.302,1339 79.799,1340 0.224,1341 25.061,1342 0.53,1343 138,1344 408.782,1345 151.341,1346 368.625,1347 507.32,1348 348,1349 164,1350 375.182,1351 178.57,1352 373.22,1353 555.3,1354 353,1355 5} {0 CHEMBL2181171,1 1.382,2 10.96,3 4.287,4 18.376,5 100.218,6 6.71,7 0.571,8 3.995,9 4.121,10 3.494,11 3.55,12 4.951,13 3.506,14 4.579,15 4.772,16 3.828,17 3.954,18 5.46,19 3.882,20 4.86,21 5.101,22 3.911,23 4.098,24 5.666,25 3.996,26 4.911,27 5.173,28 3.818,29 4.04,30 5.725,31 3.924,32 4.805,33 5.063,34 3.685,35 3.966,36 5.599,37 3.838,38 4.709,39 4.968,40 3.522,41 3.905,42 5.46,43 3.752,44 4.658,45 4.925,46 3.442,47 3.845,48 5.373,49 3.682,50 4.572,51 4.833,52 3.372,53 3.764,54 5.304,55 3.602,56 0.042,57 0.723,58 11.497,59 4.821,60 7.348,61 6.728,62 0.221,63 1.209,64 21.805,65 7.937,66 19.194,67 11.447,68 0.219,69 1.506,70 29.429,71 10.56,72 23.218,73 15.44,74 0.395,75 1.493,76 31.836,77 10.759,78 34.485,79 15.615,80 0.329,81 1.329,82 28.409,83 10.134,84 29.52,85 14.533,86 0.212,87 1.239,88 25.388,89 9.497,90 23.602,91 13.755,92 0.215,93 1.171,94 24.119,95 9.237,96 20.939,97 13.347,98 0.158,99 1.089,100 21.994,101 8.352,102 18.548,103 12.2,104 4,105 38,106 0.233,107 0.528,108 0.736,109 0.816,110 0.848,111 0.848,112 3.267,113 1,114 -4.38,115 -4.31,116 -4.07,119 42,120 1,121 3,122 1,125 4,140 6,141 2,143 1,144 2,145 1,169 9,171 1,172 11,178 7,182 10,189 4,192 2,193 8,199 7,202 1,203 5,211 10,215 2,222 9,225 1,226 4,233 9,237 2,244 5,248 1,249 4,256 3,259 933,260 17.577,261 17.577,262 17.577,263 17.577,264 17.577,265 15.765,266 13.489,267 10.679,268 17.919,269 13.835,270 13.835,271 13.835,272 13.835,273 13.835,274 11.122,275 14.867,276 5.01,277 14.403,278 4.262,279 2.515,280 1.281,281 0.805,282 0.615,283 0.615,284 3.974,288 1,289 1,290 606,291 2.739,295 228.127,299 175.325,302 1.568,303 14.059,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 52.5,315 274,316 4.709,317 3.301,318 6.83,319 4.2,320 3.228,321 4.782,322 0.86,323 11.349,324 3.138,325 3.982,326 2.892,327 5.981,328 3.622,329 2.664,330 3.686,331 0.8,332 8.37,333 2.559,334 3.678,335 2.708,336 5.498,337 3.483,338 2.51,339 3.088,341 7.39,342 2.446,343 3.591,344 2.397,345 5.378,346 3.186,347 2.254,348 2.649,350 6.74,351 2.093,352 3.199,353 2.22,354 5.119,355 3.056,356 2.116,357 2.261,359 6.314,360 1.977,361 3.004,362 1.559,363 4.145,364 2.5,365 1.512,366 2.202,368 3.563,369 1.493,370 2.932,371 1.461,372 3.864,373 2.42,374 1.438,375 2.143,377 3.174,378 1.409,379 2.521,380 1.379,381 3.603,382 2.145,383 1.192,384 1.528,386 2.787,387 1.132,388 2.5,389 1.157,390 3.541,391 2.034,392 1.074,393 1.5,395 2.449,396 1.025,397 2.131,398 1.077,399 3.414,400 1.984,401 1,402 1.125,404 2.275,405 0.983,406 2,407 1,408 3.272,409 1.975,410 1,411 1,413 1.989,414 0.972,415 1.766,416 0.837,417 3.049,418 1.51,419 0.595,420 0.679,422 1.339,423 0.539,424 1.22,425 0.088,426 2.677,427 0.905,428 -0.05,429 -0.055,431 -0.103,432 -0.047,433 1.077,434 -0.137,435 2.524,436 0.635,437 -0.316,438 -0.385,440 -0.685,441 -0.298,442 0.847,443 -0.423,444 2.191,445 0.544,446 -0.423,447 -0.634,449 -1.093,450 -0.408,451 12.033,452 0.481,453 0.41,454 0.016,455 30.75,456 1.23,457 14.5,458 0.58,459 16.25,460 0.65,461 21.766,462 0.871,463 26.967,464 0.539,465 19.415,466 0.777,467 5.584,468 0.223,469 6.764,470 0.271,471 0.042,473 0.283,479 0.849,480 1.381,481 0.865,482 1.167,483 0.778,484 1.042,485 1.211,486 1.121,487 0.995,488 0.997,489 0.905,490 0.975,491 1.103,492 1.104,493 0.914,494 1,495 0.798,496 0.944,497 1.486,498 0.881,499 0.972,500 0.874,501 1.105,502 0.876,503 1.422,504 0.878,505 0.987,506 0.888,507 1.187,508 0.903,509 1.094,510 0.972,511 1.069,512 1.021,513 1.227,514 1.04,515 0.898,516 0.926,517 1.012,518 0.997,519 1.084,520 1.017,521 0.866,522 1.114,523 1.047,524 1.108,525 1.028,526 1.099,527 3.5,528 0.095,529 2.444,530 1.188,531 1.302,532 0.569,533 0.401,534 0.236,535 0.135,536 0.119,537 7560,538 14609,539 2.179,540 50,541 3,542 14,544 1,547 7,550 1.679,551 2.113,552 3.376,553 -0.83,555 1,559 69.103,560 1.382,561 3.129,562 4.363,563 4.839,564 5.029,565 5.029,566 2.869,567 4.484,568 4.612,569 3.533,570 1059.86,571 7.969,572 12782.5,574 1,576 1,577 282.193,578 1.078,579 4.606,580 0.125,581 0.007,582 0.064,583 0.03,584 0.037,585 0.018,586 0.015,587 0.01,588 0.006,589 0.007,590 0.319,591 0.33,592 1,593 0.743,594 120.823,595 0.047,596 -0.2,597 0.085,598 -0.074,599 0.098,600 -0.005,601 0.008,602 -0.009,603 -0.002,604 0.008,605 0.101,606 0.003,607 0.002,608 -0.084,609 0.077,610 -0.02,611 0.182,612 0.03,613 0.018,614 0.093,615 0.055,616 0.069,617 0.171,618 0.067,619 -0.031,620 0.076,621 0.025,622 0.082,623 0.024,624 0.061,625 -0.108,627 -0.092,628 -0.035,629 -0.178,630 -0.056,631 -0.021,632 0.029,633 -0.044,634 -0.007,635 -0.145,636 -0.027,637 -0.044,638 -0.146,639 -0.083,640 -0.116,641 -0.132,642 -0.107,643 0.946,644 2.692,645 0.8,646 21.558,647 0.987,648 1.125,649 3.147,650 9.906,651 0.657,652 3.367,653 3.664,654 3.97,655 4.263,656 4.554,657 4.605,658 4.745,659 4.86,660 4.977,661 4.963,662 6.22,663 0.611,664 335.49,665 3.367,666 4.89,667 5.746,668 6.621,669 7.498,670 8.384,671 9.269,672 10.16,673 11.051,674 11.945,675 6,678 1,685 2,687 4,688 7,689 2,693 1,695 16,712 1,714 50,716 16,717 1,718 28,720 53,721 21,722 12,723 2,724 4,730 4,731 7,736 1,740 2,741 1,743 3,745 12,746 9,747 1,761 1,764 25,765 4,767 4,773 3,777 0.5,778 1,786 2,793 4,797 2,815 1,819 2,823 1,827 25,833 7,835 1,837 1,838 1,847 2,852 1,854 11.833,855 9.183,856 5.611,857 3.447,858 3.49,859 1.459,860 0.994,861 4.913,862 11.087,863 3.611,864 4.212,865 4.878,866 5.554,867 6.222,868 6.619,869 7.107,870 7.552,871 7.974,872 8.063,873 1,874 40,875 9.278,877 3.903,878 7.407,879 18.508,881 15.574,883 1.907,884 47.667,886 1,887 1,888 294.278,889 107.492,890 36.695,892 11,895 107.492,896 305.277,897 36.695,898 8.825,899 18.513,900 56.857,901 45.342,902 32.606,903 4.815,904 282.506,906 294.278,907 144.187,908 11,911 211.88,912 93.398,915 43.798,916 66.818,917 33.571,919 294.278,920 47.695,921 107.492,924 294.278,925 32.762,926 77.854,928 44.571,929 294.278,930 47.695,931 107.492,933 0.565,934 0.337,935 0.195,936 0.113,937 19,938 7,939 0.094,940 5,941 2,942 1.2,943 3.808,944 209.713,945 0.2,946 20,947 112.096,951 16.443,952 7.47,953 3.51,954 4.005,955 47.695,956 13.988,957 9.328,961 0.72,964 449.465,965 36,975 49.352,976 56.272,977 0.245,978 0.554,979 0.773,980 0.857,981 0.891,982 0.891,983 4.828,984 1.192,985 5.7,986 3.174,987 4.344,988 4.898,989 1.235,990 6.503,991 4.266,992 6.006,993 1.074,994 7.242,995 2.787,996 3.761,997 4.677,998 0.325,999 7.391,1000 3.651,1001 7.304,1002 1,1003 8.89,1004 2.449,1005 5.911,1006 7.176,1007 0.938,1008 10.531,1009 5.762,1010 8.645,1011 1,1012 10.605,1013 2.275,1014 6.217,1015 7.917,1016 0.268,1017 12.311,1018 6.042,1019 10.028,1020 0.595,1021 12.364,1022 1.989,1023 7.775,1024 9.849,1025 0.732,1026 14.963,1027 7.568,1028 11.443,1029 -0.05,1030 14.155,1031 1.339,1032 8.517,1033 11.045,1034 0.188,1035 17.115,1036 8.288,1037 12.882,1038 -0.316,1039 15.969,1040 -0.103,1041 9.826,1042 12.748,1043 0.57,1044 19.616,1045 9.568,1046 3.228,1047 -0.423,1048 17.801,1049 -0.685,1050 10.786,1051 14.152,1052 0.125,1053 21.926,1054 10.506,1055 2.664,1056 11.349,1057 19.647,1058 -1.093,1059 11.994,1060 15.765,1061 0.438,1062 24.378,1063 11.687,1064 2.51,1065 8.37,1066 21.504,1067 4.782,1068 13.061,1069 17.26,1070 0.082,1071 26.756,1072 12.73,1073 2.254,1074 7.39,1075 23.371,1076 3.686,1077 14.233,1078 18.84,1079 0.334,1080 29.192,1081 13.876,1082 2.116,1083 6.74,1084 25.246,1085 3.088,1086 15.352,1087 20.373,1088 0.054,1089 31.598,1090 14.969,1091 1.512,1092 6.314,1093 27.128,1094 2.649,1095 16.514,1096 21.941,1097 0.252,1098 34.029,1099 16.105,1100 1.438,1101 3.563,1102 29.016,1103 2.261,1104 17.657,1105 23.492,1106 0.035,1107 36.447,1108 17.222,1109 7134,1110 10119,1111 19.474,1112 32.847,1113 41.17,1114 41.475,1115 42.247,1116 41.174,1117 41.165,1118 53.288,1119 3.32,1120 115.479,1121 39.534,1122 5.709,1123 5.301,1124 6.6,1125 5.275,1126 5.228,1127 7.782,1128 1.72,1129 18.882,1130 5.138,1131 6.919,1132 1.47,1133 1.481,1134 1.509,1135 1.471,1136 1.47,1137 1.903,1138 0.119,1139 4.124,1140 1.412,1141 4.152,1142 4.176,1143 4.126,1144 4.074,1145 5.118,1146 4.084,1147 3.887,1148 3.951,1149 3.761,1150 3.742,1151 4.672,1152 3.737,1153 3.706,1154 3.743,1155 3.635,1156 3.631,1157 4.581,1158 3.627,1159 3.571,1160 3.645,1161 3.4,1162 3.416,1163 4.337,1164 3.398,1165 3.326,1166 3.379,1167 3.222,1168 3.115,1169 4.083,1170 3.134,1171 3.135,1172 3.212,1173 2.977,1174 2.961,1175 3.952,1176 2.954,1177 3.111,1178 3.206,1179 2.87,1180 2.941,1181 3.847,1182 2.91,1183 2.97,1184 3.023,1185 2.866,1186 2.855,1187 3.688,1188 2.854,1189 0.168,1190 0.118,1191 0.244,1192 0.15,1193 0.115,1194 4.709,1195 0.171,1196 3.301,1197 0.031,1198 6.83,1199 0.405,1200 4.2,1201 0.112,1202 3.228,1203 4.782,1204 0.86,1205 11.349,1206 3.138,1207 2.1,1208 2.08,1209 2.155,1210 2.191,1211 1.456,1212 2.181,1213 1.862,1214 1.803,1215 2.072,1216 2.04,1217 1.28,1218 2.055,1219 1.706,1220 1.673,1221 1.884,1222 1.81,1223 1.152,1224 1.827,1225 1.589,1226 1.516,1227 1.837,1228 1.779,1229 0.892,1230 1.813,1231 1.256,1232 1.203,1233 1.524,1234 1.522,1235 0.825,1236 1.522,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.765,1242 1.429,1243 1.122,1244 1.053,1245 1.334,1246 1.324,1247 0.469,1248 1.332,1249 0.969,1250 0.918,1251 1.261,1252 1.142,1253 0.381,1254 1.186,1255 4.043,1257 5.342,1259 6.864,1261 8.491,1263 10.177,1265 2.25,1271 8.005,1273 6.192,1275 0.619,1276 2.56,1280 30.574,1281 69.103,1282 156.463,1283 218.154,1284 241.928,1285 251.438,1286 251.438,1287 31.85,1288 7.598,1289 38.25,1290 38.25,1291 24,1292 12.472,1293 4.087,1294 3.17,1295 36.031,1296 91,1297 117,1298 0.191,1299 186.523,1300 313.03,1301 446.877,1302 21489,1304 17.062,1305 0.682,1306 0.593,1307 17.062,1308 14.818,1309 12.348,1310 0.441,1311 0.333,1312 9.239,1313 11.99,1314 9.024,1315 7.497,1316 12.348,1317 9.335,1318 10.569,1319 0.278,1320 0.182,1321 10.569,1322 6.93,1323 9.213,1324 0.177,1325 0.099,1326 9.213,1327 5.122,1328 7.96,1329 0.114,1330 0.053,1331 7.96,1332 3.733,1333 6.902,1334 0.073,1335 0.029,1336 6.902,1337 2.763,1338 0.299,1339 76.469,1340 0.227,1341 24.328,1342 0.52,1343 132,1344 314.671,1345 141.51,1346 306.572,1347 435.31,1348 292,1349 156,1350 330.849,1351 166.814,1352 335.624,1353 497.85,1354 318,1355 5} {0 CHEMBL2181187,1 1.37,2 11.148,3 4.992,4 24.924,5 109.21,6 6.628,7 0.533,8 4.086,9 4.206,10 3.57,11 3.627,12 5.045,13 3.584,14 4.671,15 4.86,16 3.902,17 4.03,18 5.545,19 3.961,20 4.93,21 5.156,22 4.023,23 4.197,24 5.757,25 4.102,26 5.015,27 5.26,28 3.964,29 4.181,30 5.834,31 4.073,32 4.974,33 5.223,34 3.872,35 4.132,36 5.802,37 4.009,38 4.874,39 5.12,40 3.734,41 4.068,42 5.654,43 3.926,44 4.842,45 5.091,46 3.634,47 4.014,48 5.598,49 3.865,50 4.762,51 5.008,52 3.548,53 3.969,54 5.491,55 3.802,56 0.045,57 0.758,58 12.863,59 5.516,60 8.689,61 7.514,62 0.267,63 1.267,64 24.335,65 9.018,66 21.947,67 12.632,68 0.278,69 1.586,70 31.629,71 11.848,72 26.571,73 16.88,74 0.329,75 1.648,76 35.053,77 12.399,78 33.536,79 17.646,80 0.495,81 1.557,82 33.853,83 12.033,84 39.744,85 17.111,86 0.235,87 1.43,88 30.002,89 11.531,90 28.23,91 16.307,92 0.331,93 1.357,94 29.416,95 11.081,96 29.933,97 15.464,98 0.175,99 1.284,100 26.522,101 10.729,102 21.36,103 15.175,104 10,105 41,106 0.227,107 0.512,108 0.721,109 0.798,110 0.844,111 0.85,112 3.34,113 1,114 -5.08,115 -4.98,116 -4.66,119 41.8,120 1,121 3,122 1,124 1,125 4,140 7,141 3,142 1,144 1,145 1,169 13,171 1,172 8,178 12,181 1,182 12,189 9,193 9,199 9,202 2,203 8,211 12,215 3,222 11,225 1,226 4,233 10,237 5,244 7,249 4,256 3,259 1172,260 18.947,261 18.947,262 18.947,263 18.947,264 18.947,265 17.142,266 17.802,267 11.363,268 19.398,269 14.739,270 14.739,271 14.739,272 14.739,273 14.739,274 11.942,275 19.518,276 5.218,277 15.388,278 4.412,279 2.687,280 1.426,281 0.955,282 0.682,283 0.646,284 4.044,288 1,289 1,290 658,291 3,295 247.546,299 190.273,302 1.635,303 15.848,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57,315 301,316 4.747,317 3.36,318 6.902,319 4.249,320 3.272,321 4.823,322 0.86,323 11.609,324 3.2,325 4.136,326 2.956,327 6.231,328 3.676,329 2.715,330 3.86,331 0.86,332 9.192,333 2.609,334 3.709,335 2.869,336 5.641,337 3.607,338 2.646,339 3.158,340 0.8,341 7.464,342 2.549,343 3.623,344 2.593,345 5.483,346 3.241,347 2.31,348 2.653,350 7.256,351 2.144,352 3.244,353 2.284,354 5.127,355 3.109,356 2.152,357 2.523,359 6.347,360 2.047,361 3.178,362 2.015,363 4.842,364 2.76,365 1.808,366 2.206,368 5.097,369 1.715,370 2.933,371 1.49,372 3.995,373 2.426,374 1.439,375 2.143,377 3.355,378 1.419,379 2.727,380 1.382,381 3.874,382 2.256,383 1.281,384 1.826,386 2.892,387 1.243,388 2.514,389 1.375,390 3.59,391 2.137,392 1.168,393 1.52,395 2.796,396 1.127,397 2.139,398 1.154,399 3.414,400 2.035,401 1.062,402 1.132,404 2.275,405 1.028,406 2,407 1.077,408 3.299,409 1.984,410 1,411 1,413 2.011,414 0.983,415 1.896,416 0.963,417 3.135,418 1.611,419 0.705,420 0.815,422 1.524,423 0.632,424 1.613,425 0.84,426 2.927,427 1.349,428 0.458,429 0.515,431 0.812,432 0.403,433 1.194,434 0.168,435 2.632,436 0.897,437 -0.045,438 -0.05,440 -0.089,441 -0.043,442 1.073,443 -0.056,444 2.53,445 0.649,446 -0.292,447 -0.342,449 -0.586,450 -0.271,451 12.967,452 0.48,453 0.462,454 0.017,455 32.25,456 1.194,457 15,458 0.556,459 17.25,460 0.639,461 24.956,462 0.924,463 29.633,464 0.539,465 21.982,466 0.814,467 6.002,468 0.222,469 7.294,470 0.27,471 0.077,473 0.301,479 0.86,480 1.356,481 0.881,482 1.194,483 0.814,484 1.063,485 1.294,486 1.019,487 0.991,488 0.929,489 1.01,490 0.923,491 0.955,492 1.067,493 0.9,494 0.999,495 0.718,496 0.947,497 1.336,498 1,499 0.98,500 0.956,501 1.108,502 0.929,503 1.213,504 0.875,505 0.999,506 0.892,507 1.185,508 0.915,509 1.015,510 1.056,511 1.035,512 1.084,513 1.081,514 1.065,515 1.322,516 0.89,517 1.107,518 0.96,519 1.365,520 1.01,521 0.79,522 1.188,523 1.083,524 1.206,525 0.952,526 1.188,527 4,528 0.132,529 2.889,530 1.375,531 1.653,532 0.889,533 0.463,534 0.342,535 0.205,536 0.129,537 8878,538 17373,539 2.142,540 50.9,541 3,542 18,547 7,550 1.702,551 2.051,552 3.393,553 -0.843,559 75.327,560 1.37,561 3.094,562 4.355,563 4.826,564 5.099,565 5.136,566 2.876,567 4.357,568 4.721,569 3.567,570 1251.89,571 8.204,572 15882.7,574 1,577 317.975,578 1.218,579 4.706,580 0.133,581 0.008,582 0.07,583 0.031,584 0.04,585 0.024,586 0.014,587 0.012,588 0.008,589 0.006,590 0.346,591 0.33,592 1,593 0.908,594 133.465,595 0.037,596 -0.174,597 0.084,598 -0.079,599 0.077,600 -0.006,601 -0.044,602 0.088,603 0.019,604 0.086,605 0.045,606 0.063,607 0.064,608 -0.022,609 0.088,611 0.227,612 0.041,613 -0.068,614 0.004,615 0.034,616 0.008,617 0.077,618 0.032,619 0.076,620 0.114,621 0.015,622 0.07,623 0.059,624 0.044,625 -0.046,626 -0.071,627 -0.058,628 -0.088,629 -0.052,630 -0.075,631 -0.131,632 0.077,633 -0.11,634 0.024,635 -0.224,636 -0.034,637 -0.029,638 -0.217,639 -0.131,640 -0.188,641 -0.132,642 -0.177,643 0.946,644 2.776,645 0.741,646 24.645,647 0.988,648 1.124,649 3.849,650 14.815,651 0.651,652 3.434,653 3.738,654 4.06,655 4.357,656 4.654,657 4.745,658 4.905,659 5.024,660 5.142,661 5.147,662 6.387,663 0.606,664 364.53,665 3.434,666 4.963,667 5.826,668 6.708,669 7.593,670 8.487,671 9.381,672 10.28,673 11.181,674 12.083,675 3.6,678 1,685 1,687 4,688 7,689 1,693 2,695 16,712 2,714 55,716 16,717 2,718 30,720 58,721 23,722 13,723 5,724 7,730 4,731 7,736 1,740 2,741 1,743 3,745 13,746 10,747 1,764 28,765 4,767 4,773 2,777 0.5,778 2,786 1,793 4,797 2,815 1,819 2,823 2,827 27,833 7,835 2,837 1,838 1,847 3.6,852 2,854 13.167,855 10.4,856 6.139,857 3.685,858 3.486,859 1.448,860 0.982,861 5.678,862 11.26,863 3.664,864 4.27,865 4.95,866 5.629,867 6.302,868 6.736,869 7.242,870 7.69,871 8.117,872 8.257,873 1,874 45,875 10.019,877 4.185,878 7.42,879 19.947,881 16.659,883 1.92,884 51.833,886 1,887 1,888 329.591,889 124.476,890 19.91,892 22,895 124.476,896 351.591,897 19.91,898 19.708,899 18.513,900 66.334,901 16.786,902 40.231,903 4.815,904 329.591,906 329.591,907 144.386,908 22,911 247.193,912 104.397,915 32.607,916 94.994,917 16.786,919 329.591,920 41.91,921 124.476,924 329.591,925 38.434,926 89.166,928 38.785,929 329.591,930 41.91,931 124.476,933 0.565,934 0.345,935 0.199,936 0.114,937 20,938 8,939 0.103,940 6,941 2,942 1.2,943 3.902,944 235.496,945 0.2,946 20,947 122.382,951 18.367,952 8.347,953 3.84,954 4.201,955 41.91,956 14.41,957 4.845,961 1.509,964 495.977,965 38,975 54.345,976 61.813,977 0.237,978 0.535,979 0.753,980 0.835,981 0.882,982 0.888,983 4.89,984 1.281,985 5.79,986 3.355,987 4.419,988 4.956,989 1.593,990 6.613,991 4.34,992 6.075,993 1.168,994 7.348,995 2.892,996 3.892,997 4.796,998 0.325,999 7.554,1000 3.782,1001 7.383,1002 1.062,1003 9.012,1004 2.796,1005 6.009,1006 7.25,1007 1.294,1008 10.693,1009 5.864,1010 8.735,1011 1,1012 10.741,1013 2.275,1014 6.365,1015 8.034,1016 0.268,1017 12.507,1018 6.195,1019 10.128,1020 0.705,1021 12.514,1022 2.011,1023 7.898,1024 9.939,1025 1.061,1026 15.169,1027 7.704,1028 11.552,1029 0.458,1030 14.317,1031 1.524,1032 8.677,1033 11.161,1034 0.188,1035 17.344,1036 8.464,1037 13,1038 -0.045,1039 16.142,1040 0.812,1041 9.974,1042 12.852,1043 0.861,1044 19.856,1045 9.741,1046 3.272,1047 -0.292,1048 17.984,1049 -0.089,1050 10.96,1051 14.27,1052 0.125,1053 22.185,1054 10.709,1055 2.715,1056 11.609,1057 19.839,1058 -0.586,1059 12.166,1060 15.88,1061 0.69,1062 24.65,1063 11.898,1064 2.646,1065 9.192,1066 21.705,1067 4.823,1068 13.25,1069 17.384,1070 0.082,1071 27.045,1072 12.965,1073 2.31,1074 7.464,1075 23.581,1076 3.86,1077 14.427,1078 18.965,1079 0.544,1080 29.497,1081 14.123,1082 2.152,1083 7.256,1084 25.464,1085 3.158,1086 15.558,1087 20.506,1088 0.054,1089 31.921,1090 15.237,1091 1.808,1092 6.347,1093 27.354,1094 2.653,1095 16.729,1096 22.078,1097 0.424,1098 34.369,1099 16.389,1100 1.439,1101 5.097,1102 29.249,1103 2.523,1104 17.884,1105 23.635,1106 0.035,1107 36.807,1108 17.525,1109 8477,1110 12064,1111 20.572,1112 35.819,1113 43.985,1114 44.719,1115 45.852,1116 44.005,1117 44.033,1118 56.347,1119 5.04,1120 125.262,1121 42.2,1122 5.747,1123 5.36,1124 6.672,1125 5.327,1126 5.272,1127 7.823,1128 1.72,1129 19.223,1130 5.2,1131 9.97,1132 1.466,1133 1.491,1134 1.528,1135 1.467,1136 1.468,1137 1.878,1138 0.168,1139 4.175,1140 1.407,1141 4.167,1142 4.184,1143 4.141,1144 4.109,1145 5.092,1146 4.114,1147 3.888,1148 3.951,1149 3.762,1150 3.742,1151 4.719,1152 3.737,1153 3.735,1154 3.76,1155 3.67,1156 3.664,1157 4.545,1158 3.661,1159 3.572,1160 3.645,1161 3.402,1162 3.417,1163 4.367,1164 3.399,1165 3.338,1166 3.387,1167 3.232,1168 3.143,1169 4.325,1170 3.16,1171 3.255,1172 3.318,1173 3.09,1174 3.007,1175 4.08,1176 3.016,1177 3.138,1178 3.216,1179 2.976,1180 2.951,1181 3.951,1182 2.947,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.72,1188 2.91,1189 0.158,1190 0.112,1191 0.23,1192 0.142,1193 0.109,1194 4.747,1195 0.161,1196 3.36,1197 0.029,1198 6.902,1199 0.387,1200 4.249,1201 0.107,1202 3.272,1203 4.823,1204 0.86,1205 11.609,1206 3.2,1207 2.126,1208 2.111,1209 2.18,1210 2.197,1211 1.456,1212 2.191,1213 1.862,1214 1.803,1215 2.072,1216 2.04,1217 1.339,1218 2.055,1219 1.73,1220 1.706,1221 1.884,1222 1.831,1223 1.152,1224 1.84,1225 1.589,1226 1.516,1227 1.856,1228 1.781,1229 0.933,1230 1.818,1231 1.273,1232 1.225,1233 1.57,1234 1.527,1235 0.825,1236 1.529,1237 1.203,1238 1.136,1239 1.527,1240 1.508,1241 0.768,1242 1.526,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.575,1248 1.429,1249 1.126,1250 1.053,1251 1.342,1252 1.33,1253 0.472,1254 1.34,1255 4.111,1257 5.416,1259 6.946,1261 8.584,1263 10.281,1265 3.941,1271 7.949,1273 11.813,1275 0.604,1276 2.561,1280 33.321,1281 75.327,1282 170.168,1283 239.529,1284 265.445,1285 280.465,1286 282.465,1287 36.974,1288 7.774,1289 34.59,1290 34.59,1291 24,1292 12.604,1293 4.087,1294 3.17,1295 40.224,1296 100,1297 135,1298 0.193,1299 202.91,1300 345.42,1301 486.86,1302 26135,1304 18.64,1305 0.69,1306 0.603,1307 18.64,1308 16.279,1309 13.296,1310 0.443,1311 0.333,1312 9.882,1313 12.856,1314 9.608,1315 8.005,1316 13.296,1317 10.004,1318 11.288,1319 0.275,1320 0.181,1321 11.288,1322 7.415,1323 10.006,1324 0.176,1325 0.098,1326 10.006,1327 5.583,1328 8.627,1329 0.112,1330 0.053,1331 8.627,1332 4.086,1333 7.42,1334 0.071,1335 0.029,1336 7.42,1337 3.018,1338 0.301,1339 82.822,1340 0.22,1341 25.84,1342 0.532,1343 142,1344 350.761,1345 152.667,1346 335.695,1347 473.94,1348 320,1349 169,1350 355.93,1351 181.028,1352 361.979,1353 536.85,1354 341,1355 5.59} {0 CHEMBL2181188,1 1.433,2 11.038,3 5.673,4 32.185,5 107.551,6 7.234,7 0.552,8 4.012,9 4.131,10 3.571,11 3.605,12 4.965,13 3.552,14 4.598,15 4.781,16 3.939,17 4.023,18 5.486,19 3.942,20 4.893,21 5.121,22 4.075,23 4.186,24 5.732,25 4.074,26 4.947,27 5.195,28 3.988,29 4.14,30 5.766,31 4.014,32 4.858,33 5.105,34 3.905,35 4.055,36 5.705,37 3.923,38 4.747,39 4.994,40 3.753,41 3.996,42 5.537,43 3.837,44 4.704,45 4.956,46 3.63,47 3.941,48 5.468,49 3.767,50 4.604,51 4.846,52 3.56,53 3.865,54 5.354,55 3.691,56 0.034,57 0.694,58 11.109,59 5.009,60 6.163,61 6.822,62 0.209,63 1.188,64 22.232,65 8.586,66 18.267,67 11.878,68 0.258,69 1.503,70 32.91,71 11.823,72 26.808,73 16.465,74 0.318,75 1.519,76 35.649,77 12.31,78 31.626,79 16.867,80 0.435,81 1.369,82 33.599,83 11.488,84 37.226,85 15.635,86 0.213,87 1.251,88 29.159,89 10.71,90 25.623,91 14.781,92 0.261,93 1.176,94 30.34,95 10.526,96 26.904,97 14.407,98 0.153,99 1.081,100 25.561,101 9.642,102 18.547,103 13.302,104 7,105 40,106 0.241,107 0.529,108 0.71,109 0.795,110 0.845,111 0.851,112 3.304,113 1.03,114 -5.89,115 -5.74,116 -5.35,119 43.1,120 1,121 3,122 1,125 4,140 7,141 3,142 1,144 1,145 1,169 13,171 1,172 7,178 13,182 11,189 11,193 7,199 11,202 1,203 7,211 14,215 1,222 13,225 1,226 2,233 12,237 3,244 9,249 4,256 3,259 1044,260 18.077,261 18.077,262 18.077,263 18.077,264 18.077,265 16.22,266 15.09,267 10.841,268 18.468,269 14.302,270 14.302,271 14.302,272 14.302,273 14.302,274 11.514,275 15.508,276 5.065,277 15.01,278 4.239,279 2.522,280 1.445,281 0.937,282 0.642,283 0.603,284 4.008,285 1,289 1,290 631,291 2.828,295 237.331,299 182.323,302 1.58,303 15.905,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 54.333,315 287,316 4.743,317 3.38,318 6.892,319 4.239,320 3.266,321 4.821,322 0.86,323 11.559,324 3.181,325 4.116,326 2.997,327 6.186,328 3.642,329 2.692,330 3.846,331 0.8,332 8.983,333 2.563,334 3.704,335 2.876,336 5.605,337 3.591,338 2.636,339 3.151,341 7.429,342 2.503,343 3.62,344 2.6,345 5.481,346 3.227,347 2.3,348 2.652,350 7.165,351 2.116,352 3.222,353 2.284,354 5.125,355 3.099,356 2.146,357 2.487,359 6.342,360 2.027,361 3.163,362 1.992,363 4.706,364 2.682,365 1.745,366 2.206,368 4.734,369 1.6,370 2.933,371 1.485,372 3.96,373 2.426,374 1.439,375 2.143,377 3.349,378 1.419,379 2.696,380 1.38,381 3.87,382 2.206,383 1.246,384 1.783,386 2.842,387 1.168,388 2.514,389 1.311,390 3.588,391 2.127,392 1.156,393 1.52,395 2.795,396 1.111,397 2.136,398 1.151,399 3.414,400 2.034,401 1.06,402 1.13,404 2.275,405 1.027,406 2,407 1.077,408 3.291,409 1.984,410 1,411 1,413 2.006,414 0.983,415 1.827,416 0.885,417 3.094,418 1.555,419 0.65,420 0.743,422 1.458,423 0.576,424 1.361,425 0.484,426 2.79,427 0.993,428 0.088,429 0.104,431 0.206,432 0.072,433 1.11,434 0.027,435 2.607,436 0.722,437 -0.198,438 -0.217,440 -0.384,441 -0.171,442 0.855,443 -0.219,444 2.336,445 0.591,446 -0.385,447 -0.537,449 -0.932,450 -0.366,451 12.848,452 0.494,453 0.5,454 0.019,455 31,456 1.192,457 14.5,458 0.558,459 16.5,460 0.635,461 24.474,462 0.941,463 27.952,464 0.548,465 19.973,466 0.768,467 5.59,468 0.215,469 7.168,470 0.276,471 0.095,473 0.304,479 0.748,480 1.295,481 0.689,482 1.042,483 0.682,484 0.981,485 1.041,486 1.069,487 0.782,488 0.908,489 0.749,490 0.929,491 0.963,492 1.052,493 0.814,494 0.951,495 0.695,496 0.918,497 1.401,498 0.929,499 0.857,500 0.858,501 1.038,502 0.867,503 1.269,504 0.86,505 0.867,506 0.862,507 1.044,508 0.878,509 1.019,510 0.998,511 0.938,512 0.975,513 1.053,514 1.003,515 1.082,516 0.885,517 1.194,518 1.018,519 1.261,520 1.029,521 0.823,522 1.139,523 1.031,524 1.13,525 0.96,526 1.122,527 4,528 0.124,529 2.889,530 1.375,531 1.613,532 0.799,533 0.423,534 0.326,535 0.184,536 0.129,537 8161,538 17288,539 2.148,540 49,541 3,542 15,547 7,550 1.69,551 2.053,552 3.368,553 -0.836,559 73.09,560 1.433,561 3.15,562 4.228,563 4.736,564 5.03,565 5.069,566 2.855,567 4.316,568 4.668,569 3.542,570 1151.08,571 8.089,572 14212.1,577 289.294,578 1.239,579 4.65,580 0.138,581 0.008,582 0.072,583 0.032,584 0.042,585 0.023,586 0.015,587 0.013,588 0.008,589 0.006,590 0.358,591 0.5,592 0.88,593 0.827,594 126.998,595 0.027,596 -0.142,597 0.045,598 -0.044,599 0.038,600 0.006,601 0.011,602 0.039,603 0.022,604 0.048,605 0.089,606 0.025,607 0.058,608 -0.027,609 0.089,610 0.012,611 0.214,612 0.048,613 -0.078,614 0.057,615 0.067,616 0.089,617 0.072,618 0.083,619 0.09,620 0.108,621 0.078,622 0.097,623 0.117,624 0.079,625 -0.061,626 -0.023,627 0.003,628 0.004,629 -0.055,630 -0.022,631 -0.079,632 0.071,633 -0.102,634 -0.015,635 -0.176,636 -0.037,637 -0.026,638 -0.184,639 -0.067,640 -0.128,641 -0.102,642 -0.121,643 0.994,644 2.729,645 0.769,646 22.935,647 0.989,648 1.12,649 4.657,650 21.686,651 0.676,652 3.401,653 3.714,654 4.025,655 4.317,656 4.615,657 4.691,658 4.836,659 4.949,660 5.069,661 5.063,662 6.275,663 0.626,664 368.94,665 3.401,666 4.934,667 5.796,668 6.678,669 7.562,670 8.454,671 9.347,672 10.244,673 11.142,674 12.043,675 3.9,678 1,685 1,687 4,688 7,689 1,693 2,695 16,712 1,713 1,714 51,716 16,717 2,718 29,720 54,721 22,722 13,723 5,724 7,730 4,731 7,732 1,736 1,740 2,741 1,743 3,745 13,746 9,747 1,764 25,765 3,767 4,768 1,773 2,777 0.5,778 1,786 1,793 4,797 2,815 1,819 2,823 1,824 1,827 26,833 7,835 1,837 1,838 1,846 1,847 2,852 1,854 12.667,855 9.376,856 5.806,857 3.512,858 3.488,859 1.454,860 0.995,861 5.395,862 11.178,863 3.638,864 4.256,865 4.928,866 5.605,867 6.277,868 6.701,869 7.196,870 7.637,871 8.065,872 8.182,873 1,874 43,875 9.649,877 4.081,878 7.44,879 19.198,881 16.249,883 1.94,884 50.444,888 294.278,889 111.85,890 19.91,891 39.149,892 11,895 111.85,896 344.426,897 19.91,898 8.825,899 18.513,900 66.334,901 16.786,902 27.488,903 4.815,904 294.278,905 39.149,906 294.278,907 131.76,908 11,909 39.149,911 211.88,912 93.398,915 32.607,916 82.368,917 55.934,919 294.278,920 30.91,921 150.999,924 294.278,925 36.691,926 78.283,928 66.934,929 294.278,930 30.91,931 150.999,933 0.571,934 0.342,935 0.195,936 0.112,937 20,938 8,939 0.093,940 5,941 2,942 1.2,943 3.836,944 223.472,945 0.2,946 20,947 118.211,951 17.724,952 7.915,953 3.738,954 4.104,955 30.91,956 14.228,957 4.767,961 1.378,964 476.186,965 37,975 50.458,976 57.132,977 0.253,978 0.555,979 0.745,980 0.835,981 0.887,982 0.894,983 4.868,984 1.246,985 5.765,986 3.349,987 4.394,988 4.942,989 1.235,990 6.586,991 4.301,992 6.059,993 1.156,994 7.323,995 2.842,996 3.892,997 4.796,998 0.325,999 7.516,1000 3.726,1001 7.368,1002 1.06,1003 8.987,1004 2.795,1005 5.984,1006 7.24,1007 0.938,1008 10.656,1009 5.816,1010 8.721,1011 1,1012 10.715,1013 2.275,1014 6.347,1015 8.027,1016 0.268,1017 12.459,1018 6.124,1019 10.114,1020 0.65,1021 12.486,1022 2.006,1023 7.873,1024 9.93,1025 0.732,1026 15.123,1027 7.645,1028 11.537,1029 0.088,1030 14.287,1031 1.458,1032 8.653,1033 11.153,1034 0.188,1035 17.29,1036 8.387,1037 12.985,1038 -0.198,1039 16.11,1040 0.206,1041 9.948,1042 12.844,1043 0.57,1044 19.803,1045 9.67,1046 3.266,1047 -0.385,1048 17.951,1049 -0.384,1050 10.932,1051 14.262,1052 0.125,1053 22.128,1054 10.627,1055 2.692,1056 11.559,1057 19.805,1058 -0.932,1059 12.137,1060 15.872,1061 0.438,1062 24.592,1063 11.817,1064 2.636,1065 8.983,1066 21.67,1067 4.821,1068 13.22,1069 17.376,1070 0.082,1071 26.983,1072 12.876,1073 2.3,1074 7.429,1075 23.545,1076 3.846,1077 14.396,1078 18.957,1079 0.334,1080 29.433,1081 14.034,1082 2.146,1083 7.165,1084 25.427,1085 3.151,1086 15.526,1087 20.497,1088 0.054,1089 31.854,1090 15.142,1091 1.745,1092 6.342,1093 27.316,1094 2.652,1095 16.696,1096 22.069,1097 0.252,1098 34.3,1099 16.291,1100 1.439,1101 4.734,1102 29.21,1103 2.487,1104 17.85,1105 23.626,1106 0.035,1107 36.734,1108 17.422,1109 7752,1110 11521,1111 19.879,1112 34.461,1113 42.896,1114 43.785,1115 44.275,1116 42.956,1117 42.852,1118 55.173,1119 3.32,1120 122.287,1121 40.692,1122 5.743,1123 5.38,1124 6.662,1125 5.317,1126 5.266,1127 7.821,1128 1.72,1129 19.159,1130 5.181,1131 9.575,1132 1.479,1133 1.51,1134 1.527,1135 1.481,1136 1.478,1137 1.903,1138 0.114,1139 4.217,1140 1.403,1141 4.166,1142 4.183,1143 4.184,1144 4.114,1145 5.117,1146 4.116,1147 3.888,1148 3.951,1149 3.807,1150 3.742,1151 4.768,1152 3.738,1153 3.725,1154 3.752,1155 3.754,1156 3.675,1157 4.545,1158 3.665,1159 3.572,1160 3.645,1161 3.402,1162 3.417,1163 4.342,1164 3.399,1165 3.338,1166 3.387,1167 3.297,1168 3.143,1169 4.301,1170 3.16,1171 3.138,1172 3.216,1173 3.232,1174 2.966,1175 4.08,1176 2.958,1177 3.111,1178 3.206,1179 2.977,1180 2.941,1181 3.95,1182 2.911,1183 3.004,1184 3.04,1185 2.866,1186 2.923,1187 3.701,1188 2.91,1189 0.164,1190 0.117,1191 0.238,1192 0.146,1193 0.113,1194 4.743,1195 0.166,1196 3.38,1197 0.03,1198 6.892,1199 0.399,1200 4.239,1201 0.11,1202 3.266,1203 4.821,1204 0.86,1205 11.559,1206 3.181,1207 2.127,1208 2.112,1209 2.176,1210 2.191,1211 1.456,1212 2.188,1213 1.862,1214 1.803,1215 2.072,1216 2.04,1217 1.338,1218 2.055,1219 1.728,1220 1.703,1221 1.884,1222 1.806,1223 1.152,1224 1.827,1225 1.589,1226 1.516,1227 1.841,1228 1.781,1229 0.929,1230 1.816,1231 1.273,1232 1.225,1233 1.527,1234 1.527,1235 0.825,1236 1.527,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.767,1242 1.429,1243 1.126,1244 1.054,1245 1.342,1246 1.33,1247 0.472,1248 1.341,1249 1.001,1250 0.964,1251 1.261,1252 1.144,1253 0.386,1254 1.187,1255 4.078,1257 5.389,1259 6.921,1261 8.559,1263 10.255,1265 2.247,1266 6.4,1271 7.933,1273 6.229,1275 0.602,1276 2.556,1280 31.907,1281 73.09,1282 160.667,1283 215.603,1284 241.519,1285 256.539,1286 258.539,1287 36.174,1288 7.69,1289 25.36,1290 25.36,1291 24,1292 12.565,1293 4.087,1294 3.17,1295 38.107,1296 95,1297 126,1298 0.193,1299 197.654,1300 334.54,1301 474.037,1302 23716,1303 2,1304 17.933,1305 0.69,1306 0.616,1307 18.433,1308 16.005,1309 12.758,1310 0.44,1311 0.343,1312 9.531,1313 12.18,1314 9.266,1315 7.679,1316 13.047,1317 9.959,1318 11.097,1319 0.277,1320 0.19,1321 11.467,1322 7.602,1323 9.692,1324 0.176,1325 0.103,1326 10.05,1327 5.656,1328 8.293,1329 0.112,1330 0.056,1331 8.586,1332 4.129,1333 7.161,1334 0.072,1335 0.031,1336 7.426,1337 3.052,1338 0.302,1339 81.654,1340 0.224,1341 25.061,1342 0.53,1343 138,1344 329.229,1345 161.308,1346 351.511,1347 484.96,1348 332,1349 164,1350 342.247,1351 185.018,1352 358.028,1353 532.86,1354 339,1355 5.627} {0 CHEMBL2181189,1 1.433,2 11.038,3 5.214,4 27.189,5 102.963,6 6.912,7 0.552,8 4.016,9 4.137,10 3.532,11 3.58,12 5.009,13 3.54,14 4.602,15 4.787,16 3.884,17 3.99,18 5.543,19 3.924,20 4.899,21 5.132,22 3.997,23 4.143,24 5.825,25 4.051,26 4.952,27 5.205,28 3.906,29 4.09,30 5.84,31 3.988,32 4.865,33 5.115,34 3.807,35 4.009,36 5.805,37 3.896,38 4.754,39 5.005,40 3.649,41 3.937,42 5.632,43 3.805,44 4.714,45 4.975,46 3.541,47 3.876,48 5.581,49 3.735,50 4.611,51 4.86,52 3.471,53 3.81,54 5.442,55 3.663,56 0.023,57 0.777,58 11.324,59 5.143,60 5.778,61 6.824,62 0.201,63 1.303,64 21.921,65 8.57,66 20.1,67 11.727,68 0.292,69 1.684,70 30.734,71 11.5,72 37.217,73 15.984,74 0.332,75 1.657,76 33.329,77 11.765,78 38.439,79 16.215,80 0.512,81 1.496,82 30.795,83 11.008,84 50.782,85 15.103,86 0.226,87 1.407,88 26.89,89 10.292,90 33.729,91 14.133,92 0.307,93 1.374,94 26.348,95 9.978,96 41.461,97 13.436,98 0.172,99 1.229,100 23.135,101 9.257,102 25.427,103 12.653,104 7,105 40,106 0.241,107 0.529,108 0.71,109 0.795,110 0.845,111 0.851,112 3.304,113 0.991,114 -5.78,115 -5.64,116 -5.26,119 43.1,120 1,121 3,122 1,125 4,140 7,141 3,142 1,144 1,145 1,169 13,171 1,172 7,178 12,182 10,189 9,193 7,199 9,202 1,203 6,211 12,215 1,222 11,225 1,226 2,233 10,237 3,244 7,249 4,256 3,259 1044,260 18.077,261 18.077,262 18.077,263 18.077,264 18.077,265 16.22,266 15.117,267 10.841,268 18.408,269 14.302,270 14.302,271 14.302,272 14.302,273 14.302,274 11.514,275 15.53,276 5.065,277 14.881,278 4.239,279 2.522,280 1.445,281 0.937,282 0.642,283 0.603,284 4.008,288 1,289 1,290 631,291 2.828,295 237.331,299 182.323,302 1.58,303 22.382,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 55.5,315 287,316 4.743,317 3.376,318 6.892,319 4.243,320 3.266,321 4.821,322 0.86,323 11.559,324 3.193,325 4.116,326 2.987,327 6.186,328 3.651,329 2.692,330 3.846,331 0.8,332 8.983,333 2.58,334 3.704,335 2.874,336 5.605,337 3.598,338 2.636,339 3.151,341 7.429,342 2.54,343 3.62,344 2.597,345 5.481,346 3.231,347 2.3,348 2.652,350 7.165,351 2.131,352 3.222,353 2.283,354 5.125,355 3.102,356 2.146,357 2.487,359 6.342,360 2.04,361 3.163,362 1.985,363 4.706,364 2.704,365 1.745,366 2.206,368 4.734,369 1.663,370 2.933,371 1.484,372 3.96,373 2.426,374 1.439,375 2.143,377 3.349,378 1.419,379 2.696,380 1.38,381 3.87,382 2.218,383 1.246,384 1.783,386 2.842,387 1.202,388 2.514,389 1.307,390 3.588,391 2.13,392 1.156,393 1.52,395 2.795,396 1.122,397 2.136,398 1.151,399 3.414,400 2.035,401 1.06,402 1.13,404 2.275,405 1.028,406 2,407 1.077,408 3.291,409 1.984,410 1,411 1,413 2.006,414 0.983,415 1.827,416 0.884,417 3.094,418 1.56,419 0.65,420 0.743,422 1.458,423 0.586,424 1.361,425 0.474,426 2.79,427 1.016,428 0.088,429 0.104,431 0.206,432 0.08,433 1.11,434 0.025,435 2.607,436 0.741,437 -0.198,438 -0.217,440 -0.384,441 -0.184,442 0.855,443 -0.221,444 2.336,445 0.594,446 -0.385,447 -0.537,449 -0.932,450 -0.375,451 12.419,452 0.478,453 0.5,454 0.019,455 31,456 1.192,457 14.5,458 0.558,459 16.5,460 0.635,461 23.547,462 0.906,463 28.381,464 0.556,465 20.901,466 0.804,467 5.721,468 0.22,469 7.037,470 0.271,471 0.063,473 0.314,477 1,479 0.656,480 1.158,481 0.817,482 1.129,483 0.537,484 1.023,485 0.871,486 1.003,487 0.93,488 0.992,489 0.579,490 0.97,491 0.874,492 0.98,493 0.877,494 0.985,495 0.686,496 0.938,497 1.189,498 0.931,499 0.941,500 0.915,501 0.828,502 0.891,503 1.065,504 0.856,505 0.948,506 0.878,507 0.822,508 0.895,509 0.972,510 1.029,511 1.004,512 1.041,513 0.918,514 1.031,515 1.196,516 0.972,517 1.08,518 0.961,519 1.363,520 0.997,521 0.889,522 1.122,523 1.04,524 1.145,525 1.008,526 1.128,527 4,528 0.124,529 2.889,530 1.375,531 1.613,532 0.799,533 0.423,534 0.326,535 0.184,536 0.129,537 8161,538 17288,539 2.148,540 49,541 3,542 15,547 7,550 1.69,551 2.053,552 3.368,553 -0.836,559 73.09,560 1.433,561 3.15,562 4.228,563 4.736,564 5.03,565 5.069,566 2.855,567 4.316,568 4.668,569 3.542,570 1151.08,571 8.089,572 14212.1,577 289.294,578 1.239,579 4.65,580 0.138,581 0.008,582 0.072,583 0.032,584 0.042,585 0.023,586 0.015,587 0.013,588 0.008,589 0.006,590 0.358,591 0.5,592 0.88,593 0.827,594 126.998,595 0.012,596 -0.112,597 0.069,598 -0.045,599 0.007,600 0.008,601 0.002,602 -0.013,603 0.011,604 0.012,605 0.049,606 0.013,607 0.059,608 -0.014,609 0.093,610 -0.005,611 0.124,612 0.04,613 -0.062,614 -0.018,615 0.062,616 0.035,617 0.033,618 0.064,619 0.108,620 0.061,621 0.059,622 0.081,623 0.099,624 0.066,625 -0.045,626 -0.082,627 -0.033,628 -0.057,629 -0.007,630 -0.046,631 -0.089,632 0.072,633 -0.081,634 0.024,635 -0.124,636 -0.018,637 -0.031,638 -0.155,639 -0.082,640 -0.139,641 -0.072,642 -0.126,643 1.967,644 6.281,645 0.769,646 22.935,647 0.993,648 1.128,649 4.55,650 20.701,651 0.658,652 3.401,653 3.714,654 4.025,655 4.317,656 4.615,657 4.691,658 4.836,659 4.949,660 5.069,661 5.063,662 6.275,663 0.617,664 352.49,665 3.401,666 4.934,667 5.796,668 6.678,669 7.562,670 8.454,671 9.347,672 10.244,673 11.142,674 12.043,675 3.9,678 1,685 1,687 4,688 7,689 1,693 2,695 16,712 1,713 1,714 51,716 16,717 2,718 29,720 54,721 22,722 13,723 5,724 7,730 4,731 7,736 1,740 2,741 1,743 3,745 13,746 9,747 1,762 1,764 25,765 4,767 4,773 2,777 0.5,778 1,786 1,793 4,797 2,815 1,819 2,823 1,825 1,827 26,833 7,835 1,837 1,838 1,846 1,847 2,852 1,854 12.667,855 9.376,856 5.806,857 3.512,858 3.488,859 1.454,860 0.998,861 5.146,862 11.178,863 3.638,864 4.256,865 4.928,866 5.605,867 6.277,868 6.701,869 7.196,870 7.637,871 8.065,872 8.182,873 1,874 43,875 9.702,877 4.166,878 7.59,879 19.058,881 16.14,883 2.09,884 54.333,888 294.278,889 117.471,890 19.91,892 11,893 14.96,895 117.471,896 305.277,897 34.87,898 8.825,899 18.513,900 66.334,901 16.786,902 33.108,903 19.775,904 294.278,906 294.278,907 137.381,908 25.96,911 226.84,912 93.398,915 32.607,916 87.988,917 16.786,919 309.238,920 30.91,921 117.471,924 294.278,925 42.312,926 78.283,928 42.746,929 294.278,930 45.87,931 117.471,933 0.571,934 0.342,935 0.195,936 0.112,937 20,938 8,939 0.093,940 5,941 2,942 1.2,943 3.836,944 223.472,945 0.2,946 20,947 118.211,951 17.391,952 7.693,953 3.609,954 3.165,955 45.87,956 13.07,957 4.524,961 0.25,964 457.618,965 37,975 50.647,976 57.528,977 0.253,978 0.555,979 0.745,980 0.835,981 0.887,982 0.894,983 4.868,984 1.246,985 5.765,986 3.349,987 4.394,988 4.942,989 1.235,990 6.586,991 4.317,992 6.059,993 1.156,994 7.323,995 2.842,996 3.892,997 4.796,998 0.325,999 7.516,1000 3.768,1001 7.368,1002 1.06,1003 8.987,1004 2.795,1005 5.984,1006 7.24,1007 0.938,1008 10.656,1009 5.841,1010 8.721,1011 1,1012 10.715,1013 2.275,1014 6.347,1015 8.027,1016 0.268,1017 12.459,1018 6.169,1019 10.114,1020 0.65,1021 12.486,1022 2.006,1023 7.873,1024 9.93,1025 0.732,1026 15.123,1027 7.678,1028 11.537,1029 0.088,1030 14.287,1031 1.458,1032 8.653,1033 11.153,1034 0.188,1035 17.29,1036 8.433,1037 12.985,1038 -0.198,1039 16.11,1040 0.206,1041 9.948,1042 12.844,1043 0.57,1044 19.803,1045 9.711,1046 3.266,1047 -0.385,1048 17.951,1049 -0.384,1050 10.932,1051 14.262,1052 0.125,1053 22.128,1054 10.676,1055 2.692,1056 11.559,1057 19.805,1058 -0.932,1059 12.137,1060 15.872,1061 0.438,1062 24.592,1063 11.865,1064 2.636,1065 8.983,1066 21.67,1067 4.821,1068 13.22,1069 17.376,1070 0.082,1071 26.983,1072 12.929,1073 2.3,1074 7.429,1075 23.545,1076 3.846,1077 14.396,1078 18.957,1079 0.334,1080 29.433,1081 14.087,1082 2.146,1083 7.165,1084 25.427,1085 3.151,1086 15.526,1087 20.497,1088 0.054,1089 31.854,1090 15.199,1091 1.745,1092 6.342,1093 27.316,1094 2.652,1095 16.696,1096 22.069,1097 0.252,1098 34.3,1099 16.35,1100 1.439,1101 4.734,1102 29.21,1103 2.487,1104 17.85,1105 23.626,1106 0.035,1107 36.734,1108 17.485,1109 7752,1110 11521,1111 19.879,1112 33.54,1113 42.896,1114 43.748,1115 44.275,1116 42.873,1117 42.852,1118 55.173,1119 3.32,1120 122.287,1121 41.132,1122 5.743,1123 5.376,1124 6.662,1125 5.319,1126 5.266,1127 7.821,1128 1.72,1129 19.159,1130 5.193,1131 9.575,1132 1.479,1133 1.509,1134 1.527,1135 1.478,1136 1.478,1137 1.903,1138 0.114,1139 4.217,1140 1.418,1141 4.167,1142 4.186,1143 4.143,1144 4.108,1145 8.201,1146 4.113,1147 3.888,1148 3.952,1149 3.762,1150 3.742,1151 5.043,1152 3.737,1153 3.729,1154 3.759,1155 3.67,1156 3.661,1157 4.545,1158 3.658,1159 3.572,1160 3.645,1161 3.402,1162 3.417,1163 4.527,1164 3.399,1165 3.338,1166 3.387,1167 3.232,1168 3.143,1169 4.334,1170 3.16,1171 3.138,1172 3.216,1173 2.979,1174 2.961,1175 4.08,1176 2.955,1177 3.111,1178 3.206,1179 2.946,1180 2.941,1181 3.951,1182 2.91,1183 3.014,1184 3.057,1185 2.866,1186 2.898,1187 3.723,1188 2.897,1189 0.164,1190 0.116,1191 0.238,1192 0.146,1193 0.113,1194 4.743,1195 0.166,1196 3.376,1197 0.03,1198 6.892,1199 0.399,1200 4.243,1201 0.11,1202 3.266,1203 4.821,1204 0.86,1205 11.559,1206 3.193,1207 2.126,1208 2.11,1209 2.179,1210 2.197,1211 1.456,1212 2.191,1213 1.862,1214 1.803,1215 2.072,1216 2.04,1217 1.335,1218 2.055,1219 1.726,1220 1.698,1221 1.884,1222 1.82,1223 1.152,1224 1.831,1225 1.589,1226 1.516,1227 1.848,1228 1.781,1229 0.92,1230 1.818,1231 1.273,1232 1.225,1233 1.527,1234 1.527,1235 0.825,1236 1.527,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.767,1242 1.429,1243 1.126,1244 1.054,1245 1.342,1246 1.33,1247 0.472,1248 1.341,1249 0.998,1250 0.956,1251 1.261,1252 1.15,1253 0.386,1254 1.188,1255 4.078,1257 5.389,1259 6.921,1261 8.559,1263 10.255,1265 2.227,1267 14.281,1271 7.63,1273 6.121,1275 0.542,1276 2.523,1280 31.463,1281 73.09,1282 160.667,1283 215.603,1284 241.519,1285 256.539,1286 258.539,1287 42.393,1288 7.69,1289 25.36,1290 25.36,1291 24,1292 12.565,1293 4.087,1294 3.17,1295 38.107,1296 95,1297 126,1298 0.193,1299 190.52,1300 325.4,1301 456.628,1302 23716,1303 2,1304 17.933,1305 0.69,1306 0.587,1307 17.062,1308 15.249,1309 12.758,1310 0.44,1311 0.33,1312 9.475,1313 12.359,1314 9.266,1315 7.679,1316 12.348,1317 9.581,1318 11.097,1319 0.277,1320 0.18,1321 10.569,1322 7.195,1323 9.692,1324 0.176,1325 0.097,1326 9.213,1327 5.351,1328 8.293,1329 0.112,1330 0.053,1331 7.96,1332 3.912,1333 7.161,1334 0.072,1335 0.029,1336 6.902,1337 2.895,1338 0.302,1339 79.345,1340 0.224,1341 25.061,1342 0.53,1343 138,1344 389.137,1345 149.62,1346 351.511,1347 484.96,1348 332,1349 164,1350 358.717,1351 176.572,1352 358.028,1353 532.86,1354 339,1355 5} {0 CHEMBL21862,1 1.416,2 21.591,3 5.318,4 28.279,5 178.477,6 6.737,7 0.408,8 4.553,9 4.694,10 4.028,11 4.107,12 5.56,13 4.062,14 5.122,15 5.307,16 4.389,17 4.552,18 6.102,19 4.469,20 5.45,21 5.693,22 4.438,23 4.711,24 6.328,25 4.588,26 5.507,27 5.763,28 4.367,29 4.716,30 6.354,31 4.57,32 5.521,33 5.802,34 4.289,35 4.672,36 6.273,37 4.507,38 5.468,39 5.746,40 4.261,41 4.603,42 6.288,43 4.441,44 5.416,45 5.699,46 4.107,47 4.517,48 6.215,49 4.343,50 5.349,51 5.636,52 3.999,53 4.419,54 6.139,55 4.242,56 0.113,57 1.308,58 20.315,59 8.163,60 15.538,61 11.608,62 0.29,63 2.147,64 36.795,65 14.783,66 46.566,67 21.208,68 0.391,69 2.719,70 52.873,71 19.802,72 62.059,73 28.945,74 0.435,75 2.814,76 56.373,77 20.826,78 66.107,79 30.637,80 0.406,81 2.752,82 57.561,83 21.464,84 54.539,85 31.811,86 0.524,87 2.623,88 54.759,89 19.966,90 63.832,91 29.707,92 0.51,93 2.452,94 52.363,95 18.67,96 66.339,97 27.678,98 0.44,99 2.243,100 49.234,101 17.129,102 62.949,103 25.545,104 21,105 68,106 0.21,107 0.536,108 0.701,109 0.763,110 0.763,111 0.763,112 3.809,113 0.988,114 -4.16,115 -4.1,116 -3.88,119 40.9,121 10,125 2,127 2,134 2,135 2,140 6,141 6,149 2,150 2,156 2,161 2,162 2,163 2,169 23,172 2,173 2,174 2,176 14,178 26,180 2,182 4,186 16,189 23,191 4,193 4,197 14,199 18,201 4,203 2,208 10,211 22,213 2,215 2,218 2,219 2,220 4,221 2,222 22,224 2,226 4,230 3,231 6,233 16,235 4,237 4,242 8,244 10,246 4,254 8,256 8,259 4532,260 30.137,261 30.137,262 30.137,263 30.137,264 30.137,265 27.146,266 26.788,267 17.892,268 30.337,269 24.203,270 24.203,271 24.203,272 24.203,273 24.203,274 19.559,275 31.703,276 8.525,277 24.522,278 5.044,279 2.846,280 1.733,281 1.318,282 1.318,283 1.318,284 4.524,290 2110,291 4.472,294 253.576,295 640.172,298 465.406,302 3.355,303 34.553,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.33,313 0.4,314 93,315 950,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.618,326 3.509,327 6.724,328 4.172,329 3.181,330 4.552,331 0.98,332 10.962,333 3.154,334 4.056,335 3.201,336 5.943,337 3.719,338 2.715,339 3.498,340 0.4,341 8.308,342 2.724,343 4.056,344 3.201,345 5.943,346 3.719,347 2.715,348 3.498,349 0.4,350 8.308,351 2.724,352 3.822,353 2.778,354 5.687,355 3.516,356 2.531,357 3.182,359 7.524,360 2.488,361 3.822,362 2.777,363 5.687,364 3.515,365 2.53,366 3.182,368 7.524,369 2.487,370 3.412,371 2.436,372 5.308,373 3.212,374 2.236,375 2.507,377 6.787,378 2.18,379 3.408,380 2.432,381 5.308,382 3.207,383 2.231,384 2.505,386 6.786,387 2.174,388 3.016,389 1.921,390 4.586,391 2.831,392 1.837,393 2.164,395 4.463,396 1.826,397 3.007,398 1.906,399 4.586,400 2.553,401 1.57,402 2.157,404 4.46,405 1.541,406 2.889,407 1.856,408 4.048,409 2.508,410 1.52,411 1.972,413 3.71,414 1.501,415 2.886,416 1.682,417 4.046,418 2.384,419 1.4,420 1.967,422 3.373,423 1.372,424 2.814,425 1.607,426 3.863,427 2.358,428 1.361,429 1.818,431 3.343,432 1.346,433 2.573,434 1.486,435 3.75,436 2.339,437 1.34,438 1.563,440 2.932,441 1.331,442 2.562,443 1.361,444 3.747,445 2.062,446 1.073,447 1.541,449 2.695,450 1.057,451 21.067,452 0.479,453 0.972,454 0.022,455 49.5,456 1.125,457 22,458 0.5,459 27.5,460 0.625,461 48.369,462 1.099,463 47.933,464 0.545,465 38.297,466 0.87,467 9.136,468 0.208,469 12.322,470 0.28,471 0.07,473 0.332,479 0.898,480 1.141,481 0.922,482 0.992,483 0.71,484 0.953,485 0.651,486 1.17,487 0.961,488 1.113,489 0.42,490 1.074,491 0.883,492 1.047,493 0.969,494 1.019,495 0.692,496 1.005,497 0.894,498 1.061,499 1.051,500 1.078,501 0.78,502 1.079,503 0.672,504 0.998,505 0.911,506 1.008,507 0.586,508 0.987,509 0.608,510 1.018,511 0.925,512 1.046,513 0.507,514 1.022,515 0.868,516 0.97,517 1.03,518 1.04,519 0.82,520 1.05,521 1.036,522 1.016,523 1.027,524 1.023,525 1.085,526 1.026,527 7.5,528 0.189,529 5.111,530 2.139,531 1.921,532 1.41,533 0.999,534 0.516,535 0.317,536 0.254,537 49071,538 111483,539 2.136,540 50,541 8,542 14,543 2,545 8,547 12,550 1.809,551 2.031,552 4.328,553 4.393,559 124.588,560 1.416,561 3.613,562 4.726,563 5.141,564 5.141,565 5.141,566 3.698,567 4.187,568 5.437,569 4.592,570 4343.58,571 9.544,572 96372.9,577 568.43,578 1.289,579 5.405,580 0.153,581 0.006,582 0.075,583 0.031,584 0.031,585 0.025,586 0.019,587 0.011,588 0.008,589 0.007,590 0.366,591 0.17,592 0.5,593 0.641,594 269.008,595 -0.099,596 0.107,597 0.029,598 0.111,599 -0.058,600 0.091,601 0.084,602 -0.033,603 -0.012,604 -0.034,605 0.169,606 -0.033,607 -0.049,608 -0.023,610 0.003,611 0.046,612 0.006,613 -0.07,614 -0.058,615 -0.081,616 -0.069,617 -0.025,618 -0.074,619 0.023,620 -0.05,621 0.052,622 -0.006,623 0.024,624 0.022,625 0.156,626 -0.054,627 0.046,628 -0.057,629 0.135,630 -0.024,631 0.014,632 -0.014,633 -0.047,634 -0.064,635 -0.006,636 -0.064,637 -0.059,638 -0.083,639 -0.036,640 -0.054,641 -0.081,642 -0.045,643 2.056,644 4.631,645 0.682,646 71.364,647 0.989,648 1.128,649 2.929,650 8.577,651 0.652,652 3.912,653 4.234,654 4.522,655 4.779,656 5.024,657 5.165,658 5.298,659 5.38,660 5.429,661 5.485,662 12.852,663 0.609,664 592.86,665 3.912,666 5.46,667 6.315,668 7.191,669 8.066,670 8.95,671 9.835,672 10.725,673 11.615,674 12.509,675 6.8,677 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,701 2,714 88,716 24,717 2,718 49,720 93,721 36,722 16,723 6,724 6,725 6,730 6,731 8,740 8,743 12,745 22,746 14,750 4,755 2,757 2,759 4,764 44,765 6,766 8,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,810 2,811 2,814 2,819 4,827 44,828 2,833 12,834 2,837 2,847 2.3,850 2,854 21.667,855 15,856 9.639,857 5.681,858 4.817,859 1.515,860 1.019,861 9.778,862 14.175,863 4.159,864 4.749,865 5.362,866 5.972,867 6.513,868 6.949,869 7.358,870 7.681,871 7.802,872 8.034,873 0.929,874 69,875 16.342,877 7.037,878 7.606,879 32.182,881 27.65,883 2.106,884 92.667,888 423.76,889 161.418,890 135.387,892 50.29,895 161.418,896 474.05,897 135.387,899 95.351,900 129.926,901 59.699,902 57.83,903 27.83,904 400.217,906 423.76,907 296.805,908 50.29,911 282.506,912 191.543,915 164.944,916 112.909,917 18.952,919 423.76,920 185.677,921 161.418,924 423.76,925 67.514,926 93.905,927 69.593,928 116.084,929 423.76,930 185.677,931 161.418,933 0.58,934 0.336,935 0.176,936 0.098,937 32,938 14,939 0.14,940 13,941 2,942 1.133,943 5.674,944 426.303,945 0.133,946 30,947 192.215,951 30.542,952 14.086,953 7.268,954 4.222,955 152.106,956 15.341,958 6.664,961 3.481,963 135.387,964 770.855,965 63,970 23.262,972 4.714,974 1.924,975 87.054,976 99.297,977 0.219,978 0.559,979 0.732,980 0.796,981 0.796,982 0.796,983 5.407,984 2.231,985 6.29,986 6.787,987 4.92,988 5.438,989 1.701,990 7.094,991 4.896,992 6.603,993 1.837,994 7.843,995 6.786,996 4.443,997 5.278,999 7.995,1000 4.426,1001 7.912,1002 1.57,1003 9.499,1004 4.463,1005 6.506,1006 7.66,1007 1.566,1008 11.097,1009 6.465,1010 9.259,1011 1.52,1012 11.217,1013 4.46,1014 6.889,1015 8.414,1017 12.865,1018 6.853,1019 10.644,1020 1.4,1021 12.975,1022 3.71,1023 8.386,1024 10.256,1025 1.516,1026 15.479,1027 8.333,1028 12.056,1029 1.361,1030 14.761,1031 3.373,1032 9.164,1033 11.424,1035 17.601,1036 9.113,1037 13.489,1038 1.34,1039 16.568,1040 3.343,1041 10.436,1042 13.06,1043 1.482,1044 20.06,1045 10.373,1046 3.181,1047 1.073,1048 18.39,1049 2.932,1050 11.404,1051 14.419,1053 22.336,1054 11.338,1055 3.181,1056 10.962,1057 20.225,1058 2.695,1059 12.587,1060 15.976,1061 1.45,1062 24.746,1063 12.511,1064 2.715,1065 10.962,1066 22.069,1067 4.552,1068 13.646,1069 17.42,1071 27.087,1072 13.564,1073 2.715,1074 8.308,1075 23.922,1076 4.552,1077 14.797,1078 18.948,1079 1.419,1080 29.482,1081 14.706,1082 2.531,1083 8.308,1084 25.782,1085 3.498,1086 15.9,1087 20.43,1089 31.852,1090 15.802,1091 2.53,1092 7.524,1093 27.647,1094 3.498,1095 17.043,1096 21.948,1097 1.388,1098 34.245,1099 16.936,1100 2.236,1101 7.524,1102 29.518,1103 3.182,1104 18.168,1105 23.448,1107 36.628,1108 18.053,1109 44810,1110 67812,1111 33.402,1112 57.41,1113 74.243,1114 75.26,1115 75.113,1116 73.455,1117 73.51,1118 93.842,1119 5.519,1120 209.273,1121 72.587,1122 5.601,1123 5.509,1124 6.614,1125 5.206,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 20.215,1132 1.515,1133 1.536,1134 1.533,1135 1.499,1136 1.5,1137 1.915,1138 0.113,1139 4.271,1140 1.481,1141 4.173,1142 4.205,1143 4.131,1144 4.096,1145 7.439,1146 4.101,1147 4.127,1148 4.157,1149 4.091,1150 4.054,1151 7.435,1152 4.059,1153 3.873,1154 3.931,1155 3.761,1156 3.759,1157 4.998,1158 3.752,1159 3.842,1160 3.895,1161 3.738,1162 3.739,1163 4.963,1164 3.732,1165 3.719,1166 3.778,1167 3.578,1168 3.604,1169 4.863,1170 3.587,1171 3.565,1172 3.613,1173 3.498,1174 3.395,1175 4.863,1176 3.409,1177 3.548,1178 3.593,1179 3.474,1180 3.372,1181 4.466,1182 3.39,1183 3.454,1184 3.528,1185 3.301,1186 3.27,1187 4.437,1188 3.267,1189 0.094,1190 0.072,1191 0.137,1192 0.085,1193 0.065,1194 4.618,1195 0.093,1196 3.509,1197 0.02,1198 6.724,1199 0.224,1200 4.172,1201 0.064,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.978,1208 1.958,1209 2.097,1210 2.063,1211 1.427,1212 2.076,1213 1.978,1214 1.957,1215 2.089,1216 2.058,1217 1.413,1218 2.069,1219 1.869,1220 1.825,1221 2.02,1222 2.008,1223 1.345,1224 2.013,1225 1.86,1226 1.818,1227 1.997,1228 1.997,1229 1.163,1230 2,1231 1.747,1232 1.686,1233 1.973,1234 1.902,1235 1.157,1236 1.932,1237 1.531,1238 1.466,1239 1.767,1240 1.739,1241 1.058,1242 1.748,1243 1.464,1244 1.406,1245 1.629,1246 1.683,1247 0.797,1248 1.669,1249 1.402,1250 1.331,1251 1.606,1252 1.642,1253 0.761,1254 1.635,1255 4.595,1257 5.916,1258 3.045,1259 7.425,1260 5.416,1261 9.021,1262 7.535,1263 10.667,1269 10.992,1271 13.468,1272 7.531,1275 1.066,1280 53.567,1281 124.588,1282 317.98,1283 415.901,1284 452.43,1285 452.43,1286 452.43,1287 82.6,1288 9.358,1289 141.82,1290 141.82,1291 34,1292 13.037,1293 4.644,1294 3.907,1295 67.205,1296 356,1297 251,1298 0.088,1299 325.364,1300 565.5,1301 785.648,1302 251637,1304 30.468,1305 0.692,1306 0.577,1307 30.468,1308 25.385,1309 21.458,1310 0.438,1311 0.329,1312 16.009,1313 20.961,1314 15.71,1315 12.981,1316 21.458,1317 16.135,1318 19.225,1319 0.283,1320 0.182,1321 19.225,1322 12.378,1323 16.373,1324 0.18,1325 0.103,1326 16.373,1327 9.416,1328 13.376,1329 0.113,1330 0.058,1331 13.376,1332 6.823,1333 10.921,1334 0.072,1335 0.033,1336 10.921,1337 4.96,1338 0.152,1339 132.294,1340 0.173,1341 40.763,1342 0.213,1343 234,1344 537.427,1345 247.365,1346 535.621,1347 743.4,1348 502,1349 276,1350 553.723,1351 288.315,1352 567.14,1353 830.8,1354 538,1355 9.081} {0 CHEMBL22553,1 1.463,2 18.3,3 3.763,4 14.16,5 159.766,6 7.062,7 0.444,8 4.423,9 4.56,10 3.941,11 3.984,12 5.476,13 3.951,14 4.977,15 5.151,16 4.32,17 4.433,18 6.015,19 4.366,20 5.296,21 5.522,22 4.371,23 4.594,24 6.238,25 4.49,26 5.361,27 5.602,28 4.295,29 4.602,30 6.26,31 4.47,32 5.383,33 5.655,34 4.215,35 4.546,36 6.181,37 4.395,38 5.32,39 5.594,40 4.185,41 4.449,42 6.206,43 4.31,44 5.229,45 5.498,46 4.025,47 4.354,48 6.094,49 4.207,50 5.167,51 5.432,52 3.936,53 4.287,54 6.028,55 4.135,56 0.094,57 1.152,58 16.742,59 6.771,60 14.998,61 9.405,62 0.248,63 1.885,64 30.36,65 12.345,66 43.581,67 17.377,68 0.362,69 2.394,70 44.358,71 16.771,72 57.922,73 23.97,74 0.367,75 2.487,76 47.926,77 17.948,78 62.381,79 25.894,80 0.349,81 2.446,82 50.234,83 18.604,84 52.265,85 27.369,86 0.508,87 2.322,88 47.584,89 16.466,90 62.354,91 24.579,92 0.447,93 2.1,94 43.474,95 14.983,96 64.817,97 22.052,98 0.369,99 1.938,100 40.842,101 14.365,102 62.32,103 20.937,104 21,105 64,106 0.223,107 0.571,108 0.724,109 0.759,110 0.759,111 0.759,112 3.717,113 0.942,114 -3.43,115 -3.41,116 -3.26,119 42.1,121 6,125 2,127 2,134 2,135 2,140 6,141 6,149 2,150 2,156 2,161 2,162 2,163 2,169 20,172 2,173 2,174 2,176 12,178 24,180 2,182 4,185 1,186 14,189 22,191 4,193 4,197 12,199 14,201 4,203 2,208 12,211 14,213 2,215 2,218 2,219 2,220 8,221 2,222 12,224 2,226 4,230 2,231 8,233 8,235 4,237 4,242 10,244 8,246 4,254 4,256 8,259 3280,260 27.308,261 27.308,262 27.308,263 27.308,264 27.308,265 24.318,266 24.744,267 15.892,268 27.51,269 22.203,270 22.203,271 22.203,272 22.203,273 22.203,274 17.559,275 30.238,276 7.525,277 22.525,278 4.785,279 2.497,280 1.494,281 1.263,282 1.263,283 1.263,284 4.433,290 1634,291 4,294 215.157,295 542.487,298 396.133,302 2.87,303 34.117,306 0.5,307 0.5,308 0.5,309 0.6,310 0.5,311 0.5,312 0.5,313 0.51,314 85,315 732,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.618,326 3.509,327 6.724,328 4.172,329 3.181,330 4.552,331 0.98,332 10.962,333 3.154,334 4.056,335 3.202,336 5.943,337 3.721,338 2.717,339 3.498,340 0.4,341 8.308,342 2.725,343 4.056,344 3.201,345 5.943,346 3.718,347 2.713,348 3.498,349 0.4,350 8.308,351 2.724,352 3.824,353 2.792,354 5.687,355 3.525,356 2.541,357 3.182,359 7.527,360 2.494,361 3.821,362 2.765,363 5.686,364 3.505,365 2.519,366 3.182,368 7.522,369 2.48,370 3.431,371 2.46,372 5.318,373 3.223,374 2.247,375 2.521,377 6.809,378 2.189,379 3.384,380 2.402,381 5.299,382 3.189,383 2.211,384 2.489,386 6.763,387 2.157,388 3.017,389 1.912,390 4.588,391 2.575,392 1.598,393 2.174,395 4.469,396 1.56,397 2.994,398 1.901,399 4.584,400 2.511,401 1.524,402 2.138,404 4.45,405 1.503,406 2.887,407 1.729,408 4.049,409 2.378,410 1.397,411 1.971,413 3.395,414 1.363,415 2.884,416 1.62,417 4.043,418 2.358,419 1.36,420 1.962,422 3.352,423 1.346,424 2.581,425 1.502,426 3.753,427 2.319,428 1.326,429 1.574,431 2.99,432 1.309,433 2.563,434 1.359,435 3.748,436 2.053,437 1.063,438 1.543,440 2.694,441 1.047,442 2.409,443 1.314,444 3.59,445 2.028,446 1.041,447 1.386,449 2.644,450 1.023,451 19.067,452 0.477,453 0.972,454 0.024,455 47.5,456 1.188,457 22,458 0.55,459 25.5,460 0.638,461 40.403,462 1.01,463 42.733,464 0.562,465 37.602,466 0.94,467 9.13,468 0.228,469 10.327,470 0.258,471 0.077,473 0.367,479 0.9,480 1.099,481 0.873,482 0.927,483 0.714,484 0.888,485 0.652,486 1.13,487 0.913,488 1.061,489 0.424,490 1.021,491 0.894,492 1.024,493 0.991,494 1.024,495 0.713,496 1.019,497 0.885,498 1.085,499 1.077,500 1.118,501 0.794,502 1.119,503 0.666,504 1.038,505 0.911,506 1.037,507 0.591,508 1.009,509 0.702,510 1.012,511 0.935,512 1.015,513 0.536,514 1,515 0.981,516 0.986,517 1.067,518 1.034,519 0.888,520 1.053,521 1.069,522 1.076,523 1.087,524 1.095,525 1.145,526 1.097,527 7.5,528 0.197,529 5.111,530 2.139,531 1.921,532 1.354,533 1.04,534 0.547,535 0.268,536 0.266,537 34699,538 83527,539 2.151,540 47.4,541 4,542 14,543 2,545 8,547 8,550 1.789,551 2.034,552 4.11,553 4.544,559 111.215,560 1.463,561 3.751,562 4.754,563 4.985,564 4.985,565 4.985,566 3.484,567 4.022,568 5.298,569 4.35,570 3392.82,571 9.282,572 65719.8,577 474.842,578 1.337,579 5.263,580 0.167,581 0.007,582 0.08,583 0.033,584 0.033,585 0.026,586 0.021,587 0.013,588 0.007,589 0.008,590 0.394,591 0.17,592 0.63,593 0.681,594 234.111,595 -0.12,596 0.123,597 0.024,598 0.129,599 -0.079,600 0.105,601 0.075,602 -0.005,603 -0.001,604 -0.007,605 0.161,606 -0.012,607 -0.057,608 0.003,609 -0.036,610 -0.007,611 0.03,612 -0.017,613 -0.082,614 -0.087,615 -0.118,616 -0.106,617 -0.043,618 -0.114,619 0.03,620 -0.099,621 0.058,622 -0.032,623 0.021,624 0.009,625 0.131,626 -0.042,627 0.053,628 -0.045,629 0.123,630 -0.011,631 -0.045,632 -0.017,633 -0.074,634 -0.064,635 -0.036,636 -0.071,637 -0.087,638 -0.131,639 -0.093,640 -0.111,641 -0.107,642 -0.106,643 2.066,644 4.625,645 0.75,646 56.7,647 0.994,648 1.127,649 2.2,650 4.84,651 0.663,652 3.829,653 4.174,654 4.477,655 4.745,656 4.997,657 5.142,658 5.283,659 5.371,660 5.425,661 5.501,662 10.86,663 0.624,664 536.74,665 3.829,666 5.389,667 6.256,668 7.141,669 8.025,670 8.916,671 9.807,672 10.702,673 11.597,674 12.495,675 7.9,677 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,701 2,714 76,716 24,717 2,718 45,720 81,721 32,722 16,723 6,724 6,725 6,730 6,731 8,740 8,743 8,745 22,746 10,750 4,755 2,757 2,759 4,764 36,765 6,766 8,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,810 2,811 2,814 2,819 4,827 40,828 2,833 8,834 2,837 2,847 2.6,850 2,854 19.667,855 13,856 8.639,857 4.681,858 4.879,859 1.525,860 1.038,861 7.721,862 14.168,863 4.094,864 4.714,865 5.344,866 5.962,867 6.507,868 6.945,869 7.356,870 7.68,871 7.803,872 8.038,873 0.917,874 65,875 14.831,877 6.469,878 7.667,879 28.916,881 24.983,883 2.167,884 86.667,888 329.591,889 151.28,890 135.387,892 50.29,895 151.28,896 379.881,897 135.387,899 85.213,900 129.926,901 59.699,902 57.83,903 27.83,904 306.049,906 329.591,907 286.667,908 50.29,911 235.422,912 144.459,915 154.806,916 112.909,917 18.952,919 329.591,920 185.677,921 151.28,924 329.591,925 57.376,926 93.905,927 69.593,928 116.084,929 329.591,930 185.677,931 151.28,933 0.588,934 0.345,935 0.181,936 0.101,937 32,938 14,939 0.111,940 9,941 2,942 1.133,943 5.217,944 391.333,945 0.133,946 30,947 172.877,951 26.727,952 11.556,953 5.726,954 4.164,955 152.106,956 15.247,958 6.642,961 3.421,963 135.387,964 666.548,965 59,970 23.251,972 4.664,974 1.858,975 75.519,976 85.637,977 0.234,978 0.6,979 0.761,980 0.798,981 0.798,982 0.798,983 5.352,984 2.211,985 6.244,986 6.809,987 4.86,988 5.403,989 1.701,990 7.067,991 4.835,992 6.565,993 1.598,994 7.812,995 6.763,996 4.443,997 5.278,999 7.995,1000 4.426,1001 7.884,1002 1.524,1003 9.478,1004 4.469,1005 6.469,1006 7.649,1007 1.566,1008 11.091,1009 6.427,1010 9.24,1011 1.397,1012 11.203,1013 4.45,1014 6.889,1015 8.414,1017 12.865,1018 6.853,1019 10.631,1020 1.36,1021 12.966,1022 3.395,1023 8.368,1024 10.253,1025 1.516,1026 15.478,1027 8.314,1028 12.047,1029 1.326,1030 14.756,1031 3.352,1032 9.164,1033 11.424,1035 17.601,1036 9.113,1037 13.482,1038 1.063,1039 16.565,1040 2.99,1041 10.428,1042 13.06,1043 1.482,1044 20.06,1045 10.364,1046 3.181,1047 1.041,1048 18.388,1049 2.694,1050 11.404,1051 14.419,1053 22.336,1054 11.338,1055 3.181,1056 10.962,1057 20.224,1058 2.644,1059 12.584,1060 15.976,1061 1.45,1062 24.746,1063 12.507,1064 2.717,1065 10.962,1066 22.069,1067 4.552,1068 13.646,1069 17.42,1071 27.087,1072 13.564,1073 2.713,1074 8.308,1075 23.922,1076 4.552,1077 14.796,1078 18.948,1079 1.419,1080 29.482,1081 14.705,1082 2.541,1083 8.308,1084 25.781,1085 3.498,1086 15.9,1087 20.43,1089 31.852,1090 15.802,1091 2.519,1092 7.527,1093 27.647,1094 3.498,1095 17.043,1096 21.948,1097 1.388,1098 34.245,1099 16.935,1100 2.247,1101 7.522,1102 29.518,1103 3.182,1104 18.169,1105 23.448,1107 36.628,1108 18.053,1109 31622,1110 49240,1111 30.63,1112 50.364,1113 69.283,1114 70.239,1115 70.026,1116 68.37,1117 68.43,1118 88.764,1119 5.519,1120 199.126,1121 67.507,1122 5.592,1123 5.509,1124 6.409,1125 5.218,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 18.729,1132 1.54,1133 1.561,1134 1.556,1135 1.519,1136 1.521,1137 1.973,1138 0.123,1139 4.425,1140 1.5,1141 4.172,1142 4.203,1143 4.13,1144 4.095,1145 7.439,1146 4.1,1147 4.127,1148 4.157,1149 4.091,1150 4.054,1151 7.435,1152 4.059,1153 3.871,1154 3.928,1155 3.765,1156 3.756,1157 4.998,1158 3.751,1159 3.824,1160 3.874,1161 3.722,1162 3.729,1163 4.963,1164 3.721,1165 3.591,1166 3.643,1167 3.52,1168 3.423,1169 4.863,1170 3.436,1171 3.547,1172 3.591,1173 3.486,1174 3.371,1175 4.863,1176 3.39,1177 3.477,1178 3.545,1179 3.347,1180 3.279,1181 4.486,1182 3.286,1183 3.2,1184 3.267,1185 3.096,1186 3.016,1187 4.414,1188 3.029,1189 0.103,1190 0.078,1191 0.149,1192 0.093,1193 0.071,1194 4.618,1195 0.101,1196 3.509,1197 0.022,1198 6.724,1199 0.244,1200 4.172,1201 0.07,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.979,1208 1.958,1209 2.096,1210 2.067,1211 1.42,1212 2.079,1213 1.976,1214 1.957,1215 2.082,1216 2.053,1217 1.404,1218 2.062,1219 1.869,1220 1.826,1221 2.001,1222 2.008,1223 1.166,1224 2.009,1225 1.852,1226 1.811,1227 1.992,1228 1.984,1229 1.158,1230 1.991,1231 1.567,1232 1.5,1233 1.786,1234 1.776,1235 1.041,1236 1.784,1237 1.466,1238 1.408,1239 1.625,1240 1.685,1241 0.777,1242 1.669,1243 1.394,1244 1.324,1245 1.595,1246 1.645,1247 0.741,1248 1.631,1249 1.274,1250 1.237,1251 1.441,1252 1.546,1253 0.704,1254 1.515,1255 4.511,1257 5.849,1258 3.045,1259 7.376,1260 5.416,1261 8.987,1262 7.535,1263 10.644,1269 10.978,1271 8.053,1272 7.441,1275 0.948,1280 47.46,1281 111.215,1282 285.055,1283 361.333,1284 378.842,1285 378.842,1286 378.842,1287 70.362,1288 9.289,1289 141.82,1290 141.82,1291 34,1292 13.019,1293 4.644,1294 3.907,1295 58.068,1296 272,1297 201,1298 0.102,1299 286.994,1300 496.3,1301 692.027,1302 205923,1304 27.639,1305 0.691,1306 0.564,1307 27.639,1308 22.556,1309 19.458,1310 0.432,1311 0.314,1312 14.009,1313 18.962,1314 13.75,1315 11.315,1316 19.458,1317 14.135,1318 17.811,1319 0.278,1320 0.171,1321 17.811,1322 10.964,1323 15.373,1324 0.177,1325 0.097,1326 15.373,1327 8.437,1328 12.669,1329 0.111,1330 0.054,1331 12.669,1332 6.16,1333 10.425,1334 0.071,1335 0.03,1336 10.425,1337 4.471,1338 0.171,1339 120.294,1340 0.181,1341 37.2,1342 0.253,1343 218,1344 521.427,1345 231.365,1346 518.974,1347 720.36,1348 486,1349 260,1350 537.723,1351 272.342,1352 550.495,1353 807.8,1354 522,1355 8.097} {0 CHEMBL22744,1 1.405,2 22.4,3 5.774,4 33.339,5 183.078,6 6.669,7 0.4,8 4.583,9 4.725,10 4.048,11 4.136,12 5.58,13 4.088,14 5.155,15 5.342,16 4.405,17 4.58,18 6.122,19 4.493,20 5.485,21 5.732,22 4.454,23 4.738,24 6.349,25 4.612,26 5.54,27 5.799,28 4.385,29 4.744,30 6.375,31 4.594,32 5.554,33 5.837,34 4.307,35 4.701,36 6.296,37 4.532,38 5.502,39 5.783,40 4.28,41 4.634,42 6.311,43 4.468,44 5.452,45 5.737,46 4.129,47 4.549,48 6.237,49 4.372,50 5.389,51 5.679,52 4.025,53 4.454,54 6.172,55 4.274,56 0.118,57 1.347,58 21.191,59 8.511,60 15.607,61 12.15,62 0.3,63 2.212,64 38.349,65 15.384,66 47.062,67 22.141,68 0.403,69 2.8,70 54.897,71 20.566,72 62.857,73 30.153,74 0.447,75 2.894,76 58.338,77 21.574,78 66.53,79 31.82,80 0.416,81 2.83,82 59.38,83 22.182,84 54.702,85 32.921,86 0.537,87 2.701,88 56.617,89 20.689,90 64.556,91 30.822,92 0.495,93 2.529,94 54.162,95 19.286,96 65.389,97 28.736,98 0.49,99 2.327,100 51.215,101 17.771,102 63.672,103 26.546,104 21,105 69,106 0.207,107 0.527,108 0.691,109 0.76,110 0.768,111 0.768,112 3.831,113 0.998,114 -4.34,115 -4.27,116 -4.03,119 40.7,121 11,125 2,127 2,134 2,135 2,140 6,141 6,149 2,150 2,156 2,161 2,162 2,163 2,169 24,172 2,173 2,174 2,176 14,178 27,180 2,182 4,186 16,189 24,191 4,193 4,197 14,199 19,201 4,203 2,208 10,211 22,213 2,215 2,218 2,219 2,220 6,221 2,222 22,224 2,226 4,230 2,231 6,233 16,235 4,237 4,241 1,242 8,244 14,246 4,254 4,256 12,259 4910,260 30.844,261 30.844,262 30.844,263 30.844,264 30.844,265 27.854,266 26.788,267 18.392,268 31.044,269 24.703,270 24.703,271 24.703,272 24.703,273 24.703,274 20.059,275 31.703,276 8.775,277 25.022,278 5.103,279 2.934,280 1.819,281 1.357,282 1.297,283 1.297,284 4.545,290 2236,291 4.583,294 263.108,295 664.199,298 482.615,302 3.484,303 34.622,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.33,313 0.4,314 95,315 1008,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.618,326 3.509,327 6.724,328 4.172,329 3.181,330 4.552,331 0.98,332 10.962,333 3.154,334 4.056,335 3.201,336 5.943,337 3.719,338 2.715,339 3.498,340 0.4,341 8.308,342 2.724,343 4.056,344 3.201,345 5.943,346 3.719,347 2.715,348 3.498,349 0.4,350 8.308,351 2.724,352 3.822,353 2.778,354 5.687,355 3.516,356 2.531,357 3.182,359 7.524,360 2.488,361 3.822,362 2.778,363 5.687,364 3.515,365 2.53,366 3.182,368 7.524,369 2.487,370 3.411,371 2.435,372 5.308,373 3.212,374 2.235,375 2.506,377 6.787,378 2.179,379 3.409,380 2.433,381 5.308,382 3.208,383 2.232,384 2.505,386 6.787,387 2.175,388 3.016,389 1.926,390 4.586,391 2.865,392 1.869,393 2.163,395 4.462,396 1.861,397 3.008,398 1.907,399 4.586,400 2.586,401 1.603,402 2.158,404 4.46,405 1.573,406 2.891,407 1.873,408 4.048,409 2.515,410 1.528,411 1.972,413 3.766,414 1.507,415 2.886,416 1.705,417 4.047,418 2.445,419 1.456,420 1.968,422 3.384,423 1.439,424 2.847,425 1.62,426 3.889,427 2.359,428 1.362,429 1.853,431 3.349,432 1.347,433 2.584,434 1.527,435 3.751,436 2.354,437 1.354,438 1.581,440 3.1,441 1.343,442 2.564,443 1.375,444 3.748,445 2.095,446 1.113,447 1.545,449 2.703,450 1.089,451 21.567,452 0.479,453 0.972,454 0.022,455 50,456 1.111,457 22,458 0.489,459 28,460 0.622,461 50.402,462 1.12,463 49.233,464 0.541,465 38.464,466 0.855,467 9.136,468 0.203,469 12.822,470 0.285,471 0.068,473 0.325,479 0.898,480 1.151,481 0.933,482 1.006,483 0.71,484 0.967,485 0.651,486 1.178,487 0.972,488 1.124,489 0.42,490 1.085,491 0.877,492 1.044,493 0.966,494 1.017,495 0.687,496 1.002,497 0.89,498 1.059,499 1.045,500 1.074,501 0.775,502 1.073,503 0.671,504 0.997,505 0.91,506 1.006,507 0.584,508 0.985,509 0.606,510 1.016,511 0.923,512 1.043,513 0.504,514 1.018,515 0.88,516 0.999,517 1.024,518 1.043,519 0.817,520 1.047,521 1.039,522 0.969,523 1.026,524 0.997,525 1.075,526 1.009,527 7.5,528 0.155,529 5.111,530 2.139,531 1.921,532 1.41,533 0.999,534 0.516,535 0.317,536 0.274,537 53144,538 119172,539 2.133,540 50.5,541 10,542 14,543 2,545 8,547 12,550 1.814,551 2.03,552 4.376,553 4.359,559 127.866,560 1.405,561 3.574,562 4.688,563 5.151,564 5.211,565 5.211,566 3.769,567 4.247,568 5.47,569 4.646,570 4599.55,571 9.606,572 105283,577 592.209,578 1.277,579 5.438,580 0.15,581 0.004,582 0.074,583 0.031,584 0.03,585 0.024,586 0.018,587 0.011,588 0.008,589 0.008,590 0.359,592 0.5,593 0.632,594 277.805,595 -0.095,596 0.103,597 0.03,598 0.107,599 -0.054,600 0.089,601 0.085,602 -0.038,603 -0.016,604 -0.039,605 0.171,606 -0.038,607 -0.043,608 -0.022,609 0.006,610 0.006,611 0.05,612 0.011,613 -0.065,614 -0.055,615 -0.073,616 -0.064,617 -0.021,618 -0.068,619 0.025,620 -0.048,621 0.052,622 -0.005,623 0.026,624 0.023,625 0.157,626 -0.053,627 0.047,628 -0.054,629 0.136,630 -0.021,631 -0.002,632 -0.044,633 -0.043,634 -0.068,635 -0.007,636 -0.062,637 -0.045,638 -0.031,639 -0.034,640 -0.034,641 -0.074,642 -0.034,643 2.054,644 4.633,645 0.667,646 75.447,647 0.988,648 1.129,649 3.106,650 9.646,651 0.65,652 3.932,653 4.248,654 4.533,655 4.787,656 5.03,657 5.17,658 5.303,659 5.384,660 5.434,661 5.489,662 13.345,663 0.605,664 606.89,665 3.932,666 5.476,667 6.33,668 7.203,669 8.076,670 8.958,671 9.842,672 10.73,673 11.62,674 12.513,675 6.6,677 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,701 2,714 91,716 24,717 2,718 50,720 96,721 37,722 16,723 6,724 6,725 6,730 6,731 8,740 8,743 13,745 22,746 15,750 4,755 2,757 2,759 4,764 46,765 6,766 8,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,810 2,811 2,814 2,819 4,827 45,828 2,833 13,834 2,837 2,847 2.2,850 2,854 22.167,855 15.5,856 9.889,857 5.931,858 4.802,859 1.512,860 1.015,861 10.319,862 14.177,863 4.174,864 4.758,865 5.367,866 5.975,867 6.515,868 6.95,869 7.358,870 7.682,871 7.803,872 8.035,873 1,874 70,875 16.72,877 7.179,878 7.593,879 32.998,881 28.317,883 2.093,884 94.167,888 447.302,889 163.953,890 135.387,892 50.29,895 163.953,896 497.592,897 135.387,899 97.886,900 129.926,901 59.699,902 57.83,903 27.83,904 423.76,906 447.302,907 299.34,908 50.29,911 306.049,912 191.543,915 167.478,916 112.909,917 18.952,919 447.302,920 185.677,921 163.953,924 447.302,925 70.048,926 93.905,927 69.593,928 116.084,929 447.302,930 185.677,931 163.953,933 0.578,934 0.335,935 0.175,936 0.098,937 32,938 14,939 0.146,940 14,941 2,942 1.133,943 5.787,944 435.231,945 0.133,946 30,947 199.133,951 31.5,952 14.742,953 7.673,954 4.232,955 152.106,956 15.358,958 6.669,961 3.491,963 135.387,964 796.932,965 64,970 23.266,972 4.722,974 1.935,975 89.937,976 102.713,977 0.216,978 0.549,979 0.72,980 0.791,981 0.801,982 0.801,983 5.421,984 2.232,985 6.301,986 6.787,987 4.934,988 5.447,989 1.701,990 7.101,991 4.911,992 6.613,993 1.869,994 7.851,995 6.787,996 4.443,997 5.278,999 7.995,1000 4.426,1001 7.919,1002 1.603,1003 9.504,1004 4.462,1005 6.515,1006 7.663,1007 1.566,1008 11.099,1009 6.474,1010 9.264,1011 1.528,1012 11.22,1013 4.46,1014 6.889,1015 8.414,1017 12.865,1018 6.853,1019 10.648,1020 1.456,1021 12.977,1022 3.766,1023 8.39,1024 10.256,1025 1.516,1026 15.479,1027 8.338,1028 12.058,1029 1.362,1030 14.763,1031 3.384,1032 9.164,1033 11.424,1035 17.601,1036 9.113,1037 13.49,1038 1.354,1039 16.569,1040 3.349,1041 10.438,1042 13.06,1043 1.482,1044 20.061,1045 10.375,1046 3.181,1047 1.113,1048 18.391,1049 3.1,1050 11.404,1051 14.419,1053 22.336,1054 11.338,1055 3.181,1056 10.962,1057 20.225,1058 2.703,1059 12.588,1060 15.976,1061 1.45,1062 24.746,1063 12.512,1064 2.715,1065 10.962,1066 22.07,1067 4.552,1068 13.646,1069 17.42,1071 27.087,1072 13.564,1073 2.715,1074 8.308,1075 23.922,1076 4.552,1077 14.798,1078 18.948,1079 1.419,1080 29.482,1081 14.707,1082 2.531,1083 8.308,1084 25.782,1085 3.498,1086 15.9,1087 20.43,1089 31.852,1090 15.802,1091 2.53,1092 7.524,1093 27.647,1094 3.498,1095 17.043,1096 21.948,1097 1.388,1098 34.245,1099 16.936,1100 2.235,1101 7.524,1102 29.518,1103 3.182,1104 18.168,1105 23.448,1107 36.628,1108 18.053,1109 48562,1110 73020,1111 34.096,1112 59.171,1113 75.562,1114 76.446,1115 76.413,1116 74.668,1117 74.734,1118 95.065,1119 5.519,1120 211.71,1121 73.813,1122 5.602,1123 5.509,1124 6.634,1125 5.204,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 20.575,1132 1.511,1133 1.529,1134 1.528,1135 1.493,1136 1.495,1137 1.901,1138 0.11,1139 4.234,1140 1.476,1141 4.173,1142 4.205,1143 4.131,1144 4.096,1145 7.439,1146 4.101,1147 4.128,1148 4.157,1149 4.091,1150 4.054,1151 7.435,1152 4.059,1153 3.874,1154 3.932,1155 3.76,1156 3.759,1157 4.998,1158 3.752,1159 3.844,1160 3.897,1161 3.739,1162 3.74,1163 4.963,1164 3.733,1165 3.738,1166 3.797,1167 3.593,1168 3.627,1169 4.863,1170 3.609,1171 3.577,1172 3.633,1173 3.502,1174 3.415,1175 4.863,1176 3.422,1177 3.551,1178 3.596,1179 3.482,1180 3.376,1181 4.465,1182 3.394,1183 3.497,1184 3.56,1185 3.349,1186 3.324,1187 4.439,1188 3.323,1189 0.092,1190 0.07,1191 0.134,1192 0.083,1193 0.064,1194 4.618,1195 0.091,1196 3.509,1197 0.02,1198 6.724,1199 0.219,1200 4.172,1201 0.063,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.978,1208 1.958,1209 2.097,1210 2.063,1211 1.43,1212 2.075,1213 1.978,1214 1.958,1215 2.09,1216 2.059,1217 1.414,1218 2.07,1219 1.869,1220 1.824,1221 2.029,1222 2.009,1223 1.366,1224 2.014,1225 1.861,1226 1.819,1227 1.998,1228 1.998,1229 1.171,1230 2.002,1231 1.767,1232 1.707,1233 1.983,1234 1.918,1235 1.158,1236 1.948,1237 1.571,1238 1.503,1239 1.822,1240 1.768,1241 1.126,1242 1.787,1243 1.472,1244 1.413,1245 1.641,1246 1.688,1247 0.845,1248 1.676,1249 1.431,1250 1.366,1251 1.614,1252 1.658,1253 0.77,1254 1.649,1255 4.615,1257 5.932,1258 3.045,1259 7.437,1260 5.416,1261 9.029,1262 7.535,1263 10.673,1269 10.996,1271 14.877,1272 7.542,1275 1.08,1280 55.094,1281 127.866,1282 325.223,1283 426.642,1284 468.7,1285 474.209,1286 474.209,1287 85.811,1288 9.374,1289 141.82,1290 141.82,1291 34,1292 13.041,1293 4.644,1294 3.907,1295 69.571,1296 378,1297 265,1298 0.086,1299 334.956,1300 582.8,1301 809.053,1302 263548,1304 31.175,1305 0.693,1306 0.58,1307 31.175,1308 26.092,1309 21.958,1310 0.439,1311 0.333,1312 16.509,1313 21.461,1314 16.201,1315 13.398,1316 21.958,1317 16.635,1318 19.578,1319 0.284,1320 0.185,1321 19.578,1322 12.731,1323 16.623,1324 0.181,1325 0.105,1326 16.623,1327 9.666,1328 13.553,1329 0.114,1330 0.059,1331 13.553,1332 7,1333 11.046,1334 0.073,1335 0.033,1336 11.046,1337 5.085,1338 0.148,1339 135.294,1340 0.171,1341 41.628,1342 0.205,1343 238,1344 541.427,1345 251.365,1346 539.782,1347 749.16,1348 506,1349 280,1350 557.723,1351 292.315,1352 571.302,1353 836.56,1354 542,1355 10.301} {0 CHEMBL229429,1 1.768,2 8.667,3 3.649,4 13.318,5 67.093,6 10.845,7 0.579,8 3.303,9 3.369,10 3.239,11 3.049,12 4.733,13 3.021,14 3.726,15 3.829,16 3.559,17 3.34,18 5.189,19 3.308,20 3.808,21 3.94,22 3.479,23 3.283,24 5.354,25 3.248,26 3.638,27 3.791,28 3.267,29 3.055,30 5.272,31 3.054,32 3.415,33 3.563,34 3.101,35 2.844,36 5.275,37 2.852,38 3.274,39 3.399,40 3.039,41 2.844,42 4.766,43 2.796,44 3.319,45 3.447,46 3.087,47 2.846,48 4.803,49 2.775,50 3.278,51 3.406,52 3.128,53 2.679,54 4.943,55 2.65,56 0.093,57 0.441,58 1.141,59 1.759,60 19.379,61 1.56,62 0.229,63 0.723,64 5.194,65 3.32,66 45.676,67 2.7,68 0.307,69 0.826,70 7.498,71 3.93,72 46.338,73 2.892,74 0.21,75 0.65,76 3.989,77 2.833,78 41.467,79 2.827,80 0.244,81 0.559,82 3.669,83 2.283,84 49.303,85 2.035,86 0.124,87 0.428,88 1.821,89 1.806,90 18.124,91 1.445,92 0.163,93 0.493,94 5.578,95 2.663,96 29.103,97 2.315,98 0.181,99 0.539,100 3.36,101 2.359,102 33.001,103 1.645,104 14,105 25,106 0.346,107 0.745,108 0.826,109 0.865,110 0.881,111 0.881,112 2.959,113 0.919,114 -3.81,115 -3.77,116 -3.58,119 54.2,125 1,139 2,140 3,141 2,142 1,144 1,149 1,156 1,159 1,169 6,172 3,178 7,182 3,189 6,193 2,199 3,203 4,211 2,215 2,222 2,226 1,233 1,236 1,244 1,249 1,259 358,260 12.204,261 12.204,262 12.204,263 12.204,264 12.204,265 10.587,266 13.793,267 7.257,268 12.567,269 9.271,270 9.271,271 9.271,272 9.271,273 9.271,274 6.615,275 12.695,276 3.333,277 9.94,278 2.817,279 0.781,280 0.365,281 0.167,282 0.083,283 0.083,284 3.614,288 1,289 1,290 321,291 2.55,294 52.464,295 62.52,302 1.259,303 26.78,306 1,307 0.83,308 1,309 0.4,311 1,312 1,313 0.75,314 40,315 156,316 4.329,317 4.06,318 5.739,319 3.79,320 2.811,321 3.958,322 2.035,323 8.153,324 2.757,325 4.147,326 3.149,327 5.627,328 3.621,329 2.713,330 3.766,331 1.013,332 7.808,333 2.462,334 3.796,335 3.017,336 5.015,337 3.097,338 2.125,339 2.989,341 6.002,342 2.064,343 3.531,344 2.679,345 4.839,346 2.906,347 1.968,348 2.667,350 5.474,351 1.815,352 3.19,353 2.472,354 4.718,355 2.801,356 1.863,357 2.391,359 5.197,360 1.717,361 2.878,362 2.187,363 3.311,364 1.726,365 0.858,366 1.334,368 1.914,369 0.723,370 2.739,371 1.496,372 3.17,373 1.431,374 0.548,375 0.957,377 1.324,378 0.479,379 2.2,380 0.799,381 2.816,382 1.37,383 0.429,384 0.852,386 0.638,387 0.402,388 1.478,389 0.612,390 2.619,391 1.103,392 0.297,393 0.348,395 0.436,396 0.234,397 0.974,398 0.199,399 2.367,400 0.528,401 -0.389,402 -0.498,404 -0.99,405 -0.34,406 0.904,407 -0.034,408 2.117,409 0.405,410 -0.554,411 -0.711,413 -1.477,414 -0.529,415 0.364,416 -0.054,417 1.716,418 -0.001,419 -0.933,420 -1.334,422 -2.248,423 -0.857,424 0.142,425 -0.688,426 1.344,427 -0.32,428 -1.208,429 -1.47,431 -2.863,432 -1.076,433 0.026,434 -0.996,435 1.111,436 -0.434,437 -1.34,438 -1.864,440 -3.621,441 -1.164,442 -0.271,443 -1.276,444 1,445 -0.718,446 -1.641,447 -2.374,449 -4.465,450 -1.453,451 8.705,452 0.484,453 0.379,454 0.021,455 25.75,456 1.431,457 15,458 0.833,459 10.75,460 0.597,461 10.449,462 0.58,463 17.695,464 0.737,465 15.992,466 0.888,467 5.131,468 0.285,469 3.576,470 0.199,471 0.112,473 0.287,474 1,477 1,479 0.531,480 0.742,481 0.628,482 0.735,483 0.526,484 0.709,485 0.88,486 0.907,487 1.006,488 0.958,489 0.791,490 0.858,491 0.912,492 0.907,493 1.224,494 1.16,495 0.942,496 1.155,497 0.906,498 1.059,499 0.637,500 0.877,501 0.988,502 0.985,503 1.09,504 0.943,505 0.721,506 0.711,507 0.943,508 0.81,509 0.708,510 0.817,511 0.905,512 0.861,513 0.682,514 0.991,515 0.659,516 0.923,517 1.423,518 1.338,519 0.63,520 1.137,521 1.261,522 1.363,523 1.127,524 1.361,525 1.291,526 1.248,527 4.5,528 0.029,529 1.111,530 1.257,531 0.983,532 0.208,533 0.275,534 0.149,535 0.149,536 0.09,537 2804,538 12792,539 1.994,540 25,542 5,543 1,550 1.582,551 1.862,552 3.114,553 -0.709,557 1,559 42.424,560 1.768,561 3.804,562 4.22,563 4.418,564 4.502,565 4.502,566 2.503,567 3.948,568 4.143,569 3.225,570 493.478,571 7.01,572 4787.7,574 1,576 1,577 110.039,578 1.415,579 4.096,580 0.237,581 0.007,582 0.044,583 0.057,584 0.052,585 0.013,586 0.02,587 0.011,588 0.012,589 0.013,590 0.466,591 0.83,592 1,593 1.015,594 77.593,595 -0.017,596 -0.015,597 0.022,598 0.036,599 -0.015,600 0.015,601 -0.117,602 -0.035,603 -0.103,604 -0.022,605 -0.083,606 -0.003,607 -0.05,608 0.005,609 -0.261,610 -0.201,611 -0.138,612 -0.232,613 -0.052,614 -0.21,615 0.113,616 -0.072,617 -0.073,618 -0.006,619 -0.051,620 0.057,621 0.035,622 0.122,623 0.12,624 0.101,625 -0.104,626 -0.065,627 -0.07,628 -0.008,629 -0.068,630 -0.126,631 0.103,632 -0.071,633 -0.152,634 -0.191,635 0.104,636 -0.111,637 -0.089,638 -0.249,639 0.048,640 -0.254,641 -0.141,642 -0.307,643 2.18,644 5.117,645 0.611,646 12.321,647 1.04,648 1.118,649 2.578,650 6.645,651 0.784,652 2.996,653 3.258,654 3.434,655 3.638,656 3.689,657 3.611,658 3.555,659 3.555,660 3.638,661 3.638,662 5.156,663 0.774,664 260.28,665 2.996,666 4.489,667 5.293,668 6.138,669 6.957,670 7.804,671 8.629,672 9.475,673 10.301,674 11.147,675 8.3,684 1,685 1,688 4,689 1,692 1,693 5,695 11,697 1,713 1,714 24,716 13,717 1,718 19,720 25,721 13,722 9,723 3,724 3,727 1,730 2,731 2,736 1,744 3,745 9,746 1,761 1,762 2,764 6,765 4,767 5,768 1,773 2,777 1,792 1,793 1,800 2,819 2,821 1,825 2,827 18,833 1,840 2,841 1,843 1,845 3,846 2,854 9.667,855 4.686,856 4.167,857 1.313,858 3.139,859 1.522,860 0.98,861 3.776,862 9.15,863 3.384,864 3.927,865 4.539,866 5.09,867 5.553,868 5.844,869 6.222,870 6.551,871 6.956,872 7.321,873 0.833,874 22,875 6.596,877 2.768,878 8.398,879 11.847,881 9.146,883 2.898,884 52.167,888 70.627,889 145.667,890 47.845,893 29.92,894 31.278,895 114.389,896 70.627,897 77.765,899 8.47,900 36.078,901 34.317,902 49.308,903 75.752,904 90.133,906 70.627,907 162.234,908 29.92,909 31.278,911 100.547,915 43.216,916 68.172,917 50.847,918 31.278,919 100.547,920 47.845,921 145.667,924 70.627,925 58.926,926 36.078,927 50.663,928 77.765,929 70.627,930 77.765,931 145.667,933 0.563,934 0.324,935 0.172,936 0.087,937 11,938 5,942 1,943 3.097,944 117.95,946 11,947 75.059,948 1,951 12.368,952 5.496,953 3.206,955 77.765,956 5.483,957 3.92,960 1.18,961 0.885,964 294.059,965 28.5,975 24.956,976 26.842,977 0.386,978 0.83,979 0.92,980 0.964,981 0.982,982 0.982,983 4.603,984 0.429,985 5.252,986 1.324,987 3.932,988 4.61,989 2.428,990 5.969,991 3.808,992 5.841,993 0.297,994 6.751,995 0.638,996 3.434,997 4.227,999 6.629,1000 3.273,1001 7.147,1002 -0.389,1003 8.334,1004 0.436,1005 5.442,1006 6.81,1007 3.621,1008 9.623,1009 5.228,1010 8.482,1011 -0.554,1012 9.961,1013 -0.99,1014 5.707,1015 7.243,1017 11.01,1018 5.435,1019 9.84,1020 -0.933,1021 11.615,1022 -1.477,1023 7.174,1024 9.224,1025 4.977,1026 13.496,1027 6.878,1028 11.215,1029 -1.208,1030 13.285,1031 -2.248,1032 7.804,1033 10.062,1035 15.222,1036 7.447,1037 12.603,1038 -1.34,1039 14.966,1040 -2.863,1041 9.036,1042 11.758,1043 6.381,1044 17.497,1045 8.664,1046 2.811,1047 -1.641,1048 16.656,1049 -3.621,1050 9.856,1051 12.822,1053 19.397,1054 9.429,1055 2.713,1056 8.153,1057 18.353,1058 -4.465,1059 10.977,1060 14.369,1061 7.798,1062 21.575,1063 10.536,1064 2.125,1065 7.808,1066 20.056,1067 3.958,1068 11.896,1069 15.56,1071 23.564,1072 11.408,1073 1.968,1074 6.002,1075 21.763,1076 3.766,1077 12.965,1078 17.025,1079 9.218,1080 25.695,1081 12.46,1082 1.863,1083 5.474,1084 23.474,1085 2.989,1086 13.934,1087 18.289,1089 27.73,1090 13.392,1091 0.858,1092 5.197,1093 25.188,1094 2.667,1095 14.977,1096 19.709,1097 10.638,1098 29.838,1099 14.417,1100 0.548,1101 1.914,1102 26.906,1103 2.391,1104 15.972,1105 21.014,1107 31.896,1108 15.381,1109 2873,1110 6222,1111 12.425,1112 18.818,1113 29.62,1114 30.762,1115 28.366,1116 27.111,1117 27.226,1118 38.525,1119 6.096,1120 73.889,1121 25.304,1122 4.896,1123 6.06,1124 5.295,1125 4.863,1126 4.811,1127 6.958,1128 4.069,1129 14.153,1130 4.757,1131 9.036,1132 1.559,1133 1.619,1134 1.493,1135 1.427,1136 1.433,1137 2.028,1138 0.321,1139 3.889,1140 1.332,1141 3.963,1142 3.981,1143 4.224,1144 3.926,1145 8.202,1146 3.911,1147 3.818,1148 3.837,1149 3.898,1150 3.801,1151 8.195,1152 3.745,1153 3.295,1154 3.333,1155 3.302,1156 3.22,1157 6.82,1158 3.212,1159 3.16,1160 3.214,1161 3.131,1162 2.979,1163 4.961,1164 3.003,1165 2.987,1166 3.033,1167 2.993,1168 2.808,1169 4.612,1170 2.804,1171 2.603,1172 2.657,1173 2.678,1174 2.495,1175 4.216,1176 2.464,1177 2.458,1178 2.525,1179 2.404,1180 2.293,1181 3.449,1182 2.296,1183 2.122,1184 2.233,1185 2.14,1186 1.805,1187 3.358,1188 1.825,1189 0.228,1190 0.214,1191 0.302,1192 0.199,1193 0.148,1194 4.329,1195 0.208,1196 4.06,1197 0.107,1198 5.739,1199 0.429,1200 3.79,1201 0.145,1202 2.811,1203 3.958,1204 2.035,1205 8.153,1206 2.757,1207 1.917,1208 1.9,1209 1.983,1210 1.986,1211 1.054,1212 1.985,1213 1.498,1214 1.481,1215 1.579,1216 1.657,1217 0.784,1218 1.642,1219 1.436,1220 1.418,1221 1.481,1222 1.516,1223 0.55,1224 1.549,1225 1.117,1226 1.081,1227 1.193,1228 1.286,1229 0.178,1230 1.257,1231 0.939,1232 0.907,1233 1.078,1234 1.078,1235 0.102,1236 1.092,1237 0.616,1238 0.562,1239 0.765,1240 0.817,1242 0.861,1243 0.47,1244 0.395,1245 0.701,1246 0.73,1248 0.735,1249 0.344,1250 0.275,1251 0.497,1252 0.555,1254 0.572,1255 3.664,1257 4.934,1258 2.398,1259 6.382,1260 4.595,1261 7.909,1262 6.555,1263 9.481,1267 25.385,1271 -0.62,1278 8.69,1279 7.244,1280 18.577,1281 42.424,1282 91.284,1283 101.284,1284 106.039,1285 108.039,1286 108.039,1287 35.362,1288 6.011,1289 36.68,1290 64.92,1291 11,1292 11.712,1293 3.807,1294 3.392,1295 31.16,1296 56,1297 54,1298 0.279,1299 121.453,1300 215.83,1301 288.106,1302 2643,1303 8.3,1304 12.958,1305 0.72,1306 0.55,1307 11.734,1308 9.892,1309 8.707,1310 0.458,1311 0.306,1312 4.935,1313 7.894,1314 4.755,1315 3.933,1316 8.229,1317 5.821,1318 7.483,1319 0.299,1320 0.172,1321 7.306,1322 4.293,1323 5.926,1324 0.198,1325 0.095,1326 5.873,1327 2.841,1328 4.75,1329 0.128,1330 0.05,1331 4.662,1332 1.866,1333 3.402,1334 0.087,1335 0.026,1336 3.308,1337 0.997,1338 0.438,1339 59.472,1340 0.284,1341 18.335,1342 0.758,1343 88,1344 418.373,1345 120.084,1346 379.798,1347 486.53,1348 352,1349 99,1350 306.625,1351 126.623,1352 322.778,1353 461.22,1354 300,1355 5} {0 CHEMBL22960,1 1.358,2 26.44,3 8.055,4 64.883,5 206.083,6 6.387,7 0.364,8 4.72,9 4.866,10 4.146,11 4.267,12 5.674,13 4.208,14 5.306,15 5.503,16 4.484,17 4.708,18 6.219,19 4.605,20 5.644,21 5.905,22 4.53,23 4.866,24 6.451,25 4.721,26 5.692,27 5.962,28 4.466,29 4.87,30 6.474,31 4.706,32 5.703,33 5.994,34 4.395,35 4.833,36 6.403,37 4.65,38 5.659,39 5.948,40 4.371,41 4.774,42 6.416,43 4.594,44 5.616,45 5.909,46 4.233,47 4.701,48 6.35,49 4.509,50 5.563,51 5.861,52 4.14,53 4.618,54 6.291,55 4.424,56 0.14,57 1.541,58 25.481,59 10.246,60 16.271,61 14.816,62 0.347,63 2.535,64 45.863,65 18.354,66 49.593,67 26.69,68 0.458,69 3.2,70 64.546,71 24.309,72 66.387,73 35.98,74 0.498,75 3.289,76 67.729,77 25.251,78 68.608,79 37.537,80 0.464,81 3.221,82 68.184,83 25.741,84 55.826,85 38.347,86 0.594,87 3.091,88 65.575,89 24.265,90 67.863,91 36.263,92 0.541,93 2.917,94 62.979,95 22.848,96 65.261,97 34.182,98 0.505,99 2.714,100 59.873,101 21.191,102 60.356,103 31.901,104 21,105 74,106 0.195,107 0.485,108 0.639,109 0.712,110 0.737,111 0.757,112 3.934,113 1.044,114 -5.19,115 -5.09,116 -4.76,119 39.6,121 16,125 2,127 2,134 2,135 2,140 6,141 6,149 2,150 2,156 2,161 2,162 2,163 2,169 29,172 2,173 2,174 2,176 14,178 32,180 2,182 4,186 16,189 29,191 4,193 4,197 14,199 24,201 4,203 2,208 10,211 27,213 2,215 2,218 2,219 2,220 6,221 2,222 26,224 2,226 4,230 2,231 8,233 19,235 4,237 4,242 10,244 16,246 4,254 6,256 17,259 7080,260 34.379,261 34.379,262 34.379,263 34.379,264 34.379,265 31.389,266 26.788,267 20.892,268 34.579,269 27.203,270 27.203,271 27.203,272 27.203,273 27.203,274 22.559,275 31.703,276 10.025,277 27.522,278 5.37,279 3.351,280 2.279,281 1.769,282 1.595,283 1.453,284 4.646,290 2914,291 5.099,294 310.546,295 782.968,298 568.309,302 4.102,303 34.885,306 0.5,307 0.33,308 0.5,309 0.8,310 1,311 0.33,313 0.5,314 105,315 1322,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.618,326 3.509,327 6.724,328 4.172,329 3.181,330 4.552,331 0.98,332 10.962,333 3.154,334 4.056,335 3.201,336 5.943,337 3.719,338 2.715,339 3.498,340 0.4,341 8.308,342 2.724,343 4.056,344 3.201,345 5.943,346 3.719,347 2.715,348 3.498,349 0.4,350 8.308,351 2.724,352 3.822,353 2.778,354 5.687,355 3.516,356 2.531,357 3.182,359 7.524,360 2.487,361 3.822,362 2.778,363 5.687,364 3.516,365 2.531,366 3.182,368 7.524,369 2.487,370 3.41,371 2.434,372 5.308,373 3.21,374 2.233,375 2.506,377 6.787,378 2.177,379 3.41,380 2.434,381 5.308,382 3.21,383 2.233,384 2.506,386 6.787,387 2.177,388 3.015,389 1.957,390 4.586,391 2.944,392 1.945,393 2.161,395 4.461,396 1.943,397 3.011,398 1.911,399 4.586,400 2.793,401 1.798,402 2.16,404 4.461,405 1.789,406 2.938,407 1.901,408 4.048,409 2.593,410 1.606,411 1.974,413 3.9,414 1.583,415 2.887,416 1.822,417 4.047,418 2.519,419 1.531,420 1.97,422 3.621,423 1.511,424 2.885,425 1.691,426 3.951,427 2.474,428 1.482,429 1.935,431 3.377,432 1.469,433 2.783,434 1.62,435 3.817,436 2.361,437 1.365,438 1.785,440 3.347,441 1.348,442 2.589,443 1.542,444 3.75,445 2.357,446 1.358,447 1.588,449 3.141,450 1.345,451 24.067,452 0.481,453 0.972,454 0.019,455 52.5,456 1.05,457 22,458 0.44,459 30.5,460 0.61,461 60.778,462 1.216,463 55.733,464 0.526,465 39.256,466 0.785,467 9.136,468 0.183,469 15.322,470 0.306,471 0.061,473 0.291,479 0.901,480 1.19,481 0.983,482 1.065,483 0.708,484 1.027,485 0.655,486 1.215,487 1.02,488 1.171,489 0.42,490 1.133,491 0.854,492 1.035,493 0.954,494 1.008,495 0.668,496 0.992,497 0.873,498 1.05,499 1.023,500 1.057,501 0.759,502 1.053,503 0.665,504 0.997,505 0.907,506 0.999,507 0.576,508 0.978,509 0.599,510 1.012,511 0.917,512 1.031,513 0.495,514 1.006,515 0.854,516 0.995,517 1.003,518 1.03,519 0.79,520 1.03,521 1.014,522 0.995,523 1.003,524 0.997,525 1.031,526 0.999,527 7.5,528 0.172,529 5.111,530 2.139,531 1.921,532 1.41,533 0.999,534 0.516,535 0.317,536 0.274,537 76589,538 162017,539 2.12,540 52.8,541 20,542 14,543 2,545 8,547 12,550 1.837,551 2.027,552 4.601,553 4.204,559 143.961,560 1.358,561 3.377,562 4.449,563 4.959,564 5.133,565 5.275,566 3.974,567 4.404,568 5.623,569 4.891,570 5991.52,571 9.901,572 158074,577 713.16,578 1.218,579 5.594,580 0.136,581 0.004,582 0.069,583 0.029,584 0.028,585 0.022,586 0.017,587 0.01,588 0.007,589 0.007,590 0.329,592 0.5,593 0.59,594 322.237,595 -0.078,596 0.089,597 0.032,598 0.091,599 -0.036,600 0.077,601 0.089,602 -0.064,603 -0.031,604 -0.064,605 0.176,606 -0.06,607 -0.022,608 -0.016,609 0.026,610 0.016,611 0.066,612 0.024,613 -0.046,614 -0.046,615 -0.046,616 -0.047,617 -0.004,618 -0.046,619 0.031,620 -0.042,621 0.053,623 0.032,624 0.024,625 0.16,626 -0.045,627 0.05,628 -0.042,629 0.14,630 -0.012,631 0.012,632 -0.038,633 -0.028,634 -0.055,635 0.007,636 -0.047,637 -0.045,638 -0.055,639 -0.021,640 -0.034,641 -0.058,642 -0.027,643 2.048,644 4.644,645 0.6,646 97.024,647 0.984,648 1.13,649 3.964,650 15.711,651 0.641,652 4.025,653 4.317,654 4.585,655 4.828,656 5.063,657 5.198,658 5.328,659 5.407,660 5.455,661 5.509,662 15.777,663 0.592,664 677.04,665 4.025,666 5.557,667 6.399,668 7.261,669 8.125,670 8.999,671 9.875,672 10.758,673 11.643,674 12.532,675 5.7,677 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,701 2,714 106,716 24,717 2,718 55,720 111,721 42,722 16,723 6,724 6,725 6,730 6,731 8,740 8,743 18,745 22,746 20,750 4,755 2,757 2,759 4,764 56,765 6,766 8,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,810 2,811 2,814 2,819 4,827 50,828 2,833 18,834 2,837 2,847 1.9,850 2,854 24.667,855 18,856 11.139,857 7.181,858 4.73,859 1.5,860 0.999,861 13.176,862 14.185,863 4.248,864 4.8,865 5.39,866 5.987,867 6.522,868 6.955,869 7.361,870 7.684,871 7.805,872 8.036,873 0.941,874 75,875 18.61,877 7.892,878 7.533,879 37.081,881 31.65,883 2.033,884 101.667,888 565.013,889 176.626,890 135.387,892 50.29,895 176.626,896 615.303,897 135.387,899 110.558,900 129.926,901 59.699,902 57.83,903 27.83,904 541.471,906 565.013,907 312.013,908 50.29,911 423.76,912 191.543,915 180.151,916 112.909,917 18.952,919 565.013,920 185.677,921 176.626,924 565.013,925 82.721,926 93.905,927 69.593,928 116.084,929 565.013,930 185.677,931 176.626,933 0.571,934 0.326,935 0.17,936 0.094,937 32,938 14,939 0.171,940 19,941 2,942 1.133,943 6.339,944 480.624,945 0.133,946 30,947 232.193,951 36.315,952 18.142,953 9.862,954 4.266,955 152.106,956 15.42,958 6.685,961 3.526,963 135.387,964 927.315,965 69,970 23.288,972 4.748,974 1.971,975 104.355,976 119.789,977 0.202,978 0.502,979 0.661,980 0.737,981 0.763,982 0.784,983 5.485,984 2.233,985 6.354,986 6.787,987 5.004,988 5.489,989 1.701,990 7.133,991 4.982,992 6.659,993 1.945,994 7.889,995 6.787,996 4.443,997 5.278,999 7.995,1000 4.426,1001 7.953,1002 1.798,1003 9.53,1004 4.461,1005 6.558,1006 7.677,1007 1.566,1008 11.106,1009 6.519,1010 9.288,1011 1.606,1012 11.237,1013 4.461,1014 6.889,1015 8.414,1017 12.865,1018 6.853,1019 10.664,1020 1.531,1021 12.988,1022 3.9,1023 8.413,1024 10.26,1025 1.516,1026 15.48,1027 8.362,1028 12.069,1029 1.482,1030 14.769,1031 3.621,1032 9.164,1033 11.424,1035 17.601,1036 9.113,1037 13.498,1038 1.365,1039 16.573,1040 3.377,1041 10.449,1042 13.061,1043 1.482,1044 20.061,1045 10.386,1046 3.181,1047 1.358,1048 18.393,1049 3.347,1050 11.404,1051 14.419,1053 22.336,1054 11.338,1055 3.181,1056 10.962,1057 20.227,1058 3.141,1059 12.592,1060 15.976,1061 1.45,1062 24.746,1063 12.516,1064 2.715,1065 10.962,1066 22.07,1067 4.552,1068 13.646,1069 17.42,1071 27.087,1072 13.564,1073 2.715,1074 8.308,1075 23.923,1076 4.552,1077 14.799,1078 18.948,1079 1.419,1080 29.482,1081 14.709,1082 2.531,1083 8.308,1084 25.782,1085 3.498,1086 15.9,1087 20.43,1089 31.852,1090 15.802,1091 2.531,1092 7.524,1093 27.647,1094 3.498,1095 17.044,1096 21.948,1097 1.388,1098 34.245,1099 16.937,1100 2.233,1101 7.524,1102 29.518,1103 3.182,1104 18.168,1105 23.448,1107 36.628,1108 18.053,1109 70252,1110 102650,1111 37.561,1112 67.978,1113 81.761,1114 82.812,1115 82.741,1116 81.091,1117 81.14,1118 101.472,1119 5.519,1120 224.53,1121 80.218,1122 5.607,1123 5.509,1124 6.683,1125 5.2,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 22.315,1132 1.487,1133 1.506,1134 1.504,1135 1.474,1136 1.475,1137 1.845,1138 0.1,1139 4.082,1140 1.459,1141 4.175,1142 4.207,1143 4.132,1144 4.098,1145 7.439,1146 4.102,1147 4.128,1148 4.157,1149 4.091,1150 4.054,1151 7.435,1152 4.059,1153 3.879,1154 3.938,1155 3.761,1156 3.764,1157 4.999,1158 3.755,1159 3.849,1160 3.904,1161 3.742,1162 3.742,1163 4.963,1164 3.735,1165 3.792,1166 3.849,1167 3.643,1168 3.686,1169 4.863,1170 3.668,1171 3.686,1172 3.75,1173 3.538,1174 3.562,1175 4.863,1176 3.544,1177 3.577,1178 3.633,1179 3.5,1180 3.419,1181 4.465,1182 3.422,1183 3.547,1184 3.592,1185 3.469,1186 3.374,1187 4.441,1188 3.39,1189 0.084,1190 0.064,1191 0.122,1192 0.076,1193 0.058,1194 4.618,1195 0.083,1196 3.509,1197 0.018,1198 6.724,1199 0.199,1200 4.172,1201 0.057,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.978,1208 1.958,1209 2.098,1210 2.061,1211 1.447,1212 2.074,1213 1.978,1214 1.958,1215 2.092,1216 2.06,1217 1.419,1218 2.072,1219 1.868,1220 1.823,1221 2.064,1222 2.009,1223 1.405,1224 2.021,1225 1.864,1226 1.821,1227 2.006,1228 2.002,1229 1.324,1230 2.006,1231 1.817,1232 1.759,1233 1.995,1234 1.963,1235 1.178,1236 1.987,1237 1.716,1238 1.653,1239 1.962,1240 1.878,1241 1.158,1242 1.911,1243 1.572,1244 1.504,1245 1.835,1246 1.764,1247 1.145,1248 1.789,1249 1.479,1250 1.419,1251 1.682,1252 1.692,1253 0.966,1254 1.686,1255 4.71,1257 6.009,1258 3.045,1259 7.494,1260 5.416,1261 9.071,1262 7.535,1263 10.702,1269 11.012,1271 22.058,1272 7.575,1275 1.119,1280 62.728,1281 143.961,1282 357.99,1283 471.611,1284 525.65,1285 544.14,1286 559.16,1287 102.832,1288 9.455,1289 141.82,1290 141.82,1291 34,1292 13.063,1293 4.644,1294 3.907,1295 81.897,1296 497,1297 341,1298 0.075,1299 382.918,1300 669.3,1301 926.08,1302 326048,1304 34.71,1305 0.694,1306 0.593,1307 34.71,1308 29.627,1309 24.458,1310 0.445,1311 0.348,1312 19.009,1313 23.961,1314 18.652,1315 15.481,1316 24.458,1317 19.135,1318 21.346,1319 0.288,1320 0.196,1321 21.346,1322 14.499,1323 17.873,1324 0.184,1325 0.113,1326 17.873,1327 10.916,1328 14.436,1329 0.116,1330 0.064,1331 14.436,1332 7.884,1333 11.671,1334 0.074,1335 0.036,1336 11.671,1337 5.71,1338 0.132,1339 150.294,1340 0.163,1341 45.823,1342 0.176,1343 258,1344 561.427,1345 271.365,1346 560.59,1347 777.96,1348 526,1349 300,1350 577.723,1351 312.315,1352 592.11,1353 865.36,1354 562,1355 9.481} {0 CHEMBL22961,1 1.395,2 23.217,3 6.23,4 38.815,5 187.679,6 6.606,7 0.392,8 4.612,9 4.754,10 4.069,11 4.163,12 5.6,13 4.113,14 5.187,15 5.377,16 4.422,17 4.607,18 6.142,19 4.516,20 5.519,21 5.769,22 4.469,23 4.765,24 6.371,25 4.635,26 5.573,27 5.833,28 4.401,29 4.77,30 6.396,31 4.618,32 5.586,33 5.871,34 4.325,35 4.729,36 6.318,37 4.557,38 5.536,39 5.818,40 4.299,41 4.663,42 6.333,43 4.495,44 5.487,45 5.774,46 4.151,47 4.581,48 6.261,49 4.401,50 5.427,51 5.718,52 4.049,53 4.488,54 6.196,55 4.305,56 0.122,57 1.386,58 22.06,59 8.858,60 15.657,61 12.689,62 0.31,63 2.277,64 39.883,65 15.983,66 47.487,67 23.065,68 0.415,69 2.88,70 56.886,71 21.323,72 63.544,73 31.345,74 0.458,75 2.973,76 60.271,77 22.317,78 66.86,79 32.988,80 0.426,81 2.908,82 61.177,83 22.898,84 54.795,85 34.023,86 0.549,87 2.779,88 58.449,89 21.409,90 65.17,91 31.927,92 0.504,93 2.607,94 55.964,95 20.003,96 65.176,97 29.843,98 0.472,99 2.404,100 52.959,101 18.374,102 61.992,103 27.586,104 21,105 70,106 0.205,107 0.518,108 0.681,109 0.752,110 0.765,111 0.765,112 3.852,113 1.008,114 -4.51,115 -4.44,116 -4.18,119 40.4,121 12,125 2,127 2,134 2,135 2,140 6,141 6,149 2,150 2,156 2,161 2,162 2,163 2,169 25,172 2,173 2,174 2,176 14,178 28,180 2,182 4,186 16,189 25,191 4,193 4,197 14,199 20,201 4,203 2,208 10,211 23,213 2,215 2,218 2,219 2,220 6,221 2,222 22,224 2,226 4,230 2,231 8,233 16,235 4,237 4,242 8,244 14,246 4,253 1,254 4,256 16,259 5288,260 31.551,261 31.551,262 31.551,263 31.551,264 31.551,265 28.561,266 26.788,267 18.892,268 31.751,269 25.203,270 25.203,271 25.203,272 25.203,273 25.203,274 20.559,275 31.703,276 9.025,277 25.522,278 5.16,279 3.021,280 1.91,281 1.426,282 1.34,283 1.34,284 4.566,290 2366,291 4.69,294 272.622,295 688.116,298 499.794,302 3.599,303 34.684,306 0.5,307 0.33,308 0.5,309 0.8,310 0.5,311 0.33,313 0.42,314 97,315 1068,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.618,326 3.509,327 6.724,328 4.172,329 3.181,330 4.552,331 0.98,332 10.962,333 3.154,334 4.056,335 3.201,336 5.943,337 3.719,338 2.715,339 3.498,340 0.4,341 8.308,342 2.724,343 4.056,344 3.201,345 5.943,346 3.719,347 2.715,348 3.498,349 0.4,350 8.308,351 2.724,352 3.822,353 2.778,354 5.687,355 3.516,356 2.531,357 3.182,359 7.524,360 2.488,361 3.822,362 2.778,363 5.687,364 3.515,365 2.53,366 3.182,368 7.524,369 2.487,370 3.41,371 2.434,372 5.308,373 3.211,374 2.234,375 2.506,377 6.787,378 2.178,379 3.409,380 2.433,381 5.308,382 3.209,383 2.232,384 2.506,386 6.787,387 2.176,388 3.016,389 1.931,390 4.586,391 2.89,392 1.893,393 2.162,395 4.462,396 1.887,397 3.009,398 1.907,399 4.586,400 2.633,401 1.648,402 2.159,404 4.461,405 1.623,406 2.896,407 1.884,408 4.048,409 2.522,410 1.535,411 1.973,413 3.808,414 1.514,415 2.886,416 1.73,417 4.047,418 2.479,419 1.489,420 1.968,422 3.405,423 1.474,424 2.869,425 1.632,426 3.908,427 2.36,428 1.365,429 1.879,431 3.355,432 1.348,433 2.619,434 1.557,435 3.752,436 2.357,437 1.358,438 1.623,440 3.223,441 1.344,442 2.566,443 1.398,444 3.748,445 2.189,446 1.207,447 1.548,449 2.72,450 1.182,451 22.067,452 0.48,453 0.972,454 0.021,455 50.5,456 1.098,457 22,458 0.478,459 28.5,460 0.62,461 52.449,462 1.14,463 50.533,464 0.538,465 38.629,466 0.84,467 9.136,468 0.199,469 13.322,470 0.29,471 0.066,473 0.317,479 0.899,480 1.159,481 0.944,482 1.019,483 0.709,484 0.98,485 0.652,486 1.186,487 0.982,488 1.135,489 0.419,490 1.096,491 0.872,492 1.042,493 0.963,494 1.015,495 0.683,496 1,497 0.886,498 1.057,499 1.04,500 1.07,501 0.772,502 1.069,503 0.669,504 0.997,505 0.908,506 1.004,507 0.582,508 0.984,509 0.604,510 1.015,511 0.921,512 1.04,513 0.502,514 1.015,515 0.874,516 0.998,517 1.019,518 1.04,519 0.811,520 1.043,521 1.049,522 0.999,523 1.021,524 1.003,525 1.068,526 1.008,527 7.5,528 0.172,529 5.111,530 2.139,531 1.921,532 1.41,533 0.999,534 0.516,535 0.317,536 0.274,537 57417,538 127149,539 2.13,540 51.1,541 12,542 14,543 2,545 8,547 12,550 1.819,551 2.029,552 4.424,553 4.326,559 131.122,560 1.395,561 3.534,562 4.645,563 5.129,564 5.214,565 5.214,566 3.795,567 4.263,568 5.502,569 4.699,570 4862.96,571 9.667,572 114722,577 616.131,578 1.265,579 5.471,580 0.147,581 0.005,582 0.073,583 0.03,584 0.03,585 0.024,586 0.018,587 0.011,588 0.008,589 0.007,590 0.353,592 0.5,593 0.623,594 286.633,595 -0.091,596 0.1,597 0.03,598 0.103,599 -0.05,600 0.086,601 0.086,602 -0.044,603 -0.019,604 -0.045,605 0.172,606 -0.043,607 -0.038,608 -0.02,609 0.011,610 0.008,611 0.054,612 0.014,613 -0.061,614 -0.053,615 -0.067,616 -0.06,617 -0.017,618 -0.063,619 0.026,620 -0.047,621 0.053,622 -0.004,623 0.027,624 0.023,625 0.158,626 -0.051,627 0.048,628 -0.051,629 0.137,630 -0.019,631 0.002,632 -0.043,633 -0.04,634 -0.065,635 -0.003,636 -0.058,637 -0.061,638 -0.061,639 -0.032,640 -0.04,641 -0.074,642 -0.034,643 2.053,644 4.635,645 0.652,646 79.607,647 0.987,648 1.129,649 3.281,650 10.764,651 0.648,652 3.951,653 4.263,654 4.543,655 4.796,656 5.037,657 5.176,658 5.308,659 5.389,660 5.438,661 5.493,662 13.835,663 0.602,664 620.92,665 3.951,666 5.493,667 6.344,668 7.215,669 8.086,670 8.967,671 9.849,672 10.736,673 11.625,674 12.517,675 6.4,677 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,701 2,714 94,716 24,717 2,718 51,720 99,721 38,722 16,723 6,724 6,725 6,730 6,731 8,740 8,743 14,745 22,746 16,750 4,755 2,757 2,759 4,764 48,765 6,766 8,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,810 2,811 2,814 2,819 4,827 46,828 2,833 14,834 2,837 2,847 2.1,850 2,854 22.667,855 16,856 10.139,857 6.181,858 4.787,859 1.51,860 1.011,861 10.871,862 14.178,863 4.19,864 4.766,865 5.372,866 5.977,867 6.516,868 6.951,869 7.359,870 7.682,871 7.803,872 8.035,873 0.933,874 71,875 17.098,877 7.322,878 7.58,879 33.815,881 28.983,883 2.08,884 95.667,888 470.844,889 166.488,890 135.387,892 50.29,895 166.488,896 521.134,897 135.387,899 100.42,900 129.926,901 59.699,902 57.83,903 27.83,904 447.302,906 470.844,907 301.874,908 50.29,911 329.591,912 191.543,915 170.013,916 112.909,917 18.952,919 470.844,920 185.677,921 166.488,924 470.844,925 72.583,926 93.905,927 69.593,928 116.084,929 470.844,930 185.677,931 166.488,933 0.577,934 0.333,935 0.174,936 0.097,937 32,938 14,939 0.152,940 15,941 2,942 1.133,943 5.898,944 444.215,945 0.133,946 30,947 208.084,951 32.46,952 15.406,953 8.097,954 4.24,955 152.106,956 15.373,958 6.672,961 3.5,963 135.387,964 823.008,965 65,970 23.27,972 4.729,974 1.944,975 92.821,976 106.128,977 0.213,978 0.539,979 0.709,980 0.783,981 0.795,982 0.795,983 5.434,984 2.232,985 6.312,986 6.787,987 4.949,988 5.455,989 1.701,990 7.107,991 4.926,992 6.622,993 1.893,994 7.859,995 6.787,996 4.443,997 5.278,999 7.995,1000 4.426,1001 7.926,1002 1.648,1003 9.509,1004 4.462,1005 6.524,1006 7.666,1007 1.566,1008 11.1,1009 6.483,1010 9.269,1011 1.535,1012 11.223,1013 4.461,1014 6.889,1015 8.414,1017 12.865,1018 6.853,1019 10.651,1020 1.489,1021 12.979,1022 3.808,1023 8.395,1024 10.257,1025 1.516,1026 15.479,1027 8.343,1028 12.06,1029 1.365,1030 14.764,1031 3.405,1032 9.164,1033 11.424,1035 17.601,1036 9.113,1037 13.492,1038 1.358,1039 16.57,1040 3.355,1041 10.44,1042 13.06,1043 1.482,1044 20.061,1045 10.377,1046 3.181,1047 1.207,1048 18.391,1049 3.223,1050 11.404,1051 14.419,1053 22.336,1054 11.338,1055 3.181,1056 10.962,1057 20.226,1058 2.72,1059 12.589,1060 15.976,1061 1.45,1062 24.746,1063 12.513,1064 2.715,1065 10.962,1066 22.07,1067 4.552,1068 13.646,1069 17.42,1071 27.087,1072 13.564,1073 2.715,1074 8.308,1075 23.922,1076 4.552,1077 14.798,1078 18.948,1079 1.419,1080 29.482,1081 14.707,1082 2.531,1083 8.308,1084 25.782,1085 3.498,1086 15.9,1087 20.43,1089 31.852,1090 15.802,1091 2.53,1092 7.524,1093 27.647,1094 3.498,1095 17.043,1096 21.948,1097 1.388,1098 34.245,1099 16.936,1100 2.234,1101 7.524,1102 29.518,1103 3.182,1104 18.168,1105 23.448,1107 36.628,1108 18.053,1109 52504,1110 78462,1111 34.789,1112 60.933,1113 76.733,1114 77.775,1115 77.682,1116 76,1117 76.052,1118 96.384,1119 5.519,1120 214.357,1121 75.13,1122 5.603,1123 5.509,1124 6.649,1125 5.203,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 20.93,1132 1.505,1133 1.525,1134 1.523,1135 1.49,1136 1.491,1137 1.89,1138 0.108,1139 4.203,1140 1.473,1141 4.174,1142 4.205,1143 4.131,1144 4.097,1145 7.439,1146 4.101,1147 4.128,1148 4.157,1149 4.091,1150 4.054,1151 7.435,1152 4.059,1153 3.875,1154 3.933,1155 3.76,1156 3.76,1157 4.998,1158 3.753,1159 3.845,1160 3.899,1161 3.74,1162 3.74,1163 4.963,1164 3.733,1165 3.754,1166 3.812,1167 3.607,1168 3.645,1169 4.863,1170 3.626,1171 3.598,1172 3.66,1173 3.506,1174 3.448,1175 4.863,1176 3.443,1177 3.555,1178 3.599,1179 3.487,1180 3.38,1181 4.465,1182 3.398,1183 3.522,1184 3.575,1185 3.388,1186 3.349,1187 4.44,1188 3.357,1189 0.091,1190 0.069,1191 0.132,1192 0.082,1193 0.062,1194 4.618,1195 0.089,1196 3.509,1197 0.019,1198 6.724,1199 0.215,1200 4.172,1201 0.062,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.978,1208 1.958,1209 2.097,1210 2.062,1211 1.433,1212 2.075,1213 1.978,1214 1.958,1215 2.09,1216 2.059,1217 1.415,1218 2.07,1219 1.868,1220 1.824,1221 2.039,1222 2.009,1223 1.381,1224 2.015,1225 1.862,1226 1.82,1227 1.999,1228 1.999,1229 1.204,1230 2.003,1231 1.782,1232 1.723,1233 1.988,1234 1.931,1235 1.159,1236 1.961,1237 1.61,1238 1.542,1239 1.865,1240 1.797,1241 1.15,1242 1.822,1243 1.481,1244 1.422,1245 1.669,1246 1.696,1247 0.924,1248 1.687,1249 1.446,1250 1.385,1251 1.62,1252 1.668,1253 0.78,1254 1.657,1255 4.635,1257 5.948,1258 3.045,1259 7.448,1260 5.416,1261 9.038,1262 7.535,1263 10.679,1269 10.999,1271 16.298,1272 7.55,1275 1.091,1280 56.621,1281 131.122,1282 332.196,1283 436.622,1284 482.131,1285 490.131,1286 490.131,1287 89.089,1288 9.391,1289 141.82,1290 141.82,1291 34,1292 13.045,1293 4.644,1294 3.907,1295 71.971,1296 401,1297 279,1298 0.083,1299 344.549,1300 600.1,1301 832.458,1302 275654,1304 31.882,1305 0.693,1306 0.583,1307 31.882,1308 26.799,1309 22.458,1310 0.44,1311 0.336,1312 17.009,1313 21.961,1314 16.691,1315 13.815,1316 22.458,1317 17.135,1318 19.932,1319 0.285,1320 0.187,1321 19.932,1322 13.085,1323 16.873,1324 0.181,1325 0.107,1326 16.873,1327 9.916,1328 13.729,1329 0.114,1330 0.06,1331 13.729,1332 7.177,1333 11.171,1334 0.073,1335 0.034,1336 11.171,1337 5.21,1338 0.144,1339 138.294,1340 0.17,1341 42.484,1342 0.198,1343 242,1344 545.427,1345 255.365,1346 543.944,1347 754.92,1348 510,1349 284,1350 561.723,1351 296.315,1352 575.463,1353 842.32,1354 546,1355 9.959} {0 CHEMBL23038,1 1.844,2 8.5,3 3.18,4 10.114,5 92.881,6 10.061,7 0.5,8 3.75,9 3.848,10 3.725,11 3.404,12 4.795,13 3.332,14 4.3,15 4.443,16 4.116,17 3.802,18 5.582,19 3.72,20 4.554,21 4.744,22 4.123,23 3.928,24 5.714,25 3.798,26 4.561,27 4.757,28 4.324,29 3.839,30 5.792,31 3.726,32 4.408,33 4.573,34 4.345,35 3.791,36 5.737,37 3.682,38 4.305,39 4.457,40 4.144,41 3.789,42 5.522,43 3.608,44 4.353,45 4.531,46 3.742,47 3.571,48 5.582,49 3.422,50 4.025,51 4.231,52 3.204,53 3.241,54 5.144,55 3.102,56 0.089,57 0.581,58 6.222,59 3.892,60 17.665,61 4.161,62 0.267,63 0.943,64 12.525,65 6.434,66 43.049,67 7.448,68 0.267,69 1.162,70 28.192,71 9.757,72 35.595,73 10.605,74 0.456,75 1.08,76 37.195,77 9.535,78 70.016,79 9.758,80 0.539,81 0.922,82 27.064,83 7.962,84 61.585,85 8.463,86 0.26,87 0.867,88 39.085,89 9.577,90 48.454,91 9.555,92 0.476,93 0.808,94 46.765,95 8.776,96 76.963,97 7.98,98 0.308,99 0.61,100 19.318,101 4.965,102 48.597,103 5.418,104 17,105 35,106 0.33,107 0.633,108 0.725,109 0.789,110 0.789,111 0.789,112 3.148,113 1.159,114 -4.09,115 -4.03,116 -3.82,118 1,119 39.5,121 2,125 2,140 6,142 3,145 2,161 1,162 1,163 1,169 3,171 2,172 6,176 2,178 4,180 2,182 8,186 2,189 2,191 2,193 8,199 7,202 4,203 2,211 4,215 4,217 2,218 2,222 6,226 8,231 2,233 2,235 2,244 4,251 2,252 2,254 1,256 4,258 1,259 626,260 14.427,261 14.427,262 14.427,263 14.427,264 14.427,265 12.74,266 18.802,267 8.354,268 15.086,269 11.836,270 11.836,271 11.836,272 11.836,273 11.836,274 9.212,275 22.697,276 3.973,277 13.01,278 3.404,279 1.711,280 1.198,281 0.842,282 0.842,283 0.842,284 3.819,287 1,288 1,289 1,290 400,291 3,294 59.377,295 146.289,302 1.318,303 30.395,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 47.25,315 187,316 4.976,317 5.351,318 7.67,319 4.385,320 3.521,321 4.871,322 2.95,323 13.637,324 3.01,325 4.166,326 3.253,327 6.191,328 3.798,329 2.881,330 3.744,331 0.8,332 9.235,333 2.639,334 3.849,335 3.004,336 5.607,337 3.417,338 2.452,339 3.392,341 6.989,342 2.363,343 3.569,344 2.738,345 5.082,346 3.18,347 2.29,348 2.792,350 6.185,351 2.021,352 3.186,353 2.42,354 4.915,355 2.703,356 1.801,357 2.438,359 5.311,360 1.623,361 2.921,362 1.826,363 4.379,364 2.614,365 1.667,366 2.01,368 4.287,369 1.463,370 2.765,371 1.293,372 4.139,373 2.195,374 1.222,375 1.814,377 3.484,378 1.153,379 2.5,380 1,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 1.921,389 0.94,390 3.275,391 1.758,392 0.804,393 0.88,395 1.962,396 0.763,397 1.618,398 0.744,399 3,400 1.591,401 0.618,402 0.618,404 1.372,405 0.6,406 1.12,407 0.519,408 2.97,409 0.723,410 -0.222,411 -0.279,413 -0.488,414 -0.203,415 1,416 0.18,417 2.585,418 0.396,419 -0.395,420 -0.501,422 -1.007,423 -0.211,424 0.949,425 -0.078,426 2.447,427 0.301,428 -0.635,429 -0.836,431 -1.937,432 -0.589,433 0.777,434 -0.5,435 2.114,437 -1,438 -1.279,440 -2.945,441 -0.839,442 0.5,443 -0.612,444 2,446 -1,447 -1.5,449 -3,450 -1,451 11.533,452 0.524,453 0.708,454 0.032,455 30,456 1.364,457 16,458 0.727,459 14,460 0.636,461 17.844,462 0.811,463 23.267,464 0.612,465 19.871,466 0.903,467 5.271,468 0.24,469 5.193,470 0.236,471 0.208,472 0.072,473 0.251,479 0.571,480 1.241,481 0.539,482 0.962,483 0.715,484 0.843,485 0.662,486 1.086,487 0.559,488 0.825,489 0.531,490 0.871,491 0.951,492 1.108,493 0.77,494 1.047,495 0.75,496 0.986,497 1.415,498 0.955,499 0.596,500 0.803,501 1.599,502 0.799,503 0.965,504 0.825,505 1.203,506 0.942,507 1.232,508 0.904,509 0.798,510 1.257,511 2.023,512 1.636,513 0.652,514 1.286,515 2.099,516 1.04,517 2.104,518 1.404,519 2.124,520 1.231,521 1.656,522 0.927,523 1.137,524 0.883,525 1.687,526 1.153,527 6,528 0.038,529 3.333,530 1.715,531 1.383,532 1.007,533 0.593,534 0.246,535 0.116,536 0.076,537 4553,538 13917,539 2.032,540 42.1,542 10,545 2,547 4,550 1.649,551 1.872,552 3.085,553 0.393,554 1,555 1,559 70.063,560 1.844,561 3.537,562 4.05,563 4.406,564 4.406,565 4.406,566 2.517,567 3.538,568 4.431,569 3.187,570 736.181,571 7.635,572 7848.67,573 1,574 1,576 1,577 199.421,578 1.661,579 4.366,580 0.25,581 0.009,582 0.095,583 0.05,584 0.043,585 0.032,586 0.022,587 0.012,588 0.009,589 0.008,590 0.532,591 0.5,592 1,593 0.65,594 99.395,595 0.049,596 -0.059,597 0.036,598 -0.012,599 -0.16,600 0.049,601 0.173,602 0.001,603 0.048,604 0.036,605 0.243,606 0.019,607 -0.084,608 -0.066,609 -0.03,610 -0.057,611 0.084,612 -0.024,613 -0.133,614 0.009,615 0.148,616 0.147,617 -0.165,618 0.146,619 0.263,620 0.147,621 0.067,622 0.067,623 0.036,624 0.046,625 0.073,626 -0.251,627 -0.213,628 -0.287,629 0.171,630 -0.212,631 -0.515,632 -0.125,633 -0.358,634 -0.225,635 -0.383,636 -0.244,637 -0.445,638 0.002,639 -0.182,640 -0.059,641 -0.395,642 -0.245,643 4.499,644 5.756,645 0.773,646 15.628,647 1.012,648 1.121,649 2.857,650 8.162,651 0.717,652 3.219,653 3.584,654 3.829,655 4.043,656 4.234,657 4.304,658 4.344,659 4.29,660 4.29,661 4.205,662 5.059,663 0.668,664 382.31,665 3.219,666 4.779,667 5.631,668 6.524,669 7.399,670 8.295,671 9.18,672 10.077,673 10.966,674 11.864,675 7.9,679 1,681 1,685 1,688 6,689 1,693 5,695 12,705 1,709 1,713 1,714 38,716 14,717 1,718 24,719 1,720 40,721 15,722 11,723 2,724 4,730 3,731 3,740 2,743 2,745 11,746 4,750 2,753 1,755 2,760 1,761 1,764 16,765 5,766 2,767 7,768 2,773 3,777 1,778 2,786 1,789 1,792 1,793 2,819 3,821 1,822 1,827 22,828 1,829 1,833 4,838 1,846 1,847 5.3,850 2,854 11.75,855 6.626,856 4.694,857 2.247,858 2.192,859 1.329,860 1.017,861 4.326,862 8.851,863 3.497,864 4.143,865 4.673,866 5.183,867 5.724,868 5.944,869 6.222,870 6.254,871 6.522,872 6.722,873 0.833,874 34,875 8.385,877 3.871,878 7.909,879 15.569,881 13.241,883 2.409,884 53,888 164.795,889 82.996,890 98.761,892 44.313,894 6.046,895 122.904,896 209.108,897 52.807,899 9.28,900 95.801,901 61.098,902 8.983,903 4.954,904 210.75,906 164.795,907 129.757,908 44.313,909 6.046,910 45.954,911 117.711,912 91.397,915 9.28,916 103.691,917 22.831,918 45.954,919 164.795,920 97.12,921 128.95,923 6.046,924 164.795,925 20.093,926 59.982,927 45.954,928 93.996,929 164.795,930 97.12,931 128.95,933 0.597,934 0.344,935 0.174,936 0.095,937 18,938 8,939 0.075,940 3,942 1,943 3.323,944 176.127,946 17,947 88.107,950 1,951 15.629,952 6.09,953 3.256,955 97.12,956 9.394,957 4.395,961 2.215,963 32.897,964 390.866,965 32,968 -3.583,970 25.513,975 38.451,976 42.582,977 0.351,978 0.674,979 0.772,980 0.84,981 0.84,982 0.84,983 4.754,984 1,985 5.673,986 3.484,987 4.263,988 4.828,989 2.963,990 6.555,991 4.078,992 6.008,993 0.804,994 7.292,995 2.275,996 4.111,997 4.987,998 0.325,999 7.874,1000 3.687,1001 7.375,1002 0.618,1003 9.035,1004 1.962,1005 5.979,1006 7.177,1007 5.03,1008 10.947,1009 5.559,1010 8.79,1011 -0.222,1012 10.857,1013 1.372,1014 6.648,1015 8.16,1016 0.268,1017 13.135,1018 5.968,1019 10.245,1020 -0.395,1021 12.735,1022 -0.488,1023 8.068,1024 9.926,1025 7.185,1026 15.857,1027 7.353,1028 11.73,1029 -0.635,1030 14.652,1031 -1.007,1032 9.079,1033 11.252,1034 0.188,1035 18.333,1036 8.117,1037 13.239,1038 -1,1039 16.598,1040 -1.937,1041 10.362,1042 12.885,1043 9.348,1044 20.971,1045 9.316,1046 3.521,1047 -1,1048 18.567,1049 -2.945,1050 11.513,1051 14.356,1052 0.125,1053 23.538,1054 10.245,1055 2.881,1056 13.637,1057 20.551,1058 -3,1059 12.761,1060 15.948,1061 11.511,1062 26.156,1063 11.37,1064 2.452,1065 9.235,1066 22.548,1067 4.871,1068 13.968,1069 17.481,1070 0.082,1071 28.752,1072 12.379,1073 2.29,1074 6.989,1075 24.555,1076 3.744,1077 15.211,1078 19.061,1079 13.675,1080 31.365,1081 13.475,1082 1.801,1083 6.185,1084 26.569,1085 3.392,1086 16.443,1087 20.621,1088 0.054,1089 33.972,1090 14.524,1091 1.667,1092 5.311,1093 28.588,1094 2.792,1095 17.689,1096 22.2,1097 15.838,1098 36.584,1099 15.612,1100 1.222,1101 4.287,1102 30.611,1103 2.438,1104 18.933,1105 23.772,1106 0.035,1107 39.195,1108 16.681,1109 4473,1110 7986,1111 15.603,1112 27.256,1113 36.275,1114 37.946,1115 37.119,1116 36.867,1117 36.508,1118 48.119,1119 7.5,1120 109.476,1121 33.273,1122 5.873,1123 7.351,1124 7.266,1125 5.511,1126 5.521,1127 7.871,1128 5.9,1129 21.671,1130 5.01,1131 11.071,1132 1.511,1133 1.581,1134 1.547,1135 1.536,1136 1.521,1137 2.005,1138 0.313,1139 4.561,1140 1.386,1141 4.131,1142 4.11,1143 6.88,1144 4.149,1145 7.715,1146 4.053,1147 3.877,1148 3.927,1149 4.752,1150 3.764,1151 6.999,1152 3.763,1153 3.734,1154 3.772,1155 3.779,1156 3.628,1157 5.108,1158 3.606,1159 3.468,1160 3.454,1161 3.713,1162 3.39,1163 4.846,1164 3.318,1165 2.91,1166 3.005,1167 3.426,1168 2.862,1169 4.439,1170 2.804,1171 2.897,1172 2.979,1173 2.764,1174 2.735,1175 4.251,1176 2.715,1177 2.869,1178 2.963,1179 2.687,1180 2.671,1181 3.736,1182 2.645,1183 2.854,1184 2.925,1185 2.661,1186 2.64,1187 3.674,1188 2.635,1189 0.207,1190 0.223,1191 0.32,1192 0.183,1193 0.147,1194 4.976,1195 0.203,1196 5.351,1197 0.123,1198 7.67,1199 0.568,1200 4.385,1201 0.125,1202 3.521,1203 4.871,1204 2.95,1205 13.637,1206 3.01,1207 2.012,1208 2.032,1209 1.993,1210 2.062,1211 1.243,1212 2.1,1213 1.796,1214 1.765,1215 1.86,1216 1.918,1217 1.211,1218 1.916,1219 1.577,1220 1.507,1221 1.858,1222 1.751,1223 1.03,1224 1.793,1225 1.432,1226 1.407,1227 1.604,1228 1.636,1229 0.879,1230 1.658,1231 1.24,1232 1.22,1233 1.245,1234 1.422,1235 0.385,1236 1.445,1237 0.886,1238 0.821,1239 1.181,1240 1.145,1241 0.218,1242 1.157,1243 0.809,1244 0.753,1245 0.985,1246 1.062,1247 0.13,1248 1.107,1249 0.754,1250 0.687,1251 0.883,1252 0.909,1253 0.094,1254 0.958,1255 3.892,1257 5.242,1258 2.398,1259 6.783,1260 4.443,1261 8.412,1262 6.293,1263 10.089,1264 3.315,1269 5.621,1271 4.026,1276 2.104,1280 25.394,1281 70.063,1282 134.402,1283 153.911,1284 167.421,1285 167.421,1286 167.421,1287 43.387,1288 6.659,1289 76.29,1290 84.67,1291 17,1292 12.389,1293 3.907,1294 3.17,1295 34.295,1296 65,1297 72,1298 0.26,1299 166.331,1300 281.71,1301 397.608,1302 5753,1303 2.6,1304 15.742,1305 0.716,1306 0.649,1307 16.992,1308 14.27,1309 10.464,1310 0.436,1311 0.386,1312 7.097,1313 8.81,1314 6.784,1315 5.59,1316 11.83,1317 9.275,1318 10.092,1319 0.288,1320 0.229,1321 12.227,1322 8.013,1323 8.166,1324 0.181,1325 0.13,1326 9.952,1327 5.84,1328 6.415,1329 0.115,1330 0.078,1331 8.163,1332 4.38,1333 4.928,1334 0.072,1335 0.045,1336 6.89,1337 3.037,1338 0.394,1339 81.316,1340 0.253,1341 21.313,1342 0.758,1343 118,1344 351.588,1345 234.945,1346 400.516,1347 530.89,1348 366,1349 139,1350 336.965,1351 222.767,1352 390.954,1353 572.26,1354 366,1355 4} {0 CHEMBL233210,1 1.44,2 14.5,3 3.735,4 13.949,5 135.224,6 7.103,7 0.447,8 4.246,9 4.368,10 3.781,11 3.818,12 5.302,13 3.784,14 4.822,15 4.998,16 4.153,17 4.245,18 5.807,19 4.189,20 5.133,21 5.342,22 4.268,23 4.462,24 6.065,25 4.372,26 5.251,27 5.479,28 4.196,29 4.508,30 6.14,31 4.376,32 5.316,33 5.588,34 4.108,35 4.474,36 6.093,37 4.314,38 5.251,39 5.526,40 4.052,41 4.366,42 6.057,43 4.219,44 5.149,45 5.407,46 3.988,47 4.283,48 6.058,49 4.146,50 5.043,51 5.299,52 3.792,53 4.229,54 5.853,55 4.057,56 0.045,57 0.92,58 13.681,59 5.982,60 13.521,61 8.044,62 0.252,63 1.547,64 26.407,65 10.218,66 31.145,67 14.026,68 0.351,69 2.033,70 37.365,71 14.245,72 43.973,73 19.716,74 0.361,75 2.221,76 42.529,77 16.597,78 52.999,79 23.343,80 0.326,81 2.278,82 47.113,83 18.065,84 52.327,85 26.03,86 0.372,87 2.115,88 44.784,89 16.239,90 59.492,91 23.412,92 0.665,93 1.911,94 40.65,95 14.243,96 73.639,97 20.208,98 0.249,99 1.756,100 35.226,101 13.78,102 44.326,103 19.69,104 21,105 54,106 0.228,107 0.575,108 0.784,109 0.894,110 0.899,111 0.899,112 3.56,113 0.947,114 -4.18,115 -4.12,116 -3.89,119 43.8,120 1,121 2,125 5,127 2,140 9,141 6,142 1,156 2,161 1,162 1,163 1,169 16,172 9,173 1,174 1,176 1,178 20,180 1,181 1,182 10,186 2,189 16,191 2,192 1,193 10,197 2,199 10,201 2,203 11,208 2,211 5,213 2,215 8,222 4,225 3,226 7,228 1,229 1,231 1,233 7,235 1,237 3,244 7,248 1,249 5,251 1,252 1,256 6,259 2032,260 23.248,261 23.248,262 23.248,263 23.248,264 23.248,265 21.078,266 29.275,267 13.467,268 23.586,269 18.68,270 18.68,271 18.68,272 18.68,273 18.68,274 15.211,275 38.245,276 6.264,277 19.231,278 4.56,279 2.371,280 1.051,281 0.356,282 0.324,283 0.324,284 4.27,289 1,290 1086,291 3.391,295 468.45,299 313.068,302 2.206,303 27.103,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 72,315 493,316 4.559,317 4.058,318 6.702,319 4.13,320 3.155,321 4.48,322 2.035,323 10.887,324 3.085,325 4.385,326 3.522,327 6.53,328 4.064,329 3.078,330 4.006,331 1.151,332 10.292,333 3.037,334 3.995,335 3.372,336 6.076,337 3.776,338 2.826,339 3.372,340 0.98,341 8.785,342 2.679,343 3.932,344 3.31,345 5.902,346 3.635,347 2.636,348 3.265,349 0.8,350 8.136,351 2.621,352 3.807,353 3.019,354 5.747,355 3.455,356 2.488,357 2.906,358 0.8,359 7.792,360 2.406,361 3.507,362 2.631,363 5.209,364 3.098,365 2.128,366 2.686,368 6.37,369 2.058,370 3.19,371 2.475,372 5.158,373 2.979,374 2.005,375 2.305,377 6.044,378 1.945,379 3.097,380 2.201,381 4.614,382 2.589,383 1.602,384 2.27,386 4.587,387 1.58,388 2.911,389 1.98,390 4.246,391 2.537,392 1.57,393 1.976,395 3.907,396 1.515,397 2.882,398 1.793,399 4.154,400 2.448,401 1.487,402 1.842,404 3.736,405 1.422,406 2.766,407 1.684,408 4.016,409 2.394,410 1.414,411 1.591,413 3.433,414 1.382,415 2.615,416 1.604,417 3.783,418 2.179,419 1.182,420 1.467,422 2.831,423 1.163,424 2.471,425 1.47,426 3.453,427 2.001,428 1.031,429 1.273,431 2.405,432 0.993,433 2.246,434 1.18,435 3.371,436 1.845,437 0.859,438 1.162,440 2.021,441 0.846,442 2.186,443 0.914,444 3.189,445 1.577,446 0.611,447 0.874,449 1.449,450 0.587,451 16.267,452 0.478,453 0.815,454 0.024,455 42.75,456 1.257,457 21,458 0.618,459 21.75,460 0.64,461 32.736,462 0.963,463 35.933,464 0.561,465 32.53,466 0.957,467 8.15,468 0.24,469 8.379,470 0.246,471 0.1,473 0.357,479 0.799,480 1.227,481 0.825,482 1.054,483 0.598,484 0.956,485 1.082,486 1.021,487 0.936,488 0.932,489 0.453,490 0.915,491 1.126,492 0.974,493 1.037,494 0.976,495 0.651,496 0.991,497 0.889,498 1.125,499 1.119,500 1.166,501 0.745,502 1.171,503 0.692,504 1.028,505 0.937,506 1.047,507 0.557,508 1.027,509 0.93,510 1.001,511 0.933,512 0.98,513 0.713,514 0.961,515 1.133,516 0.869,517 1.055,518 0.905,519 0.861,520 0.965,521 0.756,522 1.145,523 1.125,524 1.201,525 0.759,526 1.209,527 6.5,528 0.207,529 4.444,530 2.188,531 2.107,532 1.243,533 0.873,534 0.556,535 0.278,536 0.285,537 18592,538 46143,539 2.127,540 46.9,542 21,545 2,547 5,548 2,550 1.756,551 2,552 3.764,553 0.118,559 92.187,560 1.44,561 3.629,562 4.949,563 5.644,564 5.676,565 5.676,566 3.19,567 4.852,568 5.059,569 3.96,570 2221.71,571 8.846,572 34702.8,574 1,577 384,578 1.379,579 5.023,580 0.171,581 0.007,582 0.082,583 0.037,584 0.041,585 0.026,586 0.02,587 0.014,588 0.008,589 0.01,590 0.416,591 0.33,592 0.88,593 0.753,594 184.347,595 -0.021,596 -0.071,597 0.058,598 -0.004,599 -0.005,600 0.031,601 -0.046,602 0.075,603 0.009,604 0.071,605 0.094,606 0.052,607 -0.115,608 0.067,609 -0.075,610 0.02,611 0.018,612 -0.015,613 -0.041,614 -0.131,615 -0.163,616 -0.163,617 -0.023,618 -0.176,619 0.026,620 -0.097,621 0.037,622 -0.049,623 0.026,624 -0.012,625 -0.008,626 -0.067,627 0.067,628 -0.003,629 -0.003,630 0.034,631 0.077,632 0.087,633 -0.037,634 0.06,635 0.017,636 0.005,637 -0.049,638 -0.194,639 -0.166,640 -0.197,641 -0.077,642 -0.198,643 2.047,644 4.534,645 0.765,646 37.516,647 0.993,648 1.122,649 2.947,650 8.684,651 0.669,652 3.664,653 4.007,654 4.317,655 4.585,656 4.868,657 4.97,658 5.124,659 5.204,660 5.328,661 5.366,662 8.234,663 0.631,664 454.62,665 3.664,666 5.22,667 6.089,668 6.976,669 7.86,670 8.751,671 9.639,672 10.532,673 11.422,674 12.316,675 6.3,678 1,681 1,682 1,684 1,687 2,688 9,693 5,695 17,697 1,701 1,709 1,714 64,716 19,717 3,718 38,720 68,721 28,722 16,723 7,724 9,725 1,730 5,731 7,736 1,740 3,743 4,744 1,745 17,746 10,750 1,755 1,759 1,764 30,765 6,766 2,767 6,773 4,777 0.6,778 2,793 5,797 2,815 1,818 1,819 3,823 1,827 34,828 1,833 7,835 1,837 2,838 2,840 1,843 1,845 1,847 3.1,850 1,851 1,854 17,855 11.683,856 7.444,857 4.046,858 3.632,859 1.422,860 1.001,861 6.454,862 12.232,863 3.922,864 4.489,865 5.095,866 5.657,867 6.24,868 6.555,869 6.947,870 7.172,871 7.479,872 7.445,873 0.9,874 59,875 12.594,877 5.421,878 7.662,879 24.583,881 21.004,883 2.162,884 73.5,888 329.591,889 154.147,890 70.205,892 36.145,895 154.147,896 365.736,897 70.205,898 8.825,899 50.981,900 85.286,901 57.451,902 57.953,904 329.591,906 329.591,907 224.352,908 36.145,911 247.193,912 107.543,913 11,915 93.99,916 130.362,919 329.591,920 106.35,921 154.147,924 329.591,925 43.434,926 100.36,927 16.602,928 100.101,929 329.591,930 106.35,931 154.147,933 0.585,934 0.353,935 0.189,936 0.107,937 27,938 12,939 0.074,940 5,941 2,942 1.154,943 4.507,944 324.489,945 0.154,946 26,947 172.974,951 22.714,952 9.66,953 4.648,954 2.309,955 106.35,956 18.037,961 4.876,963 32.897,964 590.088,965 49.5,970 11.534,974 -0.38,975 63.549,976 71.81,977 0.24,978 0.605,979 0.825,980 0.941,981 0.946,982 0.946,983 5.189,984 1.602,985 6.08,986 6.044,987 4.691,988 5.176,989 2.758,990 6.911,991 4.638,992 6.389,993 1.57,994 7.653,995 4.587,996 4.29,997 4.977,998 0.57,999 7.849,1000 4.217,1001 7.697,1002 1.487,1003 9.325,1004 3.907,1005 6.308,1006 7.359,1007 3.727,1008 10.946,1009 6.207,1010 9.036,1011 1.414,1012 11.054,1013 3.736,1014 6.723,1015 8.015,1016 0.479,1017 12.699,1018 6.602,1019 10.408,1020 1.182,1021 12.82,1022 3.433,1023 8.204,1024 9.876,1025 5.01,1026 15.311,1027 8.059,1028 11.803,1029 1.031,1030 14.611,1031 2.831,1032 8.994,1033 10.944,1034 0.346,1035 17.402,1036 8.83,1037 13.217,1038 0.859,1039 16.419,1040 2.405,1041 10.257,1042 12.588,1043 6.391,1044 19.848,1045 10.072,1046 3.155,1047 0.611,1048 18.24,1049 2.021,1050 11.224,1051 13.861,1052 0.237,1053 22.088,1054 11.02,1055 3.078,1056 10.887,1057 20.072,1058 1.449,1059 12.399,1060 15.411,1061 7.801,1062 24.476,1063 12.175,1064 2.826,1065 10.292,1066 21.911,1067 4.48,1068 13.448,1069 16.789,1070 0.158,1071 26.782,1072 13.206,1073 2.636,1074 8.785,1075 23.758,1076 4.006,1077 14.589,1078 18.298,1079 9.219,1080 29.152,1081 14.328,1082 2.488,1083 8.136,1084 25.609,1085 3.372,1086 15.678,1087 19.729,1088 0.104,1089 31.49,1090 15.399,1091 2.128,1092 7.792,1093 27.466,1094 3.265,1095 16.807,1096 21.223,1097 10.638,1098 33.856,1099 16.51,1100 2.005,1101 6.37,1102 29.327,1103 2.906,1104 17.915,1105 22.681,1106 0.068,1107 36.21,1108 17.6,1109 17316,1110 27392,1111 25.66,1112 42.83,1113 58.814,1114 60.983,1115 59.053,1116 57.046,1117 57.032,1118 72.236,1119 11.531,1120 166.756,1121 55.481,1122 5.559,1123 6.058,1124 6.252,1125 5.215,1126 5.155,1127 7.48,1128 4.069,1129 18.098,1130 5.085,1131 16.243,1132 1.548,1133 1.605,1134 1.554,1135 1.501,1136 1.501,1137 1.901,1138 0.303,1139 4.388,1140 1.46,1141 4.114,1142 4.141,1143 4.07,1144 4.062,1145 7.437,1146 4.061,1147 4.012,1148 4.034,1149 3.957,1150 3.944,1151 6.82,1152 3.944,1153 3.831,1154 3.894,1155 3.729,1156 3.664,1157 4.909,1158 3.671,1159 3.587,1160 3.626,1161 3.508,1162 3.456,1163 4.871,1164 3.459,1165 3.524,1166 3.563,1167 3.455,1168 3.389,1169 4.746,1170 3.397,1171 3.371,1172 3.444,1173 3.209,1174 3.218,1175 4.405,1176 3.203,1177 3.271,1178 3.361,1179 3.099,1180 3.106,1181 4.364,1182 3.084,1183 3.224,1184 3.289,1185 3.064,1186 3.006,1187 4.253,1188 3.014,1189 0.12,1190 0.107,1191 0.176,1192 0.109,1193 0.083,1194 4.559,1195 0.118,1196 4.058,1197 0.054,1198 6.702,1199 0.287,1200 4.13,1201 0.081,1202 3.155,1203 4.48,1204 2.035,1205 10.887,1206 3.085,1207 2.082,1208 2.063,1209 2.158,1210 2.152,1211 1.4,1212 2.156,1213 1.985,1214 1.965,1215 2.094,1216 2.084,1217 1.334,1218 2.087,1219 1.796,1220 1.732,1221 1.987,1222 1.983,1223 1.246,1224 1.989,1225 1.547,1226 1.509,1227 1.746,1228 1.74,1229 1.044,1230 1.735,1231 1.5,1232 1.462,1233 1.669,1234 1.641,1235 0.901,1236 1.649,1237 1.382,1238 1.314,1239 1.662,1240 1.579,1241 0.859,1242 1.613,1243 1.301,1244 1.217,1245 1.62,1246 1.515,1247 0.698,1248 1.558,1249 1.141,1250 1.086,1251 1.365,1252 1.436,1253 0.536,1254 1.426,1255 4.344,1257 5.68,1259 7.225,1261 8.863,1263 10.55,1265 2.292,1269 5.456,1271 6.321,1273 6.112,1275 0.478,1276 5.012,1278 9.219,1279 2.235,1280 40.364,1281 92.187,1282 232.231,1283 316.716,1284 361.245,1285 363.245,1286 363.245,1287 56.832,1288 8.6,1289 82.59,1290 82.59,1291 30,1292 12.843,1293 4.322,1294 3.644,1295 50.321,1296 171,1297 166,1298 0.143,1299 245.357,1300 431,1301 590.432,1302 79335,1304 23.656,1305 0.696,1306 0.575,1307 23.656,1308 19.536,1309 16.529,1310 0.435,1311 0.316,1312 11.868,1313 16.041,1314 11.583,1315 9.512,1316 16.529,1317 11.994,1318 14.926,1319 0.276,1320 0.173,1321 14.926,1322 9.332,1323 13.071,1324 0.177,1325 0.098,1326 13.071,1327 7.236,1328 10.909,1329 0.112,1330 0.055,1331 10.909,1332 5.371,1333 9.24,1334 0.072,1335 0.031,1336 9.24,1337 3.947,1338 0.231,1339 102.453,1340 0.197,1341 31.782,1342 0.377,1343 184,1344 463.719,1345 196.307,1346 456.008,1347 627.53,1348 428,1349 220,1350 459.717,1351 232.698,1352 469.997,1353 688.81,1354 444,1355 9.046} {0 CHEMBL233211,1 1.5,2 13.844,3 3.377,4 11.403,5 126.795,6 7.026,7 0.306,8 4.221,9 4.346,10 3.745,11 3.766,12 5.24,13 3.735,14 4.819,15 4.998,16 4.139,17 4.207,18 5.822,19 4.155,20 5.133,21 5.349,22 4.213,23 4.41,24 6.058,25 4.316,26 5.254,27 5.495,28 4.131,29 4.442,30 6.102,31 4.305,32 5.282,33 5.564,34 4.03,35 4.38,36 6.054,37 4.219,38 5.205,39 5.481,40 3.996,41 4.275,42 6.073,43 4.131,44 5.09,45 5.353,46 3.852,47 4.207,48 5.871,49 4.055,50 5.02,51 5.294,52 3.685,53 4.111,54 5.844,55 3.935,56 0.029,57 0.962,58 13.743,59 6.055,60 9.838,61 8.061,62 0.24,63 1.62,64 26.941,65 10.324,66 36.046,67 14.112,68 0.378,69 2.104,70 38.309,71 14.308,72 50.2,73 19.663,74 0.414,75 2.21,76 43.966,77 16.534,78 53.143,79 23.196,80 0.368,81 2.178,82 46.413,83 16.85,84 59.52,85 24.422,86 0.654,87 1.997,88 43.689,89 14.894,90 81.024,91 21.568,92 0.463,93 1.807,94 38.404,95 13.793,96 51.057,97 19.452,98 0.328,99 1.77,100 35.822,101 13.126,102 55.619,103 18.516,104 18,105 52,106 0.241,107 0.6,108 0.817,109 0.898,110 0.904,111 0.904,112 3.502,113 0.957,114 -4.53,115 -4.46,116 -4.2,119 41.9,120 1,121 2,122 1,125 5,127 2,134 2,135 2,140 6,141 2,142 2,156 1,161 1,162 1,163 1,169 13,172 8,173 1,174 1,176 1,178 16,180 1,181 1,182 8,186 2,189 12,191 2,192 1,193 8,197 2,199 7,201 2,203 6,208 1,211 4,213 1,214 1,215 6,217 1,218 1,222 4,225 1,226 6,231 1,233 7,235 1,237 2,244 5,248 1,249 4,251 1,252 1,256 6,259 1716,260 21.67,261 21.67,262 21.67,263 21.67,264 21.67,265 19.772,266 28.435,267 12.478,268 22.043,269 17.753,270 17.753,271 17.753,272 17.753,273 17.753,274 14.845,275 39.117,276 5.891,277 18.384,278 4.454,279 2.225,280 0.875,281 0.367,282 0.335,283 0.335,284 4.211,288 1,289 1,290 983,291 3.24,294 73.725,295 358.324,298 136.418,299 147.282,302 2.123,303 30.978,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 443,316 4.553,317 3.551,318 6.702,319 4.126,320 3.154,321 4.474,322 1.253,323 10.882,324 3.074,325 4.325,326 3.404,327 6.549,328 4.084,329 3.103,330 3.677,331 0.98,332 10.357,333 3.046,334 3.939,335 3.321,336 6.075,337 3.769,338 2.822,339 3.257,340 0.8,341 8.775,342 2.67,343 3.901,344 3.058,345 5.901,346 3.638,347 2.638,348 3.09,349 0.8,350 8.13,351 2.619,352 3.696,353 2.846,354 5.729,355 3.39,356 2.449,357 2.838,358 0.467,359 7.695,360 2.299,361 3.369,362 2.428,363 5.089,364 2.99,365 2.051,366 2.642,368 5.834,369 1.917,370 3.186,371 2.36,372 4.971,373 2.888,374 1.911,375 2.266,377 5.725,378 1.853,379 3.029,380 2.051,381 4.581,382 2.583,383 1.597,384 2.213,386 4.546,387 1.571,388 2.836,389 1.742,390 4.254,391 2.48,392 1.504,393 1.839,395 3.897,396 1.464,397 2.773,398 1.68,399 4.163,400 2.423,401 1.459,402 1.772,404 3.705,405 1.399,406 2.507,407 1.602,408 4.014,409 2.382,410 1.404,411 1.497,413 3.416,414 1.37,415 2.349,416 1.489,417 3.778,418 2.137,419 1.133,420 1.31,422 2.806,423 1.126,424 2.243,425 1.206,426 3.379,427 1.849,428 0.885,429 1.154,431 2.078,432 0.848,433 1.9,434 0.934,435 3.315,436 1.695,437 0.76,438 0.841,440 1.832,441 0.704,442 1.536,443 0.778,444 3.131,445 1.444,446 0.48,447 0.497,449 1.173,450 0.459,451 15.152,452 0.474,453 0.853,454 0.027,455 35.75,456 1.117,457 15,458 0.469,459 20.75,460 0.648,461 33.018,462 1.032,463 35.248,464 0.569,465 26.767,466 0.836,467 6.896,468 0.216,469 8.595,470 0.269,471 0.1,473 0.383,477 1,479 0.692,480 1.172,481 0.815,482 1.099,483 0.596,484 0.995,485 0.897,486 1.022,487 0.92,488 0.982,489 0.488,490 0.952,491 0.987,492 0.983,493 1.062,494 1.029,495 0.748,496 1.047,497 0.812,498 1.015,499 1.073,500 1.135,501 0.65,502 1.149,503 0.645,504 0.932,505 0.897,506 1.011,507 0.6,508 0.999,509 0.775,510 0.822,511 0.921,512 0.915,513 0.695,514 0.937,515 0.923,516 0.911,517 1.039,518 0.984,519 0.636,520 1.029,521 0.884,522 1.114,523 1.099,524 1.139,525 0.994,526 1.152,527 6.5,528 0.194,529 4.444,530 2.292,531 1.853,532 1.118,533 0.895,534 0.485,535 0.235,536 0.245,537 16079,538 40323,539 2.135,540 48.4,541 2,542 20,545 2,547 4,548 2,550 1.739,551 2,552 3.702,553 0.146,555 1,559 92.987,560 1.5,561 3.729,562 5.079,563 5.587,564 5.619,565 5.619,566 3.204,567 4.813,568 4.972,569 3.904,570 1936.59,571 8.665,572 28923.5,574 1,577 369.16,578 1.406,579 4.933,580 0.181,581 0.007,582 0.085,583 0.042,584 0.039,585 0.027,586 0.022,587 0.014,588 0.008,589 0.01,590 0.436,591 0.33,592 0.88,593 0.688,594 170.281,595 -0.024,596 -0.07,597 0.058,598 -0.004,599 -0.038,600 0.034,601 -0.039,602 0.01,603 0.011,604 0.04,605 0.094,606 0.037,607 -0.1,608 0.025,609 -0.11,610 -0.027,611 -0.009,612 -0.06,613 -0.035,614 -0.116,615 -0.128,616 -0.14,617 -0.016,618 -0.15,619 0.019,620 -0.088,621 0.056,622 -0.041,623 0.008,624 0.004,625 0.102,626 0.031,627 0.064,628 0.033,629 0.046,630 0.04,631 -0.053,632 -0.04,633 -0.067,634 -0.011,635 -0.028,636 -0.041,637 -0.053,638 -0.124,639 -0.127,640 -0.153,641 -0.087,642 -0.152,643 2.026,644 5.637,645 0.781,646 34.102,647 0.997,648 1.13,649 3.302,650 10.902,651 0.654,652 3.611,653 3.97,654 4.277,655 4.554,656 4.804,657 4.913,658 5.063,659 5.153,660 5.215,661 5.288,662 7.94,663 0.617,664 435.59,665 3.611,666 5.176,667 6.047,668 6.94,669 7.826,670 8.721,671 9.612,672 10.508,673 11.401,674 12.298,675 4.8,678 1,681 1,682 1,687 2,688 6,693 2,695 11,709 1,713 1,714 62,716 14,717 2,718 36,720 66,721 26,722 10,723 4,724 6,725 5,730 5,731 7,736 1,740 3,741 1,743 4,745 15,746 11,747 1,750 3,755 1,757 2,759 3,761 1,762 1,764 30,765 6,766 2,767 6,773 3,777 0.6,778 2,792 1,793 4,796 1,797 1,804 1,810 2,811 2,815 1,818 1,819 3,823 1,825 1,827 32,828 1,833 7,835 1,837 3,838 2,846 1,847 3.2,850 1,851 1,854 16,855 11.126,856 6.861,857 3.907,858 2.948,859 1.349,860 1.001,861 5.959,862 11.397,863 3.818,864 4.388,865 4.942,866 5.483,867 6.017,868 6.281,869 6.624,870 6.912,871 7.175,872 7.081,873 1,874 54,875 11.926,877 5.227,878 7.708,879 23.28,881 20.25,883 2.208,884 70.667,887 1,888 329.591,889 130.819,890 39.146,892 36.145,893 14.96,895 130.819,896 365.736,897 54.106,898 8.825,899 50.981,900 75.81,901 40.849,902 29.643,903 14.96,904 329.591,906 329.591,907 169.965,908 51.105,911 273.924,912 95.772,913 11,915 62.931,916 88.081,917 18.952,919 344.551,920 75.291,921 130.819,924 329.591,925 46.184,926 90.884,928 84.002,929 329.591,930 90.251,931 130.819,933 0.593,934 0.352,935 0.188,936 0.104,937 27,938 12,939 0.076,940 5,941 2,942 1.16,943 4.372,944 299.703,945 0.16,946 25,947 160,951 21.48,952 8.877,953 4.318,954 2.051,955 90.251,956 11.164,961 0.987,963 32.897,964 550.661,965 44.5,970 11.45,972 3.879,974 1.459,975 61.843,976 70.066,977 0.252,978 0.626,979 0.853,980 0.938,981 0.944,982 0.944,983 5.098,984 1.597,985 6.047,986 5.725,987 4.654,988 5.075,989 2.13,990 6.884,991 4.589,992 6.292,993 1.504,994 7.625,995 4.546,996 4.29,997 4.902,998 0.57,999 7.828,1000 4.19,1001 7.601,1002 1.459,1003 9.3,1004 3.897,1005 6.279,1006 7.214,1007 2.173,1008 10.927,1009 6.156,1010 8.941,1011 1.404,1012 11.033,1013 3.705,1014 6.723,1015 7.874,1016 0.479,1017 12.69,1018 6.569,1019 10.313,1020 1.133,1021 12.801,1022 3.416,1023 8.188,1024 9.7,1025 2.403,1026 15.304,1027 8.015,1028 11.707,1029 0.885,1030 14.594,1031 2.806,1032 8.999,1033 10.771,1034 0.346,1035 17.405,1036 8.799,1037 13.12,1038 0.76,1039 16.404,1040 2.078,1041 10.256,1042 12.399,1043 2.718,1044 19.852,1045 10.037,1046 3.154,1047 0.48,1048 18.228,1049 1.832,1050 11.237,1051 13.681,1052 0.237,1053 22.098,1054 10.994,1055 3.103,1056 10.882,1057 20.062,1058 1.173,1059 12.41,1060 15.225,1061 3.084,1062 24.488,1063 12.148,1064 2.822,1065 10.357,1066 21.904,1067 4.474,1068 13.469,1069 16.614,1070 0.158,1071 26.798,1072 13.184,1073 2.638,1074 8.775,1075 23.753,1076 3.677,1077 14.611,1078 18.124,1079 3.482,1080 29.17,1081 14.306,1082 2.449,1083 8.13,1084 25.608,1085 3.257,1086 15.706,1087 19.566,1088 0.104,1089 31.51,1090 15.379,1091 2.051,1092 7.695,1093 27.467,1094 3.09,1095 16.838,1096 21.064,1097 3.899,1098 33.877,1099 16.491,1100 1.911,1101 5.834,1102 29.33,1103 2.838,1104 17.951,1105 22.533,1106 0.068,1107 36.233,1108 17.583,1109 14876,1110 23676,1111 24.274,1112 40.523,1113 55.2,1114 56.177,1115 56.597,1116 54.753,1117 54.695,1118 66.736,1119 8.598,1120 161.698,1121 52.838,1122 5.553,1123 5.551,1124 6.221,1125 5.193,1126 5.154,1127 7.474,1128 2.505,1129 18.09,1130 5.074,1131 15.557,1132 1.533,1133 1.56,1134 1.572,1135 1.521,1136 1.519,1137 1.854,1138 0.239,1139 4.492,1140 1.468,1141 4.109,1142 4.137,1143 4.066,1144 4.051,1145 8.201,1146 4.051,1147 3.996,1148 4.023,1149 3.925,1150 3.905,1151 7.437,1152 3.905,1153 3.826,1154 3.889,1155 3.723,1156 3.657,1157 4.899,1158 3.664,1159 3.574,1160 3.615,1161 3.492,1162 3.414,1163 4.852,1164 3.422,1165 3.476,1166 3.518,1167 3.403,1168 3.36,1169 4.709,1170 3.361,1171 3.322,1172 3.391,1173 3.18,1174 3.133,1175 4.375,1176 3.135,1177 3.271,1178 3.359,1179 3.062,1180 3.106,1181 4.248,1182 3.084,1183 3.154,1184 3.227,1185 2.989,1186 2.96,1187 4.205,1188 2.95,1189 0.126,1190 0.099,1191 0.186,1192 0.115,1193 0.088,1194 4.553,1195 0.124,1196 3.551,1197 0.035,1198 6.702,1199 0.302,1200 4.126,1201 0.085,1202 3.154,1203 4.474,1204 1.253,1205 10.882,1206 3.074,1207 2.074,1208 2.054,1209 2.15,1210 2.15,1211 1.413,1212 2.152,1213 1.904,1214 1.875,1215 2.045,1216 2.018,1217 1.349,1218 2.028,1219 1.795,1220 1.732,1221 1.983,1222 1.972,1223 1.244,1224 1.979,1225 1.546,1226 1.498,1227 1.774,1228 1.749,1229 1.063,1230 1.755,1231 1.454,1232 1.414,1233 1.653,1234 1.596,1235 0.9,1236 1.61,1237 1.302,1238 1.242,1239 1.608,1240 1.559,1241 0.737,1242 1.558,1243 1.281,1244 1.218,1245 1.505,1246 1.516,1247 0.67,1248 1.531,1249 1.179,1250 1.112,1251 1.431,1252 1.436,1253 0.569,1254 1.452,1255 4.29,1257 5.638,1258 2.398,1259 7.182,1260 4.727,1261 8.814,1262 6.823,1263 10.493,1265 2.278,1267 13.637,1269 5.427,1271 6.304,1273 6.081,1275 0.986,1276 4.964,1280 38.252,1281 92.987,1282 231.212,1283 314.896,1284 346.405,1285 348.405,1286 348.405,1287 57.174,1288 8.449,1289 58.8,1290 58.8,1291 29,1292 12.823,1293 3.907,1294 3.248,1295 46.062,1296 155,1297 144,1298 0.145,1299 229.359,1300 410.29,1301 551.395,1302 65123,1303 1.6,1304 22.242,1305 0.695,1306 0.577,1307 21.372,1308 18.467,1309 15.491,1310 0.43,1311 0.319,1312 11.344,1313 14.935,1314 11.091,1315 9.077,1316 15.097,1317 11.487,1318 14.403,1319 0.277,1320 0.177,1321 13.77,1322 9.197,1323 12.405,1324 0.175,1325 0.102,1326 12.07,1327 7.232,1328 10.462,1329 0.111,1330 0.058,1331 10.202,1332 5.438,1333 8.63,1334 0.071,1335 0.032,1336 8.387,1337 3.896,1338 0.233,1339 96.737,1340 0.203,1341 30.27,1342 0.38,1343 176,1344 490.185,1345 191.444,1346 447.503,1347 607.36,1348 420,1349 211,1350 439.642,1351 226.274,1352 440.491,1353 649.74,1354 416,1355 7.854} {0 CHEMBL233212,1 1.5,2 13.844,3 3.377,4 11.403,5 126.795,6 7.026,7 0.306,8 4.221,9 4.346,10 3.745,11 3.766,12 5.24,13 3.735,14 4.819,15 4.998,16 4.139,17 4.207,18 5.822,19 4.155,20 5.133,21 5.349,22 4.213,23 4.41,24 6.058,25 4.316,26 5.254,27 5.495,28 4.131,29 4.442,30 6.102,31 4.305,32 5.282,33 5.564,34 4.03,35 4.38,36 6.054,37 4.219,38 5.205,39 5.481,40 3.996,41 4.275,42 6.073,43 4.131,44 5.09,45 5.353,46 3.852,47 4.207,48 5.871,49 4.055,50 5.02,51 5.294,52 3.685,53 4.111,54 5.844,55 3.935,56 0.029,57 0.962,58 13.743,59 6.055,60 9.838,61 8.061,62 0.24,63 1.62,64 26.941,65 10.324,66 36.046,67 14.112,68 0.378,69 2.104,70 38.309,71 14.308,72 50.2,73 19.663,74 0.414,75 2.21,76 43.966,77 16.534,78 53.143,79 23.196,80 0.368,81 2.178,82 46.413,83 16.85,84 59.52,85 24.422,86 0.654,87 1.997,88 43.689,89 14.894,90 81.024,91 21.568,92 0.463,93 1.807,94 38.404,95 13.793,96 51.057,97 19.452,98 0.328,99 1.77,100 35.822,101 13.126,102 55.619,103 18.516,104 18,105 52,106 0.241,107 0.6,108 0.817,109 0.898,110 0.904,111 0.904,112 3.502,113 0.957,114 -4.53,115 -4.46,116 -4.2,119 41.9,120 1,121 2,122 1,125 5,127 2,134 2,135 2,140 6,141 2,142 2,156 1,161 1,162 1,163 1,169 13,172 8,173 1,174 1,176 1,178 16,180 1,181 1,182 8,186 2,189 12,191 2,192 1,193 8,197 2,199 7,201 2,203 6,208 1,211 4,213 1,214 1,215 6,217 1,218 1,222 4,225 1,226 6,231 1,233 7,235 1,237 2,244 5,248 1,249 4,251 1,252 1,256 6,259 1716,260 21.67,261 21.67,262 21.67,263 21.67,264 21.67,265 19.772,266 28.435,267 12.478,268 22.043,269 17.753,270 17.753,271 17.753,272 17.753,273 17.753,274 14.845,275 39.117,276 5.891,277 18.384,278 4.454,279 2.225,280 0.875,281 0.367,282 0.335,283 0.335,284 4.211,288 1,289 1,290 983,291 3.24,294 73.725,295 358.324,298 136.418,299 147.282,302 2.123,303 30.978,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 443,316 4.553,317 3.551,318 6.702,319 4.126,320 3.154,321 4.474,322 1.253,323 10.882,324 3.074,325 4.325,326 3.404,327 6.549,328 4.084,329 3.103,330 3.677,331 0.98,332 10.357,333 3.046,334 3.939,335 3.321,336 6.075,337 3.769,338 2.822,339 3.257,340 0.8,341 8.775,342 2.67,343 3.901,344 3.058,345 5.901,346 3.638,347 2.638,348 3.09,349 0.8,350 8.13,351 2.619,352 3.696,353 2.846,354 5.729,355 3.39,356 2.449,357 2.838,358 0.467,359 7.695,360 2.299,361 3.369,362 2.428,363 5.089,364 2.99,365 2.051,366 2.642,368 5.834,369 1.917,370 3.186,371 2.36,372 4.971,373 2.888,374 1.911,375 2.266,377 5.725,378 1.853,379 3.029,380 2.051,381 4.581,382 2.583,383 1.597,384 2.213,386 4.546,387 1.571,388 2.836,389 1.742,390 4.254,391 2.48,392 1.504,393 1.839,395 3.897,396 1.464,397 2.773,398 1.68,399 4.163,400 2.423,401 1.459,402 1.772,404 3.705,405 1.399,406 2.507,407 1.602,408 4.014,409 2.382,410 1.404,411 1.497,413 3.416,414 1.37,415 2.349,416 1.489,417 3.778,418 2.137,419 1.133,420 1.31,422 2.806,423 1.126,424 2.243,425 1.206,426 3.379,427 1.849,428 0.885,429 1.154,431 2.078,432 0.848,433 1.9,434 0.934,435 3.315,436 1.695,437 0.76,438 0.841,440 1.832,441 0.704,442 1.536,443 0.778,444 3.131,445 1.444,446 0.48,447 0.497,449 1.173,450 0.459,451 15.152,452 0.474,453 0.853,454 0.027,455 35.75,456 1.117,457 15,458 0.469,459 20.75,460 0.648,461 33.018,462 1.032,463 35.248,464 0.569,465 26.767,466 0.836,467 6.896,468 0.216,469 8.595,470 0.269,471 0.1,473 0.383,477 1,479 0.692,480 1.172,481 0.815,482 1.099,483 0.596,484 0.995,485 0.897,486 1.022,487 0.92,488 0.982,489 0.488,490 0.952,491 0.987,492 0.983,493 1.062,494 1.029,495 0.748,496 1.047,497 0.812,498 1.015,499 1.073,500 1.135,501 0.65,502 1.149,503 0.645,504 0.932,505 0.897,506 1.011,507 0.6,508 0.999,509 0.775,510 0.822,511 0.921,512 0.915,513 0.695,514 0.937,515 0.923,516 0.911,517 1.039,518 0.984,519 0.636,520 1.029,521 0.884,522 1.114,523 1.099,524 1.139,525 0.994,526 1.152,527 6.5,528 0.194,529 4.444,530 2.292,531 1.853,532 1.118,533 0.895,534 0.485,535 0.235,536 0.245,537 16079,538 40323,539 2.135,540 48.4,541 2,542 20,545 2,547 4,548 2,550 1.739,551 2,552 3.702,553 0.146,555 1,559 92.987,560 1.5,561 3.729,562 5.079,563 5.587,564 5.619,565 5.619,566 3.204,567 4.813,568 4.972,569 3.904,570 1936.59,571 8.665,572 28923.5,574 1,577 369.16,578 1.406,579 4.933,580 0.181,581 0.007,582 0.085,583 0.042,584 0.039,585 0.027,586 0.022,587 0.014,588 0.008,589 0.01,590 0.436,591 0.33,592 0.88,593 0.688,594 170.281,595 -0.024,596 -0.07,597 0.058,598 -0.004,599 -0.038,600 0.034,601 -0.039,602 0.01,603 0.011,604 0.04,605 0.094,606 0.037,607 -0.1,608 0.025,609 -0.11,610 -0.027,611 -0.009,612 -0.06,613 -0.035,614 -0.116,615 -0.128,616 -0.14,617 -0.016,618 -0.15,619 0.019,620 -0.088,621 0.056,622 -0.041,623 0.008,624 0.004,625 0.102,626 0.031,627 0.064,628 0.033,629 0.046,630 0.04,631 -0.053,632 -0.04,633 -0.067,634 -0.011,635 -0.028,636 -0.041,637 -0.053,638 -0.124,639 -0.127,640 -0.153,641 -0.087,642 -0.152,643 2.026,644 5.637,645 0.781,646 34.102,647 0.997,648 1.13,649 3.302,650 10.902,651 0.654,652 3.611,653 3.97,654 4.277,655 4.554,656 4.804,657 4.913,658 5.063,659 5.153,660 5.215,661 5.288,662 7.94,663 0.617,664 435.59,665 3.611,666 5.176,667 6.047,668 6.94,669 7.826,670 8.721,671 9.612,672 10.508,673 11.401,674 12.298,675 4.8,678 1,681 1,682 1,687 2,688 6,693 2,695 11,709 1,713 1,714 62,716 14,717 2,718 36,720 66,721 26,722 10,723 4,724 6,725 5,730 5,731 7,736 1,740 3,741 1,743 4,745 15,746 11,747 1,750 3,755 1,757 2,759 3,761 1,762 1,764 30,765 6,766 2,767 6,773 3,777 0.6,778 2,792 1,793 4,796 1,797 1,804 1,810 2,811 2,815 1,818 1,819 3,823 1,825 1,827 32,828 1,833 7,835 1,837 3,838 2,846 1,847 3.2,850 1,851 1,854 16,855 11.126,856 6.861,857 3.907,858 2.948,859 1.349,860 1.001,861 5.959,862 11.397,863 3.818,864 4.388,865 4.942,866 5.483,867 6.017,868 6.281,869 6.624,870 6.912,871 7.175,872 7.081,873 1,874 54,875 11.926,877 5.227,878 7.708,879 23.28,881 20.25,883 2.208,884 70.667,887 1,888 329.591,889 130.819,890 39.146,892 36.145,893 14.96,895 130.819,896 365.736,897 54.106,898 8.825,899 50.981,900 75.81,901 40.849,902 29.643,903 14.96,904 329.591,906 329.591,907 169.965,908 51.105,911 273.924,912 95.772,913 11,915 62.931,916 88.081,917 18.952,919 344.551,920 75.291,921 130.819,924 329.591,925 46.184,926 90.884,928 84.002,929 329.591,930 90.251,931 130.819,933 0.593,934 0.352,935 0.188,936 0.104,937 27,938 12,939 0.076,940 5,941 2,942 1.16,943 4.372,944 299.703,945 0.16,946 25,947 160,951 21.48,952 8.877,953 4.318,954 2.051,955 90.251,956 11.164,961 0.987,963 32.897,964 550.661,965 44.5,970 11.45,972 3.879,974 1.459,975 61.843,976 70.066,977 0.252,978 0.626,979 0.853,980 0.938,981 0.944,982 0.944,983 5.098,984 1.597,985 6.047,986 5.725,987 4.654,988 5.075,989 2.13,990 6.884,991 4.589,992 6.292,993 1.504,994 7.625,995 4.546,996 4.29,997 4.902,998 0.57,999 7.828,1000 4.19,1001 7.601,1002 1.459,1003 9.3,1004 3.897,1005 6.279,1006 7.214,1007 2.173,1008 10.927,1009 6.156,1010 8.941,1011 1.404,1012 11.033,1013 3.705,1014 6.723,1015 7.874,1016 0.479,1017 12.69,1018 6.569,1019 10.313,1020 1.133,1021 12.801,1022 3.416,1023 8.188,1024 9.7,1025 2.403,1026 15.304,1027 8.015,1028 11.707,1029 0.885,1030 14.594,1031 2.806,1032 8.999,1033 10.771,1034 0.346,1035 17.405,1036 8.799,1037 13.12,1038 0.76,1039 16.404,1040 2.078,1041 10.256,1042 12.399,1043 2.718,1044 19.852,1045 10.037,1046 3.154,1047 0.48,1048 18.228,1049 1.832,1050 11.237,1051 13.681,1052 0.237,1053 22.098,1054 10.994,1055 3.103,1056 10.882,1057 20.062,1058 1.173,1059 12.41,1060 15.225,1061 3.084,1062 24.488,1063 12.148,1064 2.822,1065 10.357,1066 21.904,1067 4.474,1068 13.469,1069 16.614,1070 0.158,1071 26.798,1072 13.184,1073 2.638,1074 8.775,1075 23.753,1076 3.677,1077 14.611,1078 18.124,1079 3.482,1080 29.17,1081 14.306,1082 2.449,1083 8.13,1084 25.608,1085 3.257,1086 15.706,1087 19.566,1088 0.104,1089 31.51,1090 15.379,1091 2.051,1092 7.695,1093 27.467,1094 3.09,1095 16.838,1096 21.064,1097 3.899,1098 33.877,1099 16.491,1100 1.911,1101 5.834,1102 29.33,1103 2.838,1104 17.951,1105 22.533,1106 0.068,1107 36.233,1108 17.583,1109 14876,1110 23676,1111 24.274,1112 40.523,1113 55.2,1114 56.177,1115 56.597,1116 54.753,1117 54.695,1118 66.736,1119 8.598,1120 161.698,1121 52.838,1122 5.553,1123 5.551,1124 6.221,1125 5.193,1126 5.154,1127 7.474,1128 2.505,1129 18.09,1130 5.074,1131 15.557,1132 1.533,1133 1.56,1134 1.572,1135 1.521,1136 1.519,1137 1.854,1138 0.239,1139 4.492,1140 1.468,1141 4.109,1142 4.137,1143 4.066,1144 4.051,1145 8.201,1146 4.051,1147 3.996,1148 4.023,1149 3.925,1150 3.905,1151 7.437,1152 3.905,1153 3.826,1154 3.889,1155 3.723,1156 3.657,1157 4.899,1158 3.664,1159 3.574,1160 3.615,1161 3.492,1162 3.414,1163 4.852,1164 3.422,1165 3.476,1166 3.518,1167 3.403,1168 3.36,1169 4.709,1170 3.361,1171 3.322,1172 3.391,1173 3.18,1174 3.133,1175 4.375,1176 3.135,1177 3.271,1178 3.359,1179 3.062,1180 3.106,1181 4.248,1182 3.084,1183 3.154,1184 3.227,1185 2.989,1186 2.96,1187 4.205,1188 2.95,1189 0.126,1190 0.099,1191 0.186,1192 0.115,1193 0.088,1194 4.553,1195 0.124,1196 3.551,1197 0.035,1198 6.702,1199 0.302,1200 4.126,1201 0.085,1202 3.154,1203 4.474,1204 1.253,1205 10.882,1206 3.074,1207 2.074,1208 2.054,1209 2.15,1210 2.15,1211 1.413,1212 2.152,1213 1.904,1214 1.875,1215 2.045,1216 2.018,1217 1.349,1218 2.028,1219 1.795,1220 1.732,1221 1.983,1222 1.972,1223 1.244,1224 1.979,1225 1.546,1226 1.498,1227 1.774,1228 1.749,1229 1.063,1230 1.755,1231 1.454,1232 1.414,1233 1.653,1234 1.596,1235 0.9,1236 1.61,1237 1.302,1238 1.242,1239 1.608,1240 1.559,1241 0.737,1242 1.558,1243 1.281,1244 1.218,1245 1.505,1246 1.516,1247 0.67,1248 1.531,1249 1.179,1250 1.112,1251 1.431,1252 1.436,1253 0.569,1254 1.452,1255 4.29,1257 5.638,1258 2.398,1259 7.182,1260 4.727,1261 8.814,1262 6.823,1263 10.493,1265 2.278,1267 13.637,1269 5.427,1271 6.304,1273 6.081,1275 0.986,1276 4.964,1280 38.252,1281 92.987,1282 231.212,1283 314.896,1284 346.405,1285 348.405,1286 348.405,1287 57.174,1288 8.449,1289 58.8,1290 58.8,1291 29,1292 12.823,1293 3.907,1294 3.248,1295 46.062,1296 155,1297 144,1298 0.145,1299 229.359,1300 410.29,1301 551.395,1302 65123,1303 1.6,1304 22.242,1305 0.695,1306 0.577,1307 21.372,1308 18.467,1309 15.491,1310 0.43,1311 0.319,1312 11.344,1313 14.935,1314 11.091,1315 9.077,1316 15.097,1317 11.487,1318 14.403,1319 0.277,1320 0.177,1321 13.77,1322 9.197,1323 12.405,1324 0.175,1325 0.102,1326 12.07,1327 7.232,1328 10.462,1329 0.111,1330 0.058,1331 10.202,1332 5.438,1333 8.63,1334 0.071,1335 0.032,1336 8.387,1337 3.896,1338 0.233,1339 96.737,1340 0.203,1341 30.27,1342 0.38,1343 176,1344 490.185,1345 191.444,1346 447.503,1347 607.36,1348 420,1349 211,1350 439.642,1351 226.274,1352 440.491,1353 649.74,1354 416,1355 7.174} {0 CHEMBL234447,1 1.496,2 13.879,3 4.062,4 16.496,5 129.703,6 7.105,7 0.459,8 4.236,9 4.359,10 3.768,11 3.789,12 5.272,13 3.758,14 4.82,15 4.997,16 4.153,17 4.216,18 5.843,19 4.167,20 5.13,21 5.342,22 4.252,23 4.425,24 6.082,25 4.341,26 5.234,27 5.462,28 4.176,29 4.47,30 6.122,31 4.341,32 5.306,33 5.579,34 4.088,35 4.437,36 6.088,37 4.28,38 5.241,39 5.517,40 4.032,41 4.329,42 6.056,43 4.182,44 5.136,45 5.395,46 3.962,47 4.243,48 6.039,49 4.108,50 5.038,51 5.297,52 3.767,53 4.171,54 5.891,55 4.007,56 0.029,57 0.968,58 13.68,59 6.105,60 9.861,61 8.056,62 0.24,63 1.62,64 26.643,65 10.303,66 34.881,67 13.943,68 0.395,69 2.112,70 37.958,71 14.246,72 49.998,73 19.301,74 0.356,75 2.233,76 42.244,77 16.493,78 51.992,79 22.876,80 0.341,81 2.274,82 47.123,83 17.778,84 54.962,85 25.408,86 0.465,87 2.113,88 44.892,89 15.91,90 64.156,91 22.868,92 0.664,93 1.901,94 40.564,95 14.016,96 73.757,97 19.696,98 0.337,99 1.839,100 36.121,101 13.61,102 58.121,103 18.77,104 18,105 53,106 0.239,107 0.57,108 0.785,109 0.898,110 0.903,111 0.903,112 3.532,113 0.949,114 -4.92,115 -4.83,116 -4.53,119 42.9,120 1,121 2,125 5,127 2,140 9,141 5,142 2,156 1,161 1,162 1,163 1,169 14,172 8,173 1,174 1,176 1,178 18,180 1,181 1,182 8,186 2,189 14,191 2,192 1,193 8,197 2,199 9,201 2,203 8,208 2,211 4,213 2,215 7,222 4,225 2,226 6,228 1,229 1,231 1,233 7,235 1,237 2,244 6,248 1,249 5,251 1,252 1,256 6,259 1859,260 22.378,261 22.378,262 22.378,263 22.378,264 22.378,265 20.247,266 27.578,267 12.964,268 22.768,269 18.253,270 18.253,271 18.253,272 18.253,273 18.253,274 14.972,275 36.564,276 6.117,277 18.903,278 4.482,279 2.409,280 1.068,281 0.361,282 0.329,283 0.329,284 4.242,288 1,289 1,290 1013,291 3.24,295 450.846,299 301.161,302 2.086,303 31.15,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 71,315 458,316 4.553,317 3.522,318 6.702,319 4.126,320 3.153,321 4.474,322 1.151,323 10.882,324 3.074,325 4.385,326 3.372,327 6.53,328 4.064,329 3.078,330 4.006,331 0.98,332 10.292,333 3.037,334 3.944,335 3.318,336 6.075,337 3.769,338 2.822,339 3.266,340 0.8,341 8.775,342 2.67,343 3.913,344 3.056,345 5.902,346 3.634,347 2.635,348 3.256,349 0.8,350 8.135,351 2.616,352 3.696,353 2.845,354 5.729,355 3.39,356 2.449,357 2.84,359 7.695,360 2.299,361 3.369,362 2.484,363 5.16,364 3.014,365 2.061,366 2.643,368 6.055,369 1.967,370 3.189,371 2.404,372 4.971,373 2.952,374 1.995,375 2.289,377 5.747,378 1.884,379 3.029,380 1.98,381 4.582,382 2.587,383 1.601,384 2.245,386 4.549,387 1.575,388 2.884,389 1.793,390 4.246,391 2.536,392 1.57,393 1.976,395 3.907,396 1.512,397 2.775,398 1.687,399 4.154,400 2.444,401 1.483,402 1.84,404 3.735,405 1.418,406 2.615,407 1.604,408 4.014,409 2.382,410 1.404,411 1.591,413 3.416,414 1.37,415 2.471,416 1.489,417 3.783,418 2.179,419 1.182,420 1.466,422 2.831,423 1.163,424 2.257,425 1.18,426 3.453,427 2.001,428 1.031,429 1.199,431 2.405,432 0.993,433 2.19,434 0.926,435 3.368,436 1.819,437 0.834,438 1.121,440 2.003,441 0.819,442 1.703,443 0.779,444 3.188,445 1.564,446 0.597,447 0.651,449 1.44,450 0.574,451 15.652,452 0.474,453 0.853,454 0.026,455 39.25,456 1.189,457 18,458 0.545,459 21.25,460 0.644,461 32.629,462 0.989,463 35.948,464 0.571,465 30.13,466 0.913,467 7.639,468 0.231,469 8.352,470 0.253,471 0.097,473 0.371,477 1,479 0.693,480 1.152,481 0.807,482 1.078,483 0.6,484 0.978,485 0.91,486 1.008,487 0.91,488 0.96,489 0.495,490 0.932,491 1.05,492 0.943,493 1.042,494 0.967,495 0.777,496 0.991,497 0.763,498 1.05,499 1.086,500 1.175,501 0.646,502 1.185,503 0.622,504 0.955,505 0.915,506 1.05,507 0.532,508 1.036,509 0.76,510 0.882,511 0.91,512 0.97,513 0.655,514 0.966,515 0.969,516 0.857,517 1.034,518 0.917,519 0.812,520 0.976,521 0.974,522 1.133,523 1.159,524 1.171,525 1.033,526 1.194,527 6.5,528 0.194,529 4.444,530 2.188,531 2.067,532 1.181,533 0.852,534 0.528,535 0.278,536 0.255,537 17175,538 43562,539 2.131,540 47.6,542 21,545 2,547 5,548 2,550 1.748,551 2,552 3.707,553 0.132,559 94.225,560 1.496,561 3.568,562 4.909,563 5.616,564 5.648,565 5.648,566 3.184,567 4.681,568 5.017,569 3.908,570 2063.41,571 8.761,572 31417.2,574 1,577 376.569,578 1.393,579 4.979,580 0.176,581 0.007,582 0.084,583 0.038,584 0.041,585 0.026,586 0.02,587 0.014,588 0.009,589 0.01,590 0.425,591 0.33,592 0.88,593 0.675,594 176.976,595 -0.024,596 -0.067,597 0.056,598 -0.004,599 -0.043,600 0.033,601 -0.04,602 0.018,603 0.016,604 0.049,605 0.094,606 0.045,607 -0.114,608 0.066,609 -0.086,610 0.026,611 -0.018,612 -0.014,613 -0.028,614 -0.131,615 -0.152,616 -0.173,617 -0.007,618 -0.183,619 0.023,620 -0.106,621 0.036,622 -0.067,623 0.024,624 -0.024,625 0.035,626 -0.031,627 0.067,628 -0.01,629 0.007,630 0.025,631 0.029,632 0.021,633 -0.038,634 0.036,635 -0.007,636 -0.006,637 -0.085,638 -0.133,639 -0.184,640 -0.175,641 -0.111,642 -0.194,643 2.052,644 5.659,645 0.788,646 35.071,647 0.998,648 1.128,649 3.694,650 13.646,651 0.659,652 3.638,653 3.989,654 4.29,655 4.564,656 4.844,657 4.934,658 5.075,659 5.159,660 5.283,661 5.313,662 7.985,663 0.623,664 447.6,665 3.638,666 5.198,667 6.066,668 6.956,669 7.838,670 8.73,671 9.617,672 10.511,673 11.4,674 12.293,675 4.8,678 1,681 1,682 1,687 2,688 9,693 5,695 17,701 1,709 1,713 1,714 63,716 18,717 3,718 37,720 67,721 27,722 16,723 7,724 9,725 1,730 5,731 7,736 1,740 3,743 4,745 17,746 10,750 1,755 1,759 1,762 1,764 30,765 6,766 2,767 6,773 3,777 0.6,778 2,793 5,797 2,815 1,818 1,819 3,823 1,825 1,827 33,828 1,833 7,835 1,837 2,838 2,846 1,847 3.2,850 1,851 1,854 16.5,855 11.376,856 7.111,857 3.969,858 3.433,859 1.403,860 1.008,861 6.266,862 11.945,863 3.861,864 4.454,865 5.039,866 5.609,867 6.179,868 6.441,869 6.771,870 7.007,871 7.293,872 7.186,873 1,874 57,875 12.282,877 5.347,878 7.712,879 23.896,881 20.53,883 2.212,884 73,887 1,888 329.591,889 143.481,890 39.146,892 36.145,893 14.96,895 143.481,896 365.736,897 54.106,898 8.825,899 50.981,900 85.286,901 40.849,902 32.829,903 14.96,904 329.591,906 329.591,907 182.627,908 51.105,911 262.153,912 107.543,913 11,915 62.931,916 119.696,919 344.551,920 75.291,921 143.481,924 329.591,925 49.369,926 100.36,928 84.002,929 329.591,930 90.251,931 143.481,933 0.59,934 0.35,935 0.189,936 0.107,937 27,938 12,939 0.075,940 5,941 2,942 1.154,943 4.426,944 312.784,945 0.154,946 26,947 166.465,951 22.183,952 9.321,953 4.574,954 2.039,955 90.251,956 16.877,961 3.896,963 32.897,964 563.322,965 46.5,970 11.517,974 -0.385,975 62.843,976 71.066,977 0.25,978 0.597,979 0.821,980 0.94,981 0.945,982 0.945,983 5.125,984 1.601,985 6.061,986 5.747,987 4.673,988 5.142,989 2.013,990 6.893,991 4.609,992 6.321,993 1.57,994 7.635,995 4.549,996 4.29,997 4.977,998 0.57,999 7.828,1000 4.19,1001 7.63,1002 1.483,1003 9.307,1004 3.907,1005 6.29,1006 7.324,1007 1.984,1008 10.929,1009 6.17,1010 8.97,1011 1.404,1012 11.036,1013 3.735,1014 6.711,1015 7.993,1016 0.479,1017 12.681,1018 6.563,1019 10.344,1020 1.182,1021 12.803,1022 3.416,1023 8.187,1024 9.844,1025 2.074,1026 15.298,1027 8.021,1028 11.74,1029 1.031,1030 14.594,1031 2.831,1032 8.98,1033 10.917,1034 0.346,1035 17.39,1036 8.791,1037 13.156,1038 0.834,1039 16.403,1040 2.405,1041 10.242,1042 12.559,1043 2.218,1044 19.839,1045 10.035,1046 3.153,1047 0.597,1048 18.225,1049 2.003,1050 11.211,1051 13.836,1052 0.237,1053 22.079,1054 10.983,1055 3.078,1056 10.882,1057 20.057,1058 1.44,1059 12.385,1060 15.386,1061 2.397,1062 24.469,1063 12.139,1064 2.822,1065 10.292,1066 21.898,1067 4.474,1068 13.436,1069 16.765,1070 0.158,1071 26.776,1072 13.17,1073 2.635,1074 8.775,1075 23.746,1076 4.006,1077 14.577,1078 18.275,1079 2.602,1080 29.146,1081 14.293,1082 2.449,1083 8.135,1084 25.599,1085 3.266,1086 15.666,1087 19.706,1088 0.104,1089 31.484,1090 15.363,1091 2.061,1092 7.695,1093 27.456,1094 3.256,1095 16.796,1096 21.2,1097 2.826,1098 33.851,1099 16.474,1100 1.995,1101 6.055,1102 29.318,1103 2.84,1104 17.905,1105 22.658,1106 0.068,1107 36.204,1108 17.564,1109 15924,1110 25484,1111 24.967,1112 41.523,1113 56.241,1114 56.995,1115 57.764,1116 55.895,1117 55.791,1118 69.729,1119 7.461,1120 163.735,1121 53.943,1122 5.553,1123 5.522,1124 6.238,1125 5.21,1126 5.153,1127 7.474,1128 2.302,1129 18.09,1130 5.074,1131 15.833,1132 1.52,1133 1.54,1134 1.561,1135 1.511,1136 1.508,1137 1.885,1138 0.202,1139 4.425,1140 1.458,1141 4.11,1142 4.138,1143 4.067,1144 4.052,1145 8.201,1146 4.052,1147 4.012,1148 4.033,1149 3.957,1150 3.944,1151 7.437,1152 3.943,1153 3.829,1154 3.892,1155 3.726,1156 3.659,1157 4.908,1158 3.667,1159 3.582,1160 3.621,1161 3.496,1162 3.416,1163 4.852,1164 3.424,1165 3.481,1166 3.524,1167 3.405,1168 3.363,1169 4.746,1170 3.364,1171 3.368,1172 3.44,1173 3.206,1174 3.218,1175 4.401,1176 3.202,1177 3.271,1178 3.359,1179 3.099,1180 3.106,1181 4.355,1182 3.084,1183 3.224,1184 3.289,1185 3.063,1186 2.996,1187 4.206,1188 3.011,1189 0.123,1190 0.095,1191 0.181,1192 0.112,1193 0.085,1194 4.553,1195 0.121,1196 3.522,1197 0.031,1198 6.702,1199 0.294,1200 4.126,1201 0.083,1202 3.153,1203 4.474,1204 1.151,1205 10.882,1206 3.074,1207 2.074,1208 2.054,1209 2.151,1210 2.151,1211 1.399,1212 2.153,1213 1.985,1214 1.965,1215 2.093,1216 2.083,1217 1.332,1218 2.087,1219 1.793,1220 1.728,1221 1.985,1222 1.982,1223 1.24,1224 1.987,1225 1.533,1226 1.491,1227 1.745,1228 1.739,1229 1.044,1230 1.733,1231 1.459,1232 1.42,1233 1.662,1234 1.618,1235 0.9,1236 1.631,1237 1.381,1238 1.313,1239 1.651,1240 1.57,1241 0.859,1242 1.603,1243 1.3,1244 1.217,1245 1.604,1246 1.512,1247 0.671,1248 1.552,1249 1.14,1250 1.085,1251 1.365,1252 1.436,1253 0.536,1254 1.426,1255 4.317,1257 5.659,1259 7.206,1261 8.845,1263 10.532,1265 2.27,1267 13.659,1269 5.446,1271 6.199,1273 6.095,1275 0.448,1276 4.94,1280 39.252,1281 94.225,1282 224.799,1283 309.284,1284 353.814,1285 355.814,1286 355.814,1287 58.33,1288 8.512,1289 58.8,1290 58.8,1291 30,1292 12.82,1293 4.248,1294 3.392,1295 48.137,1296 161,1297 145,1298 0.145,1299 236.024,1300 414.05,1301 567.658,1302 71261,1303 1.6,1304 22.949,1305 0.695,1306 0.575,1307 22.079,1308 18.967,1309 15.991,1310 0.432,1311 0.316,1312 11.566,1313 15.429,1314 11.311,1315 9.262,1316 15.597,1317 11.709,1318 14.757,1319 0.278,1320 0.173,1321 14.123,1322 9.15,1323 12.647,1324 0.176,1325 0.098,1326 12.311,1327 7.069,1328 10.676,1329 0.112,1330 0.055,1331 10.416,1332 5.272,1333 9.05,1334 0.072,1335 0.031,1336 8.807,1337 3.868,1338 0.234,1339 99.737,1340 0.2,1341 30.97,1342 0.384,1343 180,1344 506.185,1345 195.444,1346 464.187,1347 632.21,1348 436,1349 215,1350 459.642,1351 229.942,1352 460.601,1353 679.32,1354 436,1355 7.252} {0 CHEMBL234448,1 1.496,2 13.879,3 4.062,4 16.496,5 129.703,6 7.105,7 0.459,8 4.236,9 4.359,10 3.768,11 3.789,12 5.272,13 3.758,14 4.82,15 4.997,16 4.153,17 4.216,18 5.843,19 4.167,20 5.13,21 5.342,22 4.252,23 4.425,24 6.082,25 4.341,26 5.234,27 5.462,28 4.176,29 4.47,30 6.122,31 4.341,32 5.306,33 5.579,34 4.088,35 4.437,36 6.088,37 4.28,38 5.241,39 5.517,40 4.032,41 4.329,42 6.056,43 4.182,44 5.136,45 5.395,46 3.962,47 4.243,48 6.039,49 4.108,50 5.038,51 5.297,52 3.767,53 4.171,54 5.891,55 4.007,56 0.029,57 0.968,58 13.68,59 6.105,60 9.861,61 8.056,62 0.24,63 1.62,64 26.643,65 10.303,66 34.881,67 13.943,68 0.395,69 2.112,70 37.958,71 14.246,72 49.998,73 19.301,74 0.356,75 2.233,76 42.244,77 16.493,78 51.992,79 22.876,80 0.341,81 2.274,82 47.123,83 17.778,84 54.962,85 25.408,86 0.465,87 2.113,88 44.892,89 15.91,90 64.156,91 22.868,92 0.664,93 1.901,94 40.564,95 14.016,96 73.757,97 19.696,98 0.337,99 1.839,100 36.121,101 13.61,102 58.121,103 18.77,104 18,105 53,106 0.239,107 0.57,108 0.785,109 0.898,110 0.903,111 0.903,112 3.532,113 0.949,114 -4.92,115 -4.83,116 -4.53,119 42.9,120 1,121 2,125 5,127 2,140 9,141 5,142 2,156 1,161 1,162 1,163 1,169 14,172 8,173 1,174 1,176 1,178 18,180 1,181 1,182 8,186 2,189 14,191 2,192 1,193 8,197 2,199 9,201 2,203 8,208 2,211 4,213 2,215 7,222 4,225 2,226 6,228 1,229 1,231 1,233 7,235 1,237 2,244 6,248 1,249 5,251 1,252 1,256 6,259 1859,260 22.378,261 22.378,262 22.378,263 22.378,264 22.378,265 20.247,266 27.578,267 12.964,268 22.768,269 18.253,270 18.253,271 18.253,272 18.253,273 18.253,274 14.972,275 36.564,276 6.117,277 18.903,278 4.482,279 2.409,280 1.068,281 0.361,282 0.329,283 0.329,284 4.242,288 1,289 1,290 1013,291 3.24,295 450.846,299 301.161,302 2.086,303 31.15,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 71,315 458,316 4.553,317 3.522,318 6.702,319 4.126,320 3.153,321 4.474,322 1.151,323 10.882,324 3.074,325 4.385,326 3.372,327 6.53,328 4.064,329 3.078,330 4.006,331 0.98,332 10.292,333 3.037,334 3.944,335 3.318,336 6.075,337 3.769,338 2.822,339 3.266,340 0.8,341 8.775,342 2.67,343 3.913,344 3.056,345 5.902,346 3.634,347 2.635,348 3.256,349 0.8,350 8.135,351 2.616,352 3.696,353 2.845,354 5.729,355 3.39,356 2.449,357 2.84,359 7.695,360 2.299,361 3.369,362 2.484,363 5.16,364 3.014,365 2.061,366 2.643,368 6.055,369 1.967,370 3.189,371 2.404,372 4.971,373 2.952,374 1.995,375 2.289,377 5.747,378 1.884,379 3.029,380 1.98,381 4.582,382 2.587,383 1.601,384 2.245,386 4.549,387 1.575,388 2.884,389 1.793,390 4.246,391 2.536,392 1.57,393 1.976,395 3.907,396 1.512,397 2.775,398 1.687,399 4.154,400 2.444,401 1.483,402 1.84,404 3.735,405 1.418,406 2.615,407 1.604,408 4.014,409 2.382,410 1.404,411 1.591,413 3.416,414 1.37,415 2.471,416 1.489,417 3.783,418 2.179,419 1.182,420 1.466,422 2.831,423 1.163,424 2.257,425 1.18,426 3.453,427 2.001,428 1.031,429 1.199,431 2.405,432 0.993,433 2.19,434 0.926,435 3.368,436 1.819,437 0.834,438 1.121,440 2.003,441 0.819,442 1.703,443 0.779,444 3.188,445 1.564,446 0.597,447 0.651,449 1.44,450 0.574,451 15.652,452 0.474,453 0.853,454 0.026,455 39.25,456 1.189,457 18,458 0.545,459 21.25,460 0.644,461 32.629,462 0.989,463 35.948,464 0.571,465 30.13,466 0.913,467 7.639,468 0.231,469 8.352,470 0.253,471 0.097,473 0.371,477 1,479 0.693,480 1.152,481 0.807,482 1.078,483 0.6,484 0.978,485 0.91,486 1.008,487 0.91,488 0.96,489 0.495,490 0.932,491 1.05,492 0.943,493 1.042,494 0.967,495 0.777,496 0.991,497 0.763,498 1.05,499 1.086,500 1.175,501 0.646,502 1.185,503 0.622,504 0.955,505 0.915,506 1.05,507 0.532,508 1.036,509 0.76,510 0.882,511 0.91,512 0.97,513 0.655,514 0.966,515 0.969,516 0.857,517 1.034,518 0.917,519 0.812,520 0.976,521 0.974,522 1.133,523 1.159,524 1.171,525 1.033,526 1.194,527 6.5,528 0.194,529 4.444,530 2.188,531 2.067,532 1.181,533 0.852,534 0.528,535 0.278,536 0.255,537 17175,538 43562,539 2.131,540 47.6,542 21,545 2,547 5,548 2,550 1.748,551 2,552 3.707,553 0.132,559 94.225,560 1.496,561 3.568,562 4.909,563 5.616,564 5.648,565 5.648,566 3.184,567 4.681,568 5.017,569 3.908,570 2063.41,571 8.761,572 31417.2,574 1,577 376.569,578 1.393,579 4.979,580 0.176,581 0.007,582 0.084,583 0.038,584 0.041,585 0.026,586 0.02,587 0.014,588 0.009,589 0.01,590 0.425,591 0.33,592 0.88,593 0.675,594 176.976,595 -0.024,596 -0.067,597 0.056,598 -0.004,599 -0.043,600 0.033,601 -0.04,602 0.018,603 0.016,604 0.049,605 0.094,606 0.045,607 -0.114,608 0.066,609 -0.086,610 0.026,611 -0.018,612 -0.014,613 -0.028,614 -0.131,615 -0.152,616 -0.173,617 -0.007,618 -0.183,619 0.023,620 -0.106,621 0.036,622 -0.067,623 0.024,624 -0.024,625 0.035,626 -0.031,627 0.067,628 -0.01,629 0.007,630 0.025,631 0.029,632 0.021,633 -0.038,634 0.036,635 -0.007,636 -0.006,637 -0.085,638 -0.133,639 -0.184,640 -0.175,641 -0.111,642 -0.194,643 2.052,644 5.659,645 0.788,646 35.071,647 0.998,648 1.128,649 3.694,650 13.646,651 0.659,652 3.638,653 3.989,654 4.29,655 4.564,656 4.844,657 4.934,658 5.075,659 5.159,660 5.283,661 5.313,662 7.985,663 0.623,664 447.6,665 3.638,666 5.198,667 6.066,668 6.956,669 7.838,670 8.73,671 9.617,672 10.511,673 11.4,674 12.293,675 4.8,678 1,681 1,682 1,687 2,688 9,693 5,695 17,701 1,709 1,713 1,714 63,716 18,717 3,718 37,720 67,721 27,722 16,723 7,724 9,725 1,730 5,731 7,736 1,740 3,743 4,745 17,746 10,750 1,755 1,759 1,762 1,764 30,765 6,766 2,767 6,773 3,777 0.6,778 2,793 5,797 2,815 1,818 1,819 3,823 1,825 1,827 33,828 1,833 7,835 1,837 2,838 2,846 1,847 3.2,850 1,851 1,854 16.5,855 11.376,856 7.111,857 3.969,858 3.433,859 1.403,860 1.008,861 6.266,862 11.945,863 3.861,864 4.454,865 5.039,866 5.609,867 6.179,868 6.441,869 6.771,870 7.007,871 7.293,872 7.186,873 1,874 57,875 12.282,877 5.347,878 7.712,879 23.896,881 20.53,883 2.212,884 73,887 1,888 329.591,889 143.481,890 39.146,892 36.145,893 14.96,895 143.481,896 365.736,897 54.106,898 8.825,899 50.981,900 85.286,901 40.849,902 32.829,903 14.96,904 329.591,906 329.591,907 182.627,908 51.105,911 262.153,912 107.543,913 11,915 62.931,916 119.696,919 344.551,920 75.291,921 143.481,924 329.591,925 49.369,926 100.36,928 84.002,929 329.591,930 90.251,931 143.481,933 0.59,934 0.35,935 0.189,936 0.107,937 27,938 12,939 0.075,940 5,941 2,942 1.154,943 4.426,944 312.784,945 0.154,946 26,947 166.465,951 22.183,952 9.321,953 4.574,954 2.039,955 90.251,956 16.877,961 3.896,963 32.897,964 563.322,965 46.5,970 11.517,974 -0.385,975 62.843,976 71.066,977 0.25,978 0.597,979 0.821,980 0.94,981 0.945,982 0.945,983 5.125,984 1.601,985 6.061,986 5.747,987 4.673,988 5.142,989 2.013,990 6.893,991 4.609,992 6.321,993 1.57,994 7.635,995 4.549,996 4.29,997 4.977,998 0.57,999 7.828,1000 4.19,1001 7.63,1002 1.483,1003 9.307,1004 3.907,1005 6.29,1006 7.324,1007 1.984,1008 10.929,1009 6.17,1010 8.97,1011 1.404,1012 11.036,1013 3.735,1014 6.711,1015 7.993,1016 0.479,1017 12.681,1018 6.563,1019 10.344,1020 1.182,1021 12.803,1022 3.416,1023 8.187,1024 9.844,1025 2.074,1026 15.298,1027 8.021,1028 11.74,1029 1.031,1030 14.594,1031 2.831,1032 8.98,1033 10.917,1034 0.346,1035 17.39,1036 8.791,1037 13.156,1038 0.834,1039 16.403,1040 2.405,1041 10.242,1042 12.559,1043 2.218,1044 19.839,1045 10.035,1046 3.153,1047 0.597,1048 18.225,1049 2.003,1050 11.211,1051 13.836,1052 0.237,1053 22.079,1054 10.983,1055 3.078,1056 10.882,1057 20.057,1058 1.44,1059 12.385,1060 15.386,1061 2.397,1062 24.469,1063 12.139,1064 2.822,1065 10.292,1066 21.898,1067 4.474,1068 13.436,1069 16.765,1070 0.158,1071 26.776,1072 13.17,1073 2.635,1074 8.775,1075 23.746,1076 4.006,1077 14.577,1078 18.275,1079 2.602,1080 29.146,1081 14.293,1082 2.449,1083 8.135,1084 25.599,1085 3.266,1086 15.666,1087 19.706,1088 0.104,1089 31.484,1090 15.363,1091 2.061,1092 7.695,1093 27.456,1094 3.256,1095 16.796,1096 21.2,1097 2.826,1098 33.851,1099 16.474,1100 1.995,1101 6.055,1102 29.318,1103 2.84,1104 17.905,1105 22.658,1106 0.068,1107 36.204,1108 17.564,1109 15924,1110 25484,1111 24.967,1112 41.523,1113 56.241,1114 56.995,1115 57.764,1116 55.895,1117 55.791,1118 69.729,1119 7.461,1120 163.735,1121 53.943,1122 5.553,1123 5.522,1124 6.238,1125 5.21,1126 5.153,1127 7.474,1128 2.302,1129 18.09,1130 5.074,1131 15.833,1132 1.52,1133 1.54,1134 1.561,1135 1.511,1136 1.508,1137 1.885,1138 0.202,1139 4.425,1140 1.458,1141 4.11,1142 4.138,1143 4.067,1144 4.052,1145 8.201,1146 4.052,1147 4.012,1148 4.033,1149 3.957,1150 3.944,1151 7.437,1152 3.943,1153 3.829,1154 3.892,1155 3.726,1156 3.659,1157 4.908,1158 3.667,1159 3.582,1160 3.621,1161 3.496,1162 3.416,1163 4.852,1164 3.424,1165 3.481,1166 3.524,1167 3.405,1168 3.363,1169 4.746,1170 3.364,1171 3.368,1172 3.44,1173 3.206,1174 3.218,1175 4.401,1176 3.202,1177 3.271,1178 3.359,1179 3.099,1180 3.106,1181 4.355,1182 3.084,1183 3.224,1184 3.289,1185 3.063,1186 2.996,1187 4.206,1188 3.011,1189 0.123,1190 0.095,1191 0.181,1192 0.112,1193 0.085,1194 4.553,1195 0.121,1196 3.522,1197 0.031,1198 6.702,1199 0.294,1200 4.126,1201 0.083,1202 3.153,1203 4.474,1204 1.151,1205 10.882,1206 3.074,1207 2.074,1208 2.054,1209 2.151,1210 2.151,1211 1.399,1212 2.153,1213 1.985,1214 1.965,1215 2.093,1216 2.083,1217 1.332,1218 2.087,1219 1.793,1220 1.728,1221 1.985,1222 1.982,1223 1.24,1224 1.987,1225 1.533,1226 1.491,1227 1.745,1228 1.739,1229 1.044,1230 1.733,1231 1.459,1232 1.42,1233 1.662,1234 1.618,1235 0.9,1236 1.631,1237 1.381,1238 1.313,1239 1.651,1240 1.57,1241 0.859,1242 1.603,1243 1.3,1244 1.217,1245 1.604,1246 1.512,1247 0.671,1248 1.552,1249 1.14,1250 1.085,1251 1.365,1252 1.436,1253 0.536,1254 1.426,1255 4.317,1257 5.659,1259 7.206,1261 8.845,1263 10.532,1265 2.27,1267 13.659,1269 5.446,1271 6.199,1273 6.095,1275 0.448,1276 4.94,1280 39.252,1281 94.225,1282 224.799,1283 309.284,1284 353.814,1285 355.814,1286 355.814,1287 58.33,1288 8.512,1289 58.8,1290 58.8,1291 30,1292 12.82,1293 4.248,1294 3.392,1295 48.137,1296 161,1297 145,1298 0.145,1299 236.024,1300 414.05,1301 567.658,1302 71261,1303 1.6,1304 22.949,1305 0.695,1306 0.575,1307 22.079,1308 18.967,1309 15.991,1310 0.432,1311 0.316,1312 11.566,1313 15.429,1314 11.311,1315 9.262,1316 15.597,1317 11.709,1318 14.757,1319 0.278,1320 0.173,1321 14.123,1322 9.15,1323 12.647,1324 0.176,1325 0.098,1326 12.311,1327 7.069,1328 10.676,1329 0.112,1330 0.055,1331 10.416,1332 5.272,1333 9.05,1334 0.072,1335 0.031,1336 8.807,1337 3.868,1338 0.234,1339 99.737,1340 0.2,1341 30.97,1342 0.384,1343 180,1344 506.185,1345 195.444,1346 464.187,1347 632.21,1348 436,1349 215,1350 459.642,1351 229.942,1352 460.601,1353 679.32,1354 436,1355 7.506} {0 CHEMBL234449,1 1.514,2 14.625,3 3.684,4 13.572,5 125.285,6 7.226,7 0.472,8 4.193,9 4.314,10 3.741,11 3.748,12 5.238,13 3.722,14 4.773,15 4.946,16 4.116,17 4.173,18 5.814,19 4.127,20 5.075,21 5.285,22 4.185,23 4.369,24 6.04,25 4.282,26 5.15,27 5.379,28 4.064,29 4.371,30 6.048,31 4.235,32 5.18,33 5.459,34 3.957,35 4.273,36 5.977,37 4.119,38 5.052,39 5.326,40 3.867,41 4.129,42 5.869,43 4.001,44 4.925,45 5.167,46 3.824,47 4.089,48 5.849,49 3.959,50 4.913,51 5.177,52 3.66,53 4.041,54 5.703,55 3.875,56 0.021,57 0.929,58 12.75,59 5.755,60 8.816,61 7.505,62 0.236,63 1.551,64 24.997,65 9.712,66 32.55,67 12.962,68 0.377,69 1.992,70 35.638,71 13.631,72 48.523,73 18.195,74 0.309,75 2.033,76 38.727,77 15.434,78 50.719,79 21.191,80 0.314,81 1.993,82 42.138,83 15.481,84 54.405,85 22.163,86 0.424,87 1.752,88 37.569,89 12.619,90 56.389,91 17.95,92 0.594,93 1.556,94 32.017,95 11.297,96 59.035,97 15.999,98 0.22,99 1.548,100 31.564,101 12.025,102 40.44,103 17.056,104 11,105 51,106 0.244,107 0.565,108 0.744,109 0.867,110 0.872,111 0.872,112 3.502,113 0.94,114 -4.72,115 -4.64,116 -4.36,119 43.3,121 2,125 6,127 1,140 9,141 5,142 2,156 1,161 1,162 1,163 1,169 14,172 7,173 1,174 1,176 1,178 19,180 1,181 1,182 6,186 2,189 15,191 2,192 1,193 7,197 2,199 6,201 2,203 10,208 2,211 2,213 2,215 5,225 2,226 5,228 1,229 1,231 1,233 2,235 1,237 4,244 2,248 1,249 5,251 1,252 1,256 4,259 1744,260 21.825,261 21.825,262 21.825,263 21.825,264 21.825,265 19.715,266 25.996,267 12.706,268 22.226,269 17.775,270 17.775,271 17.775,272 17.775,273 17.775,274 14.505,275 33.028,276 6.038,277 18.43,278 4.393,279 2.403,280 1.296,281 0.533,282 0.5,283 0.5,284 4.215,288 1,289 1,290 1040,291 3.162,295 452.416,299 301.849,302 2.234,303 30.036,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 468,316 4.453,317 3.522,318 6.529,319 4.063,320 3.077,321 4.377,322 1.151,323 10.291,324 3.037,325 4.384,326 3.368,327 6.3,328 3.995,329 3.017,330 4.006,331 0.98,332 9.616,333 2.96,334 3.948,335 3.186,336 6.014,337 3.686,338 2.738,339 3.319,340 0.8,341 8.639,342 2.635,343 3.929,344 2.998,345 5.903,346 3.636,347 2.64,348 3.265,349 0.8,350 8.139,351 2.573,352 3.542,353 2.746,354 5.343,355 3.33,356 2.397,357 2.815,359 6.934,360 2.235,361 3.408,362 2.523,363 5.135,364 3.042,365 2.105,366 2.501,368 6.007,369 1.963,370 3.164,371 2.458,372 4.961,373 2.95,374 1.985,375 2.427,377 5.815,378 1.897,379 3.118,380 1.979,381 4.449,382 2.618,383 1.618,384 2.253,386 4.421,387 1.618,388 2.882,389 1.792,390 4.311,391 2.533,392 1.57,393 1.971,395 4.046,396 1.505,397 2.689,398 1.618,399 4.185,400 2.405,401 1.449,402 1.711,404 3.809,405 1.38,406 2.586,407 1.617,408 3.783,409 2.179,410 1.182,411 1.559,413 2.832,414 1.163,415 2.221,416 1.175,417 3.447,418 1.987,419 1.018,420 1.179,422 2.393,423 0.979,424 2.187,425 1.146,426 3.414,427 1.967,428 1,429 1.055,431 2.275,432 0.965,433 2,434 0.79,435 3.278,436 1.716,437 0.723,438 1,440 1.725,441 0.716,442 1.665,443 0.76,444 3.155,445 1.533,446 0.568,447 0.613,449 1.366,450 0.545,451 15.152,452 0.474,453 0.78,454 0.024,455 38.75,456 1.211,457 18,458 0.563,459 20.75,460 0.648,461 29.247,462 0.914,463 34.648,464 0.577,465 29.06,466 0.908,467 7.644,468 0.239,469 7.92,470 0.247,471 0.067,473 0.35,477 1,479 0.693,480 1.14,481 0.789,482 1.062,483 0.589,484 0.959,485 0.926,486 0.982,487 0.93,488 0.951,489 0.497,490 0.934,491 1.034,492 0.924,493 1.06,494 0.984,495 0.787,496 1.014,497 0.732,498 1.066,499 1.082,500 1.216,501 0.67,502 1.218,503 0.648,504 0.961,505 0.871,506 1.022,507 0.549,508 0.994,509 0.984,510 0.862,511 0.962,512 0.885,513 0.787,514 0.907,515 0.745,516 0.789,517 1.065,518 0.988,519 0.684,520 1.066,521 0.638,522 1.051,523 1.01,524 1.163,525 0.628,526 1.159,527 6.5,528 0.149,529 4,530 1.5,531 1.916,532 1.063,533 0.567,534 0.34,535 0.307,536 0.218,537 16974,538 43801,539 2.154,540 46.7,542 22,545 2,547 2,548 2,550 1.737,551 2.043,552 3.794,553 0.146,555 1,559 90.841,560 1.514,561 3.504,562 4.611,563 5.374,564 5.407,565 5.407,566 3.243,567 4.625,568 4.972,569 3.984,570 1975.95,571 8.654,572 30253.1,574 1,577 354.413,578 1.317,579 4.943,580 0.181,581 0.006,582 0.078,583 0.028,584 0.044,585 0.027,586 0.016,587 0.01,588 0.011,589 0.009,590 0.409,591 0.33,592 0.88,593 0.633,594 171.772,595 -0.028,596 -0.068,597 0.055,598 -0.004,599 -0.038,600 0.033,601 -0.058,602 0.037,603 -0.016,604 0.048,605 0.09,606 0.031,607 -0.116,608 0.069,609 -0.113,610 0.011,611 -0.023,612 -0.036,613 -0.008,614 -0.172,615 -0.15,616 -0.209,617 -0.011,618 -0.209,619 0.038,620 -0.127,621 0.098,622 -0.048,623 0.045,624 0.019,625 -0.074,626 0.01,627 0.039,628 0.057,629 -0.048,630 0.068,631 0.117,632 0.051,633 -0.098,634 -0.031,635 0.016,636 -0.093,637 0.006,638 -0.212,639 -0.061,640 -0.177,641 -0.021,642 -0.144,643 2.049,644 5.43,645 0.813,646 35.563,647 0.999,648 1.128,649 3.494,650 12.21,651 0.663,652 3.611,653 3.951,654 4.234,655 4.489,656 4.779,657 4.852,658 4.99,659 5.075,660 5.215,661 5.226,662 8.357,663 0.629,664 433.57,665 3.611,666 5.165,667 6.023,668 6.903,669 7.775,670 8.656,671 9.534,672 10.416,673 11.295,674 12.177,675 5,678 1,681 1,682 1,687 2,688 9,693 5,695 17,701 1,709 1,713 1,714 60,716 18,717 3,718 36,720 64,721 26,722 16,723 7,724 9,725 1,730 5,731 7,740 2,743 3,745 17,746 9,750 1,755 1,759 1,761 1,762 1,764 28,765 6,766 2,767 6,773 3,777 0.6,778 2,793 5,797 2,815 1,818 1,819 3,825 1,827 32,828 1,833 8,835 1,837 1,838 2,846 1,847 3.3,850 1,851 1,854 15.667,855 10.543,856 6.889,857 3.745,858 3.41,859 1.402,860 1.021,861 6.03,862 11.886,863 3.839,864 4.431,865 5.004,866 5.565,867 6.154,868 6.416,869 6.761,870 7.006,871 7.292,872 7.134,873 0.9,874 53,875 11.901,877 5.182,878 7.724,879 23.139,881 19.837,883 2.224,884 71.167,887 1,888 306.049,889 136.761,890 39.146,892 36.145,893 14.96,895 136.761,896 342.193,897 54.106,899 53.087,900 85.286,901 40.849,902 32.829,903 14.96,904 306.049,906 306.049,907 175.907,908 51.105,911 273.924,912 72.229,913 11,915 56.211,916 119.696,919 321.009,920 75.291,921 136.761,924 306.049,925 51.475,926 91.535,928 84.002,929 306.049,930 90.251,931 136.761,933 0.588,934 0.343,935 0.181,936 0.105,937 26,938 11,939 0.078,940 5,941 2,942 1.154,943 4.465,944 293.009,945 0.154,946 26,947 156,951 21.234,952 9.088,953 4.625,954 2.002,955 90.251,956 16.913,961 3.931,963 32.897,964 533.061,965 45.5,970 11.473,974 -0.382,975 59.96,976 67.651,977 0.256,978 0.593,979 0.781,980 0.91,981 0.915,982 0.915,983 5.095,984 1.618,985 6.009,986 5.815,987 4.635,988 5.118,989 2.013,990 6.812,991 4.57,992 6.287,993 1.57,994 7.564,995 4.421,996 4.205,997 4.934,998 0.57,999 7.681,1000 4.105,1001 7.589,1002 1.449,1003 9.214,1004 4.046,1005 6.229,1006 7.296,1007 1.984,1008 10.753,1009 6.112,1010 8.923,1011 1.182,1012 10.92,1013 3.809,1014 6.594,1015 7.933,1016 0.479,1017 12.43,1018 6.455,1019 10.289,1020 1.018,1021 12.662,1022 2.832,1023 8.085,1024 9.793,1025 2.074,1026 15.006,1027 7.93,1028 11.677,1029 1,1030 14.427,1031 2.393,1032 8.825,1033 10.826,1034 0.346,1035 17.024,1036 8.655,1037 13.081,1038 0.723,1039 16.21,1040 2.275,1041 10.091,1042 12.47,1043 2.218,1044 19.423,1045 9.904,1046 3.077,1047 0.568,1048 18.005,1049 1.725,1050 11.014,1051 13.708,1052 0.237,1053 21.593,1054 10.817,1055 3.017,1056 10.291,1057 19.811,1058 1.366,1059 12.181,1060 15.251,1061 2.397,1062 23.927,1063 11.968,1064 2.738,1065 9.616,1066 21.624,1067 4.377,1068 13.195,1069 16.595,1070 0.158,1071 26.167,1072 12.972,1073 2.64,1074 8.639,1075 23.443,1076 4.006,1077 14.321,1078 18.092,1079 2.602,1080 28.478,1081 14.084,1082 2.397,1083 8.139,1084 25.268,1085 3.319,1086 15.38,1087 19.492,1088 0.104,1089 30.752,1090 15.131,1091 2.105,1092 6.934,1093 27.098,1094 3.265,1095 16.489,1096 20.967,1097 2.826,1098 33.058,1099 16.228,1100 1.985,1101 6.007,1102 28.931,1103 2.815,1104 17.571,1105 22.397,1106 0.068,1107 35.349,1108 17.298,1109 15624,1110 25221,1111 24.561,1112 39.762,1113 54.448,1114 55.348,1115 55.412,1116 54.284,1117 54.171,1118 68.104,1119 7.461,1120 156.612,1121 52.339,1122 5.453,1123 5.522,1124 6.066,1125 5.148,1126 5.077,1127 7.377,1128 2.302,1129 17.149,1130 5.037,1131 13.856,1132 1.512,1133 1.537,1134 1.539,1135 1.508,1136 1.505,1137 1.892,1138 0.207,1139 4.35,1140 1.454,1141 4.103,1142 4.129,1143 4.058,1144 4.047,1145 8.201,1146 4.046,1147 4.012,1148 4.033,1149 3.957,1150 3.943,1151 7.437,1152 3.943,1153 3.815,1154 3.882,1155 3.712,1156 3.635,1157 4.908,1158 3.645,1159 3.587,1160 3.627,1161 3.503,1162 3.426,1163 4.853,1164 3.434,1165 3.473,1166 3.521,1167 3.394,1168 3.331,1169 4.746,1170 3.337,1171 3.338,1172 3.405,1173 3.178,1174 3.198,1175 4.398,1176 3.181,1177 3.222,1178 3.287,1179 3.099,1180 2.987,1181 4.356,1182 3.005,1183 3.111,1184 3.206,1185 2.943,1186 2.95,1187 4.149,1188 2.944,1189 0.124,1190 0.098,1191 0.181,1192 0.113,1193 0.085,1194 4.453,1195 0.122,1196 3.522,1197 0.032,1198 6.529,1199 0.286,1200 4.063,1201 0.084,1202 3.077,1203 4.377,1204 1.151,1205 10.291,1206 3.037,1207 2.071,1208 2.051,1209 2.149,1210 2.144,1211 1.384,1212 2.147,1213 1.985,1214 1.965,1215 2.093,1216 2.083,1217 1.32,1218 2.087,1219 1.773,1220 1.706,1221 1.968,1222 1.975,1223 1.234,1224 1.978,1225 1.54,1226 1.498,1227 1.741,1228 1.741,1229 1.041,1230 1.735,1231 1.438,1232 1.396,1233 1.661,1234 1.626,1235 0.859,1236 1.636,1237 1.354,1238 1.289,1239 1.573,1240 1.52,1241 0.825,1242 1.543,1243 1.153,1244 1.079,1245 1.513,1246 1.435,1247 0.67,1248 1.429,1249 1.134,1250 1.064,1251 1.361,1252 1.376,1253 0.486,1254 1.424,1255 4.29,1257 5.624,1259 7.159,1261 8.782,1263 10.451,1267 13.43,1269 5.428,1271 7.359,1273 6.056,1275 0.069,1276 4.888,1280 37.725,1281 90.841,1282 210.258,1283 276.665,1284 322.413,1285 324.413,1286 324.413,1287 53.873,1288 8.476,1289 58.8,1290 58.8,1291 30,1292 12.712,1293 4.248,1294 3.392,1295 46.158,1296 164,1297 152,1298 0.136,1299 226.431,1300 396.75,1301 544.252,1302 69576,1303 1.7,1304 22.079,1305 0.69,1306 0.566,1307 21.209,1308 18.097,1309 15.564,1310 0.432,1311 0.313,1312 11.131,1313 14.995,1314 10.934,1315 8.92,1316 15.17,1317 11.275,1318 14.302,1319 0.28,1320 0.17,1321 13.668,1322 8.68,1323 12.199,1324 0.179,1325 0.098,1326 11.864,1327 6.696,1328 10.083,1329 0.115,1330 0.055,1331 9.832,1332 4.86,1333 8.716,1334 0.074,1335 0.031,1336 8.413,1337 3.62,1338 0.222,1339 97.21,1340 0.202,1341 30.549,1342 0.351,1343 174,1344 500.185,1345 189.111,1346 457.813,1347 621.13,1348 430,1349 206,1350 448.29,1351 220.443,1352 449.136,1353 660.46,1354 425,1355 8} {0 CHEMBL23575,1 1.961,2 7.632,3 2.366,4 5.597,5 81.106,6 11.04,7 0.6,8 3.548,9 3.641,10 3.611,11 3.21,12 4.705,13 3.141,14 4.024,15 4.148,16 3.99,17 3.565,18 5.472,19 3.492,20 4.224,21 4.36,22 4.03,23 3.704,24 5.574,25 3.596,26 4.314,27 4.471,28 4.229,29 3.634,30 5.676,31 3.525,32 4.176,33 4.332,34 4.136,35 3.509,36 5.639,37 3.408,38 3.974,39 4.13,40 3.622,41 3.358,42 5.357,43 3.205,44 3.948,45 4.161,46 3.37,47 3.099,48 5.19,49 2.965,50 3.482,51 3.712,52 2.846,53 2.747,54 4.506,55 2.567,56 0.108,57 0.48,58 3.584,59 3.081,60 17.741,61 2.884,62 0.276,63 0.718,64 7.478,65 4.852,66 42.352,67 5.093,68 0.248,69 0.86,70 18.522,71 7.174,72 22.334,73 6.73,74 0.46,75 0.84,76 26.945,77 7.593,78 69.736,79 6.588,80 0.528,81 0.699,82 27,83 6.837,84 64.054,85 6.572,86 0.292,87 0.611,88 28.343,89 6.471,90 45.11,91 6.184,92 0.408,93 0.536,94 20.682,95 4.925,96 64.456,97 4.619,98 0.144,99 0.382,100 13.711,101 3.024,102 12.656,103 3.371,104 27,105 29,106 0.368,107 0.661,108 0.747,109 0.829,110 0.829,111 0.829,112 3.011,113 1.15,114 -3.33,115 -3.31,116 -3.17,118 1,119 38.7,124 1,140 6,142 3,145 2,161 1,162 1,163 1,169 2,171 1,172 3,174 1,176 3,178 4,180 2,182 8,186 2,189 2,191 2,193 4,197 2,199 5,202 2,203 2,206 2,211 4,215 2,217 2,218 2,220 2,222 2,226 2,231 4,233 2,235 2,251 1,252 1,253 1,254 1,255 1,258 1,259 422,260 12.228,261 12.228,262 12.228,263 12.228,264 12.228,265 10.517,266 15.448,267 6.993,268 12.864,269 9.776,270 9.776,271 9.776,272 9.776,273 9.776,274 7.099,275 19.376,276 3.234,277 10.861,278 2.993,279 1.436,280 0.976,281 0.54,282 0.54,283 0.54,284 3.657,287 1,288 1,289 1,290 296,291 3.082,295 128.034,302 1.23,303 28.615,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 41.25,315 145,316 4.975,317 5.351,318 7.669,319 4.382,320 3.519,321 4.871,322 2.95,323 13.635,324 3.004,325 4.069,326 3.193,327 5.762,328 3.578,329 2.662,330 3.697,331 0.4,332 7.833,333 2.453,334 3.829,335 2.816,336 5.308,337 3.361,338 2.4,339 3.379,341 6.462,342 2.276,343 3.297,344 2.425,345 4.98,346 2.853,347 1.975,348 2.548,350 5.556,351 1.739,352 3.184,353 2.369,354 4.762,355 2.7,356 1.794,357 2.437,359 5.221,360 1.499,361 2.812,362 1.304,363 4.155,364 2.194,365 1.222,366 1.891,368 3.52,369 1.152,370 2.5,371 1,372 3.414,373 2,374 1,375 1.5,377 2.275,378 1,379 1.584,380 0.745,381 2.97,382 1.352,383 0.433,384 0.483,386 0.638,387 0.396,388 1.12,389 0.506,390 2.812,391 0.723,392 -0.222,393 -0.279,395 -0.488,396 -0.203,397 1,398 0.18,399 2.579,400 0.379,401 -0.399,402 -0.505,404 -1.003,405 -0.211,406 0.944,407 -0.078,408 2.189,409 0.262,410 -0.675,411 -0.898,413 -1.756,414 -0.622,415 0.727,416 -0.5,417 2,419 -1,420 -1.354,422 -3,423 -0.864,424 0.5,425 -0.649,426 2,428 -1,429 -1.5,431 -3,432 -1,433 0.061,434 -1,435 1.729,436 -0.324,437 -1.163,438 -1.544,440 -3.064,441 -1,442 -0.028,443 -1,444 1.649,445 -0.447,446 -1.25,447 -2,449 -3.086,450 -1.108,451 10.033,452 0.528,453 0.656,454 0.035,455 27.75,456 1.461,457 16,458 0.842,459 11.75,460 0.618,461 12.996,462 0.684,463 19.967,464 0.644,465 18.544,466 0.976,467 5.225,468 0.275,469 3.705,470 0.195,471 0.289,472 0.083,473 0.249,479 0.624,480 1.15,481 0.546,482 0.918,483 0.785,484 0.771,485 0.661,486 0.973,487 0.583,488 0.769,489 0.609,490 0.768,491 1.042,492 1.169,493 0.877,494 1.152,495 0.904,496 1.007,497 1.544,498 1.021,499 0.652,500 0.903,501 1.766,502 0.932,503 0.943,504 0.872,505 1.349,506 1.111,507 1.246,508 0.989,509 0.904,510 1.27,511 1.634,512 1.542,513 0.748,514 1.34,515 1.811,516 0.87,517 1.263,518 0.776,519 1.785,520 1.002,521 0.784,522 1.212,523 1.477,524 1.16,525 0.453,526 1.404,527 6,529 2.889,530 1.938,531 1.333,532 0.826,533 0.323,534 0.142,535 0.14,536 0.051,537 2740,538 10444,539 1.923,540 38.7,542 9,545 3,550 1.608,551 1.74,552 2.928,553 1.251,555 1,557 1,559 60.786,560 1.961,561 3.518,562 3.978,563 4.414,564 4.414,565 4.414,566 2.458,567 3.787,568 4.219,569 3.017,570 515.946,571 7.21,572 4945.93,573 1,574 1,576 1,577 153.58,578 1.763,579 4.128,580 0.3,582 0.1,583 0.065,584 0.051,585 0.034,586 0.018,587 0.012,588 0.02,589 0.013,590 0.612,591 0.5,592 1,593 0.954,594 80.932,596 0.036,597 0.024,598 0.018,599 -0.228,600 0.079,601 0.185,602 0.097,603 0.054,604 0.101,605 0.225,606 0.102,607 -0.152,608 -0.101,609 -0.083,610 -0.114,611 0.022,612 -0.073,613 -0.242,614 -0.068,615 0.108,616 0.064,617 -0.275,618 -0.004,619 0.292,620 0.028,621 -0.009,622 -0.061,623 0.06,624 -0.007,625 0.014,626 -0.308,627 -0.258,628 -0.376,629 0.17,630 -0.315,631 -0.492,632 -0.013,633 -0.126,634 0.107,635 -0.403,636 -0.05,637 -0.191,638 -0.242,639 -0.218,640 -0.286,641 -0.126,642 -0.433,643 4.493,644 5.448,645 0.632,646 12.033,647 1.022,648 1.121,649 2.098,650 4.402,651 0.733,652 3.045,653 3.401,654 3.611,655 3.784,656 4.007,657 3.97,658 3.892,659 3.638,660 3.611,661 3.434,662 4.543,663 0.688,664 342.24,665 3.045,666 4.595,667 5.434,668 6.323,669 7.189,670 8.081,671 8.958,672 9.851,673 10.733,674 11.627,675 9.7,679 1,680 1,685 1,688 6,689 1,693 5,695 12,705 1,707 1,713 1,714 31,716 14,717 1,718 20,719 1,720 32,721 12,722 11,723 2,724 4,730 2,731 2,745 11,746 1,750 2,753 1,755 2,760 1,761 1,764 12,765 5,766 3,767 7,768 2,773 3,777 1,778 2,786 1,793 2,819 2,821 1,822 1,823 1,827 19,828 1,829 1,834 1,846 1,847 6.5,850 2,854 10.917,855 5.676,856 4.167,857 1.559,858 2.188,859 1.359,860 0.998,861 4.016,862 8.281,863 3.367,864 4.043,865 4.575,866 5.08,867 5.627,868 5.777,869 5.985,870 5.873,871 6.157,872 6.353,873 1,874 30,875 7.208,877 3.28,878 8.105,879 12.936,881 10.475,883 2.605,884 49.5,888 105.94,889 82.112,890 113.648,892 44.313,894 6.046,895 122.02,896 150.253,897 67.693,898 8.396,900 95.801,901 79.109,902 5.858,903 4.954,904 151.894,906 105.94,907 143.76,908 44.313,909 6.046,910 45.954,911 105.94,912 44.313,916 108.963,917 40.842,918 45.954,919 105.94,920 112.006,921 128.066,923 6.046,924 105.94,925 10.812,926 65.254,927 63.965,928 93.996,929 105.94,930 112.006,931 128.066,933 0.594,934 0.343,935 0.168,936 0.1,937 14,938 7,939 0.094,940 3,942 1,943 2.959,944 137.331,946 12,947 74.711,950 1,951 14.156,952 5.39,953 3.014,955 112.006,956 9.031,957 4.095,961 1.813,963 50.908,964 346.013,965 28,968 -3.576,970 24.897,975 31.684,976 34.751,977 0.396,978 0.71,979 0.803,980 0.891,981 0.891,982 0.891,983 4.605,984 0.433,985 5.493,986 2.275,987 4.078,988 4.727,989 2.93,990 6.382,991 3.875,992 5.887,993 -0.222,994 7.124,995 0.638,996 4.007,997 4.945,999 7.766,1000 3.571,1001 7.269,1002 -0.399,1003 8.879,1004 -0.488,1005 5.814,1006 7.127,1007 5.027,1008 10.823,1009 5.363,1010 8.698,1011 -0.675,1012 10.714,1013 -1.003,1014 6.524,1015 8.127,1017 13.053,1018 5.807,1019 10.163,1020 -1,1021 12.604,1022 -1.756,1023 7.929,1024 9.897,1025 7.185,1026 15.786,1027 7.168,1028 11.657,1029 -1,1030 14.535,1031 -3,1032 8.965,1033 11.23,1035 18.285,1036 7.948,1037 13.174,1038 -1.163,1039 16.495,1040 -3,1041 10.251,1042 12.867,1043 9.348,1044 20.934,1045 9.142,1046 3.519,1047 -1.25,1048 18.477,1049 -3.064,1050 11.42,1051 14.341,1053 23.513,1054 10.082,1055 2.662,1056 13.635,1057 20.474,1058 -3.086,1059 12.675,1060 15.936,1061 11.511,1062 26.137,1063 11.21,1064 2.4,1065 7.833,1066 22.483,1067 4.871,1068 13.895,1069 17.471,1071 28.739,1072 12.228,1073 1.975,1074 6.462,1075 24.499,1076 3.697,1077 15.146,1078 19.053,1079 13.675,1080 31.355,1081 13.33,1082 1.794,1083 5.556,1084 26.522,1085 3.379,1086 16.387,1087 20.614,1089 33.964,1090 14.387,1091 1.222,1092 5.221,1093 28.549,1094 2.548,1095 17.64,1096 22.194,1097 15.838,1098 36.578,1099 15.482,1100 1,1101 3.52,1102 30.578,1103 2.437,1104 18.89,1105 23.767,1107 39.19,1108 16.558,1109 2864,1110 5716,1111 12.425,1112 22.733,1113 30.1,1114 31.699,1115 31.642,1116 30.281,1117 30.01,1118 41.609,1119 6.7,1120 90.279,1121 27.038,1122 5.733,1123 7.351,1124 7.203,1125 5.499,1126 5.519,1127 7.871,1128 5.9,1129 21.658,1130 5.004,1131 11.284,1132 1.505,1133 1.585,1134 1.582,1135 1.514,1136 1.501,1137 2.08,1138 0.335,1139 4.514,1140 1.352,1141 4.125,1142 4.099,1143 6.88,1144 4.147,1145 7.715,1146 4.049,1147 3.82,1148 3.86,1149 4.751,1150 3.739,1151 6.999,1152 3.734,1153 3.54,1154 3.546,1155 3.737,1156 3.432,1157 5.108,1158 3.365,1159 3.271,1160 3.342,1161 3.606,1162 3.082,1163 4.867,1164 3.055,1165 2.897,1166 2.998,1167 3.034,1168 2.752,1169 4.439,1170 2.715,1171 2.854,1172 2.925,1173 2.753,1174 2.735,1175 4.178,1176 2.697,1177 2.782,1178 2.84,1179 2.687,1180 2.602,1181 3.723,1182 2.595,1183 2.477,1184 2.548,1185 2.466,1186 2.276,1187 3.674,1188 2.257,1189 0.249,1190 0.268,1191 0.383,1192 0.219,1193 0.176,1194 4.975,1195 0.244,1196 5.351,1197 0.148,1198 7.669,1199 0.682,1200 4.382,1201 0.15,1202 3.519,1203 4.871,1204 2.95,1205 13.635,1206 3.004,1207 2.012,1208 2.032,1209 1.993,1210 2.062,1211 1.238,1212 2.1,1213 1.791,1214 1.761,1215 1.859,1216 1.915,1217 0.959,1218 1.915,1219 1.378,1220 1.37,1221 1.61,1222 1.614,1223 0.673,1224 1.644,1225 1.211,1226 1.149,1227 1.245,1228 1.419,1229 0.384,1230 1.446,1231 0.886,1232 0.821,1233 1.181,1234 1.147,1235 0.218,1236 1.158,1237 0.811,1238 0.755,1239 1.014,1240 1.062,1241 0.137,1242 1.107,1243 0.768,1244 0.691,1245 0.839,1246 0.943,1248 0.99,1249 0.384,1250 0.312,1251 0.688,1252 0.671,1254 0.691,1255 3.714,1257 5.056,1259 6.603,1261 8.238,1263 9.919,1264 3.195,1265 1.675,1269 5.556,1272 2.815,1280 21.34,1281 60.786,1282 109.051,1283 123.315,1284 136.825,1285 136.825,1286 136.825,1287 40.655,1288 6.094,1289 85.08,1290 93.46,1291 12,1292 12.156,1293 3.907,1294 3.17,1295 33.467,1296 50,1297 55,1298 0.337,1299 144.947,1300 242.17,1301 345.432,1302 2630,1303 3.2,1304 14.044,1305 0.739,1306 0.658,1307 15.294,1308 12.494,1309 8.93,1310 0.446,1311 0.383,1312 5.495,1313 7.29,1314 5.158,1315 4.311,1316 10.296,1317 7.669,1318 8.562,1319 0.295,1320 0.227,1321 10.697,1322 6.595,1323 6.738,1324 0.187,1325 0.13,1326 8.524,1327 4.68,1328 5.024,1329 0.117,1330 0.08,1331 6.81,1332 3.429,1333 4.145,1334 0.077,1335 0.048,1336 6.094,1337 2.593,1338 0.504,1339 72.092,1340 0.284,1341 18.613,1342 1.001,1343 98,1344 326.276,1345 213.918,1346 376.372,1347 492.31,1348 342,1349 114,1350 303.557,1351 196.102,1352 358.651,1353 520.22,1354 334,1355 5} {0 CHEMBL238519,1 1.667,2 15,3 4.952,4 24.521,5 128.597,6 7.935,7 0.447,8 4.22,9 4.327,10 3.843,11 3.769,12 5.287,13 3.753,14 4.802,15 4.965,16 4.238,17 4.183,18 5.852,19 4.149,20 5.094,21 5.289,22 4.331,23 4.35,24 6.167,25 4.283,26 5.15,27 5.379,28 4.258,29 4.319,30 6.171,31 4.217,32 5.106,33 5.357,34 4.137,35 4.241,36 6.114,37 4.125,38 5.009,39 5.243,40 4.041,41 4.153,42 5.991,43 4.039,44 4.932,45 5.161,46 3.898,47 4.073,48 5.889,49 3.956,50 4.859,51 5.094,52 3.896,53 4.053,54 5.708,55 3.938,56 0.064,57 0.925,58 11.573,59 5.829,60 7.827,61 7.185,62 0.33,63 1.533,64 24.689,65 9.983,66 28.669,67 12.626,68 0.765,69 1.975,70 37.852,71 13.378,72 68.164,73 17.164,74 0.793,75 2.048,76 42.047,77 15.338,78 81.314,79 19.91,80 0.695,81 1.881,82 41.218,83 14.613,84 93.698,85 19.346,86 0.648,87 1.751,88 39.984,89 13.152,90 78.09,91 16.54,92 0.766,93 1.583,94 39.072,95 11.567,96 74.844,97 14.884,98 0.44,99 1.419,100 30.384,101 11.086,102 40.88,103 14.86,104 17,105 54,106 0.268,107 0.616,108 0.812,109 0.867,110 0.867,111 0.867,112 3.56,113 0.947,114 -4.42,115 -4.35,116 -4.1,119 42.6,120 1,121 3,122 1,125 5,140 6,141 2,142 5,144 2,156 1,169 8,172 9,174 1,178 13,181 2,182 4,184 1,186 2,189 7,192 1,193 7,197 2,199 8,203 8,208 1,211 3,215 7,220 2,222 3,225 1,226 8,233 4,237 3,240 1,244 4,248 1,249 4,256 9,259 2028,260 22.98,261 22.98,262 22.98,263 22.98,264 22.98,265 20.684,266 27.027,267 13.399,268 23.604,269 18.77,270 18.77,271 18.77,272 18.77,273 18.77,274 15.221,275 27.895,276 6.418,277 19.837,278 4.264,279 2.102,280 0.882,281 0.537,282 0.537,283 0.537,284 4.269,285 1,289 1,290 1130,291 3.162,295 503.051,299 335.699,302 2.294,303 40.066,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.333,315 510,316 4.548,317 3.68,318 6.642,319 4.091,320 3.134,321 4.495,322 2.03,323 10.58,324 2.993,325 4.478,326 3.332,327 6.542,328 4.057,329 3.092,330 4.161,331 0.892,332 10.363,333 2.981,334 3.797,335 3.267,336 5.761,337 3.649,338 2.682,339 3.23,340 0.86,341 7.94,342 2.599,343 3.754,344 2.897,345 5.446,346 3.405,347 2.452,348 3.058,349 0.8,350 7.149,351 2.336,352 3.607,353 2.735,354 5.338,355 3.309,356 2.365,357 2.89,358 0.141,359 6.775,360 2.228,361 3.505,362 2.717,363 5.109,364 3.146,365 2.173,366 2.684,368 6.208,369 2.105,370 3.438,371 2.599,372 5.02,373 3.014,374 2.115,375 2.601,377 5.962,378 1.921,379 3.253,380 2.379,381 4.959,382 2.965,383 2.008,384 2.542,386 5.788,387 1.838,388 3.165,389 2.119,390 4.819,391 2.804,392 1.852,393 2.283,395 5.294,396 1.716,397 3,398 1.939,399 4.653,400 2.641,401 1.681,402 2.088,404 4.712,405 1.599,406 2.623,407 1.63,408 3.936,409 2.237,410 1.314,411 1.662,413 3.23,414 1.191,415 2.16,416 1.561,417 3.588,418 1.984,419 1,420 1.123,422 2.28,423 0.983,424 2.051,425 1.21,426 3.414,427 1.921,428 0.969,429 1.007,431 2.275,432 0.907,433 2,434 1.157,435 3.408,436 1.795,437 0.919,438 1,440 2.217,441 0.795,442 1.614,443 1.077,444 3.157,445 1.409,446 0.47,447 0.516,449 1.176,450 0.434,451 16.2,452 0.476,453 0.886,454 0.026,455 41.5,456 1.221,457 19,458 0.559,459 22.5,460 0.662,461 33.252,462 0.978,463 37.2,464 0.61,465 30.75,466 0.904,467 7.929,468 0.233,469 8.529,470 0.251,471 0.113,473 0.364,477 1,479 0.684,480 1.196,481 0.637,482 1.058,483 0.531,484 0.947,485 0.88,486 1.074,487 0.735,488 0.95,489 0.569,490 0.911,491 0.947,492 0.971,493 0.963,494 0.982,495 0.857,496 1.005,497 0.818,498 1.123,499 0.809,500 1.076,501 0.882,502 1.057,503 0.849,504 0.988,505 0.781,506 0.909,507 0.762,508 0.927,509 1.266,510 1.139,511 1.182,512 1.043,513 1.299,514 1.061,515 1.21,516 0.92,517 1.426,518 1.095,519 1.229,520 1.136,521 0.781,522 0.857,523 0.828,524 0.95,525 0.601,526 1.01,527 7.5,528 0.194,529 3.778,530 2.25,531 2.338,532 1.069,533 0.664,534 0.451,535 0.287,536 0.217,537 20364,538 58073,539 2.127,540 44.3,541 3,542 16,545 1,546 3,547 4,550 1.752,551 2,552 3.805,553 -0.363,559 101.672,560 1.667,561 3.829,562 5.049,563 5.394,564 5.394,565 5.394,566 3.204,567 4.712,568 5.064,569 4.043,570 2268.38,571 8.83,572 37173.5,577 361.775,578 1.379,579 5.023,580 0.197,581 0.008,582 0.07,583 0.04,584 0.049,585 0.025,586 0.017,587 0.013,588 0.008,589 0.007,590 0.435,591 0.17,592 0.75,593 0.513,594 186.855,595 -0.029,596 -0.122,597 0.038,598 -0.051,599 -0.012,600 0.006,601 -0.047,602 -0.067,603 0.043,604 0.016,605 0.044,606 0.035,607 0.017,608 0.028,609 -0.068,610 -0.021,611 0.021,612 -0.053,613 0.126,614 -0.076,615 0.071,616 -0.085,617 0.067,618 -0.054,619 0.047,620 -0.024,621 0.123,622 0.069,623 0.122,624 0.084,625 -0.161,626 -0.058,627 -0.107,628 -0.041,629 -0.144,630 -0.068,631 -0.143,632 0.088,633 -0.285,634 -0.11,635 -0.19,636 -0.162,637 -0.043,638 -0.017,639 0.013,640 0.006,641 -0.03,642 -0.014,643 2.042,644 6.913,645 0.765,646 38.353,647 1.01,648 1.128,649 3.19,650 10.176,651 0.673,652 3.664,653 4.007,654 4.277,655 4.554,656 4.828,657 4.86,658 4.905,659 5.056,660 5.112,661 5.106,662 8.889,663 0.644,664 484.01,665 3.664,666 5.22,667 6.075,668 6.959,669 7.829,670 8.715,671 9.59,672 10.476,673 11.354,674 12.241,675 4.9,678 1,682 1,685 1,687 2,688 6,689 1,693 7,695 17,712 2,713 2,714 61,716 18,717 2,718 38,720 65,721 26,722 15,723 8,724 4,730 5,731 7,732 1,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,762 1,764 27,765 7,766 1,767 8,768 1,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,824 1,825 1,827 34,833 8,834 1,835 2,837 1,838 1,846 2,847 4.9,850 1,852 2,854 17,855 11.269,856 7.306,857 3.839,858 3.459,859 1.407,860 0.998,861 6.913,862 11.961,863 3.882,864 4.489,865 5.045,866 5.629,867 6.206,868 6.458,869 6.685,870 7.035,871 7.234,872 7.013,873 0.9,874 56,875 12.681,877 5.55,878 7.783,879 24.304,881 20.572,883 2.283,884 77.611,888 306.049,889 130.017,890 37.921,891 39.149,892 47.145,893 14.96,895 130.017,896 392.342,897 52.881,898 8.825,899 41.116,900 56.857,901 46.635,902 61.649,903 14.96,904 306.049,905 39.149,906 306.049,907 167.938,908 62.105,909 39.149,911 273.924,912 94.229,915 57.967,916 93.186,917 55.934,919 321.009,920 85.065,921 169.166,924 306.049,925 64.335,926 68.807,927 18.011,928 118.039,929 306.049,930 100.025,931 169.166,933 0.588,934 0.341,935 0.187,936 0.11,937 27,938 12,939 0.092,940 6,941 2,942 1.154,943 4.622,944 314.866,945 0.154,946 26,947 166.219,951 23.344,952 10.068,953 5.324,954 1.797,955 100.025,956 11.21,957 4.542,961 3.127,963 18.011,964 575.24,965 47.5,970 11.559,974 -0.323,975 61.611,976 68.804,977 0.281,978 0.646,979 0.851,980 0.909,981 0.909,982 0.909,983 5.143,984 2.008,985 6.066,986 5.962,987 4.691,988 5.176,989 2.496,990 6.872,991 4.587,992 6.345,993 1.852,994 7.621,995 5.788,996 4.29,997 5.075,998 1.668,999 7.732,1000 4.131,1001 7.656,1002 1.681,1003 9.271,1004 5.294,1005 6.286,1006 7.38,1007 3.324,1008 10.831,1009 6.1,1010 8.998,1011 1.314,1012 10.976,1013 4.712,1014 6.661,1015 8.087,1016 3.213,1017 12.512,1018 6.426,1019 10.371,1020 1,1021 12.717,1022 3.23,1023 8.141,1024 9.915,1025 4.506,1026 15.141,1027 7.88,1028 11.767,1029 0.969,1030 14.485,1031 2.28,1032 8.895,1033 11.018,1034 4.752,1035 17.193,1036 8.588,1037 13.182,1038 0.919,1039 16.273,1040 2.275,1041 10.163,1042 12.652,1043 5.816,1044 19.652,1045 9.827,1046 3.134,1047 0.47,1048 18.078,1049 2.217,1050 11.109,1051 13.954,1052 6.248,1053 21.87,1054 10.728,1055 3.092,1056 10.58,1057 19.896,1058 1.176,1059 12.288,1060 15.503,1061 7.175,1062 24.264,1063 11.874,1064 2.682,1065 10.363,1066 21.726,1067 4.495,1068 13.329,1069 16.9,1070 7.714,1071 26.555,1072 12.871,1073 2.452,1074 7.94,1075 23.565,1076 4.161,1077 14.473,1078 18.413,1079 8.557,1080 28.923,1081 13.98,1082 2.365,1083 7.149,1084 25.413,1085 3.23,1086 15.561,1087 19.857,1088 9.16,1089 31.246,1090 15.024,1091 2.173,1092 6.775,1093 27.266,1094 3.058,1095 16.694,1096 21.354,1097 9.952,1098 33.603,1099 16.118,1100 2.115,1101 6.208,1102 29.126,1103 2.89,1104 17.804,1105 22.82,1106 10.594,1107 35.941,1108 17.185,1109 18743,1110 31850,1111 25.66,1112 41.074,1113 56.763,1114 59.183,1115 58.349,1116 56.809,1117 56.696,1118 70.954,1119 9.447,1120 164.495,1121 53.471,1122 5.548,1123 5.68,1124 6.181,1125 5.199,1126 5.134,1127 7.495,1128 3.634,1129 17.803,1130 4.993,1131 16.253,1132 1.494,1133 1.557,1134 1.535,1135 1.495,1136 1.492,1137 1.867,1138 0.249,1139 4.329,1140 1.407,1141 4.083,1142 4.106,1143 4.11,1144 4.009,1145 8.201,1146 4.014,1147 4.003,1148 4.031,1149 3.964,1150 3.906,1151 7.429,1152 3.913,1153 3.842,1154 3.896,1155 3.732,1156 3.691,1157 5.068,1158 3.692,1159 3.569,1160 3.611,1161 3.665,1162 3.448,1163 4.789,1164 3.442,1165 3.523,1166 3.56,1167 3.464,1168 3.336,1169 4.694,1170 3.355,1171 3.413,1172 3.463,1173 3.338,1174 3.231,1175 4.547,1176 3.238,1177 3.132,1178 3.206,1179 3.145,1180 2.983,1181 4.327,1182 2.976,1183 3.111,1184 3.186,1185 2.963,1186 2.941,1187 4.181,1188 2.91,1189 0.12,1190 0.097,1191 0.175,1192 0.108,1193 0.082,1194 4.548,1195 0.118,1196 3.68,1197 0.053,1198 6.642,1199 0.278,1200 4.091,1201 0.079,1202 3.134,1203 4.495,1204 2.03,1205 10.58,1206 2.993,1207 2.029,1208 2.011,1209 2.102,1210 2.118,1211 1.478,1212 2.114,1213 1.955,1214 1.928,1215 2.084,1216 2.083,1217 1.223,1218 2.086,1219 1.809,1220 1.759,1221 1.95,1222 1.989,1223 1.146,1224 1.98,1225 1.536,1226 1.497,1227 1.743,1228 1.731,1229 1.003,1230 1.735,1231 1.469,1232 1.422,1233 1.682,1234 1.655,1235 0.825,1236 1.664,1237 1.376,1238 1.329,1239 1.594,1240 1.582,1241 0.802,1242 1.597,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.775,1248 1.429,1249 1.113,1250 1.055,1251 1.391,1252 1.32,1253 0.629,1254 1.343,1255 4.344,1257 5.68,1259 7.212,1261 8.837,1263 10.513,1265 1.955,1266 6.259,1267 14.913,1271 5.822,1272 2.593,1273 11.38,1275 0.399,1276 2.378,1280 39.268,1281 101.672,1282 233.562,1283 308.001,1284 329.02,1285 329.02,1286 329.02,1287 67.974,1288 8.502,1289 63.69,1290 63.69,1291 30,1292 12.774,1293 4.248,1294 3.392,1295 50.52,1296 188,1297 150,1298 0.13,1299 238.76,1300 420.75,1301 574.336,1302 75766,1303 3.3,1304 23.656,1305 0.696,1306 0.583,1307 23.286,1308 19.829,1309 16.458,1310 0.433,1311 0.316,1312 11.482,1313 15.483,1314 11.206,1315 9.174,1316 16.319,1317 11.999,1318 15.271,1319 0.283,1320 0.175,1321 15.258,1322 9.446,1323 12.746,1324 0.18,1325 0.095,1326 12.359,1327 6.779,1328 10.766,1329 0.115,1330 0.052,1331 10.689,1332 4.917,1333 9.252,1334 0.075,1335 0.03,1336 9.137,1337 3.696,1338 0.213,1339 106.609,1340 0.197,1341 32.218,1342 0.331,1343 184,1344 589.144,1345 218.84,1346 563.729,1347 752.37,1348 528,1349 217,1350 521.925,1351 247.169,1352 528.468,1353 778.73,1354 498,1355 6.2} {0 CHEMBL238520,1 1.634,2 15,3 4.493,4 20.187,5 124.008,6 7.665,7 0.447,8 4.223,9 4.332,10 3.813,11 3.748,12 5.319,13 3.743,14 4.805,15 4.97,16 4.197,17 4.154,18 5.903,19 4.135,20 5.097,21 5.298,22 4.269,23 4.317,24 6.191,25 4.265,26 5.148,27 5.382,28 4.163,29 4.295,30 6.197,31 4.193,32 5.106,33 5.36,34 4.062,35 4.201,36 6.07,37 4.102,38 5.023,39 5.261,40 3.99,41 4.089,42 6.108,43 4.017,44 4.946,45 5.182,46 3.892,47 4.026,48 6.089,49 3.941,50 4.862,51 5.099,52 3.839,53 4.02,54 5.746,55 3.92,56 0.085,57 1.009,58 11.923,59 5.938,60 10.915,61 7.203,62 0.371,63 1.655,64 24.682,65 9.923,66 35.199,67 12.511,68 0.812,69 2.097,70 36.177,71 13.078,72 81.865,73 16.602,74 0.902,75 2.083,76 39.975,77 14.954,78 96.577,79 19.972,80 0.671,81 1.997,82 39.513,83 14.064,84 75.75,85 18.965,86 0.784,87 2.02,88 36.768,89 12.507,90 103.211,91 15.349,92 1.033,93 1.796,94 34.167,95 10.951,96 129.362,97 13.889,98 0.487,99 1.497,100 29.658,101 10.786,102 50.041,103 14.585,104 17,105 54,106 0.263,107 0.605,108 0.801,109 0.862,110 0.867,111 0.867,112 3.56,113 0.917,114 -4.32,115 -4.26,116 -4.02,119 42.6,120 1,121 3,122 1,125 5,140 6,141 2,142 5,144 2,156 1,169 7,172 9,174 1,176 1,178 11,181 2,182 4,184 1,186 2,189 8,192 1,193 6,197 1,199 7,203 8,208 1,211 2,215 6,220 2,222 1,225 1,226 7,233 4,237 3,240 1,244 4,248 1,249 4,256 7,259 2040,260 22.927,261 22.927,262 22.927,263 22.927,264 22.927,265 20.659,266 28.725,267 13.392,268 23.492,269 18.797,270 18.797,271 18.797,272 18.797,273 18.797,274 15.248,275 32.906,276 6.45,277 19.733,278 4.297,279 2.167,280 0.947,281 0.57,282 0.537,283 0.537,284 4.269,288 1,289 1,290 1130,291 3.162,295 503.892,299 336.334,302 2.294,303 46.492,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 75.5,315 510,316 4.548,317 3.657,318 6.542,319 4.061,320 3.092,321 4.495,322 2.03,323 10.363,324 2.994,325 4.4,326 3.27,327 6.337,328 4.015,329 3.052,330 4.073,331 0.892,332 9.743,333 2.936,334 3.865,335 3.262,336 5.868,337 3.659,338 2.693,339 3.23,340 0.86,341 8.171,342 2.603,343 3.754,344 2.895,345 5.459,346 3.457,347 2.51,348 3.18,349 0.8,350 7.231,351 2.376,352 3.623,353 2.789,354 5.338,355 3.317,356 2.367,357 2.89,358 0.141,359 6.777,360 2.243,361 3.505,362 2.705,363 5.111,364 3.15,365 2.183,366 2.684,368 6.276,369 2.105,370 3.442,371 2.599,372 5.02,373 3.053,374 2.116,375 2.601,377 5.962,378 1.969,379 3.254,380 2.366,381 4.952,382 2.988,383 2.008,384 2.542,386 5.753,387 1.937,388 3.173,389 2.123,390 4.819,391 2.81,392 1.852,393 2.284,395 5.294,396 1.766,397 3.009,398 2.076,399 4.603,400 2.652,401 1.71,402 2.096,404 4.845,405 1.601,406 2.624,407 1.681,408 3.937,409 2.245,410 1.319,411 1.663,413 3.234,414 1.21,415 2.205,416 1.551,417 3.812,418 1.984,419 1.073,420 1.178,422 2.79,423 0.983,424 2.122,425 1.182,426 3.414,427 1.98,428 1,429 1.084,431 2.275,432 0.963,433 2,434 1.154,435 3.402,436 1.889,437 0.951,438 1,440 2.247,441 0.882,442 1.507,443 1.077,444 3.038,445 1.259,446 0.315,447 0.351,449 0.788,450 0.293,451 15.771,452 0.464,453 0.903,454 0.027,455 41.5,456 1.221,457 19,458 0.559,459 22.5,460 0.662,461 32.202,462 0.947,463 37.629,464 0.617,465 31.665,466 0.931,467 8.045,468 0.237,469 8.396,470 0.247,471 0.089,473 0.374,477 2,479 0.654,480 1.12,481 0.715,482 1.132,483 0.516,484 0.981,485 0.828,486 1.032,487 0.829,488 1.024,489 0.535,490 0.944,491 0.981,492 0.963,493 1.044,494 0.995,495 0.883,496 1.021,497 0.649,498 0.948,499 0.916,500 1.098,501 0.644,502 1.09,503 0.789,504 0.94,505 0.859,506 0.985,507 0.727,508 0.957,509 1.39,510 1.253,511 1.167,512 1.049,513 1.452,514 1.047,515 1.255,516 0.947,517 1.253,518 0.945,519 1.312,520 1.059,521 0.737,522 0.84,523 0.958,524 1.021,525 0.574,526 1.045,527 8,528 0.194,529 3.556,530 2.125,531 2.378,532 1.035,533 0.745,534 0.451,535 0.287,536 0.217,537 20392,538 58313,539 2.127,540 44.3,541 3,542 16,545 1,546 3,547 4,550 1.752,551 2,552 3.81,553 -0.363,555 1,559 99.672,560 1.634,561 3.763,562 4.984,563 5.361,564 5.394,565 5.394,566 3.204,567 4.771,568 5.064,569 4.045,570 2269.37,571 8.831,572 37232,577 361.775,578 1.379,579 5.023,580 0.211,581 0.008,582 0.066,583 0.039,584 0.051,585 0.024,586 0.019,587 0.013,588 0.008,589 0.007,590 0.445,591 0.17,592 0.75,593 0.513,594 186.899,595 -0.029,596 -0.107,597 0.054,598 -0.054,599 -0.013,600 0.008,601 -0.045,602 -0.088,603 0.041,604 -0.017,605 0.054,606 0.024,607 -0.05,608 0.003,609 -0.103,610 -0.018,611 -0.036,612 -0.059,613 0.163,614 -0.04,615 0.043,616 -0.094,617 0.1,618 -0.068,619 0.021,620 -0.078,621 0.125,622 -0.003,623 0.024,624 0.065,625 -0.18,626 -0.09,627 -0.124,628 -0.059,629 -0.158,630 -0.071,631 -0.068,632 0.183,633 -0.22,634 0.017,635 -0.073,636 -0.107,637 -0.034,638 -0.058,639 -0.02,640 -0.049,641 -0.019,642 -0.037,643 2.026,644 6.545,645 0.765,646 38.588,647 1.013,648 1.134,649 3.091,650 9.551,651 0.658,652 3.664,653 4.007,654 4.263,655 4.543,656 4.828,657 4.868,658 4.92,659 5.063,660 5.106,661 5.1,662 8.895,663 0.636,664 467.56,665 3.664,666 5.22,667 6.071,668 6.954,669 7.82,670 8.704,671 9.575,672 10.46,673 11.334,674 12.219,675 4.9,678 1,682 1,685 1,687 2,688 6,689 1,693 7,695 17,712 2,713 2,714 61,716 18,717 2,718 38,720 65,721 26,722 15,723 8,724 4,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,762 2,764 27,765 8,766 1,767 8,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 2,827 34,833 8,834 1,835 2,837 1,838 1,846 2,847 4.9,850 1,852 2,854 17,855 11.269,856 7.278,857 3.833,858 3.459,859 1.407,860 1,861 6.667,862 11.961,863 3.882,864 4.489,865 5.035,866 5.624,867 6.21,868 6.466,869 6.699,870 7.034,871 7.22,872 7.006,873 0.9,874 55,875 12.717,877 5.609,878 7.897,879 24.165,881 20.459,883 2.397,884 81.5,888 306.049,889 135.638,890 37.921,892 47.145,893 29.92,895 135.638,896 353.193,897 67.841,898 8.825,899 41.116,900 56.857,901 46.635,902 67.269,903 29.92,904 306.049,906 306.049,907 173.558,908 77.065,911 288.884,912 94.229,915 57.967,916 98.806,917 16.786,919 335.969,920 85.065,921 135.638,924 306.049,925 69.955,926 68.807,927 18.011,928 93.85,929 306.049,930 114.986,931 135.638,933 0.589,934 0.336,935 0.184,936 0.11,937 27,938 12,939 0.092,940 6,941 2,942 1.154,943 4.633,944 314.111,945 0.154,946 26,947 168.974,951 23.01,952 9.851,953 5.343,954 1.399,955 114.986,956 9.698,957 4.387,961 2.217,963 18.011,964 556.672,965 47.5,970 11.552,974 -0.224,975 61.8,976 69.2,977 0.276,978 0.635,979 0.84,980 0.904,981 0.909,982 0.909,983 5.143,984 2.008,985 6.061,986 5.962,987 4.691,988 5.176,989 2.496,990 6.858,991 4.599,992 6.345,993 1.852,994 7.609,995 5.753,996 4.29,997 5.075,998 1.668,999 7.678,1000 4.16,1001 7.654,1002 1.71,1003 9.249,1004 5.294,1005 6.279,1006 7.374,1007 3.324,1008 10.763,1009 6.111,1010 8.992,1011 1.319,1012 10.941,1013 4.845,1014 6.635,1015 8.067,1016 3.213,1017 12.383,1018 6.43,1019 10.361,1020 1.073,1021 12.667,1022 3.234,1023 8.115,1024 9.895,1025 4.506,1026 14.99,1027 7.879,1028 11.75,1029 1,1030 14.417,1031 2.79,1032 8.844,1033 10.981,1034 4.752,1035 16.981,1036 8.572,1037 13.158,1038 0.951,1039 16.185,1040 2.275,1041 10.108,1042 12.616,1043 5.816,1044 19.409,1045 9.806,1046 3.092,1047 0.315,1048 17.968,1049 2.247,1050 11.03,1051 13.904,1052 6.248,1053 21.576,1054 10.692,1055 3.052,1056 10.363,1057 19.764,1058 0.788,1059 12.2,1060 15.453,1061 7.175,1062 23.934,1063 11.833,1064 2.693,1065 9.743,1066 21.57,1067 4.495,1068 13.219,1069 16.842,1070 7.714,1071 26.183,1072 12.817,1073 2.51,1074 8.171,1075 23.385,1076 4.073,1077 14.352,1078 18.354,1079 8.557,1080 28.515,1081 13.919,1082 2.367,1083 7.231,1084 25.207,1085 3.23,1086 15.419,1087 19.793,1088 9.16,1089 30.801,1090 14.952,1091 2.183,1092 6.777,1093 27.035,1094 3.18,1095 16.538,1096 21.29,1097 9.952,1098 33.124,1099 16.039,1100 2.116,1101 6.276,1102 28.87,1103 2.89,1104 17.63,1105 22.754,1106 10.594,1107 35.429,1108 17.097,1109 18768,1110 31927,1111 25.66,1112 40.154,1113 56.784,1114 58.891,1115 58.044,1116 56.711,1117 56.688,1118 70.942,1119 9.447,1120 164.006,1121 53.908,1122 5.548,1123 5.657,1124 6.081,1125 5.169,1126 5.092,1127 7.495,1128 3.634,1129 17.34,1130 4.994,1131 16.302,1132 1.494,1133 1.55,1134 1.527,1135 1.492,1136 1.492,1137 1.867,1138 0.249,1139 4.316,1140 1.419,1141 4.085,1142 4.11,1143 4.052,1144 4.001,1145 8.203,1146 4.01,1147 4.003,1148 4.031,1149 3.958,1150 3.906,1151 8.2,1152 3.913,1153 3.841,1154 3.895,1155 3.731,1156 3.691,1157 7.429,1158 3.692,1159 3.571,1160 3.615,1161 3.487,1162 3.43,1163 4.98,1164 3.433,1165 3.528,1166 3.568,1167 3.458,1168 3.333,1169 4.79,1170 3.356,1171 3.418,1172 3.469,1173 3.291,1174 3.228,1175 4.572,1176 3.237,1177 3.136,1178 3.206,1179 3.033,1180 2.965,1181 4.332,1182 2.967,1183 3.111,1184 3.194,1185 2.912,1186 2.941,1187 4.178,1188 2.91,1189 0.12,1190 0.096,1191 0.172,1192 0.107,1193 0.081,1194 4.548,1195 0.118,1196 3.657,1197 0.053,1198 6.542,1199 0.273,1200 4.061,1201 0.079,1202 3.092,1203 4.495,1204 2.03,1205 10.363,1206 2.994,1207 2.028,1208 2.008,1209 2.103,1210 2.126,1211 1.478,1212 2.117,1213 1.955,1214 1.928,1215 2.088,1216 2.083,1217 1.218,1218 2.086,1219 1.809,1220 1.759,1221 1.95,1222 1.989,1223 1.147,1224 1.981,1225 1.534,1226 1.492,1227 1.745,1228 1.733,1229 1.003,1230 1.735,1231 1.467,1232 1.419,1233 1.688,1234 1.666,1235 0.825,1236 1.668,1237 1.373,1238 1.326,1239 1.586,1240 1.591,1241 0.796,1242 1.596,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.773,1248 1.429,1249 1.11,1250 1.049,1251 1.396,1252 1.326,1253 0.625,1254 1.343,1255 4.344,1257 5.68,1259 7.207,1261 8.827,1263 10.495,1265 1.876,1267 28.534,1271 5.422,1272 2.746,1273 11.211,1275 0.367,1276 2.317,1280 38.824,1281 99.672,1282 229.562,1283 304.001,1284 327.02,1285 329.02,1286 329.02,1287 73.092,1288 8.502,1289 63.69,1290 63.69,1291 30,1292 12.753,1293 4.248,1294 3.392,1295 50.504,1296 188,1297 150,1298 0.129,1299 231.626,1300 411.61,1301 556.927,1302 75768,1303 3.3,1304 23.656,1305 0.696,1306 0.561,1307 21.916,1308 19.073,1309 16.441,1310 0.433,1311 0.306,1312 11.42,1313 15.647,1314 11.198,1315 9.166,1316 15.636,1317 11.616,1318 15.379,1319 0.285,1320 0.167,1321 14.204,1322 9.037,1323 12.596,1324 0.18,1325 0.093,1326 11.863,1327 6.535,1328 10.683,1329 0.115,1330 0.051,1331 10.025,1332 4.703,1333 9.246,1334 0.075,1335 0.028,1336 8.573,1337 3.53,1338 0.213,1339 104.199,1340 0.197,1341 32.227,1342 0.331,1343 184,1344 649.052,1345 207.151,1346 563.872,1347 751.75,1348 528,1349 216,1350 537.395,1351 238.475,1352 527.592,1353 775.12,1354 497,1355 6.6} {0 CHEMBL238730,1 1.634,2 15.029,3 4.493,4 20.187,5 124.008,6 7.665,7 0.447,8 4.223,9 4.332,10 3.813,11 3.748,12 5.319,13 3.743,14 4.805,15 4.97,16 4.197,17 4.154,18 5.902,19 4.135,20 5.099,21 5.298,22 4.276,23 4.317,24 6.216,25 4.263,26 5.142,27 5.378,28 4.177,29 4.295,30 6.168,31 4.194,32 5.114,33 5.366,34 4.016,35 4.201,36 6.087,37 4.099,38 5.005,39 5.249,40 3.985,41 4.092,42 6.102,43 4.004,44 4.945,45 5.181,46 3.876,47 4.025,48 5.986,49 3.945,50 4.878,51 5.109,52 3.855,53 4.019,54 5.844,55 3.926,56 0.085,57 1.009,58 11.923,59 5.938,60 10.915,61 7.203,62 0.371,63 1.655,64 24.682,65 9.923,66 35.053,67 12.511,68 0.923,69 2.077,70 36.307,71 13.069,72 89.462,73 16.706,74 0.766,75 2.082,76 39.404,77 14.913,78 79.308,79 20.23,80 0.743,81 2.022,82 40.246,83 14.127,84 91.451,85 18.464,86 0.737,87 1.85,88 35.602,89 12.395,90 106.124,91 16.264,92 0.872,93 1.809,94 33.973,95 10.979,96 102.439,97 13.697,98 0.642,99 1.604,100 30.587,101 10.836,102 66.851,103 14.131,104 17,105 54,106 0.263,107 0.605,108 0.807,109 0.867,110 0.867,111 0.867,112 3.56,113 0.917,114 -4.32,115 -4.26,116 -4.02,119 42.6,120 1,121 3,122 1,125 5,140 6,141 2,142 5,144 2,156 1,169 8,172 8,174 1,176 1,178 12,181 2,182 5,184 1,186 1,189 7,192 1,193 6,197 2,199 8,203 7,208 1,215 8,220 2,222 1,225 1,226 6,233 4,237 3,240 1,244 4,248 1,249 5,256 7,259 2040,260 22.927,261 22.927,262 22.927,263 22.927,264 22.927,265 20.659,266 28.833,267 13.402,268 23.486,269 18.803,270 18.803,271 18.803,272 18.803,273 18.803,274 15.251,275 32.801,276 6.453,277 19.736,278 4.297,279 2.167,280 0.914,281 0.537,282 0.537,283 0.537,284 4.269,288 1,289 1,290 1132,291 3.162,295 504.348,299 336.308,302 2.322,303 45.901,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 75.5,315 511,316 4.548,317 3.671,318 6.542,319 4.061,320 3.092,321 4.495,322 2.03,323 10.363,324 2.994,325 4.429,326 3.286,327 6.499,328 4.036,329 3.083,330 4.104,331 0.892,332 10.168,333 2.938,334 3.766,335 3.263,336 5.599,337 3.652,338 2.684,339 3.23,340 0.86,341 7.72,342 2.605,343 3.752,344 2.908,345 5.348,346 3.368,347 2.407,348 2.992,349 0.8,350 6.923,351 2.314,352 3.623,353 2.71,354 5.311,355 3.314,356 2.36,357 2.89,358 0.141,359 6.764,360 2.244,361 3.51,362 2.668,363 5.221,364 3.217,365 2.251,366 2.794,368 6.403,369 2.153,370 3.468,371 2.583,372 5.02,373 3.054,374 2.124,375 2.586,377 5.963,378 1.96,379 3.251,380 2.361,381 4.947,382 2.921,383 1.955,384 2.539,386 5.786,387 1.881,388 3.184,389 2.155,390 4.819,391 2.808,392 1.849,393 2.382,395 5.293,396 1.764,397 3.073,398 2.087,399 4.766,400 2.765,401 1.792,402 2.106,404 5.111,405 1.719,406 2.623,407 1.85,408 3.937,409 2.242,410 1.315,411 1.662,413 3.231,414 1.207,415 2.205,416 1.562,417 3.807,418 1.984,419 1.112,420 1.181,422 2.823,423 0.983,424 2.141,425 1.164,426 3.414,427 1.975,428 1,429 1.105,431 2.275,432 0.952,433 2,434 1.077,435 3.404,436 1.91,437 0.962,438 1,440 2.26,441 0.901,442 1.41,443 1.015,444 3.027,445 1.218,446 0.263,447 0.286,449 0.667,450 0.249,451 15.771,452 0.464,453 0.903,454 0.027,455 41.5,456 1.221,457 19,458 0.559,459 22.5,460 0.662,461 32.138,462 0.945,463 37.629,464 0.617,465 31.657,466 0.931,467 8.044,468 0.237,469 8.396,470 0.247,471 0.089,473 0.374,477 2,479 0.654,480 1.12,481 0.715,482 1.132,483 0.516,484 0.981,485 0.828,486 1.032,487 0.829,488 1.024,489 0.538,490 0.944,491 0.909,492 0.937,493 1.032,494 0.993,495 0.851,496 1.027,497 0.567,498 0.923,499 0.84,500 1.101,501 0.507,502 1.068,503 1.009,504 0.986,505 1.007,506 0.982,507 0.982,508 0.992,509 0.949,510 1.089,511 0.978,512 1.046,513 0.864,514 1.028,515 1.38,516 1.02,517 1.274,518 0.95,519 1.453,520 1.046,521 0.97,522 0.899,523 1.084,524 1.019,525 0.916,526 1.07,527 8,528 0.21,529 3.333,530 2.5,531 2.098,532 1.125,533 0.726,534 0.408,535 0.307,536 0.217,537 20468,538 58713,539 2.127,540 44.3,541 3,542 16,545 1,546 3,547 4,550 1.752,551 2,552 3.807,553 -0.363,555 1,559 99.672,560 1.634,561 3.763,562 5.016,563 5.394,564 5.394,565 5.394,566 3.197,567 4.712,568 5.064,569 4.048,570 2271.11,571 8.83,572 37375.6,577 361.775,578 1.379,579 5.023,580 0.211,581 0.009,582 0.062,583 0.045,584 0.044,585 0.027,586 0.019,587 0.012,588 0.009,589 0.007,590 0.444,591 0.17,592 0.75,593 0.513,594 187.042,595 -0.029,596 -0.107,597 0.054,598 -0.054,599 -0.013,600 0.008,601 -0.045,602 -0.088,603 0.041,604 -0.017,605 0.052,606 0.024,607 0.023,608 0.029,609 -0.091,610 -0.015,611 -0.003,612 -0.065,613 0.17,614 -0.072,615 0.107,616 -0.1,617 0.134,618 -0.04,619 -0.083,620 -0.037,621 -0.004,622 0.004,623 -0.073,624 0.019,625 0.001,626 -0.121,627 0.021,628 -0.064,629 0.073,630 -0.028,631 -0.196,632 0.109,633 -0.241,634 0.012,635 -0.216,636 -0.094,637 -0.069,638 0.032,639 -0.113,640 -0.041,641 -0.088,642 -0.081,643 2.1,644 6.371,645 0.765,646 38.706,647 1.013,648 1.134,649 3.091,650 9.551,651 0.658,652 3.664,653 4.007,654 4.263,655 4.554,656 4.812,657 4.883,658 4.898,659 5.056,660 5.1,661 5.13,662 8.937,663 0.636,664 467.56,665 3.664,666 5.22,667 6.071,668 6.956,669 7.82,670 8.707,671 9.576,672 10.464,673 11.335,674 12.224,675 4.9,678 1,682 1,685 1,687 2,688 6,689 1,693 7,695 17,712 2,713 2,714 61,716 18,717 2,718 38,720 65,721 26,722 15,723 8,724 4,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,762 2,764 27,765 8,766 1,767 8,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 2,827 34,833 8,834 1,835 2,837 1,838 1,846 2,847 4.9,850 1,852 2,854 17,855 11.269,856 7.278,857 3.833,858 3.438,859 1.404,860 1,861 6.667,862 11.94,863 3.882,864 4.489,865 5.035,866 5.632,867 6.198,868 6.48,869 6.678,870 7.044,871 7.214,872 7.03,873 0.9,874 55,875 12.716,877 5.61,878 7.897,879 24.165,881 20.459,883 2.397,884 81.5,888 306.049,889 135.638,890 37.921,892 47.145,893 29.92,895 135.638,896 353.193,897 67.841,898 8.825,899 41.116,900 56.857,901 46.635,902 67.269,903 29.92,904 306.049,906 306.049,907 173.558,908 77.065,911 288.884,912 94.229,915 57.967,916 98.806,917 16.786,919 335.969,920 85.065,921 135.638,924 306.049,925 69.955,926 68.807,927 18.011,928 93.85,929 306.049,930 114.986,931 135.638,933 0.588,934 0.335,935 0.186,936 0.107,937 27,938 12,939 0.092,940 6,941 2,942 1.154,943 4.635,944 313.855,945 0.154,946 26,947 168.974,951 23.01,952 9.851,953 5.343,954 1.408,955 114.986,956 9.976,957 4.389,961 1.964,963 18.011,964 556.672,965 47.5,970 11.55,974 -0.266,975 61.8,976 69.2,977 0.276,978 0.635,979 0.846,980 0.909,981 0.909,982 0.909,983 5.143,984 1.955,985 6.061,986 5.963,987 4.691,988 5.176,989 2.496,990 6.86,991 4.599,992 6.345,993 1.849,994 7.609,995 5.786,996 4.29,997 5.075,998 1.668,999 7.687,1000 4.16,1001 7.654,1002 1.792,1003 9.249,1004 5.293,1005 6.279,1006 7.374,1007 3.324,1008 10.779,1009 6.11,1010 8.992,1011 1.315,1012 10.943,1013 5.111,1014 6.635,1015 8.067,1016 3.213,1017 12.419,1018 6.426,1019 10.361,1020 1.112,1021 12.671,1022 3.231,1023 8.116,1024 9.897,1025 4.506,1026 15.036,1027 7.875,1028 11.751,1029 1,1030 14.425,1031 2.823,1032 8.85,1033 10.986,1034 4.752,1035 17.056,1036 8.566,1037 13.16,1038 0.962,1039 16.198,1040 2.275,1041 10.117,1042 12.622,1043 5.816,1044 19.498,1045 9.801,1046 3.092,1047 0.263,1048 17.989,1049 2.26,1050 11.045,1051 13.914,1052 6.248,1053 21.692,1054 10.688,1055 3.083,1056 10.363,1057 19.792,1058 0.667,1059 12.22,1060 15.465,1061 7.175,1062 24.065,1063 11.829,1064 2.684,1065 10.168,1066 21.608,1067 4.495,1068 13.247,1069 16.857,1070 7.714,1071 26.336,1072 12.814,1073 2.407,1074 7.72,1075 23.433,1076 4.104,1077 14.384,1078 18.37,1079 8.557,1080 28.683,1081 13.917,1082 2.36,1083 6.923,1084 25.267,1085 3.23,1086 15.459,1087 19.811,1088 9.16,1089 30.986,1090 14.951,1091 2.251,1092 6.764,1093 27.108,1094 2.992,1095 16.584,1096 21.309,1097 9.952,1098 33.323,1099 16.039,1100 2.124,1101 6.403,1102 28.954,1103 2.89,1104 17.683,1105 22.774,1106 10.594,1107 35.641,1108 17.098,1109 18840,1110 32113,1111 25.66,1112 40.154,1113 56.542,1114 58.837,1115 58.057,1116 56.553,1117 56.497,1118 70.703,1119 9.447,1120 163.501,1121 53.728,1122 5.548,1123 5.671,1124 6.081,1125 5.169,1126 5.092,1127 7.495,1128 3.634,1129 17.34,1130 4.994,1131 16.345,1132 1.488,1133 1.548,1134 1.528,1135 1.488,1136 1.487,1137 1.861,1138 0.249,1139 4.303,1140 1.414,1141 4.085,1142 4.11,1143 4.052,1144 4.001,1145 8.203,1146 4.01,1147 4.003,1148 4.031,1149 3.959,1150 3.906,1151 8.2,1152 3.912,1153 3.843,1154 3.896,1155 3.733,1156 3.69,1157 7.429,1158 3.693,1159 3.57,1160 3.614,1161 3.483,1162 3.43,1163 4.98,1164 3.433,1165 3.525,1166 3.566,1167 3.449,1168 3.334,1169 4.766,1170 3.354,1171 3.418,1172 3.468,1173 3.295,1174 3.228,1175 4.572,1176 3.237,1177 3.144,1178 3.206,1179 3.053,1180 2.965,1181 4.348,1182 2.97,1183 3.111,1184 3.199,1185 2.943,1186 2.941,1187 4.221,1188 2.91,1189 0.12,1190 0.097,1191 0.172,1192 0.107,1193 0.081,1194 4.548,1195 0.118,1196 3.671,1197 0.053,1198 6.542,1199 0.273,1200 4.061,1201 0.079,1202 3.092,1203 4.495,1204 2.03,1205 10.363,1206 2.994,1207 2.028,1208 2.008,1209 2.105,1210 2.126,1211 1.478,1212 2.117,1213 1.956,1214 1.929,1215 2.089,1216 2.083,1217 1.218,1218 2.087,1219 1.808,1220 1.759,1221 1.949,1222 1.99,1223 1.148,1224 1.98,1225 1.534,1226 1.492,1227 1.744,1228 1.732,1229 1.002,1230 1.736,1231 1.468,1232 1.421,1233 1.688,1234 1.665,1235 0.825,1236 1.669,1237 1.375,1238 1.327,1239 1.595,1240 1.591,1241 0.796,1242 1.598,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.774,1248 1.429,1249 1.108,1250 1.047,1251 1.396,1252 1.327,1253 0.621,1254 1.341,1255 4.344,1257 5.68,1259 7.207,1261 8.828,1263 10.498,1265 1.878,1267 28.36,1271 5.649,1272 2.686,1273 11.131,1275 0.441,1276 2.335,1280 38.824,1281 99.672,1282 229.562,1283 306.001,1284 329.02,1285 329.02,1286 329.02,1287 72.495,1288 8.502,1289 63.69,1290 63.69,1291 30,1292 12.757,1293 4.248,1294 3.392,1295 50.521,1296 189,1297 150,1298 0.129,1299 231.626,1300 411.61,1301 556.927,1302 75670,1303 3.3,1304 23.656,1305 0.696,1306 0.561,1307 21.916,1308 19.073,1309 16.441,1310 0.433,1311 0.306,1312 11.42,1313 15.653,1314 11.197,1315 9.17,1316 15.636,1317 11.616,1318 15.389,1319 0.285,1320 0.168,1321 14.204,1322 9.052,1323 12.515,1324 0.179,1325 0.093,1326 11.863,1327 6.495,1328 10.906,1329 0.116,1330 0.051,1331 10.025,1332 4.753,1333 8.99,1334 0.074,1335 0.029,1336 8.573,1337 3.486,1338 0.212,1339 104.199,1340 0.197,1341 32.246,1342 0.328,1343 184,1344 649.052,1345 207.151,1346 564.019,1347 751.85,1348 528,1349 216,1350 537.395,1351 239.001,1352 527.927,1353 776.44,1354 497,1355 7.1} {0 CHEMBL238732,1 1.667,2 15.029,3 4.952,4 24.521,5 128.597,6 7.935,7 0.447,8 4.22,9 4.327,10 3.843,11 3.769,12 5.287,13 3.753,14 4.802,15 4.965,16 4.238,17 4.183,18 5.858,19 4.149,20 5.094,21 5.29,22 4.316,23 4.351,24 6.173,25 4.279,26 5.138,27 5.372,28 4.248,29 4.32,30 6.099,31 4.211,32 5.11,33 5.361,34 4.088,35 4.241,36 6.04,37 4.121,38 4.998,39 5.235,40 4.065,41 4.154,42 6.025,43 4.035,44 4.935,45 5.162,46 3.923,47 4.072,48 5.904,49 3.965,50 4.875,51 5.105,52 3.911,53 4.051,54 5.81,55 3.944,56 0.064,57 0.925,58 11.573,59 5.829,60 7.771,61 7.185,62 0.33,63 1.533,64 24.689,65 9.983,66 29.689,67 12.626,68 0.85,69 1.931,70 37.991,71 13.386,72 76.114,73 17.171,74 0.627,75 1.967,76 41.194,77 15.254,78 60.44,79 20.468,80 0.674,81 1.918,82 41.665,83 14.652,84 78.586,85 18.933,86 0.639,87 1.644,88 39.221,89 13.074,90 87.582,91 17.231,92 0.717,93 1.615,94 39.131,95 11.605,96 74.957,97 14.658,98 0.596,99 1.539,100 31.236,101 11.142,102 57.539,103 14.377,104 17,105 54,106 0.268,107 0.616,108 0.812,109 0.867,110 0.867,111 0.867,112 3.56,113 0.947,114 -4.42,115 -4.35,116 -4.1,119 42.6,120 1,121 3,122 1,125 5,140 6,141 2,142 5,144 2,156 1,169 8,172 8,174 1,176 1,178 14,181 2,182 5,184 1,186 1,189 7,192 1,193 8,197 2,199 9,203 7,208 1,211 1,215 8,220 2,222 3,225 1,226 7,233 4,237 3,240 1,244 4,248 1,249 5,256 9,259 2040,260 22.927,261 22.927,262 22.927,263 22.927,264 22.927,265 20.659,266 28.807,267 13.402,268 23.56,269 18.803,270 18.803,271 18.803,272 18.803,273 18.803,274 15.251,275 32.766,276 6.453,277 19.878,278 4.264,279 2.102,280 0.882,281 0.537,282 0.537,283 0.537,284 4.269,285 1,289 1,290 1132,291 3.162,295 504.348,299 336.308,302 2.322,303 39.126,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.333,315 511,316 4.548,317 3.671,318 6.542,319 4.057,320 3.092,321 4.495,322 2.03,323 10.363,324 2.981,325 4.429,326 3.286,327 6.499,328 4.036,329 3.083,330 4.104,331 0.892,332 10.168,333 2.938,334 3.766,335 3.267,336 5.599,337 3.652,338 2.684,339 3.23,340 0.86,341 7.72,342 2.605,343 3.752,344 2.908,345 5.348,346 3.368,347 2.407,348 2.992,349 0.8,350 6.923,351 2.314,352 3.623,353 2.729,354 5.311,355 3.308,356 2.36,357 2.89,358 0.141,359 6.764,360 2.229,361 3.51,362 2.668,363 5.221,364 3.216,365 2.251,366 2.794,368 6.403,369 2.152,370 3.468,371 2.584,372 5.02,373 3.013,374 2.124,375 2.586,377 5.963,378 1.892,379 3.251,380 2.361,381 4.947,382 2.919,383 1.955,384 2.539,386 5.786,387 1.833,388 3.184,389 2.155,390 4.819,391 2.802,392 1.849,393 2.382,395 5.293,396 1.72,397 3.073,398 2.088,399 4.766,400 2.765,401 1.792,402 2.106,404 5.111,405 1.715,406 2.623,407 1.85,408 3.937,409 2.237,410 1.315,411 1.662,413 3.231,414 1.191,415 2.205,416 1.562,417 3.807,418 1.984,419 1.112,420 1.181,422 2.823,423 0.983,424 2.141,425 1.166,426 3.414,427 1.974,428 1,429 1.105,431 2.275,432 0.947,433 2,434 1.077,435 3.404,436 1.905,437 0.962,438 1,440 2.26,441 0.891,442 1.41,443 1.015,444 3.027,445 1.218,446 0.263,447 0.286,449 0.667,450 0.249,451 16.2,452 0.476,453 0.903,454 0.027,455 41.5,456 1.221,457 19,458 0.559,459 22.5,460 0.662,461 33.13,462 0.974,463 37.2,464 0.61,465 30.665,466 0.902,467 7.913,468 0.233,469 8.527,470 0.251,471 0.113,473 0.364,477 1,479 0.684,480 1.196,481 0.637,482 1.058,483 0.532,484 0.947,485 0.88,486 1.074,487 0.735,488 0.95,489 0.557,490 0.911,491 0.919,492 0.952,493 0.985,494 0.979,495 0.855,496 1.02,497 0.614,498 1.018,499 0.735,500 1.076,501 0.541,502 1.042,503 1.085,504 1.007,505 0.88,506 0.907,507 1.131,508 0.957,509 0.875,510 1.03,511 1.052,512 1.043,513 0.704,514 1.035,515 1.318,516 1.037,517 1.426,518 1.1,519 1.338,520 1.118,521 1.055,522 0.928,523 0.927,524 0.948,525 1.061,526 1.034,527 8,528 0.21,529 3.333,530 2.5,531 2.098,532 1.125,533 0.726,534 0.408,535 0.307,536 0.217,537 20468,538 58713,539 2.127,540 44.3,541 3,542 16,545 1,546 3,547 4,550 1.752,551 2,552 3.807,553 -0.363,559 101.672,560 1.667,561 3.829,562 5.049,563 5.394,564 5.394,565 5.394,566 3.197,567 4.712,568 5.064,569 4.048,570 2271.11,571 8.83,572 37375.6,577 361.775,578 1.379,579 5.023,580 0.211,581 0.009,582 0.062,583 0.045,584 0.044,585 0.027,586 0.019,587 0.012,588 0.009,589 0.007,590 0.444,591 0.17,592 0.75,593 0.513,594 187.042,595 -0.029,596 -0.122,597 0.038,598 -0.051,599 -0.013,600 0.006,601 -0.047,602 -0.067,603 0.043,604 0.016,605 0.057,606 0.035,607 0.046,608 0.047,609 -0.089,610 -0.018,611 0.023,612 -0.068,613 0.152,614 -0.109,615 0.128,616 -0.091,617 0.125,618 -0.025,619 -0.099,620 0.029,621 0.032,622 0.074,623 -0.103,624 0.047,625 0.024,626 -0.11,627 0.003,628 -0.046,629 0.125,630 -0.025,631 -0.195,632 0.014,633 -0.279,634 -0.113,635 -0.21,636 -0.148,637 -0.079,638 0.096,639 -0.063,640 0.014,641 -0.114,642 -0.057,643 2.082,644 6.386,645 0.765,646 38.706,647 1.01,648 1.128,649 3.19,650 10.176,651 0.673,652 3.664,653 4.007,654 4.263,655 4.554,656 4.812,657 4.883,658 4.898,659 5.056,660 5.1,661 5.13,662 8.937,663 0.644,664 484.01,665 3.664,666 5.22,667 6.071,668 6.956,669 7.82,670 8.707,671 9.576,672 10.464,673 11.335,674 12.224,675 4.9,678 1,682 1,685 1,687 2,688 6,689 1,693 7,695 17,712 2,713 2,714 61,716 18,717 2,718 38,720 65,721 26,722 15,723 8,724 4,730 5,731 7,732 1,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,762 1,764 27,765 7,766 1,767 8,768 1,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,824 1,825 1,827 34,833 8,834 1,835 2,837 1,838 1,846 2,847 4.9,850 1,852 2,854 17,855 11.269,856 7.278,857 3.833,858 3.438,859 1.404,860 0.998,861 6.913,862 11.94,863 3.882,864 4.489,865 5.035,866 5.632,867 6.198,868 6.48,869 6.678,870 7.044,871 7.214,872 7.03,873 0.9,874 55,875 12.666,877 5.53,878 7.783,879 24.304,881 20.567,883 2.283,884 77.611,888 306.049,889 130.017,890 37.921,891 39.149,892 47.145,893 14.96,895 130.017,896 392.342,897 52.881,898 8.825,899 41.116,900 56.857,901 46.635,902 61.649,903 14.96,904 306.049,905 39.149,906 306.049,907 167.938,908 62.105,909 39.149,911 273.924,912 94.229,915 57.967,916 93.186,917 55.934,919 321.009,920 85.065,921 169.166,924 306.049,925 64.335,926 68.807,927 18.011,928 118.039,929 306.049,930 100.025,931 169.166,933 0.588,934 0.335,935 0.186,936 0.107,937 27,938 12,939 0.092,940 6,941 2,942 1.154,943 4.635,944 313.855,945 0.154,946 26,947 168.974,951 23.344,952 10.068,953 5.482,954 1.806,955 100.025,956 11.067,957 4.545,961 3.36,963 18.011,964 575.24,965 47.5,970 11.562,974 -0.253,975 61.611,976 68.804,977 0.281,978 0.646,979 0.851,980 0.909,981 0.909,982 0.909,983 5.143,984 1.955,985 6.061,986 5.963,987 4.691,988 5.176,989 2.496,990 6.86,991 4.587,992 6.345,993 1.849,994 7.609,995 5.786,996 4.29,997 5.075,998 1.668,999 7.687,1000 4.131,1001 7.654,1002 1.792,1003 9.249,1004 5.293,1005 6.279,1006 7.374,1007 3.324,1008 10.779,1009 6.093,1010 8.992,1011 1.315,1012 10.943,1013 5.111,1014 6.635,1015 8.067,1016 3.213,1017 12.419,1018 6.4,1019 10.361,1020 1.112,1021 12.671,1022 3.231,1023 8.116,1024 9.897,1025 4.506,1026 15.036,1027 7.856,1028 11.751,1029 1,1030 14.425,1031 2.823,1032 8.85,1033 10.986,1034 4.752,1035 17.056,1036 8.543,1037 13.16,1038 0.962,1039 16.198,1040 2.275,1041 10.117,1042 12.622,1043 5.816,1044 19.498,1045 9.781,1046 3.092,1047 0.263,1048 17.989,1049 2.26,1050 11.045,1051 13.914,1052 6.248,1053 21.692,1054 10.664,1055 3.083,1056 10.363,1057 19.792,1058 0.667,1059 12.22,1060 15.465,1061 7.175,1062 24.065,1063 11.806,1064 2.684,1065 10.168,1066 21.608,1067 4.495,1068 13.247,1069 16.857,1070 7.714,1071 26.336,1072 12.788,1073 2.407,1074 7.72,1075 23.433,1076 4.104,1077 14.384,1078 18.37,1079 8.557,1080 28.683,1081 13.89,1082 2.36,1083 6.923,1084 25.267,1085 3.23,1086 15.459,1087 19.811,1088 9.16,1089 30.986,1090 14.921,1091 2.251,1092 6.764,1093 27.108,1094 2.992,1095 16.584,1096 21.309,1097 9.952,1098 33.323,1099 16.007,1100 2.124,1101 6.403,1102 28.954,1103 2.89,1104 17.683,1105 22.774,1106 10.594,1107 35.641,1108 17.063,1109 18840,1110 32113,1111 25.66,1112 41.074,1113 56.542,1114 58.854,1115 58.057,1116 56.653,1117 56.497,1118 70.703,1119 9.447,1120 163.501,1121 53.28,1122 5.548,1123 5.671,1124 6.081,1125 5.165,1126 5.092,1127 7.495,1128 3.634,1129 17.34,1130 4.981,1131 16.345,1132 1.488,1133 1.549,1134 1.528,1135 1.491,1136 1.487,1137 1.861,1138 0.249,1139 4.303,1140 1.402,1141 4.083,1142 4.106,1143 4.109,1144 4.009,1145 8.201,1146 4.014,1147 4.002,1148 4.03,1149 3.961,1150 3.906,1151 7.429,1152 3.912,1153 3.842,1154 3.896,1155 3.734,1156 3.69,1157 5.068,1158 3.693,1159 3.568,1160 3.611,1161 3.665,1162 3.448,1163 4.766,1164 3.442,1165 3.522,1166 3.56,1167 3.462,1168 3.336,1169 4.694,1170 3.355,1171 3.415,1172 3.465,1173 3.343,1174 3.231,1175 4.547,1176 3.239,1177 3.141,1178 3.206,1179 3.155,1180 2.983,1181 4.342,1182 2.978,1183 3.111,1184 3.193,1185 2.988,1186 2.941,1187 4.211,1188 2.91,1189 0.12,1190 0.097,1191 0.172,1192 0.107,1193 0.081,1194 4.548,1195 0.118,1196 3.671,1197 0.053,1198 6.542,1199 0.273,1200 4.057,1201 0.078,1202 3.092,1203 4.495,1204 2.03,1205 10.363,1206 2.981,1207 2.029,1208 2.011,1209 2.104,1210 2.118,1211 1.478,1212 2.114,1213 1.956,1214 1.929,1215 2.085,1216 2.083,1217 1.223,1218 2.086,1219 1.808,1220 1.759,1221 1.949,1222 1.989,1223 1.148,1224 1.98,1225 1.536,1226 1.497,1227 1.742,1228 1.731,1229 1.002,1230 1.735,1231 1.469,1232 1.422,1233 1.682,1234 1.655,1235 0.825,1236 1.664,1237 1.375,1238 1.328,1239 1.594,1240 1.582,1241 0.802,1242 1.596,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.775,1248 1.429,1249 1.111,1250 1.053,1251 1.387,1252 1.322,1253 0.621,1254 1.335,1255 4.344,1257 5.68,1259 7.207,1261 8.828,1263 10.498,1265 1.957,1266 6.261,1267 14.386,1271 6.049,1272 2.701,1273 11.3,1275 0.473,1276 2.396,1280 39.268,1281 101.672,1282 233.562,1283 308.001,1284 329.02,1285 329.02,1286 329.02,1287 65.851,1288 8.502,1289 63.69,1290 63.69,1291 30,1292 12.757,1293 4.248,1294 3.392,1295 50.521,1296 189,1297 150,1298 0.129,1299 238.76,1300 420.75,1301 574.336,1302 75670,1303 3.3,1304 23.656,1305 0.696,1306 0.583,1307 23.286,1308 19.829,1309 16.441,1310 0.433,1311 0.316,1312 11.476,1313 15.462,1314 11.197,1315 9.17,1316 16.319,1317 11.993,1318 15.389,1319 0.285,1320 0.176,1321 15.258,1322 9.488,1323 12.515,1324 0.179,1325 0.096,1326 12.359,1327 6.713,1328 10.906,1329 0.116,1330 0.053,1331 10.689,1332 4.955,1333 8.99,1334 0.074,1335 0.03,1336 9.137,1337 3.66,1338 0.212,1339 106.508,1340 0.197,1341 32.246,1342 0.328,1343 184,1344 589.144,1345 218.84,1346 564.019,1347 751.85,1348 528,1349 216,1350 520.925,1351 245.849,1352 527.927,1353 776.44,1354 497,1355 6.2} {0 CHEMBL239166,1 1.565,2 14.97,3 4.746,4 22.528,5 128.38,6 7.64,7 0.459,8 4.213,9 4.323,10 3.81,11 3.771,12 5.234,13 3.744,14 4.793,15 4.96,16 4.194,17 4.184,18 5.79,19 4.137,20 5.081,21 5.282,22 4.245,23 4.353,24 6.058,25 4.263,26 5.125,27 5.365,28 4.154,29 4.323,30 5.981,31 4.189,32 5.086,33 5.346,34 4.023,35 4.245,36 5.888,37 4.098,38 4.983,39 5.227,40 3.973,41 4.157,42 5.826,43 4.014,44 4.914,45 5.149,46 3.851,47 4.076,48 5.767,49 3.942,50 4.855,51 5.092,52 3.865,53 4.054,54 5.677,55 3.93,56 0.017,57 0.856,58 12.354,59 5.796,60 6.357,61 7.472,62 0.237,63 1.436,64 25.479,65 9.935,66 26.405,67 13.07,68 0.593,69 1.805,70 38.114,71 13.315,72 56.554,73 17.764,74 0.442,75 1.81,76 40.97,77 15.203,78 46.505,79 20.92,80 0.373,81 1.709,82 40.148,83 14.52,84 44.637,85 20.03,86 0.359,87 1.535,88 38.6,89 13.017,90 44.739,91 17.673,92 0.501,93 1.452,94 38.104,95 11.505,96 48.708,97 15.544,98 0.334,99 1.402,100 30.531,101 11.075,102 31.799,103 15.033,104 10,105 52,106 0.252,107 0.594,108 0.801,109 0.867,110 0.867,111 0.867,112 3.531,113 0.964,114 -4.32,115 -4.26,116 -4.02,119 42.6,120 1,121 3,122 1,125 5,140 7,141 2,142 4,144 2,156 1,169 9,172 9,174 1,176 1,178 15,181 2,182 5,184 1,186 2,189 9,192 1,193 8,197 2,199 10,203 8,208 1,211 3,215 8,220 2,222 3,225 1,226 8,233 4,237 3,240 1,244 4,248 1,249 5,256 9,259 1927,260 22.427,261 22.427,262 22.427,263 22.427,264 22.427,265 20.212,266 28.422,267 13.193,268 23.014,269 18.319,270 18.319,271 18.319,272 18.319,273 18.319,274 14.857,275 32.094,276 6.363,277 19.295,278 4.366,279 2.238,280 0.949,281 0.537,282 0.537,283 0.537,284 4.243,285 1,288 1,289 1,290 1099,291 3.082,295 489.833,299 326.196,302 2.342,303 27.906,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70.833,315 494,316 4.548,317 3.653,318 6.542,319 4.057,320 3.092,321 4.495,322 2.03,323 10.363,324 2.981,325 4.305,326 3.267,327 6.214,328 3.932,329 2.968,330 3.931,331 0.892,332 9.355,333 2.864,334 3.766,335 3.05,336 5.59,337 3.649,338 2.681,339 3.23,340 0.86,341 7.691,342 2.599,343 3.751,344 2.896,345 5.346,346 3.358,347 2.402,348 2.992,349 0.8,350 6.897,351 2.299,352 3.582,353 2.728,354 5.301,355 3.304,356 2.356,357 2.89,358 0.141,359 6.76,360 2.227,361 3.505,362 2.656,363 5.02,364 3.138,365 2.153,366 2.683,368 5.964,369 2.103,370 3.419,371 2.582,372 4.977,373 3.011,374 2.114,375 2.569,377 5.918,378 1.88,379 3.25,380 2.156,381 4.904,382 2.898,383 1.922,384 2.536,386 5.637,387 1.831,388 3.074,389 2.09,390 4.819,391 2.801,392 1.846,393 2.107,395 5.293,396 1.715,397 2.884,398 1.921,399 4.381,400 2.505,401 1.564,402 2.009,404 4.26,405 1.466,406 2.623,407 1.564,408 3.936,409 2.237,410 1.314,411 1.662,413 3.229,414 1.191,415 2.159,416 1.337,417 3.414,418 1.984,419 1,420 1.123,422 2.275,423 0.983,424 2.012,425 1.166,426 3.409,427 1.92,428 0.969,429 1,431 2.273,432 0.906,433 2,434 1.077,435 3.297,436 1.717,437 0.795,438 0.935,440 1.861,441 0.724,442 1.409,443 0.718,444 3.006,445 1.218,446 0.263,447 0.286,449 0.663,450 0.249,451 15.914,452 0.482,453 0.814,454 0.025,455 40.75,456 1.235,457 19,458 0.576,459 21.75,460 0.659,461 31.448,462 0.953,463 35.686,464 0.585,465 28.76,466 0.872,467 7.695,468 0.233,469 8.335,470 0.253,471 0.097,473 0.339,479 0.757,480 1.319,481 0.667,482 1.059,483 0.586,484 0.954,485 1.003,486 1.149,487 0.769,488 0.949,489 0.606,490 0.922,491 1.058,492 0.982,493 1.015,494 0.98,495 0.972,496 1.024,497 0.625,498 1.059,499 0.778,500 1.075,501 0.473,502 1.057,503 0.821,504 0.938,505 0.789,506 0.907,507 0.698,508 0.938,509 0.986,510 1.064,511 1.085,512 1.044,513 0.849,514 1.039,515 1.2,516 0.979,517 1.375,518 1.1,519 1.177,520 1.104,521 0.97,522 0.981,523 0.858,524 0.953,525 0.851,526 1.004,527 7.5,528 0.194,529 3.111,530 1.938,531 1.947,532 0.896,533 0.644,534 0.392,535 0.262,536 0.197,537 19295,538 50710,539 2.15,540 45.9,541 3,542 17,545 1,546 3,547 4,550 1.744,551 2.041,552 3.812,553 -0.382,559 95.448,560 1.565,561 3.693,562 4.981,563 5.394,564 5.394,565 5.394,566 3.222,567 4.779,568 5.02,569 4.046,570 2136.54,571 8.74,572 34522,577 361.775,578 1.301,579 4.989,580 0.203,581 0.008,582 0.06,583 0.037,584 0.044,585 0.023,586 0.018,587 0.012,588 0.008,589 0.007,590 0.42,591 0.17,592 0.75,593 0.467,594 180.223,595 -0.019,596 -0.146,597 0.044,598 -0.051,599 -0.01,600 0.007,601 -0.043,602 -0.042,603 0.032,604 0.018,605 0.081,606 0.025,607 -0.013,608 0.068,609 -0.109,610 -0.018,611 -0.008,612 -0.071,613 0.139,614 -0.103,615 0.08,616 -0.087,617 0.133,618 -0.048,619 -0.016,620 -0.001,621 0.097,622 0.07,623 0.008,624 0.071,625 -0.072,626 -0.116,627 -0.028,628 -0.046,629 -0.038,630 -0.036,631 -0.144,632 0.009,633 -0.231,634 -0.116,635 -0.193,636 -0.128,637 -0.068,638 0.007,639 -0.006,640 0.008,641 -0.073,642 -0.024,643 1.757,644 4.573,645 0.788,646 37.715,647 1.002,648 1.122,649 3.091,650 9.551,651 0.674,652 3.638,653 3.97,654 4.22,655 4.5,656 4.771,657 4.804,658 4.844,659 5.004,660 5.043,661 5.063,662 8.873,663 0.637,664 466.02,665 3.638,666 5.187,667 6.033,668 6.911,669 7.77,670 8.649,671 9.514,672 10.394,673 11.26,674 12.14,675 4.9,678 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 61,716 18,717 2,718 37,720 65,721 26,722 15,723 7,724 5,730 5,731 7,732 1,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,764 28,765 6,766 1,767 7,768 1,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,824 1,827 33,833 8,834 1,835 2,837 1,838 1,846 1,847 4.9,850 1,852 2,854 16.167,855 11.21,856 7.083,857 3.845,858 3.439,859 1.408,860 0.998,861 6.723,862 11.873,863 3.861,864 4.454,865 4.996,866 5.585,867 6.165,868 6.414,869 6.645,870 7.009,871 7.188,872 6.98,873 0.9,874 52,875 12.238,877 5.251,878 7.62,879 23.883,881 20.193,883 2.12,884 69.944,888 317.82,889 130.373,890 37.921,891 39.149,892 47.145,895 130.373,896 404.113,897 37.921,898 8.825,899 41.116,900 66.334,901 46.635,902 52.528,904 317.82,905 39.149,906 317.82,907 168.293,908 47.145,909 39.149,911 270.735,912 94.229,915 57.967,916 93.541,917 55.934,919 317.82,920 85.065,921 169.521,924 317.82,925 55.214,926 78.283,927 18.011,928 103.079,929 317.82,930 85.065,931 169.521,933 0.585,934 0.332,935 0.183,936 0.108,937 26,938 11,939 0.092,940 6,941 2,942 1.154,943 4.612,944 299.048,945 0.154,946 26,947 162.465,951 22.454,952 9.88,953 5.429,954 1.863,955 85.065,956 13.933,957 4.563,961 5.196,963 18.011,964 572.406,965 46.5,970 11.573,974 -0.09,975 61.098,976 68.465,977 0.264,978 0.623,979 0.84,980 0.909,981 0.909,982 0.909,983 5.113,984 1.922,985 6.014,986 5.918,987 4.654,988 5.142,989 2.496,990 6.795,991 4.558,992 6.305,993 1.846,994 7.549,995 5.637,996 4.205,997 4.987,998 1.668,999 7.582,1000 4.061,1001 7.606,1002 1.564,1003 9.175,1004 5.293,1005 6.225,1006 7.322,1007 3.324,1008 10.661,1009 6.053,1010 8.935,1011 1.314,1012 10.855,1013 4.26,1014 6.538,1015 7.972,1016 3.213,1017 12.263,1018 6.328,1019 10.295,1020 1,1021 12.568,1022 3.229,1023 8.039,1024 9.826,1025 4.506,1026 14.86,1027 7.801,1028 11.677,1029 0.969,1030 14.307,1031 2.275,1032 8.735,1033 10.885,1034 4.752,1035 16.844,1036 8.461,1037 13.077,1038 0.795,1039 16.066,1040 2.273,1041 10.009,1042 12.534,1043 5.816,1044 19.263,1045 9.706,1046 3.092,1047 0.263,1048 17.84,1049 1.861,1050 10.907,1051 13.809,1052 6.248,1053 21.429,1054 10.568,1055 2.968,1056 10.363,1057 19.628,1058 0.663,1059 12.079,1060 15.366,1061 7.175,1062 23.782,1063 11.71,1064 2.681,1065 9.355,1066 21.427,1067 4.495,1068 13.081,1069 16.75,1070 7.714,1071 26.031,1072 12.676,1073 2.402,1074 7.691,1075 23.236,1076 3.931,1077 14.21,1078 18.267,1079 8.557,1080 28.361,1081 13.774,1082 2.356,1083 6.897,1084 25.054,1085 3.23,1086 15.265,1087 19.705,1088 9.16,1089 30.649,1090 14.792,1091 2.153,1092 6.76,1093 26.879,1094 2.992,1095 16.378,1096 21.207,1097 9.952,1098 32.972,1099 15.872,1100 2.114,1101 5.964,1102 28.71,1103 2.89,1104 17.46,1105 22.673,1106 10.594,1107 35.278,1108 16.917,1109 17675,1110 28832,1111 25.255,1112 41.137,1113 54.919,1114 56.795,1115 55.994,1116 54.996,1117 54.876,1118 68.892,1119 9.447,1120 156.877,1121 52.033,1122 5.548,1123 5.653,1124 6.081,1125 5.165,1126 5.092,1127 7.495,1128 3.634,1129 17.34,1130 4.981,1131 14.006,1132 1.484,1133 1.535,1134 1.513,1135 1.486,1136 1.483,1137 1.862,1138 0.255,1139 4.24,1140 1.406,1141 4.083,1142 4.106,1143 4.109,1144 4.009,1145 7.429,1146 4.014,1147 3.996,1148 4.027,1149 3.941,1150 3.907,1151 5.068,1152 3.909,1153 3.84,1154 3.894,1155 3.731,1156 3.691,1157 4.846,1158 3.691,1159 3.568,1160 3.611,1161 3.665,1162 3.448,1163 4.694,1164 3.442,1165 3.521,1166 3.559,1167 3.457,1168 3.336,1169 4.547,1170 3.355,1171 3.412,1172 3.462,1173 3.335,1174 3.231,1175 4.344,1176 3.237,1177 3.132,1178 3.206,1179 3.144,1180 2.983,1181 4.224,1182 2.976,1183 3.111,1184 3.186,1185 2.947,1186 2.941,1187 3.933,1188 2.91,1189 0.123,1190 0.099,1191 0.177,1192 0.11,1193 0.084,1194 4.548,1195 0.121,1196 3.653,1197 0.055,1198 6.542,1199 0.28,1200 4.057,1201 0.081,1202 3.092,1203 4.495,1204 2.03,1205 10.363,1206 2.981,1207 2.029,1208 2.011,1209 2.109,1210 2.118,1211 1.478,1212 2.114,1213 1.96,1214 1.932,1215 2.086,1216 2.082,1217 1.223,1218 2.089,1219 1.811,1220 1.76,1221 1.968,1222 1.989,1223 1.154,1224 1.984,1225 1.536,1226 1.497,1227 1.743,1228 1.731,1229 1.006,1230 1.735,1231 1.469,1232 1.422,1233 1.682,1234 1.655,1235 0.825,1236 1.665,1237 1.377,1238 1.329,1239 1.597,1240 1.582,1241 0.802,1242 1.599,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.776,1248 1.429,1249 1.113,1250 1.055,1251 1.391,1252 1.32,1253 0.633,1254 1.343,1255 4.317,1257 5.645,1259 7.165,1261 8.776,1263 10.435,1265 1.975,1266 6.275,1271 7.075,1272 2.9,1273 11.573,1275 0.645,1276 2.465,1280 38.884,1281 95.448,1282 225.279,1283 303.859,1284 329.02,1285 329.02,1286 329.02,1287 52.104,1288 8.434,1289 63.69,1290 63.69,1291 30,1292 12.679,1293 4.248,1294 3.392,1295 48.353,1296 181,1297 144,1298 0.128,1299 237.562,1300 414.68,1301 571.412,1302 70228,1303 1.6,1304 22.786,1305 0.69,1306 0.592,1307 23.286,1308 19.529,1309 16.03,1310 0.433,1311 0.321,1312 11.395,1313 15.158,1314 11.096,1315 9.108,1316 16.319,1317 11.888,1318 14.85,1319 0.286,1320 0.18,1321 15.258,1322 9.365,1323 12.123,1324 0.181,1325 0.099,1326 12.359,1327 6.665,1328 10.386,1329 0.117,1330 0.055,1331 10.689,1332 4.882,1333 8.855,1334 0.076,1335 0.031,1336 9.137,1337 3.659,1338 0.211,1339 103.178,1340 0.199,1341 31.561,1342 0.325,1343 178,1344 495.033,1345 209.009,1346 501.868,1347 679.8,1348 472,1349 208,1350 476.591,1351 233.832,1352 490.107,1353 718.45,1354 462,1355 6.1} {0 CHEMBL239167,1 1.507,2 15.059,3 3.961,4 15.689,5 129.313,6 7.364,7 0.447,8 4.226,9 4.338,10 3.792,11 3.779,12 5.298,13 3.76,14 4.799,15 4.967,16 4.151,17 4.187,18 5.801,19 4.146,20 5.088,21 5.292,22 4.218,23 4.361,24 6.093,25 4.281,26 5.146,27 5.389,28 4.084,29 4.34,30 6.028,31 4.214,32 5.106,33 5.365,34 3.99,35 4.253,36 5.995,37 4.125,38 4.996,39 5.242,40 3.918,41 4.171,42 5.876,43 4.049,44 4.95,45 5.19,46 3.862,47 4.107,48 5.88,49 3.993,50 4.911,51 5.156,52 3.823,53 4.077,54 5.815,55 3.961,56 0.01,57 0.89,58 12.662,59 5.791,60 9.763,61 7.471,62 0.222,63 1.48,64 25.149,65 9.824,66 25.126,67 13.034,68 0.544,69 1.885,70 35.688,71 13.043,72 58.333,73 17.705,74 0.311,75 1.914,76 39.025,77 15.056,78 48.645,79 21.045,80 0.426,81 1.805,82 38.725,83 14.225,84 60.508,85 20.001,86 0.289,87 1.654,88 33.916,89 12.547,90 44.87,91 17.602,92 0.374,93 1.618,94 32.331,95 11.098,96 56.987,97 15.591,98 0.397,99 1.537,100 31.324,101 10.955,102 52.423,103 15.249,104 11,105 53,106 0.24,107 0.598,108 0.8,109 0.865,110 0.865,111 0.865,112 3.56,113 0.931,114 -3.49,115 -3.46,116 -3.31,119 43.5,120 1,121 3,122 1,125 5,140 7,141 3,142 3,144 2,156 2,169 11,172 10,174 1,176 1,178 13,181 2,182 9,184 1,186 2,189 10,192 1,193 6,197 2,199 10,202 2,203 9,208 1,211 4,215 10,220 2,222 1,225 1,226 9,233 4,236 1,237 3,240 1,244 6,248 1,249 5,256 8,259 2100,260 23.298,261 23.298,262 23.298,263 23.298,264 23.298,265 21.043,266 30.145,267 13.699,268 23.758,269 18.746,270 18.746,271 18.746,272 18.746,273 18.746,274 15.097,275 33.939,276 6.518,277 19.483,278 4.447,279 2.202,280 0.934,281 0.528,282 0.528,283 0.528,284 4.272,288 1,289 1,290 1134,291 3.24,295 506.849,299 337.809,302 2.349,303 30.079,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 73,315 512,316 4.559,317 4.06,318 6.547,319 4.073,320 3.098,321 4.503,322 2.035,323 10.389,324 3.018,325 4.305,326 3.653,327 6.214,328 3.932,329 2.968,330 3.931,331 2.03,332 9.355,333 2.864,334 3.877,335 3.203,336 5.59,337 3.649,338 2.681,339 3.307,340 0.892,341 7.691,342 2.599,343 3.764,344 3.05,345 5.349,346 3.366,347 2.406,348 3.027,349 0.86,350 6.899,351 2.324,352 3.673,353 2.893,354 5.303,355 3.346,356 2.376,357 2.992,358 0.8,359 6.805,360 2.298,361 3.578,362 2.656,363 5.264,364 3.185,365 2.216,366 2.683,367 0.141,368 6.59,369 2.137,370 3.421,371 2.59,372 4.977,373 3.129,374 2.138,375 2.581,377 5.92,378 2.095,379 3.279,380 2.322,381 4.904,382 2.902,383 1.924,384 2.548,386 5.638,387 1.872,388 3.076,389 2.135,390 4.821,391 2.816,392 1.853,393 2.107,395 5.312,396 1.777,397 2.994,398 2.066,399 4.381,400 2.505,401 1.564,402 2.009,404 4.26,405 1.466,406 2.884,407 1.921,408 3.986,409 2.261,410 1.326,411 1.742,413 3.289,414 1.23,415 2.577,416 1.561,417 3.418,418 1.984,419 1,420 1.167,422 2.305,423 0.983,424 2.155,425 1.337,426 3.414,427 1.953,428 0.995,429 1,431 2.275,432 0.948,433 2.012,434 1.134,435 3.297,436 1.718,437 0.795,438 0.937,440 1.861,441 0.725,442 2,443 1.077,444 3.008,445 1.392,446 0.447,447 0.865,449 0.692,450 0.421,451 16.1,452 0.474,453 0.776,454 0.023,455 44.25,456 1.301,457 22,458 0.647,459 22.25,460 0.654,461 30.575,462 0.899,463 36.1,464 0.582,465 32.25,466 0.949,467 8.337,468 0.245,469 8.231,470 0.242,471 0.077,473 0.335,479 0.784,480 1.284,481 0.776,482 1.109,483 0.519,484 0.966,485 1.041,486 1.105,487 0.904,488 0.995,489 0.531,490 0.938,491 1.046,492 0.982,493 1.073,494 1.003,495 0.805,496 1.031,497 0.74,498 1.054,499 0.951,500 1.102,501 0.582,502 1.07,503 0.835,504 0.889,505 0.914,506 0.941,507 0.61,508 0.944,509 0.894,510 1.083,511 0.98,512 1.05,513 0.736,514 1.036,515 1.111,516 1.068,517 1.141,518 1.042,519 1.165,520 1.083,521 1.079,522 0.89,523 1.099,524 0.965,525 1.154,526 1.019,527 7.5,528 0.202,529 3.111,530 1.938,531 1.987,532 0.958,533 0.705,534 0.42,535 0.262,536 0.197,537 20624,538 53227,539 2.145,540 45.2,541 3,542 17,545 1,546 3,547 4,550 1.752,551 2.04,552 3.832,553 -0.392,559 93.417,560 1.507,561 3.753,562 5.02,563 5.426,564 5.426,565 5.426,566 3.223,567 4.911,568 5.063,569 4.064,570 2279.63,571 8.831,572 37645.2,577 369.16,578 1.286,579 5.033,580 0.197,581 0.008,582 0.059,583 0.036,584 0.043,585 0.023,586 0.018,587 0.012,588 0.007,589 0.006,590 0.41,591 0.33,592 0.88,593 0.608,594 187.259,595 -0.017,596 -0.138,597 0.066,598 -0.054,599 0.035,600 0.007,601 -0.043,602 -0.028,603 0.021,604 0.01,605 0.056,606 0.023,607 0.012,608 0.049,609 -0.107,610 -0.019,611 0.019,612 -0.068,613 0.044,614 -0.112,615 0.017,616 -0.092,617 0.064,618 -0.05,619 0.034,620 0.038,621 0.083,622 0.054,623 0.089,624 0.07,625 -0.042,626 -0.134,627 0.001,628 -0.054,629 -0.005,630 -0.029,631 -0.131,632 -0.065,633 -0.149,634 -0.084,635 -0.151,636 -0.115,637 -0.099,638 0.1,639 -0.104,640 0.001,641 -0.146,642 -0.042,643 1.765,644 4.581,645 0.765,646 39.412,647 1,648 1.123,649 2.257,650 5.096,651 0.67,652 3.664,653 3.989,654 4.248,655 4.522,656 4.804,657 4.852,658 4.913,659 5.043,660 5.106,661 5.1,662 8.995,663 0.638,664 456.59,665 3.664,666 5.209,667 6.057,668 6.932,669 7.794,670 8.673,671 9.54,672 10.42,673 11.289,674 12.17,675 6.5,678 1,682 1,684 1,685 1,687 2,688 7,689 1,693 6,695 17,697 1,712 2,714 62,716 19,717 2,718 38,720 66,721 27,722 15,723 7,724 5,730 5,731 7,736 1,740 2,741 1,743 3,744 1,745 16,746 10,747 1,750 1,755 1,759 1,764 28,765 7,766 1,767 7,773 4,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 34,833 8,834 1,835 2,837 1,838 1,840 1,843 1,845 1,847 4.8,850 1,852 2,854 16.667,855 11.517,856 7.417,857 3.922,858 3.573,859 1.42,860 0.993,861 6.669,862 12.07,863 3.922,864 4.489,865 5.055,866 5.635,867 6.24,868 6.541,869 6.849,870 7.143,871 7.414,872 7.196,873 0.9,874 54,875 12.592,877 5.396,878 7.686,879 24.431,881 20.559,883 2.186,884 74.333,887 1,888 317.82,889 146.659,890 68.98,892 47.145,895 146.659,896 364.964,897 68.98,898 8.825,899 41.116,900 66.334,901 63.237,902 83.272,904 317.82,906 317.82,907 215.639,908 47.145,911 270.735,912 94.229,915 89.026,916 109.828,917 16.786,919 317.82,920 116.125,921 146.659,924 317.82,925 54.899,926 78.283,927 34.612,928 94.99,929 317.82,930 116.125,931 146.659,933 0.581,934 0.335,935 0.183,936 0.109,937 26,938 11,939 0.091,940 6,941 2,942 1.154,943 4.679,944 311.342,945 0.154,946 26,947 168.974,951 22.652,952 10.01,953 5.354,954 1.734,955 116.125,956 13.697,957 4.544,961 4.97,963 18.011,964 580.604,965 49.5,970 11.581,974 -0.098,975 61.992,976 69.604,977 0.253,978 0.63,979 0.843,980 0.911,981 0.911,982 0.911,983 5.178,984 1.924,985 6.033,986 5.92,987 4.673,988 5.176,989 3.016,990 6.815,991 4.601,992 6.374,993 1.853,994 7.569,995 5.638,996 4.205,997 4.987,998 1.668,999 7.609,1000 4.122,1001 7.675,1002 1.564,1003 9.196,1004 5.312,1005 6.244,1006 7.357,1007 4.128,1008 10.685,1009 6.111,1010 9.004,1011 1.326,1012 10.876,1013 4.26,1014 6.553,1015 7.995,1016 3.213,1017 12.29,1018 6.403,1019 10.363,1020 1,1021 12.591,1022 3.289,1023 8.059,1024 9.859,1025 5.449,1026 14.883,1027 7.868,1028 11.744,1029 0.995,1030 14.33,1031 2.305,1032 8.753,1033 10.912,1034 4.752,1035 16.868,1036 8.54,1037 13.143,1038 0.795,1039 16.089,1040 2.275,1041 10.028,1042 12.564,1043 6.828,1044 19.285,1045 9.781,1046 3.098,1047 0.447,1048 17.863,1049 1.861,1050 10.925,1051 13.835,1052 6.248,1053 21.452,1054 10.652,1055 2.968,1056 10.389,1057 19.65,1058 0.692,1059 12.098,1060 15.393,1061 8.226,1062 23.805,1063 11.794,1064 2.681,1065 9.355,1066 21.449,1067 4.503,1068 13.1,1069 16.776,1070 7.714,1071 26.055,1072 12.769,1073 2.406,1074 7.691,1075 23.257,1076 3.931,1077 14.23,1078 18.293,1079 9.634,1080 28.386,1081 13.87,1082 2.376,1083 6.899,1084 25.074,1085 3.307,1086 15.286,1087 19.732,1088 9.16,1089 30.676,1090 14.898,1091 2.216,1092 6.805,1093 26.898,1094 3.027,1095 16.4,1096 21.234,1097 11.046,1098 33.001,1099 15.984,1100 2.138,1101 6.59,1102 28.728,1103 2.992,1104 17.483,1105 22.701,1106 10.594,1107 35.31,1108 17.039,1109 18975,1110 30654,1111 25.948,1112 41.523,1113 57.428,1114 60.619,1115 57.485,1116 56.036,1117 56.097,1118 71.371,1119 13.516,1120 159.883,1121 54.006,1122 5.559,1123 6.06,1124 6.097,1125 5.18,1126 5.098,1127 7.503,1128 4.069,1129 17.366,1130 5.018,1131 14.362,1132 1.511,1133 1.595,1134 1.513,1135 1.475,1136 1.476,1137 1.878,1138 0.356,1139 4.207,1140 1.421,1141 4.089,1142 4.113,1143 4.055,1144 4.014,1145 7.429,1146 4.021,1147 3.997,1148 4.028,1149 3.939,1150 3.907,1151 6.82,1152 3.909,1153 3.84,1154 3.894,1155 3.73,1156 3.691,1157 4.996,1158 3.691,1159 3.586,1160 3.629,1161 3.515,1162 3.478,1163 4.845,1164 3.48,1165 3.539,1166 3.582,1167 3.452,1168 3.338,1169 4.575,1170 3.359,1171 3.428,1172 3.474,1173 3.309,1174 3.237,1175 4.352,1176 3.248,1177 3.2,1178 3.258,1179 3.11,1180 3.048,1181 4.243,1182 3.053,1183 3.111,1184 3.206,1185 2.946,1186 2.941,1187 4.139,1188 2.911,1189 0.12,1190 0.107,1191 0.172,1192 0.107,1193 0.082,1194 4.559,1195 0.119,1196 4.06,1197 0.054,1198 6.547,1199 0.273,1200 4.073,1201 0.079,1202 3.098,1203 4.503,1204 2.035,1205 10.389,1206 3.018,1207 2.039,1208 2.02,1209 2.111,1210 2.128,1211 1.478,1212 2.121,1213 1.96,1214 1.932,1215 2.098,1216 2.083,1217 1.229,1218 2.09,1219 1.811,1220 1.76,1221 1.968,1222 1.989,1223 1.154,1224 1.984,1225 1.567,1226 1.528,1227 1.752,1228 1.735,1229 1.006,1230 1.739,1231 1.479,1232 1.429,1233 1.703,1234 1.68,1235 0.825,1236 1.686,1237 1.382,1238 1.337,1239 1.598,1240 1.6,1241 0.808,1242 1.606,1243 1.175,1244 1.117,1245 1.513,1246 1.376,1247 0.776,1248 1.429,1249 1.153,1250 1.064,1251 1.43,1252 1.367,1253 0.633,1254 1.386,1255 4.344,1257 5.666,1259 7.185,1261 8.795,1263 10.454,1265 1.945,1271 6.876,1272 2.894,1273 11.565,1275 0.626,1276 2.441,1278 9.354,1279 2.205,1280 39.552,1281 93.417,1282 232.664,1283 311.244,1284 336.405,1285 336.405,1286 336.405,1287 56.359,1288 8.497,1289 87.48,1290 87.48,1291 30,1292 12.707,1293 4.322,1294 3.644,1295 50.499,1296 189,1297 154,1298 0.128,1299 239.761,1300 422.49,1301 576.777,1302 75588,1304 23.493,1305 0.691,1306 0.569,1307 23.493,1308 19.342,1309 16.568,1310 0.436,1311 0.31,1312 11.643,1313 15.961,1314 11.368,1315 9.358,1316 16.568,1317 11.794,1318 15.019,1319 0.283,1320 0.172,1321 15.019,1322 9.11,1323 12.563,1324 0.182,1325 0.096,1326 12.563,1327 6.611,1328 10.542,1329 0.116,1330 0.052,1331 10.542,1332 4.777,1333 9.119,1334 0.075,1335 0.03,1336 9.119,1337 3.573,1338 0.21,1339 103.584,1340 0.196,1341 32.298,1342 0.325,1343 182,1344 512.475,1345 198.183,1346 493.689,1347 675.12,1348 464,1349 213,1350 493.137,1351 229.739,1352 499.501,1353 727.91,1354 470,1355 6.6} {0 CHEMBL239168,1 1.565,2 14.939,3 4.288,4 18.383,5 123.792,6 7.37,7 0.459,8 4.216,9 4.328,10 3.779,11 3.749,12 5.269,13 3.734,14 4.797,15 4.966,16 4.151,17 4.156,18 5.829,19 4.123,20 5.085,21 5.29,22 4.222,23 4.319,24 6.117,25 4.251,26 5.137,27 5.377,28 4.078,29 4.296,30 6.078,31 4.178,32 5.096,33 5.356,34 3.982,35 4.204,36 5.99,37 4.083,38 5.004,39 5.249,40 3.896,41 4.094,42 5.973,43 3.991,44 4.921,45 5.166,46 3.839,47 4.029,48 5.956,49 3.923,50 4.854,51 5.095,52 3.772,53 4.022,54 5.685,55 3.905,56 0.033,57 0.937,58 12.656,59 5.905,60 6.244,61 7.485,62 0.269,63 1.55,64 25.366,65 9.875,66 27.026,67 12.945,68 0.633,69 1.968,70 36.249,71 13.004,72 61.941,73 17.285,74 0.589,75 1.992,76 39.597,77 14.933,78 66.401,79 20.197,80 0.51,81 1.897,82 38.961,83 14.021,84 58.4,85 19.326,86 0.54,87 1.85,88 35.802,89 12.411,90 70.354,91 16.18,92 0.716,93 1.639,94 32.828,95 10.861,96 92.498,97 14.786,98 0.37,99 1.43,100 29.538,101 10.754,102 36.434,103 14.879,104 10,105 52,106 0.252,107 0.594,108 0.801,109 0.867,110 0.867,111 0.867,112 3.531,113 0.934,114 -4.22,115 -4.16,116 -3.93,119 42.6,120 1,121 3,122 1,125 5,140 7,141 2,142 4,144 2,156 1,169 9,172 9,174 1,176 1,178 11,181 2,182 6,184 1,186 2,189 9,192 1,193 6,197 1,199 8,203 8,208 1,211 4,215 7,220 2,222 1,225 1,226 7,233 4,237 3,240 1,244 6,248 1,249 4,256 8,259 1871,260 22.48,261 22.48,262 22.48,263 22.48,264 22.48,265 20.237,266 27.097,267 13.206,268 22.982,269 18.297,270 18.297,271 18.297,272 18.297,273 18.297,274 14.829,275 31.366,276 6.332,277 19.119,278 4.366,279 2.238,280 0.949,281 0.537,282 0.537,283 0.537,284 4.243,288 1,289 1,290 1097,291 3.082,295 487.854,299 325.379,302 2.32,303 35.589,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 72,315 493,316 4.516,317 3.657,318 6.517,319 4.026,320 3.054,321 4.458,322 2.03,323 10.248,324 2.968,325 4.4,326 3.27,327 6.337,328 4.015,329 3.052,330 4.073,331 0.892,332 9.743,333 2.936,334 3.865,335 3.185,336 5.868,337 3.659,338 2.693,339 3.18,340 0.86,341 8.171,342 2.603,343 3.718,344 2.892,345 5.459,346 3.457,347 2.51,348 3.17,349 0.8,350 7.23,351 2.376,352 3.621,353 2.787,354 5.322,355 3.289,356 2.341,357 2.685,358 0.141,359 6.717,360 2.219,361 3.443,362 2.604,363 5.111,364 3.145,365 2.171,366 2.632,368 6.275,369 2.103,370 3.298,371 2.369,372 4.952,373 2.993,374 2.01,375 2.593,377 5.753,378 1.95,379 3.175,380 2.152,381 4.813,382 2.845,383 1.887,384 2.286,386 5.292,387 1.8,388 3.012,389 2.08,390 4.603,391 2.652,392 1.71,393 2.217,395 4.845,396 1.601,397 2.987,398 1.683,399 4.196,400 2.512,401 1.524,402 2.093,404 3.817,405 1.504,406 2.492,407 1.588,408 3.813,409 2.168,410 1.238,411 1.49,413 2.836,414 1.14,415 2.196,416 1.457,417 3.523,418 1.984,419 1.057,420 1.164,422 2.66,423 0.983,424 2.112,425 1.174,426 3.414,427 1.953,428 1,429 1.059,431 2.275,432 0.934,433 2,434 1.077,435 3.312,436 1.826,437 0.861,438 1,440 1.993,441 0.826,442 1.507,443 0.962,444 3.028,445 1.259,446 0.315,447 0.351,449 0.783,450 0.293,451 15.486,452 0.469,453 0.797,454 0.024,455 40.75,456 1.235,457 19,458 0.576,459 21.75,460 0.659,461 30.633,462 0.928,463 36.114,464 0.592,465 29.783,466 0.903,467 7.841,468 0.238,469 8.206,470 0.249,471 0.072,473 0.349,477 1,479 0.701,480 1.198,481 0.759,482 1.133,483 0.537,484 0.989,485 0.909,486 1.079,487 0.88,488 1.024,489 0.57,490 0.956,491 0.998,492 0.984,493 1.043,494 0.997,495 0.884,496 1.016,497 0.802,498 1.042,499 0.988,500 1.102,501 0.773,502 1.09,503 0.848,504 0.958,505 0.913,506 0.984,507 0.805,508 0.971,509 1.365,510 1.23,511 1.144,512 1.047,513 1.493,514 1.05,515 1.085,516 0.935,517 1.12,518 0.95,519 1.065,520 1.019,521 0.806,522 0.862,523 1.013,524 1.021,525 0.609,526 1.053,527 7,528 0.165,529 3.556,530 1.813,531 2.107,532 0.84,533 0.705,534 0.389,535 0.237,536 0.207,537 19159,538 49734,539 2.15,540 45.9,541 3,542 17,545 1,546 3,547 4,550 1.744,551 2.041,552 3.818,553 -0.382,555 1,559 95.448,560 1.565,561 3.693,562 4.981,563 5.394,564 5.394,565 5.394,566 3.222,567 4.802,568 5.02,569 4.038,570 2132.16,571 8.741,572 34280.9,574 1,577 361.775,578 1.301,579 4.989,580 0.189,581 0.007,582 0.068,583 0.034,584 0.048,585 0.021,586 0.02,587 0.011,588 0.007,589 0.007,590 0.413,591 0.33,592 0.88,593 0.467,594 179.984,595 -0.022,596 -0.122,597 0.063,598 -0.054,599 -0.01,600 0.008,601 -0.041,602 -0.072,603 0.028,604 -0.015,605 0.049,606 0.014,607 -0.012,608 0.014,609 -0.084,610 -0.018,611 0.001,612 -0.054,613 0.073,614 -0.065,615 -0.019,616 -0.095,617 0.044,618 -0.079,619 0.018,620 -0.033,621 0.076,622 0.002,623 0.011,624 0.039,625 -0.154,626 -0.071,627 -0.111,628 -0.058,629 -0.164,630 -0.071,631 0.006,632 0.119,633 -0.107,634 0.009,635 0.043,636 -0.057,637 -0.052,638 -0.024,639 -0.062,640 -0.046,641 -0.04,642 -0.056,643 1.93,644 6.543,645 0.788,646 37.646,647 1.005,648 1.129,649 2.99,650 8.942,651 0.659,652 3.638,653 3.97,654 4.234,655 4.5,656 4.779,657 4.796,658 4.875,659 4.997,660 5.069,661 5.056,662 8.807,663 0.63,664 449.57,665 3.638,666 5.187,667 6.038,668 6.915,669 7.779,670 8.657,671 9.527,672 10.406,673 11.278,674 12.157,675 4.9,678 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 61,716 18,717 2,718 37,720 65,721 26,722 15,723 7,724 5,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,762 1,764 28,765 7,766 1,767 7,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 33,833 8,834 1,835 2,837 1,838 1,846 1,847 4.9,850 1,852 2,854 16.167,855 11.21,856 7.111,857 3.852,858 3.451,859 1.409,860 1,861 6.477,862 11.885,863 3.861,864 4.454,865 5.006,866 5.578,867 6.153,868 6.372,869 6.632,870 6.93,871 7.155,872 6.893,873 0.9,874 53,875 12.305,877 5.353,878 7.737,879 23.744,881 20.09,883 2.237,884 73.833,887 1,888 317.82,889 135.993,890 37.921,892 47.145,893 14.96,895 135.993,896 364.964,897 52.881,898 8.825,899 41.116,900 66.334,901 46.635,902 58.148,903 14.96,904 317.82,906 317.82,907 173.914,908 62.105,911 285.695,912 94.229,915 57.967,916 99.162,917 16.786,919 332.78,920 85.065,921 135.993,924 317.82,925 60.834,926 78.283,927 18.011,928 78.89,929 317.82,930 100.025,931 135.993,933 0.585,934 0.338,935 0.183,936 0.108,937 26,938 11,939 0.092,940 6,941 2,942 1.154,943 4.597,944 300.156,945 0.154,946 26,947 160.465,951 22.121,952 9.662,953 5.126,954 1.99,955 100.025,956 13.164,957 4.566,961 3.213,963 18.011,964 553.838,965 46.5,970 11.554,974 -0.203,975 61.287,976 68.86,977 0.264,978 0.623,979 0.84,980 0.909,981 0.909,982 0.909,983 5.113,984 1.887,985 6.019,986 5.753,987 4.654,988 5.142,989 2.496,990 6.808,991 4.571,992 6.305,993 1.71,994 7.562,995 5.292,996 4.205,997 4.987,998 1.668,999 7.627,1000 4.092,1001 7.608,1002 1.524,1003 9.199,1004 4.845,1005 6.232,1006 7.328,1007 3.324,1008 10.71,1009 6.077,1010 8.941,1011 1.238,1012 10.89,1013 3.817,1014 6.567,1015 7.995,1016 3.213,1017 12.344,1018 6.38,1019 10.307,1020 1.057,1021 12.618,1022 2.836,1023 8.066,1024 9.845,1025 4.506,1026 14.938,1027 7.843,1028 11.694,1029 1,1030 14.37,1031 2.66,1032 8.783,1033 10.917,1034 4.752,1035 16.937,1036 8.528,1037 13.101,1038 0.861,1039 16.141,1040 2.275,1041 10.055,1042 12.56,1043 5.816,1044 19.352,1045 9.768,1046 3.054,1047 0.315,1048 17.926,1049 1.993,1050 10.968,1051 13.839,1052 6.248,1053 21.518,1054 10.647,1055 3.052,1056 10.248,1057 19.724,1058 0.783,1059 12.14,1060 15.389,1061 7.175,1062 23.865,1063 11.788,1064 2.693,1065 9.743,1066 21.531,1067 4.458,1068 13.151,1069 16.769,1070 7.714,1071 26.108,1072 12.766,1073 2.51,1074 8.171,1075 23.347,1076 4.073,1077 14.281,1078 18.278,1079 8.557,1080 28.429,1081 13.866,1082 2.341,1083 7.23,1084 25.169,1085 3.18,1086 15.342,1087 19.708,1088 9.16,1089 30.707,1090 14.893,1091 2.171,1092 6.717,1093 26.998,1094 3.17,1095 16.456,1096 21.199,1097 9.952,1098 33.02,1099 15.976,1100 2.01,1101 6.275,1102 28.831,1103 2.685,1104 17.54,1105 22.655,1106 10.594,1107 35.315,1108 17.028,1109 17552,1110 28487,1111 25.255,1112 40.216,1113 55.123,1114 57.048,1115 56.216,1116 55.011,1117 55.05,1118 69.135,1119 9.447,1120 157.764,1121 52.656,1122 5.516,1123 5.657,1124 6.097,1125 5.134,1126 5.054,1127 7.458,1128 3.634,1129 17.078,1130 4.968,1131 13.899,1132 1.49,1133 1.542,1134 1.519,1135 1.487,1136 1.488,1137 1.869,1138 0.255,1139 4.264,1140 1.423,1141 4.08,1142 4.106,1143 4.04,1144 4.001,1145 8.201,1146 4.007,1147 4.002,1148 4.031,1149 3.958,1150 3.906,1151 7.429,1152 3.912,1153 3.841,1154 3.895,1155 3.731,1156 3.691,1157 5.016,1158 3.692,1159 3.568,1160 3.612,1161 3.481,1162 3.431,1163 4.79,1164 3.428,1165 3.521,1166 3.563,1167 3.436,1168 3.333,1169 4.58,1170 3.355,1171 3.413,1172 3.466,1173 3.275,1174 3.228,1175 4.347,1176 3.236,1177 3.128,1178 3.206,1179 3.009,1180 2.966,1181 4.238,1182 2.963,1183 3.111,1184 3.188,1185 2.898,1186 2.941,1187 4.153,1188 2.91,1189 0.122,1190 0.099,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.657,1197 0.055,1198 6.517,1199 0.277,1200 4.026,1201 0.08,1202 3.054,1203 4.458,1204 2.03,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.11,1210 2.125,1211 1.478,1212 2.121,1213 1.955,1214 1.928,1215 2.095,1216 2.083,1217 1.222,1218 2.086,1219 1.809,1220 1.759,1221 1.95,1222 1.989,1223 1.147,1224 1.981,1225 1.54,1226 1.496,1227 1.753,1228 1.732,1229 1.004,1230 1.737,1231 1.47,1232 1.421,1233 1.704,1234 1.665,1235 0.825,1236 1.675,1237 1.374,1238 1.327,1239 1.586,1240 1.59,1241 0.807,1242 1.597,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.775,1248 1.429,1249 1.118,1250 1.054,1251 1.424,1252 1.325,1253 0.626,1254 1.352,1255 4.317,1257 5.645,1259 7.169,1261 8.786,1263 10.449,1265 1.989,1267 14.543,1271 6.045,1272 2.766,1273 11.384,1275 0.419,1276 2.404,1280 38.44,1281 95.448,1282 225.279,1283 303.859,1284 329.02,1285 329.02,1286 329.02,1287 61.007,1288 8.435,1289 63.69,1290 63.69,1291 30,1292 12.695,1293 4.248,1294 3.392,1295 48.344,1296 181,1297 151,1298 0.129,1299 230.428,1300 405.54,1301 554.003,1302 70337,1303 1.6,1304 22.786,1305 0.69,1306 0.569,1307 21.916,1308 18.773,1309 16.047,1310 0.434,1311 0.311,1312 11.346,1313 15.372,1314 11.105,1315 9.114,1316 15.636,1317 11.516,1318 14.734,1319 0.283,1320 0.171,1321 14.204,1322 8.89,1323 12.335,1324 0.181,1325 0.095,1326 11.863,1327 6.493,1328 10.322,1329 0.116,1330 0.052,1331 10.025,1332 4.667,1333 8.963,1334 0.076,1335 0.03,1336 8.573,1337 3.506,1338 0.212,1339 100.97,1340 0.199,1341 31.523,1342 0.329,1343 178,1344 554.941,1345 197.32,1346 501.649,1347 680.36,1348 472,1349 209,1350 494.062,1351 228.565,1352 490.804,1353 721.21,1354 463,1355 8.5} {0 CHEMBL241463,1 1.565,2 14.97,3 4.288,4 18.383,5 123.792,6 7.37,7 0.459,8 4.216,9 4.328,10 3.779,11 3.749,12 5.269,13 3.734,14 4.797,15 4.966,16 4.151,17 4.156,18 5.827,19 4.123,20 5.086,21 5.291,22 4.23,23 4.32,24 6.144,25 4.249,26 5.131,27 5.373,28 4.093,29 4.296,30 6.044,31 4.18,32 5.104,33 5.362,34 3.932,35 4.204,36 6.008,37 4.08,38 4.985,39 5.237,40 3.891,41 4.097,42 5.966,43 3.978,44 4.919,45 5.165,46 3.823,47 4.028,48 5.837,49 3.927,50 4.87,51 5.105,52 3.789,53 4.021,54 5.789,55 3.911,56 0.033,57 0.937,58 12.656,59 5.905,60 6.244,61 7.485,62 0.269,63 1.55,64 25.366,65 9.875,66 26.589,67 12.945,68 0.756,69 1.951,70 36.394,71 12.996,72 70.367,73 17.384,74 0.453,75 1.984,76 38.997,77 14.892,78 50.473,79 20.438,80 0.57,81 1.932,82 39.711,83 14.085,84 71.256,85 18.858,86 0.517,87 1.673,88 34.553,89 12.298,90 79.524,91 17.051,92 0.534,93 1.644,94 32.609,95 10.889,96 61.436,97 14.601,98 0.526,99 1.548,100 30.541,101 10.805,102 52.944,103 14.45,104 10,105 52,106 0.252,107 0.594,108 0.801,109 0.867,110 0.867,111 0.867,112 3.531,113 0.934,114 -4.22,115 -4.16,116 -3.93,119 42.6,120 1,121 3,122 1,125 5,140 7,141 2,142 4,144 2,156 1,169 10,172 8,174 1,176 1,178 12,181 2,182 7,184 1,186 1,189 8,192 1,193 6,197 2,199 9,203 7,208 1,211 2,215 9,220 2,222 1,225 1,226 6,233 4,237 3,240 1,244 6,248 1,249 5,256 8,259 1870,260 22.48,261 22.48,262 22.48,263 22.48,264 22.48,265 20.237,266 27.206,267 13.216,268 22.976,269 18.303,270 18.303,271 18.303,272 18.303,273 18.303,274 14.832,275 31.261,276 6.334,277 19.122,278 4.366,279 2.238,280 0.949,281 0.537,282 0.537,283 0.537,284 4.243,288 1,289 1,290 1099,291 3.082,295 488.31,299 325.353,302 2.342,303 35.019,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 72,315 494,316 4.516,317 3.671,318 6.517,319 4.036,320 3.083,321 4.458,322 2.03,323 10.248,324 2.968,325 4.429,326 3.286,327 6.499,328 4.026,329 3.054,330 4.104,331 0.892,332 10.168,333 2.938,334 3.764,335 3.185,336 5.599,337 3.652,338 2.684,339 3.17,340 0.86,341 7.72,342 2.605,343 3.716,344 2.904,345 5.337,346 3.367,347 2.405,348 2.992,349 0.8,350 6.919,351 2.314,352 3.621,353 2.669,354 5.305,355 3.288,356 2.335,357 2.794,358 0.141,359 6.707,360 2.22,361 3.474,362 2.59,363 5.221,364 3.213,365 2.247,366 2.633,368 6.403,369 2.151,370 3.296,371 2.361,372 4.947,373 2.928,374 1.962,375 2.575,377 5.787,378 1.888,379 3.184,380 2.177,381 4.813,382 2.84,383 1.88,384 2.382,386 5.291,387 1.796,388 3.075,389 2.099,390 4.766,391 2.765,392 1.792,393 2.219,395 5.111,396 1.719,397 2.989,398 1.85,399 4.196,400 2.512,401 1.524,402 2.102,404 3.817,405 1.504,406 2.491,407 1.597,408 3.807,409 2.161,410 1.232,411 1.488,413 2.839,414 1.135,415 2.201,416 1.461,417 3.525,418 1.984,419 1.107,420 1.175,422 2.695,423 0.983,424 2.127,425 1.077,426 3.414,427 1.965,428 1,429 1.074,431 2.275,432 0.938,433 2,434 1.016,435 3.313,436 1.833,437 0.865,438 1,440 1.999,441 0.833,442 1.396,443 0.963,444 3.015,445 1.218,446 0.263,447 0.286,449 0.66,450 0.249,451 15.486,452 0.469,453 0.797,454 0.024,455 40.75,456 1.235,457 19,458 0.576,459 21.75,460 0.659,461 30.57,462 0.926,463 36.114,464 0.592,465 29.777,466 0.902,467 7.841,468 0.238,469 8.206,470 0.249,471 0.072,473 0.349,477 1,479 0.701,480 1.198,481 0.759,482 1.133,483 0.537,484 0.989,485 0.909,486 1.079,487 0.88,488 1.024,489 0.573,490 0.956,491 0.907,492 0.953,493 1.03,494 0.994,495 0.838,496 1.022,497 0.697,498 1.012,499 0.91,500 1.105,501 0.578,502 1.069,503 1.129,504 1.013,505 1.066,506 0.981,507 1.169,508 1.005,509 0.802,510 1.035,511 0.948,512 1.044,513 0.656,514 1.032,515 1.245,516 1.022,517 1.142,518 0.954,519 1.265,520 1.007,521 1.104,522 0.933,523 1.144,524 1.02,525 1.096,526 1.077,527 7,528 0.182,529 3.333,530 2.188,531 1.827,532 0.931,533 0.686,534 0.345,535 0.258,536 0.207,537 19231,538 50070,539 2.15,540 45.9,541 3,542 17,545 1,546 3,547 4,550 1.744,551 2.041,552 3.815,553 -0.382,555 1,559 95.448,560 1.565,561 3.693,562 4.981,563 5.394,564 5.394,565 5.394,566 3.222,567 4.863,568 5.02,569 4.042,570 2134.05,571 8.739,572 34414.7,574 1,577 361.775,578 1.301,579 4.989,580 0.189,581 0.008,582 0.064,583 0.041,584 0.041,585 0.024,586 0.019,587 0.01,588 0.008,589 0.007,590 0.412,591 0.33,592 0.88,593 0.467,594 180.125,595 -0.022,596 -0.122,597 0.063,598 -0.054,599 -0.01,600 0.008,601 -0.041,602 -0.072,603 0.028,604 -0.015,605 0.046,606 0.014,607 0.082,608 0.045,609 -0.071,610 -0.015,611 0.049,612 -0.06,613 0.077,614 -0.105,615 0.046,616 -0.1,617 0.086,618 -0.051,619 -0.109,620 0.019,621 -0.056,622 0.009,623 -0.115,624 -0.006,625 0.062,626 -0.113,627 0.035,628 -0.063,629 0.144,630 -0.03,631 -0.157,632 0.031,633 -0.129,634 0.004,635 -0.162,636 -0.044,637 -0.084,638 0.087,639 -0.154,640 -0.037,641 -0.121,642 -0.098,643 2.073,644 6.369,645 0.788,646 37.838,647 1.005,648 1.129,649 2.99,650 8.942,651 0.659,652 3.638,653 3.97,654 4.234,655 4.511,656 4.762,657 4.812,658 4.852,659 4.99,660 5.063,661 5.088,662 8.849,663 0.63,664 449.57,665 3.638,666 5.187,667 6.038,668 6.917,669 7.779,670 8.661,671 9.528,672 10.41,673 11.279,674 12.162,675 4.9,678 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 61,716 18,717 2,718 37,720 65,721 26,722 15,723 7,724 5,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,762 1,764 28,765 7,766 1,767 7,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 33,833 8,834 1,835 2,837 1,838 1,846 1,847 4.9,850 1,852 2,854 16.167,855 11.21,856 7.111,857 3.852,858 3.43,859 1.407,860 1,861 6.477,862 11.865,863 3.861,864 4.454,865 5.006,866 5.587,867 6.141,868 6.386,869 6.609,870 6.941,871 7.148,872 6.921,873 0.9,874 53,875 12.304,877 5.355,878 7.737,879 23.744,881 20.09,883 2.237,884 73.833,887 1,888 317.82,889 135.993,890 37.921,892 47.145,893 14.96,895 135.993,896 364.964,897 52.881,898 8.825,899 41.116,900 66.334,901 46.635,902 58.148,903 14.96,904 317.82,906 317.82,907 173.914,908 62.105,911 285.695,912 94.229,915 57.967,916 99.162,917 16.786,919 332.78,920 85.065,921 135.993,924 317.82,925 60.834,926 78.283,927 18.011,928 78.89,929 317.82,930 100.025,931 135.993,933 0.585,934 0.337,935 0.186,936 0.105,937 26,938 11,939 0.092,940 6,941 2,942 1.154,943 4.599,944 299.909,945 0.154,946 26,947 160.465,951 22.121,952 9.662,953 5.126,954 1.999,955 100.025,956 13.449,957 4.568,961 2.952,963 18.011,964 553.838,965 46.5,970 11.552,974 -0.246,975 61.287,976 68.86,977 0.264,978 0.623,979 0.84,980 0.909,981 0.909,982 0.909,983 5.113,984 1.88,985 6.019,986 5.787,987 4.654,988 5.142,989 2.496,990 6.81,991 4.571,992 6.305,993 1.792,994 7.562,995 5.291,996 4.205,997 4.987,998 1.668,999 7.636,1000 4.092,1001 7.608,1002 1.524,1003 9.199,1004 5.111,1005 6.232,1006 7.328,1007 3.324,1008 10.727,1009 6.076,1010 8.941,1011 1.232,1012 10.892,1013 3.817,1014 6.567,1015 7.995,1016 3.213,1017 12.381,1018 6.375,1019 10.307,1020 1.107,1021 12.622,1022 2.839,1023 8.067,1024 9.846,1025 4.506,1026 14.988,1027 7.839,1028 11.695,1029 1,1030 14.378,1031 2.695,1032 8.79,1033 10.923,1034 4.752,1035 17.015,1036 8.522,1037 13.103,1038 0.865,1039 16.154,1040 2.275,1041 10.064,1042 12.567,1043 5.816,1044 19.446,1045 9.763,1046 3.083,1047 0.263,1048 17.947,1049 1.999,1050 10.985,1051 13.85,1052 6.248,1053 21.64,1054 10.642,1055 3.054,1056 10.248,1057 19.753,1058 0.66,1059 12.161,1060 15.402,1061 7.175,1062 24.005,1063 11.785,1064 2.684,1065 10.168,1066 21.571,1067 4.458,1068 13.181,1069 16.785,1070 7.714,1071 26.272,1072 12.763,1073 2.405,1074 7.72,1075 23.397,1076 4.104,1077 14.316,1078 18.295,1079 8.557,1080 28.611,1081 13.864,1082 2.335,1083 6.919,1084 25.232,1085 3.17,1086 15.385,1087 19.728,1088 9.16,1089 30.909,1090 14.892,1091 2.247,1092 6.707,1093 27.073,1094 2.992,1095 16.505,1096 21.22,1097 9.952,1098 33.238,1099 15.977,1100 1.962,1101 6.403,1102 28.919,1103 2.794,1104 17.598,1105 22.677,1106 10.594,1107 35.55,1108 17.029,1109 17620,1110 28657,1111 25.255,1112 40.216,1113 54.859,1114 56.93,1115 56.225,1116 54.877,1117 54.865,1118 68.904,1119 9.447,1120 157.279,1121 52.482,1122 5.516,1123 5.671,1124 6.097,1125 5.145,1126 5.083,1127 7.458,1128 3.634,1129 17.168,1130 4.968,1131 13.945,1132 1.483,1133 1.539,1134 1.52,1135 1.483,1136 1.483,1137 1.862,1138 0.255,1139 4.251,1140 1.418,1141 4.08,1142 4.106,1143 4.04,1144 4.001,1145 8.201,1146 4.007,1147 4.002,1148 4.03,1149 3.958,1150 3.906,1151 7.429,1152 3.912,1153 3.842,1154 3.896,1155 3.733,1156 3.69,1157 5.016,1158 3.693,1159 3.566,1160 3.611,1161 3.471,1162 3.431,1163 4.766,1164 3.428,1165 3.518,1166 3.561,1167 3.432,1168 3.334,1169 4.58,1170 3.353,1171 3.412,1172 3.465,1173 3.279,1174 3.228,1175 4.358,1176 3.236,1177 3.137,1178 3.206,1179 3.035,1180 2.965,1181 4.262,1182 2.965,1183 3.111,1184 3.194,1185 2.924,1186 2.941,1187 4.179,1188 2.91,1189 0.122,1190 0.099,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.671,1197 0.055,1198 6.517,1199 0.277,1200 4.036,1201 0.08,1202 3.083,1203 4.458,1204 2.03,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.111,1210 2.125,1211 1.478,1212 2.121,1213 1.956,1214 1.929,1215 2.097,1216 2.083,1217 1.222,1218 2.087,1219 1.808,1220 1.759,1221 1.949,1222 1.99,1223 1.148,1224 1.98,1225 1.54,1226 1.496,1227 1.753,1228 1.732,1229 1.002,1230 1.737,1231 1.471,1232 1.422,1233 1.704,1234 1.664,1235 0.825,1236 1.676,1237 1.376,1238 1.328,1239 1.595,1240 1.59,1241 0.807,1242 1.6,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.776,1248 1.429,1249 1.117,1250 1.052,1251 1.424,1252 1.327,1253 0.621,1254 1.351,1255 4.317,1257 5.645,1259 7.169,1261 8.787,1263 10.453,1265 1.991,1267 14.369,1271 6.273,1272 2.706,1273 11.304,1275 0.493,1276 2.422,1280 38.44,1281 95.448,1282 225.279,1283 303.859,1284 329.02,1285 329.02,1286 329.02,1287 60.506,1288 8.435,1289 63.69,1290 63.69,1291 30,1292 12.699,1293 4.248,1294 3.392,1295 48.362,1296 182,1297 151,1298 0.128,1299 230.428,1300 405.54,1301 554.003,1302 70245,1303 1.6,1304 22.786,1305 0.69,1306 0.569,1307 21.916,1308 18.773,1309 16.047,1310 0.434,1311 0.311,1312 11.346,1313 15.377,1314 11.104,1315 9.118,1316 15.636,1317 11.516,1318 14.743,1319 0.284,1320 0.171,1321 14.204,1322 8.904,1323 12.255,1324 0.18,1325 0.095,1326 11.863,1327 6.453,1328 10.545,1329 0.117,1330 0.052,1331 10.025,1332 4.718,1333 8.707,1334 0.075,1335 0.03,1336 8.573,1337 3.463,1338 0.211,1339 100.97,1340 0.199,1341 31.542,1342 0.326,1343 178,1344 554.941,1345 197.32,1346 501.797,1347 680.46,1348 472,1349 209,1350 494.062,1351 229.091,1352 491.139,1353 722.53,1354 463,1355 9.4} {0 CHEMBL241499,1 1.565,2 15,3 4.288,4 18.383,5 123.792,6 7.37,7 0.459,8 4.216,9 4.328,10 3.779,11 3.749,12 5.269,13 3.734,14 4.797,15 4.966,16 4.151,17 4.156,18 5.827,19 4.123,20 5.086,21 5.291,22 4.226,23 4.32,24 6.142,25 4.25,26 5.13,27 5.372,28 4.066,29 4.297,30 6.025,31 4.177,32 5.094,33 5.354,34 3.958,35 4.205,36 6.004,37 4.076,38 4.987,39 5.239,40 3.825,41 4.097,42 5.865,43 3.971,44 4.908,45 5.158,46 3.784,47 4.03,48 5.765,49 3.916,50 4.862,51 5.1,52 3.784,53 4.022,54 5.743,55 3.907,56 0.033,57 0.937,58 12.656,59 5.905,60 6.244,61 7.485,62 0.269,63 1.55,64 25.366,65 9.875,66 26.646,67 12.945,68 0.691,69 1.979,70 36.322,71 12.985,72 69.555,73 17.369,74 0.417,75 1.955,76 38.987,77 14.907,78 48.065,79 20.354,80 0.573,81 1.826,82 38.864,83 14.011,84 65.642,85 19.471,86 0.463,87 1.682,88 34.766,89 12.316,90 60.25,91 16.825,92 0.484,93 1.547,94 31.975,95 10.833,96 53.336,97 14.987,98 0.477,99 1.494,100 30.076,101 10.77,102 45.309,103 14.707,104 10,105 52,106 0.252,107 0.594,108 0.796,109 0.862,110 0.867,111 0.867,112 3.531,113 0.934,114 -4.22,115 -4.16,116 -3.93,119 42.6,120 1,121 3,122 1,125 5,140 7,141 2,142 4,144 2,156 1,169 10,172 8,174 1,176 1,178 11,181 2,182 7,184 1,186 2,189 9,192 1,193 5,197 2,199 8,203 8,208 1,211 4,215 9,220 2,222 1,225 1,226 6,233 4,237 3,240 1,244 6,248 1,249 5,256 6,259 1926,260 22.48,261 22.48,262 22.48,263 22.48,264 22.48,265 20.245,266 28.448,267 13.182,268 22.979,269 18.286,270 18.286,271 18.286,272 18.286,273 18.286,274 14.83,275 31.252,276 6.319,277 19.111,278 4.366,279 2.238,280 0.982,281 0.57,282 0.537,283 0.537,284 4.243,288 1,289 1,290 1101,291 3.082,295 490.394,299 326.236,302 2.364,303 34.741,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 72,315 495,316 4.596,317 3.653,318 6.682,319 4.107,320 3.141,321 4.556,322 2.03,323 10.773,324 3.03,325 4.305,326 3.327,327 6.214,328 3.932,329 2.968,330 3.931,331 0.892,332 9.355,333 2.864,334 3.765,335 3.05,336 5.623,337 3.649,338 2.681,339 3.176,340 0.86,341 7.692,342 2.599,343 3.725,344 2.907,345 5.588,346 3.36,347 2.407,348 3.011,349 0.8,350 7.288,351 2.3,352 3.596,353 2.776,354 5.308,355 3.289,356 2.341,357 2.992,358 0.141,359 6.874,360 2.218,361 3.575,362 2.634,363 5.014,364 3.159,365 2.207,366 2.683,368 5.942,369 2.107,370 3.42,371 2.523,372 4.977,373 3.127,374 2.138,375 2.561,377 5.92,378 2.06,379 3.093,380 2.136,381 4.904,382 2.896,383 1.917,384 2.299,386 5.637,387 1.866,388 3.046,389 1.963,390 4.588,391 2.616,392 1.652,393 2.103,395 4.558,396 1.588,397 2.884,398 1.905,399 4.381,400 2.505,401 1.563,402 2.009,404 4.26,405 1.466,406 2.55,407 1.486,408 3.808,409 2.166,410 1.235,411 1.568,413 2.931,414 1.14,415 2.214,416 1.336,417 3.433,418 1.984,419 1,420 1.183,422 2.343,423 0.983,424 2.014,425 1.15,426 3.414,427 1.936,428 0.984,429 1,431 2.275,432 0.929,433 2,434 1.077,435 3.298,436 1.719,437 0.796,438 0.937,440 1.863,441 0.725,442 1.555,443 0.752,444 3.016,445 1.286,446 0.359,447 0.404,449 0.858,450 0.328,451 15.486,452 0.469,453 0.797,454 0.024,455 40.75,456 1.235,457 19,458 0.576,459 21.75,460 0.659,461 30.456,462 0.923,463 36.114,464 0.592,465 29.742,466 0.901,467 7.841,468 0.238,469 8.206,470 0.249,471 0.072,473 0.349,477 1,479 0.701,480 1.198,481 0.759,482 1.133,483 0.537,484 0.989,485 0.909,486 1.079,487 0.88,488 1.024,489 0.573,490 0.956,491 0.954,492 0.941,493 1.037,494 0.995,495 0.841,496 1.021,497 0.754,498 1.024,499 0.947,500 1.104,501 0.618,502 1.078,503 0.75,504 0.916,505 0.913,506 0.981,507 0.669,508 0.982,509 1.013,510 1.029,511 1.066,512 1.041,513 0.973,514 1.061,515 1.012,516 0.898,517 1.083,518 0.951,519 0.926,520 1.011,521 0.927,522 0.871,523 1.075,524 1.019,525 0.844,526 1.068,527 7,528 0.173,529 3.556,530 1.813,531 1.987,532 0.819,533 0.645,534 0.354,535 0.262,536 0.227,537 19367,538 51142,539 2.15,540 45.9,541 3,542 17,545 1,546 3,547 4,550 1.743,551 2.041,552 3.834,553 -0.382,555 1,559 95.448,560 1.565,561 3.693,562 4.949,563 5.361,564 5.394,565 5.394,566 3.242,567 4.779,568 5.02,569 4.056,570 2141.52,571 8.737,572 34651.3,574 1,577 361.775,578 1.301,579 4.989,580 0.189,581 0.007,582 0.068,583 0.034,584 0.045,585 0.021,586 0.019,587 0.011,588 0.008,589 0.008,590 0.411,591 0.33,592 0.88,593 0.467,594 180.357,595 -0.022,596 -0.122,597 0.063,598 -0.054,599 -0.01,600 0.008,601 -0.041,602 -0.072,603 0.028,604 -0.015,605 0.046,606 0.014,607 0.034,608 0.058,609 -0.077,610 -0.016,611 0.046,612 -0.059,613 0.02,614 -0.116,615 0.007,616 -0.099,617 0.046,618 -0.06,619 0.065,620 -0.026,621 0.068,622 0.004,623 0.07,624 0.031,625 -0.093,626 -0.067,627 -0.077,628 -0.058,629 -0.088,630 -0.064,631 -0.114,632 0.026,633 -0.099,634 0.003,635 -0.112,636 -0.036,637 -0.04,638 0.058,639 -0.105,640 -0.041,641 -0.072,642 -0.08,643 1.989,644 6.102,645 0.788,646 37.829,647 1.005,648 1.129,649 2.99,650 8.942,651 0.659,652 3.638,653 3.97,654 4.234,655 4.5,656 4.779,657 4.787,658 4.852,659 4.97,660 5.069,661 5.069,662 8.921,663 0.63,664 449.57,665 3.638,666 5.187,667 6.038,668 6.915,669 7.779,670 8.657,671 9.527,672 10.406,673 11.278,674 12.156,675 4.9,678 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 61,716 18,717 2,718 37,720 65,721 26,722 15,723 7,724 5,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,762 1,764 28,765 7,766 1,767 7,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 33,833 8,834 1,835 2,837 1,838 1,846 1,847 4.9,850 1,852 2,854 16.167,855 11.21,856 7.111,857 3.852,858 3.42,859 1.405,860 1,861 6.477,862 11.853,863 3.861,864 4.454,865 5.011,866 5.59,867 6.171,868 6.393,869 6.654,870 6.959,871 7.229,872 7.006,873 0.9,874 53,875 12.289,877 5.336,878 7.737,879 23.744,881 20.09,883 2.237,884 73.833,887 1,888 317.82,889 135.993,890 37.921,892 47.145,893 14.96,895 135.993,896 364.964,897 52.881,898 8.825,899 41.116,900 66.334,901 46.635,902 58.148,903 14.96,904 317.82,906 317.82,907 173.914,908 62.105,911 285.695,912 94.229,915 57.967,916 99.162,917 16.786,919 332.78,920 85.065,921 135.993,924 317.82,925 60.834,926 78.283,927 18.011,928 78.89,929 317.82,930 100.025,931 135.993,933 0.586,934 0.338,935 0.183,936 0.109,937 26,938 11,939 0.092,940 6,941 2,942 1.154,943 4.609,944 299.176,945 0.154,946 26,947 162.465,951 22.121,952 9.662,953 5.126,954 1.076,955 100.025,956 12.95,957 4.311,961 3.891,963 18.011,964 553.838,965 46.5,970 11.561,974 -0.102,975 61.287,976 68.86,977 0.264,978 0.623,979 0.834,980 0.904,981 0.909,982 0.909,983 5.113,984 1.917,985 6.019,986 5.92,987 4.654,988 5.142,989 2.496,990 6.808,991 4.571,992 6.305,993 1.652,994 7.562,995 5.637,996 4.205,997 4.987,998 1.668,999 7.636,1000 4.092,1001 7.608,1002 1.563,1003 9.199,1004 4.558,1005 6.232,1006 7.331,1007 3.324,1008 10.72,1009 6.076,1010 8.942,1011 1.235,1012 10.891,1013 4.26,1014 6.567,1015 8.006,1016 3.213,1017 12.38,1018 6.377,1019 10.308,1020 1,1021 12.62,1022 2.931,1023 8.066,1024 9.859,1025 4.506,1026 14.987,1027 7.84,1028 11.697,1029 0.984,1030 14.375,1031 2.343,1032 8.786,1033 10.949,1034 4.752,1035 17.027,1036 8.524,1037 13.105,1038 0.796,1039 16.151,1040 2.275,1041 10.059,1042 12.599,1043 5.816,1044 19.468,1045 9.766,1046 3.141,1047 0.359,1048 17.943,1049 1.863,1050 10.979,1051 13.901,1052 6.248,1053 21.684,1054 10.648,1055 2.968,1056 10.773,1057 19.75,1058 0.858,1059 12.155,1060 15.464,1061 7.175,1062 24.068,1063 11.793,1064 2.681,1065 9.355,1066 21.568,1067 4.556,1068 13.176,1069 16.871,1070 7.714,1071 26.364,1072 12.776,1073 2.407,1074 7.692,1075 23.397,1076 3.931,1077 14.314,1078 18.398,1079 8.557,1080 28.73,1081 13.881,1082 2.341,1083 7.288,1084 25.234,1085 3.176,1086 15.386,1087 19.856,1088 9.16,1089 31.063,1090 14.916,1091 2.207,1092 6.874,1093 27.079,1094 3.011,1095 16.511,1096 21.37,1097 9.952,1098 33.426,1099 16.007,1100 2.138,1101 5.942,1102 28.931,1103 2.992,1104 17.609,1105 22.854,1106 10.594,1107 35.776,1108 17.068,1109 17744,1110 29015,1111 25.255,1112 40.216,1113 55.118,1114 57.118,1115 56.217,1116 54.996,1117 55.037,1118 69.121,1119 9.447,1120 157.766,1121 52.642,1122 5.596,1123 5.653,1124 6.23,1125 5.215,1126 5.141,1127 7.556,1128 3.634,1129 17.925,1130 5.03,1131 14.036,1132 1.49,1133 1.544,1134 1.519,1135 1.486,1136 1.487,1137 1.868,1138 0.255,1139 4.264,1140 1.423,1141 4.086,1142 4.11,1143 4.056,1144 4.001,1145 8.201,1146 4.01,1147 3.997,1148 4.028,1149 3.94,1150 3.907,1151 7.429,1152 3.909,1153 3.84,1154 3.894,1155 3.73,1156 3.691,1157 4.966,1158 3.691,1159 3.567,1160 3.612,1161 3.471,1162 3.43,1163 4.845,1164 3.43,1165 3.52,1166 3.563,1167 3.435,1168 3.334,1169 4.58,1170 3.354,1171 3.414,1172 3.465,1173 3.287,1174 3.228,1175 4.353,1176 3.236,1177 3.139,1178 3.206,1179 3.051,1180 2.965,1181 4.241,1182 2.969,1183 3.111,1184 3.194,1185 2.909,1186 2.941,1187 4.097,1188 2.91,1189 0.124,1190 0.099,1191 0.181,1192 0.111,1193 0.085,1194 4.596,1195 0.123,1196 3.653,1197 0.055,1198 6.682,1199 0.291,1200 4.107,1201 0.082,1202 3.141,1203 4.556,1204 2.03,1205 10.773,1206 3.03,1207 2.027,1208 2.008,1209 2.109,1210 2.126,1211 1.478,1212 2.116,1213 1.96,1214 1.932,1215 2.087,1216 2.083,1217 1.217,1218 2.089,1219 1.811,1220 1.76,1221 1.968,1222 1.989,1223 1.154,1224 1.984,1225 1.538,1226 1.494,1227 1.749,1228 1.732,1229 1.006,1230 1.737,1231 1.469,1232 1.421,1233 1.694,1234 1.665,1235 0.825,1236 1.672,1237 1.377,1238 1.328,1239 1.598,1240 1.59,1241 0.8,1242 1.601,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.775,1248 1.429,1249 1.112,1250 1.049,1251 1.414,1252 1.326,1253 0.633,1254 1.347,1255 4.317,1257 5.645,1259 7.169,1261 8.786,1263 10.45,1265 1.855,1267 14.102,1271 6.805,1272 2.887,1273 11.453,1275 0.621,1276 2.422,1280 38.44,1281 95.448,1282 225.279,1283 301.859,1284 327.02,1285 329.02,1286 329.02,1287 59.115,1288 8.434,1289 63.69,1290 63.69,1291 30,1292 12.695,1293 4.248,1294 3.392,1295 48.38,1296 182,1297 144,1298 0.127,1299 230.428,1300 405.54,1301 554.003,1302 70138,1303 1.6,1304 22.786,1305 0.69,1306 0.569,1307 21.916,1308 18.773,1309 16.047,1310 0.434,1311 0.311,1312 11.346,1313 15.375,1314 11.104,1315 9.116,1316 15.636,1317 11.516,1318 14.731,1319 0.283,1320 0.171,1321 14.204,1322 8.899,1323 12.351,1324 0.182,1325 0.095,1326 11.863,1327 6.481,1328 10.287,1329 0.116,1330 0.052,1331 10.025,1332 4.67,1333 8.998,1334 0.076,1335 0.03,1336 8.573,1337 3.501,1338 0.21,1339 100.97,1340 0.199,1341 31.583,1342 0.323,1343 178,1344 554.941,1345 197.32,1346 501.699,1347 680.42,1348 472,1349 209,1350 494.062,1351 228.829,1352 490.915,1353 722,1354 463,1355 7.1} {0 CHEMBL241500,1 1.565,2 15,3 4.746,4 22.528,5 128.38,6 7.64,7 0.459,8 4.213,9 4.323,10 3.81,11 3.771,12 5.235,13 3.744,14 4.793,15 4.96,16 4.194,17 4.184,18 5.784,19 4.137,20 5.081,21 5.282,22 4.289,23 4.356,24 6.076,25 4.269,26 5.126,27 5.365,28 4.135,29 4.338,30 5.964,31 4.199,32 5.089,33 5.346,34 4.044,35 4.243,36 5.919,37 4.098,38 4.981,39 5.227,40 3.864,41 4.135,42 5.803,43 3.988,44 4.904,45 5.151,46 3.82,47 4.059,48 5.721,49 3.929,50 4.858,51 5.091,52 3.824,53 4.044,54 5.692,55 3.918,56 0.017,57 0.856,58 12.354,59 5.796,60 6.468,61 7.472,62 0.237,63 1.436,64 25.479,65 9.935,66 25.397,67 13.07,68 0.613,69 1.801,70 38.076,71 13.249,72 59.428,73 17.744,74 0.356,75 1.806,76 41.064,77 15.386,78 41.364,79 20.991,80 0.452,81 1.707,82 41.707,83 14.571,84 49.88,85 20.037,86 0.37,87 1.544,88 38.29,89 12.921,90 45.295,91 17.645,92 0.42,93 1.473,94 33.916,95 11.262,96 43.092,97 15.445,98 0.39,99 1.397,100 32.13,101 11.071,102 35.256,103 15.045,104 10,105 52,106 0.252,107 0.594,108 0.796,109 0.862,110 0.867,111 0.867,112 3.531,113 0.964,114 -4.32,115 -4.26,116 -4.02,119 42.6,120 1,121 3,122 1,125 5,140 7,141 2,142 4,144 2,156 1,169 10,172 8,174 1,176 1,178 12,181 2,182 8,184 1,186 2,189 11,192 1,193 5,197 2,199 9,203 9,208 1,211 6,215 9,220 2,222 1,225 1,226 6,233 4,237 4,240 1,244 6,248 1,249 5,256 6,259 1926,260 22.48,261 22.48,262 22.48,263 22.48,264 22.48,265 20.245,266 28.422,267 13.182,268 23.039,269 18.286,270 18.286,271 18.286,272 18.286,273 18.286,274 14.83,275 31.231,276 6.319,277 19.24,278 4.366,279 2.238,280 0.982,281 0.57,282 0.537,283 0.537,284 4.243,285 1,288 1,289 1,290 1101,291 3.082,295 490.394,299 326.236,302 2.364,303 27.954,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70.833,315 495,316 4.596,317 3.653,318 6.682,319 4.099,320 3.141,321 4.556,322 2.03,323 10.773,324 3,325 4.305,326 3.333,327 6.214,328 3.932,329 2.968,330 3.931,331 0.892,332 9.355,333 2.864,334 3.765,335 3.05,336 5.623,337 3.649,338 2.681,339 3.176,340 0.86,341 7.692,342 2.599,343 3.725,344 2.908,345 5.588,346 3.359,347 2.407,348 3.011,349 0.8,350 7.288,351 2.299,352 3.596,353 2.785,354 5.308,355 3.288,356 2.341,357 2.992,358 0.141,359 6.874,360 2.218,361 3.575,362 2.635,363 5.014,364 3.143,365 2.207,366 2.683,368 5.942,369 2.103,370 3.42,371 2.527,372 4.977,373 3.111,374 2.138,375 2.561,377 5.92,378 1.951,379 3.093,380 2.136,381 4.904,382 2.895,383 1.917,384 2.299,386 5.637,387 1.863,388 3.046,389 1.965,390 4.588,391 2.61,392 1.652,393 2.103,395 4.558,396 1.567,397 2.884,398 1.906,399 4.381,400 2.505,401 1.563,402 2.009,404 4.26,405 1.466,406 2.55,407 1.487,408 3.808,409 2.165,410 1.235,411 1.568,413 2.931,414 1.138,415 2.214,416 1.336,417 3.433,418 1.984,419 1,420 1.183,422 2.343,423 0.983,424 2.014,425 1.155,426 3.414,427 1.925,428 0.984,429 1,431 2.275,432 0.904,433 2,434 1.077,435 3.298,436 1.719,437 0.796,438 0.937,440 1.863,441 0.725,442 1.555,443 0.756,444 3.016,445 1.27,446 0.359,447 0.404,449 0.858,450 0.308,451 15.914,452 0.482,453 0.797,454 0.024,455 40.75,456 1.235,457 19,458 0.576,459 21.75,460 0.659,461 31.428,462 0.952,463 35.686,464 0.585,465 28.77,466 0.872,467 7.71,468 0.234,469 8.337,470 0.253,471 0.097,473 0.339,479 0.757,480 1.319,481 0.667,482 1.059,483 0.584,484 0.954,485 1.003,486 1.149,487 0.769,488 0.949,489 0.623,490 0.922,491 1.01,492 0.985,493 0.954,494 0.965,495 0.916,496 1.003,497 0.757,498 1.045,499 0.878,500 1.048,501 0.561,502 1.053,503 0.786,504 0.945,505 0.848,506 0.961,507 0.68,508 0.965,509 0.975,510 1.076,511 1.108,512 1.094,513 0.866,514 1.087,515 1.074,516 0.965,517 1.011,518 0.958,519 1.035,520 1.011,521 0.986,522 1.001,523 1.007,524 1.055,525 0.9,526 1.075,527 7,528 0.173,529 3.556,530 1.813,531 1.987,532 0.819,533 0.645,534 0.354,535 0.262,536 0.227,537 19367,538 51142,539 2.15,540 45.9,541 3,542 17,545 1,546 3,547 4,550 1.743,551 2.041,552 3.834,553 -0.382,559 95.448,560 1.565,561 3.693,562 4.949,563 5.361,564 5.394,565 5.394,566 3.242,567 4.779,568 5.02,569 4.056,570 2141.52,571 8.737,572 34651.3,577 361.775,578 1.301,579 4.989,580 0.189,581 0.007,582 0.068,583 0.034,584 0.045,585 0.021,586 0.019,587 0.011,588 0.008,589 0.008,590 0.411,591 0.17,592 0.75,593 0.467,594 180.357,595 -0.019,596 -0.146,597 0.044,598 -0.051,599 -0.008,600 0.007,601 -0.043,602 -0.042,603 0.032,604 0.018,605 0.064,606 0.025,607 0.035,608 0.065,609 -0.047,610 -0.003,611 0.049,612 -0.051,613 0.026,614 -0.091,615 0.025,616 -0.053,617 0.063,618 -0.042,619 0.041,620 -0.01,621 0.085,622 0.023,623 0.046,624 0.044,625 -0.085,626 -0.127,627 -0.106,628 -0.106,629 -0.074,630 -0.086,631 -0.123,632 0.032,633 -0.095,634 -0.009,635 -0.144,636 -0.042,637 -0.056,638 -0.015,639 -0.096,640 -0.085,641 -0.095,642 -0.094,643 1.756,644 4.572,645 0.788,646 37.829,647 1.002,648 1.122,649 3.091,650 9.551,651 0.674,652 3.638,653 3.97,654 4.234,655 4.5,656 4.779,657 4.787,658 4.852,659 4.97,660 5.069,661 5.069,662 8.921,663 0.637,664 466.02,665 3.638,666 5.187,667 6.038,668 6.915,669 7.779,670 8.657,671 9.527,672 10.406,673 11.278,674 12.156,675 4.9,678 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 61,716 18,717 2,718 37,720 65,721 26,722 15,723 7,724 5,730 5,731 7,732 1,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,764 28,765 6,766 1,767 7,768 1,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,824 1,827 33,833 8,834 1,835 2,837 1,838 1,846 1,847 4.9,850 1,852 2,854 16.167,855 11.21,856 7.111,857 3.852,858 3.42,859 1.405,860 0.998,861 6.723,862 11.853,863 3.861,864 4.454,865 5.011,866 5.59,867 6.171,868 6.393,869 6.654,870 6.959,871 7.229,872 7.006,873 0.9,874 53,875 12.238,877 5.253,878 7.62,879 23.883,881 20.198,883 2.12,884 69.944,888 317.82,889 130.373,890 37.921,891 39.149,892 47.145,895 130.373,896 404.113,897 37.921,898 8.825,899 41.116,900 66.334,901 46.635,902 52.528,904 317.82,905 39.149,906 317.82,907 168.293,908 47.145,909 39.149,911 270.735,912 94.229,915 57.967,916 93.541,917 55.934,919 317.82,920 85.065,921 169.521,924 317.82,925 55.214,926 78.283,927 18.011,928 103.079,929 317.82,930 85.065,931 169.521,933 0.586,934 0.338,935 0.183,936 0.109,937 26,938 11,939 0.092,940 6,941 2,942 1.154,943 4.609,944 299.176,945 0.154,946 26,947 162.465,951 22.454,952 9.88,953 5.264,954 1.752,955 85.065,956 13.939,957 4.554,961 5.223,963 18.011,964 572.406,965 46.5,970 11.572,974 -0.09,975 61.098,976 68.465,977 0.264,978 0.623,979 0.834,980 0.904,981 0.909,982 0.909,983 5.113,984 1.917,985 6.019,986 5.92,987 4.654,988 5.142,989 2.496,990 6.808,991 4.558,992 6.305,993 1.652,994 7.562,995 5.637,996 4.205,997 4.987,998 1.668,999 7.636,1000 4.061,1001 7.608,1002 1.563,1003 9.199,1004 4.558,1005 6.232,1006 7.331,1007 3.324,1008 10.72,1009 6.057,1010 8.942,1011 1.235,1012 10.891,1013 4.26,1014 6.567,1015 8.006,1016 3.213,1017 12.38,1018 6.341,1019 10.308,1020 1,1021 12.62,1022 2.931,1023 8.066,1024 9.859,1025 4.506,1026 14.987,1027 7.812,1028 11.697,1029 0.984,1030 14.375,1031 2.343,1032 8.786,1033 10.949,1034 4.752,1035 17.027,1036 8.482,1037 13.105,1038 0.796,1039 16.151,1040 2.275,1041 10.059,1042 12.599,1043 5.816,1044 19.468,1045 9.726,1046 3.141,1047 0.359,1048 17.943,1049 1.863,1050 10.979,1051 13.901,1052 6.248,1053 21.684,1054 10.596,1055 2.968,1056 10.773,1057 19.75,1058 0.858,1059 12.155,1060 15.464,1061 7.175,1062 24.068,1063 11.74,1064 2.681,1065 9.355,1066 21.568,1067 4.556,1068 13.176,1069 16.871,1070 7.714,1071 26.364,1072 12.712,1073 2.407,1074 7.692,1075 23.397,1076 3.931,1077 14.314,1078 18.398,1079 8.557,1080 28.73,1081 13.813,1082 2.341,1083 7.288,1084 25.234,1085 3.176,1086 15.386,1087 19.856,1088 9.16,1089 31.063,1090 14.838,1091 2.207,1092 6.874,1093 27.079,1094 3.011,1095 16.511,1096 21.37,1097 9.952,1098 33.426,1099 15.922,1100 2.138,1101 5.942,1102 28.931,1103 2.992,1104 17.609,1105 22.854,1106 10.594,1107 35.776,1108 16.973,1109 17744,1110 29015,1111 25.255,1112 41.137,1113 55.118,1114 57.151,1115 56.217,1116 55.047,1117 55.037,1118 69.121,1119 9.447,1120 157.766,1121 52.191,1122 5.596,1123 5.653,1124 6.23,1125 5.206,1126 5.141,1127 7.556,1128 3.634,1129 17.925,1130 5,1131 14.036,1132 1.49,1133 1.545,1134 1.519,1135 1.488,1136 1.487,1137 1.868,1138 0.255,1139 4.264,1140 1.411,1141 4.083,1142 4.105,1143 4.127,1144 4.011,1145 7.429,1146 4.015,1147 3.996,1148 4.027,1149 3.941,1150 3.907,1151 5.081,1152 3.909,1153 3.84,1154 3.894,1155 3.732,1156 3.691,1157 4.846,1158 3.691,1159 3.567,1160 3.611,1161 3.584,1162 3.438,1163 4.616,1164 3.433,1165 3.519,1166 3.56,1167 3.463,1168 3.336,1169 4.58,1170 3.355,1171 3.412,1172 3.462,1173 3.378,1174 3.232,1175 4.349,1176 3.238,1177 3.134,1178 3.206,1179 3.188,1180 2.988,1181 4.231,1182 2.982,1183 3.111,1184 3.186,1185 2.932,1186 2.941,1187 3.98,1188 2.91,1189 0.124,1190 0.099,1191 0.181,1192 0.111,1193 0.085,1194 4.596,1195 0.123,1196 3.653,1197 0.055,1198 6.682,1199 0.291,1200 4.099,1201 0.081,1202 3.141,1203 4.556,1204 2.03,1205 10.773,1206 3,1207 2.028,1208 2.011,1209 2.108,1210 2.116,1211 1.478,1212 2.112,1213 1.96,1214 1.932,1215 2.081,1216 2.082,1217 1.224,1218 2.088,1219 1.811,1220 1.76,1221 1.968,1222 1.989,1223 1.154,1224 1.984,1225 1.538,1226 1.496,1227 1.748,1228 1.732,1229 1.006,1230 1.737,1231 1.47,1232 1.422,1233 1.69,1234 1.66,1235 0.825,1236 1.67,1237 1.377,1238 1.33,1239 1.597,1240 1.584,1241 0.804,1242 1.6,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.776,1248 1.429,1249 1.114,1250 1.055,1251 1.411,1252 1.319,1253 0.633,1254 1.344,1255 4.317,1257 5.645,1259 7.169,1261 8.786,1263 10.45,1265 1.963,1266 6.319,1271 7.121,1272 2.901,1273 11.573,1275 0.648,1276 2.47,1280 38.884,1281 95.448,1282 225.279,1283 301.859,1284 327.02,1285 329.02,1286 329.02,1287 52.581,1288 8.434,1289 63.69,1290 63.69,1291 30,1292 12.695,1293 4.248,1294 3.392,1295 48.38,1296 182,1297 144,1298 0.127,1299 237.562,1300 414.68,1301 571.412,1302 70138,1303 1.6,1304 22.786,1305 0.69,1306 0.592,1307 23.286,1308 19.529,1309 16.047,1310 0.434,1311 0.321,1312 11.401,1313 15.195,1314 11.104,1315 9.116,1316 16.336,1317 11.894,1318 14.731,1319 0.283,1320 0.179,1321 15.102,1322 9.306,1323 12.351,1324 0.182,1325 0.1,1326 12.709,1327 6.786,1328 10.287,1329 0.116,1330 0.055,1331 10.562,1332 4.878,1333 8.998,1334 0.076,1335 0.031,1336 9.348,1337 3.703,1338 0.21,1339 103.279,1340 0.199,1341 31.583,1342 0.323,1343 178,1344 495.033,1345 209.009,1346 501.699,1347 680.42,1348 472,1349 209,1350 477.591,1351 237.275,1352 490.915,1353 722,1354 463,1355 7.2} {0 CHEMBL241503,1 1.565,2 14.939,3 4.288,4 18.383,5 123.792,6 7.37,7 0.459,8 4.216,9 4.328,10 3.779,11 3.749,12 5.269,13 3.734,14 4.797,15 4.966,16 4.151,17 4.156,18 5.82,19 4.123,20 5.086,21 5.291,22 4.246,23 4.319,24 6.138,25 4.254,26 5.143,27 5.38,28 4.105,29 4.295,30 6.121,31 4.186,32 5.1,33 5.357,34 3.989,35 4.204,36 6.084,37 4.084,38 4.997,39 5.245,40 3.862,41 4.095,42 5.93,43 3.982,44 4.916,45 5.164,46 3.795,47 4.03,48 5.82,49 3.918,50 4.854,51 5.095,52 3.772,53 4.022,54 5.685,55 3.905,56 0.033,57 0.937,58 12.656,59 5.905,60 6.351,61 7.485,62 0.269,63 1.55,64 25.366,65 9.875,66 25.117,67 12.945,68 0.669,69 1.996,70 36.259,71 12.989,72 62.526,73 17.368,74 0.615,75 2.063,76 39.999,77 14.972,78 70.368,79 19.939,80 0.599,81 1.896,82 39.266,83 14.049,84 87.885,85 19.213,86 0.514,87 1.779,88 35.4,89 12.373,90 68.297,91 16.438,92 0.591,93 1.612,94 32.512,95 10.848,96 62.32,97 14.815,98 0.37,99 1.43,100 29.538,101 10.754,102 36.434,103 14.879,104 10,105 52,106 0.252,107 0.594,108 0.796,109 0.862,110 0.867,111 0.867,112 3.531,113 0.934,114 -4.22,115 -4.16,116 -3.93,119 42.6,120 1,121 3,122 1,125 5,140 7,141 2,142 4,144 2,156 1,169 10,172 9,174 1,178 11,181 2,182 6,184 1,186 2,189 8,192 1,193 5,197 2,199 8,203 8,208 1,211 4,215 8,220 2,222 1,225 1,226 7,233 4,237 3,240 1,244 6,248 1,249 4,256 8,259 1859,260 22.532,261 22.532,262 22.532,263 22.532,264 22.532,265 20.261,266 25.426,267 13.213,268 23.02,269 18.27,270 18.27,271 18.27,272 18.27,273 18.27,274 14.802,275 26.39,276 6.3,277 19.08,278 4.366,279 2.238,280 0.982,281 0.57,282 0.537,283 0.537,284 4.243,288 1,289 1,290 1097,291 3.082,295 487.013,299 324.744,302 2.32,303 35.945,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 72,315 493,316 4.516,317 3.68,318 6.642,319 4.091,320 3.134,321 4.458,322 2.03,323 10.58,324 2.993,325 4.478,326 3.332,327 6.517,328 4.026,329 3.054,330 4.161,331 0.892,332 10.248,333 2.968,334 3.797,335 3.185,336 5.761,337 3.649,338 2.682,339 3.17,340 0.86,341 7.94,342 2.599,343 3.718,344 2.893,345 5.446,346 3.405,347 2.452,348 3.058,349 0.8,350 7.148,351 2.336,352 3.604,353 2.726,354 5.322,355 3.288,356 2.338,357 2.685,358 0.141,359 6.715,360 2.219,361 3.439,362 2.602,363 5.109,364 3.143,365 2.161,366 2.633,368 6.207,369 2.104,370 3.298,371 2.382,372 4.959,373 2.973,374 2.01,375 2.592,377 5.788,378 1.919,379 3.167,380 2.151,381 4.813,382 2.845,383 1.887,384 2.285,386 5.292,387 1.8,388 3.006,389 1.939,390 4.653,391 2.642,392 1.682,393 2.217,395 4.712,396 1.599,397 2.985,398 1.631,399 4.196,400 2.512,401 1.524,402 2.085,404 3.817,405 1.504,406 2.491,407 1.595,408 3.591,409 2.161,410 1.229,411 1.488,413 2.717,414 1.134,415 2.142,416 1.462,417 3.523,418 1.984,419 1,420 1.086,422 2.275,423 0.983,424 2.051,425 1.202,426 3.414,427 1.84,428 0.919,429 1.006,431 2.221,432 0.84,433 2,434 1.077,435 3.32,436 1.795,437 0.869,438 1,440 2.01,441 0.794,442 1.614,443 0.963,444 3.149,445 1.409,446 0.469,447 0.516,449 1.171,450 0.433,451 15.486,452 0.469,453 0.78,454 0.024,455 40.75,456 1.235,457 19,458 0.576,459 21.75,460 0.659,461 30.689,462 0.93,463 36.114,464 0.592,465 29.861,466 0.905,467 7.856,468 0.238,469 8.208,470 0.249,471 0.072,473 0.349,477 1,479 0.701,480 1.198,481 0.759,482 1.133,483 0.536,484 0.989,485 0.909,486 1.079,487 0.88,488 1.024,489 0.586,490 0.956,491 0.937,492 0.972,493 1.002,494 0.998,495 0.839,496 1.006,497 0.92,498 1.116,499 1.009,500 1.105,501 0.94,502 1.084,503 0.872,504 0.994,505 0.934,506 0.983,507 0.778,508 0.975,509 1.228,510 1.143,511 1.12,512 1.044,513 1.286,514 1.058,515 1.128,516 0.906,517 1.142,518 0.949,519 1.15,520 1.025,521 0.806,522 0.862,523 1.013,524 1.021,525 0.609,526 1.053,527 6.5,528 0.165,529 3.778,530 1.938,531 2.067,532 0.875,533 0.624,534 0.389,535 0.237,536 0.207,537 19131,538 49494,539 2.15,540 45.9,541 3,542 17,545 1,546 3,547 4,550 1.744,551 2.041,552 3.813,553 -0.382,555 1,559 95.448,560 1.565,561 3.693,562 4.949,563 5.361,564 5.394,565 5.394,566 3.222,567 4.741,568 5.02,569 4.036,570 2131.16,571 8.739,572 34223,574 1,577 361.775,578 1.301,579 4.989,580 0.176,581 0.007,582 0.073,583 0.036,584 0.046,585 0.022,586 0.018,587 0.012,588 0.007,589 0.007,590 0.403,591 0.33,592 0.88,593 0.467,594 179.938,595 -0.022,596 -0.122,597 0.063,598 -0.054,599 -0.009,600 0.008,601 -0.041,602 -0.072,603 0.028,604 -0.015,605 0.033,606 0.014,607 0.051,608 0.026,609 -0.042,610 -0.019,611 0.046,612 -0.044,613 0.055,614 -0.072,615 -0.024,616 -0.095,617 0.03,618 -0.079,619 0.046,620 -0.034,621 0.062,622 0.004,623 0.119,624 0.031,625 -0.134,626 -0.063,627 -0.105,628 -0.057,629 -0.135,630 -0.071,631 -0.102,632 0.105,633 -0.139,634 0.007,635 -0.142,636 -0.059,637 -0.052,638 -0.024,639 -0.062,640 -0.046,641 -0.04,642 -0.056,643 2.031,644 6.894,645 0.788,646 37.414,647 1.005,648 1.129,649 2.99,650 8.942,651 0.659,652 3.638,653 3.97,654 4.248,655 4.511,656 4.779,657 4.787,658 4.86,659 4.99,660 5.075,661 5.063,662 8.801,663 0.63,664 449.57,665 3.638,666 5.187,667 6.043,668 6.921,669 7.789,670 8.669,671 9.543,672 10.423,673 11.299,674 12.18,675 4.9,678 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 61,716 18,717 2,718 37,720 65,721 26,722 15,723 7,724 5,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,762 1,764 28,765 7,766 1,767 7,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 33,833 8,834 1,835 2,837 1,838 1,846 1,847 4.9,850 1,852 2,854 16.167,855 11.21,856 7.139,857 3.859,858 3.451,859 1.409,860 1,861 6.477,862 11.886,863 3.861,864 4.454,865 5.016,866 5.584,867 6.149,868 6.362,869 6.617,870 6.931,871 7.17,872 6.901,873 0.9,874 54,875 12.318,877 5.374,878 7.737,879 23.744,881 20.094,883 2.237,884 73.833,887 1,888 317.82,889 135.993,890 37.921,892 47.145,893 14.96,895 135.993,896 364.964,897 52.881,898 8.825,899 41.116,900 66.334,901 46.635,902 58.148,903 14.96,904 317.82,906 317.82,907 173.914,908 62.105,911 285.695,912 94.229,915 57.967,916 99.162,917 16.786,919 332.78,920 85.065,921 135.993,924 317.82,925 60.834,926 78.283,927 18.011,928 78.89,929 317.82,930 100.025,931 135.993,933 0.585,934 0.342,935 0.186,936 0.108,937 26,938 11,939 0.092,940 6,941 2,942 1.154,943 4.586,944 300.91,945 0.154,946 26,947 160.465,951 22.121,952 9.662,953 4.972,954 1.99,955 100.025,956 13.587,957 4.566,961 2.724,963 18.011,964 553.838,965 46.5,970 11.549,974 -0.316,975 61.287,976 68.86,977 0.264,978 0.623,979 0.834,980 0.904,981 0.909,982 0.909,983 5.113,984 1.887,985 6.023,986 5.788,987 4.654,988 5.142,989 2.496,990 6.823,991 4.571,992 6.305,993 1.682,994 7.574,995 5.292,996 4.205,997 4.987,998 1.668,999 7.684,1000 4.092,1001 7.61,1002 1.524,1003 9.222,1004 4.712,1005 6.24,1006 7.334,1007 3.324,1008 10.782,1009 6.083,1010 8.947,1011 1.229,1012 10.927,1013 3.817,1014 6.594,1015 8.018,1016 3.213,1017 12.478,1018 6.401,1019 10.318,1020 1,1021 12.67,1022 2.717,1023 8.093,1024 9.866,1025 4.506,1026 15.097,1027 7.864,1028 11.712,1029 0.919,1030 14.441,1031 2.275,1032 8.838,1033 10.957,1034 4.752,1035 17.157,1036 8.568,1037 13.126,1038 0.869,1039 16.232,1040 2.221,1041 10.112,1042 12.599,1043 5.816,1044 19.608,1045 9.809,1046 3.134,1047 0.469,1048 18.04,1049 2.01,1050 11.053,1051 13.891,1052 6.248,1053 21.828,1054 10.708,1055 3.054,1056 10.58,1057 19.861,1058 1.171,1059 12.233,1060 15.442,1061 7.175,1062 24.214,1063 11.854,1064 2.682,1065 10.248,1066 21.693,1067 4.458,1068 13.269,1069 16.831,1070 7.714,1071 26.504,1072 12.849,1073 2.452,1074 7.94,1075 23.534,1076 4.161,1077 14.411,1078 18.341,1079 8.557,1080 28.866,1081 13.956,1082 2.338,1083 7.148,1084 25.382,1085 3.17,1086 15.494,1087 19.777,1088 9.16,1089 31.187,1090 14.998,1091 2.161,1092 6.715,1093 27.237,1094 3.058,1095 16.623,1096 21.269,1097 9.952,1098 33.54,1099 16.09,1100 2.01,1101 6.207,1102 29.096,1103 2.685,1104 17.729,1105 22.727,1106 10.594,1107 35.875,1108 17.155,1109 17527,1110 28410,1111 25.255,1112 40.216,1113 55.067,1114 57.325,1115 56.504,1116 54.998,1117 55.057,1118 69.146,1119 9.447,1120 158.253,1121 52.668,1122 5.516,1123 5.68,1124 6.222,1125 5.199,1126 5.134,1127 7.458,1128 3.634,1129 17.803,1130 4.993,1131 13.842,1132 1.488,1133 1.549,1134 1.527,1135 1.486,1136 1.488,1137 1.869,1138 0.255,1139 4.277,1140 1.423,1141 4.081,1142 4.107,1143 4.04,1144 4.001,1145 8.201,1146 4.007,1147 4.003,1148 4.031,1149 3.961,1150 3.906,1151 7.429,1152 3.913,1153 3.842,1154 3.896,1155 3.731,1156 3.691,1157 5.016,1158 3.692,1159 3.567,1160 3.611,1161 3.473,1162 3.431,1163 4.789,1164 3.428,1165 3.519,1166 3.561,1167 3.431,1168 3.334,1169 4.58,1170 3.353,1171 3.41,1172 3.463,1173 3.271,1174 3.228,1175 4.349,1176 3.235,1177 3.127,1178 3.206,1179 3.01,1180 2.966,1181 4.243,1182 2.962,1183 3.111,1184 3.187,1185 2.926,1186 2.941,1187 4.162,1188 2.91,1189 0.122,1190 0.099,1191 0.18,1192 0.111,1193 0.085,1194 4.516,1195 0.12,1196 3.68,1197 0.055,1198 6.642,1199 0.286,1200 4.091,1201 0.081,1202 3.134,1203 4.458,1204 2.03,1205 10.58,1206 2.993,1207 2.032,1208 2.011,1209 2.11,1210 2.125,1211 1.478,1212 2.121,1213 1.955,1214 1.928,1215 2.096,1216 2.083,1217 1.222,1218 2.086,1219 1.809,1220 1.759,1221 1.95,1222 1.989,1223 1.146,1224 1.98,1225 1.54,1226 1.496,1227 1.753,1228 1.732,1229 1.003,1230 1.737,1231 1.471,1232 1.422,1233 1.704,1234 1.664,1235 0.825,1236 1.676,1237 1.377,1238 1.329,1239 1.595,1240 1.59,1241 0.807,1242 1.601,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.776,1248 1.429,1249 1.118,1250 1.054,1251 1.425,1252 1.325,1253 0.629,1254 1.353,1255 4.317,1257 5.645,1259 7.174,1261 8.796,1263 10.468,1265 1.989,1267 14.894,1271 6.045,1272 2.598,1273 11.384,1275 0.419,1276 2.404,1280 38.44,1281 95.448,1282 225.279,1283 301.859,1284 327.02,1285 329.02,1286 329.02,1287 62.556,1288 8.435,1289 63.69,1290 63.69,1291 30,1292 12.716,1293 4.248,1294 3.392,1295 48.361,1296 181,1297 151,1298 0.129,1299 230.428,1300 405.54,1301 554.003,1302 70335,1303 1.6,1304 22.786,1305 0.69,1306 0.569,1307 21.916,1308 18.773,1309 16.064,1310 0.434,1311 0.311,1312 11.352,1313 15.398,1314 11.113,1315 9.123,1316 15.636,1317 11.522,1318 14.625,1319 0.281,1320 0.17,1321 14.204,1322 8.862,1323 12.486,1324 0.181,1325 0.094,1326 11.863,1327 6.519,1328 10.405,1329 0.116,1330 0.052,1331 10.025,1332 4.679,1333 8.97,1334 0.076,1335 0.03,1336 8.573,1337 3.499,1338 0.213,1339 101.071,1340 0.199,1341 31.513,1342 0.329,1343 178,1344 554.941,1345 197.32,1346 501.506,1347 680.98,1348 472,1349 210,1350 495.062,1351 230.411,1352 491.68,1353 724.82,1354 464,1355 9.1} {0 CHEMBL24474,1 1.87,2 9.087,3 2.141,4 4.583,5 96.096,6 9.933,7 0.48,8 3.805,9 3.912,10 3.759,11 3.42,12 4.857,13 3.357,14 4.35,15 4.504,16 4.141,17 3.811,18 5.627,19 3.739,20 4.614,21 4.807,22 4.18,23 3.978,24 5.767,25 3.86,26 4.658,27 4.859,28 4.349,29 3.92,30 5.846,31 3.797,32 4.529,33 4.724,34 4.379,35 3.847,36 5.806,37 3.735,38 4.376,39 4.534,40 4.185,41 3.835,42 5.584,43 3.666,44 4.434,45 4.611,46 3.997,47 3.668,48 5.65,49 3.522,50 4.164,51 4.361,52 3.397,53 3.355,54 5.388,55 3.227,56 0.107,57 0.639,58 6.891,59 3.971,60 18.474,61 4.282,62 0.321,63 1.016,64 13.817,65 6.401,66 45.031,67 7.439,68 0.347,69 1.245,70 29.373,71 9.835,72 37.636,73 10.833,74 0.495,75 1.176,76 38.81,77 10.231,78 72.04,79 10.987,80 0.613,81 1.027,82 32.267,83 8.939,84 67.855,85 10.021,86 0.297,87 0.948,88 39.989,89 9.785,90 50.213,91 9.912,92 0.535,93 0.883,94 50.115,95 9.108,96 78.941,97 8.63,98 0.44,99 0.692,100 25.911,101 5.737,102 57.867,103 6.176,104 17,105 36,106 0.331,107 0.625,108 0.706,109 0.801,110 0.801,111 0.801,112 3.189,113 1.138,114 -3.31,115 -3.3,116 -3.16,118 1,119 37.5,125 4,140 6,142 3,145 2,161 1,162 1,163 1,169 2,171 2,172 4,176 2,178 4,180 2,182 8,184 1,186 2,189 2,191 2,193 6,199 5,202 4,203 2,206 1,208 1,211 4,215 4,217 2,218 2,222 2,226 4,231 4,233 2,235 2,240 2,251 2,252 2,254 3,258 1,259 711,260 15.134,261 15.134,262 15.134,263 15.134,264 15.134,265 13.447,266 21.038,267 8.854,268 15.869,269 12.336,270 12.336,271 12.336,272 12.336,273 12.336,274 9.712,275 27.697,276 4.223,277 13.616,278 3.452,279 1.794,280 1.338,281 0.8,282 0.8,283 0.8,284 3.864,288 1,289 1,290 445,291 3,295 226.642,302 1.323,303 32.135,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49.75,315 209,316 4.976,317 5.351,318 7.67,319 4.385,320 3.521,321 4.871,322 2.95,323 13.637,324 3.01,325 4.163,326 3.252,327 6.188,328 3.789,329 2.874,330 3.743,331 0.8,332 9.229,333 2.626,334 3.849,335 3.002,336 5.606,337 3.415,338 2.449,339 3.392,340 0.4,341 6.984,342 2.36,343 3.561,344 2.738,345 5.081,346 3.17,347 2.285,348 2.785,350 6.181,351 2.002,352 3.186,353 2.42,354 4.914,355 2.703,356 1.802,357 2.438,359 5.31,360 1.625,361 2.927,362 2.003,363 4.367,364 2.644,365 1.72,366 2.009,368 4.267,369 1.48,370 2.779,371 1.445,372 4.138,373 2.213,374 1.252,375 1.829,377 3.495,378 1.161,379 2.5,380 1.218,381 3.49,382 2,383 1.035,384 1.5,386 2.586,387 1,388 2.198,389 1.146,390 3.414,391 1.967,392 1,393 1.172,395 2.275,396 0.965,397 2,398 1,399 3.247,400 1.96,401 1,402 1,404 2.136,405 0.954,406 1.12,407 0.524,408 2.97,409 0.723,410 -0.222,411 -0.279,413 -0.488,414 -0.203,415 1,416 0.181,417 2.594,418 0.485,419 -0.384,420 -0.483,422 -0.985,423 -0.211,424 0.955,425 -0.078,426 2.545,427 0.348,428 -0.515,429 -0.6,431 -1.318,432 -0.47,433 0.823,434 -0.384,435 2.148,436 0.067,437 -0.855,438 -1,440 -2.336,441 -0.741,442 0.5,443 -0.502,444 2,446 -1,447 -1.057,449 -2.347,450 -0.9,451 11.933,452 0.519,453 0.708,454 0.031,455 31,456 1.348,457 16,458 0.696,459 15,460 0.652,461 18.662,462 0.811,463 24.667,464 0.617,465 21.468,466 0.933,467 5.712,468 0.248,469 5.252,470 0.228,471 0.201,472 0.07,473 0.243,479 0.649,480 1.319,481 0.546,482 0.975,483 0.733,484 0.851,485 0.781,486 1.081,487 0.574,488 0.802,489 0.566,490 0.851,491 0.979,492 1.011,493 0.772,494 1.003,495 0.762,496 0.949,497 1.303,498 1.008,499 0.59,500 0.867,501 1.505,502 0.909,503 0.847,504 0.764,505 1.098,506 0.871,507 1.122,508 0.832,509 0.829,510 1.266,511 1.982,512 1.614,513 0.662,514 1.282,515 1.931,516 1.12,517 2.195,518 1.488,519 2.047,520 1.237,521 1.604,522 0.965,523 1.394,524 1.059,525 1.755,526 1.213,527 6,528 0.049,529 3.333,530 1.875,531 1.324,532 1.125,533 0.609,534 0.283,535 0.148,536 0.078,537 5163,538 16189,539 2.031,540 42.5,542 14,545 3,550 1.662,551 1.878,552 3.167,553 1.118,554 1,555 1,559 74.787,560 1.87,561 3.528,562 3.984,563 4.522,564 4.522,565 4.522,566 2.666,567 4.089,568 4.495,569 3.259,570 824.562,571 7.762,572 9097.12,574 1,576 1,577 212.877,578 1.631,579 4.433,580 0.24,581 0.008,582 0.093,583 0.051,584 0.04,585 0.034,586 0.021,587 0.012,588 0.009,589 0.007,590 0.515,591 0.5,592 1,593 0.636,594 105.896,595 0.009,596 -0.088,597 0.035,598 -0.007,599 -0.172,600 0.051,601 0.095,602 0.043,603 0.041,604 0.066,605 0.217,606 0.037,607 -0.101,608 0.053,609 -0.034,610 -0.013,611 0.069,612 0.008,613 -0.125,614 -0.062,615 0.128,616 0.075,617 -0.144,618 0.049,619 0.292,620 0.176,621 0.105,622 0.13,623 0.072,624 0.149,625 0.035,626 -0.232,627 -0.208,628 -0.27,629 0.152,630 -0.208,631 -0.427,632 -0.2,633 -0.308,634 -0.24,635 -0.358,636 -0.226,637 -0.282,638 -0.022,639 -0.246,640 -0.146,641 -0.305,642 -0.298,643 4.524,644 5.812,645 0.783,646 17.119,647 1.014,648 1.127,649 2.085,650 4.347,651 0.707,652 3.258,653 3.611,654 3.85,655 4.06,656 4.317,657 4.331,658 4.394,659 4.344,660 4.394,661 4.344,662 5.278,663 0.66,664 397.33,665 3.258,666 4.812,667 5.659,668 6.547,669 7.419,670 8.311,671 9.192,672 10.087,673 10.974,674 11.87,675 10,677 1,679 1,681 1,685 1,688 6,689 1,693 5,695 12,705 1,709 1,713 1,714 40,716 14,717 1,718 25,719 1,720 42,721 15,722 11,723 2,724 4,730 3,731 3,745 11,746 4,750 2,753 1,755 2,761 1,764 17,765 6,766 3,767 8,768 2,773 4,777 1,778 2,786 1,793 3,814 1,819 3,821 1,822 1,827 23,828 1,829 1,833 4,834 1,838 1,846 1,847 5,850 2,854 12.25,855 6.876,856 4.944,857 2.247,858 2.188,859 1.323,860 1.015,861 4.803,862 8.969,863 3.526,864 4.159,865 4.682,866 5.189,867 5.743,868 5.95,869 6.234,870 6.271,871 6.555,872 6.773,873 1,874 37,875 8.753,877 4.01,878 7.913,879 16.202,881 13.607,883 2.413,884 55.5,888 164.795,889 82.139,890 116.772,892 44.313,894 6.046,895 122.047,896 209.108,897 70.818,899 8.423,900 113.811,901 61.098,902 8.983,903 4.954,904 210.75,906 164.795,907 146.91,908 44.313,909 6.046,910 45.954,911 164.795,912 44.313,915 26.434,916 103.691,917 22.831,918 45.954,919 164.795,920 115.131,921 128.093,923 6.046,924 164.795,925 19.235,926 59.982,927 63.965,928 93.996,929 164.795,930 115.131,931 128.093,933 0.592,934 0.34,935 0.173,936 0.102,937 18,938 8,939 0.071,940 3,942 1,943 3.41,944 186.362,946 18,947 94.042,950 1,951 16.555,952 6.673,953 3.623,955 115.131,956 9.354,957 4.409,961 2.132,963 50.908,964 408.019,965 33,968 -3.607,970 25.624,975 40.553,976 45.08,977 0.351,978 0.663,979 0.749,980 0.85,981 0.85,982 0.85,983 4.779,984 1.035,985 5.694,986 3.495,987 4.29,988 4.844,989 2.98,990 6.567,991 4.098,992 6.025,993 1,994 7.306,995 2.586,996 4.111,997 4.987,998 0.325,999 7.874,1000 3.687,1001 7.387,1002 1,1003 9.043,1004 2.275,1005 5.994,1006 7.182,1007 5.03,1008 10.949,1009 5.565,1010 8.796,1011 -0.222,1012 10.862,1013 2.136,1014 6.635,1015 8.157,1016 0.268,1017 13.133,1018 5.947,1019 10.248,1020 -0.384,1021 12.737,1022 -0.488,1023 8.074,1024 9.927,1025 7.185,1026 15.857,1027 7.352,1028 11.731,1029 -0.515,1030 14.653,1031 -0.985,1032 9.069,1033 11.251,1034 0.188,1035 18.332,1036 8.098,1037 13.239,1038 -0.855,1039 16.598,1040 -1.318,1041 10.363,1042 12.885,1043 9.348,1044 20.971,1045 9.31,1046 3.521,1047 -1,1048 18.566,1049 -2.336,1050 11.507,1051 14.356,1052 0.125,1053 23.538,1054 10.23,1055 2.874,1056 13.637,1057 20.551,1058 -2.347,1059 12.759,1060 15.947,1061 11.511,1062 26.156,1063 11.361,1064 2.449,1065 9.229,1066 22.548,1067 4.871,1068 13.964,1069 17.48,1070 0.082,1071 28.752,1072 12.365,1073 2.285,1074 6.984,1075 24.555,1076 3.743,1077 15.209,1078 19.061,1079 13.675,1080 31.365,1081 13.465,1082 1.802,1083 6.181,1084 26.568,1085 3.392,1086 16.441,1087 20.621,1088 0.054,1089 33.972,1090 14.512,1091 1.72,1092 5.31,1093 28.587,1094 2.785,1095 17.687,1096 22.2,1097 15.838,1098 36.584,1099 15.602,1100 1.252,1101 4.267,1102 30.611,1103 2.438,1104 18.931,1105 23.772,1106 0.035,1107 39.195,1108 16.671,1109 5070,1110 9139,1111 16.296,1112 28.262,1113 37.878,1114 39.59,1115 38.812,1116 38.171,1117 37.873,1118 49.482,1119 8.3,1120 112.2,1121 34.367,1122 5.976,1123 7.351,1124 7.472,1125 5.506,1126 5.521,1127 7.871,1128 5.9,1129 21.671,1130 5.01,1131 11.453,1132 1.515,1133 1.584,1134 1.552,1135 1.527,1136 1.515,1137 1.979,1138 0.332,1139 4.488,1140 1.375,1141 4.13,1142 4.108,1143 6.88,1144 4.149,1145 7.715,1146 4.052,1147 3.863,1148 3.916,1149 4.752,1150 3.753,1151 6.999,1152 3.752,1153 3.725,1154 3.772,1155 3.767,1156 3.572,1157 5.108,1158 3.56,1159 3.472,1160 3.461,1161 3.709,1162 3.38,1163 4.847,1164 3.314,1165 3.111,1166 3.206,1167 3.435,1168 2.941,1169 4.439,1170 2.91,1171 2.988,1172 3.076,1173 2.866,1174 2.872,1175 4.365,1176 2.826,1177 2.897,1178 2.994,1179 2.801,1180 2.735,1181 3.805,1182 2.715,1183 2.854,1184 2.925,1185 2.737,1186 2.649,1187 3.705,1188 2.652,1189 0.199,1190 0.214,1191 0.307,1192 0.175,1193 0.141,1194 4.976,1195 0.195,1196 5.351,1197 0.118,1198 7.67,1199 0.545,1200 4.385,1201 0.12,1202 3.521,1203 4.871,1204 2.95,1205 13.637,1206 3.01,1207 2.014,1208 2.033,1209 2.002,1210 2.077,1211 1.279,1212 2.107,1213 1.824,1214 1.782,1215 1.972,1216 1.991,1217 1.21,1218 1.997,1219 1.675,1220 1.619,1221 1.778,1222 1.833,1223 0.938,1224 1.847,1225 1.294,1226 1.316,1227 1.513,1228 1.471,1229 0.825,1230 1.493,1231 1.153,1232 1.064,1233 1.25,1234 1.376,1235 0.436,1236 1.429,1237 0.928,1238 0.863,1239 1.185,1240 1.212,1241 0.322,1242 1.216,1243 0.886,1244 0.821,1245 1.181,1246 1.129,1247 0.218,1248 1.144,1249 0.801,1250 0.722,1251 0.957,1252 1.062,1253 0.094,1254 1.107,1255 3.932,1257 5.273,1259 6.819,1261 8.452,1263 10.129,1264 3.318,1269 5.629,1271 3.304,1272 3.264,1276 2.073,1280 26.415,1281 74.787,1282 141.103,1283 159.367,1284 180.877,1285 180.877,1286 180.877,1287 45.969,1288 6.781,1289 88.32,1290 96.7,1291 18,1292 12.397,1293 3.907,1294 3.17,1295 36.654,1296 71,1297 78,1298 0.254,1299 173.125,1300 292.71,1301 414.186,1302 6877,1303 2.5,1304 16.449,1305 0.715,1306 0.642,1307 17.699,1308 14.77,1309 10.964,1310 0.439,1311 0.379,1312 7.281,1313 9.233,1314 6.974,1315 5.734,1316 12.33,1317 9.482,1318 10.446,1319 0.29,1320 0.224,1321 12.581,1322 8.055,1323 8.416,1324 0.183,1325 0.127,1326 10.202,1327 5.851,1328 6.592,1329 0.116,1330 0.076,1331 8.34,1332 4.328,1333 5.54,1334 0.075,1335 0.044,1336 7.502,1337 3.293,1338 0.386,1339 84.816,1340 0.248,1341 22.219,1342 0.734,1343 122,1344 369.921,1345 240.333,1346 417.167,1347 552.25,1348 382,1349 143,1350 350.092,1351 228.155,1352 403.767,1353 590.46,1354 378,1355 5.95} {0 CHEMBL244946,1 1.442,2 17.179,3 5.8,4 33.641,5 163.382,6 7.268,7 0.614,8 4.393,9 4.524,10 3.992,11 3.98,12 5.397,13 3.924,14 4.953,15 5.151,16 4.37,17 4.386,18 5.865,19 4.314,20 5.176,21 5.384,22 4.461,23 4.583,24 6.061,25 4.476,26 5.322,27 5.554,28 4.36,29 4.62,30 6.147,31 4.477,32 5.344,33 5.607,34 4.332,35 4.58,36 6.137,37 4.42,38 5.289,39 5.561,40 4.251,41 4.51,42 6.043,43 4.319,44 5.157,45 5.417,46 4.157,47 4.393,48 5.902,49 4.201,50 5.077,51 5.346,52 4.037,53 4.283,54 5.826,55 4.122,56 0.108,57 1.156,58 16.554,59 6.965,60 13.18,61 9.469,62 0.3,63 1.928,64 33.864,65 11.527,66 23.796,67 16.166,68 0.302,69 2.334,70 42.013,71 15.113,72 33.607,73 20.917,74 0.358,75 2.582,76 50.575,77 17.897,78 39.061,79 24.872,80 0.393,81 2.539,82 50.058,83 18.403,84 45.13,85 26.036,86 0.432,87 2.395,88 53.293,89 18.849,90 42.527,91 25.368,92 0.365,93 2.141,94 48.183,95 16.595,96 33.513,97 22.076,98 0.372,99 1.963,100 40.519,101 13.468,102 30.486,103 18.904,104 17,105 63,106 0.221,107 0.541,108 0.75,109 0.841,110 0.862,111 0.874,112 3.693,113 1.001,114 -6.69,115 -6.51,116 -6.03,119 41.9,120 2,121 3,124 2,125 4,140 9,141 5,144 3,150 1,159 1,160 1,164 2,169 14,171 2,172 15,178 20,182 15,189 16,193 16,199 13,202 2,203 13,211 11,214 3,215 5,222 11,225 2,226 5,233 10,236 1,237 6,244 5,249 11,256 6,259 2957,260 26.601,261 26.601,262 26.601,263 26.601,264 26.601,265 23.318,266 22.612,267 15.476,268 27.261,269 21.719,270 21.719,271 21.719,272 21.719,273 21.719,274 16.759,275 20.545,276 7.35,277 22.799,278 4.767,279 2.676,280 1.312,281 0.716,282 0.581,283 0.5,284 4.409,290 1502,291 3.317,294 222.484,295 336.511,296 122.754,299 189.041,300 202.284,302 2.543,303 17.359,306 0.5,307 0.5,308 0.67,309 0.6,310 0.5,311 0.67,312 1,313 0.63,314 81.5,315 670,316 4.633,317 4.434,318 6.837,319 4.185,320 3.225,321 4.54,322 2.95,323 11.313,324 3.117,325 4.465,326 3.209,327 6.517,328 4.076,329 3.098,330 4.177,331 0.8,332 10.231,333 3.035,334 4.295,335 3.2,336 6.294,337 3.812,338 2.868,339 4.023,341 9.387,342 2.773,343 4.17,344 3.029,345 6.134,346 3.794,347 2.832,348 3.771,350 9.022,351 2.645,352 3.708,353 2.923,354 5.568,355 3.355,356 2.425,357 3.155,359 7.178,360 2.254,361 3.559,362 2.71,363 5.318,364 3.277,365 2.336,366 2.87,368 6.893,369 2.195,370 3.405,371 2.549,372 5.207,373 3.128,374 2.151,375 2.682,377 6.358,378 2.094,379 3.353,380 2.312,381 4.968,382 2.929,383 1.985,384 2.443,386 5.669,387 1.866,388 3.045,389 2.231,390 4.641,391 2.68,392 1.703,393 2.285,395 4.688,396 1.673,397 3.03,398 1.982,399 4.622,400 2.642,401 1.664,402 2.199,404 4.507,405 1.614,406 2.943,407 1.87,408 4.448,409 2.568,410 1.626,411 2.077,413 4.424,414 1.535,415 2.857,416 1.727,417 4.143,418 2.461,419 1.496,420 1.992,422 3.575,423 1.413,424 2.566,425 1.513,426 3.912,427 2.24,428 1.288,429 1.592,431 2.986,432 1.217,433 2.481,434 1.234,435 3.821,436 2.096,437 1.154,438 1.479,440 2.805,441 1.084,442 2.418,443 1.128,444 3.608,445 2.003,446 1.019,447 1.388,449 2.767,450 1.001,451 19.133,452 0.491,453 0.972,454 0.025,455 49.75,456 1.276,457 24.5,458 0.628,459 25.25,460 0.647,461 40.023,462 1.026,463 40.867,464 0.552,465 37.088,466 0.951,467 9.302,468 0.239,469 9.655,470 0.248,471 0.105,473 0.35,479 0.728,480 1.264,481 0.784,482 1.023,483 0.772,484 0.977,485 1.097,486 1.075,487 0.904,488 0.927,489 0.665,490 0.834,491 1.182,492 1.084,493 1.037,494 1.015,495 1.045,496 0.994,497 1.144,498 1.171,499 1.207,500 1.2,501 1.014,502 1.161,503 0.918,504 0.995,505 0.898,506 0.956,507 0.952,508 1.015,509 0.891,510 0.934,511 1.147,512 1.065,513 0.945,514 0.996,515 0.943,516 1.094,517 1.309,518 1.241,519 1.034,520 1.102,521 1.327,522 0.95,523 1.089,524 0.953,525 1.149,526 0.986,527 7.5,528 0.197,529 4.889,530 2.951,531 2.315,532 1.23,533 0.864,534 0.552,535 0.327,536 0.264,537 30553,538 66977,539 2.155,540 47.3,542 23,546 6,547 4,548 2,550 1.786,551 2.035,552 4.004,553 -0.789,559 106.743,560 1.442,561 3.533,562 4.898,563 5.493,564 5.628,565 5.709,566 3.472,567 4.978,568 5.261,569 4.223,570 3129.04,571 9.225,572 56990.9,577 459.5,578 1.348,579 5.226,580 0.17,581 0.006,582 0.078,583 0.044,584 0.039,585 0.022,586 0.018,587 0.013,588 0.008,589 0.008,590 0.407,591 0.17,592 0.63,593 0.472,594 223.93,595 0.226,596 -0.103,597 0.097,598 -0.026,599 0.104,600 -0.003,601 0.079,602 0.038,603 0.113,604 0.079,605 0.222,606 0.129,607 -0.132,608 -0.007,609 -0.036,610 -0.003,611 -0.05,612 -0.017,613 -0.146,614 -0.144,615 -0.192,616 -0.186,617 -0.067,618 -0.177,619 0.025,620 -0.032,621 0.031,622 -0.001,623 0.02,624 -0.029,625 0.062,626 0.036,627 0.012,628 0.02,629 0.016,630 0.016,631 0.038,632 -0.096,633 -0.064,634 -0.105,635 -0.102,636 -0.086,637 -0.145,638 0.056,639 -0.055,640 0.022,641 -0.151,642 -0.021,643 0.778,644 1.675,645 0.795,646 50.31,647 0.989,648 1.125,649 5.465,650 29.861,651 0.68,652 3.807,653 4.159,654 4.466,655 4.754,656 4.963,657 5.081,658 5.209,659 5.347,660 5.438,661 5.485,662 9.904,663 0.631,664 537.8,665 3.807,666 5.371,667 6.24,668 7.132,669 8.015,670 8.909,671 9.798,672 10.693,673 11.585,674 12.482,675 9.5,678 1,683 2,685 4,687 2,688 9,689 4,693 9,694 2,695 27,714 74,716 27,717 2,718 44,720 79,721 31,722 20,723 6,724 6,730 6,731 8,736 2,740 2,743 3,745 20,746 11,764 35,765 5,767 8,768 1,773 7,777 0.667,784 1,786 1,792 2,793 3,794 1,797 1,798 1,815 1,819 4,820 1,821 1,823 4,827 39,833 7,836 1,838 1,844 1,854 19.167,855 14.817,856 8.389,857 4.645,858 5.145,859 1.563,860 1.017,861 7.463,862 14.277,863 4.069,864 4.723,865 5.354,866 5.978,867 6.484,868 6.833,869 7.265,870 7.674,871 8.012,872 8.159,873 1,874 67,875 14.413,877 6.08,878 7.415,879 28.598,881 24.032,883 1.915,884 74.667,888 411.989,889 195.52,890 73.575,894 32.22,895 163.3,896 411.989,897 73.575,898 34.443,899 14.82,900 85.286,901 69.102,902 30.466,903 2.757,904 444.208,906 411.989,907 236.875,909 32.22,911 341.362,912 70.627,915 49.949,916 120.151,917 66.775,918 32.22,919 411.989,920 73.575,921 195.52,924 411.989,925 75.791,926 126.529,928 66.775,929 411.989,930 73.575,931 195.52,933 0.589,934 0.35,935 0.194,936 0.104,937 32,938 14,939 0.089,940 7,941 2,942 1.129,943 5.038,944 387.592,945 0.129,946 31,947 202.131,948 1,951 26.099,952 11.152,953 5.481,954 2.104,955 69.899,956 19.528,957 18.266,961 10.424,962 4.098,964 681.083,965 57.5,975 73.159,976 83.221,977 0.232,978 0.569,979 0.789,980 0.885,981 0.906,982 0.919,983 5.322,984 1.985,985 6.232,986 6.358,987 4.844,988 5.412,989 2.963,990 7.064,991 4.758,992 6.543,993 1.703,994 7.803,995 5.669,996 4.443,997 5.278,998 0.325,999 7.989,1000 4.31,1001 7.864,1002 1.664,1003 9.473,1004 4.688,1005 6.46,1006 7.67,1007 5.03,1008 11.108,1009 6.298,1010 9.222,1011 1.626,1012 11.202,1013 4.507,1014 6.889,1015 8.389,1016 0.268,1017 12.878,1018 6.685,1019 10.614,1020 1.496,1021 12.969,1022 4.424,1023 8.363,1024 10.239,1025 7.185,1026 15.511,1027 8.135,1028 12.029,1029 1.288,1030 14.763,1031 3.575,1032 9.174,1033 11.354,1034 0.188,1035 17.628,1036 8.91,1037 13.463,1038 1.154,1039 16.576,1040 2.986,1041 10.436,1042 12.984,1043 9.348,1044 20.098,1045 10.149,1046 3.225,1047 1.019,1048 18.406,1049 2.805,1050 11.425,1051 14.288,1052 0.125,1053 22.365,1054 11.105,1055 3.098,1056 11.313,1057 20.247,1058 2.767,1059 12.604,1060 15.825,1061 11.511,1062 24.779,1063 12.26,1064 2.868,1065 10.231,1066 22.097,1067 4.54,1068 13.673,1069 17.219,1070 0.082,1071 27.114,1072 13.299,1073 2.832,1074 9.387,1075 23.956,1076 4.177,1077 14.823,1078 18.719,1079 13.675,1080 29.512,1081 14.424,1082 2.425,1083 9.022,1084 25.82,1085 4.023,1086 15.93,1087 20.157,1088 0.054,1089 31.88,1090 15.502,1091 2.336,1092 7.178,1093 27.691,1094 3.771,1095 17.071,1096 21.645,1097 15.838,1098 34.277,1099 16.618,1100 2.151,1101 6.893,1102 29.565,1103 3.155,1104 18.197,1105 23.106,1106 0.035,1107 36.663,1108 17.715,1109 27743,1110 41306,1111 29.937,1112 50.347,1113 66.761,1114 69.504,1115 68.583,1116 66.312,1117 66.311,1118 87.049,1119 7.5,1120 194.591,1121 63.377,1122 5.59,1123 6.434,1124 6.521,1125 5.327,1126 5.225,1127 7.54,1128 5.9,1129 18.854,1130 5.117,1131 17.905,1132 1.517,1133 1.58,1134 1.559,1135 1.507,1136 1.507,1137 1.978,1138 0.17,1139 4.423,1140 1.44,1141 4.122,1142 4.157,1143 4.129,1144 4.041,1145 5.097,1146 4.045,1147 4.055,1148 4.094,1149 4.012,1150 3.974,1151 4.956,1152 3.976,1153 3.867,1154 3.928,1155 3.952,1156 3.709,1157 4.919,1158 3.721,1159 3.833,1160 3.893,1161 3.791,1162 3.672,1163 4.648,1164 3.668,1165 3.645,1166 3.708,1167 3.575,1168 3.493,1169 4.367,1170 3.491,1171 3.498,1172 3.549,1173 3.433,1174 3.395,1175 4.224,1176 3.387,1177 3.385,1178 3.453,1179 3.34,1180 3.258,1181 3.946,1182 3.234,1183 3.273,1184 3.351,1185 3.082,1186 3.138,1187 3.928,1188 3.115,1189 0.105,1190 0.101,1191 0.155,1192 0.095,1193 0.073,1194 4.633,1195 0.103,1196 4.434,1197 0.067,1198 6.837,1199 0.257,1200 4.185,1201 0.071,1202 3.225,1203 4.54,1204 2.95,1205 11.313,1206 3.117,1207 2.05,1208 2.027,1209 2.119,1210 2.131,1211 1.303,1212 2.13,1213 1.965,1214 1.943,1215 2.066,1216 2.036,1217 1.289,1218 2.046,1219 1.724,1220 1.659,1221 1.94,1222 1.925,1223 1.252,1224 1.94,1225 1.59,1226 1.537,1227 1.768,1228 1.793,1229 1.077,1230 1.791,1231 1.564,1232 1.521,1233 1.766,1234 1.785,1235 0.931,1236 1.767,1237 1.504,1238 1.451,1239 1.729,1240 1.696,1241 0.86,1242 1.722,1243 1.496,1244 1.414,1245 1.722,1246 1.657,1247 0.795,1248 1.691,1249 1.413,1250 1.339,1251 1.681,1252 1.612,1253 0.774,1254 1.647,1255 4.489,1257 5.832,1258 3.045,1259 7.356,1260 5.476,1261 8.966,1262 7.582,1263 10.624,1265 8.159,1271 7.681,1274 1.793,1276 2.613,1280 46.712,1281 106.743,1282 261.475,1283 362.441,1284 406.48,1285 416.48,1286 422.48,1287 51.464,1288 9.132,1289 64.66,1290 89.96,1291 35,1292 13.007,1293 4.807,1294 3.858,1295 55.754,1296 241,1297 199,1298 0.111,1299 287.335,1300 480.03,1301 692.857,1302 166483,1304 26.932,1305 0.691,1306 0.615,1307 27.286,1308 24.001,1309 18.958,1310 0.431,1311 0.334,1312 13.641,1313 17.924,1314 13.056,1315 10.848,1316 19.412,1317 14.688,1318 17.414,1319 0.276,1320 0.184,1321 17.997,1322 11.574,1323 15.1,1324 0.176,1325 0.102,1326 15.8,1327 8.802,1328 12.99,1329 0.113,1330 0.056,1331 13.615,1332 6.448,1333 10.34,1334 0.073,1335 0.033,1336 10.976,1337 4.629,1338 0.183,1339 121.905,1340 0.183,1341 36.06,1342 0.282,1343 214,1344 508.376,1345 251.633,1346 527.724,1347 752.85,1348 500,1349 256,1350 573.432,1351 291.22,1352 597.739,1353 875.63,1354 562,1355 6.7} {0 CHEMBL246597,1 1.446,2 15,3 4.288,4 18.386,5 128.472,6 6.963,7 0.459,8 4.25,9 4.367,10 3.775,11 3.786,12 5.247,13 3.757,14 4.837,15 5.02,16 4.138,17 4.195,18 5.776,19 4.147,20 5.109,21 5.315,22 4.22,23 4.379,24 6.065,25 4.294,26 5.191,27 5.428,28 4.061,29 4.38,30 6.032,31 4.24,32 5.184,33 5.455,34 3.913,35 4.287,36 5.941,37 4.13,38 5.028,39 5.284,40 3.818,41 4.164,42 5.802,43 4.014,44 4.976,45 5.241,46 3.795,47 4.1,48 5.734,49 3.964,50 4.916,51 5.153,52 3.799,53 4.107,54 5.707,55 3.976,56 0.025,57 0.909,58 14.25,59 6.198,60 7.476,61 8.302,62 0.278,63 1.526,64 27.84,65 10.145,66 24.072,67 14.06,68 0.548,69 1.904,70 37.524,71 13.565,72 51.784,73 18.893,74 0.361,75 1.961,76 41.113,77 15.926,78 46.605,79 22.235,80 0.418,81 1.878,82 42.09,83 15.375,84 46.136,85 21.88,86 0.301,87 1.659,88 35.369,89 13.055,90 38.419,91 18.649,92 0.393,93 1.587,94 34.08,95 11.774,96 38.553,97 16.971,98 0.315,99 1.515,100 31.307,101 11.624,102 27.937,103 16.308,104 10,105 52,106 0.23,107 0.551,108 0.784,109 0.858,110 0.863,111 0.863,112 3.531,113 0.957,114 -4.05,115 -4,116 -3.79,119 42.2,120 1,121 3,122 1,124 1,125 5,140 8,141 2,142 3,144 2,156 1,169 11,171 1,172 10,178 13,181 3,182 9,189 10,192 1,193 8,199 10,203 9,211 4,215 11,222 1,225 1,226 7,233 4,236 1,237 3,244 6,248 1,249 5,256 8,259 1873,260 22.532,261 22.532,262 22.532,263 22.532,264 22.532,265 20.391,266 27.447,267 13.188,268 23.034,269 18.26,270 18.26,271 18.26,272 18.26,273 18.26,274 14.907,275 30.941,276 6.282,277 19.045,278 4.554,279 2.544,280 1.078,281 0.617,282 0.586,283 0.586,284 4.243,288 1,289 1,290 1101,291 3.082,295 489.756,299 326.015,302 2.364,303 24.351,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70.5,315 495,316 4.516,317 3.793,318 6.614,319 4.072,320 3.118,321 4.458,322 2.055,323 10.454,324 2.971,325 4.402,326 3.185,327 6.517,328 4.026,329 3.054,330 3.988,331 0.933,332 10.248,333 2.968,334 3.831,335 3.058,336 5.649,337 3.676,338 2.701,339 3.17,340 0.86,341 7.779,342 2.64,343 3.718,344 2.894,345 5.52,346 3.419,347 2.454,348 3.093,349 0.8,350 7.095,351 2.367,352 3.629,353 2.657,354 5.33,355 3.289,356 2.339,357 2.754,358 0.51,359 6.751,360 2.22,361 3.442,362 2.588,363 5.288,364 3.183,365 2.218,366 2.631,368 6.678,369 2.125,370 3.295,371 2.315,372 4.922,373 2.914,374 1.948,375 2.564,377 5.724,378 1.877,379 3.078,380 2.165,381 4.813,382 2.838,383 1.878,384 2.22,386 5.291,387 1.796,388 2.989,389 2.047,390 4.619,391 2.637,392 1.69,393 2.107,395 4.629,396 1.584,397 2.966,398 1.599,399 4.196,400 2.512,401 1.524,402 2.075,404 3.817,405 1.504,406 2.491,407 1.464,408 3.548,409 2.16,410 1.228,411 1.488,413 2.714,414 1.134,415 2.202,416 1.406,417 3.527,418 1.984,419 1,420 1.145,422 2.275,423 0.983,424 2.135,425 1.077,426 3.414,427 1.876,428 0.924,429 1.077,431 2.227,432 0.874,433 2,434 1.026,435 3.316,436 1.834,437 0.865,438 1,440 2.002,441 0.834,442 1.671,443 0.964,444 3.051,445 1.336,446 0.366,447 0.422,449 0.896,450 0.35,451 15.7,452 0.476,453 0.78,454 0.024,455 40.75,456 1.235,457 19,458 0.576,459 21.75,460 0.659,461 31.019,462 0.94,463 35.9,464 0.561,465 29.294,466 0.888,467 7.787,468 0.236,469 8.277,470 0.251,471 0.085,473 0.338,479 0.781,480 1.402,481 0.821,482 1.185,483 0.603,484 1.034,485 1.127,486 1.083,487 0.928,488 0.947,489 0.673,490 0.906,491 1.058,492 0.999,493 1.06,494 1.007,495 0.924,496 1.022,497 0.88,498 1.1,499 1.055,500 1.157,501 0.893,502 1.14,503 0.963,504 0.91,505 0.969,506 0.943,507 0.75,508 0.959,509 0.898,510 1.11,511 1.032,512 1.093,513 0.796,514 1.086,515 1.047,516 0.914,517 1.012,518 0.905,519 0.984,520 0.942,521 1.02,522 1.036,523 1.105,524 1.082,525 0.883,526 1.101,527 6.5,528 0.182,529 3.778,530 1.938,531 1.907,532 0.764,533 0.686,534 0.392,535 0.225,536 0.223,537 19315,538 44786,539 2.15,540 48.4,541 3,542 21,546 3,547 4,550 1.743,551 2.041,552 3.819,553 -0.811,559 92.528,560 1.446,561 3.456,562 4.922,563 5.383,564 5.414,565 5.414,566 3.242,567 4.597,568 5.021,569 4.048,570 2137.58,571 8.737,572 34564.3,574 1,577 384,578 1.301,579 4.989,580 0.176,581 0.008,582 0.073,583 0.036,584 0.043,585 0.02,586 0.02,587 0.012,588 0.007,589 0.008,590 0.402,591 0.5,592 0.88,593 0.467,594 180.279,595 0.015,596 -0.218,597 0.083,598 -0.091,599 0.001,600 -0.012,601 -0.047,602 0.037,603 0.044,604 0.056,605 0.042,606 0.064,607 0.042,608 0.063,609 -0.078,610 -0.016,611 0.071,612 -0.052,613 -0.004,614 -0.134,615 -0.091,616 -0.146,617 -0.002,618 -0.134,619 -0.056,620 0.015,621 0.017,622 0.037,623 -0.022,624 0.037,625 -0.046,626 -0.152,627 -0.059,628 -0.106,629 -0.047,630 -0.09,631 -0.082,632 0.068,633 -0.018,634 0.051,635 -0.099,636 0.029,637 -0.083,638 -0.04,639 -0.131,640 -0.091,641 -0.093,642 -0.114,643 1.662,644 4.931,645 0.788,646 37.947,647 0.995,648 1.124,649 2.823,650 7.967,651 0.657,652 3.638,653 3.97,654 4.248,655 4.5,656 4.762,657 4.779,658 4.86,659 4.977,660 5.063,661 5.088,662 8.898,663 0.618,664 445.61,665 3.638,666 5.187,667 6.043,668 6.919,669 7.786,670 8.664,671 9.536,672 10.414,673 11.288,674 12.167,675 4.7,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 64,716 18,717 2,718 37,720 68,721 27,722 15,723 6,724 6,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 11,747 1,750 1,755 1,759 1,764 31,765 6,767 6,773 3,777 0.6,778 3,786 1,793 5,797 2,806 1,815 1,819 3,823 2,827 33,833 8,835 2,837 1,838 2,847 4.7,850 1,852 2,854 16.167,855 12.1,856 7.139,857 4.04,858 3.431,859 1.406,860 0.991,861 6.522,862 11.885,863 3.861,864 4.443,865 5.006,866 5.565,867 6.131,868 6.345,869 6.618,870 6.926,871 7.151,872 6.914,873 0.9,874 54,875 12.257,877 5.223,878 7.551,879 24.104,881 20.331,883 2.051,884 67.667,888 364.904,889 144.745,890 23.034,892 47.145,895 144.745,896 412.049,897 23.034,898 17.222,899 26.23,900 75.81,901 46.635,902 49.027,904 364.904,906 364.904,907 167.779,908 47.145,911 317.82,912 94.229,915 43.08,916 107.913,917 16.786,919 364.904,920 70.179,921 144.745,924 364.904,925 51.713,926 99.28,928 63.93,929 364.904,930 70.179,931 144.745,933 0.586,934 0.344,935 0.184,936 0.104,937 26,938 11,939 0.088,940 6,941 2,942 1.154,943 4.6,944 299.719,945 0.154,946 26,947 158.465,951 22.183,952 9.702,953 4.997,954 2.058,955 70.179,956 16.465,957 4.592,961 4.895,964 579.828,965 46.5,970 11.931,974 0.005,975 63.658,976 71.936,977 0.241,978 0.576,979 0.82,980 0.897,981 0.902,982 0.902,983 5.113,984 1.878,985 6.023,986 5.724,987 4.654,988 5.13,989 2.548,990 6.821,991 4.575,992 6.3,993 1.69,994 7.574,995 5.291,996 4.205,997 4.934,998 1.738,999 7.676,1000 4.095,1001 7.599,1002 1.524,1003 9.221,1004 4.629,1005 6.24,1006 7.301,1007 3.366,1008 10.769,1009 6.088,1010 8.93,1011 1.228,1012 10.925,1013 3.817,1014 6.594,1015 7.942,1016 3.296,1017 12.453,1018 6.407,1019 10.295,1020 1,1021 12.667,1022 2.714,1023 8.092,1024 9.805,1025 4.567,1026 15.066,1027 7.868,1028 11.682,1029 0.924,1030 14.435,1031 2.275,1032 8.834,1033 10.86,1034 4.854,1035 17.114,1036 8.571,1037 13.089,1038 0.865,1039 16.224,1040 2.227,1041 10.106,1042 12.51,1043 5.902,1044 19.557,1045 9.81,1046 3.118,1047 0.366,1048 18.028,1049 2.002,1050 11.042,1051 13.778,1052 6.37,1053 21.768,1054 10.704,1055 3.054,1056 10.454,1057 19.846,1058 0.896,1059 12.22,1060 15.333,1061 7.288,1062 24.147,1063 11.847,1064 2.701,1065 10.248,1066 21.674,1067 4.458,1068 13.251,1069 16.708,1070 7.856,1071 26.428,1072 12.836,1073 2.454,1074 7.779,1075 23.511,1076 3.988,1077 14.391,1078 18.219,1079 8.696,1080 28.782,1081 13.939,1082 2.339,1083 7.095,1084 25.355,1085 3.17,1086 15.469,1087 19.647,1088 9.324,1089 31.095,1090 14.975,1091 2.218,1092 6.751,1093 27.206,1094 3.093,1095 16.595,1096 21.141,1097 10.117,1098 33.44,1099 16.062,1100 1.948,1101 6.678,1102 29.062,1103 2.754,1104 17.695,1105 22.596,1106 10.781,1107 35.767,1108 17.121,1109 17699,1110 27109,1111 25.255,1112 42.04,1113 55.301,1114 56.833,1115 56.322,1116 55.039,1117 55.016,1118 68.847,1119 10.317,1120 158.091,1121 52.83,1122 5.516,1123 5.793,1124 6.194,1125 5.179,1126 5.118,1127 7.458,1128 3.661,1129 17.586,1130 4.971,1131 13.974,1132 1.495,1133 1.536,1134 1.522,1135 1.488,1136 1.487,1137 1.861,1138 0.279,1139 4.273,1140 1.428,1141 4.081,1142 4.107,1143 4.04,1144 4.002,1145 7.427,1146 4.008,1147 4.003,1148 4.033,1149 3.95,1150 3.912,1151 5.016,1152 3.915,1153 3.845,1154 3.9,1155 3.734,1156 3.694,1157 4.835,1158 3.695,1159 3.579,1160 3.626,1161 3.485,1162 3.431,1163 4.58,1164 3.429,1165 3.53,1166 3.574,1167 3.436,1168 3.363,1169 4.359,1170 3.382,1171 3.415,1172 3.474,1173 3.272,1174 3.242,1175 4.268,1176 3.243,1177 3.164,1178 3.243,1179 3.017,1180 2.969,1181 4.186,1182 2.967,1183 3.117,1184 3.206,1185 2.955,1186 2.941,1187 4.016,1188 2.915,1189 0.122,1190 0.103,1191 0.179,1192 0.11,1193 0.084,1194 4.516,1195 0.12,1196 3.793,1197 0.056,1198 6.614,1199 0.283,1200 4.072,1201 0.08,1202 3.118,1203 4.458,1204 2.055,1205 10.454,1206 2.971,1207 2.032,1208 2.011,1209 2.113,1210 2.125,1211 1.478,1212 2.121,1213 1.965,1214 1.936,1215 2.101,1216 2.087,1217 1.223,1218 2.092,1219 1.816,1220 1.764,1221 1.976,1222 1.997,1223 1.167,1224 1.993,1225 1.542,1226 1.497,1227 1.757,1228 1.743,1229 1.015,1230 1.747,1231 1.495,1232 1.446,1233 1.716,1234 1.676,1235 0.825,1236 1.69,1237 1.4,1238 1.342,1239 1.655,1240 1.599,1241 0.824,1242 1.624,1243 1.153,1244 1.065,1245 1.513,1246 1.426,1247 0.802,1248 1.45,1249 1.139,1250 1.064,1251 1.487,1252 1.376,1253 0.636,1254 1.429,1255 4.317,1257 5.645,1259 7.174,1261 8.795,1263 10.464,1265 3.833,1271 7.339,1273 11.681,1275 0.665,1276 4.204,1280 39.584,1281 92.528,1282 221.203,1283 314.98,1284 344.49,1285 346.49,1286 346.49,1287 50.697,1288 8.454,1289 54.9,1290 54.9,1291 30,1292 12.704,1293 4.248,1294 3.392,1295 48.379,1296 183,1297 151,1298 0.128,1299 238.822,1300 416.77,1301 574.485,1302 72155,1304 22.786,1305 0.69,1306 0.588,1307 22.786,1308 19.419,1309 16.064,1310 0.434,1311 0.319,1312 11.647,1313 15.465,1314 11.322,1315 9.342,1316 16.064,1317 11.805,1318 14.603,1319 0.281,1320 0.176,1321 14.603,1322 9.157,1323 12.601,1324 0.183,1325 0.099,1326 12.601,1327 6.838,1328 10.323,1329 0.116,1330 0.054,1331 10.323,1332 4.831,1333 8.793,1334 0.076,1335 0.031,1336 8.793,1337 3.606,1338 0.21,1339 100.419,1340 0.199,1341 31.565,1342 0.324,1343 178,1344 472.142,1345 193.85,1346 449.945,1347 624.51,1348 426,1349 210,1350 463.644,1351 227.238,1352 468.084,1353 687.75,1354 441,1355 8.6} {0 CHEMBL246598,1 1.431,2 15.118,3 4.637,4 21.499,5 133.22,6 6.86,7 0.447,8 4.29,9 4.409,10 3.802,11 3.825,12 5.273,13 3.792,14 4.881,15 5.066,16 4.162,17 4.231,18 5.806,19 4.177,20 5.16,21 5.377,22 4.252,23 4.414,24 6.087,25 4.327,26 5.223,27 5.456,28 4.136,29 4.434,30 6.072,31 4.301,32 5.252,33 5.513,34 3.997,35 4.369,36 6.051,37 4.215,38 5.136,39 5.399,40 3.878,41 4.248,42 5.897,43 4.091,44 5.033,45 5.296,46 3.832,47 4.164,48 5.784,49 4.021,50 4.993,51 5.242,52 3.847,53 4.17,54 5.751,55 4.032,56 0.033,57 0.948,58 15.163,59 6.542,60 7.467,61 8.84,62 0.28,63 1.592,64 29.392,65 10.706,66 24.749,67 14.995,68 0.593,69 1.996,70 40.029,71 14.082,72 51.392,73 19.922,74 0.351,75 2.039,76 42.321,77 16.542,78 44.082,79 23.11,80 0.447,81 2.011,82 44.755,83 16.434,84 53.882,85 23.22,86 0.376,87 1.814,88 39.767,89 14.467,90 43.145,91 20.693,92 0.393,93 1.681,94 35.881,95 12.592,96 38.51,97 18.193,98 0.338,99 1.619,100 34.056,101 12.619,102 28.664,103 17.889,104 11,105 53,106 0.226,107 0.538,108 0.775,109 0.86,110 0.865,111 0.865,112 3.56,113 0.977,114 -4.25,115 -4.19,116 -3.96,119 41.8,120 2,121 3,122 1,125 6,140 8,141 2,142 3,144 2,156 1,169 11,171 1,172 11,178 13,181 3,182 9,189 10,192 1,193 9,199 11,203 10,211 6,215 11,222 3,225 1,226 7,233 5,236 1,237 3,244 8,248 1,249 5,256 8,259 1988,260 23.403,261 23.403,262 23.403,263 23.403,264 23.403,265 21.261,266 29.028,267 13.722,268 23.94,269 18.707,270 18.707,271 18.707,272 18.707,273 18.707,274 15.369,275 32.708,276 6.433,277 19.525,278 4.636,279 2.658,280 1.157,281 0.62,282 0.59,283 0.59,284 4.272,289 1,290 1138,291 3.24,295 506.781,299 337.494,302 2.405,303 25.152,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 72.5,315 514,316 4.516,317 3.806,318 6.679,319 4.093,320 3.141,321 4.458,322 2.055,323 10.759,324 2.988,325 4.414,326 3.185,327 6.517,328 4.026,329 3.054,330 3.992,331 0.933,332 10.248,333 2.968,334 3.842,335 3.059,336 5.686,337 3.68,338 2.704,339 3.17,340 0.86,341 7.826,342 2.645,343 3.718,344 2.894,345 5.545,346 3.431,347 2.467,348 3.108,349 0.8,350 7.241,351 2.378,352 3.634,353 2.657,354 5.33,355 3.29,356 2.34,357 2.763,358 0.51,359 6.795,360 2.22,361 3.445,362 2.588,363 5.289,364 3.191,365 2.231,366 2.632,368 6.693,369 2.129,370 3.295,371 2.381,372 4.922,373 2.916,374 1.952,375 2.565,377 5.729,378 1.877,379 3.079,380 2.167,381 4.813,382 2.838,383 1.879,384 2.22,386 5.291,387 1.796,388 2.992,389 2.055,390 4.641,391 2.679,392 1.722,393 2.112,395 4.697,396 1.627,397 2.987,398 1.599,399 4.196,400 2.512,401 1.524,402 2.087,404 3.817,405 1.504,406 2.491,407 1.472,408 3.706,409 2.16,410 1.228,411 1.488,413 2.714,414 1.134,415 2.34,416 1.445,417 3.527,418 2.029,419 1.051,420 1.299,422 2.478,423 1.024,424 2.139,425 1.163,426 3.414,427 1.984,428 1,429 1.083,431 2.275,432 0.983,433 2,434 1.077,435 3.317,436 1.838,437 0.868,438 1,440 2.005,441 0.839,442 1.852,443 0.964,444 3.117,445 1.588,446 0.648,447 0.726,449 1.301,450 0.6,451 16.2,452 0.476,453 0.742,454 0.022,455 41.25,456 1.213,457 19,458 0.559,459 22.25,460 0.654,461 33.316,462 0.98,463 37.2,464 0.555,465 29.654,466 0.872,467 7.763,468 0.228,469 8.839,470 0.26,471 0.082,473 0.327,479 0.782,480 1.406,481 0.838,482 1.195,483 0.608,484 1.049,485 1.111,486 1.138,487 0.937,488 0.989,489 0.673,490 0.94,491 1.091,492 0.938,493 1.031,494 0.936,495 0.935,496 0.959,497 0.872,498 1.113,499 1.037,500 1.163,501 0.862,502 1.133,503 1.083,504 0.965,505 1.038,506 1.004,507 1.089,508 1.018,509 1.008,510 1.056,511 1.035,512 1.042,513 0.814,514 1.047,515 1.034,516 0.963,517 1.048,518 0.962,519 0.984,520 0.996,521 0.975,522 0.985,523 1.043,524 1.023,525 0.832,526 1.039,527 6.5,528 0.194,529 3.778,530 2.063,531 1.947,532 0.854,533 0.726,534 0.392,535 0.225,536 0.233,537 20664,538 46781,539 2.145,540 49.3,541 3,542 20,546 3,547 7,550 1.751,551 2.04,552 3.821,553 -0.817,559 95.847,560 1.431,561 3.408,562 4.909,563 5.447,564 5.476,565 5.476,566 3.242,567 4.455,568 5.064,569 4.068,570 2282.08,571 8.826,572 37731.4,577 406.428,578 1.286,579 5.033,580 0.171,581 0.008,582 0.071,583 0.037,584 0.041,585 0.021,586 0.02,587 0.011,588 0.006,589 0.008,590 0.394,591 0.33,592 0.88,593 0.608,594 187.364,595 0.019,596 -0.211,597 0.082,598 -0.087,599 0.003,600 -0.01,601 -0.03,602 -0.017,603 0.043,604 0.022,605 0.046,606 0.04,607 0.039,608 0.13,609 -0.035,610 0.046,611 0.058,612 0.009,613 0.008,614 -0.131,615 -0.074,616 -0.143,617 0.032,618 -0.124,619 -0.086,620 -0.027,621 -0.05,622 -0.019,623 -0.081,624 -0.029,625 -0.069,626 -0.109,627 -0.052,628 -0.061,629 -0.052,630 -0.059,631 -0.083,632 0.025,633 -0.059,634 0.001,635 -0.11,636 -0.023,637 -0.061,638 0.002,639 -0.067,640 -0.033,641 -0.062,642 -0.049,643 1.627,644 5.162,645 0.765,646 40,647 0.993,648 1.125,649 3.021,650 9.125,651 0.654,652 3.664,653 3.989,654 4.277,655 4.543,656 4.796,657 4.82,658 4.905,659 5.03,660 5.1,661 5.142,662 9.043,663 0.614,664 459.64,665 3.664,666 5.209,667 6.066,668 6.944,669 7.813,670 8.694,671 9.567,672 10.448,673 11.324,674 12.206,675 4.5,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 67,716 18,717 2,718 38,720 71,721 28,722 15,723 6,724 6,730 5,731 7,736 2,740 2,741 1,743 3,745 16,746 12,747 1,750 1,755 1,759 1,764 33,765 6,767 6,773 3,777 0.6,778 3,786 1,793 5,797 2,806 1,815 1,819 3,823 2,827 34,833 9,835 2,837 1,838 2,847 4.5,850 1,852 2,854 16.667,855 12.6,856 7.472,857 4.44,858 3.43,859 1.402,860 0.987,861 7.028,862 11.965,863 3.882,864 4.454,865 5.019,866 5.588,867 6.146,868 6.365,869 6.64,870 6.957,871 7.17,872 6.952,873 0.9,874 56,875 12.643,877 5.371,878 7.534,879 24.921,881 20.986,883 2.034,884 69.167,888 388.446,889 147.279,890 23.034,892 47.145,895 147.279,896 435.591,897 23.034,898 17.65,899 28.335,900 75.81,901 46.635,902 49.027,904 388.446,906 388.446,907 170.313,908 47.145,911 306.049,912 129.542,915 54.011,916 99.517,917 16.786,919 388.446,920 70.179,921 147.279,924 388.446,925 53.819,926 99.709,928 63.93,929 388.446,930 70.179,931 147.279,933 0.58,934 0.346,935 0.191,936 0.106,937 26,938 11,939 0.099,940 7,941 2,942 1.154,943 4.661,944 312.37,945 0.154,946 26,947 164.974,951 23.134,952 10.33,953 5.238,954 2.059,955 70.179,956 16.54,957 4.597,961 4.96,964 605.904,965 47.5,970 12.162,974 0.039,975 66.541,976 75.351,977 0.236,978 0.562,979 0.809,980 0.898,981 0.903,982 0.903,983 5.131,984 1.879,985 6.043,986 5.729,987 4.673,988 5.142,989 2.548,990 6.845,991 4.594,992 6.312,993 1.722,994 7.593,995 5.291,996 4.205,997 4.934,998 1.738,999 7.719,1000 4.095,1001 7.61,1002 1.524,1003 9.242,1004 4.697,1005 6.26,1006 7.308,1007 3.366,1008 10.814,1009 6.105,1010 8.941,1011 1.228,1012 10.948,1013 3.817,1014 6.608,1015 7.945,1016 3.296,1017 12.532,1018 6.418,1019 10.305,1020 1.051,1021 12.694,1022 2.714,1023 8.114,1024 9.809,1025 4.567,1026 15.145,1027 7.886,1028 11.693,1029 1,1030 14.466,1031 2.478,1032 8.858,1033 10.864,1034 4.854,1035 17.227,1036 8.59,1037 13.101,1038 0.868,1039 16.26,1040 2.275,1041 10.135,1042 12.514,1043 5.902,1044 19.677,1045 9.831,1046 3.141,1047 0.648,1048 18.07,1049 2.005,1050 11.076,1051 13.782,1052 6.37,1053 21.916,1054 10.729,1055 3.054,1056 10.759,1057 19.893,1058 1.301,1059 12.256,1060 15.336,1061 7.288,1062 24.308,1063 11.874,1064 2.704,1065 10.248,1066 21.728,1067 4.458,1068 13.293,1069 16.711,1070 7.856,1071 26.615,1072 12.867,1073 2.467,1074 7.826,1075 23.571,1076 3.992,1077 14.436,1078 18.222,1079 8.696,1080 28.986,1081 13.972,1082 2.34,1083 7.241,1084 25.422,1085 3.17,1086 15.52,1087 19.651,1088 9.324,1089 31.322,1090 15.011,1091 2.231,1092 6.795,1093 27.28,1094 3.108,1095 16.65,1096 21.144,1097 10.117,1098 33.686,1099 16.102,1100 1.952,1101 6.693,1102 29.143,1103 2.763,1104 17.756,1105 22.599,1106 10.781,1107 36.036,1108 17.164,1109 19021,1110 28774,1111 25.948,1112 43.802,1113 56.276,1114 57.884,1115 57.959,1116 56.111,1117 56.131,1118 69.961,1119 10.317,1120 160.967,1121 53.908,1122 5.516,1123 5.806,1124 6.259,1125 5.201,1126 5.141,1127 7.458,1128 3.661,1129 17.902,1130 4.988,1131 14.318,1132 1.481,1133 1.523,1134 1.525,1135 1.477,1136 1.477,1137 1.841,1138 0.271,1139 4.236,1140 1.419,1141 4.082,1142 4.108,1143 4.041,1144 4.002,1145 7.427,1146 4.008,1147 4.007,1148 4.036,1149 3.954,1150 3.914,1151 5.016,1152 3.918,1153 3.847,1154 3.904,1155 3.736,1156 3.696,1157 4.833,1158 3.697,1159 3.599,1160 3.652,1161 3.5,1162 3.433,1163 4.58,1164 3.435,1165 3.539,1166 3.586,1167 3.44,1168 3.406,1169 4.358,1170 3.412,1171 3.427,1172 3.493,1173 3.277,1174 3.26,1175 4.268,1176 3.255,1177 3.34,1178 3.397,1179 3.153,1180 3.128,1181 4.186,1182 3.125,1183 3.125,1184 3.206,1185 3.003,1186 2.965,1187 4.093,1188 2.961,1189 0.119,1190 0.1,1191 0.176,1192 0.108,1193 0.083,1194 4.516,1195 0.117,1196 3.806,1197 0.054,1198 6.679,1199 0.283,1200 4.093,1201 0.079,1202 3.141,1203 4.458,1204 2.055,1205 10.759,1206 2.988,1207 2.032,1208 2.011,1209 2.113,1210 2.125,1211 1.479,1212 2.121,1213 1.966,1214 1.938,1215 2.101,1216 2.089,1217 1.223,1218 2.094,1219 1.819,1220 1.766,1221 1.983,1222 2.001,1223 1.184,1224 1.998,1225 1.558,1226 1.505,1227 1.811,1228 1.766,1229 1.042,1230 1.78,1231 1.53,1232 1.48,1233 1.749,1234 1.695,1235 0.952,1236 1.714,1237 1.427,1238 1.361,1239 1.695,1240 1.621,1241 0.825,1242 1.651,1243 1.307,1244 1.251,1245 1.565,1246 1.554,1247 0.805,1248 1.563,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.75,1254 1.429,1255 4.344,1257 5.666,1259 7.194,1261 8.817,1263 10.488,1265 4.022,1271 8.035,1273 11.753,1275 0.665,1276 4.334,1280 41.111,1281 95.847,1282 228.332,1283 328.918,1284 364.918,1285 366.918,1286 366.918,1287 53.743,1288 8.535,1289 54.9,1290 54.9,1291 30,1292 12.741,1293 4.248,1294 3.392,1295 50.547,1296 193,1297 160,1298 0.127,1299 248.414,1300 434.07,1301 597.89,1302 79537,1304 23.493,1305 0.691,1306 0.592,1307 23.493,1308 20.126,1309 16.602,1310 0.437,1311 0.326,1312 12.227,1313 16.002,1314 11.906,1315 9.822,1316 16.602,1317 12.381,1318 14.816,1319 0.28,1320 0.176,1321 14.816,1322 9.342,1323 12.781,1324 0.18,1325 0.099,1326 12.781,1327 7.01,1328 10.859,1329 0.117,1330 0.055,1331 10.859,1332 5.108,1333 9.059,1334 0.075,1335 0.031,1336 9.059,1337 3.722,1338 0.21,1339 103.562,1340 0.196,1341 32.307,1342 0.324,1343 182,1344 476.142,1345 198.183,1346 453.498,1347 631.65,1348 430,1349 215,1350 470.996,1351 232.405,1352 473.465,1353 698.67,1354 448,1355 8.8} {0 CHEMBL246599,1 1.466,2 15.686,3 4.044,4 16.352,5 137.021,6 6.879,7 0.436,8 4.323,9 4.446,10 3.836,11 3.831,12 5.307,13 3.804,14 4.913,15 5.107,16 4.187,17 4.224,18 5.841,19 4.181,20 5.168,21 5.384,22 4.277,23 4.405,24 6.106,25 4.328,26 5.239,27 5.476,28 4.173,29 4.432,30 6.082,31 4.309,32 5.264,33 5.52,34 4.081,35 4.389,36 6.087,37 4.252,38 5.182,39 5.433,40 3.974,41 4.295,42 6.012,43 4.15,44 5.111,45 5.381,46 3.898,47 4.204,48 5.871,49 4.063,50 5.018,51 5.268,52 3.886,53 4.181,54 5.778,55 4.05,56 0.028,57 1.006,58 15.708,59 6.466,60 7.404,61 8.918,62 0.33,63 1.659,64 30.667,65 10.138,66 25.784,67 14.694,68 0.639,69 2.025,70 40.458,71 13.523,72 52.148,73 19.461,74 0.387,75 2.073,76 43.265,77 16,78 42.433,79 22.782,80 0.482,81 2.044,82 45.281,83 16.067,84 52.005,85 22.942,86 0.516,87 1.893,88 41.719,89 14.563,90 52.522,91 20.988,92 0.504,93 1.784,94 39.187,95 12.942,96 43.541,97 19.18,98 0.353,99 1.673,100 34.97,101 12.266,102 27.416,103 17.826,104 12,105 54,106 0.23,107 0.523,108 0.744,109 0.842,110 0.865,111 0.865,112 3.588,113 0.97,114 -3.49,115 -3.47,116 -3.31,119 40.6,120 2,121 1,125 9,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 10,178 7,181 4,182 11,189 5,192 1,193 8,199 6,202 1,203 7,211 5,214 2,215 7,222 4,225 2,226 4,233 1,236 1,237 4,248 1,249 5,259 2221,260 24.11,261 24.11,262 24.11,263 24.11,264 24.11,265 21.968,266 31.529,267 14.335,268 24.722,269 19.245,270 19.245,271 19.245,272 19.245,273 19.245,274 15.907,275 42.395,276 6.743,277 20.231,278 4.643,279 2.779,280 1.37,281 0.747,282 0.602,283 0.602,284 4.3,289 1,290 1211,291 3.391,295 524.701,299 349.564,302 2.491,303 26.365,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 75,315 549,316 4.516,317 3.808,318 6.683,319 4.095,320 3.144,321 4.458,322 2.055,323 10.785,324 2.986,325 4.416,326 3.186,327 6.517,328 4.026,329 3.054,330 3.993,331 0.933,332 10.248,333 2.968,334 3.844,335 3.108,336 5.69,337 3.641,338 2.704,339 3.17,340 0.916,341 7.835,342 2.547,343 3.718,344 2.971,345 5.546,346 3.432,347 2.47,348 3.11,349 0.86,350 7.266,351 2.361,352 3.636,353 2.718,354 5.33,355 3.289,356 2.341,357 2.764,358 0.8,359 6.8,360 2.218,361 3.445,362 2.592,363 5.289,364 3.179,365 2.234,366 2.632,367 0.51,368 6.694,369 2.108,370 3.295,371 2.404,372 4.922,373 2.895,374 1.954,375 2.565,376 0.172,377 5.73,378 1.834,379 3.079,380 2.247,381 4.813,382 2.831,383 1.879,384 2.22,386 5.291,387 1.78,388 3,389 2.138,390 4.646,391 2.706,392 1.741,393 2.115,395 4.723,396 1.66,397 2.988,398 1.602,399 4.196,400 2.512,401 1.524,402 2.09,404 3.817,405 1.504,406 2.491,407 1.517,408 3.786,409 2.261,410 1.273,411 1.488,413 2.807,414 1.255,415 2.474,416 1.463,417 3.527,418 2.157,419 1.228,420 1.462,422 2.714,423 1.131,424 2.141,425 1.269,426 3.414,427 1.967,428 1,429 1.085,431 2.275,432 0.965,433 2.009,434 1.146,435 3.318,436 1.84,437 0.873,438 1,440 2.008,441 0.84,442 2,443 0.968,444 3.215,445 1.774,446 0.83,447 0.953,449 1.744,450 0.776,451 16.6,452 0.474,453 0.742,454 0.021,455 42.5,456 1.214,457 19,458 0.543,459 23.5,460 0.671,461 33.572,462 0.959,463 38.6,464 0.559,465 31.958,466 0.913,467 8.288,468 0.237,469 8.813,470 0.252,471 0.08,473 0.313,479 0.809,480 1.522,481 0.836,482 1.245,483 0.613,484 1.073,485 1.221,486 1.124,487 0.956,488 0.934,489 0.704,490 0.898,491 1.129,492 0.951,493 1.047,494 0.942,495 0.966,496 0.965,497 0.921,498 1.092,499 1.016,500 1.122,501 0.891,502 1.091,503 1.086,504 0.952,505 1.021,506 1.001,507 1.076,508 1.006,509 1.076,510 1.103,511 1.102,512 1.101,513 1.185,514 1.114,515 1.026,516 0.952,517 1.024,518 0.931,519 0.942,520 0.969,521 0.98,522 1.043,523 1.071,524 1.059,525 0.712,526 1.071,527 6.5,528 0.202,529 3.778,530 2.063,531 2.027,532 0.882,533 0.786,534 0.42,535 0.225,536 0.233,537 22165,538 50344,539 2.141,540 49.3,541 3,542 26,546 3,547 2,550 1.759,551 2.039,552 3.87,553 -0.794,559 101.154,560 1.466,561 3.33,562 4.739,563 5.362,564 5.507,565 5.507,566 3.34,567 4.958,568 5.105,569 4.102,570 2440.89,571 8.912,572 41246.5,577 421.488,578 1.271,579 5.076,580 0.167,581 0.008,582 0.07,583 0.036,584 0.041,585 0.02,586 0.02,587 0.011,588 0.006,589 0.007,590 0.386,591 0.5,592 0.75,593 0.743,594 194.621,595 0.016,596 -0.294,597 0.087,598 -0.128,600 -0.031,601 -0.078,602 0.022,603 0.038,604 0.057,605 0.026,606 0.066,607 0.032,608 0.132,609 -0.047,610 0.037,611 0.051,612 -0.003,613 -0.008,614 -0.099,615 -0.048,616 -0.106,617 0.015,618 -0.086,619 -0.071,621 -0.033,622 -0.012,623 -0.054,624 -0.017,625 -0.029,626 -0.143,627 -0.112,628 -0.115,629 -0.103,630 -0.129,631 -0.045,632 0.023,633 -0.03,634 0.022,635 -0.074,637 -0.074,638 -0.038,639 -0.095,640 -0.073,641 -0.058,642 -0.085,643 1.623,644 5.311,645 0.743,646 42.496,647 0.995,648 1.128,649 2.262,650 5.115,651 0.649,652 3.689,653 4.007,654 4.29,655 4.564,656 4.828,657 4.852,658 4.942,659 5.069,660 5.147,661 5.176,662 9.224,663 0.611,664 474.66,665 3.689,666 5.231,667 6.084,668 6.961,669 7.83,670 8.71,671 9.584,672 10.466,673 11.342,674 12.224,675 5.8,678 2,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 69,716 18,717 2,718 39,720 73,721 28,722 15,723 6,724 6,730 5,731 7,736 2,743 1,745 16,746 12,750 1,755 1,759 1,764 34,765 7,767 7,773 4,777 0.6,778 3,786 1,793 5,797 2,806 1,815 2,819 3,823 2,827 35,833 10,835 2,838 3,847 4.3,850 1,852 2,854 17.167,855 12.967,856 7.722,857 4.49,858 3.429,859 1.398,860 0.988,861 7.52,862 12.04,863 3.902,864 4.466,865 5.026,866 5.595,867 6.158,868 6.377,869 6.655,870 6.973,871 7.194,872 6.975,873 1,874 57,875 13.009,877 5.487,878 7.538,879 25.578,881 21.263,883 2.038,884 71.333,888 400.217,889 148.527,890 26.158,892 47.145,895 148.527,896 447.362,897 26.158,898 17.65,899 29.584,900 75.81,901 46.635,902 52.151,904 400.217,906 400.217,907 174.686,908 47.145,911 376.675,912 70.687,915 58.383,916 99.517,917 16.786,919 400.217,920 73.303,921 148.527,924 400.217,925 55.067,926 102.833,928 63.93,929 400.217,930 73.303,931 148.527,933 0.576,934 0.34,935 0.191,936 0.111,937 26,938 11,939 0.11,940 8,941 2,942 1.154,943 4.74,944 324.081,945 0.154,946 26,947 170.77,951 24.051,952 10.944,953 5.61,954 2.046,955 73.303,956 16.45,957 4.595,961 4.863,964 622.048,965 48.5,970 12.311,974 0.044,975 68.643,976 77.849,977 0.24,978 0.545,979 0.776,980 0.878,981 0.902,982 0.902,983 5.149,984 1.879,985 6.057,986 5.73,987 4.691,988 5.153,989 2.659,990 6.855,991 4.596,992 6.325,993 1.741,994 7.603,995 5.291,996 4.205,997 4.934,998 1.803,999 7.719,1000 4.067,1001 7.62,1002 1.524,1003 9.249,1004 4.723,1005 6.271,1006 7.312,1007 3.398,1008 10.822,1009 6.083,1010 8.948,1011 1.273,1012 10.954,1013 3.817,1014 6.608,1015 7.945,1016 3.314,1017 12.537,1018 6.379,1019 10.31,1020 1.228,1021 12.698,1022 2.807,1023 8.122,1024 9.811,1025 4.575,1026 15.154,1027 7.847,1028 11.697,1029 1,1030 14.47,1031 2.714,1032 8.86,1033 10.865,1034 4.857,1035 17.236,1036 8.545,1037 13.104,1038 0.873,1039 16.263,1040 2.275,1041 10.141,1042 12.515,1043 5.904,1044 19.688,1045 9.785,1046 3.144,1047 0.83,1048 18.073,1049 2.008,1050 11.08,1051 13.783,1052 6.371,1053 21.93,1054 10.683,1055 3.054,1056 10.785,1057 19.897,1058 1.744,1059 12.262,1060 15.337,1061 7.288,1062 24.322,1063 11.827,1064 2.704,1065 10.248,1066 21.731,1067 4.458,1068 13.299,1069 16.712,1070 7.856,1071 26.632,1072 12.822,1073 2.47,1074 7.835,1075 23.575,1076 3.993,1077 14.443,1078 18.223,1079 8.696,1080 29.004,1081 13.927,1082 2.341,1083 7.266,1084 25.426,1085 3.17,1086 15.527,1087 19.651,1088 9.324,1089 31.343,1090 14.969,1091 2.234,1092 6.8,1093 27.284,1094 3.11,1095 16.658,1096 21.144,1097 10.117,1098 33.708,1099 16.06,1100 1.954,1101 6.694,1102 29.147,1103 2.764,1104 17.764,1105 22.599,1106 10.781,1107 36.06,1108 17.124,1109 20486,1110 31030,1111 26.641,1112 44.807,1113 57.697,1114 59.185,1115 59.15,1116 57.537,1117 57.502,1118 71.333,1119 12.494,1120 163.701,1121 54.815,1122 5.516,1123 5.808,1124 6.441,1125 5.203,1126 5.144,1127 7.458,1128 3.661,1129 17.93,1130 4.986,1131 14.649,1132 1.479,1133 1.518,1134 1.517,1135 1.475,1136 1.474,1137 1.829,1138 0.32,1139 4.197,1140 1.406,1141 4.081,1142 4.107,1143 4.04,1144 4.001,1145 7.427,1146 4.007,1147 4.001,1148 4.032,1149 3.952,1150 3.896,1151 5.016,1152 3.905,1153 3.827,1154 3.894,1155 3.718,1156 3.624,1157 4.834,1158 3.637,1159 3.629,1160 3.691,1161 3.516,1162 3.472,1163 4.581,1164 3.469,1165 3.543,1166 3.591,1167 3.441,1168 3.427,1169 4.387,1170 3.422,1171 3.461,1172 3.518,1173 3.301,1174 3.264,1175 4.269,1176 3.269,1177 3.387,1178 3.442,1179 3.244,1180 3.188,1181 4.195,1182 3.194,1183 3.112,1184 3.206,1185 2.997,1186 2.956,1187 4.139,1188 2.949,1189 0.116,1190 0.098,1191 0.171,1192 0.105,1193 0.081,1194 4.516,1195 0.114,1196 3.808,1197 0.053,1198 6.683,1199 0.277,1200 4.095,1201 0.077,1202 3.144,1203 4.458,1204 2.055,1205 10.785,1206 2.986,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.343,1212 2.12,1213 1.946,1214 1.92,1215 2.058,1216 2.085,1217 1.227,1218 2.078,1219 1.773,1220 1.704,1221 1.972,1222 1.996,1223 1.216,1224 1.991,1225 1.621,1226 1.555,1227 1.885,1228 1.805,1229 1.106,1230 1.834,1231 1.534,1232 1.489,1233 1.744,1234 1.708,1235 0.96,1236 1.718,1237 1.424,1238 1.369,1239 1.676,1240 1.645,1241 0.825,1242 1.658,1243 1.351,1244 1.297,1245 1.59,1246 1.577,1247 0.805,1248 1.589,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.774,1254 1.429,1255 4.369,1257 5.687,1259 7.209,1261 8.828,1263 10.498,1265 4.103,1271 8.33,1273 11.779,1276 6.813,1280 42.132,1281 101.154,1282 229.767,1283 326.959,1284 369.978,1285 379.978,1286 379.978,1287 54.565,1288 8.611,1289 58.14,1290 58.14,1291 30,1292 12.76,1293 4.248,1294 3.392,1295 52.749,1296 201,1297 172,1298 0.127,1299 255.208,1300 445.07,1301 614.468,1302 87316,1304 24.2,1305 0.691,1306 0.592,1307 24.2,1308 20.703,1309 17.102,1310 0.439,1311 0.323,1312 12.42,1313 16.409,1314 12.095,1315 9.991,1316 17.102,1317 12.605,1318 15.197,1319 0.281,1320 0.174,1321 15.197,1322 9.378,1323 12.931,1324 0.18,1325 0.094,1326 12.931,1327 6.781,1328 10.986,1329 0.116,1330 0.051,1331 10.986,1332 4.883,1333 9.438,1334 0.076,1335 0.029,1336 9.438,1337 3.579,1338 0.209,1339 107.174,1340 0.194,1341 33.072,1342 0.322,1343 186,1344 499.787,1345 204.265,1346 474.496,1347 659.07,1348 450,1349 219,1350 489.109,1351 239.291,1352 491.694,1353 725.92,1354 464,1355 8.7} {0 CHEMBL247428,1 1.599,2 15.059,3 3.377,4 11.403,5 127.965,6 7.374,7 0.447,8 4.251,9 4.367,10 3.818,11 3.75,12 5.307,13 3.742,14 4.834,15 5.02,16 4.19,17 4.144,18 5.853,19 4.129,20 5.079,21 5.272,22 4.297,23 4.331,24 6.172,25 4.28,26 5.171,27 5.398,28 4.167,29 4.339,30 6.124,31 4.234,32 5.186,33 5.45,34 4.021,35 4.243,36 6.107,37 4.127,38 5.018,39 5.263,40 3.939,41 4.116,42 6.04,43 4.004,44 4.961,45 5.22,46 3.874,47 4.049,48 5.864,49 3.95,50 4.896,51 5.125,52 3.849,53 4.065,54 5.809,55 3.96,56 0.035,57 0.994,58 13.165,59 5.825,60 6.14,61 7.578,62 0.385,63 1.619,64 27.07,65 9.066,66 25.195,67 12.39,68 0.793,69 1.982,70 35.614,71 12.327,72 63.39,73 16.536,74 0.505,75 2.065,76 40.077,77 14.96,78 54.723,79 20.484,80 0.772,81 2.051,82 43.741,83 14.518,84 74.057,85 19.898,86 0.683,87 1.763,88 35.802,89 12.173,90 86.223,91 16.904,92 0.617,93 1.69,94 34.341,95 10.848,96 60.362,97 15.169,98 0.53,99 1.601,100 30.864,101 10.809,102 47.167,103 14.66,104 17,105 54,106 0.255,107 0.562,108 0.761,109 0.84,110 0.86,111 0.86,112 3.56,113 0.918,114 -3.46,115 -3.44,116 -3.29,119 41.3,120 1,124 1,125 8,140 7,141 2,142 4,144 2,156 1,169 6,171 1,172 8,178 6,181 4,182 9,189 4,192 1,193 6,199 5,202 1,203 4,211 2,214 2,215 6,222 1,225 2,226 2,236 1,237 3,248 1,249 5,259 1964,260 23.032,261 23.032,262 23.032,263 23.032,264 23.032,265 20.838,266 30.332,267 13.399,268 23.69,269 18.744,270 18.744,271 18.744,272 18.744,273 18.744,274 15.3,275 41.299,276 6.374,277 19.806,278 4.379,279 2.461,280 1.212,281 0.722,282 0.595,283 0.595,284 4.269,288 1,289 1,290 1134,291 3.162,295 504.271,299 336.126,302 2.349,303 36.334,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.5,315 512,316 4.516,317 3.806,318 6.74,319 4.137,320 3.189,321 4.458,322 2.055,323 10.908,324 3.019,325 4.495,326 3.293,327 6.517,328 4.026,329 3.054,330 4.141,331 0.933,332 10.248,333 2.968,334 3.869,335 3.186,336 5.884,337 3.642,338 2.704,339 3.17,340 0.916,341 7.991,342 2.548,343 3.721,344 3.026,345 5.593,346 3.492,347 2.54,348 3.126,349 0.86,350 7.598,351 2.397,352 3.689,353 2.728,354 5.336,355 3.297,356 2.356,357 2.873,358 0.8,359 6.886,360 2.22,361 3.485,362 2.593,363 5.303,364 3.24,365 2.299,366 2.633,367 0.51,368 6.704,369 2.157,370 3.296,371 2.513,372 4.983,373 2.911,374 1.973,375 2.576,376 0.172,377 5.798,378 1.841,379 3.197,380 2.285,381 4.934,382 2.837,383 1.882,384 2.384,386 5.323,387 1.786,388 3.075,389 2.145,390 4.813,391 2.785,392 1.803,393 2.219,395 5.29,396 1.748,397 2.989,398 2.04,399 4.196,400 2.512,401 1.524,402 2.102,404 3.817,405 1.504,406 2.492,407 1.601,408 4.089,409 2.188,410 1.313,411 1.489,413 3.351,414 1.144,415 2.401,416 1.465,417 3.527,418 2.146,419 1.224,420 1.392,422 2.712,423 1.112,424 2.137,425 1.291,426 3.414,427 1.967,428 1,429 1.081,431 2.275,432 0.965,433 2,434 1.146,435 3.32,436 1.835,437 0.866,438 1,440 2.003,441 0.836,442 1.701,443 0.967,444 3.162,445 1.353,446 0.392,447 0.458,449 0.983,450 0.371,451 15.886,452 0.467,453 0.87,454 0.026,455 42.25,456 1.243,457 19,458 0.559,459 23.25,460 0.684,461 31.008,462 0.912,463 37.514,464 0.595,465 32.983,466 0.97,467 8.553,468 0.252,469 7.921,470 0.233,471 0.102,473 0.359,477 1,479 0.715,480 1.372,481 0.751,482 1.227,483 0.539,484 1.037,485 1.047,486 1.004,487 0.876,488 0.864,489 0.607,490 0.821,491 0.963,492 0.965,493 1.044,494 1.001,495 0.856,496 1.021,497 0.807,498 1.091,499 0.986,500 1.193,501 0.803,502 1.149,503 1.133,504 0.937,505 1.029,506 0.925,507 1.109,508 0.954,509 0.918,510 1.127,511 1.041,512 1.093,513 0.885,514 1.097,515 1.126,516 0.982,517 1.057,518 0.892,519 1.196,520 0.939,521 1.075,522 1.002,523 1.175,524 1.098,525 1.016,526 1.147,527 7,528 0.198,529 4,530 2.375,531 2.138,532 0.993,533 0.767,534 0.408,535 0.27,536 0.243,537 20448,538 53281,539 2.127,540 46,542 26,546 3,550 1.752,551 2,552 3.814,553 -0.758,555 1,559 100.721,560 1.599,561 3.517,562 4.765,563 5.255,564 5.382,565 5.382,566 3.223,567 4.455,568 5.064,569 4.049,570 2271.59,571 8.827,572 37330.6,577 376.569,578 1.379,579 5.023,580 0.184,581 0.008,582 0.074,583 0.042,584 0.045,585 0.024,586 0.021,587 0.011,588 0.008,589 0.008,590 0.425,591 0.5,592 0.75,593 0.513,594 187.004,595 -0.014,596 -0.264,597 0.078,598 -0.138,599 -0.016,600 -0.036,601 -0.102,602 0.032,603 0.058,604 0.107,605 0.016,606 0.122,607 0.067,608 0.078,609 -0.091,610 -0.016,611 0.059,612 -0.068,613 0.036,614 -0.164,615 -0.035,616 -0.177,617 0.021,618 -0.137,619 -0.066,620 0.064,621 -0.006,622 0.052,623 -0.07,624 0.037,625 0.071,626 -0.116,627 -0.048,628 -0.107,629 0.101,630 -0.107,631 -0.098,632 0.059,633 -0.045,634 0.059,635 -0.115,636 0.028,637 -0.092,638 0.039,639 -0.203,640 -0.102,641 -0.114,642 -0.163,643 2.082,644 6.537,645 0.765,646 39.294,647 1.006,648 1.133,649 2.231,650 4.978,651 0.654,652 3.664,653 4.007,654 4.29,655 4.554,656 4.812,657 4.86,658 4.927,659 5.03,660 5.118,661 5.153,662 8.94,663 0.626,664 464.59,665 3.664,666 5.22,667 6.08,668 6.963,669 7.836,670 8.721,671 9.598,672 10.485,673 11.364,674 12.252,675 6.3,678 2,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 63,716 18,717 2,718 38,720 67,721 26,722 15,723 7,724 5,730 5,731 7,736 1,745 16,746 10,750 1,755 1,759 1,761 1,762 1,764 29,765 8,767 8,773 4,777 0.6,778 3,786 1,793 5,797 2,806 1,815 2,819 3,823 2,825 1,827 34,833 8,835 2,838 3,846 1,847 4.8,850 1,852 2,854 17,855 12.026,856 7.333,857 3.827,858 3.429,859 1.403,860 0.996,861 6.685,862 11.947,863 3.882,864 4.477,865 5.045,866 5.613,867 6.17,868 6.414,869 6.66,870 6.964,871 7.179,872 6.967,873 0.9,874 57,875 12.671,877 5.473,878 7.735,879 24.367,881 20.316,883 2.235,884 76,888 341.362,889 143.103,890 26.158,892 47.145,893 14.96,895 143.103,896 388.507,897 41.119,898 17.222,899 24.943,900 66.334,901 46.635,902 61.272,903 14.96,904 341.362,906 341.362,907 169.261,908 62.105,911 356.322,912 47.145,915 44.918,916 107.558,917 16.786,919 356.322,920 73.303,921 143.103,924 341.362,925 59.548,926 92.928,928 78.89,929 341.362,930 88.263,931 143.103,933 0.589,934 0.347,935 0.187,936 0.105,937 27,938 12,939 0.09,940 6,941 2,942 1.154,943 4.622,944 314.836,945 0.154,946 26,947 166.974,951 23.035,952 9.867,953 5.049,954 1.986,955 88.263,956 13.42,957 4.568,961 2.952,964 572.728,965 47.5,970 11.91,974 -0.172,975 63.389,976 71.359,977 0.267,978 0.588,979 0.797,980 0.879,981 0.9,982 0.9,983 5.143,984 1.882,985 6.071,986 5.798,987 4.691,988 5.165,989 2.659,990 6.884,991 4.586,992 6.339,993 1.803,994 7.633,995 5.323,996 4.29,997 5.027,998 1.803,999 7.771,1000 4.137,1001 7.647,1002 1.524,1003 9.292,1004 5.29,1005 6.293,1006 7.354,1007 3.398,1008 10.876,1009 6.092,1010 8.987,1011 1.313,1012 11.008,1013 3.817,1014 6.686,1015 8.039,1016 3.314,1017 12.587,1018 6.437,1019 10.36,1020 1.224,1021 12.76,1022 3.351,1023 8.165,1024 9.877,1025 4.575,1026 15.22,1027 7.875,1028 11.756,1029 1,1030 14.539,1031 2.712,1032 8.938,1033 10.963,1034 4.857,1035 17.295,1036 8.601,1037 13.171,1038 0.866,1039 16.339,1040 2.275,1041 10.205,1042 12.601,1043 5.904,1044 19.762,1045 9.828,1046 3.189,1047 0.392,1048 18.154,1049 2.003,1050 11.166,1051 13.888,1052 6.371,1053 22.001,1054 10.742,1055 3.054,1056 10.908,1057 19.982,1058 0.983,1059 12.346,1060 15.436,1061 7.288,1062 24.407,1063 11.882,1064 2.704,1065 10.248,1066 21.82,1067 4.458,1068 13.397,1069 16.821,1070 7.856,1071 26.718,1072 12.888,1073 2.54,1074 7.991,1075 23.668,1076 4.141,1077 14.545,1078 18.329,1079 8.696,1080 29.102,1081 13.995,1082 2.356,1083 7.598,1084 25.524,1085 3.17,1086 15.642,1087 19.762,1088 9.324,1089 31.446,1090 15.045,1091 2.299,1092 6.886,1093 27.386,1094 3.126,1095 16.78,1096 21.254,1097 10.117,1098 33.822,1099 16.14,1100 1.973,1101 6.704,1102 29.253,1103 2.873,1104 17.898,1105 22.71,1106 10.781,1107 36.182,1108 17.212,1109 18824,1110 30594,1111 25.66,1112 41.222,1113 56.914,1114 58.862,1115 58.389,1116 56.733,1117 56.662,1118 70.686,1119 12.494,1120 164.783,1121 53.626,1122 5.516,1123 5.806,1124 6.32,1125 5.245,1126 5.189,1127 7.458,1128 3.661,1129 18.24,1130 5.019,1131 16.25,1132 1.498,1133 1.549,1134 1.537,1135 1.493,1136 1.491,1137 1.86,1138 0.329,1139 4.336,1140 1.411,1141 4.08,1142 4.106,1143 4.041,1144 4,1145 8.201,1146 4.007,1147 4.002,1148 4.031,1149 3.965,1150 3.891,1151 7.427,1152 3.904,1153 3.825,1154 3.892,1155 3.718,1156 3.623,1157 5.016,1158 3.636,1159 3.574,1160 3.621,1161 3.49,1162 3.428,1163 4.755,1164 3.425,1165 3.531,1166 3.576,1167 3.438,1168 3.356,1169 4.581,1170 3.379,1171 3.401,1172 3.465,1173 3.266,1174 3.203,1175 4.387,1176 3.207,1177 3.171,1178 3.246,1179 3.049,1180 2.958,1181 4.263,1182 2.96,1183 3.111,1184 3.206,1185 2.957,1186 2.941,1187 4.186,1188 2.92,1189 0.119,1190 0.1,1191 0.177,1192 0.109,1193 0.084,1194 4.516,1195 0.117,1196 3.806,1197 0.054,1198 6.74,1199 0.287,1200 4.137,1201 0.079,1202 3.189,1203 4.458,1204 2.055,1205 10.908,1206 3.019,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.342,1212 2.12,1213 1.936,1214 1.912,1215 2.042,1216 2.081,1217 1.221,1218 2.07,1219 1.769,1220 1.701,1221 1.949,1222 1.991,1223 1.16,1224 1.981,1225 1.537,1226 1.492,1227 1.747,1228 1.737,1229 0.968,1230 1.736,1231 1.486,1232 1.44,1233 1.703,1234 1.677,1235 0.825,1236 1.689,1237 1.372,1238 1.309,1239 1.639,1240 1.592,1241 0.82,1242 1.611,1243 1.153,1244 1.064,1245 1.513,1246 1.426,1247 0.802,1248 1.448,1249 1.131,1250 1.051,1251 1.484,1252 1.376,1253 0.598,1254 1.429,1255 4.344,1257 5.68,1259 7.216,1261 8.846,1263 10.526,1265 3.645,1267 14.537,1271 5.609,1273 11.381,1276 6.164,1280 39.462,1281 100.721,1282 221.549,1283 300.188,1284 331.059,1285 339.059,1286 339.059,1287 62.02,1288 8.518,1289 58.14,1290 58.14,1291 30,1292 12.784,1293 4.248,1294 3.392,1295 50.543,1296 191,1297 160,1298 0.129,1299 237.222,1300 416.54,1301 570.581,1302 77261,1303 1.6,1304 23.656,1305 0.696,1306 0.576,1307 22.786,1308 19.59,1309 16.474,1310 0.434,1311 0.306,1312 11.42,1313 15.668,1314 11.126,1315 9.14,1316 16.064,1317 11.634,1318 15.143,1319 0.28,1320 0.165,1321 14.603,1322 8.909,1323 12.999,1324 0.181,1325 0.091,1326 12.601,1327 6.527,1328 10.8,1329 0.115,1330 0.048,1331 10.323,1332 4.55,1333 9.022,1334 0.074,1335 0.027,1336 8.793,1337 3.285,1338 0.212,1339 104.361,1340 0.197,1341 32.244,1342 0.329,1343 184,1344 585.898,1345 205.763,1346 528.807,1347 718.16,1348 498,1349 218,1350 522.09,1351 241.976,1352 519.675,1353 766.55,1354 488,1355 9.4} {0 CHEMBL247609,1 1.599,2 15.029,3 3.377,4 11.403,5 127.965,6 7.374,7 0.447,8 4.251,9 4.367,10 3.818,11 3.75,12 5.307,13 3.742,14 4.834,15 5.02,16 4.19,17 4.144,18 5.847,19 4.129,20 5.079,21 5.272,22 4.312,23 4.33,24 6.157,25 4.284,26 5.183,27 5.406,28 4.203,29 4.338,30 6.225,31 4.243,32 5.187,33 5.449,34 4.049,35 4.243,36 6.182,37 4.131,38 5.023,39 5.268,40 3.907,41 4.115,42 5.972,43 4.004,44 4.958,45 5.218,46 3.848,47 4.051,48 5.849,49 3.941,50 4.881,51 5.114,52 3.833,53 4.066,54 5.707,55 3.954,56 0.035,57 0.994,58 13.165,59 5.825,60 6.251,61 7.578,62 0.385,63 1.619,64 27.07,65 9.066,66 23.862,67 12.39,68 0.706,69 2.03,70 35.479,71 12.321,72 52.668,73 16.518,74 0.703,75 2.167,76 41.088,77 15.024,78 74.946,79 20.08,80 0.813,81 2.043,82 43.751,83 14.533,84 100.668,85 19.909,86 0.634,87 1.814,88 36.184,89 12.211,90 67.334,91 16.561,92 0.671,93 1.654,94 34.245,95 10.806,96 61.306,97 15.38,98 0.374,99 1.491,100 29.862,101 10.76,102 30.668,103 15.075,104 17,105 54,106 0.255,107 0.562,108 0.756,109 0.835,110 0.86,111 0.86,112 3.56,113 0.919,114 -3.46,115 -3.44,116 -3.29,119 41.3,120 1,124 1,125 8,140 7,141 2,142 4,144 2,156 1,169 6,171 1,172 8,178 6,181 4,182 8,189 4,192 1,193 6,199 5,202 1,203 5,211 2,214 2,215 5,222 1,225 2,226 3,236 1,237 3,248 1,249 4,259 1952,260 23.085,261 23.085,262 23.085,263 23.085,264 23.085,265 20.863,266 28.553,267 13.405,268 23.734,269 18.717,270 18.717,271 18.717,272 18.717,273 18.717,274 15.274,275 35.976,276 6.344,277 19.768,278 4.379,279 2.461,280 1.244,281 0.754,282 0.595,283 0.595,284 4.269,288 1,289 1,290 1132,291 3.162,295 502.974,299 335.517,302 2.322,303 37.497,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.5,315 511,316 4.546,317 3.821,318 6.894,319 4.189,320 3.24,321 4.458,322 2.055,323 11.415,324 3.068,325 4.516,326 3.347,327 6.517,328 4.026,329 3.054,330 4.201,331 0.933,332 10.248,333 2.968,334 3.895,335 3.185,336 5.957,337 3.662,338 2.721,339 3.17,340 0.916,341 8.317,342 2.569,343 3.719,344 2.995,345 5.536,346 3.481,347 2.534,348 3.161,349 0.86,350 7.294,351 2.384,352 3.636,353 2.746,354 5.414,355 3.289,356 2.342,357 2.77,358 0.8,359 6.782,360 2.218,361 3.474,362 2.613,363 5.322,364 3.169,365 2.219,366 2.636,367 0.51,368 6.705,369 2.104,370 3.298,371 2.529,372 5.108,373 2.97,374 2.053,375 2.598,376 0.172,377 6.161,378 1.875,379 3.178,380 2.24,381 4.813,382 2.844,383 1.888,384 2.299,386 5.292,387 1.796,388 3.028,389 2.144,390 4.753,391 2.697,392 1.734,393 2.218,395 4.899,396 1.653,397 2.988,398 1.793,399 4.196,400 2.512,401 1.524,402 2.092,404 3.817,405 1.504,406 2.491,407 1.6,408 3.966,409 2.16,410 1.232,411 1.489,413 2.91,414 1.133,415 2.341,416 1.466,417 3.527,418 2.078,419 1.17,420 1.316,422 2.711,423 1.048,424 2.142,425 1.409,426 3.414,427 1.967,428 1,429 1.086,431 2.275,432 0.965,433 2,434 1.146,435 3.322,436 1.839,437 0.87,438 1,440 2.01,441 0.839,442 1.771,443 0.969,444 3.17,445 1.469,446 0.526,447 0.604,449 1.276,450 0.487,451 15.886,452 0.467,453 0.853,454 0.025,455 42.25,456 1.243,457 19,458 0.559,459 23.25,460 0.684,461 31.136,462 0.916,463 37.514,464 0.595,465 33.09,466 0.973,467 8.569,468 0.252,469 7.923,470 0.233,471 0.102,473 0.359,477 1,479 0.715,480 1.372,481 0.751,482 1.227,483 0.538,484 1.037,485 1.047,486 1.004,487 0.876,488 0.864,489 0.619,490 0.821,491 0.994,492 0.984,493 1.015,494 1.005,495 0.876,496 1.005,497 0.967,498 1.18,499 1.045,500 1.194,501 1.103,502 1.155,503 1.077,504 0.975,505 0.993,506 0.927,507 0.97,508 0.942,509 1.182,510 1.18,511 1.15,512 1.093,513 1.3,514 1.115,515 1.014,516 0.871,517 1.057,518 0.887,519 1.082,520 0.957,521 0.786,522 0.933,523 1.048,524 1.099,525 0.524,526 1.122,527 6.5,528 0.182,529 4.222,530 2.375,531 2.298,532 0.938,533 0.706,534 0.451,535 0.25,536 0.243,537 20344,538 52673,539 2.127,540 46,542 26,546 3,550 1.752,551 2,552 3.809,553 -0.758,555 1,559 100.721,560 1.599,561 3.517,562 4.733,563 5.223,564 5.382,565 5.382,566 3.223,567 4.337,568 5.064,569 4.044,570 2268.69,571 8.827,572 37126.8,577 376.569,578 1.379,579 5.023,580 0.171,581 0.008,582 0.078,583 0.041,584 0.047,585 0.022,586 0.02,587 0.013,588 0.007,589 0.008,590 0.415,591 0.5,592 0.75,593 0.513,594 186.816,595 -0.014,596 -0.264,597 0.078,598 -0.138,599 -0.015,600 -0.036,601 -0.102,602 0.032,603 0.058,604 0.107,605 0.004,606 0.122,607 0.036,608 0.059,609 -0.061,610 -0.02,611 0.037,612 -0.052,613 0.069,614 -0.123,615 -0.065,616 -0.172,617 0.028,618 -0.155,619 -0.01,620 0.026,621 0.03,622 0.05,623 0.071,624 0.05,625 -0.083,626 -0.092,627 -0.141,628 -0.104,629 -0.138,630 -0.132,631 -0.045,632 0.13,633 -0.055,634 0.063,635 -0.096,636 0.014,637 -0.059,638 -0.067,639 -0.113,640 -0.11,641 -0.032,642 -0.121,643 2.038,644 7.139,645 0.765,646 38.706,647 1.006,648 1.133,649 2.231,650 4.978,651 0.654,652 3.664,653 4.007,654 4.304,655 4.564,656 4.82,657 4.836,658 4.92,659 5.043,660 5.13,661 5.136,662 8.894,663 0.626,664 464.59,665 3.664,666 5.22,667 6.084,668 6.969,669 7.846,670 8.732,671 9.614,672 10.502,673 11.386,674 12.275,675 6.3,678 2,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 63,716 18,717 2,718 38,720 67,721 26,722 15,723 7,724 5,730 5,731 7,736 1,745 16,746 10,750 1,755 1,759 1,761 1,762 1,764 29,765 8,767 8,773 4,777 0.6,778 3,786 1,793 5,797 2,806 1,815 2,819 3,823 2,825 1,827 34,833 8,835 2,838 3,846 1,847 4.8,850 1,852 2,854 17,855 12.026,856 7.361,857 3.834,858 3.448,859 1.405,860 0.996,861 6.685,862 11.966,863 3.882,864 4.477,865 5.055,866 5.615,867 6.173,868 6.391,869 6.659,870 6.963,871 7.199,872 6.954,873 0.9,874 58,875 12.687,877 5.494,878 7.735,879 24.367,881 20.321,883 2.235,884 76,888 341.362,889 143.103,890 26.158,892 47.145,893 14.96,895 143.103,896 388.507,897 41.119,898 17.222,899 24.943,900 66.334,901 46.635,902 61.272,903 14.96,904 341.362,906 341.362,907 169.261,908 62.105,911 356.322,912 47.145,915 44.918,916 107.558,917 16.786,919 356.322,920 73.303,921 143.103,924 341.362,925 59.548,926 92.928,928 78.89,929 341.362,930 88.263,931 143.103,933 0.589,934 0.352,935 0.189,936 0.106,937 27,938 12,939 0.09,940 6,941 2,942 1.154,943 4.607,944 315.966,945 0.154,946 26,947 164.974,951 23.035,952 9.867,953 4.906,954 1.977,955 88.263,956 13.548,957 4.566,961 2.725,964 572.728,965 47.5,970 11.906,974 -0.241,975 63.389,976 71.359,977 0.267,978 0.588,979 0.792,980 0.874,981 0.9,982 0.9,983 5.143,984 1.888,985 6.075,986 6.161,987 4.691,988 5.165,989 2.659,990 6.899,991 4.586,992 6.339,993 1.734,994 7.644,995 5.292,996 4.29,997 5.027,998 1.803,999 7.823,1000 4.137,1001 7.649,1002 1.524,1003 9.313,1004 4.899,1005 6.301,1006 7.36,1007 3.398,1008 10.939,1009 6.099,1010 8.993,1011 1.232,1012 11.04,1013 3.817,1014 6.711,1015 8.06,1016 3.314,1017 12.705,1018 6.461,1019 10.371,1020 1.17,1021 12.806,1022 2.91,1023 8.191,1024 9.897,1025 4.575,1026 15.356,1027 7.899,1028 11.773,1029 1,1030 14.6,1031 2.711,1032 8.985,1033 10.999,1034 4.857,1035 17.486,1036 8.646,1037 13.195,1038 0.87,1039 16.415,1040 2.275,1041 10.255,1042 12.634,1043 5.904,1044 19.981,1045 9.876,1046 3.24,1047 0.526,1048 18.247,1049 2.01,1050 11.236,1051 13.932,1052 6.371,1053 22.271,1054 10.81,1055 3.054,1056 11.415,1057 20.093,1058 1.276,1059 12.424,1060 15.48,1061 7.288,1062 24.711,1063 11.956,1064 2.721,1065 10.248,1066 21.95,1067 4.458,1068 13.494,1069 16.872,1070 7.856,1071 27.071,1072 12.978,1073 2.534,1074 8.317,1075 23.816,1076 4.201,1077 14.653,1078 18.381,1079 8.696,1080 29.494,1081 14.094,1082 2.342,1083 7.294,1084 25.691,1085 3.17,1086 15.766,1087 19.818,1088 9.324,1089 31.886,1090 15.158,1091 2.219,1092 6.782,1093 27.572,1094 3.161,1095 16.917,1096 21.31,1097 10.117,1098 34.304,1099 16.264,1100 2.053,1101 6.705,1102 29.459,1103 2.77,1104 18.051,1105 22.769,1106 10.781,1107 36.711,1108 17.349,1109 18727,1110 30335,1111 25.66,1112 41.222,1113 56.965,1114 58.796,1115 58.561,1116 56.724,1117 56.665,1118 70.712,1119 12.494,1120 165.271,1121 53.638,1122 5.546,1123 5.821,1124 6.474,1125 5.297,1126 5.24,1127 7.458,1128 3.661,1129 18.757,1130 5.068,1131 16.148,1132 1.499,1133 1.547,1134 1.541,1135 1.493,1136 1.491,1137 1.861,1138 0.329,1139 4.349,1140 1.412,1141 4.08,1142 4.106,1143 4.041,1144 4,1145 8.201,1146 4.007,1147 4.003,1148 4.032,1149 3.968,1150 3.891,1151 7.427,1152 3.905,1153 3.825,1154 3.892,1155 3.717,1156 3.623,1157 5.016,1158 3.636,1159 3.574,1160 3.621,1161 3.49,1162 3.428,1163 4.781,1164 3.425,1165 3.531,1166 3.575,1167 3.437,1168 3.356,1169 4.581,1170 3.379,1171 3.399,1172 3.463,1173 3.257,1174 3.203,1175 4.379,1176 3.206,1177 3.166,1178 3.244,1179 3.024,1180 2.958,1181 4.248,1182 2.955,1183 3.111,1184 3.206,1185 2.969,1186 2.941,1187 4.165,1188 2.918,1189 0.12,1190 0.101,1191 0.181,1192 0.11,1193 0.085,1194 4.546,1195 0.117,1196 3.821,1197 0.054,1198 6.894,1199 0.3,1200 4.189,1201 0.081,1202 3.24,1203 4.458,1204 2.055,1205 11.415,1206 3.068,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.342,1212 2.12,1213 1.935,1214 1.912,1215 2.039,1216 2.081,1217 1.221,1218 2.069,1219 1.769,1220 1.701,1221 1.949,1222 1.991,1223 1.158,1224 1.981,1225 1.537,1226 1.492,1227 1.747,1228 1.737,1229 0.968,1230 1.736,1231 1.486,1232 1.44,1233 1.703,1234 1.677,1235 0.825,1236 1.689,1237 1.374,1238 1.31,1239 1.643,1240 1.592,1241 0.82,1242 1.613,1243 1.153,1244 1.064,1245 1.513,1246 1.426,1247 0.801,1248 1.448,1249 1.134,1250 1.054,1251 1.484,1252 1.376,1253 0.598,1254 1.429,1255 4.344,1257 5.68,1259 7.22,1261 8.857,1263 10.543,1265 3.577,1267 15.139,1271 5.382,1273 11.46,1276 5.961,1280 39.462,1281 100.721,1282 221.549,1283 298.188,1284 329.059,1285 339.059,1286 339.059,1287 64.275,1288 8.518,1289 58.14,1290 58.14,1291 30,1292 12.806,1293 4.248,1294 3.392,1295 50.546,1296 190,1297 160,1298 0.13,1299 237.222,1300 416.54,1301 570.581,1302 77351,1303 1.6,1304 23.656,1305 0.696,1306 0.576,1307 22.786,1308 19.59,1309 16.491,1310 0.434,1311 0.306,1312 11.425,1313 15.688,1314 11.135,1315 9.145,1316 16.064,1317 11.64,1318 15.034,1319 0.278,1320 0.164,1321 14.603,1322 8.869,1323 13.149,1324 0.18,1325 0.09,1326 12.601,1327 6.575,1328 10.866,1329 0.114,1330 0.048,1331 10.323,1332 4.552,1333 9.13,1334 0.074,1335 0.027,1336 8.793,1337 3.289,1338 0.213,1339 104.462,1340 0.197,1341 32.216,1342 0.332,1343 184,1344 585.898,1345 205.763,1346 528.549,1347 718.7,1348 498,1349 219,1350 523.09,1351 243.296,1352 520.294,1353 769.13,1354 489,1355 9.3} {0 CHEMBL248229,1 1.451,2 16.306,3 4.5,4 20.25,5 141.622,6 6.787,7 0.425,8 4.361,9 4.485,10 3.861,11 3.868,12 5.333,13 3.837,14 4.953,15 5.15,16 4.208,17 4.262,18 5.867,19 4.213,20 5.214,21 5.436,22 4.296,23 4.443,24 6.133,25 4.358,26 5.282,27 5.524,28 4.196,29 4.465,30 6.11,31 4.338,32 5.308,33 5.571,34 4.117,35 4.423,36 6.108,37 4.287,38 5.215,39 5.46,40 4.055,41 4.353,42 6.053,43 4.216,44 5.184,45 5.443,46 3.983,47 4.292,48 5.989,49 4.154,50 5.128,51 5.385,52 3.942,53 4.263,54 5.874,55 4.124,56 0.036,57 1.044,58 16.613,59 6.802,60 7.514,61 9.449,62 0.339,63 1.722,64 32.198,65 10.705,66 26.064,67 15.621,68 0.654,69 2.105,70 42.631,71 14.292,72 52.81,73 20.724,74 0.396,75 2.154,76 45.302,77 16.716,78 43.058,79 23.961,80 0.522,81 2.129,82 47.456,83 16.51,84 50.354,85 23.831,86 0.503,87 1.974,88 42.873,89 15.175,90 49.873,91 21.856,92 0.533,93 1.919,94 41.967,95 14.026,96 51.29,97 20.585,98 0.428,99 1.823,100 39.388,101 13.667,102 31.886,103 19.88,104 13,105 55,106 0.226,107 0.515,108 0.744,109 0.846,110 0.867,111 0.867,112 3.615,113 0.983,114 -3.69,115 -3.65,116 -3.48,119 40.3,120 2,121 2,125 9,140 8,141 2,142 3,144 2,156 1,169 9,171 1,172 10,178 8,181 4,182 11,189 5,192 1,193 9,199 6,202 1,203 7,211 5,214 2,215 8,222 5,225 2,226 5,233 3,236 1,237 4,244 1,248 1,249 6,259 2472,260 24.817,261 24.817,262 24.817,263 24.817,264 24.817,265 22.676,266 31.529,267 14.859,268 25.429,269 19.745,270 19.745,271 19.745,272 19.745,273 19.745,274 16.407,275 42.395,276 7.039,277 20.726,278 4.719,279 2.863,280 1.396,281 0.743,282 0.604,283 0.604,284 4.327,289 1,290 1290,291 3.536,295 543.386,299 362.139,302 2.549,303 26.898,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 77,315 587,316 4.516,317 3.808,318 6.683,319 4.095,320 3.144,321 4.458,322 2.055,323 10.786,324 2.987,325 4.416,326 3.186,327 6.517,328 4.026,329 3.054,330 3.993,331 0.933,332 10.248,333 2.968,334 3.845,335 3.108,336 5.69,337 3.641,338 2.705,339 3.17,340 0.916,341 7.836,342 2.547,343 3.718,344 2.971,345 5.546,346 3.433,347 2.47,348 3.11,349 0.86,350 7.268,351 2.361,352 3.636,353 2.718,354 5.33,355 3.289,356 2.341,357 2.764,358 0.8,359 6.801,360 2.218,361 3.445,362 2.592,363 5.289,364 3.18,365 2.235,366 2.632,367 0.51,368 6.695,369 2.109,370 3.295,371 2.407,372 4.922,373 2.896,374 1.955,375 2.565,376 0.172,377 5.73,378 1.834,379 3.079,380 2.248,381 4.813,382 2.832,383 1.88,384 2.22,386 5.291,387 1.78,388 3.006,389 2.138,390 4.646,391 2.734,392 1.759,393 2.116,395 4.73,396 1.699,397 2.988,398 1.608,399 4.196,400 2.512,401 1.524,402 2.092,404 3.817,405 1.504,406 2.6,407 1.592,408 3.833,409 2.454,410 1.473,411 1.605,413 3.105,414 1.44,415 2.491,416 1.465,417 3.527,418 2.157,419 1.228,420 1.488,422 2.714,423 1.131,424 2.162,425 1.357,426 3.414,427 1.967,428 1,429 1.116,431 2.275,432 0.965,433 2.129,434 1.146,435 3.354,436 1.895,437 0.934,438 1.074,440 2.096,441 0.893,442 2,443 1.02,444 3.314,445 1.835,446 0.866,447 1,449 1.998,450 0.835,451 17.1,452 0.475,453 0.742,454 0.021,455 43,456 1.194,457 19,458 0.528,459 24,460 0.667,461 35.571,462 0.988,463 39.9,464 0.554,465 32.454,466 0.901,467 8.288,468 0.23,469 9.313,470 0.259,471 0.078,473 0.304,479 0.808,480 1.522,481 0.852,482 1.253,483 0.613,484 1.086,485 1.214,486 1.136,487 0.968,488 0.956,489 0.7,490 0.92,491 1.114,492 0.952,493 1.037,494 0.943,495 0.954,496 0.964,497 0.907,498 1.114,499 1.006,500 1.128,501 0.885,502 1.09,503 1.116,504 0.903,505 0.998,506 0.94,507 1.087,508 0.953,509 1.065,510 1.115,511 1.082,512 1.109,513 1.149,514 1.108,515 1.149,516 1.008,517 1.095,518 0.999,519 1.32,520 1.034,521 1.084,522 0.994,523 1.07,524 1.011,525 0.741,526 1.034,527 6.5,528 0.202,529 3.778,530 2.063,531 2.027,532 0.938,533 0.807,534 0.464,535 0.245,536 0.233,537 23822,538 52825,539 2.137,540 50,541 5,542 26,546 3,547 2,550 1.767,551 2.038,552 3.921,553 -0.799,559 104.481,560 1.451,561 3.307,562 4.774,563 5.427,564 5.566,565 5.566,566 3.322,567 4.871,568 5.144,569 4.145,570 2611.53,571 8.996,572 45123.4,577 444.235,578 1.256,579 5.118,580 0.162,581 0.007,582 0.069,583 0.036,584 0.04,585 0.02,586 0.019,587 0.012,588 0.006,589 0.007,590 0.377,591 0.5,592 0.75,593 0.873,594 202.038,595 0.021,596 -0.285,597 0.086,598 -0.123,599 0.006,600 -0.029,601 -0.07,602 0.011,603 0.033,604 0.043,605 0.032,606 0.053,607 0.043,608 0.127,609 -0.033,610 0.04,611 0.06,612 0.005,613 0.004,614 -0.121,615 -0.035,616 -0.112,617 0.021,618 -0.084,619 -0.076,620 0.055,621 -0.005,622 0.038,623 -0.066,624 0.028,625 -0.015,626 -0.138,627 -0.094,628 -0.113,629 -0.064,630 -0.119,631 -0.076,632 -0.021,633 -0.096,634 -0.036,635 -0.136,636 -0.066,637 -0.093,638 -0.008,639 -0.083,640 -0.031,641 -0.065,642 -0.053,643 1.612,644 5.427,645 0.722,646 45.889,647 0.993,648 1.129,649 2.457,650 6.037,651 0.647,652 3.714,653 4.025,654 4.304,655 4.575,656 4.844,657 4.883,658 4.97,659 5.1,660 5.182,661 5.22,662 9.437,663 0.606,664 488.69,665 3.714,666 5.252,667 6.103,668 6.976,669 7.843,670 8.722,671 9.596,672 10.477,673 11.353,674 12.235,675 5.6,678 2,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 72,716 18,717 2,718 40,720 76,721 29,722 15,723 6,724 6,730 5,731 7,736 2,743 2,745 16,746 13,750 1,755 1,759 1,764 36,765 7,767 7,773 4,777 0.6,778 3,786 1,793 5,797 2,806 1,815 2,819 3,823 2,827 36,833 11,835 2,838 3,847 4.2,850 1,852 2,854 17.667,855 13.467,856 7.972,857 4.74,858 3.429,859 1.395,860 0.984,861 8.053,862 12.109,863 3.922,864 4.477,865 5.032,866 5.599,867 6.163,868 6.387,869 6.664,870 6.984,871 7.207,872 7.004,873 0.909,874 58,875 13.39,877 5.633,878 7.523,879 26.395,881 21.93,883 2.023,884 72.833,888 423.76,889 151.062,890 26.158,892 47.145,895 151.062,896 470.904,897 26.158,898 17.65,899 32.118,900 75.81,901 46.635,902 52.151,904 423.76,906 423.76,907 177.22,908 47.145,911 400.217,912 70.687,915 60.918,916 99.517,917 16.786,919 423.76,920 73.303,921 151.062,924 423.76,925 57.601,926 102.833,928 63.93,929 423.76,930 73.303,931 151.062,933 0.574,934 0.335,935 0.186,936 0.109,937 26,938 11,939 0.118,940 9,941 2,942 1.154,943 4.83,944 335.211,945 0.154,946 26,947 177.362,951 25.007,952 11.593,953 6.022,954 2.047,955 73.303,956 16.489,957 4.599,961 4.887,964 648.125,965 49.5,970 12.427,974 0.054,975 71.527,976 81.265,977 0.235,978 0.536,979 0.774,980 0.88,981 0.902,982 0.902,983 5.166,984 1.88,985 6.071,986 5.73,987 4.71,988 5.165,989 2.659,990 6.864,991 4.616,992 6.337,993 1.759,994 7.613,995 5.291,996 4.205,997 4.934,998 1.803,999 7.719,1000 4.067,1001 7.629,1002 1.524,1003 9.255,1004 4.73,1005 6.282,1006 7.316,1007 3.398,1008 10.825,1009 6.096,1010 8.954,1011 1.473,1012 10.958,1013 3.817,1014 6.608,1015 7.945,1016 3.314,1017 12.537,1018 6.379,1019 10.315,1020 1.228,1021 12.701,1022 3.105,1023 8.128,1024 9.812,1025 4.575,1026 15.155,1027 7.855,1028 11.7,1029 1,1030 14.472,1031 2.714,1032 8.86,1033 10.865,1034 4.857,1035 17.237,1036 8.545,1037 13.106,1038 0.934,1039 16.265,1040 2.275,1041 10.144,1042 12.515,1043 5.904,1044 19.689,1045 9.789,1046 3.144,1047 0.866,1048 18.074,1049 2.096,1050 11.08,1051 13.783,1052 6.371,1053 21.93,1054 10.683,1055 3.054,1056 10.786,1057 19.897,1058 1.998,1059 12.264,1060 15.337,1061 7.288,1062 24.323,1063 11.829,1064 2.705,1065 10.248,1066 21.732,1067 4.458,1068 13.299,1069 16.712,1070 7.856,1071 26.632,1072 12.822,1073 2.47,1074 7.836,1075 23.575,1076 3.993,1077 14.444,1078 18.223,1079 8.696,1080 29.005,1081 13.928,1082 2.341,1083 7.268,1084 25.427,1085 3.17,1086 15.528,1087 19.651,1088 9.324,1089 31.343,1090 14.969,1091 2.235,1092 6.801,1093 27.284,1094 3.11,1095 16.659,1096 21.144,1097 10.117,1098 33.709,1099 16.061,1100 1.955,1101 6.695,1102 29.148,1103 2.764,1104 17.765,1105 22.599,1106 10.781,1107 36.061,1108 17.125,1109 22099,1110 33074,1111 27.334,1112 46.569,1113 58.854,1114 60.374,1115 60.387,1116 58.697,1117 58.7,1118 72.529,1119 12.494,1120 166.139,1121 56.01,1122 5.516,1123 5.808,1124 6.542,1125 5.203,1126 5.144,1127 7.458,1128 3.661,1129 17.932,1130 4.987,1131 14.973,1132 1.471,1133 1.509,1134 1.51,1135 1.467,1136 1.468,1137 1.813,1138 0.312,1139 4.153,1140 1.4,1141 4.081,1142 4.108,1143 4.041,1144 4.001,1145 7.427,1146 4.007,1147 4.002,1148 4.034,1149 3.953,1150 3.897,1151 5.017,1152 3.905,1153 3.827,1154 3.895,1155 3.719,1156 3.625,1157 4.834,1158 3.638,1159 3.669,1160 3.734,1161 3.534,1162 3.531,1163 4.581,1164 3.518,1165 3.549,1166 3.597,1167 3.445,1168 3.428,1169 4.387,1170 3.424,1171 3.499,1172 3.547,1173 3.371,1174 3.305,1175 4.269,1176 3.32,1177 3.394,1178 3.454,1179 3.253,1180 3.198,1181 4.195,1182 3.202,1183 3.146,1184 3.23,1185 3.003,1186 2.958,1187 4.168,1188 2.953,1189 0.113,1190 0.095,1191 0.167,1192 0.102,1193 0.079,1194 4.516,1195 0.111,1196 3.808,1197 0.051,1198 6.683,1199 0.27,1200 4.095,1201 0.075,1202 3.144,1203 4.458,1204 2.055,1205 10.786,1206 2.987,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.344,1212 2.12,1213 1.946,1214 1.92,1215 2.06,1216 2.085,1217 1.279,1218 2.078,1219 1.775,1220 1.706,1221 1.984,1222 1.998,1223 1.22,1224 1.994,1225 1.677,1226 1.611,1227 1.926,1228 1.847,1229 1.144,1230 1.88,1231 1.535,1232 1.49,1233 1.745,1234 1.718,1235 0.966,1236 1.723,1237 1.45,1238 1.402,1239 1.683,1240 1.66,1241 0.825,1242 1.671,1243 1.366,1244 1.305,1245 1.622,1246 1.585,1247 0.821,1248 1.603,1249 1.153,1250 1.064,1251 1.513,1252 1.406,1253 0.802,1254 1.441,1255 4.394,1257 5.707,1259 7.223,1261 8.838,1263 10.506,1265 4.158,1271 9.496,1273 11.821,1276 6.854,1280 43.659,1281 104.481,1282 238.119,1283 343.705,1284 390.725,1285 400.725,1286 400.725,1287 57.706,1288 8.681,1289 58.14,1290 58.14,1291 30,1292 12.77,1293 4.248,1294 3.392,1295 54.991,1296 210,1297 184,1298 0.126,1299 264.801,1300 462.37,1301 637.874,1302 95493,1304 24.907,1305 0.692,1306 0.595,1307 24.907,1308 21.411,1309 17.602,1310 0.44,1311 0.328,1312 12.92,1313 16.909,1314 12.585,1315 10.408,1316 17.602,1317 13.105,1318 15.55,1319 0.283,1320 0.177,1321 15.55,1322 9.731,1323 13.2,1324 0.181,1325 0.097,1326 13.2,1327 7.069,1328 11.093,1329 0.116,1330 0.052,1331 11.093,1332 4.976,1333 9.528,1334 0.076,1335 0.029,1336 9.528,1337 3.665,1338 0.207,1339 110.174,1340 0.191,1341 33.858,1342 0.32,1343 190,1344 503.787,1345 208.265,1346 478.658,1347 664.83,1348 454,1349 223,1350 493.109,1351 243.291,1352 495.856,1353 731.71,1354 468,1355 8.5} {0 CHEMBL248230,1 1.451,2 15.806,3 4.363,4 19.037,5 141.493,6 6.787,7 0.425,8 4.361,9 4.485,10 3.861,11 3.868,12 5.339,13 3.837,14 4.953,15 5.151,16 4.22,17 4.268,18 5.87,19 4.221,20 5.216,21 5.43,22 4.304,23 4.456,24 6.15,25 4.37,26 5.324,27 5.58,28 4.207,29 4.48,30 6.131,31 4.35,32 5.294,33 5.545,34 4.154,35 4.442,36 6.132,37 4.312,38 5.251,39 5.491,40 4.053,41 4.375,42 6.118,43 4.233,44 5.212,45 5.486,46 3.953,47 4.284,48 5.963,49 4.137,50 5.073,51 5.321,52 3.923,53 4.238,54 5.832,55 4.1,56 0.036,57 1.044,58 16.613,59 6.802,60 8.469,61 9.449,62 0.341,63 1.724,64 32.2,65 10.713,66 27.34,67 15.623,68 0.633,69 2.131,70 42.49,71 14.403,72 53.546,73 20.816,74 0.456,75 2.215,76 47.657,77 17.102,78 47.652,79 24.769,80 0.467,81 2.124,82 46.399,83 16.68,84 52.252,85 23.805,86 0.549,87 2.029,88 44.561,89 15.65,90 61.368,91 22.405,92 0.576,93 1.933,94 43.502,95 14.318,96 49.539,97 21.198,98 0.349,99 1.769,100 36.86,101 13.075,102 28.283,103 19.065,104 19,105 56,106 0.226,107 0.515,108 0.734,109 0.827,110 0.848,111 0.848,112 3.615,113 0.972,114 -3.69,115 -3.65,116 -3.48,119 40.3,120 3,122 1,125 9,140 8,141 2,142 3,144 2,156 1,169 9,171 1,172 10,178 8,181 4,182 12,189 5,192 1,193 8,199 6,202 1,203 8,211 6,214 2,215 8,222 6,225 2,226 4,233 2,236 1,237 5,248 1,249 5,259 2442,260 24.394,261 24.394,262 24.394,263 24.394,264 24.394,265 22.253,266 31.529,267 14.385,268 24.998,269 19.78,270 19.78,271 19.78,272 19.78,273 19.78,274 16.441,275 42.395,276 6.875,277 20.754,278 4.719,279 2.863,280 1.462,281 0.865,282 0.726,283 0.726,284 4.324,289 1,290 1250,291 3.674,295 542.62,299 361.635,302 2.515,303 27.147,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 77,315 569,316 4.516,317 3.81,318 6.69,319 4.103,320 3.152,321 4.458,322 2.055,323 10.821,324 2.994,325 4.419,326 3.186,327 6.517,328 4.026,329 3.054,330 3.993,331 0.933,332 10.248,333 2.968,334 3.851,335 3.108,336 5.702,337 3.645,338 2.707,339 3.17,340 0.916,341 7.855,342 2.556,343 3.718,344 2.972,345 5.552,346 3.449,347 2.487,348 3.116,349 0.86,350 7.321,351 2.374,352 3.64,353 2.718,354 5.33,355 3.291,356 2.344,357 2.769,358 0.8,359 6.814,360 2.219,361 3.449,362 2.592,363 5.29,364 3.212,365 2.266,366 2.632,367 0.51,368 6.697,369 2.147,370 3.295,371 2.483,372 4.923,373 3.071,374 2.077,375 2.566,376 0.172,377 5.736,378 2.058,379 3.18,380 2.264,381 4.813,382 2.89,383 1.937,384 2.22,386 5.291,387 1.833,388 3.076,389 2.14,390 4.724,391 2.829,392 1.876,393 2.209,395 5.129,396 1.779,397 2.989,398 1.979,399 4.521,400 2.609,401 1.662,402 2.101,404 4.501,405 1.561,406 2.914,407 1.602,408 4.196,409 2.512,410 1.524,411 2.006,413 3.817,414 1.504,415 2.491,416 1.466,417 3.597,418 2.157,419 1.228,420 1.488,422 2.714,423 1.131,424 2.19,425 1.399,426 3.527,427 1.967,428 1,429 1.136,431 2.298,432 0.965,433 2.134,434 1.146,435 3.414,436 1.881,437 0.927,438 1.077,440 2.275,441 0.879,442 2,443 1.024,444 3.316,445 1.833,446 0.865,447 1,449 2.004,450 0.834,451 17.1,452 0.475,453 0.886,454 0.025,455 43,456 1.194,457 19,458 0.528,459 24,460 0.667,461 36.261,462 1.007,463 39.9,464 0.554,465 32.702,466 0.908,467 8.279,468 0.23,469 9.179,470 0.255,471 0.107,473 0.333,479 0.808,480 1.522,481 0.852,482 1.253,483 0.634,484 1.086,485 1.21,486 1.11,487 0.943,488 0.925,489 0.691,490 0.889,491 1.114,492 1.041,493 1.092,494 1.029,495 0.973,496 1.044,497 0.912,498 0.992,499 0.95,500 1.009,501 0.852,502 0.987,503 1.079,504 0.967,505 1.005,506 1.011,507 1.043,508 1.004,509 1.192,510 1.148,511 1.163,512 1.154,513 1.529,514 1.166,515 1.12,516 0.916,517 1.028,518 0.899,519 0.956,520 0.945,521 0.96,522 1.116,523 1.098,524 1.124,525 0.715,526 1.126,527 7.5,528 0.21,529 3.778,530 2.063,531 2.267,532 0.965,533 0.889,534 0.448,535 0.274,536 0.273,537 23670,538 52597,539 2.12,540 50,541 6,542 26,546 3,547 1,550 1.767,551 2,552 3.884,553 -0.799,559 104.481,560 1.451,561 3.307,562 4.708,563 5.305,564 5.444,565 5.444,566 3.354,567 4.816,568 5.145,569 4.126,570 2599.22,571 8.996,572 44826,577 444.235,578 1.352,579 5.109,580 0.188,581 0.008,582 0.067,583 0.036,584 0.044,585 0.02,586 0.021,587 0.011,588 0.007,589 0.008,590 0.409,591 0.5,592 0.75,593 0.783,594 201.823,595 0.021,596 -0.285,597 0.086,598 -0.123,599 -0.011,600 -0.029,601 -0.067,602 0.038,603 0.058,604 0.075,605 0.042,606 0.085,607 0.036,608 0.051,609 -0.091,610 -0.038,611 0.037,612 -0.071,613 0.002,614 -0.013,615 0.027,616 -0.012,617 0.031,618 0.009,619 -0.059,620 0.001,621 -0.019,622 -0.014,623 -0.017,624 -0.012,625 -0.058,626 -0.173,627 -0.168,628 -0.16,629 -0.158,630 -0.182,631 -0.065,632 0.044,633 -0.027,634 0.05,635 -0.081,636 0.019,637 -0.067,638 -0.103,639 -0.124,640 -0.13,641 -0.066,642 -0.135,643 1.626,644 5.456,645 0.722,646 45.056,647 0.993,648 1.129,649 2.457,650 6.037,651 0.647,652 3.714,653 4.043,654 4.304,655 4.585,656 4.86,657 4.883,658 4.977,659 5.106,660 5.193,661 5.209,662 9.375,663 0.606,664 488.69,665 3.714,666 5.263,667 6.111,668 6.991,669 7.857,670 8.74,671 9.613,672 10.496,673 11.372,674 12.256,675 5.6,678 2,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 72,716 18,717 2,718 40,720 76,721 29,722 15,723 6,724 6,730 5,731 7,736 3,745 16,746 13,747 1,750 1,755 1,759 1,764 36,765 7,767 7,773 4,777 0.6,778 3,786 1,793 5,797 2,806 1,815 2,819 3,823 3,827 36,833 9,835 2,837 1,838 3,847 4.2,850 1,852 2,854 18,855 13.8,856 7.806,857 4.574,858 3.429,859 1.395,860 0.979,861 7.754,862 12.109,863 3.922,864 4.489,865 5.032,866 5.603,867 6.171,868 6.389,869 6.67,870 6.989,871 7.218,872 6.997,873 1,874 58,875 13.386,877 5.648,878 7.532,879 26.335,881 21.951,883 2.032,884 73.167,888 423.76,889 154.818,890 26.158,892 47.145,895 154.818,896 470.904,897 26.158,898 26.476,899 27.049,900 75.81,901 46.635,902 52.151,904 423.76,906 423.76,907 180.976,908 47.145,911 411.989,912 58.916,915 64.674,916 99.517,917 16.786,919 423.76,920 73.303,921 154.818,924 423.76,925 52.532,926 111.659,928 63.93,929 423.76,930 73.303,931 154.818,933 0.583,934 0.332,935 0.185,936 0.111,937 27,938 12,939 0.105,940 8,941 2,942 1.154,943 4.79,944 337.227,945 0.154,946 26,947 176.117,951 25.007,952 11.163,953 6.022,954 2.045,955 73.303,956 16.467,957 4.599,961 4.855,964 651.881,965 49.5,970 12.456,974 0.041,975 71.527,976 81.265,977 0.235,978 0.536,979 0.763,980 0.86,981 0.882,982 0.882,983 5.178,984 1.937,985 6.094,986 5.736,987 4.727,988 5.176,989 2.659,990 6.891,991 4.636,992 6.358,993 1.876,994 7.641,995 5.291,996 4.29,997 4.977,998 1.803,999 7.751,1000 4.165,1001 7.653,1002 1.662,1003 9.284,1004 5.129,1005 6.308,1006 7.325,1007 3.398,1008 10.847,1009 6.126,1010 8.978,1011 1.524,1012 10.986,1013 4.501,1014 6.661,1015 7.959,1016 3.314,1017 12.553,1018 6.443,1019 10.338,1020 1.228,1021 12.726,1022 3.817,1023 8.155,1024 9.817,1025 4.575,1026 15.174,1027 7.888,1028 11.721,1029 1,1030 14.495,1031 2.714,1032 8.895,1033 10.869,1034 4.857,1035 17.252,1036 8.589,1037 13.124,1038 0.927,1039 16.285,1040 2.298,1041 10.169,1042 12.518,1043 5.904,1044 19.707,1045 9.819,1046 3.152,1047 0.865,1048 18.092,1049 2.275,1050 11.107,1051 13.785,1052 6.371,1053 21.949,1054 10.716,1055 3.054,1056 10.821,1057 19.913,1058 2.004,1059 12.287,1060 15.338,1061 7.288,1062 24.345,1063 11.855,1064 2.707,1065 10.248,1066 21.746,1067 4.458,1068 13.323,1069 16.713,1070 7.856,1071 26.656,1072 12.849,1073 2.487,1074 7.855,1075 23.589,1076 3.993,1077 14.467,1078 18.224,1079 8.696,1080 29.031,1081 13.953,1082 2.344,1083 7.321,1084 25.439,1085 3.17,1086 15.551,1087 19.652,1088 9.324,1089 31.372,1090 14.994,1091 2.266,1092 6.814,1093 27.297,1094 3.116,1095 16.683,1096 21.145,1097 10.117,1098 33.74,1099 16.085,1100 2.077,1101 6.697,1102 29.16,1103 2.769,1104 17.791,1105 22.6,1106 10.781,1107 36.095,1108 17.15,1109 21959,1110 32896,1111 27.046,1112 46.569,1113 59.829,1114 61.338,1115 60.905,1116 59.488,1117 59.493,1118 73.336,1119 12.494,1120 170.215,1121 56.808,1122 5.516,1123 5.81,1124 6.27,1125 5.211,1126 5.152,1127 7.458,1128 3.661,1129 17.973,1130 4.994,1131 17.129,1132 1.496,1133 1.533,1134 1.523,1135 1.487,1136 1.487,1137 1.833,1138 0.312,1139 4.255,1140 1.42,1141 4.081,1142 4.108,1143 4.041,1144 4.001,1145 7.427,1146 4.007,1147 4.004,1148 4.035,1149 3.954,1150 3.899,1151 5.017,1152 3.907,1153 3.828,1154 3.897,1155 3.72,1156 3.627,1157 4.835,1158 3.639,1159 3.684,1160 3.745,1161 3.552,1162 3.554,1163 4.581,1164 3.542,1165 3.549,1166 3.596,1167 3.446,1168 3.428,1169 4.387,1170 3.424,1171 3.492,1172 3.539,1173 3.374,1174 3.295,1175 4.269,1176 3.312,1177 3.392,1178 3.449,1179 3.252,1180 3.195,1181 4.237,1182 3.2,1183 3.113,1184 3.206,1185 2.999,1186 2.956,1187 4.195,1188 2.95,1189 0.113,1190 0.095,1191 0.167,1192 0.103,1193 0.079,1194 4.516,1195 0.111,1196 3.81,1197 0.051,1198 6.69,1199 0.271,1200 4.103,1201 0.075,1202 3.152,1203 4.458,1204 2.055,1205 10.821,1206 2.994,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.344,1212 2.12,1213 1.947,1214 1.921,1215 2.062,1216 2.086,1217 1.265,1218 2.08,1219 1.777,1220 1.708,1221 1.987,1222 2,1223 1.22,1224 1.997,1225 1.69,1226 1.628,1227 1.924,1228 1.853,1229 1.133,1230 1.883,1231 1.535,1232 1.49,1233 1.745,1234 1.715,1235 0.963,1236 1.721,1237 1.439,1238 1.392,1239 1.678,1240 1.654,1241 0.825,1242 1.664,1243 1.359,1244 1.302,1245 1.596,1246 1.581,1247 0.805,1248 1.594,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.782,1254 1.429,1255 4.394,1257 5.72,1259 7.241,1261 8.856,1263 10.523,1265 6.281,1271 7.361,1273 11.822,1275 0.405,1276 6.835,1280 43.659,1281 104.481,1282 238.119,1283 338.95,1284 381.97,1285 391.97,1286 391.97,1287 58.757,1288 8.681,1289 58.14,1290 58.14,1291 30,1292 12.79,1293 4.248,1294 3.392,1295 55.002,1296 209,1297 184,1298 0.127,1299 264.801,1300 462.37,1301 637.874,1302 95097,1304 25.07,1305 0.696,1306 0.599,1307 25.07,1308 21.574,1309 17.458,1310 0.436,1311 0.324,1312 12.776,1313 16.768,1314 12.37,1315 10.258,1316 17.458,1317 12.961,1318 16.038,1319 0.286,1320 0.183,1321 16.038,1322 10.231,1323 13.053,1324 0.179,1325 0.094,1326 13.053,1327 6.881,1328 11.106,1329 0.114,1330 0.051,1331 11.106,1332 4.98,1333 9.701,1334 0.076,1335 0.029,1336 9.701,1337 3.712,1338 0.208,1339 109.309,1340 0.192,1341 33.811,1342 0.322,1343 192,1344 505.787,1345 210.265,1346 481.58,1347 667.83,1348 456,1349 225,1350 495.109,1351 245.458,1352 499.539,1353 735.91,1354 470,1355 8.6} {0 CHEMBL248231,1 1.454,2 17.103,3 4.755,4 22.608,5 152.362,6 7.16,7 0.523,8 4.387,9 4.503,10 3.939,11 3.934,12 5.406,13 3.909,14 4.958,15 5.136,16 4.291,17 4.329,18 5.925,19 4.289,20 5.218,21 5.419,22 4.368,23 4.504,24 6.179,25 4.426,26 5.304,27 5.539,28 4.259,29 4.511,30 6.156,31 4.391,32 5.313,33 5.569,34 4.224,35 4.474,36 6.155,37 4.355,38 5.225,39 5.454,40 4.204,41 4.428,42 6.137,43 4.316,44 5.216,45 5.459,46 4.145,47 4.385,48 6.082,49 4.27,50 5.151,51 5.385,52 4.068,53 4.349,54 5.966,55 4.225,56 0.027,57 1.047,58 15.616,59 6.833,60 8.55,61 9.068,62 0.319,63 1.768,64 30.546,65 10.893,66 27.04,67 14.934,68 0.607,69 2.191,70 40.937,71 14.729,72 53.447,73 20.273,74 0.387,75 2.269,76 45.6,77 17.461,78 47.009,79 24.318,80 0.483,81 2.245,82 47.444,83 17.295,84 53.289,85 24.193,86 0.466,87 2.089,88 42.352,89 15.817,90 54.909,91 21.87,92 0.515,93 2.078,94 42.677,95 15.129,96 55.951,97 21.16,98 0.391,99 1.957,100 39.329,101 14.613,102 37.955,103 20.253,104 5,105 61,106 0.224,107 0.51,108 0.693,109 0.823,110 0.862,111 0.862,112 3.693,113 0.931,114 -4.04,115 -3.99,116 -3.78,119 43.8,120 1,125 9,140 13,141 3,142 3,144 2,156 1,169 13,171 1,172 10,178 13,181 4,182 12,189 8,192 1,193 10,199 6,202 1,203 9,211 6,214 2,215 10,222 8,225 2,226 7,233 7,236 1,237 6,244 4,248 1,249 7,256 1,259 3145,260 26.963,261 26.963,262 26.963,263 26.963,264 26.963,265 24.071,266 33.658,267 16.048,268 27.567,269 21.78,270 21.78,271 21.78,272 21.78,273 21.78,274 17.407,275 46.751,276 7.698,277 22.751,278 4.736,279 2.878,280 1.683,281 0.843,282 0.586,283 0.586,284 4.414,289 1,290 1494,291 3.317,295 713.219,299 391.408,302 2.659,303 27.439,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 83,315 667,316 4.516,317 3.816,318 6.693,319 4.107,320 3.156,321 4.458,322 2.057,323 10.834,324 2.999,325 4.423,326 3.186,327 6.517,328 4.026,329 3.054,330 3.996,331 0.957,332 10.248,333 2.968,334 3.934,335 3.109,336 5.718,337 3.653,338 2.71,339 3.454,340 0.916,341 7.896,342 2.581,343 3.793,344 2.975,345 5.56,346 3.516,347 2.545,348 3.17,349 0.86,350 7.453,351 2.457,352 3.718,353 2.769,354 5.332,355 3.376,356 2.404,357 3.089,358 0.8,359 6.883,360 2.331,361 3.625,362 2.713,363 5.301,364 3.287,365 2.335,366 2.758,367 0.672,368 6.708,369 2.217,370 3.442,371 2.592,372 5.268,373 3.164,374 2.207,375 2.632,376 0.172,377 6.572,378 2.102,379 3.295,380 2.306,381 4.922,382 2.893,383 1.949,384 2.565,385 0.077,386 5.726,387 1.834,388 3.079,389 2.198,390 4.813,391 2.83,392 1.878,393 2.22,395 5.291,396 1.779,397 3.009,398 2.134,399 4.633,400 2.669,401 1.711,402 2.144,404 4.681,405 1.625,406 2.988,407 1.603,408 4.196,409 2.512,410 1.524,411 2.1,413 3.817,414 1.504,415 2.869,416 1.577,417 3.766,418 2.436,419 1.445,420 2.014,422 3.147,423 1.429,424 2.5,425 1.465,426 3.527,427 2.157,428 1.228,429 1.5,431 2.714,432 1.131,433 2.491,434 1.381,435 3.515,436 2,437 1,438 1.488,440 2.325,441 1,442 2.228,443 1.146,444 3.414,445 1.967,446 1,447 1.168,449 2.275,450 0.965,451 18.6,452 0.477,453 0.811,454 0.021,455 51,456 1.308,457 25,458 0.641,459 26,460 0.667,461 35.258,462 0.904,463 41.4,464 0.567,465 40.106,466 1.028,467 10.246,468 0.263,469 8.873,470 0.228,471 0.045,473 0.306,479 0.801,480 1.399,481 0.795,482 1.145,483 0.611,484 0.996,485 1.241,486 1.095,487 0.967,488 0.925,489 0.732,490 0.899,491 1.124,492 1.014,493 1.091,494 1.01,495 0.99,496 1.032,497 0.922,498 1.1,499 1.016,500 1.112,501 0.885,502 1.084,503 1.065,504 0.875,505 0.937,506 0.898,507 0.913,508 0.901,509 1.069,510 1.074,511 1.041,512 1.069,513 1.21,514 1.06,515 1.168,516 0.967,517 1.053,518 0.962,519 1.272,520 0.987,521 1.116,522 1.063,523 1.119,524 1.086,525 0.889,526 1.102,527 7,528 0.182,529 3.778,530 2,531 2.258,532 0.972,533 0.85,534 0.497,535 0.278,536 0.259,537 30684,538 70622,539 2.187,540 46.6,542 31,546 3,550 1.787,551 2.108,552 3.997,553 -0.815,559 106.129,560 1.454,561 3.312,562 4.507,563 5.347,564 5.604,565 5.604,566 3.478,567 5.029,568 5.259,569 4.221,570 3127.78,571 9.231,572 57175.1,577 451.857,578 1.154,579 5.243,580 0.159,581 0.006,582 0.062,583 0.032,584 0.041,585 0.018,586 0.016,587 0.01,588 0.006,589 0.007,590 0.357,591 0.5,592 0.75,593 0.355,594 223.961,595 0.015,596 -0.243,597 0.085,598 -0.099,599 -0.003,600 -0.016,601 -0.092,602 0.036,603 -0.003,604 0.043,605 -0.001,606 0.037,607 0.03,608 0.057,609 -0.111,610 -0.04,611 0.021,612 -0.082,613 0.002,614 -0.126,615 -0.04,616 -0.113,617 0.021,618 -0.088,619 -0.045,620 0.08,621 0.067,622 0.083,623 0.021,624 0.09,625 -0.001,626 -0.095,627 -0.052,628 -0.079,629 -0.028,630 -0.076,631 -0.065,632 0.023,633 -0.048,634 0.005,635 -0.09,636 -0.016,637 -0.1,638 -0.076,639 -0.133,640 -0.101,641 -0.096,642 -0.12,643 1.672,644 5.725,645 0.821,646 53.273,647 0.995,648 1.121,649 2.81,650 7.898,651 0.669,652 3.807,653 4.127,654 4.407,655 4.682,656 4.963,657 4.997,658 5.118,659 5.273,660 5.384,661 5.434,662 9.903,663 0.632,664 522.7,665 3.807,666 5.352,667 6.205,668 7.079,669 7.946,670 8.825,671 9.698,672 10.579,673 11.456,674 12.339,675 5.5,678 2,682 1,685 1,687 2,688 13,689 1,693 6,695 23,712 2,714 73,716 24,717 3,718 44,720 78,721 32,722 21,723 7,724 11,730 6,731 8,736 1,745 22,746 10,750 1,755 1,759 1,764 34,765 7,767 7,773 4,777 0.667,778 3,786 1,793 6,797 2,806 1,815 2,819 4,823 1,827 39,833 9,835 2,838 3,847 4.1,850 1,852 2,854 18.5,855 13.383,856 8.472,857 4.476,858 4.252,859 1.467,860 1.011,861 7.776,862 13.367,863 4.052,864 4.63,865 5.187,866 5.752,867 6.321,868 6.504,869 6.81,870 7.164,871 7.445,872 7.377,873 1,874 63,875 14.478,877 6.171,878 7.538,879 28.365,881 23.747,883 2.038,884 79.5,888 400.217,889 187.734,890 26.158,892 47.145,895 187.734,896 447.362,897 26.158,898 8.825,899 27.049,900 123.191,901 46.635,902 55.337,904 400.217,906 400.217,907 213.893,908 47.145,911 400.217,912 47.145,915 47.024,916 150.084,917 16.786,919 400.217,920 73.303,921 187.734,924 400.217,925 55.718,926 141.389,928 63.93,929 400.217,930 73.303,931 187.734,933 0.579,934 0.337,935 0.186,936 0.108,937 30,938 12,939 0.103,940 8,941 2,942 1.125,943 5.129,944 381.925,945 0.125,946 32,947 194.131,951 25.816,952 11.747,953 6.09,954 2.037,955 73.303,956 26.541,957 4.605,961 5.852,964 661.255,965 56.5,970 12.725,974 -0.005,975 72.643,976 81.849,977 0.235,978 0.535,979 0.728,980 0.864,981 0.905,982 0.905,983 5.292,984 1.949,985 6.172,986 6.572,987 4.812,988 5.318,989 2.696,990 6.959,991 4.728,992 6.472,993 1.878,994 7.709,995 5.726,996 4.29,997 5.027,998 1.803,999 7.789,1000 4.165,1001 7.762,1002 1.711,1003 9.345,1004 5.291,1005 6.382,1006 7.472,1007 3.415,1008 10.896,1009 6.214,1010 9.084,1011 1.524,1012 11.04,1013 4.681,1014 6.686,1015 8.028,1016 3.32,1017 12.587,1018 6.474,1019 10.439,1020 1.445,1021 12.775,1022 3.817,1023 8.217,1024 9.943,1025 4.582,1026 15.206,1027 7.969,1028 11.818,1029 1.228,1030 14.539,1031 3.147,1032 8.929,1033 10.932,1034 4.865,1035 17.276,1036 8.634,1037 13.217,1038 1,1039 16.325,1040 2.714,1041 10.22,1042 12.611,1043 5.911,1044 19.729,1045 9.89,1046 3.156,1047 1,1048 18.129,1049 2.325,1050 11.141,1051 13.834,1052 6.38,1053 21.966,1054 10.764,1055 3.054,1056 10.834,1057 19.946,1058 2.275,1059 12.328,1060 15.402,1061 7.296,1062 24.36,1063 11.915,1064 2.71,1065 10.248,1066 21.776,1067 4.458,1068 13.354,1069 16.748,1070 7.867,1071 26.67,1072 12.895,1073 2.545,1074 7.896,1075 23.615,1076 3.996,1077 14.5,1078 18.265,1079 8.706,1080 29.044,1081 14.002,1082 2.404,1083 7.453,1084 25.463,1085 3.454,1086 15.578,1087 19.677,1088 9.336,1089 31.385,1090 15.035,1091 2.335,1092 6.883,1093 27.318,1094 3.17,1095 16.71,1096 21.171,1097 10.129,1098 33.754,1099 16.127,1100 2.207,1101 6.708,1102 29.179,1103 3.089,1104 17.815,1105 22.617,1106 10.795,1107 36.109,1108 17.187,1109 27827,1110 42394,1111 30.512,1112 48.807,1113 65.59,1114 66.861,1115 66.167,1116 65.262,1117 65.245,1118 83.254,1119 13.023,1120 184.83,1121 62.559,1122 5.516,1123 5.816,1124 6.495,1125 5.215,1126 5.156,1127 7.458,1128 3.663,1129 17.987,1130 4.999,1131 12.693,1132 1.491,1133 1.52,1134 1.504,1135 1.483,1136 1.483,1137 1.892,1138 0.296,1139 4.201,1140 1.422,1141 4.084,1142 4.111,1143 4.043,1144 4.003,1145 7.427,1146 4.009,1147 4.014,1148 4.043,1149 3.966,1150 3.917,1151 5.017,1152 3.923,1153 3.882,1154 3.927,1155 3.806,1156 3.817,1157 4.844,1158 3.81,1159 3.817,1160 3.87,1161 3.713,1162 3.622,1163 4.737,1164 3.635,1165 3.563,1166 3.608,1167 3.474,1168 3.428,1169 4.581,1170 3.425,1171 3.523,1172 3.565,1173 3.432,1174 3.344,1175 4.387,1176 3.368,1177 3.397,1178 3.458,1179 3.256,1180 3.203,1181 4.269,1182 3.206,1183 3.165,1184 3.226,1185 3.031,1186 2.992,1187 4.195,1188 2.989,1189 0.103,1190 0.087,1191 0.152,1192 0.093,1193 0.072,1194 4.516,1195 0.101,1196 3.816,1197 0.047,1198 6.693,1199 0.246,1200 4.107,1201 0.068,1202 3.156,1203 4.458,1204 2.057,1205 10.834,1206 2.999,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.343,1212 2.12,1213 1.961,1214 1.935,1215 2.07,1216 2.09,1217 1.223,1218 2.084,1219 1.886,1220 1.856,1221 2.024,1222 2.013,1223 1.207,1224 2.017,1225 1.766,1226 1.699,1227 1.947,1228 1.944,1229 1.113,1230 1.952,1231 1.536,1232 1.491,1233 1.745,1234 1.725,1235 0.964,1236 1.726,1237 1.471,1238 1.428,1239 1.683,1240 1.666,1241 0.825,1242 1.676,1243 1.371,1244 1.308,1245 1.614,1246 1.587,1247 0.81,1248 1.604,1249 1.153,1250 1.085,1251 1.513,1252 1.376,1253 0.799,1254 1.429,1255 4.489,1257 5.808,1259 7.328,1261 8.942,1263 10.604,1265 2.008,1271 7.053,1273 11.893,1276 6.79,1280 46.132,1281 106.129,1282 241.797,1283 329.022,1284 390.347,1285 409.102,1286 409.102,1287 58.076,1288 9.114,1289 58.14,1290 58.14,1291 36,1292 12.874,1293 4.644,1294 3.755,1295 55.643,1296 237,1297 220,1298 0.111,1299 277.402,1300 483.09,1301 668.621,1302 165327,1304 26.606,1305 0.682,1306 0.574,1307 26.606,1308 22.383,1309 19.119,1310 0.435,1311 0.31,1312 13.477,1313 18.43,1314 13.153,1315 10.825,1316 19.119,1317 13.662,1318 17.148,1319 0.281,1320 0.169,1321 17.148,1322 10.298,1323 14.64,1324 0.181,1325 0.093,1326 14.64,1327 7.517,1328 12.369,1329 0.116,1330 0.05,1331 12.369,1332 5.354,1333 10.718,1334 0.075,1335 0.028,1336 10.718,1337 3.936,1338 0.183,1339 119.28,1340 0.181,1341 36.11,1342 0.284,1343 210,1344 555.787,1345 228.265,1346 533.663,1347 742.76,1348 506,1349 247,1350 551.109,1351 267.458,1352 557.821,1353 820.15,1354 526,1355 8.2} {0 CHEMBL248407,1 1.441,2 17.775,3 5.076,4 25.766,5 157.116,6 7.062,7 0.511,8 4.422,9 4.54,10 3.961,11 3.968,12 5.429,13 3.94,14 4.997,15 5.178,16 4.31,17 4.364,18 5.949,19 4.318,20 5.263,21 5.471,22 4.383,23 4.539,24 6.204,25 4.455,26 5.339,27 5.573,28 4.268,29 4.547,30 6.176,31 4.418,32 5.368,33 5.63,34 4.206,35 4.498,36 6.175,37 4.365,38 5.267,39 5.512,40 4.201,41 4.441,42 6.124,43 4.322,44 5.227,45 5.464,46 4.211,47 4.426,48 6.118,49 4.32,50 5.231,51 5.463,52 4.18,53 4.434,54 6.085,55 4.32,56 0.035,57 1.087,58 16.55,59 7.178,60 8.776,61 9.616,62 0.328,63 1.833,64 32.172,65 11.483,66 27.611,67 15.917,68 0.641,69 2.278,70 43.392,71 15.479,72 54.87,73 21.551,74 0.377,75 2.342,76 47.223,77 18.345,78 46.477,79 25.619,80 0.529,81 2.348,82 50.433,83 18.149,84 56.089,85 25.604,86 0.503,87 2.163,88 44.836,89 16.349,90 51.22,91 23.036,92 0.486,93 2.123,94 42.798,95 15.303,96 54.628,97 21.501,98 0.442,99 2.105,100 42.849,101 15.764,102 44.641,103 21.81,104 5,105 62,106 0.22,107 0.505,108 0.7,109 0.827,110 0.864,111 0.864,112 3.717,113 0.944,114 -4.23,115 -4.17,116 -3.94,119 43.4,120 1,121 1,125 9,140 13,141 3,142 3,144 2,156 1,169 14,171 1,172 10,178 15,181 4,182 11,189 10,192 1,193 10,199 7,202 1,203 9,211 5,214 2,215 10,222 6,225 2,226 8,233 7,236 1,237 7,244 7,248 1,249 8,256 4,259 3452,260 27.67,261 27.67,262 27.67,263 27.67,264 27.67,265 24.778,266 33.335,267 16.491,268 28.282,269 22.263,270 22.263,271 22.263,272 22.263,273 22.263,274 17.88,275 43.174,276 7.893,277 23.241,278 4.807,279 2.944,280 1.666,281 0.836,282 0.589,283 0.589,284 4.438,289 1,290 1587,291 3.464,295 743.752,299 405.997,302 2.759,303 28.024,306 0.75,307 0.67,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.73,314 85,315 711,316 4.516,317 3.808,318 6.684,319 4.097,320 3.146,321 4.458,322 2.055,323 10.787,324 2.989,325 4.417,326 3.186,327 6.517,328 4.026,329 3.054,330 3.993,331 0.933,332 10.248,333 2.968,334 3.906,335 3.108,336 5.693,337 3.644,338 2.706,339 3.445,340 0.916,341 7.84,342 2.563,343 3.831,344 2.972,345 5.548,346 3.52,347 2.532,348 3.17,349 0.86,350 7.298,351 2.497,352 3.718,353 2.733,354 5.335,355 3.417,356 2.448,357 3.107,358 0.8,359 6.939,360 2.355,361 3.634,362 2.714,363 5.328,364 3.288,365 2.34,366 2.763,367 0.51,368 6.784,369 2.218,370 3.445,371 2.592,372 5.288,373 3.175,374 2.228,375 2.632,376 0.172,377 6.692,378 2.106,379 3.295,380 2.371,381 4.922,382 2.894,383 1.952,384 2.565,386 5.73,387 1.834,388 3.079,389 2.24,390 4.813,391 2.831,392 1.879,393 2.22,395 5.291,396 1.779,397 3.01,398 2.137,399 4.644,400 2.696,401 1.732,402 2.138,404 4.719,405 1.653,406 2.988,407 1.617,408 4.196,409 2.512,410 1.524,411 2.101,413 3.817,414 1.504,415 2.911,416 1.6,417 3.81,418 2.497,419 1.505,420 2.06,422 3.228,423 1.489,424 2.5,425 1.467,426 3.581,427 2.157,428 1.228,429 1.5,431 2.714,432 1.131,433 2.491,434 1.427,435 3.527,436 2.025,437 1.045,438 1.488,440 2.61,441 1.021,442 2.355,443 1.147,444 3.414,445 2,446 1,447 1.315,449 2.275,450 1,451 19.1,452 0.478,453 0.811,454 0.02,455 51.5,456 1.288,457 25,458 0.625,459 26.5,460 0.663,461 37.254,462 0.931,463 42.7,464 0.562,465 40.42,466 1.011,467 10.271,468 0.257,469 9.349,470 0.234,471 0.044,473 0.298,479 0.801,480 1.402,481 0.81,482 1.155,483 0.61,484 1.009,485 1.233,486 1.107,487 0.978,488 0.945,489 0.728,490 0.918,491 1.132,492 0.976,493 1.085,494 0.983,495 0.985,496 1.012,497 0.894,498 1.149,499 1.039,500 1.167,501 0.898,502 1.133,503 1.115,504 0.907,505 0.981,506 0.923,507 1.069,508 0.935,509 1.037,510 1.023,511 0.988,512 0.995,513 0.966,514 0.99,515 1.139,516 0.984,517 1.032,518 0.973,519 1.342,520 0.983,521 1.226,522 1.004,523 1.092,524 1.032,525 1.086,526 1.045,527 7,528 0.223,529 4,530 2,531 2.018,532 1.083,533 0.87,534 0.521,535 0.298,536 0.274,537 33145,538 74995,539 2.182,540 47.4,542 31,546 3,547 2,550 1.794,551 2.105,552 4.048,553 -0.82,559 109.505,560 1.441,561 3.304,562 4.582,563 5.412,564 5.659,565 5.659,566 3.528,567 4.972,568 5.294,569 4.277,570 3336.42,571 9.305,572 62583.1,577 474.842,578 1.141,579 5.28,580 0.156,581 0.007,582 0.065,583 0.031,584 0.037,585 0.021,586 0.017,587 0.01,588 0.006,589 0.007,590 0.354,591 0.5,592 0.75,593 0.349,594 231.945,595 0.019,596 -0.237,597 0.085,598 -0.095,599 0.004,600 -0.015,601 -0.083,602 0.025,603 -0.005,604 0.031,605 0.006,606 0.028,607 0.028,608 0.095,609 -0.097,610 -0.012,611 0.024,612 -0.057,613 0.01,614 -0.176,615 -0.068,616 -0.161,617 0.007,618 -0.132,619 -0.062,620 0.045,621 0.026,622 0.051,623 -0.051,624 0.05,625 0.013,626 -0.048,627 0.008,628 -0.013,629 0.014,630 -0.007,631 -0.048,632 0.026,633 -0.035,634 -0.002,635 -0.057,636 -0.014,637 -0.11,638 -0.012,639 -0.098,640 -0.048,641 -0.079,642 -0.068,643 1.647,644 5.742,645 0.8,646 58.03,647 0.994,648 1.122,649 2.996,650 8.974,651 0.665,652 3.829,653 4.143,654 4.419,655 4.682,656 4.949,657 4.984,658 5.1,659 5.252,660 5.366,661 5.442,662 10.216,663 0.627,664 536.73,665 3.829,666 5.371,667 6.221,668 7.091,669 7.954,670 8.829,671 9.698,672 10.575,673 11.447,674 12.326,675 5.3,678 2,682 1,685 1,687 2,688 13,689 1,693 6,695 23,712 2,714 76,716 24,717 3,718 45,720 81,721 33,722 21,723 7,724 11,730 6,731 8,736 1,743 1,745 22,746 11,750 1,755 1,759 1,764 36,765 7,767 7,773 4,777 0.667,778 3,786 1,793 6,797 2,806 1,815 2,819 4,823 1,827 40,833 10,835 2,838 3,847 3.9,850 1,852 2,854 19,855 13.883,856 8.722,857 4.726,858 4.227,859 1.462,860 1.007,861 8.286,862 13.386,863 4.069,864 4.64,865 5.193,866 5.749,867 6.302,868 6.473,869 6.761,870 7.098,871 7.361,872 7.301,873 0.917,874 64,875 14.857,877 6.312,878 7.525,879 29.182,881 24.414,883 2.025,884 81,888 423.76,889 190.269,890 26.158,892 47.145,895 190.269,896 470.904,897 26.158,898 8.825,899 29.584,900 123.191,901 46.635,902 55.337,904 423.76,906 423.76,907 216.427,908 47.145,911 400.217,912 70.687,915 49.558,916 150.084,917 16.786,919 423.76,920 73.303,921 190.269,924 423.76,925 58.252,926 141.389,928 63.93,929 423.76,930 73.303,931 190.269,933 0.578,934 0.336,935 0.184,936 0.104,937 30,938 12,939 0.111,940 9,941 2,942 1.125,943 5.24,944 391.295,945 0.125,946 32,947 202.877,951 26.764,952 12.384,953 6.494,954 2.039,955 73.303,956 26.788,957 4.608,961 6.027,964 687.332,965 57.5,970 12.742,974 0.02,975 75.527,976 85.265,977 0.231,978 0.529,979 0.733,980 0.866,981 0.906,982 0.906,983 5.307,984 1.952,985 6.184,986 6.692,987 4.828,988 5.328,989 2.659,990 6.965,991 4.746,992 6.483,993 1.879,994 7.718,995 5.73,996 4.29,997 5.027,998 1.803,999 7.789,1000 4.165,1001 7.77,1002 1.732,1003 9.351,1004 5.291,1005 6.392,1006 7.475,1007 3.398,1008 10.889,1009 6.227,1010 9.09,1011 1.524,1012 11.043,1013 4.719,1014 6.686,1015 8.028,1016 3.314,1017 12.58,1018 6.476,1019 10.443,1020 1.505,1021 12.776,1022 3.817,1023 8.221,1024 9.943,1025 4.575,1026 15.191,1027 7.976,1028 11.821,1029 1.228,1030 14.538,1031 3.228,1032 8.925,1033 10.93,1034 4.857,1035 17.26,1036 8.633,1037 13.218,1038 1.045,1039 16.323,1040 2.714,1041 10.217,1042 12.61,1043 5.904,1044 19.707,1045 9.891,1046 3.146,1047 1,1048 18.124,1049 2.61,1050 11.132,1051 13.832,1052 6.371,1053 21.942,1054 10.759,1055 3.054,1056 10.787,1057 19.94,1058 2.275,1059 12.318,1060 15.4,1061 7.288,1062 24.332,1063 11.91,1064 2.706,1065 10.248,1066 21.769,1067 4.458,1068 13.339,1069 16.746,1070 7.856,1071 26.639,1072 12.884,1073 2.532,1074 7.84,1075 23.607,1076 3.993,1077 14.483,1078 18.263,1079 8.696,1080 29.009,1081 13.99,1082 2.448,1083 7.298,1084 25.453,1085 3.445,1086 15.558,1087 19.674,1088 9.324,1089 31.347,1090 15.019,1091 2.34,1092 6.939,1093 27.307,1094 3.17,1095 16.687,1096 21.169,1097 10.117,1098 33.712,1099 16.108,1100 2.228,1101 6.784,1102 29.166,1103 3.107,1104 17.788,1105 22.615,1106 10.781,1107 36.064,1108 17.165,1109 30121,1110 45484,1111 31.205,1112 50.569,1113 66.737,1114 68.098,1115 67.381,1116 66.454,1117 66.394,1118 84.367,1119 12.494,1120 187.03,1121 63.705,1122 5.516,1123 5.808,1124 6.485,1125 5.205,1126 5.146,1127 7.458,1128 3.661,1129 17.934,1130 4.989,1131 12.914,1132 1.483,1133 1.513,1134 1.497,1135 1.477,1136 1.475,1137 1.875,1138 0.278,1139 4.156,1140 1.416,1141 4.084,1142 4.111,1143 4.042,1144 4.003,1145 7.427,1146 4.009,1147 4.01,1148 4.041,1149 3.96,1150 3.912,1151 5.017,1152 3.918,1153 3.898,1154 3.935,1155 3.822,1156 3.836,1157 4.839,1158 3.83,1159 3.824,1160 3.885,1161 3.717,1162 3.624,1163 4.745,1164 3.636,1165 3.578,1166 3.624,1167 3.49,1168 3.429,1169 4.581,1170 3.427,1171 3.532,1172 3.578,1173 3.437,1174 3.385,1175 4.387,1176 3.399,1177 3.404,1178 3.47,1179 3.261,1180 3.215,1181 4.269,1182 3.216,1183 3.314,1184 3.368,1185 3.16,1186 3.137,1187 4.195,1188 3.137,1189 0.1,1190 0.085,1191 0.149,1192 0.091,1193 0.07,1194 4.516,1195 0.099,1196 3.808,1197 0.046,1198 6.684,1199 0.24,1200 4.097,1201 0.066,1202 3.146,1203 4.458,1204 2.055,1205 10.787,1206 2.989,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.344,1212 2.12,1213 1.957,1214 1.929,1215 2.073,1216 2.088,1217 1.256,1218 2.083,1219 1.904,1220 1.876,1221 2.037,1222 2.015,1223 1.22,1224 2.024,1225 1.769,1226 1.701,1227 1.954,1228 1.966,1229 1.143,1230 1.968,1231 1.538,1232 1.493,1233 1.747,1234 1.738,1235 0.971,1236 1.738,1237 1.511,1238 1.463,1239 1.719,1240 1.679,1241 0.893,1242 1.695,1243 1.386,1244 1.32,1245 1.66,1246 1.598,1247 0.825,1248 1.622,1249 1.291,1250 1.24,1251 1.545,1252 1.514,1253 0.804,1254 1.53,1255 4.511,1257 5.826,1259 7.341,1261 8.95,1263 10.607,1265 2.009,1271 8.013,1273 11.913,1276 6.84,1280 47.659,1281 109.505,1282 251.079,1283 348.207,1284 411.333,1285 430.088,1286 430.088,1287 60.949,1288 9.158,1289 58.14,1290 58.14,1291 36,1292 12.864,1293 4.644,1294 3.755,1295 57.745,1296 250,1297 232,1298 0.109,1299 286.994,1300 500.39,1301 692.027,1302 177106,1304 27.313,1305 0.683,1306 0.577,1307 27.313,1308 23.09,1309 19.619,1310 0.436,1311 0.315,1312 13.977,1313 18.927,1314 13.648,1315 11.226,1316 19.619,1317 14.162,1318 17.489,1319 0.282,1320 0.171,1321 17.489,1322 10.613,1323 14.942,1324 0.182,1325 0.095,1326 14.942,1327 7.801,1328 12.557,1329 0.117,1330 0.052,1331 12.557,1332 5.545,1333 10.687,1334 0.076,1335 0.029,1336 10.687,1337 4.027,1338 0.18,1339 122.28,1340 0.179,1341 36.948,1342 0.277,1343 214,1344 559.787,1345 232.265,1346 537.559,1347 748.4,1348 510,1349 251,1350 555.109,1351 271.291,1352 561.203,1353 824.53,1354 530,1355 8.7} {0 CHEMBL248456,1 1.416,2 15.229,3 5.014,4 25.142,5 137.638,6 6.767,7 0.436,8 4.329,9 4.45,10 3.827,11 3.863,12 5.305,13 3.826,14 4.923,15 5.111,16 4.197,17 4.271,18 5.839,19 4.215,20 5.211,21 5.429,22 4.288,23 4.464,24 6.13,25 4.374,26 5.296,27 5.536,28 4.206,29 4.5,30 6.138,31 4.366,32 5.316,33 5.567,34 4.074,35 4.444,36 6.154,37 4.294,38 5.235,39 5.503,40 3.934,41 4.324,42 5.987,43 4.162,44 5.088,45 5.348,46 3.867,47 4.225,48 5.835,49 4.076,50 5.065,51 5.324,52 3.894,53 4.229,54 5.8,55 4.085,56 0.041,57 0.987,58 16.064,59 6.885,60 8.626,61 9.375,62 0.284,63 1.66,64 30.928,65 11.266,66 26.072,67 15.916,68 0.623,69 2.108,70 42.317,71 14.713,72 54.448,73 21.018,74 0.365,75 2.179,76 45.654,77 17.83,78 47.025,79 25.08,80 0.477,81 2.145,82 47.522,83 17.506,84 62.543,85 24.602,86 0.447,87 1.967,88 44.062,89 15.857,90 49.075,91 22.708,92 0.394,93 1.775,94 37.707,95 13.415,96 39.276,97 19.419,98 0.358,99 1.722,100 36.705,101 13.599,102 30.855,103 19.43,104 18,105 55,106 0.222,107 0.537,108 0.777,109 0.843,110 0.848,111 0.848,112 3.588,113 0.982,114 -4.45,115 -4.38,116 -4.12,119 41.4,120 3,121 3,122 1,125 5,127 1,140 8,141 2,142 3,144 2,156 1,169 11,171 1,172 12,178 14,181 3,182 9,189 10,192 1,193 10,199 12,203 11,211 8,215 11,222 5,225 1,226 7,233 6,236 1,237 3,244 10,248 1,249 5,256 8,259 2192,260 23.739,261 23.739,262 23.739,263 23.739,264 23.739,265 21.598,266 30.609,267 13.896,268 24.252,269 19.26,270 19.26,271 19.26,272 19.26,273 19.26,274 15.929,275 36.976,276 6.593,277 20.08,278 4.713,279 2.702,280 1.168,281 0.747,282 0.718,283 0.718,284 4.297,289 1,290 1175,291 3.536,295 523.806,299 348.973,302 2.438,303 25.937,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 74.5,315 533,316 4.516,317 3.836,318 6.837,319 4.151,320 3.202,321 4.458,322 2.055,323 11.267,324 3.037,325 4.444,326 3.185,327 6.517,328 4.026,329 3.054,330 4.002,331 0.933,332 10.248,333 2.968,334 3.88,335 3.064,336 5.81,337 3.694,338 2.715,339 3.17,340 0.86,341 7.985,342 2.663,343 3.719,344 2.895,345 5.571,346 3.475,347 2.514,348 3.149,349 0.8,350 7.472,351 2.416,352 3.651,353 2.661,354 5.331,355 3.294,356 2.346,357 2.785,358 0.51,359 6.835,360 2.221,361 3.454,362 2.591,363 5.291,364 3.219,365 2.271,366 2.632,368 6.699,369 2.146,370 3.295,371 2.584,372 4.925,373 2.95,374 1.986,375 2.567,377 5.739,378 1.903,379 3.133,380 2.171,381 4.813,382 2.871,383 1.891,384 2.22,386 5.291,387 1.856,388 3.072,389 2.07,390 4.766,391 2.833,392 1.848,393 2.192,395 4.96,396 1.795,397 2.989,398 1.71,399 4.347,400 2.512,401 1.524,402 2.1,404 3.834,405 1.504,406 2.744,407 1.597,408 4.196,409 2.425,410 1.462,411 1.803,413 3.816,414 1.402,415 2.491,416 1.461,417 3.527,418 2.16,419 1.228,420 1.488,422 2.714,423 1.134,424 2.142,425 1.319,426 3.414,427 1.984,428 1,429 1.086,431 2.275,432 0.983,433 2.011,434 1.077,435 3.385,436 1.84,437 0.871,438 1,440 2.015,441 0.841,442 2,443 0.964,444 3.314,445 1.736,446 0.805,447 0.94,449 1.897,450 0.741,451 16.7,452 0.477,453 0.87,454 0.025,455 41.75,456 1.193,457 19,458 0.543,459 22.75,460 0.65,461 36.162,462 1.033,463 38.5,464 0.55,465 30.385,466 0.868,467 7.736,468 0.221,469 9.238,470 0.264,471 0.11,473 0.347,479 0.782,480 1.408,481 0.855,482 1.204,483 0.631,484 1.063,485 1.093,486 1.162,487 0.92,488 0.996,489 0.657,490 0.939,491 1.131,492 0.944,493 1.063,494 0.942,495 0.953,496 0.973,497 0.825,498 1.075,499 0.975,500 1.117,501 0.792,502 1.076,503 1.199,504 1.015,505 1.099,506 1.057,507 1.408,508 1.071,509 1.108,510 1.012,511 1.039,512 1,513 0.836,514 1.016,515 1.022,516 1.008,517 1.08,518 1.013,519 0.985,520 1.045,521 0.937,522 0.941,523 0.991,524 0.974,525 0.796,526 0.987,527 7,528 0.223,529 3.778,530 2.438,531 2.067,532 1,533 0.766,534 0.455,535 0.274,536 0.243,537 22017,538 48780,539 2.123,540 50,541 3,542 19,546 3,547 10,550 1.759,551 2,552 3.813,553 -0.822,559 99.134,560 1.416,561 3.427,562 4.961,563 5.383,564 5.411,565 5.411,566 3.234,567 4.958,568 5.106,569 4.082,570 2428.51,571 8.912,572 40958,577 429.05,578 1.366,579 5.067,580 0.179,581 0.009,582 0.069,583 0.042,584 0.04,585 0.023,586 0.02,587 0.013,588 0.007,589 0.008,590 0.409,591 0.33,592 0.75,593 0.651,594 194.398,595 0.023,596 -0.204,597 0.082,598 -0.084,599 -0.01,600 -0.009,601 -0.01,602 -0.037,603 0.068,604 0.023,605 0.065,606 0.051,607 0.022,608 0.14,609 -0.06,610 0.039,611 0.037,612 -0.006,613 0.035,614 -0.095,615 -0.011,616 -0.097,617 0.082,618 -0.065,619 -0.113,620 -0.064,621 -0.107,622 -0.067,623 -0.133,624 -0.085,625 -0.089,626 -0.074,627 -0.048,628 -0.026,629 -0.06,630 -0.034,631 -0.084,632 -0.012,633 -0.096,634 -0.044,635 -0.121,636 -0.068,637 -0.042,638 0.038,639 -0.014,640 0.014,641 -0.04,642 0.004,643 1.63,644 5.373,645 0.743,646 41.618,647 0.992,648 1.125,649 3.216,650 10.344,651 0.651,652 3.689,653 4.025,654 4.304,655 4.585,656 4.828,657 4.86,658 4.949,659 5.081,660 5.136,661 5.193,662 9.163,663 0.609,664 473.67,665 3.689,666 5.242,667 6.098,668 6.982,669 7.852,670 8.738,671 9.613,672 10.5,673 11.378,674 12.266,675 4.3,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 70,716 18,717 2,718 39,720 74,721 29,722 15,723 6,724 6,730 5,731 7,736 3,740 2,741 1,743 4,745 16,746 13,747 1,750 1,755 1,759 1,764 35,765 6,767 6,773 3,777 0.6,778 3,786 1,793 5,797 2,806 1,815 1,819 3,823 3,827 35,833 8,835 2,837 2,838 2,847 4.3,850 1,852 2,854 17.5,855 13.433,856 7.583,857 4.574,858 3.429,859 1.398,860 0.977,861 7.263,862 12.04,863 3.902,864 4.477,865 5.032,866 5.61,867 6.161,868 6.384,869 6.662,870 6.988,871 7.188,872 6.989,873 0.9,874 58,875 13.023,877 5.536,878 7.529,879 25.678,881 21.668,883 2.029,884 71,888 411.989,889 153.999,890 23.034,892 47.145,895 153.999,896 459.133,897 23.034,898 26.476,899 26.23,900 75.81,901 46.635,902 49.027,904 411.989,906 411.989,907 177.033,908 47.145,911 294.278,912 164.856,915 60.731,916 99.517,917 16.786,919 411.989,920 70.179,921 153.999,924 411.989,925 51.713,926 108.534,928 63.93,929 411.989,930 70.179,931 153.999,933 0.586,934 0.343,935 0.191,936 0.106,937 27,938 12,939 0.095,940 7,941 2,942 1.154,943 4.698,944 326.452,945 0.154,946 26,947 169.525,951 24.088,952 10.554,953 5.467,954 2.058,955 70.179,956 16.565,957 4.6,961 4.951,964 636.166,965 48.5,970 12.373,974 0.037,975 69.425,976 78.766,977 0.231,978 0.559,979 0.809,980 0.878,981 0.883,982 0.883,983 5.16,984 1.891,985 6.084,986 5.739,987 4.71,988 5.165,989 2.548,990 6.897,991 4.631,992 6.346,993 1.848,994 7.643,995 5.291,996 4.29,997 4.977,998 1.738,999 7.801,1000 4.181,1001 7.646,1002 1.524,1003 9.299,1004 4.96,1005 6.304,1006 7.324,1007 3.366,1008 10.905,1009 6.148,1010 8.977,1011 1.462,1012 11.015,1013 3.834,1014 6.686,1015 7.966,1016 3.296,1017 12.664,1018 6.491,1019 10.342,1020 1.228,1021 12.77,1022 3.816,1023 8.174,1024 9.821,1025 4.567,1026 15.295,1027 7.94,1028 11.73,1029 1,1030 14.554,1031 2.714,1032 8.944,1033 10.878,1034 4.854,1035 17.425,1036 8.664,1037 13.138,1038 0.871,1039 16.36,1040 2.275,1041 10.216,1042 12.524,1043 5.902,1044 19.899,1045 9.9,1046 3.202,1047 0.805,1048 18.184,1049 2.015,1050 11.178,1051 13.793,1052 6.37,1053 22.187,1054 10.814,1055 3.054,1056 11.267,1057 20.022,1058 1.897,1059 12.363,1060 15.345,1061 7.288,1062 24.608,1063 11.959,1064 2.715,1065 10.248,1066 21.872,1067 4.458,1068 13.418,1069 16.72,1070 7.856,1071 26.962,1072 12.966,1073 2.514,1074 7.985,1075 23.733,1076 4.002,1077 14.57,1078 18.23,1079 8.696,1080 29.369,1081 14.076,1082 2.346,1083 7.472,1084 25.601,1085 3.17,1086 15.67,1087 19.658,1088 9.324,1089 31.751,1090 15.127,1091 2.271,1092 6.835,1093 27.476,1094 3.149,1095 16.812,1096 21.151,1097 10.117,1098 34.155,1099 16.224,1100 1.986,1101 6.699,1102 29.357,1103 2.785,1104 17.934,1105 22.606,1106 10.781,1107 36.55,1108 17.298,1109 20351,1110 30447,1111 26.353,1112 45.563,1113 58.299,1114 59.958,1115 59.878,1116 57.949,1117 57.981,1118 71.773,1119 10.317,1120 167.47,1121 55.734,1122 5.516,1123 5.836,1124 6.417,1125 5.259,1126 5.202,1127 7.458,1128 3.661,1129 18.453,1130 5.037,1131 16.689,1132 1.495,1133 1.537,1134 1.535,1135 1.486,1136 1.487,1137 1.84,1138 0.265,1139 4.294,1140 1.429,1141 4.083,1142 4.11,1143 4.041,1144 4.003,1145 7.427,1146 4.009,1147 4.011,1148 4.04,1149 3.959,1150 3.917,1151 5.016,1152 3.921,1153 3.851,1154 3.908,1155 3.738,1156 3.699,1157 4.834,1158 3.7,1159 3.638,1160 3.696,1161 3.529,1162 3.483,1163 4.58,1164 3.483,1165 3.546,1166 3.593,1167 3.444,1168 3.429,1169 4.358,1170 3.425,1171 3.452,1172 3.512,1173 3.3,1174 3.281,1175 4.269,1176 3.278,1177 3.384,1178 3.429,1179 3.24,1180 3.183,1181 4.206,1182 3.192,1183 3.126,1184 3.206,1185 3.005,1186 2.965,1187 4.186,1188 2.961,1189 0.116,1190 0.098,1191 0.175,1192 0.106,1193 0.082,1194 4.516,1195 0.114,1196 3.836,1197 0.053,1198 6.837,1199 0.289,1200 4.151,1201 0.078,1202 3.202,1203 4.458,1204 2.055,1205 11.267,1206 3.037,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.479,1212 2.121,1213 1.969,1214 1.94,1215 2.102,1216 2.092,1217 1.224,1218 2.095,1219 1.823,1220 1.77,1221 1.994,1222 2.006,1223 1.205,1224 2.006,1225 1.623,1226 1.561,1227 1.871,1228 1.804,1229 1.083,1230 1.828,1231 1.537,1232 1.493,1233 1.751,1234 1.708,1235 0.985,1236 1.724,1237 1.442,1238 1.38,1239 1.698,1240 1.636,1241 0.825,1242 1.659,1243 1.336,1244 1.293,1245 1.57,1246 1.57,1247 0.806,1248 1.576,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.76,1254 1.429,1255 4.369,1257 5.7,1259 7.231,1261 8.856,1263 10.533,1265 6.117,1271 7.329,1273 11.81,1275 0.783,1276 4.377,1280 42.637,1281 99.134,1282 239.913,1283 347.275,1284 376.785,1285 378.785,1286 378.785,1287 58.1,1288 8.611,1289 54.9,1290 54.9,1291 30,1292 12.798,1293 4.248,1294 3.392,1295 52.766,1296 200,1297 172,1298 0.128,1299 258.006,1300 451.37,1301 621.296,1302 86921,1304 24.363,1305 0.696,1306 0.6,1307 24.363,1308 20.997,1309 16.974,1310 0.435,1311 0.327,1312 12.619,1313 16.379,1314 12.225,1315 10.122,1316 16.974,1317 12.77,1318 15.566,1319 0.283,1320 0.183,1321 15.566,1322 10.061,1323 12.95,1324 0.177,1325 0.098,1326 12.95,1327 7.147,1328 11.231,1329 0.116,1330 0.055,1331 11.231,1332 5.296,1333 9.254,1334 0.075,1335 0.031,1336 9.254,1337 3.805,1338 0.21,1339 105.761,1340 0.195,1341 33.026,1342 0.325,1343 188,1344 482.142,1345 204.516,1346 460.427,1347 641.73,1348 436,1349 222,1350 480.348,1351 239.571,1352 483.802,1353 713.19,1354 457,1355 8.4} {0 CHEMBL248457,1 1.516,2 14.906,3 2.965,4 8.794,5 122.852,6 7.209,7 0.472,8 4.201,9 4.319,10 3.754,11 3.715,12 5.224,13 3.7,14 4.776,15 4.956,16 4.109,17 4.108,18 5.765,19 4.079,20 5.028,21 5.231,22 4.157,23 4.274,24 6.015,25 4.202,26 5.083,27 5.327,28 3.987,29 4.258,30 5.905,31 4.128,32 5.057,33 5.325,34 3.862,35 4.164,36 5.846,37 4.025,38 4.937,39 5.194,40 3.788,41 4.056,42 5.75,43 3.923,44 4.855,45 5.107,46 3.749,47 3.995,48 5.672,49 3.873,50 4.83,51 5.076,52 3.739,53 3.988,54 5.63,55 3.87,56 0.01,57 0.887,58 12.944,59 5.481,60 6.758,61 7.31,62 0.278,63 1.46,64 25.621,65 8.723,66 25.891,67 12.113,68 0.593,69 1.773,70 34.226,71 11.61,72 53.101,73 16.134,74 0.316,75 1.769,76 36.89,77 13.823,78 37.45,79 19.576,80 0.395,81 1.68,82 37.166,83 13.01,84 42.337,85 18.71,86 0.413,87 1.511,88 32.676,89 11.296,90 38.812,91 16.34,92 0.38,93 1.432,94 29.838,95 10.055,96 37.109,97 14.587,98 0.315,99 1.384,100 28.951,101 10.099,102 27.837,103 14.368,104 5,105 50,106 0.245,107 0.559,108 0.743,109 0.838,110 0.865,111 0.865,112 3.501,113 0.928,114 -2.89,115 -2.89,116 -2.8,119 41.7,120 1,125 8,140 8,141 2,142 3,144 2,156 1,169 7,172 8,174 1,176 1,178 7,181 3,182 8,184 1,186 2,189 5,192 1,193 6,197 1,199 5,203 5,206 1,211 2,214 2,215 6,222 1,225 2,226 3,237 3,240 1,248 1,249 5,259 1772,260 21.98,261 21.98,262 21.98,263 21.98,264 21.98,265 19.79,266 29.321,267 13.006,268 22.541,269 17.819,270 17.819,271 17.819,272 17.819,273 17.819,274 14.439,275 40.277,276 6.244,277 18.715,278 4.391,279 2.439,280 1.3,281 0.713,282 0.546,283 0.546,284 4.216,288 1,289 1,290 1066,291 3,295 473.795,299 315.241,302 2.367,303 24.459,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 477,316 4.516,317 3.653,318 6.517,319 4.026,320 3.054,321 4.458,322 2.03,323 10.248,324 2.968,325 4.305,326 3.186,327 6.214,328 3.929,329 2.968,330 3.931,331 0.916,332 9.355,333 2.85,334 3.764,335 3.104,336 5.59,337 3.609,338 2.681,339 3.17,340 0.892,341 7.691,342 2.491,343 3.716,344 2.962,345 5.333,346 3.355,347 2.4,348 2.992,349 0.86,350 6.892,351 2.295,352 3.579,353 2.716,354 5.298,355 3.283,356 2.33,357 2.684,358 0.8,359 6.705,360 2.216,361 3.421,362 2.592,363 4.977,364 3.121,365 2.142,366 2.63,367 0.172,368 5.92,369 2.08,370 3.295,371 2.28,372 4.904,373 2.888,374 1.932,375 2.557,376 0.141,377 5.638,378 1.833,379 3.077,380 2.142,381 4.813,382 2.828,383 1.874,384 2.22,386 5.291,387 1.779,388 2.989,389 1.949,390 4.381,391 2.512,392 1.564,393 2.103,395 4.26,396 1.504,397 2.884,398 1.601,399 4.196,400 2.505,401 1.523,402 2.009,404 3.817,405 1.466,406 2.491,407 1.465,408 3.527,409 2.157,410 1.228,411 1.488,413 2.714,414 1.131,415 2.142,416 1.338,417 3.414,418 1.967,419 1,420 1.086,422 2.275,423 0.965,424 2.011,425 1.146,426 3.323,427 1.839,428 0.871,429 1,431 2.013,432 0.839,433 2,434 0.968,435 3.29,436 1.715,437 0.793,438 0.934,440 1.854,441 0.722,442 1.394,443 0.728,444 2.99,445 1.201,446 0.263,447 0.286,449 0.656,450 0.245,451 15.1,452 0.472,453 0.708,454 0.022,455 40.75,456 1.273,457 19,458 0.594,459 21.75,460 0.68,461 27.27,462 0.852,463 34.7,464 0.578,465 29.539,466 0.923,467 8.169,468 0.255,469 7.467,470 0.233,471 0.055,473 0.318,479 0.827,480 1.445,481 0.792,482 1.178,483 0.613,484 1.007,485 1.198,486 1.122,487 0.947,488 0.938,489 0.682,490 0.895,491 1.141,492 0.965,493 1.122,494 0.988,495 1.015,496 1.032,497 0.775,498 1.092,499 0.989,500 1.137,501 0.55,502 1.108,503 0.885,504 0.912,505 0.961,506 0.962,507 0.742,508 0.972,509 0.867,510 1.032,511 1,512 1.022,513 0.791,514 1.034,515 0.932,516 1.01,517 1.049,518 1.001,519 0.991,520 1.033,521 0.993,522 0.989,523 1.043,524 1.018,525 0.747,526 1.034,527 6.5,528 0.165,529 3.111,530 1.625,531 1.676,532 0.701,533 0.604,534 0.33,535 0.213,536 0.188,537 18114,538 44277,539 2.174,540 46.7,542 24,545 1,546 3,550 1.735,551 2.087,552 3.822,553 -0.372,555 1,559 90.956,560 1.516,561 3.468,562 4.607,563 5.194,564 5.361,565 5.361,566 3.243,567 4.789,568 4.975,569 4.039,570 2003.57,571 8.646,572 31732.2,574 1,577 354.413,578 1.198,579 4.954,580 0.181,581 0.007,582 0.062,583 0.032,584 0.041,585 0.019,586 0.018,587 0.01,588 0.007,589 0.007,590 0.385,591 0.33,592 0.88,593 0.406,594 173.382,595 -0.016,596 -0.245,597 0.08,598 -0.103,599 -0.013,600 -0.014,601 -0.099,602 0.011,603 0.012,604 0.043,605 0.038,606 0.049,607 -0.007,608 0.107,609 -0.144,610 -0.016,611 0.005,612 -0.084,613 0.023,614 -0.139,615 -0.03,616 -0.124,617 0.063,618 -0.093,619 -0.029,620 0.018,621 0.027,622 0.02,623 -0.017,624 0.03,625 0.028,626 -0.082,627 -0.014,628 -0.043,629 -0.022,630 -0.041,631 -0.031,632 -0.019,633 -0.065,634 -0.037,635 -0.09,636 -0.056,637 -0.075,638 -0.011,639 -0.063,640 -0.038,641 -0.063,642 -0.047,643 1.764,644 4.553,645 0.813,646 36.625,647 1,648 1.127,649 1.658,650 2.748,651 0.659,652 3.611,653 3.932,654 4.19,655 4.454,656 4.718,657 4.727,658 4.796,659 4.934,660 5.004,661 5.017,662 8.791,663 0.626,664 432.57,665 3.611,666 5.153,667 5.999,668 6.87,669 7.728,670 8.601,671 9.463,672 10.336,673 11.2,674 12.073,675 6.7,678 2,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 60,716 18,717 2,718 36,720 64,721 25,722 15,723 6,724 6,730 5,731 7,736 1,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 7,766 1,767 7,773 4,777 0.6,778 3,786 1,793 5,797 2,805 1,815 2,819 3,823 1,827 32,833 8,834 1,835 2,838 2,847 5,850 1,852 2,854 15.333,855 11.017,856 6.917,857 3.665,858 3.431,859 1.41,860 1.006,861 6.26,862 11.797,863 3.839,864 4.419,865 4.965,866 5.538,867 6.105,868 6.315,869 6.574,870 6.902,871 7.12,872 6.864,873 0.9,874 50,875 11.86,877 5.046,878 7.589,879 23.164,881 19.326,883 2.089,884 66.833,887 1,888 317.82,889 135.062,890 41.045,892 47.145,895 135.062,896 364.964,897 41.045,898 8.825,899 39.83,900 75.81,901 46.635,902 52.151,904 317.82,906 317.82,907 176.107,908 47.145,911 317.82,912 47.145,915 59.804,916 99.517,917 16.786,919 317.82,920 88.19,921 135.062,924 317.82,925 50.427,926 90.884,927 18.011,928 63.93,929 317.82,930 88.19,931 135.062,933 0.582,934 0.333,935 0.182,936 0.105,937 25,938 10,939 0.094,940 6,941 2,942 1.154,943 4.576,944 285.242,945 0.154,946 26,947 154,951 21.197,952 9.451,953 5.065,954 2.041,955 88.19,956 16.205,957 4.581,961 4.618,963 18.011,964 541.071,965 45.5,970 11.553,974 -0.097,975 59.992,976 67.604,977 0.257,978 0.587,979 0.78,980 0.879,981 0.908,982 0.908,983 5.083,984 1.874,985 5.969,986 5.638,987 4.615,988 5.106,989 2.613,990 6.742,991 4.523,992 6.264,993 1.564,994 7.498,995 5.291,996 4.111,997 4.89,998 1.738,999 7.526,1000 3.99,1001 7.558,1002 1.523,1003 9.121,1004 4.26,1005 6.176,1006 7.273,1007 3.358,1008 10.603,1009 5.997,1010 8.881,1011 1.228,1012 10.799,1013 3.817,1014 6.463,1015 7.893,1016 3.233,1017 12.218,1018 6.256,1019 10.238,1020 1,1021 12.514,1022 2.714,1023 7.986,1024 9.772,1025 4.514,1026 14.801,1027 7.731,1028 11.616,1029 0.871,1030 14.255,1031 2.275,1032 8.668,1033 10.815,1034 4.756,1035 16.793,1036 8.384,1037 13.015,1038 0.793,1039 16.015,1040 2.013,1041 9.95,1042 12.474,1043 5.818,1044 19.198,1045 9.626,1046 3.054,1047 0.263,1048 17.792,1049 1.854,1050 10.837,1051 13.736,1052 6.249,1053 21.362,1054 10.484,1055 2.968,1056 10.248,1057 19.581,1058 0.656,1059 12.01,1060 15.296,1061 7.175,1062 23.701,1063 11.622,1064 2.681,1065 9.355,1066 21.382,1067 4.458,1068 13.003,1069 16.669,1070 7.714,1071 25.943,1072 12.586,1073 2.4,1074 7.691,1075 23.192,1076 3.931,1077 14.129,1078 18.184,1079 8.557,1080 28.26,1081 13.68,1082 2.33,1083 6.892,1084 25.01,1085 3.17,1086 15.174,1087 19.612,1088 9.16,1089 30.538,1090 14.696,1091 2.142,1092 6.705,1093 26.834,1094 2.992,1095 16.281,1096 21.107,1097 9.952,1098 32.849,1099 15.773,1100 1.932,1101 5.92,1102 28.665,1103 2.684,1104 17.353,1105 22.564,1106 10.594,1107 35.145,1108 16.816,1109 16513,1110 25986,1111 24.849,1112 39.523,1113 53.254,1114 54.85,1115 54.2,1116 53.201,1117 53.244,1118 67.093,1119 11.624,1120 150.654,1121 50.764,1122 5.516,1123 5.653,1124 6.097,1125 5.134,1126 5.054,1127 7.458,1128 3.634,1129 17.078,1130 4.968,1131 11.353,1132 1.479,1133 1.524,1134 1.506,1135 1.478,1136 1.479,1137 1.864,1138 0.323,1139 4.185,1140 1.41,1141 4.078,1142 4.104,1143 4.039,1144 4,1145 7.429,1146 4.006,1147 3.987,1148 4.02,1149 3.935,1150 3.885,1151 5.016,1152 3.892,1153 3.821,1154 3.885,1155 3.713,1156 3.621,1157 4.847,1158 3.633,1159 3.559,1160 3.604,1161 3.465,1162 3.428,1163 4.581,1164 3.424,1165 3.516,1166 3.558,1167 3.427,1168 3.318,1169 4.387,1170 3.345,1171 3.394,1172 3.453,1173 3.254,1174 3.196,1175 4.269,1176 3.201,1177 3.112,1178 3.206,1179 2.998,1180 2.956,1181 4.195,1182 2.949,1183 3.111,1184 3.175,1185 2.897,1186 2.941,1187 3.888,1188 2.91,1189 0.125,1190 0.101,1191 0.181,1192 0.112,1193 0.085,1194 4.516,1195 0.124,1196 3.653,1197 0.056,1198 6.517,1199 0.285,1200 4.026,1201 0.082,1202 3.054,1203 4.458,1204 2.03,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.342,1212 2.12,1213 1.936,1214 1.91,1215 2.051,1216 2.075,1217 1.221,1218 2.07,1219 1.767,1220 1.699,1221 1.954,1222 1.984,1223 1.152,1224 1.976,1225 1.536,1226 1.491,1227 1.745,1228 1.725,1229 0.963,1230 1.726,1231 1.453,1232 1.409,1233 1.68,1234 1.664,1235 0.825,1236 1.672,1237 1.362,1238 1.303,1239 1.598,1240 1.584,1241 0.805,1242 1.598,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.769,1248 1.429,1249 1.113,1250 1.044,1251 1.424,1252 1.311,1253 0.576,1254 1.35,1255 4.29,1257 5.609,1259 7.125,1261 8.732,1263 10.386,1265 2.004,1271 6.595,1272 2.886,1273 11.55,1276 4.897,1280 37.552,1281 90.956,1282 208.093,1283 276.439,1284 311.659,1285 321.659,1286 321.659,1287 45.009,1288 8.366,1289 66.93,1290 66.93,1291 30,1292 12.616,1293 4.248,1294 3.392,1295 46.239,1296 174,1297 142,1298 0.127,1299 226.431,1300 393.17,1301 544.252,1302 65169,1304 21.916,1305 0.685,1306 0.573,1307 21.916,1308 18.342,1309 15.636,1310 0.434,1311 0.309,1312 10.958,1313 14.971,1314 10.706,1315 8.793,1316 15.636,1317 11.134,1318 14.204,1319 0.284,1320 0.168,1321 14.204,1322 8.409,1323 11.863,1324 0.183,1325 0.093,1326 11.863,1327 6.044,1328 10.025,1329 0.118,1330 0.051,1331 10.025,1332 4.297,1333 8.573,1334 0.077,1335 0.028,1336 8.573,1337 3.123,1338 0.21,1339 98.252,1340 0.201,1341 30.852,1342 0.322,1343 172,1344 480.475,1345 189.571,1346 456.356,1347 630.01,1348 432,1349 201,1350 463.841,1351 219.793,1352 467.09,1353 685.34,1354 440,1355 8} {0 CHEMBL248458,1 1.482,2 15.118,3 3.52,4 12.391,5 132.497,6 6.979,7 0.447,8 4.284,9 4.405,10 3.811,11 3.792,12 5.281,13 3.769,14 4.87,15 5.062,16 4.167,17 4.184,18 5.814,19 4.148,20 5.119,21 5.33,22 4.256,23 4.37,24 6.077,25 4.299,26 5.192,27 5.42,28 4.139,29 4.398,30 6.06,31 4.275,32 5.233,33 5.494,34 4.003,35 4.332,36 6.047,37 4.189,38 5.109,39 5.37,40 3.888,41 4.207,42 5.897,43 4.059,44 4.999,45 5.263,46 3.839,47 4.117,48 5.775,49 3.984,50 4.96,51 5.212,52 3.848,53 4.121,54 5.724,55 3.997,56 0.019,57 0.967,58 14.793,59 6.131,60 7.259,61 8.385,62 0.321,63 1.596,64 29.114,65 9.57,66 25.579,67 13.756,68 0.631,69 1.943,70 38.232,71 12.77,72 50.754,73 18.177,74 0.339,75 1.986,76 40.872,77 15.525,78 43.32,79 21.834,80 0.5,81 1.964,82 44.234,83 15.472,84 54.972,85 22.101,86 0.486,87 1.758,88 38.968,89 13.489,90 44.484,91 19.608,92 0.428,93 1.634,94 34.772,95 11.547,96 38.9,97 17.133,98 0.359,99 1.576,100 33.101,101 11.456,102 26.945,103 16.585,104 11,105 53,106 0.235,107 0.527,108 0.735,109 0.839,110 0.863,111 0.863,112 3.56,113 0.956,114 -3.29,115 -3.28,116 -3.14,119 40.9,120 2,125 9,140 8,141 2,142 3,144 2,156 1,169 7,171 1,172 10,178 7,181 4,182 10,189 5,192 1,193 8,199 6,202 1,203 6,211 4,214 2,215 6,222 2,225 2,226 4,236 1,237 3,248 1,249 5,259 1988,260 23.403,261 23.403,262 23.403,263 23.403,264 23.403,265 21.261,266 31.529,267 13.722,268 24.05,269 18.707,270 18.707,271 18.707,272 18.707,273 18.707,274 15.369,275 42.395,276 6.433,277 19.702,278 4.563,279 2.72,280 1.402,281 0.75,282 0.599,283 0.599,284 4.272,289 1,290 1138,291 3.24,295 506.781,299 337.494,302 2.405,303 25.617,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 73,315 514,316 4.516,317 3.806,318 6.679,319 4.092,320 3.141,321 4.458,322 2.055,323 10.759,324 2.984,325 4.414,326 3.186,327 6.517,328 4.026,329 3.054,330 3.992,331 0.933,332 10.248,333 2.968,334 3.842,335 3.108,336 5.686,337 3.64,338 2.704,339 3.17,340 0.916,341 7.826,342 2.545,343 3.718,344 2.971,345 5.545,346 3.429,347 2.467,348 3.108,349 0.86,350 7.241,351 2.359,352 3.634,353 2.718,354 5.33,355 3.289,356 2.34,357 2.763,358 0.8,359 6.795,360 2.218,361 3.445,362 2.592,363 5.289,364 3.176,365 2.231,366 2.632,367 0.51,368 6.693,369 2.107,370 3.295,371 2.389,372 4.922,373 2.894,374 1.952,375 2.565,376 0.172,377 5.729,378 1.834,379 3.079,380 2.243,381 4.813,382 2.831,383 1.879,384 2.22,386 5.291,387 1.779,388 2.992,389 2.137,390 4.641,391 2.678,392 1.722,393 2.112,395 4.697,396 1.627,397 2.987,398 1.602,399 4.196,400 2.512,401 1.524,402 2.087,404 3.817,405 1.504,406 2.491,407 1.473,408 3.706,409 2.157,410 1.228,411 1.488,413 2.714,414 1.131,415 2.34,416 1.451,417 3.527,418 2.029,419 1.051,420 1.299,422 2.478,423 1.024,424 2.139,425 1.163,426 3.414,427 1.967,428 1,429 1.083,431 2.275,432 0.965,433 2,434 1.146,435 3.317,436 1.837,437 0.868,438 1,440 2.005,441 0.837,442 1.852,443 0.968,444 3.117,445 1.586,446 0.648,447 0.726,449 1.301,450 0.598,451 16.1,452 0.474,453 0.742,454 0.022,455 42,456 1.235,457 19,458 0.559,459 23,460 0.676,461 31.576,462 0.929,463 37.3,464 0.565,465 31.395,466 0.923,467 8.31,468 0.244,469 8.292,470 0.244,471 0.083,473 0.323,479 0.809,480 1.523,481 0.819,482 1.237,483 0.613,484 1.059,485 1.23,486 1.11,487 0.942,488 0.91,489 0.705,490 0.874,491 1.153,492 0.92,493 1.062,494 0.925,495 0.979,496 0.959,497 0.888,498 1.152,499 1.042,500 1.197,501 0.878,502 1.156,503 1.093,504 0.936,505 1.038,506 0.99,507 1.106,508 1.009,509 0.954,510 1.053,511 1.033,512 1.04,513 0.815,514 1.054,515 0.921,516 0.997,517 1.021,518 0.971,519 0.931,520 0.999,521 1.003,522 0.963,523 1.041,524 0.987,525 0.708,526 1.009,527 6.5,528 0.194,529 3.778,530 2.063,531 1.947,532 0.854,533 0.726,534 0.392,535 0.225,536 0.233,537 20664,538 48095,539 2.145,540 48.5,542 26,546 3,547 3,550 1.751,551 2.04,552 3.821,553 -0.788,559 97.793,560 1.482,561 3.324,562 4.642,563 5.294,564 5.446,565 5.446,566 3.242,567 4.455,568 5.064,569 4.068,570 2282.08,571 8.826,572 37731.4,577 398.93,578 1.286,579 5.033,580 0.171,581 0.008,582 0.071,583 0.037,584 0.041,585 0.021,586 0.02,587 0.011,588 0.006,589 0.008,590 0.394,591 0.5,592 0.75,593 0.608,594 187.364,595 0.012,596 -0.304,597 0.088,598 -0.133,599 -0.007,600 -0.033,601 -0.088,602 0.034,603 0.044,604 0.072,605 0.022,606 0.08,607 0.012,608 0.169,609 -0.067,610 0.051,611 0.041,612 -0.003,613 -0.002,614 -0.166,615 -0.083,616 -0.17,617 0.029,618 -0.144,619 -0.082,620 -0.001,621 -0.045,622 -0.009,623 -0.088,624 -0.021,625 0.005,626 -0.108,627 -0.045,628 -0.062,629 -0.039,630 -0.067,631 -0.022,632 -0.004,633 -0.035,634 -0.014,635 -0.069,636 -0.026,637 -0.082,638 0.035,639 -0.062,640 -0.009,641 -0.049,642 -0.027,643 1.641,644 5.152,645 0.765,646 40,647 0.996,648 1.128,649 2.063,650 4.258,651 0.652,652 3.664,653 3.989,654 4.277,655 4.543,656 4.796,657 4.82,658 4.905,659 5.03,660 5.1,661 5.142,662 9.043,663 0.615,664 460.63,665 3.664,666 5.209,667 6.066,668 6.944,669 7.813,670 8.694,671 9.567,672 10.448,673 11.324,674 12.206,675 6.1,678 2,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 66,716 18,717 2,718 38,720 70,721 27,722 15,723 6,724 6,730 5,731 7,736 2,745 16,746 11,750 1,755 1,759 1,764 32,765 7,767 7,773 4,777 0.6,778 3,786 1,793 5,797 2,806 1,815 2,819 3,823 2,827 34,833 9,835 2,838 3,847 4.5,850 1,852 2,854 16.667,855 12.467,856 7.472,857 4.24,858 3.43,859 1.402,860 0.992,861 7,862 11.965,863 3.882,864 4.454,865 5.019,866 5.588,867 6.146,868 6.365,869 6.64,870 6.957,871 7.17,872 6.952,873 0.9,874 56,875 12.626,877 5.341,878 7.554,879 24.762,881 20.597,883 2.054,884 69.833,888 376.675,889 145.993,890 26.158,892 47.145,895 145.993,896 423.82,897 26.158,898 17.65,899 27.049,900 75.81,901 46.635,902 52.151,904 376.675,906 376.675,907 172.151,908 47.145,911 341.362,912 82.458,915 55.849,916 99.517,917 16.786,919 376.675,920 73.303,921 145.993,924 376.675,925 52.532,926 102.833,928 63.93,929 376.675,930 73.303,931 145.993,933 0.58,934 0.346,935 0.191,936 0.106,937 26,938 11,939 0.1,940 7,941 2,942 1.154,943 4.661,944 312.37,945 0.154,946 26,947 166.974,951 23.097,952 10.305,953 5.223,954 2.044,955 73.303,956 16.397,957 4.591,961 4.826,964 595.971,965 47.5,970 12.152,974 0.026,975 65.76,976 74.434,977 0.245,978 0.55,979 0.768,980 0.876,981 0.901,982 0.901,983 5.131,984 1.879,985 6.043,986 5.729,987 4.673,988 5.142,989 2.659,990 6.845,991 4.576,992 6.312,993 1.722,994 7.593,995 5.291,996 4.205,997 4.934,998 1.803,999 7.719,1000 4.067,1001 7.61,1002 1.524,1003 9.242,1004 4.697,1005 6.26,1006 7.308,1007 3.398,1008 10.814,1009 6.07,1010 8.941,1011 1.228,1012 10.948,1013 3.817,1014 6.608,1015 7.945,1016 3.314,1017 12.532,1018 6.379,1019 10.305,1020 1.051,1021 12.694,1022 2.714,1023 8.114,1024 9.809,1025 4.575,1026 15.145,1027 7.839,1028 11.693,1029 1,1030 14.466,1031 2.478,1032 8.858,1033 10.864,1034 4.857,1035 17.227,1036 8.543,1037 13.101,1038 0.868,1039 16.26,1040 2.275,1041 10.135,1042 12.514,1043 5.904,1044 19.677,1045 9.779,1046 3.141,1047 0.648,1048 18.07,1049 2.005,1050 11.076,1051 13.782,1052 6.371,1053 21.916,1054 10.68,1055 3.054,1056 10.759,1057 19.893,1058 1.301,1059 12.256,1060 15.336,1061 7.288,1062 24.308,1063 11.821,1064 2.704,1065 10.248,1066 21.728,1067 4.458,1068 13.293,1069 16.711,1070 7.856,1071 26.615,1072 12.817,1073 2.467,1074 7.826,1075 23.571,1076 3.992,1077 14.436,1078 18.222,1079 8.696,1080 28.986,1081 13.921,1082 2.34,1083 7.241,1084 25.422,1085 3.17,1086 15.52,1087 19.651,1088 9.324,1089 31.322,1090 14.963,1091 2.231,1092 6.795,1093 27.28,1094 3.108,1095 16.65,1096 21.144,1097 10.117,1098 33.686,1099 16.053,1100 1.952,1101 6.693,1102 29.143,1103 2.763,1104 17.756,1105 22.599,1106 10.781,1107 36.036,1108 17.118,1109 19021,1110 29172,1111 25.948,1112 43.046,1113 56.276,1114 57.798,1115 57.959,1116 56.11,1117 56.131,1118 69.961,1119 12.494,1120 160.967,1121 53.437,1122 5.516,1123 5.806,1124 6.259,1125 5.2,1126 5.141,1127 7.458,1128 3.661,1129 17.902,1130 4.984,1131 14.318,1132 1.481,1133 1.521,1134 1.525,1135 1.477,1136 1.477,1137 1.841,1138 0.329,1139 4.236,1140 1.406,1141 4.08,1142 4.107,1143 4.04,1144 4.001,1145 7.427,1146 4.007,1147 3.999,1148 4.031,1149 3.951,1150 3.895,1151 5.016,1152 3.903,1153 3.826,1154 3.893,1155 3.718,1156 3.624,1157 4.834,1158 3.637,1159 3.595,1160 3.649,1161 3.499,1162 3.43,1163 4.581,1164 3.43,1165 3.537,1166 3.584,1167 3.438,1168 3.404,1169 4.387,1170 3.412,1171 3.41,1172 3.48,1173 3.261,1174 3.216,1175 4.269,1176 3.216,1177 3.339,1178 3.397,1179 3.153,1180 3.128,1181 4.195,1182 3.125,1183 3.111,1184 3.206,1185 2.994,1186 2.955,1187 4.093,1188 2.948,1189 0.119,1190 0.1,1191 0.176,1192 0.108,1193 0.083,1194 4.516,1195 0.117,1196 3.806,1197 0.054,1198 6.679,1199 0.283,1200 4.092,1201 0.079,1202 3.141,1203 4.458,1204 2.055,1205 10.759,1206 2.984,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.343,1212 2.12,1213 1.944,1214 1.919,1215 2.056,1216 2.083,1217 1.221,1218 2.076,1219 1.772,1220 1.703,1221 1.964,1222 1.994,1223 1.184,1224 1.988,1225 1.553,1226 1.5,1227 1.81,1228 1.762,1229 1.009,1230 1.776,1231 1.53,1232 1.48,1233 1.743,1234 1.693,1235 0.939,1236 1.71,1237 1.394,1238 1.325,1239 1.67,1240 1.614,1241 0.825,1242 1.638,1243 1.306,1244 1.25,1245 1.565,1246 1.553,1247 0.804,1248 1.562,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.741,1254 1.429,1255 4.344,1257 5.666,1259 7.194,1261 8.817,1263 10.488,1265 4.008,1271 7.318,1273 11.726,1276 6.745,1280 40.605,1281 97.793,1282 219.381,1283 306.401,1284 349.42,1285 359.42,1286 359.42,1287 51.328,1288 8.535,1289 58.14,1290 58.14,1291 30,1292 12.741,1293 4.248,1294 3.392,1295 50.547,1296 193,1297 160,1298 0.127,1299 245.616,1300 427.77,1301 591.063,1302 79537,1304 23.493,1305 0.691,1306 0.588,1307 23.493,1308 19.996,1309 16.602,1310 0.437,1311 0.319,1312 11.92,1313 15.901,1314 11.609,1315 9.558,1316 16.602,1317 12.105,1318 14.816,1319 0.28,1320 0.169,1321 14.816,1322 8.97,1323 12.781,1324 0.18,1325 0.094,1326 12.781,1327 6.65,1328 10.859,1329 0.117,1330 0.051,1331 10.859,1332 4.761,1333 9.059,1334 0.075,1335 0.028,1336 9.059,1337 3.383,1338 0.21,1339 104.174,1340 0.196,1341 32.307,1342 0.324,1343 182,1344 495.787,1345 200.265,1346 470.208,1347 653.25,1348 446,1349 215,1350 485.109,1351 235.124,1352 487.236,1353 719.47,1354 460,1355 9} {0 CHEMBL251541,1 1.526,2 14,3 3.76,4 14.135,5 132.315,6 7.04,7 0.316,8 4.288,9 4.41,10 3.817,11 3.792,12 5.319,13 3.767,14 4.896,15 5.083,16 4.197,17 4.247,18 5.914,19 4.199,20 5.212,21 5.422,22 4.336,23 4.494,24 6.121,25 4.409,26 5.398,27 5.63,28 4.276,29 4.551,30 6.332,31 4.429,32 5.408,33 5.671,34 4.155,35 4.503,36 6.239,37 4.346,38 5.342,39 5.63,40 4.046,41 4.368,42 6.122,43 4.211,44 5.17,45 5.441,46 4.008,47 4.241,48 6.01,49 4.117,50 5.13,51 5.386,52 3.937,53 4.153,54 6.13,55 4.036,56 0.109,57 0.981,58 14.782,59 6.192,60 11.153,61 8.533,62 0.406,63 1.652,64 29.455,65 10.335,66 53.571,67 14.829,68 0.319,69 2.165,70 40.728,71 14.937,72 40,73 21.343,74 0.633,75 2.357,76 51.255,77 18.046,78 93.033,79 25.526,80 0.577,81 2.304,82 52.564,83 18.727,84 84.685,85 27.131,86 0.72,87 2.13,88 50.379,89 15.984,90 75.083,91 24.376,92 0.436,93 1.84,94 41.619,95 13.44,96 51.488,97 20.123,98 0.722,99 1.665,100 40.881,101 12.849,102 91.758,103 18.496,104 30,105 55,106 0.242,107 0.533,108 0.742,109 0.816,110 0.845,111 0.845,112 3.56,113 0.953,114 -4.6,115 -4.52,116 -4.25,119 39.4,121 3,122 2,124 2,125 5,127 1,140 7,141 2,142 3,156 1,164 2,169 11,171 2,172 11,178 13,181 1,182 16,189 12,192 2,193 11,199 7,202 2,203 7,211 4,214 3,215 9,222 3,225 1,226 5,233 3,236 3,237 7,244 4,248 2,249 6,256 4,259 2088,260 23.041,261 23.041,262 23.041,263 23.041,264 23.041,265 21.18,266 33.405,267 13.16,268 23.569,269 18.648,270 18.648,271 18.648,272 18.648,273 18.648,274 15.749,275 43.05,276 6.11,277 19.37,278 4.518,279 2.682,280 1.369,281 0.902,282 0.72,283 0.72,284 4.267,289 1,290 1048,291 3.536,295 468.115,299 273.803,302 2.235,303 34.998,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 74,315 476,316 4.423,317 3.83,318 6.669,319 4.189,320 3.209,321 4.035,322 2.612,323 10.793,324 3.148,325 4.279,326 3.778,327 6.437,328 3.964,329 2.992,330 3.962,331 1.94,332 9.898,333 2.913,334 4.156,335 3.392,336 6.258,337 3.845,338 2.883,339 3.373,340 0.86,341 9.26,342 2.771,343 3.965,344 3.105,345 6.145,346 3.693,347 2.734,348 3.289,349 0.8,350 9.009,351 2.617,352 3.838,353 3.04,354 5.887,355 3.562,356 2.607,357 2.931,358 0.8,359 8.065,360 2.482,361 3.337,362 2.452,363 5.253,364 3.072,365 2.11,366 2.558,367 0.555,368 6.413,369 2.025,370 3.202,371 2.363,372 5.144,373 2.949,374 1.974,375 2.329,377 5.999,378 1.922,379 3.041,380 2.17,381 5.065,382 2.901,383 1.957,384 2.143,386 5.771,387 1.836,388 2.963,389 2.086,390 4.45,391 2.573,392 1.609,393 2.007,395 4.367,396 1.547,397 2.785,398 1.883,399 4.196,400 2.41,401 1.416,402 1.844,404 3.596,405 1.406,406 2.585,407 1.625,408 3.851,409 2.154,410 1.158,411 1.563,413 2.85,414 1.15,415 2.5,416 1.482,417 3.709,418 2,419 1.026,420 1.5,422 2.591,423 1,424 2.226,425 1.347,426 3.467,427 1.984,428 1,429 1.129,431 2.275,432 0.976,433 2.014,434 1.146,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 1,444 3.414,445 1.761,446 0.759,447 0.897,449 1.898,450 0.749,451 15.933,452 0.469,453 0.904,454 0.027,455 40.25,456 1.184,457 17.5,458 0.515,459 22.75,460 0.669,461 34.964,462 1.028,463 38.067,464 0.577,465 31.503,466 0.927,467 7.672,468 0.226,469 8.768,470 0.258,471 0.126,473 0.383,479 0.539,480 1.446,481 0.794,482 1.2,483 0.462,484 1.065,485 0.834,486 1.063,487 0.915,488 0.925,489 0.417,490 0.915,491 0.785,492 1.139,493 1.008,494 1.136,495 0.558,496 1.101,497 1.021,498 1.055,499 1.126,500 1.126,501 1.049,502 1.145,503 0.765,504 1.064,505 0.987,506 1.103,507 0.803,508 1.096,509 0.734,510 0.915,511 0.913,512 0.901,513 0.641,514 0.928,515 0.814,516 0.964,517 0.919,518 0.981,519 0.642,520 0.957,521 1.174,522 0.908,523 1.028,524 0.936,525 1.234,526 0.96,527 7,528 0.186,529 4.889,530 2.438,531 2.347,532 1.368,533 1.012,534 0.628,535 0.382,536 0.271,537 18250,538 47271,539 2.109,540 48.5,541 4,542 24,546 1,547 3,550 1.756,551 1.962,552 3.746,553 -0.758,559 100.719,560 1.526,561 3.362,562 4.675,563 5.143,564 5.325,565 5.325,566 3.245,567 4.455,568 5.056,569 3.943,570 2212.08,571 8.845,572 34193.2,577 398.93,578 1.449,579 5.014,580 0.184,581 0.006,582 0.089,583 0.04,584 0.043,585 0.029,586 0.024,587 0.015,588 0.01,589 0.008,590 0.45,591 0.17,592 0.75,593 0.797,594 183.775,595 0.151,596 -0.176,597 0.087,598 -0.058,599 0.04,600 -0.014,601 0.013,602 0.109,603 0.024,604 0.112,605 0.15,606 0.082,607 -0.053,608 -0.031,609 -0.079,610 -0.096,611 0.029,612 -0.087,613 -0.088,614 -0.059,615 -0.159,616 -0.114,617 -0.074,618 -0.145,619 0.011,620 -0.132,621 -0.028,622 -0.095,623 -0.034,624 -0.078,625 0.048,626 0.017,627 0.067,628 0.047,629 0.008,630 0.058,631 -0.008,632 0.008,633 0.057,634 -0.021,635 0.039,636 0.028,637 -0.013,638 0.013,639 -0.009,640 0.018,641 -0.027,642 0.005,643 2.382,644 6.486,645 0.765,646 40.872,647 1.001,648 1.131,649 3.365,650 11.323,651 0.644,652 3.664,653 4.025,654 4.344,655 4.605,656 4.898,657 5.05,658 5.247,659 5.352,660 5.517,661 5.624,662 8.129,663 0.611,664 464.62,665 3.664,666 5.231,667 6.107,668 7,669 7.89,670 8.788,671 9.683,672 10.583,673 11.481,674 12.383,675 6.1,678 1,681 1,682 1,686 1,688 7,693 5,695 12,708 1,709 1,712 1,714 66,716 15,717 2,718 38,720 70,721 26,722 12,723 5,724 7,730 5,731 8,740 4,741 2,743 4,745 13,746 13,747 2,750 3,752 1,755 3,759 1,764 32,765 7,767 8,773 4,777 0.6,778 4,793 5,797 2,806 1,815 1,819 3,823 2,827 34,833 8,835 1,837 3,838 3,847 6.1,850 1,852 1,853 2,854 17.333,855 12.3,856 7.389,857 4.081,858 2.334,859 1.27,860 0.967,861 6.608,862 10.985,863 3.871,864 4.419,865 4.913,866 5.358,867 5.834,868 6.032,869 6.323,870 6.412,871 6.682,872 6.896,873 1,874 61,875 12.679,877 5.539,878 7.75,879 24.638,881 21.303,883 2.25,884 76.5,888 376.675,889 125.578,890 15.043,892 86.892,895 125.578,896 463.567,897 15.043,898 24.949,899 21.256,900 66.334,901 29.85,902 34.377,904 376.675,905 50.747,906 376.675,907 140.621,908 86.892,911 341.362,912 71.458,913 50.747,915 24.381,916 110.57,917 5.67,919 376.675,920 101.935,921 125.578,924 376.675,925 39.965,926 100.656,928 86.892,929 376.675,930 101.935,931 125.578,933 0.592,934 0.359,935 0.188,936 0.103,937 28,938 13,939 0.057,940 4,941 2,942 1.154,943 4.459,944 328.526,945 0.154,946 26,947 162.974,951 23.283,952 9.65,953 4.602,955 96.265,956 12.991,961 4.714,964 604.188,965 47,967 -0.382,970 35.283,974 0.263,975 66.087,976 74.644,977 0.252,978 0.556,979 0.773,980 0.851,981 0.881,982 0.881,983 5.153,984 1.957,985 6.111,986 5.999,987 4.71,988 5.106,989 3.104,990 6.957,991 4.643,992 6.338,993 1.609,994 7.698,995 5.771,996 4.369,997 4.945,998 2.752,999 7.915,1000 4.263,1001 7.644,1002 1.416,1003 9.382,1004 4.367,1005 6.347,1006 7.188,1007 4.433,1008 11.009,1009 6.218,1010 8.978,1011 1.158,1012 11.121,1013 3.596,1014 6.804,1015 7.826,1016 4.728,1017 12.747,1018 6.638,1019 10.344,1020 1.026,1021 12.893,1022 2.85,1023 8.262,1024 9.582,1025 6.099,1026 15.357,1027 8.077,1028 11.729,1029 1,1030 14.687,1031 2.591,1032 9.074,1033 10.577,1034 6.68,1035 17.419,1036 8.859,1037 13.13,1038 1,1039 16.497,1040 2.275,1041 10.327,1042 12.14,1043 7.88,1044 19.856,1045 10.093,1046 3.209,1047 0.759,1048 18.317,1049 2.275,1050 11.305,1051 13.311,1052 8.617,1053 22.065,1054 11.045,1055 2.992,1056 10.793,1057 20.147,1058 1.898,1059 12.475,1060 14.786,1061 9.718,1062 24.437,1063 12.198,1064 2.883,1065 9.898,1066 21.983,1067 4.035,1068 13.531,1069 16.048,1070 10.547,1071 26.714,1072 13.232,1073 2.734,1074 9.26,1075 23.824,1076 3.962,1077 14.671,1078 17.48,1079 11.591,1080 29.065,1081 14.354,1082 2.607,1083 9.009,1084 25.671,1085 3.373,1086 15.765,1087 18.794,1088 12.473,1089 31.377,1090 15.428,1091 2.11,1092 8.065,1093 27.52,1094 3.289,1095 16.896,1096 20.204,1097 13.483,1098 33.723,1099 16.542,1100 1.974,1101 6.413,1102 29.374,1103 2.931,1104 18.009,1105 21.547,1106 14.398,1107 36.055,1108 17.638,1109 17042,1110 27633,1111 25.372,1112 42.5,1113 58.222,1114 60.379,1115 59.949,1116 57.716,1117 57.699,1118 70.059,1119 15.137,1120 171.601,1121 55.767,1122 5.423,1123 5.83,1124 6.26,1125 5.256,1126 5.209,1127 7.035,1128 4.612,1129 17.76,1130 5.148,1131 17.887,1132 1.532,1133 1.589,1134 1.578,1135 1.519,1136 1.518,1137 1.844,1138 0.398,1139 4.516,1140 1.468,1141 4.076,1142 4.114,1143 4.008,1144 3.987,1145 7.815,1146 3.985,1147 3.994,1148 4.028,1149 3.948,1150 3.87,1151 7.427,1152 3.88,1153 3.839,1154 3.881,1155 3.769,1156 3.694,1157 6.999,1158 3.701,1159 3.725,1160 3.781,1161 3.633,1162 3.534,1163 4.853,1164 3.544,1165 3.479,1166 3.51,1167 3.436,1168 3.235,1169 4.709,1170 3.246,1171 3.353,1172 3.401,1173 3.237,1174 3.118,1175 4.427,1176 3.112,1177 3.307,1178 3.393,1179 3.13,1180 3.027,1181 4.302,1182 3.104,1183 3.247,1184 3.31,1185 3.078,1186 2.977,1187 4.233,1188 2.989,1189 0.116,1190 0.101,1191 0.175,1192 0.11,1193 0.084,1194 4.423,1195 0.106,1196 3.83,1197 0.069,1198 6.669,1199 0.284,1200 4.189,1201 0.083,1202 3.209,1203 4.035,1204 2.612,1205 10.793,1206 3.148,1207 2.027,1208 1.998,1209 2.157,1210 2.14,1211 1.548,1212 2.147,1213 1.935,1214 1.902,1215 2.047,1216 2.102,1217 1.302,1218 2.079,1219 1.792,1220 1.753,1221 1.938,1222 1.978,1223 1.171,1224 1.956,1225 1.675,1226 1.613,1227 1.869,1228 1.881,1229 1.042,1230 1.878,1231 1.363,1232 1.316,1233 1.626,1234 1.644,1235 0.852,1236 1.594,1237 1.308,1238 1.224,1239 1.604,1240 1.55,1241 0.838,1242 1.573,1243 1.206,1244 1.15,1245 1.551,1246 1.544,1247 0.825,1248 1.53,1249 1.168,1250 1.116,1251 1.513,1252 1.474,1253 0.619,1254 1.486,1255 4.344,1257 5.694,1259 7.251,1261 8.897,1263 10.59,1265 3.895,1271 6.553,1273 5.627,1275 0.953,1276 6.602,1280 40.32,1281 100.719,1282 221.921,1283 308.549,1284 339.42,1285 351.42,1286 351.42,1287 67.969,1288 8.651,1289 81.84,1290 81.84,1291 30,1292 12.904,1293 4,1294 3.322,1295 50.315,1296 166,1297 176,1298 0.147,1299 242.947,1300 432.8,1301 584.551,1302 79274,1304 23.819,1305 0.701,1306 0.584,1307 23.819,1308 19.852,1309 16.44,1310 0.433,1311 0.318,1312 11.884,1313 15.671,1314 11.587,1315 9.513,1316 16.44,1317 12.075,1318 15.08,1319 0.274,1320 0.178,1321 15.08,1322 9.792,1323 13.381,1324 0.176,1325 0.104,1326 13.381,1327 7.918,1328 11.051,1329 0.112,1330 0.062,1331 11.051,1332 6.102,1333 9.223,1334 0.069,1335 0.035,1336 9.223,1337 4.667,1338 0.236,1339 104.04,1340 0.199,1341 31.719,1342 0.389,1343 186,1344 525.523,1345 204.18,1346 497.999,1347 670.57,1348 464,1349 224,1350 490.293,1351 243.683,1352 490.881,1353 714.69,1354 459,1355 6.95} {0 CHEMBL255898,1 1.765,2 12,3 1.143,4 1.307,5 102.577,6 9.318,7 0.357,8 3.919,9 4.057,10 3.655,11 3.438,12 5.103,13 3.429,14 4.416,15 4.577,16 4.076,17 3.852,18 5.629,19 3.804,20 4.721,21 4.935,22 4.107,23 3.978,24 5.865,25 3.895,26 4.734,27 4.966,28 4.023,29 3.898,30 5.845,31 3.811,32 4.644,33 4.88,34 3.967,35 3.787,36 5.876,37 3.702,38 4.545,39 4.772,40 3.83,41 3.663,42 5.781,43 3.613,44 4.459,45 4.674,46 3.776,47 3.583,48 5.773,49 3.54,50 4.341,51 4.553,52 3.803,53 3.485,54 5.746,55 3.427,56 0.125,57 0.716,58 6.948,59 3.455,60 16.967,61 4.391,62 0.293,63 1.096,64 13.613,65 6.561,66 35.98,67 8.454,68 0.531,69 1.281,70 31.494,71 8.891,72 68.508,73 11.434,74 0.533,75 1.216,76 31.416,77 8.659,78 76.669,79 11.388,80 0.584,81 1.093,82 29.405,83 8.165,84 95.728,85 10.574,86 0.552,87 1.007,88 25.11,89 6.693,90 70.689,91 8.72,92 0.523,93 0.915,94 22.956,95 6.225,96 67.844,97 7.875,98 0.474,99 0.809,100 18.813,101 5.482,102 79.48,103 7.059,104 31,105 39,106 0.304,107 0.726,108 0.874,109 0.915,110 0.915,111 0.915,112 3.304,113 0.955,114 -1.88,115 -1.94,116 -1.95,117 1,119 37.8,121 2,125 1,127 1,134 1,137 1,140 3,141 2,142 1,149 1,150 1,156 2,157 1,161 1,162 1,163 1,169 5,174 2,175 3,176 6,177 2,178 7,182 2,184 2,185 1,186 7,189 5,193 4,197 7,199 3,201 1,202 1,203 3,207 2,208 4,211 2,213 1,215 2,218 2,219 2,220 3,222 3,226 3,229 2,230 2,231 2,232 1,233 2,237 2,239 1,240 2,241 2,242 3,243 1,244 2,249 1,251 1,252 2,254 3,256 3,259 1066,260 17.154,261 17.154,262 17.154,263 17.154,264 17.154,265 15.336,266 17.45,267 10.131,268 17.574,269 13.82,270 13.82,271 13.82,272 13.82,273 13.82,274 10.914,275 18.108,276 4.851,277 14.523,278 3.727,279 1.278,280 0.417,281 0.178,282 0.178,283 0.178,284 3.982,288 1,289 1,290 659,291 3.464,294 61.08,295 162.435,298 113.801,302 2.154,303 31.485,306 0.75,307 0.83,308 0.83,309 0.7,311 0.83,312 1,313 0.71,314 56.75,315 312,316 4.567,317 3.818,318 6.554,319 4.099,320 3.116,321 4.517,322 1.956,323 10.388,324 3.061,325 4.229,326 3.452,327 6.245,328 3.939,329 2.958,330 3.576,331 1.119,332 9.353,333 2.894,334 3.772,335 3.132,336 5.755,337 3.439,338 2.447,339 3.13,340 1.058,341 7.676,342 2.432,343 3.622,344 2.758,345 5.253,346 3.167,347 2.256,348 2.882,349 0.248,350 6.476,351 2.023,352 3.548,353 2.741,354 4.782,355 3.132,356 2.221,357 2.709,358 0.135,359 5.183,360 2.011,361 3.207,362 2.271,363 4.66,364 2.745,365 1.786,366 2.467,368 5.136,369 1.669,370 3,371 2.044,372 4.534,373 2.641,374 1.674,375 2.105,377 4.617,378 1.572,379 2.812,380 1.692,381 4.2,382 2.406,383 1.435,384 1.877,386 3.727,387 1.375,388 2.581,389 1.54,390 3.72,391 2.282,392 1.329,393 1.524,395 3.005,396 1.239,397 2.214,398 1.42,399 3.315,400 1.799,401 0.802,402 1.064,404 1.932,405 0.791,406 2.069,407 0.703,408 3.183,409 1.569,410 0.607,411 0.835,413 1.448,414 0.573,415 1.409,416 0.696,417 2.751,418 1.185,419 0.217,420 0.247,422 0.486,423 0.207,424 1.22,425 0.512,426 2.654,427 0.792,428 -0.162,429 -0.204,431 -0.408,432 -0.12,433 0.934,434 0.283,435 2.378,436 0.458,437 -0.456,438 -0.543,440 -1.188,441 -0.331,442 0.75,443 0.002,444 2.332,445 0.385,446 -0.537,447 -0.637,449 -1.325,450 -0.511,451 12.9,452 0.496,453 0.736,454 0.028,455 31,456 1.192,457 14,458 0.538,459 17,460 0.654,461 22.537,462 0.867,463 27.9,464 0.62,465 22.915,466 0.881,467 6.104,468 0.235,469 6.332,470 0.244,471 0.217,473 0.349,479 0.906,480 1.224,481 0.516,482 0.757,483 0.724,484 0.784,485 0.545,486 1.144,487 0.581,488 0.933,489 0.467,490 0.992,491 0.985,492 0.959,493 0.897,494 0.947,495 0.965,496 0.996,497 1.199,498 0.978,499 0.706,500 0.905,501 1.205,502 0.975,503 1.095,504 0.912,505 0.735,506 0.84,507 1.124,508 0.901,509 1.26,510 0.921,511 0.634,512 0.8,513 1.359,514 0.871,515 1.37,516 0.942,517 0.679,518 0.839,519 1.523,520 0.9,521 1.251,522 0.938,523 0.664,524 0.878,525 1.375,526 0.96,527 6,528 0.069,529 3.111,530 1.854,531 1.493,532 0.792,533 0.598,534 0.479,535 0.314,536 0.152,537 8189,538 27449,539 2.014,540 42.2,542 7,543 1,545 7,547 4,550 1.687,551 1.857,552 3.509,553 4.422,554 1,555 1,559 79.426,560 1.765,561 4.214,562 5.075,563 5.314,564 5.314,565 5.314,566 3.123,567 4.133,568 4.663,569 3.708,570 1205.09,571 8.066,572 15414.1,574 1,577 247.133,578 1.502,579 4.615,580 0.214,581 0.005,582 0.08,583 0.049,584 0.045,585 0.026,586 0.02,587 0.017,588 0.013,589 0.008,590 0.478,591 0.17,592 0.88,593 1.542,594 129.099,595 -0.194,596 0.037,597 -0.012,598 0.105,599 -0.121,600 0.099,601 0.172,602 0.015,603 0.019,604 -0.026,605 0.135,606 -0.057,607 -0.056,608 0.057,609 -0.055,610 -0.001,611 -0.073,612 -0.033,613 -0.171,614 -0.03,615 -0.003,616 -0.001,617 -0.152,618 -0.009,619 0.003,620 0.017,621 0.021,622 0.072,623 0.022,624 0.066,625 -0.052,626 0.045,627 -0.009,628 0.046,629 -0.108,630 0.045,631 -0.064,632 0.02,633 -0.022,634 0.022,635 -0.089,636 0.011,637 0.016,638 0.03,639 0.043,640 0.002,641 0.074,642 -0.04,643 1.986,644 5.326,645 0.577,646 27.692,647 1.015,648 1.137,649 0.655,650 0.429,651 0.681,652 3.367,653 3.689,654 3.912,655 4.159,656 4.369,657 4.431,658 4.522,659 4.644,660 4.663,661 4.71,662 6.916,663 0.65,664 419.32,665 3.367,666 4.905,667 5.74,668 6.613,669 7.473,670 8.352,671 9.223,672 10.106,673 10.984,674 11.87,675 13.3,676 1,677 1,682 2,683 1,684 1,687 2,688 4,690 1,693 2,695 10,713 1,714 45,716 14,717 1,718 28,719 1,720 47,721 17,722 8,723 3,724 3,725 3,730 3,731 4,734 1,740 1,743 3,745 13,746 4,750 4,754 1,755 2,757 1,759 4,761 1,764 19,765 7,766 7,767 9,768 1,773 6,777 0.667,778 2,788 1,792 1,793 2,796 1,805 2,810 2,812 1,814 1,819 2,822 1,827 26,828 1,833 3,834 3,837 1,846 1,847 4.4,850 2,854 14,855 7.56,856 5.694,857 2.501,858 2.778,859 1.385,860 1.001,861 5.884,862 10.004,863 3.638,864 4.208,865 4.733,866 5.305,867 5.816,868 6.189,869 6.596,870 6.994,871 7.114,872 7.379,873 1,874 38,875 9.608,877 4.128,878 7.997,879 17.884,881 14.592,883 2.497,884 64.917,888 141.253,889 79.15,890 181.341,892 50.29,895 125.104,896 191.543,897 135.387,899 76.093,900 64.963,901 62.456,902 57.271,903 15.814,904 129.482,905 45.954,906 141.253,907 214.537,908 50.29,910 45.954,911 94.169,912 97.374,915 142.562,916 59.742,917 12.233,918 45.954,919 141.253,920 185.677,921 125.104,924 141.253,925 32.198,926 46.952,927 116.772,928 114.859,929 141.253,930 185.677,931 125.104,933 0.583,934 0.323,935 0.167,936 0.093,937 18,938 9,939 0.128,940 6,941 1,942 1.133,943 3.816,944 209.142,945 0.133,946 15,947 122.211,951 18.794,952 8.14,953 4.607,954 1.893,955 168.891,956 7.601,958 3.143,961 1.777,963 135.387,964 452.034,965 37,969 7.083,970 24.573,972 1.66,974 -0.461,975 45.68,976 51.157,977 0.321,978 0.767,979 0.924,980 0.968,981 0.968,982 0.968,983 4.879,984 1.435,985 5.733,986 4.617,987 4.369,988 4.894,989 2.478,990 6.526,991 4.286,992 6.088,993 1.329,994 7.286,995 3.727,996 4.007,997 4.808,998 1.755,999 7.391,1000 3.878,1001 7.399,1002 0.802,1003 8.935,1004 3.005,1005 5.948,1006 7.078,1007 3.222,1008 10.471,1009 5.812,1010 8.742,1011 0.607,1012 10.641,1013 1.932,1014 6.365,1015 7.818,1016 3.179,1017 12.156,1018 6.213,1019 10.117,1020 0.217,1021 12.383,1022 1.448,1023 7.808,1024 9.613,1025 4.281,1026 14.758,1027 7.642,1028 11.513,1029 -0.162,1030 14.15,1031 0.486,1032 8.592,1033 10.751,1034 4.581,1035 16.796,1036 8.42,1037 12.929,1038 -0.456,1039 15.937,1040 -0.408,1041 9.837,1042 12.365,1043 5.495,1044 19.222,1045 9.648,1046 3.116,1047 -0.537,1048 17.738,1049 -1.188,1050 10.798,1051 13.698,1052 5.968,1053 21.415,1054 10.602,1055 2.958,1056 10.388,1057 19.551,1058 -1.325,1059 11.962,1060 15.241,1061 6.776,1062 23.775,1063 11.749,1064 2.447,1065 9.353,1066 21.373,1067 4.517,1068 13.006,1069 16.667,1070 7.339,1071 26.037,1072 12.782,1073 2.256,1074 7.676,1075 23.202,1076 3.576,1077 14.139,1078 18.184,1079 8.088,1080 28.372,1081 13.898,1082 2.221,1083 6.476,1084 25.038,1085 3.13,1086 15.223,1087 19.652,1088 8.699,1089 30.667,1090 14.968,1091 1.786,1092 5.183,1093 26.878,1094 2.882,1095 16.346,1096 21.16,1097 9.414,1098 32.994,1099 16.073,1100 1.674,1101 5.136,1102 28.722,1103 2.709,1104 17.449,1105 22.649,1106 10.052,1107 35.305,1108 17.16,1109 8090,1110 14901,1111 18.205,1112 30.625,1113 42.346,1114 43.658,1115 43.117,1116 41.919,1117 41.693,1118 53.865,1119 9.032,1120 118.855,1121 39.693,1122 5.567,1123 5.818,1124 6.238,1125 5.168,1126 5.116,1127 7.517,1128 3.429,1129 17.236,1130 5.061,1131 15.018,1132 1.512,1133 1.559,1134 1.54,1135 1.497,1136 1.489,1137 1.924,1138 0.323,1139 4.245,1140 1.418,1141 4.132,1142 4.163,1143 6.88,1144 4.062,1145 7.437,1146 4.062,1147 3.866,1148 3.913,1149 4.064,1150 3.691,1151 7.421,1152 3.708,1153 3.653,1154 3.729,1155 3.797,1156 3.488,1157 5.885,1158 3.481,1159 3.463,1160 3.52,1161 3.544,1162 3.322,1163 4.976,1164 3.322,1165 3.357,1166 3.424,1167 3.327,1168 3.145,1169 4.796,1170 3.165,1171 3.159,1172 3.21,1173 3.166,1174 2.933,1175 4.399,1176 2.954,1177 3.029,1178 3.079,1179 3.078,1180 2.822,1181 4.274,1182 2.815,1183 2.907,1184 2.979,1185 2.933,1186 2.637,1187 4.122,1188 2.688,1189 0.163,1190 0.136,1191 0.234,1192 0.146,1193 0.111,1194 4.567,1195 0.161,1196 3.818,1197 0.07,1198 6.554,1199 0.371,1200 4.099,1201 0.109,1202 3.116,1203 4.517,1204 1.956,1205 10.388,1206 3.061,1207 1.94,1208 1.923,1209 1.999,1210 2.027,1211 1.298,1212 2.02,1213 1.8,1214 1.757,1215 1.963,1216 1.978,1217 1.166,1218 1.978,1219 1.637,1220 1.584,1221 1.786,1222 1.851,1223 0.903,1224 1.838,1225 1.464,1226 1.398,1227 1.632,1228 1.713,1229 0.771,1230 1.698,1231 1.287,1232 1.209,1233 1.484,1234 1.576,1235 0.474,1236 1.564,1237 1.102,1238 1.041,1239 1.332,1240 1.336,1241 0.297,1242 1.343,1243 0.938,1244 0.917,1245 1.138,1246 1.237,1247 0.168,1248 1.159,1249 0.812,1250 0.753,1251 1.011,1252 1.124,1253 0.093,1254 1.142,1255 4.043,1257 5.361,1258 2.398,1259 6.858,1260 4.727,1261 8.445,1262 6.823,1263 10.086,1264 3.418,1269 5.202,1271 1.545,1272 8.073,1275 -0.59,1280 29.271,1281 79.426,1282 189.608,1283 228.379,1284 239.133,1285 239.133,1286 239.133,1287 56.288,1288 7.225,1289 135.89,1290 135.89,1291 17,1292 12.403,1293 3.907,1294 3.322,1295 44.6,1296 106,1297 116,1298 0.206,1299 188.913,1300 325.52,1301 452.708,1302 13049,1303 2.2,1304 18.681,1305 0.719,1306 0.594,1307 19.681,1308 15.443,1309 12.436,1310 0.444,1311 0.318,1312 8.047,1313 11.386,1314 7.884,1315 6.508,1316 13.013,1317 8.911,1318 11.54,1319 0.296,1320 0.177,1321 12.356,1322 6.906,1323 8.988,1324 0.183,1325 0.093,1326 9.512,1327 4.578,1328 7.293,1329 0.116,1330 0.05,1331 7.762,1332 3.169,1333 5.912,1334 0.076,1335 0.028,1336 6.397,1337 2.166,1338 0.328,1339 86.442,1340 0.234,1341 25.5,1342 0.548,1343 134,1344 411.102,1345 214.069,1346 438.552,1347 575.83,1348 404,1349 155,1350 389.865,1351 196.409,1352 407.075,1353 590.39,1354 383,1355 5} {0 CHEMBL256047,1 1.932,2 7.611,3 3.847,4 14.796,5 68.591,6 10.143,7 0.316,8 3.498,9 3.614,10 3.297,11 3.033,12 4.681,13 3.035,14 4.053,15 4.221,16 3.745,17 3.422,18 5.523,19 3.402,20 4.269,21 4.47,22 3.964,23 3.576,24 5.555,25 3.518,26 4.2,27 4.383,28 3.782,29 3.493,30 5.426,31 3.425,32 4.203,33 4.421,34 3.582,35 3.359,36 5.537,37 3.248,38 4.02,39 4.275,40 3.137,41 3.081,42 5.128,43 2.951,44 3.765,45 4.02,46 3.072,47 2.739,48 5.136,49 2.691,50 3.553,51 3.793,52 2.804,53 2.389,54 5.101,55 2.373,56 0.168,57 0.557,58 2.956,59 2.43,60 19.529,61 2.647,62 0.567,63 0.93,64 8.995,65 4.502,66 78.627,67 4.9,68 0.709,69 0.848,70 19.717,71 5.465,72 69.73,73 6.118,74 0.552,75 0.759,76 15.494,77 5.122,78 53.986,79 5.807,80 0.702,81 0.699,82 21.296,83 5.084,84 56.254,85 6.343,86 0.553,87 0.632,88 19.998,89 5.325,90 66.968,91 6.467,92 0.451,93 0.619,94 13.545,95 4.116,96 50.178,97 4.7,98 0.583,99 0.485,100 14.492,101 3.422,102 80.076,103 2.722,104 29,105 27,106 0.38,107 0.74,108 0.868,109 0.896,110 0.896,111 0.896,112 2.961,113 0.962,114 -4.71,115 -4.62,116 -4.34,119 37.9,120 1,125 1,127 1,128 1,140 2,141 1,142 3,157 1,169 1,172 2,174 2,175 1,176 2,178 4,186 1,189 5,193 2,197 5,199 3,203 2,208 2,211 2,220 1,231 1,259 308,260 11.569,261 11.569,262 11.569,263 11.569,264 11.569,265 10.504,266 15.695,267 6.699,268 12.151,269 9.335,270 9.335,271 9.335,272 9.335,273 9.335,274 7.699,275 20.678,276 3.178,277 10.448,278 2.926,279 1.091,280 0.44,281 0.302,282 0.302,283 0.302,284 3.609,285 2,288 1,289 1,290 279,291 2.828,295 85.119,299 73.02,302 1.389,303 27.409,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41.167,315 137,316 4.53,317 3.593,318 6.822,319 4.15,320 3.206,321 4.194,322 1.51,323 11.168,324 3.021,325 3.881,326 3.241,327 5.704,328 3.427,329 2.549,330 3.204,331 1.284,332 7.592,333 2.206,334 3.446,335 3.091,336 5.248,337 3.11,338 2.24,339 2.704,340 0.553,341 6.351,342 1.958,343 3.247,344 2.602,345 5.08,346 2.963,347 2.026,348 2.422,349 0.247,350 5.845,351 1.831,352 3.147,353 2.252,354 4.615,355 2.847,356 1.964,357 2.163,359 5.035,360 1.67,361 2.582,362 2.027,363 4.183,364 2.239,365 1.34,366 1.595,368 3.462,369 1.156,370 1.674,371 1.158,372 3.132,373 1.455,374 0.588,375 0.617,377 1.338,378 0.501,379 1.507,380 0.876,381 2.877,382 1.016,383 0.244,384 0.289,386 0.549,387 0.153,388 1.025,389 0.51,390 2.6,391 0.663,392 -0.187,393 -0.209,395 -0.486,396 -0.145,397 0.832,398 0.28,399 2.56,400 0.455,401 -0.457,402 -0.536,404 -1.242,405 -0.396,406 0.289,407 -0.018,408 2,409 0.072,410 -0.825,411 -0.894,413 -2,414 -0.661,416 -0.378,417 1.643,418 -0.3,419 -1,420 -1,422 -2.195,423 -0.7,424 -0.031,425 -0.739,426 1.508,427 -0.404,428 -1.239,429 -1.381,431 -3.228,432 -0.923,433 -0.167,434 -1.008,435 1.339,436 -0.492,437 -1.361,438 -1.544,440 -3.619,441 -1.092,442 -0.268,443 -1.172,444 1.24,445 -0.725,446 -1.458,447 -1.816,449 -4.272,450 -1.34,451 8.7,452 0.483,453 0.6,454 0.033,455 20,456 1.111,457 8,458 0.444,459 12,460 0.667,461 15.165,462 0.842,463 20.7,464 0.714,465 13.349,466 0.742,467 4.059,468 0.225,469 4.427,470 0.246,471 0.287,473 0.402,475 2,479 0.636,480 1.103,481 0.507,482 0.849,483 0.589,484 0.824,485 0.68,486 0.841,487 0.597,488 0.735,489 0.645,490 0.816,491 0.842,492 0.714,493 0.764,494 0.63,495 0.781,496 0.775,497 0.824,498 0.952,499 1.064,500 1.09,501 0.661,502 1.152,503 0.661,504 0.556,505 1.268,506 1.127,507 0.542,508 1.245,509 0.88,510 0.964,511 1.001,512 1.126,513 0.934,514 1.129,515 1.142,516 1.402,517 0.676,518 1.045,519 1.288,520 0.918,521 2.684,522 1.756,523 1.593,524 0.987,525 3.012,526 0.919,527 4.5,529 2.222,530 1.625,531 1.489,532 0.438,533 0.385,534 0.193,535 0.119,536 0.071,537 2417,538 11905,539 1.931,540 37.9,542 5,543 1,545 2,547 3,550 1.588,551 1.742,552 2.908,553 0.538,555 1,557 1,559 56.019,560 1.932,561 3.767,562 4.418,563 4.556,564 4.556,565 4.556,566 2.558,567 3.128,568 4.136,569 3.054,570 467.25,571 7.029,572 4308.74,574 1,575 1,576 1,577 140.881,578 1.572,579 4.056,580 0.237,582 0.082,583 0.058,584 0.062,585 0.024,586 0.032,587 0.018,588 0.017,589 0.014,590 0.544,591 0.83,592 1,593 1.44,594 75.565,595 -0.082,596 -0.122,597 -0.009,598 -0.004,599 -0.083,600 0.02,601 0.115,602 0.187,603 0.049,604 0.141,605 0.151,606 0.064,607 -0.055,608 0.157,609 0.107,610 0.277,611 -0.066,612 0.152,613 -0.125,614 -0.158,615 -0.14,616 -0.178,617 -0.075,618 -0.225,619 0.096,620 0.169,621 -0.219,622 -0.202,623 0.079,624 -0.281,625 -0.016,626 -0.171,627 -0.017,628 -0.132,629 -0.069,630 -0.031,631 0.001,632 -0.358,633 0.215,634 -0.042,635 -0.001,636 0.164,637 -0.668,638 -0.131,639 -0.312,640 0.173,641 -0.622,642 0.083,643 3.764,644 4.116,645 0.556,646 12.444,647 1.044,648 1.157,649 3.476,650 12.084,651 0.696,652 2.996,653 3.332,654 3.555,655 3.807,656 4.025,657 4.043,658 4.094,659 4.06,660 4.06,661 3.611,662 4.6,663 0.677,664 294.15,665 2.996,666 4.533,667 5.371,668 6.256,669 7.12,670 8.012,671 8.889,672 9.784,673 10.667,674 11.563,675 10.3,677 1,680 1,684 1,688 2,693 4,695 6,707 1,713 2,714 29,716 7,717 1,718 19,720 30,721 11,722 6,723 4,724 2,729 1,730 2,731 3,732 2,734 1,736 2,740 1,743 1,745 7,746 4,750 1,758 1,759 1,761 1,762 2,764 11,765 5,766 2,767 7,768 2,773 3,777 0.5,793 2,797 1,814 1,819 1,823 1,824 2,825 2,827 18,833 1,834 2,837 2,846 4,854 10.333,855 5.355,856 3.944,857 1.644,858 1.602,859 1.258,860 0.96,861 4.175,862 7.82,863 3.178,864 3.75,865 4.245,866 4.761,867 5.272,868 5.451,869 5.663,870 5.87,871 6.052,872 5.757,873 1,874 28,875 6.686,877 2.894,878 8.318,879 12.079,881 9.695,883 2.818,884 50.722,888 105.94,889 52.841,890 52.807,891 78.297,893 29.92,895 52.841,896 184.237,897 82.727,898 8.825,899 2.106,900 45.078,901 18.011,902 59.649,903 13.67,904 94.169,905 78.297,906 105.94,907 105.648,908 29.92,909 78.297,911 70.627,912 65.234,914 8.115,915 45.727,916 33.795,917 96.308,919 135.86,920 52.807,921 131.138,924 114.055,925 16.948,926 27.778,927 36.022,928 125.003,929 105.94,930 82.727,931 131.138,933 0.59,934 0.331,935 0.172,936 0.099,937 13,938 7,939 0.067,940 2,941 1,942 1.2,943 2.91,944 126.025,945 0.2,946 10,947 73.059,951 13.686,952 5.491,953 3.002,955 82.727,956 3.4,961 2.379,963 36.022,964 319.805,965 23,973 4.215,974 0.314,975 30.28,976 33.554,977 0.398,978 0.775,979 0.909,980 0.938,981 0.938,982 0.938,983 4.437,984 0.244,985 5.389,986 1.338,987 4.007,988 4.431,989 2.222,990 6.217,991 3.8,992 5.65,993 -0.187,994 6.969,995 0.549,996 3.761,997 4.369,998 0.623,999 7.182,1000 3.398,1001 6.965,1002 -0.457,1003 8.648,1004 -0.486,1005 5.617,1006 6.577,1007 2.744,1008 10.288,1009 5.267,1010 8.314,1011 -0.825,1012 10.384,1013 -1.242,1014 6.111,1015 7.278,1016 1.178,1017 12.077,1018 5.634,1019 9.693,1020 -1,1021 12.157,1022 -2,1023 7.519,1024 9.045,1025 3.418,1026 14.749,1027 7.053,1028 11.095,1029 -1.239,1030 13.959,1031 -2.195,1032 8.366,1033 10.115,1034 1.7,1035 16.903,1036 7.812,1037 12.516,1038 -1.361,1039 15.782,1040 -3.228,1041 9.609,1042 11.701,1043 4.155,1044 19.416,1045 9.043,1046 3.206,1047 -1.458,1048 17.623,1049 -3.619,1050 10.626,1051 12.954,1052 2.213,1053 21.725,1054 9.994,1055 2.549,1056 11.168,1057 19.479,1058 -4.272,1059 11.808,1060 14.458,1061 4.926,1062 24.176,1063 11.147,1064 2.24,1065 7.592,1066 21.347,1067 4.194,1068 12.904,1069 15.802,1070 2.722,1071 26.548,1072 12.186,1073 2.026,1074 6.351,1075 23.224,1076 3.204,1077 14.069,1078 17.268,1079 5.716,1080 28.975,1081 13.309,1082 1.964,1083 5.845,1084 25.11,1085 2.704,1086 15.201,1087 18.657,1088 3.229,1089 31.372,1090 14.386,1091 1.34,1092 5.035,1093 27.002,1094 2.422,1095 16.36,1096 20.106,1097 6.517,1098 33.79,1099 15.498,1100 0.588,1101 3.462,1102 28.9,1103 2.163,1104 17.509,1105 21.516,1106 3.735,1107 36.197,1108 16.59,1109 2553,1110 5721,1111 11.849,1112 20.176,1113 28.66,1114 29.495,1115 29.846,1116 28.436,1117 28.314,1118 34.375,1119 7.189,1120 82.681,1121 24.989,1122 5.431,1123 5.593,1124 6.15,1125 5.222,1126 5.206,1127 7.194,1128 3.02,1129 18.335,1130 5.021,1131 11.176,1132 1.508,1133 1.552,1134 1.571,1135 1.497,1136 1.49,1137 1.809,1138 0.378,1139 4.352,1140 1.315,1141 4.001,1142 4.033,1143 4.147,1144 3.927,1145 8.362,1146 3.926,1147 3.635,1148 3.7,1149 3.674,1150 3.412,1151 7.999,1152 3.433,1153 3.441,1154 3.503,1155 3.459,1156 3.252,1157 5.053,1158 3.256,1159 3.177,1160 3.262,1161 3.379,1162 2.957,1163 4.719,1164 2.963,1165 2.865,1166 2.91,1167 3.121,1168 2.719,1169 4.481,1170 2.705,1171 2.756,1172 2.831,1173 2.965,1174 2.587,1175 4.167,1176 2.585,1177 2.463,1178 2.544,1179 2.485,1180 2.094,1181 3.974,1182 2.129,1183 2.282,1184 2.418,1185 2.249,1186 1.935,1187 3.647,1188 1.925,1189 0.238,1190 0.189,1191 0.359,1192 0.218,1193 0.169,1194 4.53,1195 0.221,1196 3.593,1197 0.079,1198 6.822,1199 0.588,1200 4.15,1201 0.159,1202 3.206,1203 4.194,1204 1.51,1205 11.168,1206 3.021,1207 1.945,1208 1.923,1209 2.007,1210 2.057,1211 1.219,1212 2.05,1213 1.537,1214 1.472,1215 1.719,1216 1.79,1217 0.927,1218 1.773,1219 1.405,1220 1.336,1221 1.672,1222 1.607,1223 0.802,1224 1.634,1225 1.084,1226 1.012,1227 1.276,1228 1.384,1229 0.312,1230 1.363,1231 0.809,1232 0.764,1233 0.97,1234 0.998,1235 0.134,1236 0.991,1237 0.669,1238 0.617,1239 0.879,1240 0.95,1242 0.968,1243 0.342,1244 0.233,1245 0.678,1246 0.663,1248 0.671,1249 0.238,1250 0.098,1251 0.641,1252 0.602,1254 0.646,1255 3.664,1257 4.99,1259 6.515,1261 8.144,1263 9.835,1265 1.825,1266 12.027,1267 24.232,1271 -0.449,1272 5.452,1275 -2.673,1280 19.647,1281 56.019,1282 109.23,1283 128.127,1284 132.127,1285 132.127,1286 132.127,1287 34.757,1288 6.219,1289 36.42,1290 36.42,1291 12,1292 12.091,1293 3,1294 2.322,1295 30.982,1296 51,1297 48,1298 0.33,1299 129.235,1300 228.24,1301 307.093,1302 3161,1303 13.8,1304 13.284,1305 0.738,1306 0.61,1307 12.707,1308 10.987,1309 8.486,1310 0.447,1311 0.321,1312 5.283,1313 7.508,1314 5.127,1315 4.174,1316 8.208,1317 6.091,1318 8.037,1319 0.298,1320 0.173,1321 7.559,1322 4.658,1323 6.192,1324 0.182,1325 0.099,1326 6.705,1327 3.369,1328 5.011,1329 0.114,1330 0.051,1331 5.428,1332 2.253,1333 4.012,1334 0.073,1335 0.026,1336 4.096,1337 1.429,1338 0.498,1339 60.27,1340 0.291,1341 17.843,1342 0.957,1343 92,1344 414.94,1345 137.373,1346 403.644,1347 505.83,1348 374,1349 107,1350 297.134,1351 147.026,1352 308.992,1353 461.87,1354 291,1355 5} {0 CHEMBL256694,1 1.932,2 7.611,3 3.847,4 14.796,5 68.591,6 10.143,7 0.316,8 3.498,9 3.614,10 3.297,11 3.033,12 4.681,13 3.035,14 4.053,15 4.221,16 3.745,17 3.422,18 5.523,19 3.402,20 4.269,21 4.47,22 3.964,23 3.576,24 5.555,25 3.518,26 4.2,27 4.383,28 3.782,29 3.493,30 5.426,31 3.425,32 4.203,33 4.421,34 3.582,35 3.359,36 5.537,37 3.248,38 4.02,39 4.275,40 3.137,41 3.081,42 5.128,43 2.951,44 3.765,45 4.02,46 3.072,47 2.739,48 5.136,49 2.691,50 3.553,51 3.793,52 2.804,53 2.389,54 5.101,55 2.373,56 0.168,57 0.557,58 2.956,59 2.43,60 19.529,61 2.647,62 0.567,63 0.93,64 8.995,65 4.502,66 78.627,67 4.9,68 0.709,69 0.848,70 19.717,71 5.465,72 69.73,73 6.118,74 0.552,75 0.759,76 15.494,77 5.122,78 53.986,79 5.807,80 0.702,81 0.699,82 21.296,83 5.084,84 56.254,85 6.343,86 0.553,87 0.632,88 19.998,89 5.325,90 66.968,91 6.467,92 0.451,93 0.619,94 13.545,95 4.116,96 50.178,97 4.7,98 0.583,99 0.485,100 14.492,101 3.422,102 80.076,103 2.722,104 29,105 27,106 0.38,107 0.74,108 0.868,109 0.896,110 0.896,111 0.896,112 2.961,113 0.962,114 -4.71,115 -4.62,116 -4.34,119 37.9,120 1,125 1,127 1,128 1,140 2,141 1,142 3,157 1,169 1,172 2,174 2,175 1,176 2,178 4,186 1,189 5,193 2,197 5,199 3,203 2,208 2,211 2,220 1,231 1,259 308,260 11.569,261 11.569,262 11.569,263 11.569,264 11.569,265 10.504,266 15.695,267 6.699,268 12.151,269 9.335,270 9.335,271 9.335,272 9.335,273 9.335,274 7.699,275 20.678,276 3.178,277 10.448,278 2.926,279 1.091,280 0.44,281 0.302,282 0.302,283 0.302,284 3.609,285 2,288 1,289 1,290 279,291 2.828,295 85.119,299 73.02,302 1.389,303 27.409,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41.167,315 137,316 4.53,317 3.593,318 6.822,319 4.15,320 3.206,321 4.194,322 1.51,323 11.168,324 3.021,325 3.881,326 3.241,327 5.704,328 3.427,329 2.549,330 3.204,331 1.284,332 7.592,333 2.206,334 3.446,335 3.091,336 5.248,337 3.11,338 2.24,339 2.704,340 0.553,341 6.351,342 1.958,343 3.247,344 2.602,345 5.08,346 2.963,347 2.026,348 2.422,349 0.247,350 5.845,351 1.831,352 3.147,353 2.252,354 4.615,355 2.847,356 1.964,357 2.163,359 5.035,360 1.67,361 2.582,362 2.027,363 4.183,364 2.239,365 1.34,366 1.595,368 3.462,369 1.156,370 1.674,371 1.158,372 3.132,373 1.455,374 0.588,375 0.617,377 1.338,378 0.501,379 1.507,380 0.876,381 2.877,382 1.016,383 0.244,384 0.289,386 0.549,387 0.153,388 1.025,389 0.51,390 2.6,391 0.663,392 -0.187,393 -0.209,395 -0.486,396 -0.145,397 0.832,398 0.28,399 2.56,400 0.455,401 -0.457,402 -0.536,404 -1.242,405 -0.396,406 0.289,407 -0.018,408 2,409 0.072,410 -0.825,411 -0.894,413 -2,414 -0.661,416 -0.378,417 1.643,418 -0.3,419 -1,420 -1,422 -2.195,423 -0.7,424 -0.031,425 -0.739,426 1.508,427 -0.404,428 -1.239,429 -1.381,431 -3.228,432 -0.923,433 -0.167,434 -1.008,435 1.339,436 -0.492,437 -1.361,438 -1.544,440 -3.619,441 -1.092,442 -0.268,443 -1.172,444 1.24,445 -0.725,446 -1.458,447 -1.816,449 -4.272,450 -1.34,451 8.7,452 0.483,453 0.6,454 0.033,455 20,456 1.111,457 8,458 0.444,459 12,460 0.667,461 15.165,462 0.842,463 20.7,464 0.714,465 13.349,466 0.742,467 4.059,468 0.225,469 4.427,470 0.246,471 0.287,473 0.402,475 2,479 0.636,480 1.103,481 0.507,482 0.849,483 0.589,484 0.824,485 0.68,486 0.841,487 0.597,488 0.735,489 0.645,490 0.816,491 0.842,492 0.714,493 0.764,494 0.63,495 0.781,496 0.775,497 0.824,498 0.952,499 1.064,500 1.09,501 0.661,502 1.152,503 0.661,504 0.556,505 1.268,506 1.127,507 0.542,508 1.245,509 0.88,510 0.964,511 1.001,512 1.126,513 0.934,514 1.129,515 1.142,516 1.402,517 0.676,518 1.045,519 1.288,520 0.918,521 2.684,522 1.756,523 1.593,524 0.987,525 3.012,526 0.919,527 4.5,529 2.222,530 1.625,531 1.489,532 0.438,533 0.385,534 0.193,535 0.119,536 0.071,537 2417,538 11905,539 1.931,540 37.9,542 5,543 1,545 2,547 3,550 1.588,551 1.742,552 2.908,553 0.538,555 1,557 1,559 56.019,560 1.932,561 3.767,562 4.418,563 4.556,564 4.556,565 4.556,566 2.558,567 3.128,568 4.136,569 3.054,570 467.25,571 7.029,572 4308.74,574 1,575 1,576 1,577 140.881,578 1.572,579 4.056,580 0.237,582 0.082,583 0.058,584 0.062,585 0.024,586 0.032,587 0.018,588 0.017,589 0.014,590 0.544,591 0.83,592 1,593 1.44,594 75.565,595 -0.082,596 -0.122,597 -0.009,598 -0.004,599 -0.083,600 0.02,601 0.115,602 0.187,603 0.049,604 0.141,605 0.151,606 0.064,607 -0.055,608 0.157,609 0.107,610 0.277,611 -0.066,612 0.152,613 -0.125,614 -0.158,615 -0.14,616 -0.178,617 -0.075,618 -0.225,619 0.096,620 0.169,621 -0.219,622 -0.202,623 0.079,624 -0.281,625 -0.016,626 -0.171,627 -0.017,628 -0.132,629 -0.069,630 -0.031,631 0.001,632 -0.358,633 0.215,634 -0.042,635 -0.001,636 0.164,637 -0.668,638 -0.131,639 -0.312,640 0.173,641 -0.622,642 0.083,643 3.764,644 4.116,645 0.556,646 12.444,647 1.044,648 1.157,649 3.476,650 12.084,651 0.696,652 2.996,653 3.332,654 3.555,655 3.807,656 4.025,657 4.043,658 4.094,659 4.06,660 4.06,661 3.611,662 4.6,663 0.677,664 294.15,665 2.996,666 4.533,667 5.371,668 6.256,669 7.12,670 8.012,671 8.889,672 9.784,673 10.667,674 11.563,675 10.3,677 1,680 1,684 1,688 2,693 4,695 6,707 1,713 2,714 29,716 7,717 1,718 19,720 30,721 11,722 6,723 4,724 2,729 1,730 2,731 3,732 2,734 1,736 2,740 1,743 1,745 7,746 4,750 1,758 1,759 1,761 1,762 2,764 11,765 5,766 2,767 7,768 2,773 3,777 0.5,793 2,797 1,814 1,819 1,823 1,824 2,825 2,827 18,833 1,834 2,837 2,846 4,854 10.333,855 5.355,856 3.944,857 1.644,858 1.602,859 1.258,860 0.96,861 4.175,862 7.82,863 3.178,864 3.75,865 4.245,866 4.761,867 5.272,868 5.451,869 5.663,870 5.87,871 6.052,872 5.757,873 1,874 28,875 6.686,877 2.894,878 8.318,879 12.079,881 9.695,883 2.818,884 50.722,888 105.94,889 52.841,890 52.807,891 78.297,893 29.92,895 52.841,896 184.237,897 82.727,898 8.825,899 2.106,900 45.078,901 18.011,902 59.649,903 13.67,904 94.169,905 78.297,906 105.94,907 105.648,908 29.92,909 78.297,911 70.627,912 65.234,914 8.115,915 45.727,916 33.795,917 96.308,919 135.86,920 52.807,921 131.138,924 114.055,925 16.948,926 27.778,927 36.022,928 125.003,929 105.94,930 82.727,931 131.138,933 0.59,934 0.331,935 0.172,936 0.099,937 13,938 7,939 0.067,940 2,941 1,942 1.2,943 2.91,944 126.025,945 0.2,946 10,947 73.059,951 13.686,952 5.491,953 3.002,955 82.727,956 3.4,961 2.379,963 36.022,964 319.805,965 23,973 4.215,974 0.314,975 30.28,976 33.554,977 0.398,978 0.775,979 0.909,980 0.938,981 0.938,982 0.938,983 4.437,984 0.244,985 5.389,986 1.338,987 4.007,988 4.431,989 2.222,990 6.217,991 3.8,992 5.65,993 -0.187,994 6.969,995 0.549,996 3.761,997 4.369,998 0.623,999 7.182,1000 3.398,1001 6.965,1002 -0.457,1003 8.648,1004 -0.486,1005 5.617,1006 6.577,1007 2.744,1008 10.288,1009 5.267,1010 8.314,1011 -0.825,1012 10.384,1013 -1.242,1014 6.111,1015 7.278,1016 1.178,1017 12.077,1018 5.634,1019 9.693,1020 -1,1021 12.157,1022 -2,1023 7.519,1024 9.045,1025 3.418,1026 14.749,1027 7.053,1028 11.095,1029 -1.239,1030 13.959,1031 -2.195,1032 8.366,1033 10.115,1034 1.7,1035 16.903,1036 7.812,1037 12.516,1038 -1.361,1039 15.782,1040 -3.228,1041 9.609,1042 11.701,1043 4.155,1044 19.416,1045 9.043,1046 3.206,1047 -1.458,1048 17.623,1049 -3.619,1050 10.626,1051 12.954,1052 2.213,1053 21.725,1054 9.994,1055 2.549,1056 11.168,1057 19.479,1058 -4.272,1059 11.808,1060 14.458,1061 4.926,1062 24.176,1063 11.147,1064 2.24,1065 7.592,1066 21.347,1067 4.194,1068 12.904,1069 15.802,1070 2.722,1071 26.548,1072 12.186,1073 2.026,1074 6.351,1075 23.224,1076 3.204,1077 14.069,1078 17.268,1079 5.716,1080 28.975,1081 13.309,1082 1.964,1083 5.845,1084 25.11,1085 2.704,1086 15.201,1087 18.657,1088 3.229,1089 31.372,1090 14.386,1091 1.34,1092 5.035,1093 27.002,1094 2.422,1095 16.36,1096 20.106,1097 6.517,1098 33.79,1099 15.498,1100 0.588,1101 3.462,1102 28.9,1103 2.163,1104 17.509,1105 21.516,1106 3.735,1107 36.197,1108 16.59,1109 2553,1110 5721,1111 11.849,1112 20.176,1113 28.66,1114 29.495,1115 29.846,1116 28.436,1117 28.314,1118 34.375,1119 7.189,1120 82.681,1121 24.989,1122 5.431,1123 5.593,1124 6.15,1125 5.222,1126 5.206,1127 7.194,1128 3.02,1129 18.335,1130 5.021,1131 11.176,1132 1.508,1133 1.552,1134 1.571,1135 1.497,1136 1.49,1137 1.809,1138 0.378,1139 4.352,1140 1.315,1141 4.001,1142 4.033,1143 4.147,1144 3.927,1145 8.362,1146 3.926,1147 3.635,1148 3.7,1149 3.674,1150 3.412,1151 7.999,1152 3.433,1153 3.441,1154 3.503,1155 3.459,1156 3.252,1157 5.053,1158 3.256,1159 3.177,1160 3.262,1161 3.379,1162 2.957,1163 4.719,1164 2.963,1165 2.865,1166 2.91,1167 3.121,1168 2.719,1169 4.481,1170 2.705,1171 2.756,1172 2.831,1173 2.965,1174 2.587,1175 4.167,1176 2.585,1177 2.463,1178 2.544,1179 2.485,1180 2.094,1181 3.974,1182 2.129,1183 2.282,1184 2.418,1185 2.249,1186 1.935,1187 3.647,1188 1.925,1189 0.238,1190 0.189,1191 0.359,1192 0.218,1193 0.169,1194 4.53,1195 0.221,1196 3.593,1197 0.079,1198 6.822,1199 0.588,1200 4.15,1201 0.159,1202 3.206,1203 4.194,1204 1.51,1205 11.168,1206 3.021,1207 1.945,1208 1.923,1209 2.007,1210 2.057,1211 1.219,1212 2.05,1213 1.537,1214 1.472,1215 1.719,1216 1.79,1217 0.927,1218 1.773,1219 1.405,1220 1.336,1221 1.672,1222 1.607,1223 0.802,1224 1.634,1225 1.084,1226 1.012,1227 1.276,1228 1.384,1229 0.312,1230 1.363,1231 0.809,1232 0.764,1233 0.97,1234 0.998,1235 0.134,1236 0.991,1237 0.669,1238 0.617,1239 0.879,1240 0.95,1242 0.968,1243 0.342,1244 0.233,1245 0.678,1246 0.663,1248 0.671,1249 0.238,1250 0.098,1251 0.641,1252 0.602,1254 0.646,1255 3.664,1257 4.99,1259 6.515,1261 8.144,1263 9.835,1265 1.825,1266 12.027,1267 24.232,1271 -0.449,1272 5.452,1275 -2.673,1280 19.647,1281 56.019,1282 109.23,1283 128.127,1284 132.127,1285 132.127,1286 132.127,1287 34.757,1288 6.219,1289 36.42,1290 36.42,1291 12,1292 12.091,1293 3,1294 2.322,1295 30.982,1296 51,1297 48,1298 0.33,1299 129.235,1300 228.24,1301 307.093,1302 3161,1303 13.8,1304 13.284,1305 0.738,1306 0.61,1307 12.707,1308 10.987,1309 8.486,1310 0.447,1311 0.321,1312 5.283,1313 7.508,1314 5.127,1315 4.174,1316 8.208,1317 6.091,1318 8.037,1319 0.298,1320 0.173,1321 7.559,1322 4.658,1323 6.192,1324 0.182,1325 0.099,1326 6.705,1327 3.369,1328 5.011,1329 0.114,1330 0.051,1331 5.428,1332 2.253,1333 4.012,1334 0.073,1335 0.026,1336 4.096,1337 1.429,1338 0.498,1339 60.27,1340 0.291,1341 17.843,1342 0.957,1343 92,1344 414.94,1345 137.373,1346 403.644,1347 505.83,1348 374,1349 107,1350 297.134,1351 147.026,1352 308.992,1353 461.87,1354 291,1355 6.633} {0 CHEMBL257744,1 1.921,2 7.737,3 2.888,4 8.34,5 68.469,6 8.78,7 0.3,8 3.618,9 3.738,10 3.295,11 3.072,12 4.787,13 3.087,14 4.176,15 4.357,16 3.7,17 3.434,18 5.577,19 3.435,20 4.35,21 4.551,22 3.812,23 3.575,24 5.582,25 3.556,26 4.354,27 4.539,28 3.762,29 3.589,30 5.521,31 3.549,32 4.427,33 4.632,34 3.68,35 3.557,36 5.698,37 3.466,38 4.359,39 4.631,40 3.169,41 3.363,42 5.368,43 3.198,44 4.118,45 4.432,46 3.062,47 2.916,48 5.271,49 2.829,50 3.697,51 3.941,52 2.772,53 2.453,54 5.163,55 2.486,56 0.159,57 0.599,58 5.383,59 2.866,60 15.129,61 3.381,62 0.637,63 0.983,64 13.621,65 4.903,66 78.815,67 5.731,68 0.697,69 0.941,70 18.823,71 5.359,72 61.934,73 6.831,74 0.569,75 0.907,76 16.952,77 5.706,78 48.022,79 7.182,80 0.798,81 0.884,82 23.162,83 5.775,84 58.659,85 7.871,86 0.634,87 0.802,88 24.355,89 6.545,90 62.99,91 8.791,92 0.549,93 0.71,94 19.248,95 5.044,96 54.621,97 6.815,98 0.578,99 0.544,100 12.838,101 3.005,102 68.85,103 2.509,104 32,105 28,106 0.366,107 0.712,108 0.86,109 0.883,110 0.883,111 0.883,112 3.011,113 0.921,114 -3.9,115 -3.85,116 -3.66,119 36.4,120 1,124 1,125 1,127 1,128 1,140 2,141 1,142 3,157 1,169 1,172 3,174 2,175 1,176 2,178 3,182 3,189 3,192 1,193 3,195 1,197 4,199 1,203 1,208 3,211 2,218 1,231 1,259 371,260 12.439,261 12.439,262 12.439,263 12.439,264 12.439,265 11.451,266 17.705,267 7.234,268 13.092,269 9.782,270 9.782,271 9.782,272 9.782,273 9.782,274 8.177,275 22.799,276 3.331,277 10.831,278 3.124,279 1.31,280 0.531,281 0.409,282 0.409,283 0.409,284 3.662,285 1,288 1,289 1,290 298,291 3,295 90.902,299 78.031,302 1.435,303 27.688,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 43.833,315 147,316 4.55,317 3.557,318 6.868,319 4.181,320 3.223,321 4.224,322 1.51,323 11.406,324 3.085,325 3.894,326 3.238,327 5.777,328 3.466,329 2.572,330 3.241,331 1.269,332 7.83,333 2.276,334 3.429,335 3.07,336 5.254,337 3.122,338 2.246,339 2.63,340 0.86,341 6.416,342 1.961,343 3.259,344 2.621,345 5.082,346 2.975,347 2.029,348 2.441,349 0.574,350 5.852,351 1.905,352 3.137,353 2.229,354 4.616,355 2.853,356 1.971,357 2.151,358 0.268,359 5.036,360 1.685,361 2.685,362 2.082,363 4.278,364 2.358,365 1.455,366 1.703,368 3.727,369 1.289,370 1.791,371 1.184,372 3.249,373 1.493,374 0.636,375 0.693,377 1.369,378 0.537,379 1.71,380 1.003,381 3.017,382 1.43,383 0.567,384 0.634,386 1.101,387 0.469,388 1.198,389 0.631,390 2.677,391 0.92,392 0.043,393 0.047,395 0.089,396 0.034,397 0.875,398 0.51,399 2.582,400 0.466,401 -0.457,402 -0.535,404 -1.024,405 -0.374,406 0.711,407 0.006,408 2.26,409 0.383,410 -0.493,411 -0.544,413 -1.278,414 -0.437,415 0.264,416 -0.017,417 2,418 0.071,419 -0.828,420 -0.955,422 -2,423 -0.7,424 0.017,425 -0.492,426 1.635,427 -0.3,428 -1,429 -1,431 -2.208,432 -0.722,434 -0.755,435 1.434,436 -0.417,437 -1.239,438 -1.379,440 -3.248,441 -0.987,442 -0.346,443 -1.109,444 1.324,445 -0.492,446 -1.419,447 -1.624,449 -3.756,450 -1.296,451 8.819,452 0.464,453 0.562,454 0.03,455 21.25,456 1.118,457 8.5,458 0.447,459 12.75,460 0.671,461 15.75,462 0.829,463 22.381,464 0.678,465 15.004,466 0.79,467 4.415,468 0.232,469 4.61,470 0.243,471 0.259,473 0.397,475 2,479 0.69,480 1.187,481 0.579,482 1.088,483 0.598,484 0.965,485 0.831,486 0.821,487 0.671,488 0.761,489 0.673,490 0.79,491 0.842,492 0.773,493 0.867,494 0.821,495 0.787,496 0.844,497 0.817,498 0.955,499 0.939,500 1.046,501 0.624,502 1.097,503 0.747,504 0.676,505 1.338,506 1.212,507 0.528,508 1.327,509 0.744,510 0.896,511 1.169,512 1.185,513 0.795,514 1.243,515 0.836,516 1.103,517 0.472,518 0.841,519 0.956,520 0.716,521 2.565,522 1.679,523 1.445,524 0.833,525 2.888,526 0.85,527 4.5,529 2.222,530 1.75,531 1.609,532 0.528,533 0.425,534 0.193,535 0.119,536 0.111,537 2762,538 11968,539 1.935,540 42.4,542 8,543 1,545 2,547 3,550 1.605,551 1.754,552 2.929,553 0.497,555 1,556 1,557 1,559 63.388,560 1.921,561 3.735,562 4.514,563 4.635,564 4.635,565 4.635,566 2.55,567 4.037,568 4.212,569 3.093,570 528.853,571 7.191,572 5091.51,573 1,574 1,575 1,576 1,577 166.465,578 1.568,579 4.14,580 0.225,582 0.079,583 0.058,584 0.057,585 0.024,586 0.033,587 0.016,588 0.015,589 0.019,590 0.526,591 0.83,592 1,593 1.519,594 81.454,595 -0.082,596 -0.165,597 0.006,598 -0.08,599 -0.087,600 -0.014,601 0.057,602 0.199,603 0.073,604 0.189,605 0.149,606 0.138,607 -0.03,608 0.157,609 0.007,610 0.124,611 -0.058,612 0.095,613 -0.09,614 -0.112,615 -0.099,616 -0.093,617 -0.062,618 -0.149,619 0.025,620 0.096,621 -0.274,622 -0.255,623 0.051,624 -0.379,625 -0.017,626 -0.137,627 -0.143,628 -0.215,629 -0.067,630 -0.195,631 0.106,632 -0.269,633 0.419,634 0.078,635 0.102,636 0.349,637 -0.616,638 -0.083,639 -0.289,640 0.153,641 -0.536,642 0.028,643 3.763,644 4.172,645 0.526,646 13.823,647 1.035,648 1.159,649 2.668,650 7.12,651 0.653,652 3.045,653 3.367,654 3.611,655 3.892,656 4.111,657 4.111,658 4.205,659 4.174,660 4.19,661 3.807,662 4.747,663 0.638,664 289.74,665 3.045,666 4.575,667 5.416,668 6.304,669 7.174,670 8.069,671 8.951,672 9.848,673 10.737,674 11.636,675 9.1,677 2,684 1,688 2,693 4,695 6,712 1,713 1,714 33,716 7,717 1,718 20,720 34,721 12,722 6,723 4,724 2,725 1,729 1,730 2,731 3,732 1,734 1,736 2,740 1,743 1,745 7,746 5,750 1,758 1,759 1,760 1,761 1,762 2,764 14,765 6,766 2,767 7,768 1,773 3,777 0.5,778 1,793 2,797 1,814 2,819 1,823 2,824 1,825 2,827 19,833 1,834 2,835 1,837 2,846 3,847 3,852 1,854 10.833,855 6.379,856 4.278,857 1.821,858 1.642,859 1.259,860 0.942,861 4.476,862 7.976,863 3.219,864 3.773,865 4.301,866 4.855,867 5.372,868 5.582,869 5.856,870 6.014,871 6.194,872 5.93,873 1,874 30,875 7.058,877 2.999,878 8.243,879 12.827,881 10.11,883 2.743,884 52.111,888 141.253,889 65.467,890 52.807,891 39.149,892 11,893 29.92,895 65.467,896 191.402,897 82.727,898 19.708,899 2.106,900 63.089,902 72.392,903 13.67,904 129.482,905 39.149,906 141.253,907 118.274,908 40.92,909 39.149,911 105.94,912 76.233,914 8.115,915 63.738,916 46.421,917 39.149,919 171.173,920 63.807,921 104.615,924 149.368,925 18.691,926 38.661,927 36.022,928 96.854,929 141.253,930 93.727,931 104.615,933 0.58,934 0.334,935 0.186,936 0.106,937 13,938 7,939 0.088,940 3,941 1,942 1.2,943 2.989,944 136.321,945 0.2,946 10,947 78.711,951 14.346,952 5.927,953 3.095,955 93.727,956 3.41,961 2.52,963 36.022,964 339.596,965 24,973 4.24,974 0.324,975 34.167,976 38.234,977 0.381,978 0.74,979 0.895,980 0.919,981 0.919,982 0.919,983 4.472,984 0.567,985 5.425,986 1.369,987 4.043,988 4.454,989 2.371,990 6.26,991 3.862,992 5.674,993 0.043,994 7.004,995 1.101,996 3.761,997 4.369,998 0.623,999 7.252,1000 3.476,1001 6.987,1002 -0.457,1003 8.684,1004 0.089,1005 5.652,1006 6.602,1007 2.799,1008 10.363,1009 5.353,1010 8.335,1011 -0.493,1012 10.423,1013 -1.024,1014 6.133,1015 7.302,1016 1.178,1017 12.196,1018 5.761,1019 9.716,1020 -0.828,1021 12.201,1022 -1.278,1023 7.559,1024 9.083,1025 3.426,1026 14.867,1027 7.175,1028 11.12,1029 -1,1030 14.008,1031 -2,1032 8.404,1033 10.16,1034 1.679,1035 17.062,1036 7.976,1037 12.545,1038 -1.239,1039 15.838,1040 -2.208,1041 9.655,1042 11.754,1043 4.148,1044 19.58,1045 9.207,1046 3.223,1047 -1.419,1048 17.686,1049 -3.248,1050 10.677,1051 13.017,1052 2.161,1053 21.922,1054 10.194,1055 2.572,1056 11.406,1057 19.549,1058 -3.756,1059 11.865,1060 14.528,1061 4.916,1062 24.386,1063 11.356,1064 2.246,1065 7.83,1066 21.424,1067 4.224,1068 12.967,1069 15.881,1070 2.637,1071 26.784,1072 12.423,1073 2.029,1074 6.416,1075 23.308,1076 3.241,1077 14.136,1078 17.353,1079 5.706,1080 29.228,1081 13.561,1082 1.971,1083 5.852,1084 25.201,1085 2.63,1086 15.274,1087 18.75,1088 3.111,1089 31.648,1090 14.663,1091 1.455,1092 5.036,1093 27.1,1094 2.441,1095 16.438,1096 20.206,1097 6.509,1098 34.086,1099 15.792,1100 0.636,1101 3.727,1102 29.004,1103 2.151,1104 17.592,1105 21.624,1106 3.585,1107 36.515,1108 16.907,1109 2922,1110 6146,1111 12.542,1112 21.534,1113 29.709,1114 30.37,1115 31.481,1116 29.576,1117 29.482,1118 35.528,1119 8.962,1120 85.654,1121 26.481,1122 5.475,1123 5.557,1124 6.372,1125 5.253,1126 5.223,1127 7.224,1128 3.02,1129 18.588,1130 5.085,1131 11.699,1132 1.485,1133 1.518,1134 1.574,1135 1.479,1136 1.474,1137 1.776,1138 0.448,1139 4.283,1140 1.324,1141 4.006,1142 4.037,1143 4.059,1144 3.915,1145 8.362,1146 3.921,1147 3.633,1148 3.698,1149 3.66,1150 3.399,1151 7.999,1152 3.422,1153 3.454,1154 3.52,1155 3.456,1156 3.261,1157 5.02,1158 3.263,1159 3.271,1160 3.335,1161 3.127,1162 3.011,1163 4.71,1164 3.031,1165 3.142,1166 3.228,1167 3.097,1168 2.876,1169 4.49,1170 2.882,1171 2.763,1172 2.82,1173 2.968,1174 2.604,1175 4.119,1176 2.596,1177 2.701,1178 2.795,1179 2.492,1180 2.523,1181 4.024,1182 2.508,1183 2.503,1184 2.6,1185 2.399,1186 2.114,1187 3.691,1188 2.148,1189 0.227,1190 0.178,1191 0.343,1192 0.209,1193 0.161,1194 4.55,1195 0.211,1196 3.557,1197 0.076,1198 6.868,1199 0.57,1200 4.181,1201 0.154,1202 3.223,1203 4.224,1204 1.51,1205 11.406,1206 3.085,1207 1.944,1208 1.923,1209 2.018,1210 2.068,1211 1.225,1212 2.056,1213 1.532,1214 1.466,1215 1.722,1216 1.797,1217 0.928,1218 1.776,1219 1.417,1220 1.347,1221 1.685,1222 1.639,1223 0.814,1224 1.656,1225 1.205,1226 1.137,1227 1.569,1228 1.512,1229 0.574,1230 1.531,1231 1.061,1232 0.982,1233 1.271,1234 1.361,1235 0.305,1236 1.344,1237 0.727,1238 0.664,1239 0.975,1240 0.979,1241 0.099,1242 0.981,1243 0.64,1244 0.586,1245 0.841,1246 0.902,1248 0.906,1249 0.398,1250 0.273,1251 0.74,1252 0.735,1254 0.747,1255 3.714,1257 5.03,1259 6.553,1261 8.185,1263 9.88,1265 3.416,1266 6.05,1267 24.343,1271 -0.446,1272 5.556,1273 5.266,1275 -2.567,1280 21.061,1281 63.388,1282 123.246,1283 148.955,1284 152.955,1285 152.955,1286 152.955,1287 36.167,1288 6.333,1289 45.65,1290 45.65,1291 12,1292 12.161,1293 3,1294 2.322,1295 33.589,1296 55,1297 54,1298 0.328,1299 134.491,1300 239.12,1301 319.917,1302 3647,1303 9.1,1304 13.991,1305 0.736,1306 0.593,1307 12.914,1308 11.262,1309 9.024,1310 0.451,1311 0.307,1312 5.639,1313 8.16,1314 5.474,1315 4.509,1316 8.457,1317 6.14,1318 8.25,1319 0.295,1320 0.161,1321 7.438,1322 4.519,1323 6.384,1324 0.177,1325 0.085,1326 6.287,1327 3.069,1328 5.461,1329 0.114,1330 0.046,1331 5.612,1332 2.222,1333 4.452,1334 0.074,1335 0.025,1336 4.361,1337 1.492,1338 0.495,1339 61.438,1340 0.282,1341 18.723,1342 0.956,1343 96,1344 436.472,1345 128.732,1346 387.948,1347 495.23,1348 362,1349 112,1350 311.887,1351 138.526,1352 313.975,1353 467.07,1354 294,1355 5.742} {0 CHEMBL25800,1 1.405,2 6.235,3 2.271,4 5.157,5 69.643,6 6.581,7 0.526,8 3.652,9 3.785,10 3.13,11 3.177,12 4.618,13 3.139,14 4.224,15 4.418,16 3.48,17 3.603,18 5.094,19 3.539,20 4.44,21 4.661,22 3.534,23 3.75,24 5.266,25 3.65,26 4.46,27 4.68,28 3.461,29 3.75,30 5.271,31 3.627,32 4.435,33 4.668,34 3.293,35 3.651,36 5.245,37 3.495,38 4.456,39 4.748,40 2.946,41 3.455,42 5.168,43 3.247,44 4.278,45 4.609,46 2.37,47 3.075,48 5.034,49 2.812,50 3.846,51 4.239,52 1.384,53 2.483,54 4.35,55 2.109,56 0.042,57 0.509,58 8.412,59 3.317,60 6.029,61 4.696,62 0.134,63 0.825,64 15.477,65 5.672,66 11.978,67 8.114,68 0.149,69 0.971,70 19.212,71 7.422,72 16.595,73 10.536,74 0.143,75 0.998,76 19.551,77 7.548,78 15.922,79 10.832,80 0.192,81 0.964,82 19.148,83 7.181,84 16.148,85 10.513,86 0.178,87 0.872,88 19.979,89 6.814,90 18.504,91 10.263,92 0.281,93 0.665,94 17.254,95 5.042,96 27.948,97 7.879,98 0.13,99 0.386,100 11.049,101 3.429,102 13.198,103 5.434,104 7,105 27,106 0.26,107 0.629,108 0.831,109 0.862,110 0.862,111 0.862,112 2.912,113 0.985,114 -2.95,115 -2.96,116 -2.85,119 40,121 3,124 1,125 2,140 2,141 3,142 1,149 1,150 1,161 1,162 1,163 1,169 6,172 6,176 1,178 6,180 1,182 6,186 1,189 7,191 1,193 2,197 1,199 6,201 1,202 1,203 2,205 1,206 1,208 1,211 3,213 1,220 2,224 2,228 1,229 1,231 2,235 2,259 288,260 11.784,261 11.784,262 11.784,263 11.784,264 11.784,265 10.589,266 14.094,267 7.019,268 12.03,269 9.358,270 9.358,271 9.358,272 9.358,273 9.358,274 7.425,275 14.87,276 3.228,277 9.751,278 3.725,279 1.739,280 0.65,281 0.479,282 0.479,283 0.479,284 3.589,288 1,289 1,290 228,291 2.236,294 24.663,295 57.216,298 42.862,299 48.635,302 0.865,303 9.337,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 36,315 106,316 4.742,317 3.441,318 6.999,319 4.289,320 3.31,321 4.724,322 0.86,323 11.946,324 3.243,325 3.971,326 2.928,327 6.039,328 3.587,329 2.639,330 3.461,332 8.588,333 2.5,334 3.503,335 2.353,336 5.456,337 3.122,338 2.15,339 2.869,341 6.677,342 2.086,343 2.999,344 2.085,345 4.82,346 2.633,347 1.686,348 2.167,350 5.011,351 1.593,352 2.78,353 1.718,354 4.291,355 2.527,356 1.554,357 1.847,359 3.81,360 1.501,361 2.43,362 1.449,363 3.619,364 2.22,365 1.26,366 1.424,368 2.907,369 1.205,370 2.105,371 1.259,372 3.443,373 1.971,374 1.023,375 1.084,377 2.018,378 0.964,379 1.923,380 0.885,381 3.109,382 1.649,383 0.701,384 0.831,386 1.483,387 0.659,388 0.959,389 -0.001,390 2.517,391 0.652,392 -0.306,393 -0.352,395 -0.576,396 -0.291,397 0.837,398 -0.194,399 2.43,400 0.525,401 -0.428,402 -0.511,404 -1.047,405 -0.407,406 0.659,407 -0.215,408 2.265,409 0.411,410 -0.536,411 -0.621,413 -1.274,414 -0.501,415 0.23,416 -0.704,417 2,418 0.043,419 -0.91,420 -1.018,422 -2.119,423 -0.861,424 0.086,425 -1.072,426 1.788,427 -0.22,428 -1.177,429 -1.394,431 -2.873,432 -1.128,433 -0.186,434 -1.171,435 1.557,436 -0.504,437 -1.439,438 -1.762,440 -4.103,441 -1.324,442 -0.339,443 -1.527,444 1.262,445 -0.744,446 -1.704,447 -2.123,449 -4.737,450 -1.625,451 8.133,452 0.478,453 0.363,454 0.021,455 19.5,456 1.147,457 8.5,458 0.5,459 11,460 0.647,461 13.677,462 0.805,463 18.867,464 0.539,465 11.411,466 0.671,467 3.672,468 0.216,469 4.637,470 0.273,471 0.111,473 0.357,479 0.997,480 1.288,481 0.911,482 1.114,483 1.159,484 1.012,485 1.282,486 0.946,487 0.934,488 0.883,489 0.952,490 0.867,491 1.05,492 0.971,493 0.916,494 0.961,495 0.893,496 0.934,497 0.98,498 1.156,499 1.075,500 1.149,501 0.798,502 1.131,503 0.68,504 1.281,505 1.207,506 1.367,507 0.867,508 1.346,509 1.011,510 1.146,511 1.09,512 1.14,513 0.864,514 1.129,515 1.404,516 0.806,517 1.145,518 0.85,519 1.629,520 0.952,521 0.824,522 0.573,523 0.751,524 0.603,525 1.121,526 0.659,527 2.5,529 2,530 1.667,531 1.072,532 0.539,533 0.182,534 0.099,535 0.02,537 2092,538 4328,539 2.127,540 51.4,541 2,542 9,543 1,545 2,547 4,550 1.578,551 2,552 2.668,553 0.353,555 1,556 1,557 1,559 49.163,560 1.405,561 3.39,562 4.479,563 4.651,564 4.651,565 4.651,566 2.095,567 3.69,568 4.058,569 2.711,570 368.76,571 6.906,572 3224.92,573 1,574 1,576 1,577 179.525,578 1.379,579 4.023,580 0.132,582 0.074,583 0.06,584 0.043,585 0.028,586 0.015,587 0.02,588 0.02,590 0.392,591 1,592 1,593 1.085,594 67.763,595 -0.032,596 -0.055,597 0.065,598 -0.003,599 -0.117,600 0.038,601 -0.122,602 0.169,603 0.06,604 0.153,605 -0.041,606 0.136,607 -0.058,608 0.055,609 0.053,610 0.079,611 -0.037,612 0.079,613 -0.087,614 -0.123,615 -0.118,616 -0.113,617 -0.064,618 -0.12,619 0.11,620 -0.241,621 -0.259,622 -0.363,623 -0.053,624 -0.355,625 -0.051,626 -0.245,627 -0.124,628 -0.207,629 0.046,630 -0.181,631 -0.077,632 0.042,633 -0.136,634 -0.008,635 -0.076,636 -0.07,637 0.016,638 0.145,639 0.213,640 0.228,641 0.002,642 0.24,643 0.802,644 2.233,645 0.765,646 9.1,647 0.989,648 1.129,649 1.722,650 2.966,651 0.644,652 2.996,653 3.332,654 3.689,655 4.043,656 4.29,657 4.357,658 4.443,659 4.466,660 4.419,661 4.174,662 3.83,663 0.599,664 230.34,665 2.996,666 4.533,667 5.416,668 6.326,669 7.236,670 8.157,671 9.075,672 9.998,673 10.918,674 11.842,675 5.7,676 1,683 1,687 2,688 3,693 3,694 1,695 10,712 1,714 35,716 10,717 1,718 19,720 37,721 14,722 8,723 4,724 2,730 3,731 6,736 1,740 2,743 3,745 8,746 6,761 1,764 18,765 2,766 2,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,812 1,819 1,823 1,827 17,828 1,833 5,835 1,847 2.9,852 1,854 8.5,855 6.45,856 3.806,857 2.219,858 2.149,859 1.325,860 1.016,861 2.747,862 8.766,863 3.219,864 3.876,865 4.581,866 5.27,867 5.807,868 6.166,869 6.534,870 6.832,871 6.843,872 6.719,873 1,874 28,875 6.295,877 2.652,878 7.461,879 12.526,881 10.615,883 1.961,884 33.333,885 0.005,888 188.338,889 67.03,890 34.796,892 11,895 67.03,896 199.338,897 34.796,898 8.396,899 47.199,900 28,902 27.087,903 13.915,904 176.567,906 188.338,907 101.826,908 11,911 141.253,912 58.084,915 49.098,916 52.728,919 188.338,920 45.796,921 67.03,924 188.338,925 30.633,926 38.295,928 43.897,929 188.338,930 45.796,931 67.03,933 0.572,934 0.355,935 0.219,936 0.127,937 15,938 6,939 0.054,940 2,941 2,942 1.308,943 2.887,944 127.341,945 0.308,946 13,947 69.487,951 10.964,952 4.26,953 1.71,954 2.66,955 43.897,956 6.453,961 3.79,962 2.19,963 32.897,964 301.163,965 24,975 34.6,976 39.528,977 0.274,978 0.661,979 0.873,980 0.907,981 0.907,982 0.907,983 4.46,984 0.701,985 5.407,986 2.018,987 4.007,988 4.559,989 0.908,990 6.29,991 3.935,992 5.679,993 -0.306,994 7.002,995 1.483,996 3.611,997 4.559,999 7.338,1000 3.514,1001 7.019,1002 -0.428,1003 8.706,1004 -0.576,1005 5.645,1006 6.908,1007 0.739,1008 10.519,1009 5.519,1010 8.406,1011 -0.536,1012 10.475,1013 -1.047,1014 6.133,1015 7.806,1017 12.445,1018 5.989,1019 9.835,1020 -0.91,1021 12.286,1022 -1.274,1023 7.63,1024 9.639,1025 0.593,1026 15.144,1027 7.462,1028 11.293,1029 -1.177,1030 14.127,1031 -2.119,1032 8.523,1033 10.921,1035 17.411,1036 8.34,1037 12.772,1038 -1.439,1039 15.988,1040 -2.873,1041 9.815,1042 12.57,1043 0.469,1044 19.959,1045 9.613,1046 3.31,1047 -1.704,1048 17.865,1049 -4.103,1050 10.883,1051 14.012,1053 22.357,1054 10.665,1055 2.639,1056 11.946,1057 19.754,1058 -4.737,1059 12.103,1060 15.596,1061 0.366,1062 24.857,1063 11.867,1064 2.15,1065 8.588,1066 21.654,1067 4.724,1068 13.244,1069 17.103,1071 27.305,1072 12.992,1073 1.686,1074 6.677,1075 23.56,1076 3.461,1077 14.442,1078 18.665,1079 0.283,1080 29.79,1081 14.172,1082 1.554,1083 5.011,1084 25.474,1085 2.869,1086 15.612,1087 20.198,1089 32.257,1090 15.325,1091 1.26,1092 3.81,1093 27.392,1094 2.167,1095 16.805,1096 21.753,1097 0.217,1098 34.738,1099 16.5,1100 1.023,1101 2.907,1102 29.315,1103 1.847,1104 17.989,1105 23.297,1107 37.213,1108 17.665,1109 2097,1110 3076,1111 12.83,1112 22.557,1113 28.698,1114 28.967,1115 30.08,1116 28.667,1117 28.649,1118 36.814,1119 1.72,1120 84.884,1121 27.503,1122 5.687,1123 5.441,1124 6.762,1125 5.372,1126 5.31,1127 7.724,1128 1.72,1129 19.358,1130 5.243,1131 6.743,1132 1.51,1133 1.525,1134 1.583,1135 1.509,1136 1.508,1137 1.938,1138 0.091,1139 4.468,1140 1.448,1141 4.166,1142 4.195,1143 4.13,1144 4.083,1145 5.024,1146 4.091,1147 3.696,1148 3.745,1149 3.59,1150 3.539,1151 4.929,1152 3.543,1153 3.503,1154 3.592,1155 3.337,1156 3.332,1157 4.57,1158 3.321,1159 3.297,1160 3.371,1161 3.138,1162 3.127,1163 4.027,1164 3.122,1165 3.067,1166 3.152,1167 2.892,1168 2.872,1169 3.857,1170 2.864,1171 2.866,1172 2.959,1173 2.637,1174 2.639,1175 3.667,1176 2.617,1177 2.677,1178 2.765,1179 2.504,1180 2.472,1181 3.314,1182 2.478,1183 2.544,1184 2.652,1185 2.248,1186 2.22,1187 3.277,1188 2.209,1189 0.25,1190 0.181,1191 0.368,1192 0.226,1193 0.174,1194 4.742,1195 0.249,1196 3.441,1197 0.045,1198 6.999,1199 0.629,1200 4.289,1201 0.171,1202 3.31,1203 4.724,1204 0.86,1205 11.946,1206 3.243,1207 1.99,1208 1.973,1209 2.083,1210 2.083,1211 1.362,1212 2.083,1213 1.681,1214 1.622,1215 1.877,1216 1.879,1217 1.125,1218 1.882,1219 1.562,1220 1.502,1221 1.803,1222 1.769,1223 1.009,1224 1.784,1225 1.328,1226 1.241,1227 1.616,1228 1.56,1229 0.739,1230 1.584,1231 1.078,1232 1.012,1233 1.361,1234 1.308,1235 0.495,1236 1.331,1237 0.864,1238 0.773,1239 1.244,1240 1.155,1241 0.393,1242 1.188,1243 0.709,1244 0.639,1245 1.026,1246 0.957,1247 0.119,1248 0.992,1249 0.506,1250 0.423,1251 0.901,1252 0.825,1253 0.016,1254 0.86,1255 3.664,1257 4.99,1258 2.398,1259 6.541,1260 4.844,1261 8.201,1262 7.034,1263 9.919,1265 2.096,1269 5.696,1271 4.715,1273 5.733,1280 20.972,1281 49.163,1282 118.664,1283 156.77,1284 162.77,1285 162.77,1286 162.77,1287 18.303,1288 6.617,1289 40.18,1290 40.18,1291 17,1292 12.348,1293 3.459,1294 2.585,1295 23.47,1296 38,1297 44,1298 0.321,1299 128.758,1300 212.11,1301 305.93,1302 5372,1304 11.828,1305 0.696,1306 0.6,1307 11.828,1308 10.2,1309 8.309,1310 0.437,1311 0.328,1312 6.158,1313 8.025,1314 5.993,1315 4.956,1316 8.309,1317 6.237,1318 7.289,1319 0.27,1320 0.174,1321 7.289,1322 4.692,1323 6.437,1324 0.165,1325 0.091,1326 6.437,1327 3.541,1328 5.872,1329 0.105,1330 0.05,1331 5.872,1332 2.796,1333 4.905,1334 0.068,1335 0.028,1336 4.905,1337 2.04,1338 0.464,1339 51.774,1340 0.279,1341 16.466,1342 1.015,1343 92,1344 214.693,1345 98.318,1346 207.868,1347 296.83,1348 198,1349 112,1350 227.694,1351 118.985,1352 231.395,1353 344.81,1354 219,1355 5.377} {0 CHEMBL258073,1 1.755,2 5.4,3 1.943,4 3.775,5 59.134,6 8.359,7 0.375,8 3.417,9 3.543,10 3.068,11 2.913,12 4.57,13 2.906,14 3.915,15 4.09,16 3.462,17 3.288,18 5.035,19 3.26,20 4.094,21 4.273,22 3.625,23 3.436,24 5.211,25 3.401,26 4.151,27 4.33,28 3.552,29 3.437,30 5.269,31 3.361,32 4.191,33 4.401,34 3.288,35 3.314,36 5.296,37 3.169,38 4.01,39 4.329,40 2.422,41 2.907,42 4.865,43 2.619,44 3.383,45 3.77,46 1.857,47 2.04,48 4.124,49 1.747,50 2.145,51 2.386,52 0.672,53 1.229,54 3.228,55 0.993,56 0.064,57 0.398,58 5.065,59 2.168,60 7.415,61 2.835,62 0.218,63 0.591,64 10.598,65 3.914,66 17.737,67 5.044,68 0.28,69 0.686,70 14.418,71 4.267,72 22.14,73 5.67,74 0.274,75 0.673,76 14.7,77 5.026,78 21.454,79 6.638,80 0.407,81 0.604,82 20.375,83 4.928,84 36.952,85 6.573,86 0.327,87 0.426,88 19.88,89 4.608,90 31.814,91 6.77,92 0.198,93 0.183,94 10.776,95 2.425,96 20.099,97 3.788,98 0.07,99 0.053,100 3.996,101 0.562,102 8.859,103 0.745,104 18,105 23,106 0.351,107 0.741,108 0.851,109 0.866,110 0.866,111 0.866,112 2.798,113 0.934,114 -3.08,115 -3.08,116 -2.96,119 37,120 1,124 1,127 1,140 2,141 1,142 3,157 1,161 1,162 1,163 1,169 1,172 3,173 1,174 2,175 1,176 2,177 1,178 3,182 3,189 3,192 1,193 3,195 1,197 4,199 1,201 3,203 1,208 3,211 2,213 1,217 1,218 1,231 1,235 1,259 191,260 9.87,261 9.87,262 9.87,263 9.87,264 9.87,265 8.83,266 14.066,267 5.618,268 10.31,269 7.799,270 7.799,271 7.799,272 7.799,273 7.799,274 6.182,275 19.374,276 2.535,277 8.478,278 3,279 1.052,280 0.5,281 0.426,282 0.426,283 0.426,284 3.436,285 1,288 1,289 1,290 165,291 2,295 62.392,299 53.803,302 0.88,303 14.076,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 32.833,315 81,316 4.547,317 3.551,318 6.866,319 4.178,320 3.22,321 4.223,322 1.24,323 11.398,324 3.083,325 3.852,326 3.052,327 5.752,328 3.408,329 2.515,330 3.206,331 0.86,332 7.64,333 2.214,334 3.356,335 2.567,336 5.086,337 2.985,338 2.033,339 2.558,340 0.568,341 5.853,342 1.937,343 3.24,344 2.213,345 4.98,346 2.878,347 1.962,348 2.423,349 0.119,350 5.683,351 1.758,352 2.683,353 2.074,354 4.247,355 2.351,356 1.445,357 1.7,359 3.665,360 1.284,361 1.785,362 1.022,363 3.135,364 1.46,365 0.606,366 0.691,368 1.109,369 0.497,370 1.298,371 0.672,372 2.858,373 1.005,374 0.12,375 0.136,377 0.263,378 0.096,379 0.888,380 0.099,381 2.604,382 0.507,383 -0.423,384 -0.46,386 -0.938,387 -0.364,388 0.738,389 -0.016,390 2.268,391 0.384,392 -0.476,393 -0.538,395 -1.133,396 -0.392,397 0.378,398 -0.451,399 2,400 0.147,401 -0.767,402 -0.943,404 -1.895,405 -0.684,406 0.019,407 -0.771,408 1.467,409 -0.467,410 -1.276,411 -1.549,413 -3.264,414 -1.008,415 -0.407,416 -1.153,417 1.4,418 -0.573,419 -1.51,420 -1.636,422 -4.057,423 -1.386,424 -0.446,425 -1.308,426 1.134,427 -0.811,428 -1.643,429 -2.021,430 -0.288,431 -4.939,432 -1.469,433 -0.5,434 -1.507,435 1,436 -0.882,437 -1.805,438 -2.203,439 -0.675,440 -5.338,441 -1.692,442 -0.575,443 -1.582,444 0.706,445 -1,446 -2,447 -2.587,448 -0.86,449 -6.87,450 -1.875,451 7.248,452 0.483,453 0.456,454 0.03,455 18.5,456 1.233,457 8.5,458 0.567,459 10,460 0.667,461 11.175,462 0.745,463 16.752,464 0.62,465 11.094,466 0.74,467 3.703,468 0.247,469 3.428,470 0.229,471 0.292,473 0.414,479 0.939,480 1.35,481 0.611,482 0.938,483 1.044,484 0.869,485 0.95,486 0.887,487 0.59,488 0.709,489 0.631,490 0.709,491 1.023,492 1.069,493 0.868,494 0.911,495 0.96,496 0.863,497 0.97,498 1.304,499 0.925,500 1.149,501 0.875,502 1.139,503 1.424,504 1.195,505 1.536,506 1.391,507 1.482,508 1.423,509 0.809,510 0.762,511 1.285,512 1.084,513 1.02,514 1.136,515 0.525,516 0.427,517 0.394,518 0.429,519 0.353,520 0.439,521 2.301,522 0.649,523 3.472,524 1.819,525 3.9,526 1.823,527 3.5,529 2,530 1.75,531 1.329,532 0.382,533 0.202,537 1302,538 4396,539 1.955,540 44.4,542 6,545 3,547 3,550 1.541,551 1.765,552 2.483,553 1.378,557 1,559 47.388,560 1.755,561 3.703,562 4.255,563 4.329,564 4.329,565 4.329,566 1.922,567 3.457,568 3.882,569 2.52,570 264.644,571 6.549,572 2148.14,574 1,576 1,577 128.382,578 1.566,579 3.796,580 0.219,582 0.087,583 0.07,584 0.06,585 0.029,586 0.05,590 0.516,591 0.83,592 1,593 1.029,594 56.41,595 -0.144,596 -0.087,597 -0.001,598 0.004,599 -0.237,600 0.037,601 0.027,602 0.222,603 0.141,604 0.238,605 0.16,606 0.222,607 -0.059,608 0.054,609 0.013,610 0.036,611 -0.085,612 0.054,613 0.028,614 -0.266,615 -0.054,616 -0.176,617 0.04,618 -0.195,619 -0.254,620 -0.252,621 -0.375,622 -0.412,623 -0.309,624 -0.49,625 0.004,626 -0.006,627 -0.136,628 -0.112,629 -0.069,630 -0.11,631 0.322,632 0.125,633 0.572,634 0.505,635 0.583,636 0.642,637 -0.876,638 0.174,639 -1.332,640 -0.75,641 -1.484,642 -0.885,643 1.286,644 1.919,645 0.667,646 6.516,647 1.014,648 1.138,649 1.852,650 3.43,651 0.672,652 2.833,653 3.178,654 3.466,655 3.761,656 3.932,657 3.871,658 3.807,659 3.611,660 3.526,661 2.833,662 3.453,663 0.639,664 225.7,665 2.833,666 4.369,667 5.231,668 6.133,669 7.015,670 7.92,671 8.807,672 9.711,673 10.601,674 11.504,675 11.1,676 1,677 1,684 1,688 2,693 4,695 6,712 1,713 1,714 27,716 7,717 1,718 16,720 28,721 10,722 6,723 4,724 2,725 1,730 2,731 3,732 1,734 1,736 1,740 1,743 1,745 7,746 3,750 1,758 1,759 1,761 1,764 12,765 4,766 3,767 5,768 1,773 3,777 0.5,778 1,793 2,797 1,812 1,814 1,819 1,823 2,824 1,827 15,828 1,834 1,835 1,837 1,846 1,847 3.7,852 1,854 8.5,855 5.343,856 3.361,857 1.455,858 1.638,859 1.278,860 0.958,861 2.755,862 7.527,863 3.045,864 3.651,865 4.216,866 4.791,867 5.29,868 5.466,869 5.658,870 5.7,871 5.791,872 5.206,873 0.75,874 25,875 5.48,876 -0.001,877 2.262,878 7.819,879 10.305,881 8.172,883 2.319,884 34.778,885 0.003,888 105.94,889 55.246,890 67.693,891 39.149,892 11,895 55.246,896 156.088,897 67.693,898 19.708,899 32.897,900 36.963,902 42.472,903 1.899,904 105.94,905 39.149,906 105.94,907 122.94,908 11,909 39.149,911 70.627,912 46.313,915 76.519,916 46.421,917 39.149,919 105.94,920 78.693,921 94.395,924 105.94,925 16.585,926 38.661,927 18.011,928 99.831,929 105.94,930 78.693,931 94.395,933 0.586,934 0.362,935 0.211,936 0.111,937 12,938 6,939 0.036,940 1,941 1,942 1.2,943 2.565,944 101.115,945 0.2,946 10,947 58.603,951 10.578,952 3.906,953 1.77,955 78.693,956 3.596,961 2.991,963 50.908,964 279.028,965 20,973 4.191,974 0.416,975 27.374,976 30.724,977 0.369,978 0.779,979 0.895,980 0.91,981 0.91,982 0.91,983 4.297,984 -0.423,985 5.252,986 0.263,987 3.85,988 4.331,989 1.762,990 6.12,991 3.698,992 5.526,993 -0.476,994 6.853,995 -0.938,996 3.611,997 4.29,998 0.623,999 7.159,1000 3.38,1001 6.859,1002 -0.767,1003 8.555,1004 -1.133,1005 5.493,1006 6.537,1007 1.731,1008 10.288,1009 5.236,1010 8.226,1011 -1.276,1012 10.313,1013 -1.895,1014 6.019,1015 7.261,1016 1.104,1017 12.148,1018 5.697,1019 9.623,1020 -1.51,1021 12.109,1022 -3.264,1023 7.44,1024 9.049,1025 1.854,1026 14.828,1027 7.101,1028 11.041,1029 -1.643,1030 13.931,1031 -4.057,1032 8.323,1033 10.137,1034 1.546,1035 17.035,1036 7.935,1037 12.478,1038 -1.805,1039 15.774,1040 -4.939,1041 9.574,1042 11.734,1043 2.08,1044 19.558,1045 9.164,1046 3.22,1047 -2,1048 17.633,1049 -5.338,1050 10.618,1051 13.002,1052 1.973,1053 21.904,1054 10.167,1055 2.515,1056 11.398,1057 19.504,1058 -6.87,1059 11.809,1060 14.515,1061 2.377,1062 24.371,1063 11.329,1064 2.033,1065 7.64,1066 21.387,1067 4.223,1068 12.923,1069 15.87,1070 2.397,1071 26.77,1072 12.404,1073 1.962,1074 5.853,1075 23.277,1076 3.206,1077 14.095,1078 17.344,1079 2.723,1080 29.216,1081 13.542,1082 1.445,1083 5.683,1084 25.175,1085 2.558,1086 15.239,1087 18.742,1088 2.821,1089 31.636,1090 14.647,1091 0.606,1092 3.665,1093 27.078,1094 2.423,1095 16.406,1096 20.198,1097 3.101,1098 34.074,1099 15.777,1100 0.12,1101 1.109,1102 28.986,1103 1.7,1104 17.563,1105 21.617,1106 3.246,1107 36.502,1108 16.893,1109 1407,1110 2650,1111 10.057,1112 18.137,1113 24.023,1114 24.648,1115 25.633,1116 23.843,1117 23.8,1118 29.872,1119 5.574,1120 71.221,1121 21.738,1122 5.403,1123 5.551,1124 6.37,1125 5.25,1126 5.22,1127 7.223,1128 2.205,1129 18.574,1130 5.083,1131 8.42,1132 1.501,1133 1.54,1134 1.602,1135 1.49,1136 1.488,1137 1.867,1138 0.348,1139 4.451,1140 1.359,1141 4.001,1142 4.03,1143 4.057,1144 3.913,1145 5.174,1146 3.918,1147 3.52,1148 3.58,1149 3.621,1150 3.337,1151 4.95,1152 3.344,1153 3.292,1154 3.371,1155 3.146,1156 3.053,1157 4.497,1158 3.071,1159 3.198,1160 3.287,1161 3.107,1162 2.915,1163 4.414,1164 2.919,1165 2.773,1166 2.837,1167 2.992,1168 2.635,1169 4.046,1170 2.621,1171 2.701,1172 2.796,1173 2.481,1174 2.535,1175 3.795,1176 2.513,1177 2.447,1178 2.575,1179 2.255,1180 2.042,1181 3.324,1182 2.051,1183 2.146,1184 2.269,1185 2.168,1186 1.777,1187 3.311,1188 1.783,1189 0.284,1190 0.222,1191 0.429,1192 0.261,1193 0.201,1194 4.547,1195 0.264,1196 3.551,1197 0.078,1198 6.866,1199 0.712,1200 4.178,1201 0.193,1202 3.22,1203 4.223,1204 1.24,1205 11.398,1206 3.083,1207 1.943,1208 1.921,1209 2.016,1210 2.063,1211 1.221,1212 2.052,1213 1.464,1214 1.402,1215 1.693,1216 1.681,1217 0.815,1218 1.683,1219 1.233,1220 1.161,1221 1.571,1222 1.527,1223 0.574,1224 1.543,1225 1.151,1226 1.057,1227 1.421,1228 1.469,1229 0.301,1230 1.481,1231 0.728,1232 0.671,1233 1.057,1234 1.01,1235 0.087,1236 1.037,1237 0.697,1238 0.625,1239 0.87,1240 0.901,1242 0.917,1243 0.377,1244 0.23,1245 0.733,1246 0.73,1248 0.741,1249 0.079,1251 0.501,1252 0.443,1254 0.473,1255 3.497,1257 4.828,1259 6.382,1261 8.047,1263 9.77,1265 3.578,1266 6.031,1269 5.635,1272 3.026,1273 5.267,1275 0.047,1280 17.241,1281 47.388,1282 99.976,1283 114.872,1284 116.872,1285 116.872,1286 116.872,1287 19.106,1288 5.889,1289 59.64,1290 59.64,1291 12,1292 12.026,1293 3,1294 2.322,1295 23.303,1296 31,1297 28,1298 0.409,1299 112.909,1300 192.38,1301 267.259,1302 1986,1303 3.7,1304 11,1305 0.733,1306 0.62,1307 11.5,1308 9.299,1309 7.13,1310 0.446,1311 0.311,1312 4.548,1313 6.523,1314 4.349,1315 3.635,1316 7.419,1317 4.981,1318 6.518,1319 0.283,1320 0.165,1321 6.889,1322 3.784,1323 5.37,1324 0.173,1325 0.086,1326 5.729,1327 2.665,1328 4.853,1329 0.116,1330 0.047,1331 5.166,1332 1.984,1333 3.634,1334 0.073,1335 0.025,1336 3.915,1337 1.26,1338 0.581,1339 48.177,1340 0.315,1341 14.505,1342 1.32,1343 78,1344 241.229,1345 101.699,1346 262.026,1347 349.55,1348 244,1349 93,1350 237.042,1351 113.344,1352 250.499,1353 367.32,1354 234,1355 5.937} {0 CHEMBL258075,1 1.491,2 5.813,3 2.283,4 5.211,5 65.276,6 6.646,7 0.353,8 3.581,9 3.725,10 3.043,11 3.048,12 4.636,13 3.021,14 4.109,15 4.309,16 3.411,17 3.405,18 5.138,19 3.359,20 4.336,21 4.553,22 3.433,23 3.523,24 5.315,25 3.464,26 4.316,27 4.546,28 3.361,29 3.525,30 5.243,31 3.431,32 4.334,33 4.575,34 3.201,35 3.471,36 5.32,37 3.339,38 4.322,39 4.62,40 2.749,41 3.314,42 5.087,43 3.111,44 4.057,45 4.378,46 2.364,47 3.029,48 4.785,49 2.772,50 3.829,51 4.201,52 1.297,53 2.542,54 4.543,55 2.189,56 0.039,57 0.484,58 7.857,59 2.802,60 8.902,61 4.168,62 0.154,63 0.725,64 13.884,65 4.835,66 20.106,67 6.993,68 0.304,69 0.836,70 18.064,71 5.093,72 27.664,73 7.858,74 0.137,75 0.837,76 17.168,77 5.572,78 19.729,79 8.582,80 0.269,81 0.811,82 17.745,83 5.444,84 31.544,85 8.547,86 0.239,87 0.702,88 17.767,89 5.334,90 27.155,91 8.444,92 0.097,93 0.535,94 13.27,95 4.362,96 18.79,97 7.032,98 0.162,99 0.362,100 10.99,101 2.677,102 22.778,103 4.826,104 19,105 24,106 0.284,107 0.632,108 0.746,109 0.821,110 0.821,111 0.821,112 2.855,113 0.966,114 -3.1,115 -3.09,116 -2.98,119 36.4,120 3,127 2,140 3,141 1,142 2,157 1,161 1,162 1,163 1,169 3,172 5,173 1,174 2,175 1,176 1,177 1,178 4,182 3,184 1,186 2,189 2,193 2,197 4,199 3,201 2,202 1,203 2,205 1,206 1,208 4,211 5,213 2,220 1,222 2,224 1,226 2,231 2,233 2,235 2,259 248,260 10.361,261 10.361,262 10.361,263 10.361,264 10.361,265 9.35,266 15.934,267 6.094,268 10.67,269 8.399,270 8.399,271 8.399,272 8.399,273 8.399,274 6.85,275 23.786,276 2.894,277 8.903,278 3.553,279 1.729,280 1.13,281 0.735,282 0.735,283 0.735,284 3.499,288 1,289 1,290 189,291 2.55,295 69.185,299 59.652,302 0.859,303 11.723,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 34.5,315 93,316 4.465,317 3.456,318 6.687,319 4.115,320 3.15,321 4.087,322 1.257,323 10.807,324 3.041,325 3.76,326 2.962,327 5.686,328 3.41,329 2.484,330 3.043,331 0.86,332 7.534,333 2.297,334 3.455,335 2.602,336 5.016,337 3.059,338 2.134,339 2.66,340 0.533,341 5.938,342 1.967,343 3.052,344 2.303,345 4.753,346 2.946,347 2,348 2.067,349 0.123,350 5.141,351 1.879,352 2.869,353 1.632,354 4.245,355 2.407,356 1.433,357 2.02,359 3.805,360 1.394,361 2.514,362 1.396,363 3.771,364 2.256,365 1.289,366 1.516,368 3.01,369 1.24,370 1.412,371 0.508,372 2.811,373 1.132,374 0.205,375 0.233,377 0.517,378 0.189,379 0.902,380 0.009,381 2.672,382 0.587,383 -0.351,384 -0.405,386 -0.89,387 -0.326,388 0.849,389 -0.08,390 2.395,391 0.481,392 -0.455,393 -0.53,395 -1.167,396 -0.425,397 0.374,398 -0.625,399 2.148,400 0.114,401 -0.842,402 -0.978,404 -2,405 -0.806,406 0.267,407 -0.721,408 1.667,410 -1,411 -1,413 -2.134,414 -0.938,416 -1,417 1.447,418 -0.052,419 -1,420 -1.189,422 -2.678,423 -1,424 -0.302,425 -1.141,426 1.132,427 -0.551,428 -1.506,429 -1.774,431 -4.114,432 -1.413,433 -0.5,434 -1.289,435 1.089,436 -0.726,437 -1.659,438 -2.041,439 -0.331,440 -4.95,441 -1.524,442 -0.52,443 -1.515,444 1,445 -1,446 -1.881,447 -2.205,448 -0.562,449 -5.359,450 -1.698,451 7.533,452 0.471,453 0.511,454 0.032,455 18.75,456 1.172,457 8.5,458 0.531,459 10.25,460 0.641,461 12.687,462 0.793,463 18.267,464 0.554,465 11.348,466 0.709,467 3.573,468 0.223,469 4.003,470 0.25,471 0.252,473 0.398,479 1.042,480 1.383,481 0.934,482 1.18,483 1.306,484 1.052,485 0.908,486 1.062,487 0.778,488 1.057,489 0.568,490 0.93,491 1.791,492 0.964,493 1.123,494 0.853,495 1.377,496 0.9,497 1.052,498 1.245,499 0.999,500 1.156,501 0.903,502 1.084,503 1.013,504 1.181,505 1.22,506 1.234,507 1.031,508 1.252,509 1.182,510 0.878,511 1.166,512 0.963,513 1.145,514 1.054,515 0.385,516 1.142,517 0.975,518 1.196,519 0.675,520 1.17,521 0.885,522 0.682,523 1.188,524 0.854,525 1.657,526 1.006,527 4,529 1.778,530 1.313,531 1.218,532 0.465,533 0.366,534 0.056,537 1635,538 3803,539 1.958,540 51.5,542 5,545 3,547 9,550 1.558,551 1.778,552 2.62,553 1.25,555 1,556 1,557 1,559 49.204,560 1.491,561 3.315,562 3.915,563 4.309,564 4.309,565 4.309,566 1.924,567 3.625,568 3.973,569 2.691,570 322.938,571 6.724,572 2770.35,574 1,576 1,577 166.465,578 1.561,579 3.895,580 0.235,582 0.074,583 0.055,584 0.055,585 0.027,586 0.037,587 0.009,590 0.493,591 0.83,592 1,593 1.25,594 62.763,595 -0.088,596 -0.08,597 0.032,598 -0.022,599 -0.284,600 0.022,601 0.206,602 0.061,603 0.209,604 0.011,605 0.338,606 0.091,607 -0.21,608 0.098,609 -0.083,610 0.123,611 -0.23,612 0.047,613 -0.072,614 -0.192,615 -0.033,616 -0.123,617 -0.002,618 -0.079,619 0.037,620 -0.139,621 -0.246,622 -0.247,623 0.025,624 -0.281,625 -0.2,626 0.007,627 -0.201,628 -0.034,629 -0.217,630 -0.109,631 0.062,632 -0.288,633 -0.072,634 -0.24,635 0.131,636 -0.186,637 -0.165,638 0.107,639 -0.234,640 -0.071,641 -0.402,642 -0.139,643 1.257,644 2.236,645 0.625,646 8.188,647 0.994,648 1.14,649 1.865,650 3.478,651 0.63,652 2.89,653 3.219,654 3.434,655 3.738,656 3.951,657 3.912,658 3.892,659 3.738,660 3.714,661 3.045,662 3.83,663 0.59,664 219.32,665 2.89,666 4.419,667 5.252,668 6.142,669 7.004,670 7.898,671 8.771,672 9.664,673 10.543,674 11.435,675 9.1,676 1,680 1,684 1,688 3,693 3,695 6,707 1,712 1,714 33,716 7,717 1,718 17,720 34,721 12,722 6,723 3,724 3,730 2,731 3,734 1,736 3,740 1,743 2,745 7,746 5,750 1,758 1,759 1,761 1,764 17,765 4,766 3,767 4,773 3,777 0.5,778 1,793 2,797 1,812 1,819 1,823 3,827 16,828 1,834 1,835 1,837 2,847 3,852 1,854 9,855 6.617,856 3.5,857 2.019,858 1.627,859 1.271,860 0.943,861 3.055,862 7.621,863 3.091,864 3.651,865 4.139,866 4.704,867 5.213,868 5.354,869 5.585,870 5.741,871 5.868,872 5.331,873 0.75,874 24,875 5.885,877 2.399,878 7.646,879 11.317,881 8.995,883 2.146,884 34.333,885 0.003,888 164.795,889 67.989,890 67.693,892 11,895 67.989,896 175.795,897 67.693,898 26.476,899 32.897,900 28.429,901 18.011,902 38.971,903 1.899,904 164.795,906 164.795,907 135.683,908 11,911 58.856,912 116.94,915 76.158,916 41.514,917 18.011,919 164.795,920 78.693,921 67.989,924 164.795,925 13.085,926 54.904,927 18.011,928 60.683,929 164.795,930 78.693,931 67.989,933 0.584,934 0.322,935 0.189,936 0.111,937 12,938 6,939 0.059,940 2,941 1,942 1.2,943 2.707,944 108.227,945 0.2,946 10,947 62,951 11.27,952 4.337,953 2.323,955 78.693,956 5.957,961 2.89,963 50.908,964 311.478,965 21,973 4.272,974 0.444,975 32.818,976 37.611,977 0.296,978 0.657,979 0.776,980 0.854,981 0.854,982 0.854,983 4.337,984 -0.351,985 5.263,986 0.517,987 3.892,988 4.331,989 1.762,990 6.084,991 3.784,992 5.542,993 -0.455,994 6.83,995 -0.89,996 3.611,997 4.182,998 0.623,999 7.018,1000 3.459,1001 6.847,1002 -0.842,1003 8.497,1004 -1.167,1005 5.485,1006 6.448,1007 1.769,1008 10.131,1009 5.28,1010 8.184,1011 -1,1012 10.223,1013 -2,1014 5.943,1015 7.06,1016 1.104,1017 11.892,1018 5.706,1019 9.552,1020 -1,1021 11.987,1022 -2.134,1023 7.372,1024 8.877,1025 1.936,1026 14.549,1027 7.095,1028 10.944,1029 -1.506,1030 13.778,1031 -2.678,1032 8.192,1033 9.876,1034 1.569,1035 16.671,1036 7.891,1037 12.354,1038 -1.659,1039 15.592,1040 -4.114,1041 9.442,1042 11.487,1043 2.198,1044 19.158,1045 9.107,1046 3.15,1047 -1.881,1048 17.422,1049 -4.95,1050 10.437,1051 12.686,1052 2.032,1053 21.431,1054 10.078,1055 2.484,1056 10.807,1057 19.265,1058 -5.359,1059 11.616,1060 14.196,1061 2.525,1062 23.853,1063 11.227,1064 2.134,1065 7.534,1066 21.119,1067 4.087,1068 12.693,1069 15.496,1070 2.494,1071 26.188,1072 12.276,1073 2,1074 5.938,1075 22.982,1076 3.043,1077 13.847,1078 16.956,1079 2.897,1080 28.585,1081 13.4,1082 1.433,1083 5.141,1084 24.851,1085 2.66,1086 14.961,1087 18.308,1088 2.956,1089 30.946,1090 14.484,1091 1.289,1092 3.805,1093 26.726,1094 2.067,1095 16.107,1096 19.743,1097 3.299,1098 33.333,1099 15.599,1100 0.205,1101 3.01,1102 28.606,1103 2.02,1104 17.239,1105 21.121,1106 3.417,1107 35.705,1108 16.698,1109 1745,1110 2742,1111 10.751,1112 20.801,1113 25.758,1114 25.684,1115 26.434,1116 25.388,1117 25.389,1118 31.25,1119 5.546,1120 73.5,1121 24.013,1122 5.296,1123 5.456,1124 6.206,1125 5.188,1126 5.15,1127 7.087,1128 2.276,1129 17.977,1130 5.041,1131 9.043,1132 1.515,1133 1.511,1134 1.555,1135 1.493,1136 1.493,1137 1.838,1138 0.326,1139 4.324,1140 1.413,1141 4.001,1142 4.035,1143 3.955,1144 3.903,1145 5.161,1146 3.911,1147 3.617,1148 3.678,1149 3.488,1150 3.432,1151 4.819,1152 3.429,1153 3.479,1154 3.549,1155 3.354,1156 3.311,1157 4.438,1158 3.313,1159 3.231,1160 3.333,1161 3.052,1162 2.985,1163 4.208,1164 2.997,1165 2.874,1166 3.009,1167 2.718,1168 2.661,1169 3.873,1170 2.665,1171 2.855,1172 2.933,1173 2.577,1174 2.618,1175 3.697,1176 2.57,1177 2.752,1178 2.838,1179 2.499,1180 2.573,1181 3.497,1182 2.565,1183 2.322,1184 2.451,1185 2.071,1186 1.944,1187 3.467,1188 1.945,1189 0.263,1190 0.203,1191 0.393,1192 0.242,1193 0.185,1194 4.465,1195 0.24,1196 3.456,1197 0.074,1198 6.687,1199 0.636,1200 4.115,1201 0.179,1202 3.15,1203 4.087,1204 1.257,1205 10.807,1206 3.041,1207 1.949,1208 1.923,1209 2.046,1210 2.075,1211 1.219,1212 2.066,1213 1.596,1214 1.534,1215 1.879,1216 1.815,1217 1.049,1218 1.836,1219 1.453,1220 1.386,1221 1.695,1222 1.652,1223 0.802,1224 1.664,1225 1.185,1226 1.088,1227 1.444,1228 1.493,1229 0.469,1230 1.504,1231 0.934,1232 0.804,1233 1.417,1234 1.239,1235 0.338,1236 1.308,1237 0.81,1238 0.754,1239 1.065,1240 1.089,1241 0.159,1242 1.09,1243 0.742,1244 0.66,1245 1.055,1246 0.999,1248 1.021,1249 0.265,1250 0.124,1251 0.72,1252 0.67,1254 0.689,1255 3.555,1257 4.875,1259 6.395,1261 8.023,1263 9.711,1265 6.026,1269 5.723,1272 3.067,1273 5.736,1275 0.218,1280 19.467,1281 49.204,1282 109.392,1283 129.181,1284 142.2,1285 142.2,1286 142.2,1287 20.074,1288 5.994,1289 59.64,1290 59.64,1291 12,1292 11.965,1293 3,1294 2.322,1295 25.71,1296 36,1297 34,1298 0.374,1299 123.761,1300 211.77,1301 293.738,1302 2356,1304 11.707,1305 0.732,1306 0.614,1307 11.707,1308 9.82,1309 7.575,1310 0.446,1311 0.322,1312 5.403,1313 7.27,1314 5.165,1315 4.352,1316 7.575,1317 5.475,1318 7.202,1319 0.3,1320 0.175,1321 7.202,1322 4.202,1323 5.222,1324 0.174,1325 0.082,1326 5.222,1327 2.457,1328 4.736,1329 0.116,1330 0.044,1331 4.736,1332 1.821,1333 3.772,1334 0.074,1335 0.023,1336 3.772,1337 1.172,1338 0.544,1339 47.374,1340 0.305,1341 15.659,1342 1.159,1343 82,1344 217.026,1345 91.508,1346 210.648,1347 295,1348 198,1349 95,1350 227.927,1351 103.539,1352 228.627,1353 334.4,1354 216,1355 7.155} {0 CHEMBL261917,1 1.571,2 11.7,3 3.96,4 15.685,5 122.442,6 7.321,7 0.515,8 4.145,9 4.265,10 3.842,11 3.727,12 5.126,13 3.666,14 4.717,15 4.898,16 4.157,17 4.141,18 5.868,19 4.068,20 5,21 5.201,22 4.236,23 4.348,24 6.016,25 4.231,26 5.138,27 5.385,28 4.164,29 4.351,30 6.134,31 4.204,32 5.057,33 5.299,34 4.064,35 4.257,36 6.052,37 4.111,38 4.916,39 5.164,40 4.081,41 4.139,42 5.83,43 3.993,44 4.793,45 4.995,46 4.066,47 4.034,48 6.008,49 3.917,50 4.819,51 5.039,52 3.8,53 3.905,54 6.006,55 3.799,56 0.097,57 0.888,58 15.79,59 5.723,60 16.312,61 7.45,62 0.363,63 1.448,64 26.232,65 9.547,66 57.53,67 12.856,68 0.266,69 1.848,70 36.094,71 13.34,72 42.45,73 17.601,74 0.349,75 1.941,76 44.565,77 15.913,78 67.268,79 21.004,80 0.369,81 1.758,82 38.992,83 14.37,84 63.791,85 19.119,86 0.273,87 1.603,88 35.686,89 11.984,90 43.127,91 16.302,92 0.469,93 1.475,94 37.567,95 11.294,96 64.212,97 13.483,98 0.618,99 1.328,100 35.669,101 9.936,102 99.345,103 11.845,104 27,105 49,106 0.255,107 0.557,108 0.695,109 0.774,110 0.774,111 0.774,112 3.441,113 1.064,114 -3.56,115 -3.53,116 -3.37,119 39.7,120 3,123 1,125 4,140 8,141 2,142 3,143 1,144 1,169 10,171 1,172 5,174 2,176 2,178 15,182 7,184 1,186 4,189 13,192 1,193 9,197 2,199 7,203 7,206 2,208 4,211 5,215 2,220 2,222 8,225 4,226 8,229 1,231 4,233 6,237 4,241 1,242 1,244 6,249 4,256 10,259 1452,260 19.651,261 19.651,262 19.651,263 19.651,264 19.651,265 17.468,266 24.016,267 11.312,268 20.068,269 16.305,270 16.305,271 16.305,272 16.305,273 16.305,274 12.893,275 28.018,276 5.356,277 16.991,278 4.287,279 2.427,280 1.574,281 1.091,282 1.091,283 1.091,284 4.132,288 1,289 1,290 758,291 4.062,295 354.368,299 139.367,302 1.787,303 30.072,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 351,316 4.859,317 4.686,318 7.31,319 4.351,320 3.408,321 4.711,322 0.8,323 12.513,324 3.316,325 4.552,326 3.534,327 7.108,328 4.27,329 3.292,330 4.472,331 0.4,332 11.65,333 3.107,334 4.418,335 3.271,336 6.701,337 4.102,338 3.134,339 3.752,341 10.884,342 3.016,343 3.805,344 2.748,345 5.789,346 3.501,347 2.555,348 3.177,350 7.921,351 2.414,352 3.566,353 2.37,354 5.327,355 3.178,356 2.215,357 2.921,359 6.683,360 2.13,361 3.422,362 1.99,363 4.858,364 2.957,365 1.964,366 2.74,368 5.489,369 1.946,370 3.059,371 1.952,372 4.68,373 2.761,374 1.803,375 2.178,377 4.809,378 1.725,379 2.9,380 1.527,381 4.502,382 2.403,383 1.433,384 2.068,386 4.154,387 1.388,388 2.765,389 1.465,390 4.039,391 2.328,392 1.336,393 1.838,395 3.46,396 1.323,397 2.5,398 1.376,399 3.549,400 2.208,401 1.27,402 1.5,404 2.83,405 1.188,406 2.469,407 1.146,408 3.414,409 2,410 1,411 1.463,413 2.275,414 1,415 2.121,416 1,417 3.338,418 1.967,419 1,420 1.023,422 2.136,423 0.965,424 2,425 0.835,426 3.247,427 1.728,428 0.767,429 1,431 1.885,432 0.735,433 1.37,434 0.374,435 3.228,436 1.001,437 0.044,438 0.055,440 0.122,441 0.042,442 1,443 0.065,444 2.824,445 0.54,446 -0.417,447 -0.508,449 -1.052,450 -0.397,451 14.6,452 0.487,453 1.02,454 0.034,455 39,456 1.3,457 20,458 0.667,459 19,460 0.633,461 27.19,462 0.906,463 32.8,464 0.566,465 30.563,466 1.019,467 7.107,468 0.237,469 7.131,470 0.238,471 0.148,472 0.091,473 0.233,479 0.591,480 1.384,481 0.868,482 1.229,483 0.691,484 1.007,485 0.733,486 1.049,487 0.842,488 0.883,489 0.501,490 0.864,491 0.974,492 1.122,493 1.064,494 1.097,495 0.8,496 1.095,497 0.936,498 0.989,499 1,500 1.038,501 0.935,502 0.981,503 1.047,504 0.973,505 0.894,506 0.964,507 1.258,508 1.003,509 0.908,510 1.066,511 0.875,512 0.976,513 0.933,514 0.938,515 1.208,516 1.253,517 1.665,518 1.495,519 1.154,520 1.097,521 2.72,522 0.794,523 1.513,524 0.921,525 3.096,526 0.9,527 8,528 0.153,529 4.444,530 2.438,531 1.64,532 1.083,533 0.91,534 0.514,535 0.419,536 0.201,537 11807,538 26955,539 2.051,540 48.3,541 9,542 16,544 1,545 2,550 1.728,551 1.895,552 3.496,553 0.21,555 1,559 91.115,560 1.571,561 3.431,562 4.284,563 4.767,564 4.767,565 4.767,566 2.949,567 4.19,568 4.878,569 3.69,570 1605.03,571 8.508,572 22128.3,574 1,577 339.763,578 1.665,579 4.813,580 0.242,581 0.006,582 0.091,583 0.049,584 0.036,585 0.026,586 0.024,587 0.013,588 0.014,589 0.007,590 0.508,591 0.33,592 1,593 0.758,594 154.081,595 0.114,596 -0.152,597 0.211,598 -0.061,599 -0.157,600 0.027,601 0.227,602 0.084,603 0.108,604 0.118,605 0.306,606 0.112,607 -0.079,608 -0.042,609 -0.081,610 -0.075,611 0.001,612 -0.106,613 -0.001,614 -0.024,615 0.021,616 -0.016,617 0.05,618 0.02,619 -0.009,620 -0.035,621 0.031,622 -0.001,623 -0.076,624 -0.014,625 0.017,626 -0.072,627 0.17,628 0.043,629 -0.053,630 0.053,631 0.205,632 -0.114,633 -0.161,634 -0.235,635 0.25,636 -0.115,637 -0.495,638 0.202,639 -0.273,640 0.099,641 -0.424,642 -0.003,643 4.593,644 5.94,645 0.733,646 28.88,647 0.996,648 1.126,649 2.33,650 5.43,651 0.668,652 3.526,653 3.912,654 4.143,655 4.382,656 4.625,657 4.727,658 4.927,659 4.905,660 5.024,661 5.043,662 6.939,663 0.621,664 424.62,665 3.526,666 5.106,667 5.958,668 6.862,669 7.732,670 8.636,671 9.515,672 10.418,673 11.301,674 12.203,675 6.9,677 1,680 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,714 58,716 19,717 2,718 33,720 61,721 23,722 15,723 5,724 7,730 4,731 5,736 3,737 1,745 15,746 8,750 2,753 1,755 2,761 1,764 28,765 6,766 2,767 7,768 1,773 4,777 0.75,778 2,786 1,793 4,797 1,814 1,819 3,821 1,823 3,827 30,830 1,833 4,834 2,838 1,839 1,847 3.4,850 2,854 15.833,855 11.15,856 6.292,857 3.45,858 3.334,859 1.427,860 0.99,861 5.648,862 11.147,863 3.795,864 4.454,865 4.999,866 5.583,867 6.162,868 6.498,869 6.956,870 7.185,871 7.568,872 7.728,873 0.875,874 50,875 11.38,877 5.116,878 7.706,879 21.643,881 18.393,883 2.206,884 66.167,887 1,888 306.049,889 140.53,890 54.326,892 44.313,894 5.807,895 134.723,896 350.362,897 54.326,898 26.476,899 8.423,900 99.628,901 89.275,902 27.139,904 294.278,906 306.049,907 189.048,908 44.313,909 5.807,911 306.049,912 44.313,915 64.101,916 91.757,917 38.998,919 306.049,920 98.639,921 140.53,923 5.807,924 306.049,925 23.39,926 114.457,927 34.416,928 61.098,929 306.049,930 98.639,931 140.53,933 0.601,934 0.338,935 0.172,936 0.093,937 25,938 11,939 0.082,940 5,941 1,942 1.091,943 4.038,944 273.28,945 0.091,946 22,947 129.697,950 1,951 20.953,952 8.087,953 4.578,954 1.797,955 98.639,956 16.385,957 4.446,961 2.965,963 34.416,964 545.217,965 43.5,968 -3.676,970 25.88,975 57.741,976 65.314,977 0.268,978 0.586,979 0.731,980 0.814,981 0.814,982 0.814,983 5.07,984 1.433,985 6.019,986 4.809,987 4.595,988 5.142,989 0.824,990 6.915,991 4.519,992 6.332,993 1.336,994 7.645,995 4.154,996 4.511,997 5.286,998 0.325,999 8.266,1000 4.387,1001 7.703,1002 1.27,1003 9.393,1004 3.46,1005 6.354,1006 7.494,1007 0.413,1008 11.267,1009 6.195,1010 9.116,1011 1,1012 11.212,1013 2.83,1014 7.048,1015 8.43,1016 0.268,1017 13.375,1018 6.841,1019 10.563,1020 1,1021 13.077,1022 2.275,1023 8.461,1024 10.204,1025 0.246,1026 16.006,1027 8.221,1028 12.036,1029 0.767,1030 14.971,1031 2.136,1032 9.461,1033 11.473,1034 0.188,1035 18.362,1036 9.177,1037 13.526,1038 0.044,1039 16.884,1040 1.885,1041 10.729,1042 13.093,1043 0.157,1044 20.892,1045 10.412,1046 3.408,1047 -0.417,1048 18.812,1049 0.122,1050 11.85,1051 14.507,1052 0.125,1053 23.333,1054 11.492,1055 3.292,1056 12.513,1057 20.749,1058 -1.052,1059 13.07,1060 16.068,1061 0.102,1062 25.835,1063 12.679,1064 3.134,1065 11.65,1066 22.694,1067 4.711,1068 14.238,1069 17.546,1070 0.082,1071 28.308,1072 13.81,1073 2.555,1074 10.884,1075 24.644,1076 4.472,1077 15.443,1078 19.087,1079 0.067,1080 30.804,1081 14.981,1082 2.215,1083 7.921,1084 26.598,1085 3.752,1086 16.631,1087 20.593,1088 0.054,1089 33.292,1090 16.134,1091 1.964,1092 6.683,1093 28.556,1094 3.177,1095 17.833,1096 22.127,1097 0.043,1098 35.789,1099 17.303,1100 1.803,1101 5.489,1102 30.517,1103 2.921,1104 19.03,1105 23.648,1106 0.035,1107 38.284,1108 18.467,1109 11295,1110 17301,1111 21.553,1112 38.716,1113 50.702,1114 51.431,1115 51.028,1116 50.444,1117 50.441,1118 65.796,1119 2.4,1120 153.618,1121 48.586,1122 5.859,1123 6.686,1124 7.112,1125 5.418,1126 5.408,1127 7.711,1128 1.2,1129 19.901,1130 5.316,1131 16.043,1132 1.536,1133 1.559,1134 1.546,1135 1.529,1136 1.529,1137 1.994,1138 0.073,1139 4.655,1140 1.472,1141 4.14,1142 4.152,1143 4.737,1144 4.103,1145 7.717,1146 4.054,1147 4.019,1148 4.028,1149 4.034,1150 3.968,1151 6.999,1152 3.947,1153 3.799,1154 3.849,1155 3.808,1156 3.714,1157 4.99,1158 3.654,1159 3.733,1160 3.766,1161 3.632,1162 3.559,1163 4.707,1164 3.559,1165 3.476,1166 3.531,1167 3.36,1168 3.352,1169 4.427,1170 3.342,1171 3.358,1172 3.377,1173 3.31,1174 3.257,1175 4.372,1176 3.217,1177 3.111,1178 3.206,1179 2.945,1180 2.941,1181 4.209,1182 2.91,1183 3.031,1184 3.109,1185 2.866,1186 2.86,1187 3.943,1188 2.866,1189 0.147,1190 0.142,1191 0.222,1192 0.132,1193 0.103,1194 4.859,1195 0.143,1196 4.686,1197 0.024,1198 7.31,1199 0.379,1200 4.351,1201 0.1,1202 3.408,1203 4.711,1204 0.8,1205 12.513,1206 3.316,1207 2.053,1208 2.038,1209 2.112,1210 2.149,1211 1.315,1212 2.151,1213 1.982,1214 1.971,1215 2.079,1216 2.053,1217 1.296,1218 2.08,1219 1.729,1220 1.69,1221 1.932,1222 1.942,1223 1.165,1224 1.949,1225 1.674,1226 1.63,1227 1.818,1228 1.816,1229 1.03,1230 1.86,1231 1.453,1232 1.407,1233 1.596,1234 1.616,1235 0.825,1236 1.632,1237 1.275,1238 1.275,1239 1.513,1240 1.429,1241 0.682,1242 1.466,1243 1.153,1244 1.064,1245 1.417,1246 1.376,1247 0.489,1248 1.429,1249 0.979,1250 0.921,1251 1.417,1252 1.239,1253 0.469,1254 1.308,1255 4.205,1257 5.572,1259 7.135,1261 8.779,1263 10.463,1265 6.315,1271 3.686,1272 6.086,1276 2.31,1277 -0.026,1280 36.024,1281 91.115,1282 198.992,1283 248.479,1284 276.479,1285 276.479,1286 276.479,1287 59.494,1288 7.814,1289 74.33,1290 82.71,1291 24,1292 12.727,1293 4.322,1294 3.524,1295 47.102,1296 125,1297 114,1298 0.184,1299 224.702,1300 383.29,1301 540.033,1302 27769,1304 21.355,1305 0.712,1306 0.615,1307 21.605,1308 18.46,1309 14.238,1310 0.431,1311 0.355,1312 10.237,1313 13.055,1314 9.73,1315 8.128,1316 15.059,1317 11.701,1318 14.203,1319 0.29,1320 0.211,1321 15.504,1322 10.361,1323 10.946,1324 0.177,1325 0.111,1326 12.051,1327 6.856,1328 9.056,1329 0.115,1330 0.06,1331 10.078,1332 4.774,1333 7.265,1334 0.072,1335 0.033,1336 8.085,1337 3.302,1338 0.29,1339 96.55,1340 0.215,1341 28.276,1342 0.502,1343 164,1344 420.287,1345 212.431,1346 435.26,1347 599.52,1348 402,1349 193,1350 422.512,1351 250.279,1352 470.006,1353 684.15,1354 439,1355 5.9} {0 CHEMBL263700,1 1.446,2 8.478,3 3.905,4 15.251,5 91.875,6 7.172,7 0.64,8 3.845,9 3.962,10 3.38,11 3.403,12 4.961,13 3.373,14 4.355,15 4.536,16 3.722,17 3.789,18 5.406,19 3.741,20 4.574,21 4.758,22 3.773,23 3.927,24 5.654,25 3.846,26 4.72,27 4.965,28 3.734,29 3.897,30 5.741,31 3.803,32 4.586,33 4.81,34 3.72,35 3.831,36 5.663,37 3.755,38 4.544,39 4.727,40 3.64,41 3.846,42 5.636,43 3.757,44 4.601,45 4.832,46 3.517,47 3.802,48 5.688,49 3.671,50 4.484,51 4.734,52 3.286,53 3.626,54 5.488,55 3.473,56 0.03,57 0.596,58 9.03,59 3.966,60 7.715,61 5.235,62 0.171,63 0.972,64 16.367,65 6.212,66 13.935,67 8.598,68 0.113,69 1.142,70 20.598,71 8.428,72 24.709,73 11.359,74 0.235,75 1.248,76 25.913,77 9.316,78 40.022,79 12.966,80 0.262,81 1.112,82 22.187,83 8.214,84 35.226,85 11.246,86 0.21,87 1.071,88 20.568,89 7.971,90 38.845,91 10.485,92 0.416,93 1.114,94 22.751,95 8.386,96 56.289,97 11.715,98 0.118,99 0.957,100 20.224,101 7.979,102 29.768,103 11.12,104 20,105 35,106 0.251,107 0.588,108 0.732,109 0.813,110 0.824,111 0.824,112 3.189,113 0.916,114 -4.1,115 -4.05,116 -3.83,119 44.2,121 1,124 2,125 1,140 8,141 3,142 1,149 1,150 1,156 1,169 10,171 1,172 6,176 2,178 10,182 8,186 2,189 7,193 8,197 1,199 5,202 1,203 6,206 1,208 1,211 10,215 1,222 12,225 1,226 2,229 2,231 1,233 9,237 2,242 2,244 3,249 2,254 2,259 719,260 15.345,261 15.345,262 15.345,263 15.345,264 15.345,265 13.39,266 14.885,267 9.12,268 15.572,269 12.343,270 12.343,271 12.343,272 12.343,273 12.343,274 9.335,275 16.269,276 4.367,277 12.699,278 3.98,279 2.041,280 1.215,281 0.75,282 0.686,283 0.686,284 3.867,287 1,288 1,289 1,290 410,291 3.317,294 47.686,295 126.96,298 89.372,302 1.369,303 19.441,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49,315 195,316 4.703,317 3.706,318 6.89,319 4.247,320 3.276,321 4.657,322 0.98,323 11.539,324 3.183,325 4.152,326 3.146,327 6.221,328 3.775,329 2.77,330 3.709,331 0.8,332 9.102,333 2.779,334 3.673,335 2.618,336 5.454,337 3.268,338 2.313,339 3.136,341 6.711,342 2.211,343 3.531,344 2.487,345 5.12,346 3.171,347 2.226,348 2.902,350 6.237,351 2.106,352 3.225,353 2.225,354 4.786,355 2.986,356 2.034,357 2.445,359 5.144,360 1.92,361 3.123,362 2.094,363 4.615,364 2.705,365 1.716,366 2.181,368 4.817,369 1.69,370 2.827,371 1.529,372 4.06,373 2.359,374 1.38,375 1.966,377 3.366,378 1.348,379 2.525,380 1.323,381 3.66,382 2.077,383 1.08,384 1.505,386 2.695,387 1.075,388 2.5,389 1.123,390 3.289,391 2,392 1,393 1.5,395 2.136,396 1,397 2.21,398 1,399 3.247,400 1.68,401 0.659,402 0.953,404 1.606,405 0.665,406 1.601,407 0.55,408 2.945,409 1.382,410 0.398,411 0.476,413 0.924,414 0.39,415 1.006,416 0.065,417 2.46,418 0.62,419 -0.311,420 -0.386,422 -0.756,423 -0.286,424 0.753,425 -0.291,426 2.359,427 0.281,428 -0.738,429 -0.961,431 -1.607,432 -0.74,433 0.692,434 -0.537,435 2.223,436 0.207,437 -0.801,438 -1,440 -2,441 -0.799,442 0.5,443 -0.6,444 1.95,445 0.078,446 -0.883,447 -1.056,449 -2.347,450 -0.852,451 10.967,452 0.477,453 0.613,454 0.027,455 30.5,456 1.326,457 16,458 0.696,459 14.5,460 0.63,461 16.606,462 0.722,463 24.433,464 0.568,465 22.603,466 0.983,467 6.261,468 0.272,469 4.798,470 0.209,471 0.152,473 0.347,479 0.816,480 1.316,481 0.828,482 1.061,483 0.725,484 0.964,485 0.821,486 0.913,487 0.855,488 0.818,489 0.54,490 0.816,491 0.919,492 1.229,493 1.018,494 1.188,495 0.859,496 1.127,497 1.081,498 0.949,499 0.873,500 0.892,501 1.097,502 0.856,503 1.007,504 0.874,505 0.856,506 0.879,507 1.1,508 0.85,509 1.399,510 1.145,511 1.211,512 1.129,513 1.538,514 1.149,515 0.828,516 0.955,517 1.121,518 1.034,519 0.836,520 1.101,521 0.77,522 1.15,523 1.02,524 1.229,525 0.76,526 1.172,527 4.5,528 0.05,529 2.667,530 1.889,531 1.414,532 0.931,533 0.587,534 0.338,535 0.205,536 0.096,537 5044,538 12552,539 2.041,540 46.5,542 16,543 1,545 1,547 2,550 1.664,551 1.89,552 3.095,553 -0.369,555 1,559 62.18,560 1.446,561 3.386,562 4.211,563 4.676,564 4.74,565 4.74,566 2.562,567 3.642,568 4.489,569 3.229,570 816.878,571 7.77,572 9137.98,574 1,576 1,577 233.329,578 1.478,579 4.443,580 0.18,581 0.008,582 0.076,583 0.054,584 0.043,585 0.028,586 0.02,587 0.014,588 0.011,589 0.01,590 0.443,591 0.5,592 1,593 1.226,594 105.884,595 -0.042,596 -0.176,597 0.04,598 -0.03,599 -0.083,600 0.004,601 0.002,602 0.224,603 0.067,604 0.156,605 0.049,606 0.133,607 -0.045,608 -0.198,609 -0.093,610 -0.183,611 0.003,612 -0.15,613 -0.037,614 0.024,615 0.125,616 0.07,617 0.006,618 0.114,619 0.068,620 0.128,621 0.13,622 0.091,623 0.026,624 0.115,625 -0.21,626 -0.135,627 -0.251,628 -0.139,629 -0.235,630 -0.194,631 0.166,632 0.038,633 -0.145,634 -0.067,635 0.108,636 -0.135,637 0.035,638 -0.231,639 -0.053,640 -0.237,641 0.082,642 -0.168,643 1.725,644 5.787,645 0.652,646 18.858,647 0.996,648 1.12,649 2.873,650 8.256,651 0.669,652 3.258,653 3.584,654 3.85,655 4.143,656 4.407,657 4.5,658 4.635,659 4.718,660 4.615,661 4.564,662 5.262,663 0.633,664 308.41,665 3.258,666 4.796,667 5.645,668 6.532,669 7.414,670 8.313,671 9.21,672 10.116,673 11.021,674 11.932,675 4.7,678 1,683 1,687 2,688 9,693 3,694 1,695 16,711 1,714 43,716 17,717 2,718 25,720 45,721 19,722 14,723 4,724 8,725 1,730 3,731 4,743 1,745 15,746 4,750 1,755 1,759 1,761 1,764 20,765 3,766 1,767 4,773 2,777 0.667,778 2,788 1,792 1,793 2,796 1,815 1,819 2,823 2,827 23,832 1,833 2,838 1,847 4.7,849 1,850 1,854 12.167,855 8.267,856 5.056,857 2.46,858 2.997,859 1.432,860 0.965,861 4.395,862 9.928,863 3.555,864 4.186,865 4.829,866 5.474,867 6.043,868 6.373,869 6.794,870 7.161,871 7.289,872 7.561,873 0.833,874 35,875 8.51,877 3.588,878 7.761,879 16.259,881 13.215,883 2.261,884 52,887 1,888 223.651,889 122.083,890 5.023,892 67.828,895 122.083,896 291.479,897 5.023,898 16.793,899 4.64,900 84.857,901 72.533,902 13.968,903 13.915,904 211.88,906 223.651,907 127.107,908 67.828,911 200.109,912 91.37,915 9.664,916 117.443,919 223.651,920 72.852,921 122.083,924 223.651,925 20.433,926 106.674,928 67.828,929 223.651,930 72.852,931 122.083,933 0.58,934 0.326,935 0.179,936 0.11,937 17,938 8,939 0.089,940 4,941 1,942 1.133,943 3.439,944 185.64,945 0.133,946 15,947 98.042,951 15.629,952 6.468,953 3.247,954 1.751,955 70.953,956 16.276,961 1.93,962 1.676,963 42.683,964 418.586,965 34,970 12.787,974 -0.058,975 42.811,976 48.152,977 0.266,978 0.624,979 0.776,980 0.862,981 0.874,982 0.874,983 4.779,984 1.08,985 5.638,986 3.366,987 4.263,988 4.871,989 1.356,990 6.466,991 4.212,992 6.001,993 1,994 7.207,995 2.695,996 3.892,997 4.732,998 0.325,999 7.42,1000 3.794,1001 7.317,1002 0.659,1003 8.88,1004 2.136,1005 5.861,1006 7.142,1007 1.195,1008 10.56,1009 5.763,1010 8.673,1011 0.398,1012 10.616,1013 1.606,1014 6.312,1015 7.878,1016 0.268,1017 12.388,1018 6.176,1019 10.067,1020 -0.311,1021 12.395,1022 0.924,1023 7.778,1024 9.763,1025 1.112,1026 15.064,1027 7.636,1028 11.488,1029 -0.738,1030 14.203,1031 -0.756,1032 8.616,1033 10.922,1034 0.188,1035 17.251,1036 8.442,1037 12.933,1038 -0.801,1039 16.034,1040 -1.607,1041 9.889,1042 12.593,1043 1.054,1044 19.771,1045 9.701,1046 3.276,1047 -0.883,1048 17.883,1049 -2,1050 10.911,1051 13.957,1052 0.125,1053 22.105,1054 10.692,1055 2.77,1056 11.539,1057 19.745,1058 -2.347,1059 12.112,1060 15.54,1061 1.007,1062 24.571,1063 11.873,1064 2.313,1065 9.102,1066 21.619,1067 4.657,1068 13.219,1069 16.998,1070 0.082,1071 26.966,1072 12.948,1073 2.226,1074 6.711,1075 23.501,1076 3.709,1077 14.399,1078 18.549,1079 0.969,1080 29.414,1081 14.101,1082 2.034,1083 6.237,1084 25.39,1085 3.136,1086 15.544,1087 20.049,1088 0.054,1089 31.836,1090 15.215,1091 1.716,1092 5.144,1093 27.285,1094 2.902,1095 16.719,1096 21.588,1097 0.935,1098 34.279,1099 16.361,1100 1.38,1101 4.817,1102 29.185,1103 2.445,1104 17.883,1105 23.108,1106 0.035,1107 36.712,1108 17.493,1109 5026,1110 8037,1111 16.414,1112 28.773,1113 38.221,1114 38.729,1115 38.973,1116 37.827,1117 37.702,1118 50.861,1119 3.56,1120 108.55,1121 36.73,1122 5.537,1123 5.706,1124 6.692,1125 5.255,1126 5.276,1127 7.657,1128 1.96,1129 19.065,1130 5.183,1131 11.935,1132 1.529,1133 1.549,1134 1.559,1135 1.513,1136 1.508,1137 2.034,1138 0.142,1139 4.342,1140 1.469,1141 4.159,1142 4.187,1143 4.129,1144 4.068,1145 7.428,1146 4.079,1147 3.881,1148 3.907,1149 3.817,1150 3.825,1151 6.471,1152 3.819,1153 3.657,1154 3.741,1155 3.517,1156 3.47,1157 4.845,1158 3.47,1159 3.464,1160 3.502,1161 3.39,1162 3.28,1163 4.712,1164 3.298,1165 3.239,1166 3.298,1167 3.122,1168 3.055,1169 4.319,1170 3.064,1171 2.965,1172 3.01,1173 2.837,1174 2.794,1175 4.078,1176 2.792,1177 2.874,1178 3.009,1179 2.687,1180 2.735,1181 3.729,1182 2.715,1183 2.867,1184 2.927,1185 2.682,1186 2.729,1187 3.674,1188 2.71,1189 0.188,1190 0.148,1191 0.276,1192 0.17,1193 0.131,1194 4.703,1195 0.186,1196 3.706,1197 0.039,1198 6.89,1199 0.462,1200 4.247,1201 0.127,1202 3.276,1203 4.657,1204 0.98,1205 11.539,1206 3.183,1207 1.952,1208 1.932,1209 2.038,1210 2.052,1211 1.247,1212 2.045,1213 1.892,1214 1.868,1215 2.005,1216 1.977,1217 1.11,1218 1.988,1219 1.684,1220 1.625,1221 1.891,1222 1.884,1223 1.04,1224 1.893,1225 1.468,1226 1.396,1227 1.685,1228 1.697,1229 0.794,1230 1.693,1231 1.21,1232 1.161,1233 1.433,1234 1.441,1235 0.55,1236 1.447,1237 0.939,1238 0.875,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.821,1245 1.19,1246 1.129,1247 0.295,1248 1.153,1249 0.886,1250 0.81,1251 1.181,1252 1.078,1253 0.218,1254 1.107,1255 3.932,1257 5.252,1258 2.398,1259 6.765,1260 4.844,1261 8.369,1262 7.05,1263 10.027,1265 4.039,1270 9.792,1271 1.705,1276 2.102,1280 27.214,1281 62.18,1282 145.581,1283 181.065,1284 201.065,1285 203.82,1286 203.82,1287 38.945,1288 6.931,1289 45.47,1290 45.47,1291 17,1292 12.448,1293 4.17,1294 3.322,1295 36.534,1296 71,1297 71,1298 0.258,1299 169.007,1300 285.94,1301 404.136,1302 8078,1304 16.397,1305 0.713,1306 0.581,1307 16.397,1308 13.36,1309 11.059,1310 0.442,1311 0.305,1312 7.542,1313 10.713,1314 7.276,1315 6.102,1316 11.059,1317 7.635,1318 10.134,1319 0.29,1320 0.17,1321 10.134,1322 5.95,1323 8.131,1324 0.177,1325 0.086,1326 8.131,1327 3.938,1328 6.715,1329 0.108,1330 0.044,1331 6.715,1332 2.717,1333 5.74,1334 0.071,1335 0.024,1336 5.74,1337 1.95,1338 0.39,1339 68.825,1340 0.247,1341 22.196,1342 0.757,1343 120,1344 325.175,1345 128.481,1346 320.354,1347 436.65,1348 298,1349 141,1350 319.948,1351 150.316,1352 330.293,1353 480.58,1354 308,1355 6.745} {0 CHEMBL263881,1 1.384,2 8.042,3 2.605,4 6.784,5 98.733,6 6.602,7 0.37,8 3.976,9 4.112,10 3.459,11 3.521,12 4.928,13 3.475,14 4.575,15 4.78,16 3.855,17 3.971,18 5.435,19 3.904,20 4.85,21 5.068,22 3.997,23 4.183,24 5.73,25 4.092,26 4.996,27 5.218,28 3.981,29 4.25,30 5.935,31 4.131,32 5.042,33 5.304,34 3.814,35 4.189,36 5.876,37 4.028,38 4.957,39 5.242,40 3.669,41 4.036,42 5.766,43 3.875,44 4.798,45 5.086,46 3.456,47 3.866,48 5.6,49 3.701,50 4.603,51 4.881,52 3.253,53 3.714,54 5.431,55 3.517,56 0.048,57 0.729,58 11.544,59 4.613,60 7.39,61 6.652,62 0.22,63 1.237,64 21.902,65 7.738,66 16.579,67 11.568,68 0.216,69 1.549,70 28.95,71 10.657,72 22.178,73 15.564,74 0.372,75 1.697,76 33.954,77 12.556,78 47.564,79 17.935,80 0.312,81 1.687,82 35.634,83 13.21,84 45.729,85 19.167,86 0.306,87 1.529,88 33.102,89 11.235,90 40.381,91 16.881,92 0.294,93 1.294,94 28.332,95 9.339,96 33.951,97 14.099,98 0.219,99 1.052,100 22.816,101 8.881,102 30.499,103 12.866,104 23,105 40,106 0.235,107 0.594,108 0.793,109 0.829,110 0.829,111 0.829,112 3.23,113 0.993,114 -3.56,115 -3.53,116 -3.37,119 40.8,120 2,121 1,122 1,124 1,125 3,127 1,134 1,135 1,140 3,141 3,149 1,150 1,156 1,169 9,171 1,172 7,176 3,178 11,182 5,186 3,189 11,192 2,193 6,197 2,199 12,203 3,206 1,208 1,211 6,215 9,220 1,222 3,226 4,233 2,237 2,240 2,244 6,256 4,259 702,260 16.464,261 16.464,262 16.464,263 16.464,264 16.464,265 15.064,266 19.259,267 9.291,268 16.777,269 13.17,270 13.17,271 13.17,272 13.17,273 13.17,274 10.875,275 23.031,276 4.188,277 13.567,278 4.23,279 2.119,280 0.95,281 0.74,282 0.74,283 0.74,284 3.926,287 1,288 1,289 1,290 424,291 3.464,294 37.062,295 121.858,298 127.11,299 135.824,300 78.08,302 1.215,303 16.422,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 50.5,315 193,316 4.718,317 3.864,318 7.023,319 4.341,320 3.353,321 4.634,322 2.015,323 12.054,324 3.314,325 4.224,326 3.508,327 6.484,328 3.971,329 2.991,330 3.548,331 0.916,332 10.046,333 2.93,334 3.945,335 3.028,336 6.283,337 3.692,338 2.731,339 3.171,340 0.625,341 9.257,342 2.625,343 3.549,344 2.464,345 5.637,346 3.255,347 2.278,348 2.825,349 0.172,350 7.297,351 2.226,352 3.333,353 2.392,354 5.209,355 3.025,356 2.062,357 2.581,358 0.111,359 6.202,360 1.978,361 3.042,362 2.161,363 5.08,364 2.866,365 1.898,366 2.077,368 5.732,369 1.831,370 2.872,371 2.029,372 4.631,373 2.44,374 1.475,375 1.907,377 4.393,378 1.42,379 2.661,380 1.643,381 3.861,382 2.234,383 1.238,384 1.723,386 2.926,387 1.232,388 2.34,389 1.28,390 3.844,391 1.986,392 0.972,393 1.231,395 2.432,396 0.975,397 2.226,398 0.9,399 3.452,400 1.767,401 0.799,402 1.07,404 1.916,405 0.77,406 1.618,407 0.744,408 3.07,409 1.591,410 0.618,411 0.618,413 0.791,414 0.6,415 1.52,416 0.37,417 2.779,418 1.162,419 0.177,420 0.222,422 0.464,423 0.173,424 0.945,425 0.061,426 2.618,427 0.645,428 -0.358,429 -0.381,431 -0.483,432 -0.352,433 0.786,434 -0.102,435 2.594,436 0.607,437 -0.381,438 -0.434,440 -1.038,441 -0.379,442 0.765,443 -0.188,444 2.384,445 0.466,446 -0.511,447 -0.59,449 -1.478,450 -0.497,451 11.533,452 0.481,453 0.623,454 0.026,455 26.75,456 1.115,457 11,458 0.458,459 15.75,460 0.656,461 23.665,462 0.986,463 26.267,464 0.536,465 18.81,466 0.784,467 5.053,468 0.211,469 6.581,470 0.274,471 0.159,473 0.416,479 0.782,480 1.421,481 0.889,482 1.146,483 0.584,484 1.042,485 0.959,486 0.99,487 0.893,488 0.844,489 0.572,490 0.844,491 1.084,492 1.052,493 0.967,494 0.988,495 0.91,496 0.963,497 1.334,498 1.076,499 1.132,500 1.101,501 1.636,502 1.107,503 1.088,504 1.08,505 1.048,506 1.096,507 1.343,508 1.082,509 1.188,510 1.003,511 1.008,512 0.965,513 1.18,514 0.967,515 1.341,516 0.874,517 1.085,518 0.91,519 1.164,520 0.955,521 0.603,522 1.058,523 1.003,524 1.174,525 0.823,526 1.143,527 4.5,528 0.065,529 3.333,530 2.222,531 1.683,532 0.893,533 0.666,534 0.352,535 0.238,536 0.132,537 5628,538 11344,539 2.11,540 51,542 14,543 1,545 1,546 1,547 8,550 1.675,551 1.946,552 3.03,553 -0.383,554 1,555 1,559 67.831,560 1.384,561 3.496,562 4.665,563 4.875,564 4.875,565 4.875,566 2.452,567 4.252,568 4.558,569 3.158,570 871.598,571 7.897,572 9690.01,574 1,576 1,577 275.121,578 1.483,579 4.504,580 0.167,581 0.011,582 0.083,583 0.049,584 0.04,585 0.026,586 0.023,587 0.015,588 0.013,589 0.011,590 0.439,591 0.67,592 1,593 1.303,594 110.615,595 0.014,596 -0.187,597 0.076,598 -0.041,599 -0.026,600 0.011,601 0.021,602 0.169,603 0.098,604 0.167,605 0.018,606 0.149,607 -0.069,608 0.034,609 0.018,610 0.03,611 0.005,612 0.036,613 -0.045,614 -0.048,615 -0.133,616 -0.09,617 -0.075,618 -0.12,619 -0.028,620 -0.129,621 -0.069,622 -0.106,623 -0.081,624 -0.098,625 -0.075,626 -0.053,627 -0.014,628 -0.021,629 -0.058,630 -0.012,631 -0.156,632 0.089,633 -0.083,634 0.017,635 -0.029,636 -0.014,637 0.198,638 -0.144,639 -0.048,640 -0.178,641 0.121,642 -0.146,643 1.412,644 5.867,645 0.667,646 16.667,647 0.987,648 1.128,649 2.33,650 5.43,651 0.65,652 3.332,653 3.714,654 4.094,655 4.431,656 4.718,657 4.92,658 5.17,659 5.357,660 5.468,661 5.521,662 5.039,663 0.604,664 323.48,665 3.332,666 4.905,667 5.808,668 6.73,669 7.651,670 8.581,671 9.51,672 10.443,673 11.376,674 12.312,675 6.1,678 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 49,716 12,717 1,718 27,720 52,721 20,722 8,723 3,724 3,725 2,730 4,731 12,736 2,740 2,741 1,743 2,745 11,746 9,747 1,750 2,755 1,757 1,759 2,760 1,761 1,764 25,765 3,766 1,767 4,773 3,777 0.25,778 1,788 1,792 1,793 3,796 2,797 2,798 1,806 1,810 1,811 1,815 1,819 1,823 3,827 24,833 4,837 2,838 2,847 2,850 1,854 12.333,855 9.65,856 5.306,857 3.346,858 2.556,859 1.327,860 0.998,861 3.917,862 10.367,863 3.555,864 4.163,865 4.819,866 5.449,867 5.981,868 6.4,869 6.887,870 7.326,871 7.571,872 7.892,873 1,874 45,875 8.949,877 3.876,878 7.507,879 17.727,881 15.368,883 2.007,884 48.167,885 0.001,887 1,888 282.506,889 100.829,890 23.034,892 25.145,895 100.829,896 307.651,897 23.034,898 26.047,899 11.976,900 46.952,901 29.85,902 32.04,903 13.915,904 270.735,906 282.506,907 123.863,908 25.145,911 188.338,912 119.314,915 49.536,916 64.851,917 9.476,919 282.506,920 48.179,921 100.829,924 282.506,925 27.83,926 79.248,927 16.786,928 25.145,929 282.506,930 48.179,931 100.829,933 0.589,934 0.377,935 0.212,936 0.11,937 22,938 10,939 0.058,940 3,941 4,942 1.438,943 3.444,944 215.125,945 0.5,946 15,947 106.039,951 15.768,952 5.961,953 2.411,954 2.533,955 31.394,956 8.59,958 3.394,961 2.687,963 16.786,964 431.515,965 34,970 12.867,972 2.246,974 1.58,975 48.352,976 55.272,977 0.247,978 0.623,979 0.831,980 0.868,981 0.868,982 0.868,983 4.84,984 1.238,985 5.826,986 4.393,987 4.394,988 4.848,989 2.314,990 6.732,991 4.345,992 6.054,993 0.972,994 7.446,995 2.926,996 4.111,997 4.758,998 1.738,999 7.803,1000 4.044,1001 7.386,1002 0.799,1003 9.165,1004 2.432,1005 6.08,1006 7.074,1007 3.192,1008 10.961,1009 5.99,1010 8.756,1011 0.618,1012 10.941,1013 1.916,1014 6.621,1015 7.868,1016 3.273,1017 12.84,1018 6.52,1019 10.161,1020 0.177,1021 12.753,1022 0.791,1023 8.073,1024 9.678,1025 4.394,1026 15.53,1027 7.955,1028 11.592,1029 -0.358,1030 14.589,1031 0.464,1032 8.976,1033 10.88,1034 4.768,1035 17.744,1036 8.848,1037 13.043,1038 -0.381,1039 16.442,1040 -0.483,1041 10.243,1042 12.507,1043 5.706,1044 20.281,1045 10.102,1046 3.353,1047 -0.511,1048 18.309,1049 -1.038,1050 11.305,1051 13.894,1052 6.226,1053 22.64,1054 11.155,1055 2.991,1056 12.054,1057 20.186,1058 -1.478,1059 12.509,1060 15.456,1061 7.061,1062 25.127,1063 12.349,1064 2.731,1065 10.046,1066 22.071,1067 4.634,1068 13.64,1069 16.925,1070 7.661,1071 27.551,1072 13.471,1073 2.278,1074 9.257,1075 23.964,1076 3.548,1077 14.827,1078 18.465,1079 8.437,1080 30.026,1081 14.648,1082 2.062,1083 7.297,1084 25.863,1085 3.171,1086 15.989,1087 19.969,1088 9.08,1089 32.478,1090 15.802,1091 1.898,1092 6.202,1093 27.767,1094 2.825,1095 17.175,1096 21.502,1097 9.824,1098 34.953,1099 16.977,1100 1.475,1101 5.732,1102 29.676,1103 2.581,1104 18.353,1105 23.022,1106 10.492,1107 37.421,1108 18.146,1109 5447,1110 7810,1111 17.918,1112 31.847,1113 41.874,1114 42.083,1115 43.963,1116 41.196,1117 41.183,1118 51.213,1119 7.679,1120 127.018,1121 40.148,1122 5.677,1123 5.864,1124 6.641,1125 5.385,1126 5.353,1127 7.634,1128 3.529,1129 19.711,1130 5.314,1131 12.064,1132 1.551,1133 1.559,1134 1.628,1135 1.526,1136 1.525,1137 1.897,1138 0.284,1139 4.704,1140 1.487,1141 4.185,1142 4.215,1143 4.145,1144 4.114,1145 7.427,1146 4.118,1147 3.858,1148 3.908,1149 3.784,1150 3.709,1151 4.974,1152 3.72,1153 3.658,1154 3.734,1155 3.536,1156 3.464,1157 4.438,1158 3.468,1159 3.444,1160 3.496,1161 3.342,1162 3.343,1163 4.277,1164 3.336,1165 3.306,1166 3.407,1167 3.136,1168 3.123,1169 4.222,1170 3.102,1171 3.272,1172 3.334,1173 3.056,1174 3.102,1175 3.925,1176 3.089,1177 3.221,1178 3.303,1179 3.04,1180 3.022,1181 3.892,1182 3.019,1183 2.868,1184 2.936,1185 2.713,1186 2.656,1187 3.713,1188 2.65,1189 0.175,1190 0.143,1191 0.26,1192 0.161,1193 0.124,1194 4.718,1195 0.172,1196 3.864,1197 0.075,1198 7.023,1199 0.446,1200 4.341,1201 0.123,1202 3.353,1203 4.634,1204 2.015,1205 12.054,1206 3.314,1207 2.043,1208 2.022,1209 2.13,1210 2.124,1211 1.434,1212 2.127,1213 1.779,1214 1.735,1215 1.939,1216 1.948,1217 1.158,1218 1.947,1219 1.651,1220 1.586,1221 1.876,1222 1.868,1223 1.069,1224 1.873,1225 1.514,1226 1.453,1227 1.725,1228 1.7,1229 0.94,1230 1.709,1231 1.351,1232 1.256,1233 1.714,1234 1.584,1235 0.869,1236 1.638,1237 1.253,1238 1.17,1239 1.565,1240 1.499,1241 0.657,1242 1.523,1243 1.1,1244 1.02,1245 1.37,1246 1.338,1247 0.475,1248 1.362,1249 1.023,1250 0.989,1251 1.227,1252 1.185,1253 0.419,1254 1.192,1255 4.007,1257 5.371,1258 2.398,1259 6.952,1260 4.727,1261 8.636,1262 6.862,1263 10.377,1265 6.257,1271 3.379,1275 0.33,1276 4.303,1280 29.574,1281 67.831,1282 171.291,1283 228.591,1284 238.856,1285 238.856,1286 238.856,1287 35.859,1288 7.812,1289 39.34,1290 39.34,1291 23,1292 12.811,1293 3.7,1294 3,1295 33.657,1296 73,1297 72,1298 0.236,1299 179.858,1300 309.27,1301 430.615,1302 24096,1304 16.845,1305 0.702,1306 0.611,1307 16.845,1308 14.673,1309 11.635,1310 0.431,1311 0.331,1312 8.842,1313 11.285,1314 8.544,1315 7.081,1316 11.635,1317 8.937,1318 10.477,1319 0.262,1320 0.174,1321 10.477,1322 6.941,1323 9.795,1324 0.166,1325 0.096,1326 9.795,1327 5.661,1328 8.607,1329 0.104,1330 0.053,1331 8.607,1332 4.375,1333 6.934,1334 0.062,1335 0.028,1336 6.934,1337 3.129,1338 0.354,1339 72.073,1340 0.236,1341 22.613,1342 0.702,1343 134,1344 301.359,1345 142.431,1346 296.428,1347 419.55,1348 280,1349 166,1350 319.538,1351 175.653,1352 326.357,1353 487.88,1354 309,1355 8.409} {0 CHEMBL26427,1 1.355,2 7.053,3 3.239,4 10.489,5 79.712,6 6.302,7 0.476,8 3.792,9 3.927,10 3.239,11 3.297,12 4.703,13 3.249,14 4.387,15 4.607,16 3.582,17 3.716,18 5.194,19 3.649,20 4.568,21 4.777,22 3.622,23 3.897,24 5.367,25 3.782,26 4.711,27 4.972,28 3.545,29 3.913,30 5.414,31 3.759,32 4.614,33 4.871,34 3.44,35 3.807,36 5.329,37 3.646,38 4.584,39 4.852,40 3.258,41 3.687,42 5.278,43 3.506,44 4.562,45 4.877,46 2.979,47 3.51,48 5.192,49 3.308,50 4.255,51 4.543,52 2.568,53 3.295,54 4.924,55 3.039,56 0.044,57 0.589,58 10.141,59 3.923,60 6.948,61 5.7,62 0.191,63 0.961,64 18.787,65 6.252,66 13.773,67 9.398,68 0.154,69 1.122,70 22.058,71 8.717,72 16.967,73 12.442,74 0.184,75 1.212,76 25.231,77 9.645,78 18.977,79 14.115,80 0.226,81 1.119,82 23.011,83 8.64,84 17.114,85 12.76,86 0.17,87 1.038,88 22.328,89 7.988,90 17.985,91 11.959,92 0.329,93 0.941,94 22.219,95 6.705,96 19.837,97 10.542,98 0.099,99 0.706,100 15.743,101 6.031,102 14.411,103 8.913,104 13,105 30,106 0.243,107 0.539,108 0.756,109 0.818,110 0.818,111 0.818,112 3.012,113 1.006,114 -3.46,115 -3.44,116 -3.28,119 39,121 3,124 3,125 2,140 2,141 3,142 1,149 1,150 1,169 6,172 7,178 6,182 7,189 7,193 3,199 6,202 2,203 3,211 3,215 2,225 1,226 2,259 422,260 12.776,261 12.776,262 12.776,263 12.776,264 12.776,265 11.581,266 17.448,267 7.523,268 13.118,269 10.376,270 10.376,271 10.376,272 10.376,273 10.376,274 8.443,275 19.696,276 3.576,277 10.906,278 4.003,279 2.347,280 1.135,281 0.787,282 0.787,283 0.787,284 3.69,287 1,288 1,289 1,290 286,291 2.828,294 29.57,295 68.823,298 51.511,299 58.442,302 1.014,303 7.574,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 40,315 134,316 4.742,317 3.442,318 6.999,319 4.29,320 3.311,321 4.724,322 0.86,323 11.947,324 3.243,325 3.972,326 2.933,327 6.039,328 3.589,329 2.641,330 3.462,331 0.8,332 8.589,333 2.503,334 3.52,335 2.596,336 5.462,337 3.219,338 2.279,339 2.874,341 6.714,342 2.149,343 3.186,344 2.286,345 4.849,346 2.979,347 2.038,348 2.239,350 5.251,351 1.907,352 2.971,353 2.048,354 4.595,355 2.588,356 1.647,357 2.108,359 4.813,360 1.546,361 2.755,362 1.716,363 4.288,364 2.522,365 1.545,366 1.812,368 3.797,369 1.5,370 2.417,371 1.448,372 3.617,373 2.196,374 1.241,375 1.409,377 2.9,378 1.179,379 1.95,380 1.013,381 3.4,382 1.728,383 0.785,384 0.884,386 1.879,387 0.734,388 1.614,389 0.578,390 2.991,391 1.439,392 0.468,393 0.525,395 1.069,396 0.453,397 0.924,398 -0.17,399 2.483,400 0.576,401 -0.388,402 -0.474,404 -1.015,405 -0.372,406 0.792,407 -0.195,408 2.428,409 0.453,410 -0.495,411 -0.593,413 -1.244,414 -0.464,415 0.456,416 -0.355,417 2.254,418 0.236,419 -0.707,420 -0.779,422 -1.812,423 -0.663,424 0.186,425 -0.6,426 2,427 -0.004,428 -0.963,429 -1,431 -2,432 -0.9,434 -0.746,435 1.833,436 -0.1,437 -1,438 -1.083,440 -2.476,441 -0.918,442 -0.081,443 -1.132,444 1.613,445 -0.368,446 -1.311,447 -1.566,449 -3.569,450 -1.234,451 9.133,452 0.481,453 0.507,454 0.027,455 21,456 1.105,457 8.5,458 0.447,459 12.5,460 0.658,461 16.6,462 0.874,463 21.467,464 0.524,465 13.055,466 0.687,467 4.035,468 0.212,469 5.13,470 0.27,471 0.164,473 0.361,479 0.922,480 1.557,481 0.936,482 1.281,483 0.938,484 1.134,485 1.547,486 0.801,487 0.953,488 0.722,489 1.002,490 0.754,491 1.086,492 1.145,493 1.077,494 1.153,495 1.141,496 1.125,497 0.868,498 1.039,499 0.962,500 1.03,501 0.958,502 1.012,503 0.641,504 1.124,505 1.051,506 1.173,507 0.816,508 1.153,509 0.999,510 1.292,511 1.109,512 1.229,513 1.069,514 1.192,515 1.473,516 0.72,517 1.107,518 0.751,519 1.164,520 0.863,521 0.657,522 1.268,523 1.215,524 1.388,525 0.981,526 1.361,527 3.5,529 2.222,530 1.667,531 1.152,532 0.539,533 0.456,534 0.2,535 0.094,536 0.031,537 2918,538 5498,539 2.081,540 53.7,541 2,542 15,543 1,547 4,550 1.609,551 1.932,552 2.829,553 -0.828,555 1,557 1,559 55.552,560 1.355,561 3.011,562 4.223,563 4.571,564 4.571,565 4.571,566 2.249,567 4.143,568 4.216,569 2.951,570 504.561,571 7.215,572 4812.12,573 1,574 1,576 1,577 219.66,578 1.462,579 4.171,580 0.167,582 0.074,583 0.056,584 0.043,585 0.023,586 0.025,587 0.015,588 0.013,589 0.016,590 0.432,591 1,592 1,593 1.315,594 80.357,595 0.066,596 -0.3,597 0.094,598 -0.127,599 0.033,600 -0.033,601 -0.175,602 0.349,603 0.099,604 0.278,605 0.058,606 0.233,607 -0.08,608 -0.066,609 -0.085,610 -0.075,611 -0.096,612 -0.08,613 -0.026,614 -0.05,615 0.001,616 -0.014,617 -0.046,618 -0.006,619 0.145,620 -0.098,621 -0.086,622 -0.166,623 0.007,624 -0.152,625 -0.034,626 -0.321,627 -0.137,628 -0.25,629 -0.082,630 -0.214,631 -0.13,632 0.214,633 -0.101,634 0.109,635 -0.066,636 0.024,637 -0.013,638 -0.344,639 -0.288,640 -0.408,641 -0.091,642 -0.378,643 0.641,644 2.302,645 0.684,646 12.349,647 0.985,648 1.131,649 2.228,650 4.963,651 0.636,652 3.091,653 3.434,654 3.738,655 4.078,656 4.344,657 4.431,658 4.575,659 4.635,660 4.554,661 4.394,662 4.402,663 0.586,664 258.4,665 3.091,666 4.635,667 5.501,668 6.405,669 7.303,670 8.218,671 9.129,672 10.048,673 10.965,674 11.887,675 4.9,678 1,683 1,687 2,688 3,693 3,694 1,695 10,712 1,714 41,716 10,717 1,718 21,720 43,721 16,722 8,723 4,724 2,730 3,731 6,740 2,743 3,745 8,746 8,760 1,761 1,764 22,765 2,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,827 19,833 5,835 1,838 1,847 2.4,852 1,854 9.833,855 8.317,856 4.139,857 2.553,858 2.149,859 1.315,860 0.983,861 3.439,862 8.963,863 3.296,864 3.937,865 4.601,866 5.28,867 5.825,868 6.194,869 6.585,870 6.903,871 6.917,872 6.867,873 0.8,874 30,875 7.046,877 2.909,878 7.36,879 14.147,881 11.784,883 1.86,884 35.333,885 0.003,888 258.964,889 83.822,890 5.023,892 11,895 83.822,896 269.964,897 5.023,898 25.189,899 14.302,900 28,902 30.211,903 13.915,904 247.193,906 258.964,907 88.846,908 11,911 211.88,912 58.084,915 19.325,916 69.521,919 258.964,920 16.023,921 83.822,924 258.964,925 30.633,926 58.212,928 11,929 258.964,930 16.023,931 83.822,933 0.583,934 0.334,935 0.192,936 0.116,937 16,938 7,939 0.07,940 3,941 2,942 1.308,943 3.076,944 145.998,945 0.308,946 13,947 78.711,951 12.857,952 5.082,953 2.338,954 2.763,955 14.124,956 6.605,961 3.961,962 2.245,964 358.81,965 26,975 40.367,976 46.358,977 0.253,978 0.562,979 0.788,980 0.853,981 0.853,982 0.853,983 4.549,984 0.785,985 5.501,986 2.9,987 4.111,988 4.62,989 1.235,990 6.361,991 4.025,992 5.764,993 0.468,994 7.086,995 1.879,996 3.761,997 4.62,998 0.325,999 7.383,1000 3.636,1001 7.095,1002 -0.388,1003 8.777,1004 1.069,1005 5.733,1006 6.933,1007 0.938,1008 10.544,1009 5.587,1010 8.47,1011 -0.495,1012 10.532,1013 -1.015,1014 6.217,1015 7.823,1016 0.268,1017 12.455,1018 6.048,1019 9.886,1020 -0.707,1021 12.33,1022 -1.244,1023 7.689,1024 9.647,1025 0.732,1026 15.151,1027 7.503,1028 11.332,1029 -0.963,1030 14.16,1031 -1.812,1032 8.566,1033 10.925,1034 0.188,1035 17.414,1036 8.367,1037 12.801,1038 -1,1039 16.012,1040 -2,1041 9.85,1042 12.572,1043 0.57,1044 19.961,1045 9.634,1046 3.311,1047 -1.311,1048 17.883,1049 -2.476,1050 10.906,1051 14.013,1052 0.125,1053 22.358,1054 10.678,1055 2.641,1056 11.947,1057 19.767,1058 -3.569,1059 12.122,1060 15.596,1061 0.438,1062 24.858,1063 11.878,1064 2.279,1065 8.589,1066 21.663,1067 4.724,1068 13.256,1069 17.103,1070 0.082,1071 27.305,1072 12.999,1073 2.038,1074 6.714,1075 23.567,1076 3.462,1077 14.452,1078 18.665,1079 0.334,1080 29.79,1081 14.178,1082 1.647,1083 5.251,1084 25.478,1085 2.874,1086 15.62,1087 20.198,1088 0.054,1089 32.258,1090 15.329,1091 1.545,1092 4.813,1093 27.396,1094 2.239,1095 16.812,1096 21.753,1097 0.252,1098 34.739,1099 16.504,1100 1.241,1101 3.797,1102 29.318,1103 2.108,1104 17.994,1105 23.297,1106 0.035,1107 37.213,1108 17.669,1109 2925,1110 4096,1111 13.929,1112 26.08,1113 31.967,1114 32.108,1115 33.054,1116 31.956,1117 31.908,1118 40.076,1119 3.32,1120 93.919,1121 30.428,1122 5.687,1123 5.442,1124 6.682,1125 5.372,1126 5.311,1127 7.724,1128 1.72,1129 19.358,1130 5.243,1131 9.069,1132 1.522,1133 1.529,1134 1.574,1135 1.522,1136 1.519,1137 1.908,1138 0.158,1139 4.472,1140 1.449,1141 4.167,1142 4.196,1143 4.131,1144 4.084,1145 4.951,1146 4.092,1147 3.709,1148 3.767,1149 3.598,1150 3.549,1151 4.576,1152 3.552,1153 3.624,1154 3.705,1155 3.478,1156 3.41,1157 4.314,1158 3.413,1159 3.325,1160 3.388,1161 3.181,1162 3.197,1163 4.024,1164 3.187,1165 3.217,1166 3.313,1167 3.015,1168 3.009,1169 3.862,1170 2.997,1171 2.968,1172 3.042,1173 2.773,1174 2.78,1175 3.685,1176 2.764,1177 2.874,1178 3.009,1179 2.518,1180 2.618,1181 3.467,1182 2.57,1183 2.798,1184 2.902,1185 2.499,1186 2.6,1187 3.381,1188 2.566,1189 0.226,1190 0.164,1191 0.333,1192 0.204,1193 0.158,1194 4.742,1195 0.225,1196 3.442,1197 0.041,1198 6.999,1199 0.569,1200 4.29,1201 0.154,1202 3.311,1203 4.724,1204 0.86,1205 11.947,1206 3.243,1207 1.991,1208 1.973,1209 2.084,1210 2.084,1211 1.365,1212 2.084,1213 1.706,1214 1.644,1215 1.918,1216 1.915,1217 1.175,1218 1.921,1219 1.58,1220 1.514,1221 1.811,1222 1.811,1223 1.016,1224 1.815,1225 1.45,1226 1.373,1227 1.71,1228 1.647,1229 0.837,1230 1.673,1231 1.215,1232 1.133,1233 1.548,1234 1.436,1235 0.675,1236 1.478,1237 0.974,1238 0.903,1239 1.417,1240 1.239,1241 0.493,1242 1.308,1243 0.934,1244 0.804,1245 1.298,1246 1.211,1247 0.469,1248 1.241,1249 0.807,1250 0.712,1251 1.192,1252 1.074,1253 0.363,1254 1.121,1255 3.761,1257 5.094,1258 2.398,1259 6.629,1260 4.844,1261 8.268,1262 7.034,1263 9.969,1265 6.394,1271 5.322,1273 5.802,1276 2.241,1280 24.026,1281 55.552,1282 123.439,1283 173.13,1284 187.395,1285 187.395,1286 187.395,1287 20.881,1288 6.815,1289 17.4,1290 17.4,1291 17,1292 12.395,1293 3.459,1294 2.585,1295 27.598,1296 48,1297 53,1298 0.29,1299 147.943,1300 246.71,1301 352.741,1302 7040,1304 13.405,1305 0.706,1306 0.635,1307 13.405,1308 12.07,1309 9.165,1310 0.436,1311 0.335,1312 6.934,1313 8.807,1314 6.638,1315 5.552,1316 9.165,1317 7.039,1318 8.471,1319 0.282,1320 0.19,1321 8.471,1322 5.707,1323 6.892,1324 0.168,1325 0.096,1326 6.892,1327 3.956,1328 6.048,1329 0.104,1330 0.051,1331 6.048,1332 2.985,1333 5.202,1334 0.068,1335 0.03,1336 5.202,1337 2.256,1338 0.428,1339 57.337,1340 0.268,1341 18.489,1342 0.876,1343 102,1344 235.026,1345 109.04,1346 227.315,1347 321.29,1348 216,1349 122,1350 242.68,1351 130.317,1352 250.396,1353 368.11,1354 233,1355 5.032} {0 CHEMBL26533,1 1.342,2 13.903,3 4.323,4 18.692,5 125.647,6 6.081,7 0.171,8 4.319,9 4.459,10 3.729,11 3.83,12 5.151,13 3.771,14 4.978,15 5.186,16 4.111,17 4.319,18 5.723,19 4.223,20 5.345,21 5.596,22 4.186,23 4.541,24 6.043,25 4.389,26 5.45,27 5.742,28 4.04,29 4.475,30 6.157,31 4.292,32 5.299,33 5.585,34 3.897,35 4.326,36 6.032,37 4.148,38 5.221,39 5.52,40 3.669,41 4.216,42 5.909,43 4.007,44 5.085,45 5.406,46 3.529,47 4.083,48 5.652,49 3.857,50 4.959,51 5.278,52 3.492,53 3.967,54 5.534,55 3.766,56 0.079,57 1.016,58 17.879,59 7.075,60 9.475,61 10.314,62 0.318,63 1.764,64 34.272,65 12.333,66 24.121,67 18.486,68 0.427,69 2.311,70 48.32,71 17.658,72 29.322,73 26.328,74 0.51,75 2.285,76 53.015,77 17.927,78 48.653,79 27.165,80 0.494,81 1.975,82 45.873,83 15.248,84 42.444,85 23.078,86 0.499,87 1.78,88 42.001,89 14.096,90 44.932,91 21.429,92 0.34,93 1.571,94 35.854,95 12.581,96 27.456,97 19.379,98 0.305,99 1.386,100 31.801,101 10.975,102 20.597,103 16.794,104 6,105 50,106 0.214,107 0.445,108 0.642,109 0.773,110 0.787,111 0.787,112 3.471,113 1.075,114 -4.76,115 -4.67,116 -4.39,119 37.1,121 8,122 3,123 1,124 1,125 6,140 4,142 2,156 1,169 16,172 4,174 1,176 2,178 20,181 2,182 8,186 4,189 13,193 6,197 3,199 4,203 6,206 1,208 3,211 4,214 1,215 3,222 6,225 1,226 2,233 7,237 4,240 1,244 6,249 4,256 3,259 1547,260 21.411,261 21.411,262 21.411,263 21.411,264 21.411,265 20.567,266 25.129,267 12.596,268 21.849,269 17.262,270 17.262,271 17.262,272 17.262,273 17.262,274 15.908,275 34.032,276 5.929,277 17.844,278 4.787,279 3.332,280 2.097,281 1.268,282 1.183,283 1.183,284 4.184,288 1,289 1,290 972,291 3.937,295 618.799,297 389.94,302 2.183,303 20.424,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 65.5,315 431,316 4.599,317 4.025,318 7.651,319 4.552,320 3.549,321 3.862,322 1.907,323 14.067,324 3.557,325 4.294,326 3.288,327 6.498,328 3.961,329 3.018,330 3.692,331 0.86,332 10.161,333 2.844,334 3.689,335 2.968,336 5.75,337 3.635,338 2.633,339 2.727,340 0.8,341 8.065,342 2.636,343 3.573,344 2.841,345 5.409,346 3.445,347 2.518,348 2.62,349 0.8,350 7.091,351 2.331,352 3.19,353 2.454,354 5.115,355 3,356 2.06,357 2.282,358 0.149,359 6.076,360 2,361 3,362 2.348,363 5.061,364 3,365 2,366 2.085,368 6.076,369 2,370 3,371 2,372 5.061,373 2.985,374 2,375 2,377 6.014,378 1.908,379 2.959,380 2,381 4.803,382 2.791,383 1.822,384 2,386 4.683,387 1.756,388 2.917,389 1.79,390 4.03,391 2.464,392 1.498,393 1.955,395 3.398,396 1.439,397 2.606,398 1.683,399 3.706,400 2.43,401 1.422,402 1.598,404 3.121,405 1.426,406 2.447,407 1.278,408 3.595,409 2.12,410 1.14,411 1.421,413 2.777,414 1.115,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 1.833,425 1.09,426 3.396,427 1.687,428 0.701,429 0.756,431 1.535,432 0.686,433 1.639,434 0.939,435 3.396,436 1.362,437 0.482,438 0.542,440 0.755,441 0.42,442 1.089,443 0.369,444 3.189,445 1,451 14.867,452 0.48,453 0.695,454 0.022,455 28.75,456 0.927,457 8.5,458 0.274,459 20.25,460 0.653,461 37.427,462 1.207,463 36.133,464 0.516,465 17.364,466 0.56,467 4.528,468 0.146,469 10.621,470 0.343,471 0.056,472 0.034,473 0.256,479 0.809,480 1.498,481 0.981,482 1.285,483 0.551,484 1.167,485 1.064,486 1.153,487 1.076,488 1.067,489 0.588,490 1.063,491 0.846,492 1.166,493 1.092,494 1.18,495 0.78,496 1.159,497 1.201,498 1.008,499 1.013,500 0.987,501 1.559,502 0.983,503 1.331,504 0.993,505 1.082,506 0.999,507 1.477,508 1.013,509 1.262,510 0.949,511 1.094,512 0.954,513 1.578,514 1.004,515 0.604,516 0.948,517 0.893,518 0.937,519 0.628,520 0.94,521 0.776,522 0.823,523 0.86,524 0.844,525 0.57,526 0.851,527 7,528 0.108,529 3.111,530 2.188,531 1.178,532 0.889,533 0.462,534 0.28,535 0.263,536 0.118,537 16791,538 29335,539 2.172,540 55.7,541 15,542 19,545 1,547 4,550 1.726,551 2.078,552 3.705,553 -0.425,559 93.953,560 1.342,561 2.797,562 4.032,563 4.861,564 4.947,565 4.947,566 3.051,567 4.131,568 4.933,569 3.964,570 1843.48,571 8.55,572 28744.9,577 429.05,578 1.327,579 4.9,580 0.2,581 0.004,582 0.062,583 0.044,584 0.029,585 0.025,586 0.017,587 0.012,588 0.011,589 0.005,590 0.409,591 0.33,592 0.88,593 0.575,594 166.314,595 0.029,596 -0.161,597 0.088,598 -0.04,599 0.053,600 0.019,601 -0.038,602 0.053,603 -0.023,604 0.034,605 0.05,606 0.012,607 0.027,608 -0.083,609 -0.092,610 -0.135,611 0.026,612 -0.126,613 -0.064,614 -0.056,615 -0.02,616 -0.034,617 -0.083,618 -0.024,619 -0.086,620 -0.024,621 -0.072,622 -0.05,623 -0.089,624 -0.059,625 -0.092,626 -0.014,627 -0.103,628 -0.018,629 -0.144,630 -0.059,631 0.073,632 -0.023,633 0.043,634 0.001,635 0.032,636 0.016,637 0.033,638 0.108,639 0.093,640 0.085,641 0.037,642 0.096,643 1.281,644 6.047,645 0.71,646 31.906,647 0.984,648 1.134,649 3.527,650 12.437,651 0.623,652 3.584,653 3.932,654 4.234,655 4.543,656 4.812,657 4.883,658 4.997,659 4.97,660 4.736,661 4.615,662 8.594,663 0.571,664 425.68,665 3.584,666 5.142,667 6.009,668 6.909,669 7.793,670 8.702,671 9.593,672 10.508,673 11.404,674 12.323,675 4.3,678 1,681 1,682 1,688 4,693 2,695 6,709 1,712 1,714 70,716 7,717 1,718 35,720 74,721 26,722 6,723 2,724 4,730 5,731 9,737 1,739 1,740 6,741 3,743 8,745 7,746 19,747 3,750 1,755 1,759 1,764 39,765 5,766 1,767 5,773 3,777 0.6,778 2,793 6,795 3,805 1,815 1,819 3,823 1,827 31,833 14,834 1,835 1,837 3,838 2,839 1,847 2.9,850 1,852 1,854 14.917,855 12.317,856 6.764,857 4.738,858 1.022,859 1.127,860 0.958,861 6.48,862 9.096,863 3.689,864 4.135,865 4.562,866 4.962,867 5.343,868 5.348,869 5.521,870 5.519,871 5.49,872 5.452,873 0.889,874 50,875 11.638,877 5.055,878 7.379,879 23.742,881 21.302,883 1.879,884 58.25,888 447.302,889 94.403,890 24.259,892 36.145,895 94.403,896 483.447,897 24.259,898 10.883,899 50.921,900 37.905,901 29.85,902 25.249,904 447.302,906 447.302,907 118.663,908 36.145,911 400.217,912 83.229,915 54.046,916 64.617,919 447.302,920 60.404,921 94.403,924 447.302,925 45.615,926 55.037,927 18.011,928 36.145,929 447.302,930 60.404,931 94.403,933 0.581,934 0.347,935 0.195,936 0.108,937 26,938 10,939 0.108,940 8,941 6,942 1.364,943 4.462,944 276.83,945 0.545,946 18,947 135.315,951 21.579,952 9.31,953 4.614,955 60.404,956 8.308,961 2.169,963 18.011,964 602.109,965 39,970 13.047,974 0.386,975 68.865,976 79.387,977 0.219,978 0.456,979 0.658,980 0.793,981 0.807,982 0.807,983 4.987,984 1.822,985 6.014,986 6.014,987 4.615,988 4.82,989 2.346,990 6.882,991 4.56,992 6.13,993 1.498,994 7.605,995 4.683,996 4.29,997 4.543,998 1.738,999 8.124,1000 4.226,1001 7.425,1002 1.422,1003 9.313,1004 3.398,1005 6.293,1006 6.743,1007 3.009,1008 11.224,1009 6.202,1010 8.75,1011 1.14,1012 11.099,1013 3.121,1014 6.825,1015 7.31,1016 3.061,1017 13.389,1018 6.739,1019 10.118,1020 1,1021 12.941,1022 2.777,1023 8.319,1024 9.028,1025 4.061,1026 16.115,1027 8.218,1028 11.516,1029 0.701,1030 14.826,1031 2.275,1032 9.254,1033 9.984,1034 4.414,1035 18.607,1036 9.167,1037 12.937,1038 0.482,1039 16.743,1040 1.535,1041 10.568,1042 11.514,1043 5.255,1044 21.255,1045 10.478,1046 3.549,1048 18.685,1049 0.755,1050 11.683,1051 12.652,1052 5.75,1053 23.849,1054 11.609,1055 3.018,1056 14.067,1057 20.647,1059 12.941,1060 14.096,1061 6.502,1062 26.485,1063 12.871,1064 2.633,1065 10.161,1066 22.624,1067 3.862,1068 14.135,1069 15.322,1070 7.068,1071 29.111,1072 14.079,1073 2.518,1074 8.065,1075 24.613,1076 3.692,1077 15.381,1078 16.723,1079 7.771,1080 31.748,1081 15.333,1082 2.06,1083 7.091,1084 26.612,1085 2.727,1086 16.608,1087 17.995,1088 8.374,1089 34.385,1090 16.572,1091 2,1092 6.076,1093 28.618,1094 2.62,1095 17.856,1096 19.371,1097 9.051,1098 37.025,1099 17.828,1100 2,1101 6.076,1102 30.63,1103 2.282,1104 19.1,1105 20.67,1106 9.674,1107 39.665,1108 19.081,1109 15244,1110 20238,1111 24.038,1112 43.631,1113 52.291,1114 53.58,1115 54.441,1116 51.713,1117 51.686,1118 57.082,1119 9.032,1120 152.186,1121 50.162,1122 5.599,1123 6.025,1124 7.42,1125 5.619,1126 5.549,1127 6.862,1128 3.306,1129 21.369,1130 5.557,1131 10.694,1132 1.494,1133 1.531,1134 1.555,1135 1.478,1136 1.477,1137 1.631,1138 0.258,1139 4.348,1140 1.433,1141 4.09,1142 4.132,1143 3.991,1144 4.004,1145 7.428,1146 3.994,1147 3.962,1148 4.007,1149 3.894,1150 3.851,1151 4.869,1152 3.856,1153 3.779,1154 3.837,1155 3.661,1156 3.623,1157 4.433,1158 3.622,1159 3.637,1160 3.706,1161 3.51,1162 3.455,1163 4.402,1164 3.456,1165 3.426,1166 3.478,1167 3.303,1168 3.257,1169 4.326,1170 3.262,1171 3.249,1172 3.315,1173 3.063,1174 3.096,1175 4.149,1176 3.073,1177 3.228,1178 3.304,1179 3.039,1180 3.096,1181 3.847,1182 3.073,1183 3.228,1184 3.304,1185 3.039,1186 2.976,1187 3.616,1188 2.983,1189 0.131,1190 0.115,1191 0.219,1192 0.13,1193 0.101,1194 4.599,1195 0.11,1196 4.025,1197 0.054,1198 7.651,1199 0.402,1200 4.552,1201 0.102,1202 3.549,1203 3.862,1204 1.907,1205 14.067,1206 3.557,1207 2.071,1208 2.033,1209 2.236,1210 2.18,1211 1.705,1212 2.2,1213 1.913,1214 1.88,1215 2.05,1216 2.068,1217 1.361,1218 2.066,1219 1.761,1220 1.697,1221 1.964,1222 1.932,1223 1.226,1224 1.944,1225 1.614,1226 1.545,1227 1.853,1228 1.823,1229 1.029,1230 1.835,1231 1.387,1232 1.34,1233 1.604,1234 1.603,1235 0.947,1236 1.605,1237 1.262,1238 1.192,1239 1.573,1240 1.512,1241 0.947,1242 1.532,1243 1.262,1244 1.192,1245 1.562,1246 1.445,1247 0.945,1248 1.489,1249 1.197,1250 1.125,1251 1.562,1252 1.445,1253 0.825,1254 1.489,1255 4.263,1257 5.602,1259 7.166,1261 8.844,1263 10.584,1265 1.747,1271 16.214,1272 3.339,1273 5.523,1275 2.518,1276 4.994,1277 0.004,1280 39.976,1281 93.953,1282 195.811,1283 282.256,1284 340.256,1285 346.256,1286 346.256,1287 52.627,1288 8.074,1289 44.81,1290 44.81,1291 30,1292 12.837,1293 3,1294 2.322,1295 44.263,1296 167,1297 123,1298 0.127,1299 239.87,1300 425.68,1301 577.043,1302 44091,1304 21.261,1305 0.686,1306 0.618,1307 21.261,1308 19.152,1309 15.149,1310 0.433,1311 0.358,1312 12.401,1313 14.657,1314 12.114,1315 9.952,1316 15.149,1317 12.537,1318 13.716,1319 0.274,1320 0.213,1321 13.716,1322 10.661,1323 11.87,1324 0.175,1325 0.125,1326 11.87,1327 8.505,1328 10.417,1329 0.112,1330 0.079,1331 10.417,1332 7.342,1333 8.688,1334 0.071,1335 0.047,1336 8.688,1337 5.777,1338 0.211,1339 94.228,1340 0.204,1341 30.044,1342 0.32,1343 170,1344 355.094,1345 181.31,1346 339.752,1347 470.28,1348 322,1349 203,1350 343.802,1351 215.754,1352 349.605,1353 514.94,1354 329,1355 6.337} {0 CHEMBL266591,1 1.473,2 5.571,3 1.429,4 2.041,5 56.908,6 6.795,7 0.667,8 3.426,9 3.564,10 2.895,11 2.946,12 4.539,13 2.913,14 3.908,15 4.093,16 3.235,17 3.332,18 4.934,19 3.27,20 4.126,21 4.343,22 3.228,23 3.422,24 5.119,25 3.332,26 4.171,27 4.409,28 3.077,29 3.391,30 5.062,31 3.254,32 4.106,33 4.368,34 2.899,35 3.2,36 5.082,37 3.039,38 4.045,39 4.355,40 2.32,41 2.887,42 4.977,43 2.668,44 3.618,45 3.966,46 1.663,47 2.234,48 4.638,49 1.974,50 2.744,51 3.117,52 0.502,53 1.358,54 3.526,55 1.074,56 0.052,57 0.406,58 6.518,59 2.484,60 8.791,61 3.493,62 0.049,63 0.627,64 10.763,65 4.244,66 11.04,67 6.084,68 0.127,69 0.723,70 13.931,71 4.94,72 19.123,73 7.197,74 0.101,75 0.724,76 14.575,77 5.356,78 13.306,79 7.874,80 0.156,81 0.641,82 13.941,83 4.867,84 19.351,85 7.276,86 0.184,87 0.525,88 13.785,89 3.87,90 31.161,91 6.092,92 0.209,93 0.278,94 9.38,95 2.496,96 36.05,97 3.856,98 0.077,99 0.107,100 3.824,101 0.922,102 12.681,103 1.495,104 12,105 21,106 0.29,107 0.707,108 0.836,109 0.869,110 0.869,111 0.869,112 2.736,113 0.945,114 -2.53,115 -2.55,116 -2.49,119 39.3,120 1,121 1,125 1,140 3,141 2,142 1,150 2,161 1,162 1,163 1,169 4,176 7,178 5,180 1,186 6,189 6,191 1,197 2,199 4,201 1,207 2,208 3,210 1,211 2,213 2,220 2,224 1,230 1,231 1,232 1,235 1,259 164,260 9.37,261 9.37,262 9.37,263 9.37,264 9.37,265 8.135,266 6.402,267 5.567,268 9.489,269 7.364,270 7.364,271 7.364,272 7.364,273 7.364,274 5.493,275 3.243,276 2.555,277 7.573,278 3.334,279 1.211,280 0.554,281 0.384,282 0.384,283 0.384,284 3.374,288 1,289 1,290 160,291 2.121,294 25.351,295 30.657,298 47.432,302 0.857,303 11.461,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 30,315 78,316 4.63,317 3.302,318 6.727,319 4.171,320 3.188,321 4.588,323 10.955,324 3.134,325 3.752,326 2.612,327 5.508,328 3.341,329 2.372,330 3.215,332 6.906,333 2.296,334 3.357,335 2.133,336 4.968,337 2.921,338 1.958,339 2.697,341 5.762,342 1.877,343 3.063,344 1.897,345 4.707,346 2.634,347 1.667,348 2.29,350 4.768,351 1.609,352 2.447,353 1.381,354 3.716,355 2.235,356 1.256,357 1.438,359 2.699,360 1.228,361 1.97,362 0.832,363 3.09,364 1.622,365 0.658,366 0.84,368 1.325,369 0.632,370 1.225,371 0.366,372 2.461,373 0.944,379 0.682,380 -0.286,381 2.281,382 0.335,383 -0.606,384 -0.718,386 -1.215,387 -0.56,388 0.63,389 -0.457,390 2.211,391 0.247,392 -0.716,393 -0.872,395 -1.694,396 -0.693,397 0.233,398 -0.923,399 1.669,400 -0.014,401 -1,402 -1.332,404 -2.764,405 -0.987,406 -0.027,407 -1.119,408 1.519,409 -0.4,410 -1.321,411 -1.672,413 -3.27,414 -1.22,415 -0.324,416 -1.457,417 1.121,418 -0.686,419 -1.666,420 -2.036,422 -4.594,423 -1.62,424 -0.421,425 -1.764,426 1.084,427 -0.878,428 -1.872,429 -2.599,431 -5.657,432 -1.833,433 -0.5,434 -1.896,435 0.696,436 -0.973,437 -1.919,438 -2.841,440 -6.322,441 -1.862,442 -0.718,443 -2,444 0.242,445 -1,446 -2,447 -3,449 -6.898,450 -2,451 6.633,452 0.474,453 0.366,454 0.026,455 17,456 1.214,457 8.5,458 0.607,459 8.5,460 0.607,461 9.562,462 0.683,463 15.567,464 0.556,465 9.755,466 0.697,467 3.425,468 0.245,469 3.294,470 0.235,471 0.186,473 0.377,479 1.158,480 1.063,481 0.959,482 0.919,483 1.167,484 0.904,485 0.68,486 1.164,487 0.809,488 1.043,489 0.59,490 0.953,491 1.06,492 1.013,493 1.022,494 0.989,495 0.935,496 0.993,497 0.779,498 1.187,499 1.073,500 1.216,501 0.682,502 1.187,503 0.569,504 1.203,505 1.013,506 1.274,507 0.654,508 1.216,509 1.354,510 0.941,511 1.201,512 1.005,513 1.416,514 1.065,515 1.559,516 0.54,517 0.911,518 0.563,519 1.713,520 0.664,521 1.755,522 0.274,523 0.969,524 0.336,525 1.993,526 0.523,527 3,529 1.778,530 1.451,531 0.773,532 0.441,533 0.101,534 0.028,537 1142,538 2934,539 1.993,540 50,542 5,545 4,546 3,547 2,550 1.515,551 1.826,552 2.544,553 2.242,557 1,559 41.249,560 1.473,561 3.596,562 4.253,563 4.423,564 4.423,565 4.423,566 1.924,567 3.664,568 3.776,569 2.575,570 234.3,571 6.326,572 1802.86,574 1,577 134.606,578 1.531,579 3.714,580 0.2,582 0.085,583 0.073,584 0.048,585 0.037,586 0.02,587 0.014,590 0.476,591 0.67,592 1,593 1.292,594 51.594,595 -0.194,596 0.179,597 -0.02,598 0.174,599 -0.223,600 0.115,601 0.006,602 -0.039,603 0.107,604 0.037,605 0.054,606 0.08,607 -0.137,608 0.05,609 -0.073,610 0.022,611 -0.091,612 -0.008,613 -0.051,614 -0.187,615 -0.148,616 -0.207,617 -0.028,618 -0.193,619 0.225,620 -0.257,621 -0.071,622 -0.312,623 0.128,624 -0.247,625 -0.177,626 -0.087,627 -0.199,628 -0.151,629 -0.171,630 -0.17,631 0.046,632 0.131,633 0.153,634 0.251,635 0.069,636 0.21,637 -0.257,638 0.382,639 0.099,640 0.425,641 -0.318,642 0.326,643 1.366,644 3.387,645 0.643,646 7.102,647 0.994,648 1.132,649 1.298,650 1.684,651 0.644,652 2.773,653 3.091,654 3.367,655 3.664,656 3.829,657 3.738,658 3.689,659 3.555,660 2.89,661 2.303,662 3.497,663 0.604,664 190.27,665 2.773,666 4.29,667 5.142,668 6.033,669 6.915,670 7.812,671 8.703,672 9.602,673 10.496,674 11.394,675 7.1,676 1,683 1,687 2,688 3,690 1,693 3,695 10,711 1,714 28,716 10,717 1,718 15,720 29,721 11,722 8,723 3,724 3,730 2,731 3,736 2,743 1,745 8,746 3,761 1,764 14,765 2,766 4,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 14,828 1,832 1,833 2,847 3.6,849 1,854 7.667,855 5.033,856 3.167,857 1.599,858 2.109,859 1.368,860 0.966,861 2.375,862 7.835,863 3.045,864 3.72,865 4.377,866 5.048,867 5.557,868 5.801,869 6.102,870 6.357,871 5.729,872 5.179,873 0.75,874 20,875 5.145,876 0.002,877 2.134,878 7.774,879 9.875,880 0.001,881 8.042,882 -0.001,883 2.274,884 31.833,885 0.006,888 117.711,889 52.554,890 49.683,892 42.683,895 52.554,896 160.394,897 49.683,898 8.825,899 37.537,900 28.429,901 42.683,902 22.544,903 4.901,904 117.711,906 117.711,907 102.236,908 42.683,911 94.169,912 66.226,915 63.148,916 39.088,919 117.711,920 92.366,921 52.554,924 117.711,925 15.3,926 37.254,927 16.786,928 75.581,929 117.711,930 92.366,931 52.554,933 0.573,934 0.342,935 0.202,936 0.119,937 11,938 5,939 0.069,940 2,941 1,942 1.222,943 2.559,944 89.398,945 0.222,946 9,947 53.303,951 9.401,952 3.537,953 1.606,954 2.136,955 75.581,956 5.353,958 3.272,961 2.643,963 92.366,964 262.631,965 20,975 27.833,976 31.697,977 0.306,978 0.748,979 0.885,980 0.92,981 0.92,982 0.92,983 4.256,984 -0.606,985 5.142,987 3.761,988 4.401,990 5.984,991 3.709,992 5.496,993 -0.716,994 6.72,995 -1.215,996 3.434,997 4.407,999 6.952,1000 3.353,1001 6.833,1002 -1,1003 8.402,1004 -1.694,1005 5.371,1006 6.753,1008 10.08,1009 5.281,1010 8.213,1011 -1.321,1012 10.143,1013 -2.764,1014 5.861,1015 7.596,1017 11.907,1018 5.749,1019 9.627,1020 -1.666,1021 11.922,1022 -3.27,1023 7.31,1024 9.444,1026 14.558,1027 7.189,1028 11.067,1029 -1.872,1030 13.729,1031 -4.594,1032 8.181,1033 10.67,1035 16.737,1036 8.042,1037 12.528,1038 -1.919,1039 15.556,1040 -5.657,1041 9.442,1042 12.321,1044 19.223,1045 9.293,1046 3.188,1047 -2,1048 17.4,1049 -6.322,1050 10.481,1051 13.719,1053 21.538,1054 10.315,1055 2.372,1056 10.955,1057 19.256,1058 -6.898,1059 11.673,1060 15.293,1062 23.964,1063 11.494,1064 1.958,1065 6.906,1066 21.123,1067 4.588,1068 12.783,1069 16.764,1071 26.329,1072 12.587,1073 1.667,1074 5.762,1075 22.998,1076 3.215,1077 13.951,1078 18.306,1080 28.735,1081 13.741,1082 1.256,1083 4.768,1084 24.879,1085 2.697,1086 15.089,1087 19.808,1089 31.118,1090 14.863,1091 0.658,1092 2.699,1093 26.765,1094 2.29,1095 16.25,1096 21.339,1098 33.516,1099 16.008,1101 1.325,1102 28.656,1103 1.438,1104 17.4,1105 22.853,1107 35.906,1108 17.141,1109 1233,1110 2020,1111 9.652,1112 18.034,1113 22.439,1114 22.599,1115 23.832,1116 22.248,1117 22.199,1118 30.139,1120 64.829,1121 21.551,1122 5.348,1123 5.302,1124 6.486,1125 5.171,1126 5.188,1127 7.588,1129 17.852,1130 5.134,1131 7.117,1132 1.496,1133 1.507,1134 1.589,1135 1.483,1136 1.48,1137 2.009,1139 4.322,1140 1.437,1141 4.139,1142 4.17,1143 4.1,1144 4.055,1145 6.471,1146 4.063,1147 3.572,1148 3.633,1149 3.461,1150 3.443,1151 5.019,1152 3.44,1153 3.405,1154 3.486,1155 3.244,1156 3.185,1157 4.887,1158 3.185,1159 2.989,1160 3.069,1161 2.835,1162 2.797,1163 4.166,1164 2.797,1165 2.936,1166 3.021,1167 2.734,1168 2.76,1169 3.772,1170 2.743,1171 2.64,1172 2.77,1173 2.368,1174 2.317,1175 3.569,1176 2.311,1177 2.418,1178 2.498,1179 2.181,1180 1.975,1181 3.418,1182 2.005,1183 2.061,1184 2.236,1185 1.692,1186 1.695,1187 2.783,1188 1.676,1189 0.309,1190 0.22,1191 0.448,1192 0.278,1193 0.213,1194 4.63,1195 0.306,1196 3.302,1198 6.727,1199 0.73,1200 4.171,1201 0.209,1202 3.188,1203 4.588,1205 10.955,1206 3.134,1207 1.933,1208 1.914,1209 2.019,1210 2.018,1211 1.231,1212 2.018,1213 1.698,1214 1.644,1215 1.885,1216 1.88,1217 1.03,1218 1.887,1219 1.379,1220 1.292,1221 1.678,1222 1.646,1223 0.784,1224 1.66,1225 0.986,1226 0.942,1227 1.267,1228 1.26,1229 0.33,1230 1.248,1231 0.935,1232 0.853,1233 1.186,1234 1.193,1235 0.21,1236 1.225,1237 0.672,1238 0.555,1239 1.054,1240 0.963,1241 0.093,1242 1.002,1243 0.419,1244 0.288,1245 0.825,1246 0.848,1248 0.845,1249 0.067,1251 0.683,1252 0.543,1254 0.6,1255 3.434,1257 4.745,1258 2.398,1259 6.26,1260 4.844,1261 7.874,1262 7.018,1263 9.541,1265 2.03,1269 5.541,1270 9.387,1271 1.471,1280 16.918,1281 41.249,1282 100.69,1283 119.096,1284 123.851,1285 123.851,1286 123.851,1287 17.377,1288 5.727,1289 62.04,1290 62.04,1291 11,1292 11.918,1293 3.459,1294 2.585,1295 21.155,1296 29,1297 31,1298 0.397,1299 107.375,1300 172.57,1301 253.754,1302 1608,1304 10.129,1305 0.724,1306 0.584,1307 10.129,1308 8.171,1309 6.72,1310 0.448,1311 0.315,1312 4.678,1313 6.535,1314 4.528,1315 3.785,1316 6.72,1317 4.723,1318 6.008,1319 0.286,1320 0.167,1321 6.008,1322 3.497,1323 4.888,1324 0.175,1325 0.089,1326 4.888,1327 2.497,1328 4.211,1329 0.111,1330 0.048,1331 4.211,1332 1.837,1333 3.459,1334 0.077,1335 0.027,1336 3.459,1337 1.198,1338 0.57,1339 41.656,1340 0.322,1341 13.777,1342 1.253,1343 72,1344 177.795,1345 76.851,1346 178.21,1347 246.27,1348 166,1349 85,1350 184.706,1351 89.326,1352 189.734,1353 276.1,1354 179,1355 5.914} {0 CHEMBL267014,1 1.493,2 10.739,3 3.4,4 11.558,5 94.836,6 7.782,7 0.615,8 3.848,9 3.977,10 3.473,11 3.42,12 4.855,13 3.388,14 4.403,15 4.591,16 3.839,17 3.833,18 5.351,19 3.777,20 4.654,21 4.877,22 3.835,23 3.974,24 5.512,25 3.861,26 4.705,27 4.958,28 3.623,29 3.938,30 5.462,31 3.779,32 4.682,33 4.968,34 3.517,35 3.834,36 5.382,37 3.664,38 4.557,39 4.83,40 3.493,41 3.732,42 5.282,43 3.568,44 4.436,45 4.715,46 3.36,47 3.572,48 5.229,49 3.401,50 4.134,51 4.399,52 3.118,53 3.334,54 4.982,55 3.174,56 0.023,57 0.645,58 8.36,59 3.56,60 5.905,61 4.916,62 0.165,63 1.073,64 16.884,65 5.894,66 15.062,67 8.291,68 0.221,69 1.27,70 25.094,71 8.511,72 20.876,73 11.939,74 0.216,75 1.274,76 27.015,77 9.655,78 21.328,79 13.682,80 0.245,81 1.211,82 26.41,83 9.5,84 22.895,85 13.801,86 0.154,87 1.074,88 23.159,89 8.232,90 17.026,91 11.834,92 0.267,93 0.905,94 25.3,95 7.113,96 23.047,97 9.987,98 0.235,99 0.661,100 19.398,101 5.479,102 20.038,103 7.644,104 2,105 36,106 0.261,107 0.606,108 0.736,109 0.817,110 0.817,111 0.817,112 3.188,113 0.959,114 -4.19,115 -4.14,116 -3.91,119 42.9,125 5,140 6,141 2,142 2,143 1,149 1,159 1,169 5,172 5,174 1,176 2,178 6,181 1,182 5,186 1,189 5,193 1,195 1,197 1,202 1,203 5,215 3,226 1,229 1,233 2,236 1,237 2,244 4,254 2,256 4,259 677,260 15.947,261 15.947,262 15.947,263 15.947,264 15.947,265 14.038,266 17.418,267 9.449,268 16.422,269 12.852,270 12.852,271 12.852,272 12.852,273 12.852,274 10.074,275 25.12,276 4.51,277 13.679,278 3.899,279 1.922,280 1.179,281 0.714,282 0.714,283 0.714,284 3.892,285 1,287 1,288 1,289 1,290 553,291 2.121,294 50.351,295 207.188,298 94.69,302 1.796,303 10.639,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 48.333,315 247,316 4.527,317 3.225,318 6.535,319 4.05,320 3.077,321 4.474,322 0.916,323 10.309,324 2.999,325 4.131,326 3.119,327 6.148,328 3.82,329 2.88,330 3.675,331 0.8,332 9.072,333 2.705,334 3.67,335 2.877,336 5.435,337 3.399,338 2.475,339 2.904,340 0.172,341 7.18,342 2.282,343 3.512,344 2.682,345 5.054,346 3.142,347 2.253,348 2.805,350 6.097,351 1.964,352 3.224,353 2.053,354 4.962,355 2.837,356 1.888,357 2.362,359 5.577,360 1.766,361 3.045,362 1.675,363 4.305,364 2.511,365 1.546,366 2.317,368 4.005,369 1.488,370 2.681,371 1.546,372 4.148,373 2.353,374 1.425,375 1.737,377 3.696,378 1.29,379 2.573,380 1.204,381 3.583,382 2.114,383 1.147,384 1.593,386 2.744,387 1.104,388 2.5,389 1.146,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.075,398 1,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2,407 0.738,408 3.164,409 1.578,410 0.643,411 0.9,413 1.5,414 0.599,415 1.262,416 0.456,417 2.828,418 1.003,419 0.072,420 0.082,422 0.174,423 0.063,424 1.004,425 0.111,426 2.447,427 0.612,428 -0.256,429 -0.308,431 -0.609,432 -0.19,433 0.669,434 -0.444,435 2,436 0.248,437 -0.682,438 -0.794,440 -1.615,441 -0.605,442 0.578,443 -0.6,444 2,445 0.128,446 -0.843,447 -1,449 -2.063,450 -0.815,451 11.314,452 0.492,453 0.465,454 0.02,455 30.25,456 1.315,457 14.5,458 0.63,459 15.75,460 0.685,461 17.406,462 0.757,463 24.086,464 0.573,465 18.634,466 0.81,467 6.003,468 0.261,469 5.29,470 0.23,471 0.063,473 0.292,479 0.839,480 1.442,481 0.633,482 0.993,483 0.641,484 0.914,485 1.188,486 1.084,487 0.775,488 0.829,489 0.703,490 0.869,491 1.104,492 1.071,493 1.002,494 1.03,495 0.834,496 1.053,497 0.827,498 1.042,499 0.942,500 1.107,501 0.851,502 1.134,503 0.514,504 0.921,505 0.643,506 0.94,507 0.615,508 0.967,509 0.761,510 1.098,511 0.752,512 1,513 0.739,514 1.023,515 1.399,516 0.829,517 1.302,518 0.961,519 1.482,520 0.978,521 1.173,522 0.728,523 1.371,524 1.028,525 1.496,526 0.99,527 4,528 0.061,529 2.667,530 1.167,531 0.702,532 0.618,533 0.332,534 0.161,535 0.184,536 0.095,537 6581,538 17118,539 2.196,540 45.2,542 16,543 1,544 1,545 1,550 1.65,551 2.123,552 3.383,553 -0.326,554 1,555 1,557 1,559 62.708,560 1.493,561 3.47,562 4.214,563 4.678,564 4.678,565 4.678,566 2.91,567 3.969,568 4.496,569 3.533,570 893.838,571 7.703,572 10314.5,573 1,574 1,576 1,577 226.477,578 1.121,579 4.483,580 0.154,581 0.004,582 0.074,583 0.034,584 0.026,585 0.026,586 0.015,587 0.009,588 0.012,589 0.006,590 0.361,591 0.67,592 1,593 0.393,594 108.977,595 -0.015,596 -0.264,597 0.04,598 -0.071,599 0.039,600 -0.008,601 -0.133,602 0.068,603 -0.017,604 0.064,605 0.047,606 0.022,607 -0.12,608 -0.035,609 -0.115,610 -0.085,611 0.011,612 -0.108,613 -0.043,614 -0.083,615 -0.115,616 -0.142,617 -0.092,618 -0.151,619 0.156,620 -0.005,621 0.094,622 0.017,623 0.034,624 0.034,625 0.016,626 -0.165,627 0.059,628 -0.042,629 -0.011,630 -0.034,631 -0.156,632 0.102,633 -0.11,634 0.024,635 -0.236,636 0.001,637 0.009,638 0.189,639 -0.131,640 -0.01,641 -0.183,642 0.01,643 0.875,644 1.855,645 0.913,646 19.633,647 0.995,648 1.125,649 2.965,650 8.79,651 0.69,652 3.296,653 3.611,654 3.892,655 4.143,656 4.357,657 4.369,658 4.477,659 4.575,660 4.635,661 4.736,662 6.223,663 0.646,664 326.86,665 3.296,666 4.828,667 5.68,668 6.55,669 7.415,670 8.288,671 9.158,672 10.033,673 10.905,674 11.781,675 9.5,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,713 1,714 42,716 16,717 1,718 26,720 45,721 18,722 13,723 2,724 4,730 4,731 5,732 1,745 13,746 5,760 1,761 1,764 19,765 3,766 1,767 5,768 1,773 4,777 0.75,786 1,788 1,792 1,793 3,796 1,815 1,819 3,824 1,827 23,833 5,838 2,846 1,854 10.833,855 7.41,856 5,857 2.543,858 2.961,859 1.405,860 1.035,861 4.145,862 10.272,863 3.555,864 4.155,865 4.748,866 5.32,867 5.788,868 5.942,869 6.238,870 6.519,871 6.383,872 6.648,873 1,874 34,875 8.478,877 3.582,878 7.476,879 16.73,881 14.061,883 1.976,884 45.444,885 0.001,887 1,888 211.88,889 99.212,890 39.82,891 39.149,895 99.212,896 251.028,897 39.82,899 10.529,900 65.905,901 30.272,902 44.097,903 11.771,904 188.338,905 39.149,906 211.88,907 139.032,909 39.149,911 211.88,915 41.201,916 81.045,917 55.934,919 211.88,920 39.82,921 138.361,924 211.88,925 24.26,926 81.201,927 16.786,928 55.934,929 211.88,930 39.82,931 138.361,933 0.58,934 0.339,935 0.182,936 0.1,937 19,938 7,939 0.067,940 3,941 1,942 1.095,943 3.706,944 184.299,945 0.095,946 21,947 96.042,951 14.851,952 6.419,953 3.166,954 2.204,955 23.034,956 16.171,957 4.361,958 3.257,961 3.374,963 16.786,964 390.06,965 34,975 41.8,976 47.259,977 0.277,978 0.644,979 0.781,980 0.868,981 0.868,982 0.868,983 4.779,984 1.147,985 5.645,986 3.696,987 4.29,988 4.84,989 1.242,990 6.428,991 4.174,992 5.964,993 1,994 7.182,995 2.744,996 3.761,997 4.543,998 0.57,999 7.261,1000 3.538,1001 7.255,1002 1,1003 8.816,1004 2.275,1005 5.855,1006 7.039,1007 0.883,1008 10.345,1009 5.64,1010 8.583,1011 0.643,1012 10.511,1013 2.275,1014 6.176,1015 7.653,1016 0.581,1017 12.045,1018 5.886,1019 9.947,1020 0.072,1021 12.245,1022 1.5,1023 7.7,1024 9.58,1025 0.68,1026 14.619,1027 7.406,1028 11.336,1029 -0.256,1030 14.008,1031 0.174,1032 8.423,1033 10.642,1034 0.515,1035 16.674,1036 8.082,1037 12.746,1038 -0.682,1039 15.79,1040 -0.609,1041 9.704,1042 12.322,1043 0.541,1044 19.076,1045 9.347,1046 3.077,1047 -0.843,1048 17.589,1049 -1.615,1050 10.623,1051 13.608,1052 0.441,1053 21.279,1054 10.234,1055 2.88,1056 10.309,1057 19.4,1058 -2.063,1059 11.798,1060 15.179,1061 0.438,1062 23.622,1063 11.388,1064 2.475,1065 9.072,1066 21.22,1067 4.474,1068 12.813,1069 16.574,1070 0.373,1071 25.889,1072 12.377,1073 2.253,1074 7.18,1075 23.048,1076 3.675,1077 13.943,1078 18.098,1079 0.358,1080 28.212,1081 13.485,1082 1.888,1083 6.097,1084 24.882,1085 2.904,1086 15.005,1087 19.545,1088 0.314,1089 30.507,1090 14.523,1091 1.546,1092 5.577,1093 26.721,1094 2.805,1095 16.118,1096 21.05,1097 0.296,1098 32.826,1099 15.614,1100 1.425,1101 4.005,1102 28.565,1103 2.362,1104 17.202,1105 22.522,1106 0.264,1107 35.135,1108 16.675,1109 6088,1110 9914,1111 18.087,1112 28.972,1113 39.11,1114 39.154,1115 39.518,1116 39.026,1117 38.811,1118 50.697,1119 3.778,1120 109.807,1121 36.447,1122 5.527,1123 5.225,1124 6.217,1125 5.118,1126 5.077,1127 7.474,1128 1.605,1129 17.046,1130 4.999,1131 6.376,1132 1.504,1133 1.506,1134 1.52,1135 1.501,1136 1.493,1137 1.95,1138 0.145,1139 4.223,1140 1.402,1141 4.114,1142 4.158,1143 4.076,1144 3.999,1145 5.06,1146 4.012,1147 3.943,1148 3.986,1149 3.998,1150 3.858,1151 4.942,1152 3.855,1153 3.718,1154 3.777,1155 3.68,1156 3.552,1157 4.44,1158 3.557,1159 3.406,1160 3.467,1161 3.351,1162 3.272,1163 4.355,1164 3.271,1165 3.135,1166 3.224,1167 3.245,1168 2.941,1169 4.173,1170 2.924,1171 3.111,1172 3.206,1173 2.925,1174 2.912,1175 3.9,1176 2.91,1177 2.872,1178 2.935,1179 2.866,1180 2.735,1181 3.674,1182 2.72,1183 2.854,1184 2.925,1185 2.687,1186 2.725,1187 3.597,1188 2.715,1189 0.174,1190 0.124,1191 0.251,1192 0.156,1193 0.118,1194 4.527,1195 0.172,1196 3.225,1197 0.035,1198 6.535,1199 0.396,1200 4.05,1201 0.115,1202 3.077,1203 4.474,1204 0.916,1205 10.309,1206 2.999,1207 1.919,1208 1.884,1209 2.041,1210 2.062,1211 1.326,1212 2.062,1213 1.877,1214 1.848,1215 1.964,1216 1.993,1217 1.104,1218 1.984,1219 1.707,1220 1.644,1221 1.876,1222 1.878,1223 1.013,1224 1.886,1225 1.495,1226 1.432,1227 1.67,1228 1.7,1229 0.825,1230 1.7,1231 1.153,1232 1.064,1233 1.513,1234 1.376,1235 0.797,1236 1.429,1237 1.112,1238 1.037,1239 1.353,1240 1.359,1241 0.433,1242 1.368,1243 0.907,1244 0.855,1245 1.181,1246 1.098,1247 0.3,1248 1.114,1249 0.886,1250 0.821,1251 1.117,1252 1.062,1253 0.218,1254 1.107,1255 3.97,1257 5.283,1258 2.398,1259 6.795,1260 4.727,1261 8.389,1262 6.823,1263 10.023,1266 5.966,1271 5.19,1276 4.922,1280 27.128,1281 62.708,1282 145.748,1283 176.968,1284 196.477,1285 196.477,1286 196.477,1287 24.134,1288 7.311,1289 35.16,1290 35.16,1291 23,1292 12.321,1293 4.087,1294 3.17,1295 32.133,1296 87,1297 84,1298 0.182,1299 168.877,1300 278.55,1301 403.821,1302 15126,1303 2.4,1304 15.648,1305 0.68,1306 0.593,1307 16.148,1308 13.63,1309 11.293,1310 0.434,1311 0.32,1312 7.869,1313 10.647,1314 7.68,1315 6.303,1316 11.582,1317 8.311,1318 10.082,1319 0.28,1320 0.177,1321 10.491,1322 6.39,1323 8.736,1324 0.182,1325 0.099,1326 9.025,1327 4.747,1328 7.231,1329 0.117,1330 0.054,1331 7.398,1332 3.326,1333 5.964,1334 0.077,1335 0.031,1336 6.178,1337 2.382,1338 0.29,1339 73.028,1340 0.235,1341 22.896,1342 0.485,1343 124,1344 303.472,1345 147.512,1346 330.893,1347 454.41,1348 312,1349 146,1350 319.229,1351 165.14,1352 335.581,1353 490.88,1354 317,1355 5} {0 CHEMBL267615,1 1.354,2 7.056,3 3.314,4 10.985,5 76.373,6 6.16,7 0.526,8 3.745,9 3.888,10 3.151,11 3.229,12 4.706,13 3.176,14 4.304,15 4.532,16 3.45,17 3.601,18 5.137,19 3.525,20 4.44,21 4.655,22 3.489,23 3.756,24 5.272,25 3.642,26 4.621,27 4.886,28 3.413,29 3.81,30 5.347,31 3.649,32 4.603,33 4.885,34 3.351,35 3.734,36 5.302,37 3.558,38 4.517,39 4.783,40 3.268,41 3.643,42 5.27,43 3.482,44 4.506,45 4.785,46 2.928,47 3.523,48 5.253,49 3.313,50 4.385,51 4.723,52 2.448,53 3.239,54 5.001,55 2.948,56 0.049,57 0.559,58 9.904,59 3.732,60 8.45,61 5.506,62 0.174,63 0.864,64 17.339,65 5.746,66 15.248,67 8.757,68 0.143,69 0.999,70 19.588,71 7.297,72 17.021,73 10.803,74 0.17,75 1.105,76 23.041,77 8.469,78 18.596,79 12.729,80 0.219,81 1.041,82 22.508,83 8.431,84 18.48,85 12.524,86 0.175,87 0.965,88 20.912,89 7.231,90 18.826,91 10.994,92 0.288,93 0.9,94 20.908,95 6.581,96 23.393,97 10.234,98 0.158,99 0.685,100 17.668,101 6.287,102 20.019,103 9.398,104 28,105 26,106 0.245,107 0.563,108 0.774,109 0.814,110 0.814,111 0.814,112 2.961,113 1.022,114 -3.6,115 -3.57,116 -3.4,119 37.5,120 1,121 2,124 3,125 1,140 3,141 2,142 1,150 2,169 5,172 3,176 4,178 5,182 3,186 4,189 7,193 2,199 6,203 3,206 2,211 4,215 3,222 1,225 1,226 2,259 378,260 12.102,261 12.102,262 12.102,263 12.102,264 12.102,265 10.972,266 13.125,267 7.098,268 12.448,269 9.247,270 9.247,271 9.247,272 9.247,273 9.247,274 7.36,275 11.557,276 3.209,277 9.701,278 3.968,279 2.214,280 1.044,281 0.825,282 0.825,283 0.825,284 3.613,287 1,288 1,289 1,290 256,291 3.082,294 36.908,295 44.416,298 68.757,302 1.068,303 7.447,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 38,315 127,316 4.641,317 3.333,318 6.758,319 4.188,320 3.206,321 4.594,322 0.86,323 11.106,324 3.15,325 3.816,326 2.799,327 5.619,328 3.426,329 2.469,330 3.273,331 0.8,332 7.382,333 2.363,334 3.412,335 2.568,336 5.19,337 3.131,338 2.213,339 2.739,341 6.263,342 2.031,343 3.206,344 2.235,345 4.874,346 2.955,347 2,348 2.368,350 5.349,351 1.898,352 3.095,353 1.949,354 4.627,355 2.7,356 1.731,357 2.182,359 4.954,360 1.673,361 2.335,362 1.205,363 3.733,364 2.037,365 1.047,366 1.29,368 2.588,369 1.036,370 1.84,371 1.11,372 3.062,373 1.553,374 0.645,375 0.747,377 1.209,378 0.579,379 1.478,380 0.47,381 2.792,382 1.339,383 0.358,384 0.387,386 0.619,387 0.35,388 1.459,389 0.432,390 2.673,391 1.185,392 0.271,393 0.32,395 0.439,396 0.247,397 0.769,398 -0.202,399 2.341,400 0.442,401 -0.505,402 -0.589,404 -1.037,405 -0.474,406 0.624,407 -0.6,408 2.129,409 0.163,410 -0.828,411 -1,413 -2,414 -0.819,415 0.257,416 -0.606,417 1.889,418 -0.052,419 -1,420 -1.116,422 -2.47,423 -0.9,425 -0.807,426 1.622,427 -0.1,428 -1,429 -1.238,431 -2.568,432 -0.934,433 -0.163,434 -1.102,435 1.291,436 -0.381,437 -1.345,438 -1.512,440 -3.628,441 -1.292,442 -0.31,443 -1.245,444 1,445 -0.699,446 -1.581,447 -1.869,449 -4.107,450 -1.399,451 8.633,452 0.48,453 0.435,454 0.024,455 19.75,456 1.097,457 8.5,458 0.472,459 11.25,460 0.625,461 15.356,462 0.853,463 20.767,464 0.519,465 12.402,466 0.689,467 3.97,468 0.221,469 4.682,470 0.26,471 0.232,473 0.336,479 0.984,480 1.526,481 0.997,482 1.297,483 1.027,484 1.166,485 1.487,486 0.886,487 0.937,488 0.762,489 0.986,490 0.781,491 1.046,492 1.196,493 1.099,494 1.152,495 1.005,496 1.132,497 0.809,498 1.075,499 1.034,500 1.086,501 0.943,502 1.078,503 0.49,504 1.038,505 0.89,506 1.074,507 0.641,508 1.032,509 1.085,510 1.191,511 1.072,512 1.128,513 1.021,514 1.104,515 1.468,516 1.046,517 1.394,518 1.15,519 1.476,520 1.241,521 0.891,522 0.906,523 0.923,524 0.983,525 0.982,526 0.97,527 4,529 2,530 1.451,531 0.938,532 0.702,533 0.487,534 0.16,535 0.09,537 2344,538 4738,539 1.963,540 55,541 3,542 14,545 1,546 2,547 2,550 1.593,551 1.8,552 2.85,553 -0.334,555 1,557 1,559 54.166,560 1.354,561 3.108,562 4.278,563 4.496,564 4.496,565 4.496,566 2.261,567 3.948,568 4.135,569 2.959,570 452.692,571 7.055,572 4253.98,573 1,574 1,576 1,577 212.877,578 1.53,579 4.076,580 0.211,582 0.077,583 0.056,584 0.041,585 0.033,586 0.026,587 0.015,588 0.015,590 0.473,591 0.83,592 1,593 1.608,594 75.247,595 0.027,596 -0.232,597 0.061,598 -0.111,599 -0.013,600 -0.034,601 -0.15,602 0.246,603 0.118,604 0.258,605 0.071,606 0.224,607 -0.094,608 -0.064,609 -0.09,610 -0.068,611 -0.05,612 -0.077,613 -0.048,614 -0.044,615 -0.069,616 -0.068,617 -0.096,618 -0.068,619 0.217,620 -0.063,621 0.057,622 -0.073,623 0.141,624 -0.033,625 -0.06,626 -0.189,627 -0.086,628 -0.14,629 -0.039,630 -0.121,631 -0.162,632 -0.049,633 -0.385,634 -0.231,635 -0.287,636 -0.314,637 0.016,638 -0.116,639 -0.002,640 -0.081,641 0.036,642 -0.05,643 0.741,644 1.821,645 0.5,646 12.667,647 0.984,648 1.134,649 2.37,650 5.619,651 0.627,652 2.996,653 3.296,654 3.555,655 3.829,656 4.06,657 4.143,658 4.159,659 4.143,660 3.807,661 3.401,662 4.442,663 0.576,664 246.39,665 2.996,666 4.511,667 5.352,668 6.232,669 7.109,670 8.003,671 8.893,672 9.792,673 10.689,674 11.59,675 5,678 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 40,716 10,717 1,718 19,720 41,721 15,722 8,723 3,724 3,730 2,731 3,736 1,743 2,745 8,746 7,761 1,764 22,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,815 1,819 1,823 4,827 18,833 3,835 1,838 1,847 2.5,852 1,854 10,855 8.367,856 4.167,857 2.465,858 2.11,859 1.34,860 0.949,861 4.173,862 8.317,863 3.219,864 3.834,865 4.473,866 5.125,867 5.67,868 6.01,869 6.348,870 6.655,871 6.36,872 6.083,873 0.8,874 26,875 6.641,877 2.618,878 7.435,879 13.146,881 10.349,883 1.935,884 34.833,885 0.003,888 247.193,889 88.007,890 19.91,892 11,895 88.007,896 258.193,897 19.91,898 36.501,899 7.175,900 28.429,902 41.912,903 4.901,904 247.193,906 247.193,907 107.917,908 11,911 223.651,912 34.542,915 35.91,916 72.007,919 247.193,920 30.91,921 88.007,924 247.193,925 23.078,926 68.054,927 16.786,928 11,929 247.193,930 30.91,931 88.007,933 0.567,934 0.329,935 0.18,936 0.111,937 12,938 6,939 0.122,940 5,941 1,942 1.222,943 2.94,944 125.358,945 0.222,946 9,947 73.059,951 13.28,952 5.656,953 2.828,954 2.509,955 14.124,956 6.247,958 3.515,961 3.704,963 16.786,964 366.11,965 24,975 39.367,976 45.358,977 0.254,978 0.584,979 0.804,980 0.845,981 0.845,982 0.845,983 4.437,984 0.358,985 5.342,986 1.209,987 3.97,988 4.516,989 1.235,990 6.163,991 3.891,992 5.648,993 0.271,994 6.909,995 0.619,996 3.611,997 4.477,998 0.325,999 7.125,1000 3.496,1001 6.968,1002 -0.505,1003 8.576,1004 0.439,1005 5.565,1006 6.814,1007 0.938,1008 10.221,1009 5.432,1010 8.331,1011 -0.828,1012 10.302,1013 -1.037,1014 6.019,1015 7.637,1016 0.268,1017 12.042,1018 5.864,1019 9.732,1020 -1,1021 12.068,1022 -2,1023 7.468,1024 9.479,1025 0.732,1026 14.682,1027 7.304,1028 11.159,1029 -1,1030 13.863,1031 -2.47,1032 8.306,1033 10.697,1034 0.188,1035 16.864,1036 8.13,1037 12.609,1038 -1.345,1039 15.68,1040 -2.568,1041 9.566,1042 12.346,1043 0.57,1044 19.352,1045 9.381,1046 3.206,1047 -1.581,1048 17.515,1049 -3.628,1050 10.585,1051 13.741,1052 0.125,1053 21.675,1054 10.39,1055 2.469,1056 11.106,1057 19.365,1058 -4.107,1059 11.777,1060 15.314,1061 0.438,1062 24.111,1063 11.571,1064 2.213,1065 7.382,1066 21.226,1067 4.594,1068 12.877,1069 16.785,1070 0.082,1071 26.487,1072 12.659,1073 2,1074 6.263,1075 23.097,1076 3.273,1077 14.046,1078 18.328,1079 0.334,1080 28.904,1081 13.816,1082 1.731,1083 5.349,1084 24.975,1085 2.739,1086 15.182,1087 19.83,1088 0.054,1089 31.3,1090 14.938,1091 1.047,1092 4.954,1093 26.86,1094 2.368,1095 16.345,1096 21.361,1097 0.252,1098 33.711,1099 16.086,1100 0.645,1101 2.588,1102 28.75,1103 2.182,1104 17.497,1105 22.876,1106 0.035,1107 36.114,1108 17.223,1109 2496,1110 3626,1111 12.137,1112 25.08,1113 27.827,1114 28.148,1115 29.522,1116 27.88,1117 27.881,1118 35.805,1119 3.32,1120 79.818,1121 26.654,1122 5.479,1123 5.333,1124 6.306,1125 5.19,1126 5.206,1127 7.594,1128 1.72,1129 18.091,1130 5.15,1131 10.236,1132 1.465,1133 1.481,1134 1.554,1135 1.467,1136 1.467,1137 1.884,1138 0.175,1139 4.201,1140 1.403,1141 4.146,1142 4.177,1143 4.107,1144 4.062,1145 4.984,1146 4.069,1147 3.663,1148 3.742,1149 3.537,1150 3.501,1151 4.615,1152 3.5,1153 3.558,1154 3.617,1155 3.427,1156 3.368,1157 4.316,1158 3.369,1159 3.312,1160 3.388,1161 3.108,1162 3.105,1163 4.108,1164 3.093,1165 3.193,1166 3.278,1167 2.997,1168 2.972,1169 3.85,1170 2.972,1171 3.01,1172 3.114,1173 2.776,1174 2.779,1175 3.765,1176 2.76,1177 2.874,1178 3.009,1179 2.666,1180 2.714,1181 3.501,1182 2.694,1183 2.848,1184 2.92,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.244,1190 0.175,1191 0.356,1192 0.22,1193 0.169,1194 4.641,1195 0.242,1196 3.333,1197 0.045,1198 6.758,1199 0.585,1200 4.188,1201 0.166,1202 3.206,1203 4.594,1204 0.86,1205 11.106,1206 3.15,1207 1.936,1208 1.918,1209 2.025,1210 2.025,1211 1.273,1212 2.024,1213 1.745,1214 1.69,1215 1.936,1216 1.929,1217 1.096,1218 1.936,1219 1.56,1220 1.474,1221 1.839,1222 1.799,1223 1.019,1224 1.816,1225 1.281,1226 1.201,1227 1.612,1228 1.541,1229 0.742,1230 1.556,1231 1.22,1232 1.148,1233 1.571,1234 1.501,1235 0.578,1236 1.538,1237 1.012,1238 0.913,1239 1.417,1240 1.286,1241 0.469,1242 1.314,1243 0.934,1244 0.804,1245 1.327,1246 1.239,1247 0.441,1248 1.308,1249 0.866,1250 0.799,1251 1.119,1252 1.044,1253 0.23,1254 1.077,1255 3.664,1257 4.963,1258 2.398,1259 6.46,1260 4.844,1261 8.053,1262 7.034,1263 9.703,1265 8.136,1271 3.181,1273 5.321,1276 2.221,1280 23.026,1281 54.166,1282 124.309,1283 171.103,1284 179.858,1285 179.858,1286 179.858,1287 21.831,1288 6.207,1289 28.26,1290 28.26,1291 11,1292 12.113,1293 3.459,1294 2.585,1295 30.748,1296 46,1297 47,1298 0.341,1299 145.744,1300 241.77,1301 347.375,1302 3053,1304 13.121,1305 0.729,1306 0.65,1307 13.121,1308 11.709,1309 8.651,1310 0.455,1311 0.341,1312 6.376,1313 8.312,1314 6.047,1315 5.143,1316 8.651,1317 6.475,1318 7.55,1319 0.29,1320 0.188,1321 7.55,1322 4.9,1323 6.097,1324 0.179,1325 0.099,1326 6.097,1327 3.364,1328 4.905,1329 0.109,1330 0.052,1331 4.905,1332 2.332,1333 4.097,1334 0.072,1335 0.029,1336 4.097,1337 1.664,1338 0.507,1339 54.213,1340 0.287,1341 17.753,1342 1.019,1343 90,1344 217.714,1345 96.348,1346 211.381,1347 294.13,1348 200,1349 105,1350 217.207,1351 111.821,1352 226.281,1353 326.43,1354 209,1355 5.854} {0 CHEMBL268800,1 1.437,2 6.2,3 1.68,4 2.821,5 61.677,6 6.59,7 0.625,8 3.516,9 3.655,10 2.973,11 3.018,12 4.569,13 2.982,14 4.03,15 4.226,16 3.284,17 3.387,18 4.971,19 3.325,20 4.173,21 4.384,22 3.307,23 3.497,24 5.087,25 3.409,26 4.257,27 4.483,28 3.185,29 3.517,30 5.104,31 3.379,32 4.275,33 4.546,34 3.026,35 3.373,36 5.126,37 3.201,38 4.183,39 4.487,40 2.611,41 3.104,42 4.993,43 2.903,44 3.839,45 4.151,46 2.097,47 2.659,48 4.648,49 2.437,50 3.385,51 3.724,52 1.301,53 2.202,54 4.052,55 1.896,56 0.042,57 0.442,58 7.37,59 2.807,60 7.585,61 4.007,62 0.111,63 0.67,64 12.748,65 4.636,66 13.52,67 6.656,68 0.129,69 0.767,70 14.716,71 5.287,72 15.306,73 7.736,74 0.102,75 0.807,76 15.898,77 6.015,78 13.315,79 8.813,80 0.176,81 0.752,82 16.478,83 5.877,84 19.696,85 8.79,86 0.181,87 0.623,88 15.45,89 4.619,90 23.521,91 7.22,92 0.222,93 0.399,94 11.163,95 3.142,96 21.215,97 4.847,98 0.08,99 0.247,100 6.826,101 2.179,102 10.697,103 3.375,104 15,105 22,106 0.276,107 0.657,108 0.826,109 0.855,110 0.855,111 0.855,112 2.797,113 0.959,114 -2.81,115 -2.82,116 -2.73,119 38.7,120 1,121 1,124 1,125 1,140 3,141 2,142 1,150 2,161 1,162 1,163 1,169 4,172 2,176 5,178 5,180 1,182 2,186 4,189 6,191 1,193 1,197 1,199 4,201 1,203 1,206 1,207 1,208 2,210 1,211 2,213 2,215 1,220 1,224 1,228 1,229 1,231 1,235 1,259 209,260 10.24,261 10.24,262 10.24,263 10.24,264 10.24,265 9.058,266 8.558,267 6.069,268 10.498,269 7.792,270 7.792,271 7.792,272 7.792,273 7.792,274 5.916,275 6.731,276 2.702,277 8.11,278 3.517,279 1.532,280 0.654,281 0.5,282 0.5,283 0.5,284 3.441,288 1,289 1,290 189,291 2.345,294 28.462,295 33.771,298 52.587,302 0.907,303 8.719,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 32,315 93,316 4.632,317 3.308,318 6.729,319 4.173,320 3.19,321 4.589,322 0.86,323 10.963,324 3.135,325 3.796,326 2.782,327 5.542,328 3.395,329 2.441,330 3.254,332 7.154,333 2.329,334 3.387,335 2.201,336 5.183,337 2.966,338 2.005,339 2.725,341 6.189,342 1.916,343 3.074,344 1.909,345 4.742,346 2.645,347 1.681,348 2.304,350 4.857,351 1.618,352 2.45,353 1.382,354 3.716,355 2.235,356 1.256,357 1.442,359 2.7,360 1.228,361 2.004,362 1.099,363 3.112,364 1.658,365 0.714,366 0.894,368 1.396,369 0.669,370 1.611,371 0.813,372 2.814,373 1.347,374 0.459,375 0.512,377 0.72,378 0.404,379 1.036,380 0.183,381 2.386,382 0.771,383 -0.167,384 -0.195,386 -0.3,387 -0.156,388 0.682,389 -0.456,390 2.241,391 0.286,392 -0.69,393 -0.82,395 -1.37,396 -0.671,397 0.491,398 -0.501,399 2,400 0.096,401 -0.846,402 -1.063,404 -2.008,405 -0.786,406 0.232,407 -0.924,408 1.572,409 -0.014,410 -1,411 -1.333,413 -2.79,414 -0.988,415 -0.296,416 -1.188,417 1.422,418 -0.648,419 -1.549,420 -1.782,422 -3.928,423 -1.366,424 -0.326,425 -1.464,426 1.102,427 -0.72,428 -1.682,429 -2.082,431 -4.685,432 -1.629,433 -0.5,434 -1.764,435 0.745,436 -0.902,437 -1.882,438 -2.599,440 -5.661,441 -1.835,442 -0.554,443 -1.899,444 0.453,445 -0.989,446 -1.931,447 -2.845,449 -6.337,450 -1.867,451 7.133,452 0.476,453 0.328,454 0.022,455 17.75,456 1.183,457 8.5,458 0.567,459 9.25,460 0.617,461 10.823,462 0.722,463 16.867,464 0.544,465 10.386,466 0.692,467 3.669,468 0.245,469 3.588,470 0.239,471 0.196,473 0.35,479 1.067,480 1.211,481 0.949,482 1.087,483 1.244,484 1.004,485 1.231,486 1.026,487 0.874,488 0.892,489 0.962,490 0.853,491 1.099,492 1.014,493 1.013,494 0.977,495 0.934,496 0.978,497 0.793,498 1.263,499 1.141,500 1.297,501 0.775,502 1.266,503 0.531,504 1.151,505 0.976,506 1.213,507 0.682,508 1.161,509 1.258,510 0.989,511 1.119,512 1.007,513 1.41,514 1.037,515 1.618,516 0.739,517 1.163,518 0.804,519 1.211,520 0.923,521 0.987,522 0.913,523 1.046,524 0.975,525 1.091,526 1.023,527 3,529 1.778,530 1.451,531 0.813,532 0.504,533 0.198,534 0.059,537 1393,538 3297,539 1.993,540 51.6,542 8,545 3,546 3,547 2,550 1.537,551 1.837,552 2.67,553 1.247,557 1,559 44.561,560 1.437,561 3.422,562 4.3,563 4.454,564 4.454,565 4.454,566 2.149,567 3.323,568 3.873,569 2.709,570 284.419,571 6.522,572 2295.89,574 1,577 153.58,578 1.506,579 3.82,580 0.188,582 0.081,583 0.066,584 0.045,585 0.036,586 0.025,587 0.015,590 0.455,591 1,592 1,593 1.373,594 57.389,595 -0.088,596 0.045,597 0.026,598 0.032,599 -0.191,600 0.049,601 -0.102,602 0.065,603 0.112,604 0.165,605 -0.024,606 0.163,607 -0.135,608 0.084,609 -0.045,610 0.058,611 -0.09,612 0.027,613 -0.067,614 -0.217,615 -0.209,616 -0.256,617 -0.096,618 -0.25,619 0.22,620 -0.203,621 -0.035,622 -0.239,623 0.165,624 -0.183,625 -0.13,626 -0.106,627 -0.134,628 -0.125,629 -0.165,630 -0.127,631 -0.075,632 0.073,633 -0.137,634 0.038,635 0.036,636 -0.05,637 -0.07,638 -0.156,639 -0.093,640 -0.098,641 -0.066,642 -0.105,643 0.828,644 1.72,645 0.6,646 8.587,647 0.991,648 1.133,649 1.579,650 2.493,651 0.639,652 2.833,653 3.135,654 3.434,655 3.714,656 3.892,657 3.871,658 3.871,659 3.761,660 3.219,661 2.708,662 3.764,663 0.595,664 204.3,665 2.833,666 4.344,667 5.198,668 6.084,669 6.969,670 7.864,671 8.758,672 9.656,673 10.552,674 11.451,675 6.5,676 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 31,716 10,717 1,718 16,720 32,721 12,722 8,723 3,724 3,730 2,731 3,736 2,743 1,745 8,746 4,761 1,764 16,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 2,827 15,828 1,833 2,835 1,847 3.2,852 1,854 8.167,855 6,856 3.5,857 1.757,858 2.106,859 1.359,860 0.981,861 2.866,862 7.973,863 3.091,864 3.744,865 4.414,866 5.076,867 5.595,868 5.884,869 6.216,870 6.474,871 5.993,872 5.558,873 1,874 22,875 5.509,876 -0.001,877 2.216,878 7.589,879 10.708,881 8.518,883 2.089,884 31.333,885 0.006,888 153.024,889 68.68,890 49.683,892 11,895 68.68,896 164.024,897 49.683,898 19.708,899 37.537,900 28.429,902 38.787,903 4.901,904 153.024,906 153.024,907 118.363,908 11,911 129.482,912 34.542,915 63.148,916 55.215,919 153.024,920 60.683,921 68.68,924 153.024,925 20.543,926 48.137,927 16.786,928 43.897,929 153.024,930 60.683,931 68.68,933 0.564,934 0.349,935 0.202,936 0.117,937 11,938 5,939 0.094,940 3,941 1,942 1.222,943 2.663,944 98.009,945 0.222,946 9,947 58.603,951 10.365,952 4.147,953 1.815,954 2.369,955 43.897,956 6.065,958 3.352,961 3.384,963 49.683,964 282.387,965 21,975 30.716,976 35.112,977 0.29,978 0.691,979 0.868,980 0.899,981 0.899,982 0.899,983 4.297,984 -0.167,985 5.187,986 0.72,987 3.807,988 4.425,989 0.908,990 6.028,991 3.74,992 5.524,993 -0.69,994 6.765,995 -0.3,996 3.434,997 4.407,999 7.002,1000 3.353,1001 6.857,1002 -0.846,1003 8.446,1004 -1.37,1005 5.416,1006 6.769,1007 0.739,1008 10.121,1009 5.305,1010 8.236,1011 -1,1012 10.186,1013 -2.008,1014 5.889,1015 7.607,1017 11.945,1018 5.765,1019 9.65,1020 -1.549,1021 11.964,1022 -2.79,1023 7.351,1024 9.456,1025 0.593,1026 14.586,1027 7.209,1028 11.09,1029 -1.682,1030 13.769,1031 -3.928,1032 8.211,1033 10.68,1035 16.76,1036 8.058,1037 12.549,1038 -1.882,1039 15.594,1040 -4.685,1041 9.475,1042 12.331,1043 0.469,1044 19.241,1045 9.308,1046 3.19,1047 -1.931,1048 17.435,1049 -5.661,1050 10.508,1051 13.727,1053 21.553,1054 10.328,1055 2.441,1056 10.963,1057 19.288,1058 -6.337,1059 11.7,1060 15.3,1061 0.366,1062 23.978,1063 11.506,1064 2.005,1065 7.154,1066 21.151,1067 4.589,1068 12.806,1069 16.77,1071 26.342,1072 12.598,1073 1.681,1074 6.189,1075 23.023,1076 3.254,1077 13.974,1078 18.313,1079 0.283,1080 28.747,1081 13.751,1082 1.256,1083 4.857,1084 24.901,1085 2.725,1086 15.11,1087 19.814,1089 31.13,1090 14.872,1091 0.714,1092 2.7,1093 26.785,1094 2.304,1095 16.27,1096 21.344,1097 0.217,1098 33.529,1099 16.017,1100 0.459,1101 1.396,1102 28.673,1103 1.442,1104 17.419,1105 22.859,1107 35.919,1108 17.15,1109 1499,1110 2355,1111 10.345,1112 19.796,1113 23.533,1114 23.941,1115 25.177,1116 23.451,1117 23.494,1118 31.439,1119 1.72,1120 67.959,1121 22.597,1122 5.35,1123 5.308,1124 6.487,1125 5.173,1126 5.19,1127 7.589,1128 1.72,1129 17.864,1130 5.135,1131 7.628,1132 1.471,1133 1.496,1134 1.574,1135 1.466,1136 1.468,1137 1.965,1138 0.108,1139 4.247,1140 1.412,1141 4.14,1142 4.171,1143 4.102,1144 4.057,1145 5.033,1146 4.064,1147 3.587,1148 3.642,1149 3.483,1150 3.451,1151 4.957,1152 3.45,1153 3.425,1154 3.508,1155 3.26,1156 3.193,1157 4.616,1158 3.196,1159 3.19,1160 3.272,1161 2.974,1162 2.937,1163 4.087,1164 2.934,1165 2.936,1166 3.025,1167 2.777,1168 2.783,1169 3.769,1170 2.769,1171 2.877,1172 2.98,1173 2.625,1174 2.668,1175 3.577,1176 2.645,1177 2.639,1178 2.769,1179 2.366,1180 2.317,1181 3.422,1182 2.311,1183 2.188,1184 2.296,1185 1.966,1186 1.903,1187 3.006,1188 1.904,1189 0.289,1190 0.207,1191 0.421,1192 0.261,1193 0.199,1194 4.632,1195 0.287,1196 3.308,1197 0.054,1198 6.729,1199 0.685,1200 4.173,1201 0.196,1202 3.19,1203 4.589,1204 0.86,1205 10.963,1206 3.135,1207 1.935,1208 1.917,1209 2.021,1210 2.023,1211 1.235,1212 2.022,1213 1.699,1214 1.645,1215 1.885,1216 1.88,1217 1.037,1218 1.887,1219 1.385,1220 1.3,1221 1.681,1222 1.658,1223 0.785,1224 1.668,1225 1.203,1226 1.132,1227 1.569,1228 1.512,1229 0.577,1230 1.531,1231 0.947,1232 0.872,1233 1.266,1234 1.193,1235 0.33,1236 1.231,1237 0.878,1238 0.789,1239 1.146,1240 1.144,1241 0.212,1242 1.16,1243 0.667,1244 0.549,1245 1.054,1246 0.957,1247 0.093,1248 0.999,1249 0.381,1250 0.249,1251 0.778,1252 0.692,1254 0.728,1255 3.497,1257 4.796,1258 2.398,1259 6.308,1260 4.844,1261 7.92,1262 7.018,1263 9.587,1265 3.765,1269 5.605,1271 1.573,1273 5.22,1280 18.445,1281 44.561,1282 106.096,1283 133.315,1284 138.07,1285 138.07,1286 138.07,1287 16.378,1288 5.866,1289 51.04,1290 51.04,1291 11,1292 11.974,1293 3.459,1294 2.585,1295 23.423,1296 33,1297 35,1298 0.378,1299 116.967,1300 189.87,1301 277.159,1302 1931,1304 10.836,1305 0.722,1306 0.609,1307 10.836,1308 9.132,1309 7.258,1310 0.454,1311 0.32,1312 5.04,1313 6.987,1314 4.837,1315 4.072,1316 7.258,1317 5.112,1318 6.177,1319 0.281,1320 0.167,1321 6.177,1322 3.679,1323 5.311,1324 0.177,1325 0.091,1326 5.311,1327 2.721,1328 4.453,1329 0.111,1330 0.049,1331 4.453,1332 1.955,1333 3.599,1334 0.075,1335 0.027,1336 3.599,1337 1.282,1338 0.549,1339 45.422,1340 0.311,1341 14.812,1342 1.165,1343 76,1344 193.381,1345 81.626,1346 188.164,1347 262.95,1348 178,1349 90,1350 196.222,1351 95.322,1352 202.097,1353 293.51,1354 189,1355 5.975} {0 CHEMBL269538,1 1.481,2 6.313,3 2.439,4 5.948,5 62.37,6 7.581,7 0.833,8 3.458,9 3.567,10 3.061,11 3.037,12 4.572,13 3.023,14 3.954,15 4.112,16 3.417,17 3.409,18 4.999,19 3.388,20 4.066,21 4.227,22 3.445,23 3.504,24 5.116,25 3.461,26 4.131,27 4.322,28 3.256,29 3.475,30 5.107,31 3.376,32 4.096,33 4.36,34 2.892,35 3.25,36 4.917,37 3.093,38 3.765,39 4.036,40 2.571,41 2.879,42 4.615,43 2.737,44 3.481,45 3.76,46 2.161,47 2.445,48 4.317,49 2.283,50 2.913,51 3.134,52 1.653,53 2.004,54 3.807,55 1.881,56 0.013,57 0.4,58 5.451,59 2.465,60 5.222,61 3.117,62 0.089,63 0.636,64 10.275,65 4.081,66 11.425,67 5.212,68 0.12,69 0.735,70 11.305,71 4.441,72 12.631,73 5.733,74 0.138,75 0.758,76 12.523,77 4.973,78 14.057,79 6.705,80 0.093,81 0.67,82 13.807,83 5.388,84 14.779,85 7.58,86 0.084,87 0.49,88 9.981,89 3.535,90 12.388,91 5.03,92 0.119,93 0.327,94 7.958,95 2.829,96 11.667,97 3.937,98 0.085,99 0.18,100 4.314,101 1.457,102 7.621,103 1.771,104 6,105 26,106 0.283,107 0.652,108 0.786,109 0.854,110 0.854,111 0.854,112 2.856,113 0.867,114 -2.52,115 -2.55,116 -2.49,119 46.4,120 1,124 1,140 4,141 2,142 1,143 1,144 1,150 2,169 4,172 4,176 3,178 5,182 2,184 1,186 3,189 5,193 2,195 1,197 1,199 4,203 3,211 2,215 2,222 1,225 1,226 1,259 188,260 11.025,261 11.025,262 11.025,263 11.025,264 11.025,265 9.318,266 6.739,267 6.343,268 11.324,269 8.82,270 8.82,271 8.82,272 8.82,273 8.82,274 6.189,275 6.122,276 2.921,277 9.203,278 3.326,279 1.397,280 0.697,281 0.34,282 0.34,283 0.34,284 3.532,288 1,289 1,290 220,291 2,294 19.432,295 56.361,298 79.753,302 1.102,303 8.006,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 34,315 101,316 4.746,317 3.286,318 6.847,319 4.237,320 3.257,321 4.848,322 0.86,323 11.399,324 3.192,325 4.04,326 2.834,327 5.938,328 3.574,329 2.61,330 3.715,332 8.223,333 2.516,334 3.605,335 2.475,336 5.342,337 3.175,338 2.226,339 3.024,341 6.71,342 2.106,343 3.285,344 1.866,345 4.968,346 2.775,347 1.811,348 2.652,350 5.447,351 1.74,352 2.898,353 1.512,354 4.357,355 2.374,356 1.43,357 2.084,359 3.916,360 1.347,361 2.768,362 1.32,363 3.839,364 2.278,365 1.295,366 1.891,368 3.087,369 1.271,370 2.018,371 1.042,372 3.203,373 1.554,374 0.62,375 0.828,377 1.399,378 0.574,379 1.599,380 0.587,381 2.831,382 1.273,383 0.384,384 0.461,386 0.64,387 0.34,388 1.084,389 -0.078,390 2.407,391 0.674,392 -0.287,393 -0.378,395 -0.636,396 -0.275,397 0.804,398 -0.392,399 2.3,400 0.3,401 -0.666,402 -0.899,404 -1.649,405 -0.633,406 0.653,407 -0.713,408 2.245,409 0.204,410 -0.755,411 -1.085,413 -2.02,414 -0.721,415 0.316,416 -1.1,417 2,418 -0.191,419 -1.173,420 -1.71,422 -3.398,423 -1.151,424 -0.052,425 -1.154,426 1.58,427 -0.396,428 -1.355,429 -1.772,431 -3.723,432 -1.283,433 -0.296,434 -1.307,435 1.263,436 -0.692,437 -1.581,438 -1.999,440 -4.21,441 -1.412,442 -0.415,443 -1.873,444 1.189,445 -0.911,446 -1.891,447 -2.807,449 -5.606,450 -1.79,451 7.633,452 0.477,453 0.38,454 0.024,455 23,456 1.438,457 12.5,458 0.781,459 10.5,460 0.656,461 9.502,462 0.594,463 16.367,464 0.585,465 13.317,466 0.832,467 4.676,468 0.292,469 3.116,470 0.195,471 0.131,473 0.393,479 0.909,480 1.182,481 0.752,482 0.994,483 0.9,484 0.872,485 1.268,486 1.008,487 0.757,488 0.771,489 0.981,490 0.714,491 1.15,492 1.012,493 1.011,494 0.946,495 1.057,496 0.952,497 0.868,498 1.159,499 1.229,500 1.216,501 1.036,502 1.255,503 0.705,504 1.028,505 0.983,506 1.103,507 0.782,508 1.087,509 0.891,510 0.97,511 1.038,512 1.031,513 1.029,514 1.037,515 1.031,516 0.861,517 0.967,518 1.039,519 0.839,520 1.015,521 2.57,522 0.888,523 1.499,524 0.919,525 2.101,526 1.087,527 3,529 2,530 1.514,531 0.902,532 0.403,533 0.258,534 0.072,535 0.031,537 1856,538 4685,539 2.135,540 42.9,542 7,544 1,545 1,546 3,550 1.555,551 2,552 2.696,553 -0.291,555 1,557 1,559 41.481,560 1.481,561 3.41,562 4.111,563 4.468,564 4.468,565 4.468,566 2.203,567 3.5,568 3.971,569 2.749,570 329.907,571 6.704,572 2721.73,574 1,576 1,577 134.606,578 1.406,579 3.933,580 0.167,582 0.077,583 0.058,584 0.045,585 0.031,586 0.029,587 0.014,588 0.01,590 0.431,591 1,592 1,593 0.875,594 62.516,595 -0.037,596 -0.105,597 0.062,598 -0.036,599 -0.087,600 0.018,601 -0.123,602 0.018,603 0.152,604 0.188,605 0.01,606 0.199,607 -0.125,608 0.062,609 -0.127,610 -0.015,611 -0.108,612 -0.063,613 -0.035,614 -0.138,615 -0.334,616 -0.274,617 -0.208,618 -0.331,619 0.03,620 -0.146,621 0.012,622 -0.109,623 0.067,624 -0.061,625 -0.035,626 -0.03,627 -0.021,628 -0.076,629 -0.045,630 -0.044,631 0.265,632 -0.032,633 0.13,634 -0.052,635 0.373,636 0.008,637 -0.539,638 -0.044,639 -0.405,640 0.05,641 -0.514,642 -0.146,643 0.801,644 1.713,645 0.813,646 8.344,647 0.998,648 1.117,649 1.29,650 1.665,651 0.688,652 2.944,653 3.296,654 3.638,655 3.951,656 4.205,657 4.304,658 4.419,659 4.489,660 4.248,661 4.06,662 3.832,663 0.657,664 212.27,665 2.944,666 4.489,667 5.371,668 6.275,669 7.179,670 8.092,671 9.003,672 9.919,673 10.834,674 11.752,675 7.1,683 1,685 1,687 4,688 5,689 1,690 1,693 2,695 15,712 1,714 28,716 15,717 1,718 18,720 30,721 13,722 11,723 3,724 3,730 3,731 6,736 1,745 11,746 2,761 1,764 12,765 2,766 1,767 3,773 2,777 0.333,778 1,786 1,788 1,792 1,793 2,796 2,819 1,823 2,827 16,835 1,847 3.6,852 1,854 8,855 5.783,856 3.528,857 1.589,858 3.25,859 1.499,860 1.039,861 2.027,862 9.765,863 3.277,864 4.012,865 4.758,866 5.488,867 6.135,868 6.597,869 7.094,870 7.552,871 7.654,872 7.861,873 1,874 26,875 5.865,877 2.465,878 7.563,879 11.342,881 9.314,883 2.063,884 33,885 0.004,888 129.482,889 84.095,890 33.571,892 11,895 84.095,896 140.482,897 33.571,898 19.708,900 37.905,901 28.557,902 49.979,903 4.288,904 117.711,906 129.482,907 117.666,908 11,911 129.482,912 11,915 37.415,916 63.466,917 16.786,919 129.482,920 44.571,921 84.095,924 129.482,925 17.434,926 66.661,927 16.786,928 27.785,929 129.482,930 44.571,931 84.095,933 0.584,934 0.361,935 0.201,936 0.114,937 15,938 6,939 0.033,940 1,941 2,942 1.308,943 2.822,944 116.448,945 0.308,946 13,947 62,951 9.519,952 3.407,953 1.372,954 4.614,955 27.785,956 9.94,957 4.283,958 3.378,961 1.886,963 16.786,964 258.148,965 25.5,975 27.949,976 31.282,977 0.308,978 0.709,979 0.855,980 0.929,981 0.929,982 0.929,983 4.497,984 0.384,985 5.371,986 1.399,987 3.97,988 4.696,989 0.908,990 6.236,991 3.898,992 5.755,993 -0.287,994 6.961,995 0.64,996 3.611,997 4.691,999 7.235,1000 3.526,1001 7.102,1002 -0.666,1003 8.653,1004 -0.636,1005 5.609,1006 7.119,1007 0.739,1008 10.375,1009 5.487,1010 8.495,1011 -0.755,1012 10.404,1013 -1.649,1014 6.089,1015 7.979,1017 12.222,1018 5.955,1019 9.921,1020 -1.173,1021 12.193,1022 -2.02,1023 7.566,1024 9.876,1025 0.593,1026 14.889,1027 7.407,1028 11.374,1029 -1.355,1030 14.009,1031 -3.398,1032 8.432,1033 11.137,1035 17.087,1036 8.261,1037 12.846,1038 -1.581,1039 15.845,1040 -3.723,1041 9.71,1042 12.829,1043 0.469,1044 19.597,1045 9.519,1046 3.257,1047 -1.891,1048 17.696,1049 -4.21,1050 10.752,1051 14.272,1053 21.936,1054 10.546,1055 2.61,1056 11.399,1057 19.56,1058 -5.606,1059 11.958,1060 15.887,1061 0.366,1062 24.394,1063 11.734,1064 2.226,1065 8.223,1066 21.434,1067 4.848,1068 13.075,1069 17.407,1071 26.79,1072 12.835,1073 1.811,1074 6.71,1075 23.316,1076 3.715,1077 14.258,1078 18.995,1079 0.283,1080 29.23,1081 14,1082 1.43,1083 5.447,1084 25.205,1085 3.024,1086 15.408,1087 20.548,1089 31.648,1090 15.133,1091 1.295,1092 3.916,1093 27.1,1094 2.652,1095 16.585,1096 22.128,1097 0.217,1098 34.083,1099 16.291,1100 0.62,1101 3.087,1102 28.999,1103 2.084,1104 17.75,1105 23.694,1107 36.51,1108 17.438,1109 1850,1110 3007,1111 12.137,1112 19.273,1113 27.254,1114 27.709,1115 28.544,1116 27.194,1117 27.267,1118 39.006,1119 1.72,1120 81.644,1121 26.171,1122 5.301,1123 5.286,1124 6.395,1125 5.274,1126 5.257,1127 7.848,1128 1.72,1129 18.704,1130 5.192,1131 6.501,1132 1.514,1133 1.539,1134 1.586,1135 1.511,1136 1.515,1137 2.167,1138 0.096,1139 4.536,1140 1.454,1141 4.211,1142 4.241,1143 4.183,1144 4.129,1145 5.09,1146 4.139,1147 3.699,1148 3.732,1149 3.639,1150 3.588,1151 4.765,1152 3.595,1153 3.298,1154 3.361,1155 3.172,1156 3.074,1157 4.445,1158 3.074,1159 3.193,1160 3.268,1161 3.054,1162 3.023,1163 4.056,1164 3.033,1165 3.079,1166 3.171,1167 2.864,1168 2.862,1169 3.868,1170 2.852,1171 2.821,1172 2.887,1173 2.662,1174 2.687,1175 3.627,1176 2.671,1177 2.459,1178 2.557,1179 2.245,1180 2.256,1181 3.293,1182 2.241,1183 2.216,1184 2.285,1185 2.094,1186 2.035,1187 3.038,1188 2.043,1189 0.264,1190 0.183,1191 0.38,1192 0.235,1193 0.181,1194 4.746,1195 0.269,1196 3.286,1197 0.048,1198 6.847,1199 0.633,1200 4.237,1201 0.177,1202 3.257,1203 4.848,1204 0.86,1205 11.399,1206 3.192,1207 1.971,1208 1.955,1209 2.042,1210 2.041,1211 1.203,1212 2.042,1213 1.845,1214 1.808,1215 1.942,1216 2.004,1217 1.034,1218 1.988,1219 1.261,1220 1.204,1221 1.584,1222 1.544,1223 0.62,1224 1.552,1225 1.157,1226 1.069,1227 1.524,1228 1.405,1229 0.564,1230 1.451,1231 1.092,1232 1.017,1233 1.315,1234 1.334,1235 0.342,1236 1.34,1237 0.804,1238 0.747,1239 1.004,1240 0.97,1241 0.113,1242 0.985,1243 0.671,1244 0.597,1245 0.954,1246 0.87,1247 0.047,1248 0.906,1249 0.24,1250 0.14,1251 0.587,1252 0.536,1254 0.558,1255 3.611,1257 4.949,1258 2.398,1259 6.503,1260 4.844,1261 8.154,1262 7.066,1263 9.854,1265 3.686,1273 5.213,1280 18.392,1281 41.481,1282 95.487,1283 115.096,1284 125.096,1285 125.096,1286 125.096,1287 14.255,1288 6.515,1289 37.91,1290 37.91,1291 17,1292 12.262,1293 4,1294 3.087,1295 21.713,1296 39,1297 38,1298 0.316,1299 113.311,1300 178.63,1301 268.239,1302 4686,1304 11.121,1305 0.695,1306 0.578,1307 11.121,1308 9.242,1309 7.792,1310 0.433,1311 0.289,1312 5.13,1313 7.501,1314 4.932,1315 4.124,1316 7.792,1317 5.204,1318 6.983,1319 0.269,1320 0.148,1321 6.983,1322 3.855,1323 6.33,1324 0.171,1325 0.079,1326 6.33,1327 2.917,1328 5.404,1329 0.106,1330 0.041,1331 5.404,1332 2.072,1333 4.493,1334 0.068,1335 0.021,1336 4.493,1337 1.415,1338 0.461,1339 48.73,1340 0.287,1341 15.656,1342 0.97,1343 88,1344 237.714,1345 94.653,1346 231.903,1347 329.36,1348 220,1349 107,1350 252.264,1351 113.849,1352 258.868,1353 379.21,1354 243,1355 5} {0 CHEMBL269964,1 1.585,2 5.429,3 2.669,4 7.124,5 59.226,6 8.065,7 0.4,8 3.361,9 3.499,10 2.995,11 2.905,12 4.428,13 2.872,14 3.872,15 4.07,16 3.379,17 3.284,18 4.914,19 3.223,20 4.065,21 4.278,22 3.493,23 3.413,24 5.062,25 3.333,26 4.063,27 4.266,28 3.475,29 3.356,30 5.151,31 3.25,32 4.032,33 4.291,34 2.813,35 3.168,36 4.927,37 2.966,38 3.752,39 4.083,40 2.263,41 2.715,42 4.448,43 2.442,44 3.306,45 3.666,46 1.806,47 2.231,48 3.929,49 1.916,50 2.476,51 2.762,52 0.746,53 1.508,54 3.232,55 1.161,56 0.022,57 0.395,58 5.098,59 2.094,60 4.878,61 2.943,62 0.138,63 0.604,64 10.305,65 3.706,66 12.45,67 5.196,68 0.126,69 0.678,70 14.495,71 4.362,72 15.679,73 6.175,74 0.217,75 0.629,76 16.417,77 4.213,78 22.672,79 5.969,80 0.207,81 0.542,82 18.58,83 4.664,84 22.509,85 6.494,86 0.128,87 0.373,88 12.159,89 3.815,90 14.684,91 5.663,92 0.084,93 0.195,94 9.552,95 2.665,96 10.591,97 3.815,98 0.062,99 0.064,100 6.171,101 1.243,102 7.11,103 1.605,104 11,105 21,106 0.32,107 0.707,108 0.838,109 0.875,110 0.875,111 0.875,112 2.736,113 0.982,114 -3.62,115 -3.59,116 -3.42,119 38.5,120 1,124 1,127 1,140 3,141 1,142 2,157 1,169 2,172 2,174 2,175 1,176 2,178 6,186 1,189 2,193 3,197 6,199 4,203 1,208 1,211 1,220 2,259 136,260 9.37,261 9.37,262 9.37,263 9.37,264 9.37,265 8.358,266 12.96,267 5.431,268 9.689,269 7.322,270 7.322,271 7.322,272 7.322,273 7.322,274 5.738,275 17.984,276 2.469,277 7.865,278 3.115,279 1.199,280 0.549,281 0.366,282 0.366,283 0.366,284 3.375,285 1,288 1,289 1,290 157,291 1.871,295 57.228,299 49.29,302 0.918,303 9.194,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 29.833,315 76,316 4.465,317 3.508,318 6.734,319 4.109,320 3.152,321 4.083,322 1.284,323 10.891,324 3.006,325 3.761,326 2.937,327 5.388,328 3.277,329 2.38,330 3.059,331 0.553,332 6.966,333 2.123,334 3.269,335 2.331,336 5.076,337 2.971,338 2.009,339 2.495,340 0.247,341 5.841,342 1.93,343 3.07,344 2.252,345 4.741,346 2.681,347 1.781,348 2.214,350 4.852,351 1.548,352 2.543,353 1.301,354 3.704,355 2.166,356 1.198,357 1.552,359 2.739,360 1.134,361 1.579,362 0.938,363 2.938,364 1.374,365 0.471,366 0.498,368 0.739,369 0.421,370 1.166,371 0.361,372 2.68,373 0.75,374 -0.196,375 -0.246,377 -0.478,378 -0.149,379 1,380 0.113,381 2.333,382 0.602,383 -0.233,384 -0.266,386 -0.536,387 -0.193,388 0.651,389 -0.309,390 2.199,391 0.293,392 -0.637,393 -0.74,395 -1.563,396 -0.58,397 0.024,398 -0.874,399 1.611,400 -0.195,401 -1.121,402 -1.264,404 -2.746,405 -1,406 -0.14,407 -1.1,408 1.384,409 -0.579,410 -1.408,411 -1.715,413 -3.517,414 -1.176,415 -0.384,416 -1.236,417 1.235,418 -0.686,419 -1.597,420 -2.003,422 -4.495,423 -1.513,424 -0.5,425 -1.469,426 1.047,427 -0.891,428 -1.801,429 -2.148,430 -0.405,431 -5.211,432 -1.676,433 -0.663,434 -1.612,435 0.478,436 -1,437 -2,438 -2.519,439 -0.647,440 -6.582,441 -1.874,442 -0.841,443 -2,444 0.452,445 -1.071,446 -2,447 -3,448 -1.032,449 -6.899,450 -2,451 6.914,452 0.494,453 0.366,454 0.026,455 17.25,456 1.232,457 8,458 0.571,459 9.25,460 0.661,461 9.849,462 0.703,463 15.286,464 0.588,465 9.734,466 0.695,467 3.454,468 0.247,469 3.266,470 0.233,471 0.248,473 0.362,479 0.87,480 1.417,481 0.61,482 0.929,483 0.836,484 0.896,485 0.701,486 0.903,487 0.609,488 0.749,489 0.638,490 0.785,491 1.171,492 1.136,493 0.871,494 0.846,495 1.104,496 0.855,497 1.281,498 1.239,499 1.232,500 1.191,501 1.108,502 1.17,503 1.482,504 0.965,505 1.549,506 1.275,507 1.495,508 1.299,509 0.302,510 0.874,511 0.569,512 0.975,513 0.498,514 1.008,515 0.594,516 0.53,517 0.797,518 0.723,519 0.672,520 0.727,521 1.984,522 0.649,523 2.855,524 1.757,525 2.489,526 1.481,527 3,529 1.556,530 1.563,531 0.978,532 0.326,533 0.101,534 0.028,537 1129,538 3327,539 1.993,540 46.2,542 7,545 2,547 3,550 1.516,551 1.826,552 2.486,553 0.547,557 1,559 41.218,560 1.585,561 3.502,562 4.152,563 4.335,564 4.335,565 4.335,566 1.959,567 2.985,568 3.781,569 2.524,570 229.672,571 6.333,572 1760.63,574 1,577 122.211,578 1.531,579 3.714,580 0.2,582 0.074,583 0.071,584 0.054,585 0.036,586 0.025,587 0.014,590 0.475,591 1,592 1,593 1.02,594 51.295,595 -0.103,596 -0.174,597 0.007,598 -0.013,599 -0.165,600 0.014,601 0.175,602 0.236,603 0.111,604 0.161,605 0.158,606 0.133,607 -0.161,608 -0.067,609 0.025,610 0.087,611 -0.133,612 0.071,613 -0.059,614 -0.184,615 -0.129,616 -0.24,617 0.051,618 -0.258,619 -0.363,620 -0.057,621 -0.403,622 -0.297,623 -0.375,624 -0.343,625 0.281,626 -0.113,627 0.174,628 -0.028,629 0.177,630 0.01,631 0.162,632 0.099,633 0.267,634 0.306,635 0.239,636 0.348,637 -0.411,638 -0.108,639 -0.723,640 -0.514,641 -0.633,642 -0.362,643 1.234,644 1.987,645 0.714,646 6.531,647 1.002,648 1.135,649 2.392,650 5.721,651 0.68,652 2.773,653 3.091,654 3.367,655 3.638,656 3.784,657 3.761,658 3.638,659 3.466,660 3.296,661 2.708,662 3.4,663 0.636,664 209.7,665 2.773,666 4.29,667 5.142,668 6.028,669 6.897,670 7.79,671 8.663,672 9.558,673 10.431,674 11.327,675 11.5,677 1,680 1,684 1,688 3,693 3,695 6,707 1,713 1,714 26,716 7,717 1,718 15,720 27,721 10,722 6,723 3,724 3,730 2,731 3,732 1,734 1,736 1,740 1,743 1,745 7,746 3,750 1,758 1,759 1,761 1,764 12,765 3,766 2,767 4,768 1,773 3,777 0.5,793 2,797 1,814 1,819 1,823 2,824 1,827 14,834 2,837 1,846 1,854 7.667,855 5.176,856 3.167,857 1.52,858 1.61,859 1.28,860 0.966,861 2.545,862 7.356,863 2.996,864 3.57,865 4.107,866 4.634,867 5.103,868 5.239,869 5.37,870 5.576,871 5.665,872 5.169,873 0.75,874 22,875 5.13,876 0.002,877 2.096,878 7.651,879 9.835,880 0.001,881 7.825,882 -0.001,883 2.151,884 30.111,885 0.006,888 117.711,889 56.992,890 52.807,891 39.149,895 56.992,896 156.86,897 52.807,898 17.222,900 46.439,901 18.011,902 26.228,903 1.899,904 117.711,905 39.149,906 117.711,907 109.799,909 39.149,911 82.398,912 35.313,915 43.621,916 48.167,917 57.159,919 117.711,920 52.807,921 96.141,924 117.711,925 11.342,926 45.65,927 36.022,928 55.934,929 117.711,930 52.807,931 96.141,933 0.579,934 0.355,935 0.2,936 0.103,937 11,938 5,939 0.037,940 1,941 1,942 1.2,943 2.531,944 90.07,945 0.2,946 10,947 53.303,951 9.651,952 3.692,953 1.696,955 52.807,956 5.821,961 2.86,963 36.022,964 266.659,965 19,973 4.413,974 0.785,975 26.047,976 29.515,977 0.337,978 0.745,979 0.883,980 0.922,981 0.922,982 0.922,983 4.227,984 -0.233,985 5.142,986 -0.478,987 3.761,988 4.248,989 1.54,990 5.979,991 3.625,992 5.435,993 -0.637,994 6.72,995 -0.536,996 3.434,997 4.086,998 0.623,999 6.957,1000 3.202,1001 6.749,1002 -1.121,1003 8.401,1004 -1.563,1005 5.371,1006 6.406,1007 1.639,1008 10.073,1009 5.129,1010 8.099,1011 -1.408,1012 10.141,1013 -2.746,1014 5.832,1015 7.023,1016 1.178,1017 11.884,1018 5.512,1019 9.48,1020 -1.597,1021 11.919,1022 -3.517,1023 7.281,1024 8.854,1025 1.916,1026 14.536,1027 6.95,1028 10.884,1029 -1.801,1030 13.725,1031 -4.495,1032 8.12,1033 9.857,1034 1.7,1035 16.697,1036 7.727,1037 12.305,1038 -2,1039 15.553,1040 -5.211,1041 9.378,1042 11.472,1043 2.274,1044 19.184,1045 8.964,1046 3.152,1047 -2,1048 17.397,1049 -6.582,1050 10.391,1051 12.671,1052 2.213,1053 21.484,1054 9.924,1055 2.38,1056 10.891,1057 19.254,1058 -6.899,1059 11.577,1060 14.183,1061 2.679,1062 23.91,1063 11.079,1064 2.009,1065 6.966,1066 21.122,1067 4.083,1068 12.666,1069 15.482,1070 2.722,1071 26.265,1072 12.119,1073 1.781,1074 5.841,1075 22.998,1076 3.059,1077 13.826,1078 16.943,1079 3.115,1080 28.667,1081 13.241,1082 1.198,1083 4.852,1084 24.881,1085 2.495,1086 14.948,1087 18.293,1088 3.229,1089 31.042,1090 14.316,1091 0.471,1092 2.739,1093 26.769,1094 2.214,1095 16.098,1096 19.728,1097 3.574,1098 33.435,1099 15.425,1100 -0.196,1101 0.739,1102 28.662,1103 1.552,1104 17.235,1105 21.105,1106 3.735,1107 35.818,1108 16.514,1109 1211,1110 2144,1111 9.652,1112 17.682,1113 22.174,1114 22.458,1115 23.562,1116 22.119,1117 21.985,1118 27.802,1119 4.169,1120 64.056,1121 20.324,1122 5.306,1123 5.508,1124 6.282,1125 5.18,1126 5.152,1127 7.083,1128 2.316,1129 17.79,1130 5.006,1131 6.955,1132 1.478,1133 1.497,1134 1.571,1135 1.475,1136 1.466,1137 1.853,1138 0.278,1139 4.27,1140 1.355,1141 3.995,1142 4.031,1143 4.055,1144 3.915,1145 4.976,1146 3.915,1147 3.549,1148 3.621,1149 3.572,1150 3.356,1151 4.681,1152 3.369,1153 3.329,1154 3.424,1155 3.263,1156 3.112,1157 4.295,1158 3.107,1159 3.046,1160 3.142,1161 3.12,1162 2.853,1163 4.076,1164 2.841,1165 2.821,1166 2.877,1167 2.774,1168 2.679,1169 3.781,1170 2.651,1171 2.603,1172 2.672,1173 2.481,1174 2.447,1175 3.544,1176 2.447,1177 2.278,1178 2.421,1179 2.216,1180 1.938,1181 3.096,1182 1.923,1183 1.979,1184 2.158,1185 1.927,1186 1.567,1187 3.025,1188 1.531,1189 0.298,1190 0.234,1191 0.449,1192 0.274,1193 0.21,1194 4.465,1195 0.272,1196 3.508,1197 0.086,1198 6.734,1199 0.726,1200 4.109,1201 0.2,1202 3.152,1203 4.083,1204 1.284,1205 10.891,1206 3.006,1207 1.948,1208 1.922,1209 2.03,1210 2.062,1211 1.217,1212 2.057,1213 1.496,1214 1.427,1215 1.722,1216 1.721,1217 0.811,1218 1.726,1219 1.327,1220 1.229,1221 1.666,1222 1.579,1223 0.694,1224 1.616,1225 1.009,1226 0.924,1227 1.282,1228 1.29,1229 0.314,1230 1.304,1231 0.807,1232 0.75,1233 1.022,1234 0.973,1235 0.152,1236 1.011,1237 0.586,1238 0.522,1239 0.834,1240 0.789,1242 0.813,1243 0.243,1244 0.102,1245 0.679,1246 0.632,1248 0.667,1251 0.486,1252 0.408,1254 0.451,1255 3.434,1257 4.745,1259 6.282,1261 7.93,1263 9.633,1265 3.872,1266 6.098,1272 6.163,1275 0.099,1280 16.526,1281 41.218,1282 91.05,1283 107.947,1284 112.702,1285 112.702,1286 112.702,1287 14.904,1288 5.746,1289 36.42,1290 36.42,1291 12,1292 11.856,1293 3,1294 2.322,1295 21.145,1296 30,1297 28,1298 0.404,1299 108.913,1300 183.59,1301 257.508,1302 1681,1303 3.8,1304 10.129,1305 0.724,1306 0.635,1307 10.629,1308 8.891,1309 6.72,1310 0.448,1311 0.327,1312 4.503,1313 6.218,1314 4.298,1315 3.602,1316 7.008,1317 4.909,1318 5.969,1319 0.284,1320 0.173,1321 6.339,1322 3.637,1323 5.011,1324 0.179,1325 0.093,1326 5.348,1327 2.613,1328 4.393,1329 0.119,1330 0.053,1331 4.795,1332 1.948,1333 3.199,1334 0.074,1335 0.026,1336 3.384,1337 1.121,1338 0.577,1339 44.867,1340 0.322,1341 13.683,1342 1.279,1343 72,1344 194.514,1345 93.181,1346 222.487,1347 299.8,1348 208,1349 85,1350 202.99,1351 102.206,1352 216.248,1353 317.68,1354 204,1355 5.837} {0 CHEMBL26998,1 1.238,2 7.111,3 4.262,4 18.165,5 77.174,6 5.754,7 0.316,8 3.799,9 3.942,10 3.134,11 3.319,12 4.682,13 3.239,14 4.395,15 4.619,16 3.44,17 3.722,18 5.152,19 3.601,20 4.705,21 4.971,22 3.547,23 3.896,24 5.42,25 3.748,26 4.788,27 5.055,28 3.482,29 3.941,30 5.489,31 3.765,32 4.863,33 5.153,34 3.357,35 3.947,36 5.518,37 3.724,38 4.85,39 5.179,40 3.156,41 3.836,42 5.442,43 3.582,44 4.651,45 4.98,46 2.905,47 3.603,48 5.312,49 3.345,50 4.305,51 4.625,52 2.568,53 3.241,54 5.075,55 2.991,56 0.06,57 0.581,58 10.864,59 4.469,60 7.468,61 6.418,62 0.122,63 0.959,64 18.887,65 7.181,66 12.613,67 10.694,68 0.191,69 1.204,70 25.053,71 9.12,72 19.362,73 13.713,74 0.216,75 1.266,76 27.002,77 10.046,78 21.267,79 14.87,80 0.247,81 1.289,82 28.137,83 11.155,84 24.591,85 16.202,86 0.19,87 1.203,88 26.834,89 10.463,90 21.882,91 15.404,92 0.175,93 0.947,94 21.92,95 8.502,96 23.337,97 12.355,98 0.136,99 0.654,100 15.598,101 5.924,102 23.987,103 8.552,104 19,105 25,106 0.223,107 0.497,108 0.735,109 0.795,110 0.795,111 0.795,112 2.961,113 1.152,114 -4.78,115 -4.69,116 -4.4,119 37.2,120 2,121 5,125 2,127 1,140 3,141 2,142 1,169 9,172 4,176 2,178 9,182 4,186 3,189 8,193 1,197 2,199 8,203 2,206 1,208 1,211 11,215 1,222 7,231 2,233 6,242 2,244 6,256 2,259 352,260 12.361,261 12.361,262 12.361,263 12.361,264 12.361,265 11.557,266 14.227,267 7.588,268 12.505,269 9.307,270 9.307,271 9.307,272 9.307,273 9.307,274 8.128,275 16.168,276 3.403,277 9.573,278 4.188,279 2.663,280 1.344,281 1.012,282 1.012,283 1.012,284 3.618,288 1,289 1,290 261,291 3,295 87.704,299 75.057,302 1.123,303 10.519,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 37.5,315 128,316 4.376,317 3.319,318 6.504,319 4.057,320 3.075,321 4.013,322 0.8,323 10.17,324 3.021,325 3.771,326 2.977,327 6.077,328 3.65,329 2.707,330 2.802,332 8.797,333 2.548,334 3.303,335 2.32,336 5.036,337 2.974,338 2.004,339 2.544,341 5.701,342 1.936,343 2.928,344 1.851,345 4.453,346 2.671,347 1.69,348 2.08,350 4.441,351 1.655,352 2.607,353 1.5,354 4.026,355 2.377,356 1.382,357 1.614,359 3.375,360 1.375,361 2.247,362 1.298,363 3.365,364 2.237,365 1.247,366 1.247,368 2.126,369 1.233,370 2.023,371 1.168,372 3.247,373 1.906,374 0.923,375 0.992,377 2.117,378 0.904,379 1.671,380 0.741,381 2.838,382 1.623,383 0.646,384 0.657,386 1.015,387 0.63,388 1.105,389 0.142,390 2.399,391 0.82,392 -0.132,393 -0.152,395 -0.294,396 -0.124,397 0.739,398 -0.287,399 2.271,400 0.521,401 -0.445,402 -0.445,404 -0.632,405 -0.428,406 0.555,407 -0.366,408 2.163,409 0.445,410 -0.544,411 -0.654,413 -1.242,414 -0.535,415 0.307,416 -0.547,417 1.781,418 0.162,419 -0.809,420 -0.872,422 -1.851,423 -0.781,424 0.021,425 -0.988,426 1.555,427 -0.085,428 -1.072,429 -1.125,431 -2.522,432 -1.056,433 -0.113,434 -1.239,435 1.335,436 -0.42,437 -1.375,438 -1.747,440 -3.562,441 -1.312,442 -0.404,443 -1.386,444 1.259,445 -0.616,446 -1.581,447 -1.802,449 -4.463,450 -1.532,451 8.733,452 0.485,453 0.328,454 0.018,455 17,456 0.944,457 6.5,458 0.361,459 10.5,460 0.583,461 18.383,462 1.021,463 21.267,464 0.495,465 8.981,466 0.499,467 2.794,468 0.155,469 5.964,470 0.331,471 0.153,473 0.275,479 1.01,480 1.404,481 1.106,482 1.257,483 1.006,484 1.201,485 0.899,486 1.211,487 1.055,488 1.115,489 0.546,490 1.088,491 1.057,492 1.047,493 1,494 0.984,495 0.744,496 0.976,497 1.218,498 1.077,499 1.141,500 1.083,501 1.033,502 1.096,503 0.804,504 1.082,505 1.046,506 1.102,507 0.94,508 1.1,509 0.691,510 0.895,511 0.887,512 0.925,513 0.692,514 0.921,515 0.981,516 0.839,517 0.9,518 0.889,519 1.18,520 0.894,521 1.279,522 0.883,523 0.962,524 0.933,525 1.5,526 0.933,527 3,529 2.222,530 1,531 0.947,532 0.604,533 0.285,534 0.205,535 0.066,536 0.031,537 2425,538 4210,539 1.994,540 58.1,541 8,542 8,545 1,547 8,550 1.592,551 1.862,552 2.873,553 -0.389,555 1,559 53.233,560 1.238,561 2.763,562 4.083,563 4.414,564 4.414,565 4.414,566 2.288,567 3.572,568 4.14,569 2.978,570 455.694,571 7.051,572 4287.13,574 1,576 1,577 233.329,578 1.415,579 4.096,580 0.158,582 0.089,583 0.037,584 0.039,585 0.03,586 0.018,587 0.017,588 0.008,589 0.016,590 0.412,591 0.67,592 1,593 1.599,594 75.455,595 -0.02,596 -0.094,597 0.032,598 -0.003,599 -0.061,600 0.012,601 -0.015,602 -0.031,603 0.007,604 -0.022,605 0.06,606 -0.007,607 -0.027,608 0.033,609 0.028,610 0.019,611 0.042,612 0.03,613 -0.101,614 -0.027,615 -0.12,616 -0.081,617 -0.046,618 -0.096,619 0.062,620 -0.12,621 -0.086,622 -0.111,623 -0.018,624 -0.113,625 0.018,626 0.003,627 0.027,628 0.004,629 0.013,630 0.015,631 -0.017,632 0.025,633 0.024,634 0.027,635 -0.059,636 0.029,637 -0.042,638 -0.029,639 -0.016,640 -0.02,641 0.012,642 -0.017,643 1.176,644 3.997,645 0.556,646 12.173,647 0.977,648 1.132,649 3.546,650 12.573,651 0.619,652 2.996,653 3.258,654 3.526,655 3.761,656 3.97,657 3.97,658 4.025,659 4.025,660 3.932,661 3.526,662 4.49,663 0.559,664 247.42,665 2.996,666 4.489,667 5.323,668 6.184,669 7.045,670 7.916,671 8.786,672 9.66,673 10.534,674 11.41,675 2.3,678 1,688 3,693 3,695 6,711 1,714 43,716 6,717 1,718 19,720 44,721 16,722 6,723 3,724 3,730 2,731 3,736 2,740 4,743 6,745 6,746 10,761 1,764 25,765 2,766 1,767 2,773 1,777 0.5,778 1,793 2,797 1,815 1,819 1,823 2,827 18,832 1,833 7,837 1,838 1,847 2.3,849 1,854 9.667,855 7.983,856 4.25,857 3.164,858 1.226,859 1.199,860 0.909,861 4.788,862 7.389,863 3.135,864 3.597,865 4.073,866 4.526,867 4.964,868 5.006,869 5.15,870 5.339,871 5.515,872 5.266,873 0.8,874 27,875 6.714,877 2.72,878 7.435,879 13.556,881 11.213,883 1.935,884 34.833,885 0.005,888 282.506,889 69.334,890 3.124,892 42.683,895 69.334,896 325.19,897 3.124,898 17.65,899 16.884,900 28.429,901 42.683,902 9.495,904 282.506,906 282.506,907 72.459,908 42.683,911 188.338,912 136.852,915 37.659,916 34.8,919 282.506,920 45.808,921 69.334,924 282.506,925 23.255,926 49.203,928 42.683,929 282.506,930 45.808,931 69.334,933 0.552,934 0.334,935 0.193,936 0.108,937 11,938 5,939 0.114,940 5,941 1,942 1.2,943 2.973,944 123.827,945 0.2,946 10,947 69.059,951 13.572,952 6.351,953 3.139,955 45.808,956 5.949,961 3.023,963 42.683,964 397.648,965 22,975 42.032,976 48.69,977 0.228,978 0.509,979 0.752,980 0.814,981 0.814,982 0.814,983 4.35,984 0.646,985 5.283,986 2.117,987 3.932,988 4.277,989 0.673,990 6.08,991 3.877,992 5.486,993 -0.132,994 6.832,995 1.015,996 3.434,997 3.98,998 0.325,999 6.986,1000 3.317,1001 6.76,1002 -0.445,1003 8.489,1004 -0.294,1005 5.493,1006 6.312,1007 0.379,1008 10.084,1009 5.378,1010 8.071,1011 -0.544,1012 10.21,1013 -0.632,1014 5.861,1015 6.887,1016 0.268,1017 11.821,1018 5.689,1019 9.422,1020 -0.809,1021 11.971,1022 -1.242,1023 7.362,1024 8.712,1025 0.239,1026 14.414,1027 7.192,1028 10.799,1029 -1.072,1030 13.757,1031 -1.851,1032 8.132,1033 9.693,1034 0.188,1035 16.475,1036 7.921,1037 12.196,1038 -1.375,1039 15.562,1040 -2.522,1041 9.4,1042 11.303,1043 0.156,1044 18.888,1045 9.185,1046 3.075,1047 -1.581,1048 17.379,1049 -3.562,1050 10.355,1051 12.482,1052 0.125,1053 21.085,1054 10.11,1055 2.707,1056 10.17,1057 19.205,1058 -4.463,1059 11.525,1060 13.99,1061 0.102,1062 23.43,1063 11.273,1064 2.004,1065 8.797,1066 21.038,1067 4.013,1068 12.564,1069 15.269,1070 0.082,1071 25.686,1072 12.29,1073 1.69,1074 5.701,1075 22.876,1076 2.802,1077 13.695,1078 16.724,1079 0.066,1080 28.005,1081 13.411,1082 1.382,1083 4.441,1084 24.719,1085 2.544,1086 14.772,1087 18.053,1088 0.054,1089 30.289,1090 14.471,1091 1.247,1092 3.375,1093 26.564,1094 2.08,1095 15.89,1096 19.48,1097 0.043,1098 32.6,1099 15.577,1100 0.923,1101 2.126,1102 28.413,1103 1.614,1104 16.986,1105 20.837,1106 0.035,1107 34.897,1108 16.658,1109 2542,1110 3431,1111 12.425,1112 26.597,1113 27.325,1114 27.469,1115 28.988,1116 27.408,1117 27.346,1118 31.898,1119 1.6,1120 75.486,1121 26.604,1122 5.321,1123 5.319,1124 6.306,1125 5.057,1126 5.075,1127 7.013,1128 1.2,1129 16.855,1130 5.021,1131 8.825,1132 1.438,1133 1.446,1134 1.526,1135 1.443,1136 1.439,1137 1.679,1138 0.084,1139 3.973,1140 1.4,1141 4.021,1142 4.056,1143 3.952,1144 3.949,1145 6.469,1146 3.945,1147 3.744,1148 3.808,1149 3.62,1150 3.588,1151 4.63,1152 3.585,1153 3.501,1154 3.586,1155 3.3,1156 3.348,1157 4.302,1158 3.324,1159 3.468,1160 3.532,1161 3.279,1162 3.343,1163 4.04,1164 3.32,1165 3.158,1166 3.234,1167 2.995,1168 3,1169 3.999,1170 2.988,1171 3.002,1172 3.098,1173 2.788,1174 2.791,1175 3.652,1176 2.777,1177 2.775,1178 2.836,1179 2.576,1180 2.589,1181 3.5,1182 2.572,1183 2.699,1184 2.832,1185 2.483,1186 2.492,1187 3.283,1188 2.48,1189 0.23,1190 0.175,1191 0.342,1192 0.214,1193 0.162,1194 4.376,1195 0.211,1196 3.319,1197 0.042,1198 6.504,1199 0.535,1200 4.057,1201 0.159,1202 3.075,1203 4.013,1204 0.8,1205 10.17,1206 3.021,1207 1.996,1208 1.969,1209 2.126,1210 2.098,1211 1.46,1212 2.109,1213 1.726,1214 1.661,1215 1.961,1216 1.91,1217 1.219,1218 1.929,1219 1.539,1220 1.459,1221 1.861,1222 1.738,1223 1.09,1224 1.785,1225 1.488,1226 1.428,1227 1.729,1228 1.653,1229 0.908,1230 1.683,1231 1.166,1232 1.096,1233 1.483,1234 1.389,1235 0.76,1236 1.426,1237 1.012,1238 0.915,1239 1.383,1240 1.268,1241 0.556,1242 1.311,1243 0.759,1244 0.691,1245 1.24,1246 1.062,1247 0.403,1248 1.131,1249 0.758,1250 0.629,1251 1.081,1252 1.043,1253 0.29,1254 1.034,1255 3.664,1257 4.934,1259 6.431,1261 8.039,1263 9.703,1265 4.494,1270 9.997,1271 8.147,1275 0.616,1276 2.607,1280 24.058,1281 53.233,1282 118.826,1283 175.555,1284 189.82,1285 189.82,1286 189.82,1287 28.535,1288 6.163,1289 23.47,1290 23.47,1291 12,1292 11.949,1293 2.807,1294 2,1295 30.816,1296 48,1297 46,1298 0.331,1299 151.469,1300 261.61,1301 361.346,1302 2975,1304 12.958,1305 0.72,1306 0.647,1307 12.958,1308 11.654,1309 8.758,1310 0.461,1311 0.384,1312 7.251,1313 8.588,1314 7.012,1315 5.899,1316 8.758,1317 7.296,1318 7.243,1319 0.29,1320 0.214,1321 7.243,1322 5.347,1323 6.04,1324 0.183,1325 0.12,1326 6.04,1327 3.973,1328 5.059,1329 0.12,1330 0.074,1331 5.059,1332 3.114,1333 4.064,1334 0.078,1335 0.045,1336 4.064,1337 2.317,1338 0.496,1339 53.698,1340 0.284,1341 17.819,1342 0.971,1343 88,1344 175.795,1345 92.518,1346 174.276,1347 241.59,1348 164,1349 102,1350 178.495,1351 106.824,1352 182.367,1353 266.56,1354 173,1355 6.49} {0 CHEMBL270176,1 1.585,2 5.143,3 2.761,4 7.623,5 58.975,6 8.065,7 0.4,8 3.361,9 3.501,10 2.987,11 2.918,12 4.456,13 2.882,14 3.863,15 4.048,16 3.38,17 3.309,18 4.937,19 3.238,20 4.111,21 4.335,22 3.491,23 3.442,24 5.097,25 3.353,26 4.1,27 4.313,28 3.5,29 3.399,30 5.175,31 3.285,32 4.037,33 4.276,34 3.032,35 3.225,36 5.055,37 3.044,38 3.856,39 4.171,40 2.286,41 2.771,42 4.777,43 2.487,44 3.295,45 3.696,46 0.804,47 1.977,48 3.789,49 1.542,50 1.693,51 2.115,52 0.035,53 0.545,54 1.792,55 0.298,56 0.031,57 0.394,58 5.141,59 2.099,60 6.259,61 2.941,62 0.107,63 0.604,64 9.86,65 3.95,66 13.154,67 5.464,68 0.143,69 0.697,70 15.421,71 4.643,72 18.891,73 6.586,74 0.203,75 0.644,76 17.226,77 4.72,78 22.737,79 6.655,80 0.166,81 0.563,82 17.513,83 4.684,84 23.228,85 6.486,86 0.218,87 0.395,88 16.241,89 3.859,90 29.775,91 5.622,92 0.11,93 0.172,94 10.684,95 2.628,96 14.349,97 3.83,98 0.018,99 0.026,100 1.726,101 0.448,102 2.166,103 0.693,104 11,105 21,106 0.32,107 0.718,108 0.844,109 0.881,110 0.881,111 0.881,112 2.737,113 0.997,114 -3.62,115 -3.59,116 -3.42,119 38.5,120 1,121 1,127 1,140 3,141 1,142 2,157 1,161 1,162 1,163 1,169 3,172 2,173 1,174 2,175 1,176 2,177 1,178 6,182 1,186 1,189 3,193 3,197 6,199 4,201 3,203 1,208 3,211 4,213 2,220 2,222 1,224 2,259 152,260 9.37,261 9.37,262 9.37,263 9.37,264 9.37,265 8.306,266 11.489,267 5.45,268 9.633,269 7.332,270 7.332,271 7.332,272 7.332,273 7.332,274 5.776,275 16.956,276 2.475,277 7.826,278 3.115,279 1.145,280 0.52,281 0.337,282 0.337,283 0.337,284 3.375,285 1,288 1,289 1,290 148,291 1.871,295 56.472,299 48.717,302 0.612,303 11.086,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 29.833,315 72,316 4.47,317 3.514,318 6.766,319 4.122,320 3.164,321 4.085,322 1.257,323 11.057,324 3.024,325 3.709,326 2.878,327 5.239,328 3.202,329 2.305,330 3.006,331 0.533,332 6.459,333 2.067,334 3.294,335 2.355,336 5.207,337 3.052,338 2.09,339 2.507,340 0.123,341 6.228,342 1.989,343 3.082,344 2.246,345 4.676,346 2.646,347 1.744,348 2.219,350 4.769,351 1.52,352 2.617,353 1.314,354 3.756,355 2.229,356 1.246,357 1.647,359 2.825,360 1.207,361 1.536,362 0.701,363 2.946,364 1.408,365 0.45,366 0.47,368 0.722,369 0.42,370 1.108,371 0.38,372 2.597,373 0.722,374 -0.189,375 -0.207,377 -0.464,378 -0.135,379 0.941,380 0.021,381 2.373,382 0.637,383 -0.232,384 -0.285,386 -0.536,387 -0.21,388 0.602,389 -0.289,390 2.241,391 0.169,392 -0.745,393 -0.913,395 -1.817,396 -0.648,397 0.256,398 -0.731,399 1.741,400 -0.049,401 -1,402 -1.159,404 -2.4,405 -0.946,406 -0.1,407 -1.087,408 1.281,409 -0.59,410 -1.378,411 -1.696,413 -3.458,414 -1.122,415 -0.5,416 -1.389,417 1.155,418 -0.739,419 -1.682,420 -2.029,422 -4.543,423 -1.567,424 -0.532,425 -1.568,426 1.08,427 -0.836,428 -1.772,429 -2.138,430 -0.331,431 -5.299,432 -1.717,433 -0.656,434 -1.604,435 0.479,436 -1,437 -2,438 -2.505,439 -0.562,440 -6.607,441 -1.882,442 -0.827,443 -2,444 0.463,445 -1.072,446 -2,447 -3,448 -1.02,449 -6.936,450 -2,451 6.914,452 0.494,453 0.366,454 0.026,455 17,456 1.214,457 8,458 0.571,459 9,460 0.643,461 10.266,462 0.733,463 15.286,464 0.588,465 9.39,466 0.671,467 3.247,468 0.232,469 3.473,470 0.248,471 0.233,473 0.362,479 0.916,480 1.242,481 0.623,482 0.84,483 1.048,484 0.845,485 0.514,486 1.032,487 0.605,488 0.901,489 0.473,490 0.905,491 1.136,492 1.026,493 0.849,494 0.796,495 0.998,496 0.824,497 1.054,498 1.19,499 1.117,500 1.148,501 0.99,502 1.097,503 1.4,504 1.182,505 1.464,506 1.335,507 1.384,508 1.34,509 1.127,510 0.824,511 1.268,512 1.153,513 1.294,514 1.188,515 0.659,516 0.381,517 0.907,518 0.707,519 0.774,520 0.67,527 3,529 1.556,530 1.563,531 1.058,532 0.354,533 0.08,537 1101,538 3291,539 1.993,540 46.2,541 3,542 4,545 3,547 2,550 1.519,551 1.826,552 2.419,553 1.383,557 1,559 41.218,560 1.585,561 3.555,562 4.181,563 4.364,564 4.364,565 4.364,566 1.531,567 3.379,568 3.784,569 2.415,570 219.741,571 6.349,572 1726.95,574 1,577 122.211,578 1.531,579 3.714,580 0.2,582 0.074,583 0.071,584 0.056,585 0.032,586 0.027,590 0.46,591 1,592 1,593 1.02,594 51.006,595 -0.151,596 0.009,597 -0.007,598 0.079,599 -0.228,600 0.067,601 0.252,602 0.097,603 0.099,604 0.039,605 0.227,606 0.038,607 -0.157,608 0.02,609 0.037,610 0.14,611 -0.125,612 0.111,613 0.047,614 -0.181,615 -0.035,616 -0.17,617 0.044,618 -0.149,619 -0.295,620 -0.244,621 -0.334,622 -0.354,623 -0.23,624 -0.387,625 -0.087,626 -0.033,627 -0.187,628 -0.201,629 -0.115,630 -0.218,631 0.138,632 0.159,633 0.202,634 0.311,635 0.099,636 0.411,637 0.498,638 0.428,639 0.804,640 0.963,641 0.569,642 1.111,643 1.25,644 2.002,645 0.714,646 5.837,647 1.002,648 1.135,649 2.392,650 5.721,651 0.68,652 2.773,653 3.091,654 3.367,655 3.664,656 3.829,657 3.738,658 3.555,659 3.466,660 3.296,661 2.708,662 3.288,663 0.636,664 209.7,665 2.773,666 4.29,667 5.142,668 6.033,669 6.905,670 7.801,671 8.677,672 9.574,673 10.45,674 11.347,675 11.5,676 1,680 1,684 1,688 3,693 3,695 6,707 1,713 1,714 26,716 7,717 1,718 15,720 27,721 10,722 6,723 3,724 3,730 2,731 3,732 1,734 1,736 1,740 1,743 2,745 7,746 3,750 1,758 1,759 1,761 1,764 12,765 3,766 3,767 4,768 1,773 3,777 0.5,793 2,797 1,812 1,819 1,823 1,824 1,827 14,828 1,833 1,834 1,837 1,846 1,854 7.667,855 4.76,856 3.167,857 1.625,858 1.609,859 1.28,860 0.976,861 2.545,862 7.355,863 2.996,864 3.57,865 4.09,866 4.653,867 5.13,868 5.23,869 5.34,870 5.578,871 5.64,872 5.109,873 0.5,874 22,875 5.132,876 0.002,877 2.128,878 7.722,879 9.812,880 0.001,881 7.947,882 -0.001,883 2.222,884 31.111,885 0.006,888 105.94,889 51.131,890 67.693,891 39.149,895 51.131,896 145.089,897 67.693,898 8.825,899 35.432,900 28.429,901 18.011,902 26.228,903 1.899,904 105.94,905 39.149,906 105.94,907 118.824,909 39.149,911 82.398,912 23.542,915 61.042,916 39.771,917 57.159,919 105.94,920 67.693,921 90.279,924 105.94,925 13.877,926 37.254,927 18.011,928 88.831,929 105.94,930 67.693,931 90.279,933 0.577,934 0.353,935 0.209,936 0.113,937 11,938 5,939 0.037,940 1,941 1,942 1.2,943 2.516,944 90.583,945 0.2,946 10,947 53.303,951 9.651,952 3.692,953 1.696,955 67.693,956 5.743,961 2.765,963 50.908,964 263.913,965 19,973 4.302,974 0.464,975 26.047,976 29.515,977 0.337,978 0.756,979 0.889,980 0.928,981 0.928,982 0.928,983 4.227,984 -0.232,985 5.142,986 -0.464,987 3.761,988 4.248,989 1.469,990 5.984,991 3.635,992 5.435,993 -0.745,994 6.72,995 -0.536,996 3.434,997 4.086,998 0.623,999 6.974,1000 3.202,1001 6.749,1002 -1,1003 8.402,1004 -1.817,1005 5.371,1006 6.399,1007 1.562,1008 10.102,1009 5.147,1010 8.098,1011 -1.378,1012 10.144,1013 -2.4,1014 5.832,1015 7.014,1016 1.104,1017 11.939,1018 5.524,1019 9.477,1020 -1.682,1021 11.926,1022 -3.458,1023 7.286,1024 8.845,1025 1.812,1026 14.603,1027 6.978,1028 10.879,1029 -1.772,1030 13.737,1031 -4.543,1032 8.128,1033 9.849,1034 1.569,1035 16.791,1036 7.757,1037 12.299,1038 -2,1039 15.57,1040 -5.299,1041 9.391,1042 11.465,1043 2.129,1044 19.291,1045 9.003,1046 3.164,1047 -2,1048 17.42,1049 -6.607,1050 10.41,1051 12.667,1052 2.032,1053 21.615,1054 9.969,1055 2.305,1056 11.057,1057 19.284,1058 -6.936,1059 11.601,1060 14.18,1061 2.489,1062 24.054,1063 11.131,1064 2.09,1065 6.459,1066 21.158,1067 4.085,1068 12.697,1069 15.482,1070 2.494,1071 26.428,1072 12.178,1073 1.744,1074 6.228,1075 23.041,1076 3.006,1077 13.861,1078 16.944,1079 2.879,1080 28.845,1081 13.307,1082 1.246,1083 4.769,1084 24.93,1085 2.507,1086 14.989,1087 18.297,1088 2.956,1089 31.237,1090 14.388,1091 0.45,1092 2.825,1093 26.825,1094 2.219,1095 16.144,1096 19.733,1097 3.29,1098 33.645,1099 15.503,1100 -0.189,1101 0.722,1102 28.724,1103 1.647,1104 17.286,1105 21.111,1106 3.417,1107 36.044,1108 16.599,1109 1185,1110 2111,1111 9.652,1112 17.682,1113 22.219,1114 22.352,1115 23.578,1116 22.197,1117 21.997,1118 27.864,1119 3.826,1120 64.12,1121 20.455,1122 5.297,1123 5.514,1124 6.303,1125 5.194,1126 5.164,1127 7.085,1128 2.276,1129 17.993,1130 5.024,1131 6.948,1132 1.481,1133 1.49,1134 1.572,1135 1.48,1136 1.466,1137 1.858,1138 0.255,1139 4.275,1140 1.364,1141 3.998,1142 4.034,1143 4.057,1144 3.919,1145 5.163,1146 3.919,1147 3.556,1148 3.619,1149 3.564,1150 3.414,1151 4.898,1152 3.407,1153 3.363,1154 3.459,1155 3.293,1156 3.113,1157 4.39,1158 3.131,1159 2.939,1160 3.003,1161 3.146,1162 2.832,1163 4.215,1164 2.808,1165 2.835,1166 2.936,1167 2.675,1168 2.624,1169 3.924,1170 2.628,1171 2.556,1172 2.652,1173 2.511,1174 2.326,1175 3.605,1176 2.304,1177 2.29,1178 2.424,1179 2.048,1180 1.859,1181 3.215,1182 1.873,1183 2.099,1184 2.269,1185 2.017,1186 1.72,1187 3.045,1188 1.687,1189 0.298,1190 0.234,1191 0.451,1192 0.275,1193 0.211,1194 4.47,1195 0.272,1196 3.514,1197 0.084,1198 6.766,1199 0.737,1200 4.122,1201 0.202,1202 3.164,1203 4.085,1204 1.257,1205 11.057,1206 3.024,1207 1.953,1208 1.926,1209 2.041,1210 2.064,1211 1.273,1212 2.062,1213 1.556,1214 1.492,1215 1.814,1216 1.726,1217 0.962,1218 1.76,1219 1.29,1220 1.201,1221 1.498,1222 1.589,1223 0.49,1224 1.577,1225 0.923,1226 0.868,1227 1.215,1228 1.15,1229 0.248,1230 1.183,1231 0.792,1232 0.709,1233 1.063,1234 1.069,1235 0.054,1236 1.081,1237 0.539,1238 0.442,1239 0.895,1240 0.804,1242 0.855,1243 0.228,1244 0.067,1245 0.674,1246 0.583,1248 0.617,1249 0.107,1251 0.558,1252 0.523,1254 0.56,1255 3.434,1257 4.745,1259 6.282,1261 7.933,1263 9.641,1265 2.069,1266 6.113,1269 5.661,1271 0.902,1272 3.008,1275 0.083,1280 16.526,1281 41.218,1282 92.437,1283 108.702,1284 113.457,1285 113.457,1286 113.457,1287 16.626,1288 5.746,1289 50.41,1290 50.41,1291 12,1292 11.875,1293 3,1294 2.322,1295 21.055,1296 28,1297 24,1298 0.416,1299 108.913,1300 183.59,1301 257.508,1302 1679,1303 3.8,1304 10.129,1305 0.724,1306 0.62,1307 10.629,1308 8.675,1309 6.72,1310 0.448,1311 0.332,1312 4.595,1313 6.263,1314 4.438,1315 3.704,1316 7.008,1317 4.985,1318 5.991,1319 0.285,1320 0.175,1321 6.361,1322 3.672,1323 4.915,1324 0.176,1325 0.095,1326 5.252,1327 2.66,1328 4.402,1329 0.116,1330 0.052,1331 4.776,1332 1.983,1333 3.45,1334 0.077,1335 0.029,1336 3.704,1337 1.305,1338 0.588,1339 44.598,1340 0.322,1341 13.588,1342 1.352,1343 72,1344 189.494,1345 92.82,1346 219.595,1347 294.42,1348 204,1349 85,1350 199.426,1351 101.54,1352 212.592,1353 312.76,1354 201,1355 5} {0 CHEMBL270177,1 1.632,2 4.769,3 2.237,4 5.006,5 54.451,6 8.507,7 0.429,8 3.256,9 3.392,10 2.927,11 2.818,12 4.392,13 2.793,14 3.737,15 3.911,16 3.334,17 3.206,18 4.877,19 3.151,20 3.964,21 4.169,22 3.417,23 3.332,24 5.014,25 3.254,26 3.94,27 4.137,28 3.394,29 3.249,30 5.088,31 3.132,32 3.868,33 4.131,34 2.589,35 2.942,36 4.873,37 2.723,38 3.439,39 3.817,40 1.902,41 2.203,42 4.226,43 1.898,44 2.379,45 2.711,46 0.587,47 1.299,48 3.101,49 0.974,50 1.02,51 1.365,52 0.014,53 0.255,54 1.099,55 0.13,56 0.041,57 0.355,58 4.135,59 1.763,60 6.571,61 2.375,62 0.113,63 0.541,64 7.984,65 3.322,66 12.518,67 4.491,68 0.158,69 0.614,70 12.506,71 3.804,72 18.012,73 5.157,74 0.182,75 0.541,76 14.312,77 4.121,78 20.006,79 5.576,80 0.224,81 0.44,82 16.885,83 3.884,84 27.179,85 5.246,86 0.146,87 0.235,88 10.776,89 2.806,90 19.877,91 4.254,92 0.066,93 0.06,94 5.399,95 1.038,96 8.105,97 1.408,98 0.009,99 0.011,100 0.779,101 0.194,102 1.043,103 0.302,104 10,105 20,106 0.34,107 0.74,108 0.837,109 0.88,110 0.88,111 0.88,112 2.672,113 0.953,114 -3.33,115 -3.32,116 -3.18,119 39.1,120 1,127 1,140 3,141 1,142 2,157 1,161 1,162 1,163 1,169 2,172 2,173 1,174 2,175 1,176 2,177 1,178 6,186 1,189 2,193 3,197 6,199 4,201 3,203 1,208 1,211 1,213 1,220 2,224 2,259 115,260 8.5,261 8.5,262 8.5,263 8.5,264 8.5,265 7.435,266 11.489,267 4.924,268 8.772,269 6.895,270 6.895,271 6.895,272 6.895,273 6.895,274 5.321,275 16.956,276 2.314,277 7.39,278 2.891,279 0.968,280 0.5,281 0.294,282 0.294,283 0.294,284 3.303,285 1,288 1,289 1,290 128,291 1.581,295 50.688,299 43.706,302 0.746,303 10.335,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 27.833,315 62,316 4.461,317 3.5,318 6.732,319 4.105,320 3.147,321 4.081,322 1.257,323 10.876,324 3.004,325 3.705,326 2.877,327 5.229,328 3.195,329 2.301,330 3,331 0.533,332 6.442,333 2.043,334 3.268,335 2.287,336 5.06,337 2.97,338 2.009,339 2.492,340 0.123,341 5.816,342 1.924,343 3.043,344 2.244,345 4.636,346 2.627,347 1.721,348 2.185,350 4.639,351 1.51,352 2.529,353 1.3,354 3.681,355 2.161,356 1.195,357 1.535,359 2.726,360 1.125,361 1.168,362 0.463,363 2.727,364 0.843,365 -0.092,366 -0.102,368 -0.239,369 -0.078,370 1.052,371 0.13,372 2.573,373 0.639,374 -0.208,375 -0.258,377 -0.504,378 -0.155,379 0.776,380 -0.106,381 2.333,382 0.384,383 -0.529,384 -0.61,386 -1.252,387 -0.469,388 0.305,389 -0.67,390 1.749,391 0.028,392 -0.915,393 -1.074,395 -2.329,396 -0.853,397 -0.099,398 -1.036,399 1.457,400 -0.561,401 -1.369,402 -1.629,404 -3.4,405 -1.099,406 -0.304,407 -1.185,408 1.264,409 -0.59,410 -1.519,411 -1.984,413 -4.15,414 -1.429,415 -0.5,416 -1.46,417 1.095,418 -0.829,419 -1.739,420 -2.133,421 -0.331,422 -5.153,423 -1.648,424 -0.581,425 -1.603,426 1,427 -1,428 -2,429 -2.502,430 -0.562,431 -6.572,432 -1.874,433 -0.824,434 -2,435 0.464,436 -1.071,437 -2,438 -3,439 -1.02,440 -6.899,441 -2,451 6.414,452 0.493,453 0.404,454 0.031,455 16.5,456 1.269,457 8,458 0.615,459 8.5,460 0.654,461 8.722,462 0.671,463 13.986,464 0.608,465 9.005,466 0.693,467 3.259,468 0.251,469 2.922,470 0.225,471 0.252,473 0.39,479 0.929,480 1.215,481 0.592,482 0.778,483 1.084,484 0.784,485 0.522,486 0.985,487 0.572,488 0.836,489 0.453,490 0.84,491 1.245,492 1.014,493 0.923,494 0.81,495 1.117,496 0.869,497 0.968,498 1.346,499 1.18,500 1.336,501 0.868,502 1.253,503 1.61,504 0.974,505 1.683,506 1.349,507 1.707,508 1.384,509 0.31,510 0.6,511 0.436,512 0.658,513 0.445,514 0.674,515 1.613,516 0.377,517 2.056,518 1.184,519 1.774,520 1.051,527 3,529 1.556,530 1.563,531 0.858,532 0.264,533 0.04,537 908,538 2938,539 1.992,540 43.5,542 4,545 3,547 3,550 1.492,551 1.814,552 2.331,553 1.463,557 1,559 37.538,560 1.632,561 3.556,562 4.023,563 4.23,564 4.23,565 4.23,566 1.826,567 3.547,568 3.68,569 2.341,570 182.572,571 6.128,572 1348.12,574 1,577 104.042,578 1.549,579 3.601,580 0.214,582 0.078,583 0.078,584 0.054,585 0.044,586 0.02,590 0.488,591 1,592 1,593 0.773,594 45.596,595 -0.179,596 0.011,597 -0.012,598 0.096,599 -0.287,600 0.08,601 0.245,602 0.138,603 0.109,604 0.075,605 0.245,606 0.072,607 -0.259,608 0.05,609 -0.05,610 0.105,611 -0.248,612 0.034,613 0.085,614 -0.378,615 -0.079,616 -0.351,617 0.146,618 -0.306,619 -0.43,620 -0.11,621 -0.473,622 -0.371,623 -0.478,624 -0.428,625 0.414,626 0.042,627 0.442,628 0.325,629 0.471,630 0.421,631 -0.274,632 0.164,633 -0.335,634 -0.028,635 -0.353,636 0.084,637 0.545,638 0.421,639 0.868,640 1.045,641 0.637,642 1.23,643 1.301,644 1.924,645 0.769,646 4.757,647 1.007,648 1.135,649 2.1,650 4.411,651 0.692,652 2.708,653 3.045,654 3.296,655 3.584,656 3.689,657 3.638,658 3.367,659 3.332,660 3.091,661 2.485,662 3.105,663 0.652,664 195.67,665 2.708,666 4.234,667 5.081,668 5.974,669 6.836,670 7.733,671 8.599,672 9.497,673 10.364,674 11.261,675 13,676 1,680 1,684 1,688 3,693 3,695 6,707 1,713 1,714 23,716 7,717 1,718 14,720 24,721 9,722 6,723 3,724 3,730 2,731 3,732 1,734 1,736 1,740 1,743 1,745 7,746 2,750 1,758 1,759 1,761 1,764 10,765 3,766 3,767 4,768 1,773 3,777 0.5,793 2,797 1,812 1,819 1,823 1,824 1,827 13,828 1,834 1,837 1,846 1,854 7.167,855 4.26,856 2.833,857 1.291,858 1.612,859 1.288,860 0.984,861 2.077,862 7.218,863 2.944,864 3.541,865 4.056,866 4.604,867 5.059,868 5.173,869 5.236,870 5.482,871 5.514,872 4.925,873 1,874 20,875 4.75,876 -0.003,877 1.982,878 7.778,879 8.996,880 -0.001,881 7.275,882 0.001,883 2.278,884 29.611,885 0.007,888 82.398,889 48.596,890 67.693,891 39.149,895 48.596,896 121.546,897 67.693,898 8.825,899 32.897,900 28.429,901 18.011,902 26.228,903 1.899,904 82.398,905 39.149,906 82.398,907 116.289,909 39.149,911 47.084,912 35.313,915 58.508,916 39.771,917 57.159,919 82.398,920 67.693,921 87.745,924 82.398,925 11.342,926 37.254,927 18.011,928 88.831,929 82.398,930 67.693,931 87.745,933 0.59,934 0.348,935 0.201,936 0.097,937 11,938 5,941 1,942 1.2,943 2.423,944 81.655,945 0.2,946 10,947 48.106,951 8.691,952 3.106,953 1.46,955 67.693,956 5.689,961 2.694,963 50.908,964 237.836,965 18,973 4.184,974 0.447,975 23.164,976 26.1,977 0.361,978 0.786,979 0.889,980 0.935,981 0.935,982 0.935,983 4.182,984 -0.529,985 5.094,986 -0.504,987 3.714,988 4.22,989 1.469,990 5.932,991 3.581,992 5.404,993 -0.915,994 6.673,995 -1.252,996 3.434,997 4.086,998 0.623,999 6.905,1000 3.202,1001 6.722,1002 -1.369,1003 8.355,1004 -2.329,1005 5.323,1006 6.382,1007 1.562,1008 10.029,1009 5.089,1010 8.073,1011 -1.519,1012 10.095,1013 -3.4,1014 5.802,1015 7.005,1016 1.104,1017 11.842,1018 5.488,1019 9.453,1020 -1.739,1021 11.875,1022 -4.15,1023 7.238,1024 8.834,1025 1.812,1026 14.503,1027 6.918,1028 10.856,1029 -2,1030 13.683,1031 -5.153,1032 8.086,1033 9.839,1034 1.569,1035 16.668,1036 7.703,1037 12.276,1038 -2,1039 15.513,1040 -6.572,1041 9.341,1042 11.455,1043 2.129,1044 19.16,1045 8.94,1046 3.147,1048 17.36,1049 -6.899,1050 10.359,1051 12.656,1052 2.032,1053 21.463,1054 9.904,1055 2.301,1056 10.876,1057 19.22,1059 11.545,1060 14.17,1061 2.489,1062 23.89,1063 11.059,1064 2.009,1065 6.442,1066 21.092,1067 4.081,1068 12.637,1069 15.47,1070 2.494,1071 26.245,1072 12.102,1073 1.721,1074 5.816,1075 22.971,1076 3,1077 13.796,1078 16.932,1079 2.879,1080 28.648,1081 13.224,1082 1.195,1083 4.639,1084 24.857,1085 2.492,1086 14.919,1087 18.283,1088 2.956,1089 31.023,1090 14.3,1091 -0.092,1092 2.726,1093 26.748,1094 2.185,1095 16.07,1096 19.719,1097 3.29,1098 33.415,1099 15.409,1100 -0.208,1101 -0.239,1102 28.642,1103 1.535,1104 17.206,1105 21.096,1106 3.417,1107 35.797,1108 16.498,1109 978,1110 1814,1111 8.959,1112 15.921,1113 21.155,1114 21.276,1115 22.104,1116 20.9,1117 20.745,1118 26.585,1119 3.826,1120 60.998,1121 19.212,1122 5.285,1123 5.5,1124 6.268,1125 5.176,1126 5.147,1127 7.081,1128 2.276,1129 17.775,1130 5.004,1131 6.434,1132 1.511,1133 1.52,1134 1.579,1135 1.493,1136 1.482,1137 1.899,1138 0.273,1139 4.357,1140 1.372,1141 3.992,1142 4.027,1143 4.054,1144 3.913,1145 5.165,1146 3.913,1147 3.508,1148 3.575,1149 3.548,1150 3.333,1151 4.898,1152 3.341,1153 3.235,1154 3.336,1155 3.253,1156 3.004,1157 4.392,1158 3.011,1159 2.87,1160 2.94,1161 2.999,1162 2.737,1163 4.211,1164 2.716,1165 2.759,1166 2.841,1167 2.637,1168 2.58,1169 3.775,1170 2.575,1171 2.325,1172 2.449,1173 2.23,1174 1.969,1175 3.516,1176 1.961,1177 2.257,1178 2.405,1179 2.029,1180 1.843,1181 3.08,1182 1.854,1183 1.691,1184 1.807,1185 1.925,1186 1.464,1187 3.005,1188 1.396,1189 0.319,1190 0.25,1191 0.481,1192 0.293,1193 0.225,1194 4.461,1195 0.292,1196 3.5,1197 0.09,1198 6.732,1199 0.777,1200 4.105,1201 0.215,1202 3.147,1203 4.081,1204 1.257,1205 10.876,1206 3.004,1207 1.947,1208 1.921,1209 2.029,1210 2.058,1211 1.214,1212 2.055,1213 1.47,1214 1.404,1215 1.706,1216 1.668,1217 0.81,1218 1.679,1219 1.186,1220 1.092,1221 1.439,1222 1.493,1223 0.334,1224 1.502,1225 0.829,1226 0.778,1227 1.071,1228 1.079,1229 0.153,1230 1.088,1231 0.739,1232 0.66,1233 1.017,1234 0.958,1236 0.999,1237 0.257,1238 0.125,1239 0.711,1240 0.632,1242 0.672,1243 0.22,1244 0.055,1245 0.568,1246 0.578,1248 0.59,1251 0.246,1252 0.066,1254 0.138,1255 3.367,1257 4.691,1259 6.232,1261 7.883,1263 9.589,1265 1.971,1266 6.035,1269 5.586,1272 2.974,1275 0.032,1280 14.999,1281 37.538,1282 81.777,1283 92.532,1284 97.287,1285 97.287,1286 97.287,1287 14.009,1288 5.606,1289 50.41,1290 50.41,1291 12,1292 11.791,1293 3,1294 2.322,1295 18.966,1296 25,1297 20,1298 0.43,1299 99.321,1300 166.29,1301 234.103,1302 1400,1303 4.3,1304 9.422,1305 0.725,1306 0.613,1307 9.922,1308 7.968,1309 6.182,1310 0.442,1311 0.318,1312 4.057,1313 5.72,1314 3.901,1315 3.24,1316 6.47,1317 4.447,1318 5.799,1319 0.29,1320 0.171,1321 6.17,1322 3.424,1323 4.572,1324 0.176,1325 0.092,1326 4.909,1327 2.396,1328 4.257,1329 0.122,1330 0.053,1331 4.659,1332 1.847,1333 2.848,1334 0.073,1335 0.025,1336 3.034,1337 0.97,1338 0.604,1339 41.37,1340 0.334,1341 12.597,1342 1.403,1343 68,1344 185.494,1345 88.82,1346 215.603,1347 288.1,1348 200,1349 80,1350 194.426,1351 96.373,1352 207.727,1353 304.16,1354 196,1355 5.896} {0 CHEMBL271253,1 1.932,2 7.167,3 3.847,4 14.796,5 68.591,6 10.143,7 0.316,8 3.498,9 3.614,10 3.297,11 3.033,12 4.681,13 3.035,14 4.053,15 4.221,16 3.745,17 3.422,18 5.525,19 3.402,20 4.269,21 4.47,22 3.861,23 3.561,24 5.532,25 3.51,26 4.209,27 4.381,28 3.851,29 3.529,30 5.456,31 3.459,32 4.209,33 4.42,34 3.794,35 3.396,36 5.587,37 3.282,38 4.02,39 4.275,40 3.137,41 3.081,42 5.123,43 2.951,44 3.778,45 4.018,46 3.072,47 2.8,48 5.123,49 2.734,50 3.57,51 3.791,52 3.123,53 2.36,54 5.349,55 2.395,56 0.168,57 0.557,58 2.956,59 2.43,60 19.529,61 2.647,62 0.567,63 0.93,64 8.995,65 4.502,66 78.09,67 4.9,68 0.697,69 0.843,70 17.313,71 5.358,72 68.884,73 6.118,74 0.569,75 0.75,76 16.727,77 5.264,78 56.006,79 5.806,80 0.729,81 0.699,82 24.133,83 5.208,84 58.004,85 6.343,86 0.553,87 0.632,88 19.998,89 5.325,90 68.004,91 6.467,92 0.467,93 0.614,94 15.369,95 4.312,96 56.172,97 4.699,98 0.676,99 0.457,100 16.269,101 3.524,102 88.555,103 2.723,104 29,105 27,106 0.38,107 0.74,108 0.855,109 0.882,110 0.896,111 0.896,112 2.961,113 0.962,114 -4.71,115 -4.62,116 -4.34,119 37.9,120 1,125 1,127 1,128 1,140 2,141 1,142 3,157 1,169 1,172 2,174 2,175 1,176 1,178 5,186 2,189 4,193 2,197 5,199 2,203 2,208 2,211 3,220 2,259 320,260 11.569,261 11.569,262 11.569,263 11.569,264 11.569,265 10.504,266 15.062,267 6.717,268 12.162,269 9.345,270 9.345,271 9.345,272 9.345,273 9.345,274 7.703,275 18.748,276 3.187,277 10.445,278 2.926,279 1.091,280 0.509,281 0.371,282 0.302,283 0.302,284 3.609,285 2,288 1,289 1,290 263,291 2.828,295 84.278,299 72.384,302 1.185,303 27.599,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41.167,315 129,316 4.541,317 3.577,318 6.849,319 4.166,320 3.218,321 4.203,322 1.51,323 11.304,324 3.034,325 3.798,326 3.232,327 5.667,328 3.347,329 2.452,330 3.088,331 1.284,332 7.251,333 2.182,334 3.597,335 2.935,336 5.395,337 3.225,338 2.327,339 2.908,340 0.553,341 7.056,342 2.053,343 3.206,344 2.886,345 4.792,346 2.984,347 2.139,348 2.295,349 0.247,350 5.197,351 1.774,352 3.048,353 2.333,354 4.585,355 2.666,356 1.776,357 2.132,359 4.783,360 1.523,361 2.658,362 1.804,363 4.359,364 2.362,365 1.434,366 1.675,368 3.934,369 1.277,370 1.679,371 1.163,372 3.182,373 1.465,374 0.601,375 0.628,377 1.384,378 0.509,379 1.507,380 0.874,381 2.823,382 1.015,383 0.22,384 0.266,386 0.484,387 0.144,388 1.049,389 0.51,390 2.615,391 0.695,392 -0.184,393 -0.207,395 -0.478,396 -0.146,397 0.736,398 0.293,399 2.555,400 0.405,401 -0.509,402 -0.573,404 -1.411,405 -0.436,406 0.257,407 -0.02,408 2,409 -0.004,410 -0.926,411 -0.977,413 -2,414 -0.615,415 0.131,416 -0.351,417 1.643,418 -0.3,419 -1,420 -1,422 -2.381,423 -0.7,425 -0.667,426 1.497,427 -0.333,428 -1,429 -1.223,431 -2.752,432 -0.861,433 -0.237,434 -1.055,435 1.336,436 -0.46,437 -1.381,438 -1.512,440 -3.641,441 -1.167,442 -0.274,443 -1.223,444 1.287,445 -0.76,446 -1.561,447 -1.882,449 -4.065,450 -1.343,451 8.7,452 0.483,453 0.6,454 0.033,455 20,456 1.111,457 8,458 0.444,459 12,460 0.667,461 15.223,462 0.846,463 20.7,464 0.714,465 13.413,466 0.745,467 4.059,468 0.225,469 4.427,470 0.246,471 0.287,473 0.402,475 2,479 0.636,480 1.103,481 0.507,482 0.849,483 0.589,484 0.824,485 0.68,486 0.841,487 0.597,488 0.735,489 0.642,490 0.816,491 0.866,492 0.719,493 0.894,494 0.706,495 0.802,496 0.81,497 0.888,498 0.946,499 1.216,500 1.121,501 0.701,502 1.162,503 0.622,504 0.555,505 1.157,506 1.071,507 0.519,508 1.199,509 0.88,510 0.964,511 1.001,512 1.126,513 0.932,514 1.129,515 1.321,516 1.388,517 1.036,518 1.141,519 1.418,520 1.018,521 2.273,522 1.831,523 1.487,524 1.311,525 2.64,526 1.009,527 4.5,529 2.222,530 1.625,531 1.529,532 0.528,533 0.304,534 0.224,535 0.103,536 0.031,537 2365,538 11521,539 1.931,540 37.9,542 5,543 1,545 2,547 3,550 1.59,551 1.742,552 2.837,553 0.538,555 1,557 1,559 56.019,560 1.932,561 3.767,562 4.349,563 4.487,564 4.556,565 4.556,566 2.308,567 3.461,568 4.137,569 2.986,570 456.801,571 7.041,572 4231.84,574 1,575 1,576 1,577 140.881,578 1.572,579 4.056,580 0.237,582 0.082,583 0.058,584 0.061,585 0.028,586 0.025,587 0.02,588 0.013,589 0.008,590 0.533,591 0.83,592 1,593 1.44,594 75.225,595 -0.082,596 -0.122,597 -0.009,598 -0.004,599 -0.083,600 0.02,601 0.115,602 0.187,603 0.049,604 0.141,605 0.154,606 0.064,607 -0.08,608 0.152,609 -0.028,610 0.198,611 -0.087,612 0.116,613 -0.162,614 -0.153,615 -0.189,616 -0.179,617 -0.103,618 -0.235,619 0.152,620 0.169,621 -0.049,622 -0.129,623 0.11,624 -0.233,625 -0.016,626 -0.171,627 -0.017,628 -0.132,629 -0.065,630 -0.031,631 -0.138,632 -0.346,633 0.008,634 -0.095,635 -0.114,636 0.06,637 -0.21,638 -0.211,639 -0.088,640 -0.13,641 -0.226,642 -0.011,643 3.777,644 4.134,645 0.556,646 12,647 1.044,648 1.157,649 3.476,650 12.084,651 0.696,652 2.996,653 3.332,654 3.555,655 3.829,656 4.06,657 4.043,658 4.078,659 4.043,660 4.025,661 3.555,662 4.473,663 0.677,664 294.15,665 2.996,666 4.533,667 5.371,668 6.26,669 7.127,670 8.021,671 8.902,672 9.798,673 10.685,674 11.584,675 10.3,677 1,680 1,684 1,688 2,693 4,695 6,707 1,713 2,714 29,716 7,717 1,718 19,720 30,721 11,722 6,723 4,724 2,729 1,730 2,731 3,732 2,734 1,736 2,740 1,743 1,745 7,746 4,750 1,758 1,759 1,761 1,762 2,764 11,765 5,766 2,767 7,768 2,773 3,777 0.5,793 2,797 1,814 1,819 1,823 1,824 2,825 2,827 18,833 1,834 2,837 2,846 4,854 10.333,855 5.355,856 3.944,857 1.644,858 1.609,859 1.259,860 0.96,861 4.175,862 7.828,863 3.178,864 3.75,865 4.245,866 4.774,867 5.295,868 5.441,869 5.617,870 5.843,871 6.052,872 5.786,873 0.8,874 28,875 6.689,877 2.897,878 8.318,879 12.079,881 9.695,883 2.818,884 50.722,888 105.94,889 52.841,890 52.807,891 78.297,893 29.92,895 52.841,896 184.237,897 82.727,898 8.825,899 2.106,900 45.078,901 18.011,902 59.649,903 13.67,904 94.169,905 78.297,906 105.94,907 105.648,908 29.92,909 78.297,911 70.627,912 65.234,914 8.115,915 45.727,916 33.795,917 96.308,919 135.86,920 52.807,921 131.138,924 114.055,925 16.948,926 27.778,927 36.022,928 125.003,929 105.94,930 82.727,931 131.138,933 0.589,934 0.329,935 0.177,936 0.105,937 13,938 7,939 0.067,940 2,941 1,942 1.2,943 2.896,944 126.695,945 0.2,946 10,947 73.059,951 13.686,952 5.491,953 3.002,955 82.727,956 3.34,961 2.411,963 36.022,964 319.805,965 23,973 4.215,974 0.277,975 30.28,976 33.554,977 0.398,978 0.775,979 0.895,980 0.924,981 0.938,982 0.938,983 4.437,984 0.22,985 5.389,986 1.384,987 4.007,988 4.431,989 2.222,990 6.221,991 3.8,992 5.65,993 -0.184,994 6.969,995 0.484,996 3.761,997 4.369,998 0.623,999 7.2,1000 3.398,1001 6.965,1002 -0.509,1003 8.649,1004 -0.478,1005 5.617,1006 6.577,1007 2.744,1008 10.311,1009 5.271,1010 8.314,1011 -0.926,1012 10.386,1013 -1.411,1014 6.111,1015 7.278,1016 1.178,1017 12.128,1018 5.648,1019 9.694,1020 -1,1021 12.163,1022 -2,1023 7.522,1024 9.047,1025 3.418,1026 14.802,1027 7.068,1028 11.096,1029 -1,1030 13.968,1031 -2.381,1032 8.373,1033 10.119,1034 1.7,1035 16.984,1036 7.839,1037 12.518,1038 -1.381,1039 15.796,1040 -2.752,1041 9.619,1042 11.706,1043 4.155,1044 19.5,1045 9.071,1046 3.218,1047 -1.561,1048 17.642,1049 -3.641,1050 10.641,1051 12.963,1052 2.213,1053 21.832,1054 10.032,1055 2.452,1056 11.304,1057 19.504,1058 -4.065,1059 11.828,1060 14.469,1061 4.926,1062 24.29,1063 11.187,1064 2.327,1065 7.251,1066 21.377,1067 4.203,1068 12.931,1069 15.816,1070 2.722,1071 26.68,1072 12.233,1073 2.139,1074 7.056,1075 23.26,1076 3.088,1077 14.1,1078 17.286,1079 5.716,1080 29.117,1081 13.359,1082 1.776,1083 5.197,1084 25.151,1085 2.908,1086 15.238,1087 18.678,1088 3.229,1089 31.529,1090 14.442,1091 1.434,1092 4.783,1093 27.049,1094 2.295,1095 16.403,1096 20.129,1097 6.517,1098 33.958,1099 15.557,1100 0.601,1101 3.934,1102 28.952,1103 2.132,1104 17.558,1105 21.543,1106 3.735,1107 36.378,1108 16.655,1109 2503,1110 5577,1111 11.849,1112 20.176,1113 28.7,1114 29.42,1115 29.871,1116 28.482,1117 28.334,1118 34.392,1119 7.189,1120 82.79,1121 24.994,1122 5.445,1123 5.577,1124 6.168,1125 5.238,1126 5.218,1127 7.203,1128 3.02,1129 18.487,1130 5.034,1131 11.102,1132 1.511,1133 1.548,1134 1.572,1135 1.499,1136 1.491,1137 1.81,1138 0.378,1139 4.357,1140 1.315,1141 4.002,1142 4.033,1143 4.127,1144 3.928,1145 8.362,1146 3.927,1147 3.634,1148 3.7,1149 3.64,1150 3.406,1151 7.999,1152 3.429,1153 3.439,1154 3.503,1155 3.617,1156 3.251,1157 5.034,1158 3.254,1159 3.177,1160 3.262,1161 3.396,1162 2.964,1163 4.669,1164 2.97,1165 2.877,1166 2.909,1167 2.973,1168 2.755,1169 4.662,1170 2.734,1171 2.752,1172 2.831,1173 2.83,1174 2.547,1175 3.988,1176 2.555,1177 2.455,1178 2.545,1179 2.641,1180 2.09,1181 3.891,1182 2.124,1183 2.284,1184 2.418,1185 2.288,1186 1.938,1187 3.727,1188 1.928,1189 0.239,1190 0.188,1191 0.36,1192 0.219,1193 0.169,1194 4.541,1195 0.221,1196 3.577,1197 0.079,1198 6.849,1199 0.595,1200 4.166,1201 0.16,1202 3.218,1203 4.203,1204 1.51,1205 11.304,1206 3.034,1207 1.944,1208 1.923,1209 2.003,1210 2.054,1211 1.219,1212 2.047,1213 1.538,1214 1.472,1215 1.722,1216 1.792,1217 0.928,1218 1.775,1219 1.405,1220 1.336,1221 1.671,1222 1.609,1223 0.802,1224 1.635,1225 1.087,1226 1.011,1227 1.306,1228 1.39,1229 0.336,1230 1.374,1231 0.792,1232 0.767,1233 0.932,1234 1.016,1235 0.095,1236 0.989,1237 0.68,1238 0.615,1239 0.892,1240 0.91,1242 0.946,1243 0.344,1244 0.233,1245 0.681,1246 0.675,1248 0.683,1249 0.236,1250 0.099,1251 0.642,1252 0.595,1254 0.638,1255 3.664,1257 4.99,1259 6.515,1261 8.146,1263 9.842,1265 1.825,1266 12.131,1267 24.268,1271 -0.466,1272 5.407,1275 -2.686,1280 19.647,1281 56.019,1282 109.23,1283 126.127,1284 130.127,1285 132.127,1286 132.127,1287 34.875,1288 6.219,1289 36.42,1290 36.42,1291 12,1292 12.109,1293 3,1294 2.322,1295 30.897,1296 49,1297 48,1298 0.338,1299 129.235,1300 228.24,1301 307.093,1302 3157,1303 13.8,1304 13.284,1305 0.738,1306 0.61,1307 12.707,1308 10.987,1309 8.486,1310 0.447,1311 0.321,1312 5.283,1313 7.479,1314 5.128,1315 4.172,1316 8.208,1317 6.091,1318 8.059,1319 0.298,1320 0.173,1321 7.618,1322 4.683,1323 6.08,1324 0.179,1325 0.094,1326 6.32,1327 3.194,1328 5.075,1329 0.113,1330 0.051,1331 5.548,1332 2.303,1333 4.233,1334 0.074,1335 0.028,1336 4.652,1337 1.589,1338 0.506,1339 60.27,1340 0.291,1341 17.751,1342 0.995,1343 92,1344 414.94,1345 137.373,1346 403.545,1347 505.77,1348 374,1349 107,1350 297.134,1351 141.757,1352 308.719,1353 461.1,1354 291,1355 5} {0 CHEMBL271298,1 1.699,2 5.867,3 3.334,4 11.112,5 64.031,6 9.39,7 0.375,8 3.373,9 3.498,10 3.129,11 2.951,12 4.471,13 2.918,14 3.885,15 4.068,16 3.558,17 3.346,18 4.975,19 3.287,20 4.088,21 4.275,22 3.857,23 3.51,24 5.215,25 3.427,26 4.079,27 4.264,28 3.645,29 3.425,30 5.205,31 3.32,32 4.056,33 4.287,34 3.276,35 3.259,36 5.09,37 3.078,38 3.788,39 4.077,40 2.599,41 2.849,42 4.627,43 2.58,44 3.32,45 3.664,46 2.244,47 2.287,48 4.054,49 2.005,50 2.527,51 2.754,52 1.652,53 1.741,54 3.517,55 1.444,56 0.052,57 0.385,58 3.738,59 2.029,60 4.461,61 2.63,62 0.176,63 0.59,64 9.218,65 3.735,66 12.2,67 4.908,68 0.257,69 0.662,70 17.659,71 4.693,72 22.62,73 5.883,74 0.285,75 0.616,76 15.611,77 4.46,78 23.265,79 5.616,80 0.341,81 0.522,82 21.094,83 5.035,84 28.796,85 6.42,86 0.23,87 0.357,88 17.788,89 4.503,90 21.085,91 6.026,92 0.151,93 0.193,94 11.877,95 2.985,96 13.659,97 4.148,98 0.095,99 0.054,100 8.447,101 1.467,102 9.296,103 1.718,104 18,105 23,106 0.343,107 0.719,108 0.844,109 0.875,110 0.875,111 0.875,112 2.798,113 1.011,114 -4.17,115 -4.11,116 -3.89,119 38.5,120 1,124 1,127 1,140 2,141 1,142 3,157 1,169 1,172 2,174 2,175 1,176 2,178 4,186 1,189 5,193 2,197 5,199 3,203 2,208 2,211 2,220 1,231 1,259 177,260 9.87,261 9.87,262 9.87,263 9.87,264 9.87,265 8.805,266 13.526,267 5.59,268 10.286,269 7.779,270 7.779,271 7.779,272 7.779,273 7.779,274 6.121,275 18.28,276 2.536,277 8.57,278 3.001,279 1.14,280 0.52,281 0.366,282 0.366,283 0.366,284 3.436,285 2,288 1,289 1,290 180,291 2,295 63.148,299 54.376,302 1.076,303 12.758,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 32.167,315 88,316 4.53,317 3.592,318 6.822,319 4.15,320 3.205,321 4.194,322 1.284,323 11.167,324 3.02,325 3.871,326 3.11,327 5.699,328 3.401,329 2.526,330 3.198,331 0.553,332 7.539,333 2.17,334 3.422,335 2.603,336 5.209,337 3.012,338 2.086,339 2.69,340 0.247,341 6.201,342 1.941,343 3.239,344 2.252,345 5.079,346 2.919,347 1.988,348 2.418,350 5.845,351 1.753,352 2.588,353 2.025,354 4.186,355 2.243,356 1.343,357 1.602,359 3.451,360 1.16,361 1.603,362 0.95,363 3.038,364 1.397,365 0.494,366 0.527,368 0.837,369 0.44,370 1.492,371 0.862,372 2.876,373 0.995,374 0.229,375 0.27,377 0.471,378 0.141,379 1.015,380 0.225,381 2.561,382 0.639,383 -0.227,384 -0.259,386 -0.532,387 -0.18,388 0.804,389 -0.036,390 2.411,391 0.44,392 -0.472,393 -0.554,395 -1.262,396 -0.402,397 0.135,398 -0.514,399 1.777,400 -0.115,401 -1,402 -1.095,404 -2.364,405 -0.757,406 -0.127,407 -0.891,408 1.513,409 -0.474,410 -1.319,411 -1.501,413 -3.345,414 -1.006,415 -0.167,416 -1.124,417 1.352,418 -0.686,419 -1.41,420 -1.716,422 -4.052,423 -1.202,424 -0.395,425 -1.238,426 1.242,427 -0.739,428 -1.62,429 -2.013,431 -4.627,432 -1.516,433 -0.5,434 -1.497,435 1.06,436 -0.909,437 -1.822,438 -2.24,439 -0.405,440 -5.291,441 -1.689,442 -0.669,443 -1.62,444 0.711,445 -1,446 -2,447 -2.519,448 -0.647,449 -6.869,450 -1.875,451 7.629,452 0.509,453 0.456,454 0.03,455 18,456 1.2,457 8,458 0.533,459 10,460 0.667,461 11.844,462 0.79,463 16.371,464 0.63,465 10.321,466 0.688,467 3.541,468 0.236,469 3.589,470 0.239,471 0.318,473 0.393,479 0.779,480 1.41,481 0.522,482 0.802,483 0.729,484 0.809,485 0.673,486 0.883,487 0.536,488 0.625,489 0.602,490 0.687,491 1,492 1.126,493 0.704,494 0.727,495 0.901,496 0.771,497 1.181,498 1.232,499 1.081,500 1.11,501 1.078,502 1.129,503 1.205,504 0.987,505 1.322,506 1.271,507 1.195,508 1.274,509 0.78,510 0.881,511 1.054,512 1.187,513 0.987,514 1.186,515 0.382,516 0.556,517 0.624,518 0.724,519 0.493,520 0.699,521 2.274,522 0.598,523 2.84,524 1.805,525 2.471,526 1.513,527 3.5,529 2,530 1.625,531 1.329,532 0.354,533 0.182,534 0.059,537 1338,538 4860,539 1.955,540 42.3,542 6,545 2,547 3,550 1.538,551 1.765,552 2.574,553 0.561,557 1,559 44.184,560 1.699,561 3.56,562 4.181,563 4.335,564 4.335,565 4.335,566 2.232,567 3.774,568 3.879,569 2.619,570 275.035,571 6.533,572 2195.13,574 1,576 1,577 122.211,578 1.566,579 3.796,580 0.219,582 0.087,583 0.065,584 0.066,585 0.03,586 0.036,587 0.02,590 0.523,591 1,592 1,593 1.029,594 56.752,595 -0.115,596 -0.169,597 -0.005,598 0.003,599 -0.153,600 0.019,601 0.105,602 0.261,603 0.112,604 0.228,605 0.113,606 0.193,607 -0.041,608 -0.057,609 0.171,610 0.183,611 0.036,612 0.131,613 -0.136,614 -0.172,615 -0.142,616 -0.205,617 -0.084,618 -0.246,619 -0.139,620 -0.076,621 -0.243,622 -0.288,623 -0.132,624 -0.307,625 0.072,626 -0.126,627 -0.045,628 -0.15,629 -0.061,630 -0.107,631 0.399,632 0.086,633 0.38,634 0.361,635 0.389,636 0.468,637 -0.545,638 -0.076,639 -0.69,640 -0.454,641 -0.527,642 -0.329,643 1.324,644 2.024,645 0.667,646 7.253,647 1.014,648 1.133,649 2.941,650 8.648,651 0.713,652 2.833,653 3.178,654 3.466,655 3.714,656 3.912,657 3.892,658 3.85,659 3.664,660 3.497,661 2.89,662 3.578,663 0.667,664 244.14,665 2.833,666 4.369,667 5.231,668 6.125,669 7.006,670 7.904,671 8.791,672 9.69,673 10.579,674 11.479,675 11.5,677 1,680 1,684 1,688 2,693 4,695 6,707 1,713 2,714 26,716 7,717 1,718 16,720 27,721 10,722 6,723 4,724 2,730 2,731 3,732 2,734 1,736 1,740 1,743 1,745 7,746 3,750 1,758 1,759 1,761 1,764 11,765 3,766 2,767 5,768 2,773 3,777 0.5,793 2,797 1,814 1,819 1,823 2,824 2,827 15,834 2,837 1,846 2,854 8.5,855 5.236,856 3.361,857 1.508,858 1.614,859 1.274,860 0.965,861 2.977,862 7.503,863 3.045,864 3.651,865 4.201,866 4.717,867 5.225,868 5.394,869 5.568,870 5.715,871 5.817,872 5.328,873 1,874 25,875 5.489,876 -0.001,877 2.27,878 7.759,879 10.396,881 8.307,883 2.259,884 33.889,885 0.003,888 105.94,889 51.017,890 52.807,891 78.297,895 51.017,896 184.237,897 52.807,898 17.222,900 36.963,901 18.011,902 29.729,903 1.899,904 105.94,905 78.297,906 105.94,907 103.824,909 78.297,911 70.627,912 35.313,915 43.621,916 42.192,917 96.308,919 105.94,920 52.807,921 129.314,924 105.94,925 14.843,926 36.174,927 36.022,928 95.083,929 105.94,930 52.807,931 129.314,933 0.59,934 0.365,935 0.194,936 0.106,937 12,938 6,939 0.037,940 1,941 1,942 1.2,943 2.583,944 100.431,945 0.2,946 10,947 58.603,951 10.893,952 4.1,953 1.881,955 52.807,956 3.688,961 3.041,963 36.022,964 288.061,965 20,973 4.395,974 0.744,975 26.371,976 29.459,977 0.362,978 0.757,979 0.889,980 0.922,981 0.922,982 0.922,983 4.297,984 -0.227,985 5.252,986 0.471,987 3.85,988 4.331,989 1.54,990 6.111,991 3.667,992 5.526,993 -0.472,994 6.853,995 -0.532,996 3.611,997 4.29,998 0.623,999 7.125,1000 3.295,1001 6.859,1002 -1,1003 8.553,1004 -1.262,1005 5.493,1006 6.531,1007 1.639,1008 10.244,1009 5.177,1010 8.226,1011 -1.319,1012 10.308,1013 -2.364,1014 6.019,1015 7.25,1016 1.178,1017 12.058,1018 5.584,1019 9.622,1020 -1.41,1021 12.098,1022 -3.345,1023 7.433,1024 9.027,1025 1.916,1026 14.731,1027 7,1028 11.038,1029 -1.62,1030 13.912,1031 -4.052,1032 8.309,1033 10.104,1034 1.7,1035 16.895,1036 7.786,1037 12.471,1038 -1.822,1039 15.746,1040 -4.627,1041 9.554,1042 11.693,1043 2.274,1044 19.409,1045 9.014,1046 3.205,1047 -2,1048 17.596,1049 -5.291,1050 10.59,1051 12.949,1052 2.213,1053 21.721,1054 9.979,1055 2.526,1056 11.167,1057 19.458,1058 -6.869,1059 11.776,1060 14.455,1061 2.679,1062 24.173,1063 11.132,1064 2.086,1065 7.539,1066 21.331,1067 4.194,1068 12.882,1069 15.799,1070 2.722,1071 26.545,1072 12.177,1073 1.988,1074 6.201,1075 23.212,1076 3.198,1077 14.048,1078 17.267,1079 3.115,1080 28.973,1081 13.301,1082 1.343,1083 5.845,1084 25.101,1085 2.69,1086 15.186,1087 18.655,1088 3.229,1089 31.37,1090 14.38,1091 0.494,1092 3.451,1093 26.995,1094 2.418,1095 16.347,1096 20.105,1097 3.574,1098 33.789,1099 15.492,1100 0.229,1101 0.837,1102 28.894,1103 1.602,1104 17.498,1105 21.515,1106 3.735,1107 36.195,1108 16.586,1109 1441,1110 2827,1111 10.057,1112 18.54,1113 23.991,1114 24.926,1115 25.567,1116 23.807,1117 23.741,1118 29.795,1119 4.169,1120 71.019,1121 21.252,1122 5.371,1123 5.592,1124 6.357,1125 5.221,1126 5.205,1127 7.194,1128 2.316,1129 18.333,1130 5.02,1131 8.442,1132 1.499,1133 1.558,1134 1.598,1135 1.488,1136 1.484,1137 1.862,1138 0.261,1139 4.439,1140 1.328,1141 3.999,1142 4.03,1143 4.147,1144 3.927,1145 5.054,1146 3.925,1147 3.555,1148 3.62,1149 3.649,1150 3.371,1151 4.732,1152 3.382,1153 3.329,1154 3.424,1155 3.397,1156 3.113,1157 4.482,1158 3.108,1159 3.054,1160 3.141,1161 3.183,1162 2.88,1163 4.197,1164 2.866,1165 2.823,1166 2.876,1167 3.088,1168 2.68,1169 4.049,1170 2.651,1171 2.62,1172 2.669,1173 2.69,1174 2.485,1175 3.729,1176 2.479,1177 2.283,1178 2.42,1179 2.335,1180 1.941,1181 3.401,1182 1.929,1183 1.991,1184 2.156,1185 2.133,1186 1.697,1187 3.086,1188 1.623,1189 0.283,1190 0.224,1191 0.426,1192 0.259,1193 0.2,1194 4.53,1195 0.262,1196 3.592,1197 0.08,1198 6.822,1199 0.698,1200 4.15,1201 0.189,1202 3.205,1203 4.194,1204 1.284,1205 11.167,1206 3.02,1207 1.944,1208 1.923,1209 2.007,1210 2.054,1211 1.218,1212 2.049,1213 1.491,1214 1.428,1215 1.698,1216 1.709,1217 0.804,1218 1.714,1219 1.326,1220 1.229,1221 1.663,1222 1.575,1223 0.694,1224 1.612,1225 1.001,1226 0.926,1227 1.247,1228 1.276,1229 0.287,1230 1.288,1231 0.804,1232 0.75,1233 0.96,1234 0.953,1235 0.127,1236 0.99,1237 0.572,1238 0.524,1239 0.767,1240 0.765,1242 0.782,1243 0.24,1244 0.102,1245 0.644,1246 0.607,1248 0.647,1251 0.486,1252 0.397,1254 0.442,1255 3.497,1257 4.828,1259 6.382,1261 8.042,1263 9.757,1265 3.806,1266 12.093,1272 6.113,1275 0.009,1280 17.353,1281 44.184,1282 92.56,1283 108.702,1284 112.702,1285 112.702,1286 112.702,1287 19.242,1288 5.889,1289 36.42,1290 36.42,1291 12,1292 12.003,1293 3,1294 2.322,1295 23.398,1296 33,1297 33,1298 0.396,1299 117.246,1300 198.8,1301 277.841,1302 1987,1303 7.7,1304 11,1305 0.733,1306 0.663,1307 12,1308 9.947,1309 7.13,1310 0.446,1311 0.337,1312 4.638,1313 6.37,1314 4.398,1315 3.662,1316 7.708,1317 5.392,1318 6.474,1319 0.281,1320 0.18,1321 7.178,1322 4.136,1323 5.617,1324 0.181,1325 0.103,1326 6.585,1327 3.182,1328 4.539,1329 0.113,1330 0.053,1331 5.118,1332 2.116,1333 3.544,1334 0.072,1335 0.028,1336 4,1337 1.352,1338 0.569,1339 50.506,1340 0.315,1341 14.613,1342 1.246,1343 78,1344 228.718,1345 114.7,1346 284.607,1347 371.85,1348 264,1349 93,1350 230.852,1351 127.677,1352 254.036,1353 375.64,1354 239,1355 6.343} {0 CHEMBL27173,1 1.434,2 6.188,3 2.065,4 4.265,5 64.746,6 6.76,7 0.556,8 3.574,9 3.705,10 3.07,11 3.111,12 4.56,13 3.079,14 4.131,15 4.308,16 3.412,17 3.535,18 5.034,19 3.471,20 4.368,21 4.598,22 3.432,23 3.641,24 5.19,25 3.541,26 4.319,27 4.537,28 3.34,29 3.599,30 5.155,31 3.485,32 4.289,33 4.528,34 3.143,35 3.468,36 5.135,37 3.317,38 4.238,39 4.533,40 2.687,41 3.206,42 4.958,43 3.002,44 3.938,45 4.268,46 2.141,47 2.77,48 4.701,49 2.514,50 3.503,51 3.886,52 1.253,53 2.155,54 4.078,55 1.829,56 0.042,57 0.469,58 7.537,59 3.002,60 5.437,61 4.173,62 0.1,63 0.755,64 13.716,65 5.363,66 10.778,67 7.45,68 0.148,69 0.887,70 17.881,71 6.756,72 15.99,73 9.584,74 0.132,75 0.865,76 16.886,77 6.387,78 14.394,79 9.12,80 0.181,81 0.825,82 16.54,83 5.988,84 17.088,85 8.802,86 0.182,87 0.696,88 16.375,89 5.28,90 16.953,91 7.976,92 0.193,93 0.487,94 12.344,95 3.712,96 19.6,97 5.827,98 0.112,99 0.279,100 8.126,101 2.337,102 11.128,103 3.739,104 4,105 25,106 0.271,107 0.658,108 0.84,109 0.875,110 0.875,111 0.875,112 2.857,113 0.974,114 -2.69,115 -2.71,116 -2.63,119 40.6,121 3,125 2,140 2,141 3,142 1,149 1,150 1,161 1,162 1,163 1,169 6,172 3,176 4,178 6,180 1,182 3,186 4,189 7,191 1,193 1,197 2,199 6,201 1,203 1,206 1,207 1,208 2,210 1,211 3,213 1,220 2,224 2,228 1,229 1,231 2,235 2,259 242,260 11.284,261 11.284,262 11.284,263 11.284,264 11.284,265 10.134,266 10.932,267 6.804,268 11.487,269 8.874,270 8.874,271 8.874,272 8.874,273 8.874,274 7.028,275 10.452,276 3.127,277 9.199,278 3.566,279 1.523,280 0.563,281 0.375,282 0.375,283 0.375,284 3.536,288 1,289 1,290 215,291 2.121,294 22.833,295 52.553,298 39.611,299 44.78,302 0.859,303 9.768,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 34,315 99,316 4.679,317 3.398,318 6.91,319 4.234,320 3.249,321 4.639,322 0.86,323 11.625,324 3.201,325 3.876,326 2.848,327 5.878,328 3.503,329 2.546,330 3.336,332 8.119,333 2.435,334 3.403,335 2.169,336 5.128,337 2.992,338 2.011,339 2.765,341 5.988,342 1.97,343 2.934,344 2.028,345 4.64,346 2.611,347 1.645,348 2.068,350 4.635,351 1.584,352 2.556,353 1.651,354 3.749,355 2.397,356 1.443,357 1.562,359 3.092,360 1.368,361 2.304,362 1.261,363 3.567,364 2.041,365 1.086,366 1.264,368 2.123,369 1.034,370 2.053,371 0.988,372 3.302,373 1.758,374 0.824,375 0.995,377 2.017,378 0.764,379 1.912,380 0.787,381 3.046,382 1.603,383 0.653,384 0.803,386 1.349,387 0.617,388 0.906,389 -0.004,390 2.398,391 0.644,392 -0.31,393 -0.353,395 -0.566,396 -0.294,397 0.795,398 -0.197,399 2.29,400 0.45,401 -0.507,402 -0.605,404 -1.257,405 -0.479,406 0.429,407 -0.546,408 2,409 0.183,410 -0.769,411 -0.864,413 -1.712,414 -0.728,415 0.173,416 -0.999,417 2,418 -0.1,419 -1.074,420 -1.345,422 -2.687,423 -1.046,424 -0.073,425 -1.154,426 1.704,427 -0.436,428 -1.382,429 -1.657,431 -3.645,432 -1.287,433 -0.248,434 -1.424,435 1.262,436 -0.624,437 -1.594,438 -2.067,440 -4.481,441 -1.53,442 -0.5,443 -1.681,444 0.903,445 -0.887,446 -1.878,447 -2.147,449 -5.078,450 -1.833,451 7.633,452 0.477,453 0.274,454 0.017,455 18.75,456 1.172,457 8.5,458 0.531,459 10.25,460 0.641,461 12.058,462 0.754,463 17.567,464 0.549,465 10.307,466 0.644,467 3.534,468 0.221,469 4.364,470 0.273,471 0.052,473 0.328,479 1.037,480 1.124,481 0.898,482 1.009,483 1.15,484 0.937,485 1.148,486 1.065,487 0.954,488 1.022,489 0.967,490 0.976,491 1.041,492 0.936,493 0.887,494 0.924,495 0.864,496 0.898,497 1.036,498 1.151,499 1.072,500 1.132,501 0.848,502 1.115,503 0.707,504 1.245,505 1.177,506 1.327,507 0.852,508 1.308,509 1.209,510 1.038,511 1.135,512 1.036,513 1.096,514 1.074,515 0.973,516 0.889,517 1.064,518 0.926,519 1.194,520 0.991,521 1.07,522 0.549,523 0.816,524 0.555,525 1.391,526 0.639,527 2,529 1.778,530 1.097,531 0.872,532 0.309,533 0.145,534 0.071,535 0.02,537 1841,538 3965,539 2.174,540 50,541 2,542 6,543 1,545 3,547 4,550 1.558,551 2.087,552 2.657,553 1.189,555 1,556 1,557 1,559 45.894,560 1.434,561 3.477,562 4.438,563 4.625,564 4.625,565 4.625,566 2.108,567 3.703,568 3.971,569 2.691,570 322.939,571 6.72,572 2694.81,574 1,576 1,577 160,578 1.198,579 3.954,580 0.111,582 0.071,583 0.044,584 0.04,585 0.019,586 0.016,587 0.018,588 0.02,590 0.339,591 1,592 1,593 1,594 62.318,595 -0.086,596 0.095,597 0.045,598 0.076,599 -0.121,600 0.084,601 -0.095,602 0.024,603 0.003,604 0.032,605 -0.067,606 0.032,607 -0.053,608 0.052,609 0.075,610 0.09,611 -0.021,612 0.097,613 -0.1,614 -0.133,615 -0.121,616 -0.116,617 -0.079,618 -0.123,619 0.127,620 -0.229,621 -0.231,622 -0.354,623 0.019,624 -0.339,625 -0.133,626 -0.149,627 -0.149,628 -0.126,629 -0.091,630 -0.14,631 0.072,632 -0.039,633 -0.067,634 -0.062,635 0.107,636 -0.079,637 -0.052,638 0.187,639 0.198,640 0.274,641 -0.076,642 0.267,643 0.808,644 2.189,645 0.813,646 7.547,647 0.991,648 1.129,649 1.459,650 2.128,651 0.65,652 2.944,653 3.258,654 3.611,655 3.951,656 4.174,657 4.22,658 4.304,659 4.357,660 4.277,661 4.043,662 3.741,663 0.608,664 216.31,665 2.944,666 4.466,667 5.342,668 6.24,669 7.141,670 8.05,671 8.958,672 9.869,673 10.779,674 11.691,675 6.3,676 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 32,716 10,717 1,718 18,720 34,721 13,722 8,723 4,724 2,730 3,731 6,736 1,740 2,743 3,745 8,746 5,761 1,764 16,765 2,766 3,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,812 1,819 1,827 16,828 1,833 5,835 1,847 3.1,852 1,854 7.667,855 5.5,856 3.611,857 2.049,858 2.141,859 1.33,860 1.037,861 2.518,862 8.637,863 3.178,864 3.812,865 4.509,866 5.186,867 5.698,868 6.044,869 6.406,870 6.735,871 6.675,872 6.603,873 1,874 25,875 5.921,877 2.515,878 7.49,879 11.744,881 10.004,883 1.99,884 31.833,885 0.006,888 153.024,889 58.633,890 49.683,892 11,895 58.633,896 164.024,897 49.683,899 47.199,900 28,902 41.973,903 13.915,904 141.253,906 153.024,907 108.316,908 11,911 105.94,912 58.084,915 63.984,916 44.332,919 153.024,920 60.683,921 58.633,924 153.024,925 30.633,926 28,927 16.786,928 43.897,929 153.024,930 60.683,931 58.633,933 0.565,934 0.35,935 0.216,936 0.122,937 14,938 5,939 0.059,940 2,941 2,942 1.308,943 2.85,944 115.69,945 0.308,946 13,947 64,951 10.027,952 4.017,953 1.609,954 2.537,955 43.897,956 6.242,958 3.312,961 3.727,963 49.683,964 272.34,965 23,975 31.716,976 36.112,977 0.287,978 0.695,979 0.888,980 0.925,981 0.925,982 0.925,983 4.401,984 0.653,985 5.313,986 2.017,987 3.932,988 4.494,989 0.908,990 6.172,991 3.869,992 5.601,993 -0.31,994 6.889,995 1.349,996 3.434,997 4.407,999 7.186,1000 3.374,1001 6.926,1002 -0.507,1003 8.575,1004 -0.566,1005 5.541,1006 6.818,1007 0.739,1008 10.359,1009 5.439,1010 8.301,1011 -0.769,1012 10.331,1013 -1.257,1014 5.969,1015 7.667,1017 12.269,1018 5.871,1019 9.719,1020 -1.074,1021 12.132,1022 -1.712,1023 7.494,1024 9.52,1025 0.593,1026 14.948,1027 7.365,1028 11.166,1029 -1.382,1030 13.964,1031 -2.687,1032 8.346,1033 10.766,1035 17.196,1036 8.218,1037 12.636,1038 -1.594,1039 15.818,1040 -3.645,1041 9.645,1042 12.417,1043 0.469,1044 19.722,1045 9.495,1046 3.249,1047 -1.878,1048 17.688,1049 -4.481,1050 10.685,1051 13.832,1053 22.097,1054 10.53,1055 2.546,1056 11.625,1057 19.571,1058 -5.078,1059 11.9,1060 15.409,1061 0.366,1062 24.573,1063 11.728,1064 2.011,1065 8.119,1066 21.463,1067 4.639,1068 13.018,1069 16.894,1071 26.996,1072 12.838,1073 1.645,1074 5.988,1075 23.363,1076 3.336,1077 14.204,1078 18.443,1079 0.283,1080 29.456,1081 14.01,1082 1.443,1083 4.635,1084 25.268,1085 2.765,1086 15.356,1087 19.956,1089 31.897,1090 15.151,1091 1.086,1092 3.092,1093 27.179,1094 2.068,1095 16.533,1096 21.496,1097 0.217,1098 34.352,1099 16.315,1100 0.824,1101 2.123,1102 29.093,1103 1.562,1104 17.699,1105 23.021,1107 36.8,1108 17.468,1109 1829,1110 2740,1111 12.425,1112 20.796,1113 26.991,1114 27.166,1115 27.995,1116 26.9,1117 26.911,1118 34.861,1119 1.72,1120 77.895,1121 25.947,1122 5.624,1123 5.398,1124 6.676,1125 5.317,1126 5.249,1127 7.639,1128 1.72,1129 18.897,1130 5.201,1131 4.763,1132 1.499,1133 1.509,1134 1.555,1135 1.494,1136 1.495,1137 1.937,1138 0.096,1139 4.328,1140 1.441,1141 4.153,1142 4.181,1143 4.114,1144 4.072,1145 5.033,1146 4.079,1147 3.682,1148 3.732,1149 3.571,1150 3.527,1151 4.953,1152 3.528,1153 3.491,1154 3.578,1155 3.326,1156 3.326,1157 4.593,1158 3.314,1159 3.242,1160 3.312,1161 3.096,1162 3.064,1163 4.021,1164 3.064,1165 2.952,1166 3.028,1167 2.794,1168 2.774,1169 3.761,1170 2.767,1171 2.786,1172 2.892,1173 2.6,1174 2.509,1175 3.612,1176 2.519,1177 2.56,1178 2.652,1179 2.314,1180 2.244,1181 3.3,1182 2.244,1183 2.322,1184 2.401,1185 2.143,1186 2.175,1187 2.962,1188 2.156,1189 0.26,1190 0.189,1191 0.384,1192 0.235,1193 0.18,1194 4.679,1195 0.258,1196 3.398,1197 0.048,1198 6.91,1199 0.646,1200 4.234,1201 0.178,1202 3.249,1203 4.639,1204 0.86,1205 11.625,1206 3.201,1207 1.987,1208 1.97,1209 2.081,1210 2.079,1211 1.36,1212 2.079,1213 1.65,1214 1.592,1215 1.862,1216 1.846,1217 1.123,1218 1.854,1219 1.543,1220 1.484,1221 1.767,1222 1.741,1223 0.956,1224 1.753,1225 1.247,1226 1.158,1227 1.498,1228 1.511,1229 0.576,1230 1.519,1231 0.999,1232 0.947,1233 1.272,1234 1.239,1235 0.449,1236 1.248,1237 0.833,1238 0.748,1239 1.166,1240 1.109,1241 0.244,1242 1.143,1243 0.523,1244 0.459,1245 0.929,1246 0.834,1247 0.019,1248 0.876,1249 0.503,1250 0.359,1251 0.854,1252 0.785,1254 0.807,1255 3.611,1257 4.92,1258 2.398,1259 6.457,1260 4.727,1261 8.106,1262 6.843,1263 9.814,1269 5.642,1271 4.685,1273 5.689,1280 19.445,1281 45.894,1282 111.271,1283 142,1284 148,1285 148,1286 148,1287 16.7,1288 6.495,1289 51.04,1290 51.04,1291 17,1292 12.205,1293 3.459,1294 2.585,1295 21.607,1296 35,1297 41,1298 0.322,1299 119.166,1300 194.81,1301 282.525,1302 4702,1304 10.958,1305 0.685,1306 0.578,1307 10.958,1308 9.253,1309 7.898,1310 0.439,1311 0.325,1312 5.781,1313 7.652,1314 5.682,1315 4.673,1316 7.898,1317 5.846,1318 6.749,1319 0.27,1320 0.171,1321 6.749,1322 4.269,1323 6.027,1324 0.167,1325 0.09,1326 6.027,1327 3.235,1328 5.471,1329 0.107,1330 0.049,1331 5.471,1332 2.52,1333 4.51,1334 0.07,1335 0.028,1336 4.51,1337 1.787,1338 0.465,1339 49.105,1340 0.284,1341 15.626,1342 1.008,1343 86,1344 203.381,1345 91.958,1346 197.121,1347 281.23,1348 188,1349 104,1350 214.849,1351 110.152,1352 216.939,1353 323.78,1354 207,1355 6.959} {0 CHEMBL272781,1 1.749,2 4.786,3 2.902,4 8.42,5 59.256,6 10.005,7 0.4,8 3.268,9 3.39,10 3.07,11 2.868,12 4.436,13 2.842,14 3.752,15 3.909,16 3.52,17 3.273,18 4.944,19 3.22,20 3.989,21 4.165,22 3.683,23 3.42,24 5.139,25 3.346,26 3.97,27 4.132,28 3.66,29 3.367,30 5.182,31 3.252,32 3.905,33 4.126,34 3.452,35 3.103,36 5.153,37 2.914,38 3.486,39 3.81,40 2.067,41 2.369,42 4.431,43 2.049,44 2.379,45 2.711,46 0.587,47 1.299,48 3.101,49 0.974,50 1.02,51 1.365,52 0.014,53 0.255,54 1.099,55 0.13,56 0.072,57 0.346,58 2.708,59 1.678,60 7.83,61 2.022,62 0.153,63 0.526,64 6.397,65 3.251,66 13.848,67 4.148,68 0.268,69 0.59,70 12.309,71 3.973,72 24.229,73 4.702,74 0.275,75 0.515,76 14.555,77 4.403,78 24.916,79 5.239,80 0.394,81 0.42,82 21.819,83 4.358,84 38.939,85 5.109,86 0.259,87 0.224,88 18.173,89 3.595,90 28.774,91 4.682,92 0.085,93 0.063,94 6.478,95 1.189,96 9.46,97 1.539,98 0.013,99 0.011,100 1.122,101 0.243,102 1.421,103 0.361,104 17,105 22,106 0.364,107 0.753,108 0.826,109 0.862,110 0.88,111 0.88,112 2.738,113 0.986,114 -3.89,115 -3.85,116 -3.65,119 39.1,120 1,127 1,140 2,141 1,142 3,157 1,161 1,162 1,163 1,169 1,172 2,173 1,174 2,175 1,176 1,177 1,178 5,186 2,189 4,193 2,197 5,199 2,201 2,203 2,208 2,211 3,213 2,220 2,224 2,259 140,260 9,261 9,262 9,263 9,264 9,265 7.883,266 11.423,267 5.101,268 9.38,269 7.362,270 7.362,271 7.362,272 7.362,273 7.362,274 5.708,275 15.323,276 2.391,277 8.092,278 2.775,279 0.902,280 0.555,281 0.381,282 0.294,283 0.294,284 3.369,285 2,288 1,289 1,290 137,291 1.732,295 55.767,299 48.156,302 0.704,303 14.024,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 30.167,315 67,316 4.538,317 3.569,318 6.847,319 4.162,320 3.214,321 4.202,322 1.257,323 11.291,324 3.031,325 3.728,326 2.895,327 5.666,328 3.252,329 2.346,330 3.02,331 0.533,332 7.231,333 2.093,334 3.592,335 2.874,336 5.186,337 3.178,338 2.291,339 2.905,340 0.123,341 6.375,342 2.004,343 3.058,344 2.283,345 4.651,346 2.642,347 1.74,348 2.224,350 4.673,351 1.514,352 2.649,353 1.802,354 4.359,355 2.362,356 1.434,357 1.665,359 3.934,360 1.275,361 1.519,362 0.874,363 2.9,364 1.066,365 0.252,366 0.302,368 0.565,369 0.171,370 1.076,371 0.386,372 2.792,373 0.75,374 -0.108,375 -0.119,377 -0.279,378 -0.082,379 0.836,380 0.002,381 2.56,382 0.453,383 -0.467,384 -0.539,386 -1.186,387 -0.416,388 0.318,389 -0.298,390 2,391 0.039,392 -0.895,393 -0.967,395 -2.268,396 -0.585,397 0.158,398 -0.675,399 1.516,400 -0.337,401 -1,402 -1.228,404 -2.619,405 -0.853,406 -0.242,407 -1.102,408 1.423,409 -0.563,410 -1.471,411 -1.698,413 -3.783,414 -1.188,415 -0.308,416 -1.23,417 1.315,418 -0.792,419 -1.581,420 -2.125,422 -4.251,423 -1.433,424 -0.5,425 -1.476,426 1.1,427 -0.839,428 -1.755,429 -2.136,430 -0.331,431 -5.835,432 -1.654,433 -0.598,434 -1.604,435 1,436 -1,437 -2,438 -2.504,439 -0.562,440 -6.667,441 -1.875,442 -0.825,443 -2,444 0.686,445 -1.072,446 -2,447 -3,448 -1.02,449 -7.183,450 -2,451 7.129,452 0.509,453 0.494,454 0.035,455 17.25,456 1.232,457 8,458 0.571,459 9.25,460 0.661,461 10.654,462 0.761,463 15.071,464 0.655,465 9.64,466 0.689,467 3.347,468 0.239,469 3.245,470 0.232,471 0.327,473 0.421,479 0.832,480 1.204,481 0.512,482 0.656,483 0.961,484 0.694,485 0.55,486 0.964,487 0.516,488 0.696,489 0.465,490 0.733,491 1.129,492 1.014,493 0.896,494 0.788,495 1.053,496 0.825,497 1.12,498 1.328,499 1.224,500 1.286,501 1.085,502 1.229,503 1.212,504 0.996,505 1.304,506 1.281,507 1.249,508 1.311,509 0.992,510 0.63,511 1.276,512 1.159,513 1.06,514 1.086,515 1.22,516 0.384,517 1.453,518 1.097,519 1.415,520 1.046,527 3.5,529 2,530 1.625,531 1.249,532 0.326,533 0.04,537 1069,538 4289,539 1.952,540 39.1,542 3,545 3,547 3,550 1.519,551 1.75,552 2.357,553 1.453,557 1,559 40.228,560 1.749,561 3.621,562 3.969,563 4.143,564 4.23,565 4.23,566 1.788,567 2.896,568 3.786,569 2.368,570 215.527,571 6.354,572 1690.23,574 1,577 104.042,578 1.557,579 3.689,580 0.233,582 0.091,583 0.071,584 0.066,585 0.033,586 0.02,590 0.513,591 1,592 1,593 0.788,594 50.716,595 -0.179,596 0.021,597 -0.019,598 0.109,599 -0.266,600 0.086,601 0.16,602 0.16,603 0.104,604 0.143,605 0.204,606 0.131,607 -0.195,608 0.052,609 -0.048,610 0.099,611 -0.195,612 0.049,613 -0.077,614 -0.366,615 -0.157,616 -0.324,617 -0.073,618 -0.309,619 -0.03,620 -0.131,621 -0.087,622 -0.26,623 -0.031,624 -0.325,625 0.046,626 0.007,627 -0.046,628 -0.013,629 0.075,630 0.119,631 -0.144,632 0.188,633 -0.137,634 0.101,635 -0.229,636 0.215,637 0.609,638 0.458,639 0.883,640 1.214,641 0.693,642 1.462,643 1.391,644 1.937,645 0.714,646 5.429,647 1.021,648 1.132,649 2.66,650 7.074,651 0.73,652 2.773,653 3.135,654 3.401,655 3.689,656 3.871,657 3.761,658 3.584,659 3.434,660 3.332,661 2.708,662 3.207,663 0.688,664 230.11,665 2.773,666 4.317,667 5.176,668 6.08,669 6.959,670 7.864,671 8.749,672 9.652,673 10.54,674 11.442,675 13,676 1,680 1,684 1,688 2,693 4,695 6,707 1,713 2,714 23,716 7,717 1,718 15,720 24,721 9,722 6,723 4,724 2,730 2,731 3,732 2,734 1,736 1,740 1,743 1,745 7,746 2,750 1,758 1,759 1,761 1,764 9,765 3,766 3,767 5,768 2,773 3,777 0.5,793 2,797 1,812 1,819 1,823 1,824 2,827 14,828 1,834 1,837 1,846 2,854 8,855 4.319,856 3.028,857 1.278,858 1.621,859 1.282,860 0.981,861 2.491,862 7.377,863 2.996,864 3.624,865 4.155,866 4.704,867 5.211,868 5.319,869 5.397,870 5.57,871 5.712,872 5.154,873 1,874 23,875 5.11,876 0.002,877 2.156,878 7.885,879 9.557,880 0.001,881 7.757,882 -0.001,883 2.385,884 33.389,885 0.004,888 70.627,889 42.62,890 67.693,891 78.297,895 42.62,896 148.924,897 67.693,898 8.825,899 32.897,900 18.952,901 18.011,902 29.729,903 1.899,904 70.627,905 78.297,906 70.627,907 110.314,909 78.297,911 35.313,912 35.313,915 58.508,916 33.795,917 96.308,919 70.627,920 67.693,921 120.918,924 70.627,925 14.843,926 27.778,927 18.011,928 127.98,929 70.627,930 67.693,931 120.918,933 0.599,934 0.358,935 0.202,936 0.11,937 12,938 6,941 1,942 1.2,943 2.466,944 92.135,945 0.2,946 10,947 53.303,951 9.926,952 3.513,953 1.672,955 67.693,956 3.499,961 2.919,963 50.908,964 259.238,965 19,973 4.166,974 0.37,975 23.487,976 26.044,977 0.387,978 0.801,979 0.877,980 0.916,981 0.935,982 0.935,983 4.256,984 -0.467,985 5.209,986 -0.279,987 3.807,988 4.304,989 1.469,990 6.075,991 3.624,992 5.498,993 -0.895,994 6.812,995 -1.186,996 3.611,997 4.29,998 0.623,999 7.101,1000 3.295,1001 6.835,1002 -1,1003 8.515,1004 -2.268,1005 5.451,1006 6.511,1007 1.562,1008 10.231,1009 5.144,1010 8.203,1011 -1.471,1012 10.272,1013 -2.619,1014 5.994,1015 7.236,1016 1.104,1017 12.076,1018 5.576,1019 9.599,1020 -1.581,1021 12.067,1022 -3.783,1023 7.399,1024 9.011,1025 1.812,1026 14.759,1027 6.986,1028 11.016,1029 -1.755,1030 13.887,1031 -4.251,1032 8.288,1033 10.095,1034 1.569,1035 16.954,1036 7.792,1037 12.449,1038 -2,1039 15.729,1040 -5.835,1041 9.534,1042 11.685,1043 2.129,1044 19.475,1045 9.021,1046 3.214,1047 -2,1048 17.586,1049 -6.667,1050 10.581,1051 12.947,1052 2.032,1053 21.812,1054 9.999,1055 2.346,1056 11.291,1057 19.457,1058 -7.183,1059 11.77,1060 14.456,1061 2.489,1062 24.272,1063 11.155,1064 2.291,1065 7.231,1066 21.338,1067 4.202,1068 12.885,1069 15.806,1070 2.494,1071 26.663,1072 12.209,1073 1.74,1074 6.375,1075 23.227,1076 3.02,1077 14.057,1078 17.276,1079 2.879,1080 29.1,1081 13.336,1082 1.434,1083 4.673,1084 25.124,1085 2.905,1086 15.202,1087 18.67,1088 2.956,1089 31.512,1090 14.422,1091 0.252,1092 3.934,1093 27.026,1094 2.224,1095 16.369,1096 20.122,1097 3.29,1098 33.941,1099 15.538,1100 -0.108,1101 0.565,1102 28.932,1103 1.665,1104 17.526,1105 21.537,1106 3.417,1107 36.36,1108 16.637,1109 1160,1110 2379,1111 9.364,1112 16.779,1113 22.969,1114 23.556,1115 24.085,1116 22.683,1117 22.553,1118 28.634,1119 3.826,1120 68.139,1121 20.175,1122 5.363,1123 5.569,1124 6.161,1125 5.234,1126 5.214,1127 7.202,1128 2.276,1129 18.474,1130 5.031,1131 7.842,1132 1.531,1133 1.57,1134 1.606,1135 1.512,1136 1.504,1137 1.909,1138 0.255,1139 4.543,1140 1.345,1141 3.997,1142 4.026,1143 4.125,1144 3.926,1145 5.173,1146 3.924,1147 3.512,1148 3.574,1149 3.64,1150 3.341,1151 4.959,1152 3.348,1153 3.238,1154 3.336,1155 3.537,1156 3.019,1157 4.666,1158 3.023,1159 2.892,1160 2.938,1161 3.001,1162 2.786,1163 4.314,1164 2.759,1165 2.762,1166 2.839,1167 2.83,1168 2.58,1169 3.892,1170 2.576,1171 2.326,1172 2.449,1173 2.626,1174 1.969,1175 3.775,1176 1.961,1177 2.272,1178 2.402,1179 2.129,1180 1.884,1181 3.498,1182 1.885,1183 1.737,1184 1.801,1185 2.029,1186 1.593,1187 3.044,1188 1.519,1189 0.303,1190 0.238,1191 0.456,1192 0.277,1193 0.214,1194 4.538,1195 0.28,1196 3.569,1197 0.084,1198 6.847,1199 0.753,1200 4.162,1201 0.202,1202 3.214,1203 4.202,1204 1.257,1205 11.291,1206 3.031,1207 1.943,1208 1.922,1209 2.001,1210 2.048,1211 1.215,1212 2.043,1213 1.466,1214 1.405,1215 1.681,1216 1.655,1217 0.802,1218 1.666,1219 1.185,1220 1.092,1221 1.439,1222 1.492,1223 0.334,1224 1.502,1225 0.807,1226 0.782,1227 1.063,1228 1.073,1229 0.091,1230 1.08,1231 0.738,1232 0.66,1233 0.904,1234 0.91,1236 0.947,1237 0.257,1238 0.125,1239 0.647,1240 0.603,1242 0.638,1243 0.21,1244 0.056,1245 0.538,1246 0.558,1248 0.574,1251 0.094,1252 0.009,1254 0.064,1255 3.434,1257 4.779,1259 6.337,1261 8.003,1263 9.727,1265 1.925,1266 12.061,1269 5.596,1272 2.911,1275 -0.058,1280 15.826,1281 40.228,1282 83.287,1283 91.287,1284 95.287,1285 97.287,1286 97.287,1287 18.187,1288 5.756,1289 50.41,1290 50.41,1291 12,1292 11.965,1293 3,1294 2.322,1295 21.048,1296 28,1297 22,1298 0.428,1299 107.654,1300 181.5,1301 254.435,1302 1668,1303 8.7,1304 10.293,1305 0.735,1306 0.645,1307 11.293,1308 9.024,1309 6.592,1310 0.439,1311 0.329,1312 4.193,1313 5.842,1314 4.003,1315 3.299,1316 7.17,1317 4.931,1318 6.327,1319 0.288,1320 0.179,1321 7.069,1322 3.948,1323 5.065,1324 0.175,1325 0.096,1326 5.761,1327 2.79,1328 4.459,1329 0.114,1330 0.053,1331 5.092,1332 2.064,1333 3.463,1334 0.074,1335 0.029,1336 4.275,1337 1.37,1338 0.601,1339 47.009,1340 0.327,1341 13.477,1342 1.409,1343 74,1344 219.697,1345 110.34,1346 277.623,1347 360.09,1348 256,1349 88,1350 222.289,1351 116.575,1352 245.243,1353 361.35,1354 231,1355 6.015} {0 CHEMBL273170,1 1.749,2 5.214,3 2.902,4 8.42,5 59.256,6 10.005,7 0.4,8 3.268,9 3.39,10 3.07,11 2.868,12 4.436,13 2.842,14 3.752,15 3.909,16 3.52,17 3.273,18 4.94,19 3.22,20 3.989,21 4.165,22 3.805,23 3.437,24 5.173,25 3.356,26 3.958,27 4.134,28 3.577,29 3.326,30 5.146,31 3.21,32 3.896,33 4.127,34 3.14,35 3.054,36 5.045,37 2.863,38 3.487,39 3.81,40 2.354,41 2.418,42 4.44,43 2.125,44 2.413,45 2.706,46 1.638,47 1.436,48 3.526,49 1.186,50 1.219,51 1.33,52 0.403,53 0.664,54 2.222,55 0.454,56 0.072,57 0.346,58 2.708,59 1.678,60 7.83,61 2.022,62 0.153,63 0.526,64 6.397,65 3.251,66 13.879,67 4.148,68 0.286,69 0.598,70 14.754,71 4.038,72 26.506,73 4.695,74 0.259,75 0.527,76 13.3,77 4.304,78 23.391,79 5.255,80 0.354,81 0.421,82 18.917,83 4.277,84 33.556,85 5.118,86 0.25,87 0.221,88 17.376,89 3.582,90 27.865,91 4.685,92 0.108,93 0.054,94 6.935,95 1.205,96 12.567,97 1.537,98 0.039,99 0.003,100 3.173,101 0.355,102 3.824,103 0.342,104 17,105 22,106 0.364,107 0.753,108 0.844,109 0.88,110 0.88,111 0.88,112 2.737,113 0.986,114 -3.89,115 -3.85,116 -3.65,119 39.1,120 1,127 1,140 2,141 1,142 3,157 1,161 1,162 1,163 1,169 1,172 2,173 1,174 2,175 1,176 2,177 1,178 4,186 1,189 5,193 2,197 5,199 3,201 3,203 2,208 2,211 2,213 1,220 1,224 1,231 1,235 1,259 148,260 9,261 9,262 9,263 9,264 9,265 7.883,266 12.055,267 5.083,268 9.369,269 7.352,270 7.352,271 7.352,272 7.352,273 7.352,274 5.704,275 17.253,276 2.382,277 8.095,278 2.775,279 0.902,280 0.468,281 0.294,282 0.294,283 0.294,284 3.369,285 2,288 1,289 1,290 150,291 1.732,295 56.608,299 48.792,302 0.847,303 13.915,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 30.167,315 73,316 4.527,317 3.587,318 6.82,319 4.147,320 3.202,321 4.193,322 1.257,323 11.156,324 3.018,325 3.835,326 3.076,327 5.673,328 3.359,329 2.487,330 3.164,331 0.533,332 7.352,333 2.115,334 3.386,335 2.539,336 5.085,337 2.98,338 2.031,339 2.647,340 0.123,341 5.847,342 1.925,343 3.232,344 2.25,345 4.979,346 2.865,347 1.955,348 2.411,350 5.671,351 1.708,352 2.567,353 2.008,354 4.142,355 2.227,356 1.325,357 1.577,359 3.387,360 1.146,361 1.52,362 0.88,363 2.881,364 1.066,365 0.268,366 0.317,368 0.602,369 0.175,370 1.058,371 0.364,372 2.817,373 0.715,374 -0.113,375 -0.123,377 -0.293,378 -0.084,379 0.889,380 0.002,381 2.561,382 0.478,383 -0.438,384 -0.517,386 -1.131,387 -0.387,388 0.412,389 -0.31,390 2,391 0.148,392 -0.758,393 -0.851,395 -1.847,396 -0.601,397 -0.035,398 -0.759,399 1.528,400 -0.457,401 -1.275,402 -1.462,404 -3.237,405 -0.928,406 -0.167,407 -1.046,408 1.428,409 -0.564,410 -1.382,411 -1.631,413 -3.79,414 -1.116,415 -0.306,416 -1.188,417 1.253,418 -0.73,419 -1.525,420 -1.987,422 -4.458,423 -1.429,424 -0.5,425 -1.492,426 1.128,427 -0.86,428 -1.776,429 -2.233,430 -0.331,431 -5.228,432 -1.665,433 -0.594,434 -1.61,435 1,436 -1,437 -2,438 -2.502,439 -0.562,440 -6.868,441 -1.875,442 -0.824,443 -2,444 0.706,445 -1.072,446 -2,447 -3,448 -1.02,449 -7.163,450 -2,451 7.129,452 0.509,453 0.494,454 0.035,455 17.25,456 1.232,457 8,458 0.571,459 9.25,460 0.661,461 10.651,462 0.761,463 15.071,464 0.655,465 9.588,466 0.685,467 3.347,468 0.239,469 3.245,470 0.232,471 0.327,473 0.421,479 0.832,480 1.204,481 0.512,482 0.656,483 0.961,484 0.694,485 0.55,486 0.964,487 0.516,488 0.696,489 0.477,490 0.733,491 1.066,492 1.002,493 0.742,494 0.688,495 0.965,496 0.782,497 0.958,498 1.341,499 1.052,500 1.246,501 0.917,502 1.217,503 1.317,504 0.998,505 1.438,506 1.358,507 1.447,508 1.369,509 0.937,510 0.602,511 1.152,512 1,513 1.02,514 0.938,515 1.052,516 0.432,517 1.605,518 1.248,519 0.944,520 0.994,521 4.844,522 0.121,523 6.191,524 3.513,525 4.512,526 2.654,527 3.5,529 2,530 1.625,531 1.209,532 0.292,533 0.121,537 1089,538 4353,539 1.952,540 39.1,542 3,545 3,547 3,550 1.517,551 1.75,552 2.435,553 1.453,557 1,559 40.228,560 1.749,561 3.621,562 4.056,563 4.23,564 4.23,565 4.23,566 1.924,567 3.093,568 3.785,569 2.452,570 223.114,571 6.343,572 1712.71,574 1,577 104.042,578 1.557,579 3.689,580 0.233,582 0.091,583 0.071,584 0.067,585 0.032,586 0.04,590 0.535,591 1,592 1,593 0.788,594 50.916,595 -0.179,596 0.021,597 -0.019,598 0.109,599 -0.266,600 0.086,601 0.16,602 0.16,603 0.104,604 0.143,605 0.191,606 0.131,607 -0.129,608 0.064,609 0.113,610 0.204,611 -0.104,612 0.094,613 -0.013,614 -0.372,615 -0.103,616 -0.31,617 0.015,618 -0.294,619 -0.196,620 -0.13,621 -0.295,622 -0.354,623 -0.284,624 -0.384,625 0.103,626 0.037,627 0.083,628 0.152,629 0.117,630 0.273,631 0.29,632 0.116,633 0.014,634 0.011,635 0.479,636 0.262,637 -1.875,638 0.117,639 -2.498,640 -1.772,641 -1.864,642 -1.386,643 1.391,644 1.961,645 0.714,646 5.51,647 1.021,648 1.132,649 2.66,650 7.074,651 0.73,652 2.773,653 3.135,654 3.401,655 3.664,656 3.829,657 3.784,658 3.638,659 3.466,660 3.332,661 2.639,662 3.282,663 0.688,664 230.11,665 2.773,666 4.317,667 5.176,668 6.075,669 6.952,670 7.854,671 8.735,672 9.637,673 10.521,674 11.421,675 13,676 1,680 1,684 1,688 2,693 4,695 6,707 1,713 2,714 23,716 7,717 1,718 15,720 24,721 9,722 6,723 4,724 2,730 2,731 3,732 2,734 1,736 1,740 1,743 1,745 7,746 2,750 1,758 1,759 1,761 1,764 9,765 3,766 3,767 5,768 2,773 3,777 0.5,793 2,797 1,812 1,819 1,823 1,824 2,827 14,828 1,834 1,837 1,846 2,854 8,855 4.319,856 3.028,857 1.278,858 1.615,859 1.281,860 0.981,861 2.491,862 7.371,863 2.996,864 3.624,865 4.155,866 4.69,867 5.186,868 5.338,869 5.459,870 5.593,871 5.689,872 5.062,873 0.75,874 23,875 5.109,876 0.002,877 2.156,878 7.885,879 9.557,880 0.001,881 7.757,882 -0.001,883 2.385,884 33.389,885 0.004,888 70.627,889 42.62,890 67.693,891 78.297,895 42.62,896 148.924,897 67.693,898 8.825,899 32.897,900 18.952,901 18.011,902 29.729,903 1.899,904 70.627,905 78.297,906 70.627,907 110.314,909 78.297,911 35.313,912 35.313,915 58.508,916 33.795,917 96.308,919 70.627,920 67.693,921 120.918,924 70.627,925 14.843,926 27.778,927 18.011,928 127.98,929 70.627,930 67.693,931 120.918,933 0.601,934 0.36,935 0.195,936 0.101,937 12,938 6,941 1,942 1.2,943 2.476,944 91.746,945 0.2,946 10,947 53.303,951 9.926,952 3.513,953 1.672,955 67.693,956 3.586,961 2.85,963 50.908,964 259.238,965 19,973 4.166,974 0.406,975 23.487,976 26.044,977 0.387,978 0.801,979 0.897,980 0.935,981 0.935,982 0.935,983 4.256,984 -0.438,985 5.209,986 -0.293,987 3.807,988 4.304,989 1.469,990 6.071,991 3.624,992 5.498,993 -0.758,994 6.812,995 -1.131,996 3.611,997 4.29,998 0.623,999 7.081,1000 3.295,1001 6.835,1002 -1.275,1003 8.514,1004 -1.847,1005 5.451,1006 6.511,1007 1.562,1008 10.206,1009 5.139,1010 8.203,1011 -1.382,1012 10.27,1013 -3.237,1014 5.994,1015 7.236,1016 1.104,1017 12.023,1018 5.561,1019 9.598,1020 -1.525,1021 12.061,1022 -3.79,1023 7.396,1024 9.01,1025 1.812,1026 14.705,1027 6.969,1028 11.014,1029 -1.776,1030 13.877,1031 -4.458,1032 8.281,1033 10.091,1034 1.569,1035 16.872,1036 7.763,1037 12.447,1038 -2,1039 15.714,1040 -5.228,1041 9.523,1042 11.68,1043 2.129,1044 19.39,1045 8.991,1046 3.202,1047 -2,1048 17.566,1049 -6.868,1050 10.564,1051 12.938,1052 2.032,1053 21.704,1054 9.96,1055 2.487,1056 11.156,1057 19.431,1058 -7.163,1059 11.749,1060 14.445,1061 2.489,1062 24.158,1063 11.114,1064 2.031,1065 7.352,1066 21.307,1067 4.193,1068 12.858,1069 15.791,1070 2.494,1071 26.531,1072 12.161,1073 1.955,1074 5.847,1075 23.191,1076 3.164,1077 14.025,1078 17.259,1079 2.879,1080 28.959,1081 13.285,1082 1.325,1083 5.671,1084 25.081,1085 2.647,1086 15.163,1087 18.648,1088 2.956,1089 31.356,1090 14.365,1091 0.268,1092 3.387,1093 26.978,1094 2.411,1095 16.325,1096 20.098,1097 3.29,1098 33.774,1099 15.477,1100 -0.113,1101 0.602,1102 28.879,1103 1.577,1104 17.477,1105 21.509,1106 3.417,1107 36.18,1108 16.571,1109 1178,1110 2419,1111 9.364,1112 16.779,1113 22.936,1114 23.642,1115 24.064,1116 22.647,1117 22.533,1118 28.616,1119 3.826,1120 68.031,1121 20.171,1122 5.351,1123 5.587,1124 6.114,1125 5.218,1126 5.202,1127 7.193,1128 2.276,1129 18.319,1130 5.018,1131 7.879,1132 1.529,1133 1.576,1134 1.604,1135 1.51,1136 1.502,1137 1.908,1138 0.255,1139 4.535,1140 1.345,1141 3.996,1142 4.026,1143 4.146,1144 3.925,1145 5.172,1146 3.924,1147 3.516,1148 3.574,1149 3.632,1150 3.35,1151 4.999,1152 3.356,1153 3.236,1154 3.336,1155 3.393,1156 3.009,1157 4.495,1158 3.014,1159 2.885,1160 2.937,1161 3.13,1162 2.753,1163 4.388,1164 2.737,1165 2.764,1166 2.841,1167 2.998,1168 2.616,1169 4.098,1170 2.601,1171 2.33,1172 2.449,1173 2.435,1174 1.971,1175 3.707,1176 1.962,1177 2.272,1178 2.401,1179 2.134,1180 1.883,1181 3.391,1182 1.884,1183 1.728,1184 1.807,1185 2.027,1186 1.6,1187 3.057,1188 1.518,1189 0.302,1190 0.239,1191 0.455,1192 0.276,1193 0.213,1194 4.527,1195 0.28,1196 3.587,1197 0.084,1198 6.82,1199 0.744,1200 4.147,1201 0.201,1202 3.202,1203 4.193,1204 1.257,1205 11.156,1206 3.018,1207 1.943,1208 1.922,1209 2.005,1210 2.051,1211 1.215,1212 2.045,1213 1.464,1214 1.405,1215 1.68,1216 1.649,1217 0.803,1218 1.661,1219 1.184,1220 1.092,1221 1.425,1222 1.492,1223 0.308,1224 1.5,1225 0.818,1226 0.779,1227 1.038,1228 1.046,1229 0.131,1230 1.053,1231 0.731,1232 0.662,1233 0.933,1234 0.95,1236 0.99,1237 0.256,1238 0.125,1239 0.648,1240 0.615,1242 0.648,1243 0.209,1244 0.056,1245 0.566,1246 0.545,1248 0.567,1251 0.115,1252 0.053,1254 0.107,1255 3.434,1257 4.779,1259 6.337,1261 8.001,1263 9.718,1265 1.925,1266 11.98,1269 5.591,1272 2.943,1275 -0.058,1280 15.826,1281 40.228,1282 83.287,1283 93.287,1284 97.287,1285 97.287,1286 97.287,1287 18.207,1288 5.756,1289 50.41,1290 50.41,1291 12,1292 11.946,1293 3,1294 2.322,1295 21.109,1296 28,1297 24,1298 0.419,1299 107.654,1300 181.5,1301 254.435,1302 1672,1303 8.7,1304 10.293,1305 0.735,1306 0.645,1307 11.293,1308 9.024,1309 6.592,1310 0.439,1311 0.329,1312 4.193,1313 5.871,1314 4.002,1315 3.301,1316 7.17,1317 4.931,1318 6.305,1319 0.287,1320 0.178,1321 7.009,1322 3.923,1323 5.178,1324 0.179,1325 0.102,1326 6.146,1327 2.965,1328 4.404,1329 0.116,1330 0.053,1331 4.982,1332 2.015,1333 3.194,1334 0.071,1335 0.027,1336 3.649,1337 1.202,1338 0.593,1339 47.009,1340 0.327,1341 13.543,1342 1.356,1343 74,1344 219.697,1345 110.34,1346 277.723,1347 360.15,1348 256,1349 88,1350 222.289,1351 121.844,1352 245.516,1353 362.12,1354 231,1355 6.585} {0 CHEMBL273921,1 1.575,2 13.226,3 3.735,4 13.954,5 117.073,6 7.285,7 0.457,8 4.168,9 4.291,10 3.723,11 3.693,12 5.215,13 3.675,14 4.759,15 4.944,16 4.115,17 4.129,18 5.786,19 4.085,20 5.095,21 5.323,22 4.231,23 4.341,24 6.04,25 4.268,26 5.202,27 5.438,28 4.165,29 4.35,30 6.196,31 4.245,32 5.192,33 5.448,34 4.012,35 4.251,36 6.16,37 4.13,38 5.064,39 5.338,40 3.812,41 4.123,42 5.977,43 3.97,44 4.931,45 5.213,46 3.704,47 4.003,48 5.766,49 3.859,50 4.827,51 5.091,52 3.619,53 3.905,54 5.739,55 3.774,56 0.034,57 0.943,58 12.351,59 5.381,60 8.325,61 7.147,62 0.335,63 1.588,64 24.54,65 8.97,66 27.05,67 12.612,68 0.384,69 2.042,70 36.615,71 12.809,72 42.905,73 18.017,74 0.512,75 2.087,76 41.787,77 14.528,78 73.442,79 20.434,80 0.707,81 1.93,82 43.131,83 13.775,84 91.332,85 19.712,86 0.643,87 1.699,88 37.975,89 12.513,90 86.916,91 18.386,92 0.416,93 1.548,94 33.489,95 11.482,96 57.008,97 16.391,98 0.418,99 1.459,100 30.098,101 10.185,102 65.272,103 14.035,104 10,105 50,106 0.256,107 0.57,108 0.738,109 0.863,110 0.868,111 0.868,112 3.472,113 0.948,114 -4.84,115 -4.75,116 -4.46,119 41.4,121 4,125 5,127 1,140 7,141 2,142 1,144 1,150 1,156 1,160 1,169 9,171 2,172 9,174 2,178 11,181 1,182 8,189 8,192 1,193 9,197 4,199 5,202 1,203 6,208 1,211 5,214 1,215 4,218 1,225 1,226 6,233 4,237 1,244 6,248 2,249 3,252 1,256 4,259 1491,260 21.223,261 21.223,262 21.223,263 21.223,264 21.223,265 19.194,266 26.168,267 12.376,268 21.696,269 17.27,270 17.27,271 17.27,272 17.27,273 17.27,274 14.136,275 30.86,276 5.861,277 18.069,278 4.283,279 2.351,280 1.317,281 0.552,282 0.517,283 0.517,284 4.184,288 1,289 1,290 917,291 2.739,294 68.396,295 260.125,296 91.991,298 128.621,300 152.954,302 1.946,303 34.641,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 410,316 4.665,317 3.72,318 6.911,319 4.198,320 3.263,321 4.603,322 1.2,323 11.607,324 3.06,325 4.388,326 3.378,327 6.614,328 4.078,329 3.087,330 3.962,331 0.8,332 10.454,333 3.053,334 3.872,335 2.921,336 5.834,337 3.595,338 2.643,339 3.312,340 0.293,341 8.035,342 2.516,343 3.689,344 2.823,345 5.716,346 3.42,347 2.469,348 2.901,350 7.632,351 2.349,352 3.539,353 2.762,354 5.348,355 3.287,356 2.353,357 2.675,359 6.898,360 2.18,361 3.281,362 2.353,363 4.997,364 2.978,365 2.041,366 2.464,368 5.811,369 1.901,370 3.184,371 2.259,372 4.913,373 2.792,374 1.804,375 2.435,377 5.27,378 1.779,379 3.002,380 2.107,381 4.674,382 2.708,383 1.792,384 2.123,386 4.793,387 1.625,388 2.9,389 1.667,390 4.556,391 2.491,392 1.519,393 2.022,395 4.396,396 1.477,397 2.823,398 1.527,399 3.716,400 2.446,401 1.456,402 1.885,404 3.125,405 1.435,406 2.429,407 1.319,408 3.546,409 2.07,410 1.079,411 1.348,413 2.454,414 1.068,415 2.147,416 1.142,417 3.521,418 1.984,419 1,420 1.063,422 2.275,423 0.983,424 2.019,425 1.077,426 3.414,427 1.888,428 0.887,429 1,431 2.134,432 0.881,433 2,434 0.873,435 3.38,436 1.611,437 0.653,438 0.858,440 1.695,441 0.621,442 1.516,443 0.659,444 2.949,445 1.309,446 0.311,447 0.359,449 0.748,450 0.308,451 14.552,452 0.469,453 0.747,454 0.024,455 37,456 1.194,457 16,458 0.516,459 21,460 0.677,461 29.502,462 0.952,463 34.048,464 0.587,465 27.575,466 0.89,467 7.038,468 0.227,469 8.059,470 0.26,471 0.065,473 0.357,477 1,479 0.703,480 1.306,481 0.777,482 1.137,483 0.584,484 1.002,485 0.649,486 1.061,487 0.882,488 0.999,489 0.459,490 0.976,491 0.872,492 0.968,493 0.938,494 0.971,495 0.698,496 0.953,497 0.905,498 0.97,499 1.044,500 1.123,501 0.918,502 1.113,503 1.055,504 0.84,505 1.075,506 0.97,507 1.111,508 1.021,509 0.694,510 0.843,511 1.01,512 0.994,513 0.616,514 1.049,515 0.843,516 0.884,517 0.932,518 0.935,519 0.885,520 0.949,521 1.201,522 1.066,523 1.109,524 1.016,525 1.269,526 1.044,527 5.5,528 0.189,529 3.778,530 2.854,531 1.843,532 0.935,533 0.53,534 0.411,535 0.172,536 0.175,537 14883,538 37951,539 2.16,540 46.6,541 2,542 18,545 1,547 2,548 4,550 1.731,551 2.044,552 3.627,553 -0.361,555 1,559 91.342,560 1.575,561 3.507,562 4.541,563 5.306,564 5.341,565 5.341,566 3.034,567 4.607,568 4.931,569 3.823,570 1777.49,571 8.575,572 25931.1,574 1,576 1,577 339.763,578 1.332,579 4.896,580 0.157,581 0.008,582 0.076,583 0.052,584 0.038,585 0.023,586 0.017,587 0.014,588 0.006,589 0.007,590 0.398,591 0.17,592 0.88,593 0.486,594 162.97,595 -0.036,596 -0.201,597 0.059,598 -0.051,599 -0.018,600 0.004,601 0.087,602 -0.005,603 0.015,604 -0.002,605 0.088,606 -0.008,607 -0.06,608 0.029,609 0.005,610 0.012,611 0.007,612 0.027,613 -0.022,614 -0.079,615 -0.083,616 -0.146,617 -0.006,618 -0.13,619 -0.065,620 -0.026,621 -0.079,622 -0.027,623 -0.093,624 -0.054,625 0.084,626 -0.022,627 -0.033,628 -0.046,629 0.067,630 -0.06,631 -0.016,632 0.003,633 0.056,634 0.038,635 -0.039,636 0.057,637 -0.132,638 -0.058,639 -0.098,640 -0.033,641 -0.138,642 -0.055,643 2.016,644 5.945,645 0.839,646 30.094,647 1.003,648 1.133,649 3.607,650 13.012,651 0.655,652 3.584,653 3.932,654 4.248,655 4.543,656 4.771,657 4.86,658 4.984,659 5.069,660 5.094,661 5.22,662 7.652,663 0.624,664 422.55,665 3.584,666 5.142,667 6.014,668 6.907,669 7.793,670 8.69,671 9.582,672 10.48,673 11.375,674 12.275,675 6.9,678 1,682 1,683 1,685 1,687 2,688 7,689 1,693 4,694 1,695 16,703 1,711 1,713 1,714 58,716 17,717 2,718 35,720 62,721 24,722 13,723 5,724 7,725 1,730 5,731 7,740 5,743 5,745 14,746 10,750 1,755 1,759 1,761 1,762 1,764 27,765 6,766 1,767 7,770 1,773 4,777 0.6,778 2,792 1,793 3,794 1,796 1,798 1,815 1,819 3,825 1,827 31,832 1,833 9,837 1,838 2,846 1,847 3.4,849 1,850 1,854 15.167,855 10.226,856 6.694,857 3.784,858 3.164,859 1.379,860 0.992,861 5.681,862 11.52,863 3.807,864 4.404,865 5.006,866 5.598,867 6.082,868 6.328,869 6.661,870 6.918,871 6.826,872 6.979,873 0.889,874 55,875 11.592,877 5.13,878 7.774,879 22.425,881 19.386,883 2.274,884 70.5,887 1,888 306.049,889 111.485,890 24.933,892 67.828,893 14.96,895 111.485,896 373.877,897 39.893,899 23.791,900 66.334,901 89.318,902 22.66,903 17.104,904 306.049,906 306.049,907 136.419,908 82.788,911 250.382,912 138.455,915 30.959,916 88.675,917 16.786,919 321.009,920 92.762,921 111.485,924 306.049,925 45.152,926 74.481,928 99.574,929 306.049,930 107.722,931 111.485,933 0.587,934 0.353,935 0.199,936 0.109,937 26,938 11,939 0.065,940 4,941 2,942 1.154,943 4.294,944 288.093,945 0.154,946 26,947 149.58,951 20.473,952 8.602,953 4.068,954 1.256,955 105.823,956 12.397,957 4.122,961 1.603,962 1.835,963 42.683,964 525.256,965 44,970 12.945,974 0.144,975 58.178,976 65.734,977 0.269,978 0.599,979 0.775,980 0.906,981 0.912,982 0.912,983 5.069,984 1.792,985 6.004,986 5.27,987 4.615,988 5.091,989 1.577,990 6.843,991 4.529,992 6.263,993 1.519,994 7.578,995 4.793,996 4.205,997 4.934,998 0.57,999 7.796,1000 4.041,1001 7.574,1002 1.456,1003 9.254,1004 4.396,1005 6.232,1006 7.29,1007 1.608,1008 10.931,1009 6.059,1010 8.921,1011 1.079,1012 10.991,1013 3.125,1014 6.661,1015 8.016,1016 0.801,1017 12.753,1018 6.419,1019 10.305,1020 1,1021 12.768,1022 2.454,1023 8.148,1024 9.857,1025 1.786,1026 15.408,1027 7.89,1028 11.716,1029 0.887,1030 14.575,1031 2.275,1032 8.969,1033 11.001,1034 1.074,1035 17.589,1036 8.653,1037 13.148,1038 0.653,1039 16.403,1040 2.134,1041 10.245,1042 12.642,1043 2.015,1044 20.089,1045 9.903,1046 3.263,1047 0.311,1048 18.247,1049 1.695,1050 11.251,1051 13.984,1052 1.404,1053 22.417,1054 10.857,1055 3.087,1056 11.607,1057 20.106,1058 0.748,1059 12.446,1060 15.544,1061 2.275,1062 24.868,1063 12.019,1064 2.643,1065 10.454,1066 21.974,1067 4.603,1068 13.537,1069 16.979,1070 1.768,1071 27.256,1072 13.06,1073 2.469,1074 8.035,1075 23.852,1076 3.962,1077 14.705,1078 18.508,1079 2.556,1080 29.692,1081 14.19,1082 2.353,1083 7.632,1084 25.737,1085 3.312,1086 15.834,1087 19.986,1088 2.15,1089 32.106,1090 15.27,1091 2.041,1092 6.898,1093 27.628,1094 2.901,1095 16.996,1096 21.505,1097 2.853,1098 34.54,1099 16.388,1100 1.804,1101 5.811,1102 29.524,1103 2.675,1104 18.143,1105 23.004,1106 2.538,1107 36.967,1108 17.487,1109 13628,1110 21957,1111 23.868,1112 38.006,1113 53.194,1114 54.105,1115 54.466,1116 52.911,1117 52.713,1118 66.02,1119 4.586,1120 154.654,1121 50.469,1122 5.665,1123 5.72,1124 6.598,1125 5.261,1126 5.263,1127 7.603,1128 2.293,1129 18.778,1130 5.06,1131 12.872,1132 1.52,1133 1.546,1134 1.556,1135 1.512,1136 1.506,1137 1.886,1138 0.131,1139 4.419,1140 1.442,1141 4.136,1142 4.177,1143 4.106,1144 4.001,1145 8.201,1146 4.02,1147 3.994,1148 4.026,1149 3.935,1150 3.914,1151 7.427,1152 3.915,1153 3.817,1154 3.878,1155 3.707,1156 3.672,1157 6.477,1158 3.671,1159 3.608,1160 3.67,1161 3.498,1162 3.451,1163 4.883,1164 3.45,1165 3.444,1166 3.506,1167 3.365,1168 3.268,1169 4.709,1170 3.271,1171 3.345,1172 3.402,1173 3.209,1174 3.142,1175 4.334,1176 3.164,1177 3.156,1178 3.206,1179 3.052,1180 2.958,1181 4.119,1182 2.975,1183 3.111,1184 3.198,1185 2.866,1186 2.941,1187 4.064,1188 2.91,1189 0.133,1190 0.106,1191 0.197,1192 0.12,1193 0.093,1194 4.665,1195 0.132,1196 3.72,1197 0.034,1198 6.911,1199 0.332,1200 4.198,1201 0.087,1202 3.263,1203 4.603,1204 1.2,1205 11.607,1206 3.06,1207 1.94,1208 1.909,1209 2.073,1210 2.088,1211 1.438,1212 2.086,1213 1.929,1214 1.904,1215 2.044,1216 2.008,1217 1.289,1218 2.019,1219 1.813,1220 1.76,1221 1.955,1222 1.966,1223 1.156,1224 1.967,1225 1.663,1226 1.599,1227 1.879,1228 1.872,1229 1.079,1230 1.876,1231 1.432,1232 1.364,1233 1.685,1234 1.671,1235 0.956,1236 1.662,1237 1.276,1238 1.221,1239 1.513,1240 1.525,1241 0.825,1242 1.515,1243 1.153,1244 1.064,1245 1.422,1246 1.376,1247 0.616,1248 1.429,1249 1.11,1250 1.064,1251 1.329,1252 1.341,1253 0.511,1254 1.336,1255 4.263,1257 5.602,1258 2.398,1259 7.133,1260 4.949,1261 8.751,1262 7.195,1263 10.415,1267 13.479,1270 10.325,1271 7.885,1275 0.137,1276 4.373,1280 36.22,1281 91.342,1282 203.385,1283 263.382,1284 307.763,1285 309.763,1286 309.763,1287 58.033,1288 8.356,1289 61.6,1290 61.6,1291 30,1292 12.798,1293 4.17,1294 3.322,1295 43.984,1296 147,1297 128,1298 0.146,1299 216.968,1300 375.79,1301 521.163,1302 59540,1303 1.7,1304 21.372,1305 0.689,1306 0.565,1307 20.501,1308 17.505,1309 15.097,1310 0.431,1311 0.316,1312 10.906,1313 14.494,1314 10.746,1315 8.778,1316 14.704,1317 11.06,1318 13.749,1319 0.275,1320 0.171,1321 13.115,1322 8.541,1323 12.047,1324 0.175,1325 0.096,1326 11.712,1327 6.65,1328 10.431,1329 0.112,1330 0.053,1331 10.167,1332 4.975,1333 8.54,1334 0.073,1335 0.031,1336 8.325,1337 3.636,1338 0.236,1339 94.7,1340 0.205,1341 29.436,1342 0.385,1343 170,1344 502.577,1345 188.056,1346 459.437,1347 625.22,1348 430,1349 204,1350 460.62,1351 222.275,1352 457.403,1353 678.69,1354 433,1355 5.62} {0 CHEMBL274001,1 1.423,2 10.217,3 1.542,4 2.379,5 93.644,6 6.899,7 0.577,8 3.918,9 4.068,10 3.442,11 3.401,12 4.903,13 3.379,14 4.483,15 4.695,16 3.754,17 3.827,18 5.364,19 3.77,20 4.718,21 4.975,22 3.666,23 3.957,24 5.469,25 3.829,26 4.752,27 5.024,28 3.563,29 3.938,30 5.474,31 3.777,32 4.716,33 5.018,34 3.459,35 3.805,36 5.4,37 3.639,38 4.542,39 4.832,40 3.431,41 3.67,42 5.273,43 3.542,44 4.43,45 4.693,46 3.409,47 3.607,48 5.243,49 3.49,50 4.418,51 4.7,52 3.211,53 3.53,54 5.177,55 3.386,56 0.067,57 0.741,58 10.483,59 3.605,60 9.026,61 5.537,62 0.228,63 1.169,64 19.617,65 6.021,66 15.604,67 9.509,68 0.24,69 1.301,70 25.385,71 8.684,72 19.141,73 13.343,74 0.177,75 1.278,76 26.37,77 9.473,78 20.589,79 14.486,80 0.227,81 1.163,82 26.105,83 8.652,84 21.738,85 13.592,86 0.221,87 1.025,88 21.859,89 6.737,90 17.774,91 10.807,92 0.196,93 0.966,94 19.167,95 6.065,96 18.079,97 9.603,98 0.223,99 0.903,100 19.285,101 5.676,102 18.445,103 9.207,105 35,106 0.246,107 0.598,108 0.748,109 0.825,110 0.825,111 0.825,112 3.188,113 0.956,114 -3.6,115 -3.57,116 -3.41,119 37.8,121 2,125 5,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 5,171 2,172 3,176 3,178 5,182 3,184 1,186 3,189 5,193 6,197 1,199 3,203 6,206 1,208 1,211 2,215 4,218 1,220 1,222 1,226 3,229 2,231 1,236 1,237 3,242 1,253 1,254 1,259 749,260 16.206,261 16.206,262 16.206,263 16.206,264 16.206,265 14.519,266 20.296,267 9.855,268 16.623,269 12.886,270 12.886,271 12.886,272 12.886,273 12.886,274 10.347,275 22.441,276 4.713,277 13.548,278 4.069,279 2.026,280 1.155,281 0.711,282 0.711,283 0.711,284 3.893,287 1,288 1,289 1,290 525,291 2.449,294 108.381,295 133.491,298 89.909,302 1.618,303 9.39,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49,315 235,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.89,327 6.095,328 3.689,329 2.753,330 3.731,331 0.4,332 8.884,333 2.578,334 3.53,335 2.838,336 5.342,337 3.442,338 2.52,339 2.813,341 6.968,342 2.323,343 3.419,344 2.189,345 5.127,346 3.019,347 2.038,348 2.595,350 6.002,351 1.994,352 3.248,353 1.84,354 4.514,355 2.732,356 1.778,357 2.511,359 4.655,360 1.692,361 2.749,362 1.791,363 4.135,364 2.494,365 1.551,366 1.853,368 3.509,369 1.463,370 2.564,371 1.354,372 3.674,373 2.264,374 1.294,375 1.567,377 3.181,378 1.252,379 2.405,380 1.146,381 3.387,382 2.03,383 1.075,384 1.369,386 2.383,387 1.024,388 2.207,389 1.135,390 3.289,391 1.967,392 1,393 1.139,395 2.136,396 0.965,397 2.118,398 0.921,399 3.247,400 1.846,401 0.882,402 1,404 2.064,405 0.848,406 2,407 0.651,408 3.147,409 1.543,410 0.618,411 0.927,413 1.416,414 0.559,415 1.942,416 0.618,417 3,418 1.518,419 0.585,420 0.789,422 1.372,423 0.556,424 1.086,425 0.096,426 2.59,427 0.898,428 -0.067,429 -0.074,431 -0.162,432 -0.065,433 0.768,434 -0.421,435 2.434,436 0.402,437 -0.561,438 -0.671,440 -1.357,441 -0.537,442 0.598,443 -0.6,444 2.097,445 0.191,446 -0.797,447 -0.963,449 -1.964,450 -0.786,451 10.9,452 0.474,453 0.359,454 0.016,455 28,456 1.217,457 12,458 0.522,459 16,460 0.696,461 18.112,462 0.787,463 25.1,464 0.558,465 17.264,466 0.751,467 5.482,468 0.238,469 5.917,470 0.257,473 0.257,479 0.954,480 1.52,481 0.851,482 1.18,483 0.664,484 1.03,485 1.268,486 1.063,487 1.032,488 0.952,489 0.873,490 0.96,491 0.924,492 0.929,493 1.033,494 1.02,495 0.735,496 1.037,497 0.674,498 1.061,499 0.985,500 1.154,501 0.678,502 1.117,503 0.666,504 0.939,505 0.851,506 0.975,507 0.77,508 0.943,509 0.907,510 0.917,511 0.866,512 0.878,513 0.781,514 0.868,515 0.876,516 1.107,517 0.976,518 1.089,519 0.914,520 1.052,521 1.176,522 0.965,523 1.129,524 1.019,525 1.381,526 1.06,527 3,528 0.046,529 2.222,530 0.819,531 0.614,532 0.528,533 0.323,534 0.138,535 0.086,536 0.092,537 6540,538 14311,539 2.223,540 48.9,541 2,542 13,543 1,544 2,545 2,547 2,550 1.654,551 2.19,552 3.338,553 0.321,554 1,555 1,557 1,559 64.029,560 1.423,561 3.466,562 4.337,563 4.781,564 4.781,565 4.781,566 2.773,567 3.915,568 4.494,569 3.496,570 884.468,571 7.72,572 10260.2,574 1,576 1,577 247.133,578 0.828,579 4.498,580 0.115,581 0.004,582 0.063,583 0.026,584 0.023,585 0.022,586 0.013,587 0.006,588 0.005,589 0.006,590 0.284,591 0.33,592 1,594 108.777,595 0.077,596 -0.236,597 0.087,598 -0.088,599 0.247,600 -0.013,601 -0.114,602 0.106,603 -0.06,604 0.054,605 0.016,606 0.012,607 -0.085,608 0.079,609 -0.08,610 0.01,611 0.015,612 -0.027,614 -0.122,615 -0.044,616 -0.105,617 0.068,618 -0.085,619 0.1,620 -0.062,621 0.116,622 0.023,623 0.098,624 0.064,625 0.023,626 0.015,627 0.115,628 0.097,629 0.1,630 0.114,631 0.081,632 -0.11,633 -0.004,634 -0.098,635 0.046,636 -0.068,637 -0.134,638 0.003,639 -0.144,640 -0.066,641 -0.282,642 -0.1,643 0.564,644 0.903,645 0.87,646 20.514,647 0.993,648 1.14,649 2.371,650 5.622,651 0.647,652 3.296,653 3.584,654 3.871,655 4.127,656 4.263,657 4.344,658 4.489,659 4.615,660 4.644,661 4.663,662 6.111,663 0.608,664 310.45,665 3.296,666 4.812,667 5.659,668 6.521,669 7.383,670 8.253,671 9.123,672 9.998,673 10.874,674 11.753,675 13.3,677 1,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 45,716 15,717 1,718 26,720 48,721 17,722 10,723 3,724 3,730 4,731 5,743 2,745 10,746 7,760 1,761 1,764 22,765 4,766 2,767 6,773 6,777 0.75,788 1,792 2,793 2,796 1,814 1,815 1,819 3,827 23,833 7,834 1,838 1,844 1,854 10.5,855 7.8,856 5.083,857 2.83,858 2.794,859 1.386,860 1.028,861 4.309,862 10.033,863 3.541,864 4.119,865 4.745,866 5.36,867 5.784,868 6.221,869 6.697,870 7.136,871 7.328,872 7.547,873 0.857,874 31,875 8.487,877 3.557,878 7.42,879 16.89,881 14.137,883 1.92,884 44.167,885 0.001,888 235.422,889 80.97,890 73.146,895 80.97,896 235.422,897 73.146,899 15.598,900 55.487,901 74.105,902 30.324,903 13.915,904 200.109,906 235.422,907 154.116,911 211.88,912 23.542,915 72.654,916 48.136,917 33.326,919 235.422,920 73.146,921 80.97,924 235.422,925 26.257,926 59.737,927 34.796,928 33.326,929 235.422,930 73.146,931 80.97,933 0.569,934 0.334,935 0.184,936 0.089,937 18,938 6,939 0.104,940 5,941 1,942 1.1,943 3.762,944 182.445,945 0.1,946 20,947 96.042,951 14.729,952 6.728,953 3.258,954 2.496,955 54.461,956 12.056,957 7.769,958 3.385,961 2.496,962 1.941,963 34.796,964 389.538,965 33.5,975 44.68,976 51.311,977 0.259,978 0.631,979 0.79,980 0.871,981 0.871,982 0.871,983 4.751,984 1.075,985 5.602,986 3.181,987 4.263,988 4.804,989 0.824,990 6.372,991 4.171,992 5.918,993 1,994 7.124,995 2.383,996 3.611,997 4.477,998 0.325,999 7.182,1000 3.483,1001 7.202,1002 0.882,1003 8.75,1004 2.136,1005 5.802,1006 7.012,1007 0.413,1008 10.296,1009 5.63,1010 8.531,1011 0.618,1012 10.443,1013 2.064,1014 6.089,1015 7.693,1016 0.268,1017 12.018,1018 5.889,1019 9.903,1020 0.585,1021 12.181,1022 1.416,1023 7.641,1024 9.588,1025 0.246,1026 14.601,1027 7.407,1028 11.304,1029 -0.067,1030 13.95,1031 1.372,1032 8.363,1033 10.721,1034 0.188,1035 16.678,1036 8.112,1037 12.728,1038 -0.561,1039 15.74,1040 -0.162,1041 9.653,1042 12.371,1043 0.157,1044 19.09,1045 9.375,1046 3.118,1047 -0.797,1048 17.547,1049 -1.357,1050 10.583,1051 13.708,1052 0.125,1053 21.312,1054 10.294,1055 2.753,1056 10.431,1057 19.365,1058 -1.964,1059 11.764,1060 15.263,1061 0.102,1062 23.668,1063 11.456,1064 2.52,1065 8.884,1066 21.193,1067 4.518,1068 12.793,1069 16.691,1070 0.082,1071 25.951,1072 12.476,1073 2.038,1074 6.968,1075 23.028,1076 3.731,1077 13.932,1078 18.211,1079 0.067,1080 28.289,1081 13.6,1082 1.778,1083 6.002,1084 24.87,1085 2.813,1086 15.008,1087 19.679,1088 0.054,1089 30.6,1090 14.667,1091 1.551,1092 4.655,1093 26.716,1094 2.595,1095 16.134,1096 21.187,1097 0.043,1098 32.934,1099 15.78,1100 1.294,1101 3.509,1102 28.566,1103 2.511,1104 17.234,1105 22.674,1106 0.035,1107 35.259,1108 16.87,1109 6044,1110 9095,1111 18.375,1112 29.125,1113 38.831,1114 38.294,1115 38.43,1116 38.397,1117 38.422,1118 49.625,1119 2.4,1120 106.002,1121 36.633,1122 5.568,1123 5.196,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1132 1.494,1133 1.473,1134 1.478,1135 1.477,1136 1.478,1137 1.909,1138 0.092,1139 4.077,1140 1.409,1141 4.152,1142 4.19,1143 4.112,1144 4.06,1145 5.135,1146 4.068,1147 3.843,1148 3.921,1149 3.789,1150 3.639,1151 4.927,1152 3.651,1153 3.814,1154 3.893,1155 3.701,1156 3.572,1157 4.424,1158 3.608,1159 3.508,1160 3.582,1161 3.359,1162 3.351,1163 4.257,1164 3.348,1165 3.275,1166 3.345,1167 3.161,1168 3.103,1169 3.993,1170 3.107,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.754,1176 2.91,1177 3.005,1178 3.104,1179 2.864,1180 2.802,1181 3.514,1182 2.806,1183 2.842,1184 2.927,1185 2.666,1186 2.618,1187 3.474,1188 2.616,1189 0.176,1190 0.123,1191 0.253,1192 0.158,1193 0.12,1194 4.568,1195 0.174,1196 3.196,1197 0.031,1198 6.566,1199 0.401,1200 4.099,1201 0.118,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.051,1210 2.055,1211 1.345,1212 2.055,1213 1.79,1214 1.719,1215 1.995,1216 2.013,1217 1.223,1218 2.013,1219 1.635,1220 1.573,1221 1.85,1222 1.819,1223 1.093,1224 1.833,1225 1.403,1226 1.332,1227 1.579,1228 1.663,1229 0.825,1230 1.641,1231 1.301,1232 1.231,1233 1.513,1234 1.513,1235 0.721,1236 1.517,1237 1.153,1238 1.064,1239 1.48,1240 1.442,1241 0.579,1242 1.429,1243 1.078,1244 0.982,1245 1.243,1246 1.376,1247 0.387,1248 1.379,1249 0.929,1250 0.843,1251 1.219,1252 1.225,1253 0.23,1254 1.24,1255 3.97,1257 5.263,1258 3.045,1259 6.746,1260 5.283,1261 8.318,1262 7.286,1263 9.939,1271 8.07,1272 3.403,1276 2.55,1280 27.343,1281 64.029,1282 155.956,1283 195.159,1284 215.133,1285 215.133,1286 215.133,1287 23.558,1288 7.238,1289 61.77,1290 61.77,1291 22,1292 12.291,1293 4,1294 3.087,1295 31.991,1296 83,1297 83,1298 0.185,1299 167.468,1300 270.68,1301 400.382,1302 13936,1304 15.485,1305 0.673,1306 0.574,1307 15.485,1308 13.203,1309 11.399,1310 0.438,1311 0.319,1312 8.153,1313 10.909,1314 8.025,1315 6.621,1316 11.399,1317 8.281,1318 9.814,1319 0.28,1320 0.175,1321 9.814,1322 6.108,1323 8.581,1324 0.183,1325 0.098,1326 8.581,1327 4.598,1328 7.24,1329 0.119,1330 0.054,1331 7.24,1332 3.296,1333 5.34,1334 0.076,1335 0.031,1336 5.34,1337 2.187,1338 0.293,1339 71.535,1340 0.233,1341 22.89,1342 0.499,1343 122,1344 297.246,1345 132.491,1346 293.045,1347 414.3,1348 278,1349 143,1350 318.49,1351 154.851,1352 322.739,1353 468.02,1354 304,1355 7.509} {0 CHEMBL27403,1 1.657,2 8.583,3 4.302,4 18.509,5 87.295,6 8.156,7 0.556,8 3.853,9 3.977,10 3.497,11 3.343,12 4.954,13 3.359,14 4.458,15 4.646,16 3.982,17 3.758,18 6.03,19 3.773,20 4.644,21 4.853,22 3.958,23 3.929,24 5.755,25 3.893,26 4.774,27 5.018,28 3.914,29 3.916,30 5.898,31 3.868,32 4.676,33 4.933,34 3.81,35 3.819,36 5.825,37 3.763,38 4.494,39 4.706,40 3.684,41 3.751,42 5.565,43 3.668,44 4.517,45 4.767,46 3.629,47 3.616,48 5.668,49 3.542,50 4.394,51 4.639,52 3.522,53 3.375,54 5.712,55 3.358,56 0.112,57 0.863,58 7.175,59 3.611,60 17.942,61 4.382,62 0.882,63 1.701,64 17.335,65 5.748,66 128.924,67 7.291,68 0.447,69 1.571,70 20.476,71 7.863,72 27.107,73 10.295,74 0.671,75 1.658,76 26.904,77 8.875,78 79.797,79 11.625,80 0.762,81 1.458,82 25.014,83 7.586,84 74.417,85 10.498,86 0.455,87 1.3,88 17.835,89 7.357,90 22.529,91 9.833,92 0.534,93 1.321,94 20.863,95 7.366,96 37.244,97 9.993,98 0.483,99 1.35,100 19.167,101 6.659,102 58.528,103 7.615,104 18,105 41,106 0.291,107 0.599,108 0.723,109 0.807,110 0.816,111 0.816,112 3.23,113 0.872,114 -4.16,115 -4.1,116 -3.88,119 41.5,124 1,125 4,131 1,140 5,141 1,144 1,145 1,149 1,150 2,169 4,171 1,172 4,178 2,181 3,182 6,189 1,193 5,199 2,202 1,203 2,211 4,214 1,215 2,222 2,226 2,237 2,249 1,259 694,260 15.85,261 15.85,262 15.85,263 15.85,264 15.85,265 14.258,266 16.561,267 8.97,268 16.474,269 13.338,270 13.338,271 13.338,272 13.338,273 13.338,274 10.813,275 22.689,276 4.262,277 14.448,278 3.701,279 1.949,280 1.247,281 0.769,282 0.72,283 0.72,284 3.923,288 1,289 1,290 449,291 3.162,294 40.221,295 155.776,298 71.181,299 80.284,302 1.299,303 34.158,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 54.5,315 206,316 4.754,317 4.461,318 7.124,319 4.271,320 3.36,321 4.815,322 3.825,323 11.811,324 3.119,325 4.419,326 3.357,327 6.897,328 4.118,329 3.23,330 3.897,331 0.8,332 11.504,333 2.843,334 3.984,335 2.942,336 6.23,337 3.651,338 2.722,339 3.395,340 0.8,341 9.21,342 2.511,343 3.755,344 2.614,345 5.672,346 3.353,347 2.408,348 3.161,350 7.5,351 2.258,352 3.381,353 2.407,354 5.098,355 3.142,356 2.227,357 2.454,359 6.162,360 2.035,361 2.958,362 1.857,363 4.777,364 2.586,365 1.649,366 2.104,368 4.997,369 1.544,370 2.945,371 1.77,372 4.56,373 2.504,374 1.579,375 2.07,377 4.555,378 1.419,379 2.646,380 1.273,381 3.971,382 2.218,383 1.241,384 1.688,386 3.104,387 1.209,388 2.355,389 1.146,390 3.654,391 1.967,392 1,393 1.287,395 2.275,396 0.965,397 2.085,398 0.903,399 3.414,400 1.841,401 0.873,402 1,404 2.18,405 0.841,406 2,407 0.694,408 3.392,409 1.605,410 0.651,411 0.916,413 1.783,414 0.62,415 1.225,416 0.51,417 2.918,418 0.874,419 -0.076,420 -0.088,422 -0.185,423 -0.072,424 0.923,425 0.51,426 2.802,427 0.55,428 -0.401,429 -0.509,431 -1.039,432 -0.379,433 0.73,434 0.058,435 2.382,436 0.381,437 -0.585,438 -0.799,440 -1.69,441 -0.562,442 0.438,443 -0.218,444 2.292,445 -0.067,446 -1,447 -1,449 -2.966,450 -0.7,451 10.957,452 0.457,453 0.826,454 0.034,455 29.5,456 1.229,457 12.5,458 0.521,459 17,460 0.708,461 19.38,462 0.808,463 26.843,464 0.655,465 22.969,466 0.957,467 5.958,468 0.248,469 5.474,470 0.228,471 0.124,472 0.046,473 0.338,476 3,479 0.578,480 1.175,481 0.634,482 1.179,483 0.545,484 0.997,485 0.533,486 0.741,487 0.711,488 0.779,489 0.301,490 0.78,491 0.573,492 0.846,493 0.834,494 1.019,495 0.406,496 1.017,497 0.874,498 0.974,499 0.93,500 0.982,501 0.796,502 0.972,503 0.701,504 0.633,505 0.887,506 0.74,507 0.612,508 0.832,509 0.426,510 0.81,511 0.932,512 1.257,513 0.485,514 1.297,515 0.594,516 0.928,517 0.814,518 1.149,519 0.661,520 1.103,521 1.291,522 1.434,523 0.995,524 1.252,525 1.316,526 1.085,527 6,528 0.099,529 3.556,530 1.556,531 1.706,532 1.014,533 0.664,534 0.594,535 0.338,536 0.104,537 5806,538 18184,539 2.099,540 41.5,542 16,543 1,550 1.675,551 1.933,552 3.077,553 -0.699,555 1,559 67.931,560 1.657,561 3.408,562 4.111,563 4.589,564 4.638,565 4.638,566 2.485,567 4.105,568 4.555,569 3.214,570 887.072,571 7.891,572 9935.31,574 1,576 1,577 219.66,578 1.666,579 4.495,580 0.222,581 0.02,582 0.087,583 0.038,584 0.045,585 0.03,586 0.023,587 0.023,588 0.015,589 0.01,590 0.513,591 0.67,592 1,593 0.813,594 111.187,595 -0.032,596 -0.228,597 0.057,598 -0.14,599 -0.071,600 -0.045,601 0.318,602 0.25,603 0.145,604 0.166,605 0.466,606 0.123,607 -0.005,608 -0.052,609 -0.009,610 -0.062,611 0.064,612 -0.043,613 -0.089,614 -0.124,615 0.011,616 -0.023,617 -0.044,618 0.021,619 0.033,620 0.16,621 0.058,622 0.179,623 0.041,624 0.146,625 0.153,626 -0.006,627 -0.095,628 -0.256,629 0.032,630 -0.282,631 0.159,632 -0.112,633 0.142,634 -0.169,635 0.068,636 -0.072,637 -0.096,638 -0.363,639 0.067,640 -0.247,641 -0.042,642 -0.088,643 5.616,644 5.017,645 0.792,646 17.653,647 1.025,648 1.154,649 2.929,650 8.58,651 0.657,652 3.332,653 3.738,654 4.025,655 4.331,656 4.635,657 4.828,658 5.05,659 5.204,660 5.303,661 5.313,662 5.184,663 0.645,664 334.38,665 3.332,666 4.92,667 5.796,668 6.715,669 7.615,670 8.538,671 9.448,672 10.372,673 11.289,674 12.214,675 9.8,678 1,681 1,683 1,685 1,687 3,688 6,689 1,693 2,695 15,709 1,714 41,716 15,717 1,718 27,720 44,721 17,722 11,723 3,724 3,730 4,731 7,736 1,742 1,745 11,746 6,761 1,762 3,764 17,765 6,767 7,773 4,777 0.5,783 1,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 1,825 3,827 24,833 4,838 2,839 1,846 3,854 12.417,855 7.729,856 4.972,857 2.461,858 3.185,859 1.421,860 1.038,861 3.609,862 10.756,863 3.57,864 4.252,865 4.931,866 5.63,867 6.272,868 6.806,869 7.348,870 7.823,871 8.184,872 8.401,873 0.833,874 41,875 9.311,877 4.479,878 8.108,879 16.742,881 14.26,883 2.608,884 62.583,887 1,888 200.109,889 92.953,890 24.321,893 44.88,895 92.953,896 200.109,897 69.201,898 8.396,899 8.423,900 56.429,901 16.786,902 57.745,903 18.387,904 188.338,905 7.76,906 200.109,907 117.274,908 44.88,911 200.109,912 44.88,915 22.737,916 77.751,917 16.786,919 244.989,920 24.321,921 92.953,924 207.868,925 20.369,926 72.36,928 61.666,929 200.109,930 69.201,931 92.953,933 0.606,934 0.345,935 0.18,936 0.104,937 23,938 10,939 0.023,940 1,941 2,942 1.211,943 3.482,944 212.34,945 0.211,946 19,947 101.284,951 15.584,952 5.557,953 2.726,954 1.968,955 67.914,956 9.455,957 4.585,961 0.082,964 362.263,965 34.5,975 42.014,976 47.334,977 0.309,978 0.636,979 0.767,980 0.857,981 0.866,982 0.866,983 4.858,984 1.241,985 5.849,986 4.555,987 4.419,988 4.938,989 3.125,990 6.753,991 4.268,992 6.111,993 1,994 7.475,995 3.104,996 4.29,997 4.977,998 3.919,999 7.984,1000 3.952,1001 7.465,1002 0.873,1003 9.209,1004 2.275,1005 6.155,1006 7.279,1007 5.424,1008 11.036,1009 5.831,1010 8.858,1011 0.651,1012 11.008,1013 2.18,1014 6.804,1015 8.151,1016 6.69,1017 13.033,1018 6.3,1019 10.284,1020 -0.076,1021 12.847,1022 1.783,1023 8.216,1024 9.981,1025 8.058,1026 15.676,1027 7.698,1028 11.734,1029 -0.401,1030 14.713,1031 -0.185,1032 9.182,1033 11.23,1034 9.389,1035 17.952,1036 8.514,1037 13.202,1038 -0.585,1039 16.598,1040 -1.039,1041 10.442,1042 12.884,1043 10.734,1044 20.468,1045 9.727,1046 3.36,1047 -1,1048 18.496,1049 -1.69,1050 11.539,1051 14.306,1052 12.074,1053 22.851,1054 10.704,1055 3.23,1056 11.811,1057 20.404,1058 -2.966,1059 12.749,1060 15.896,1061 13.416,1062 25.326,1063 11.848,1064 2.722,1065 11.504,1066 22.32,1067 4.815,1068 13.9,1069 17.397,1070 14.758,1071 27.751,1072 12.897,1073 2.408,1074 9.21,1075 24.243,1076 3.897,1077 15.095,1078 18.967,1079 16.1,1080 30.212,1081 14.018,1082 2.227,1083 7.5,1084 26.17,1085 3.395,1086 16.271,1087 20.504,1088 17.441,1089 32.655,1090 15.103,1091 1.649,1092 6.162,1093 28.101,1094 3.161,1095 17.464,1096 22.069,1097 18.783,1098 35.113,1099 16.219,1100 1.579,1101 4.997,1102 30.036,1103 2.454,1104 18.65,1105 23.623,1106 20.124,1107 37.564,1108 17.321,1109 5587,1110 10103,1111 17.8,1112 26.927,1113 42.454,1114 41.558,1115 42.765,1116 42.142,1117 41.878,1118 53.576,1119 10.851,1120 130.162,1121 38.73,1122 5.754,1123 6.461,1124 6.596,1125 5.342,1126 5.36,1127 7.815,1128 5.335,1129 19.447,1130 5.119,1131 12.321,1132 1.572,1133 1.539,1134 1.584,1135 1.561,1136 1.551,1137 1.984,1138 0.402,1139 4.821,1140 1.434,1141 4.211,1142 4.251,1143 4.187,1144 4.086,1145 8.513,1146 4.106,1147 3.816,1148 3.886,1149 3.753,1150 3.685,1151 7.999,1152 3.691,1153 3.754,1154 3.795,1155 3.668,1156 3.582,1157 7.999,1158 3.592,1159 3.322,1160 3.384,1161 3.318,1162 3.08,1163 5.069,1164 3.115,1165 3.248,1166 3.322,1167 3.154,1168 2.986,1169 4.532,1170 3.02,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 4.405,1176 2.91,1177 3.023,1178 3.103,1179 2.855,1180 2.832,1181 4.197,1182 2.823,1183 2.734,1184 2.814,1185 2.616,1186 2.593,1187 3.777,1188 2.577,1189 0.176,1190 0.165,1191 0.264,1192 0.158,1193 0.124,1194 4.754,1195 0.178,1196 4.461,1197 0.142,1198 7.124,1199 0.437,1200 4.271,1201 0.116,1202 3.36,1203 4.815,1204 3.825,1205 11.811,1206 3.119,1207 2.052,1208 2.021,1209 2.105,1210 2.19,1211 1.313,1212 2.166,1213 1.769,1214 1.703,1215 1.97,1216 1.985,1217 1.217,1218 1.986,1219 1.547,1220 1.506,1221 1.689,1222 1.715,1223 0.825,1224 1.687,1225 1.463,1226 1.416,1227 1.594,1228 1.626,1229 0.804,1230 1.631,1231 1.162,1232 1.064,1233 1.513,1234 1.448,1235 0.675,1236 1.474,1237 1.153,1238 1.06,1239 1.513,1240 1.376,1241 0.626,1242 1.429,1243 0.967,1244 0.908,1245 1.184,1246 1.276,1247 0.262,1248 1.203,1249 0.907,1250 0.866,1251 1.033,1252 1.151,1253 0.201,1254 1.141,1255 4.007,1257 5.389,1258 2.398,1259 6.963,1260 4.595,1261 8.627,1262 6.629,1263 10.34,1265 2.063,1267 39.052,1271 3.452,1276 4.379,1277 -4.366,1280 26.45,1281 67.931,1282 139.732,1283 168.54,1284 188.15,1285 190.15,1286 190.15,1287 40.502,1288 7.571,1289 23.78,1290 23.78,1291 23,1292 12.721,1293 4,1294 3.087,1295 33.653,1296 76,1297 80,1298 0.23,1299 157.474,1300 266.89,1301 375.997,1302 17998,1303 7.3,1304 16.897,1305 0.704,1306 0.551,1307 14.397,1308 13.215,1309 11.432,1310 0.423,1311 0.291,1312 7.669,1313 10.774,1314 7.544,1315 6.162,1316 10.22,1317 7.849,1318 11.478,1319 0.28,1320 0.151,1321 9.52,1322 6.19,1323 9.232,1324 0.168,1325 0.083,1326 8.269,1327 4.569,1328 7.77,1329 0.104,1330 0.043,1331 7.218,1332 3.189,1333 6.617,1334 0.065,1335 0.023,1336 6.145,1337 2.317,1338 0.346,1339 73.058,1340 0.237,1341 22.76,1342 0.676,1343 136,1344 542.914,1345 162.037,1346 444.804,1347 590.87,1348 414,1349 164,1350 426.268,1351 185.772,1352 412.264,1353 631.62,1354 387,1355 7.456} {0 CHEMBL274256,1 1.47,2 16.22,3 5.409,4 29.256,5 160.828,6 7.074,7 0.5,8 4.45,9 4.57,10 3.989,11 3.983,12 5.494,13 3.956,14 5.02,15 5.211,16 4.383,17 4.398,18 5.98,19 4.36,20 5.246,21 5.438,22 4.478,23 4.603,24 6.21,25 4.535,26 5.429,27 5.646,28 4.468,29 4.692,30 6.38,31 4.587,32 5.5,33 5.749,34 4.41,35 4.672,36 6.375,37 4.55,38 5.406,39 5.65,40 4.348,41 4.614,42 6.267,43 4.491,44 5.378,45 5.625,46 4.284,47 4.547,48 6.249,49 4.418,50 5.304,51 5.553,52 4.243,53 4.447,54 6.244,55 4.341,56 0.081,57 1.141,58 17.077,59 7.28,60 14.439,61 9.867,62 0.382,63 1.903,64 33.022,65 11.811,66 31.961,67 16.693,68 0.41,69 2.35,70 41.333,71 15.307,72 39.731,73 21.423,74 0.408,75 2.663,76 50.808,77 19.162,78 63.013,79 26.836,80 0.598,81 2.685,82 56.882,83 20.717,84 73.497,85 29.233,86 0.531,87 2.511,88 51.019,89 18.84,90 57.187,91 26.833,92 0.544,93 2.394,94 50.089,95 18.496,96 60.593,97 26.18,98 0.466,99 2.234,100 46.844,101 15.949,102 69.852,103 22.824,104 51,105 68,106 0.224,107 0.538,108 0.741,109 0.811,110 0.834,111 0.834,112 3.741,113 0.929,114 -6.18,115 -6.02,116 -5.6,119 42.3,120 4,121 1,124 2,125 3,127 2,140 9,141 6,142 3,147 1,156 1,159 1,164 1,169 16,171 3,172 13,178 20,181 2,182 16,189 19,192 1,193 15,199 18,202 1,203 11,211 21,214 2,215 10,222 17,225 2,226 15,233 10,237 17,244 7,248 1,249 12,256 11,259 3501,260 27.557,261 27.557,262 27.557,263 27.557,264 27.557,265 24.794,266 32.356,267 15.542,268 28.12,269 22.559,270 22.559,271 22.559,272 22.559,273 22.559,274 18.18,275 46.01,276 7.249,277 23.365,278 4.815,279 2.749,280 1.411,281 0.949,282 0.802,283 0.802,284 4.45,290 1470,291 3.464,294 238.286,295 539.984,298 187.03,302 2.528,303 30.262,306 0.5,307 0.5,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.7,314 87.5,315 665,316 4.536,317 3.757,318 6.808,319 4.219,320 3.255,321 4.165,322 1.2,323 11.234,324 3.139,325 4.438,326 3.391,327 6.525,328 4.062,329 3.074,330 4.137,331 0.86,332 10.223,333 3.045,334 4.25,335 3.155,336 6.479,337 3.983,338 3.032,339 3.851,340 0.8,341 10.062,342 2.881,343 4.153,344 3.107,345 6.241,346 3.814,347 2.844,348 3.628,349 0.8,350 9.102,351 2.753,352 3.983,353 2.896,354 6.148,355 3.741,356 2.779,357 3.303,358 0.293,359 9.036,360 2.679,361 3.81,362 2.853,363 5.99,364 3.516,365 2.542,366 3.051,368 8.356,369 2.454,370 3.637,371 2.455,372 5.292,373 3.239,374 2.254,375 2.912,377 6.461,378 2.216,379 3.365,380 2.406,381 5.162,382 3.02,383 2.069,384 2.634,386 6.244,387 1.982,388 3.215,389 2.198,390 5.021,391 2.888,392 1.922,393 2.4,395 5.619,396 1.84,397 2.948,398 1.982,399 4.906,400 2.856,401 1.879,402 2.054,404 5.225,405 1.833,406 2.879,407 1.941,408 4.879,409 2.632,410 1.672,411 1.879,413 5.189,414 1.595,415 2.766,416 1.813,417 4.436,418 2.415,419 1.437,420 1.872,422 4.139,423 1.402,424 2.705,425 1.571,426 4.115,427 2.304,428 1.323,429 1.738,431 3.395,432 1.296,433 2.572,434 1.405,435 3.981,436 2.124,437 1.149,438 1.601,440 3.212,441 1.116,442 2.5,443 1.176,444 3.778,445 2,446 1,447 1.5,449 2.314,450 1,451 19.5,452 0.476,453 1.202,454 0.029,455 52.25,456 1.274,457 25,458 0.61,459 27.25,460 0.665,461 43.228,462 1.054,463 44.1,464 0.565,465 44.244,466 1.079,467 10.113,468 0.247,469 9.614,470 0.234,471 0.171,473 0.421,479 0.72,480 1.397,481 0.806,482 1.161,483 0.629,484 1.021,485 0.962,486 0.998,487 0.788,488 0.812,489 0.582,490 0.774,491 1.028,492 1.051,493 1.03,494 1.009,495 0.804,496 1.008,497 0.994,498 1.111,499 1.088,500 1.149,501 1.252,502 1.131,503 1.069,504 0.945,505 0.974,506 0.957,507 1.177,508 0.96,509 0.884,510 0.967,511 0.997,512 1.011,513 0.828,514 1.017,515 0.922,516 1.043,517 0.985,518 1.055,519 0.802,520 1.039,521 1.206,522 1.009,523 0.999,524 0.969,525 1.532,526 0.955,527 9,528 0.32,529 6.222,530 3.479,531 2.894,532 1.893,533 1.448,534 0.843,535 0.582,536 0.388,537 30852,538 70461,539 2.102,540 47.4,541 3,542 23,546 3,547 8,550 1.803,551 1.937,552 3.932,553 -0.8,559 114.682,560 1.47,561 3.536,562 4.874,563 5.336,564 5.484,565 5.484,566 3.401,567 5.065,568 5.327,569 4.136,570 3391.39,571 9.392,572 60533.7,577 490.261,578 1.489,579 5.275,580 0.196,581 0.008,582 0.092,583 0.048,584 0.042,585 0.029,586 0.024,587 0.015,588 0.011,589 0.008,590 0.471,591 0.17,592 0.63,593 0.697,594 234.921,595 0.101,596 -0.207,597 0.088,598 -0.084,599 0.003,600 -0.016,601 0.055,602 0.129,603 0.175,604 0.182,605 0.116,606 0.192,607 -0.076,608 0.061,609 -0.079,610 -0.003,611 0.025,612 -0.032,613 -0.073,614 -0.078,615 -0.128,616 -0.14,617 -0.059,618 -0.138,619 -0.049,620 0.006,621 0.018,622 0.04,623 -0.071,624 0.037,625 0.004,626 0.019,627 -0.024,628 -0.012,629 -0.023,630 -0.018,631 0.044,632 -0.089,634 -0.053,635 0.103,636 -0.038,637 -0.094,638 -0.026,639 0.008,640 -0.001,641 -0.016,642 0.017,643 1.647,644 6.769,645 0.78,646 55.229,647 0.995,648 1.125,649 4.951,650 24.516,651 0.661,652 3.85,653 4.234,654 4.564,655 4.844,656 5.081,657 5.252,658 5.442,659 5.591,660 5.707,661 5.846,662 9.259,663 0.624,664 551.75,665 3.85,666 5.434,667 6.319,668 7.223,669 8.121,670 9.028,671 9.931,672 10.839,673 11.744,674 12.654,675 6.4,678 1,681 1,682 1,685 2,688 9,689 2,691 1,693 11,695 23,703 1,709 1,712 1,714 78,716 24,717 3,718 46,720 83,721 33,722 20,723 9,724 9,725 1,730 6,731 7,736 4,740 3,743 3,745 21,746 12,750 1,755 1,759 1,764 37,765 8,767 8,773 5,777 0.833,778 3,792 2,793 4,796 1,815 1,819 5,823 6,827 41,833 4,835 1,837 2,838 3,847 3.8,850 1,852 2,854 21.167,855 16.167,856 8.806,857 4.842,858 4.187,859 1.453,860 0.987,861 7.455,862 13.434,863 4.086,864 4.707,865 5.311,866 5.88,867 6.392,868 6.746,869 7.195,870 7.566,871 7.918,872 8.314,873 0.909,874 73,875 15.199,877 6.513,878 7.565,879 29.623,881 24.955,883 2.065,884 84.667,888 435.531,889 190.641,890 45.755,892 45.879,895 190.641,896 481.41,897 45.755,898 54.58,899 11.976,900 85.286,901 71.252,902 59.181,904 435.531,906 435.531,907 236.396,908 45.879,911 343.69,912 140.048,915 55.421,916 142.265,917 36.382,919 435.531,920 91.634,921 190.641,924 435.531,925 50.775,926 149.239,928 82.261,929 435.531,930 91.634,931 190.641,933 0.599,934 0.366,935 0.194,936 0.102,937 35,938 17,939 0.06,940 5,941 1,942 1.063,943 4.967,944 432.148,945 0.063,946 32,947 209.66,951 27.653,952 11.053,953 5.187,955 91.634,956 18.326,957 8.354,959 5.127,961 10.056,964 717.806,965 58.5,970 13.769,974 0.02,975 77.629,976 87.763,977 0.234,978 0.563,979 0.775,980 0.849,981 0.872,982 0.872,983 5.369,984 2.069,985 6.337,986 6.461,987 4.92,988 5.396,989 1.985,990 7.203,991 4.856,992 6.588,993 1.922,994 7.938,995 6.244,996 4.635,997 5.255,998 0.766,999 8.186,1000 4.535,1001 7.911,1002 1.879,1003 9.634,1004 5.619,1005 6.581,1006 7.575,1007 1.879,1008 11.3,1009 6.453,1010 9.266,1011 1.672,1012 11.383,1013 5.225,1014 7.091,1015 8.23,1016 0.931,1017 13.07,1018 6.925,1019 10.651,1020 1.437,1021 13.165,1022 5.189,1023 8.524,1024 10.04,1025 1.952,1026 15.705,1027 8.333,1028 12.056,1029 1.323,1030 14.971,1031 4.139,1032 9.378,1033 11.058,1034 1.142,1035 17.802,1036 9.149,1037 13.476,1038 1.149,1039 16.792,1040 3.395,1041 10.622,1042 12.657,1043 2.113,1044 20.268,1045 10.367,1046 3.255,1047 1,1048 18.625,1049 3.212,1050 11.63,1051 13.857,1052 1.436,1053 22.511,1054 11.34,1055 3.074,1056 11.234,1057 20.467,1058 2.314,1059 12.802,1060 15.357,1061 2.33,1062 24.915,1063 12.485,1064 3.032,1065 10.223,1066 22.317,1067 4.165,1068 13.88,1069 16.653,1070 1.783,1071 27.227,1072 13.529,1073 2.844,1074 10.062,1075 24.173,1076 4.137,1077 15.027,1078 18.106,1079 2.586,1080 29.61,1081 14.647,1082 2.779,1083 9.102,1084 26.034,1085 3.851,1086 16.139,1087 19.453,1088 2.156,1089 31.958,1090 15.726,1091 2.542,1092 9.036,1093 27.899,1094 3.628,1095 17.28,1096 20.884,1097 2.87,1098 34.338,1099 16.837,1100 2.254,1101 8.356,1102 29.767,1103 3.303,1104 18.408,1105 22.259,1106 2.541,1107 36.705,1108 17.933,1109 28500,1110 43367,1111 30.46,1112 51.574,1113 71.241,1114 72.153,1115 73.895,1116 70.49,1117 70.55,1118 88.926,1119 7.906,1120 214.117,1121 68.283,1122 5.536,1123 5.757,1124 6.331,1125 5.286,1126 5.255,1127 7.165,1128 2.293,1129 18.642,1130 5.139,1131 23.873,1132 1.549,1133 1.569,1134 1.606,1135 1.532,1136 1.534,1137 1.933,1138 0.172,1139 4.655,1140 1.484,1141 4.094,1142 4.124,1143 4.048,1144 4.015,1145 7.428,1146 4.018,1147 4.003,1148 4.031,1149 3.961,1150 3.923,1151 5.295,1152 3.928,1153 3.876,1154 3.924,1155 3.828,1156 3.755,1157 4.86,1158 3.762,1159 3.824,1160 3.867,1161 3.733,1162 3.667,1163 4.781,1164 3.673,1165 3.684,1166 3.715,1167 3.63,1168 3.467,1169 4.545,1170 3.51,1171 3.482,1172 3.531,1173 3.391,1174 3.296,1175 4.44,1176 3.31,1177 3.367,1178 3.452,1179 3.151,1180 3.217,1181 4.393,1182 3.19,1183 3.225,1184 3.311,1185 3.109,1186 3.05,1187 3.96,1188 3.05,1189 0.099,1190 0.082,1191 0.148,1192 0.092,1193 0.071,1194 4.536,1195 0.091,1196 3.757,1197 0.026,1198 6.808,1199 0.244,1200 4.219,1201 0.068,1202 3.255,1203 4.165,1204 1.2,1205 11.234,1206 3.139,1207 2.013,1208 1.994,1209 2.098,1210 2.084,1211 1.36,1212 2.085,1213 1.925,1214 1.896,1215 2.054,1216 2.067,1217 1.246,1218 2.071,1219 1.807,1220 1.78,1221 1.929,1222 1.929,1223 1.171,1224 1.929,1225 1.765,1226 1.711,1227 1.91,1228 1.887,1229 1.043,1230 1.895,1231 1.487,1232 1.425,1233 1.733,1234 1.701,1235 0.97,1236 1.705,1237 1.436,1238 1.38,1239 1.716,1240 1.688,1241 0.956,1242 1.686,1243 1.405,1244 1.325,1245 1.695,1246 1.606,1247 0.736,1248 1.655,1249 1.262,1250 1.212,1251 1.568,1252 1.523,1253 0.651,1254 1.535,1255 4.533,1257 5.9,1258 3.045,1259 7.456,1260 5.352,1261 9.098,1262 7.402,1263 10.783,1265 12.283,1271 3.312,1273 5.83,1275 0.854,1276 6.737,1280 48.68,1281 114.682,1282 275.842,1283 380.183,1284 416.222,1285 427.732,1286 427.732,1287 68.234,1288 9.247,1289 74.94,1290 74.94,1291 34,1292 13.17,1293 4.644,1294 3.755,1295 59.74,1296 229,1297 248,1298 0.125,1299 293.789,1300 511.39,1301 708.605,1302 167006,1304 28.836,1305 0.703,1306 0.601,1307 28.836,1308 24.64,1309 19.728,1310 0.429,1311 0.31,1312 14.049,1313 18.953,1314 13.48,1315 11.23,1316 19.728,1317 14.246,1318 18.44,1319 0.271,1320 0.167,1321 18.44,1322 11.372,1323 16.575,1324 0.174,1325 0.091,1326 16.575,1327 8.676,1328 13.723,1329 0.109,1330 0.049,1331 13.723,1332 6.118,1333 10.849,1334 0.068,1335 0.026,1336 10.849,1337 4.132,1338 0.202,1339 123.563,1340 0.181,1341 36.926,1342 0.331,1343 228,1344 599.432,1345 248.153,1346 579.228,1347 815.45,1348 546,1349 277,1350 629.825,1351 299.153,1352 637.725,1353 936.52,1354 598,1355 7.8} {0 CHEMBL274866,1 1.654,2 6.438,3 2.356,4 5.55,5 57.216,6 7.94,7 0.353,8 3.483,9 3.615,10 3.077,11 2.938,12 4.588,13 2.949,14 4.093,15 4.285,16 3.543,17 3.309,18 5.835,19 3.309,20 4.281,21 4.527,22 3.411,23 3.437,24 5.401,25 3.376,26 4.294,27 4.547,28 3.278,29 3.339,30 5.487,31 3.268,32 4.153,33 4.421,34 3.188,35 3.178,36 5.363,37 3.097,38 3.984,39 4.244,40 2.963,41 2.95,42 5.139,43 2.887,44 3.907,45 4.188,46 2.747,47 2.474,48 5.344,49 2.525,50 3.398,51 3.706,52 2.132,53 1.563,54 5.122,55 1.721,56 0.116,57 0.636,58 5.464,59 2.707,60 22.001,61 3.304,62 0.79,63 1.247,64 13.071,65 4.204,66 129.603,67 5.463,68 0.417,69 1.035,70 16.234,71 5.556,72 33.697,73 7.605,74 0.56,75 1.008,76 17.856,77 5.967,78 76.612,79 7.517,80 0.552,81 0.827,82 15.833,83 4.917,84 50.508,85 6.784,86 0.392,87 0.751,88 13.149,89 4.218,90 63.814,91 5.374,92 0.674,93 0.693,94 14.559,95 3.3,96 114.487,97 3.228,98 0.677,99 0.333,100 10.12,101 1.391,102 91.024,103 1.085,104 11,105 24,106 0.328,107 0.602,108 0.684,109 0.794,110 0.794,111 0.794,112 2.853,113 0.918,114 -3.75,115 -3.71,116 -3.53,119 37.9,125 4,131 1,140 4,141 1,142 1,169 4,172 2,178 4,182 2,184 1,189 2,193 1,208 2,220 2,231 1,259 246,260 10.386,261 10.386,262 10.386,263 10.386,264 10.386,265 9.725,266 16.37,267 6.174,268 10.824,269 8.412,270 8.412,271 8.412,272 8.412,273 8.412,274 7.389,275 24.392,276 2.939,277 9.189,278 3.204,279 1.819,280 1.405,281 0.854,282 0.854,283 0.854,284 3.499,288 1,289 1,290 211,291 2.739,295 99.09,302 1.063,303 28.356,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 37.5,315 103,316 4.463,317 4.461,318 7.118,319 4.188,320 3.324,321 3.889,322 3.825,323 11.701,324 2.922,325 3.98,326 3.104,327 6.136,328 3.735,329 2.812,330 3.207,331 0.8,332 9.036,333 2.557,334 3.218,335 2.244,336 4.767,337 2.939,338 2,339 2.339,340 0.4,341 5.314,342 1.854,343 2.78,344 1.867,345 4.279,346 2.492,347 1.561,348 1.831,350 3.925,351 1.435,352 2.571,353 1.363,354 3.535,355 2.107,356 1.145,357 1.6,359 2.705,360 1.087,361 2.19,362 1.146,363 3.429,364 1.967,365 1,366 1.159,368 2.382,369 0.965,370 2,371 1.106,372 3.247,373 1.952,374 1,375 1,377 2.136,378 0.949,379 0.805,380 0.51,381 2.735,382 0.476,383 -0.493,384 -0.567,386 -1.163,387 -0.475,388 0.629,389 0.51,390 2.402,391 0.222,392 -0.756,393 -0.962,395 -1.941,396 -0.7,397 0.207,398 -0.345,399 2,400 -0.015,401 -1,402 -1,404 -2.347,405 -0.7,407 -0.488,408 2,409 -0.1,410 -1,411 -1,413 -2.578,414 -0.735,416 -0.6,417 1.649,418 -0.3,419 -1,420 -1,421 -0.4,422 -3,423 -0.9,425 -0.942,426 1.555,427 -0.3,428 -1,429 -1.258,430 -0.4,431 -3,432 -0.985,433 -0.5,434 -1.33,435 1.483,436 -0.738,437 -1.69,438 -1.963,439 -0.4,440 -4.789,441 -1.6,442 -0.575,443 -1.649,444 1.009,445 -0.957,446 -1.904,447 -2,448 -0.805,449 -5.351,450 -1.808,451 7.157,452 0.447,453 0.515,454 0.032,455 17,456 1.063,457 6.5,458 0.406,459 10.5,460 0.656,461 11.559,462 0.722,463 19.243,464 0.664,465 12.098,466 0.756,467 3.606,468 0.225,469 3.966,470 0.248,471 0.12,472 0.07,473 0.196,476 3,479 0.569,480 1.087,481 0.669,482 1.211,483 0.563,484 1.056,485 0.46,486 0.732,487 0.769,488 0.957,489 0.307,490 0.984,491 0.539,492 0.775,493 0.785,494 0.988,495 0.398,496 0.996,497 0.901,498 1.011,499 0.977,500 1.111,501 0.884,502 1.099,503 0.619,504 0.768,505 0.786,506 0.99,507 0.712,508 0.996,509 0.901,510 1.134,511 0.94,512 1.226,513 0.937,514 1.149,515 2.154,516 1.592,517 1.516,518 0.972,519 2.257,520 0.931,521 3.081,522 1.287,523 2.132,524 0.27,525 3.379,526 0.581,527 4,529 2,530 0.938,531 0.551,532 0.66,533 0.264,534 0.113,535 0.061,537 1793,538 6508,539 1.979,540 44.8,542 12,545 1,550 1.553,551 1.829,552 2.753,553 -0.168,555 1,556 1,557 1,559 47.967,560 1.654,561 3.039,562 3.453,563 4.004,564 4.004,565 4.004,566 2.203,567 3.031,568 3.976,569 2.836,570 340.36,571 6.701,572 2915.03,574 1,577 140.881,578 1.623,579 3.903,580 0.235,582 0.083,583 0.043,584 0.031,585 0.041,586 0.022,587 0.014,588 0.02,590 0.49,591 1,592 1,593 0.953,594 63.666,595 -0.041,596 -0.132,597 0.021,598 -0.07,599 -0.072,600 -0.014,601 0.372,602 0.261,603 0.085,604 0.043,605 0.483,606 -0.035,607 0.005,608 -0.065,609 0.049,610 -0.037,611 0.084,612 0.013,613 -0.079,614 -0.134,615 -0.049,616 -0.117,617 -0.057,618 -0.084,619 0.141,620 0.031,621 0.147,622 -0.033,623 0.028,624 0.017,625 -0.051,626 -0.274,627 0.013,628 -0.262,629 -0.08,630 -0.147,631 -0.435,632 -0.266,633 -0.271,634 -0.074,635 -0.441,636 -0.078,637 -0.478,638 0.489,639 -0.583,640 0.496,641 -0.64,642 0.072,643 5.51,644 4.504,645 0.75,646 8.469,647 1.032,648 1.17,649 2.518,650 6.34,651 0.626,652 2.89,653 3.219,654 3.367,655 3.526,656 3.738,657 3.638,658 3.689,659 3.497,660 3.367,661 3.135,662 4.098,663 0.617,664 230.26,665 2.89,666 4.419,667 5.231,668 6.103,669 6.94,670 7.812,671 8.659,672 9.529,673 10.38,674 11.249,675 6.9,677 1,681 1,688 4,693 2,695 6,709 1,714 29,716 6,717 1,718 17,720 30,721 11,722 6,723 2,724 4,730 2,731 2,736 1,742 1,745 6,746 5,761 1,762 3,764 13,765 5,766 1,767 5,773 2,777 1,793 2,814 1,819 2,825 3,827 16,833 4,834 1,838 1,839 1,846 3,854 8.75,855 4.962,856 3.444,857 1.725,858 1.188,859 1.204,860 0.972,861 3.173,862 7.005,863 3.045,864 3.541,865 3.975,866 4.426,867 4.904,868 4.909,869 5.13,870 4.888,871 4.817,872 4.66,873 1,874 22,875 6.287,877 3.012,878 8.443,879 10.938,881 8.901,883 2.943,884 47.083,885 0.001,888 141.253,889 60.03,890 21.135,893 44.88,895 60.03,896 141.253,897 66.015,899 8.423,900 55.916,902 53.947,904 141.253,905 7.76,906 141.253,907 81.165,908 44.88,911 141.253,912 44.88,915 34.193,916 46.972,919 186.134,920 21.135,921 60.03,924 149.013,925 14.365,926 41.029,927 18.011,928 44.88,929 141.253,930 66.015,931 60.03,933 0.589,934 0.318,935 0.156,936 0.088,937 12,938 5,939 0.033,940 1,942 1,943 2.775,944 105.291,946 12,947 55.245,951 11.434,952 4.44,953 2.758,955 66.015,956 5.498,961 0.069,963 18.011,964 267.298,965 20,975 29.927,976 33.922,977 0.34,978 0.626,979 0.711,980 0.824,981 0.824,982 0.824,983 4.297,984 -0.493,985 5.273,986 2.136,987 3.892,988 4.22,989 3.097,990 6.116,991 3.724,992 5.49,993 -0.756,994 6.868,995 -1.163,996 3.761,997 4.06,998 3.911,999 7.424,1000 3.32,1001 6.803,1002 -1,1003 8.591,1004 -1.941,1005 5.595,1006 6.275,1007 5.423,1008 10.37,1009 5.212,1010 8.153,1011 -1,1012 10.391,1013 -2.347,1014 6.256,1015 6.869,1016 6.69,1017 12.439,1018 5.59,1019 9.541,1020 -1,1021 12.24,1022 -2.578,1023 7.664,1024 8.66,1025 8.058,1026 15.022,1027 7.017,1028 10.952,1029 -1,1030 14.118,1031 -3,1032 8.638,1033 9.595,1034 9.389,1035 17.335,1036 7.752,1037 12.38,1038 -1.69,1039 16.017,1040 -3,1041 9.897,1042 11.19,1043 10.734,1044 19.82,1045 8.97,1046 3.324,1047 -1.904,1048 17.929,1049 -4.789,1050 10.997,1051 12.3,1052 12.074,1053 22.218,1054 9.874,1055 2.812,1056 11.701,1057 19.852,1058 -5.351,1059 12.205,1060 13.793,1061 13.416,1062 24.677,1063 10.999,1064 2,1065 9.036,1066 21.781,1067 3.889,1068 13.356,1069 15.001,1070 14.758,1071 27.109,1072 11.983,1073 1.561,1074 5.314,1075 23.716,1076 3.207,1077 14.548,1078 16.437,1079 16.1,1080 29.563,1081 13.069,1082 1.145,1083 3.925,1084 25.656,1085 2.339,1086 15.722,1087 17.704,1088 17.441,1089 32.008,1090 14.093,1091 1,1092 2.705,1093 27.599,1094 1.831,1095 16.912,1096 19.107,1097 18.783,1098 34.463,1099 15.163,1100 1,1101 2.382,1102 29.544,1103 1.6,1104 18.096,1105 20.409,1106 20.124,1107 36.915,1108 16.205,1109 1865,1110 3680,1111 10.92,1112 18.154,1113 25.932,1114 24.984,1115 25.493,1116 25.912,1117 25.684,1118 30.051,1119 10.051,1120 74.396,1121 23.537,1122 5.463,1123 6.461,1124 6.92,1125 5.256,1126 5.324,1127 6.889,1128 5.335,1129 18.731,1130 4.922,1131 7.712,1132 1.525,1133 1.47,1134 1.5,1135 1.524,1136 1.511,1137 1.768,1138 0.591,1139 4.376,1140 1.385,1141 3.974,1142 4.016,1143 3.924,1144 3.876,1145 8.513,1146 3.88,1147 3.722,1148 3.79,1149 3.613,1150 3.528,1151 7.999,1152 3.535,1153 3.312,1154 3.361,1155 3.311,1156 3.011,1157 7.999,1158 3.064,1159 3.111,1160 3.206,1161 2.866,1162 2.941,1163 4.715,1164 2.91,1165 2.974,1166 3.069,1167 2.839,1168 2.77,1169 4.356,1170 2.772,1171 2.663,1172 2.754,1173 2.508,1174 2.386,1175 3.755,1176 2.401,1177 2.533,1178 2.615,1179 2.36,1180 2.257,1181 3.564,1182 2.291,1183 2.094,1184 2.271,1185 1.596,1186 1.756,1187 3.474,1188 1.691,1189 0.263,1190 0.262,1191 0.419,1192 0.246,1193 0.196,1194 4.463,1195 0.229,1196 4.461,1197 0.225,1198 7.118,1199 0.688,1200 4.188,1201 0.172,1202 3.324,1203 3.889,1204 3.825,1205 11.701,1206 2.922,1207 1.926,1208 1.895,1209 2.043,1210 2.061,1211 1.277,1212 2.058,1213 1.681,1214 1.61,1215 1.89,1216 1.886,1217 1.054,1218 1.889,1219 1.153,1220 1.064,1221 1.513,1222 1.438,1223 0.825,1224 1.429,1225 1.1,1226 1.06,1227 1.222,1228 1.376,1229 0.379,1230 1.346,1231 0.932,1232 0.855,1233 1.201,1234 1.211,1235 0.261,1236 1.214,1237 0.631,1238 0.523,1239 0.993,1240 0.91,1241 0.103,1242 0.943,1243 0.426,1244 0.353,1245 0.785,1246 0.765,1248 0.767,1249 0.172,1250 0.002,1251 0.642,1252 0.563,1254 0.65,1255 3.555,1257 4.875,1259 6.395,1261 7.994,1263 9.631,1267 37.513,1271 3.134,1272 3.165,1276 1.964,1277 -4.26,1280 17.88,1281 47.967,1282 88.127,1283 100.127,1284 116.127,1285 116.127,1286 116.127,1287 29.642,1288 5.817,1289 15.27,1290 15.27,1291 12,1292 11.797,1293 2.807,1294 2,1295 25.877,1296 39,1297 34,1298 0.342,1299 109.9,1300 195.53,1301 259.917,1302 1913,1303 10.3,1304 11.596,1305 0.725,1306 0.545,1307 9.096,1308 8.719,1309 7.571,1310 0.445,1311 0.306,1312 5.073,1313 7.096,1314 5.039,1315 4.111,1316 6.36,1317 5.201,1318 7.388,1319 0.308,1320 0.158,1321 5.43,1322 3.785,1323 5.256,1324 0.188,1325 0.095,1326 4.293,1327 2.656,1328 4.048,1329 0.123,1330 0.055,1331 3.515,1332 1.802,1333 3.328,1334 0.081,1335 0.03,1336 2.782,1337 1.238,1338 0.511,1339 48.754,1340 0.303,1341 15.948,1342 1.01,1343 82,1344 408.311,1345 102.819,1346 312.005,1347 393.42,1348 288,1349 93,1350 261.944,1351 107.695,1352 245.473,1353 377.01,1354 230,1355 6.215} {0 CHEMBL275854,1 1.473,2 5.643,3 1.661,4 2.758,5 56.485,6 6.795,7 0.667,8 3.426,9 3.564,10 2.895,11 2.946,12 4.54,13 2.913,14 3.909,15 4.088,16 3.238,17 3.34,18 4.951,19 3.277,20 4.169,21 4.394,22 3.163,23 3.419,24 5.17,25 3.307,26 4.203,27 4.486,28 3.005,29 3.319,30 5.051,31 3.171,32 3.959,33 4.209,34 2.869,35 3.082,36 4.992,37 2.949,38 3.894,39 4.172,40 2.366,41 2.854,42 4.844,43 2.677,44 3.601,45 3.927,46 2.023,47 2.448,48 4.615,49 2.227,50 3.102,51 3.404,52 0.873,53 1.795,54 4.094,55 1.541,56 0.052,57 0.406,58 6.518,59 2.484,60 9.862,61 3.493,62 0.047,63 0.631,64 10.74,65 4.268,66 11.613,67 6.103,68 0.129,69 0.738,70 14.599,71 5.155,72 23.742,73 7.558,74 0.128,75 0.7,76 15.475,77 5.336,78 19.248,79 8.051,80 0.146,81 0.564,82 11.99,83 4.097,84 19.27,85 6.119,86 0.177,87 0.48,88 11.715,89 3.27,90 27.167,91 5.065,92 0.135,93 0.315,94 8.774,95 2.751,96 26.22,97 4.232,98 0.126,99 0.163,100 5.513,101 1.402,102 21.536,103 2.051,104 12,105 21,106 0.29,107 0.713,108 0.85,109 0.883,110 0.883,111 0.883,112 2.735,113 0.942,114 -2.53,115 -2.55,116 -2.49,119 39.3,120 1,121 1,127 1,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 4,176 7,178 5,180 2,186 6,189 5,191 1,197 2,199 3,201 1,207 2,208 3,210 1,211 2,213 1,220 1,222 1,224 1,230 1,231 2,232 1,233 1,235 1,259 170,260 9.154,261 9.154,262 9.154,263 9.154,264 9.154,265 7.972,266 7.125,267 5.401,268 9.277,269 7.415,270 7.415,271 7.415,272 7.415,273 7.415,274 5.641,275 4.155,276 2.585,277 7.625,278 3.334,279 1.179,280 0.482,281 0.313,282 0.313,283 0.313,284 3.373,288 1,289 1,290 162,291 2.449,294 25.939,295 30.81,298 48.004,302 0.929,303 11.505,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 30,315 79,316 4.55,317 3.182,318 6.549,319 4.08,320 3.094,321 4.502,323 10.372,324 3.049,325 3.655,326 2.581,327 5.244,328 3.318,329 2.345,330 3.07,332 6.481,333 2.28,334 3.39,335 2.303,336 4.955,337 3.07,338 2.116,339 2.689,341 5.776,342 2.01,343 3.014,344 1.849,345 4.514,346 2.717,347 1.741,348 2.086,350 4.59,351 1.695,352 2.676,353 1.27,354 4.029,355 2.193,356 1.221,357 1.749,359 3.263,360 1.185,361 2.148,362 0.826,363 3.239,364 1.673,365 0.719,366 1.005,368 1.681,369 0.684,370 1.129,371 0.146,372 2.477,373 0.814,374 -0.14,375 -0.168,377 -0.337,378 -0.132,379 0.724,380 -0.312,381 2.375,382 0.385,383 -0.568,384 -0.683,386 -1.501,387 -0.536,388 0.515,389 -0.804,390 2,391 0.083,392 -0.903,393 -1,395 -2,396 -0.89,398 -0.884,399 1.86,400 -0.051,401 -1,402 -1.316,404 -2.721,405 -0.949,406 -0.014,407 -1.129,408 1.211,409 -0.37,410 -1.291,411 -1.562,413 -3.153,414 -1.193,415 -0.102,416 -1.439,417 1.079,418 -0.544,419 -1.521,420 -1.998,422 -4.493,423 -1.481,424 -0.422,425 -1.752,426 1,427 -0.891,428 -1.883,429 -2.534,431 -5.221,432 -1.835,433 -0.5,434 -1.897,435 0.825,436 -0.976,437 -1.931,438 -2.841,440 -6.021,441 -1.887,442 -0.764,443 -2,444 0.645,445 -1,446 -2,447 -3,449 -6.715,450 -2,451 6.633,452 0.474,453 0.421,454 0.03,455 17,456 1.214,457 8.5,458 0.607,459 8.5,460 0.607,461 9.432,462 0.674,463 15.567,464 0.556,465 9.722,466 0.694,467 3.318,468 0.237,469 3.347,470 0.239,471 0.186,473 0.377,479 1.158,480 1.063,481 0.959,482 0.919,483 1.181,484 0.904,485 0.684,486 1.2,487 0.844,488 1.087,489 0.568,490 0.997,491 1.028,492 1.104,493 1.107,494 1.111,495 1.047,496 1.114,497 0.721,498 0.953,499 0.85,500 0.94,501 0.635,502 0.914,503 0.641,504 1.207,505 0.991,506 1.246,507 0.733,508 1.179,509 1.65,510 0.969,511 1.38,512 1.025,513 1.57,514 1.14,515 0.721,516 0.829,517 0.805,518 0.897,519 0.773,520 0.876,521 2.706,522 0.618,523 1.551,524 0.758,525 3.031,526 1.001,527 3.5,529 1.556,530 0.979,531 0.728,532 0.441,533 0.164,534 0.056,537 1196,538 3022,539 1.993,540 50,542 4,543 1,545 4,547 5,550 1.511,551 1.826,552 2.583,553 2.242,557 1,559 41.249,560 1.473,561 3.628,562 4.325,563 4.495,564 4.495,565 4.495,566 1.924,567 3.664,568 3.778,569 2.65,570 241.176,571 6.311,572 1861.78,574 1,577 134.606,578 1.531,579 3.714,580 0.233,582 0.074,583 0.054,584 0.049,585 0.037,586 0.027,587 0.014,590 0.488,591 0.67,592 1,593 1.292,594 52.095,595 -0.194,596 0.179,597 -0.02,598 0.174,599 -0.237,600 0.115,601 -0.002,602 -0.066,603 0.069,604 -0.002,605 0.08,606 0.038,607 -0.134,608 -0.066,609 -0.164,610 -0.11,611 -0.134,612 -0.134,613 0.016,614 -0.034,615 0.096,616 0.023,617 0.033,618 0.065,619 0.248,620 -0.232,621 -0.037,622 -0.286,623 0.137,624 -0.217,625 -0.324,626 -0.041,627 -0.372,628 -0.156,629 -0.295,630 -0.252,631 0.274,632 -0.061,633 0.183,634 -0.007,635 0.338,636 0.061,637 -0.569,638 0.095,639 -0.455,640 0.049,641 -0.66,642 -0.166,643 1.372,644 3.362,645 0.643,646 7.041,647 0.994,648 1.132,649 1.298,650 1.684,651 0.644,652 2.773,653 3.091,654 3.296,655 3.584,656 3.738,657 3.689,658 3.664,659 3.497,660 3.045,661 2.639,662 3.651,663 0.604,664 190.27,665 2.773,666 4.29,667 5.118,668 5.999,669 6.858,670 7.743,671 8.614,672 9.499,673 10.376,674 11.262,675 7.1,676 1,683 1,687 2,688 4,690 1,693 2,695 10,711 1,714 28,716 10,717 1,718 15,720 29,721 11,722 8,723 3,724 3,730 2,731 3,736 1,743 2,745 8,746 3,761 1,764 14,765 2,766 4,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 14,828 1,832 1,833 1,837 1,847 3.6,849 1,854 7.667,855 4.95,856 3.056,857 1.585,858 2.094,859 1.367,860 0.951,861 2.375,862 7.801,863 3.045,864 3.695,865 4.312,866 4.968,867 5.455,868 5.715,869 6.015,870 6.258,871 5.735,872 5.42,873 0.75,874 18,875 5.146,876 0.002,877 2.148,878 7.786,879 9.857,880 0.001,881 8.077,882 -0.001,883 2.286,884 32,885 0.006,888 117.711,889 56.739,890 49.683,892 42.683,895 56.739,896 160.394,897 49.683,898 8.825,899 35.432,900 37.476,901 42.683,902 22.544,903 13.915,904 105.94,906 117.711,907 106.421,908 42.683,911 58.856,912 101.539,915 61.042,916 45.379,919 117.711,920 92.366,921 56.739,924 117.711,925 10.437,926 46.301,927 16.786,928 75.581,929 117.711,930 92.366,931 56.739,933 0.582,934 0.313,935 0.179,936 0.105,937 11,938 5,939 0.069,940 2,941 1,942 1.222,943 2.59,944 87.957,945 0.222,946 9,947 53.303,951 9.401,952 3.537,953 1.876,954 2.098,955 75.581,956 7.265,958 3.154,961 1.453,963 92.366,964 266.816,965 20,975 27.833,976 31.697,977 0.306,978 0.755,979 0.9,980 0.935,981 0.935,982 0.935,983 4.256,984 -0.568,985 5.118,986 -0.337,987 3.761,988 4.376,990 5.916,991 3.709,992 5.484,993 -0.903,994 6.668,995 -1.501,996 3.434,997 4.311,999 6.804,1000 3.353,1001 6.8,1002 -1,1003 8.317,1004 -2,1005 5.333,1006 6.679,1008 9.888,1009 5.245,1010 8.156,1011 -1.291,1012 10.022,1013 -2.721,1014 5.771,1015 7.463,1017 11.631,1018 5.662,1019 9.546,1020 -1.521,1021 11.767,1022 -3.153,1023 7.204,1024 9.329,1026 14.245,1027 7.089,1028 10.963,1029 -1.883,1030 13.541,1031 -4.493,1032 8.01,1033 10.513,1035 16.35,1036 7.879,1037 12.4,1038 -1.931,1039 15.337,1040 -5.221,1041 9.255,1042 12.169,1044 18.793,1045 9.117,1046 3.094,1047 -2,1048 17.15,1049 -6.021,1050 10.237,1051 13.536,1053 21.042,1054 10.085,1055 2.345,1056 10.372,1057 18.978,1058 -6.715,1059 11.407,1060 15.103,1062 23.422,1063 11.245,1064 2.116,1065 6.481,1066 20.817,1067 4.502,1068 12.47,1069 16.549,1071 25.726,1072 12.295,1073 1.741,1074 5.776,1075 22.665,1076 3.07,1077 13.612,1078 18.08,1080 28.081,1081 13.425,1082 1.221,1083 4.59,1084 24.52,1085 2.689,1086 14.711,1087 19.56,1089 30.407,1090 14.511,1091 0.719,1092 3.263,1093 26.38,1094 2.086,1095 15.844,1096 21.075,1098 32.752,1099 15.63,1100 -0.14,1101 1.681,1102 28.244,1103 1.749,1104 16.959,1105 22.569,1107 35.086,1108 16.732,1109 1278,1110 2080,1111 9.652,1112 18.034,1113 22.867,1114 22.504,1115 23.46,1116 22.502,1117 22.472,1118 30.203,1120 64.327,1121 21.805,1122 5.313,1123 5.182,1124 5.905,1125 5.08,1126 5.094,1127 7.502,1129 17.087,1130 5.049,1131 7.21,1132 1.524,1133 1.5,1134 1.564,1135 1.5,1136 1.498,1137 2.014,1139 4.288,1140 1.454,1141 4.128,1142 4.16,1143 4.086,1144 4.043,1145 6.471,1146 4.05,1147 3.634,1148 3.706,1149 3.496,1150 3.489,1151 5.023,1152 3.482,1153 3.392,1154 3.446,1155 3.286,1156 3.21,1157 4.9,1158 3.218,1159 2.991,1160 3.063,1161 2.853,1162 2.831,1163 4.128,1164 2.83,1165 2.768,1166 2.91,1167 2.45,1168 2.525,1169 3.831,1170 2.491,1171 2.642,1172 2.776,1173 2.393,1174 2.295,1175 3.685,1176 2.301,1177 2.544,1178 2.594,1179 2.344,1180 2.214,1181 3.273,1182 2.226,1183 2.119,1184 2.223,1185 1.846,1186 1.699,1187 2.962,1188 1.722,1189 0.303,1190 0.212,1191 0.437,1192 0.272,1193 0.206,1194 4.55,1195 0.3,1196 3.182,1198 6.549,1199 0.691,1200 4.08,1201 0.203,1202 3.094,1203 4.502,1205 10.372,1206 3.049,1207 1.934,1208 1.916,1209 2.024,1210 2.02,1211 1.245,1212 2.021,1213 1.695,1214 1.636,1215 1.903,1216 1.886,1217 1.051,1218 1.897,1219 1.388,1220 1.313,1221 1.612,1222 1.629,1223 0.687,1224 1.628,1225 1.037,1226 0.989,1227 1.302,1228 1.278,1229 0.368,1230 1.286,1231 0.788,1232 0.711,1233 1.147,1234 1.143,1235 0.185,1236 1.164,1237 0.722,1238 0.604,1239 1.072,1240 0.99,1241 0.05,1242 1.019,1243 0.524,1244 0.374,1245 0.936,1246 0.899,1248 0.921,1249 0.025,1251 0.571,1252 0.549,1254 0.569,1255 3.434,1257 4.745,1258 2.398,1259 6.236,1260 4.727,1261 7.82,1262 6.823,1263 9.459,1265 1.974,1269 5.736,1270 9.362,1271 0.823,1275 0.136,1280 16.918,1281 41.249,1282 101.586,1283 121.096,1284 125.851,1285 125.851,1286 125.851,1287 18.161,1288 5.707,1289 62.04,1290 62.04,1291 11,1292 11.795,1293 3.459,1294 2.585,1295 21.246,1296 30,1297 27,1298 0.376,1299 107.375,1300 172.57,1301 253.754,1302 1612,1304 10.129,1305 0.724,1306 0.58,1307 10.129,1308 8.118,1309 6.665,1310 0.444,1311 0.314,1312 4.667,1313 6.485,1314 4.516,1315 3.792,1316 6.665,1317 4.711,1318 6.309,1319 0.3,1320 0.177,1321 6.309,1322 3.725,1323 4.598,1324 0.177,1325 0.088,1326 4.598,1327 2.293,1328 3.964,1329 0.113,1330 0.048,1331 3.964,1332 1.682,1333 3.169,1334 0.077,1335 0.027,1336 3.169,1337 1.089,1338 0.548,1339 41.308,1340 0.322,1341 13.913,1342 1.149,1343 72,1344 175.795,1345 76.851,1346 177.012,1347 242.38,1348 164,1349 83,1350 180.636,1351 87.326,1352 186.221,1353 268.69,1354 175,1355 6.824} {0 CHEMBL276868,1 1.252,2 6.4,3 2.712,4 7.355,5 63.186,6 6.131,7 0.375,8 3.548,9 3.695,10 2.955,11 3.101,12 4.487,13 3.031,14 4.107,15 4.329,16 3.312,17 3.502,18 4.963,19 3.409,20 4.325,21 4.554,22 3.219,23 3.637,24 5.181,25 3.479,26 4.446,27 4.749,28 3.067,29 3.567,30 5.184,31 3.367,32 4.263,33 4.562,34 2.713,35 3.362,36 4.951,37 3.129,38 3.987,39 4.33,40 2.34,41 2.98,42 4.495,43 2.725,44 3.409,45 3.672,46 2.419,47 2.583,48 4.229,49 2.467,50 3.504,51 3.773,52 2.236,53 2.635,54 4.376,55 2.521,56 0.042,57 0.472,58 7.988,59 3.17,60 6.306,61 4.694,62 0.117,63 0.762,64 13.947,65 5.258,66 12.278,67 7.86,68 0.103,69 0.901,70 17.124,71 6.723,72 18.299,73 9.991,74 0.119,75 0.902,76 18.847,77 7.217,78 21.111,79 10.839,80 0.097,81 0.739,82 15.61,83 6.084,84 15.785,85 9.077,86 0.065,87 0.513,88 11.523,89 4.588,90 8.91,91 6.816,92 0.047,93 0.347,94 6.783,95 2.133,96 7.507,97 3.469,98 0.127,99 0.394,100 7.934,101 1.5,102 11.299,103 2.979,104 11,105 23,106 0.238,107 0.564,108 0.677,109 0.7,110 0.7,111 0.7,112 2.794,113 1.025,114 -4.34,115 -4.27,116 -4.03,119 39.4,120 3,123 1,125 2,140 4,141 2,156 1,169 10,172 1,174 1,176 1,178 14,182 2,186 2,189 11,193 2,197 2,199 7,203 1,208 1,211 3,215 1,220 1,226 3,231 3,259 173,260 9.679,261 9.679,262 9.679,263 9.679,264 9.679,265 8.772,266 12.689,267 5.628,268 9.807,269 7.895,270 7.895,271 7.895,272 7.895,273 7.895,274 6.502,275 14.124,276 2.652,277 8.102,278 3.793,279 2.087,280 1.493,281 1.372,282 1.372,283 1.372,284 3.433,288 1,289 1,290 199,291 2.739,294 42.17,295 47.225,302 1.307,303 7.117,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 31,315 96,316 4.452,317 3.539,318 7.111,319 4.315,320 3.315,321 3.907,322 0.899,323 11.659,324 3.315,325 4.161,326 3.134,327 6.138,328 3.802,329 2.837,330 3.483,331 0.267,332 9.034,333 2.741,334 3.362,335 2.151,336 4.743,337 2.967,338 2,339 2.566,341 5.268,342 1.93,343 2.812,344 1.591,345 4.367,346 2.51,347 1.527,348 1.883,350 4.143,351 1.499,352 2.5,353 1.146,354 3.414,355 2,356 1,357 1.5,359 2.275,360 1,361 2.1,362 1.008,363 3.289,364 1.804,365 0.84,366 0.987,368 2.016,369 0.808,370 1.718,371 1,372 3,373 1.518,374 0.618,375 0.658,377 1.372,378 0.556,379 0.892,380 -0.328,381 2.742,382 0.523,383 -0.469,384 -0.59,386 -1.146,387 -0.465,388 0.5,389 -1,390 2.124,392 -1,393 -1,395 -3,396 -1,398 -1,399 2,401 -1,402 -1,404 -3,405 -1,407 -1,408 2,410 -1,411 -1.433,413 -3,414 -1,415 -0.205,416 -1.045,417 2,418 -0.364,419 -1.341,420 -1.5,422 -3.055,423 -1.306,424 -0.321,425 -1.166,426 1.081,427 -0.718,428 -1.618,429 -1.807,431 -4.372,432 -1.456,433 -0.5,434 -1.44,435 1,436 -0.752,437 -1.738,438 -2.143,440 -5.275,441 -1.706,442 -0.613,443 -1.812,444 0.586,445 -1,446 -1.971,447 -2.511,448 -0.267,449 -6.021,450 -1.916,451 7.3,452 0.487,453 0.515,454 0.034,455 16.5,456 1.1,457 7.5,458 0.5,459 9,460 0.6,461 12.322,462 0.821,463 16.7,464 0.506,465 9.03,466 0.602,467 2.998,468 0.2,469 4.073,470 0.272,471 0.205,472 0.068,473 0.205,479 1.016,480 1.335,481 1.009,482 1.161,483 1.213,484 1.097,485 1.012,486 0.937,487 0.872,488 0.872,489 0.799,490 0.863,491 1.065,492 1.265,493 1.253,494 1.3,495 1.14,496 1.292,497 0.788,498 0.948,499 0.91,500 0.955,501 0.935,502 0.943,503 0.833,504 1.045,505 1.092,506 1.127,507 1.182,508 1.128,509 0.367,510 0.826,511 0.717,512 0.845,513 0.55,514 0.813,515 1.115,516 1.56,517 0.876,518 1.144,519 0.55,520 1.019,521 4.729,522 0.579,523 1.92,524 0.67,525 3.343,526 1.017,527 4,529 2.222,530 0.778,531 0.432,532 0.473,533 0.269,534 0.147,535 0.094,537 1579,538 2849,539 1.977,540 54.5,541 9,542 8,545 1,550 1.526,551 1.818,552 2.705,553 -0.33,557 1,559 41.301,560 1.252,561 2.958,562 3.551,563 3.672,564 3.672,565 3.672,566 2.232,567 3.057,568 3.88,569 2.856,570 299.863,571 6.481,572 2456.31,574 1,577 166.465,578 1.673,579 3.804,580 0.25,582 0.097,583 0.041,584 0.027,585 0.047,586 0.038,587 0.018,588 0.016,590 0.534,591 0.83,592 1,593 0.985,594 58.559,595 0.018,596 -0.094,597 0.044,598 -0.015,599 -0.192,600 0.012,601 0.156,602 0.189,603 0.157,604 0.173,605 0.236,606 0.166,607 -0.156,608 -0.192,609 -0.264,610 -0.254,611 -0.127,612 -0.264,613 0.022,614 -0.027,615 0.038,616 0.011,617 0.03,618 0.023,619 -0.074,620 -0.127,621 -0.153,622 -0.158,623 -0.263,624 -0.161,625 0.178,626 -0.019,627 0.187,628 0.092,629 0.109,630 0.132,631 0.279,632 -0.535,633 0.142,634 -0.206,635 0.554,636 -0.07,637 -1.341,638 0.71,639 -0.743,640 0.071,641 -1.149,642 -0.23,643 1.024,644 1.403,645 0.733,646 9.102,647 0.978,648 1.131,649 3.106,650 9.65,651 0.639,652 2.833,653 3.178,654 3.332,655 3.466,656 3.497,657 3.611,658 3.664,659 3.367,660 3.219,661 2.833,662 4.155,663 0.584,664 202.33,665 2.833,666 4.369,667 5.187,668 6.061,669 6.899,670 7.772,671 8.616,672 9.488,673 10.334,674 11.205,675 6.1,677 1,684 1,688 4,693 2,695 6,714 33,716 7,717 1,718 16,720 34,721 13,722 6,723 2,724 4,725 1,730 2,731 2,736 3,737 1,745 7,746 6,750 1,758 1,759 1,761 1,764 18,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 3,827 15,833 2,834 1,839 1,854 8.25,855 6.783,856 3.194,857 2.018,858 1.44,859 1.254,860 0.932,861 2.618,862 7.099,863 3.045,864 3.597,865 4.082,866 4.531,867 4.939,868 5.167,869 5.469,870 5.183,871 5.062,872 4.676,873 1,874 19,875 5.544,876 -0.001,877 2.247,878 7.417,879 11.011,881 8.973,883 1.917,884 28.75,885 0.009,888 200.109,889 77.291,890 34.796,895 77.291,896 200.109,897 34.796,898 26.476,899 4.211,900 55.916,901 2.328,902 23.157,904 200.109,906 200.109,907 112.087,911 200.109,915 65.483,916 46.604,919 200.109,920 34.796,921 77.291,924 200.109,925 12.91,926 64.381,927 18.011,928 16.786,929 200.109,930 34.796,931 77.291,933 0.597,934 0.323,935 0.15,936 0.065,937 12,938 5,939 0.059,940 2,942 1,943 2.709,944 95.38,946 11,947 49.848,951 10.377,952 3.784,953 2.267,955 34.796,956 8.686,961 2.561,963 18.011,964 312.196,965 20,973 4.403,974 1.037,975 32.272,976 37.318,977 0.248,978 0.586,979 0.704,980 0.728,981 0.728,982 0.728,983 4.297,984 -0.469,985 5.242,986 1.372,987 3.85,988 4.277,989 1.015,990 6.094,991 3.808,992 5.526,993 -1,994 6.847,995 -1.146,996 3.761,997 4.159,999 7.424,1000 3.734,1001 6.859,1002 -1,1003 8.577,1004 -3,1005 5.572,1006 6.409,1007 0.841,1008 10.351,1009 5.51,1010 8.231,1011 -1,1012 10.382,1013 -3,1014 6.275,1015 7.043,1017 12.432,1018 6.227,1019 9.633,1020 -1.341,1021 12.233,1022 -3,1023 7.652,1024 8.828,1025 0.722,1026 15,1027 7.587,1028 11.056,1029 -1.618,1030 14.112,1031 -3.055,1032 8.648,1033 9.789,1035 17.316,1036 8.592,1037 12.492,1038 -1.738,1039 16.011,1040 -4.372,1041 9.889,1042 11.371,1043 0.618,1044 19.792,1045 9.827,1046 3.315,1047 -1.971,1048 17.923,1049 -5.275,1050 10.996,1051 12.498,1053 22.19,1054 10.941,1055 2.837,1056 11.659,1057 19.845,1058 -6.021,1059 12.194,1060 13.978,1061 0.526,1062 24.642,1063 12.138,1064 2,1065 9.034,1066 21.773,1067 3.907,1068 13.346,1069 15.197,1071 27.072,1072 13.295,1073 1.527,1074 5.268,1075 23.707,1076 3.483,1077 14.532,1078 16.621,1079 0.445,1080 29.521,1081 14.483,1082 1,1083 4.143,1084 25.646,1085 2.566,1086 15.704,1087 17.892,1089 31.963,1090 15.658,1091 0.84,1092 2.275,1093 27.587,1094 1.883,1095 16.889,1096 19.286,1097 0.373,1098 34.413,1099 16.846,1100 0.618,1101 2.016,1102 29.532,1103 1.5,1104 18.07,1105 20.59,1107 36.862,1108 18.031,1109 1642,1110 2278,1111 10.227,1112 21.103,1113 24.708,1114 24.708,1115 23.877,1116 24.184,1117 24.274,1118 29.968,1119 2.332,1120 71.534,1121 23.698,1122 5.308,1123 5.539,1124 6.708,1125 5.32,1126 5.315,1127 6.907,1128 1.799,1129 18.557,1130 5.315,1131 7.45,1132 1.544,1133 1.544,1134 1.492,1135 1.512,1136 1.517,1137 1.873,1138 0.146,1139 4.471,1140 1.481,1141 3.997,1142 4.033,1143 3.935,1144 3.93,1145 4.853,1146 3.926,1147 3.741,1148 3.81,1149 3.639,1150 3.574,1151 4.572,1152 3.58,1153 3.513,1154 3.58,1155 3.357,1156 3.373,1157 4.196,1158 3.362,1159 2.874,1160 3.009,1161 2.687,1162 2.735,1163 3.674,1164 2.715,1165 2.874,1166 3.009,1167 2.669,1168 2.699,1169 3.535,1170 2.684,1171 2.854,1172 2.925,1173 2.499,1174 2.618,1175 3.467,1176 2.57,1177 2.811,1178 2.875,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.551,1184 2.698,1185 2.3,1186 2.187,1187 3.381,1188 2.189,1189 0.278,1190 0.221,1191 0.444,1192 0.27,1193 0.207,1194 4.452,1195 0.244,1196 3.539,1197 0.056,1198 7.111,1199 0.729,1200 4.315,1201 0.207,1202 3.315,1203 3.907,1204 0.899,1205 11.659,1206 3.315,1207 1.963,1208 1.936,1209 2.09,1210 2.042,1211 1.287,1212 2.059,1213 1.623,1214 1.568,1215 1.842,1216 1.778,1217 1.004,1218 1.802,1219 1.444,1220 1.36,1221 1.73,1222 1.681,1223 0.964,1224 1.704,1225 1.173,1226 1.1,1227 1.417,1228 1.437,1229 0.469,1230 1.419,1231 0.934,1232 0.821,1233 1.417,1234 1.239,1235 0.469,1236 1.308,1237 0.934,1238 0.804,1239 1.34,1240 1.239,1241 0.397,1242 1.308,1243 0.886,1244 0.804,1245 1.181,1246 1.062,1247 0.218,1248 1.107,1249 0.565,1250 0.487,1251 0.885,1252 0.77,1253 0.052,1254 0.812,1255 3.497,1257 4.828,1258 2.398,1259 6.34,1260 4.443,1261 7.928,1262 6.293,1263 9.553,1265 6.689,1271 1.868,1272 3.281,1277 0.226,1280 19.257,1281 41.301,1282 97.604,1283 117.181,1284 121.181,1285 121.181,1286 121.181,1287 17.223,1288 5.659,1289 24.39,1290 24.39,1291 11,1292 11.753,1293 3,1294 2.322,1295 23.726,1296 39,1297 25,1298 0.332,1299 122.563,1300 209.28,1301 290.814,1302 1509,1304 10.889,1305 0.726,1306 0.645,1307 10.889,1308 9.671,1309 7.071,1310 0.442,1311 0.342,1312 5.427,1313 6.935,1314 5.124,1315 4.35,1316 7.071,1317 5.465,1318 7.022,1319 0.305,1320 0.217,1321 7.022,1322 4.984,1323 5.063,1324 0.188,1325 0.1,1326 5.063,1327 2.699,1328 3.885,1329 0.125,1330 0.055,1331 3.885,1332 1.719,1333 2.456,1334 0.077,1335 0.029,1336 2.456,1337 0.938,1338 0.503,1339 43.337,1340 0.313,1341 15.167,1342 0.953,1343 78,1344 157.978,1345 81.497,1346 161.235,1347 227.39,1348 152,1349 89,1350 171.803,1351 92.691,1352 180.147,1353 259.28,1354 168,1355 6.979} {0 CHEMBL277120,1 1.272,2 6.25,3 2.322,4 5.392,5 67.692,6 6.635,7 0.611,8 3.556,9 3.692,10 3.054,11 3.139,12 4.497,13 3.088,14 4.108,15 4.304,16 3.361,17 3.537,18 4.968,19 3.458,20 4.381,21 4.633,22 3.383,23 3.681,24 5.141,25 3.555,26 4.329,27 4.577,28 3.233,29 3.621,30 5.066,31 3.466,32 4.285,33 4.546,34 3.096,35 3.542,36 5.01,37 3.369,38 4.211,39 4.49,40 2.784,41 3.369,42 4.898,43 3.152,44 3.998,45 4.333,46 2.211,47 2.943,48 4.602,49 2.666,50 3.397,51 3.786,52 1.207,53 2.125,54 3.882,55 1.788,56 0.04,57 0.467,58 7.41,59 2.954,60 5.195,61 4.264,62 0.107,63 0.787,64 13.463,65 4.792,66 10.144,67 7.12,68 0.162,69 0.966,70 18.023,71 6.718,72 13.962,73 9.891,74 0.094,75 0.888,76 16.851,77 6.896,78 12.3,79 9.996,80 0.091,81 0.835,82 16.186,83 6.646,84 12.734,85 9.637,86 0.083,87 0.752,88 15.115,89 6.159,90 12.54,91 8.976,92 0.08,93 0.571,94 12.505,95 4.746,96 11.721,97 7.082,98 0.059,99 0.29,100 6.973,101 2.382,102 6.965,103 3.668,105 24,106 0.24,107 0.511,108 0.606,109 0.745,110 0.801,111 0.825,112 2.855,113 0.981,114 -3.7,115 -3.67,116 -3.49,119 43.8,125 4,140 7,141 2,142 1,169 9,172 2,178 11,182 3,184 1,189 9,193 3,199 5,203 1,208 2,211 2,220 3,231 3,242 1,259 248,260 11.328,261 11.328,262 11.328,263 11.328,264 11.328,265 10.066,266 11.915,267 6.971,268 11.511,269 8.926,270 8.926,271 8.926,272 8.926,273 8.926,274 7.074,275 18.321,276 3.308,277 9.212,278 3.728,279 2.291,280 1.786,281 1.047,282 0.75,283 0.625,284 3.54,288 1,289 1,290 220,291 1.414,295 103.892,299 55.078,302 0.906,303 5.085,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 33,315 100,316 4.532,317 3.259,318 6.689,319 4.099,320 3.122,321 4.447,322 0.8,323 10.827,324 3.056,325 3.736,326 2.665,327 5.756,328 3.453,329 2.499,330 3.065,331 0.4,332 7.77,333 2.376,334 3.118,335 1.982,336 4.676,337 2.78,338 1.814,339 2.427,341 4.794,342 1.75,343 3.056,344 1.618,345 4.077,346 2.618,347 1.618,348 2.153,350 3.704,351 1.618,352 2.763,353 1.518,354 3.608,355 2.289,356 1.315,357 1.889,359 2.928,360 1.283,361 2.451,362 1.258,363 3.519,364 2.19,365 1.226,366 1.442,368 2.716,369 1.175,370 2.075,371 1.146,372 3.247,373 1.967,374 1,375 1,377 2.136,378 0.965,379 2,380 0.772,381 3.211,382 1.69,383 0.709,384 0.956,386 1.691,387 0.695,388 1.04,389 -0.232,390 2.466,391 0.643,392 -0.334,393 -0.419,395 -0.809,396 -0.325,397 0.882,398 -0.6,399 2.237,400 0.382,401 -0.618,402 -0.927,404 -1.478,405 -0.618,406 0.515,407 -0.618,408 2,409 0.179,410 -0.803,411 -0.968,413 -1.834,414 -0.788,415 0.195,416 -0.744,417 1.754,418 -0.092,419 -1,420 -1,422 -2.347,423 -0.9,425 -1.042,426 1.555,427 -0.1,428 -1.083,429 -1.478,431 -2.567,432 -1.071,433 -0.111,434 -1.52,435 1.179,436 -0.588,437 -1.581,438 -2,440 -4.479,441 -1.563,442 -0.5,443 -1.715,444 1.024,445 -0.943,446 -1.885,447 -2.107,449 -4.789,450 -1.786,451 7.8,452 0.488,453 0.223,454 0.014,455 20.75,456 1.297,457 10.5,458 0.656,459 10.25,460 0.641,461 10.308,462 0.644,463 16.8,464 0.525,465 11.59,466 0.724,467 4.148,468 0.259,469 3.801,470 0.238,473 0.244,479 1.101,480 1.282,481 0.896,482 1.036,483 0.947,484 0.966,485 1.697,486 1.078,487 1.085,488 0.948,489 1.161,490 0.967,491 1.246,492 0.826,493 0.992,494 0.857,495 0.89,496 0.897,497 0.8,498 1.06,499 1.022,500 1.088,501 0.825,502 1.074,503 0.768,504 1.033,505 1.037,506 1.094,507 1.033,508 1.087,509 0.727,510 1.153,511 1.127,512 1.226,513 1.163,514 1.21,515 0.764,516 1.017,517 0.965,518 1.033,519 1.034,520 1.017,521 1.061,522 0.645,523 0.785,524 0.658,525 1.053,526 0.693,527 1.5,529 1.556,530 0.875,531 0.547,532 0.174,533 0.118,534 0.049,537 1974,538 3841,539 2.213,540 50,542 15,545 1,550 1.556,551 2.182,552 2.71,553 -0.352,555 1,556 1,557 1,559 40.697,560 1.272,561 2.709,562 3.214,563 3.953,564 4.25,565 4.375,566 2.127,567 3.625,568 3.977,569 2.734,570 328.101,571 6.715,572 2766.49,574 1,576 1,577 160,578 0.811,579 3.975,580 0.083,582 0.065,583 0.036,584 0.027,585 0.01,586 0.011,587 0.01,590 0.243,591 1,592 1,594 62.804,595 0.037,596 -0.127,597 0.073,598 -0.015,599 0.047,600 0.023,601 -0.232,602 0.054,603 -0.091,604 0.009,605 -0.14,606 -0.023,607 -0.044,608 0.202,609 -0.008,610 0.1,611 0.037,612 0.058,613 -0.027,614 -0.098,615 -0.071,616 -0.093,617 0.015,618 -0.087,619 -0.037,620 -0.092,621 -0.089,622 -0.102,623 -0.119,624 -0.099,625 -0.023,626 -0.247,627 -0.181,628 -0.247,629 -0.182,630 -0.23,631 0.072,632 -0.171,633 0.003,634 -0.095,635 0.032,636 -0.059,637 0.035,638 0.164,639 0.215,640 0.23,641 0.103,642 0.235,643 0.413,644 0.891,645 1,646 7.5,647 0.981,648 1.122,649 2.472,650 6.111,651 0.667,652 2.944,653 3.219,654 3.526,655 3.807,656 4.043,657 3.951,658 4.043,659 4.06,660 4.025,661 3.738,662 3.851,663 0.617,664 212.32,665 2.944,666 4.443,667 5.293,668 6.159,669 7.029,670 7.904,671 8.78,672 9.659,673 10.537,674 11.417,675 6.3,677 1,681 1,687 2,688 7,693 1,695 11,709 1,714 32,716 11,717 2,718 18,720 34,721 14,722 10,723 3,724 7,730 3,731 4,745 10,746 4,761 1,764 16,765 2,766 1,767 2,773 2,777 0.667,793 3,797 1,814 1,819 2,827 16,833 4,834 1,838 1,854 7.333,855 5.533,856 3.583,857 2.014,858 2.364,859 1.375,860 1.031,861 2.604,862 8.674,863 3.199,864 3.773,865 4.413,866 5.033,867 5.61,868 5.808,869 6.18,870 6.491,871 6.776,872 6.363,873 1,874 24,875 5.92,877 2.471,878 7.344,879 11.879,881 9.959,883 1.844,884 29.5,885 0.008,888 176.567,889 82.659,890 21.135,895 82.659,896 176.567,897 21.135,899 8.423,900 84.344,902 11.027,904 176.567,906 176.567,907 103.794,911 176.567,915 26.434,916 77.361,919 176.567,920 21.135,921 82.659,924 176.567,925 16.325,926 69.458,927 18.011,929 176.567,930 21.135,931 82.659,933 0.562,934 0.339,935 0.201,936 0.112,937 13,938 4,939 0.029,940 1,941 1,942 1.125,943 2.915,944 112.682,945 0.125,946 16,947 58,951 9.822,952 4.242,953 1.852,954 2.699,955 21.135,956 15.181,961 1.375,963 18.011,964 280.361,965 23.5,975 31.389,976 35.903,977 0.254,978 0.542,979 0.643,980 0.791,981 0.85,982 0.875,983 4.391,984 0.709,985 5.231,986 2.136,987 3.892,988 4.454,989 0.824,990 6.023,991 3.835,992 5.553,993 -0.334,994 6.763,995 1.691,996 3.219,997 4.111,998 0.325,999 6.917,1000 3.126,1001 6.837,1002 -0.618,1003 8.41,1004 -0.809,1005 5.434,1006 6.682,1007 0.413,1008 10.079,1009 5.322,1010 8.167,1011 -0.803,1012 10.132,1013 -1.478,1014 5.707,1015 7.32,1016 0.268,1017 11.896,1018 5.564,1019 9.542,1020 -1,1021 11.904,1022 -1.834,1023 7.306,1024 9.285,1025 0.246,1026 14.539,1027 7.146,1028 10.948,1029 -1.083,1030 13.709,1031 -2.347,1032 8.042,1033 10.387,1034 0.188,1035 16.696,1036 7.858,1037 12.379,1038 -1.581,1039 15.537,1040 -2.567,1041 9.367,1042 12.088,1043 0.157,1044 19.17,1045 9.165,1046 3.122,1047 -1.885,1048 17.382,1049 -4.479,1050 10.321,1051 13.405,1052 0.125,1053 21.459,1054 10.1,1055 2.499,1056 10.827,1057 19.238,1058 -4.789,1059 11.53,1060 14.99,1061 0.102,1062 23.874,1063 11.29,1064 1.814,1065 7.77,1066 21.102,1067 4.447,1068 12.584,1069 16.404,1070 0.082,1071 26.216,1072 12.325,1073 1.618,1074 4.794,1075 22.973,1076 3.065,1077 13.746,1078 17.937,1079 0.067,1080 28.61,1081 13.469,1082 1.315,1083 3.704,1084 24.848,1085 2.427,1086 14.844,1087 19.394,1088 0.054,1089 30.975,1090 14.548,1091 1.226,1092 2.928,1093 26.728,1094 2.153,1095 15.988,1096 20.904,1097 0.043,1098 33.361,1099 15.674,1100 1,1101 2.716,1102 28.611,1103 1.889,1104 17.107,1105 22.381,1106 0.035,1107 35.735,1108 16.773,1109 1905,1110 2709,1111 12.712,1112 21.341,1113 26.574,1114 26.658,1115 26.896,1116 26.616,1117 26.607,1118 34.757,1119 2.4,1120 73.131,1121 25.834,1122 5.532,1123 5.259,1124 6.491,1125 5.166,1126 5.122,1127 7.447,1128 1.2,1129 17.973,1130 5.056,1132 1.476,1133 1.481,1134 1.494,1135 1.479,1136 1.478,1137 1.931,1138 0.133,1139 4.063,1140 1.435,1141 4.095,1142 4.122,1143 4.049,1144 4.047,1145 4.902,1146 4.044,1147 3.759,1148 3.835,1149 3.634,1150 3.567,1151 4.419,1152 3.574,1153 3.447,1154 3.495,1155 3.338,1156 3.36,1157 4.292,1158 3.348,1159 3.111,1160 3.206,1161 2.974,1162 2.957,1163 3.867,1164 2.952,1165 3.081,1166 3.151,1167 2.866,1168 2.941,1169 3.537,1170 2.91,1171 2.805,1172 2.906,1173 2.624,1174 2.58,1175 3.474,1176 2.569,1177 2.662,1178 2.72,1179 2.534,1180 2.529,1181 3.406,1182 2.532,1183 2.416,1184 2.513,1185 2.19,1186 2.23,1187 3.094,1188 2.208,1189 0.252,1190 0.181,1191 0.372,1192 0.228,1193 0.173,1194 4.532,1195 0.247,1196 3.259,1197 0.044,1198 6.689,1199 0.601,1200 4.099,1201 0.17,1202 3.122,1203 4.447,1204 0.8,1205 10.827,1206 3.056,1207 2.076,1208 2.056,1209 2.16,1210 2.146,1211 1.336,1212 2.152,1213 1.719,1214 1.646,1215 1.939,1216 1.939,1217 1.189,1218 1.947,1219 1.463,1220 1.418,1221 1.652,1222 1.583,1223 0.825,1224 1.609,1225 1.153,1226 1.064,1227 1.513,1228 1.376,1229 0.694,1230 1.429,1231 1.068,1232 1.016,1233 1.28,1234 1.265,1235 0.411,1236 1.273,1237 0.774,1238 0.669,1239 1.127,1240 1.058,1241 0.255,1242 1.091,1243 0.686,1244 0.629,1245 0.948,1246 0.838,1247 0.061,1248 0.878,1249 0.45,1250 0.355,1251 0.828,1252 0.689,1254 0.742,1255 3.611,1257 4.89,1259 6.409,1261 8.032,1263 9.706,1271 4.383,1272 3.391,1276 2.471,1280 19.73,1281 40.697,1282 86.697,1283 102.839,1284 126.49,1285 136,1286 140,1287 13.771,1288 6.31,1289 15.27,1290 15.27,1291 18,1292 11.953,1293 3.585,1294 2.7,1295 21.645,1296 36,1297 34,1298 0.304,1299 121.835,1300 200.68,1301 289.037,1302 3880,1304 10.795,1305 0.675,1306 0.582,1307 10.795,1308 9.317,1309 7.949,1310 0.442,1311 0.327,1312 5.832,1313 7.773,1314 5.717,1315 4.723,1316 7.949,1317 5.885,1318 6.701,1319 0.279,1320 0.176,1321 6.701,1322 4.235,1323 5.886,1324 0.178,1325 0.098,1326 5.886,1327 3.224,1328 5.136,1329 0.117,1330 0.054,1331 5.136,1332 2.39,1333 4.353,1334 0.078,1335 0.031,1336 4.353,1337 1.717,1338 0.445,1339 48.772,1340 0.28,1341 15.803,1342 0.93,1343 84,1344 173.978,1345 87.802,1346 175.696,1347 252.79,1348 168,1349 99,1350 192.944,1351 103.385,1352 198.34,1353 291.77,1354 189,1355 8.208} {0 CHEMBL277452,1 1.439,2 19.952,3 4.405,4 19.408,5 169.275,6 6.888,7 0.426,8 4.49,9 4.629,10 3.985,11 4.047,12 5.519,13 4.008,14 5.052,15 5.232,16 4.355,17 4.494,18 6.06,19 4.419,20 5.376,21 5.611,22 4.405,23 4.654,24 6.283,25 4.54,26 5.437,27 5.687,28 4.332,29 4.659,30 6.31,31 4.521,32 5.452,33 5.73,34 4.251,35 4.614,36 6.227,37 4.455,38 5.394,39 5.666,40 4.222,41 4.542,42 6.237,43 4.386,44 5.343,45 5.622,46 4.066,47 4.442,48 6.167,49 4.275,50 5.273,51 5.561,52 3.953,53 4.314,54 6.106,55 4.153,56 0.104,57 1.23,58 18.544,59 7.467,60 15.331,61 10.515,62 0.27,63 2.016,64 33.626,65 13.571,66 45.306,67 19.315,68 0.365,69 2.557,70 48.701,71 18.257,72 60.054,73 26.473,74 0.411,75 2.654,76 52.327,77 19.316,78 64.907,79 28.22,80 0.41,81 2.595,82 53.875,83 20.114,84 54.641,85 29.614,86 0.481,87 2.46,88 50.796,89 18.682,90 61.287,91 27.613,92 0.453,93 2.305,94 48.819,95 17.155,96 64.924,97 25.458,98 0.475,99 2.105,100 46.261,101 14.933,102 68.22,103 22.576,104 21,105 66,106 0.216,107 0.554,108 0.714,109 0.761,110 0.761,111 0.761,112 3.764,113 0.966,114 -3.8,115 -3.76,116 -3.57,119 41.5,121 8,125 2,127 2,134 2,135 2,140 6,141 6,149 2,150 2,156 2,161 2,162 2,163 2,169 21,172 2,173 2,174 2,176 14,178 24,180 2,182 4,186 16,189 22,191 4,193 4,197 12,199 18,201 4,203 2,207 1,208 8,211 22,213 2,215 2,218 2,219 2,220 4,221 2,222 18,224 2,226 4,230 2,231 10,233 8,235 4,237 4,242 12,244 4,246 4,254 6,256 8,259 3864,260 28.723,261 28.723,262 28.723,263 28.723,264 28.723,265 25.732,266 26.788,267 16.892,268 28.923,269 23.203,270 23.203,271 23.203,272 23.203,273 23.203,274 18.559,275 31.703,276 8.025,277 23.522,278 4.919,279 2.669,280 1.604,281 1.293,282 1.293,283 1.293,284 4.479,290 1866,291 4.243,294 234.436,295 591.703,298 430.874,302 3.102,303 34.382,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.33,313 0.4,314 89,315 838,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.618,326 3.509,327 6.724,328 4.172,329 3.181,330 4.552,331 0.98,332 10.962,333 3.154,334 4.056,335 3.201,336 5.943,337 3.72,338 2.715,339 3.498,340 0.4,341 8.308,342 2.724,343 4.056,344 3.201,345 5.943,346 3.719,347 2.715,348 3.498,349 0.4,350 8.308,351 2.724,352 3.822,353 2.78,354 5.687,355 3.518,356 2.533,357 3.182,359 7.524,360 2.489,361 3.822,362 2.775,363 5.687,364 3.513,365 2.528,366 3.182,368 7.524,369 2.486,370 3.416,371 2.441,372 5.309,373 3.216,374 2.239,375 2.51,377 6.789,378 2.183,379 3.403,380 2.426,381 5.307,382 3.203,383 2.226,384 2.502,386 6.784,387 2.17,388 3.017,389 1.915,390 4.587,391 2.722,392 1.736,393 2.167,395 4.465,396 1.71,397 3.003,398 1.904,399 4.586,400 2.525,401 1.54,402 2.152,404 4.457,405 1.516,406 2.888,407 1.803,408 4.049,409 2.485,410 1.495,411 1.972,413 3.536,414 1.479,415 2.885,416 1.647,417 4.045,418 2.36,419 1.364,420 1.966,422 3.361,423 1.347,424 2.701,425 1.573,426 3.785,427 2.356,428 1.357,429 1.705,431 3.305,432 1.344,433 2.567,434 1.397,435 3.749,436 2.11,437 1.132,438 1.55,440 2.716,441 1.102,442 2.553,443 1.342,444 3.737,445 2.046,446 1.056,447 1.528,449 2.683,450 1.041,451 20.067,452 0.478,453 0.972,454 0.023,455 48.5,456 1.155,457 22,458 0.524,459 26.5,460 0.631,461 44.351,462 1.056,463 45.333,464 0.553,465 37.954,466 0.904,467 9.136,468 0.218,469 11.322,470 0.27,471 0.073,473 0.349,479 0.899,480 1.121,481 0.898,482 0.962,483 0.712,484 0.922,485 0.651,486 1.151,487 0.938,488 1.089,489 0.421,490 1.049,491 0.897,492 1.052,493 0.979,494 1.025,495 0.703,496 1.012,497 0.904,498 1.066,499 1.065,500 1.088,501 0.789,502 1.092,503 0.659,504 0.969,505 0.914,506 1.005,507 0.587,508 0.991,509 0.582,510 1.034,511 0.924,512 1.07,513 0.506,514 1.041,515 0.884,516 1.045,517 1.034,518 1.075,519 0.832,520 1.072,521 1.188,522 0.993,523 1.047,524 0.96,525 1.139,526 0.98,527 7.5,528 0.139,529 5.111,530 2.139,531 1.921,532 1.41,533 0.999,534 0.484,535 0.342,536 0.294,537 41509,538 96953,539 2.143,540 48.8,541 4,542 14,543 2,545 8,547 12,550 1.799,551 2.032,552 4.224,553 4.466,559 117.959,560 1.439,561 3.689,562 4.754,563 5.065,564 5.065,565 5.065,566 3.594,567 4.107,568 5.369,569 4.476,570 3853.83,571 9.416,572 80079.6,577 521.319,578 1.313,579 5.336,580 0.16,581 0.004,582 0.077,583 0.032,584 0.032,585 0.026,586 0.019,587 0.011,588 0.009,589 0.009,590 0.379,591 0.17,592 0.5,593 0.661,594 251.501,595 -0.109,596 0.114,597 0.027,598 0.119,599 -0.068,600 0.098,601 0.08,602 -0.02,603 -0.007,604 -0.021,605 0.166,606 -0.023,607 -0.061,608 -0.027,609 -0.016,610 -0.005,611 0.037,612 -0.004,613 -0.081,614 -0.063,615 -0.098,616 -0.081,617 -0.035,618 -0.089,619 0.037,620 -0.024,621 0.051,622 -0.002,623 0.024,624 0.022,625 0.165,626 -0.076,627 0.046,628 -0.075,629 0.135,630 -0.036,631 0.002,632 -0.093,633 -0.047,634 -0.1,635 -0.013,636 -0.084,637 -0.103,638 -0.047,639 -0.033,640 -0.02,641 -0.102,642 -0.017,643 2.06,644 4.628,645 0.714,646 63.714,647 0.991,648 1.128,649 2.569,650 6.598,651 0.657,652 3.871,653 4.205,654 4.5,655 4.762,656 5.011,657 5.153,658 5.288,659 5.371,660 5.425,661 5.485,662 11.86,663 0.616,664 564.8,665 3.871,666 5.425,667 6.286,668 7.166,669 8.046,670 8.933,671 9.821,672 10.714,673 11.606,674 12.502,675 7.3,677 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,701 2,714 82,716 24,717 2,718 47,720 87,721 34,722 16,723 6,724 6,725 6,730 6,731 8,740 8,743 10,745 22,746 12,750 4,755 2,757 2,759 4,764 40,765 6,766 8,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,810 2,811 2,814 2,819 4,827 42,828 2,833 10,834 2,837 2,847 2.4,850 2,854 20.667,855 14,856 9.139,857 5.181,858 4.848,859 1.52,860 1.028,861 8.727,862 14.172,863 4.127,864 4.732,865 5.353,866 5.967,867 6.51,868 6.947,869 7.356,870 7.68,871 7.802,872 8.034,873 0.923,874 67,875 15.587,877 6.752,878 7.635,879 30.549,881 26.317,883 2.135,884 89.667,888 376.675,889 156.349,890 135.387,892 50.29,895 156.349,896 426.965,897 135.387,899 90.282,900 129.926,901 59.699,902 57.83,903 27.83,904 353.133,906 376.675,907 291.736,908 50.29,911 235.422,912 191.543,915 159.875,916 112.909,917 18.952,919 376.675,920 185.677,921 156.349,924 376.675,925 62.445,926 93.905,927 69.593,928 116.084,929 376.675,930 185.677,931 156.349,933 0.584,934 0.341,935 0.179,936 0.1,937 32,938 14,939 0.126,940 11,941 2,942 1.133,943 5.448,944 408.645,945 0.133,946 30,947 184.477,951 28.63,952 12.802,953 6.477,954 4.198,955 152.106,956 15.3,958 6.654,961 3.456,963 135.387,964 718.701,965 61,970 23.255,972 4.695,974 1.898,975 81.287,976 92.467,977 0.226,978 0.58,979 0.748,980 0.797,981 0.797,982 0.797,983 5.38,984 2.226,985 6.267,986 6.789,987 4.89,988 5.421,989 1.701,990 7.081,991 4.866,992 6.584,993 1.736,994 7.828,995 6.784,996 4.443,997 5.278,999 7.995,1000 4.426,1001 7.898,1002 1.54,1003 9.489,1004 4.465,1005 6.488,1006 7.655,1007 1.566,1008 11.094,1009 6.446,1010 9.249,1011 1.495,1012 11.21,1013 4.457,1014 6.889,1015 8.414,1017 12.865,1018 6.853,1019 10.638,1020 1.364,1021 12.971,1022 3.536,1023 8.377,1024 10.254,1025 1.516,1026 15.478,1027 8.323,1028 12.051,1029 1.357,1030 14.759,1031 3.361,1032 9.164,1033 11.424,1035 17.601,1036 9.113,1037 13.485,1038 1.132,1039 16.566,1040 3.305,1041 10.432,1042 13.06,1043 1.482,1044 20.06,1045 10.368,1046 3.181,1047 1.056,1048 18.389,1049 2.716,1050 11.404,1051 14.419,1053 22.336,1054 11.338,1055 3.181,1056 10.962,1057 20.224,1058 2.683,1059 12.585,1060 15.976,1061 1.45,1062 24.746,1063 12.509,1064 2.715,1065 10.962,1066 22.069,1067 4.552,1068 13.646,1069 17.42,1071 27.087,1072 13.564,1073 2.715,1074 8.308,1075 23.922,1076 4.552,1077 14.797,1078 18.948,1079 1.419,1080 29.482,1081 14.706,1082 2.533,1083 8.308,1084 25.782,1085 3.498,1086 15.9,1087 20.43,1089 31.852,1090 15.802,1091 2.528,1092 7.524,1093 27.647,1094 3.498,1095 17.043,1096 21.948,1097 1.388,1098 34.245,1099 16.936,1100 2.239,1101 7.524,1102 29.518,1103 3.182,1104 18.168,1105 23.448,1107 36.628,1108 18.053,1109 37860,1110 58082,1111 32.016,1112 53.887,1113 71.759,1114 72.747,1115 72.529,1116 70.912,1117 70.968,1118 91.301,1119 5.519,1120 204.195,1121 70.045,1122 5.597,1123 5.509,1124 6.549,1125 5.211,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 19.482,1132 1.527,1133 1.548,1134 1.543,1135 1.509,1136 1.51,1137 1.943,1138 0.117,1139 4.345,1140 1.49,1141 4.172,1142 4.204,1143 4.131,1144 4.096,1145 7.439,1146 4.1,1147 4.127,1148 4.157,1149 4.091,1150 4.054,1151 7.435,1152 4.059,1153 3.872,1154 3.929,1155 3.762,1156 3.757,1157 4.998,1158 3.751,1159 3.836,1160 3.887,1161 3.733,1162 3.736,1163 4.963,1164 3.728,1165 3.662,1166 3.723,1167 3.544,1168 3.53,1169 4.863,1170 3.519,1171 3.554,1172 3.597,1173 3.493,1174 3.379,1175 4.863,1176 3.398,1177 3.536,1178 3.584,1179 3.44,1180 3.359,1181 4.471,1182 3.374,1183 3.319,1184 3.404,1185 3.187,1186 3.103,1187 4.431,1188 3.114,1189 0.098,1190 0.075,1191 0.143,1192 0.089,1193 0.068,1194 4.618,1195 0.097,1196 3.509,1197 0.021,1198 6.724,1199 0.233,1200 4.172,1201 0.067,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.979,1208 1.958,1209 2.097,1210 2.065,1211 1.423,1212 2.077,1213 1.977,1214 1.957,1215 2.087,1216 2.056,1217 1.41,1218 2.066,1219 1.869,1220 1.825,1221 2.007,1222 2.008,1223 1.267,1224 2.01,1225 1.858,1226 1.816,1227 1.995,1228 1.992,1229 1.159,1230 1.997,1231 1.682,1232 1.618,1233 1.922,1234 1.854,1235 1.153,1236 1.88,1237 1.485,1238 1.426,1239 1.653,1240 1.701,1241 0.85,1242 1.689,1243 1.447,1244 1.387,1245 1.616,1246 1.671,1247 0.769,1248 1.656,1249 1.299,1250 1.249,1251 1.534,1252 1.582,1253 0.707,1254 1.562,1255 4.554,1257 5.883,1258 3.045,1259 7.401,1260 5.416,1261 9.004,1262 7.535,1263 10.655,1269 10.985,1271 10.698,1272 7.502,1275 1.025,1280 50.514,1281 117.959,1282 302.483,1283 389.809,1284 415.319,1285 415.319,1286 415.319,1287 76.367,1288 9.324,1289 141.82,1290 141.82,1291 34,1292 13.028,1293 4.644,1294 3.907,1295 62.571,1296 313,1297 225,1298 0.095,1299 306.179,1300 530.9,1301 738.837,1302 228396,1304 29.053,1305 0.692,1306 0.571,1307 29.053,1308 23.97,1309 20.458,1310 0.435,1311 0.322,1312 15.009,1313 19.961,1314 14.73,1315 12.148,1316 20.458,1317 15.135,1318 18.518,1319 0.281,1320 0.177,1321 18.518,1322 11.671,1323 15.873,1324 0.178,1325 0.1,1326 15.873,1327 8.916,1328 13.022,1329 0.112,1330 0.056,1331 13.022,1332 6.47,1333 10.671,1334 0.072,1335 0.032,1336 10.671,1337 4.721,1338 0.16,1339 126.294,1340 0.177,1341 39.003,1342 0.231,1343 226,1344 529.427,1345 239.365,1346 527.297,1347 731.88,1348 494,1349 268,1350 545.723,1351 280.315,1352 558.817,1353 819.28,1354 530,1355 7.693} {0 CHEMBL277467,1 1.579,2 10.769,3 3.952,4 15.621,5 108.919,6 8.367,7 0.429,8 3.992,9 4.116,10 3.664,11 3.529,12 5.031,13 3.489,14 4.545,15 4.741,16 4.06,17 3.918,18 5.52,19 3.857,20 4.759,21 4.951,22 4.228,23 4.121,24 5.755,25 4.018,26 4.9,27 5.131,28 3.994,29 4.111,30 5.839,31 3.967,32 4.859,33 5.113,34 3.91,35 3.987,36 5.801,37 3.877,38 4.744,39 4.965,40 4.011,41 3.926,42 5.756,43 3.82,44 4.718,45 4.98,46 3.764,47 3.888,48 5.613,49 3.743,50 4.651,51 4.907,52 3.811,53 3.793,54 5.592,55 3.662,56 0.016,57 0.713,58 9.558,59 4.609,60 7.19,61 6.142,62 0.258,63 1.144,64 21.837,65 7.472,66 21.571,67 10.125,68 0.269,69 1.382,70 30.507,71 10.307,72 28.153,73 13.516,74 0.284,75 1.454,76 48.168,77 12.799,78 40.563,79 16.573,80 0.387,81 1.374,82 32.446,83 10.602,84 44.138,85 14.551,86 0.496,87 1.254,88 31.277,89 9.195,90 47.812,91 12.464,92 0.324,93 1.219,94 31.282,95 9.936,96 36.014,97 13.784,98 0.297,99 1.082,100 28.842,101 9.077,102 39.635,103 12.073,104 27,105 39,106 0.268,107 0.584,108 0.763,109 0.843,110 0.843,111 0.843,112 3.304,113 1.014,114 -4.1,115 -4.04,116 -3.83,117 1,119 40,120 1,124 2,125 4,140 6,141 2,142 4,156 1,169 6,172 3,174 1,176 3,178 8,181 2,182 5,186 3,189 8,193 5,195 1,197 2,199 4,203 3,206 1,208 1,211 5,214 2,215 3,220 1,222 6,225 1,226 4,229 1,233 4,237 4,244 3,248 1,249 4,256 1,259 1008,260 17.317,261 17.317,262 17.317,263 17.317,264 17.317,265 15.697,266 24.886,267 10.026,268 17.879,269 13.704,270 13.704,271 13.704,272 13.704,273 13.704,274 11.177,275 35.496,276 4.667,277 14.567,278 4.065,279 2.21,280 1.155,281 0.685,282 0.685,283 0.685,284 3.982,288 1,289 1,290 590,291 3,295 269.311,302 1.574,303 19.133,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 55.25,315 280,316 4.363,317 3.581,318 6.521,319 4.012,320 3.06,321 3.98,322 1.058,323 10.27,324 2.922,325 4.283,326 3.3,327 6.145,328 3.894,329 2.918,330 3.922,331 0.86,332 8.989,333 2.837,334 3.872,335 3.11,336 5.772,337 3.51,338 2.57,339 3.226,340 0.8,341 7.678,342 2.383,343 3.586,344 2.779,345 5.345,346 3.37,347 2.436,348 2.854,349 0.8,350 6.806,351 2.259,352 3.425,353 2.412,354 5.198,355 3.115,356 2.163,357 2.531,359 6.37,360 2.043,361 3.101,362 2.395,363 4.923,364 2.872,365 1.963,366 2.181,368 5.603,369 1.78,370 2.824,371 1.996,372 4.13,373 2.378,374 1.414,375 1.953,377 3.581,378 1.35,379 2.767,380 1.718,381 4.015,382 2.251,383 1.271,384 1.782,386 3.349,387 1.165,388 2.468,389 1.335,390 3.953,391 2.109,392 1.135,393 1.459,395 3.033,396 1.102,397 2,398 1.146,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 1.797,407 1.095,408 3.027,409 1.514,410 0.63,411 0.709,413 1.115,414 0.549,415 1.364,416 0.668,417 2.768,418 0.952,419 0.106,420 0.126,422 0.228,423 0.068,424 1.138,425 0.495,426 2.446,427 0.812,428 -0.126,429 -0.136,431 -0.238,432 -0.116,433 0.946,434 0.099,435 2.376,436 0.767,437 -0.207,438 -0.248,440 -0.475,441 -0.196,442 0.747,443 -0.193,444 2.294,445 0.327,446 -0.648,447 -0.805,449 -1.678,450 -0.576,451 13.2,452 0.508,453 0.698,454 0.027,455 31.75,456 1.221,457 15,458 0.577,459 16.75,460 0.644,461 24.09,462 0.927,463 28.2,464 0.564,465 22.364,466 0.86,467 6.253,468 0.241,469 6.221,470 0.239,471 0.24,473 0.326,479 0.799,480 1.473,481 0.522,482 0.995,483 0.602,484 0.986,485 1.135,486 0.957,487 0.581,488 0.672,489 0.604,490 0.742,491 0.987,492 1.097,493 0.885,494 1.003,495 0.834,496 1.056,497 1.005,498 1.137,499 1.182,500 1.203,501 1.061,502 1.136,503 1.189,504 0.919,505 0.362,506 0.721,507 1.247,508 0.828,509 1.266,510 1.032,511 0.553,512 0.91,513 1.462,514 1.012,515 0.619,516 0.95,517 0.557,518 0.875,519 0.623,520 0.942,521 1.282,522 0.845,523 0.553,524 0.723,525 1.484,526 0.817,527 6,528 0.182,529 3.556,530 1.625,531 1.689,532 0.833,533 0.606,534 0.542,535 0.246,536 0.183,537 7682,538 20563,539 2.014,540 48,541 3,542 20,545 1,550 1.692,551 1.857,552 3.404,553 -0.332,555 1,559 78.96,560 1.579,561 3.434,562 4.488,563 4.959,564 4.959,565 4.959,566 2.874,567 3.95,568 4.672,569 3.535,570 1148.79,571 8.1,572 14402.1,574 1,576 1,577 282.193,578 1.502,579 4.615,580 0.214,581 0.01,582 0.091,583 0.04,584 0.048,585 0.025,586 0.02,587 0.019,588 0.009,589 0.009,590 0.485,591 0.5,592 1,593 0.819,594 127.368,595 -0.017,596 -0.257,597 0.009,598 -0.083,599 -0.031,600 -0.029,601 -0.081,602 0.185,603 0.045,604 0.201,605 0.071,606 0.179,607 -0.038,608 0.007,609 -0.026,610 -0.047,611 0.025,612 -0.097,613 -0.044,614 -0.166,615 -0.122,616 -0.193,617 -0.01,618 -0.143,619 -0.045,620 0.051,621 0.048,622 0.094,623 -0.019,624 0.095,625 0.008,626 -0.015,627 0.024,628 -0.053,629 -0.088,630 -0.094,631 0.165,632 0.025,633 0.025,634 0.001,635 0.129,636 0.023,637 -0.116,638 0.094,639 0.068,640 0.154,641 -0.072,642 0.129,643 1.782,644 5.585,645 0.692,646 22.734,647 0.998,648 1.126,649 2.868,650 8.223,651 0.673,652 3.367,653 3.689,654 3.932,655 4.127,656 4.382,657 4.382,658 4.431,659 4.489,660 4.5,661 4.554,662 6.3,663 0.626,664 418.37,665 3.367,666 4.905,667 5.746,668 6.613,669 7.473,670 8.342,671 9.207,672 10.077,673 10.944,674 11.815,675 6,678 1,681 1,682 1,688 6,693 6,695 12,702 1,709 1,712 1,713 1,714 50,716 13,717 2,718 28,719 1,720 52,721 20,722 12,723 6,724 6,725 1,730 3,731 3,736 1,745 13,746 7,750 1,755 1,759 1,761 1,764 24,765 5,766 1,767 6,768 1,773 3,777 1,778 2,793 3,815 1,819 3,822 1,823 3,827 26,833 4,834 1,835 1,838 2,846 1,847 4,850 1,852 1,854 14,855 9.876,856 5.778,857 2.887,858 2.178,859 1.309,860 0.97,861 6.222,862 9.231,863 3.584,864 4.143,865 4.659,866 5.14,867 5.66,868 5.779,869 5.968,870 6.139,871 6.405,872 6.716,873 1,874 41,875 9.615,877 3.956,878 7.631,879 18.614,881 14.952,883 2.131,884 55.417,886 1,887 1,888 270.735,889 118.273,890 70.213,892 36.145,895 164.227,896 306.88,897 24.259,898 28.105,899 26.434,900 56.857,901 29.85,902 37.432,904 270.735,905 45.954,906 270.735,907 142.532,908 36.145,910 45.954,911 270.735,912 36.145,915 38.383,916 104.149,918 45.954,919 270.735,920 60.404,921 164.227,924 270.735,925 33.311,926 91.211,927 63.965,928 36.145,929 270.735,930 60.404,931 164.227,933 0.585,934 0.345,935 0.172,936 0.1,937 18,938 9,939 0.077,940 4,942 1,943 3.725,944 213.287,946 18,947 118.211,951 19.21,952 8.421,953 4.602,955 60.404,956 11.376,961 5.284,963 18.011,964 495.366,965 35,970 12.585,974 -0.116,975 49.909,976 56.323,977 0.28,978 0.608,979 0.795,980 0.879,981 0.879,982 0.879,983 4.828,984 1.271,985 5.74,986 3.581,987 4.369,988 4.828,989 1.893,990 6.532,991 4.26,992 6.022,993 1.135,994 7.298,995 3.349,996 4.007,997 4.663,998 0.57,999 7.402,1000 3.821,1001 7.323,1002 1,1003 8.95,1004 3.033,1005 5.958,1006 6.956,1007 1.709,1008 10.456,1009 5.76,1010 8.655,1011 0.63,1012 10.656,1013 2.275,1014 6.365,1015 7.56,1016 0.479,1017 12.112,1018 6.093,1019 10.016,1020 0.106,1021 12.395,1022 1.115,1023 7.808,1024 9.374,1025 1.641,1026 14.693,1027 7.528,1028 11.396,1029 -0.126,1030 14.157,1031 0.228,1032 8.566,1033 10.334,1034 0.346,1035 16.696,1036 8.225,1037 12.792,1038 -0.207,1039 15.935,1040 -0.238,1041 9.803,1042 11.94,1043 1.626,1044 19.104,1045 9.445,1046 3.06,1047 -0.648,1048 17.726,1049 -0.475,1050 10.732,1051 13.084,1052 0.237,1053 21.271,1054 10.323,1055 2.918,1056 10.27,1057 19.528,1058 -1.678,1059 11.882,1060 14.586,1061 1.645,1062 23.614,1063 11.449,1064 2.57,1065 8.989,1066 21.338,1067 3.98,1068 12.895,1069 15.83,1070 0.158,1071 25.858,1072 12.417,1073 2.436,1074 7.678,1075 23.155,1076 3.922,1077 14.009,1078 17.275,1079 1.689,1080 28.179,1081 13.502,1082 2.163,1083 6.806,1084 24.978,1085 3.226,1086 15.064,1087 18.574,1088 0.104,1089 30.461,1090 14.515,1091 1.963,1092 6.37,1093 26.807,1094 2.854,1095 16.166,1096 19.989,1097 1.749,1098 32.776,1099 15.584,1100 1.414,1101 5.603,1102 28.64,1103 2.531,1104 17.243,1105 21.32,1106 0.068,1107 35.076,1108 16.62,1109 7558,1110 12509,1111 18.205,1112 33.654,1113 41.704,1114 43.258,1115 43.603,1116 41.344,1117 41.331,1118 51.446,1119 7.037,1120 118.591,1121 38.847,1122 5.363,1123 5.581,1124 6.062,1125 5.079,1126 5.06,1127 6.98,1128 2.117,1129 16.994,1130 4.922,1131 14.803,1132 1.489,1133 1.545,1134 1.557,1135 1.477,1136 1.476,1137 1.837,1138 0.251,1139 4.235,1140 1.387,1141 4.006,1142 4.041,1143 6.88,1144 3.929,1145 7.429,1146 3.923,1147 3.909,1148 3.937,1149 3.94,1150 3.839,1151 4.866,1152 3.837,1153 3.741,1154 3.804,1155 3.793,1156 3.558,1157 4.706,1158 3.565,1159 3.391,1160 3.429,1161 3.623,1162 3.197,1163 4.417,1164 3.209,1165 3.221,1166 3.304,1167 3.275,1168 2.99,1169 4.347,1170 2.987,1171 3.187,1172 3.275,1173 3.032,1174 2.941,1175 3.906,1176 2.94,1177 3.111,1178 3.206,1179 3.01,1180 2.94,1181 3.874,1182 2.91,1183 3.092,1184 3.163,1185 2.889,1186 2.933,1187 3.782,1188 2.909,1189 0.156,1190 0.128,1191 0.233,1192 0.143,1193 0.109,1194 4.363,1195 0.142,1196 3.581,1197 0.038,1198 6.521,1199 0.367,1200 4.012,1201 0.104,1202 3.06,1203 3.98,1204 1.058,1205 10.27,1206 2.922,1207 1.943,1208 1.921,1209 2.039,1210 2.074,1211 1.305,1212 2.067,1213 1.893,1214 1.866,1215 1.993,1216 1.991,1217 1.154,1218 2.001,1219 1.705,1220 1.636,1221 1.896,1222 1.893,1223 1.047,1224 1.899,1225 1.298,1226 1.256,1227 1.58,1228 1.57,1229 0.825,1230 1.564,1231 1.193,1232 1.118,1233 1.552,1234 1.479,1235 0.643,1236 1.504,1237 1.173,1238 1.07,1239 1.537,1240 1.436,1241 0.62,1242 1.474,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.574,1248 1.429,1249 1.069,1250 1.012,1251 1.246,1252 1.305,1253 0.295,1254 1.311,1255 4.043,1257 5.361,1259 6.876,1261 8.476,1263 10.117,1264 3.464,1265 5.781,1271 3.905,1272 2.998,1273 5.526,1276 4.614,1280 31.314,1281 78.96,1282 171.686,1283 224.418,1284 247.928,1285 247.928,1286 247.928,1287 42.926,1288 7.053,1289 44.81,1290 44.81,1291 18,1292 12.358,1293 3.807,1294 3,1295 44.318,1296 98,1297 94,1298 0.221,1299 200.235,1300 347.06,1301 480.332,1302 10184,1303 2,1304 18.681,1305 0.719,1306 0.653,1307 19.681,1308 16.967,1309 12.474,1310 0.445,1311 0.338,1312 8.579,1313 11.436,1314 8.205,1315 6.843,1316 13.051,1317 9.46,1318 11.272,1319 0.289,1320 0.191,1321 12.013,1322 7.449,1323 9.496,1324 0.19,1325 0.112,1326 10.353,1327 5.591,1328 7.196,1329 0.118,1330 0.054,1331 7.498,1332 3.298,1333 6.071,1334 0.077,1335 0.031,1336 6.46,1337 2.457,1338 0.347,1339 86.586,1340 0.234,1341 25.089,1342 0.609,1343 134,1344 375.749,1345 211.181,1346 398.222,1347 530.96,1348 372,1349 156,1350 357.746,1351 202.172,1352 379.48,1353 550.47,1354 353,1355 7.9} {0 CHEMBL278610,1 1.451,2 19.122,3 3.825,4 14.634,5 164.631,6 6.972,7 0.435,8 4.457,9 4.595,10 3.963,11 4.016,12 5.497,13 3.98,14 5.015,15 5.192,16 4.338,17 4.464,18 6.038,19 4.393,20 5.336,21 5.568,22 4.388,23 4.624,24 6.26,25 4.515,26 5.401,27 5.647,28 4.315,29 4.631,30 6.29,31 4.496,32 5.415,33 5.688,34 4.23,35 4.584,36 6.196,37 4.428,38 5.361,39 5.632,40 4.207,41 4.502,42 6.222,43 4.352,44 5.302,45 5.583,46 4.041,47 4.386,48 6.151,49 4.23,50 5.197,51 5.475,52 3.935,53 4.279,54 6.046,55 4.128,56 0.099,57 1.191,58 17.647,59 7.119,60 15.183,61 9.962,62 0.259,63 1.951,64 32.006,65 12.96,66 44.512,67 18.352,68 0.351,69 2.475,70 46.544,71 17.474,72 58.796,73 25.205,74 0.423,75 2.575,76 50.264,77 18.644,78 64.733,79 27.04,80 0.356,81 2.509,82 51.781,83 19.46,84 52.77,85 28.581,86 0.472,87 2.397,88 49.229,89 17.817,90 60.183,91 26.406,92 0.491,93 2.23,94 47.23,95 15.808,96 68.452,97 23.647,98 0.434,99 1.976,100 42.625,101 14.14,102 65.625,103 21.027,104 21,105 65,106 0.219,107 0.563,108 0.721,109 0.765,110 0.765,111 0.765,112 3.741,113 0.954,114 -3.62,115 -3.59,116 -3.42,119 41.8,121 7,125 2,127 2,134 2,135 2,140 6,141 6,149 2,150 2,156 2,161 2,162 2,163 2,169 20,172 2,173 2,174 2,176 14,178 24,180 2,182 4,186 14,189 22,191 4,193 4,196 1,197 12,199 18,201 4,203 2,208 8,211 18,213 2,215 2,218 2,219 2,220 8,221 2,222 14,224 2,226 4,230 2,231 10,233 6,235 4,237 4,242 10,244 6,246 4,254 6,256 10,259 3572,260 28.015,261 28.015,262 28.015,263 28.015,264 28.015,265 25.025,266 26.788,267 16.392,268 28.215,269 22.703,270 22.703,271 22.703,272 22.703,273 22.703,274 18.059,275 34.203,276 7.775,277 23.023,278 4.853,279 2.581,280 1.532,281 1.241,282 1.241,283 1.241,284 4.456,290 1748,291 4.123,294 224.817,295 567.206,298 413.535,302 2.991,303 34.269,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.5,312 0.5,313 0.49,314 87,315 784,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.618,326 3.509,327 6.724,328 4.172,329 3.181,330 4.552,331 0.98,332 10.962,333 3.154,334 4.056,335 3.202,336 5.943,337 3.72,338 2.716,339 3.498,340 0.4,341 8.308,342 2.724,343 4.056,344 3.201,345 5.943,346 3.719,347 2.714,348 3.498,349 0.4,350 8.308,351 2.724,352 3.823,353 2.784,354 5.687,355 3.52,356 2.536,357 3.182,359 7.525,360 2.491,361 3.822,362 2.772,363 5.687,364 3.511,365 2.525,366 3.182,368 7.523,369 2.484,370 3.422,371 2.448,372 5.311,373 3.219,374 2.242,375 2.513,377 6.794,378 2.185,379 3.397,380 2.418,381 5.305,382 3.198,383 2.221,384 2.498,386 6.779,387 2.165,388 3.017,389 1.913,390 4.587,391 2.642,392 1.663,393 2.17,395 4.467,396 1.626,397 3,398 1.902,399 4.586,400 2.518,401 1.531,402 2.147,404 4.454,405 1.51,406 2.887,407 1.767,408 4.049,409 2.451,410 1.464,411 1.972,413 3.44,414 1.444,415 2.885,416 1.633,417 4.045,418 2.359,419 1.362,420 1.964,422 3.357,423 1.346,424 2.62,425 1.545,426 3.758,427 2.353,428 1.353,429 1.625,431 3.217,432 1.342,433 2.565,434 1.373,435 3.749,436 2.064,437 1.076,438 1.547,440 2.701,441 1.058,442 2.529,443 1.331,444 3.691,445 2.04,446 1.05,447 1.499,449 2.673,450 1.035,451 19.567,452 0.477,453 0.972,454 0.024,455 48,456 1.171,457 22,458 0.537,459 26,460 0.634,461 42.366,462 1.033,463 44.033,464 0.557,465 37.779,466 0.921,467 9.136,468 0.223,469 10.822,470 0.264,471 0.075,473 0.358,479 0.899,480 1.111,481 0.886,482 0.945,483 0.713,484 0.906,485 0.652,486 1.141,487 0.926,488 1.075,489 0.423,490 1.036,491 0.905,492 1.055,493 0.985,494 1.028,495 0.71,496 1.016,497 0.892,498 1.038,499 1.073,500 1.087,501 0.791,502 1.097,503 0.649,504 1.012,505 0.911,506 1.031,507 0.588,508 1.007,509 0.6,510 1.063,511 0.924,512 1.078,513 0.51,514 1.044,515 0.997,516 0.992,517 1.051,518 1.01,519 0.866,520 1.028,521 1.182,522 0.987,523 1.063,524 0.98,525 1.176,526 1.001,527 7.5,528 0.164,529 5.111,530 2.139,531 1.921,532 1.41,533 0.958,534 0.547,535 0.342,536 0.234,537 38012,538 90104,539 2.147,540 48.1,541 4,542 14,543 2,545 8,547 8,548 2,550 1.794,551 2.033,552 4.168,553 4.504,559 114.603,560 1.451,561 3.722,562 4.772,563 5.063,564 5.063,565 5.063,566 3.565,567 4.089,568 5.334,569 4.414,570 3619.82,571 9.35,572 72665.6,577 497.999,578 1.325,579 5.3,580 0.163,581 0.005,582 0.079,583 0.032,584 0.033,585 0.026,586 0.019,587 0.013,588 0.009,589 0.007,590 0.386,591 0.17,592 0.63,593 0.671,594 242.791,595 -0.114,596 0.118,597 0.026,598 0.124,599 -0.073,600 0.101,601 0.078,602 -0.013,603 -0.004,604 -0.014,605 0.164,606 -0.017,607 -0.069,608 -0.029,609 -0.025,610 -0.01,611 0.032,612 -0.011,613 -0.069,614 -0.034,615 -0.108,616 -0.08,617 -0.037,618 -0.095,619 0.029,620 -0.072,621 0.052,622 -0.021,623 0.022,624 0.013,625 0.167,626 -0.104,627 0.051,628 -0.089,629 0.135,630 -0.042,631 -0.038,632 -0.029,633 -0.05,634 -0.056,635 -0.029,636 -0.054,637 -0.114,638 -0.036,639 -0.054,640 -0.024,641 -0.115,642 -0.029,643 2.063,644 4.626,645 0.732,646 60.174,647 0.992,648 1.127,649 2.385,650 5.69,651 0.66,652 3.85,653 4.19,654 4.489,655 4.754,656 5.004,657 5.147,658 5.283,659 5.371,660 5.425,661 5.485,662 11.361,663 0.62,664 550.77,665 3.85,666 5.407,667 6.271,668 7.154,669 8.036,670 8.925,671 9.814,672 10.708,673 11.602,674 12.498,675 7.6,677 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,701 2,714 79,716 24,717 2,718 46,720 84,721 33,722 16,723 6,724 6,725 6,730 6,731 8,740 8,743 9,745 22,746 11,750 4,755 2,757 2,759 4,764 38,765 6,766 8,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,810 2,811 2,814 2,819 4,827 41,828 2,833 9,834 2,837 2,847 2.5,850 2,854 20.167,855 13.5,856 8.889,857 4.931,858 4.864,859 1.523,860 1.033,861 8.218,862 14.17,863 4.111,864 4.723,865 5.348,866 5.965,867 6.509,868 6.946,869 7.356,870 7.68,871 7.802,872 8.035,873 1,874 66,875 15.209,877 6.61,878 7.65,879 29.732,881 25.65,883 2.15,884 88.167,888 353.133,889 153.815,890 135.387,892 50.29,895 153.815,896 403.423,897 135.387,899 87.748,900 129.926,901 59.699,902 57.83,903 27.83,904 329.591,906 353.133,907 289.202,908 50.29,911 235.422,912 168.001,915 157.34,916 112.909,917 18.952,919 353.133,920 185.677,921 153.815,924 353.133,925 59.91,926 93.905,927 69.593,928 116.084,929 353.133,930 185.677,931 153.815,933 0.586,934 0.343,935 0.18,936 0.101,937 32,938 14,939 0.119,940 10,941 2,942 1.133,943 5.333,944 399.937,945 0.133,946 30,947 179.66,951 27.678,952 12.174,953 6.092,954 4.182,955 152.106,956 15.276,958 6.649,961 3.44,963 135.387,964 692.625,965 60,970 23.252,972 4.681,974 1.88,975 78.403,976 89.052,977 0.23,978 0.591,979 0.757,980 0.803,981 0.803,982 0.803,983 5.366,984 2.221,985 6.256,986 6.794,987 4.875,988 5.412,989 1.701,990 7.074,991 4.85,992 6.574,993 1.663,994 7.82,995 6.779,996 4.443,997 5.278,999 7.995,1000 4.426,1001 7.891,1002 1.531,1003 9.483,1004 4.467,1005 6.479,1006 7.652,1007 1.566,1008 11.093,1009 6.436,1010 9.245,1011 1.464,1012 11.206,1013 4.454,1014 6.889,1015 8.414,1017 12.865,1018 6.853,1019 10.634,1020 1.362,1021 12.968,1022 3.44,1023 8.372,1024 10.254,1025 1.516,1026 15.478,1027 8.319,1028 12.049,1029 1.353,1030 14.757,1031 3.357,1032 9.164,1033 11.424,1035 17.601,1036 9.113,1037 13.484,1038 1.076,1039 16.566,1040 3.217,1041 10.43,1042 13.06,1043 1.482,1044 20.06,1045 10.366,1046 3.181,1047 1.05,1048 18.389,1049 2.701,1050 11.404,1051 14.419,1053 22.336,1054 11.338,1055 3.181,1056 10.962,1057 20.224,1058 2.673,1059 12.585,1060 15.976,1061 1.45,1062 24.746,1063 12.508,1064 2.716,1065 10.962,1066 22.069,1067 4.552,1068 13.646,1069 17.42,1071 27.087,1072 13.564,1073 2.714,1074 8.308,1075 23.922,1076 4.552,1077 14.796,1078 18.948,1079 1.419,1080 29.482,1081 14.705,1082 2.536,1083 8.308,1084 25.781,1085 3.498,1086 15.9,1087 20.43,1089 31.852,1090 15.802,1091 2.525,1092 7.525,1093 27.647,1094 3.498,1095 17.043,1096 21.948,1097 1.388,1098 34.245,1099 16.936,1100 2.242,1101 7.523,1102 29.518,1103 3.182,1104 18.168,1105 23.448,1107 36.628,1108 18.053,1109 34654,1110 53552,1111 31.323,1112 52.126,1113 70.543,1114 71.411,1115 71.336,1116 69.556,1117 69.631,1118 89.961,1119 5.519,1120 201.498,1121 68.711,1122 5.595,1123 5.509,1124 6.494,1125 5.214,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 19.108,1132 1.534,1133 1.552,1134 1.551,1135 1.512,1136 1.514,1137 1.956,1138 0.12,1139 4.38,1140 1.494,1141 4.172,1142 4.203,1143 4.13,1144 4.095,1145 7.439,1146 4.1,1147 4.127,1148 4.157,1149 4.091,1150 4.054,1151 7.435,1152 4.059,1153 3.871,1154 3.929,1155 3.763,1156 3.757,1157 4.998,1158 3.751,1159 3.831,1160 3.882,1161 3.729,1162 3.733,1163 4.963,1164 3.726,1165 3.625,1166 3.684,1167 3.53,1168 3.475,1169 4.863,1170 3.474,1171 3.55,1172 3.594,1173 3.49,1174 3.375,1175 4.863,1176 3.394,1177 3.52,1178 3.574,1179 3.404,1180 3.339,1181 4.476,1182 3.35,1183 3.248,1184 3.327,1185 3.135,1186 3.044,1187 4.424,1188 3.06,1189 0.1,1190 0.076,1191 0.146,1192 0.091,1193 0.069,1194 4.618,1195 0.099,1196 3.509,1197 0.021,1198 6.724,1199 0.238,1200 4.172,1201 0.069,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.979,1208 1.958,1209 2.097,1210 2.066,1211 1.421,1212 2.078,1213 1.977,1214 1.957,1215 2.085,1216 2.055,1217 1.407,1218 2.064,1219 1.869,1220 1.826,1221 2.004,1222 2.008,1223 1.199,1224 2.01,1225 1.855,1226 1.814,1227 1.993,1228 1.989,1229 1.158,1230 1.995,1231 1.631,1232 1.564,1233 1.869,1234 1.819,1235 1.141,1236 1.839,1237 1.474,1238 1.416,1239 1.633,1240 1.692,1241 0.795,1242 1.677,1243 1.431,1244 1.368,1245 1.609,1246 1.661,1247 0.759,1248 1.648,1249 1.281,1250 1.241,1251 1.461,1252 1.559,1253 0.704,1254 1.528,1255 4.533,1257 5.866,1258 3.045,1259 7.388,1260 5.416,1261 8.995,1262 7.535,1263 10.65,1269 10.981,1271 9.353,1272 7.479,1275 0.994,1280 48.987,1281 114.603,1282 294.076,1283 376.979,1284 399.999,1285 399.999,1286 399.999,1287 73.345,1288 9.306,1289 141.82,1290 141.82,1291 34,1292 13.023,1293 4.644,1294 3.907,1295 60.303,1296 292,1297 213,1298 0.098,1299 296.587,1300 513.6,1301 715.432,1302 217064,1304 28.346,1305 0.691,1306 0.567,1307 28.346,1308 23.263,1309 19.958,1310 0.434,1311 0.318,1312 14.509,1313 19.461,1314 14.24,1315 11.731,1316 19.958,1317 14.635,1318 18.164,1319 0.279,1320 0.174,1321 18.164,1322 11.317,1323 15.623,1324 0.178,1325 0.098,1326 15.623,1327 8.666,1328 12.846,1329 0.112,1330 0.055,1331 12.846,1332 6.308,1333 10.546,1334 0.071,1335 0.031,1336 10.546,1337 4.616,1338 0.166,1339 123.294,1340 0.179,1341 38.107,1342 0.241,1343 222,1344 525.427,1345 235.365,1346 523.136,1347 726.12,1348 490,1349 264,1350 541.723,1351 276.315,1352 554.655,1353 813.52,1354 526,1355 7.564} {0 CHEMBL279436,1 1.492,2 16.023,3 3.907,4 15.262,5 175.406,6 7.154,7 0.375,8 4.494,9 4.622,10 4.018,11 4.05,12 5.602,13 4.014,14 5.041,15 5.214,16 4.387,17 4.477,18 6.163,19 4.415,20 5.36,21 5.564,22 4.538,23 4.714,24 6.326,25 4.629,26 5.555,27 5.769,28 4.631,29 4.828,30 6.6,31 4.727,32 5.68,33 5.917,34 4.614,35 4.87,36 6.688,37 4.751,38 5.684,39 5.947,40 4.525,41 4.797,42 6.711,43 4.657,44 5.594,45 5.87,46 4.287,47 4.632,48 6.532,49 4.482,50 5.403,51 5.68,52 4.231,53 4.453,54 6.348,55 4.319,56 0.151,57 1.199,58 17.643,59 7.668,60 16.333,61 10.382,62 0.346,63 1.948,64 32.386,65 13.294,66 66.574,67 18.393,68 0.309,69 2.574,70 46.101,71 18.23,72 59.866,73 25.358,74 0.566,75 2.999,76 57.489,77 22.443,78 97.616,79 31.001,80 0.586,81 3.287,82 67.043,83 24.609,84 125.503,85 34.706,86 0.823,87 3.264,88 68.828,89 24.037,90 156.649,91 35.16,92 0.761,93 2.876,94 64.646,95 21.023,96 137.295,97 30.694,98 0.637,99 2.368,100 53.129,101 18.357,102 87.32,103 26.541,104 54,105 68,106 0.224,107 0.529,108 0.663,109 0.753,110 0.787,111 0.79,112 3.81,113 0.941,114 -5,115 -4.9,116 -4.6,119 42.2,120 2,121 3,122 1,123 1,125 4,135 2,137 2,140 14,141 3,142 1,156 2,161 1,162 1,163 1,164 2,169 23,171 1,172 7,173 1,174 2,176 7,178 33,180 1,182 9,186 3,189 32,191 1,193 14,195 3,196 2,197 7,198 1,199 30,201 3,203 11,208 6,211 20,213 2,214 2,215 15,217 1,218 2,219 1,220 11,221 1,222 17,224 3,226 7,231 1,233 10,236 2,237 8,239 1,240 4,242 3,244 10,246 1,248 4,249 7,251 2,252 6,254 4,256 5,259 4062,260 29.534,261 29.534,262 29.534,263 29.534,264 29.534,265 26.195,266 42.274,267 17.365,268 29.794,269 23.62,270 23.62,271 23.62,272 23.62,273 23.62,274 18.744,275 58.949,276 8.1,277 23.988,278 4.883,279 2.848,280 1.953,281 1.35,282 1.127,283 1.103,284 4.509,289 1,290 1522,291 4.583,295 834.676,302 2.16,303 50.839,306 0.75,307 0.5,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.71,314 94.5,315 705,316 4.726,317 3.941,318 7.963,319 4.612,320 3.613,321 4.11,322 2.612,323 15.124,324 3.61,325 4.641,326 3.888,327 7.131,328 4.344,329 3.348,330 4.058,331 1.36,332 12.406,333 3.333,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.058,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 0.98,350 8.257,351 2.681,352 3.767,353 3.136,354 5.702,355 3.386,356 2.459,357 3.298,358 0.8,359 7.456,360 2.325,361 3.736,362 2.788,363 5.58,364 3.352,365 2.373,366 3.208,367 0.759,368 6.949,369 2.278,370 3.517,371 2.744,372 5.348,373 3.278,374 2.278,375 2.711,376 0.68,377 6.623,378 2.278,379 3.351,380 2.372,381 5.011,382 3.041,383 2.058,384 2.452,385 0.359,386 5.614,387 2.008,388 3.274,389 2.361,390 4.751,391 2.903,392 1.908,393 2.393,395 4.865,396 1.896,397 3.096,398 2.154,399 4.615,400 2.687,401 1.704,402 2.152,404 4.442,405 1.667,406 3.014,407 1.928,408 4.366,409 2.482,410 1.482,411 2.111,413 3.712,414 1.475,415 2.781,416 1.703,417 3.802,418 2.354,419 1.354,420 1.908,422 2.976,423 1.348,424 2.566,425 1.632,426 3.767,427 2.317,428 1.317,429 1.568,431 2.901,432 1.317,433 2.5,434 1.38,435 3.683,436 2.106,437 1.113,438 1.5,440 2.717,441 1.104,442 2.5,443 1.168,444 3.669,445 2.039,446 1.036,447 1.5,449 2.572,450 1.036,451 20.833,452 0.473,453 1.136,454 0.026,455 54.25,456 1.233,457 27,458 0.614,459 27.25,460 0.619,461 47.625,462 1.082,463 47.567,464 0.573,465 50.307,466 1.143,467 10.733,468 0.244,469 10.475,470 0.238,471 0.131,472 0.024,473 0.302,479 0.554,480 1.154,481 0.826,482 1.011,483 0.552,484 0.96,485 0.54,486 1.088,487 0.856,488 1.017,489 0.387,490 0.982,491 0.777,492 1.045,493 0.962,494 1.036,495 0.627,496 1.019,497 0.808,498 1.063,499 1.005,500 1.119,501 0.825,502 1.099,503 0.961,504 1.104,505 1.033,506 1.083,507 0.955,508 1.073,509 0.709,510 1.076,511 0.981,512 1.066,513 0.628,514 1.06,515 1.12,516 0.963,517 1.083,518 0.96,519 1.069,520 1.002,521 0.784,522 0.933,523 0.858,524 0.97,525 0.885,526 0.935,527 8.5,528 0.293,529 5.778,530 4,531 2.849,532 2.201,533 1.127,534 0.771,535 0.625,536 0.295,537 35614,538 92383,539 2.051,540 47,541 1,542 22,545 4,547 10,548 2,550 1.821,551 1.906,552 3.848,553 1.331,559 123.863,560 1.492,561 3.527,562 4.422,563 5.025,564 5.248,565 5.273,566 3.306,567 4.596,568 5.436,569 4.141,570 3916.91,571 9.612,572 75138.4,577 529.128,578 1.555,579 5.379,580 0.177,581 0.007,582 0.085,583 0.051,584 0.035,585 0.028,586 0.016,587 0.015,588 0.012,589 0.006,590 0.432,592 0.75,593 0.749,594 257.694,595 0.098,596 0.06,597 0.04,598 0.069,599 -0.02,600 0.048,601 0.147,602 0.037,603 0.045,604 0.036,605 0.19,606 0.029,607 -0.064,608 0.028,609 -0.038,610 -0.002,611 -0.009,612 -0.009,613 0.037,614 -0.041,615 -0.056,616 -0.094,617 0.017,618 -0.092,619 -0.073,620 -0.119,621 -0.061,622 -0.08,623 -0.059,624 -0.072,625 0.106,626 -0.101,627 0.003,628 -0.092,629 0.108,630 -0.066,631 -0.121,632 -0.012,633 -0.066,634 -0.014,635 -0.117,636 -0.027,637 0.143,638 -0.004,639 0.152,640 -0.004,641 0.012,642 0.059,643 2.483,644 6.587,645 0.682,646 54.969,647 0.998,648 1.125,649 3.771,650 14.218,651 0.66,652 3.892,653 4.234,654 4.543,655 4.828,656 5.075,657 5.159,658 5.236,659 5.303,660 5.293,661 5.159,662 9.635,663 0.626,664 593.79,665 3.892,666 5.451,667 6.319,668 7.217,669 8.11,670 9.018,671 9.92,672 10.833,673 11.739,674 12.654,675 6,677 1,678 1,682 2,686 1,688 14,693 4,695 18,708 1,714 83,716 24,717 3,718 48,720 87,721 35,722 18,723 4,724 14,725 6,730 5,731 5,736 2,737 1,739 1,740 2,741 1,743 3,745 24,746 11,747 1,750 6,752 1,755 4,759 6,764 39,765 8,766 4,767 9,773 5,777 1,778 4,793 5,804 1,805 1,810 2,811 2,814 1,815 1,819 5,823 2,827 44,828 1,833 7,834 2,837 1,838 1,839 1,847 4.8,850 2,853 2,854 23.083,855 15.15,856 9.722,857 5.049,858 2.886,859 1.341,860 0.972,861 9.75,862 11.346,863 4.159,864 4.723,865 5.235,866 5.75,867 6.24,868 6.43,869 6.758,870 7.064,871 7.284,872 7.154,873 1,874 78,875 16.398,877 7.118,878 7.835,879 31.227,881 26.176,883 2.335,884 102.75,888 411.989,889 199.952,890 77.713,892 101.037,895 199.952,896 513.025,897 77.713,898 23.32,899 66.934,900 150.678,901 65.213,902 21.809,904 411.989,905 50.747,906 411.989,907 277.665,908 101.037,911 270.735,912 191.543,913 50.747,915 105.72,916 160.761,917 11.184,919 411.989,920 178.75,921 199.952,924 411.989,925 49.634,926 159.112,927 36.022,928 133.934,929 411.989,930 178.75,931 199.952,933 0.583,934 0.35,935 0.197,936 0.11,937 31,938 15,939 0.115,940 10,942 1,943 5.103,944 459.27,946 30,947 210.215,951 31.338,952 13.69,953 6.71,955 173.08,956 27.425,961 3.219,963 68.919,964 790.69,965 63,967 -0.483,970 48.496,974 0.873,975 82.839,976 93.388,977 0.234,978 0.553,979 0.694,980 0.788,981 0.823,982 0.827,983 5.418,984 2.058,985 6.33,986 6.623,987 4.92,988 5.412,989 3.11,990 7.22,991 4.894,992 6.63,993 1.908,994 7.944,995 5.614,996 4.635,997 5.231,998 2.555,999 8.531,1000 4.605,1001 7.957,1002 1.704,1003 9.681,1004 4.865,1005 6.603,1006 7.548,1007 4.297,1008 11.675,1009 6.557,1010 9.321,1011 1.482,1012 11.499,1013 4.442,1014 7.194,1015 8.174,1016 4.557,1017 13.922,1018 7.155,1019 10.722,1020 1.354,1021 13.375,1022 3.712,1023 8.664,1024 9.987,1025 5.979,1026 16.697,1027 8.615,1028 12.151,1029 1.317,1030 15.292,1031 2.976,1032 9.641,1033 10.98,1034 6.568,1035 19.255,1036 9.602,1037 13.6,1038 1.113,1039 17.242,1040 2.901,1041 10.948,1042 12.58,1043 7.801,1044 21.957,1045 10.905,1046 3.613,1047 1.036,1048 19.216,1049 2.717,1050 12.091,1051 13.756,1052 8.551,1053 24.61,1054 12.055,1055 3.348,1056 15.124,1057 21.208,1058 2.572,1059 13.353,1060 15.255,1061 9.672,1062 27.304,1063 13.315,1064 2.763,1065 12.406,1066 23.216,1067 4.11,1068 14.564,1069 16.529,1070 10.51,1071 29.99,1072 14.53,1073 2.676,1074 9.057,1075 25.235,1076 4.058,1077 15.818,1078 17.977,1079 11.564,1080 32.688,1081 15.785,1082 2.459,1083 8.257,1084 27.264,1085 3.91,1086 17.059,1087 19.304,1088 12.452,1089 35.387,1090 17.027,1091 2.373,1092 7.456,1093 29.3,1094 3.485,1095 18.316,1096 20.727,1097 13.468,1098 38.09,1099 18.285,1100 2.278,1101 6.949,1102 31.343,1103 3.298,1104 19.571,1105 22.084,1106 14.386,1107 40.795,1108 19.54,1109 33673,1110 54586,1111 31.611,1112 54.79,1113 72.867,1114 74.829,1115 75.677,1116 72.066,1117 72.031,1118 92.35,1119 17.215,1120 211.698,1121 71.097,1122 5.726,1123 5.941,1124 7.765,1125 5.653,1126 5.613,1127 7.11,1128 4.612,1129 23.078,1130 5.61,1131 24.711,1132 1.518,1133 1.559,1134 1.577,1135 1.501,1136 1.501,1137 1.924,1138 0.359,1139 4.41,1140 1.481,1141 4.086,1142 4.117,1143 4.032,1144 4.011,1145 7.815,1146 4.008,1147 4.023,1148 4.05,1149 3.967,1150 3.95,1151 7.438,1152 3.951,1153 3.871,1154 3.903,1155 3.836,1156 3.753,1157 7.428,1158 3.743,1159 3.808,1160 3.841,1161 3.729,1162 3.718,1163 6.999,1164 3.733,1165 3.753,1166 3.817,1167 3.636,1168 3.6,1169 4.897,1170 3.598,1171 3.594,1172 3.653,1173 3.504,1174 3.425,1175 4.812,1176 3.429,1177 3.468,1178 3.504,1179 3.429,1180 3.306,1181 4.709,1182 3.305,1183 3.448,1184 3.489,1185 3.328,1186 3.085,1187 4.688,1188 3.156,1189 0.098,1190 0.082,1191 0.166,1192 0.096,1193 0.075,1194 4.726,1195 0.086,1196 3.941,1197 0.054,1198 7.963,1199 0.315,1200 4.612,1201 0.075,1202 3.613,1203 4.11,1204 2.612,1205 15.124,1206 3.61,1207 2.029,1208 2.002,1209 2.148,1210 2.119,1211 1.482,1212 2.128,1213 1.996,1214 1.974,1215 2.083,1216 2.112,1217 1.309,1218 2.099,1219 1.824,1220 1.794,1221 1.961,1222 1.992,1223 1.213,1224 1.959,1225 1.796,1226 1.765,1227 1.951,1228 1.915,1229 1.019,1230 1.926,1231 1.735,1232 1.674,1233 1.902,1234 1.905,1235 1.01,1236 1.923,1237 1.565,1238 1.505,1239 1.806,1240 1.768,1241 0.999,1242 1.779,1243 1.424,1244 1.379,1245 1.672,1246 1.634,1247 0.825,1248 1.632,1249 1.238,1250 1.193,1251 1.513,1252 1.624,1253 0.773,1254 1.55,1255 4.575,1257 5.911,1259 7.459,1261 9.109,1263 10.817,1265 3.521,1269 5.764,1271 6.048,1272 6.176,1275 -0.735,1276 2.458,1277 -0.012,1280 51.922,1281 123.863,1282 292.774,1283 367.031,1284 417.089,1285 435.618,1286 437.618,1287 117.604,1288 8.46,1289 133.28,1290 133.28,1291 30,1292 13.168,1293 4.644,1294 4,1295 74.311,1296 263,1297 218,1298 0.136,1299 318.508,1300 572.76,1301 768.92,1302 66252,1304 31.269,1305 0.711,1306 0.573,1307 31.269,1308 25.215,1309 21.208,1310 0.442,1311 0.314,1312 14.904,1313 20.535,1314 14.505,1315 12.02,1316 21.208,1317 15.054,1318 19.193,1319 0.282,1320 0.171,1321 19.193,1322 11.614,1323 16.071,1324 0.173,1325 0.097,1326 16.071,1327 9.007,1328 13.883,1329 0.112,1330 0.055,1331 13.883,1332 6.76,1333 11.106,1334 0.07,1335 0.031,1336 11.106,1337 4.85,1338 0.22,1339 132.065,1340 0.178,1341 39.024,1342 0.357,1343 232,1344 636.21,1345 249.488,1346 621.912,1347 838.2,1348 576,1349 277,1350 613.539,1351 293.468,1352 621.161,1353 903.15,1354 584,1355 6.222} {0 CHEMBL281350,1 1.463,2 16,3 4.699,4 22.082,5 150.216,6 7.334,7 0.511,8 4.375,9 4.485,10 3.953,11 3.95,12 5.412,13 3.925,14 4.955,15 5.126,16 4.37,17 4.401,18 5.925,19 4.362,20 5.204,21 5.385,22 4.432,23 4.593,24 6.155,25 4.515,26 5.378,27 5.598,28 4.392,29 4.622,30 6.318,31 4.516,32 5.333,33 5.574,34 4.302,35 4.529,36 6.236,37 4.418,38 5.165,39 5.386,40 4.19,41 4.447,42 6.048,43 4.335,44 5.168,45 5.405,46 4.136,47 4.376,48 6.073,49 4.257,50 5.058,51 5.288,52 4.09,53 4.258,54 6.055,55 4.164,56 0.07,57 1.017,58 14.734,59 6.752,60 10.772,61 8.787,62 0.321,63 1.765,64 29.241,65 11.627,66 27.372,67 15.578,68 0.239,69 2.189,70 37.842,71 15.722,72 34.536,73 20.987,74 0.397,75 2.472,76 48.193,77 18.729,78 62.532,79 25.337,80 0.578,81 2.31,82 47.899,83 17.882,84 65.785,85 24.481,86 0.297,87 2.046,88 38.401,89 15.084,90 41.807,91 20.724,92 0.436,93 1.974,94 39.933,95 15.466,96 48,97 21.275,98 0.302,99 1.779,100 35.673,101 13.293,102 57.898,103 18.11,104 17,105 68,106 0.226,107 0.552,108 0.74,109 0.819,110 0.844,111 0.844,112 3.693,113 0.915,114 -6.74,115 -6.56,116 -6.08,119 45.1,120 2,121 3,123 1,124 1,125 4,140 9,141 7,142 2,147 1,156 1,159 1,164 1,169 20,171 3,172 14,178 25,182 17,189 23,193 16,199 21,202 2,203 13,211 23,215 8,222 20,225 2,226 13,233 14,237 15,244 12,248 1,249 9,256 15,259 2988,260 26.557,261 26.557,262 26.557,263 26.557,264 26.557,265 23.808,266 29.544,267 14.935,268 26.957,269 22.146,270 22.146,271 22.146,272 22.146,273 22.146,274 17.811,275 37.892,276 7.045,277 22.764,278 4.687,279 2.572,280 1.349,281 0.842,282 0.68,283 0.68,284 4.416,290 1426,291 3.536,294 293.055,295 450.48,298 293.49,301 202.559,302 2.41,303 29.404,306 0.5,307 0.5,308 0.67,309 0.6,310 0.5,311 0.67,312 1,313 0.63,314 83,315 624,316 4.724,317 3.832,318 7.72,319 4.567,320 3.579,321 4.242,322 1.2,323 14.333,324 3.538,325 4.449,326 3.731,327 6.767,328 4.141,329 3.168,330 4.145,331 0.86,332 11.052,333 3.089,334 4.368,335 3.114,336 6.481,337 4.049,338 3.059,339 3.859,340 0.8,341 10.07,342 3.023,343 4.194,344 3.06,345 6.151,346 3.802,347 2.829,348 3.676,349 0.293,350 9.097,351 2.756,352 4.023,353 2.857,354 6.093,355 3.668,356 2.673,357 3.48,359 8.765,360 2.652,361 3.676,362 2.717,363 5.747,364 3.329,365 2.386,366 3.074,368 7.559,369 2.259,370 3.55,371 2.493,372 5.204,373 3.232,374 2.257,375 2.789,377 6.336,378 2.19,379 3.341,380 2.407,381 5.094,382 3.095,383 2.153,384 2.589,386 6.009,387 2.021,388 3.235,389 2.197,390 4.996,391 2.931,392 1.944,393 2.311,395 5.759,396 1.91,397 3.009,398 1.942,399 4.922,400 2.694,401 1.711,402 2.119,404 5.322,405 1.68,406 2.877,407 1.823,408 4.64,409 2.495,410 1.528,411 1.985,413 4.466,414 1.473,415 2.759,416 1.768,417 4.131,418 2.307,419 1.325,420 1.863,422 3.396,423 1.299,424 2.577,425 1.405,426 4.079,427 2.125,428 1.152,429 1.609,431 3.226,432 1.117,433 2.5,434 1.31,435 3.964,436 2,437 1,438 1.5,440 2.683,441 1,442 2.245,443 1.154,444 3.802,445 1.984,446 1,447 1.094,449 2.372,450 0.983,451 18.6,452 0.477,453 1.117,454 0.029,455 50.5,456 1.295,457 24.5,458 0.628,459 26,460 0.667,461 38.783,462 0.994,463 40.8,464 0.575,465 40.401,466 1.036,467 9.527,468 0.244,469 9.372,470 0.24,471 0.099,472 0.027,473 0.366,479 0.68,480 1.246,481 0.758,482 1.064,483 0.579,484 0.945,485 0.867,486 0.916,487 0.786,488 0.825,489 0.562,490 0.792,491 0.935,492 1.106,493 1.03,494 1.108,495 0.781,496 1.083,497 1.087,498 1.07,499 1.068,500 1.097,501 1.268,502 1.085,503 1.089,504 0.908,505 0.963,506 0.906,507 1.242,508 0.923,509 0.902,510 1.032,511 1.068,512 1.077,513 0.909,514 1.086,515 0.863,516 0.993,517 0.967,518 1.032,519 0.924,520 1.021,521 1.15,522 1.084,523 0.968,524 1.029,525 1.867,526 0.986,527 9,528 0.255,529 6.222,530 3.306,531 2.588,532 1.674,533 1.251,534 0.673,535 0.483,536 0.296,537 28784,538 65149,539 2.193,540 45.1,541 3,542 20,546 3,547 6,550 1.789,551 2.062,552 3.905,553 -0.815,559 103.877,560 1.463,561 3.578,562 4.8,563 5.308,564 5.47,565 5.47,566 3.404,567 4.907,568 5.255,569 4.097,570 3035.57,571 9.239,572 51998.1,577 436.632,578 1.497,579 5.219,580 0.2,581 0.007,582 0.092,583 0.047,584 0.04,585 0.028,586 0.024,587 0.014,588 0.01,589 0.007,590 0.469,591 0.33,592 0.63,593 0.472,594 220.134,595 0.1,596 -0.121,597 0.09,598 -0.036,599 0.024,600 0.012,601 0.068,602 0.18,603 0.136,604 0.163,605 0.107,606 0.161,607 -0.086,608 -0.066,609 -0.111,610 -0.099,611 0.021,612 -0.105,613 -0.089,614 -0.093,615 -0.093,616 -0.101,617 -0.057,618 -0.097,619 -0.019,620 0.043,621 0.044,622 0.085,623 -0.066,624 0.071,625 -0.084,626 -0.028,627 -0.113,628 -0.082,629 -0.081,630 -0.094,631 0.076,632 -0.041,633 0.021,634 -0.033,635 0.116,636 -0.017,637 -0.055,638 -0.115,639 0.032,640 -0.044,641 -0.048,642 -0.003,643 1.615,644 6.704,645 0.872,646 49.822,647 0.997,648 1.119,649 5.514,650 30.407,651 0.677,652 3.829,653 4.234,654 4.585,655 4.898,656 5.159,657 5.342,658 5.568,659 5.756,660 5.886,661 6.054,662 8.98,663 0.642,664 520.68,665 3.829,666 5.425,667 6.323,668 7.242,669 8.155,670 9.078,671 9.997,672 10.922,673 11.846,674 12.773,675 5.6,678 1,682 1,685 2,688 9,689 2,691 1,693 11,695 23,703 1,712 1,714 71,716 24,717 3,718 45,720 77,721 32,722 20,723 9,724 9,725 1,730 7,731 10,736 2,737 1,739 1,740 3,743 3,745 21,746 11,750 1,755 1,759 1,764 32,765 7,767 7,773 4,777 0.571,778 3,792 3,793 4,796 2,799 1,815 1,819 4,823 3,827 39,833 7,835 1,838 2,839 1,847 4.2,850 1,852 2,854 18.917,855 14.05,856 8.181,857 4.513,858 4.223,859 1.438,860 1.021,861 5.873,862 13.862,863 4.069,864 4.707,865 5.326,866 5.913,867 6.433,868 6.803,869 7.27,870 7.653,871 7.994,872 8.395,873 0.909,874 70,875 14.493,877 6.405,878 7.545,879 28.406,881 24.819,883 2.045,884 79.75,888 376.675,889 172.198,890 42.631,892 45.879,895 172.198,896 422.554,897 42.631,898 26.047,899 21.637,900 85.286,901 71.252,902 56.485,904 376.675,906 376.675,907 214.829,908 45.879,911 308.377,912 116.506,915 47.432,916 128.686,917 36.382,919 376.675,920 88.51,921 172.198,924 376.675,925 60.865,926 117.582,928 82.261,929 376.675,930 88.51,931 172.198,933 0.603,934 0.365,935 0.197,936 0.107,937 38,938 16,939 0.039,940 3,941 2,942 1.147,943 4.935,944 416.081,945 0.118,946 35,947 196.131,951 24.564,952 9.324,953 4.178,955 88.51,956 18.566,957 8.351,959 5.123,961 10.629,964 637.383,965 57.5,970 13.704,974 0.052,975 70.76,976 79.434,977 0.238,978 0.582,979 0.781,980 0.863,981 0.889,982 0.889,983 5.365,984 2.153,985 6.354,986 6.336,987 4.92,988 5.396,989 1.844,990 7.261,991 4.871,992 6.595,993 1.944,994 7.978,995 6.009,996 4.691,997 5.286,998 0.57,999 8.496,1000 4.632,1001 7.935,1002 1.711,1003 9.707,1004 5.759,1005 6.64,1006 7.599,1007 1.806,1008 11.604,1009 6.554,1010 9.31,1011 1.528,1012 11.504,1013 5.322,1014 7.245,1015 8.291,1016 0.801,1017 13.723,1018 7.153,1019 10.719,1020 1.325,1021 13.348,1022 4.466,1023 8.693,1024 10.093,1025 1.913,1026 16.44,1027 8.582,1028 12.15,1029 1.152,1030 15.227,1031 3.396,1032 9.654,1033 11.142,1034 1.074,1035 18.894,1036 9.536,1037 13.598,1038 1,1039 17.133,1040 3.226,1041 10.938,1042 12.736,1043 2.092,1044 21.534,1045 10.806,1046 3.579,1047 1,1048 19.06,1049 2.683,1050 12.053,1051 13.961,1052 1.404,1053 24.111,1054 11.912,1055 3.168,1056 14.333,1057 21.006,1058 2.372,1059 13.29,1060 15.461,1061 2.32,1062 26.748,1063 13.137,1064 3.059,1065 11.052,1066 22.966,1067 4.242,1068 14.474,1069 16.776,1070 1.768,1071 29.372,1072 14.311,1073 2.829,1074 10.07,1075 24.939,1076 4.145,1077 15.704,1078 18.232,1079 2.581,1080 32.016,1081 15.53,1082 2.673,1083 9.097,1084 26.922,1085 3.859,1086 16.92,1087 19.595,1088 2.15,1089 34.66,1090 16.737,1091 2.386,1092 8.765,1093 28.914,1094 3.676,1095 18.155,1096 21.032,1097 2.867,1098 37.312,1099 17.962,1100 2.257,1101 7.559,1102 30.914,1103 3.48,1104 19.389,1105 22.422,1106 2.538,1107 39.965,1108 19.186,1109 25750,1110 38965,1111 30.63,1112 48.046,1113 70.426,1114 71.178,1115 72.587,1116 69.655,1117 69.688,1118 88.072,1119 6.306,1120 215.91,1121 67.878,1122 5.724,1123 5.832,1124 7.134,1125 5.639,1126 5.579,1127 7.242,1128 2.293,1129 22.236,1130 5.538,1131 17.479,1132 1.565,1133 1.582,1134 1.613,1135 1.548,1136 1.549,1137 1.957,1138 0.14,1139 4.798,1140 1.508,1141 4.118,1142 4.144,1143 4.07,1144 4.038,1145 7.428,1146 4.041,1147 4.023,1148 4.045,1149 3.981,1150 3.962,1151 5.295,1152 3.962,1153 3.88,1154 3.915,1155 3.836,1156 3.765,1157 4.875,1158 3.772,1159 3.802,1160 3.85,1161 3.717,1162 3.67,1163 4.783,1164 3.67,1165 3.682,1166 3.714,1167 3.62,1168 3.467,1169 4.545,1170 3.509,1171 3.51,1172 3.568,1173 3.404,1174 3.312,1175 4.38,1176 3.324,1177 3.219,1178 3.268,1179 3.141,1180 3.061,1181 4.281,1182 3.07,1183 3.174,1184 3.258,1185 2.981,1186 3.019,1187 3.905,1188 3.002,1189 0.105,1190 0.085,1191 0.172,1192 0.101,1193 0.08,1194 4.724,1195 0.094,1196 3.832,1197 0.027,1198 7.72,1199 0.319,1200 4.567,1201 0.079,1202 3.579,1203 4.242,1204 1.2,1205 14.333,1206 3.538,1207 2.013,1208 1.994,1209 2.098,1210 2.075,1211 1.465,1212 2.083,1213 1.942,1214 1.916,1215 2.075,1216 2.046,1217 1.246,1218 2.059,1219 1.807,1220 1.782,1221 1.918,1222 1.92,1223 1.162,1224 1.918,1225 1.754,1226 1.712,1227 1.901,1228 1.876,1229 1.041,1230 1.885,1231 1.486,1232 1.423,1233 1.711,1234 1.701,1235 0.955,1236 1.703,1237 1.436,1238 1.38,1239 1.695,1240 1.688,1241 0.825,1242 1.686,1243 1.317,1244 1.243,1245 1.609,1246 1.572,1247 0.806,1248 1.586,1249 1.257,1250 1.199,1251 1.552,1252 1.482,1253 0.736,1254 1.496,1255 4.511,1257 5.894,1258 3.434,1259 7.469,1260 5.82,1261 9.129,1262 7.934,1263 10.836,1265 6.047,1271 6.659,1273 6.197,1276 4.346,1277 0.075,1280 45.605,1281 103.877,1282 254.022,1283 340.819,1284 376.858,1285 388.367,1286 388.367,1287 59.953,1288 9.639,1289 71.7,1290 71.7,1291 39,1292 13.278,1293 4.644,1294 3.755,1295 50.833,1296 212,1297 224,1298 0.115,1299 270.009,1300 470.73,1301 650.581,1302 265341,1304 26.725,1305 0.685,1306 0.581,1307 26.725,1308 22.659,1309 18.899,1310 0.42,1311 0.305,1312 13.562,1313 18.246,1314 13.136,1315 10.817,1316 18.899,1317 13.726,1318 18.013,1319 0.265,1320 0.166,1321 18.013,1322 11.3,1323 16.316,1324 0.168,1325 0.091,1326 16.316,1327 8.796,1328 13.938,1329 0.105,1330 0.048,1331 13.938,1332 6.405,1333 11.475,1334 0.066,1335 0.027,1336 11.475,1337 4.718,1338 0.186,1339 117.882,1340 0.181,1341 35.506,1342 0.303,1343 226,1344 577.787,1345 243.737,1346 559.616,1347 791.45,1348 528,1349 278,1350 613.213,1351 297.708,1352 620.47,1353 918.36,1354 584,1355 6.3} {0 CHEMBL281575,1 1.376,2 24.833,3 7.143,4 51.017,5 196.881,6 6.49,7 0.377,8 4.668,9 4.812,10 4.108,11 4.217,12 5.638,13 4.162,14 5.248,15 5.442,16 4.453,17 4.659,18 6.181,19 4.562,20 5.583,21 5.839,22 4.5,23 4.817,24 6.412,25 4.679,26 5.634,27 5.9,28 4.434,29 4.822,30 6.436,31 4.663,32 5.646,33 5.934,34 4.361,35 4.782,36 6.361,37 4.605,38 5.599,39 5.885,40 4.336,41 4.72,42 6.375,43 4.546,44 5.554,45 5.844,46 4.193,47 4.643,48 6.306,49 4.456,50 5.497,51 5.792,52 4.095,53 4.555,54 6.244,55 4.366,56 0.131,57 1.463,58 23.781,59 9.552,60 15.714,61 13.757,62 0.329,63 2.406,64 42.903,65 17.173,66 48.156,67 24.891,68 0.437,69 3.041,70 60.769,71 22.824,72 64.646,73 33.686,74 0.479,75 3.131,76 64.049,77 23.791,78 67.298,79 35.285,80 0.446,81 3.065,82 64.713,83 24.324,84 54.813,85 36.199,86 0.572,87 2.936,88 62.049,89 22.841,90 66.134,91 34.11,92 0.523,93 2.762,94 59.506,95 21.429,96 64.61,97 32.028,98 0.489,99 2.559,100 56.447,101 19.785,102 60.292,103 29.758,104 21,105 72,106 0.2,107 0.501,108 0.66,109 0.733,110 0.755,111 0.766,112 3.894,113 1.026,114 -4.86,115 -4.76,116 -4.47,119 40,121 14,125 2,127 2,134 2,135 2,140 6,141 6,149 2,150 2,156 2,161 2,162 2,163 2,169 27,172 2,173 2,174 2,176 14,178 30,180 2,182 4,186 16,189 27,191 4,193 4,197 14,199 22,201 4,203 2,208 10,211 25,213 2,215 2,218 2,219 2,220 6,221 2,222 24,224 2,226 4,230 2,231 8,233 17,235 4,237 4,242 10,244 14,246 4,254 6,256 16,259 6136,260 32.965,261 32.965,262 32.965,263 32.965,264 32.965,265 29.975,266 26.788,267 19.892,268 33.165,269 26.203,270 26.203,271 26.203,272 26.203,273 26.203,274 21.559,275 31.703,276 9.525,277 26.522,278 5.268,279 3.189,280 2.095,281 1.59,282 1.44,283 1.36,284 4.607,290 2634,291 4.899,294 291.605,295 735.681,298 534.084,302 3.847,303 34.793,306 0.5,307 0.33,308 0.5,309 0.8,310 1,311 0.33,313 0.5,314 101,315 1192,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.618,326 3.509,327 6.724,328 4.172,329 3.181,330 4.552,331 0.98,332 10.962,333 3.154,334 4.056,335 3.201,336 5.943,337 3.719,338 2.715,339 3.498,340 0.4,341 8.308,342 2.724,343 4.056,344 3.201,345 5.943,346 3.719,347 2.715,348 3.498,349 0.4,350 8.308,351 2.724,352 3.822,353 2.778,354 5.687,355 3.516,356 2.531,357 3.182,359 7.524,360 2.487,361 3.822,362 2.778,363 5.687,364 3.516,365 2.53,366 3.182,368 7.524,369 2.487,370 3.41,371 2.434,372 5.308,373 3.21,374 2.233,375 2.506,377 6.787,378 2.178,379 3.41,380 2.434,381 5.308,382 3.21,383 2.233,384 2.506,386 6.787,387 2.176,388 3.015,389 1.945,390 4.586,391 2.923,392 1.925,393 2.161,395 4.461,396 1.922,397 3.01,398 1.909,399 4.586,400 2.726,401 1.734,402 2.16,404 4.461,405 1.72,406 2.918,407 1.896,408 4.048,409 2.542,410 1.557,411 1.973,413 3.865,414 1.532,415 2.887,416 1.78,417 4.047,418 2.505,419 1.516,420 1.969,422 3.508,423 1.499,424 2.882,425 1.658,426 3.934,427 2.389,428 1.402,429 1.914,431 3.364,432 1.38,433 2.715,434 1.595,435 3.768,436 2.358,437 1.361,438 1.717,440 3.325,441 1.346,442 2.57,443 1.475,444 3.749,445 2.347,446 1.346,447 1.557,449 2.905,450 1.337,451 23.067,452 0.481,453 0.972,454 0.02,455 51.5,456 1.073,457 22,458 0.458,459 29.5,460 0.615,461 56.586,462 1.179,463 53.133,464 0.531,465 38.949,466 0.811,467 9.136,468 0.19,469 14.322,470 0.298,471 0.064,473 0.303,479 0.9,480 1.176,481 0.964,482 1.043,483 0.709,484 1.005,485 0.653,486 1.201,487 1.002,488 1.154,489 0.419,490 1.116,491 0.862,492 1.038,493 0.957,494 1.011,495 0.675,496 0.995,497 0.879,498 1.053,499 1.031,500 1.063,501 0.765,502 1.06,503 0.667,504 0.997,505 0.907,506 1.001,507 0.578,508 0.981,509 0.601,510 1.013,511 0.919,512 1.035,513 0.498,514 1.01,515 0.863,516 0.996,517 1.01,518 1.035,519 0.799,520 1.036,521 1.03,522 0.997,523 1.011,524 1,525 1.048,526 1.003,527 7.5,528 0.172,529 5.111,530 2.139,531 1.921,532 1.41,533 0.999,534 0.516,535 0.317,536 0.274,537 66579,538 143983,539 2.125,540 52,541 16,542 14,543 2,545 8,547 12,550 1.828,551 2.028,552 4.515,553 4.263,559 137.576,560 1.376,561 3.455,562 4.549,563 5.054,564 5.204,565 5.284,566 3.887,567 4.335,568 5.564,569 4.798,570 5412.2,571 9.786,572 135248,577 664.386,578 1.241,579 5.534,580 0.142,581 0.005,582 0.071,583 0.029,584 0.029,585 0.023,586 0.017,587 0.011,588 0.007,589 0.007,590 0.341,592 0.5,593 0.606,594 304.376,595 -0.084,596 0.094,597 0.031,598 0.097,599 -0.043,600 0.082,601 0.088,602 -0.054,603 -0.025,604 -0.055,605 0.174,606 -0.052,607 -0.03,608 -0.018,609 0.02,610 0.013,611 0.06,612 0.02,613 -0.053,614 -0.049,615 -0.055,616 -0.053,617 -0.01,618 -0.053,619 0.029,620 -0.044,621 0.053,622 -0.002,623 0.03,624 0.024,625 0.159,626 -0.048,627 0.05,628 -0.046,629 0.138,630 -0.015,631 0.007,632 -0.04,633 -0.033,634 -0.059,635 0.002,636 -0.052,637 -0.052,638 -0.058,639 -0.026,640 -0.036,641 -0.065,642 -0.03,643 2.05,644 4.64,645 0.625,646 88.153,647 0.986,648 1.13,649 3.626,650 13.146,651 0.645,652 3.989,653 4.29,654 4.564,655 4.812,656 5.05,657 5.187,658 5.318,659 5.398,660 5.447,661 5.501,662 14.811,663 0.597,664 648.98,665 3.989,666 5.525,667 6.372,668 7.238,669 8.106,670 8.983,671 9.862,672 10.747,673 11.634,674 12.524,675 6,677 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,701 2,714 100,716 24,717 2,718 53,720 105,721 40,722 16,723 6,724 6,725 6,730 6,731 8,740 8,743 16,745 22,746 18,750 4,755 2,757 2,759 4,764 52,765 6,766 8,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,810 2,811 2,814 2,819 4,827 48,828 2,833 16,834 2,837 2,847 2,850 2,854 23.667,855 17,856 10.639,857 6.681,858 4.758,859 1.505,860 1.005,861 12.005,862 14.182,863 4.22,864 4.783,865 5.381,866 5.982,867 6.519,868 6.953,869 7.36,870 7.683,871 7.804,872 8.036,873 0.938,874 73,875 17.854,877 7.607,878 7.556,879 35.448,881 30.317,883 2.056,884 98.667,888 517.928,889 171.557,890 135.387,892 50.29,895 171.557,896 568.218,897 135.387,899 105.489,900 129.926,901 59.699,902 57.83,903 27.83,904 494.386,906 517.928,907 306.944,908 50.29,911 376.675,912 191.543,915 175.082,916 112.909,917 18.952,919 517.928,920 185.677,921 171.557,924 517.928,925 77.652,926 93.905,927 69.593,928 116.084,929 517.928,930 185.677,931 171.557,933 0.574,934 0.329,935 0.172,936 0.095,937 32,938 14,939 0.162,940 17,941 2,942 1.133,943 6.12,944 462.331,945 0.133,946 30,947 220.078,951 34.385,952 16.758,953 8.962,954 4.254,955 152.106,956 15.399,958 6.679,961 3.514,963 135.387,964 875.162,965 67,970 23.279,972 4.739,974 1.959,975 98.588,976 112.958,977 0.207,978 0.52,979 0.685,980 0.761,981 0.783,982 0.795,983 5.46,984 2.233,985 6.333,986 6.787,987 4.977,988 5.472,989 1.701,990 7.12,991 4.954,992 6.641,993 1.925,994 7.874,995 6.787,996 4.443,997 5.278,999 7.995,1000 4.426,1001 7.939,1002 1.734,1003 9.52,1004 4.461,1005 6.541,1006 7.672,1007 1.566,1008 11.103,1009 6.501,1010 9.278,1011 1.557,1012 11.23,1013 4.461,1014 6.889,1015 8.414,1017 12.865,1018 6.853,1019 10.658,1020 1.516,1021 12.983,1022 3.865,1023 8.404,1024 10.258,1025 1.516,1026 15.48,1027 8.352,1028 12.065,1029 1.402,1030 14.766,1031 3.508,1032 9.164,1033 11.424,1035 17.601,1036 9.113,1037 13.495,1038 1.361,1039 16.571,1040 3.364,1041 10.445,1042 13.061,1043 1.482,1044 20.061,1045 10.381,1046 3.181,1047 1.346,1048 18.392,1049 3.325,1050 11.404,1051 14.419,1053 22.336,1054 11.338,1055 3.181,1056 10.962,1057 20.226,1058 2.905,1059 12.591,1060 15.976,1061 1.45,1062 24.746,1063 12.515,1064 2.715,1065 10.962,1066 22.07,1067 4.552,1068 13.646,1069 17.42,1071 27.087,1072 13.564,1073 2.715,1074 8.308,1075 23.922,1076 4.552,1077 14.799,1078 18.948,1079 1.419,1080 29.482,1081 14.708,1082 2.531,1083 8.308,1084 25.782,1085 3.498,1086 15.9,1087 20.43,1089 31.852,1090 15.802,1091 2.53,1092 7.524,1093 27.647,1094 3.498,1095 17.044,1096 21.948,1097 1.388,1098 34.245,1099 16.937,1100 2.233,1101 7.524,1102 29.518,1103 3.182,1104 18.168,1105 23.448,1107 36.628,1108 18.053,1109 60974,1110 90064,1111 36.175,1112 64.455,1113 79.227,1114 80.293,1115 80.22,1116 78.545,1117 78.596,1118 98.928,1119 5.519,1120 219.442,1121 77.673,1122 5.606,1123 5.509,1124 6.669,1125 5.201,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 21.63,1132 1.495,1133 1.515,1134 1.514,1135 1.482,1136 1.483,1137 1.867,1138 0.104,1139 4.14,1140 1.466,1141 4.174,1142 4.206,1143 4.132,1144 4.097,1145 7.439,1146 4.102,1147 4.128,1148 4.157,1149 4.091,1150 4.054,1151 7.435,1152 4.059,1153 3.877,1154 3.936,1155 3.761,1156 3.762,1157 4.999,1158 3.754,1159 3.847,1160 3.902,1161 3.741,1162 3.741,1163 4.963,1164 3.735,1165 3.776,1166 3.834,1167 3.628,1168 3.67,1169 4.863,1170 3.651,1171 3.647,1172 3.712,1173 3.518,1174 3.514,1175 4.863,1176 3.499,1177 3.562,1178 3.608,1179 3.494,1180 3.391,1181 4.464,1182 3.406,1183 3.54,1184 3.586,1185 3.442,1186 3.366,1187 4.441,1188 3.381,1189 0.087,1190 0.066,1191 0.127,1192 0.079,1193 0.06,1194 4.618,1195 0.086,1196 3.509,1197 0.018,1198 6.724,1199 0.207,1200 4.172,1201 0.06,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.978,1208 1.958,1209 2.098,1210 2.062,1211 1.44,1212 2.074,1213 1.978,1214 1.958,1215 2.092,1216 2.06,1217 1.417,1218 2.071,1219 1.868,1220 1.824,1221 2.054,1222 2.009,1223 1.397,1224 2.018,1225 1.863,1226 1.821,1227 2.002,1228 2.001,1229 1.277,1230 2.004,1231 1.803,1232 1.745,1233 1.993,1234 1.95,1235 1.161,1236 1.977,1237 1.673,1238 1.607,1239 1.926,1240 1.844,1241 1.157,1242 1.875,1243 1.515,1244 1.451,1245 1.759,1246 1.722,1247 1.064,1248 1.731,1249 1.463,1250 1.404,1251 1.634,1252 1.68,1253 0.841,1254 1.669,1255 4.673,1257 5.979,1258 3.045,1259 7.471,1260 5.416,1261 9.054,1262 7.535,1263 10.691,1269 11.006,1271 19.165,1272 7.564,1275 1.107,1280 59.674,1281 137.576,1282 345.464,1283 454.928,1284 505.366,1285 520.386,1286 528.386,1287 95.83,1288 9.423,1289 141.82,1290 141.82,1291 34,1292 13.054,1293 4.644,1294 3.907,1295 76.868,1296 448,1297 309,1298 0.079,1299 363.733,1300 634.7,1301 879.269,1302 300455,1304 33.296,1305 0.694,1306 0.588,1307 33.296,1308 28.213,1309 23.458,1310 0.443,1311 0.342,1312 18.009,1313 22.961,1314 17.671,1315 14.648,1316 23.458,1317 18.135,1318 20.639,1319 0.287,1320 0.192,1321 20.639,1322 13.792,1323 17.373,1324 0.183,1325 0.11,1326 17.373,1327 10.416,1328 14.083,1329 0.115,1330 0.062,1331 14.083,1332 7.531,1333 11.421,1334 0.074,1335 0.035,1336 11.421,1337 5.46,1338 0.137,1339 144.294,1340 0.166,1341 44.17,1342 0.186,1343 250,1344 553.427,1345 263.365,1346 552.267,1347 766.44,1348 518,1349 292,1350 569.723,1351 304.315,1352 583.787,1353 853.84,1354 554,1355 8.58} {0 CHEMBL28178,1 1.686,2 7.913,3 3.766,4 14.185,5 82,6 8.43,7 0.577,8 3.79,9 3.912,10 3.456,11 3.287,12 4.911,13 3.311,14 4.386,15 4.559,16 3.941,17 3.701,18 6.01,19 3.719,20 4.585,21 4.806,22 3.906,23 3.837,24 5.713,25 3.812,26 4.623,27 4.849,28 3.874,29 3.803,30 5.823,31 3.787,32 4.537,33 4.761,34 3.781,35 3.749,36 5.773,37 3.711,38 4.461,39 4.677,40 3.626,41 3.699,42 5.538,43 3.614,44 4.446,45 4.7,46 3.533,47 3.518,48 5.613,49 3.438,50 4.273,51 4.528,52 3.378,53 3.157,54 5.636,55 3.153,56 0.136,57 0.829,58 6.192,59 3.299,60 20.233,61 3.831,62 0.852,63 1.639,64 14.792,65 5.445,66 129.076,67 6.54,68 0.507,69 1.47,70 19.66,71 7.188,72 31.862,73 9.427,74 0.668,75 1.536,76 21.84,77 7.366,78 75.356,79 9.02,80 0.685,81 1.383,82 19.46,83 6.638,84 66.541,85 8.496,86 0.494,87 1.243,88 16.899,89 7.05,90 24.009,91 9.338,92 0.552,93 1.225,94 19.552,95 7.062,96 36.494,97 9.545,98 0.509,99 1.208,100 17.55,101 6.018,102 63.924,103 6.843,104 11,105 39,106 0.301,107 0.628,108 0.719,109 0.811,110 0.821,111 0.821,112 3.19,113 0.863,114 -3.92,115 -3.88,116 -3.68,119 42.1,125 4,131 1,140 5,141 1,144 1,145 1,149 1,150 2,169 4,171 1,172 4,178 2,181 2,182 6,184 1,189 1,193 5,199 2,203 2,206 1,211 4,215 1,218 1,220 1,222 2,231 2,242 2,254 1,259 596,260 15.403,261 15.403,262 15.403,263 15.403,264 15.403,265 13.811,266 16.37,267 8.883,268 15.984,269 12.871,270 12.871,271 12.871,272 12.871,273 12.871,274 10.347,275 22.475,276 4.225,277 13.916,278 3.562,279 1.734,280 1.22,281 0.704,282 0.651,283 0.651,284 3.886,287 1,288 1,289 1,290 399,291 3.082,294 37.921,295 145.051,298 66.424,299 74.53,302 1.149,303 34.699,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 52.5,315 182,316 4.754,317 4.461,318 7.124,319 4.27,320 3.36,321 4.815,322 3.825,323 11.811,324 3.119,325 4.419,326 3.352,327 6.897,328 4.117,329 3.229,330 3.897,331 0.8,332 11.503,333 2.842,334 3.98,335 2.893,336 6.228,337 3.624,338 2.692,339 3.395,340 0.4,341 9.201,342 2.49,343 3.743,344 2.45,345 5.667,346 3.304,347 2.361,348 3.158,350 7.477,351 2.209,352 3.139,353 2.034,354 4.902,355 2.822,356 1.884,357 2.268,359 5.334,360 1.764,361 2.958,362 1.851,363 4.572,364 2.504,365 1.58,366 2.102,368 4.598,369 1.419,370 2.776,371 1.605,372 4.023,373 2.372,374 1.415,375 1.876,377 3.36,378 1.353,379 2.399,380 1.245,381 3.74,382 2.105,383 1.155,384 1.378,386 2.749,387 1.094,388 2.342,389 1.146,390 3.459,391 1.967,392 1,393 1.277,395 2.174,396 0.965,397 2.012,398 0.903,399 3.36,400 1.839,401 0.871,402 1,404 2.136,405 0.839,406 2,407 0.662,408 3.247,409 1.557,410 0.609,411 0.844,413 1.666,414 0.576,415 1.175,416 0.51,417 2.905,418 0.722,419 -0.226,420 -0.299,422 -0.623,423 -0.214,424 0.901,425 0.51,426 2.764,427 0.432,428 -0.53,429 -0.702,431 -1.47,432 -0.507,433 0.451,434 -0.114,435 2.382,436 0.157,437 -0.814,438 -0.962,440 -1.978,441 -0.7,442 0.325,443 -0.358,444 2.204,445 -0.072,446 -1,447 -1,449 -2.347,450 -0.7,451 10.457,452 0.455,453 0.72,454 0.031,455 28.75,456 1.25,457 12.5,458 0.543,459 16.25,460 0.707,461 17.657,462 0.768,463 25.543,464 0.672,465 21.843,466 0.95,467 5.789,468 0.252,469 5.249,470 0.228,471 0.082,472 0.048,473 0.316,476 3,479 0.592,480 1.105,481 0.62,482 1.1,483 0.55,484 0.935,485 0.498,486 0.782,487 0.724,488 0.887,489 0.312,490 0.879,491 0.569,492 0.788,493 0.759,494 0.904,495 0.404,496 0.899,497 0.977,498 1.001,499 0.968,500 0.942,501 0.88,502 0.936,503 0.735,504 0.711,505 0.983,506 0.879,507 0.667,508 0.981,509 0.421,510 0.763,511 0.954,512 1.246,513 0.476,514 1.319,515 0.564,516 0.915,517 0.803,518 1.189,519 0.65,520 1.146,521 1.326,522 1.508,523 0.967,524 1.311,525 1.397,526 1.098,527 5,528 0.037,529 3.111,530 1.493,531 1.515,532 0.903,533 0.545,534 0.484,535 0.246,536 0.074,537 5167,538 16933,539 2.13,540 39.5,542 13,543 1,545 1,550 1.664,551 1.986,552 2.987,553 -0.241,555 1,557 1,559 64.063,560 1.686,561 3.514,562 4.028,563 4.544,564 4.596,565 4.596,566 2.442,567 4.143,568 4.496,569 3.122,570 789.772,571 7.774,572 8575.06,573 1,574 1,575 1,576 1,577 199.421,578 1.592,579 4.445,580 0.192,581 0.012,582 0.08,583 0.038,584 0.041,585 0.027,586 0.02,587 0.021,588 0.014,589 0.009,590 0.455,591 0.67,592 1,593 0.777,594 104.516,595 -0.05,596 -0.177,597 0.041,598 -0.086,599 -0.075,600 -0.011,601 0.331,602 0.21,603 0.095,604 0.066,605 0.456,606 0.016,607 0.006,608 -0.039,609 0.096,610 0.029,611 0.074,612 0.082,613 -0.144,614 -0.104,615 -0.042,616 0.012,617 -0.078,618 0.032,619 0.01,620 0.14,621 -0.09,622 0.059,623 0.014,624 -0.022,625 0.153,626 0.007,627 -0.104,628 -0.258,629 0.034,630 -0.296,631 0.186,632 -0.13,633 0.186,634 -0.199,635 0.083,636 -0.079,637 -0.079,638 -0.448,639 0.164,640 -0.297,641 -0.053,642 -0.066,643 5.614,644 4.972,645 0.826,646 15.909,647 1.03,648 1.156,649 2.694,650 7.259,651 0.662,652 3.296,653 3.689,654 3.989,655 4.304,656 4.595,657 4.779,658 5.011,659 5.147,660 5.231,661 5.209,662 4.93,663 0.656,664 320.35,665 3.296,666 4.875,667 5.753,668 6.671,669 7.572,670 8.495,671 9.406,672 10.331,673 11.248,674 12.175,675 10.5,677 1,681 1,683 1,685 1,687 3,688 6,689 1,693 2,695 15,709 1,714 38,716 15,717 1,718 26,720 41,721 16,722 11,723 3,724 3,730 4,731 7,736 1,742 1,745 11,746 5,761 1,762 3,764 15,765 6,766 1,767 7,773 4,777 0.5,783 1,788 1,792 1,793 3,796 1,797 1,814 1,819 2,825 3,827 23,833 4,834 1,838 1,839 1,846 3,854 11.583,855 6.779,856 4.806,857 2.311,858 3.191,859 1.427,860 1.057,861 3.38,862 10.658,863 3.541,864 4.223,865 4.916,866 5.622,867 6.264,868 6.797,869 7.34,870 7.809,871 8.164,872 8.368,873 1,874 39,875 8.936,877 4.339,878 8.156,879 15.961,881 13.639,883 2.656,884 61.083,888 164.795,889 84.557,890 39.207,893 44.88,895 84.557,896 164.795,897 84.087,899 8.423,900 74.439,901 16.786,902 54.621,903 18.387,904 153.024,905 7.76,906 164.795,907 123.764,908 44.88,911 164.795,912 44.88,915 37.624,916 69.355,917 16.786,919 209.676,920 39.207,921 84.557,924 172.555,925 20.369,926 60.839,927 18.011,928 61.666,929 164.795,930 84.087,931 84.557,933 0.599,934 0.345,935 0.187,936 0.106,937 22,938 9,939 0.024,940 1,941 2,942 1.211,943 3.417,944 200.819,945 0.211,946 19,947 95.287,951 14.644,952 5.309,953 2.511,954 1.952,955 82.801,956 9.41,957 4.551,961 0.068,963 18.011,964 333.44,965 33.5,975 39.131,976 43.919,977 0.321,978 0.67,979 0.768,980 0.866,981 0.876,982 0.876,983 4.818,984 1.155,985 5.796,986 3.36,987 4.369,988 4.909,989 3.097,990 6.703,991 4.221,992 6.068,993 1,994 7.42,995 2.749,996 4.205,997 4.934,998 3.911,999 7.947,1000 3.865,1001 7.422,1002 0.871,1003 9.158,1004 2.174,1005 6.103,1006 7.262,1007 5.423,1008 11.01,1009 5.782,1010 8.819,1011 0.609,1012 10.963,1013 2.136,1014 6.746,1015 8.137,1016 6.69,1017 13.02,1018 6.242,1019 10.25,1020 -0.226,1021 12.81,1022 1.666,1023 8.176,1024 9.974,1025 8.058,1026 15.666,1027 7.658,1028 11.705,1029 -0.53,1030 14.683,1031 -0.623,1032 9.145,1033 11.225,1034 9.389,1035 17.947,1036 8.476,1037 13.179,1038 -0.814,1039 16.574,1040 -1.47,1041 10.414,1042 12.881,1043 10.734,1044 20.464,1045 9.699,1046 3.36,1047 -1,1048 18.477,1049 -1.978,1050 11.515,1051 14.304,1052 12.074,1053 22.849,1054 10.679,1055 3.229,1056 11.811,1057 20.39,1058 -2.347,1059 12.729,1060 15.895,1061 13.416,1062 25.324,1063 11.828,1064 2.692,1065 11.503,1066 22.309,1067 4.815,1068 13.884,1069 17.396,1070 14.758,1071 27.75,1072 12.881,1073 2.361,1074 9.201,1075 24.234,1076 3.897,1077 15.082,1078 18.967,1079 16.1,1080 30.211,1081 14.004,1082 1.884,1083 7.477,1084 26.164,1085 3.395,1086 16.26,1087 20.504,1088 17.441,1089 32.655,1090 15.091,1091 1.58,1092 5.334,1093 28.096,1094 3.158,1095 17.454,1096 22.069,1097 18.783,1098 35.113,1099 16.208,1100 1.415,1101 4.598,1102 30.032,1103 2.268,1104 18.642,1105 23.623,1106 20.124,1107 37.564,1108 17.313,1109 4945,1110 9134,1111 17.394,1112 25.165,1113 40.696,1114 40.03,1115 40.439,1116 40.571,1117 40.314,1118 52.022,1119 10.051,1120 124.02,1121 37.339,1122 5.754,1123 6.461,1124 6.926,1125 5.342,1126 5.36,1127 7.815,1128 5.335,1129 19.447,1130 5.119,1131 10.204,1132 1.565,1133 1.54,1134 1.555,1135 1.56,1136 1.551,1137 2.001,1138 0.387,1139 4.77,1140 1.436,1141 4.21,1142 4.251,1143 4.186,1144 4.085,1145 8.513,1146 4.105,1147 3.799,1148 3.862,1149 3.75,1150 3.683,1151 7.999,1152 3.689,1153 3.74,1154 3.79,1155 3.634,1156 3.551,1157 7.999,1158 3.56,1159 3.313,1160 3.36,1161 3.317,1162 3.06,1163 5.069,1164 3.102,1165 3.159,1166 3.23,1167 3.09,1168 2.943,1169 4.532,1170 2.971,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 4.42,1176 2.91,1177 2.86,1178 2.954,1179 2.715,1180 2.666,1181 4.188,1182 2.666,1183 2.69,1184 2.762,1185 2.613,1186 2.381,1187 3.635,1188 2.44,1189 0.183,1190 0.172,1191 0.274,1192 0.164,1193 0.129,1194 4.754,1195 0.185,1196 4.461,1197 0.147,1198 7.124,1199 0.454,1200 4.27,1201 0.12,1202 3.36,1203 4.815,1204 3.825,1205 11.811,1206 3.119,1207 2.052,1208 2.021,1209 2.104,1210 2.19,1211 1.294,1212 2.166,1213 1.748,1214 1.683,1215 1.95,1216 1.965,1217 1.2,1218 1.966,1219 1.532,1220 1.489,1221 1.681,1222 1.705,1223 0.825,1224 1.671,1225 1.462,1226 1.415,1227 1.576,1228 1.62,1229 0.791,1230 1.63,1231 1.153,1232 1.064,1233 1.513,1234 1.376,1235 0.674,1236 1.429,1237 0.997,1238 0.939,1239 1.206,1240 1.298,1241 0.345,1242 1.247,1243 0.907,1244 0.866,1245 1.136,1246 1.213,1247 0.213,1248 1.162,1249 0.801,1250 0.691,1251 0.972,1252 1.092,1253 0.05,1254 1.109,1255 3.97,1257 5.342,1258 2.398,1259 6.915,1260 4.595,1261 8.579,1262 6.629,1263 10.295,1267 38.915,1271 3.265,1272 3.268,1276 2.117,1277 -4.364,1280 24.923,1281 64.063,1282 133.547,1283 153.057,1284 172.666,1285 174.666,1286 174.666,1287 37.99,1288 7.467,1289 32.57,1290 32.57,1291 23,1292 12.681,1293 4,1294 3.087,1295 31.621,1296 70,1297 63,1298 0.237,1299 147.882,1300 249.59,1301 352.591,1302 15807,1303 7.9,1304 16.027,1305 0.697,1306 0.533,1307 13.527,1308 12.268,1309 11.038,1310 0.425,1311 0.288,1312 7.309,1313 10.415,1314 7.256,1315 5.9,1316 9.826,1317 7.476,1318 10.856,1319 0.278,1320 0.145,1321 8.898,1322 5.637,1323 8.821,1324 0.166,1325 0.079,1326 7.858,1327 4.183,1328 7.618,1329 0.104,1330 0.042,1331 7.066,1332 3.047,1333 6.387,1334 0.065,1335 0.022,1336 5.915,1337 2.131,1338 0.354,1339 70.498,1340 0.24,1341 21.862,1342 0.705,1343 130,1344 531.602,1345 155.676,1346 433.668,1347 576.67,1348 404,1349 157,1350 416.634,1351 177.94,1352 400.464,1353 616.01,1354 378,1355 6.721} {0 CHEMBL282199,1 1.539,2 10.125,3 3.064,4 9.387,5 96.886,6 6.78,7 0.231,8 4.025,9 4.144,10 3.675,11 3.561,12 4.904,13 3.484,14 4.658,15 4.852,16 3.985,17 3.999,18 5.713,19 3.892,20 4.99,21 5.229,22 4.047,23 4.197,24 5.86,25 4.026,26 5.097,27 5.357,28 3.97,29 4.143,30 6.042,31 3.974,32 5.002,33 5.269,34 3.794,35 3.997,36 6.096,37 3.848,38 4.821,39 5.076,40 3.686,41 3.964,42 5.679,43 3.803,44 4.85,45 5.109,46 3.664,47 3.986,48 5.626,49 3.79,50 4.869,51 5.154,52 3.422,53 3.829,54 5.739,55 3.621,56 0.098,57 0.767,58 16.115,59 5.523,60 14.353,61 7.391,62 0.359,63 1.286,64 26.744,65 9.315,66 50.761,67 12.861,68 0.294,69 1.629,70 41.5,71 13.646,72 43.867,73 17.912,74 0.514,75 1.609,76 47.345,77 14.186,78 74.209,79 18.61,80 0.789,81 1.413,82 40.421,83 11.426,84 127.416,85 16.126,86 0.442,87 1.3,88 30.623,89 10.169,90 50.808,91 14.531,92 0.235,93 1.325,94 34.158,95 11.823,96 32.308,97 15.911,98 0.448,99 1.191,100 35.402,101 10.785,102 66.638,103 14.646,104 17,105 37,106 0.262,107 0.506,108 0.703,109 0.813,110 0.849,111 0.849,112 3.228,113 1.204,114 -3.34,115 -3.32,116 -3.18,119 34.6,120 1,121 5,122 1,125 4,127 1,140 4,142 2,169 6,171 3,172 6,176 2,178 7,182 7,186 1,189 2,192 1,193 11,197 1,199 2,203 4,206 3,211 7,214 2,215 2,222 6,226 3,231 3,233 6,237 6,244 2,249 3,252 1,256 5,259 838,260 15.841,261 15.841,262 15.841,263 15.841,264 15.841,265 14.825,266 21.005,267 9.264,268 16.201,269 12.813,270 12.813,271 12.813,272 12.813,273 12.813,274 11.229,275 28.756,276 4.386,277 13.425,278 4.162,279 2.724,280 1.567,281 0.919,282 0.707,283 0.707,284 3.903,287 1,288 1,289 1,290 516,291 3.317,294 71.268,295 160.43,302 1.479,303 32.297,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 52,315 243,316 4.949,317 4.731,318 7.725,319 4.478,320 3.552,321 4.767,322 0.8,323 13.917,324 3.266,325 3.894,326 2.977,327 6.065,328 3.628,329 2.676,330 3.421,331 0.4,332 8.405,333 2.544,334 3.654,335 2.835,336 5.416,337 3.534,338 2.576,339 2.69,341 7.146,342 2.472,343 3.537,344 2.58,345 5.2,346 3.283,347 2.318,348 2.569,350 6.381,351 2.231,352 3.093,353 2.198,354 4.891,355 3.039,356 2.083,357 2.163,359 5.685,360 1.979,361 2.979,362 1.718,363 4.72,364 2.533,365 1.562,366 2.073,368 4.496,369 1.508,370 2.615,371 1.4,372 3.949,373 2.278,374 1.298,375 1.661,377 3.122,378 1.27,379 2.322,380 1.212,381 3.495,382 2.124,383 1.132,384 1.312,386 2.54,387 1.121,388 2,389 1.077,390 3.436,391 1.984,392 1,393 1,395 2.275,396 0.983,397 1.931,398 0.902,399 3.414,400 1.754,401 0.787,402 0.868,404 2.049,405 0.759,406 1.583,407 0.705,408 3.104,409 1.557,410 0.583,411 0.583,413 1.36,414 0.566,415 1,416 0.072,417 2.798,418 0.813,419 -0.173,420 -0.174,422 -0.38,423 -0.171,424 0.943,425 -0.058,426 2.484,427 0.527,428 -0.403,429 -0.509,431 -0.895,432 -0.368,433 0.831,434 -0.123,435 2.268,436 0.186,437 -0.771,438 -0.83,440 -2.08,441 -0.715,442 0.677,443 -0.72,444 2,445 0.158,446 -0.822,447 -1,449 -2.181,450 -0.803,451 11.633,452 0.485,453 0.708,454 0.029,455 24.5,456 1.021,457 9.5,458 0.396,459 15,460 0.625,461 24.921,462 1.038,463 28.567,464 0.549,465 16.694,466 0.696,467 3.954,468 0.165,469 7.51,470 0.313,471 0.129,472 0.072,473 0.241,479 0.614,480 1.562,481 0.93,482 1.388,483 0.705,484 1.16,485 0.665,486 1.184,487 0.886,488 1.008,489 0.463,490 1.052,491 0.877,492 1.162,493 1.19,494 1.209,495 0.676,496 1.097,497 1.189,498 1.042,499 1.171,500 1.14,501 1.301,502 0.99,503 1.22,504 0.864,505 0.983,506 0.844,507 1.325,508 0.846,509 0.955,510 0.908,511 0.882,512 0.838,513 0.962,514 1.005,515 0.726,516 1.161,517 1.074,518 1.201,519 0.635,520 1.147,521 1.263,522 0.905,523 1.071,524 0.945,525 1.309,526 0.948,527 6,528 0.082,529 3.556,530 1.875,531 1.512,532 0.636,533 0.416,534 0.377,535 0.182,536 0.156,537 6227,538 13570,539 2.03,540 53.8,541 4,542 13,545 1,547 8,548 2,550 1.669,551 1.882,552 3.302,553 -0.301,554 1,555 1,559 80.003,560 1.539,561 2.976,562 4.133,563 4.782,564 4.994,565 4.994,566 2.757,567 4.335,568 4.555,569 3.449,570 951.908,571 7.863,572 11125.7,574 1,576 1,577 296.423,578 1.601,579 4.498,580 0.231,581 0.006,582 0.096,583 0.052,584 0.046,585 0.021,586 0.015,587 0.015,588 0.01,589 0.01,590 0.502,591 0.33,592 1,593 0.622,594 113.989,595 0.1,596 -0.211,597 0.234,598 -0.069,599 -0.108,600 0.018,601 0.19,602 0.018,603 0.081,604 0.039,605 0.236,606 -0.01,607 -0.046,608 -0.066,609 -0.036,610 -0.078,611 0.052,612 -0.068,613 -0.048,614 -0.067,615 -0.027,616 -0.085,617 -0.049,618 -0.016,619 0.071,620 0.059,621 0.005,622 0.068,623 0.091,624 0.08,625 -0.039,626 0.103,627 -0.049,628 0.049,629 -0.081,630 -0.038,631 -0.006,632 -0.161,633 -0.075,634 -0.157,635 0.002,636 -0.126,637 -0.133,638 -0.023,639 -0.075,640 -0.006,641 -0.117,642 -0.008,643 4.434,644 5.892,645 0.708,646 20.069,647 0.995,648 1.134,649 2.107,650 4.44,651 0.633,652 3.296,653 3.638,654 3.871,655 4.078,656 4.22,657 4.159,658 4.205,659 4.22,660 4.277,661 4.317,662 5.918,663 0.581,664 352.55,665 3.296,666 4.844,667 5.687,668 6.569,669 7.434,670 8.32,671 9.196,672 10.085,673 10.967,674 11.858,675 3.8,678 2,688 4,693 2,695 6,711 1,714 52,716 8,717 1,718 26,720 54,721 18,722 6,723 2,724 4,730 3,731 3,736 1,740 5,741 1,743 6,745 6,746 12,747 1,750 2,753 1,755 2,760 1,761 1,764 28,765 5,766 1,767 6,768 1,773 2,777 1,778 3,789 1,792 1,793 2,815 1,819 3,821 1,823 1,827 24,830 1,832 1,833 9,837 2,838 2,847 5.8,849 1,850 2,854 12.75,855 9.1,856 5.194,857 3.453,858 1.045,859 1.152,860 0.935,861 5.606,862 7.907,863 3.466,864 3.998,865 4.385,866 4.776,867 5.158,868 5.121,869 5.347,870 5.084,871 5.207,872 5.256,873 0.857,874 36,875 9.229,877 4.207,878 7.767,879 17.788,881 15.54,883 2.267,884 54.417,887 1,888 317.82,889 75.184,890 4.643,892 86.996,894 5.807,895 69.376,896 404.816,897 4.643,898 8.825,899 21.095,900 43.712,901 86.996,902 6.194,904 317.82,906 317.82,907 74.019,908 86.996,909 5.807,911 200.109,912 204.707,915 34.564,916 39.456,917 5.807,919 317.82,920 91.639,921 75.184,923 5.807,924 317.82,925 22.646,926 51.373,928 86.996,929 317.82,930 91.639,931 75.184,933 0.59,934 0.34,935 0.173,936 0.092,937 18,938 8,939 0.093,940 5,942 1,943 3.573,944 192.176,946 17,947 104.039,950 1,951 17.874,952 7.528,953 4.196,955 91.639,956 5.993,961 0.19,963 42.683,964 484.643,965 31,968 -3.517,970 25.785,975 51.749,976 58.942,977 0.27,978 0.522,979 0.725,980 0.839,981 0.876,982 0.876,983 4.741,984 1.132,985 5.714,986 3.122,987 4.317,988 4.682,989 0.824,990 6.578,991 4.221,992 5.938,993 1,994 7.319,995 2.54,996 4.111,997 4.82,998 0.325,999 7.888,1000 3.897,1001 7.282,1002 0.787,1003 9.051,1004 2.275,1005 6.009,1006 6.911,1007 0.413,1008 10.975,1009 5.777,1010 8.674,1011 0.583,1012 10.868,1013 2.049,1014 6.648,1015 7.942,1016 0.268,1017 13.189,1018 6.278,1019 10.115,1020 -0.173,1021 12.745,1022 1.36,1023 8.084,1024 9.643,1025 0.246,1026 15.937,1027 7.682,1028 11.591,1029 -0.403,1030 14.666,1031 -0.38,1032 9.086,1033 11.011,1034 0.188,1035 18.442,1036 8.552,1037 13.096,1038 -0.771,1039 16.618,1040 -0.895,1041 10.382,1042 12.61,1043 0.157,1044 21.109,1045 9.79,1046 3.552,1047 -0.822,1048 18.595,1049 -2.08,1050 11.538,1051 14.098,1052 0.125,1053 23.701,1054 10.829,1055 2.676,1056 13.917,1057 20.59,1058 -2.181,1059 12.799,1060 15.67,1061 0.102,1062 26.346,1063 12.015,1064 2.576,1065 8.405,1066 22.598,1067 4.767,1068 14.018,1069 17.202,1070 0.082,1071 28.965,1072 13.131,1073 2.318,1074 7.146,1075 24.615,1076 3.421,1077 15.274,1078 18.766,1079 0.067,1080 31.602,1081 14.304,1082 2.083,1083 6.381,1084 26.639,1085 2.69,1086 16.52,1087 20.315,1088 0.054,1089 34.231,1090 15.455,1091 1.562,1092 5.685,1093 28.668,1094 2.569,1095 17.779,1096 21.877,1097 0.043,1098 36.865,1099 16.628,1100 1.298,1101 4.496,1102 30.702,1103 2.163,1104 19.036,1105 23.433,1106 0.035,1107 39.497,1108 17.795,1109 6091,1110 9240,1111 16.989,1112 32.921,1113 38.882,1114 39.755,1115 40.215,1116 39.233,1117 39.133,1118 46.214,1119 2.4,1120 114.754,1121 37.396,1122 5.949,1123 6.731,1124 7.275,1125 5.541,1126 5.552,1127 7.767,1128 1.2,1129 22.226,1130 5.266,1131 12.139,1132 1.495,1133 1.529,1134 1.547,1135 1.509,1136 1.505,1137 1.777,1138 0.092,1139 4.414,1140 1.438,1141 4.113,1142 4.106,1143 4.744,1144 4.084,1145 7.715,1146 3.999,1147 3.889,1148 3.945,1149 3.771,1150 3.756,1151 6.999,1152 3.749,1153 3.796,1154 3.845,1155 3.719,1156 3.679,1157 6.47,1158 3.669,1159 3.525,1160 3.529,1161 3.585,1162 3.44,1163 4.58,1164 3.363,1165 3.405,1166 3.451,1167 3.233,1168 3.238,1169 4.385,1170 3.219,1171 3.119,1172 3.22,1173 2.878,1174 2.941,1175 4.242,1176 2.91,1177 3.111,1178 3.206,1179 2.866,1180 2.922,1181 3.915,1182 2.898,1183 2.931,1184 2.969,1185 2.806,1186 2.746,1187 3.576,1188 2.749,1189 0.19,1190 0.182,1191 0.297,1192 0.172,1193 0.137,1194 4.949,1195 0.183,1196 4.731,1197 0.031,1198 7.725,1199 0.535,1200 4.478,1201 0.126,1202 3.552,1203 4.767,1204 0.8,1205 13.917,1206 3.266,1207 1.955,1208 1.967,1209 2.085,1210 2.052,1211 1.451,1212 2.077,1213 1.866,1214 1.806,1215 1.969,1216 2.018,1217 1.313,1218 2.047,1219 1.674,1220 1.623,1221 1.911,1222 1.831,1223 1.204,1224 1.86,1225 1.563,1226 1.528,1227 1.777,1228 1.746,1229 1.065,1230 1.775,1231 1.364,1232 1.322,1233 1.583,1234 1.574,1235 0.84,1236 1.608,1237 1.168,1238 1.104,1239 1.513,1240 1.385,1241 0.825,1242 1.436,1243 1.153,1244 1.064,1245 1.397,1246 1.376,1247 0.655,1248 1.429,1249 0.953,1250 0.863,1251 1.145,1252 1.203,1253 0.417,1254 1.246,1255 3.97,1257 5.303,1258 2.398,1259 6.828,1260 4.595,1261 8.439,1262 6.605,1263 10.098,1265 2.303,1270 9.59,1271 9.059,1275 0.895,1276 4.117,1280 30.223,1281 80.003,1282 154.771,1283 214.939,1284 248.648,1285 259.668,1286 259.668,1287 57.862,1288 6.862,1289 60.85,1290 69.23,1291 17,1292 12.388,1293 3.17,1294 2.585,1295 39.28,1296 83,1297 95,1298 0.229,1299 189.178,1300 330.94,1301 453.355,1302 8402,1304 17.156,1305 0.715,1306 0.634,1307 17.406,1308 15.211,1309 11.464,1310 0.441,1311 0.401,1312 9.025,1313 10.316,1314 8.692,1315 7.183,1316 12.253,1317 10.439,1318 10.791,1319 0.292,1320 0.246,1321 12.091,1322 9.113,1323 8.684,1324 0.185,1325 0.156,1326 10.01,1327 7.35,1328 6.842,1329 0.118,1330 0.096,1331 8.107,1332 5.574,1333 5.276,1334 0.079,1335 0.061,1336 6.407,1337 4.058,1338 0.357,1339 79.378,1340 0.243,1341 23.421,1342 0.635,1343 126,1344 327.771,1345 177.128,1346 334,1347 447.36,1348 306,1349 147,1350 295.529,1351 207.67,1352 334.854,1353 489.78,1354 314,1355 5.8} {0 CHEMBL282229,1 1.512,2 16.026,3 4.657,4 21.685,5 145.995,6 7.324,7 0.548,8 4.345,9 4.455,10 3.907,11 3.867,12 5.442,13 3.852,14 4.887,15 5.067,16 4.265,17 4.251,18 5.912,19 4.226,20 5.051,21 5.218,22 4.329,23 4.41,24 6.108,25 4.355,26 5.205,27 5.412,28 4.327,29 4.452,30 6.237,31 4.376,32 5.219,33 5.427,34 4.261,35 4.421,36 6.213,37 4.34,38 5.15,39 5.363,40 4.174,41 4.392,42 6.11,43 4.289,44 5.146,45 5.385,46 4.128,47 4.336,48 6.069,49 4.222,50 5.097,51 5.329,52 4.108,53 4.23,54 6.099,55 4.151,56 0.058,57 0.993,58 14.571,59 6.526,60 11.595,61 8.442,62 0.395,63 1.602,64 28.465,65 10.382,66 29.724,67 13.893,68 0.418,69 1.849,70 32.979,71 13.022,72 38.521,73 17.117,74 0.378,75 2.061,76 40.324,77 15.211,78 58.056,79 20.556,80 0.601,81 1.994,82 42.356,83 15.365,84 66.756,85 20.178,86 0.538,87 1.941,88 38.619,89 14.551,90 55.341,91 19.807,92 0.398,93 1.917,94 39.061,95 14.751,96 48.675,97 20.706,98 0.431,99 1.787,100 38.003,101 12.879,102 60.379,103 17.736,104 44,105 60,106 0.235,107 0.55,108 0.74,109 0.821,110 0.846,111 0.846,112 3.668,113 0.904,114 -5.62,115 -5.49,116 -5.12,119 42.9,120 2,121 1,124 3,125 3,140 9,141 6,142 3,147 1,156 1,159 1,164 1,169 16,171 3,172 11,178 20,181 2,182 14,189 19,192 1,193 15,199 17,202 1,203 11,211 19,214 2,215 8,222 15,225 2,226 13,233 8,237 17,244 5,248 1,249 10,256 9,259 2932,260 25.61,261 25.61,262 25.61,263 25.61,264 25.61,265 22.822,266 26.02,267 14.81,268 26.21,269 20.64,270 20.64,271 20.64,272 20.64,273 20.64,274 16.233,275 30.871,276 6.935,277 21.478,278 4.617,279 2.587,280 1.369,281 0.847,282 0.682,283 0.682,284 4.369,290 1322,291 4,294 223.598,295 380.903,298 179.268,302 2.504,303 30.411,306 0.5,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.74,314 82,315 609,316 4.513,317 3.756,318 6.785,319 4.192,320 3.226,321 4.156,322 1.2,323 11.132,324 3.12,325 4.435,326 3.276,327 6.481,328 4.056,329 3.064,330 4.124,331 0.86,332 10.072,333 3.039,334 4.229,335 3.109,336 6.217,337 3.835,338 2.862,339 3.85,340 0.86,341 9.241,342 2.791,343 4.118,344 2.899,345 6.146,346 3.748,347 2.783,348 3.62,349 0.8,350 9.077,351 2.688,352 3.831,353 2.852,354 5.901,355 3.469,356 2.506,357 3.238,358 0.293,359 8.111,360 2.388,361 3.633,362 2.596,363 5.207,364 3.234,365 2.251,366 3.026,368 6.348,369 2.21,370 3.352,371 2.41,372 5.093,373 3.13,374 2.216,375 2.629,377 5.924,378 2.02,379 3.231,380 2.275,381 4.926,382 2.969,383 1.985,384 2.349,386 5.402,387 1.952,388 3.125,389 2.194,390 4.671,391 2.78,392 1.815,393 2.21,395 5.172,396 1.748,397 2.912,398 1.919,399 4.582,400 2.528,401 1.582,402 2.024,404 4.551,405 1.492,406 2.76,407 1.808,408 4.118,409 2.307,410 1.325,411 1.866,413 3.396,414 1.299,415 2.578,416 1.522,417 4.003,418 2.172,419 1.249,420 1.609,422 3.228,423 1.14,424 2.5,425 1.405,426 3.928,427 2.124,428 1.149,429 1.5,431 3.024,432 1.116,433 2.336,434 1.204,435 3.627,436 2,437 1,438 1.323,440 2.275,441 1,442 2.236,443 1.154,444 3.414,445 1.878,446 0.887,447 1.089,449 2.14,450 0.87,451 17.933,452 0.472,453 1.01,454 0.027,455 50,456 1.316,457 25,458 0.658,459 25,460 0.658,461 34.78,462 0.915,463 40.867,464 0.584,465 42.224,466 1.111,467 10.119,468 0.266,469 8.215,470 0.216,471 0.158,473 0.379,479 0.736,480 1.361,481 0.774,482 1.166,483 0.632,484 1.008,485 1.045,486 0.868,487 0.792,488 0.763,489 0.664,490 0.732,491 1.016,492 1.093,493 1.02,494 1.074,495 0.915,496 1.051,497 1.006,498 1.068,499 0.982,500 1.084,501 1.343,502 1.036,503 1.402,504 0.952,505 1.083,506 0.961,507 1.484,508 0.981,509 0.953,510 1.016,511 1.084,512 1.057,513 0.919,514 1.088,515 0.673,516 1.06,517 0.913,518 1.083,519 0.648,520 1.044,521 1.24,522 1.052,523 0.982,524 0.969,525 1.339,526 0.939,527 8,528 0.259,529 5.111,530 2.854,531 2.33,532 1.532,533 1.212,534 0.663,535 0.454,536 0.352,537 25026,538 63111,539 2.081,540 45.7,541 3,542 24,546 3,547 2,550 1.784,551 1.932,552 3.929,553 -0.784,559 105.843,560 1.512,561 3.542,562 4.761,563 5.282,564 5.447,565 5.447,566 3.425,567 4.932,568 5.214,569 4.125,570 2899.92,571 9.168,572 49848.6,577 429.05,578 1.462,579 5.171,580 0.19,581 0.007,582 0.085,583 0.046,584 0.039,585 0.027,586 0.024,587 0.014,588 0.01,589 0.008,590 0.45,591 0.17,592 0.63,593 1.196,594 214.078,595 0.074,596 -0.196,597 0.082,598 -0.1,599 -0.006,600 -0.027,601 0.002,602 0.235,603 0.159,604 0.227,605 0.079,606 0.222,607 -0.011,608 -0.024,609 -0.09,610 -0.05,611 0.004,612 -0.076,613 -0.035,614 -0.059,615 -0.02,616 -0.079,617 -0.042,618 -0.049,619 -0.158,620 0.008,621 -0.08,622 0.038,623 -0.181,624 -0.005,625 -0.017,626 -0.017,627 -0.123,628 -0.051,629 -0.039,630 -0.095,631 0.1,632 -0.09,633 0.051,634 -0.079,635 0.157,636 -0.031,637 -0.109,638 -0.078,639 0.03,640 -0.002,641 0.006,642 0.031,643 1.695,644 6.521,645 0.684,646 53.244,647 1.001,648 1.123,649 4.388,650 19.254,651 0.664,652 3.761,653 4.111,654 4.407,655 4.682,656 4.898,657 5.056,658 5.242,659 5.366,660 5.442,661 5.568,662 9.122,663 0.633,664 512.66,665 3.761,666 5.323,667 6.188,668 7.079,669 7.962,670 8.859,671 9.75,672 10.649,673 11.546,674 12.447,675 5.7,678 1,682 1,685 2,688 9,689 2,691 1,693 11,695 23,703 1,712 2,714 70,716 24,717 3,718 42,720 74,721 30,722 20,723 9,724 9,725 1,730 5,731 6,736 2,740 1,743 1,745 21,746 9,750 1,755 1,759 1,764 32,765 8,767 8,773 4,777 0.8,778 4,792 2,793 3,796 1,815 1,819 4,823 5,827 38,833 4,835 2,838 2,847 5.7,850 1,852 3,854 19.667,855 14.467,856 8.306,857 4.133,858 4.163,859 1.476,860 0.98,861 7.615,862 12.909,863 4.016,864 4.632,865 5.234,866 5.813,867 6.323,868 6.664,869 7.104,870 7.469,871 7.811,872 8.219,873 0.909,874 62,875 14.049,877 5.914,878 7.645,879 27.011,881 21.984,883 2.145,884 81.5,888 376.675,889 186.36,890 42.631,892 56.879,895 186.36,896 433.554,897 42.631,898 45.326,899 14.463,900 85.286,901 71.252,902 69.543,904 376.675,906 376.675,907 228.991,908 56.879,911 355.461,912 80.421,915 40.257,916 150.024,917 36.382,919 376.675,920 99.51,921 186.36,924 376.675,925 55.748,926 136.861,928 93.261,929 376.675,930 99.51,931 186.36,933 0.587,934 0.344,935 0.184,936 0.097,937 29,938 14,939 0.108,940 8,941 1,942 1.077,943 4.816,944 372.889,945 0.077,946 26,947 191.421,951 26.115,952 11.08,953 5.537,955 99.51,956 17.773,957 8.315,959 5.105,961 9.186,964 662.545,965 54.5,970 13.521,974 -0.028,975 70.087,976 78.644,977 0.247,978 0.578,979 0.777,980 0.862,981 0.889,982 0.889,983 5.272,984 1.985,985 6.188,986 5.924,987 4.796,988 5.321,989 2.054,990 7.024,991 4.728,992 6.487,993 1.815,994 7.766,995 5.402,996 4.443,997 5.156,998 0.57,999 7.97,1000 4.35,1001 7.802,1002 1.582,1003 9.441,1004 5.172,1005 6.418,1006 7.516,1007 1.972,1008 11.073,1009 6.297,1010 9.154,1011 1.325,1012 11.174,1013 4.551,1014 6.878,1015 8.16,1016 0.801,1017 12.836,1018 6.733,1019 10.536,1020 1.249,1021 12.943,1022 3.396,1023 8.327,1024 9.993,1025 2.026,1026 15.457,1027 8.16,1028 11.94,1029 1.149,1030 14.737,1031 3.228,1032 9.149,1033 11.006,1034 1.074,1035 17.554,1036 8.958,1037 13.361,1038 1,1039 16.55,1040 3.024,1041 10.398,1042 12.617,1043 2.163,1044 20.01,1045 10.186,1046 3.226,1047 0.887,1048 18.376,1049 2.275,1050 11.387,1051 13.814,1052 1.404,1053 22.254,1054 11.151,1055 3.064,1056 11.132,1057 20.213,1058 2.14,1059 12.558,1060 15.32,1061 2.362,1062 24.652,1063 12.301,1064 2.862,1065 10.072,1066 22.058,1067 4.156,1068 13.626,1069 16.614,1070 1.768,1071 26.965,1072 13.344,1073 2.783,1074 9.241,1075 23.91,1076 4.124,1077 14.77,1078 18.069,1079 2.606,1080 29.345,1081 14.466,1082 2.506,1083 9.077,1084 25.767,1085 3.85,1086 15.874,1087 19.414,1088 2.15,1089 31.692,1090 15.545,1091 2.251,1092 8.111,1093 27.63,1094 3.62,1095 17.012,1096 20.845,1097 2.881,1098 34.071,1099 16.659,1100 2.216,1101 6.348,1102 29.496,1103 3.238,1104 18.136,1105 22.219,1106 2.538,1107 36.437,1108 17.756,1109 23602,1110 37694,1111 27.857,1112 46.5,1113 64.049,1114 65.013,1115 66.042,1116 63.33,1117 63.342,1118 81.708,1119 8.026,1120 186.158,1121 61.077,1122 5.418,1123 5.756,1124 6.334,1125 5.254,1126 5.226,1127 7.156,1128 2.293,1129 18.529,1130 5.12,1131 21.362,1132 1.525,1133 1.548,1134 1.572,1135 1.508,1136 1.508,1137 1.945,1138 0.191,1139 4.432,1140 1.454,1141 4.081,1142 4.105,1143 4.038,1144 4.01,1145 7.428,1146 4.011,1147 3.992,1148 4.015,1149 3.952,1150 3.908,1151 5.295,1152 3.915,1153 3.857,1154 3.882,1155 3.819,1156 3.75,1157 4.919,1158 3.756,1159 3.692,1160 3.758,1161 3.637,1162 3.467,1163 4.785,1164 3.511,1165 3.669,1166 3.714,1167 3.532,1168 3.446,1169 4.545,1170 3.456,1171 3.483,1172 3.526,1173 3.386,1174 3.286,1175 4.482,1176 3.301,1177 3.238,1178 3.309,1179 3.109,1180 3.049,1181 4.385,1182 3.049,1183 3.186,1184 3.26,1185 3.037,1186 3.006,1187 4.227,1188 2.996,1189 0.107,1190 0.089,1191 0.162,1192 0.1,1193 0.077,1194 4.513,1195 0.099,1196 3.756,1197 0.029,1198 6.785,1199 0.265,1200 4.192,1201 0.074,1202 3.226,1203 4.156,1204 1.2,1205 11.132,1206 3.12,1207 2.012,1208 1.994,1209 2.098,1210 2.074,1211 1.246,1212 2.082,1213 1.879,1214 1.866,1215 1.963,1216 1.991,1217 1.182,1218 1.98,1219 1.8,1220 1.777,1221 1.913,1222 1.899,1223 1.095,1224 1.902,1225 1.613,1226 1.533,1227 1.873,1228 1.862,1229 1.039,1230 1.871,1231 1.486,1232 1.424,1233 1.715,1234 1.701,1235 0.947,1236 1.705,1237 1.436,1238 1.38,1239 1.695,1240 1.688,1241 0.736,1242 1.686,1243 1.262,1244 1.212,1245 1.57,1246 1.523,1247 0.697,1248 1.536,1249 1.226,1250 1.163,1251 1.553,1252 1.491,1253 0.621,1254 1.509,1255 4.443,1257 5.784,1258 3.045,1259 7.31,1260 5.352,1261 8.923,1262 7.402,1263 10.585,1265 9.474,1271 2.718,1273 11.547,1276 3.888,1280 44.32,1281 105.843,1282 247.949,1283 333.236,1284 369.766,1285 381.275,1286 381.275,1287 65.495,1288 8.747,1289 80.93,1290 80.93,1291 28,1292 12.969,1293 4.644,1294 3.755,1295 59.421,1296 209,1297 212,1298 0.137,1299 269.607,1300 469.64,1301 649.601,1302 91336,1304 26.811,1305 0.706,1306 0.591,1307 26.811,1308 22.446,1309 18.334,1310 0.437,1311 0.301,1312 12.449,1313 17.512,1314 11.963,1315 9.993,1316 18.334,1317 12.659,1318 16.816,1319 0.28,1320 0.162,1321 16.816,1322 9.734,1323 14.273,1324 0.176,1325 0.083,1326 14.273,1327 6.757,1328 11.98,1329 0.112,1330 0.044,1331 11.98,1332 4.708,1333 9.344,1334 0.07,1335 0.023,1336 9.344,1337 3.12,1338 0.222,1339 115.693,1340 0.189,1341 34.962,1342 0.36,1343 204,1344 599.523,1345 224.283,1346 571.47,1347 792.53,1348 538,1349 243,1350 598.406,1351 264.866,1352 605.05,1353 883.56,1354 565,1355 8.3} {0 CHEMBL282424,1 1.493,2 10.174,3 2.941,4 8.648,5 90.248,6 7.391,7 0.615,8 3.852,9 3.984,10 3.429,11 3.39,12 4.905,13 3.373,14 4.407,15 4.599,16 3.779,17 3.793,18 5.41,19 3.756,20 4.662,21 4.891,22 3.806,23 3.924,24 5.623,25 3.842,26 4.719,27 4.972,28 3.66,29 3.903,30 5.603,31 3.781,32 4.71,33 4.987,34 3.525,35 3.817,36 5.585,37 3.68,38 4.576,39 4.847,40 3.381,41 3.687,42 5.444,43 3.541,44 4.42,45 4.721,46 3.16,47 3.481,48 5.171,49 3.327,50 4.132,51 4.417,52 2.998,53 3.262,54 5.024,55 3.135,56 0.01,57 0.726,58 8.681,59 3.642,60 5.443,61 4.933,62 0.155,63 1.184,64 16.871,65 5.857,66 14.614,67 8.207,68 0.275,69 1.443,70 23.279,71 8.2,72 27.137,73 11.54,74 0.234,75 1.44,76 25.577,77 9.343,78 31.658,79 12.976,80 0.327,81 1.384,82 26.695,83 9.286,84 44.051,85 12.782,86 0.306,87 1.196,88 23.001,89 7.856,90 37.192,91 11.166,92 0.225,93 0.926,94 19.993,95 6.35,96 23.023,97 9.65,98 0.204,99 0.754,100 14.971,101 5.039,102 23.844,103 7.102,104 2,105 36,106 0.261,107 0.606,108 0.744,109 0.842,110 0.85,111 0.85,112 3.188,113 0.916,114 -4.08,115 -4.03,116 -3.81,119 42.9,125 5,140 6,141 2,142 2,143 1,149 1,159 1,169 6,172 4,174 1,176 2,178 4,181 1,182 5,186 1,189 2,193 2,195 1,197 1,202 1,203 3,215 3,226 2,229 1,233 1,236 1,237 1,244 3,254 1,256 4,259 659,260 15.999,261 15.999,262 15.999,263 15.999,264 15.999,265 14.063,266 15.773,267 9.522,268 16.387,269 12.853,270 12.853,271 12.853,272 12.853,273 12.853,274 10.056,275 22.753,276 4.517,277 13.509,278 3.899,279 1.922,280 1.131,281 0.571,282 0.524,283 0.524,284 3.892,287 1,288 1,289 1,290 523,291 2.121,294 49.321,295 203.936,298 92.916,302 1.645,303 17.24,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49.5,315 234,316 4.527,317 3.326,318 6.535,319 4.051,320 3.078,321 4.474,322 0.916,323 10.309,324 2.999,325 4.27,326 3.189,327 6.449,328 3.932,329 2.991,330 3.839,331 0.8,332 9.933,333 2.807,334 3.612,335 2.809,336 5.461,337 3.42,338 2.493,339 2.829,340 0.172,341 7.246,342 2.309,343 3.349,344 2.473,345 5.097,346 2.996,347 2.057,348 2.539,350 5.911,351 1.93,352 3.087,353 2.02,354 4.902,355 2.757,356 1.819,357 2.319,359 5.358,360 1.702,361 3.045,362 1.615,363 4.163,364 2.51,365 1.546,366 2.204,368 3.726,369 1.487,370 2.859,371 1.546,372 3.906,373 2.382,374 1.414,375 2.01,377 3.145,378 1.354,379 2.633,380 1.258,381 3.589,382 2.16,383 1.187,384 1.693,386 2.831,387 1.152,388 2.471,389 1.175,390 3.577,391 2.076,392 1.105,393 1.463,395 2.709,396 1.071,397 2.074,398 1.146,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2,407 0.731,408 3.162,409 1.577,410 0.641,411 0.898,413 1.495,414 0.598,415 1.256,416 0.405,417 2.824,418 1.016,419 0.072,420 0.082,422 0.173,423 0.067,424 0.995,425 0.109,426 2.445,427 0.648,428 -0.262,429 -0.312,431 -0.624,432 -0.232,433 0.687,434 -0.433,435 2,436 0.3,437 -0.652,438 -0.777,440 -1.543,441 -0.614,442 0.646,443 -0.6,444 2,445 0.136,446 -0.837,447 -1,449 -2.041,450 -0.811,451 10.886,452 0.473,453 0.448,454 0.019,455 30.25,456 1.315,457 14.5,458 0.63,459 15.75,460 0.685,461 16.854,462 0.733,463 24.514,464 0.584,465 19.506,466 0.848,467 6.149,468 0.267,469 5.161,470 0.224,471 0.026,473 0.303,477 1,479 0.697,480 1.263,481 0.756,482 1.093,483 0.51,484 0.961,485 0.941,486 1.02,487 0.94,488 0.928,489 0.574,490 0.916,491 0.891,492 1.008,493 1.014,494 1.048,495 0.759,496 1.048,497 0.944,498 1.048,499 1.062,500 1.118,501 0.945,502 1.115,503 1.194,504 0.977,505 1.074,506 0.98,507 1.351,508 1.007,509 1.023,510 0.994,511 1.125,512 1.09,513 1.138,514 1.123,515 0.656,516 0.721,517 0.932,518 0.862,519 0.452,520 0.917,521 1.049,522 0.766,523 0.97,524 0.794,525 1.105,526 0.852,527 3.5,528 0.089,529 2.667,530 1.542,531 0.782,532 0.535,533 0.331,534 0.145,535 0.164,536 0.119,537 6429,538 16254,539 2.196,540 45.2,542 16,543 1,544 1,545 1,550 1.651,551 2.123,552 3.305,553 -0.326,554 1,555 1,557 1,559 62.708,560 1.493,561 3.47,562 4.261,563 4.821,564 4.869,565 4.869,566 2.72,567 3.969,568 4.498,569 3.466,570 876.874,571 7.712,572 10079.9,573 1,574 1,576 1,577 226.477,578 1.121,579 4.483,580 0.135,581 0.006,582 0.074,583 0.044,584 0.027,585 0.021,586 0.016,587 0.009,588 0.011,589 0.007,590 0.349,591 0.67,592 1,593 0.393,594 108.455,595 -0.023,596 -0.214,597 0.068,598 -0.078,599 0.002,600 -0.007,601 -0.098,602 -0.009,603 -0.041,604 0.017,605 0.011,606 0.006,607 0.018,608 -0.026,609 -0.07,610 -0.083,611 0.049,612 -0.09,613 -0.04,614 -0.102,615 -0.095,616 -0.131,617 -0.034,618 -0.125,619 -0.088,620 0.014,621 -0.056,622 0.007,623 -0.137,624 -0.015,625 -0.021,626 -0.042,627 -0.128,628 -0.116,629 -0.105,630 -0.138,631 0.002,632 0.025,633 0.055,634 0.06,635 0.001,636 0.068,637 -0.058,638 0.161,639 0.043,640 0.172,641 -0.083,642 0.136,643 1.802,644 5.885,645 0.913,646 18.885,647 1,648 1.135,649 2.849,650 8.118,651 0.668,652 3.296,653 3.611,654 3.912,655 4.174,656 4.357,657 4.344,658 4.489,659 4.595,660 4.615,661 4.736,662 6.043,663 0.635,664 310.41,665 3.296,666 4.828,667 5.687,668 6.561,669 7.432,670 8.31,671 9.184,672 10.063,673 10.94,674 11.819,675 9.5,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,713 1,714 42,716 16,717 1,718 26,720 45,721 18,722 13,723 2,724 4,730 4,731 5,745 13,746 5,760 1,761 1,762 1,764 19,765 4,766 1,767 5,773 4,777 0.75,786 1,788 1,792 1,793 3,796 1,815 1,819 3,825 1,827 23,833 5,838 2,846 1,854 10.833,855 7.41,856 5.028,857 2.55,858 3.002,859 1.411,860 1.04,861 3.919,862 10.314,863 3.555,864 4.155,865 4.761,866 5.335,867 5.776,868 5.914,869 6.238,870 6.531,871 6.378,872 6.659,873 0.857,874 35,875 8.526,877 3.663,878 7.645,879 16.59,881 13.958,883 2.145,884 49.333,887 1,888 211.88,889 104.832,890 39.82,893 14.96,895 104.832,896 211.88,897 54.78,899 10.529,900 65.905,901 30.272,902 49.718,903 26.731,904 188.338,906 211.88,907 144.652,908 14.96,911 226.84,915 41.201,916 86.666,917 16.786,919 226.84,920 39.82,921 104.832,924 211.88,925 29.88,926 81.201,927 16.786,928 31.746,929 211.88,930 54.78,931 104.832,933 0.578,934 0.346,935 0.193,936 0.1,937 19,938 7,939 0.067,940 3,941 1,942 1.095,943 3.675,944 185.948,945 0.095,946 21,947 100.042,951 14.522,952 6.207,953 2.911,954 2.122,955 37.994,956 14.928,957 4.332,958 3.222,961 1.847,963 16.786,964 371.492,965 34,975 41.989,976 47.655,977 0.277,978 0.644,979 0.79,980 0.894,981 0.903,982 0.903,983 4.779,984 1.187,985 5.652,986 3.145,987 4.29,988 4.84,989 1.242,990 6.454,991 4.192,992 5.964,993 1.105,994 7.2,995 2.831,996 3.761,997 4.543,998 0.57,999 7.334,1000 3.589,1001 7.258,1002 1,1003 8.85,1004 2.709,1005 5.866,1006 7.047,1007 0.883,1008 10.445,1009 5.675,1010 8.591,1011 0.641,1012 10.565,1013 2.275,1014 6.217,1015 7.685,1016 0.581,1017 12.198,1018 5.961,1019 9.963,1020 0.072,1021 12.321,1022 1.495,1023 7.743,1024 9.608,1025 0.68,1026 14.796,1027 7.466,1028 11.362,1029 -0.262,1030 14.106,1031 0.173,1032 8.503,1033 10.693,1034 0.515,1035 16.888,1036 8.176,1037 12.783,1038 -0.652,1039 15.911,1040 -0.624,1041 9.786,1042 12.368,1043 0.541,1044 19.309,1045 9.432,1046 3.078,1047 -0.837,1048 17.731,1049 -1.543,1050 10.737,1051 13.667,1052 0.441,1053 21.536,1054 10.342,1055 2.991,1056 10.309,1057 19.563,1058 -2.041,1059 11.917,1060 15.233,1061 0.438,1062 23.894,1063 11.493,1064 2.493,1065 9.933,1066 21.402,1067 4.474,1068 12.956,1069 16.631,1070 0.373,1071 26.175,1072 12.494,1073 2.057,1074 7.246,1075 23.248,1076 3.839,1077 14.093,1078 18.151,1079 0.358,1080 28.509,1081 13.601,1082 1.819,1083 5.911,1084 25.1,1085 2.829,1086 15.171,1087 19.596,1088 0.314,1089 30.812,1090 14.645,1091 1.546,1092 5.358,1093 26.955,1094 2.539,1095 16.292,1096 21.097,1097 0.296,1098 33.137,1099 15.736,1100 1.414,1101 3.726,1102 28.813,1103 2.319,1104 17.388,1105 22.565,1106 0.264,1107 35.45,1108 16.8,1109 5949,1110 9551,1111 18.087,1112 28.052,1113 39.087,1114 39.148,1115 39.696,1116 38.891,1117 38.803,1118 50.697,1119 3.778,1120 110.222,1121 36.882,1122 5.527,1123 5.326,1124 6.22,1125 5.119,1126 5.078,1127 7.474,1128 1.605,1129 17.053,1130 4.999,1131 6.038,1132 1.503,1133 1.506,1134 1.527,1135 1.496,1136 1.492,1137 1.95,1138 0.145,1139 4.239,1140 1.419,1141 4.114,1142 4.158,1143 4.073,1144 3.998,1145 8.201,1146 4.012,1147 3.948,1148 3.992,1149 3.893,1150 3.843,1151 5.059,1152 3.848,1153 3.718,1154 3.781,1155 3.608,1156 3.546,1157 4.666,1158 3.552,1159 3.405,1160 3.467,1161 3.3,1162 3.271,1163 4.387,1164 3.27,1165 3.131,1166 3.224,1167 3.006,1168 2.941,1169 4.269,1170 2.91,1171 3.111,1172 3.206,1173 2.866,1174 2.891,1175 3.918,1176 2.908,1177 2.904,1178 2.961,1179 2.829,1180 2.733,1181 3.723,1182 2.735,1183 2.859,1184 2.936,1185 2.744,1186 2.685,1187 3.522,1188 2.691,1189 0.174,1190 0.128,1191 0.251,1192 0.156,1193 0.118,1194 4.527,1195 0.172,1196 3.326,1197 0.035,1198 6.535,1199 0.397,1200 4.051,1201 0.115,1202 3.078,1203 4.474,1204 0.916,1205 10.309,1206 2.999,1207 1.916,1208 1.88,1209 2.042,1210 2.067,1211 1.325,1212 2.063,1213 1.876,1214 1.847,1215 1.967,1216 1.994,1217 1.101,1218 1.985,1219 1.708,1220 1.643,1221 1.888,1222 1.891,1223 1.005,1224 1.894,1225 1.495,1226 1.432,1227 1.672,1228 1.703,1229 0.825,1230 1.702,1231 1.153,1232 1.064,1233 1.513,1234 1.376,1235 0.797,1236 1.429,1237 1.113,1238 1.037,1239 1.356,1240 1.363,1241 0.436,1242 1.372,1243 0.915,1244 0.852,1245 1.156,1246 1.115,1247 0.308,1248 1.13,1249 0.859,1250 0.803,1251 1.105,1252 1.068,1253 0.175,1254 1.078,1255 3.97,1257 5.283,1258 2.398,1259 6.801,1260 4.727,1261 8.407,1262 6.823,1263 10.054,1267 13.885,1271 4.461,1276 4.537,1280 26.683,1281 62.708,1282 145.748,1283 178.968,1284 202.477,1285 204.477,1286 204.477,1287 29.69,1288 7.311,1289 35.16,1290 35.16,1291 23,1292 12.356,1293 4.087,1294 3.17,1295 32.085,1296 85,1297 67,1298 0.187,1299 161.743,1300 269.41,1301 386.412,1302 15126,1303 2.4,1304 15.648,1305 0.68,1306 0.56,1307 14.778,1308 12.874,1309 11.31,1310 0.435,1311 0.305,1312 7.819,1313 10.863,1314 7.688,1315 6.313,1316 10.899,1317 7.939,1318 9.988,1319 0.277,1320 0.165,1321 9.46,1322 5.928,1323 8.792,1324 0.179,1325 0.092,1326 8.326,1327 4.496,1328 7.476,1329 0.117,1330 0.051,1331 7.079,1332 3.239,1333 5.981,1334 0.078,1335 0.029,1336 5.74,1337 2.263,1338 0.296,1339 70.82,1340 0.235,1341 22.772,1342 0.504,1343 124,1344 363.379,1345 135.824,1346 330.813,1347 455.05,1348 312,1349 147,1350 336.7,1351 160.137,1352 336.569,1353 494.76,1354 318,1355 5} {0 CHEMBL282693,1 1.521,2 16.111,3 4.201,4 17.65,5 141.519,6 7.248,7 0.59,8 4.29,9 4.412,10 3.833,11 3.804,12 5.411,13 3.785,14 4.801,15 4.989,16 4.163,17 4.165,18 5.857,19 4.131,20 4.971,21 5.152,22 4.212,23 4.32,24 6.034,25 4.255,26 5.139,27 5.371,28 4.185,29 4.356,30 6.144,31 4.262,32 5.12,33 5.352,34 4.113,35 4.325,36 6.108,37 4.224,38 5.076,39 5.321,40 4.046,41 4.273,42 6.008,43 4.158,44 4.999,45 5.232,46 4.036,47 4.196,48 5.999,49 4.097,50 4.977,51 5.208,52 4.001,53 4.119,54 6.036,55 4.043,56 0.073,57 0.974,58 14.128,59 5.943,60 12.22,61 7.964,62 0.339,63 1.51,64 26.187,65 9.363,66 29.827,67 13.008,68 0.302,69 1.767,70 30.652,71 11.672,72 37.788,73 15.96,74 0.345,75 1.961,76 38.488,77 13.736,78 55.376,79 19.478,80 0.455,81 1.893,82 38.164,83 13.278,84 58.361,85 18.743,86 0.413,87 1.783,88 36.723,89 13.358,90 48.365,91 19.038,92 0.374,93 1.666,94 33.702,95 12.227,96 49.346,97 17.266,98 0.378,99 1.604,100 33.552,101 10.879,102 56.654,103 15.266,104 44,105 54,106 0.239,107 0.566,108 0.731,109 0.823,110 0.85,111 0.85,112 3.615,113 0.903,114 -5.23,115 -5.12,116 -4.79,119 41.8,120 2,124 3,125 2,140 10,141 5,142 3,147 1,156 1,159 1,164 1,169 15,171 2,172 6,174 1,176 4,178 19,182 10,184 2,186 4,189 18,193 10,196 1,197 3,199 16,203 9,206 1,208 1,211 17,214 1,215 6,218 1,220 2,222 13,225 1,226 9,229 1,231 4,233 7,237 11,242 5,244 4,248 1,249 8,254 2,256 7,259 2602,260 24.11,261 24.11,262 24.11,263 24.11,264 24.11,265 21.274,266 25.712,267 14.128,268 24.593,269 19.168,270 19.168,271 19.168,272 19.168,273 19.168,274 14.797,275 34.965,276 6.628,277 19.821,278 4.546,279 2.465,280 1.41,281 0.825,282 0.653,283 0.653,284 4.307,289 1,290 1236,291 4,294 124.322,295 414.045,302 2.568,303 26.634,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 77.5,315 580,316 4.441,317 3.573,318 6.482,319 4.063,320 3.07,321 4.146,322 1.058,323 10.075,324 3.054,325 4.289,326 3.12,327 6.183,328 3.903,329 2.933,330 3.923,331 0.86,332 9.213,333 2.855,334 4.215,335 3.106,336 6.15,337 3.814,338 2.842,339 3.843,340 0.8,341 9.095,342 2.756,343 4.071,344 2.858,345 6.03,346 3.707,347 2.72,348 3.588,349 0.4,350 8.608,351 2.67,352 3.667,353 2.583,354 5.255,355 3.261,356 2.286,357 3.08,359 6.63,360 2.23,361 3.519,362 2.433,363 5.148,364 3.162,365 2.226,366 2.846,368 6.277,369 2.106,370 3.294,371 2.379,372 4.942,373 3.116,374 2.168,375 2.565,377 5.484,378 2.02,379 3.228,380 2.186,381 4.666,382 2.901,383 1.906,384 2.242,386 5.191,387 1.893,388 2.926,389 2.019,390 4.399,391 2.586,392 1.655,393 2.05,395 4.297,396 1.537,397 2.844,398 1.825,399 4.169,400 2.394,401 1.386,402 1.946,404 3.613,405 1.392,406 2.739,407 1.405,408 4.069,409 2.263,410 1.284,411 1.813,413 3.393,414 1.252,415 2.536,416 1.204,417 3.888,418 2.04,419 1.051,420 1.525,422 2.917,423 1.035,424 2.5,425 1.154,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.176,434 1.09,435 3.288,436 1.96,437 1,438 1.118,440 2.172,441 0.957,442 2.152,443 1,444 3.269,445 1.649,446 0.686,447 1.017,449 1.671,450 0.658,451 17,452 0.472,453 0.924,454 0.026,455 48.25,456 1.34,457 25,458 0.694,459 23.25,460 0.646,461 30.351,462 0.843,463 38.8,464 0.579,465 40.305,466 1.12,467 9.963,468 0.277,469 7.371,470 0.205,471 0.167,473 0.347,479 0.77,480 1.338,481 0.811,482 1.13,483 0.664,484 0.997,485 0.964,486 0.934,487 0.804,488 0.809,489 0.616,490 0.779,491 1.004,492 1.13,493 1.052,494 1.107,495 0.94,496 1.089,497 0.949,498 1.053,499 0.975,500 1.036,501 1.032,502 1.011,503 1.1,504 0.96,505 1.07,506 0.983,507 1.295,508 1.013,509 0.808,510 0.947,511 0.937,512 0.984,513 0.868,514 0.982,515 0.843,516 1.068,517 0.928,518 1.065,519 0.899,520 1.02,521 1.406,522 1.062,523 1.052,524 0.991,525 1.48,526 0.972,527 8,528 0.211,529 4.444,530 2.347,531 1.899,532 1.295,533 1.011,534 0.642,535 0.337,536 0.288,537 21928,538 56161,539 2.04,540 46.3,541 3,542 23,545 2,546 3,550 1.769,551 1.895,552 3.941,553 0.148,559 101.877,560 1.521,561 3.601,562 4.656,563 5.241,564 5.413,565 5.413,566 3.423,567 4.871,568 5.138,569 4.146,570 2612.03,571 9.005,572 44456.8,577 406.428,578 1.459,579 5.092,580 0.205,581 0.006,582 0.082,583 0.043,584 0.037,585 0.027,586 0.022,587 0.015,588 0.008,589 0.008,590 0.454,591 0.17,592 0.88,593 1.237,594 201.318,595 0.059,596 -0.141,597 0.061,598 -0.062,599 -0.033,600 -0.011,601 0.039,602 0.177,603 0.145,604 0.19,605 0.119,606 0.186,607 -0.065,608 -0.038,609 -0.122,610 -0.085,611 -0.028,612 -0.108,613 -0.05,614 -0.047,615 -0.008,616 -0.041,617 0.012,618 -0.02,619 -0.107,620 0.042,621 -0.091,622 0.004,623 -0.134,624 -0.032,625 0.04,626 0.019,627 0.034,628 0.022,629 0.001,630 0.026,631 0.089,632 -0.093,633 0.046,634 -0.061,635 0.109,636 -0.021,637 -0.16,638 -0.074,639 -0.038,640 -0.03,641 -0.026,642 -0.016,643 1.842,644 5.909,645 0.639,646 49.784,647 1,648 1.127,649 4,650 15.998,651 0.661,652 3.689,653 4.007,654 4.248,655 4.477,656 4.663,657 4.762,658 4.905,659 4.99,660 5.037,661 5.153,662 9.263,663 0.628,664 485.64,665 3.689,666 5.231,667 6.071,668 6.94,669 7.796,670 8.669,671 9.532,672 10.407,673 11.274,674 12.15,675 7.5,678 1,680 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,707 1,712 1,714 67,716 24,717 3,718 39,720 70,721 28,722 20,723 8,724 10,725 1,730 4,731 4,736 2,745 21,746 7,750 1,755 1,759 1,764 31,765 8,766 2,767 8,773 5,777 1,778 3,792 1,793 3,815 1,819 4,823 5,827 36,833 2,834 2,835 1,838 1,847 4.5,850 1,852 2,854 19,855 13.683,856 7.972,857 3.794,858 4.071,859 1.502,860 0.972,861 8.162,862 12.184,863 3.961,864 4.562,865 5.134,866 5.698,867 6.192,868 6.487,869 6.922,870 7.283,871 7.636,872 8.047,873 0.909,874 55,875 13.253,877 5.455,878 7.676,879 25.334,881 20.047,883 2.176,884 78.333,888 341.362,889 183.037,890 75.528,892 45.879,895 183.037,896 387.241,897 75.528,898 45.326,899 22.222,900 94.762,901 89.262,902 52.871,904 341.362,906 341.362,907 258.565,908 45.879,911 343.69,912 45.879,915 48.017,916 153.828,917 54.393,919 341.362,920 121.407,921 183.037,924 341.362,925 42.949,926 143.213,927 36.022,928 82.261,929 341.362,930 121.407,931 183.037,933 0.581,934 0.332,935 0.173,936 0.09,937 24,938 12,939 0.129,940 9,942 1,943 4.712,944 327.966,946 23,947 180.117,951 25.582,952 11.486,953 6.394,955 121.407,956 19.188,957 8.279,959 5.085,961 8.031,963 36.022,964 645.806,965 51.5,970 12.909,974 -0.175,975 66.978,976 75.517,977 0.251,978 0.594,979 0.767,980 0.864,981 0.892,982 0.892,983 5.192,984 1.906,985 6.057,986 5.484,987 4.691,988 5.25,989 1.792,990 6.845,991 4.635,992 6.401,993 1.655,994 7.606,995 5.191,996 4.29,997 5.037,998 0.325,999 7.703,1000 4.215,1001 7.704,1002 1.386,1003 9.251,1004 4.297,1005 6.271,1006 7.431,1007 1.632,1008 10.76,1009 6.171,1010 9.042,1011 1.284,1012 10.952,1013 3.613,1014 6.661,1015 8.017,1016 0.268,1017 12.422,1018 6.546,1019 10.408,1020 1.051,1021 12.687,1022 3.393,1023 8.115,1024 9.882,1025 1.589,1026 14.986,1027 7.982,1028 11.796,1029 1,1030 14.447,1031 2.917,1032 8.866,1033 10.844,1034 0.188,1035 16.981,1036 8.721,1037 13.199,1038 1,1039 16.224,1040 2.275,1041 10.105,1042 12.474,1043 1.592,1044 19.365,1045 9.947,1046 3.07,1047 0.686,1048 18.015,1049 2.172,1050 11.03,1051 13.63,1052 0.125,1053 21.508,1054 10.86,1055 2.933,1056 10.075,1057 19.815,1058 1.671,1059 12.178,1060 15.144,1061 1.624,1062 23.821,1063 11.997,1064 2.842,1065 9.213,1066 21.623,1067 4.146,1068 13.188,1069 16.404,1070 0.082,1071 26.031,1072 12.996,1073 2.72,1074 9.095,1075 23.437,1076 3.923,1077 14.298,1078 17.859,1079 1.676,1080 28.318,1081 14.097,1082 2.286,1083 8.608,1084 25.257,1085 3.843,1086 15.349,1087 19.178,1088 0.054,1089 30.561,1090 15.138,1091 2.226,1092 6.63,1093 27.08,1094 3.588,1095 16.446,1096 20.602,1097 1.742,1098 32.84,1099 16.226,1100 2.168,1101 6.277,1102 28.907,1103 3.08,1104 17.517,1105 21.954,1106 0.035,1107 35.101,1108 17.289,1109 21054,1110 33921,1111 25.66,1112 44.29,1113 58.541,1114 59.093,1115 60.083,1116 57.692,1117 57.699,1118 75.841,1119 6.237,1120 164.094,1121 55.953,1122 5.32,1123 5.573,1124 6.038,1125 5.093,1126 5.07,1127 7.146,1128 2.117,1129 16.894,1130 5.054,1131 20.78,1132 1.501,1133 1.515,1134 1.541,1135 1.479,1136 1.479,1137 1.945,1138 0.16,1139 4.208,1140 1.435,1141 4.06,1142 4.084,1143 4.018,1144 4,1145 7.429,1146 3.999,1147 3.941,1148 3.972,1149 3.897,1150 3.844,1151 5.295,1152 3.851,1153 3.858,1154 3.885,1155 3.818,1156 3.75,1157 4.878,1158 3.756,1159 3.69,1160 3.753,1161 3.636,1162 3.467,1163 4.784,1164 3.51,1165 3.662,1166 3.715,1167 3.517,1168 3.445,1169 4.547,1170 3.451,1171 3.357,1172 3.414,1173 3.283,1174 3.124,1175 4.413,1176 3.156,1177 3.265,1178 3.353,1179 3.071,1180 3.034,1181 4.339,1182 3.021,1183 3.182,1184 3.26,1185 3.031,1186 3.014,1187 4.053,1188 3.004,1189 0.114,1190 0.092,1191 0.166,1192 0.104,1193 0.079,1194 4.441,1195 0.106,1196 3.573,1197 0.027,1198 6.482,1199 0.258,1200 4.063,1201 0.078,1202 3.07,1203 4.146,1204 1.058,1205 10.075,1206 3.054,1207 2.013,1208 1.994,1209 2.099,1210 2.078,1211 1.245,1212 2.084,1213 1.898,1214 1.872,1215 1.996,1216 2.022,1217 1.16,1218 2.017,1219 1.794,1220 1.77,1221 1.909,1222 1.897,1223 1.05,1224 1.902,1225 1.623,1226 1.538,1227 1.871,1228 1.857,1229 1.002,1230 1.867,1231 1.439,1232 1.384,1233 1.696,1234 1.699,1235 0.736,1236 1.688,1237 1.286,1238 1.241,1239 1.595,1240 1.561,1241 0.718,1242 1.564,1243 1.253,1244 1.175,1245 1.573,1246 1.532,1247 0.621,1248 1.548,1249 1.222,1250 1.141,1251 1.552,1252 1.482,1253 0.576,1254 1.496,1255 4.369,1257 5.687,1258 2.398,1259 7.186,1260 4.595,1261 8.769,1262 6.555,1263 10.397,1265 9.489,1271 1.641,1272 6.344,1273 5.445,1276 2.097,1280 42.1,1281 101.877,1282 241.279,1283 311.924,1284 351.144,1285 362.654,1286 362.654,1287 63.212,1288 8.113,1289 92.52,1290 92.52,1291 23,1292 12.691,1293 4.644,1294 3.755,1295 62.577,1296 202,1297 190,1298 0.149,1299 260.614,1300 449.61,1301 627.658,1302 43079,1304 25.656,1305 0.713,1306 0.59,1307 25.656,1308 21.254,1309 17.334,1310 0.444,1311 0.301,1312 11.548,1313 16.6,1314 11.071,1315 9.334,1316 17.334,1317 11.736,1318 15.713,1319 0.291,1320 0.164,1321 15.713,1322 8.843,1323 12.739,1324 0.185,1325 0.084,1326 12.739,1327 5.802,1328 10.447,1329 0.12,1330 0.045,1331 10.447,1332 3.886,1333 7.962,1334 0.076,1335 0.024,1336 7.962,1337 2.51,1338 0.243,1339 109.11,1340 0.197,1341 33.774,1342 0.383,1343 186,1344 544.808,1345 203.766,1346 526.935,1347 725.76,1348 494,1349 216,1350 544.374,1351 234.296,1352 554.294,1353 798.58,1354 516,1355 7.4} {0 CHEMBL282829,1 1.325,2 11.458,3 3.678,4 13.525,5 99.674,6 6.677,7 0.593,8 3.958,9 4.098,10 3.456,11 3.504,12 4.913,13 3.461,14 4.525,15 4.732,16 3.789,17 3.912,18 5.391,19 3.842,20 4.77,21 5.009,22 3.8,23 4.061,24 5.556,25 3.943,26 4.841,27 5.1,28 3.643,29 4.061,30 5.568,31 3.893,32 4.844,33 5.143,34 3.506,35 3.958,36 5.501,37 3.768,38 4.666,39 4.954,40 3.422,41 3.793,42 5.337,43 3.628,44 4.521,45 4.804,46 3.29,47 3.663,48 5.227,49 3.508,50 4.424,51 4.709,52 3.131,53 3.584,54 5.119,55 3.401,56 0.055,57 0.734,58 11.171,59 4.284,60 8.185,61 6.296,62 0.195,63 1.214,64 20.66,65 6.978,66 16.399,67 10.585,68 0.223,69 1.45,70 26.596,71 9.544,72 20.241,73 14.31,74 0.212,75 1.474,76 28.608,77 10.905,78 21.989,79 16.139,80 0.222,81 1.394,82 29.155,83 10.867,84 23.661,85 16.262,86 0.185,87 1.203,88 24.407,89 8.481,90 17.801,91 12.968,92 0.224,93 1.06,94 21.251,95 6.95,96 16.797,97 10.718,98 0.156,99 0.929,100 18.993,101 7.165,102 15.547,103 10.643,104 3,105 37,106 0.225,107 0.567,108 0.75,109 0.819,110 0.819,111 0.819,112 3.228,113 0.978,114 -4.15,115 -4.1,116 -3.88,119 41.7,120 1,121 1,125 5,140 6,141 3,142 1,143 1,149 1,159 1,169 9,172 5,174 1,176 2,178 9,181 1,182 5,186 1,189 7,193 2,195 1,197 1,199 2,202 1,203 5,215 4,226 2,229 1,233 2,236 1,237 2,244 4,249 1,254 2,256 5,259 762,260 16.817,261 16.817,262 16.817,263 16.817,264 16.817,265 14.961,266 19.455,267 9.948,268 17.156,269 13.28,270 13.28,271 13.28,272 13.28,273 13.28,274 10.496,275 25.949,276 4.649,277 13.83,278 4.26,279 2.252,280 1.172,281 0.766,282 0.766,283 0.766,284 3.933,287 1,288 1,289 1,290 612,291 2.345,294 54.101,295 220.763,298 101.556,302 1.92,303 9.36,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 50,315 275,316 4.527,317 3.223,318 6.535,319 4.05,320 3.077,321 4.474,322 0.916,323 10.309,324 2.999,325 4.142,326 3.107,327 6.149,328 3.833,329 2.885,330 3.691,331 0.8,332 9.079,333 2.745,334 3.708,335 2.747,336 5.438,337 3.464,338 2.503,339 2.947,340 0.172,341 7.195,342 2.407,343 3.53,344 2.606,345 5.291,346 3.271,347 2.319,348 2.811,350 6.748,351 2.194,352 3.231,353 2.05,354 4.978,355 2.852,356 1.894,357 2.368,359 5.599,360 1.811,361 3.045,362 1.657,363 4.342,364 2.511,365 1.546,366 2.317,368 4.094,369 1.488,370 2.695,371 1.546,372 4.15,373 2.416,374 1.463,375 1.748,377 3.702,378 1.39,379 2.583,380 1.204,381 3.583,382 2.117,383 1.149,384 1.607,386 2.745,387 1.11,388 2.5,389 1.146,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.077,398 1,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2,407 0.744,408 3.167,409 1.59,410 0.649,411 0.902,413 1.503,414 0.609,415 1.655,416 0.624,417 2.882,418 1.497,419 0.508,420 0.567,422 0.806,423 0.503,424 1.163,425 0.152,426 2.705,427 0.959,433 0.812,434 -0.304,435 2.288,436 0.507,437 -0.464,438 -0.551,440 -0.999,441 -0.448,442 0.663,443 -0.6,444 2,445 0.214,446 -0.757,447 -0.912,449 -1.705,450 -0.732,451 11.6,452 0.483,453 0.427,454 0.018,455 30.5,456 1.271,457 14.5,458 0.604,459 16,460 0.667,461 19.134,462 0.797,463 25.6,464 0.533,465 19.003,466 0.792,467 5.913,468 0.246,469 5.918,470 0.247,471 0.043,473 0.284,479 1.023,480 1.45,481 0.887,482 1.132,483 0.862,484 1.02,485 1.45,486 1.074,487 1.007,488 0.92,489 0.919,490 0.923,491 1.154,492 1.069,493 1.062,494 1.04,495 0.856,496 1.042,497 0.878,498 1.093,499 1.123,500 1.175,501 1.032,502 1.171,503 0.731,504 0.941,505 0.928,506 0.989,507 0.937,508 0.979,509 1.055,510 1.064,511 0.988,512 1.008,513 0.913,514 0.995,515 1.418,516 0.896,517 1.123,518 0.929,519 1.247,520 0.987,521 0.787,522 0.922,523 1.01,524 1.027,525 1.005,526 1.036,527 4,528 0.061,529 2.667,530 1.167,531 0.742,532 0.681,533 0.332,534 0.161,535 0.197,536 0.111,537 7420,538 14873,539 2.187,540 50,541 5,542 16,543 1,544 1,545 1,550 1.661,551 2.118,552 3.464,553 -0.383,555 1,559 63.601,560 1.325,561 3.333,562 4.413,563 4.819,564 4.819,565 4.819,566 2.939,567 4.137,568 4.555,569 3.621,570 999.342,571 7.822,572 11991.5,574 1,576 1,577 268.078,578 1.099,579 4.546,580 0.148,581 0.004,582 0.072,583 0.032,584 0.026,585 0.027,586 0.014,587 0.008,588 0.012,589 0.007,590 0.35,591 0.5,592 1,593 0.573,594 115.913,595 0.05,596 -0.243,597 0.084,598 -0.071,599 0.092,600 -0.004,601 -0.085,602 0.075,603 -0.004,604 0.058,605 0.042,606 0.038,607 -0.059,608 -0.018,609 -0.079,610 -0.054,611 0.047,612 -0.066,613 -0.025,614 -0.115,615 -0.159,616 -0.174,617 -0.144,618 -0.178,619 0.088,620 -0.036,621 0.042,622 -0.01,623 -0.061,624 0.008,625 -0.029,626 -0.114,627 -0.002,628 -0.051,629 -0.047,630 -0.029,631 -0.145,632 0.104,633 -0.119,635 -0.182,636 -0.047,637 0.048,638 0.009,639 -0.042,640 -0.041,641 -0.023,642 -0.048,643 0.679,644 1.378,645 0.875,646 21.896,647 0.984,648 1.128,649 2.924,650 8.552,651 0.659,652 3.332,653 3.638,654 3.932,655 4.174,656 4.382,657 4.419,658 4.543,659 4.615,660 4.673,661 4.804,662 6.554,663 0.612,664 320.48,665 3.332,666 4.86,667 5.714,668 6.581,669 7.447,670 8.319,671 9.19,672 10.064,673 10.936,674 11.811,675 8.3,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,714 48,716 16,717 1,718 27,720 51,721 20,722 13,723 2,724 4,730 4,731 5,736 1,743 1,745 13,746 7,760 1,761 1,764 24,765 3,766 1,767 4,773 4,777 0.75,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 24,833 6,838 2,854 11.333,855 8.767,856 5.333,857 3.132,858 2.978,859 1.402,860 1.023,861 4.435,862 10.388,863 3.584,864 4.171,865 4.774,866 5.342,867 5.808,868 5.985,869 6.292,870 6.539,871 6.405,872 6.682,873 0.875,874 36,875 8.878,877 3.711,878 7.368,879 17.76,881 14.889,883 1.868,884 44.833,885 0.001,887 1,888 270.735,889 110.257,890 39.82,895 110.257,896 270.735,897 39.82,898 8.825,899 13.063,900 65.905,901 30.272,902 43.782,903 11.771,904 247.193,906 270.735,907 150.076,911 270.735,915 52.561,916 80.73,917 16.786,919 270.735,920 39.82,921 110.257,924 270.735,925 26.479,926 90.026,927 16.786,928 16.786,929 270.735,930 39.82,931 110.257,933 0.574,934 0.344,935 0.184,936 0.098,937 19,938 7,939 0.078,940 4,941 1,942 1.095,943 3.804,944 193.999,945 0.095,946 21,947 102.039,951 15.523,952 6.857,953 3.299,954 2.234,955 23.034,956 17.136,957 4.378,958 3.275,961 4.104,963 16.786,964 420.812,965 35,975 47.243,976 54.145,977 0.237,978 0.597,979 0.79,980 0.863,981 0.863,982 0.863,983 4.804,984 1.149,985 5.673,986 3.702,987 4.317,988 4.856,989 1.242,990 6.457,991 4.24,992 5.981,993 1,994 7.21,995 2.745,996 3.761,997 4.543,998 0.57,999 7.298,1000 3.638,1001 7.271,1002 1,1003 8.845,1004 2.275,1005 5.883,1006 7.051,1007 0.883,1008 10.375,1009 5.729,1010 8.599,1011 0.649,1012 10.541,1013 2.275,1014 6.196,1015 7.664,1016 0.581,1017 12.076,1018 6.003,1019 9.963,1020 0.508,1021 12.276,1022 1.503,1023 7.728,1024 9.59,1025 0.68,1026 14.642,1027 7.504,1028 11.353,1030 14.038,1031 0.806,1032 8.447,1033 10.652,1034 0.515,1035 16.694,1036 8.191,1037 12.764,1038 -0.464,1039 15.82,1041 9.729,1042 12.331,1043 0.541,1044 19.091,1045 9.443,1046 3.077,1047 -0.757,1048 17.617,1049 -0.999,1050 10.646,1051 13.617,1052 0.441,1053 21.291,1054 10.331,1055 2.885,1056 10.309,1057 19.426,1058 -1.705,1059 11.82,1060 15.187,1061 0.438,1062 23.631,1063 11.475,1064 2.503,1065 9.079,1066 21.244,1067 4.474,1068 12.833,1069 16.58,1070 0.373,1071 25.896,1072 12.461,1073 2.319,1074 7.195,1075 23.07,1076 3.691,1077 13.962,1078 18.104,1079 0.358,1080 28.217,1081 13.562,1082 1.894,1083 6.748,1084 24.902,1085 2.947,1086 15.022,1087 19.55,1088 0.314,1089 30.511,1090 14.596,1091 1.546,1092 5.599,1093 26.739,1094 2.811,1095 16.134,1096 21.054,1097 0.296,1098 32.829,1099 15.681,1100 1.463,1101 4.094,1102 28.581,1103 2.368,1104 17.217,1105 22.525,1106 0.264,1107 35.137,1108 16.739,1109 6904,1110 9890,1111 18.781,1112 31.637,1113 40.277,1114 39.989,1115 40.909,1116 40.027,1117 39.985,1118 51.863,1119 3.778,1120 112.66,1121 38.44,1122 5.527,1123 5.223,1124 6.217,1125 5.118,1126 5.077,1127 7.474,1128 1.605,1129 17.046,1130 4.999,1131 6.683,1132 1.492,1133 1.481,1134 1.515,1135 1.482,1136 1.481,1137 1.921,1138 0.14,1139 4.173,1140 1.424,1141 4.115,1142 4.159,1143 4.074,1144 4,1145 5.059,1146 4.013,1147 3.963,1148 4.006,1149 3.895,1150 3.882,1151 4.746,1152 3.879,1153 3.741,1154 3.808,1155 3.627,1156 3.566,1157 4.388,1158 3.572,1159 3.426,1160 3.495,1161 3.312,1162 3.287,1163 4.273,1164 3.284,1165 3.362,1166 3.437,1167 3.189,1168 3.212,1169 4.007,1170 3.195,1171 3.111,1172 3.206,1173 2.944,1174 2.941,1175 3.897,1176 2.91,1177 3.1,1178 3.197,1179 2.866,1180 2.854,1181 3.674,1182 2.866,1183 2.854,1184 2.925,1185 2.702,1186 2.735,1187 3.639,1188 2.715,1189 0.168,1190 0.119,1191 0.242,1192 0.15,1193 0.114,1194 4.527,1195 0.166,1196 3.223,1197 0.034,1198 6.535,1199 0.382,1200 4.05,1201 0.111,1202 3.077,1203 4.474,1204 0.916,1205 10.309,1206 2.999,1207 1.946,1208 1.912,1209 2.077,1210 2.074,1211 1.331,1212 2.077,1213 1.883,1214 1.853,1215 1.987,1216 1.998,1217 1.191,1218 1.994,1219 1.728,1220 1.661,1221 1.917,1222 1.921,1223 1.08,1224 1.928,1225 1.512,1226 1.448,1227 1.724,1228 1.72,1229 0.853,1230 1.721,1231 1.391,1232 1.315,1233 1.658,1234 1.593,1235 0.825,1236 1.629,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.779,1242 1.429,1243 1.104,1244 1.029,1245 1.352,1246 1.349,1247 0.432,1248 1.362,1249 0.886,1250 0.821,1251 1.181,1252 1.091,1253 0.306,1254 1.11,1255 4.007,1257 5.313,1258 2.398,1259 6.823,1260 4.727,1261 8.417,1262 6.823,1263 10.051,1265 2.202,1271 6.477,1276 5.027,1280 29.354,1281 63.601,1282 159.965,1283 211.814,1284 231.323,1285 231.323,1286 231.323,1287 25.394,1288 7.41,1289 35.16,1290 35.16,1291 23,1292 12.351,1293 4.087,1294 3.17,1295 34.177,1296 96,1297 98,1298 0.176,1299 179.729,1300 297.94,1301 430.299,1302 17203,1304 16.355,1305 0.681,1306 0.592,1307 16.355,1308 14.203,1309 11.831,1310 0.438,1311 0.326,1312 8.71,1313 11.494,1314 8.489,1315 7.032,1316 11.831,1317 8.805,1318 10.251,1319 0.277,1320 0.176,1321 10.251,1322 6.497,1323 9.145,1324 0.183,1325 0.1,1326 9.145,1327 5.013,1328 7.542,1329 0.118,1330 0.055,1331 7.542,1332 3.491,1333 6.074,1334 0.077,1335 0.031,1336 6.074,1337 2.426,1338 0.282,1339 73.081,1340 0.231,1341 23.838,1342 0.466,1343 128,1344 281.268,1345 135.993,1346 281.371,1347 402.29,1348 268,1349 151,1350 308.366,1351 160.381,1352 315.879,1353 462.96,1354 299,1355 5} {0 CHEMBL282950,1 1.526,2 20.889,3 4.245,4 18.023,5 175.69,6 7.311,7 0.54,8 4.517,9 4.641,10 4.068,11 4.036,12 5.6,13 4.022,14 5.057,15 5.229,16 4.416,17 4.433,18 6.104,19 4.398,20 5.318,21 5.519,22 4.471,23 4.592,24 6.366,25 4.52,26 5.373,27 5.602,28 4.396,29 4.604,30 6.307,31 4.498,32 5.384,33 5.624,34 4.404,35 4.539,36 6.402,37 4.443,38 5.312,39 5.533,40 4.299,41 4.438,42 6.343,43 4.359,44 5.215,45 5.444,46 4.229,47 4.367,48 6.219,49 4.28,50 5.137,51 5.361,52 4.205,53 4.336,54 6.194,55 4.246,56 0.051,57 1.232,58 17.519,59 7.301,60 12.961,61 9.708,62 0.36,63 1.967,64 32.944,65 12.05,66 37.581,67 16.44,68 0.808,69 2.393,70 45.192,71 15.984,72 81.644,73 21.928,74 0.321,75 2.457,76 48.051,77 18.373,78 50.735,79 25.707,80 0.502,81 2.385,82 50.119,83 18.213,84 79.007,85 25.465,86 0.591,87 2.181,88 47.093,89 15.733,90 83.5,91 21.271,92 0.628,93 2.011,94 42.672,95 14.507,96 66.293,97 20.101,98 0.65,99 1.901,100 38.826,101 13.934,102 62.614,103 19.296,104 19,105 69,106 0.228,107 0.544,108 0.708,109 0.808,110 0.829,111 0.832,112 3.831,113 0.91,114 -2.91,115 -2.91,116 -2.82,119 42.2,121 1,124 1,125 7,140 13,141 4,142 5,149 1,150 1,156 2,161 1,162 1,163 1,169 13,172 6,174 2,176 8,178 15,180 1,181 3,182 7,184 2,186 8,189 14,191 1,193 8,197 1,199 5,201 1,202 1,203 18,206 1,207 2,208 5,210 1,211 2,213 1,215 12,220 5,224 1,226 4,228 1,229 3,231 3,233 8,235 1,236 2,237 4,240 4,241 1,242 3,244 16,248 1,249 1,254 1,256 12,259 4924,260 30.85,261 30.85,262 30.85,263 30.85,264 30.85,265 27.453,266 37.105,267 18.344,268 31.443,269 24.688,270 24.688,271 24.688,272 24.688,273 24.688,274 19.378,275 48.856,276 8.708,277 25.626,278 4.849,279 2.733,280 1.635,281 0.968,282 0.828,283 0.804,284 4.545,289 1,290 2079,291 4.472,294 137.398,295 768.422,298 239.36,299 249.382,302 3.284,303 40.163,306 0.75,307 0.33,308 0.67,309 0.7,310 0.5,311 0.67,312 0.5,313 0.59,314 97,315 940,316 4.558,317 3.625,318 6.702,319 4.122,320 3.146,321 4.504,322 2.03,323 10.889,324 3.076,325 4.55,326 3.618,327 6.546,328 4.076,329 3.092,330 4.479,331 2.03,332 10.36,333 3.043,334 4.085,335 3.286,336 5.798,337 3.706,338 2.732,339 3.661,340 0.892,341 7.968,342 2.656,343 3.848,344 3.181,345 5.596,346 3.57,347 2.629,348 3.207,349 0.892,350 7.705,351 2.47,352 3.788,353 2.892,354 5.396,355 3.486,356 2.517,357 3.144,358 0.8,359 7.126,360 2.43,361 3.702,362 2.742,363 5.31,364 3.333,365 2.386,366 3.009,367 0.8,368 6.85,369 2.259,370 3.599,371 2.685,372 5.251,373 3.256,374 2.313,375 2.926,376 0.141,377 6.66,378 2.179,379 3.487,380 2.649,381 5.099,382 3.136,383 2.171,384 2.715,385 0.141,386 6.041,387 2.104,388 3.343,389 2.415,390 5.045,391 3.06,392 2.076,393 2.661,395 5.925,396 2.006,397 3.338,398 2.241,399 4.833,400 2.933,401 1.96,402 2.422,404 5.54,405 1.897,406 3.225,407 2.157,408 4.663,409 2.819,410 1.82,411 2.416,413 5.056,414 1.806,415 2.925,416 1.665,417 4.58,418 2.514,419 1.547,420 2.116,422 4.483,423 1.491,424 2.78,425 1.531,426 4.155,427 2.401,428 1.412,429 1.846,431 3.505,432 1.393,433 2.742,434 1.476,435 3.985,436 2.303,437 1.324,438 1.834,440 3.344,441 1.295,442 2.5,443 1.379,444 3.414,445 2.024,446 1.077,447 1.5,449 2.275,450 1.016,451 21.233,452 0.472,453 0.985,454 0.022,455 59.25,456 1.317,457 29.5,458 0.656,459 29.75,460 0.661,461 39.849,462 0.886,463 48.367,464 0.583,465 51.554,466 1.146,467 12.012,468 0.267,469 9.933,470 0.221,471 0.074,473 0.32,479 0.869,480 1.314,481 0.814,482 1.074,483 0.673,484 0.947,485 1.049,486 1.106,487 0.934,488 0.971,489 0.647,490 0.931,491 1.066,492 0.952,493 1.081,494 0.969,495 1.001,496 1.013,497 0.803,498 1.119,499 0.973,500 1.146,501 0.642,502 1.096,503 0.867,504 1.01,505 0.878,506 1.066,507 0.961,508 0.992,509 1.555,510 1.051,511 1.128,512 1.036,513 1.481,514 1.027,515 1.223,516 0.992,517 1.021,518 0.972,519 0.972,520 0.974,521 0.923,522 0.924,523 0.971,524 0.996,525 1.07,526 1,527 9,528 0.221,529 4.667,530 2.354,531 2.564,532 1.146,533 1.023,534 0.683,535 0.411,536 0.443,537 47931,538 113769,539 2.133,540 45.8,542 30,543 1,545 5,547 2,550 1.819,551 2.03,552 4.281,553 2.044,559 126.672,560 1.526,561 3.642,562 4.74,563 5.407,564 5.547,565 5.571,566 3.728,567 5.27,568 5.466,569 4.513,570 4467.7,571 9.632,572 95669.6,577 529.128,578 1.277,579 5.438,580 0.18,581 0.005,582 0.068,583 0.034,584 0.04,585 0.018,586 0.018,587 0.013,588 0.008,589 0.009,590 0.393,591 0.17,592 0.63,593 0.677,594 273.24,595 -0.064,596 -0.105,597 0.05,598 -0.02,599 -0.067,600 0.027,601 -0.049,602 0.025,603 -0.001,604 0.033,605 0.025,606 0.028,607 0.025,608 0.104,609 -0.112,610 0.023,611 -0.011,612 -0.048,613 -0.015,614 -0.134,615 -0.021,616 -0.122,617 0.033,618 -0.078,619 0.101,620 -0.059,621 0.113,622 -0.064,623 0.099,624 0.013,625 -0.198,626 -0.09,627 -0.102,628 -0.06,629 -0.148,630 -0.066,631 -0.03,632 -0.024,633 -0.009,634 0.009,635 0.007,636 0.001,637 0.144,638 0.064,639 0.018,641 0.046,642 -0.014,643 1.956,644 5.656,645 0.689,646 72.939,647 1.001,648 1.126,649 1.677,650 2.812,651 0.663,652 3.932,653 4.248,654 4.511,655 4.779,656 5.03,657 5.069,658 5.209,659 5.318,660 5.352,661 5.38,662 11.969,663 0.632,664 606.79,665 3.932,666 5.476,667 6.323,668 7.195,669 8.058,670 8.934,671 9.805,672 10.683,673 11.557,674 12.437,675 7.2,676 1,678 1,681 1,682 2,683 1,687 4,688 14,690 1,693 6,695 27,709 1,712 2,714 83,716 29,717 4,718 50,720 88,721 35,722 24,723 9,724 13,730 6,731 8,736 1,743 1,745 26,746 9,750 2,755 2,759 2,764 38,765 9,766 5,767 10,773 6,777 0.667,778 4,788 1,792 1,793 5,796 1,797 1,805 2,812 1,815 1,819 4,823 1,827 45,828 1,833 8,834 2,835 2,838 2,847 4.8,850 2,852 2,854 22.167,855 14.817,856 9.889,857 4.838,858 5.332,859 1.573,860 1.014,861 9.862,862 14.64,863 4.197,864 4.798,865 5.379,866 5.989,867 6.552,868 6.816,869 7.203,870 7.555,871 7.715,872 7.753,873 0.929,874 70,875 16.682,877 7.102,878 7.689,879 32.07,881 26.462,883 2.189,884 98.5,888 388.446,889 204.098,890 91.953,892 72.29,895 204.098,896 460.736,897 91.953,898 8.396,899 91.167,900 132.239,901 59.699,902 74.696,903 13.915,904 376.675,906 388.446,907 296.051,908 72.29,911 364.904,912 95.832,915 111.076,916 184.974,919 388.446,920 164.242,921 204.098,924 388.446,925 63.463,926 146.884,927 52.807,928 105.187,929 388.446,930 164.242,931 204.098,933 0.577,934 0.332,935 0.183,936 0.106,937 32,938 14,939 0.125,940 11,941 2,942 1.129,943 5.658,944 446.488,945 0.129,946 31,947 239.133,951 30.927,952 14.349,953 7.777,954 4.283,955 147.457,956 26.761,958 3.221,961 4.742,963 85.704,964 756.787,965 65.5,970 25.163,974 -0.565,975 83.058,976 93.471,977 0.239,978 0.571,979 0.744,980 0.848,981 0.87,982 0.874,983 5.433,984 2.171,985 6.293,986 6.66,987 4.934,988 5.487,989 3.011,990 7.076,991 4.865,992 6.628,993 2.076,994 7.83,995 6.041,996 4.443,997 5.293,998 2.262,999 7.901,1000 4.356,1001 7.929,1002 1.96,1003 9.462,1004 5.925,1005 6.503,1006 7.701,1007 3.958,1008 10.991,1009 6.371,1010 9.264,1011 1.82,1012 11.152,1013 5.54,1014 6.825,1015 8.364,1016 3.886,1017 12.679,1018 6.679,1019 10.631,1020 1.547,1021 12.88,1022 5.056,1023 8.333,1024 10.247,1025 5.184,1026 15.285,1027 8.152,1028 12.022,1029 1.412,1030 14.637,1031 4.483,1032 9.051,1033 11.334,1034 5.441,1035 17.359,1036 8.858,1037 13.433,1038 1.324,1039 16.415,1040 3.505,1041 10.326,1042 12.998,1043 6.506,1044 19.804,1045 10.107,1046 3.146,1047 1.077,1048 18.212,1049 3.344,1050 11.248,1051 14.3,1052 6.94,1053 22.048,1054 11.017,1055 3.092,1056 10.889,1057 20.025,1058 2.275,1059 12.425,1060 15.869,1061 7.867,1062 24.441,1063 12.174,1064 2.732,1065 10.36,1066 21.849,1067 4.504,1068 13.449,1069 17.276,1070 8.406,1071 26.758,1072 13.185,1073 2.629,1074 7.968,1075 23.685,1076 4.479,1077 14.588,1078 18.803,1079 9.25,1080 29.134,1081 14.307,1082 2.517,1083 7.705,1084 25.53,1085 3.661,1086 15.664,1087 20.26,1088 9.853,1089 31.481,1090 15.369,1091 2.386,1092 7.126,1093 27.383,1094 3.207,1095 16.792,1096 21.771,1097 10.645,1098 33.854,1099 16.48,1100 2.313,1101 6.85,1102 29.242,1103 3.144,1104 17.895,1105 23.252,1106 11.288,1107 36.215,1108 17.567,1109 43928,1110 67959,1111 34.096,1112 55.035,1113 74.626,1114 76.379,1115 75.915,1116 74.043,1117 74.107,1118 96.587,1119 15.454,1120 209.429,1121 71.488,1122 5.558,1123 5.625,1124 6.468,1125 5.209,1126 5.146,1127 7.504,1128 3.634,1129 18.043,1130 5.076,1131 19.791,1132 1.493,1133 1.528,1134 1.518,1135 1.481,1136 1.482,1137 1.932,1138 0.309,1139 4.189,1140 1.43,1141 4.143,1142 4.174,1143 4.1,1144 4.066,1145 7.431,1146 4.069,1147 4.093,1148 4.118,1149 4.052,1150 4.028,1151 7.427,1152 4.032,1153 3.931,1154 3.965,1155 3.875,1156 3.841,1157 5.04,1158 3.843,1159 3.791,1160 3.863,1161 3.676,1162 3.597,1163 4.959,1164 3.607,1165 3.628,1166 3.662,1167 3.558,1168 3.437,1169 4.931,1170 3.448,1171 3.571,1172 3.614,1173 3.486,1174 3.404,1175 4.76,1176 3.416,1177 3.499,1178 3.551,1179 3.382,1180 3.299,1181 4.561,1182 3.321,1183 3.404,1184 3.449,1185 3.312,1186 3.222,1187 4.553,1188 3.243,1189 0.091,1190 0.072,1191 0.134,1192 0.082,1193 0.063,1194 4.558,1195 0.09,1196 3.625,1197 0.041,1198 6.702,1199 0.218,1200 4.122,1201 0.062,1202 3.146,1203 4.504,1204 2.03,1205 10.889,1206 3.076,1207 2.073,1208 2.056,1209 2.15,1210 2.148,1211 1.349,1212 2.15,1213 1.936,1214 1.918,1215 2.022,1216 2.034,1217 1.225,1218 2.029,1219 1.897,1220 1.867,1221 2.001,1222 2.007,1223 1.216,1224 2.007,1225 1.746,1226 1.674,1227 1.958,1228 1.963,1229 1.087,1230 1.968,1231 1.649,1232 1.591,1233 1.851,1234 1.846,1235 1.017,1236 1.854,1237 1.511,1238 1.481,1239 1.673,1240 1.758,1241 0.825,1242 1.724,1243 1.435,1244 1.4,1245 1.609,1246 1.67,1247 0.775,1248 1.651,1249 1.348,1250 1.311,1251 1.556,1252 1.565,1253 0.734,1254 1.563,1255 4.615,1257 5.932,1258 2.398,1259 7.437,1260 4.727,1261 9.028,1262 6.823,1263 10.669,1265 2.146,1269 5.705,1271 5.053,1272 5.663,1273 11.591,1276 4.737,1280 52.416,1281 126.672,1282 302.28,1283 393.439,1284 448.764,1285 460.373,1286 462.373,1287 80.637,1288 9.307,1289 124.95,1290 124.95,1291 35,1292 12.974,1293 4.907,1294 4.044,1295 69.156,1296 332,1297 307,1298 0.097,1299 317.909,1300 549.6,1301 767.458,1302 229096,1304 31.175,1305 0.693,1306 0.563,1307 31.175,1308 25.345,1309 21.945,1310 0.439,1311 0.303,1312 14.942,1313 21.092,1314 14.619,1315 12.077,1316 21.945,1317 15.167,1318 19.67,1319 0.285,1320 0.163,1321 19.67,1322 11.261,1323 16.388,1324 0.182,1325 0.089,1326 16.388,1327 8.019,1328 13.679,1329 0.116,1330 0.047,1331 13.679,1332 5.587,1333 11.65,1334 0.077,1335 0.026,1336 11.65,1337 3.963,1338 0.163,1339 137.537,1340 0.171,1341 41.001,1342 0.241,1343 238,1344 664.543,1345 260.2,1346 639.568,1347 879.18,1348 602,1349 278,1350 646.661,1351 300.342,1352 655.198,1353 955.91,1354 617,1355 9.301} {0 CHEMBL282971,1 1.759,2 11.719,3 5.52,4 30.468,5 133.207,6 8.485,7 0.444,8 4.175,9 4.27,10 4.011,11 3.801,12 5.143,13 3.732,14 4.773,15 4.93,16 4.417,17 4.247,18 5.911,19 4.155,20 5.019,21 5.203,22 4.516,23 4.418,24 6.002,25 4.29,26 5.103,27 5.294,28 4.409,29 4.429,30 6.107,31 4.278,32 5.139,33 5.364,34 4.408,35 4.339,36 6.197,37 4.2,38 5.011,39 5.215,40 4.318,41 4.249,42 6.071,43 4.122,44 4.961,45 5.171,46 4.286,47 4.201,48 6.077,49 4.07,50 4.937,51 5.155,52 4.112,53 4.149,54 5.933,55 4.007,56 0.091,57 0.871,58 13.639,59 6.059,60 14.749,61 7.017,62 0.452,63 1.5,64 29.484,65 11.024,66 56.212,67 12.528,68 0.491,69 1.867,70 40.146,71 14.473,72 35.119,73 16.941,74 0.348,75 1.975,76 49.295,77 17.818,78 40.881,79 20.136,80 0.716,81 1.903,82 51.235,83 16.284,84 85.192,85 18.776,86 0.686,87 1.69,88 46.333,89 14.453,90 66.466,91 16.549,92 0.797,93 1.636,94 42.213,95 13.922,96 89.845,97 16.4,98 0.564,99 1.576,100 43.111,101 13.953,102 69.674,103 15.796,104 27,105 54,106 0.285,107 0.598,108 0.785,109 0.884,110 0.884,111 0.884,112 3.503,113 1.118,114 -4.11,115 -4.06,116 -3.84,119 39.7,120 1,121 2,124 1,125 4,127 1,140 6,141 2,142 4,150 1,151 1,169 6,171 1,172 4,174 2,176 2,178 10,181 2,182 8,186 3,189 10,193 10,195 1,197 2,199 3,203 7,206 1,208 2,211 8,214 3,215 4,220 1,222 8,225 2,226 6,229 1,231 2,233 8,237 4,242 1,244 5,248 2,249 6,256 3,259 1678,260 21.444,261 21.444,262 21.444,263 21.444,264 21.444,265 19.247,266 26.608,267 12.139,268 22.278,269 17.702,270 17.702,271 17.702,272 17.702,273 17.702,274 14.207,275 33.781,276 5.681,277 19.095,278 4.099,279 2.168,280 1.018,281 0.405,282 0.405,283 0.405,284 4.206,285 1,289 1,290 834,291 3.674,294 147.629,295 276.478,298 267.867,302 1.691,303 35.656,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.833,315 375,316 4.94,317 4.713,318 7.441,319 4.396,320 3.491,321 4.864,322 0.86,323 13.079,324 3.151,325 4.452,326 3.351,327 6.546,328 4.04,329 3.095,330 4.318,331 0.8,332 10.368,333 2.927,334 4.338,335 3.13,336 6.491,337 3.908,338 2.951,339 3.945,340 0.8,341 10.061,342 2.807,343 3.898,344 3.076,345 6.146,346 3.763,347 2.817,348 3.075,350 9.064,351 2.662,352 3.646,353 2.738,354 5.432,355 3.216,356 2.288,357 2.948,359 6.871,360 2.126,361 3.511,362 2.487,363 5.203,364 3.083,365 2.166,366 2.798,368 6.16,369 1.951,370 3.286,371 2.42,372 5.1,373 2.932,374 2.015,375 2.621,377 5.952,378 1.84,379 3.197,380 1.993,381 4.954,382 2.767,383 1.842,384 2.314,386 5.573,387 1.621,388 2.866,389 1.691,390 4.633,391 2.494,392 1.534,393 2.011,395 4.304,396 1.468,397 2.535,398 1.493,399 4.38,400 2.281,401 1.364,402 1.536,404 4.226,405 1.23,406 2.52,407 1.368,408 4.016,409 2.224,410 1.244,411 1.525,413 3.187,414 1.217,415 2.187,416 1.121,417 3.59,418 1.976,419 1,420 1.062,422 2.34,423 0.974,424 2.073,425 1.071,426 3.434,427 1.668,428 0.762,429 1.057,431 1.903,432 0.667,433 1.802,434 0.954,435 3.24,436 1.536,437 0.65,438 0.726,440 1.23,441 0.568,442 1.419,443 0.578,444 3.055,445 1.351,446 0.397,447 0.404,449 0.933,450 0.378,451 16.081,452 0.503,453 0.991,454 0.031,455 39.5,456 1.234,457 18.5,458 0.578,459 21,460 0.656,461 33.114,462 1.035,463 34.919,464 0.602,465 29.949,466 0.936,467 7.096,468 0.222,469 8.256,470 0.258,471 0.148,472 0.052,473 0.33,479 0.606,480 1.342,481 0.701,482 1.079,483 0.625,484 0.924,485 0.866,486 0.979,487 0.69,488 0.728,489 0.5,490 0.78,491 0.914,492 0.99,493 0.919,494 0.959,495 0.794,496 0.962,497 0.875,498 1.265,499 1.13,500 1.299,501 0.789,502 1.148,503 1.318,504 0.891,505 0.799,506 0.795,507 1.436,508 0.858,509 1.222,510 0.986,511 0.92,512 0.933,513 1.369,514 0.964,515 0.773,516 0.968,517 0.87,518 1.004,519 0.799,520 0.958,521 1.297,522 0.959,523 0.998,524 0.992,525 1.44,526 0.936,527 8,528 0.209,529 4.667,530 3.076,531 2.525,532 1.16,533 1.11,534 0.574,535 0.385,536 0.372,537 14404,538 38531,539 2.108,540 44.8,541 3,542 18,545 1,547 4,550 1.746,551 1.949,552 3.518,553 -0.31,559 102,560 1.759,561 3.69,562 4.84,563 5.453,564 5.453,565 5.453,566 2.93,567 4.789,568 4.974,569 3.675,570 1822.69,571 8.708,572 25977.2,577 339.763,578 1.617,579 4.916,580 0.222,581 0.007,582 0.086,583 0.056,584 0.049,585 0.025,586 0.025,587 0.013,588 0.01,589 0.011,590 0.504,591 0.33,592 0.75,593 0.731,594 166.729,595 0.071,596 -0.173,597 0.138,598 -0.056,599 -0.111,600 0.021,601 0.083,602 0.139,603 0.137,604 0.206,605 0.268,606 0.138,607 -0.026,608 0.089,609 0.03,610 0.034,611 -0.002,612 -0.004,613 -0.018,614 -0.232,615 -0.112,616 -0.213,617 0.079,618 -0.146,619 -0.118,620 0.079,621 0.098,622 0.14,623 -0.07,624 0.095,625 -0.029,626 0.002,627 0.008,628 0.009,629 -0.102,630 -0.017,631 0.286,632 0.025,633 0.069,634 -0.028,635 0.223,636 0.011,637 -0.154,638 0.019,639 -0.043,640 0.015,641 -0.136,642 0.039,643 4.659,644 6.283,645 0.75,646 29.867,647 1.006,648 1.119,649 2.883,650 8.314,651 0.701,652 3.611,653 4.007,654 4.317,655 4.625,656 4.844,657 4.956,658 5.118,659 5.252,660 5.226,661 5.303,662 6.929,663 0.651,664 492.11,665 3.611,666 5.198,667 6.08,668 6.997,669 7.894,670 8.812,671 9.716,672 10.634,673 11.541,674 12.459,675 5.2,678 1,680 1,681 1,687 2,688 6,692 1,693 6,695 16,709 1,712 1,713 1,714 58,716 18,717 2,718 36,720 62,721 23,722 14,723 6,724 6,730 5,731 7,732 1,736 1,740 3,743 3,745 14,746 9,750 2,753 1,755 2,764 26,765 6,766 1,767 9,768 3,773 3,777 0.6,778 3,789 1,792 2,793 3,796 2,815 1,819 3,821 2,823 2,824 1,827 32,830 1,833 6,834 1,835 1,837 1,838 2,842 1,846 1,847 5.2,850 2,852 1,854 16.417,855 10.96,856 6.792,857 3.518,858 3.139,859 1.381,860 1.019,861 6.14,862 11.381,863 3.85,864 4.519,865 5.087,866 5.696,867 6.23,868 6.571,869 6.936,870 7.303,871 7.37,872 7.565,873 0.875,874 55,875 12.171,877 5.585,878 7.704,879 23.232,881 20.28,883 2.204,884 70.528,888 294.278,889 147.905,890 22.654,891 39.149,892 55.313,894 37.085,895 110.819,896 388.739,897 22.654,898 19.708,899 13.492,900 62.665,901 60.718,902 37.265,903 0.746,904 325.555,905 39.149,906 294.278,907 133.473,908 55.313,909 76.234,911 247.193,912 102.397,915 25.441,916 91.627,917 61.361,918 31.278,919 294.278,920 77.966,921 187.053,923 5.807,924 294.278,925 65.531,926 82.814,927 16.405,928 94.461,929 294.278,930 77.966,931 187.053,933 0.6,934 0.36,935 0.198,936 0.106,937 29,938 13,939 0.081,940 5,941 2,942 1.167,943 4.213,944 311.914,945 0.167,946 24,947 158,948 1,950 1,951 22.417,952 8.764,953 4.291,954 1.768,955 77.966,956 10.944,960 1.259,961 3.839,963 16.405,964 559.297,965 46,968 -3.742,970 26.567,975 58.367,976 64.89,977 0.3,978 0.63,979 0.826,980 0.931,981 0.931,982 0.931,983 5.142,984 1.842,985 6.12,986 5.952,987 4.691,988 5.207,989 1.481,990 7.018,991 4.547,992 6.39,993 1.534,994 7.74,995 5.573,996 4.511,997 5.359,998 0.57,999 8.212,1000 4.261,1001 7.757,1002 1.364,1003 9.466,1004 4.304,1005 6.412,1006 7.552,1007 1.104,1008 11.297,1009 6.127,1010 9.163,1011 1.244,1012 11.257,1013 4.226,1014 7.031,1015 8.518,1016 0.479,1017 13.309,1018 6.631,1019 10.605,1020 1,1021 13.09,1022 3.187,1023 8.458,1024 10.274,1025 0.854,1026 15.989,1027 8.015,1028 12.073,1029 0.762,1030 14.953,1031 2.34,1032 9.416,1033 11.577,1034 0.346,1035 18.321,1036 8.858,1037 13.561,1038 0.65,1039 16.839,1040 1.903,1041 10.684,1042 13.192,1043 0.661,1044 20.893,1045 10.066,1046 3.491,1047 0.397,1048 18.744,1049 1.23,1050 11.787,1051 14.637,1052 0.237,1053 23.353,1054 11.056,1055 3.095,1056 13.079,1057 20.663,1058 0.933,1059 13.008,1060 16.208,1061 0.505,1062 25.902,1063 12.199,1064 2.951,1065 10.368,1066 22.594,1067 4.864,1068 14.173,1069 17.715,1070 0.158,1071 28.417,1072 13.255,1073 2.817,1074 10.061,1075 24.535,1076 4.318,1077 15.385,1078 19.274,1079 0.382,1080 30.967,1081 14.375,1082 2.288,1083 9.064,1084 26.486,1085 3.945,1086 16.58,1087 20.81,1088 0.104,1089 33.508,1090 15.461,1091 2.166,1092 6.871,1093 28.443,1094 3.075,1095 17.794,1096 22.368,1097 0.285,1098 36.063,1099 16.576,1100 2.015,1101 6.16,1102 30.407,1103 2.948,1104 19.006,1105 23.919,1106 0.068,1107 38.617,1108 17.678,1109 13339,1110 22131,1111 23.868,1112 40.671,1113 55.007,1114 56.864,1115 57.322,1116 55.436,1117 55.234,1118 70.41,1119 4.92,1120 170.499,1121 51.172,1122 5.94,1123 6.713,1124 6.981,1125 5.571,1126 5.491,1127 7.864,1128 1.72,1129 21.164,1130 5.151,1131 16.369,1132 1.528,1133 1.58,1134 1.592,1135 1.54,1136 1.534,1137 1.956,1138 0.137,1139 4.736,1140 1.421,1141 4.168,1142 4.153,1143 4.796,1144 4.213,1145 7.717,1146 4.123,1147 3.994,1148 4.039,1149 4.198,1150 3.89,1151 6.999,1152 3.888,1153 3.876,1154 3.906,1155 3.922,1156 3.771,1157 4.973,1158 3.738,1159 3.739,1160 3.711,1161 3.761,1162 3.678,1163 4.859,1164 3.618,1165 3.414,1166 3.491,1167 3.73,1168 3.263,1169 4.513,1170 3.241,1171 3.333,1172 3.379,1173 3.25,1174 3.226,1175 4.428,1176 3.188,1177 3.229,1178 3.288,1179 3.09,1180 2.985,1181 4.372,1182 2.965,1183 3.127,1184 3.217,1185 3.074,1186 2.956,1187 3.982,1188 2.928,1189 0.137,1190 0.131,1191 0.207,1192 0.122,1193 0.097,1194 4.94,1195 0.135,1196 4.713,1197 0.024,1198 7.441,1199 0.363,1200 4.396,1201 0.088,1202 3.491,1203 4.864,1204 0.86,1205 13.079,1206 3.151,1207 1.939,1208 1.929,1209 2.023,1210 2.066,1211 1.344,1212 2.066,1213 1.919,1214 1.905,1215 1.981,1216 1.969,1217 1.199,1218 1.988,1219 1.75,1220 1.767,1221 1.884,1222 1.904,1223 1.176,1224 1.927,1225 1.665,1226 1.629,1227 1.846,1228 1.759,1229 1.088,1230 1.798,1231 1.576,1232 1.505,1233 1.675,1234 1.747,1235 0.961,1236 1.795,1237 1.289,1238 1.258,1239 1.571,1240 1.53,1241 0.805,1242 1.555,1243 1.175,1244 1.107,1245 1.477,1246 1.446,1247 0.601,1248 1.489,1249 1.142,1250 1.058,1251 1.292,1252 1.367,1253 0.564,1254 1.407,1255 4.29,1257 5.666,1258 3.045,1259 7.231,1260 5.416,1261 8.88,1262 7.535,1263 10.574,1265 3.477,1266 6.117,1271 6.486,1272 2.785,1273 5.607,1275 0.557,1276 4.863,1280 37.732,1281 102,1282 214.033,1283 280.743,1284 316.253,1285 316.253,1286 316.253,1287 61.108,1288 8.242,1289 61.88,1290 98.5,1291 28,1292 12.971,1293 4.248,1294 3.459,1295 45.683,1296 134,1297 128,1298 0.166,1299 236.902,1300 405.08,1301 569.801,1302 47536,1303 1.7,1304 22.457,1305 0.702,1306 0.64,1307 23.561,1308 20.487,1309 15.353,1310 0.426,1311 0.373,1312 10.829,1313 13.43,1314 10.296,1315 8.461,1316 16.871,1317 13.418,1318 14.772,1319 0.274,1320 0.218,1321 17.113,1322 11.791,1323 12.612,1324 0.17,1325 0.135,1326 15.136,1327 9.967,1328 10.946,1329 0.108,1330 0.077,1331 13.417,1332 7.808,1333 8.697,1334 0.069,1335 0.046,1336 11.181,1337 5.753,1338 0.259,1339 111.23,1340 0.205,1341 29.647,1342 0.458,1343 180,1344 500.754,1345 277.338,1346 552.197,1347 748.28,1348 512,1349 218,1350 489.536,1351 317.699,1352 559.174,1353 825.97,1354 523,1355 6.9} {0 CHEMBL283036,1 1.621,2 11.731,3 3.678,4 13.525,5 96.005,6 8.009,7 0.552,8 3.932,9 4.058,10 3.556,11 3.443,12 5.035,13 3.449,14 4.52,15 4.701,16 4.005,17 3.85,18 6.067,19 3.844,20 4.725,21 4.941,22 3.943,23 3.997,24 5.788,25 3.935,26 4.842,27 5.089,28 3.817,29 3.98,30 5.911,31 3.882,32 4.789,33 5.071,34 3.609,35 3.867,36 5.703,37 3.736,38 4.603,39 4.874,40 3.541,41 3.735,42 5.465,43 3.604,44 4.518,45 4.786,46 3.518,47 3.601,48 5.474,49 3.514,50 4.458,51 4.72,52 3.426,53 3.431,54 5.692,55 3.39,56 0.099,57 0.913,58 8.14,59 4.038,60 18.441,61 4.92,62 0.855,63 1.783,64 18.41,65 6.583,66 130.867,67 8.273,68 0.39,69 1.635,70 22.94,71 8.881,72 31.383,73 11.842,74 0.615,75 1.708,76 28.982,77 10.497,78 73.257,79 13.602,80 0.627,81 1.416,82 29.675,83 9.956,84 77.02,85 13.786,86 0.509,87 1.161,88 23.189,89 7.744,90 35.72,91 11.765,92 0.406,93 1.2,94 21.421,95 7.014,96 48.962,97 9.786,98 0.694,99 1.281,100 22.233,101 6.829,102 104.761,103 7.513,104 11,105 42,106 0.279,107 0.611,108 0.738,109 0.813,110 0.813,111 0.813,112 3.304,113 0.886,114 -4.53,115 -4.46,116 -4.2,119 42.2,125 5,131 1,140 6,141 3,142 1,143 1,149 1,159 1,169 7,172 5,174 1,176 2,178 6,181 1,182 5,186 1,189 3,193 2,195 1,197 1,202 1,203 4,215 3,226 2,229 1,233 2,236 1,237 1,244 4,254 2,256 5,259 890,260 17.419,261 17.419,262 17.419,263 17.419,264 17.419,265 15.601,266 20.272,267 10.08,268 18.009,269 14.327,270 14.327,271 14.327,272 14.327,273 14.327,274 11.612,275 28.632,276 4.778,277 15.363,278 3.871,279 1.944,280 1.206,281 0.772,282 0.772,283 0.772,284 4.001,287 1,288 1,289 1,290 670,291 3.24,294 61.601,295 247.914,298 115.288,302 2.003,303 33.163,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 58.5,315 305,316 4.527,317 4.46,318 7.111,319 4.174,320 3.315,321 4.474,322 3.825,323 11.659,324 2.999,325 4.445,326 3.222,327 6.535,328 4.05,329 3.076,330 3.854,331 0.916,332 10.309,333 2.893,334 4.025,335 3.098,336 6.142,337 3.781,338 2.85,339 3.289,340 0.8,341 9.053,342 2.624,343 3.576,344 2.711,345 5.433,346 3.357,347 2.428,348 2.822,349 0.172,350 7.174,351 2.248,352 3.285,353 2.18,354 4.985,355 2.899,356 1.949,357 2.439,359 5.638,360 1.842,361 3.052,362 2.016,363 4.709,364 2.705,365 1.783,366 2.318,368 5.106,369 1.611,370 3.043,371 1.546,372 4.279,373 2.51,374 1.546,375 2.15,377 3.829,378 1.487,379 2.643,380 1.519,381 4.147,382 2.237,383 1.294,384 1.703,386 3.661,387 1.204,388 2.514,389 1.201,390 3.583,391 2.106,392 1.141,393 1.517,395 2.743,396 1.096,397 2.5,398 1.146,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.074,407 1,408 3.414,409 1.967,410 1,411 1,413 2.275,414 0.965,415 2,416 0.732,417 3.166,418 1.576,419 0.641,420 0.898,422 1.497,423 0.598,424 1.199,425 0.51,426 2.889,427 0.981,428 0.026,429 0.029,431 0.065,432 0.024,433 0.883,434 0.51,435 2.726,436 0.537,437 -0.421,438 -0.511,440 -1.071,441 -0.401,442 0.665,443 0.195,444 2.299,445 0.217,446 -0.747,447 -0.905,449 -1.774,450 -0.7,451 11.957,452 0.46,453 0.754,454 0.029,455 32.25,456 1.24,457 14.5,458 0.558,459 17.75,460 0.683,461 20.516,462 0.789,463 28.843,464 0.641,465 23.871,466 0.918,467 6.61,468 0.254,469 5.895,470 0.227,471 0.072,472 0.042,473 0.276,476 3,479 0.587,480 1.11,481 0.667,482 1.109,483 0.547,484 0.965,485 0.526,486 0.752,487 0.797,488 0.874,489 0.317,490 0.897,491 0.577,492 0.894,493 0.897,494 1.099,495 0.403,496 1.101,497 0.833,498 0.938,499 1.064,500 1.118,501 0.771,502 1.16,503 0.684,504 0.748,505 0.946,506 0.947,507 0.66,508 1.016,509 0.278,510 0.603,511 0.821,512 1.007,513 0.262,514 1.081,515 0.651,516 0.863,517 0.872,518 0.999,519 0.577,520 1.001,521 1.732,522 1.201,523 1.299,524 0.9,525 1.855,526 0.935,527 6,528 0.077,529 3.556,530 1.667,531 0.822,532 0.861,533 0.495,534 0.286,535 0.23,536 0.182,537 9110,538 29469,539 2.115,540 42.2,542 16,543 1,544 1,545 1,550 1.683,551 1.987,552 3.484,553 -0.294,555 1,559 72.957,560 1.621,561 3.548,562 4.286,563 4.72,564 4.72,565 4.72,566 2.95,567 3.565,568 4.672,569 3.708,570 1205.06,571 8.052,572 15516.2,574 1,576 1,577 247.133,578 1.508,579 4.629,580 0.207,581 0.005,582 0.085,583 0.042,584 0.025,585 0.032,586 0.02,587 0.012,588 0.011,589 0.01,590 0.447,591 0.5,592 1,593 0.721,594 129.462,595 -0.037,596 -0.159,597 0.044,598 -0.073,599 -0.068,600 -0.008,601 0.33,602 0.26,603 0.058,604 0.09,605 0.462,606 0.019,607 -0.018,608 -0.11,609 -0.051,610 -0.131,611 0.07,612 -0.109,613 -0.063,614 -0.088,615 -0.121,616 -0.136,617 -0.019,618 -0.146,619 -0.012,620 -0.018,621 0.03,622 0.016,623 -0.029,624 0.031,625 0.179,626 0.017,627 0.09,628 -0.071,629 0.084,630 -0.043,631 0.007,632 -0.134,633 0.083,634 -0.071,635 0.008,636 0.007,637 -0.273,638 0.004,639 -0.176,640 0.086,641 -0.293,642 0.021,643 5.536,644 4.677,645 0.808,646 25.497,647 1.02,648 1.15,649 3.304,650 10.919,651 0.66,652 3.401,653 3.761,654 4.007,655 4.234,656 4.431,657 4.511,658 4.663,659 4.691,660 4.745,661 4.927,662 7.012,663 0.644,664 360.42,665 3.401,666 4.963,667 5.814,668 6.701,669 7.566,670 8.452,671 9.322,672 10.207,673 11.079,674 11.965,675 8.9,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,714 45,716 16,717 1,718 29,720 48,721 19,722 13,723 2,724 4,730 4,731 5,736 1,742 1,745 13,746 6,760 1,761 1,762 3,764 19,765 6,766 1,767 7,773 4,777 0.75,786 1,788 1,792 1,793 3,796 1,815 1,819 3,825 3,827 26,833 5,838 2,839 1,846 3,854 13.083,855 7.945,856 5.5,857 2.677,858 3.003,859 1.396,860 1.031,861 4.535,862 10.586,863 3.638,864 4.245,865 4.823,866 5.384,867 5.848,868 6.067,869 6.393,870 6.577,871 6.449,872 6.748,873 0.875,874 40,875 9.988,877 4.673,878 8.061,879 18.191,881 15.321,883 2.561,884 66.583,887 1,888 211.88,889 106.657,890 39.82,893 44.88,895 106.657,896 211.88,897 84.7,899 10.529,900 65.905,901 30.272,902 88.663,903 11.771,904 188.338,905 7.76,906 211.88,907 146.476,908 44.88,911 211.88,912 44.88,915 48.961,916 80.73,917 16.786,919 256.76,920 39.82,921 106.657,924 219.639,925 23.945,926 81.201,927 16.786,928 61.666,929 211.88,930 84.7,931 106.657,933 0.596,934 0.338,935 0.172,936 0.089,937 22,938 9,939 0.063,940 3,941 1,942 1.095,943 3.896,944 217.669,945 0.095,946 21,947 109.457,951 17.231,952 6.843,953 3.686,954 2.031,955 67.914,956 13.19,957 4.309,958 3.19,961 1.456,963 16.786,964 403.236,965 37,975 45.898,976 51.749,977 0.295,978 0.646,979 0.78,980 0.859,981 0.859,982 0.859,983 4.898,984 1.294,985 5.838,986 3.829,987 4.443,988 4.931,989 3.149,990 6.683,991 4.311,992 6.114,993 1.141,994 7.427,995 3.661,996 4.205,997 4.771,998 3.919,999 7.847,1000 3.889,1001 7.435,1002 1,1003 9.129,1004 2.743,1005 6.125,1006 7.139,1007 5.427,1008 10.841,1009 5.841,1010 8.793,1011 1,1012 10.898,1013 2.275,1014 6.698,1015 7.826,1016 6.691,1017 12.807,1018 6.234,1019 10.185,1020 0.641,1021 12.713,1022 2.275,1023 8.134,1024 9.689,1025 8.058,1026 15.386,1027 7.671,1028 11.602,1029 0.026,1030 14.557,1031 1.497,1032 9.048,1033 10.781,1034 9.389,1035 17.638,1036 8.432,1037 13.037,1038 -0.421,1039 16.422,1040 0.065,1041 10.307,1042 12.429,1043 10.734,1044 20.101,1045 9.655,1046 3.315,1047 -0.747,1048 18.304,1049 -1.071,1050 11.366,1051 13.721,1052 12.074,1053 22.459,1054 10.586,1055 3.076,1056 11.659,1057 20.197,1058 -1.774,1059 12.562,1060 15.274,1061 13.416,1062 24.892,1063 11.72,1064 2.85,1065 10.309,1066 22.1,1067 4.474,1068 13.682,1069 16.665,1070 14.758,1071 27.293,1072 12.728,1073 2.428,1074 9.053,1075 24.01,1076 3.854,1077 14.858,1078 18.178,1079 16.1,1080 29.722,1081 13.827,1082 1.949,1083 7.174,1084 25.927,1085 3.289,1086 16.006,1087 19.618,1088 17.441,1089 32.143,1090 14.872,1091 1.783,1092 5.638,1093 27.848,1094 2.822,1095 17.178,1096 21.115,1097 18.783,1098 34.575,1099 15.956,1100 1.546,1101 5.106,1102 29.774,1103 2.439,1104 18.34,1105 22.58,1106 20.124,1107 37.007,1108 17.019,1109 8560,1110 15602,1111 19.474,1112 29.688,1113 44.75,1114 43.698,1115 44.32,1116 44.39,1117 44.099,1118 55.988,1119 11.428,1120 130.569,1121 41.185,1122 5.527,1123 6.46,1124 6.793,1125 5.242,1126 5.315,1127 7.474,1128 5.335,1129 18.557,1130 4.999,1131 11.754,1132 1.543,1133 1.507,1134 1.528,1135 1.531,1136 1.521,1137 1.931,1138 0.394,1139 4.502,1140 1.42,1141 4.115,1142 4.159,1143 4.074,1144 3.999,1145 8.513,1146 4.012,1147 3.966,1148 4.006,1149 3.918,1150 3.87,1151 7.999,1152 3.875,1153 3.743,1154 3.807,1155 3.649,1156 3.558,1157 7.999,1158 3.568,1159 3.417,1160 3.477,1161 3.355,1162 3.275,1163 5.059,1164 3.276,1165 3.308,1166 3.363,1167 3.267,1168 3.022,1169 4.711,1170 3.072,1171 3.111,1172 3.206,1173 2.953,1174 2.941,1175 4.385,1176 2.91,1177 3.078,1178 3.168,1179 2.866,1180 2.809,1181 4.258,1182 2.832,1183 2.854,1184 2.925,1185 2.695,1186 2.735,1187 3.913,1188 2.715,1189 0.156,1190 0.154,1191 0.245,1192 0.144,1193 0.114,1194 4.527,1195 0.154,1196 4.46,1197 0.132,1198 7.111,1199 0.402,1200 4.174,1201 0.103,1202 3.315,1203 4.474,1204 3.825,1205 11.659,1206 2.999,1207 1.932,1208 1.899,1209 2.052,1210 2.072,1211 1.327,1212 2.07,1213 1.881,1214 1.851,1215 1.971,1216 1.997,1217 1.115,1218 1.988,1219 1.717,1220 1.653,1221 1.892,1222 1.912,1223 1.041,1224 1.907,1225 1.499,1226 1.437,1227 1.672,1228 1.711,1229 0.825,1230 1.705,1231 1.153,1232 1.078,1233 1.513,1234 1.446,1235 0.799,1236 1.429,1237 1.139,1238 1.064,1239 1.357,1240 1.376,1241 0.442,1242 1.394,1243 1.045,1244 0.995,1245 1.181,1246 1.317,1247 0.324,1248 1.281,1249 0.886,1250 0.821,1251 1.169,1252 1.062,1253 0.218,1254 1.107,1255 4.078,1257 5.425,1258 2.398,1259 6.961,1260 4.727,1261 8.574,1262 6.823,1263 10.223,1267 38.032,1271 4.173,1276 4.49,1277 -4.286,1280 28.977,1281 72.957,1282 159.649,1283 192.869,1284 212.379,1285 212.379,1286 212.379,1287 42.711,1288 7.583,1289 35.16,1290 35.16,1291 23,1292 12.499,1293 4.087,1294 3.17,1295 38.415,1296 114,1297 84,1298 0.17,1299 173.731,1300 298.85,1301 415.664,1302 21363,1303 6.7,1304 18.148,1305 0.698,1306 0.543,1307 15.648,1308 14.13,1309 12.504,1310 0.431,1311 0.295,1312 8.391,1313 11.871,1314 8.286,1315 6.764,1316 11.293,1317 8.561,1318 12.04,1319 0.287,1320 0.155,1321 10.082,1322 6.521,1323 9.672,1324 0.179,1325 0.09,1326 8.736,1327 4.863,1328 7.93,1329 0.117,1330 0.05,1331 7.231,1332 3.41,1333 6.25,1334 0.075,1335 0.029,1336 5.964,1337 2.368,1338 0.274,1339 79.37,1340 0.227,1341 25.541,1342 0.446,1343 142,1344 553.602,1345 167.01,1346 457.31,1347 603.09,1348 426,1349 167,1350 426.366,1351 186.857,1352 413.89,1353 626.24,1354 389,1355 5} {0 CHEMBL28313,1 1.875,2 8.682,3 4.816,4 23.191,5 77.129,6 8.435,7 0.261,8 3.795,9 3.887,10 3.618,11 3.306,12 4.857,13 3.28,14 4.432,15 4.579,16 4.066,17 3.663,18 6.153,19 3.649,20 4.689,21 4.894,22 4.014,23 3.793,24 6.431,25 3.734,26 4.611,27 4.839,28 3.759,29 3.803,30 5.587,31 3.683,32 4.659,33 4.88,34 3.856,35 3.787,36 5.811,37 3.687,38 4.665,39 4.882,40 3.822,41 3.664,42 5.96,43 3.612,44 4.591,45 4.825,46 3.62,47 3.428,48 5.991,49 3.403,50 4.313,51 4.546,52 3.276,53 3.096,54 5.791,55 3.064,56 0.197,57 0.767,58 10.121,59 4.645,60 44.84,61 4.789,62 1.137,63 1.569,64 21.684,65 7.608,66 208.203,67 8.314,68 1.624,69 1.155,70 26.455,71 8.626,72 261.956,73 11.236,74 0.663,75 1.142,76 25.071,77 9.18,78 82.804,79 11.672,80 0.802,81 1.268,82 29.115,83 9.888,84 109.105,85 11.786,86 0.981,87 1.37,88 30.992,89 9.067,90 155.171,91 10.221,92 1.206,93 1.29,94 29.744,95 7.89,96 194.768,97 8.228,98 1.122,99 0.968,100 23.105,101 5.706,102 169.988,103 5.573,104 49,105 34,106 0.339,107 0.621,108 0.808,109 0.866,110 0.866,111 0.866,112 3.147,113 1.109,114 -4.05,115 -4,116 -3.79,119 35,120 1,121 4,125 1,127 1,132 1,140 3,141 2,142 1,169 8,171 3,172 2,176 3,178 9,182 3,186 3,189 8,193 6,197 1,199 5,203 7,206 1,208 2,211 5,215 4,220 1,222 3,226 3,229 2,233 3,237 1,244 3,249 2,256 1,259 640,260 13.949,261 13.949,262 13.949,263 13.949,264 13.949,265 12.896,266 15.975,267 8.141,268 14.519,269 11.312,270 11.312,271 11.312,272 11.312,273 11.312,274 9.591,275 18.506,276 3.814,277 12.356,278 3.447,279 1.889,280 0.857,281 0.538,282 0.538,283 0.538,284 3.799,288 1,289 1,290 383,291 4.243,295 112.005,299 96.111,302 1.409,303 46.935,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 52,315 191,316 5.002,317 5.697,318 8.105,319 4.519,320 3.693,321 4.701,322 6.006,323 14.446,324 3.125,325 4.371,326 3.814,327 6.532,328 4.029,329 3.05,330 4.008,331 1.914,332 10.301,333 2.953,334 3.484,335 3.226,336 5.472,337 3.336,338 2.387,339 2.638,340 0.4,341 7.069,342 2.269,343 3.359,344 2.536,345 5.261,346 3.056,347 2.152,348 2.426,350 6.615,351 1.95,352 3.223,353 2.285,354 5.02,355 2.784,356 1.866,357 2.34,359 5.707,360 1.611,361 2.857,362 1.683,363 4.12,364 2.478,365 1.492,366 1.991,368 3.546,369 1.47,370 2.418,371 1.483,372 3.503,373 2.345,374 1.355,375 1.417,377 2.648,378 1.34,379 2.046,380 1.362,381 3.431,382 1.915,383 0.935,384 1.012,386 2.229,387 0.912,388 1.449,389 0.998,390 3.249,391 1.317,392 0.361,393 0.376,395 0.66,396 0.344,397 1.187,398 0.526,399 2.768,400 0.918,401 -0.032,402 -0.037,404 -0.072,405 -0.03,406 1,407 0.51,408 2.6,409 0.485,410 -0.498,411 -0.572,413 -1.113,414 -0.487,415 0.734,416 0.51,417 2.369,418 0.323,419 -0.67,420 -0.762,422 -1.937,423 -0.665,424 0.576,425 0.076,426 2.238,428 -1,429 -1,431 -2.261,432 -0.7,433 0.268,434 -0.154,435 2,436 -0.01,437 -1,438 -1,440 -3,441 -0.7,443 -0.393,444 2,445 -0.16,446 -1,447 -1.128,449 -3,450 -0.988,451 10.09,452 0.459,453 0.843,454 0.038,455 23.25,456 1.057,457 9.5,458 0.432,459 13.75,460 0.625,461 20.251,462 0.92,463 27.11,464 0.678,465 18.998,466 0.864,467 4.229,468 0.192,469 6.014,470 0.273,471 0.201,472 0.132,473 0.198,478 3,479 0.526,480 1.078,481 0.75,482 1.414,483 0.615,484 1.092,485 0.341,486 0.832,487 0.596,488 1.135,489 0.391,490 1.044,491 0.263,492 0.645,493 0.56,494 0.741,495 0.185,496 0.903,497 0.459,498 0.676,499 0.754,500 0.968,501 0.318,502 1.053,503 0.619,504 0.842,505 0.862,506 1.077,507 0.546,508 1.015,509 1.019,510 1.104,511 1.051,512 1.149,513 1.02,514 1.028,515 1.416,516 1.228,517 1.151,518 0.958,519 1.488,520 0.941,521 1.738,522 1.148,523 1.384,524 0.889,525 1.831,526 0.997,527 6.5,528 0.05,529 3.556,530 1.25,531 1.507,532 0.951,533 0.733,534 0.479,535 0.217,536 0.116,537 4093,538 15336,539 1.898,540 45,541 5,542 6,545 1,547 6,550 1.65,551 1.714,552 3.085,553 -0.175,559 75.006,560 1.875,561 3.433,562 4.465,563 4.784,564 4.784,565 4.784,566 2.534,567 3.607,568 4.428,569 3.226,570 745.12,571 7.632,572 8067.34,574 1,577 212.877,578 1.79,579 4.327,580 0.283,581 0.008,582 0.105,583 0.036,584 0.054,585 0.032,586 0.026,587 0.022,588 0.016,589 0.014,590 0.595,591 0.33,592 1,593 1.657,594 99.96,595 0.034,596 -0.054,597 0.204,598 -0.101,599 -0.092,600 0.018,601 0.499,602 0.171,603 0.286,604 -0.091,605 0.405,606 -0.043,607 0.521,608 0.154,609 0.226,610 0.111,611 0.525,612 0.069,613 0.038,614 -0.036,615 0.079,616 -0.02,617 0.078,619 0.029,620 -0.136,621 0.097,622 -0.06,623 0.055,624 0.034,625 -0.122,626 -0.232,627 -0.031,628 -0.146,629 -0.094,630 -0.034,631 -0.224,632 -0.167,633 -0.119,634 -0.043,635 -0.234,636 -0.016,637 -0.296,638 0.14,639 -0.3,640 0.033,641 -0.341,642 -0.117,643 6.676,644 4.469,645 0.455,646 15.835,647 1.038,648 1.155,649 2.82,650 7.953,651 0.636,652 3.178,653 3.555,654 3.738,655 3.85,656 4.143,657 4.205,658 4.304,659 4.357,660 4.344,661 4.078,662 5.208,663 0.619,664 337.4,665 3.178,666 4.745,667 5.58,668 6.472,669 7.344,670 8.237,671 9.121,672 10.015,673 10.905,674 11.799,675 2.5,677 1,688 3,693 3,695 6,714 40,716 8,717 1,718 23,720 41,721 14,722 6,723 3,724 3,730 2,731 3,736 1,740 4,743 5,745 6,746 8,750 2,753 1,755 2,762 3,764 18,765 7,766 1,767 8,768 1,773 1,777 0.5,778 3,793 2,797 1,814 1,819 1,821 1,823 1,825 3,827 22,831 1,833 5,834 1,835 1,837 1,839 1,846 3,847 7.5,850 2,852 1,854 12.833,855 7.179,856 4.743,857 2.579,858 1.416,859 1.215,860 0.947,861 5.159,862 7.995,863 3.367,864 3.961,865 4.327,866 4.686,867 5.208,868 5.383,869 5.626,870 5.881,871 5.955,872 5.699,873 0.833,874 35,875 10.696,877 4.9135,878 8.591,879 15.023,881 12.594,883 3.091,884 68,888 200.109,889 74.987,890 18.011,892 52.858,893 44.88,894 7.75,895 67.237,896 252.967,897 62.891,898 8.825,899 12.244,900 54.189,901 44.313,902 65.04,904 200.109,905 6.125,906 200.109,907 85.248,908 97.739,909 7.75,911 129.482,912 123.485,913 44.88,914 6.125,915 39.08,916 40.043,917 7.75,919 244.989,920 70.869,921 74.987,923 7.75,924 206.233,925 23.858,926 37.254,927 18.011,928 97.739,929 200.109,930 115.749,931 74.987,933 0.598,934 0.336,935 0.144,936 0.089,937 16,938 8,939 0.122,940 5,941 1,942 1.2,943 3.207,944 168.074,945 0.2,946 10,947 91.353,950 1,951 17.266,952 6.573,953 4.02,955 115.749,956 4.572,961 1.15,963 18.011,964 390.845,965 28,968 -5.639,970 22.396,975 41.534,976 46.218,977 0.352,978 0.645,979 0.839,980 0.899,981 0.899,982 0.899,983 4.659,984 0.935,985 5.673,986 2.648,987 4.234,988 4.644,989 4.156,990 6.603,991 4.076,992 5.922,993 0.361,994 7.339,995 2.229,996 4.29,997 4.966,998 4.961,999 8.138,1000 3.913,1001 7.315,1002 -0.032,1003 9.144,1004 0.66,1005 6.052,1006 6.977,1007 7.403,1008 11.168,1009 5.678,1010 8.753,1011 -0.498,1012 11.036,1013 -0.072,1014 6.878,1015 8.068,1016 8.78,1017 13.474,1018 6.255,1019 10.233,1020 -0.67,1021 12.986,1022 -1.113,1023 8.28,1024 9.735,1025 10.87,1026 16.218,1027 7.617,1028 11.741,1029 -1,1030 14.973,1031 -1.937,1032 9.4,1033 11.1,1034 12.462,1035 18.767,1036 8.507,1037 13.271,1038 -1,1039 16.988,1040 -2.261,1041 10.707,1042 12.671,1043 14.399,1044 21.448,1045 9.719,1046 3.693,1047 -1,1048 19.023,1049 -3,1050 11.935,1051 14.135,1052 16.093,1053 24.075,1054 10.741,1055 3.05,1056 14.446,1057 21.072,1058 -3,1059 13.223,1060 15.678,1061 17.956,1062 26.743,1063 11.896,1064 2.387,1065 10.301,1066 23.132,1067 4.701,1068 14.491,1069 17.181,1070 19.7,1071 29.397,1072 12.975,1073 2.152,1074 7.069,1075 25.199,1076 4.008,1077 15.78,1078 18.717,1079 21.527,1080 32.064,1081 14.109,1082 1.866,1083 6.615,1084 27.272,1085 2.638,1086 17.065,1087 20.238,1088 23.296,1089 34.727,1090 15.212,1091 1.492,1092 5.707,1093 29.35,1094 2.426,1095 18.358,1096 21.773,1097 25.105,1098 37.395,1099 16.339,1100 1.355,1101 3.546,1102 31.431,1103 2.34,1104 19.652,1105 23.304,1106 26.886,1107 40.063,1108 17.453,1109 4310,1110 8764,1111 14.099,1112 25.443,1113 34.503,1114 35.681,1115 36.169,1116 34.809,1117 34.583,1118 41.819,1119 16.64,1120 106.44,1121 31.946,1122 5.948,1123 7.697,1124 7.968,1125 5.581,1126 5.693,1127 7.701,1128 10.217,1129 22.708,1130 5.125,1131 13.971,1132 1.5,1133 1.551,1134 1.573,1135 1.513,1136 1.504,1137 1.818,1138 0.723,1139 4.628,1140 1.389,1141 4.062,1142 4.065,1143 4.739,1144 3.987,1145 8.518,1146 3.962,1147 3.897,1148 3.852,1149 3.927,1150 3.823,1151 7.999,1152 3.713,1153 3.662,1154 3.73,1155 3.524,1156 3.507,1157 7.999,1158 3.498,1159 3.465,1160 3.531,1161 3.29,1162 3.34,1163 7.707,1164 3.317,1165 3.147,1166 3.227,1167 3.089,1168 2.989,1169 6.999,1170 2.974,1171 2.972,1172 3.066,1173 2.955,1174 2.751,1175 4.784,1176 2.74,1177 2.911,1178 2.933,1179 2.754,1180 2.57,1181 4.33,1182 2.562,1183 2.716,1184 2.798,1185 2.526,1186 2.473,1187 4.128,1188 2.496,1189 0.217,1190 0.248,1191 0.352,1192 0.196,1193 0.161,1194 5.002,1195 0.204,1196 5.697,1197 0.261,1198 8.105,1199 0.628,1200 4.519,1201 0.136,1202 3.693,1203 4.701,1204 6.006,1205 14.446,1206 3.125,1207 1.997,1208 1.977,1209 2.12,1210 2.095,1211 1.44,1212 2.108,1213 1.672,1214 1.692,1215 1.921,1216 1.871,1217 1.154,1218 1.891,1219 1.592,1220 1.581,1221 1.736,1222 1.793,1223 0.926,1224 1.814,1225 1.479,1226 1.425,1227 1.478,1228 1.645,1229 0.762,1230 1.672,1231 1.155,1232 1.082,1233 1.355,1234 1.379,1235 0.623,1236 1.416,1237 0.969,1238 0.87,1239 1.112,1240 1.238,1241 0.501,1242 1.282,1243 0.753,1244 0.677,1245 1.086,1246 1.038,1247 0.296,1248 1.008,1249 0.654,1250 0.589,1251 0.929,1252 0.956,1253 0.044,1254 0.944,1255 3.85,1257 5.209,1259 6.767,1261 8.416,1263 10.11,1265 2.022,1267 37.407,1271 3.759,1272 3.305,1273 4.337,1275 0.116,1277 -5.426,1280 24.771,1281 75.006,1282 137.309,1283 178.612,1284 191.367,1285 191.367,1286 191.367,1287 60.721,1288 6.579,1289 55.4,1290 63.78,1291 12,1292 12.326,1293 3.17,1294 2.585,1295 42.019,1296 67,1297 84,1298 0.315,1299 155.003,1300 281.31,1301 369.967,1302 5207,1303 7.5,1304 16.38,1305 0.745,1306 0.588,1307 14.13,1308 12.928,1309 10.243,1310 0.445,1311 0.37,1312 7.064,1313 8.955,1314 6.841,1315 5.66,1316 9.92,1317 8.5,1318 10.274,1319 0.302,1320 0.2,1321 10.083,1322 6.809,1323 7.681,1324 0.187,1325 0.112,1326 6.19,1327 4.575,1328 5.121,1329 0.111,1330 0.065,1331 5.466,1332 3.008,1333 4.515,1334 0.073,1335 0.039,1336 4.737,1337 2.388,1338 0.479,1339 73.944,1340 0.266,1341 21.339,1342 0.911,1343 114,1344 562.733,1345 187.525,1346 471.609,1347 598.45,1348 428,1349 132,1350 380.432,1351 201.887,1352 401.005,1353 611.84,1354 372,1355 6.772} {0 CHEMBL28437,1 1.757,2 8.84,3 6.224,4 38.739,5 91.696,6 7.745,7 0.231,8 3.973,9 4.077,10 3.712,11 3.476,12 4.977,13 3.433,14 4.62,15 4.793,16 4.148,17 3.839,18 6.209,19 3.802,20 4.881,21 5.099,22 4.136,23 4.006,24 6.485,25 3.929,26 4.885,27 5.119,28 3.963,29 4.103,30 5.762,31 3.97,32 5.032,33 5.272,34 4.059,35 4.181,36 6.021,37 4.038,38 5.118,39 5.383,40 4.034,41 4.118,42 6.185,43 3.99,44 5.026,45 5.294,46 3.881,47 3.915,48 6.189,49 3.804,50 4.744,51 4.999,52 3.661,53 3.646,54 5.981,55 3.536,56 0.154,57 0.878,58 13.366,59 5.612,60 35.515,61 6.377,62 1.181,63 1.755,64 27.942,65 8.952,66 206.281,67 10.754,68 1.646,69 1.424,70 32.967,71 10.489,72 263.334,73 14.286,74 0.58,75 1.512,76 32.589,77 12.057,78 67.566,79 16.003,80 0.742,81 1.754,82 40.431,83 14.43,84 99.04,85 18.561,86 1.001,87 1.882,88 47.246,89 14.343,90 153.02,91 18.652,92 1.267,93 1.738,94 43.559,95 12.365,96 184.274,97 15.241,98 1.161,99 1.35,100 35.802,101 9.568,102 155.21,103 10.982,104 72,105 38,106 0.304,107 0.543,108 0.743,109 0.794,110 0.794,111 0.794,112 3.267,113 1.149,114 -4.77,115 -4.68,116 -4.4,119 34.7,120 2,121 5,125 2,127 1,132 1,140 3,141 2,142 1,169 9,171 3,172 6,178 9,182 7,189 8,193 7,199 8,202 1,203 9,211 11,215 5,222 7,225 2,226 4,233 6,237 2,244 6,249 4,256 2,259 918,260 16.027,261 16.027,262 16.027,263 16.027,264 16.027,265 14.974,266 17.748,267 9.388,268 16.64,269 12.749,270 12.749,271 12.749,272 12.749,273 12.749,274 11.028,275 19.614,276 4.253,277 13.879,278 3.858,279 2.475,280 1.317,281 1.026,282 1.026,283 1.026,284 3.922,289 1,290 440,291 4.69,295 133.052,299 114.012,302 1.379,303 48.188,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 58,315 221,316 5.002,317 5.697,318 8.105,319 4.519,320 3.693,321 4.701,322 6.006,323 14.446,324 3.128,325 4.378,326 3.814,327 6.552,328 4.055,329 3.081,330 4.009,331 1.914,332 10.376,333 2.969,334 3.775,335 3.279,336 6.089,337 3.655,338 2.716,339 2.806,340 0.8,341 8.86,342 2.547,343 3.425,344 2.959,345 5.444,346 3.089,347 2.193,348 2.601,350 6.891,351 1.974,352 3.235,353 2.31,354 5.024,355 2.788,356 1.877,357 2.344,359 5.717,360 1.655,361 2.928,362 1.855,363 4.458,364 2.67,365 1.689,366 2.08,368 4.448,369 1.611,370 2.607,371 1.544,372 4.087,373 2.377,374 1.381,375 1.614,377 3.418,378 1.374,379 2.247,380 1.365,381 3.483,382 2.237,383 1.247,384 1.247,386 2.241,387 1.233,388 2.046,389 1.298,390 3.258,391 1.917,392 0.937,393 1.012,395 2.117,396 0.914,397 1.68,398 0.998,399 3.247,400 1.628,401 0.651,402 0.663,404 1.033,405 0.634,406 1.274,407 0.735,408 2.852,409 0.957,410 0.008,411 0.01,413 0.021,414 0.008,415 1,416 0.51,417 2.736,418 0.521,419 -0.445,420 -0.445,422 -0.632,423 -0.428,424 0.75,425 0.51,426 2.395,427 0.482,428 -0.503,429 -0.585,431 -1.173,432 -0.493,433 0.576,434 0.11,435 2.246,436 0.321,437 -0.672,438 -0.764,440 -1.832,441 -0.667,442 0.555,443 -0.148,444 2.151,446 -1,447 -1,449 -2.172,450 -0.7,451 11.59,452 0.464,453 0.894,454 0.036,455 25,456 1,457 9.5,458 0.38,459 15.5,460 0.62,461 26.723,462 1.069,463 31.01,464 0.633,465 20.704,466 0.828,467 4.367,468 0.175,469 7.325,470 0.293,471 0.218,472 0.115,473 0.207,478 3,479 0.505,480 1.172,481 0.782,482 1.467,483 0.599,484 1.177,485 0.359,486 0.856,487 0.631,488 1.104,489 0.374,490 1.02,491 0.277,492 0.677,493 0.588,494 0.762,495 0.174,496 0.896,497 0.438,498 0.696,499 0.774,500 0.979,501 0.282,502 1.069,503 0.498,504 0.83,505 0.831,506 1.096,507 0.442,508 1.102,509 0.723,510 0.923,511 0.851,512 1.028,513 0.731,514 0.981,515 1.086,516 0.996,517 0.918,518 0.861,519 1.109,520 0.906,521 1.326,522 0.984,523 1.247,524 0.989,525 1.354,526 0.963,527 7,528 0.099,529 4.222,530 1.5,531 1.627,532 1.264,533 0.816,534 0.613,535 0.374,536 0.231,537 5672,538 18931,539 1.888,540 49,541 8,542 8,547 8,550 1.686,551 1.705,552 3.16,553 -0.672,559 86.085,560 1.757,561 3.14,562 4.298,563 4.589,564 4.589,565 4.589,566 2.531,567 4.023,568 4.615,569 3.314,570 994.179,571 8.015,572 11894.6,577 275.121,578 1.791,579 4.512,580 0.269,581 0.008,582 0.111,583 0.037,584 0.045,585 0.033,586 0.023,587 0.021,588 0.017,589 0.014,590 0.579,591 0.33,592 1,593 1.726,594 118.915,595 0.052,596 -0.107,597 0.206,598 -0.127,599 -0.086,600 -0.014,601 0.492,602 0.158,603 0.284,604 -0.057,605 0.414,606 -0.001,607 0.502,608 0.158,609 0.208,610 0.117,611 0.521,612 0.083,613 0.021,614 -0.003,615 0.029,616 -0.011,617 0.073,618 -0.018,619 0.053,620 -0.114,621 0.048,622 -0.091,623 0.066,624 -0.047,625 -0.001,626 -0.153,627 0.075,628 -0.081,629 -0.001,630 0.027,631 -0.088,632 -0.093,633 0.026,634 0.02,635 -0.115,636 0.043,637 -0.125,638 0.109,639 -0.122,640 0.019,641 -0.176,642 -0.017,643 6.68,644 4.636,645 0.4,646 20.051,647 1.024,648 1.152,649 3.542,650 12.543,651 0.627,652 3.296,653 3.664,654 3.871,655 4.007,656 4.277,657 4.369,658 4.5,659 4.595,660 4.605,661 4.419,662 5.604,663 0.599,664 379.49,665 3.296,666 4.86,667 5.7,668 6.594,669 7.47,670 8.365,671 9.252,672 10.148,673 11.04,674 11.937,675 2,678 1,688 3,693 3,695 6,714 49,716 8,717 1,718 26,720 50,721 17,722 6,723 3,724 3,730 2,731 3,736 2,740 4,743 6,745 6,746 11,750 2,753 1,755 2,762 3,764 24,765 7,767 8,768 1,773 1,777 0.5,778 3,793 2,797 1,815 1,819 1,821 1,823 2,825 3,827 25,831 1,833 7,835 1,837 1,838 1,839 1,846 3,847 6.1,850 2,852 1,854 14.667,855 9.129,856 5.521,857 3.388,858 1.411,859 1.206,860 0.933,861 6.53,862 8.246,863 3.466,864 4.034,865 4.404,866 4.757,867 5.261,868 5.461,869 5.73,870 6.019,871 6.131,872 6.001,873 0.833,874 41,875 11.946,877 4.9135,878 8.4,879 17.438,881 14.541,883 2.9,884 72.5,888 282.506,889 88.452,890 3.124,892 52.858,893 44.88,894 7.75,895 80.702,896 335.365,897 48.005,898 17.65,899 16.884,900 36.179,901 44.313,902 68.165,904 282.506,905 6.125,906 282.506,907 83.827,908 97.739,909 7.75,911 188.338,912 147.027,913 44.88,914 6.125,915 37.659,916 40.043,917 7.75,919 327.387,920 55.983,921 88.452,923 7.75,924 288.631,925 28.499,926 49.203,928 97.739,929 282.506,930 100.863,931 88.452,933 0.589,934 0.341,935 0.159,936 0.093,937 17,938 9,939 0.14,940 7,941 1,942 1.2,943 3.408,944 202.181,945 0.2,946 10,947 103.342,950 1,951 20.224,952 8.072,953 4.752,955 100.863,956 4.66,961 1.232,964 471.822,965 31,968 -5.656,970 22.74,975 50.185,976 56.463,977 0.313,978 0.559,979 0.765,980 0.817,981 0.817,982 0.817,983 4.758,984 1.247,985 5.784,986 3.418,987 4.344,988 4.718,989 4.166,990 6.713,991 4.189,992 6.007,993 0.937,994 7.447,995 2.241,996 4.369,997 5.007,998 4.964,999 8.214,1000 3.996,1001 7.391,1002 0.651,1003 9.247,1004 2.117,1005 6.151,1006 7.017,1007 7.403,1008 11.249,1009 5.782,1010 8.821,1011 0.008,1012 11.13,1013 1.033,1014 6.957,1015 8.093,1016 8.78,1017 13.526,1018 6.349,1019 10.293,1020 -0.445,1021 13.069,1022 0.021,1023 8.361,1024 9.754,1025 10.87,1026 16.261,1027 7.714,1028 11.794,1029 -0.503,1030 15.045,1031 -0.632,1032 9.466,1033 11.113,1034 12.462,1035 18.795,1036 8.598,1037 13.317,1038 -0.672,1039 17.049,1040 -1.173,1041 10.768,1042 12.68,1043 14.399,1044 21.469,1045 9.807,1046 3.693,1047 -1,1048 19.074,1049 -1.832,1050 11.984,1051 14.141,1052 16.093,1053 24.088,1054 10.825,1055 3.081,1056 14.446,1057 21.114,1058 -2.172,1059 13.266,1060 15.682,1061 17.956,1062 26.753,1063 11.975,1064 2.716,1065 10.376,1066 23.165,1067 4.701,1068 14.527,1069 17.184,1070 19.7,1071 29.403,1072 13.05,1073 2.193,1074 8.86,1075 25.226,1076 4.009,1077 15.81,1078 18.719,1079 21.527,1080 32.068,1081 14.179,1082 1.877,1083 6.891,1084 27.294,1085 2.806,1086 17.09,1087 20.239,1088 23.296,1089 34.73,1090 15.279,1091 1.689,1092 5.717,1093 29.367,1094 2.601,1095 18.379,1096 21.774,1097 25.105,1098 37.397,1099 16.402,1100 1.381,1101 4.448,1102 31.444,1103 2.344,1104 19.668,1105 23.304,1106 26.886,1107 40.064,1108 17.514,1109 5975,1110 11504,1111 15.89,1112 30.728,1113 38.96,1114 40.029,1115 41.032,1116 39.224,1117 38.946,1118 46.175,1119 17.44,1120 119.135,1121 36.095,1122 5.948,1123 7.697,1124 7.907,1125 5.583,1126 5.693,1127 7.701,1128 10.217,1129 22.708,1130 5.128,1131 16.65,1132 1.498,1133 1.54,1134 1.578,1135 1.509,1136 1.498,1137 1.776,1138 0.671,1139 4.582,1140 1.388,1141 4.067,1142 4.074,1143 4.739,1144 3.99,1145 8.518,1146 3.967,1147 3.904,1148 3.865,1149 3.935,1150 3.825,1151 7.999,1152 3.716,1153 3.735,1154 3.787,1155 3.616,1156 3.585,1157 7.999,1158 3.578,1159 3.501,1160 3.586,1161 3.293,1162 3.348,1163 7.707,1164 3.32,1165 3.457,1166 3.521,1167 3.279,1168 3.337,1169 6.999,1170 3.316,1171 3.145,1172 3.225,1173 3.088,1174 2.988,1175 4.782,1176 2.973,1177 2.999,1178 3.093,1179 2.951,1180 2.788,1181 4.317,1182 2.774,1183 2.915,1184 2.934,1185 2.777,1186 2.584,1187 4.132,1188 2.569,1189 0.192,1190 0.219,1191 0.312,1192 0.174,1193 0.142,1194 5.002,1195 0.181,1196 5.697,1197 0.231,1198 8.105,1199 0.556,1200 4.519,1201 0.12,1202 3.693,1203 4.701,1204 6.006,1205 14.446,1206 3.128,1207 2.001,1208 1.979,1209 2.125,1210 2.102,1211 1.462,1212 2.114,1213 1.732,1214 1.705,1215 1.96,1216 1.919,1217 1.221,1218 1.937,1219 1.597,1220 1.638,1221 1.861,1222 1.8,1223 1.09,1224 1.817,1225 1.539,1226 1.459,1227 1.728,1228 1.738,1229 0.923,1230 1.785,1231 1.47,1232 1.418,1233 1.482,1234 1.632,1235 0.764,1236 1.661,1237 1.155,1238 1.081,1239 1.383,1240 1.379,1241 0.623,1242 1.418,1243 1.009,1244 0.911,1245 1.24,1246 1.26,1247 0.556,1248 1.306,1249 0.758,1250 0.682,1251 1.112,1252 1.062,1253 0.403,1254 1.131,1255 3.97,1257 5.323,1259 6.878,1261 8.526,1263 10.219,1265 4.174,1267 37.907,1271 5.915,1273 4.441,1275 0.186,1276 2.331,1277 -5.43,1280 29.351,1281 86.085,1282 153.863,1283 210.591,1284 224.856,1285 224.856,1286 224.856,1287 74.999,1288 6.835,1289 46.61,1290 54.99,1291 12,1292 12.462,1293 3.17,1294 2.585,1295 51.306,1296 82,1297 84,1298 0.31,1299 183.78,1300 333.21,1301 440.183,1302 7122,1303 6.1,1304 18.665,1305 0.747,1306 0.612,1307 16.415,1308 15.29,1309 11.692,1310 0.45,1311 0.383,1312 8.512,1313 10.373,1314 8.21,1315 6.835,1316 11.369,1317 9.956,1318 11.363,1319 0.299,1320 0.207,1321 11.173,1322 7.847,1323 8.632,1324 0.184,1325 0.115,1326 7.141,1327 5.404,1328 6.095,1329 0.113,1330 0.071,1331 6.44,1332 3.83,1333 5.165,1334 0.073,1335 0.042,1336 5.387,1337 2.947,1338 0.473,1339 82.756,1340 0.251,1341 23.774,1342 0.896,1343 128,1344 582.045,1345 202.218,1346 490.284,1347 626.01,1348 446,1349 149,1350 402.488,1351 220.052,1352 423.225,1353 645.77,1354 393,1355 6.896} {0 CHEMBL285402,1 1.48,2 20.833,3 4.278,4 18.305,5 190.663,6 6.924,7 0.407,8 4.636,9 4.763,10 4.157,11 4.135,12 5.618,13 4.112,14 5.237,15 5.436,16 4.518,17 4.554,18 6.158,19 4.514,20 5.51,21 5.721,22 4.619,23 4.781,24 6.452,25 4.695,26 5.615,27 5.847,28 4.538,29 4.813,30 6.484,31 4.686,32 5.652,33 5.917,34 4.522,35 4.739,36 6.531,37 4.619,38 5.489,39 5.719,40 4.47,41 4.656,42 6.398,43 4.558,44 5.429,45 5.645,46 4.426,47 4.626,48 6.406,49 4.524,50 5.463,51 5.706,52 4.361,53 4.588,54 6.416,55 4.46,56 0.033,57 1.404,58 21.388,59 8.581,60 10.052,61 11.999,62 0.541,63 2.34,64 42.452,65 13.359,66 34.984,67 19.731,68 0.944,69 2.894,70 56.464,71 19.697,72 71.609,73 27.982,74 0.434,75 3.016,76 62.622,77 23.943,78 64.351,79 33.765,80 0.903,81 2.94,82 67.869,83 23.066,84 97.155,85 33.236,86 0.695,87 2.615,88 56.427,89 19.485,90 68.521,91 27.486,92 0.564,93 2.526,94 52.262,95 18.667,96 81.866,97 26.261,98 0.94,99 2.509,100 55.38,101 19.509,102 94.181,103 27.852,104 17,105 76,106 0.217,107 0.44,108 0.573,109 0.669,110 0.7,111 0.7,112 3.894,113 0.953,114 -3.58,115 -3.55,116 -3.38,119 40.4,124 2,125 14,140 12,141 4,142 4,156 2,169 14,171 2,172 8,178 18,181 7,182 10,189 16,193 6,199 6,202 4,203 18,211 2,214 2,215 16,225 1,226 8,236 8,237 14,248 1,249 8,259 5472,260 32.894,261 32.894,262 32.894,263 32.894,264 32.894,265 30.164,266 42.988,267 19.226,268 33.756,269 26.639,270 26.639,271 26.639,272 26.639,273 26.639,274 22.284,275 58.912,276 9.136,277 27.97,278 5.075,279 3.554,280 2.644,281 1.995,282 1.782,283 1.782,284 4.615,289 1,290 2240,291 4.123,295 1109.04,299 521.051,302 3.194,303 40.107,306 0.75,307 0.5,308 0.83,309 0.9,310 1,311 0.83,312 1,313 0.83,314 103,315 1000,316 4.558,317 3.766,318 6.702,319 4.122,320 3.146,321 4.479,322 2.055,323 10.889,324 3.076,325 4.558,326 3.712,327 6.702,328 4.122,329 3.146,330 4.479,331 2.055,332 10.889,333 3.076,334 4.024,335 3.287,336 6.093,337 3.834,338 2.885,339 3.229,340 0.933,341 8.795,342 2.732,343 3.891,344 3.287,345 5.942,346 3.632,347 2.676,348 3.212,349 0.933,350 8.283,351 2.554,352 3.828,353 2.9,354 5.797,355 3.561,356 2.621,357 3.136,358 0.8,359 7.962,360 2.46,361 3.804,362 2.894,363 5.797,364 3.547,365 2.597,366 3.03,367 0.8,368 7.955,369 2.454,370 3.585,371 2.687,372 5.258,373 3.26,374 2.331,375 2.921,376 0.8,377 6.666,378 2.161,379 3.574,380 2.675,381 5.253,382 3.244,383 2.312,384 2.904,385 0.8,386 6.648,387 2.15,388 3.339,389 2.512,390 5.045,391 3.09,392 2.151,393 2.416,394 0.51,395 6.04,396 2.017,397 3.339,398 2.418,399 5.045,400 3.082,401 2.141,402 2.416,403 0.51,404 6.04,405 2.012,406 2.949,407 2.403,408 4.582,409 2.673,410 1.677,411 2.125,413 4.492,414 1.654,415 2.927,416 1.992,417 4.581,418 2.514,419 1.548,420 2.12,422 4.486,423 1.492,424 2.89,425 1.665,426 4.358,427 2.513,428 1.547,429 1.899,431 4.259,432 1.49,433 2.781,434 1.665,435 4.036,436 2.41,437 1.428,438 1.834,440 3.444,441 1.399,442 2.779,443 1.531,444 3.983,445 2.396,446 1.405,447 1.831,449 3.336,450 1.389,451 22.733,452 0.474,453 1.109,454 0.023,455 58,456 1.208,457 25,458 0.521,459 33,460 0.688,461 49.731,462 1.036,463 52.867,464 0.562,465 51.789,466 1.079,467 11.657,468 0.243,469 11.75,470 0.245,471 0.073,473 0.326,479 0.796,480 1.593,481 0.827,482 1.253,483 0.554,484 1.073,485 1.24,486 1.007,487 0.988,488 0.838,489 0.64,490 0.847,491 1.04,492 0.893,493 1.093,494 0.967,495 0.923,496 1.016,497 0.909,498 1.183,499 1.033,500 1.219,501 1.163,502 1.163,503 1.078,504 0.876,505 0.887,506 0.883,507 1.131,508 0.87,509 1.294,510 1.002,511 1.037,512 1.003,513 1.106,514 0.994,515 1.191,516 1.188,517 1.115,518 1.183,519 1.019,520 1.151,521 0.897,522 1.043,523 1.014,524 1.089,525 1.056,526 1.083,527 9,528 0.214,529 6.222,530 2.5,531 2.56,532 1.667,533 1.127,534 0.694,535 0.673,536 0.527,537 55836,538 118748,539 2.161,540 48.9,542 46,550 1.835,551 2.057,552 4.283,553 -0.787,559 139.116,560 1.48,561 3.001,562 3.91,563 4.56,564 4.773,565 4.773,566 3.689,567 4.22,568 5.56,569 4.5,570 5076.18,571 9.828,572 110859,577 616.131,578 1.281,579 5.532,580 0.167,581 0.004,582 0.082,583 0.031,584 0.036,585 0.023,586 0.017,587 0.011,588 0.012,589 0.01,590 0.391,591 0.33,592 0.63,593 0.415,594 294.498,595 0.014,596 -0.346,597 0.093,598 -0.141,599 0.004,600 -0.036,601 -0.11,602 0.174,603 0.008,604 0.136,605 0.011,606 0.105,607 0.044,608 0.201,609 -0.106,610 0.037,611 0.033,612 -0.036,613 -0.027,614 -0.202,615 -0.071,616 -0.175,617 -0.073,618 -0.138,619 0.048,620 0.049,621 0.124,622 0.095,623 0.011,624 0.115,625 -0.071,626 -0.014,627 -0.029,628 -0.004,629 -0.054,630 -0.011,631 -0.051,632 -0.172,633 -0.124,634 -0.163,635 0.051,636 -0.155,637 0.211,638 -0.081,639 -0.016,640 -0.09,641 0.107,642 -0.091,643 1.738,644 6.086,645 0.792,646 75.333,647 0.996,648 1.129,649 2.347,650 5.509,651 0.65,652 4.007,653 4.344,654 4.635,655 4.89,656 5.187,657 5.263,658 5.407,659 5.517,660 5.652,661 5.707,662 11.889,663 0.612,664 650.9,665 4.007,666 5.565,667 6.425,668 7.303,669 8.178,670 9.06,671 9.94,672 10.824,673 11.707,674 12.592,675 6.4,678 2,681 2,682 2,687 4,688 12,693 4,695 22,709 2,712 2,714 94,716 24,717 4,718 54,720 100,721 38,722 20,723 8,724 12,730 7,731 9,745 22,746 16,750 2,755 2,759 2,764 46,765 10,767 10,773 6,777 0.714,778 4,793 7,797 2,806 2,815 2,819 5,823 2,827 48,833 14,835 2,838 6,847 4.3,850 2,852 2,854 23.333,855 17.367,856 10.389,857 5.8,858 4.555,859 1.461,860 1.001,861 10.24,862 14.428,863 4.22,864 4.787,865 5.361,866 5.932,867 6.537,868 6.844,869 7.249,870 7.622,871 7.987,872 7.979,873 0.929,874 81,875 17.915,877 7.681,878 7.556,879 35.144,881 29.643,883 2.056,884 98.667,888 541.471,889 200.662,890 18.746,892 72.29,895 200.662,896 613.76,897 18.746,898 16.793,899 40.702,900 113.715,901 59.699,902 60.789,904 541.471,906 541.471,907 219.408,908 72.29,911 541.471,912 72.29,915 46.95,916 172.458,919 541.471,920 91.036,921 200.662,924 541.471,925 70.155,926 149.254,928 72.29,929 541.471,930 91.036,931 200.662,933 0.586,934 0.344,935 0.182,936 0.106,937 37,938 16,939 0.08,940 8,941 2,942 1.105,943 5.805,944 507.625,945 0.105,946 38,947 208.078,951 32.963,952 14.911,953 7.703,954 4.595,955 91.036,956 24.859,961 3.789,964 833.169,965 67,970 26.173,974 -0.142,975 93.592,976 106.131,977 0.226,978 0.458,979 0.597,980 0.696,981 0.728,982 0.728,983 5.483,984 2.312,985 6.405,986 6.666,987 5.03,988 5.476,989 3.158,990 7.21,991 4.94,992 6.661,993 2.151,994 7.96,995 6.648,996 4.575,997 5.278,998 2.41,999 8.095,1000 4.438,1001 7.958,1002 2.141,1003 9.613,1004 6.04,1005 6.624,1006 7.642,1007 4.019,1008 11.189,1009 6.45,1010 9.287,1011 1.677,1012 11.324,1013 6.04,1014 6.986,1015 8.314,1016 3.982,1017 12.918,1018 6.777,1019 10.653,1020 1.548,1021 13.074,1022 4.492,1023 8.486,1024 10.172,1025 5.25,1026 15.531,1027 8.245,1028 12.042,1029 1.547,1030 14.85,1031 4.486,1032 9.232,1033 11.271,1034 5.545,1035 17.622,1036 8.968,1037 13.451,1038 1.428,1039 16.647,1040 4.259,1041 10.505,1042 12.924,1043 6.593,1044 20.075,1045 10.213,1046 3.146,1047 1.405,1048 18.46,1049 3.444,1050 11.443,1051 14.235,1052 7.063,1053 22.327,1054 11.133,1055 3.146,1056 10.889,1057 20.285,1058 3.336,1059 12.62,1060 15.799,1061 7.98,1062 24.727,1063 12.287,1064 2.885,1065 10.889,1066 22.12,1067 4.479,1068 13.653,1069 17.212,1070 8.549,1071 27.05,1072 13.304,1073 2.676,1074 8.795,1075 23.965,1076 4.479,1077 14.794,1078 18.739,1079 9.389,1080 29.436,1081 14.425,1082 2.621,1083 8.283,1084 25.816,1085 3.229,1086 15.875,1087 20.199,1088 10.017,1089 31.792,1090 15.49,1091 2.597,1092 7.962,1093 27.674,1094 3.212,1095 17.004,1096 21.71,1097 10.81,1098 34.174,1099 16.6,1100 2.331,1101 7.955,1102 29.537,1103 3.136,1104 18.11,1105 23.191,1106 11.474,1107 36.545,1108 17.689,1109 50512,1110 73936,1111 36.986,1112 61.08,1113 81.474,1114 83.159,1115 83.104,1116 80.989,1117 80.957,1118 99.67,1119 20.393,1120 233.133,1121 77.372,1122 5.558,1123 5.766,1124 6.232,1125 5.211,1126 5.146,1127 7.479,1128 3.661,1129 18.043,1130 5.076,1131 20.412,1132 1.509,1133 1.54,1134 1.539,1135 1.5,1136 1.499,1137 1.846,1138 0.378,1139 4.317,1140 1.433,1141 4.131,1142 4.157,1143 4.085,1144 4.069,1145 7.429,1146 4.07,1147 4.08,1148 4.102,1149 4.04,1150 4.03,1151 7.425,1152 4.029,1153 3.869,1154 3.929,1155 3.783,1156 3.655,1157 4.955,1158 3.677,1159 3.796,1160 3.867,1161 3.679,1162 3.604,1163 4.916,1164 3.613,1165 3.786,1166 3.859,1167 3.672,1168 3.591,1169 4.557,1170 3.601,1171 3.592,1172 3.614,1173 3.524,1174 3.403,1175 4.553,1176 3.419,1177 3.504,1178 3.538,1179 3.414,1180 3.379,1181 4.371,1182 3.379,1183 3.412,1184 3.454,1185 3.333,1186 3.245,1187 4.347,1188 3.268,1189 0.084,1190 0.07,1191 0.124,1192 0.076,1193 0.058,1194 4.558,1195 0.083,1196 3.766,1197 0.038,1198 6.702,1199 0.202,1200 4.122,1201 0.057,1202 3.146,1203 4.479,1204 2.055,1205 10.889,1206 3.076,1207 2.074,1208 2.056,1209 2.15,1210 2.149,1211 1.349,1212 2.151,1213 2.073,1214 2.056,1215 2.15,1216 2.148,1217 1.349,1218 2.15,1219 1.785,1220 1.724,1221 1.973,1222 2.024,1223 1.279,1224 2.011,1225 1.746,1226 1.674,1227 1.958,1228 1.964,1229 1.216,1230 1.968,1231 1.744,1232 1.672,1233 1.956,1234 1.96,1235 1.216,1236 1.966,1237 1.508,1238 1.479,1239 1.67,1240 1.736,1241 0.825,1242 1.707,1243 1.476,1244 1.441,1245 1.648,1246 1.644,1247 0.825,1248 1.644,1249 1.365,1250 1.327,1251 1.56,1252 1.551,1253 0.825,1254 1.557,1255 4.691,1257 6.023,1259 7.554,1261 9.173,1263 10.837,1265 4.319,1271 9.941,1273 12.018,1276 13.116,1280 57.524,1281 139.116,1282 282.099,1283 367.563,1284 428.622,1285 448.622,1286 448.622,1287 84.482,1288 9.873,1289 72.04,1290 72.04,1291 42,1292 13.125,1293 4.644,1294 3.807,1295 69.218,1296 356,1297 310,1298 0.092,1299 345.148,1300 605.32,1301 833.92,1302 439218,1304 33.037,1305 0.688,1306 0.586,1307 33.037,1308 28.144,1309 23.407,1310 0.433,1311 0.318,1312 16.867,1313 22.391,1314 16.46,1315 13.506,1316 23.407,1317 17.149,1318 21.22,1319 0.279,1320 0.174,1321 21.22,1322 13.24,1323 18.457,1324 0.181,1325 0.099,1326 18.457,1327 10.059,1328 15.018,1329 0.114,1330 0.053,1331 15.018,1332 6.974,1333 13.107,1334 0.074,1335 0.029,1336 13.107,1337 5.178,1338 0.154,1339 147.107,1340 0.164,1341 42.776,1342 0.232,1343 260,1344 688.813,1345 284.67,1346 655.127,1347 904.76,1348 620,1349 308,1350 664.971,1351 335.447,1352 671.709,1353 988.54,1354 632,1355 8.907} {0 CHEMBL28607,1 1.462,2 11.458,3 2.719,4 7.392,5 96.495,6 7.01,7 0.593,8 3.934,9 4.065,10 3.472,11 3.447,12 4.944,13 3.426,14 4.491,15 4.686,16 3.798,17 3.842,18 5.417,19 3.8,20 4.701,21 4.921,22 3.808,23 3.992,24 5.549,25 3.899,26 4.789,27 5.038,28 3.644,29 4.007,30 5.55,31 3.856,32 4.803,33 5.095,34 3.512,35 3.926,36 5.488,37 3.744,38 4.651,39 4.934,40 3.437,41 3.757,42 5.347,43 3.602,44 4.501,45 4.776,46 3.306,47 3.57,48 5.269,49 3.448,50 4.306,51 4.562,52 3.136,53 3.471,54 5.107,55 3.327,56 0.033,57 0.705,58 10.309,59 4,60 7.989,61 5.649,62 0.231,63 1.144,64 19.639,65 6.314,66 18.944,67 9.212,68 0.232,69 1.35,70 24.43,71 8.532,72 20.461,73 12.473,74 0.227,75 1.39,76 27.113,77 10.095,78 22.03,79 14.754,80 0.273,81 1.334,82 28.389,83 10.367,84 24.857,85 15.564,86 0.174,87 1.159,88 24.299,89 8.373,90 17.767,91 12.708,92 0.304,93 0.986,94 21.434,95 6.33,96 21.074,97 9.551,98 0.26,99 0.812,100 17.198,101 6.011,102 18.845,103 8.679,104 3,105 37,106 0.251,107 0.591,108 0.745,109 0.817,110 0.817,111 0.817,112 3.228,113 0.929,114 -3.41,115 -3.39,116 -3.24,119 41.3,124 1,125 5,140 6,141 2,142 2,143 1,149 1,159 1,169 5,172 7,174 1,176 2,178 4,181 1,182 7,186 1,189 3,193 1,195 1,197 1,202 2,203 4,215 3,226 1,229 1,233 2,236 2,237 1,244 4,254 2,256 4,259 762,260 16.817,261 16.817,262 16.817,263 16.817,264 16.817,265 14.961,266 20.13,267 9.948,268 17.335,269 13.28,270 13.28,271 13.28,272 13.28,273 13.28,274 10.496,275 29.13,276 4.649,277 14.021,278 4.061,279 2.079,280 1.18,281 0.756,282 0.756,283 0.756,284 3.933,287 1,288 1,289 1,290 612,291 2.345,294 54.101,295 220.763,298 101.556,302 1.92,303 10.756,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 51,315 275,316 4.527,317 3.224,318 6.535,319 4.05,320 3.077,321 4.474,322 0.916,323 10.309,324 2.999,325 4.142,326 3.111,327 6.149,328 3.829,329 2.885,330 3.691,331 0.86,332 9.079,333 2.724,334 3.708,335 2.812,336 5.438,337 3.438,338 2.503,339 2.947,340 0.8,341 7.195,342 2.335,343 3.53,344 2.67,345 5.291,346 3.243,347 2.319,348 2.811,349 0.172,350 6.748,351 2.141,352 3.231,353 2.054,354 4.978,355 2.849,356 1.894,357 2.368,359 5.599,360 1.804,361 3.045,362 1.702,363 4.342,364 2.511,365 1.546,366 2.317,368 4.094,369 1.488,370 2.695,371 1.546,372 4.15,373 2.402,374 1.463,375 1.748,377 3.702,378 1.367,379 2.583,380 1.208,381 3.583,382 2.116,383 1.149,384 1.607,386 2.745,387 1.109,388 2.5,389 1.146,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.077,398 1.043,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2,407 1,408 3.167,409 1.582,410 0.649,411 0.902,413 1.503,414 0.604,415 1.655,416 0.729,417 2.882,418 1.38,419 0.508,420 0.567,422 0.806,423 0.439,424 1.163,425 0.186,426 2.705,427 0.947,433 0.812,434 -0.145,435 2.288,436 0.478,437 -0.464,438 -0.551,440 -0.999,441 -0.432,442 0.663,443 -0.541,444 2,445 0.195,446 -0.757,447 -0.912,449 -1.705,450 -0.715,451 11.433,452 0.476,453 0.427,454 0.018,455 31.5,456 1.313,457 15,458 0.625,459 16.5,460 0.688,461 17.83,462 0.743,463 25.767,464 0.56,465 20.308,466 0.846,467 6.415,468 0.267,469 5.416,470 0.226,471 0.044,473 0.289,479 0.959,480 1.504,481 0.827,482 1.173,483 0.797,484 1.011,485 1.486,486 1.032,487 1.004,488 0.849,489 1.03,490 0.858,491 1.094,492 1.099,493 1.085,494 1.062,495 0.841,496 1.066,497 0.797,498 1.089,499 1.122,500 1.175,501 0.937,502 1.187,503 0.444,504 0.93,505 0.91,506 1.009,507 0.73,508 1.013,509 0.716,510 1.107,511 0.929,512 1.065,513 0.76,514 1.025,515 1.565,516 0.817,517 1.126,518 0.827,519 1.453,520 0.905,521 1.148,522 0.839,523 1.118,524 0.966,525 1.339,526 1.039,527 4,528 0.061,529 2.667,530 1.167,531 0.742,532 0.681,533 0.332,534 0.161,535 0.197,536 0.111,537 7420,538 17197,539 2.187,540 47.8,542 19,543 1,544 1,545 1,550 1.661,551 2.118,552 3.464,553 -0.342,554 1,555 1,559 67.266,560 1.462,561 3.445,562 4.344,563 4.768,564 4.768,565 4.768,566 2.939,567 4.137,568 4.555,569 3.621,570 999.342,571 7.822,572 11991.5,574 1,576 1,577 254.084,578 1.099,579 4.546,580 0.148,581 0.004,582 0.072,583 0.032,584 0.026,585 0.027,586 0.014,587 0.008,588 0.012,589 0.007,590 0.35,591 0.5,592 1,593 0.573,594 115.913,595 0.002,596 -0.299,597 0.087,598 -0.118,599 0.087,600 -0.023,601 -0.183,602 0.11,603 -0.02,604 0.114,605 -0.019,606 0.075,607 -0.111,608 -0.031,609 -0.126,610 -0.076,611 0.024,612 -0.098,613 -0.051,614 -0.106,615 -0.176,616 -0.17,617 -0.137,618 -0.187,619 0.149,620 -0.02,621 0.049,622 -0.02,623 -0.004,624 -0.002,625 0.034,626 -0.177,627 0.044,628 -0.095,629 0.01,630 -0.034,631 -0.202,632 0.154,633 -0.094,634 0.081,635 -0.255,636 0.02,637 -0.005,638 0.11,639 -0.127,640 0.012,641 -0.184,642 -0.064,643 0.759,644 1.733,645 0.875,646 21.896,647 0.993,648 1.129,649 2.177,650 4.74,651 0.659,652 3.332,653 3.638,654 3.932,655 4.174,656 4.382,657 4.419,658 4.543,659 4.615,660 4.673,661 4.804,662 6.554,663 0.62,664 322.45,665 3.332,666 4.86,667 5.714,668 6.581,669 7.447,670 8.319,671 9.19,672 10.064,673 10.936,674 11.811,675 8.7,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,712 1,714 46,716 16,717 1,718 27,720 49,721 19,722 13,723 2,724 4,730 4,731 5,745 13,746 6,760 1,761 1,764 22,765 4,766 1,767 5,773 4,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 24,833 5,835 1,838 2,847 2.2,852 1,854 11.333,855 8.433,856 5.333,857 2.715,858 2.978,859 1.402,860 1.017,861 4.409,862 10.388,863 3.584,864 4.171,865 4.774,866 5.342,867 5.808,868 5.985,869 6.292,870 6.539,871 6.405,872 6.682,873 0.875,874 36,875 8.849,877 3.69,878 7.451,879 17.478,881 14.471,883 1.951,884 46.833,887 1,888 247.193,889 111.838,890 39.82,892 11,895 111.838,896 258.193,897 39.82,898 10.883,899 10.529,900 65.905,901 30.272,902 56.84,903 11.771,904 223.651,906 247.193,907 151.658,908 11,911 247.193,912 11,915 41.201,916 93.671,917 16.786,919 247.193,920 50.82,921 111.838,924 247.193,925 26.003,926 92.084,927 16.786,928 27.785,929 247.193,930 50.82,931 111.838,933 0.574,934 0.344,935 0.184,936 0.098,937 19,938 7,939 0.082,940 4,941 1,942 1.095,943 3.804,944 193.999,945 0.095,946 21,947 102.039,951 15.486,952 6.833,953 3.284,954 2.208,955 34.034,956 16.397,957 4.368,958 3.263,961 3.507,963 16.786,964 409.851,965 35,975 45.687,976 51.939,977 0.265,978 0.624,979 0.786,980 0.863,981 0.863,982 0.863,983 4.804,984 1.149,985 5.673,986 3.702,987 4.317,988 4.856,989 1.598,990 6.457,991 4.217,992 5.981,993 1,994 7.21,995 2.745,996 3.761,997 4.543,998 0.57,999 7.298,1000 3.606,1001 7.271,1002 1,1003 8.845,1004 2.275,1005 5.883,1006 7.051,1007 1.256,1008 10.375,1009 5.692,1010 8.599,1011 0.649,1012 10.541,1013 2.275,1014 6.196,1015 7.664,1016 0.581,1017 12.076,1018 5.957,1019 9.963,1020 0.508,1021 12.276,1022 1.503,1023 7.728,1024 9.59,1025 1.023,1026 14.642,1027 7.46,1028 11.353,1030 14.038,1031 0.806,1032 8.447,1033 10.652,1034 0.515,1035 16.694,1036 8.142,1037 12.764,1038 -0.464,1039 15.82,1041 9.729,1042 12.331,1043 0.84,1044 19.091,1045 9.396,1046 3.077,1047 -0.757,1048 17.617,1049 -0.999,1050 10.646,1051 13.617,1052 0.441,1053 21.291,1054 10.284,1055 2.885,1056 10.309,1057 19.426,1058 -1.705,1059 11.82,1060 15.187,1061 0.689,1062 23.631,1063 11.431,1064 2.503,1065 9.079,1066 21.244,1067 4.474,1068 12.833,1069 16.58,1070 0.373,1071 25.896,1072 12.418,1073 2.319,1074 7.195,1075 23.07,1076 3.691,1077 13.962,1078 18.104,1079 0.564,1080 28.217,1081 13.521,1082 1.894,1083 6.748,1084 24.902,1085 2.947,1086 15.022,1087 19.55,1088 0.314,1089 30.511,1090 14.557,1091 1.546,1092 5.599,1093 26.739,1094 2.811,1095 16.134,1096 21.054,1097 0.461,1098 32.829,1099 15.644,1100 1.463,1101 4.094,1102 28.581,1103 2.368,1104 17.217,1105 22.525,1106 0.264,1107 35.137,1108 16.704,1109 6904,1110 10598,1111 18.781,1112 30.33,1113 40.277,1114 40.237,1115 40.909,1116 39.979,1117 39.985,1118 51.863,1119 5.498,1120 112.66,1121 37.947,1122 5.527,1123 5.224,1124 6.217,1125 5.118,1126 5.077,1127 7.474,1128 1.776,1129 17.046,1130 4.999,1131 6.683,1132 1.492,1133 1.49,1134 1.515,1135 1.481,1136 1.481,1137 1.921,1138 0.204,1139 4.173,1140 1.405,1141 4.114,1142 4.158,1143 4.073,1144 3.999,1145 5.06,1146 4.012,1147 3.948,1148 3.989,1149 3.885,1150 3.845,1151 4.87,1152 3.85,1153 3.725,1154 3.783,1155 3.617,1156 3.547,1157 4.447,1158 3.555,1159 3.409,1160 3.47,1161 3.305,1162 3.271,1163 4.364,1164 3.271,1165 3.256,1166 3.324,1167 3.107,1168 2.982,1169 4.211,1170 3,1171 3.111,1172 3.206,1173 2.92,1174 2.941,1175 3.906,1176 2.91,1177 3.092,1178 3.19,1179 2.866,1180 2.839,1181 3.674,1182 2.847,1183 2.854,1184 2.925,1185 2.698,1186 2.735,1187 3.644,1188 2.715,1189 0.168,1190 0.119,1191 0.242,1192 0.15,1193 0.114,1194 4.527,1195 0.166,1196 3.224,1197 0.034,1198 6.535,1199 0.382,1200 4.05,1201 0.111,1202 3.077,1203 4.474,1204 0.916,1205 10.309,1206 2.999,1207 1.919,1208 1.884,1209 2.047,1210 2.067,1211 1.326,1212 2.065,1213 1.877,1214 1.848,1215 1.968,1216 1.995,1217 1.105,1218 1.986,1219 1.709,1220 1.646,1221 1.886,1222 1.899,1223 1.016,1224 1.898,1225 1.496,1226 1.434,1227 1.673,1228 1.708,1229 0.825,1230 1.704,1231 1.195,1232 1.121,1233 1.565,1234 1.506,1235 0.797,1236 1.524,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.574,1242 1.429,1243 1.101,1244 1.025,1245 1.352,1246 1.348,1247 0.432,1248 1.362,1249 0.886,1250 0.821,1251 1.181,1252 1.088,1253 0.297,1254 1.107,1255 4.007,1257 5.313,1258 2.398,1259 6.823,1260 4.727,1261 8.417,1262 6.823,1263 10.051,1265 1.702,1271 5.208,1273 5.233,1276 4.947,1280 28.542,1281 67.266,1282 158.468,1283 199.819,1284 219.329,1285 219.329,1286 219.329,1287 24.867,1288 7.41,1289 44.39,1290 44.39,1291 23,1292 12.351,1293 4.087,1294 3.17,1295 34.177,1296 96,1297 98,1298 0.176,1299 174.133,1300 289.43,1301 416.645,1302 17203,1304 16.355,1305 0.681,1306 0.579,1307 16.355,1308 13.904,1309 11.831,1310 0.438,1311 0.31,1312 8.22,1313 11.336,1314 8.022,1315 6.629,1316 11.831,1317 8.357,1318 10.251,1319 0.277,1320 0.167,1321 10.251,1322 6.175,1323 9.145,1324 0.183,1325 0.095,1326 9.145,1327 4.741,1328 7.542,1329 0.118,1330 0.052,1331 7.542,1332 3.342,1333 6.074,1334 0.077,1335 0.029,1336 6.074,1337 2.326,1338 0.282,1339 74.196,1340 0.231,1341 23.838,1342 0.466,1343 128,1344 325.004,1345 138.872,1346 315.101,1347 443.41,1348 300,1349 151,1350 332.912,1351 163.039,1352 339.609,1353 495.12,1354 319,1355 5} {0 CHEMBL28651,1 1.462,2 11.458,3 3.277,4 10.739,5 102.938,6 7.359,7 0.593,8 3.924,9 4.055,10 3.552,11 3.52,12 4.9,13 3.456,14 4.477,15 4.671,16 3.863,17 3.919,18 5.363,19 3.829,20 4.692,21 4.912,22 3.87,23 4.051,24 5.509,25 3.923,26 4.783,27 5.031,28 3.684,29 4.044,30 5.526,31 3.871,32 4.801,33 5.093,34 3.557,35 3.94,36 5.474,37 3.752,38 4.647,39 4.93,40 3.52,41 3.811,42 5.323,43 3.628,44 4.484,45 4.759,46 3.415,47 3.682,48 5.207,49 3.493,50 4.289,51 4.543,52 3.22,53 3.548,54 5.044,55 3.357,56 0.045,57 0.715,58 10.579,59 4.313,60 7.749,61 5.821,62 0.197,63 1.202,64 22.043,65 7.43,66 15.678,67 9.861,68 0.213,69 1.409,70 26.232,71 9.499,72 18.107,73 12.997,74 0.207,75 1.448,76 28.771,77 10.967,78 20.419,79 15.215,80 0.229,81 1.395,82 29.49,83 10.878,84 23.363,85 15.737,86 0.172,87 1.223,88 25.517,89 9.299,90 17.521,91 13.131,92 0.241,93 1.094,94 25.394,95 8.066,96 17.498,97 10.584,98 0.166,99 0.892,100 20.75,101 7.126,102 14.702,103 9.416,104 3,105 37,106 0.251,107 0.591,108 0.745,109 0.817,110 0.817,111 0.817,112 3.228,113 1.065,114 -4.19,115 -4.14,116 -3.91,119 41.3,124 1,125 5,140 6,141 2,142 2,143 1,149 1,159 1,169 5,172 5,174 1,176 2,178 6,181 1,182 5,186 1,189 5,193 1,195 1,197 1,202 1,203 5,215 3,226 1,229 1,233 2,236 1,237 2,244 4,254 2,256 4,259 762,260 16.817,261 16.817,262 16.817,263 16.817,264 16.817,265 14.961,266 18.146,267 9.948,268 17.445,269 13.28,270 13.28,271 13.28,272 13.28,273 13.28,274 10.496,275 25.835,276 4.649,277 14.136,278 4.061,279 2.079,280 1.18,281 0.756,282 0.756,283 0.756,284 3.933,287 1,288 1,289 1,290 612,291 2.345,294 54.101,295 220.763,298 101.556,302 1.92,303 8.916,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 50,315 275,316 4.527,317 4.327,318 6.535,319 4.05,320 3.077,321 4.474,322 2.95,323 10.309,324 2.999,325 4.142,326 3.221,327 6.149,328 3.827,329 2.885,330 3.691,331 0.916,332 9.079,333 2.718,334 3.708,335 3.096,336 5.438,337 3.429,338 2.503,339 2.947,340 0.8,341 7.195,342 2.313,343 3.53,344 2.713,345 5.291,346 3.229,347 2.319,348 2.811,349 0.172,350 6.748,351 2.101,352 3.231,353 2.506,354 4.978,355 2.847,356 1.894,357 2.368,359 5.599,360 1.799,361 3.045,362 2.055,363 4.342,364 2.511,365 1.546,366 2.317,368 4.094,369 1.488,370 2.695,371 1.707,372 4.15,373 2.395,374 1.463,375 1.748,377 3.702,378 1.354,379 2.583,380 1.546,381 3.583,382 2.116,383 1.149,384 1.607,386 2.745,387 1.108,388 2.5,389 1.206,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.077,398 1.146,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2,407 1,408 3.167,409 1.581,410 0.649,411 0.902,413 1.503,414 0.602,415 1.655,416 0.76,417 2.882,418 1.319,419 0.508,420 0.567,422 0.806,423 0.401,424 1.163,425 0.662,426 2.705,427 0.939,433 0.812,434 0.136,435 2.288,436 0.465,437 -0.464,438 -0.551,440 -0.999,441 -0.42,442 0.663,443 -0.414,444 2,445 0.186,446 -0.757,447 -0.912,449 -1.705,450 -0.702,451 11.933,452 0.497,453 0.427,454 0.018,455 31,456 1.292,457 15,458 0.625,459 16,460 0.667,461 19.251,462 0.802,463 25.267,464 0.549,465 18.887,466 0.787,467 5.86,468 0.244,469 5.971,470 0.249,471 0.042,473 0.277,479 1.009,480 1.358,481 0.783,482 0.978,483 0.849,484 0.951,485 1.498,486 1.046,487 1.119,488 0.962,489 0.907,490 0.896,491 1.21,492 1.065,493 1.026,494 1.011,495 0.851,496 1.053,497 0.898,498 1.064,499 0.996,500 1.082,501 1.027,502 1.164,503 0.691,504 0.914,505 0.701,506 0.859,507 0.943,508 0.966,509 0.905,510 1.015,511 0.766,512 0.878,513 0.878,514 0.968,515 1.468,516 0.877,517 1.286,518 1.019,519 1.296,520 0.964,521 0.901,522 1.023,523 1.306,524 1.25,525 1.157,526 1.127,527 4,528 0.061,529 2.667,530 1.167,531 0.742,532 0.681,533 0.332,534 0.161,535 0.197,536 0.111,537 7420,538 17197,539 2.187,540 47.8,542 19,543 1,544 1,545 1,550 1.661,551 2.118,552 3.464,553 -0.342,554 1,555 1,559 67.266,560 1.462,561 3.445,562 4.344,563 4.768,564 4.768,565 4.768,566 2.939,567 4.137,568 4.555,569 3.621,570 999.342,571 7.822,572 11991.5,574 1,576 1,577 254.084,578 1.099,579 4.546,580 0.148,581 0.004,582 0.072,583 0.032,584 0.026,585 0.027,586 0.014,587 0.008,588 0.012,589 0.007,590 0.35,591 0.33,592 1,593 0.573,594 115.913,595 0.031,596 -0.211,597 0.091,598 -0.018,599 0.077,600 0.005,601 -0.141,602 0.093,603 -0.08,604 0.03,605 0.038,606 0.041,607 -0.108,608 -0.021,609 -0.116,610 -0.076,611 0.037,612 -0.101,613 -0.045,614 -0.113,615 -0.152,616 -0.168,617 -0.149,618 -0.19,619 0.116,620 -0.04,621 0.073,622 -0.001,623 -0.06,624 0.01,625 0.022,626 -0.106,627 0.077,628 0.009,629 -0.014,631 -0.177,632 0.144,633 -0.127,634 0.017,635 -0.205,636 -0.004,637 0.013,638 -0.044,639 -0.179,640 -0.173,641 -0.122,642 -0.125,643 0.681,644 1.377,645 0.875,646 21.896,647 0.988,648 1.123,649 2.965,650 8.79,651 0.685,652 3.332,653 3.638,654 3.932,655 4.174,656 4.382,657 4.419,658 4.543,659 4.615,660 4.673,661 4.804,662 6.554,663 0.631,664 338.52,665 3.332,666 4.86,667 5.714,668 6.581,669 7.447,670 8.319,671 9.19,672 10.064,673 10.936,674 11.811,675 8.7,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,714 46,716 16,717 1,718 27,720 49,721 19,722 13,723 2,724 4,730 4,731 5,745 13,746 6,760 1,761 1,764 22,765 3,766 1,767 5,768 1,773 4,777 0.75,786 1,788 1,792 1,793 3,796 1,815 1,819 3,820 1,821 1,823 1,827 24,833 5,836 1,838 2,854 11.333,855 8.433,856 5.333,857 2.715,858 2.978,859 1.402,860 1.024,861 4.674,862 10.388,863 3.584,864 4.171,865 4.774,866 5.342,867 5.808,868 5.985,869 6.292,870 6.539,871 6.405,872 6.682,873 0.875,874 36,875 8.869,877 3.704,878 7.382,879 17.682,881 14.773,883 1.882,884 45.167,885 0.001,887 1,888 247.193,889 136.672,890 39.82,894 32.22,895 104.453,896 247.193,897 39.82,898 7.19,899 10.529,900 65.905,901 30.272,902 42.148,903 11.771,904 255.87,906 247.193,907 144.272,909 32.22,911 247.193,915 41.201,916 86.286,917 16.786,918 32.22,919 247.193,920 39.82,921 136.672,924 247.193,925 54.529,926 88.391,927 16.786,928 16.786,929 247.193,930 39.82,931 136.672,933 0.574,934 0.344,935 0.184,936 0.098,937 19,938 7,939 0.082,940 4,941 1,942 1.095,943 3.804,944 193.999,945 0.095,946 21,947 102.039,948 1,951 15.854,952 7.076,953 3.428,954 2.229,955 23.034,956 17.013,957 4.377,958 3.273,961 4.005,963 16.786,964 423.685,965 35,975 45.436,976 51.65,977 0.265,978 0.624,979 0.786,980 0.863,981 0.863,982 0.863,983 4.804,984 1.149,985 5.673,986 3.702,987 4.317,988 4.856,989 3.038,990 6.457,991 4.207,992 5.981,993 1,994 7.21,995 2.745,996 3.761,997 4.543,998 0.57,999 7.298,1000 3.589,1001 7.271,1002 1,1003 8.845,1004 2.275,1005 5.883,1006 7.051,1007 5.036,1008 10.375,1009 5.677,1010 8.599,1011 0.649,1012 10.541,1013 2.275,1014 6.196,1015 7.664,1016 0.581,1017 12.076,1018 5.937,1019 9.963,1020 0.508,1021 12.276,1022 1.503,1023 7.728,1024 9.59,1025 7.185,1026 14.642,1027 7.443,1028 11.353,1030 14.038,1031 0.806,1032 8.447,1033 10.652,1034 0.515,1035 16.694,1036 8.123,1037 12.764,1038 -0.464,1039 15.82,1041 9.729,1042 12.331,1043 9.348,1044 19.091,1045 9.38,1046 3.077,1047 -0.757,1048 17.617,1049 -0.999,1050 10.646,1051 13.617,1052 0.441,1053 21.291,1054 10.267,1055 2.885,1056 10.309,1057 19.426,1058 -1.705,1059 11.82,1060 15.187,1061 11.511,1062 23.631,1063 11.416,1064 2.503,1065 9.079,1066 21.244,1067 4.474,1068 12.833,1069 16.58,1070 0.373,1071 25.896,1072 12.403,1073 2.319,1074 7.195,1075 23.07,1076 3.691,1077 13.962,1078 18.104,1079 13.675,1080 28.217,1081 13.508,1082 1.894,1083 6.748,1084 24.902,1085 2.947,1086 15.022,1087 19.55,1088 0.314,1089 30.511,1090 14.544,1091 1.546,1092 5.599,1093 26.739,1094 2.811,1095 16.134,1096 21.054,1097 15.838,1098 32.829,1099 15.633,1100 1.463,1101 4.094,1102 28.581,1103 2.368,1104 17.217,1105 22.525,1106 0.264,1107 35.137,1108 16.693,1109 6904,1110 10598,1111 18.781,1112 31.523,1113 40.277,1114 43.239,1115 40.909,1116 39.965,1117 39.985,1118 51.863,1119 9.678,1120 112.66,1121 37.694,1122 5.527,1123 6.327,1124 6.217,1125 5.118,1126 5.077,1127 7.474,1128 5.9,1129 17.046,1130 4.999,1131 6.683,1132 1.492,1133 1.601,1134 1.515,1135 1.48,1136 1.481,1137 1.921,1138 0.358,1139 4.173,1140 1.396,1141 4.114,1142 4.158,1143 4.077,1144 3.999,1145 5.059,1146 4.012,1147 3.943,1148 3.985,1149 4.004,1150 3.878,1151 4.737,1152 3.86,1153 3.719,1154 3.777,1155 3.699,1156 3.563,1157 4.387,1158 3.561,1159 3.407,1160 3.468,1161 3.437,1162 3.28,1163 4.267,1164 3.273,1165 3.224,1166 3.295,1167 3.284,1168 3.171,1169 3.942,1170 3.068,1171 3.111,1172 3.206,1173 2.961,1174 2.941,1175 3.873,1176 2.91,1177 3.089,1178 3.186,1179 2.866,1180 2.852,1181 3.674,1182 2.857,1183 2.854,1184 2.925,1185 2.705,1186 2.735,1187 3.635,1188 2.715,1189 0.168,1190 0.16,1191 0.242,1192 0.15,1193 0.114,1194 4.527,1195 0.166,1196 4.327,1197 0.109,1198 6.535,1199 0.382,1200 4.05,1201 0.111,1202 3.077,1203 4.474,1204 2.95,1205 10.309,1206 2.999,1207 1.921,1208 1.889,1209 2.042,1210 2.061,1211 1.327,1212 2.062,1213 1.878,1214 1.85,1215 1.964,1216 1.992,1217 1.112,1218 1.984,1219 1.711,1220 1.648,1221 1.878,1222 1.877,1223 1.037,1224 1.889,1225 1.497,1226 1.435,1227 1.67,1228 1.701,1229 0.825,1230 1.702,1231 1.221,1232 1.159,1233 1.517,1234 1.412,1235 0.8,1236 1.489,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.648,1242 1.429,1243 1.102,1244 1.027,1245 1.352,1246 1.345,1247 0.432,1248 1.362,1249 0.886,1250 0.821,1251 1.181,1252 1.086,1253 0.299,1254 1.107,1255 4.007,1257 5.313,1258 2.398,1259 6.823,1260 4.727,1261 8.417,1262 6.823,1263 10.051,1265 2.119,1271 5.345,1274 1.793,1276 5.014,1280 29.014,1281 67.266,1282 158.468,1283 199.819,1284 219.329,1285 219.329,1286 219.329,1287 25.006,1288 7.41,1289 35.16,1290 60.46,1291 23,1292 12.351,1293 4.087,1294 3.17,1295 34.177,1296 96,1297 98,1298 0.176,1299 181.268,1300 299.15,1301 434.053,1302 17203,1304 16.355,1305 0.681,1306 0.613,1307 16.709,1308 14.721,1309 11.831,1310 0.438,1311 0.355,1312 8.369,1313 10.976,1314 8.022,1315 6.629,1316 12.389,1317 9.581,1318 10.251,1319 0.277,1320 0.191,1321 10.744,1322 7.054,1323 9.145,1324 0.183,1325 0.11,1326 9.637,1327 5.484,1328 7.542,1329 0.118,1330 0.059,1331 7.864,1332 3.75,1333 6.074,1334 0.077,1335 0.033,1336 6.343,1337 2.601,1338 0.282,1339 78.657,1340 0.231,1341 23.838,1342 0.466,1343 128,1344 296.129,1345 154.935,1346 315.101,1347 443.41,1348 300,1349 151,1350 320.08,1351 173.743,1352 339.609,1353 495.12,1354 319,1355 5} {0 CHEMBL287671,1 1.314,2 13.107,3 4.254,4 18.094,5 115.168,6 7.087,7 0.688,8 4.049,9 4.178,10 3.603,11 3.644,12 5.056,13 3.607,14 4.591,15 4.773,16 3.94,17 4.053,18 5.52,19 3.992,20 4.851,21 5.075,22 3.953,23 4.2,24 5.682,25 4.09,26 4.916,27 5.163,28 3.817,29 4.192,30 5.687,31 4.04,32 4.92,33 5.197,34 3.71,35 4.118,36 5.645,37 3.948,38 4.799,39 5.076,40 3.599,41 3.971,42 5.511,43 3.808,44 4.638,45 4.922,46 3.475,47 3.798,48 5.367,49 3.654,50 4.46,51 4.713,52 3.406,53 3.735,54 5.241,55 3.596,56 0.052,57 0.77,58 11.122,59 4.591,60 8.801,61 6.409,62 0.189,63 1.306,64 20.555,65 7.517,66 17.336,67 10.711,68 0.223,69 1.604,70 27.747,71 10.624,72 21.599,73 15.231,74 0.215,75 1.642,76 30.235,77 12.104,78 23.954,79 17.364,80 0.222,81 1.604,82 31.32,83 12.396,84 27.449,85 17.949,86 0.184,87 1.436,88 27.768,89 10.547,90 22.017,91 15.396,92 0.236,93 1.251,94 23.976,95 8.318,96 20.288,97 12.261,98 0.164,99 1.046,100 19.293,101 7.421,102 16.655,103 10.699,105 44,106 0.217,107 0.53,108 0.671,109 0.791,110 0.819,111 0.819,112 3.374,113 0.929,114 -4.79,115 -4.71,116 -4.42,119 46.2,125 5,140 11,141 4,142 1,143 1,149 1,159 1,169 14,172 5,174 1,176 2,178 16,181 1,182 5,186 1,189 14,193 2,195 1,197 1,199 9,202 1,203 5,211 6,215 5,222 2,226 4,229 1,233 2,236 1,237 3,244 4,249 2,254 2,256 5,259 1198,260 19.723,261 19.723,262 19.723,263 19.723,264 19.723,265 17.179,266 15.817,267 11.802,268 20.062,269 15.84,270 15.84,271 15.84,272 15.84,273 15.84,274 12.14,275 24.479,276 5.625,277 16.391,278 4.386,279 2.488,280 1.631,281 0.899,282 0.731,283 0.731,284 4.094,288 1,289 1,290 833,291 2.236,294 67.009,295 364.427,298 125.369,302 2.25,303 9.986,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 58,315 367,316 4.527,317 3.223,318 6.535,319 4.05,320 3.077,321 4.474,322 0.916,323 10.309,324 2.999,325 4.268,326 3.109,327 6.198,328 3.91,329 2.934,330 3.903,331 0.8,332 9.231,333 2.883,334 3.982,335 2.832,336 6.077,337 3.716,338 2.755,339 3.4,340 0.172,341 8.844,342 2.628,343 3.58,344 2.686,345 5.432,346 3.35,347 2.416,348 2.829,350 7.17,351 2.254,352 3.368,353 2.073,354 4.983,355 2.936,356 1.959,357 2.698,359 5.622,360 1.913,361 3.211,362 1.934,363 4.584,364 2.813,365 1.846,366 2.366,368 4.846,369 1.78,370 3.045,371 1.586,372 4.255,373 2.511,374 1.546,375 2.317,377 3.897,378 1.488,379 2.786,380 1.546,381 4.146,382 2.443,383 1.478,384 1.869,386 3.69,387 1.422,388 2.625,389 1.208,390 3.583,391 2.132,392 1.16,393 1.681,395 2.751,396 1.126,397 2.5,398 1.146,399 3.493,400 2.056,401 1.071,402 1.5,404 2.627,405 1.053,406 2.5,407 1.104,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.477,416 1,417 3.414,418 2,419 1,420 1.469,422 2.275,423 1,424 2.074,425 1,426 3.247,427 1.967,428 1,429 1,431 2.136,432 0.965,433 2,434 0.73,435 3.164,436 1.576,437 0.64,438 0.898,440 1.497,441 0.598,442 1.223,443 0.177,444 2.833,445 0.993,446 0.032,447 0.037,449 0.082,450 0.031,451 13.6,452 0.486,453 0.479,454 0.017,455 39,456 1.393,457 20.5,458 0.732,459 18.5,460 0.661,461 20.578,462 0.735,463 28.4,464 0.546,465 25.921,466 0.926,467 7.803,468 0.279,469 6.062,470 0.217,473 0.279,479 1.006,480 1.299,481 0.821,482 1.014,483 0.823,484 0.922,485 1.484,486 1.043,487 1.018,488 0.915,489 0.955,490 0.925,491 1.168,492 1.035,493 1.068,494 1.027,495 0.851,496 1.036,497 0.891,498 1.035,499 1.1,500 1.119,501 0.969,502 1.125,503 0.758,504 0.944,505 0.969,506 1.009,507 0.961,508 1.007,509 0.954,510 1.084,511 0.999,512 1.052,513 0.937,514 1.033,515 1.371,516 0.874,517 1.023,518 0.862,519 1.167,520 0.904,521 1.027,522 0.911,523 1.042,524 0.98,525 1.123,526 1.006,527 4,528 0.077,529 3.111,530 1.354,531 0.653,532 0.757,533 0.492,534 0.207,535 0.164,536 0.138,537 12341,538 26319,539 2.246,540 46.2,542 21,543 1,544 1,545 1,550 1.702,551 2.211,552 3.653,553 -0.429,555 1,559 68.345,560 1.314,561 3.212,562 4.07,563 4.801,564 4.97,565 4.97,566 3.115,567 4.084,568 4.778,569 3.837,570 1450.4,571 8.262,572 19985.5,574 1,576 1,577 296.423,578 0.863,579 4.781,580 0.125,581 0.004,582 0.071,583 0.031,584 0.018,585 0.024,586 0.018,587 0.008,588 0.007,589 0.006,590 0.311,591 0.33,592 0.88,594 143.694,595 0.042,596 -0.179,597 0.08,598 -0.04,599 0.081,600 0.012,601 -0.123,602 0.081,603 -0.064,604 0.023,605 -0.029,606 -0.009,607 -0.076,608 -0.005,609 -0.102,610 -0.06,611 0.033,612 -0.079,613 -0.024,614 -0.071,615 -0.131,616 -0.127,617 -0.084,618 -0.136,619 0.071,620 -0.019,621 0.022,622 -0.011,623 -0.053,624 -0.001,625 0.012,626 -0.14,627 0.001,628 -0.072,629 -0.046,630 -0.043,631 -0.073,632 0.125,633 0.002,634 0.082,635 -0.117,636 0.055,637 -0.021,638 0.073,639 -0.058,640 -0.002,641 -0.125,642 -0.028,643 0.686,644 1.393,645 0.964,646 30.913,647 0.985,648 1.118,649 3.565,650 12.709,651 0.685,652 3.497,653 3.807,654 4.111,655 4.369,656 4.585,657 4.615,658 4.787,659 4.89,660 4.963,661 5.112,662 7.595,663 0.641,664 368.52,665 3.497,666 5.03,667 5.889,668 6.758,669 7.627,670 8.5,671 9.373,672 10.248,673 11.122,674 11.998,675 7.7,678 1,681 1,683 1,685 1,687 2,688 13,689 1,690 1,693 4,695 22,709 1,714 52,716 22,717 2,718 32,720 56,721 24,722 19,723 3,724 9,730 5,731 6,745 19,746 5,761 1,764 24,765 3,766 1,767 4,773 4,777 0.8,786 1,788 1,792 1,793 4,796 1,815 1,819 4,827 28,833 5,838 2,854 12.667,855 9.183,856 6.111,857 3.181,858 4.014,859 1.5,860 1.053,861 4.757,862 12.041,863 3.784,864 4.385,865 5.005,866 5.593,867 6.093,868 6.287,869 6.698,870 7.002,871 7.056,872 7.346,873 0.889,874 43,875 10.336,877 4.382,878 7.393,879 20.546,881 17.375,883 1.893,884 53,886 1,887 1,888 270.735,889 149.464,890 39.82,895 149.464,896 270.735,897 39.82,899 10.529,900 113.286,901 30.272,902 46.968,903 11.771,904 247.193,906 270.735,907 189.284,911 270.735,915 41.201,916 131.297,917 16.786,919 270.735,920 39.82,921 149.464,924 270.735,925 27.13,926 128.582,927 16.786,928 16.786,929 270.735,930 39.82,931 149.464,933 0.576,934 0.342,935 0.189,936 0.1,937 23,938 8,939 0.071,940 4,941 1,942 1.074,943 4.254,944 243.538,945 0.074,946 27,947 122.606,951 17.328,952 7.686,953 3.659,954 2.219,955 23.034,956 27.634,957 4.393,958 3.283,961 5.197,963 16.786,964 460.019,965 43,975 51.243,976 58.145,977 0.231,978 0.564,979 0.714,980 0.842,981 0.872,982 0.872,983 5.001,984 1.478,985 5.844,986 3.897,987 4.489,988 5.072,989 1.242,990 6.629,991 4.423,992 6.183,993 1.16,994 7.378,995 3.69,996 3.892,997 4.677,998 0.57,999 7.466,1000 3.784,1001 7.469,1002 1.071,1003 9.015,1004 2.751,1005 6.052,1006 7.266,1007 0.883,1008 10.564,1009 5.923,1010 8.795,1011 1,1012 10.715,1013 2.627,1014 6.347,1015 7.808,1016 0.581,1017 12.274,1018 6.184,1019 10.157,1020 1,1021 12.456,1022 2.275,1023 7.903,1024 9.787,1025 0.68,1026 14.843,1027 7.719,1028 11.545,1029 1,1030 14.225,1031 2.275,1032 8.616,1033 10.795,1034 0.515,1035 16.894,1036 8.403,1037 12.955,1038 0.64,1039 16.014,1040 2.136,1041 9.91,1042 12.501,1043 0.541,1044 19.284,1045 9.677,1046 3.077,1047 0.032,1048 17.817,1049 1.497,1050 10.824,1051 13.747,1052 0.441,1053 21.476,1054 10.567,1055 2.934,1056 10.309,1057 19.63,1058 0.082,1059 12.003,1060 15.327,1061 0.438,1062 23.805,1063 11.725,1064 2.755,1065 9.231,1066 21.451,1067 4.474,1068 13.013,1069 16.693,1070 0.373,1071 26.058,1072 12.712,1073 2.416,1074 8.844,1075 23.279,1076 3.903,1077 14.143,1078 18.218,1079 0.358,1080 28.368,1081 13.821,1082 1.959,1083 7.17,1084 25.111,1085 3.4,1086 15.199,1087 19.644,1088 0.314,1089 30.649,1090 14.855,1091 1.846,1092 5.622,1093 26.947,1094 2.829,1095 16.31,1096 21.146,1097 0.296,1098 32.956,1099 15.945,1100 1.546,1101 4.846,1102 28.787,1103 2.698,1104 17.389,1105 22.603,1106 0.264,1107 35.252,1108 17.002,1109 11111,1110 16336,1111 22.652,1112 35.637,1113 48.261,1114 47.82,1115 48.215,1116 47.844,1117 47.827,1118 63.884,1119 3.778,1120 134.503,1121 46.281,1122 5.527,1123 5.223,1124 6.337,1125 5.118,1126 5.077,1127 7.474,1128 1.605,1129 17.046,1130 4.999,1132 1.508,1133 1.494,1134 1.507,1135 1.495,1136 1.495,1137 1.996,1138 0.118,1139 4.203,1140 1.446,1141 4.117,1142 4.161,1143 4.075,1144 4.006,1145 5.06,1146 4.017,1147 4.008,1148 4.04,1149 3.953,1150 3.949,1151 4.841,1152 3.947,1153 3.827,1154 3.882,1155 3.74,1156 3.713,1157 4.62,1158 3.712,1159 3.67,1160 3.72,1161 3.568,1162 3.532,1163 4.385,1164 3.534,1165 3.404,1166 3.466,1167 3.299,1168 3.271,1169 4.26,1170 3.269,1171 3.133,1172 3.222,1173 3.018,1174 2.941,1175 3.917,1176 2.938,1177 3.111,1178 3.206,1179 2.866,1180 2.927,1181 3.749,1182 2.91,1183 2.918,1184 2.978,1185 2.81,1186 2.781,1187 3.674,1188 2.78,1189 0.141,1190 0.101,1191 0.204,1192 0.127,1193 0.096,1194 4.527,1195 0.14,1196 3.223,1197 0.029,1198 6.535,1199 0.322,1200 4.05,1201 0.094,1202 3.077,1203 4.474,1204 0.916,1205 10.309,1206 2.999,1207 1.995,1208 1.971,1209 2.098,1210 2.086,1211 1.329,1212 2.092,1213 1.889,1214 1.857,1215 2.005,1216 2.01,1217 1.18,1218 2.012,1219 1.807,1220 1.762,1221 1.943,1222 1.966,1223 1.083,1224 1.963,1225 1.678,1226 1.622,1227 1.846,1228 1.82,1229 0.934,1230 1.831,1231 1.492,1232 1.429,1233 1.669,1234 1.694,1235 0.825,1236 1.695,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.795,1242 1.429,1243 1.114,1244 1.04,1245 1.354,1246 1.359,1247 0.438,1248 1.368,1249 0.968,1250 0.923,1251 1.181,1252 1.122,1253 0.324,1254 1.14,1255 4.174,1257 5.485,1258 2.398,1259 7,1260 4.727,1261 8.599,1262 6.823,1263 10.237,1271 5.254,1276 5.02,1280 33.354,1281 68.345,1282 167.044,1283 211.614,1284 249.668,1285 258.423,1286 258.423,1287 28.92,1288 8.027,1289 35.16,1290 35.16,1291 29,1292 12.537,1293 4.524,1294 3.585,1295 38.054,1296 130,1297 116,1298 0.142,1299 201.923,1300 335.96,1301 484.452,1302 39036,1304 18.761,1305 0.67,1306 0.567,1307 18.761,1308 15.883,1309 13.865,1310 0.433,1311 0.31,1312 9.81,1313 13.528,1314 9.602,1315 7.925,1316 13.865,1317 9.905,1318 12.135,1319 0.276,1320 0.168,1321 12.135,1322 7.39,1323 10.809,1324 0.18,1325 0.094,1326 10.809,1327 5.643,1328 9.167,1329 0.118,1330 0.052,1331 9.167,1332 4.044,1333 7.501,1334 0.077,1335 0.029,1336 7.501,1337 2.84,1338 0.231,1339 85.287,1340 0.21,1341 27.407,1342 0.368,1343 152,1344 337.268,1345 159.993,1346 340.316,1347 487.82,1348 324,1349 180,1350 374.366,1351 189.381,1352 385.198,1353 564,1354 365,1355 5} {0 CHEMBL28833,1 1.311,2 12.16,3 4.134,4 17.089,5 104.275,6 6.559,7 0.571,8 4.012,9 4.153,10 3.492,11 3.556,12 4.951,13 3.507,14 4.584,15 4.794,16 3.819,17 3.964,18 5.432,19 3.887,20 4.838,21 5.084,22 3.83,23 4.113,24 5.602,25 3.987,26 4.904,27 5.171,28 3.698,29 4.116,30 5.613,31 3.946,32 4.889,33 5.179,34 3.578,35 4.032,36 5.565,37 3.844,38 4.766,39 5.056,40 3.474,41 3.884,42 5.432,43 3.708,44 4.607,45 4.899,46 3.34,47 3.723,48 5.287,49 3.559,50 4.464,51 4.747,52 3.22,53 3.637,54 5.151,55 3.467,56 0.06,57 0.773,58 12.053,59 4.621,60 8.652,61 6.829,62 0.203,63 1.278,64 22.171,65 7.562,66 17.022,67 11.521,68 0.235,69 1.531,70 28.649,71 10.327,72 21.306,73 15.547,74 0.225,75 1.552,76 30.551,77 11.651,78 22.589,79 17.299,80 0.223,81 1.472,82 30.24,83 11.437,84 24.571,85 17.067,86 0.196,87 1.312,88 26.865,89 9.49,90 20.082,91 14.499,92 0.23,93 1.133,94 23.127,95 7.64,96 18.086,97 11.834,98 0.177,99 0.978,100 19.781,101 7.197,102 15.305,103 10.81,104 4,105 38,106 0.22,107 0.561,108 0.761,109 0.825,110 0.825,111 0.825,112 3.266,113 0.997,114 -4.38,115 -4.31,116 -4.07,119 41.2,120 1,121 2,125 5,140 6,141 3,142 1,143 1,149 1,159 1,169 10,172 5,174 1,176 2,178 10,181 1,182 5,186 1,189 8,193 2,195 1,197 1,199 4,202 1,203 5,211 2,215 4,226 3,229 1,233 2,236 1,237 2,244 4,249 1,254 2,256 5,259 852,260 17.524,261 17.524,262 17.524,263 17.524,264 17.524,265 15.668,266 19.455,267 10.553,268 17.863,269 13.818,270 13.818,271 13.818,272 13.818,273 13.818,274 11.057,275 25.949,276 4.944,277 14.368,278 4.362,279 2.333,280 1.142,281 0.76,282 0.76,283 0.76,284 3.971,288 1,289 1,290 673,291 2.55,294 57.916,295 234.751,298 108.533,302 2.086,303 9.694,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 52,315 304,316 4.527,317 3.223,318 6.535,319 4.05,320 3.077,321 4.474,322 0.916,323 10.309,324 2.999,325 4.144,326 3.107,327 6.149,328 3.834,329 2.885,330 3.692,331 0.8,332 9.08,333 2.747,334 3.716,335 2.753,336 5.439,337 3.475,338 2.511,339 2.953,340 0.172,341 7.203,342 2.421,343 3.533,344 2.621,345 5.316,346 3.281,347 2.332,348 2.812,350 6.869,351 2.202,352 3.233,353 2.051,354 4.978,355 2.854,356 1.897,357 2.37,359 5.601,360 1.814,361 3.045,362 1.677,363 4.348,364 2.511,365 1.546,366 2.317,368 4.126,369 1.489,370 2.704,371 1.546,372 4.151,373 2.45,374 1.493,375 1.754,377 3.704,378 1.423,379 2.589,380 1.207,381 3.583,382 2.125,383 1.155,384 1.616,386 2.746,387 1.119,388 2.5,389 1.146,390 3.414,391 2.041,392 1.05,393 1.5,395 2.275,396 1.039,397 2.156,398 1.076,399 3.414,400 2,401 1,402 1.132,404 2.275,405 1,406 2.071,407 1,408 3.191,409 1.967,410 1,411 1,413 1.849,414 0.965,415 2,416 0.731,417 3.137,418 1.577,419 0.641,420 0.897,422 1.492,423 0.599,424 1.241,425 0.23,426 2.811,427 1.034,428 0.068,429 0.076,431 0.154,432 0.065,433 1.004,434 0.014,435 2.409,436 0.765,437 -0.211,438 -0.241,440 -0.426,441 -0.205,442 0.671,443 -0.457,444 2,445 0.347,446 -0.623,447 -0.709,449 -1.357,450 -0.603,451 12.1,452 0.484,453 0.427,454 0.017,455 31,456 1.24,457 14.5,458 0.58,459 16.5,460 0.66,461 20.804,462 0.832,463 26.9,464 0.527,465 19.405,466 0.776,467 5.913,468 0.237,469 6.418,470 0.257,471 0.041,473 0.273,479 1.024,480 1.453,481 0.909,482 1.148,483 0.858,484 1.041,485 1.436,486 1.093,487 1.025,488 0.951,489 0.915,490 0.952,491 1.132,492 1.062,493 1.049,494 1.034,495 0.867,496 1.034,497 0.859,498 1.049,499 1.068,500 1.113,501 0.972,502 1.11,503 0.749,504 0.989,505 0.972,506 1.039,507 0.99,508 1.027,509 1.017,510 1.073,511 1.001,512 1.032,513 0.982,514 1.018,515 1.33,516 0.911,517 1.058,518 0.914,519 1.17,520 0.954,521 1.009,522 0.873,523 1.025,524 0.954,525 0.99,526 0.985,527 4,528 0.073,529 2.667,530 1.167,531 0.742,532 0.709,533 0.372,534 0.161,535 0.197,536 0.121,537 8367,538 16260,539 2.179,540 51,541 7,542 16,543 1,544 1,545 1,550 1.672,551 2.113,552 3.543,553 -0.396,555 1,559 66.844,560 1.311,561 3.339,562 4.53,563 4.913,564 4.913,565 4.913,566 3.133,567 4.324,568 4.612,569 3.708,570 1112.27,571 7.936,572 13896.5,574 1,576 1,577 289.294,578 1.078,579 4.606,580 0.143,581 0.005,582 0.07,583 0.032,584 0.024,585 0.026,586 0.015,587 0.008,588 0.01,589 0.007,590 0.339,591 0.33,592 1,593 0.743,594 123.013,595 0.058,596 -0.233,597 0.082,598 -0.067,599 0.11,600 -0.003,601 -0.072,602 0.058,603 -0.01,604 0.039,605 0.054,606 0.023,607 -0.042,608 -0.015,609 -0.06,610 -0.043,611 0.043,612 -0.051,613 -0.003,614 -0.072,615 -0.101,616 -0.112,617 -0.086,618 -0.114,619 0.068,620 -0.06,621 -0.006,622 -0.052,623 -0.093,624 -0.039,625 -0.022,626 -0.125,627 -0.019,628 -0.071,629 -0.093,630 -0.049,631 -0.081,632 0.074,633 -0.055,634 0.015,635 -0.121,636 -0.012,637 -0.02,638 0.094,639 -0.045,640 0.017,641 -0.018,642 -0.01,643 0.677,644 1.385,645 0.84,646 24.563,647 0.983,648 1.129,649 3.147,650 9.906,651 0.655,652 3.367,653 3.664,654 3.951,655 4.205,656 4.407,657 4.443,658 4.585,659 4.673,660 4.71,661 4.836,662 6.91,663 0.605,664 334.51,665 3.367,666 4.89,667 5.74,668 6.605,669 7.469,670 8.34,671 9.209,672 10.083,673 10.954,674 11.829,675 7.8,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,714 51,716 16,717 1,718 28,720 54,721 21,722 13,723 2,724 4,730 4,731 5,736 1,743 2,745 13,746 8,761 1,764 26,765 3,766 1,767 4,773 4,777 0.75,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 25,833 7,838 2,854 11.833,855 9.267,856 5.583,857 3.382,858 2.992,859 1.399,860 1.015,861 4.931,862 10.492,863 3.611,864 4.186,865 4.782,866 5.356,867 5.822,868 6.002,869 6.323,870 6.58,871 6.427,872 6.699,873 1,874 37,875 9.257,877 3.854,878 7.353,879 18.576,881 15.556,883 1.853,884 46.333,885 0.001,886 1,887 1,888 294.278,889 112.791,890 39.82,895 112.791,896 294.278,897 39.82,898 8.825,899 15.598,900 65.905,901 30.272,902 43.782,903 11.771,904 270.735,906 294.278,907 152.611,911 294.278,915 55.095,916 80.73,917 16.786,919 294.278,920 39.82,921 112.791,924 294.278,925 29.014,926 90.026,927 16.786,928 16.786,929 294.278,930 39.82,931 112.791,933 0.568,934 0.336,935 0.187,936 0.099,937 19,938 7,939 0.093,940 5,941 1,942 1.095,943 3.912,944 203.261,945 0.095,946 21,947 108.096,951 16.467,952 7.486,953 3.665,954 2.236,955 23.034,956 17.248,957 4.385,958 3.28,961 4.147,963 16.786,964 446.889,965 36,975 50.127,976 57.56,977 0.231,978 0.589,979 0.799,980 0.866,981 0.866,982 0.866,983 4.828,984 1.155,985 5.694,986 3.704,987 4.344,988 4.871,989 1.242,990 6.472,991 4.268,992 5.999,993 1.05,994 7.225,995 2.746,996 3.761,997 4.543,998 0.57,999 7.298,1000 3.638,1001 7.284,1002 1,1003 8.856,1004 2.275,1005 5.9,1006 7.056,1007 0.883,1008 10.385,1009 5.748,1010 8.608,1011 1,1012 10.549,1013 2.275,1014 6.196,1015 7.664,1016 0.581,1017 12.081,1018 6.003,1019 9.97,1020 0.641,1021 12.282,1022 1.849,1023 7.739,1024 9.592,1025 0.68,1026 14.649,1027 7.519,1028 11.358,1029 0.068,1030 14.043,1031 1.492,1032 8.45,1033 10.653,1034 0.515,1035 16.699,1036 8.195,1037 12.768,1038 -0.211,1039 15.825,1040 0.154,1041 9.737,1042 12.332,1043 0.541,1044 19.095,1045 9.454,1046 3.077,1047 -0.623,1048 17.622,1049 -0.426,1050 10.651,1051 13.617,1052 0.441,1053 21.295,1054 10.336,1055 2.885,1056 10.309,1057 19.43,1058 -1.357,1059 11.826,1060 15.187,1061 0.438,1062 23.633,1063 11.484,1064 2.511,1065 9.08,1066 21.248,1067 4.474,1068 12.838,1069 16.581,1070 0.373,1071 25.898,1072 12.467,1073 2.332,1074 7.203,1075 23.073,1076 3.692,1077 13.967,1078 18.104,1079 0.358,1080 28.219,1081 13.57,1082 1.897,1083 6.869,1084 24.905,1085 2.953,1086 15.026,1087 19.55,1088 0.314,1089 30.512,1090 14.602,1091 1.546,1092 5.601,1093 26.742,1094 2.812,1095 16.138,1096 21.055,1097 0.296,1098 32.83,1099 15.688,1100 1.493,1101 4.126,1102 28.583,1103 2.37,1104 17.221,1105 22.526,1106 0.264,1107 35.138,1108 16.744,1109 7821,1110 11038,1111 19.474,1112 33.398,1113 41.578,1114 41.246,1115 42.364,1116 41.331,1117 41.309,1118 53.187,1119 3.778,1120 115.366,1121 39.761,1122 5.527,1123 5.223,1124 6.305,1125 5.118,1126 5.077,1127 7.474,1128 1.605,1129 17.046,1130 4.999,1131 6.964,1132 1.485,1133 1.473,1134 1.513,1135 1.476,1136 1.475,1137 1.9,1138 0.135,1139 4.12,1140 1.42,1141 4.115,1142 4.159,1143 4.074,1144 4,1145 5.059,1146 4.013,1147 3.967,1148 4.009,1149 3.898,1150 3.886,1151 4.744,1152 3.884,1153 3.748,1154 3.816,1155 3.631,1156 3.572,1157 4.387,1158 3.578,1159 3.515,1160 3.589,1161 3.347,1162 3.374,1163 4.272,1164 3.355,1165 3.401,1166 3.463,1167 3.279,1168 3.265,1169 4.08,1170 3.262,1171 3.129,1172 3.223,1173 2.99,1174 2.941,1175 3.91,1176 2.91,1177 3.111,1178 3.206,1179 2.866,1180 2.898,1181 3.698,1182 2.908,1183 2.926,1184 3.015,1185 2.767,1186 2.747,1187 3.674,1188 2.738,1189 0.162,1190 0.115,1191 0.233,1192 0.145,1193 0.11,1194 4.527,1195 0.16,1196 3.223,1197 0.033,1198 6.535,1199 0.368,1200 4.05,1201 0.107,1202 3.077,1203 4.474,1204 0.916,1205 10.309,1206 2.999,1207 1.95,1208 1.915,1209 2.082,1210 2.076,1211 1.335,1212 2.08,1213 1.884,1214 1.853,1215 1.991,1216 2,1217 1.252,1218 1.996,1219 1.734,1220 1.667,1221 1.927,1222 1.929,1223 1.089,1224 1.936,1225 1.555,1226 1.487,1227 1.811,1228 1.748,1229 0.956,1230 1.769,1231 1.478,1232 1.41,1233 1.67,1234 1.676,1235 0.825,1236 1.689,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.797,1242 1.429,1243 1.114,1244 1.038,1245 1.37,1246 1.364,1247 0.511,1248 1.375,1249 0.988,1250 0.914,1251 1.319,1252 1.198,1253 0.417,1254 1.245,1255 4.043,1257 5.342,1258 2.398,1259 6.845,1260 4.727,1261 8.434,1262 6.823,1263 10.066,1265 2.233,1271 7.763,1276 5.042,1280 30.88,1281 66.844,1282 170.297,1283 231.029,1284 250.539,1285 250.539,1286 250.539,1287 27.662,1288 7.5,1289 35.16,1290 35.16,1291 23,1292 12.37,1293 4.087,1294 3.17,1295 36.276,1296 106,1297 112,1298 0.17,1299 189.321,1300 315.24,1301 453.704,1302 19435,1304 17.062,1305 0.682,1306 0.596,1307 17.062,1308 14.91,1309 12.331,1310 0.44,1311 0.332,1312 9.21,1313 11.994,1314 8.977,1315 7.46,1316 12.331,1317 9.305,1318 10.632,1319 0.28,1320 0.181,1321 10.632,1322 6.893,1323 9.264,1324 0.182,1325 0.101,1326 9.264,1327 5.143,1328 7.83,1329 0.119,1330 0.056,1331 7.83,1332 3.711,1333 6.294,1334 0.078,1335 0.032,1336 6.294,1337 2.559,1338 0.274,1339 76.081,1340 0.227,1341 24.793,1342 0.446,1343 132,1344 285.268,1345 139.993,1346 285.616,1347 408.09,1348 272,1349 155,1350 312.366,1351 164.381,1352 320.217,1353 469.18,1354 303,1355 5} {0 CHEMBL28997,1 1.493,2 10.739,3 2.941,4 8.648,5 90.248,6 7.391,7 0.615,8 3.852,9 3.984,10 3.429,11 3.39,12 4.904,13 3.373,14 4.407,15 4.599,16 3.779,17 3.793,18 5.422,19 3.756,20 4.661,21 4.89,22 3.769,23 3.925,24 5.602,25 3.838,26 4.71,27 4.967,28 3.58,29 3.906,30 5.521,31 3.763,32 4.684,33 4.971,34 3.468,35 3.822,36 5.418,37 3.655,38 4.561,39 4.836,40 3.406,41 3.687,42 5.34,43 3.543,44 4.449,45 4.739,46 3.242,47 3.476,48 5.365,49 3.355,50 4.149,51 4.428,52 3.022,53 3.261,54 5.131,55 3.14,56 0.01,57 0.726,58 8.681,59 3.642,60 5.332,61 4.933,62 0.155,63 1.184,64 16.871,65 5.857,66 16.444,67 8.207,68 0.235,69 1.415,70 23.27,71 8.215,72 28.792,73 11.45,74 0.234,75 1.348,76 25.242,77 9.302,78 29.289,79 13.239,80 0.275,81 1.222,82 25.443,83 9.158,84 27.597,85 13.672,86 0.15,87 1.135,88 22.171,89 7.823,90 21.219,91 11.484,92 0.317,93 1.071,94 21.085,95 6.443,96 37.635,97 8.982,98 0.314,99 0.81,100 15.506,101 5.057,102 33.06,103 6.921,104 2,105 36,106 0.261,107 0.606,108 0.736,109 0.817,110 0.817,111 0.817,112 3.188,113 0.915,114 -4.08,115 -4.03,116 -3.81,119 42.9,125 5,140 6,141 2,142 2,143 1,149 1,159 1,169 5,172 5,174 1,176 2,178 4,181 1,182 5,186 1,189 3,193 1,195 1,197 1,202 1,203 4,215 3,226 1,229 1,233 2,236 1,237 1,244 4,254 2,256 4,259 677,260 15.947,261 15.947,262 15.947,263 15.947,264 15.947,265 14.038,266 17.445,267 9.449,268 16.348,269 12.852,270 12.852,271 12.852,272 12.852,273 12.852,274 10.074,275 25.141,276 4.51,277 13.528,278 3.899,279 1.922,280 1.179,281 0.714,282 0.714,283 0.714,284 3.892,287 1,288 1,289 1,290 553,291 2.121,294 50.351,295 207.188,298 94.69,302 1.796,303 16.07,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49.5,315 247,316 4.527,317 3.225,318 6.535,319 4.05,320 3.077,321 4.474,322 0.916,323 10.309,324 2.999,325 4.131,326 3.117,327 6.148,328 3.823,329 2.88,330 3.675,331 0.8,332 9.072,333 2.715,334 3.67,335 2.858,336 5.435,337 3.408,338 2.475,339 2.904,340 0.172,341 7.18,342 2.304,343 3.512,344 2.678,345 5.054,346 3.178,347 2.253,348 2.805,350 6.097,351 2.072,352 3.224,353 2.052,354 4.962,355 2.841,356 1.888,357 2.362,359 5.577,360 1.793,361 3.045,362 1.672,363 4.305,364 2.511,365 1.546,366 2.317,368 4.005,369 1.488,370 2.681,371 1.546,372 4.148,373 2.366,374 1.425,375 1.737,377 3.696,378 1.333,379 2.573,380 1.204,381 3.583,382 2.114,383 1.147,384 1.593,386 2.744,387 1.107,388 2.5,389 1.146,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.075,398 1,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2,407 0.737,408 3.164,409 1.578,410 0.643,411 0.9,413 1.5,414 0.6,415 1.262,416 0.443,417 2.828,418 1.016,419 0.072,420 0.082,422 0.174,423 0.067,424 1.004,425 0.109,426 2.447,427 0.658,428 -0.256,429 -0.308,431 -0.609,432 -0.229,433 0.669,434 -0.446,435 2,436 0.266,437 -0.682,438 -0.794,440 -1.615,441 -0.64,442 0.578,443 -0.6,444 2,445 0.129,446 -0.843,447 -1,449 -2.063,450 -0.817,451 10.886,452 0.473,453 0.465,454 0.02,455 30.25,456 1.315,457 14.5,458 0.63,459 15.75,460 0.685,461 16.678,462 0.725,463 24.514,464 0.584,465 19.361,466 0.842,467 6.134,468 0.267,469 5.159,470 0.224,471 0.026,473 0.303,477 1,479 0.697,480 1.263,481 0.756,482 1.093,483 0.512,484 0.961,485 0.941,486 1.02,487 0.94,488 0.928,489 0.548,490 0.916,491 1.009,492 1.024,493 1.077,494 1.047,495 0.813,496 1.063,497 0.745,498 0.913,499 1.08,500 1.11,501 0.679,502 1.145,503 0.363,504 0.703,505 0.871,506 0.972,507 0.317,508 1.002,509 0.635,510 0.991,511 0.939,512 1.097,513 0.533,514 1.074,515 1.477,516 0.973,517 1.135,518 0.869,519 1.561,520 0.925,521 1.369,522 0.781,523 1.1,524 0.791,525 1.695,526 0.883,527 4,528 0.061,529 2.667,530 1.167,531 0.702,532 0.618,533 0.332,534 0.161,535 0.184,536 0.095,537 6581,538 17118,539 2.196,540 45.2,542 16,543 1,544 1,545 1,550 1.65,551 2.123,552 3.383,553 -0.326,554 1,555 1,557 1,559 62.708,560 1.493,561 3.47,562 4.214,563 4.678,564 4.678,565 4.678,566 2.91,567 3.969,568 4.496,569 3.533,570 893.838,571 7.703,572 10314.5,573 1,574 1,576 1,577 226.477,578 1.121,579 4.483,580 0.154,581 0.004,582 0.074,583 0.034,584 0.026,585 0.026,586 0.015,587 0.009,588 0.012,589 0.006,590 0.361,591 0.67,592 1,593 0.393,594 108.977,595 -0.023,596 -0.214,597 0.068,598 -0.078,600 -0.007,601 -0.098,602 -0.009,603 -0.041,604 0.017,605 0.039,606 0.006,607 -0.103,608 -0.042,609 -0.134,610 -0.081,611 -0.005,612 -0.105,613 -0.041,614 -0.053,615 -0.138,616 -0.126,617 -0.047,618 -0.146,619 0.146,620 0.025,621 0.079,622 0.002,623 0.049,624 0.021,625 0.022,626 -0.193,627 0.021,628 -0.129,629 0.011,630 -0.07,631 -0.157,632 0.064,633 -0.073,634 0.067,635 -0.172,636 0.025,637 -0.016,638 0.306,639 -0.046,640 0.183,641 -0.165,642 0.086,643 1.847,644 5.02,645 0.913,646 19.633,647 1,648 1.135,649 2.849,650 8.118,651 0.668,652 3.296,653 3.611,654 3.892,655 4.143,656 4.357,657 4.369,658 4.477,659 4.575,660 4.635,661 4.736,662 6.223,663 0.635,664 310.41,665 3.296,666 4.828,667 5.68,668 6.55,669 7.415,670 8.288,671 9.158,672 10.033,673 10.905,674 11.781,675 9.5,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,713 1,714 42,716 16,717 1,718 26,720 45,721 18,722 13,723 2,724 4,730 4,731 5,745 13,746 5,760 1,761 1,762 1,764 19,765 4,766 1,767 5,773 4,777 0.75,786 1,788 1,792 1,793 3,796 1,815 1,819 3,825 1,827 23,833 5,838 2,846 1,854 10.833,855 7.41,856 5,857 2.543,858 2.961,859 1.405,860 1.04,861 3.919,862 10.272,863 3.555,864 4.155,865 4.748,866 5.32,867 5.788,868 5.942,869 6.238,870 6.519,871 6.383,872 6.648,873 1,874 34,875 8.507,877 3.638,878 7.645,879 16.59,881 13.953,883 2.145,884 49.333,887 1,888 211.88,889 104.832,890 39.82,893 14.96,895 104.832,896 211.88,897 54.78,899 10.529,900 65.905,901 30.272,902 49.718,903 26.731,904 188.338,906 211.88,907 144.652,908 14.96,911 226.84,915 41.201,916 86.666,917 16.786,919 226.84,920 39.82,921 104.832,924 211.88,925 29.88,926 81.201,927 16.786,928 31.746,929 211.88,930 54.78,931 104.832,933 0.58,934 0.339,935 0.182,936 0.1,937 19,938 7,939 0.067,940 3,941 1,942 1.095,943 3.706,944 184.299,945 0.095,946 21,947 96.042,951 14.522,952 6.207,953 3.039,954 2.154,955 37.994,956 14.733,957 4.341,958 3.234,961 2.214,963 16.786,964 371.492,965 34,975 41.989,976 47.655,977 0.277,978 0.644,979 0.781,980 0.868,981 0.868,982 0.868,983 4.779,984 1.147,985 5.645,986 3.696,987 4.29,988 4.84,989 1.242,990 6.428,991 4.192,992 5.964,993 1,994 7.182,995 2.744,996 3.761,997 4.543,998 0.57,999 7.261,1000 3.589,1001 7.255,1002 1,1003 8.816,1004 2.275,1005 5.855,1006 7.039,1007 0.883,1008 10.345,1009 5.666,1010 8.583,1011 0.643,1012 10.511,1013 2.275,1014 6.176,1015 7.653,1016 0.581,1017 12.045,1018 5.928,1019 9.947,1020 0.072,1021 12.245,1022 1.5,1023 7.7,1024 9.58,1025 0.68,1026 14.619,1027 7.433,1028 11.336,1029 -0.256,1030 14.008,1031 0.174,1032 8.423,1033 10.642,1034 0.515,1035 16.674,1036 8.114,1037 12.746,1038 -0.682,1039 15.79,1040 -0.609,1041 9.704,1042 12.322,1043 0.541,1044 19.076,1045 9.372,1046 3.077,1047 -0.843,1048 17.589,1049 -1.615,1050 10.623,1051 13.608,1052 0.441,1053 21.279,1054 10.259,1055 2.88,1056 10.309,1057 19.4,1058 -2.063,1059 11.798,1060 15.179,1061 0.438,1062 23.622,1063 11.409,1064 2.475,1065 9.072,1066 21.22,1067 4.474,1068 12.813,1069 16.574,1070 0.373,1071 25.889,1072 12.397,1073 2.253,1074 7.18,1075 23.048,1076 3.675,1077 13.943,1078 18.098,1079 0.358,1080 28.212,1081 13.503,1082 1.888,1083 6.097,1084 24.882,1085 2.904,1086 15.005,1087 19.545,1088 0.314,1089 30.507,1090 14.54,1091 1.546,1092 5.577,1093 26.721,1094 2.805,1095 16.118,1096 21.05,1097 0.296,1098 32.826,1099 15.629,1100 1.425,1101 4.005,1102 28.565,1103 2.362,1104 17.202,1105 22.522,1106 0.264,1107 35.135,1108 16.69,1109 6088,1110 9914,1111 18.087,1112 28.052,1113 39.11,1114 39.118,1115 39.518,1116 38.907,1117 38.811,1118 50.697,1119 3.778,1120 109.807,1121 36.885,1122 5.527,1123 5.225,1124 6.217,1125 5.118,1126 5.077,1127 7.474,1128 1.605,1129 17.046,1130 4.999,1131 6.376,1132 1.504,1133 1.505,1134 1.52,1135 1.496,1136 1.493,1137 1.95,1138 0.145,1139 4.223,1140 1.419,1141 4.114,1142 4.158,1143 4.073,1144 3.998,1145 8.201,1146 4.012,1147 3.946,1148 3.99,1149 3.887,1150 3.843,1151 5.059,1152 3.848,1153 3.721,1154 3.783,1155 3.617,1156 3.546,1157 4.664,1158 3.553,1159 3.406,1160 3.468,1161 3.303,1162 3.271,1163 4.382,1164 3.27,1165 3.139,1166 3.229,1167 3.036,1168 2.941,1169 4.246,1170 2.913,1171 3.111,1172 3.206,1173 2.866,1174 2.89,1175 3.909,1176 2.91,1177 2.882,1178 2.952,1179 2.797,1180 2.735,1181 3.674,1182 2.715,1183 2.854,1184 2.925,1185 2.687,1186 2.684,1187 3.644,1188 2.7,1189 0.174,1190 0.124,1191 0.251,1192 0.156,1193 0.118,1194 4.527,1195 0.172,1196 3.225,1197 0.035,1198 6.535,1199 0.396,1200 4.05,1201 0.115,1202 3.077,1203 4.474,1204 0.916,1205 10.309,1206 2.999,1207 1.917,1208 1.88,1209 2.045,1210 2.067,1211 1.325,1212 2.064,1213 1.876,1214 1.847,1215 1.966,1216 1.994,1217 1.102,1218 1.985,1219 1.706,1220 1.643,1221 1.881,1222 1.892,1223 1.004,1224 1.892,1225 1.495,1226 1.431,1227 1.67,1228 1.703,1229 0.825,1230 1.701,1231 1.153,1232 1.064,1233 1.513,1234 1.376,1235 0.796,1236 1.429,1237 1.111,1238 1.036,1239 1.353,1240 1.364,1241 0.432,1242 1.37,1243 0.902,1244 0.843,1245 1.181,1246 1.117,1247 0.297,1248 1.12,1249 0.886,1250 0.821,1251 1.121,1252 1.062,1253 0.218,1254 1.107,1255 3.97,1257 5.283,1258 2.398,1259 6.795,1260 4.727,1261 8.389,1262 6.823,1263 10.023,1267 13.02,1271 4.871,1276 4.766,1280 26.683,1281 62.708,1282 145.748,1283 176.968,1284 196.477,1285 196.477,1286 196.477,1287 27.951,1288 7.311,1289 35.16,1290 35.16,1291 23,1292 12.321,1293 4.087,1294 3.17,1295 32.133,1296 87,1297 84,1298 0.182,1299 161.743,1300 269.41,1301 386.412,1302 15126,1303 2.4,1304 15.648,1305 0.68,1306 0.56,1307 14.778,1308 12.874,1309 11.293,1310 0.434,1311 0.305,1312 7.813,1313 10.837,1314 7.68,1315 6.303,1316 10.899,1317 7.933,1318 10.082,1319 0.28,1320 0.165,1321 9.46,1322 5.953,1323 8.736,1324 0.182,1325 0.094,1326 8.326,1327 4.495,1328 7.231,1329 0.117,1330 0.052,1331 7.079,1332 3.2,1333 5.964,1334 0.077,1335 0.029,1336 5.74,1337 2.252,1338 0.29,1339 70.719,1340 0.235,1341 22.896,1342 0.485,1343 124,1344 363.379,1345 135.824,1346 330.893,1347 454.41,1348 312,1349 146,1350 335.7,1351 158.291,1352 335.581,1353 490.88,1354 317,1355 5} {0 CHEMBL292262,1 1.534,2 14.909,3 4.162,4 17.318,5 128.191,6 7.387,7 0.568,8 4.217,9 4.353,10 3.786,11 3.73,12 5.277,13 3.714,14 4.79,15 4.987,16 4.133,17 4.149,18 5.801,19 4.111,20 5.059,21 5.293,22 4.125,23 4.3,24 6.031,25 4.206,26 5.147,27 5.405,28 4.061,29 4.301,30 6.059,31 4.174,32 5.174,33 5.467,34 4.026,35 4.199,36 6.113,37 4.079,38 4.994,39 5.261,40 3.99,41 4.113,42 5.959,43 4.024,44 4.951,45 5.199,46 3.965,47 4.102,48 5.94,49 4.004,50 4.976,51 5.256,52 3.782,53 4.024,54 5.925,55 3.897,56 0.052,57 1.096,58 12.732,59 5.419,60 11.08,61 7.31,62 0.297,63 1.784,64 25.316,65 8.928,66 25.426,67 12.33,68 0.5,69 2.154,70 35.584,71 12.828,72 52.032,73 17.48,74 0.362,75 2.202,76 39.843,77 14.686,78 58.601,79 20.394,80 0.736,81 2.187,82 44.098,83 13.959,84 86.468,85 19.809,86 0.56,87 1.934,88 35.343,89 11.306,90 59.559,91 15.82,92 0.463,93 1.889,94 32.771,95 11.278,96 56.192,97 15.57,98 0.598,99 1.796,100 35.411,101 11.071,102 72.567,103 15.617,104 5,105 51,106 0.246,107 0.562,108 0.718,109 0.825,110 0.84,111 0.861,112 3.531,113 0.927,114 -5.61,115 -5.48,116 -5.12,119 41,121 2,125 6,127 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 3,176 3,178 9,181 1,182 4,186 3,189 8,193 7,199 3,203 9,206 1,211 1,215 6,218 1,226 5,229 2,236 1,237 4,244 1,249 2,252 1,256 2,259 2034,260 22.739,261 22.739,262 22.739,263 22.739,264 22.739,265 20.248,266 22.758,267 13.524,268 23.306,269 18.297,270 18.297,271 18.297,272 18.297,273 18.297,274 14.647,275 22.714,276 6.465,277 19.255,278 4.397,279 2.424,280 1.454,281 0.787,282 0.689,283 0.557,284 4.241,288 1,289 1,290 1096,291 3.391,294 177.407,295 340.587,298 151.263,302 2.408,303 31.79,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 72,315 492,316 4.571,317 3.243,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.162,326 3.184,327 6.098,328 3.775,329 2.809,330 3.774,331 0.8,332 8.897,333 2.71,334 4.131,335 3.05,336 6.024,337 3.703,338 2.767,339 3.732,341 8.561,342 2.589,343 3.703,344 2.903,345 5.565,346 3.597,347 2.671,348 2.848,350 7.606,351 2.464,352 3.494,353 2.764,354 5.304,355 3.302,356 2.374,357 2.683,359 6.803,360 2.196,361 3.306,362 2.443,363 5.122,364 3.011,365 2.068,366 2.595,368 6.156,369 1.948,370 3.228,371 2.042,372 4.653,373 2.759,374 1.813,375 2.334,377 4.867,378 1.708,379 2.943,380 1.991,381 4.506,382 2.661,383 1.71,384 2.085,386 4.647,387 1.614,388 2.872,389 1.787,390 4.202,391 2.504,392 1.526,393 1.989,395 3.887,396 1.488,397 2.831,398 1.529,399 4.072,400 2.378,401 1.414,402 1.917,404 3.307,405 1.346,406 2.686,407 1.286,408 3.604,409 2.204,410 1.236,411 1.753,413 2.985,414 1.193,415 2.383,416 1.146,417 3.414,418 1.967,419 1,420 1.331,422 2.275,423 0.965,424 2.118,425 0.975,426 3.341,427 1.883,428 0.922,429 1,431 2.146,432 0.884,433 2.077,434 0.845,435 3.228,436 1.707,437 0.731,438 0.927,440 1.696,441 0.711,442 2,443 0.702,444 3.184,445 1.575,446 0.621,447 0.899,449 1.517,450 0.591,451 15.471,452 0.469,453 0.691,454 0.021,455 40.25,456 1.22,457 18,458 0.545,459 22.25,460 0.674,461 29.779,462 0.902,463 36.129,464 0.592,465 29.775,466 0.902,467 8.109,468 0.246,469 8.044,470 0.244,471 0.037,473 0.304,474 1,477 1,479 0.618,480 1.219,481 0.75,482 1.144,483 0.497,484 1.008,485 0.925,486 1.003,487 0.957,488 0.957,489 0.686,490 0.949,491 1.008,492 0.983,493 1.092,494 1.061,495 0.974,496 1.088,497 0.849,498 1.108,499 1.002,500 1.191,501 0.876,502 1.15,503 1.062,504 0.943,505 0.915,506 0.883,507 1.178,508 0.877,509 1.137,510 0.987,511 0.985,512 0.907,513 1.152,514 0.912,515 1.021,516 1.11,517 1.051,518 1.134,519 1.109,520 1.113,521 1.184,522 0.977,523 1.137,524 0.995,525 1.237,526 1.044,527 6,528 0.144,529 3.556,530 1.507,531 1.383,532 1.038,533 0.549,534 0.379,535 0.265,536 0.213,537 19153,538 50207,539 2.168,540 45.9,542 20,543 1,544 2,545 1,547 4,550 1.746,551 2.084,552 3.829,553 -0.352,559 93.563,560 1.534,561 3.507,562 4.477,563 5.144,564 5.242,565 5.373,566 3.268,567 4.741,568 5.016,569 4.052,570 2139.54,571 8.746,572 34292.5,574 1,577 361.775,578 1.182,579 4.999,580 0.162,581 0.006,582 0.07,583 0.031,584 0.032,585 0.025,586 0.013,587 0.01,588 0.009,589 0.008,590 0.366,591 0.33,592 0.75,593 0.398,594 179.883,595 0.014,596 -0.162,597 0.068,598 -0.078,599 0.005,600 -0.014,601 -0.094,602 0.023,603 -0.055,604 0.032,605 -0.017,606 0.008,607 -0.069,608 0.037,609 -0.141,610 -0.045,611 -0.039,612 -0.095,613 -0.019,614 -0.184,615 -0.043,616 -0.168,617 -0.004,618 -0.125,619 0.034,620 0.019,621 0.125,622 0.09,623 -0.018,624 0.117,625 -0.048,626 0.021,627 0.026,628 0.066,629 -0.053,630 0.064,631 -0.001,632 -0.095,633 -0.069,634 -0.137,635 -0.06,636 -0.126,637 -0.081,638 0.01,639 -0.113,640 -0.035,641 -0.101,642 -0.07,643 2.271,644 7.027,645 0.788,646 41.581,647 1.004,648 1.142,649 4.383,650 19.213,651 0.656,652 3.638,653 3.951,654 4.22,655 4.466,656 4.635,657 4.71,658 4.852,659 4.97,660 5.037,661 5.106,662 8.79,663 0.627,664 450.59,665 3.638,666 5.176,667 6.023,668 6.891,669 7.751,670 8.621,671 9.487,672 10.361,673 11.231,674 12.107,675 9.8,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 61,716 21,717 2,718 37,720 65,721 25,722 16,723 5,724 7,728 1,730 5,731 6,743 3,745 16,746 9,762 2,764 28,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 2,827 33,833 8,837 1,838 2,844 1,846 2,854 15.833,855 10.702,856 7.194,857 3.734,858 3.61,859 1.438,860 1.023,861 6.701,862 11.848,863 3.882,864 4.466,865 5.048,866 5.623,867 6.055,868 6.387,869 6.821,870 7.237,871 7.445,872 7.68,873 0.9,874 48,875 12.301,877 5.326,878 7.737,879 23.732,881 19.992,883 2.237,884 73.833,887 1,888 317.82,889 135.467,890 58.259,893 29.92,895 135.467,896 317.82,897 88.179,899 19.883,900 75.381,901 74.105,902 45.755,903 43.835,904 282.506,906 317.82,907 193.726,908 29.92,911 300.656,912 47.084,915 62.053,916 98.347,917 33.326,919 347.74,920 58.259,921 135.467,924 319.999,925 40.669,926 100.766,927 16.786,928 63.246,929 317.82,930 88.179,931 135.467,933 0.579,934 0.337,935 0.18,936 0.091,937 25,938 10,939 0.123,940 8,941 1,942 1.077,943 4.661,944 297.367,945 0.077,946 26,947 158.465,951 22.059,952 10.025,953 5.26,954 2.027,955 69.495,956 18.213,957 7.715,958 3.253,961 2.559,962 1.842,963 16.786,964 541.466,965 47.5,975 61.239,976 69.652,977 0.259,978 0.591,979 0.755,980 0.867,981 0.884,982 0.906,983 5.113,984 1.71,985 5.989,986 4.867,987 4.635,988 5.153,989 1.072,990 6.765,991 4.537,992 6.293,993 1.526,994 7.522,995 4.647,996 4.111,997 4.844,998 0.57,999 7.573,1000 3.938,1001 7.58,1002 1.414,1003 9.153,1004 3.887,1005 6.196,1006 7.327,1007 0.653,1008 10.655,1009 6.014,1010 8.904,1011 1.236,1012 10.842,1013 3.307,1014 6.524,1015 7.949,1016 0.479,1017 12.317,1018 6.279,1019 10.264,1020 1,1021 12.57,1022 2.985,1023 8.028,1024 9.845,1025 0.432,1026 14.888,1027 7.774,1028 11.65,1029 0.922,1030 14.325,1031 2.275,1032 8.751,1033 10.914,1034 0.346,1035 16.909,1036 8.453,1037 13.057,1038 0.731,1039 16.099,1040 2.146,1041 10.016,1042 12.569,1043 0.291,1044 19.307,1045 9.706,1046 3.126,1047 0.621,1048 17.888,1049 1.696,1050 10.931,1051 13.856,1052 0.237,1053 21.49,1054 10.592,1055 2.809,1056 10.462,1057 19.688,1058 1.517,1059 12.095,1060 15.411,1061 0.195,1062 23.83,1063 11.742,1064 2.767,1065 8.897,1066 21.498,1067 4.519,1068 13.105,1069 16.804,1070 0.158,1071 26.089,1072 12.732,1073 2.671,1074 8.561,1075 23.315,1076 3.774,1077 14.228,1078 18.318,1079 0.129,1080 28.414,1081 13.843,1082 2.374,1083 7.606,1084 25.14,1085 3.732,1086 15.286,1087 19.764,1088 0.104,1089 30.711,1090 14.886,1091 2.068,1092 6.803,1093 26.969,1094 2.848,1095 16.396,1096 21.264,1097 0.084,1098 33.036,1099 15.984,1100 1.813,1101 6.156,1102 28.804,1103 2.683,1104 17.479,1105 22.736,1106 0.068,1107 35.351,1108 17.056,1109 17548,1110 28565,1111 25.542,1112 40.046,1113 55.646,1114 55.447,1115 55.814,1116 55.144,1117 55.008,1118 70.573,1119 3.2,1120 154.841,1121 52.242,1122 5.571,1123 5.243,1124 6.262,1125 5.174,1126 5.126,1127 7.519,1128 1.2,1129 17.208,1130 5.068,1131 11.016,1132 1.504,1133 1.499,1134 1.508,1135 1.49,1136 1.487,1137 1.907,1138 0.086,1139 4.185,1140 1.412,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.201,1146 4.07,1147 3.95,1148 3.995,1149 3.883,1150 3.865,1151 8.19,1152 3.864,1153 3.844,1154 3.912,1155 3.792,1156 3.651,1157 5.135,1158 3.664,1159 3.814,1160 3.882,1161 3.724,1162 3.578,1163 4.925,1164 3.616,1165 3.56,1166 3.627,1167 3.45,1168 3.379,1169 4.651,1170 3.387,1171 3.351,1172 3.421,1173 3.224,1174 3.201,1175 4.366,1176 3.194,1177 3.251,1178 3.322,1179 3.121,1180 3.078,1181 4.252,1182 3.08,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.95,1188 2.91,1189 0.124,1190 0.088,1191 0.178,1192 0.111,1193 0.084,1194 4.571,1195 0.122,1196 3.243,1197 0.022,1198 6.572,1199 0.283,1200 4.106,1201 0.083,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.058,1210 2.064,1211 1.363,1212 2.065,1213 1.918,1214 1.888,1215 2.036,1216 2.044,1217 1.254,1218 2.043,1219 1.793,1220 1.727,1221 1.974,1222 1.974,1223 1.177,1224 1.979,1225 1.642,1226 1.586,1227 1.828,1228 1.827,1229 1.065,1230 1.831,1231 1.418,1232 1.346,1233 1.651,1234 1.672,1235 0.857,1236 1.653,1237 1.377,1238 1.31,1239 1.548,1240 1.585,1241 0.825,1242 1.593,1243 1.247,1244 1.179,1245 1.513,1246 1.457,1247 0.696,1248 1.472,1249 1.153,1250 1.064,1251 1.464,1252 1.442,1253 0.579,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.127,1260 5.283,1261 8.705,1262 7.286,1263 10.326,1267 28.846,1271 5.784,1275 -0.937,1276 4.532,1280 38.217,1281 93.563,1282 213.908,1283 273.104,1284 313.775,1285 319.775,1286 327.775,1287 59.289,1288 8.239,1289 52.98,1290 52.98,1291 28,1292 12.647,1293 4.459,1294 3.524,1295 48.258,1296 176,1297 161,1298 0.13,1299 230.428,1300 390.04,1301 554.003,1302 54271,1303 3.3,1304 22.623,1305 0.686,1306 0.561,1307 20.882,1308 18.5,1309 16.153,1310 0.437,1311 0.309,1312 11.236,1313 15.409,1314 11.062,1315 9.057,1316 15.348,1317 11.427,1318 14.442,1319 0.283,1320 0.171,1321 13.278,1322 8.698,1323 12.311,1324 0.184,1325 0.097,1326 11.53,1327 6.486,1328 10.239,1329 0.119,1330 0.053,1331 9.52,1332 4.588,1333 7.806,1334 0.077,1335 0.031,1336 7.34,1337 3.167,1338 0.213,1339 101.904,1340 0.198,1341 31.569,1342 0.333,1343 176,1344 562.781,1345 194.846,1346 495.582,1347 668.06,1348 466,1349 206,1350 481.809,1351 225.682,1352 478.005,1353 695.74,1354 450,1355 8.328} {0 CHEMBL292274,1 1.253,2 5.813,3 3.078,4 9.473,5 68.022,6 6.304,7 0.556,8 3.608,9 3.75,10 3.062,11 3.171,12 4.514,13 3.112,14 4.192,15 4.405,16 3.421,17 3.613,18 4.979,19 3.528,20 4.435,21 4.661,22 3.435,23 3.79,24 5.173,25 3.653,26 4.584,27 4.856,28 3.284,29 3.793,30 5.243,31 3.6,32 4.543,33 4.864,34 2.996,35 3.584,36 5.12,37 3.349,38 4.187,39 4.507,40 2.755,41 3.224,42 4.826,43 3.02,44 3.812,45 4.093,46 2.31,47 2.925,48 4.564,49 2.707,50 3.656,51 4.015,52 1.168,53 2.451,54 4.22,55 2.086,56 0.045,57 0.501,58 8.301,59 3.245,60 6.504,61 4.79,62 0.113,63 0.842,64 15.092,65 5.49,66 9.884,67 8.275,68 0.115,69 1.023,70 19.008,71 7.593,72 12.144,73 11.144,74 0.119,75 1.096,76 21.846,77 8.919,78 14.495,79 13.056,80 0.124,81 0.979,82 20.914,83 8.137,84 14.82,85 12.127,86 0.137,87 0.703,88 14.817,89 5.255,90 12.22,91 8.002,92 0.076,93 0.497,94 10.12,95 3.645,96 10.779,97 5.542,98 0.076,99 0.367,100 8.576,101 2.898,102 9.154,103 4.51,104 6,105 26,106 0.234,107 0.583,108 0.761,109 0.81,110 0.821,111 0.821,112 2.856,113 1,114 -3.91,115 -3.87,116 -3.67,119 41.2,121 3,124 2,127 1,140 3,141 3,149 1,150 1,169 8,172 2,176 3,178 11,182 2,186 2,189 11,193 2,197 2,199 5,203 2,208 1,211 1,215 1,218 1,220 1,259 230,260 10.861,261 10.861,262 10.861,263 10.861,264 10.861,265 9.704,266 10.393,267 6.266,268 11.034,269 8.877,270 8.877,271 8.877,272 8.877,273 8.877,274 7.106,275 12.112,276 2.943,277 9.137,278 3.834,279 1.966,280 1.008,281 0.75,282 0.691,283 0.691,284 3.53,288 1,289 1,290 203,291 2.345,294 24.621,295 53.173,298 41.914,299 45.494,302 0.859,303 4.59,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 33,315 93,316 4.593,317 3.329,318 6.72,319 4.17,320 3.179,321 4.525,322 0.8,323 10.947,324 3.152,325 3.874,326 2.896,327 5.942,328 3.651,329 2.697,330 3.29,332 8.293,333 2.575,334 3.565,335 2.506,336 5.651,337 3.291,338 2.321,339 2.647,341 7.346,342 2.246,343 3.178,344 1.942,345 4.764,346 2.751,347 1.761,348 2.463,350 5.029,351 1.741,352 2.644,353 1.428,354 3.861,355 2.247,356 1.284,357 1.705,359 2.973,360 1.235,361 2.318,362 1.311,363 3.75,364 2.163,365 1.193,366 1.307,368 2.858,369 1.153,370 2.085,371 0.914,372 3.424,373 1.793,374 0.821,375 0.992,377 2.058,378 0.797,379 1.903,380 0.599,381 3.134,382 1.515,383 0.54,384 0.737,386 1.317,387 0.526,388 0.887,389 -0.202,390 2.513,391 0.613,392 -0.372,393 -0.434,395 -0.95,396 -0.365,397 0.632,398 -0.529,399 2.334,400 0.299,401 -0.691,402 -0.808,404 -1.902,405 -0.683,406 0.252,407 -0.6,408 2.18,409 -0.042,410 -1,411 -1,413 -2,414 -0.9,416 -0.98,417 1.815,418 -0.1,419 -1.031,420 -1.39,422 -3.009,423 -1.018,424 -0.081,425 -1.192,426 1.514,427 -0.407,428 -1.371,429 -1.625,431 -3.876,432 -1.311,433 -0.17,434 -1.509,435 1.343,436 -0.632,437 -1.604,438 -1.981,440 -4.87,441 -1.54,442 -0.444,443 -1.621,444 1,445 -0.818,446 -1.766,447 -2.148,449 -5.222,450 -1.699,451 7.8,452 0.488,453 0.418,454 0.026,455 18.25,456 1.141,457 8,458 0.5,459 10.25,460 0.641,461 12.92,462 0.807,463 17.4,464 0.512,465 9.962,466 0.623,467 3.45,468 0.216,469 4.304,470 0.269,471 0.128,473 0.372,479 1.106,480 1.344,481 0.954,482 1.105,483 1.04,484 1.034,485 1.519,486 0.927,487 0.963,488 0.828,489 0.857,490 0.851,491 1.067,492 1.102,493 1.13,494 1.13,495 0.969,496 1.134,497 0.717,498 1.096,499 1.058,500 1.148,501 0.955,502 1.131,503 0.642,504 0.981,505 0.878,506 0.976,507 0.857,508 0.949,509 1.012,510 0.862,511 0.9,512 0.859,513 0.834,514 0.869,515 1.401,516 1.198,517 1.329,518 1.253,519 1.512,520 1.28,521 1.48,522 0.851,523 1.22,524 0.991,525 1.878,526 1.071,527 3,529 2.222,530 0.813,531 0.898,532 0.493,533 0.215,534 0.137,537 1861,538 3337,539 2.135,540 52.9,541 2,542 10,543 1,545 1,547 4,550 1.556,551 2,552 2.635,553 -0.352,555 1,556 1,557 1,559 42.612,560 1.253,561 3.121,562 4.08,563 4.337,564 4.396,565 4.396,566 1.924,567 3.75,568 3.976,569 2.685,570 322.155,571 6.714,572 2705.9,573 1,574 1,576 1,577 172.974,578 1.406,579 3.933,580 0.167,582 0.085,583 0.032,584 0.045,585 0.035,586 0.02,587 0.023,590 0.407,591 1,592 1,593 0.875,594 62.451,595 0.052,596 -0.131,597 0.078,598 -0.015,599 0.041,600 0.025,601 -0.162,602 0.212,603 0.064,604 0.182,605 0.069,606 0.147,607 -0.142,608 -0.044,609 -0.149,610 -0.101,611 -0.093,612 -0.121,613 -0.02,614 -0.148,615 -0.11,616 -0.147,617 -0.096,618 -0.137,619 0.101,620 -0.112,621 0.062,622 -0.028,623 0.028,624 0.007,625 0.151,626 0.058,627 0.073,628 0.05,629 0.185,630 0.055,631 -0.245,632 -0.221,633 -0.355,634 -0.316,635 -0.249,636 -0.339,637 -0.287,638 -0.002,639 -0.268,640 -0.139,641 -0.55,642 -0.191,643 0.631,644 0.8,645 0.813,646 7.422,647 0.979,648 1.127,649 2.682,650 7.193,651 0.65,652 2.944,653 3.296,654 3.611,655 3.892,656 4.127,657 4.248,658 4.331,659 4.357,660 4.304,661 4.078,662 3.772,663 0.596,664 214.34,665 2.944,666 4.489,667 5.361,668 6.256,669 7.149,670 8.049,671 8.948,672 9.85,673 10.752,674 11.655,675 5.9,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 34,716 10,717 1,718 18,720 36,721 14,722 8,723 4,724 2,730 3,731 6,740 4,743 4,745 8,746 6,761 1,764 18,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 16,833 3,837 1,838 1,854 8,855 6.617,856 3.444,857 2.106,858 2.121,859 1.328,860 1.011,861 2.341,862 8.598,863 3.178,864 3.812,865 4.456,866 5.083,867 5.576,868 5.946,869 6.3,870 6.63,871 6.533,872 6.551,873 0.75,874 25,875 5.933,877 2.502,878 7.313,879 11.996,881 10.338,883 1.813,884 29,885 0.009,888 200.109,889 72.961,890 19.91,895 72.961,896 200.109,897 19.91,898 16.793,899 7.604,900 37.476,902 28.854,903 13.915,904 188.338,906 200.109,907 92.871,911 153.024,912 47.084,915 27.513,916 65.357,919 200.109,920 19.91,921 72.961,924 200.109,925 18.692,926 57.393,927 16.786,929 200.109,930 19.91,931 72.961,933 0.592,934 0.353,935 0.189,936 0.102,937 15,938 6,939 0.028,940 1,941 2,942 1.308,943 2.823,944 116.024,945 0.308,946 13,947 62,951 10.064,952 3.722,953 1.621,954 2.696,955 3.124,956 8.765,958 3.3,961 3.105,963 16.786,964 292.979,965 23,975 33.272,976 38.318,977 0.246,978 0.613,979 0.802,980 0.853,981 0.864,982 0.864,983 4.425,984 0.54,985 5.361,986 2.058,987 3.97,988 4.494,989 0.673,990 6.209,991 3.922,992 5.634,993 -0.372,994 6.944,995 1.317,996 3.611,997 4.388,998 0.325,999 7.186,1000 3.531,1001 6.953,1002 -0.691,1003 8.629,1004 -0.95,1005 5.595,1006 6.765,1007 0.379,1008 10.296,1009 5.51,1010 8.313,1011 -1,1012 10.372,1013 -1.902,1014 6.066,1015 7.556,1016 0.268,1017 12.098,1018 5.956,1019 9.71,1020 -1.031,1021 12.153,1022 -2,1023 7.525,1024 9.402,1025 0.239,1026 14.726,1027 7.413,1028 11.132,1029 -1.371,1030 13.958,1031 -3.009,1032 8.363,1033 10.595,1034 0.188,1035 16.863,1036 8.235,1037 12.574,1038 -1.604,1039 15.781,1040 -3.876,1041 9.62,1042 12.237,1043 0.156,1044 19.332,1045 9.49,1046 3.179,1047 -1.766,1048 17.617,1049 -4.87,1050 10.625,1051 13.609,1052 0.125,1053 21.612,1054 10.486,1055 2.697,1056 10.947,1057 19.463,1058 -5.222,1059 11.805,1060 15.171,1061 0.102,1062 24.028,1063 11.664,1064 2.321,1065 8.293,1066 21.317,1067 4.525,1068 12.886,1069 16.621,1070 0.082,1071 26.369,1072 12.738,1073 1.761,1074 7.346,1075 23.177,1076 3.29,1077 14.04,1078 18.151,1079 0.066,1080 28.768,1081 13.889,1082 1.284,1083 5.029,1084 25.043,1085 2.647,1086 15.156,1087 19.635,1088 0.054,1089 31.137,1090 15.001,1091 1.193,1092 2.973,1093 26.915,1094 2.463,1095 16.302,1096 21.152,1097 0.043,1098 33.53,1099 16.144,1100 0.821,1101 2.858,1102 28.79,1103 1.705,1104 17.436,1105 22.65,1106 0.035,1107 35.912,1108 17.272,1109 1845,1110 2528,1111 12.137,1112 22.103,1113 27.877,1114 27.573,1115 28.271,1116 27.605,1117 27.591,1118 35.332,1119 1.6,1120 81.64,1121 26.851,1122 5.538,1123 5.329,1124 6.227,1125 5.17,1126 5.179,1127 7.525,1128 1.2,1129 18.159,1130 5.152,1131 6.448,1132 1.549,1133 1.532,1134 1.571,1135 1.534,1136 1.533,1137 1.963,1138 0.089,1139 4.536,1140 1.492,1141 4.151,1142 4.184,1143 4.104,1144 4.078,1145 4.968,1146 4.08,1147 3.764,1148 3.832,1149 3.653,1150 3.612,1151 4.404,1152 3.613,1153 3.461,1154 3.542,1155 3.326,1156 3.283,1157 4.225,1158 3.283,1159 3.197,1160 3.268,1161 3.025,1162 3.05,1163 3.876,1164 3.034,1165 3.037,1166 3.124,1167 2.845,1168 2.873,1169 3.567,1170 2.854,1171 2.874,1172 3.009,1173 2.586,1174 2.619,1175 3.467,1176 2.602,1177 2.767,1178 2.846,1179 2.499,1180 2.618,1181 3.34,1182 2.57,1183 2.363,1184 2.491,1185 2.151,1186 2.176,1187 2.996,1188 2.158,1189 0.255,1190 0.185,1191 0.373,1192 0.232,1193 0.177,1194 4.593,1195 0.251,1196 3.329,1197 0.044,1198 6.72,1199 0.608,1200 4.17,1201 0.175,1202 3.179,1203 4.525,1204 0.8,1205 10.947,1206 3.152,1207 2.027,1208 2.002,1209 2.137,1210 2.11,1211 1.463,1212 2.121,1213 1.645,1214 1.583,1215 1.84,1216 1.848,1217 1.035,1218 1.85,1219 1.478,1220 1.418,1221 1.674,1222 1.697,1223 0.836,1224 1.697,1225 1.352,1226 1.269,1227 1.638,1228 1.55,1229 0.707,1230 1.586,1231 1.1,1232 1.021,1233 1.419,1234 1.305,1235 0.611,1236 1.349,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.853,1244 0.778,1245 1.13,1246 1.062,1247 0.315,1248 1.095,1249 0.645,1250 0.565,1251 1.001,1252 0.866,1253 0.137,1254 0.918,1255 3.611,1257 4.949,1258 2.398,1259 6.494,1260 4.595,1261 8.138,1262 6.605,1263 9.836,1265 4.375,1271 3.701,1275 0.702,1276 2.356,1280 20.257,1281 42.612,1282 106.113,1283 138.709,1284 147.464,1285 149.464,1286 149.464,1287 15.464,1288 6.477,1289 19.03,1290 19.03,1291 17,1292 12.175,1293 3.459,1294 2.585,1295 21.679,1296 36,1297 32,1298 0.315,1299 124.762,1300 203.32,1301 296.179,1302 4540,1304 11.121,1305 0.695,1306 0.622,1307 11.121,1308 9.955,1309 7.754,1310 0.431,1311 0.333,1312 5.941,1313 7.568,1314 5.707,1315 4.761,1316 7.754,1317 5.998,1318 7.173,1319 0.276,1320 0.192,1321 7.173,1322 5.002,1323 6.208,1324 0.172,1325 0.107,1326 6.208,1327 3.86,1328 5.206,1329 0.108,1330 0.059,1331 5.206,1332 2.817,1333 4.161,1334 0.068,1335 0.033,1336 4.161,1337 2.035,1338 0.46,1339 47.722,1340 0.287,1341 15.622,1342 0.969,1343 88,1344 169.978,1345 91.469,1346 172.849,1347 248.14,1348 164,1349 106,1350 190.732,1351 109.997,1352 199.692,1353 291.59,1354 187,1355 6.642} {0 CHEMBL292759,1 1.779,2 10.654,3 3.642,4 13.261,5 109.236,6 9.175,7 0.429,8 3.97,9 4.073,10 3.855,11 3.539,12 4.977,13 3.482,14 4.538,15 4.709,16 4.185,17 3.924,18 5.748,19 3.855,20 4.757,21 4.938,22 4.265,23 4.118,24 5.824,25 4,26 4.874,27 5.085,28 4.116,29 4.093,30 5.948,31 3.958,32 4.865,33 5.102,34 4.195,35 4.003,36 5.905,37 3.887,38 4.71,39 4.91,40 4.262,41 3.941,42 5.8,43 3.833,44 4.712,45 4.95,46 3.933,47 3.913,48 5.712,49 3.748,50 4.685,51 4.924,52 3.913,53 3.798,54 5.732,55 3.66,56 0.094,57 0.721,58 10.131,59 4.817,60 14.92,61 5.646,62 0.466,63 1.15,64 21.139,65 7.826,66 54.291,67 9.363,68 0.39,69 1.394,70 34.266,71 11.146,72 36.235,73 12.952,74 0.419,75 1.454,76 42.006,77 13.007,78 57.763,79 15.234,80 0.633,81 1.377,82 44.761,83 11.62,84 68.114,85 13.802,86 0.61,87 1.23,88 32.313,89 9.757,90 49.831,91 11.95,92 0.513,93 1.245,94 36.139,95 11.148,96 53.451,97 13.553,98 0.536,99 1.123,100 39.028,101 10.629,102 67.519,103 12.006,104 27,105 40,106 0.304,107 0.581,108 0.729,109 0.813,110 0.813,111 0.813,112 3.304,113 1.132,114 -3.21,115 -3.2,116 -3.07,117 1,119 37.5,124 2,125 4,140 7,142 5,169 3,171 1,172 2,174 2,176 2,178 5,181 2,182 7,186 3,189 5,193 9,195 1,197 2,203 3,206 1,211 4,214 3,215 3,220 1,222 6,225 2,226 3,229 1,233 2,237 4,244 2,248 2,249 2,256 1,259 996,260 17.135,261 17.135,262 17.135,263 17.135,264 17.135,265 15.396,266 22.333,267 9.887,268 17.867,269 13.731,270 13.731,271 13.731,272 13.731,273 13.731,274 11,275 27.909,276 4.611,277 14.897,278 3.806,279 2.179,280 1.316,281 0.823,282 0.823,283 0.823,284 3.981,288 1,289 1,290 584,291 3.391,295 270.216,302 1.527,303 29.026,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.25,315 277,316 4.857,317 4.686,318 7.308,319 4.313,320 3.394,321 4.707,322 0.86,323 12.509,324 3.095,325 4.339,326 3.304,327 6.519,328 3.986,329 3.041,330 3.949,331 0.8,332 10.259,333 2.868,334 3.842,335 2.862,336 5.4,337 3.412,338 2.479,339 3.397,340 0.8,341 6.961,342 2.309,343 3.602,344 2.782,345 5.262,346 3.308,347 2.402,348 2.869,350 6.496,351 2.157,352 3.426,353 2.456,354 5.072,355 3.104,356 2.172,357 2.531,359 6.154,360 1.99,361 3.102,362 2.401,363 4.923,364 2.87,365 1.962,366 2.261,368 5.602,369 1.777,370 3.056,371 1.727,372 4.628,373 2.503,374 1.565,375 2.18,377 4.573,378 1.368,379 2.5,380 1.321,381 3.984,382 2.109,383 1.137,384 1.5,386 3.063,387 1.103,388 2.468,389 1.146,390 3.414,391 2,392 1,393 1.46,395 2.275,396 1,397 2,398 1.084,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 1.808,407 1,408 3.253,409 1.531,410 0.652,411 0.728,413 1.183,414 0.567,415 1.152,416 0.65,417 2.921,418 0.845,419 -0.068,420 -0.079,422 -0.136,423 -0.056,424 1.118,425 0.218,426 2.645,427 0.804,428 -0.146,429 -0.155,431 -0.331,432 -0.125,433 1,434 0.023,435 2.445,436 0.563,437 -0.246,438 -0.312,440 -0.55,441 -0.168,442 0.945,443 -0.192,444 2.268,445 0.227,446 -0.72,447 -0.841,449 -1.888,450 -0.67,451 13.367,452 0.514,453 0.786,454 0.03,455 33.25,456 1.279,457 16.5,458 0.635,459 16.75,460 0.644,461 22.777,462 0.876,463 28.633,464 0.597,465 24.533,466 0.944,467 6.333,468 0.244,469 6.053,470 0.233,471 0.224,472 0.062,473 0.247,479 0.634,480 1.536,481 0.552,482 1.136,483 0.662,484 0.977,485 0.984,486 0.973,487 0.611,488 0.708,489 0.553,490 0.761,491 0.988,492 1.079,493 0.942,494 1.034,495 0.834,496 1.051,497 1.032,498 1.153,499 0.76,500 1.085,501 1.044,502 1.071,503 1.27,504 0.832,505 0.324,506 0.628,507 1.349,508 0.775,509 0.876,510 1.069,511 0.646,512 0.958,513 0.891,514 1.035,515 0.608,516 1.011,517 0.646,518 1.001,519 0.594,520 0.995,521 1.406,522 0.875,523 0.689,524 0.918,525 1.54,526 0.808,527 7,528 0.132,529 3.778,530 1.938,531 1.618,532 1.035,533 0.687,534 0.604,535 0.254,536 0.142,537 7482,538 22758,539 2.005,540 45.8,542 21,545 1,550 1.693,551 1.846,552 3.362,553 -0.256,555 1,559 85.402,560 1.779,561 3.406,562 4.269,563 4.762,564 4.762,565 4.762,566 2.841,567 4.008,568 4.671,569 3.494,570 1135.58,571 8.106,572 14048.2,574 1,576 1,577 268.078,578 1.648,579 4.606,580 0.25,581 0.008,582 0.094,583 0.047,584 0.044,585 0.03,586 0.021,587 0.021,588 0.009,589 0.007,590 0.531,591 0.33,592 1,593 0.819,594 126.682,595 0.075,596 -0.297,597 0.054,598 -0.126,599 -0.138,600 -0.021,601 0.054,602 0.174,603 0.03,604 0.172,605 0.271,606 0.137,607 -0.081,608 0.015,609 -0.074,610 -0.055,611 0.009,612 -0.095,613 -0.064,614 -0.165,615 -0.053,616 -0.131,617 0.023,618 -0.099,619 -0.115,620 0.117,621 0.121,622 0.18,623 -0.114,624 0.142,625 0.159,626 -0.071,627 0.083,628 -0.085,629 0.024,630 -0.098,631 0.209,632 -0.013,633 0.005,634 -0.04,635 0.14,636 -0.01,637 -0.181,638 0.074,639 0.016,640 0.082,641 -0.1,642 0.16,643 4.561,644 5.62,645 0.692,646 22.178,647 1.009,648 1.126,649 1.978,650 3.913,651 0.687,652 3.367,653 3.714,654 3.932,655 4.143,656 4.382,657 4.419,658 4.466,659 4.533,660 4.489,661 4.533,662 6.124,663 0.639,664 440.4,665 3.367,666 4.92,667 5.759,668 6.642,669 7.502,670 8.388,671 9.254,672 10.143,673 11.012,674 11.901,675 6.3,678 1,680 1,681 1,688 7,693 5,695 12,709 1,712 1,713 1,714 48,716 14,717 2,718 28,719 1,720 50,721 18,722 12,723 5,724 7,730 3,731 3,745 12,746 6,750 2,753 1,755 2,761 1,764 22,765 6,766 1,767 8,768 2,773 3,777 1,778 3,793 3,815 1,819 3,821 1,822 1,823 2,827 26,830 1,833 4,834 1,835 1,838 2,846 1,847 6.3,850 2,852 1,854 14.083,855 9.043,856 5.681,857 2.658,858 2.139,859 1.305,860 0.982,861 6.125,862 9.153,863 3.611,864 4.22,865 4.677,866 5.175,867 5.679,868 5.865,869 6.074,870 6.237,871 6.395,872 6.676,873 1,874 41,875 9.856,877 4.355,878 7.808,879 18.488,881 15.18,883 2.308,884 60,887 1,888 247.193,889 115.206,890 68.608,892 55.313,894 5.807,895 155.353,896 302.506,897 22.654,898 19.279,899 8.423,900 72.141,901 60.718,902 32.611,904 247.193,905 45.954,906 247.193,907 132.052,908 55.313,909 5.807,910 45.954,911 247.193,912 55.313,915 11.547,916 104.1,917 22.212,918 45.954,919 247.193,920 77.966,921 161.16,923 5.807,924 247.193,925 23.786,926 91.862,927 62.359,928 55.313,929 247.193,930 77.966,931 161.16,933 0.59,934 0.337,935 0.17,936 0.098,937 19,938 9,939 0.1,940 5,942 1,943 3.685,944 216.08,946 18,947 112.211,950 1,951 19.488,952 8.172,953 4.727,955 77.966,956 11.896,961 3.205,963 16.405,964 486.32,965 36,968 -3.644,970 25.24,975 48.429,976 54.037,977 0.319,978 0.61,979 0.764,980 0.853,981 0.853,982 0.853,983 4.868,984 1.137,985 5.79,986 4.573,987 4.394,988 4.905,989 1.481,990 6.637,991 4.243,992 6.101,993 1,994 7.385,995 3.063,996 4.205,997 5.027,998 0.57,999 7.854,1000 3.911,1001 7.453,1002 1,1003 9.092,1004 2.275,1005 6.08,1006 7.198,1007 1.104,1008 10.865,1009 5.777,1010 8.847,1011 0.652,1012 10.87,1013 2.275,1014 6.673,1015 8.125,1016 0.479,1017 12.912,1018 6.228,1019 10.278,1020 -0.068,1021 12.695,1022 1.183,1023 8.093,1024 9.87,1025 0.854,1026 15.55,1027 7.628,1028 11.736,1029 -0.146,1030 14.556,1031 -0.136,1032 9.028,1033 11.136,1034 0.346,1035 17.897,1036 8.433,1037 13.216,1038 -0.246,1039 16.442,1040 -0.331,1041 10.292,1042 12.74,1043 0.661,1044 20.437,1045 9.653,1046 3.394,1047 -0.72,1048 18.349,1049 -0.55,1050 11.377,1051 14.154,1052 0.237,1053 22.889,1054 10.622,1055 3.041,1056 12.509,1057 20.271,1058 -1.888,1059 12.59,1060 15.711,1061 0.505,1062 25.406,1063 11.772,1064 2.479,1065 10.259,1066 22.206,1067 4.707,1068 13.741,1069 17.191,1070 0.158,1071 27.897,1072 12.818,1073 2.402,1074 6.961,1075 24.15,1076 3.949,1077 14.942,1078 18.733,1079 0.382,1080 30.41,1081 13.941,1082 2.172,1083 6.496,1084 26.102,1085 3.397,1086 16.123,1087 20.245,1088 0.104,1089 32.917,1090 15.023,1091 1.962,1092 6.154,1093 28.06,1094 2.869,1095 17.323,1096 21.783,1097 0.285,1098 35.432,1099 16.137,1100 1.565,1101 5.602,1102 30.022,1103 2.531,1104 18.518,1105 23.311,1106 0.068,1107 37.947,1108 17.236,1109 7370,1110 13080,1111 18.087,1112 32.995,1113 41.712,1114 43.164,1115 43.626,1116 41.858,1117 41.605,1118 53.163,1119 4.92,1120 122.7,1121 38.399,1122 5.857,1123 6.686,1124 6.849,1125 5.381,1126 5.394,1127 7.707,1128 1.72,1129 19.857,1130 5.095,1131 14.559,1132 1.49,1133 1.542,1134 1.558,1135 1.495,1136 1.486,1137 1.899,1138 0.176,1139 4.382,1140 1.371,1141 4.095,1142 4.086,1143 6.88,1144 4.079,1145 7.717,1146 3.997,1147 3.928,1148 3.957,1149 4.735,1150 3.836,1151 6.999,1152 3.836,1153 3.745,1154 3.802,1155 3.894,1156 3.6,1157 4.862,1158 3.575,1159 3.593,1160 3.571,1161 3.622,1162 3.524,1163 4.707,1164 3.455,1165 3.238,1166 3.306,1167 3.554,1168 2.969,1169 4.413,1170 2.977,1171 3.19,1172 3.284,1173 3.079,1174 2.941,1175 4.343,1176 2.94,1177 3.111,1178 3.206,1179 3.013,1180 2.94,1181 3.882,1182 2.91,1183 2.854,1184 2.925,1185 2.866,1186 2.735,1187 3.735,1188 2.715,1189 0.173,1190 0.167,1191 0.261,1192 0.154,1193 0.121,1194 4.857,1195 0.168,1196 4.686,1197 0.031,1198 7.308,1199 0.447,1200 4.313,1201 0.111,1202 3.394,1203 4.707,1204 0.86,1205 12.509,1206 3.095,1207 1.975,1208 1.981,1209 2.033,1210 2.079,1211 1.306,1212 2.09,1213 1.888,1214 1.862,1215 1.943,1216 1.995,1217 1.173,1218 2.021,1219 1.706,1220 1.639,1221 1.892,1222 1.886,1223 1.039,1224 1.894,1225 1.418,1226 1.457,1227 1.571,1228 1.593,1229 0.825,1230 1.62,1231 1.181,1232 1.111,1233 1.539,1234 1.483,1235 0.646,1236 1.512,1237 1.169,1238 1.068,1239 1.513,1240 1.427,1241 0.592,1242 1.468,1243 1.153,1244 1.064,1245 1.181,1246 1.376,1247 0.538,1248 1.429,1249 0.886,1250 0.821,1251 1.166,1252 1.062,1253 0.279,1254 1.107,1255 4.043,1257 5.38,1259 6.913,1261 8.529,1263 10.186,1264 3.315,1265 3.72,1271 3.654,1272 2.658,1273 5.471,1276 4.485,1280 30.689,1281 85.402,1282 163.472,1283 204.917,1284 228.568,1285 228.568,1286 228.568,1287 52.555,1288 7.014,1289 61.88,1290 70.26,1291 18,1292 12.435,1293 3.907,1294 3.17,1295 44.252,1296 95,1297 100,1298 0.229,1299 199.104,1300 342.4,1301 477.575,1302 9489,1303 2.1,1304 18.734,1305 0.721,1306 0.661,1307 19.984,1308 17.178,1309 12.386,1310 0.442,1311 0.377,1312 8.317,1313 10.512,1314 7.888,1315 6.546,1316 13.785,1317 10.564,1318 11.681,1319 0.292,1320 0.221,1321 13.798,1322 8.834,1323 9.283,1324 0.186,1325 0.126,1326 10.965,1327 6.325,1328 7.295,1329 0.118,1330 0.068,1331 8.65,1332 4.19,1333 5.963,1334 0.075,1335 0.042,1336 7.31,1337 3.303,1338 0.356,1339 94.668,1340 0.235,1341 24.974,1342 0.639,1343 136,1344 418.345,1345 251.821,1346 456.373,1347 602.83,1348 420,1349 158,1350 381.96,1351 245.589,1352 437.681,1353 633.48,1354 406,1355 6.6} {0 CHEMBL292779,1 1.464,2 15.031,3 4.188,4 17.543,5 128.522,6 7.092,7 0.583,8 4.21,9 4.349,10 3.751,11 3.731,12 5.232,13 3.705,14 4.778,15 4.979,16 4.081,17 4.151,18 5.725,19 4.096,20 5.04,21 5.281,22 4.039,23 4.303,24 5.883,25 4.186,26 5.127,27 5.393,28 3.945,29 4.305,30 5.894,31 4.145,32 5.144,33 5.45,34 3.859,35 4.205,36 5.86,37 4.041,38 4.966,39 5.245,40 3.862,41 4.119,42 5.752,43 3.988,44 4.922,45 5.182,46 3.858,47 4.107,48 5.728,49 3.975,50 4.958,51 5.245,52 3.696,53 4.027,54 5.775,55 3.877,56 0.055,57 1.027,58 13.424,59 5.389,60 9.82,61 7.582,62 0.254,63 1.659,64 25.677,65 8.862,66 22.694,67 12.892,68 0.323,69 1.957,70 34.812,71 12.736,72 33.812,73 18.259,74 0.237,75 1.977,76 38.538,77 14.568,78 35.456,79 21.262,80 0.413,81 1.891,82 41.296,83 13.839,84 45.363,85 20.788,86 0.41,87 1.693,88 33.67,89 11.171,90 36.039,91 16.823,92 0.249,93 1.658,94 31.25,95 11.161,96 27.041,97 16.506,98 0.405,99 1.683,100 34.136,101 11.019,102 44.457,103 16.143,104 2,105 49,106 0.235,107 0.547,108 0.718,109 0.825,110 0.835,111 0.856,112 3.501,113 0.949,114 -5.51,115 -5.39,116 -5.03,119 41,121 3,125 6,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 4,176 3,178 11,181 1,182 4,186 3,189 8,193 8,197 1,199 4,203 9,206 1,211 2,215 7,218 1,222 1,226 6,229 2,233 1,236 1,237 5,244 2,249 2,252 1,256 4,259 1846,260 22.239,261 22.239,262 22.239,263 22.239,264 22.239,265 19.776,266 25.503,267 13.32,268 22.761,269 17.819,270 17.819,271 17.819,272 17.819,273 17.819,274 14.164,275 26.851,276 6.379,277 18.676,278 4.467,279 2.515,280 1.454,281 0.787,282 0.721,283 0.59,284 4.215,288 1,289 1,290 1075,291 3.082,294 172.136,295 328.974,298 146.771,302 2.408,303 19.387,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 68.5,315 481,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.024,327 6.095,328 3.69,329 2.753,330 3.731,331 0.8,332 8.884,333 2.612,334 4.044,335 2.953,336 5.544,337 3.661,338 2.701,339 3.648,341 7.547,342 2.578,343 3.657,344 2.882,345 5.455,346 3.548,347 2.608,348 2.813,350 7.296,351 2.429,352 3.433,353 2.611,354 5.147,355 3.153,356 2.229,357 2.673,359 6.373,360 2.068,361 3.328,362 2.397,363 5.106,364 3.003,365 2.028,366 2.592,368 5.994,369 1.962,370 3.25,371 2.18,372 4.734,373 2.883,374 1.938,375 2.537,377 5.27,378 1.813,379 3.154,380 1.795,381 4.514,382 2.73,383 1.776,384 2.186,386 4.655,387 1.69,388 2.742,389 1.375,390 4.134,391 2.317,392 1.332,393 1.847,395 3.482,396 1.311,397 2.67,398 1.311,399 3.499,400 2.199,401 1.212,402 1.748,404 2.643,405 1.191,406 2.428,407 1.167,408 3.472,409 2.095,410 1.129,411 1.403,413 2.543,414 1.088,415 2.264,416 1.146,417 3.414,418 1.967,419 1,420 1.207,422 2.275,423 0.965,424 2.118,425 0.945,426 3.323,427 1.866,428 0.901,429 1,431 2.107,432 0.868,433 2.004,434 0.792,435 3.213,436 1.673,437 0.7,438 0.927,440 1.659,441 0.679,442 2,443 0.639,444 3.136,445 1.533,446 0.618,447 0.858,449 1.379,450 0.556,451 15.186,452 0.475,453 0.602,454 0.019,455 39.5,456 1.234,457 18,458 0.563,459 21.5,460 0.672,461 28.26,462 0.883,463 34.614,464 0.567,465 27.309,466 0.853,467 7.799,468 0.244,469 7.944,470 0.248,471 0.019,473 0.277,477 1,479 0.688,480 1.305,481 0.802,482 1.145,483 0.495,484 1.016,485 0.958,486 1.003,487 0.98,488 0.956,489 0.549,490 0.956,491 0.934,492 0.963,493 1.081,494 1.061,495 0.794,496 1.086,497 0.62,498 1.045,499 0.993,500 1.189,501 0.573,502 1.159,503 0.788,504 0.838,505 0.868,506 0.878,507 0.753,508 0.884,509 0.799,510 0.827,511 0.933,512 0.9,513 0.699,514 0.926,515 0.645,516 1.036,517 0.964,518 1.133,519 0.555,520 1.103,521 1.238,522 0.998,523 1.115,524 0.998,525 1.331,526 1.032,527 5.5,528 0.095,529 3.111,530 1.132,531 1.188,532 0.764,533 0.446,534 0.305,535 0.196,536 0.184,537 18428,538 45068,539 2.194,540 47.5,541 2,542 19,543 1,544 2,545 1,547 4,550 1.736,551 2.133,552 3.851,553 -0.372,559 89.287,560 1.464,561 3.415,562 4.477,563 5.144,564 5.209,565 5.341,566 3.281,567 4.5,568 4.972,569 4.077,570 2022.24,571 8.647,572 32331.5,574 1,577 361.775,578 1.043,579 4.964,580 0.153,581 0.004,582 0.063,583 0.025,584 0.03,585 0.021,586 0.012,587 0.008,588 0.007,589 0.007,590 0.332,591 0.33,592 0.75,593 0.313,594 173.911,595 0.048,596 -0.18,597 0.079,598 -0.079,599 0.056,600 -0.013,601 -0.076,602 0.052,603 -0.045,604 0.033,605 0.053,606 0.008,607 -0.093,608 0.022,609 -0.132,610 -0.047,611 -0.02,612 -0.085,613 0.017,614 -0.178,615 -0.054,616 -0.167,617 0.037,618 -0.131,619 0.017,620 0.003,621 0.122,622 0.09,623 0.005,624 0.116,625 0.036,626 0.072,627 0.044,628 0.068,629 0.006,630 0.059,631 0.057,632 -0.15,633 -0.016,634 -0.142,635 0.017,636 -0.102,637 -0.112,638 -0.013,639 -0.1,640 -0.037,641 -0.139,642 -0.061,643 1.808,644 5.346,645 0.813,646 40.316,647 0.996,648 1.136,649 4.282,650 18.332,651 0.658,652 3.611,653 3.912,654 4.174,655 4.419,656 4.585,657 4.654,658 4.771,659 4.898,660 4.97,661 5.024,662 8.956,663 0.62,664 432.6,665 3.611,666 5.142,667 5.984,668 6.845,669 7.699,670 8.565,671 9.425,672 10.294,673 11.159,674 12.03,675 9.8,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 61,716 21,717 2,718 36,720 65,721 25,722 16,723 5,724 7,730 5,731 6,743 3,745 16,746 9,762 1,764 29,765 5,766 1,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 1,827 32,833 9,838 2,844 1,846 1,854 15,855 10.726,856 7,857 3.847,858 3.601,859 1.439,860 1.023,861 6.515,862 11.81,863 3.861,864 4.443,865 5.026,866 5.607,867 6.037,868 6.368,869 6.783,870 7.204,871 7.403,872 7.619,873 0.9,874 45,875 11.844,877 5.017,878 7.563,879 23.329,881 19.6,883 2.063,884 66,887 1,888 329.591,889 135.822,890 58.259,893 14.96,895 135.822,896 329.591,897 73.219,899 20.238,900 75.381,901 74.105,902 45.755,903 28.875,904 294.278,906 329.591,907 194.081,908 14.96,911 297.467,912 47.084,915 62.408,916 98.347,917 33.326,919 344.551,920 58.259,921 135.822,924 329.591,925 43.204,926 100.766,927 16.786,928 48.286,929 329.591,930 73.219,931 135.822,933 0.575,934 0.331,935 0.178,936 0.09,937 24,938 9,939 0.123,940 8,941 1,942 1.077,943 4.665,944 280.86,945 0.077,946 26,947 152,951 21.173,952 9.846,953 5.221,954 2.446,955 54.535,956 18.983,957 7.814,958 3.402,961 3.387,962 1.935,963 16.786,964 538.632,965 46.5,975 60.727,976 69.312,977 0.247,978 0.576,979 0.755,980 0.867,981 0.878,982 0.9,983 5.083,984 1.776,985 5.938,986 5.27,987 4.595,988 5.13,989 1.072,990 6.696,991 4.507,992 6.257,993 1.332,994 7.456,995 4.655,996 4.007,997 4.796,998 0.57,999 7.466,1000 3.853,1001 7.54,1002 1.212,1003 9.072,1004 3.482,1005 6.138,1006 7.305,1007 0.653,1008 10.544,1009 5.969,1010 8.86,1011 1.129,1012 10.747,1013 2.643,1014 6.415,1015 7.906,1016 0.479,1017 12.192,1018 6.193,1019 10.217,1020 1,1021 12.461,1022 2.543,1023 7.946,1024 9.816,1025 0.432,1026 14.757,1027 7.711,1028 11.599,1029 0.901,1030 14.204,1031 2.275,1032 8.633,1033 10.871,1034 0.346,1035 16.781,1036 8.361,1037 13.001,1038 0.7,1039 15.968,1040 2.107,1041 9.912,1042 12.534,1043 0.291,1044 19.178,1045 9.626,1046 3.118,1047 0.618,1048 17.749,1049 1.659,1050 10.806,1051 13.815,1052 0.237,1053 21.372,1054 10.496,1055 2.753,1056 10.431,1057 19.543,1058 1.379,1059 11.977,1060 15.375,1061 0.195,1062 23.716,1063 11.653,1064 2.701,1065 8.884,1066 21.349,1067 4.518,1068 12.976,1069 16.767,1070 0.158,1071 25.984,1072 12.636,1073 2.608,1074 7.547,1075 23.164,1076 3.731,1077 14.103,1078 18.285,1079 0.129,1080 28.315,1081 13.75,1082 2.229,1083 7.296,1084 24.987,1085 3.648,1086 15.156,1087 19.732,1088 0.104,1089 30.618,1090 14.792,1091 2.028,1092 6.373,1093 26.817,1094 2.813,1095 16.269,1096 21.236,1097 0.084,1098 32.948,1099 15.893,1100 1.938,1101 5.994,1102 28.653,1103 2.673,1104 17.351,1105 22.71,1106 0.068,1107 35.269,1108 16.965,1109 16809,1110 26459,1111 25.137,1112 40.108,1113 53.788,1114 53.1,1115 53.594,1116 53.35,1117 53.251,1118 68.796,1119 3.2,1120 147.887,1121 50.863,1122 5.568,1123 5.197,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 8.126,1132 1.494,1133 1.475,1134 1.489,1135 1.482,1136 1.479,1137 1.911,1138 0.089,1139 4.108,1140 1.413,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 8.201,1146 4.07,1147 3.949,1148 3.994,1149 3.879,1150 3.865,1151 5.135,1152 3.863,1153 3.841,1154 3.911,1155 3.789,1156 3.652,1157 4.927,1158 3.662,1159 3.814,1160 3.882,1161 3.718,1162 3.578,1163 4.645,1164 3.616,1165 3.541,1166 3.613,1167 3.398,1168 3.38,1169 4.376,1170 3.379,1171 3.353,1172 3.423,1173 3.231,1174 3.201,1175 4.256,1176 3.196,1177 3.244,1178 3.318,1179 3.102,1180 3.079,1181 4.01,1182 3.075,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.836,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.022,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.065,1210 2.064,1211 1.374,1212 2.067,1213 1.919,1214 1.889,1215 2.04,1216 2.044,1217 1.273,1218 2.043,1219 1.797,1220 1.729,1221 1.98,1222 1.974,1223 1.179,1224 1.981,1225 1.649,1226 1.59,1227 1.857,1228 1.826,1229 1.093,1230 1.84,1231 1.419,1232 1.347,1233 1.643,1234 1.672,1235 0.851,1236 1.655,1237 1.375,1238 1.309,1239 1.56,1240 1.585,1241 0.825,1242 1.591,1243 1.256,1244 1.185,1245 1.513,1246 1.456,1247 0.709,1248 1.479,1249 1.153,1250 1.064,1251 1.473,1252 1.442,1253 0.579,1254 1.429,1255 4.29,1257 5.595,1258 3.045,1259 7.081,1260 5.283,1261 8.65,1262 7.286,1263 10.263,1267 13.346,1271 9.629,1276 5.059,1280 37.833,1281 89.287,1282 208.336,1283 273.104,1284 313.775,1285 317.775,1286 325.775,1287 43.829,1288 8.209,1289 52.98,1290 52.98,1291 28,1292 12.574,1293 4.459,1294 3.524,1295 46.212,1296 176,1297 152,1298 0.125,1299 229.229,1300 383.97,1301 551.08,1302 53243,1303 1.6,1304 21.753,1305 0.68,1306 0.57,1307 20.882,1308 18.251,1309 15.742,1310 0.437,1311 0.316,1312 11.225,1313 15.106,1314 11.03,1315 9.076,1316 15.348,1317 11.387,1318 13.912,1319 0.284,1320 0.175,1321 13.278,1322 8.58,1323 11.851,1324 0.185,1325 0.101,1326 11.53,1327 6.459,1328 9.866,1329 0.12,1330 0.056,1331 9.52,1332 4.577,1333 7.51,1334 0.077,1335 0.033,1336 7.34,1337 3.18,1338 0.207,1339 98.574,1340 0.199,1341 30.987,1342 0.316,1343 170,1344 470.67,1345 185.016,1346 437.122,1347 602.08,1348 412,1349 198,1350 448.809,1351 213.927,1352 450.389,1353 652.15,1354 424,1355 9.222} {0 CHEMBL293614,1 1.491,2 15.545,3 4.916,4 24.169,5 128.995,6 7.252,7 0.568,8 4.224,9 4.357,10 3.776,11 3.765,12 5.267,13 3.738,14 4.803,15 4.99,16 4.149,17 4.196,18 5.812,19 4.146,20 5.11,21 5.345,22 4.125,23 4.345,24 6.083,25 4.241,26 5.189,27 5.454,28 3.989,29 4.337,30 6.066,31 4.186,32 5.155,33 5.455,34 3.936,35 4.245,36 5.905,37 4.086,38 5.026,39 5.296,40 3.955,41 4.162,42 5.944,43 4.05,44 4.98,45 5.235,46 3.904,47 4.139,48 5.898,49 4.016,50 4.986,51 5.274,52 3.779,53 4.054,54 5.952,55 3.907,56 0.036,57 1.085,58 13.146,59 5.817,60 11.435,61 7.763,62 0.187,63 1.819,64 25.62,65 10.039,66 24.164,67 13.589,68 0.4,69 2.281,70 38.078,71 14.283,72 65.502,73 18.908,74 0.487,75 2.225,76 42.354,77 15.584,78 69.946,79 21.611,80 0.326,81 1.959,82 41.554,83 14.814,84 49.186,85 21.883,86 0.424,87 1.949,88 36.352,89 12.48,90 60.625,91 17.334,92 0.365,93 1.87,94 33.914,95 12.155,96 57.63,97 16.782,98 0.583,99 1.847,100 35.508,101 11.594,102 86.768,103 16.854,104 5,105 52,106 0.238,107 0.568,108 0.73,109 0.814,110 0.838,111 0.838,112 3.531,113 0.948,114 -6.59,115 -6.41,116 -5.94,119 41.9,121 6,125 3,129 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 3,178 15,182 3,186 3,189 13,193 7,197 1,199 9,203 7,206 1,211 8,215 5,218 1,222 8,226 5,229 2,233 4,236 1,237 5,242 2,244 5,256 7,259 1992,260 22.585,261 22.585,262 22.585,263 22.585,264 22.585,265 20.121,266 25.767,267 13.256,268 23.047,269 18.254,270 18.254,271 18.254,272 18.254,273 18.254,274 14.61,275 25.121,276 6.31,277 19.066,278 4.463,279 2.398,280 1.386,281 0.863,282 0.71,283 0.71,284 4.24,288 1,289 1,290 1143,291 3.464,294 180.178,295 343.149,298 153.992,302 2.496,303 31.529,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 71.5,315 513,316 4.568,317 3.694,318 6.973,319 4.226,320 3.282,321 4.518,322 0.8,323 11.782,324 3.079,325 4.286,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,332 10.431,333 3.062,334 4.129,335 2.942,336 6.095,337 3.689,338 2.753,339 3.618,341 8.884,342 2.577,343 4,344 2.886,345 5.41,346 3.587,347 2.607,348 3.276,350 7.146,351 2.555,352 3.461,353 2.761,354 5.308,355 3.327,356 2.407,357 2.812,359 6.867,360 2.213,361 3.415,362 2.551,363 5.126,364 3.034,365 2.084,366 2.695,368 6,369 1.984,370 3.366,371 2.184,372 4.887,373 3.006,374 2.029,375 2.593,377 5.684,378 1.949,379 3.246,380 1.795,381 4.514,382 2.73,383 1.776,384 2.396,386 4.655,387 1.69,388 2.743,389 1.377,390 4.134,391 2.323,392 1.337,393 1.849,395 3.484,396 1.317,397 2.5,398 1.18,399 3.802,400 2.108,401 1.141,402 1.5,404 2.586,405 1.1,406 2.431,407 1.077,408 3.693,409 2,410 1,411 1.408,413 2.372,414 1,415 2.271,416 1,417 3.446,418 1.984,419 1,420 1.216,422 2.275,423 0.983,424 2.118,425 0.992,426 3.414,427 1.872,428 0.906,429 1,431 2.118,432 0.872,433 2.012,434 0.941,435 3.312,436 1.765,437 0.784,438 0.927,440 1.867,441 0.765,442 2,443 0.7,444 3.171,445 1.558,446 0.618,447 0.885,449 1.452,450 0.573,451 15.571,452 0.472,453 0.766,454 0.023,455 39.5,456 1.197,457 18,458 0.545,459 21.5,460 0.652,461 31.595,462 0.957,463 36.029,464 0.581,465 27.879,466 0.845,467 7.496,468 0.227,469 8.582,470 0.26,471 0.037,472 0.032,473 0.244,474 1,477 1,479 0.587,480 1.13,481 0.768,482 1.102,483 0.501,484 0.998,485 0.79,486 1.048,487 0.903,488 1.043,489 0.632,490 1,491 1.203,492 1.095,493 1.135,494 1.09,495 1.219,496 1.101,497 0.919,498 0.966,499 1.096,500 1.109,501 0.981,502 1.139,503 0.45,504 0.781,505 0.743,506 0.911,507 0.381,508 0.891,509 1.059,510 0.964,511 0.976,512 0.926,513 1.032,514 0.933,515 0.985,516 1.063,517 1.076,518 1.123,519 1.034,520 1.124,521 0.755,522 0.82,523 0.989,524 0.952,525 0.652,526 0.995,527 7,528 0.16,529 4,530 1.194,531 1.539,532 0.986,533 0.466,534 0.395,535 0.282,536 0.218,537 19529,538 50943,539 2.161,540 46.8,541 4,542 13,543 1,544 2,545 1,547 4,548 4,550 1.745,551 2.073,552 3.887,553 -0.382,559 92.458,560 1.491,561 3.556,562 4.568,563 5.091,564 5.245,565 5.245,566 3.392,567 4.56,568 5.016,569 4.094,570 2161.39,571 8.74,572 34952.7,574 1,577 369.16,578 1.284,579 4.993,580 0.189,581 0.006,582 0.077,583 0.025,584 0.038,585 0.025,586 0.012,587 0.011,588 0.009,589 0.008,590 0.4,591 0.33,592 0.75,593 0.398,594 180.54,595 0.023,596 -0.087,597 0.063,598 -0.032,599 0.004,600 0.009,601 -0.017,602 -0.033,603 -0.006,604 -0.025,605 0.032,606 -0.015,607 -0.138,608 -0.022,609 -0.161,610 -0.064,611 -0.088,612 -0.104,613 -0.038,614 -0.029,615 -0.127,616 -0.1,617 -0.062,618 -0.127,619 0.094,620 -0.064,621 0.209,622 0.06,623 0.09,624 0.135,625 -0.066,626 0.001,627 0.02,628 0.052,629 -0.041,630 0.054,631 -0.046,632 -0.093,633 -0.103,634 -0.131,635 -0.091,636 -0.132,637 0.104,638 0.046,639 0.002,640 -0.006,641 0.14,642 -0.015,643 2.361,644 7.269,645 0.788,646 41.35,647 1,648 1.138,649 5.356,650 28.692,651 0.658,652 3.638,653 3.97,654 4.22,655 4.443,656 4.654,657 4.71,658 4.796,659 4.949,660 5.011,661 5.05,662 8.986,663 0.625,664 449.6,665 3.638,666 5.187,667 6.033,668 6.907,669 7.768,670 8.643,671 9.511,672 10.388,673 11.26,674 12.138,675 8.1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 62,716 21,717 2,718 37,720 66,721 26,722 16,723 5,724 7,730 5,731 6,740 2,741 1,743 6,745 16,746 10,747 1,748 1,762 2,764 29,765 5,766 1,767 7,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 2,827 33,833 9,838 1,839 1,844 1,846 2,854 15.917,855 10.919,856 7.125,857 3.957,858 3.565,859 1.432,860 1.016,861 6.459,862 11.818,863 3.882,864 4.477,865 5.045,866 5.61,867 6.064,868 6.381,869 6.79,870 7.221,871 7.416,872 7.623,873 1,874 48,875 12.311,877 5.371,878 7.72,879 23.87,881 20.375,883 2.22,884 73.25,887 1,888 329.591,889 137.109,890 55.135,893 29.92,895 137.109,896 329.591,897 85.055,899 21.524,900 75.381,901 74.105,902 42.631,903 43.835,904 294.278,906 329.591,907 192.244,908 29.92,911 265.342,912 94.169,915 60.57,916 98.347,917 33.326,919 359.511,920 55.135,921 137.109,924 329.591,925 44.49,926 97.642,927 16.786,928 63.246,929 329.591,930 85.055,931 137.109,933 0.586,934 0.335,935 0.17,936 0.093,937 26,938 10,939 0.121,940 8,941 1,942 1.077,943 4.679,944 296.035,945 0.077,946 26,947 154.465,951 22.096,952 9.646,953 5.276,954 2.353,955 66.371,956 18.233,957 7.779,958 3.366,961 3.105,962 1.906,963 16.786,964 551.755,965 47.5,975 62.021,976 70.569,977 0.25,978 0.597,979 0.767,980 0.855,981 0.881,982 0.881,983 5.125,984 1.776,985 6.028,986 5.684,987 4.654,988 5.165,989 0.673,990 6.838,991 4.57,992 6.326,993 1.337,994 7.589,995 4.655,996 4.29,997 4.934,998 0.325,999 7.949,1000 4.117,1001 7.635,1002 1.141,1003 9.257,1004 3.484,1005 6.293,1006 7.356,1007 0.379,1008 10.93,1009 6.125,1010 8.981,1011 1,1012 10.992,1013 2.586,1014 6.781,1015 8.001,1016 0.268,1017 12.891,1018 6.525,1019 10.36,1020 1,1021 12.773,1022 2.372,1023 8.24,1024 9.867,1025 0.239,1026 15.451,1027 7.98,1028 11.761,1029 0.906,1030 14.585,1031 2.275,1032 9.096,1033 10.929,1034 0.188,1035 17.717,1036 8.761,1037 13.179,1038 0.784,1039 16.42,1040 2.118,1041 10.357,1042 12.571,1043 0.156,1044 20.174,1045 10.004,1046 3.282,1047 0.618,1048 18.273,1049 1.867,1050 11.38,1051 13.848,1052 0.125,1053 22.549,1054 10.962,1055 3.118,1056 11.782,1057 20.139,1058 1.452,1059 12.57,1060 15.396,1061 0.102,1062 24.986,1063 12.121,1064 2.753,1065 10.431,1066 22.016,1067 4.518,1068 13.668,1069 16.783,1070 0.082,1071 27.402,1072 13.162,1073 2.607,1074 8.884,1075 23.902,1076 3.731,1077 14.835,1078 18.296,1079 0.066,1080 29.84,1081 14.29,1082 2.407,1083 7.146,1084 25.795,1085 3.618,1086 15.969,1087 19.739,1088 0.054,1089 32.274,1090 15.37,1091 2.084,1092 6.867,1093 27.693,1094 3.276,1095 17.131,1096 21.24,1097 0.043,1098 34.717,1099 16.488,1100 2.029,1101 6,1102 29.597,1103 2.812,1104 18.282,1105 22.713,1106 0.035,1107 37.16,1108 17.587,1109 17894,1110 29057,1111 25.424,1112 40.802,1113 55.756,1114 55.564,1115 55.757,1116 55.367,1117 55.216,1118 70.778,1119 1.6,1120 158.741,1121 52.864,1122 5.568,1123 5.694,1124 6.569,1125 5.285,1126 5.282,1127 7.518,1128 1.2,1129 18.446,1130 5.079,1131 11.326,1132 1.507,1133 1.502,1134 1.507,1135 1.496,1136 1.492,1137 1.913,1138 0.043,1139 4.29,1140 1.429,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 8.202,1146 4.07,1147 3.966,1148 4.009,1149 3.892,1150 3.881,1151 8.188,1152 3.877,1153 3.856,1154 3.913,1155 3.791,1156 3.72,1157 5.135,1158 3.722,1159 3.823,1160 3.89,1161 3.761,1162 3.588,1163 4.927,1164 3.625,1165 3.565,1166 3.631,1167 3.431,1168 3.41,1169 4.637,1170 3.409,1171 3.362,1172 3.429,1173 3.246,1174 3.209,1175 4.304,1176 3.207,1177 3.247,1178 3.32,1179 3.113,1180 3.082,1181 4.246,1182 3.079,1183 3.111,1184 3.206,1185 2.911,1186 2.941,1187 3.932,1188 2.91,1189 0.123,1190 0.1,1191 0.188,1192 0.114,1193 0.089,1194 4.568,1195 0.122,1196 3.694,1197 0.022,1198 6.973,1199 0.318,1200 4.226,1201 0.083,1202 3.282,1203 4.518,1204 0.8,1205 11.782,1206 3.079,1207 1.962,1208 1.937,1209 2.092,1210 2.072,1211 1.451,1212 2.081,1213 1.936,1214 1.904,1215 2.042,1216 2.048,1217 1.292,1218 2.046,1219 1.832,1220 1.782,1221 1.99,1222 1.975,1223 1.179,1224 1.983,1225 1.669,1226 1.615,1227 1.872,1228 1.832,1229 1.104,1230 1.848,1231 1.431,1232 1.361,1233 1.646,1234 1.675,1235 0.866,1236 1.66,1237 1.38,1238 1.315,1239 1.559,1240 1.592,1241 0.825,1242 1.593,1243 1.256,1244 1.186,1245 1.513,1246 1.456,1247 0.712,1248 1.478,1249 1.153,1250 1.064,1251 1.474,1252 1.442,1253 0.579,1254 1.429,1255 4.317,1257 5.645,1258 3.045,1259 7.155,1260 5.283,1261 8.746,1262 7.286,1263 10.379,1267 28.327,1271 6.91,1276 2.382,1277 -1.111,1280 38.722,1281 92.458,1282 220.476,1283 283.244,1284 315.65,1285 325.16,1286 325.16,1287 62.327,1288 8.252,1289 49.74,1290 49.74,1291 28,1292 12.677,1293 4.459,1294 3.524,1295 48.316,1296 182,1297 179,1298 0.127,1299 233.226,1300 396.34,1301 560.831,1302 55305,1303 3.2,1304 22.675,1305 0.687,1306 0.566,1307 20.882,1308 18.682,1309 16.078,1310 0.435,1311 0.316,1312 11.532,1313 15.444,1314 11.335,1315 9.292,1316 15.348,1317 11.688,1318 14.729,1319 0.283,1320 0.176,1321 13.278,1322 9.136,1323 12.46,1324 0.186,1325 0.103,1326 11.53,1327 6.915,1328 9.848,1329 0.117,1330 0.057,1331 9.52,1332 4.808,1333 7.969,1334 0.077,1335 0.034,1336 7.34,1337 3.508,1338 0.209,1339 100.727,1340 0.198,1341 31.676,1342 0.322,1343 178,1344 545.136,1345 195.929,1346 482.531,1347 651.96,1348 452,1349 208,1350 478.03,1351 225.448,1352 473.213,1353 686.28,1354 446,1355 9} {0 CHEMBL293678,1 1.421,2 14.875,3 4.711,4 22.191,5 128.778,6 6.961,7 0.583,8 4.217,9 4.353,10 3.741,11 3.767,12 5.214,13 3.729,14 4.794,15 4.986,16 4.101,17 4.198,18 5.732,19 4.134,20 5.098,21 5.338,22 4.071,23 4.347,24 5.985,25 4.227,26 5.181,27 5.449,28 3.956,29 4.339,30 6.006,31 4.177,32 5.152,33 5.454,34 3.907,35 4.246,36 5.879,37 4.079,38 5.016,39 5.291,40 3.921,41 4.164,42 5.881,43 4.04,44 4.97,45 5.229,46 3.868,47 4.14,48 5.845,49 4.006,50 4.974,51 5.268,52 3.649,53 4.056,54 5.736,55 3.887,56 0.067,57 1.012,58 13.805,59 5.785,60 11.636,61 8.037,62 0.218,63 1.709,64 26.22,65 9.987,66 18.349,67 14.019,68 0.353,69 2.16,70 37.679,71 14.212,72 45.143,73 19.506,74 0.434,75 2.179,76 41.662,77 15.547,78 53.537,79 21.975,80 0.313,81 1.957,82 40.769,83 14.823,84 40.166,85 21.879,86 0.366,87 1.891,88 35.62,89 12.443,90 45.983,91 17.699,92 0.327,93 1.81,94 33.427,95 12.113,96 43.499,97 17.17,98 0.38,99 1.666,100 34.396,101 11.553,102 41.763,103 17.076,104 2,105 50,106 0.227,107 0.545,108 0.712,109 0.807,110 0.838,111 0.838,112 3.502,113 0.966,114 -6.22,115 -6.06,116 -5.63,119 41.9,121 6,125 3,129 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 5,176 3,178 17,182 3,186 3,189 14,193 7,197 1,199 10,203 7,206 1,211 9,215 5,218 1,222 8,226 5,229 2,233 6,236 1,237 5,242 2,244 5,249 1,256 7,259 1804,260 22.137,261 22.137,262 22.137,263 22.137,264 22.137,265 19.698,266 24.14,267 13.17,268 22.537,269 17.787,270 17.787,271 17.787,272 17.787,273 17.787,274 14.205,275 24.459,276 6.275,277 18.474,278 4.533,279 2.546,280 1.5,281 0.907,282 0.71,283 0.71,284 4.213,288 1,289 1,290 1065,291 3.391,294 172.209,295 329.589,298 146.825,302 2.328,303 22.268,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 68,315 476,316 4.568,317 3.694,318 6.973,319 4.226,320 3.282,321 4.518,322 0.8,323 11.782,324 3.079,325 4.286,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,332 10.431,333 3.062,334 4.129,335 2.886,336 6.095,337 3.689,338 2.753,339 3.458,341 8.884,342 2.577,343 3.881,344 2.766,345 5.343,346 3.501,347 2.506,348 3.26,350 6.968,351 2.496,352 3.457,353 2.69,354 5.301,355 3.322,356 2.399,357 2.812,359 6.851,360 2.209,361 3.376,362 2.184,363 5.126,364 3.009,365 2.03,366 2.593,368 6,369 1.98,370 3.246,371 1.795,372 4.514,373 2.73,374 1.776,375 2.4,377 4.655,378 1.691,379 2.919,380 1.595,381 4.134,382 2.508,383 1.509,384 2.086,386 3.485,387 1.507,388 2.743,389 1.377,390 3.802,391 2.322,392 1.335,393 1.848,395 3.174,396 1.316,397 2.5,398 1.179,399 3.77,400 2.105,401 1.139,402 1.5,404 2.576,405 1.098,406 2.431,407 1.077,408 3.528,409 2,410 1,411 1.407,413 2.372,414 1,415 2.27,416 1,417 3.421,418 1.984,419 1,420 1.214,422 2.136,423 0.983,424 2.118,425 0.945,426 3.31,427 1.868,428 0.903,429 1,431 2.111,432 0.869,433 2.006,434 0.75,435 3.247,436 1.692,437 0.704,438 0.927,440 1.686,441 0.694,442 2,443 0.696,444 3.169,445 1.55,446 0.618,447 0.857,449 1.421,450 0.564,451 15.286,452 0.478,453 0.66,454 0.021,455 38.75,456 1.211,457 18,458 0.563,459 20.75,460 0.648,461 30.234,462 0.945,463 34.514,464 0.557,465 26.3,466 0.822,467 7.293,468 0.228,469 8.392,470 0.262,471 0.019,472 0.033,473 0.216,474 1,479 0.65,480 1.202,481 0.822,482 1.103,483 0.537,484 1.006,485 0.928,486 1.092,487 0.965,488 1.043,489 0.767,490 1.011,491 1.379,492 1.141,493 1.146,494 1.092,495 1.532,496 1.096,497 1.075,498 1.049,499 1.105,500 1.114,501 1.264,502 1.123,503 0.586,504 0.873,505 0.785,506 0.915,507 0.525,508 0.885,509 1.227,510 1.03,511 0.97,512 0.93,513 1.27,514 0.921,515 1.102,516 1.141,517 1.072,518 1.128,519 1.22,520 1.108,521 1.048,522 0.876,523 1.083,524 0.952,525 0.989,526 1.006,527 6,528 0.131,529 3.556,530 1.132,531 1.348,532 0.931,533 0.466,534 0.301,535 0.233,536 0.208,537 17956,538 40970,539 2.185,540 48.4,541 4,542 14,543 1,544 2,545 1,547 4,548 4,550 1.737,551 2.122,552 3.833,553 -0.403,559 88.132,560 1.421,561 3.408,562 4.454,563 5.047,564 5.245,565 5.245,566 3.281,567 4.375,568 4.972,569 4.038,570 2002.88,571 8.654,572 31482.3,574 1,577 369.16,578 1.135,579 4.958,580 0.167,581 0.005,582 0.071,583 0.025,584 0.035,585 0.024,586 0.012,587 0.008,588 0.008,589 0.008,590 0.363,591 0.33,592 0.75,593 0.313,594 173.032,595 0.058,596 -0.095,597 0.073,598 -0.032,599 0.02,600 0.01,601 -0.008,602 -0.008,603 -0.021,604 -0.023,605 0.011,606 -0.024,607 -0.15,608 -0.016,609 -0.153,610 -0.064,611 -0.125,612 -0.1,613 -0.027,614 -0.037,615 -0.117,616 -0.102,617 -0.071,618 -0.12,619 0.099,620 -0.054,621 0.184,622 0.062,623 0.108,624 0.12,625 -0.048,626 0.004,627 0.042,628 0.052,629 -0.016,630 0.058,631 -0.015,632 -0.113,633 -0.081,634 -0.133,635 -0.061,636 -0.123,637 -0.091,638 0.041,639 -0.088,640 -0.003,641 -0.1,642 -0.036,643 2.262,644 7.264,645 0.813,646 38.633,647 0.992,648 1.133,649 4.988,650 24.883,651 0.659,652 3.611,653 3.932,654 4.19,655 4.419,656 4.615,657 4.673,658 4.779,659 4.905,660 4.984,661 5.024,662 8.687,663 0.618,664 431.61,665 3.611,666 5.153,667 5.999,668 6.87,669 7.731,670 8.605,671 9.473,672 10.35,673 11.222,674 12.101,675 8.1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 62,716 21,717 2,718 36,720 66,721 26,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 6,745 16,746 10,747 1,748 1,762 1,764 30,765 4,766 1,767 6,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 1,827 32,833 9,838 1,839 1,844 1,846 1,854 15.083,855 10.86,856 6.958,857 3.977,858 3.531,859 1.432,860 1.016,861 6.269,862 11.699,863 3.861,864 4.443,865 5.016,866 5.585,867 6.024,868 6.343,869 6.783,870 7.206,871 7.407,872 7.616,873 0.9,874 46,875 11.92,877 5.141,878 7.549,879 23.449,881 20.006,883 2.049,884 65.583,887 1,888 341.362,889 137.464,890 55.135,893 14.96,895 137.464,896 341.362,897 70.095,899 21.524,900 84.857,901 74.105,902 33.51,903 28.875,904 306.049,906 341.362,907 192.599,908 14.96,911 262.153,912 94.169,915 60.57,916 98.702,917 33.326,919 356.322,920 55.135,921 137.464,924 341.362,925 35.369,926 107.118,927 16.786,928 48.286,929 341.362,930 70.095,931 137.464,933 0.58,934 0.334,935 0.174,936 0.092,937 25,938 9,939 0.121,940 8,941 1,942 1.077,943 4.617,944 284.413,945 0.077,946 26,947 148,951 21.21,952 9.459,953 5.07,954 2.397,955 51.41,956 22.191,957 7.8,958 3.384,961 3.627,962 1.922,963 16.786,964 548.921,965 46.5,975 61.509,976 70.229,977 0.239,978 0.572,979 0.748,980 0.848,981 0.881,982 0.881,983 5.095,984 1.509,985 5.984,986 4.655,987 4.615,988 5.13,989 0.673,990 6.792,991 4.541,992 6.286,993 1.335,994 7.541,995 3.485,996 4.205,997 4.832,998 0.325,999 7.91,1000 4.046,1001 7.588,1002 1.139,1003 9.208,1004 3.174,1005 6.248,1006 7.309,1007 0.379,1008 10.9,1009 6.091,1010 8.929,1011 1,1012 10.946,1013 2.576,1014 6.723,1015 7.925,1016 0.268,1017 12.876,1018 6.479,1019 10.306,1020 1,1021 12.732,1022 2.372,1023 8.2,1024 9.818,1025 0.239,1026 15.439,1027 7.951,1028 11.707,1029 0.903,1030 14.55,1031 2.136,1032 9.056,1033 10.872,1034 0.188,1035 17.711,1036 8.73,1037 13.126,1038 0.704,1039 16.392,1040 2.111,1041 10.326,1042 12.528,1043 0.156,1044 20.169,1045 9.98,1046 3.282,1047 0.618,1048 18.25,1049 1.686,1050 11.352,1051 13.804,1052 0.125,1053 22.546,1054 10.94,1055 3.118,1056 11.782,1057 20.121,1058 1.421,1059 12.547,1060 15.362,1061 0.102,1062 24.984,1063 12.103,1064 2.753,1065 10.431,1066 22.002,1067 4.518,1068 13.648,1069 16.751,1070 0.082,1071 27.401,1072 13.146,1073 2.506,1074 8.884,1075 23.89,1076 3.731,1077 14.818,1078 18.269,1079 0.066,1080 29.839,1081 14.276,1082 2.399,1083 6.968,1084 25.786,1085 3.458,1086 15.954,1087 19.716,1088 0.054,1089 32.274,1090 15.358,1091 2.03,1092 6.851,1093 27.686,1094 3.26,1095 17.119,1096 21.221,1097 0.043,1098 34.717,1099 16.477,1100 1.776,1101 6,1102 29.591,1103 2.812,1104 18.272,1105 22.695,1106 0.035,1107 37.16,1108 17.577,1109 16374,1110 24907,1111 25.019,1112 40.864,1113 54.132,1114 53.568,1115 53.709,1116 53.673,1117 53.603,1118 68.984,1119 1.6,1120 152.481,1121 51.631,1122 5.568,1123 5.694,1124 6.775,1125 5.285,1126 5.282,1127 7.518,1128 1.2,1129 18.446,1130 5.079,1131 7.47,1132 1.504,1133 1.488,1134 1.492,1135 1.491,1136 1.489,1137 1.916,1138 0.044,1139 4.236,1140 1.434,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 8.188,1146 4.07,1147 3.962,1148 4.007,1149 3.875,1150 3.881,1151 5.135,1152 3.874,1153 3.851,1154 3.911,1155 3.79,1156 3.721,1157 4.927,1158 3.721,1159 3.822,1160 3.886,1161 3.748,1162 3.588,1163 4.751,1164 3.625,1165 3.563,1166 3.63,1167 3.428,1168 3.41,1169 4.306,1170 3.408,1171 3.357,1172 3.425,1173 3.237,1174 3.209,1175 4.246,1176 3.204,1177 3.243,1178 3.318,1179 3.09,1180 3.082,1181 3.95,1182 3.076,1183 3.111,1184 3.206,1185 2.879,1186 2.941,1187 3.843,1188 2.91,1189 0.127,1190 0.103,1191 0.194,1192 0.117,1193 0.091,1194 4.568,1195 0.125,1196 3.694,1197 0.022,1198 6.973,1199 0.327,1200 4.226,1201 0.086,1202 3.282,1203 4.518,1204 0.8,1205 11.782,1206 3.079,1207 1.962,1208 1.937,1209 2.097,1210 2.072,1211 1.451,1212 2.082,1213 1.94,1214 1.907,1215 2.045,1216 2.048,1217 1.292,1218 2.047,1219 1.835,1220 1.783,1221 2.003,1222 1.974,1223 1.182,1224 1.989,1225 1.669,1226 1.616,1227 1.875,1228 1.832,1229 1.106,1230 1.849,1231 1.432,1232 1.363,1233 1.659,1234 1.675,1235 0.879,1236 1.661,1237 1.382,1238 1.316,1239 1.563,1240 1.592,1241 0.825,1242 1.596,1243 1.259,1244 1.189,1245 1.513,1246 1.456,1247 0.715,1248 1.481,1249 1.153,1250 1.064,1251 1.475,1252 1.442,1253 0.58,1254 1.429,1255 4.29,1257 5.609,1258 3.045,1259 7.116,1260 5.283,1261 8.704,1262 7.286,1263 10.336,1267 15.264,1271 7.582,1276 2.428,1277 -1.012,1280 38.339,1281 88.132,1282 211.293,1283 276.141,1284 312.896,1285 325.16,1286 325.16,1287 52.773,1288 8.168,1289 49.74,1290 49.74,1291 28,1292 12.639,1293 4.459,1294 3.524,1295 46.153,1296 171,1297 158,1298 0.129,1299 232.027,1300 390.27,1301 557.907,1302 49528,1303 1.6,1304 21.805,1305 0.681,1306 0.574,1307 20.882,1308 18.382,1309 15.684,1310 0.436,1311 0.322,1312 11.458,1313 15.169,1314 11.241,1315 9.244,1316 15.348,1317 11.588,1318 14.107,1319 0.282,1320 0.18,1321 13.278,1322 8.995,1323 12.049,1324 0.185,1325 0.105,1326 11.53,1327 6.845,1328 9.706,1329 0.118,1330 0.059,1331 9.52,1332 4.801,1333 7.685,1334 0.077,1335 0.035,1336 7.34,1337 3.476,1338 0.213,1339 97.498,1340 0.2,1341 30.846,1342 0.329,1343 172,1344 451.024,1345 186.098,1346 420.439,1347 580.61,1348 396,1349 201,1350 434.697,1351 215.537,1352 436.703,1353 633.02,1354 412,1355 8.699} {0 CHEMBL29410,1 1.731,2 12.303,3 5.976,4 35.713,5 137.808,6 8.297,7 0.432,8 4.218,9 4.317,10 4.032,11 3.84,12 5.174,13 3.768,14 4.819,15 4.982,16 4.433,17 4.284,18 5.935,19 4.188,20 5.086,21 5.277,22 4.554,23 4.473,24 6.044,25 4.344,26 5.186,27 5.387,28 4.442,29 4.495,30 6.156,31 4.339,32 5.224,33 5.456,34 4.443,35 4.408,36 6.243,37 4.262,38 5.101,39 5.322,40 4.339,41 4.307,42 6.118,43 4.17,44 5.012,45 5.228,46 4.316,47 4.25,48 6.106,49 4.117,50 4.993,51 5.207,52 4.172,53 4.215,54 5.984,55 4.077,56 0.084,57 0.911,58 14.8,59 6.414,60 14.813,61 7.586,62 0.439,63 1.566,64 31.458,65 11.655,66 57.71,67 13.546,68 0.484,69 1.988,70 43.521,71 15.49,72 37.691,73 18.554,74 0.351,75 2.135,76 53.225,77 19.08,78 44.446,79 22.099,80 0.704,81 2.06,82 55.442,83 17.651,84 87.544,85 20.955,86 0.71,87 1.833,88 50.996,89 15.7,90 70.059,91 18.548,92 0.793,93 1.711,94 44.541,95 14.62,96 90.703,97 17.552,98 0.536,99 1.662,100 44.479,101 14.585,102 68.599,103 16.796,104 27,105 55,106 0.278,107 0.584,108 0.777,109 0.885,110 0.885,111 0.885,112 3.532,113 1.128,114 -4.32,115 -4.26,116 -4.02,119 39.3,120 1,121 3,124 1,125 4,127 1,140 6,141 2,142 4,150 1,151 1,169 7,171 1,172 4,174 2,176 2,178 11,181 2,182 9,186 3,189 10,193 10,195 1,197 2,199 3,203 8,206 1,208 2,211 8,214 3,215 4,220 1,222 8,225 2,226 6,229 1,231 2,233 9,237 5,242 1,244 6,248 2,249 6,254 1,256 4,259 1842,260 22.151,261 22.151,262 22.151,263 22.151,264 22.151,265 19.954,266 26.608,267 12.639,268 22.986,269 18.202,270 18.202,271 18.202,272 18.202,273 18.202,274 14.707,275 33.781,276 5.928,277 19.595,278 4.199,279 2.295,280 1.091,281 0.418,282 0.418,283 0.418,284 4.237,285 1,289 1,290 899,291 3.674,294 73.012,295 373.744,298 142.298,299 145.917,302 1.767,303 35.987,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 70.833,315 406,316 4.94,317 4.713,318 7.441,319 4.396,320 3.491,321 4.864,322 0.86,323 13.079,324 3.151,325 4.452,326 3.347,327 6.545,328 4.037,329 3.092,330 4.318,331 0.8,332 10.367,333 2.924,334 4.337,335 3.13,336 6.491,337 3.906,338 2.95,339 3.945,340 0.8,341 10.06,342 2.805,343 3.88,344 3.062,345 6.136,346 3.747,347 2.802,348 3.075,350 9.033,351 2.647,352 3.646,353 2.738,354 5.432,355 3.216,356 2.287,357 2.936,359 6.87,360 2.125,361 3.51,362 2.484,363 5.203,364 3.082,365 2.166,366 2.791,368 6.157,369 1.951,370 3.286,371 2.42,372 5.1,373 2.933,374 2.015,375 2.621,377 5.952,378 1.842,379 3.196,380 1.993,381 4.954,382 2.767,383 1.842,384 2.311,386 5.573,387 1.621,388 2.866,389 1.761,390 4.633,391 2.581,392 1.618,393 2.011,395 4.382,396 1.553,397 2.618,398 1.52,399 4.427,400 2.424,401 1.437,402 1.618,404 4.302,405 1.416,406 2.562,407 1.464,408 4.016,409 2.28,410 1.363,411 1.573,413 3.256,414 1.229,415 2.334,416 1.273,417 3.606,418 2.092,419 1.118,420 1.32,422 2.84,423 1.087,424 2.187,425 1.084,426 3.589,427 1.67,428 0.762,429 1.058,431 1.903,432 0.671,433 1.82,434 0.954,435 3.24,436 1.643,437 0.692,438 0.753,440 1.556,441 0.65,442 1.651,443 0.776,444 3.168,445 1.498,446 0.602,447 0.63,449 1.141,450 0.536,451 16.581,452 0.502,453 0.991,454 0.03,455 40,456 1.212,457 18.5,458 0.561,459 21.5,460 0.652,461 35.359,462 1.071,463 36.219,464 0.594,465 30.458,466 0.923,467 7.096,468 0.215,469 8.756,470 0.265,471 0.144,472 0.05,473 0.32,479 0.606,480 1.347,481 0.71,482 1.088,483 0.624,484 0.942,485 0.859,486 0.997,487 0.699,488 0.751,489 0.497,490 0.808,491 0.895,492 0.996,493 0.896,494 0.945,495 0.772,496 0.946,497 0.866,498 1.242,499 1.106,500 1.266,501 0.759,502 1.139,503 1.262,504 0.915,505 0.784,506 0.805,507 1.369,508 0.871,509 1.184,510 0.95,511 0.889,512 0.896,513 1.299,514 0.934,515 0.761,516 0.949,517 0.851,518 0.981,519 0.79,520 0.931,521 1.317,522 0.987,523 0.994,524 1.01,525 1.435,526 0.955,527 8,528 0.218,529 4.667,530 3.007,531 2.712,532 1.212,533 1.11,534 0.58,535 0.399,536 0.398,537 15640,538 40751,539 2.105,540 45.9,541 5,542 18,545 1,547 4,550 1.754,551 1.951,552 3.578,553 -0.322,559 105.62,560 1.731,561 3.635,562 4.84,563 5.513,564 5.513,565 5.513,566 3.037,567 4.681,568 5.018,569 3.724,570 1966.15,571 8.796,572 28711.1,577 361.775,578 1.6,579 4.962,580 0.216,581 0.007,582 0.085,583 0.052,584 0.05,585 0.025,586 0.024,587 0.013,588 0.01,589 0.011,590 0.492,591 0.17,592 0.75,593 0.718,594 173.882,595 0.076,596 -0.168,597 0.14,598 -0.053,599 -0.107,600 0.022,601 0.092,602 0.123,603 0.136,604 0.19,605 0.271,606 0.122,607 -0.011,608 0.083,609 0.049,610 0.045,611 0.008,612 0.018,613 -0.019,614 -0.206,615 -0.105,616 -0.196,617 0.083,618 -0.139,619 -0.095,620 0.052,621 0.101,622 0.121,623 -0.05,624 0.081,625 -0.015,626 0.033,627 0.032,628 0.036,629 -0.077,630 0.016,631 0.293,632 0.044,633 0.086,634 -0.005,635 0.228,636 0.039,637 -0.149,638 -0.002,639 -0.051,640 -0.009,641 -0.135,642 0.013,643 4.664,644 6.322,645 0.758,646 31.691,647 1.004,648 1.12,649 3.091,650 9.554,651 0.696,652 3.638,653 4.025,654 4.331,655 4.635,656 4.89,657 4.977,658 5.136,659 5.273,660 5.303,661 5.338,662 7.131,663 0.644,664 506.14,665 3.638,666 5.22,667 6.098,668 7.011,669 7.906,670 8.821,671 9.723,672 10.639,673 11.544,674 12.461,675 4.9,678 1,680 1,681 1,687 2,688 6,692 1,693 6,695 16,709 1,712 1,713 1,714 61,716 18,717 2,718 37,720 65,721 24,722 14,723 6,724 6,730 5,731 7,732 1,736 1,740 4,743 4,745 14,746 10,750 2,753 1,755 2,764 28,765 6,766 1,767 9,768 3,773 3,777 0.6,778 3,792 1,793 4,796 1,797 1,815 1,819 3,821 2,823 2,824 1,827 33,830 1,833 7,834 1,835 1,837 1,838 2,842 1,846 1,847 4.9,850 2,852 1,854 16.917,855 11.46,856 7.042,857 3.768,858 3.14,859 1.376,860 1.013,861 6.618,862 11.485,863 3.871,864 4.53,865 5.093,866 5.7,867 6.242,868 6.575,869 6.939,870 7.306,871 7.38,872 7.571,873 1,874 58,875 12.553,877 5.73,878 7.683,879 24.048,881 20.947,883 2.183,884 72.028,888 317.82,889 150.439,890 22.654,891 39.149,892 55.313,894 37.085,895 113.354,896 412.281,897 22.654,898 19.708,899 16.026,900 62.665,901 60.718,902 37.265,903 0.746,904 349.097,905 39.149,906 317.82,907 136.008,908 55.313,909 76.234,911 270.735,912 102.397,915 27.976,916 91.627,917 61.361,918 31.278,919 317.82,920 77.966,921 189.588,923 5.807,924 317.82,925 68.066,926 82.814,927 16.405,928 94.461,929 317.82,930 77.966,931 189.588,933 0.597,934 0.357,935 0.197,936 0.111,937 29,938 13,939 0.077,940 5,941 2,942 1.16,943 4.288,944 323.98,945 0.16,946 25,947 162.465,948 1,950 1,951 23.369,952 9.346,953 4.629,954 1.77,955 77.966,956 10.969,960 1.261,961 3.85,963 16.405,964 585.374,965 47,968 -3.747,970 26.643,975 61.251,976 68.305,977 0.292,978 0.613,979 0.816,980 0.929,981 0.929,982 0.929,983 5.159,984 1.842,985 6.133,986 5.952,987 4.71,988 5.218,989 1.481,990 7.026,991 4.568,992 6.402,993 1.618,994 7.749,995 5.573,996 4.511,997 5.359,998 0.57,999 8.212,1000 4.261,1001 7.765,1002 1.437,1003 9.472,1004 4.382,1005 6.422,1006 7.555,1007 1.104,1008 11.298,1009 6.14,1010 9.167,1011 1.363,1012 11.26,1013 4.302,1014 7.022,1015 8.516,1016 0.479,1017 13.307,1018 6.62,1019 10.607,1020 1.118,1021 13.091,1022 3.256,1023 8.459,1024 10.274,1025 0.854,1026 15.988,1027 8.019,1028 12.073,1029 0.762,1030 14.953,1031 2.84,1032 9.406,1033 11.576,1034 0.346,1035 18.319,1036 8.846,1037 13.56,1038 0.692,1039 16.839,1040 1.903,1041 10.681,1042 13.192,1043 0.661,1044 20.892,1045 10.063,1046 3.491,1047 0.602,1048 18.743,1049 1.556,1050 11.779,1051 14.637,1052 0.237,1053 23.352,1054 11.046,1055 3.092,1056 13.079,1057 20.662,1058 1.141,1059 13.002,1060 16.207,1061 0.505,1062 25.901,1063 12.193,1064 2.95,1065 10.367,1066 22.593,1067 4.864,1068 14.166,1069 17.715,1070 0.158,1071 28.416,1072 13.245,1073 2.802,1074 10.06,1075 24.534,1076 4.318,1077 15.379,1078 19.273,1079 0.382,1080 30.966,1081 14.367,1082 2.287,1083 9.033,1084 26.484,1085 3.945,1086 16.574,1087 20.81,1088 0.104,1089 33.507,1090 15.452,1091 2.166,1092 6.87,1093 28.442,1094 3.075,1095 17.789,1096 22.368,1097 0.285,1098 36.063,1099 16.568,1100 2.015,1101 6.157,1102 30.406,1103 2.936,1104 19.001,1105 23.919,1106 0.068,1107 38.617,1108 17.67,1109 14523,1110 23807,1111 24.561,1112 42.432,1113 56.457,1114 58.2,1115 58.772,1116 56.653,1117 56.474,1118 71.649,1119 4.92,1120 172.942,1121 52.414,1122 5.94,1123 6.713,1124 7.128,1125 5.571,1126 5.491,1127 7.864,1128 1.72,1129 21.164,1130 5.151,1131 16.742,1132 1.526,1133 1.573,1134 1.588,1135 1.531,1136 1.526,1137 1.936,1138 0.133,1139 4.674,1140 1.417,1141 4.168,1142 4.153,1143 4.796,1144 4.213,1145 7.717,1146 4.123,1147 3.991,1148 4.034,1149 4.198,1150 3.889,1151 6.999,1152 3.886,1153 3.875,1154 3.906,1155 3.918,1156 3.77,1157 4.973,1158 3.737,1159 3.741,1160 3.715,1161 3.759,1162 3.681,1163 4.859,1164 3.62,1165 3.477,1166 3.549,1167 3.728,1168 3.315,1169 4.513,1170 3.304,1171 3.335,1172 3.38,1173 3.315,1174 3.244,1175 4.422,1176 3.195,1177 3.229,1178 3.304,1179 3.09,1180 3.052,1181 4.367,1182 3.03,1183 3.215,1184 3.286,1185 3.075,1186 2.984,1187 3.988,1188 2.965,1189 0.134,1190 0.127,1191 0.201,1192 0.119,1193 0.094,1194 4.94,1195 0.131,1196 4.713,1197 0.023,1198 7.441,1199 0.353,1200 4.396,1201 0.085,1202 3.491,1203 4.864,1204 0.86,1205 13.079,1206 3.151,1207 1.951,1208 1.932,1209 2.1,1210 2.107,1211 1.473,1212 2.11,1213 1.924,1214 1.908,1215 1.982,1216 1.991,1217 1.184,1218 2.012,1219 1.849,1220 1.818,1221 1.962,1222 1.96,1223 1.163,1224 1.977,1225 1.704,1226 1.731,1227 1.749,1228 1.773,1229 1.047,1230 1.831,1231 1.481,1232 1.408,1233 1.674,1234 1.674,1235 0.949,1236 1.705,1237 1.287,1238 1.256,1239 1.571,1240 1.53,1241 0.902,1242 1.555,1243 1.24,1244 1.16,1245 1.562,1246 1.458,1247 0.603,1248 1.499,1249 1.175,1250 1.107,1251 1.315,1252 1.433,1253 0.596,1254 1.481,1255 4.317,1257 5.687,1258 2.398,1259 7.253,1260 4.844,1261 8.907,1262 7.05,1263 10.604,1265 3.484,1266 6.126,1271 7.789,1272 2.795,1273 5.632,1275 0.547,1276 4.908,1280 39.259,1281 105.62,1282 221.762,1283 295.246,1284 336.265,1285 336.265,1286 336.265,1287 64.289,1288 8.345,1289 61.88,1290 98.5,1291 29,1292 12.973,1293 4.248,1294 3.459,1295 47.808,1296 142,1297 136,1298 0.163,1299 246.494,1300 422.38,1301 593.206,1302 54710,1303 1.6,1304 23.165,1305 0.702,1306 0.642,1307 24.268,1308 21.194,1309 15.853,1310 0.428,1311 0.376,1312 11.329,1313 13.93,1314 10.786,1315 8.878,1316 17.371,1317 13.918,1318 15.125,1319 0.275,1320 0.221,1321 17.466,1322 12.145,1323 12.862,1324 0.171,1325 0.136,1326 15.386,1327 10.217,1328 11.117,1329 0.109,1330 0.078,1331 13.587,1332 7.973,1333 9.234,1334 0.07,1335 0.047,1336 11.719,1337 6.193,1338 0.256,1339 114.23,1340 0.202,1341 30.449,1342 0.45,1343 184,1344 504.754,1345 281.338,1346 556.359,1347 754.04,1348 516,1349 222,1350 493.536,1351 321.699,1352 563.336,1353 831.73,1354 527,1355 6.5} {0 CHEMBL29433,1 1.759,2 11.719,3 5.52,4 30.468,5 133.207,6 8.485,7 0.444,8 4.175,9 4.27,10 4.011,11 3.801,12 5.143,13 3.732,14 4.773,15 4.93,16 4.417,17 4.247,18 5.911,19 4.155,20 5.019,21 5.203,22 4.516,23 4.418,24 6.002,25 4.29,26 5.103,27 5.294,28 4.409,29 4.429,30 6.107,31 4.278,32 5.139,33 5.364,34 4.408,35 4.339,36 6.197,37 4.2,38 5.011,39 5.215,40 4.318,41 4.249,42 6.071,43 4.122,44 4.961,45 5.171,46 4.286,47 4.201,48 6.077,49 4.07,50 4.937,51 5.155,52 4.112,53 4.149,54 5.933,55 4.007,56 0.091,57 0.871,58 13.639,59 6.059,60 14.749,61 7.017,62 0.452,63 1.5,64 29.484,65 11.024,66 56.212,67 12.528,68 0.491,69 1.867,70 40.146,71 14.473,72 35.119,73 16.941,74 0.348,75 1.975,76 49.295,77 17.818,78 40.881,79 20.136,80 0.716,81 1.903,82 51.235,83 16.284,84 85.192,85 18.776,86 0.686,87 1.69,88 46.333,89 14.453,90 66.466,91 16.549,92 0.797,93 1.636,94 42.213,95 13.922,96 89.845,97 16.4,98 0.564,99 1.576,100 43.111,101 13.953,102 69.674,103 15.796,104 27,105 54,106 0.285,107 0.598,108 0.785,109 0.884,110 0.884,111 0.884,112 3.503,113 1.118,114 -4.11,115 -4.06,116 -3.84,119 39.7,120 1,121 2,124 1,125 4,127 1,140 6,141 2,142 4,150 1,151 1,169 6,171 1,172 4,174 2,176 2,178 10,181 2,182 8,186 3,189 10,193 10,195 1,197 2,199 3,203 7,206 1,208 2,211 8,214 3,215 4,220 1,222 8,225 2,226 6,229 1,231 2,233 8,237 4,242 1,244 5,248 2,249 6,256 3,259 1678,260 21.444,261 21.444,262 21.444,263 21.444,264 21.444,265 19.247,266 26.608,267 12.139,268 22.278,269 17.702,270 17.702,271 17.702,272 17.702,273 17.702,274 14.207,275 33.781,276 5.681,277 19.095,278 4.099,279 2.168,280 1.018,281 0.405,282 0.405,283 0.405,284 4.206,285 1,289 1,290 834,291 3.674,294 147.629,295 276.478,298 267.867,302 1.691,303 35.656,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.833,315 375,316 4.94,317 4.713,318 7.441,319 4.396,320 3.491,321 4.864,322 0.86,323 13.079,324 3.151,325 4.452,326 3.351,327 6.546,328 4.04,329 3.095,330 4.318,331 0.8,332 10.368,333 2.927,334 4.338,335 3.13,336 6.491,337 3.908,338 2.951,339 3.945,340 0.8,341 10.061,342 2.807,343 3.898,344 3.076,345 6.146,346 3.763,347 2.817,348 3.075,350 9.064,351 2.662,352 3.646,353 2.738,354 5.432,355 3.216,356 2.288,357 2.948,359 6.871,360 2.126,361 3.511,362 2.487,363 5.203,364 3.083,365 2.166,366 2.798,368 6.16,369 1.951,370 3.286,371 2.42,372 5.1,373 2.932,374 2.015,375 2.621,377 5.952,378 1.84,379 3.197,380 1.993,381 4.954,382 2.767,383 1.842,384 2.314,386 5.573,387 1.621,388 2.866,389 1.691,390 4.633,391 2.494,392 1.534,393 2.011,395 4.304,396 1.468,397 2.535,398 1.493,399 4.38,400 2.281,401 1.364,402 1.536,404 4.226,405 1.23,406 2.52,407 1.368,408 4.016,409 2.224,410 1.244,411 1.525,413 3.187,414 1.217,415 2.187,416 1.121,417 3.59,418 1.976,419 1,420 1.062,422 2.34,423 0.974,424 2.073,425 1.071,426 3.434,427 1.668,428 0.762,429 1.057,431 1.903,432 0.667,433 1.802,434 0.954,435 3.24,436 1.536,437 0.65,438 0.726,440 1.23,441 0.568,442 1.419,443 0.578,444 3.055,445 1.351,446 0.397,447 0.404,449 0.933,450 0.378,451 16.081,452 0.503,453 0.991,454 0.031,455 39.5,456 1.234,457 18.5,458 0.578,459 21,460 0.656,461 33.114,462 1.035,463 34.919,464 0.602,465 29.949,466 0.936,467 7.096,468 0.222,469 8.256,470 0.258,471 0.148,472 0.052,473 0.33,479 0.606,480 1.342,481 0.701,482 1.079,483 0.625,484 0.924,485 0.866,486 0.979,487 0.69,488 0.728,489 0.5,490 0.78,491 0.914,492 0.99,493 0.919,494 0.959,495 0.794,496 0.962,497 0.875,498 1.265,499 1.13,500 1.299,501 0.789,502 1.148,503 1.318,504 0.891,505 0.799,506 0.795,507 1.436,508 0.858,509 1.222,510 0.986,511 0.92,512 0.933,513 1.369,514 0.964,515 0.773,516 0.968,517 0.87,518 1.004,519 0.799,520 0.958,521 1.297,522 0.959,523 0.998,524 0.992,525 1.44,526 0.936,527 8,528 0.209,529 4.667,530 3.076,531 2.525,532 1.16,533 1.11,534 0.574,535 0.385,536 0.372,537 14404,538 38531,539 2.108,540 44.8,541 3,542 18,545 1,547 4,550 1.746,551 1.949,552 3.518,553 -0.31,559 102,560 1.759,561 3.69,562 4.84,563 5.453,564 5.453,565 5.453,566 2.93,567 4.789,568 4.974,569 3.675,570 1822.69,571 8.708,572 25977.2,577 339.763,578 1.617,579 4.916,580 0.222,581 0.007,582 0.086,583 0.056,584 0.049,585 0.025,586 0.025,587 0.013,588 0.01,589 0.011,590 0.504,591 0.33,592 0.75,593 0.731,594 166.729,595 0.071,596 -0.173,597 0.138,598 -0.056,599 -0.111,600 0.021,601 0.083,602 0.139,603 0.137,604 0.206,605 0.268,606 0.138,607 -0.026,608 0.089,609 0.03,610 0.034,611 -0.002,612 -0.004,613 -0.018,614 -0.232,615 -0.112,616 -0.213,617 0.079,618 -0.146,619 -0.118,620 0.079,621 0.098,622 0.14,623 -0.07,624 0.095,625 -0.029,626 0.002,627 0.008,628 0.009,629 -0.102,630 -0.017,631 0.286,632 0.025,633 0.069,634 -0.028,635 0.223,636 0.011,637 -0.154,638 0.019,639 -0.043,640 0.015,641 -0.136,642 0.039,643 4.659,644 6.283,645 0.75,646 29.867,647 1.006,648 1.119,649 2.883,650 8.314,651 0.701,652 3.611,653 4.007,654 4.317,655 4.625,656 4.844,657 4.956,658 5.118,659 5.252,660 5.226,661 5.303,662 6.929,663 0.651,664 492.11,665 3.611,666 5.198,667 6.08,668 6.997,669 7.894,670 8.812,671 9.716,672 10.634,673 11.541,674 12.459,675 5.2,678 1,680 1,681 1,687 2,688 6,692 1,693 6,695 16,709 1,712 1,713 1,714 58,716 18,717 2,718 36,720 62,721 23,722 14,723 6,724 6,730 5,731 7,732 1,736 1,740 3,743 3,745 14,746 9,750 2,753 1,755 2,764 26,765 6,766 1,767 9,768 3,773 3,777 0.6,778 3,789 1,792 2,793 3,796 2,815 1,819 3,821 2,823 2,824 1,827 32,830 1,833 6,834 1,835 1,837 1,838 2,842 1,846 1,847 5.2,850 2,852 1,854 16.417,855 10.96,856 6.792,857 3.518,858 3.139,859 1.381,860 1.019,861 6.14,862 11.381,863 3.85,864 4.519,865 5.087,866 5.696,867 6.23,868 6.571,869 6.936,870 7.303,871 7.37,872 7.565,873 0.875,874 55,875 12.171,877 5.585,878 7.704,879 23.232,881 20.28,883 2.204,884 70.528,888 294.278,889 147.905,890 22.654,891 39.149,892 55.313,894 37.085,895 110.819,896 388.739,897 22.654,898 19.708,899 13.492,900 62.665,901 60.718,902 37.265,903 0.746,904 325.555,905 39.149,906 294.278,907 133.473,908 55.313,909 76.234,911 247.193,912 102.397,915 25.441,916 91.627,917 61.361,918 31.278,919 294.278,920 77.966,921 187.053,923 5.807,924 294.278,925 65.531,926 82.814,927 16.405,928 94.461,929 294.278,930 77.966,931 187.053,933 0.6,934 0.36,935 0.198,936 0.106,937 29,938 13,939 0.081,940 5,941 2,942 1.167,943 4.213,944 311.914,945 0.167,946 24,947 158,948 1,950 1,951 22.417,952 8.764,953 4.291,954 1.768,955 77.966,956 10.944,960 1.259,961 3.839,963 16.405,964 559.297,965 46,968 -3.742,970 26.567,975 58.367,976 64.89,977 0.3,978 0.63,979 0.826,980 0.931,981 0.931,982 0.931,983 5.142,984 1.842,985 6.12,986 5.952,987 4.691,988 5.207,989 1.481,990 7.018,991 4.547,992 6.39,993 1.534,994 7.74,995 5.573,996 4.511,997 5.359,998 0.57,999 8.212,1000 4.261,1001 7.757,1002 1.364,1003 9.466,1004 4.304,1005 6.412,1006 7.552,1007 1.104,1008 11.297,1009 6.127,1010 9.163,1011 1.244,1012 11.257,1013 4.226,1014 7.031,1015 8.518,1016 0.479,1017 13.309,1018 6.631,1019 10.605,1020 1,1021 13.09,1022 3.187,1023 8.458,1024 10.274,1025 0.854,1026 15.989,1027 8.015,1028 12.073,1029 0.762,1030 14.953,1031 2.34,1032 9.416,1033 11.577,1034 0.346,1035 18.321,1036 8.858,1037 13.561,1038 0.65,1039 16.839,1040 1.903,1041 10.684,1042 13.192,1043 0.661,1044 20.893,1045 10.066,1046 3.491,1047 0.397,1048 18.744,1049 1.23,1050 11.787,1051 14.637,1052 0.237,1053 23.353,1054 11.056,1055 3.095,1056 13.079,1057 20.663,1058 0.933,1059 13.008,1060 16.208,1061 0.505,1062 25.902,1063 12.199,1064 2.951,1065 10.368,1066 22.594,1067 4.864,1068 14.173,1069 17.715,1070 0.158,1071 28.417,1072 13.255,1073 2.817,1074 10.061,1075 24.535,1076 4.318,1077 15.385,1078 19.274,1079 0.382,1080 30.967,1081 14.375,1082 2.288,1083 9.064,1084 26.486,1085 3.945,1086 16.58,1087 20.81,1088 0.104,1089 33.508,1090 15.461,1091 2.166,1092 6.871,1093 28.443,1094 3.075,1095 17.794,1096 22.368,1097 0.285,1098 36.063,1099 16.576,1100 2.015,1101 6.16,1102 30.407,1103 2.948,1104 19.006,1105 23.919,1106 0.068,1107 38.617,1108 17.678,1109 13339,1110 22131,1111 23.868,1112 40.671,1113 55.007,1114 56.864,1115 57.322,1116 55.436,1117 55.234,1118 70.41,1119 4.92,1120 170.499,1121 51.172,1122 5.94,1123 6.713,1124 6.981,1125 5.571,1126 5.491,1127 7.864,1128 1.72,1129 21.164,1130 5.151,1131 16.369,1132 1.528,1133 1.58,1134 1.592,1135 1.54,1136 1.534,1137 1.956,1138 0.137,1139 4.736,1140 1.421,1141 4.168,1142 4.153,1143 4.796,1144 4.213,1145 7.717,1146 4.123,1147 3.994,1148 4.039,1149 4.198,1150 3.89,1151 6.999,1152 3.888,1153 3.876,1154 3.906,1155 3.922,1156 3.771,1157 4.973,1158 3.738,1159 3.739,1160 3.711,1161 3.761,1162 3.678,1163 4.859,1164 3.618,1165 3.414,1166 3.491,1167 3.73,1168 3.263,1169 4.513,1170 3.241,1171 3.333,1172 3.379,1173 3.25,1174 3.226,1175 4.428,1176 3.188,1177 3.229,1178 3.288,1179 3.09,1180 2.985,1181 4.372,1182 2.965,1183 3.127,1184 3.217,1185 3.074,1186 2.956,1187 3.982,1188 2.928,1189 0.137,1190 0.131,1191 0.207,1192 0.122,1193 0.097,1194 4.94,1195 0.135,1196 4.713,1197 0.024,1198 7.441,1199 0.363,1200 4.396,1201 0.088,1202 3.491,1203 4.864,1204 0.86,1205 13.079,1206 3.151,1207 1.939,1208 1.929,1209 2.023,1210 2.066,1211 1.344,1212 2.066,1213 1.919,1214 1.905,1215 1.981,1216 1.969,1217 1.199,1218 1.988,1219 1.75,1220 1.767,1221 1.884,1222 1.904,1223 1.176,1224 1.927,1225 1.665,1226 1.629,1227 1.846,1228 1.759,1229 1.088,1230 1.798,1231 1.576,1232 1.505,1233 1.675,1234 1.747,1235 0.961,1236 1.795,1237 1.289,1238 1.258,1239 1.571,1240 1.53,1241 0.805,1242 1.555,1243 1.175,1244 1.107,1245 1.477,1246 1.446,1247 0.601,1248 1.489,1249 1.142,1250 1.058,1251 1.292,1252 1.367,1253 0.564,1254 1.407,1255 4.29,1257 5.666,1258 3.045,1259 7.231,1260 5.416,1261 8.88,1262 7.535,1263 10.574,1265 3.477,1266 6.117,1271 6.486,1272 2.785,1273 5.607,1275 0.557,1276 4.863,1280 37.732,1281 102,1282 214.033,1283 280.743,1284 316.253,1285 316.253,1286 316.253,1287 61.108,1288 8.242,1289 61.88,1290 98.5,1291 28,1292 12.971,1293 4.248,1294 3.459,1295 45.683,1296 134,1297 128,1298 0.166,1299 236.902,1300 405.08,1301 569.801,1302 47536,1303 1.7,1304 22.457,1305 0.702,1306 0.64,1307 23.561,1308 20.487,1309 15.353,1310 0.426,1311 0.373,1312 10.829,1313 13.43,1314 10.296,1315 8.461,1316 16.871,1317 13.418,1318 14.772,1319 0.274,1320 0.218,1321 17.113,1322 11.791,1323 12.612,1324 0.17,1325 0.135,1326 15.136,1327 9.967,1328 10.946,1329 0.108,1330 0.077,1331 13.417,1332 7.808,1333 8.697,1334 0.069,1335 0.046,1336 11.181,1337 5.753,1338 0.259,1339 111.23,1340 0.205,1341 29.647,1342 0.458,1343 180,1344 500.754,1345 277.338,1346 552.197,1347 748.28,1348 512,1349 218,1350 489.536,1351 317.699,1352 559.174,1353 825.97,1354 523,1355 7} {0 CHEMBL294547,1 1.33,2 14.133,3 4.778,4 22.832,5 124.274,6 6.773,7 0.618,8 4.165,9 4.303,10 3.676,11 3.727,12 5.137,13 3.682,14 4.733,15 4.927,16 3.999,17 4.16,18 5.593,19 4.08,20 5.017,21 5.262,22 3.951,23 4.31,24 5.745,25 4.166,26 5.109,27 5.385,28 3.864,29 4.303,30 5.79,31 4.125,32 5.078,33 5.373,34 3.807,35 4.216,36 5.738,37 4.039,38 4.96,39 5.24,40 3.777,41 4.132,42 5.66,43 3.973,44 4.907,45 5.19,46 3.707,47 4.051,48 5.624,49 3.889,50 4.813,51 5.105,52 3.511,53 3.935,54 5.502,55 3.762,56 0.088,57 0.904,58 13.512,59 5.407,60 12.024,61 7.766,62 0.224,63 1.498,64 24.885,65 9.307,66 18.81,67 13.605,68 0.214,69 1.805,70 33.751,71 13.256,72 22.878,73 19.393,74 0.23,75 1.883,76 37.593,77 14.682,78 27.475,79 21.634,80 0.27,81 1.793,82 36.968,83 13.908,84 28.21,85 20.707,86 0.25,87 1.642,88 32.661,89 12.013,90 24.574,91 17.951,92 0.267,93 1.558,94 31.095,95 11.201,96 26.043,97 16.814,98 0.275,99 1.401,100 28.568,101 9.785,102 23.963,103 14.856,105 46,106 0.215,107 0.541,108 0.723,109 0.811,110 0.834,111 0.834,112 3.44,113 0.976,114 -5.91,115 -5.77,116 -5.37,119 42.4,121 5,122 1,125 3,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 15,171 2,172 5,176 3,178 17,182 4,186 3,189 14,193 7,197 1,199 12,203 7,206 1,211 10,215 6,218 1,222 7,226 5,229 2,233 5,236 1,237 4,242 2,244 7,254 1,256 9,259 1518,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 21.698,267 12.752,268 21.425,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.28,275 18.912,276 6.123,277 17.404,278 4.552,279 2.526,280 1.399,281 0.852,282 0.712,283 0.712,284 4.156,288 1,289 1,290 956,291 2.828,294 156.712,295 299.286,298 132.918,302 2.209,303 10.044,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 62.5,315 424,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.925,327 6.095,328 3.711,329 2.754,330 3.731,332 8.884,333 2.691,334 3.941,335 2.88,336 5.616,337 3.688,338 2.724,339 3.457,341 7.788,342 2.577,343 3.608,344 2.734,345 5.332,346 3.433,347 2.473,348 2.813,350 6.951,351 2.375,352 3.43,353 2.204,354 5.129,355 3.089,356 2.109,357 2.638,359 6.017,360 2.06,361 3.251,362 2.129,363 4.953,364 2.981,365 2.007,366 2.588,368 5.851,369 1.947,370 3.172,371 1.794,372 4.514,373 2.73,374 1.776,375 2.243,377 4.655,378 1.69,379 2.828,380 1.508,381 4.133,382 2.428,383 1.429,384 1.933,386 3.482,387 1.427,388 2.74,389 1.361,390 3.598,391 2.306,392 1.321,393 1.843,395 3.046,396 1.3,397 2.5,398 1.153,399 3.464,400 2.086,401 1.12,402 1.5,404 2.526,405 1.079,406 2.426,407 1.077,408 3.414,409 2,410 1,411 1.4,413 2.275,414 1,415 2.256,416 1,417 3.316,418 1.984,419 1,420 1.196,422 2.136,423 0.983,424 2.118,425 0.931,426 3.247,427 1.86,428 0.895,429 1,431 2.097,432 0.862,433 2,434 0.668,435 3.176,436 1.563,437 0.618,438 0.927,440 1.469,441 0.578,442 1.986,443 0.618,444 3,445 1.518,446 0.605,447 0.823,449 1.372,450 0.556,451 14.5,452 0.483,453 0.496,454 0.017,455 37.5,456 1.25,457 18,458 0.6,459 19.5,460 0.65,461 26.643,462 0.888,463 31.7,464 0.537,465 23.899,466 0.797,467 7.023,468 0.234,469 7.826,470 0.261,473 0.262,479 0.862,480 1.306,481 0.867,482 1.089,483 0.636,484 0.998,485 1.136,486 1.057,487 1.035,488 1.019,489 0.78,490 1.018,491 0.883,492 1.038,493 1.062,494 1.099,495 0.728,496 1.098,497 0.724,498 1.03,499 0.998,500 1.09,501 0.718,502 1.073,503 0.71,504 0.927,505 0.885,506 0.954,507 0.773,508 0.939,509 0.856,510 1.008,511 0.949,512 1.004,513 0.788,514 0.988,515 0.852,516 1.039,517 0.958,518 1.028,519 0.818,520 1.007,521 1.224,522 0.882,523 1.078,524 0.939,525 1.251,526 0.985,527 4.5,528 0.095,529 2.667,530 1.069,531 0.997,532 0.597,533 0.483,534 0.242,535 0.139,536 0.124,537 15246,538 31698,539 2.228,540 49.2,541 5,542 14,543 1,544 2,545 1,547 6,550 1.72,551 2.195,552 3.767,553 -0.415,559 78.488,560 1.33,561 3.356,562 4.484,563 5.031,564 5.171,565 5.171,566 3.248,567 4.374,568 4.879,569 3.964,570 1724.35,571 8.465,572 25725.5,574 1,577 347.076,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.025,584 0.027,585 0.017,586 0.014,587 0.008,588 0.006,589 0.005,590 0.297,591 0.33,592 0.75,594 158.756,595 0.16,596 -0.11,597 0.086,598 -0.033,599 0.282,600 0.01,601 -0.01,602 0.07,603 -0.062,604 -0.009,605 0.076,606 -0.035,607 -0.086,608 -0.045,609 -0.103,610 -0.079,611 0.006,612 -0.09,613 0.004,614 -0.101,615 -0.035,616 -0.079,617 0.048,618 -0.064,619 0.099,620 -0.018,621 0.092,622 0.035,623 0.079,624 0.058,625 0.06,626 -0.059,627 0.033,628 -0.021,629 0.062,630 -0.001,631 0.133,632 -0.088,633 0.03,634 -0.057,635 0.083,636 -0.029,637 -0.103,638 0.082,639 -0.077,640 0.01,641 -0.216,642 -0.024,643 0.561,644 0.924,645 0.867,646 34.88,647 0.985,648 1.127,649 4.683,650 21.93,651 0.664,652 3.555,653 3.85,654 4.127,655 4.382,656 4.554,657 4.615,658 4.762,659 4.89,660 4.927,661 4.97,662 8.274,663 0.617,664 399.59,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.378,672 10.248,673 11.117,674 11.99,675 8.5,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 59,716 21,717 2,718 34,720 63,721 25,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 5,745 16,746 9,747 1,764 29,765 3,766 1,767 5,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,827 30,833 8,837 1,838 1,844 1,854 13.667,855 10.3,856 6.583,857 3.816,858 3.588,859 1.445,860 1.023,861 5.849,862 11.66,863 3.818,864 4.394,865 4.989,866 5.577,867 6.013,868 6.337,869 6.786,870 7.212,871 7.398,872 7.614,873 1,874 42,875 11.092,877 4.678,878 7.372,879 22.251,881 18.954,883 1.872,884 56.167,887 1,888 329.591,889 134.929,890 55.135,895 134.929,896 329.591,897 55.135,899 18.99,900 84.857,901 74.105,902 33.51,903 13.915,904 294.278,906 329.591,907 190.064,911 258.964,912 70.627,915 58.036,916 98.702,917 33.326,919 329.591,920 55.135,921 134.929,924 329.591,925 32.835,926 107.118,927 16.786,928 33.326,929 329.591,930 55.135,931 134.929,933 0.571,934 0.332,935 0.182,936 0.093,937 23,938 8,939 0.111,940 7,941 1,942 1.077,943 4.495,944 260.457,945 0.077,946 26,947 135.207,951 19.383,952 9.053,953 4.622,954 2.506,955 36.45,956 23.1,957 7.837,958 3.424,961 3.994,962 1.954,963 16.786,964 519.655,965 44.5,975 58.112,976 66.474,977 0.226,978 0.571,979 0.762,980 0.855,981 0.879,982 0.879,983 5.032,984 1.429,985 5.872,986 4.655,987 4.533,988 5.081,989 0.673,990 6.632,991 4.473,992 6.2,993 1.321,994 7.388,995 3.482,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.478,1002 1.12,1003 9.004,1004 3.046,1005 6.071,1006 7.251,1007 0.379,1008 10.5,1009 5.954,1010 8.794,1011 1,1012 10.682,1013 2.526,1014 6.33,1015 7.822,1016 0.268,1017 12.163,1018 6.176,1019 10.149,1020 1,1021 12.402,1022 2.275,1023 7.884,1024 9.764,1025 0.239,1026 14.735,1027 7.716,1028 11.531,1029 0.895,1030 14.151,1031 2.136,1032 8.569,1033 10.807,1034 0.188,1035 16.77,1036 8.369,1037 12.935,1038 0.618,1039 15.922,1040 2.097,1041 9.86,1042 12.487,1043 0.156,1044 19.17,1045 9.647,1046 3.118,1047 0.605,1048 17.71,1049 1.469,1050 10.757,1051 13.766,1052 0.125,1053 21.369,1054 10.519,1055 2.754,1056 10.431,1057 19.51,1058 1.372,1059 11.935,1060 15.335,1061 0.102,1062 23.714,1063 11.683,1064 2.724,1065 8.884,1066 21.321,1067 4.518,1068 12.939,1069 16.729,1070 0.082,1071 25.985,1072 12.667,1073 2.473,1074 7.788,1075 23.141,1076 3.731,1077 14.072,1078 18.253,1079 0.066,1080 28.316,1081 13.785,1082 2.109,1083 6.951,1084 24.968,1085 3.457,1086 15.129,1087 19.703,1088 0.054,1089 30.62,1090 14.826,1091 2.007,1092 6.017,1093 26.802,1094 2.813,1095 16.246,1096 21.211,1097 0.043,1098 32.95,1099 15.928,1100 1.776,1101 5.851,1102 28.641,1103 2.638,1104 17.332,1105 22.689,1106 0.035,1107 35.27,1108 16.999,1109 13806,1110 20123,1111 24.038,1112 39.165,1113 50.69,1114 50.178,1115 50.24,1116 50.279,1117 50.305,1118 65.67,1119 1.6,1120 138.967,1121 48.781,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1132 1.491,1133 1.476,1134 1.478,1135 1.479,1136 1.48,1137 1.931,1138 0.047,1139 4.087,1140 1.435,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.07,1147 3.963,1148 4.007,1149 3.872,1150 3.889,1151 4.927,1152 3.88,1153 3.834,1154 3.907,1155 3.789,1156 3.684,1157 4.752,1158 3.681,1159 3.8,1160 3.857,1161 3.694,1162 3.585,1163 4.338,1164 3.621,1165 3.536,1166 3.602,1167 3.387,1168 3.395,1169 4.253,1170 3.39,1171 3.302,1172 3.367,1173 3.195,1174 3.148,1175 3.968,1176 3.151,1177 3.162,1178 3.244,1179 3.004,1180 2.993,1181 3.789,1182 2.983,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.674,1188 2.91,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.568,1195 0.133,1196 3.196,1197 0.024,1198 6.566,1199 0.307,1200 4.099,1201 0.09,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.963,1208 1.937,1209 2.116,1210 2.074,1211 1.481,1212 2.091,1213 1.95,1214 1.916,1215 2.043,1216 2.048,1217 1.291,1218 2.047,1219 1.808,1220 1.754,1221 1.984,1222 1.95,1223 1.144,1224 1.965,1225 1.661,1226 1.607,1227 1.871,1228 1.82,1229 1.082,1230 1.84,1231 1.413,1232 1.341,1233 1.602,1234 1.667,1235 0.825,1236 1.648,1237 1.345,1238 1.282,1239 1.513,1240 1.541,1241 0.799,1242 1.546,1243 1.153,1244 1.078,1245 1.506,1246 1.442,1247 0.649,1248 1.429,1249 1.152,1250 1.064,1251 1.432,1252 1.376,1253 0.578,1254 1.394,1255 4.234,1257 5.533,1258 3.045,1259 7.02,1260 5.283,1261 8.591,1262 7.286,1263 10.206,1271 9.859,1275 0.841,1276 2.652,1280 36.429,1281 78.488,1282 198.026,1283 264.547,1284 296.811,1285 305.076,1286 305.076,1287 34.959,1288 8.072,1289 49.74,1290 49.74,1291 28,1292 12.532,1293 4.459,1294 3.524,1295 42.015,1296 152,1297 142,1298 0.132,1299 221.237,1300 366.9,1301 531.578,1302 43698,1304 20.175,1305 0.673,1306 0.579,1307 20.175,1308 17.374,1309 14.848,1310 0.437,1311 0.325,1312 10.958,1313 14.435,1314 10.738,1315 8.888,1316 14.848,1317 11.063,1318 12.936,1319 0.281,1320 0.185,1321 12.936,1322 8.491,1323 11.214,1324 0.184,1325 0.106,1326 11.214,1327 6.463,1328 9.414,1329 0.119,1330 0.06,1331 9.414,1332 4.723,1333 7.272,1334 0.077,1335 0.036,1336 7.272,1337 3.401,1338 0.217,1339 91.732,1340 0.204,1341 29.237,1342 0.337,1343 160,1344 352.913,1345 169.103,1346 354.358,1347 503.47,1348 336,1349 187,1350 387.363,1351 197.463,1352 396.587,1353 573.36,1354 374,1355 9.456} {0 CHEMBL294649,1 1.504,2 8.783,3 1.96,4 3.84,5 88.927,6 7.078,7 0.385,8 3.889,9 4.016,10 3.427,11 3.426,12 4.896,13 3.4,14 4.492,15 4.681,16 3.822,17 3.881,18 5.452,19 3.832,20 4.795,21 5.017,22 3.868,23 4.038,24 5.84,25 3.938,26 4.833,27 5.094,28 3.706,29 3.924,30 5.79,31 3.802,32 4.642,33 4.889,34 3.639,35 3.677,36 5.811,37 3.609,38 4.436,39 4.626,40 3.526,41 3.513,42 5.756,43 3.486,44 4.303,45 4.488,46 3.331,47 3.46,48 5.504,49 3.407,50 4.261,51 4.483,52 3.248,53 3.528,54 5.12,55 3.412,56 0.015,57 0.668,58 9.646,59 4.033,60 5.378,61 5.579,62 0.187,63 1.141,64 19.168,65 6.817,66 16.938,67 9.849,68 0.36,69 1.403,70 27.126,71 9.798,72 59.34,73 14.095,74 0.302,75 1.333,76 29.472,77 9.945,78 43.787,79 14.523,80 0.404,81 1.042,82 24.931,83 7.768,84 55.774,85 10.915,86 0.363,87 0.837,88 20.085,89 6.08,90 66.427,91 7.875,92 0.336,93 0.782,94 17.345,95 5.173,96 59.782,97 6.784,98 0.198,99 0.825,100 15.875,101 5.753,102 27.54,103 8.164,104 10,105 38,106 0.261,107 0.605,108 0.782,109 0.835,110 0.843,111 0.843,112 3.189,113 0.952,114 -2.58,115 -2.6,116 -2.54,119 40.9,121 2,122 1,124 1,125 3,127 1,140 4,141 2,149 1,150 1,155 1,156 1,169 7,172 6,174 1,176 1,178 6,181 1,182 5,184 2,186 3,189 4,192 1,193 4,197 1,199 1,202 2,203 6,206 1,208 1,211 1,214 1,215 6,220 2,222 3,226 3,231 1,233 3,236 1,237 3,244 4,249 2,256 5,259 665,260 15.585,261 15.585,262 15.585,263 15.585,264 15.585,265 14.2,266 17.222,267 8.951,268 15.796,269 12.811,270 12.811,271 12.811,272 12.811,273 12.811,274 10.602,275 20.199,276 4.241,277 13.118,278 3.956,279 1.977,280 0.961,281 0.654,282 0.608,283 0.608,284 3.884,287 1,288 1,289 1,290 452,291 3.24,294 47.627,295 253.937,298 89.787,302 1.308,303 23.834,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49.5,315 202,316 4.68,317 3.853,318 6.859,319 4.241,320 3.251,321 4.629,322 1.058,323 11.376,324 3.225,325 4.099,326 3.209,327 6.252,328 3.945,329 2.976,330 3.456,331 0.8,332 9.424,333 2.886,334 3.901,335 3.075,336 6.075,337 3.653,338 2.645,339 2.953,341 8.52,342 2.654,343 3.372,344 2.806,345 5.283,346 3.068,347 2.136,348 2.708,350 6.49,351 1.987,352 3.277,353 2.373,354 5.179,355 2.903,356 1.943,357 2.538,359 5.957,360 1.861,361 3.091,362 2.015,363 4.79,364 2.806,365 1.82,366 2.108,368 5.033,369 1.784,370 2.747,371 1.748,372 4.41,373 2.496,374 1.506,375 1.808,377 4.178,378 1.486,379 2.595,380 1.679,381 3.796,382 2.207,383 1.21,384 1.596,386 2.818,387 1.203,388 2.439,389 1.203,390 3.583,391 2.008,392 1,393 1.36,395 2.512,396 1,397 2.106,398 1.077,399 3.414,400 1.984,401 1,402 1,404 2.275,405 0.983,406 2,407 0.901,408 3.268,409 1.555,410 0.509,411 0.754,413 1.262,414 0.526,415 1.056,416 0.549,417 2.679,418 0.837,419 -0.156,420 -0.177,422 -0.395,423 -0.153,424 0.794,425 -0.198,426 2.374,427 0.392,428 -0.572,429 -0.729,431 -1.348,432 -0.547,433 0.698,434 -0.419,435 2.291,436 0.23,437 -0.763,438 -0.775,440 -1.876,441 -0.753,442 0.426,443 -0.581,444 2,445 0.191,446 -0.801,447 -1,449 -2.021,450 -0.79,451 10.867,452 0.472,453 0.627,454 0.027,455 26.5,456 1.152,457 11,458 0.478,459 15.5,460 0.674,461 19.577,462 0.851,463 25.133,464 0.571,465 18.871,466 0.82,467 5.013,468 0.218,469 6.118,470 0.266,471 0.107,473 0.396,479 0.675,480 1.434,481 0.801,482 1.136,483 0.491,484 1.004,485 0.823,486 1.076,487 0.91,488 0.932,489 0.489,490 0.913,491 0.691,492 1.088,493 0.991,494 1.104,495 0.548,496 1.088,497 0.922,498 1.035,499 0.94,500 1.038,501 0.938,502 0.997,503 1.399,504 0.834,505 0.882,506 0.864,507 1.727,508 0.813,509 2.352,510 1.001,511 1.178,512 0.949,513 2.935,514 0.926,515 2.491,516 0.95,517 1.442,518 0.889,519 2.83,520 1.011,521 1.008,522 1.008,523 1.163,524 1.031,525 0.937,526 1.109,527 4.5,528 0.053,529 3.111,530 2.014,531 1.209,532 0.799,533 0.382,534 0.278,535 0.172,536 0.108,537 5835,538 12669,539 2.141,540 47.7,542 14,543 1,545 1,547 5,550 1.658,551 2,552 3.132,553 -0.326,554 1,555 1,557 1,559 66.163,560 1.504,561 3.483,562 4.499,563 4.806,564 4.851,565 4.851,566 2.496,567 4.143,568 4.502,569 3.276,570 828.712,571 7.748,572 9258.73,574 1,576 1,577 240.215,578 1.422,579 4.454,580 0.173,581 0.006,582 0.082,583 0.054,584 0.04,585 0.029,586 0.015,587 0.013,588 0.009,589 0.006,590 0.428,591 0.67,592 1,593 0.58,594 106.445,595 -0.019,596 -0.205,597 0.068,598 -0.046,599 -0.003,600 0.011,601 -0.028,602 0.09,603 0.015,604 0.073,605 0.053,606 0.06,607 0.148,608 -0.049,609 -0.045,610 -0.107,611 0.206,612 -0.103,613 0.032,614 -0.095,615 0.046,616 -0.074,617 0.017,618 -0.019,619 0.079,620 0.083,621 0.169,622 0.069,623 -0.037,624 0.123,625 -0.247,626 -0.071,627 -0.086,628 -0.006,629 -0.279,630 -0.026,631 -0.523,632 0.053,633 -0.377,634 0.052,635 -0.468,636 -0.119,637 -0.148,638 0.034,639 -0.219,640 -0.032,641 -0.156,642 -0.126,643 2.139,644 5.613,645 0.739,646 15.293,647 0.998,648 1.128,649 1.351,650 1.824,651 0.654,652 3.296,653 3.664,654 3.989,655 4.277,656 4.522,657 4.489,658 4.511,659 4.533,660 4.554,661 4.615,662 5.415,663 0.619,664 311.42,665 3.296,666 4.86,667 5.74,668 6.64,669 7.535,670 8.438,671 9.337,672 10.24,673 11.141,674 12.045,675 6.8,678 1,682 1,683 1,687 2,688 5,693 1,694 1,695 10,700 1,714 44,716 12,717 1,718 26,720 47,721 18,722 8,723 2,724 4,725 2,730 4,731 6,740 3,741 1,743 3,745 10,746 8,747 1,750 2,755 2,759 2,760 1,761 1,764 21,765 4,766 1,767 5,773 3,777 0.5,778 2,788 1,792 1,793 4,796 1,805 1,815 1,819 2,823 1,827 23,833 5,834 1,837 2,838 1,847 4.5,850 2,854 11.5,855 8.067,856 4.917,857 2.79,858 2.036,859 1.281,860 1.001,861 3.646,862 9.281,863 3.526,864 4.115,865 4.726,866 5.297,867 5.782,868 6.044,869 6.345,870 6.609,871 6.505,872 6.627,873 0.833,874 37,875 8.616,877 3.845,878 7.717,879 16.733,881 14.651,883 2.217,884 51,888 235.422,889 84.476,890 23.034,892 50.29,895 84.476,896 285.712,897 23.034,898 8.396,899 29.397,900 46.952,901 60.128,902 10.782,903 13.915,904 223.651,906 235.422,907 107.51,908 50.29,911 176.567,912 109.145,915 34.42,916 73.09,919 235.422,920 73.324,921 84.476,924 235.422,925 29.127,926 60.372,927 18.011,928 50.29,929 235.422,930 73.324,931 84.476,933 0.595,934 0.363,935 0.199,936 0.111,937 21,938 9,939 0.064,940 3,941 4,942 1.353,943 3.532,944 193.465,945 0.471,946 15,947 92.042,951 14.766,952 5.68,953 2.551,954 1.801,955 71.425,956 9.429,961 0.488,962 1.893,963 18.011,964 393.222,965 33,970 25.065,974 -0.904,975 43.912,976 49.651,977 0.275,978 0.638,979 0.824,980 0.88,981 0.889,982 0.889,983 4.8,984 1.21,985 5.746,986 4.178,987 4.344,988 4.8,989 1.435,990 6.603,991 4.303,992 6.001,993 1,994 7.336,995 2.818,996 4.007,997 4.705,998 0.325,999 7.57,1000 3.956,1001 7.319,1002 1,1003 9.026,1004 2.512,1005 5.984,1006 7.002,1007 1.379,1008 10.702,1009 5.907,1010 8.672,1011 0.509,1012 10.772,1013 2.275,1014 6.463,1015 7.803,1016 0.268,1017 12.499,1018 6.389,1019 10.063,1020 -0.156,1021 12.555,1022 1.262,1023 7.931,1024 9.611,1025 1.406,1026 15.155,1027 7.832,1028 11.481,1029 -0.572,1030 14.363,1031 -0.395,1032 8.781,1033 10.825,1034 0.188,1035 17.299,1036 8.685,1037 12.921,1038 -0.763,1039 16.19,1040 -1.348,1041 10.05,1042 12.455,1043 1.462,1044 19.793,1045 9.934,1046 3.251,1047 -0.801,1048 18.03,1049 -1.876,1050 11.069,1051 13.853,1052 0.125,1053 22.089,1054 10.951,1055 2.976,1056 11.376,1057 19.883,1058 -2.021,1059 12.262,1060 15.417,1061 1.533,1062 24.528,1063 12.128,1064 2.645,1065 9.424,1066 21.744,1067 4.629,1068 13.356,1069 16.892,1070 0.082,1071 26.892,1072 13.218,1073 2.136,1074 8.52,1075 23.613,1076 3.456,1077 14.522,1078 18.435,1079 1.613,1080 29.315,1081 14.371,1082 1.943,1083 6.49,1084 25.489,1085 2.953,1086 15.651,1087 19.942,1088 0.054,1089 31.71,1090 15.493,1091 1.82,1092 5.957,1093 27.37,1094 2.708,1095 16.809,1096 21.477,1097 1.698,1098 34.13,1099 16.642,1100 1.506,1101 5.033,1102 29.256,1103 2.538,1104 17.955,1105 22.998,1106 0.035,1107 36.541,1108 17.78,1109 5441,1110 8138,1111 17.512,1112 28.779,1113 40.691,1114 42.332,1115 41.513,1116 40.071,1117 39.989,1118 49.819,1119 3.717,1120 119.69,1121 39.188,1122 5.68,1123 5.853,1124 6.537,1125 5.279,1126 5.251,1127 7.629,1128 2.117,1129 18.859,1130 5.225,1131 9.786,1132 1.565,1133 1.628,1134 1.597,1135 1.541,1136 1.538,1137 1.916,1138 0.143,1139 4.603,1140 1.507,1141 4.146,1142 4.177,1143 4.111,1144 4.057,1145 7.498,1146 4.066,1147 3.967,1148 4.027,1149 3.86,1150 3.824,1151 7.353,1152 3.824,1153 3.58,1154 3.598,1155 3.537,1156 3.413,1157 4.911,1158 3.433,1159 3.425,1160 3.494,1161 3.312,1162 3.207,1163 4.436,1164 3.231,1165 3.155,1166 3.227,1167 3.01,1168 2.97,1169 4.289,1170 2.964,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.87,1176 2.91,1177 3.023,1178 3.118,1179 2.84,1180 2.808,1181 3.774,1182 2.805,1183 2.929,1184 2.986,1185 2.787,1186 2.742,1187 3.512,1188 2.747,1189 0.18,1190 0.148,1191 0.264,1192 0.163,1193 0.125,1194 4.68,1195 0.178,1196 3.853,1197 0.041,1198 6.859,1199 0.438,1200 4.241,1201 0.124,1202 3.251,1203 4.629,1204 1.058,1205 11.376,1206 3.225,1207 1.947,1208 1.921,1209 2.123,1210 2.111,1211 1.529,1212 2.119,1213 1.93,1214 1.878,1215 2.032,1216 2.025,1217 1.164,1218 2.028,1219 1.641,1220 1.607,1221 1.778,1222 1.843,1223 0.873,1224 1.821,1225 1.358,1226 1.302,1227 1.566,1228 1.628,1229 0.825,1230 1.609,1231 1.161,1232 1.091,1233 1.513,1234 1.376,1235 0.815,1236 1.429,1237 1.153,1238 1.064,1239 1.438,1240 1.371,1241 0.615,1242 1.395,1243 1.005,1244 0.922,1245 1.307,1246 1.268,1247 0.527,1248 1.29,1249 0.896,1250 0.842,1251 1.155,1252 1.13,1253 0.202,1254 1.145,1255 3.97,1257 5.323,1258 2.398,1259 6.891,1260 4.844,1261 8.547,1262 7.034,1263 10.244,1265 1.893,1271 5.35,1272 2.983,1275 0.633,1276 2.368,1280 27.235,1281 66.163,1282 153.247,1283 197.95,1284 211.46,1285 213.46,1286 213.46,1287 40.043,1288 7.245,1289 54.34,1290 54.34,1291 23,1292 12.565,1293 3.7,1294 3,1295 31.871,1296 75,1297 58,1298 0.209,1299 164.67,1300 283.46,1301 393.555,1302 13430,1304 15.974,1305 0.695,1306 0.578,1307 15.974,1308 13.288,1309 11.131,1310 0.428,1311 0.317,1312 8.14,1313 10.734,1314 7.954,1315 6.538,1316 11.131,1317 8.249,1318 10.338,1319 0.272,1320 0.177,1321 10.338,1322 6.718,1323 9.241,1324 0.174,1325 0.1,1326 9.241,1327 5.32,1328 7.729,1329 0.109,1330 0.056,1331 7.729,1332 4.007,1333 6.521,1334 0.072,1335 0.033,1336 6.521,1337 3.006,1338 0.323,1339 69.621,1340 0.239,1341 22.316,1342 0.59,1343 128,1344 335.094,1345 138.535,1346 323.107,1347 440.97,1348 302,1349 155,1350 322.174,1351 167.173,1352 327.4,1353 484.41,1354 308,1355 4.4} {0 CHEMBL294732,1 1.437,2 14.129,3 4.255,4 18.101,5 124.177,6 7.078,7 0.6,8 4.173,9 4.308,10 3.713,11 3.725,12 5.185,13 3.692,14 4.746,15 4.935,16 4.078,17 4.157,18 5.701,19 4.099,20 5.046,21 5.28,22 4.047,23 4.306,24 5.957,25 4.193,26 5.13,27 5.397,28 3.969,29 4.299,30 5.982,31 4.149,32 5.093,33 5.382,34 3.907,35 4.213,36 5.893,37 4.062,38 4.981,39 5.253,40 3.854,41 4.129,42 5.827,43 3.995,44 4.921,45 5.199,46 3.752,47 4.048,48 5.731,49 3.903,50 4.825,51 5.112,52 3.562,53 3.933,54 5.601,55 3.776,56 0.06,57 0.974,58 12.884,59 5.44,60 11.54,61 7.493,62 0.207,63 1.645,64 24.581,65 9.38,66 18.301,67 13.047,68 0.34,69 2.081,70 35.486,71 13.421,72 45.53,73 18.214,74 0.387,75 2.095,76 39.424,77 14.778,78 52.112,79 20.89,80 0.329,81 1.934,82 38.532,83 13.981,84 45.783,85 20.183,86 0.339,87 1.799,88 34.198,89 12.107,90 43.934,91 17.249,92 0.328,93 1.641,94 32.192,95 11.254,96 39.341,97 16.371,98 0.334,99 1.455,100 29.494,101 9.823,102 35.695,103 14.516,104 2,105 49,106 0.232,107 0.556,108 0.723,109 0.811,110 0.834,111 0.834,112 3.471,113 0.95,114 -6.02,115 -5.87,116 -5.46,119 42.4,121 5,125 3,129 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 3,178 16,182 3,186 3,189 12,193 7,197 1,199 10,203 7,206 1,211 8,215 6,218 1,222 6,226 5,229 2,233 4,236 1,237 4,242 2,244 6,256 8,259 1616,260 21.43,261 21.43,262 21.43,263 21.43,264 21.43,265 18.991,266 22.789,267 12.745,268 21.83,269 17.314,270 17.314,271 17.314,272 17.314,273 17.314,274 13.748,275 23.247,276 6.086,277 17.999,278 4.446,279 2.433,280 1.399,281 0.852,282 0.712,283 0.712,284 4.183,288 1,289 1,290 983,291 3.24,294 163.942,295 311.798,298 139.364,302 2.142,303 21.778,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 66,315 438,316 4.568,317 3.722,318 6.998,319 4.249,320 3.303,321 4.518,322 0.8,323 11.915,324 3.108,325 4.326,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,332 10.431,333 3.062,334 4.129,335 2.886,336 6.095,337 3.689,338 2.753,339 3.531,341 8.884,342 2.577,343 3.808,344 2.774,345 5.351,346 3.443,347 2.473,348 3.16,350 6.976,351 2.418,352 3.455,353 2.583,354 5.252,355 3.288,356 2.344,357 2.812,359 6.68,360 2.189,361 3.371,362 2.183,363 5.126,364 3.008,365 2.029,366 2.593,368 6,369 1.979,370 3.246,371 1.795,372 4.514,373 2.73,374 1.776,375 2.398,377 4.655,378 1.69,379 2.872,380 1.535,381 4.134,382 2.441,383 1.442,384 2.024,386 3.484,387 1.439,388 2.743,389 1.376,390 3.802,391 2.318,392 1.332,393 1.848,395 3.076,396 1.312,397 2.5,398 1.178,399 3.717,400 2.1,401 1.135,402 1.5,404 2.56,405 1.092,406 2.43,407 1.077,408 3.482,409 2,410 1,411 1.406,413 2.372,414 1,415 2.267,416 1,417 3.333,418 1.984,419 1,420 1.21,422 2.136,423 0.983,424 2.118,425 0.944,426 3.266,427 1.864,428 0.899,429 1,431 2.104,432 0.865,433 2,434 0.7,435 3.247,436 1.571,437 0.618,438 0.927,440 1.491,441 0.586,442 1.997,443 0.618,444 3.158,445 1.518,446 0.614,447 0.834,449 1.372,450 0.556,451 14.786,452 0.477,453 0.66,454 0.021,455 38.25,456 1.234,457 18,458 0.581,459 20.25,460 0.653,461 28.299,462 0.913,463 33.214,464 0.563,465 26.138,466 0.843,467 7.293,468 0.235,469 7.892,470 0.255,471 0.019,472 0.034,473 0.223,474 1,479 0.649,480 1.192,481 0.803,482 1.088,483 0.537,484 0.989,485 0.933,486 1.079,487 0.951,488 1.023,489 0.772,490 0.991,491 1.398,492 1.148,493 1.164,494 1.101,495 1.549,496 1.107,497 0.952,498 1.031,499 1.028,500 1.088,501 1.074,502 1.08,503 0.816,504 0.947,505 0.874,506 0.956,507 0.842,508 0.933,509 1.1,510 1.033,511 1.009,512 1.003,513 1.146,514 0.999,515 0.909,516 0.984,517 0.999,518 1.024,519 0.905,520 1.026,521 1.003,522 0.841,523 1.084,524 0.936,525 0.892,526 0.998,527 6,528 0.148,529 3.333,530 1.507,531 1.348,532 0.722,533 0.564,534 0.273,535 0.188,536 0.184,537 16167,538 37713,539 2.192,540 47.5,541 2,542 14,543 1,544 2,545 1,547 4,548 4,550 1.73,551 2.126,552 3.768,553 -0.393,555 1,559 84.764,560 1.437,561 3.449,562 4.484,563 5.031,564 5.171,565 5.171,566 3.232,567 4.438,568 4.927,569 3.961,570 1842.05,571 8.565,572 27897.7,574 1,577 347.076,578 1.156,579 4.911,580 0.171,581 0.006,582 0.068,583 0.033,584 0.034,585 0.019,586 0.016,587 0.009,588 0.007,589 0.007,590 0.37,591 0.33,592 0.75,593 0.32,594 165.208,595 0.054,596 -0.097,597 0.073,598 -0.033,599 0.014,600 0.01,601 -0.015,603 -0.019,604 -0.013,605 0.004,606 -0.016,607 -0.163,608 -0.017,609 -0.174,610 -0.074,611 -0.133,612 -0.115,613 0.018,614 -0.053,615 -0.046,616 -0.077,617 0.006,618 -0.073,619 0.043,620 -0.051,621 0.113,622 0.032,623 0.045,624 0.072,625 -0.045,626 -0.043,627 -0.011,628 -0.019,629 -0.045,630 -0.013,631 0.007,632 -0.059,633 -0.012,634 -0.055,635 -0.042,636 -0.042,637 -0.095,638 0.062,639 -0.092,640 0.01,641 -0.096,642 -0.029,643 2.312,644 7.264,645 0.839,646 35.118,647 0.994,648 1.132,649 4.785,650 22.901,651 0.663,652 3.584,653 3.912,654 4.174,655 4.431,656 4.615,657 4.673,658 4.796,659 4.92,660 4.956,661 5.011,662 8.276,663 0.624,664 417.58,665 3.584,666 5.13,667 5.979,668 6.858,669 7.721,670 8.604,671 9.473,672 10.358,673 11.232,674 12.118,675 8.5,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 59,716 21,717 2,718 35,720 63,721 25,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 5,745 16,746 9,747 1,748 1,761 1,762 1,764 28,765 4,766 1,767 6,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 1,827 31,833 8,838 1,839 1,844 1,846 1,854 14.583,855 10.36,856 6.708,857 3.727,858 3.559,859 1.438,860 1.022,861 5.778,862 11.68,863 3.839,864 4.431,865 5.009,866 5.596,867 6.033,868 6.356,869 6.8,870 7.224,871 7.401,872 7.621,873 1,874 45,875 11.542,877 5.002,878 7.567,879 22.632,881 19.339,883 2.067,884 64.083,887 1,888 317.82,889 134.929,890 55.135,893 14.96,895 134.929,896 317.82,897 70.095,899 18.99,900 84.857,901 74.105,902 33.51,903 28.875,904 282.506,906 317.82,907 190.064,908 14.96,911 238.611,912 94.169,915 58.036,916 98.702,917 33.326,919 332.78,920 55.135,921 134.929,924 317.82,925 32.835,926 107.118,927 16.786,928 48.286,929 317.82,930 70.095,931 134.929,933 0.581,934 0.335,935 0.18,936 0.094,937 25,938 9,939 0.111,940 7,941 1,942 1.077,943 4.496,944 275.905,945 0.077,946 26,947 141.58,951 20.264,952 8.84,953 4.67,954 2.392,955 51.41,956 21.939,957 7.793,958 3.379,961 3.488,962 1.919,963 16.786,964 522.844,965 45.5,975 58.625,976 66.814,977 0.244,978 0.586,979 0.762,980 0.855,981 0.879,982 0.879,983 5.077,984 1.442,985 5.969,986 4.655,987 4.595,988 5.118,989 0.673,990 6.788,991 4.519,992 6.273,993 1.332,994 7.53,995 3.484,996 4.205,997 4.832,998 0.325,999 7.91,1000 4.046,1001 7.578,1002 1.135,1003 9.202,1004 3.076,1005 6.236,1006 7.305,1007 0.379,1008 10.919,1009 6.077,1010 8.922,1011 1,1012 10.944,1013 2.56,1014 6.723,1015 7.925,1016 0.268,1017 12.897,1018 6.479,1019 10.302,1020 1,1021 12.734,1022 2.372,1023 8.198,1024 9.819,1025 0.239,1026 15.477,1027 7.947,1028 11.705,1029 0.899,1030 14.556,1031 2.136,1032 9.064,1033 10.874,1034 0.188,1035 17.756,1036 8.739,1037 13.127,1038 0.618,1039 16.4,1040 2.104,1041 10.336,1042 12.531,1043 0.156,1044 20.229,1045 9.991,1046 3.303,1047 0.614,1048 18.262,1049 1.491,1050 11.371,1051 13.809,1052 0.125,1053 22.616,1054 10.962,1055 3.118,1056 11.915,1057 20.136,1058 1.372,1059 12.57,1060 15.366,1061 0.102,1062 25.068,1063 12.129,1064 2.753,1065 10.431,1066 22.02,1067 4.518,1068 13.68,1069 16.756,1070 0.082,1071 27.496,1072 13.182,1073 2.473,1074 8.884,1075 23.913,1076 3.731,1077 14.855,1078 18.274,1079 0.066,1080 29.947,1081 14.319,1082 2.344,1083 6.976,1084 25.811,1085 3.531,1086 15.999,1087 19.72,1088 0.054,1089 32.394,1090 15.409,1091 2.029,1092 6.68,1093 27.716,1094 3.16,1095 17.169,1096 21.225,1097 0.043,1098 34.849,1099 16.535,1100 1.776,1101 6,1102 29.624,1103 2.812,1104 18.329,1105 22.699,1106 0.035,1107 37.306,1108 17.643,1109 14717,1110 22635,1111 24.326,1112 39.103,1113 52.765,1114 52.156,1115 52.482,1116 52.237,1117 52.163,1118 67.52,1119 1.6,1120 149.501,1121 50.191,1122 5.568,1123 5.722,1124 6.8,1125 5.308,1126 5.303,1127 7.518,1128 1.2,1129 18.579,1130 5.108,1131 7.311,1132 1.508,1133 1.49,1134 1.499,1135 1.492,1136 1.49,1137 1.929,1138 0.046,1139 4.271,1140 1.434,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 8.188,1146 4.07,1147 3.97,1148 4.013,1149 3.89,1150 3.889,1151 5.135,1152 3.883,1153 3.835,1154 3.907,1155 3.789,1156 3.684,1157 4.927,1158 3.684,1159 3.803,1160 3.858,1161 3.709,1162 3.585,1163 4.748,1164 3.622,1165 3.542,1166 3.607,1167 3.407,1168 3.395,1169 4.301,1170 3.392,1171 3.307,1172 3.371,1173 3.21,1174 3.148,1175 4.245,1176 3.154,1177 3.167,1178 3.249,1179 3.019,1180 2.992,1181 3.924,1182 2.985,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.764,1188 2.91,1189 0.131,1190 0.106,1191 0.2,1192 0.121,1193 0.094,1194 4.568,1195 0.129,1196 3.722,1197 0.023,1198 6.998,1199 0.34,1200 4.249,1201 0.089,1202 3.303,1203 4.518,1204 0.8,1205 11.915,1206 3.108,1207 1.962,1208 1.937,1209 2.097,1210 2.075,1211 1.439,1212 2.084,1213 1.946,1214 1.914,1215 2.042,1216 2.048,1217 1.284,1218 2.046,1219 1.804,1220 1.751,1221 1.98,1222 1.95,1223 1.143,1224 1.965,1225 1.658,1226 1.605,1227 1.863,1228 1.821,1229 1.08,1230 1.837,1231 1.412,1232 1.34,1233 1.594,1234 1.667,1235 0.825,1236 1.646,1237 1.342,1238 1.28,1239 1.513,1240 1.542,1241 0.776,1242 1.542,1243 1.153,1244 1.076,1245 1.5,1246 1.442,1247 0.64,1248 1.429,1249 1.149,1250 1.064,1251 1.426,1252 1.376,1253 0.578,1254 1.389,1255 4.263,1257 5.587,1258 3.045,1259 7.099,1260 5.283,1261 8.695,1262 7.286,1263 10.335,1267 15.264,1271 6.554,1276 2.417,1277 -1.062,1280 36.812,1281 84.764,1282 203.512,1283 264.547,1284 296.811,1285 305.076,1286 305.076,1287 49.977,1288 8.121,1289 49.74,1290 49.74,1291 28,1292 12.652,1293 4.459,1294 3.524,1295 44.036,1296 158,1297 142,1298 0.134,1299 222.435,1300 372.97,1301 534.502,1302 45730,1303 1.7,1304 21.098,1305 0.681,1306 0.57,1307 20.175,1308 17.675,1309 15.184,1310 0.434,1311 0.317,1312 10.958,1313 14.669,1314 10.747,1315 8.839,1316 14.848,1317 11.088,1318 13.772,1319 0.281,1320 0.177,1321 12.936,1322 8.671,1323 11.675,1324 0.182,1325 0.102,1326 11.214,1327 6.504,1328 9.72,1329 0.117,1330 0.056,1331 9.414,1332 4.677,1333 7.598,1334 0.076,1335 0.034,1336 7.272,1337 3.364,1338 0.219,1339 94.498,1340 0.203,1341 29.905,1342 0.344,1343 168,1344 447.024,1345 182.098,1346 416.452,1347 574.93,1348 392,1349 197,1350 430.697,1351 211.537,1352 433.018,1353 628.28,1354 408,1355 9.174} {0 CHEMBL295234,1 1.314,2 5,3 2.49,4 6.2,5 57.688,6 7.087,7 0.625,8 3.37,9 3.497,10 2.928,11 2.992,12 4.372,13 2.951,14 3.905,15 4.084,16 3.296,17 3.395,18 4.845,19 3.334,20 4.086,21 4.299,22 3.29,23 3.469,24 4.993,25 3.38,26 4.065,27 4.283,28 3.048,29 3.389,30 4.905,31 3.258,32 4.009,33 4.299,34 2.579,35 3.149,36 4.704,37 2.937,38 3.681,39 3.999,40 2.108,41 2.717,42 4.392,43 2.482,44 3.186,45 3.553,46 0.791,47 2.002,48 3.701,49 1.635,50 2.091,51 2.539,52 0.055,53 0.77,54 2.197,55 0.441,56 0.027,57 0.381,58 5.535,59 2.337,60 4.031,61 3.245,62 0.058,63 0.638,64 10.147,65 4.039,66 8.215,67 5.728,68 0.121,69 0.757,70 12.722,71 4.743,72 13.046,73 6.798,74 0.099,75 0.724,76 12.493,77 4.661,78 10.335,79 6.694,80 0.078,81 0.619,82 12.635,83 5.051,84 10.995,85 7.333,86 0.062,87 0.434,88 9.341,89 3.585,90 10.863,91 5.276,92 0.045,93 0.243,94 5.937,95 2.205,96 6.914,97 3.294,98 0.015,99 0.064,100 2.048,101 0.742,102 1.949,103 1.143,104 2,105 23,106 0.258,107 0.654,108 0.782,109 0.843,110 0.858,111 0.858,112 2.739,113 0.932,114 -3.17,115 -3.16,116 -3.04,119 46.2,120 1,121 1,125 1,140 4,141 2,150 2,155 1,169 6,172 2,176 3,178 6,182 1,184 1,186 4,189 6,193 1,197 1,199 5,203 2,211 3,215 2,222 2,259 128,260 9.707,261 9.707,262 9.707,263 9.707,264 9.707,265 8.276,266 7.254,267 5.704,268 9.827,269 7.91,270 7.91,271 7.91,272 7.91,273 7.91,274 5.759,275 7.082,276 2.695,277 8.105,278 3.386,279 1.371,280 0.721,281 0.414,282 0.337,283 0.337,284 3.411,288 1,289 1,290 155,291 1.581,294 15.39,295 44.908,298 63.477,302 0.714,303 5.869,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 29,315 70,316 4.669,317 3.391,318 6.843,319 4.228,320 3.247,321 4.602,322 0.986,323 11.378,324 3.184,325 3.925,326 2.788,327 5.906,328 3.476,329 2.5,330 3.382,332 8.034,333 2.438,334 3.309,335 2.151,336 5.111,337 2.883,338 1.902,339 2.608,341 5.782,342 1.864,343 3.057,344 1.726,345 4.349,346 2.533,347 1.571,348 2.289,350 3.955,351 1.511,352 2.719,353 1.424,354 3.811,355 2.293,356 1.323,357 1.776,359 3.054,360 1.279,361 2.458,362 1.272,363 3.598,364 2.165,365 1.176,366 1.451,368 2.812,369 1.162,370 1.857,371 0.66,372 3.089,373 1.453,374 0.492,375 0.655,377 1.19,378 0.472,379 0.873,380 0.047,381 2.416,382 0.667,383 -0.301,384 -0.338,386 -0.687,387 -0.291,388 0.75,389 -0.466,390 2.281,391 0.277,392 -0.701,393 -0.925,395 -1.78,396 -0.683,397 0.547,398 -0.761,399 2,400 0.099,401 -0.889,402 -1.244,404 -2.21,405 -0.879,406 0.24,407 -1.034,408 2,409 -0.193,410 -1.176,411 -1.515,413 -3.298,414 -1.154,415 -0.115,416 -1.12,417 1.451,418 -0.411,419 -1.377,420 -1.799,422 -3.576,423 -1.323,424 -0.379,425 -1.677,426 1.259,427 -0.869,428 -1.865,429 -2.446,431 -5.268,432 -1.773,433 -0.5,434 -1.858,435 1.096,436 -0.965,437 -1.902,438 -2.675,440 -5.893,441 -1.866,442 -0.582,443 -1.884,444 0.473,445 -1,446 -2,447 -2.823,449 -6.21,450 -1.94,451 6.8,452 0.486,453 0.312,454 0.022,455 18.5,456 1.321,457 9.5,458 0.679,459 9,460 0.643,461 8.987,462 0.642,463 14.2,464 0.546,465 9.557,466 0.683,467 3.637,468 0.26,469 3.223,470 0.23,471 0.074,473 0.368,479 0.968,480 1.132,481 0.816,482 0.936,483 0.937,484 0.876,485 1.001,486 1.125,487 0.819,488 0.927,489 0.906,490 0.87,491 1.215,492 0.983,493 1.005,494 0.942,495 1.133,496 0.953,497 1.468,498 1.154,499 1.329,500 1.207,501 1.246,502 1.247,503 0.742,504 0.977,505 1.063,506 1.1,507 0.754,508 1.107,509 0.744,510 0.945,511 0.972,512 1.015,513 1.033,514 1.013,515 0.767,516 0.755,517 1.006,518 0.939,519 1.195,520 0.983,527 2,529 1.778,530 1.326,531 0.671,532 0.181,533 0.08,537 1290,538 2704,539 2.2,540 46.2,542 6,545 1,546 3,547 2,550 1.515,551 2.1,552 2.447,553 -0.305,557 1,559 34.172,560 1.314,561 3.329,562 3.979,563 4.287,564 4.364,565 4.364,566 1.577,567 3.522,568 3.786,569 2.439,570 221.921,571 6.335,572 1691.56,574 1,577 122.211,578 1.264,579 3.757,580 0.125,582 0.077,583 0.06,584 0.042,585 0.02,586 0.016,590 0.341,591 1,592 1,593 0.544,594 50.769,595 -0.02,596 -0.042,597 0.063,598 0.031,599 -0.059,600 0.049,601 0.021,602 -0.081,603 0.101,604 0.03,605 0.047,606 0.065,607 -0.005,608 0.063,609 -0.056,610 -0.009,611 -0.065,612 -0.032,613 -0.323,614 -0.131,615 -0.392,616 -0.278,617 -0.325,618 -0.33,619 -0.022,620 -0.106,621 -0.091,622 -0.116,623 0.075,624 -0.11,625 0.051,626 -0.096,627 0.032,628 -0.037,629 0.044,630 -0.01,631 0.008,632 0.034,633 0.037,634 0.043,635 -0.145,636 0.043,637 0.574,638 0.644,639 1.157,640 1.045,641 0.829,642 1.131,643 0.569,644 1.452,645 0.929,646 5.735,647 0.985,648 1.118,649 1.937,650 3.751,651 0.685,652 2.833,653 3.178,654 3.526,655 3.85,656 4.078,657 4.094,658 4.143,659 4.19,660 3.85,661 3.611,662 3.26,663 0.641,664 184.26,665 2.833,666 4.369,667 5.252,668 6.155,669 7.059,670 7.969,671 8.879,672 9.792,673 10.704,674 11.617,675 7.7,683 1,684 1,687 2,688 4,690 1,693 2,695 10,698 1,714 26,716 11,717 1,718 16,720 28,721 12,722 8,723 2,724 4,725 1,730 3,731 6,736 1,740 1,743 1,745 9,746 3,750 1,758 1,759 1,761 1,764 12,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 2,819 1,823 1,827 14,833 2,854 6.667,855 5.033,856 3.028,857 1.65,858 2.47,859 1.396,860 1.063,861 1.586,862 8.712,863 3.135,864 3.812,865 4.501,866 5.168,867 5.715,868 6.065,869 6.442,870 6.801,871 6.66,872 6.715,873 0.5,874 22,875 5.169,876 0.002,877 2.209,878 7.417,879 10.251,880 0.001,881 8.741,883 1.917,884 26.833,885 0.012,888 129.482,889 64.787,890 33.571,895 64.787,896 129.482,897 33.571,898 8.825,899 4.64,900 37.905,901 2.757,902 39.33,903 4.901,904 129.482,906 129.482,907 98.358,911 105.94,912 23.542,915 47.036,916 51.321,919 129.482,920 33.571,921 64.787,924 129.482,925 18.056,926 46.73,927 16.786,928 16.786,929 129.482,930 33.571,931 64.787,933 0.584,934 0.359,935 0.21,936 0.117,937 14,938 5,941 2,942 1.308,943 2.654,944 97.563,945 0.308,946 13,947 53.303,951 7.952,952 2.792,953 1.08,954 2.589,955 16.786,956 8.471,958 3.435,961 2.672,963 16.786,964 227.84,965 22,973 4.452,974 1.141,975 25.622,976 29.073,977 0.28,978 0.708,979 0.847,980 0.912,981 0.928,982 0.928,983 4.363,984 -0.301,985 5.242,986 1.19,987 3.85,988 4.494,989 1.08,990 6.107,991 3.803,992 5.597,993 -0.701,994 6.828,995 -0.687,996 3.434,997 4.388,999 7.111,1000 3.374,1001 6.933,1002 -0.889,1003 8.521,1004 -1.78,1005 5.476,1006 6.823,1007 1.061,1008 10.276,1009 5.388,1010 8.313,1011 -1.176,1012 10.28,1013 -2.21,1014 5.943,1015 7.62,1017 12.155,1018 5.84,1019 9.73,1020 -1.377,1021 12.08,1022 -3.298,1023 7.447,1024 9.5,1025 1.043,1026 14.829,1027 7.321,1028 11.175,1029 -1.865,1030 13.908,1031 -3.576,1032 8.319,1033 10.709,1035 17.045,1036 8.177,1037 12.64,1038 -1.902,1039 15.756,1040 -5.268,1041 9.613,1042 12.371,1043 1.024,1044 19.558,1045 9.45,1046 3.247,1047 -2,1048 17.619,1049 -5.893,1050 10.662,1051 13.763,1053 21.905,1054 10.481,1055 2.5,1056 11.378,1057 19.493,1058 -6.21,1059 11.876,1060 15.339,1061 1.006,1062 24.363,1063 11.676,1064 1.902,1065 8.034,1066 21.376,1067 4.602,1068 12.999,1069 16.809,1071 26.761,1072 12.78,1073 1.571,1074 5.782,1075 23.266,1076 3.382,1077 14.186,1078 18.353,1079 0.988,1080 29.201,1081 13.947,1082 1.323,1083 3.955,1084 25.161,1085 2.608,1086 15.339,1087 19.856,1089 31.619,1090 15.082,1091 1.176,1092 3.054,1093 27.061,1094 2.289,1095 16.517,1096 21.388,1097 0.971,1098 34.053,1099 16.241,1100 0.492,1101 2.812,1102 28.964,1103 1.776,1104 17.684,1105 22.904,1107 36.479,1108 17.388,1109 1272,1110 1897,1111 11.038,1112 17.818,1113 24.74,1114 24.498,1115 25.163,1116 24.412,1117 24.421,1118 33.528,1119 1.972,1120 72.41,1121 23.818,1122 5.497,1123 5.391,1124 6.524,1125 5.264,1126 5.247,1127 7.602,1128 1.972,1129 18.662,1130 5.184,1131 3.955,1132 1.546,1133 1.531,1134 1.573,1135 1.526,1136 1.526,1137 2.096,1138 0.123,1139 4.526,1140 1.489,1141 4.157,1142 4.191,1143 4.119,1144 4.073,1145 4.99,1146 4.08,1147 3.664,1148 3.717,1149 3.573,1150 3.547,1151 4.583,1152 3.547,1153 3.229,1154 3.317,1155 3.095,1156 3.071,1157 4.137,1158 3.051,1159 3.209,1160 3.288,1161 3.029,1162 3.024,1163 3.824,1164 3.03,1165 2.894,1166 2.961,1167 2.74,1168 2.77,1169 3.643,1170 2.755,1171 2.528,1172 2.649,1173 2.266,1174 2.263,1175 3.279,1176 2.249,1177 2.319,1178 2.403,1179 2.149,1180 2.172,1181 3.001,1182 2.155,1183 2.077,1184 2.217,1185 1.809,1186 1.726,1187 2.732,1188 1.732,1189 0.292,1190 0.212,1191 0.428,1192 0.264,1193 0.203,1194 4.669,1195 0.288,1196 3.391,1197 0.062,1198 6.843,1199 0.711,1200 4.228,1201 0.199,1202 3.247,1203 4.602,1204 0.986,1205 11.378,1206 3.184,1207 1.945,1208 1.922,1209 2.045,1210 2.018,1211 1.259,1212 2.028,1213 1.791,1214 1.742,1215 1.933,1216 1.964,1217 1.066,1218 1.957,1219 1.258,1220 1.18,1221 1.599,1222 1.468,1223 0.737,1224 1.517,1225 1.142,1226 1.063,1227 1.366,1228 1.406,1229 0.466,1230 1.404,1231 0.939,1232 0.882,1233 1.161,1234 1.097,1235 0.293,1236 1.124,1237 0.7,1238 0.626,1239 1.013,1240 0.901,1241 0.102,1242 0.945,1243 0.448,1244 0.326,1245 0.86,1246 0.762,1247 0.009,1248 0.801,1251 0.43,1252 0.331,1254 0.376,1255 3.497,1257 4.828,1258 2.398,1259 6.382,1260 4.844,1261 8.034,1262 7.066,1263 9.735,1265 2.077,1271 1.997,1280 16.677,1281 34.172,1282 86.56,1283 103.457,1284 111.457,1285 113.457,1286 113.457,1287 11.61,1288 6.242,1289 28.15,1290 28.15,1291 17,1292 12.13,1293 3.585,1294 2.807,1295 18.019,1296 29,1297 19,1298 0.355,1299 102.65,1300 166.08,1301 242.226,1302 3352,1304 9.544,1305 0.682,1306 0.584,1307 9.544,1308 8.171,1309 6.86,1310 0.429,1311 0.311,1312 4.936,1313 6.727,1314 4.779,1315 3.954,1316 6.86,1317 4.971,1318 6.18,1319 0.269,1320 0.163,1321 6.18,1322 3.741,1323 5.57,1324 0.169,1325 0.087,1326 5.57,1327 2.886,1328 4.907,1329 0.107,1330 0.047,1331 4.907,1332 2.183,1333 4.077,1334 0.07,1335 0.026,1336 4.077,1337 1.521,1338 0.502,1339 42.023,1340 0.301,1341 13.6,1342 1.146,1343 78,1344 171.978,1345 81.775,1346 174.08,1347 252.77,1348 166,1349 95,1350 197.366,1351 99.191,1352 202.738,1353 300.43,1354 193,1355 5} {0 CHEMBL296161,1 1.437,2 7.842,3 1.665,4 2.771,5 78.287,6 7.093,7 0.714,8 3.692,9 3.838,10 3.237,11 3.177,12 4.762,13 3.16,14 4.211,15 4.427,16 3.545,17 3.576,18 5.152,19 3.536,20 4.344,21 4.555,22 3.445,23 3.698,24 5.218,25 3.588,26 4.509,27 4.785,28 3.388,29 3.69,30 5.295,31 3.545,32 4.406,33 4.698,34 3.306,35 3.527,36 5.189,37 3.396,38 4.158,39 4.397,40 3.253,41 3.401,42 5.056,43 3.311,44 4.203,45 4.473,46 3.029,47 3.302,48 5.076,49 3.16,50 4.063,51 4.395,52 2.543,53 2.98,54 4.779,55 2.781,56 0.049,57 0.589,58 7.975,59 2.816,60 9.207,61 4.223,62 0.202,63 0.898,64 14.689,65 4.474,66 13.444,67 6.914,68 0.096,69 0.97,70 16.403,71 6.305,72 13.636,73 9.286,74 0.137,75 1.01,76 20.752,77 7.345,78 20.624,79 11.234,80 0.207,81 0.897,82 19.168,83 6.139,84 19.707,85 9.61,86 0.112,87 0.781,88 14.136,89 4.392,90 13.428,91 6.948,92 0.219,93 0.751,94 15.382,95 4.549,96 18.998,97 7.203,98 0.151,99 0.556,100 14.166,101 3.93,102 17.594,103 6.54,104 8,105 29,106 0.261,107 0.639,108 0.776,109 0.8,110 0.8,111 0.8,112 3.011,113 0.905,114 -3.62,115 -3.59,116 -3.43,119 38.9,121 1,124 2,125 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 4,171 2,172 3,176 3,178 4,182 3,186 3,189 4,193 6,199 2,203 6,206 2,211 1,215 3,225 1,226 3,229 2,248 2,259 428,260 12.93,261 12.93,262 12.93,263 12.93,264 12.93,265 11.243,266 13.066,267 7.716,268 13.27,269 10.386,270 10.386,271 10.386,272 10.386,273 10.386,274 7.847,275 11.296,276 3.686,277 10.922,278 3.733,279 1.652,280 0.896,281 0.764,282 0.764,283 0.764,284 3.689,287 1,288 1,289 1,290 319,291 2.739,294 86.118,295 44.441,298 70.568,302 1.324,303 6.711,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 40.5,315 149,316 4.569,317 3.199,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.432,324 3.062,325 4.129,326 2.889,327 6.095,328 3.69,329 2.753,330 3.732,332 8.885,333 2.578,334 3.452,335 2.57,336 5.144,337 3.176,338 2.244,339 2.815,341 6.078,342 2.098,343 3.262,344 2.122,345 4.625,346 2.907,347 1.948,348 2.595,350 5.024,351 1.855,352 3.144,353 1.792,354 4.511,355 2.723,356 1.768,357 2.182,359 4.653,360 1.683,361 2.725,362 1.31,363 4.107,364 2.243,365 1.267,366 1.825,368 3.398,369 1.235,370 2.4,371 1.013,372 3.347,373 1.916,374 0.956,375 1.356,377 2.182,378 0.915,379 2.132,380 0.782,381 3.218,382 1.689,383 0.732,384 0.991,386 1.724,387 0.698,388 2.118,389 0.618,390 3,391 1.518,392 0.618,393 0.927,395 1.372,396 0.556,397 1.569,398 0.415,399 2.874,400 1.32,401 0.351,402 0.424,404 0.823,405 0.339,406 0.845,407 -0.332,408 2.435,409 0.433,410 -0.527,411 -0.671,413 -1.34,414 -0.503,415 0.625,416 -0.6,417 2.119,418 0.162,419 -0.83,420 -1,422 -2,423 -0.821,424 0.182,425 -0.715,426 2,427 -0.1,428 -1,429 -1.115,431 -2.567,432 -0.9,433 0.026,434 -0.936,435 1.84,436 -0.116,437 -1.069,438 -1.382,440 -2.92,441 -1.017,443 -1.288,444 1.466,445 -0.436,446 -1.386,447 -1.731,449 -3.218,450 -1.313,451 9,452 0.474,453 0.435,454 0.023,455 25,456 1.316,457 12,458 0.632,459 13,460 0.684,461 12.796,462 0.673,463 20.4,464 0.567,465 15.582,466 0.82,467 5.118,468 0.269,469 4.119,470 0.217,471 0.111,473 0.311,479 0.893,480 1.525,481 0.819,482 1.187,483 0.715,484 1.024,485 1.276,486 0.817,487 0.902,488 0.699,489 0.776,490 0.742,491 0.825,492 1.174,493 1.118,494 1.271,495 0.852,496 1.24,497 0.638,498 1.035,499 0.874,500 1.063,501 0.705,502 1.01,503 0.723,504 0.875,505 0.804,506 0.878,507 0.796,508 0.856,509 1.129,510 1.256,511 1.046,512 1.13,513 0.93,514 1.085,515 1.087,516 1.045,517 1.237,518 1.191,519 1.165,520 1.227,521 1.044,522 0.912,523 0.975,524 0.91,525 1.268,526 0.929,527 3.5,528 0.04,529 2.222,530 0.757,531 0.703,532 0.58,533 0.374,534 0.107,535 0.121,536 0.055,537 3257,538 7758,539 2.113,540 47.2,542 11,543 1,544 2,545 1,547 2,550 1.604,551 2,552 2.998,553 -0.249,555 1,557 1,559 51.718,560 1.437,561 3.518,562 4.274,563 4.406,564 4.406,565 4.406,566 2.465,567 3.722,568 4.216,569 3.133,570 535.704,571 7.187,572 5224.68,573 1,574 1,576 1,577 186.117,578 1.324,579 4.189,580 0.167,581 0.01,582 0.077,583 0.03,584 0.031,585 0.028,586 0.019,587 0.008,588 0.015,589 0.009,590 0.392,591 0.67,592 1,593 1.236,594 81.996,595 0.118,596 -0.282,597 0.086,598 -0.136,599 0.166,600 -0.047,601 -0.1,602 0.325,603 0.059,604 0.275,605 0.069,606 0.202,607 -0.121,608 -0.114,609 -0.215,610 -0.198,611 -0.126,612 -0.216,613 0.057,614 -0.131,615 0.077,616 -0.033,617 0.096,618 0.016,619 0.161,620 0.022,621 0.18,622 0.099,623 0.129,624 0.135,625 -0.131,626 -0.222,627 -0.09,628 -0.148,629 -0.023,630 -0.119,631 0.028,632 -0.063,633 -0.254,634 -0.264,635 -0.124,636 -0.291,637 -0.057,638 -0.104,639 0.045,640 0.004,641 -0.12,642 0.033,643 0.58,644 0.847,645 0.737,646 13.978,647 0.995,648 1.138,649 2.394,650 5.733,651 0.655,652 3.091,653 3.401,654 3.664,655 3.932,656 4.078,657 4.22,658 4.344,659 4.443,660 4.357,661 4.263,662 4.872,663 0.619,664 255.36,665 3.091,666 4.615,667 5.46,668 6.333,669 7.203,670 8.085,671 8.965,672 9.852,673 10.738,674 11.627,675 13.9,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 36,716 15,717 1,718 21,720 38,721 14,722 10,723 3,724 3,730 3,731 4,743 1,745 10,746 4,761 1,764 17,765 3,766 1,767 5,773 5,777 0.667,788 1,792 2,793 1,796 1,815 1,819 2,823 2,827 19,833 2,838 1,844 1,854 9.5,855 7.05,856 4.167,857 2.03,858 2.834,859 1.428,860 1.004,861 3.257,862 9.45,863 3.384,864 4.016,865 4.663,866 5.307,867 5.75,868 6.206,869 6.682,870 7.119,871 7.284,872 7.483,873 1,874 25,875 6.964,877 2.852,878 7.509,879 13.59,881 10.95,883 2.009,884 38.167,885 0.002,888 188.338,889 86.806,890 55.135,895 86.806,896 188.338,897 55.135,898 16.793,899 4.64,900 37.476,901 74.105,902 30.324,903 13.915,904 153.024,906 188.338,907 141.941,911 164.795,912 23.542,915 43.686,916 64.928,917 33.326,919 188.338,920 55.135,921 86.806,924 188.338,925 15.3,926 76.53,927 16.786,928 33.326,929 188.338,930 55.135,931 86.806,933 0.577,934 0.322,935 0.174,936 0.09,937 15,938 6,939 0.105,940 4,941 1,942 1.143,943 3.207,944 139.747,945 0.143,946 14,947 72.711,951 12.24,952 5.056,953 2.491,954 2.443,955 36.45,956 11.882,957 7.693,958 3.325,961 2.432,962 1.919,963 16.786,964 330.278,965 28.5,975 35.811,976 40.983,977 0.278,978 0.68,979 0.827,980 0.852,981 0.852,982 0.852,983 4.593,984 0.732,985 5.434,986 2.182,987 4.078,988 4.7,989 0.673,990 6.229,991 3.989,992 5.801,993 0.618,994 6.978,995 1.724,996 3.611,997 4.477,998 0.325,999 7.111,1000 3.483,1001 7.104,1002 0.351,1003 8.625,1004 1.372,1005 5.645,1006 6.968,1007 0.379,1008 10.205,1009 5.485,1010 8.452,1011 -0.527,1012 10.334,1013 0.823,1014 6.043,1015 7.684,1016 0.268,1017 11.958,1018 5.852,1019 9.837,1020 -0.83,1021 12.085,1022 -1.34,1023 7.515,1024 9.571,1025 0.239,1026 14.549,1027 7.301,1028 11.249,1029 -1,1030 13.864,1031 -2,1032 8.302,1033 10.715,1034 0.188,1035 16.642,1036 8.068,1037 12.682,1038 -1.069,1039 15.664,1040 -2.567,1041 9.557,1042 12.365,1043 0.156,1044 19.063,1045 9.304,1046 3.119,1047 -1.386,1048 17.48,1049 -2.92,1050 10.525,1051 13.706,1052 0.125,1053 21.294,1054 10.258,1055 2.753,1056 10.432,1057 19.306,1058 -3.218,1059 11.694,1060 15.261,1061 0.102,1062 23.655,1063 11.411,1064 2.244,1065 8.885,1066 21.142,1067 4.518,1068 12.746,1069 16.69,1070 0.082,1071 25.943,1072 12.449,1073 1.948,1074 6.078,1075 22.984,1076 3.732,1077 13.883,1078 18.21,1079 0.066,1080 28.284,1081 13.572,1082 1.768,1083 5.024,1084 24.831,1085 2.815,1086 14.973,1087 19.679,1088 0.054,1089 30.597,1090 14.65,1091 1.267,1092 4.653,1093 26.683,1094 2.595,1095 16.1,1096 21.186,1097 0.043,1098 32.932,1099 15.763,1100 0.956,1101 3.398,1102 28.538,1103 2.182,1104 17.208,1105 22.674,1106 0.035,1107 35.258,1108 16.859,1109 3205,1110 5068,1111 14.216,1112 23.597,1113 31.859,1114 31.248,1115 31.738,1116 31.513,1117 31.512,1118 42.728,1119 1.6,1120 89.142,1121 30.041,1122 5.4,1123 5.199,1124 6.163,1125 5.159,1126 5.119,1127 7.518,1128 1.2,1129 17.102,1130 5.062,1131 7.683,1132 1.517,1133 1.488,1134 1.511,1135 1.501,1136 1.501,1137 2.035,1138 0.076,1139 4.245,1140 1.431,1141 4.15,1142 4.188,1143 4.111,1144 4.058,1145 5.134,1146 4.067,1147 3.829,1148 3.905,1149 3.788,1150 3.588,1151 4.927,1152 3.626,1153 3.641,1154 3.73,1155 3.497,1156 3.419,1157 4.329,1158 3.43,1159 3.333,1160 3.398,1161 3.225,1162 3.171,1163 4.236,1164 3.175,1165 3.107,1166 3.205,1167 2.933,1168 2.889,1169 3.812,1170 2.888,1171 2.874,1172 3.009,1173 2.675,1174 2.724,1175 3.525,1176 2.704,1177 2.854,1178 2.925,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.419,1184 2.525,1185 2.304,1186 2.252,1187 3.413,1188 2.246,1189 0.218,1190 0.152,1191 0.313,1192 0.195,1193 0.149,1194 4.569,1195 0.215,1196 3.199,1197 0.038,1198 6.566,1199 0.497,1200 4.1,1201 0.146,1202 3.119,1203 4.518,1204 0.8,1205 10.432,1206 3.062,1207 1.959,1208 1.935,1209 2.04,1210 2.052,1211 1.26,1212 2.05,1213 1.689,1214 1.625,1215 1.904,1216 1.903,1217 1.089,1218 1.91,1219 1.453,1220 1.371,1221 1.692,1222 1.708,1223 0.787,1224 1.701,1225 1.379,1226 1.311,1227 1.521,1228 1.606,1229 0.583,1230 1.595,1231 1.078,1232 0.982,1233 1.417,1234 1.442,1235 0.483,1236 1.379,1237 1.051,1238 0.955,1239 1.365,1240 1.308,1241 0.469,1242 1.339,1243 0.934,1244 0.804,1245 1.219,1246 1.239,1247 0.183,1248 1.308,1249 0.852,1250 0.786,1251 1.115,1252 1.035,1253 0.079,1254 1.069,1255 3.761,1257 5.069,1258 3.045,1259 6.555,1260 5.283,1261 8.131,1262 7.286,1263 9.762,1265 4.189,1271 2.086,1276 2.197,1280 22.268,1281 51.718,1282 126.633,1283 153.853,1284 158.608,1285 158.608,1286 158.608,1287 18.408,1288 6.616,1289 49.74,1290 49.74,1291 16,1292 12.158,1293 4,1294 3.087,1295 27.781,1296 54,1297 54,1298 0.257,1299 139.29,1300 220.14,1301 331.628,1302 5589,1304 13.242,1305 0.697,1306 0.588,1307 13.242,1308 11.167,1309 9.237,1310 0.44,1311 0.302,1312 6.222,1313 8.81,1314 6.002,1315 5.053,1316 9.237,1317 6.336,1318 8.35,1319 0.288,1320 0.171,1321 8.35,1322 4.966,1323 6.784,1324 0.179,1325 0.087,1326 6.784,1327 3.296,1328 5.643,1329 0.113,1330 0.044,1331 5.643,1332 2.212,1333 4.179,1334 0.072,1335 0.025,1336 4.179,1337 1.46,1338 0.392,1339 58.234,1340 0.265,1341 18.91,1342 0.733,1343 100,1344 260.913,1345 108.437,1346 259.529,1347 363.38,1348 244,1349 117,1350 278.659,1351 126.797,1352 286.997,1353 410.82,1354 266,1355 9.398} {0 CHEMBL297471,1 1.192,2 8.05,3 4.38,4 19.182,5 86.648,6 5.88,7 0.455,8 3.88,9 4.029,10 3.259,11 3.43,12 4.727,13 3.353,14 4.487,15 4.71,16 3.633,17 3.877,18 5.229,19 3.772,20 4.756,21 5,22 3.561,23 4.037,24 5.481,25 3.863,26 4.888,27 5.197,28 3.422,29 3.997,30 5.507,31 3.777,32 4.72,33 5.031,34 3.318,35 3.832,36 5.314,37 3.624,38 4.5,39 4.765,40 3.375,41 3.74,42 5.195,43 3.582,44 4.53,45 4.783,46 3.131,47 3.706,48 5.249,49 3.508,50 4.576,51 4.929,52 2.801,53 3.508,54 5.073,55 3.238,56 0.062,57 0.656,58 11.606,59 4.616,60 7.565,61 6.855,62 0.134,63 1.106,64 20.685,65 7.82,66 12.646,67 11.811,68 0.152,69 1.354,70 26.329,71 10.568,72 19.658,73 15.625,74 0.161,75 1.387,76 28.646,77 11.58,78 21.716,79 17.097,80 0.166,81 1.179,82 24.287,83 9.718,84 16.54,85 14.336,86 0.118,87 1.03,88 20.188,89 7.787,90 14.176,91 11.702,92 0.167,93 1.067,94 21.203,95 7.314,96 16.803,97 11.425,98 0.133,99 0.935,100 20.371,101 7.722,102 14.14,103 11.67,104 11,105 32,106 0.208,107 0.515,108 0.708,109 0.747,110 0.747,111 0.747,112 3.058,113 1.073,114 -4.51,115 -4.43,116 -4.17,119 39.1,120 3,121 3,123 1,125 3,140 3,141 3,149 1,150 1,169 11,172 3,176 3,178 14,182 1,186 3,189 13,193 1,197 1,199 12,203 1,206 1,208 1,211 7,215 2,220 3,222 5,226 2,231 2,233 2,237 3,244 4,256 4,259 490,260 13.195,261 13.195,262 13.195,263 13.195,264 13.195,265 12.104,266 15.967,267 7.65,268 13.366,269 10.872,270 10.872,271 10.872,272 10.872,273 10.872,274 9.152,275 15.714,276 3.644,277 11.145,278 4.332,279 2.576,280 1.468,281 1.245,282 1.245,283 1.245,284 3.732,288 1,289 1,290 344,291 3.24,294 95.756,295 49.382,298 77.104,302 1.355,303 6.854,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 41,315 161,316 4.607,317 3.552,318 7.123,319 4.34,320 3.341,321 4.517,322 0.8,323 11.737,324 3.337,325 4.302,326 3.117,327 6.517,328 4.001,329 3.014,330 3.585,332 10.222,333 2.975,334 3.561,335 2.834,336 5.369,337 3.467,338 2.537,339 2.746,341 7.029,342 2.36,343 3.36,344 2.17,345 5.111,346 3,347 2.01,348 2.506,350 5.974,351 1.987,352 3.035,353 1.652,354 4.64,355 2.624,356 1.644,357 2.213,359 4.853,360 1.61,361 2.682,362 1.397,363 4.13,364 2.328,365 1.341,366 1.754,368 3.407,369 1.322,370 2.341,371 1.23,372 3.521,373 2.155,374 1.176,375 1.328,377 2.743,378 1.149,379 2.115,380 0.844,381 3.271,382 1.724,383 0.765,384 0.998,386 1.798,387 0.732,388 1.618,389 0.744,390 3,391 1.591,392 0.618,393 0.618,395 1.372,396 0.6,397 1.517,398 0.408,399 2.929,400 1.315,401 0.34,402 0.395,404 0.821,405 0.331,406 0.819,407 -0.296,408 2.794,409 0.45,410 -0.521,411 -0.637,413 -1.363,414 -0.504,415 0.627,416 -0.689,417 2.244,418 0.173,419 -0.819,420 -1,422 -2.461,423 -0.811,424 0.194,425 -0.925,426 2.077,428 -1,429 -1,431 -2.734,432 -0.997,434 -1,435 2,437 -1,438 -1.061,440 -3,441 -1,443 -1,444 2,445 -0.058,446 -1.028,447 -1.328,449 -3,450 -1,451 9.8,452 0.49,453 0.634,454 0.032,455 20.25,456 1.013,457 8,458 0.4,459 12.25,460 0.613,461 20.353,462 1.018,463 22.6,464 0.491,465 11.207,466 0.56,467 3.341,468 0.167,469 6.197,470 0.31,471 0.153,472 0.051,473 0.245,479 1.126,480 1.378,481 1.057,482 1.189,483 1.246,484 1.131,485 1.405,486 1.028,487 0.976,488 0.923,489 0.721,490 0.924,491 1.153,492 1.214,493 1.24,494 1.244,495 1.102,496 1.247,497 0.746,498 0.953,499 0.924,500 0.968,501 1.065,502 0.959,503 0.679,504 0.888,505 0.863,506 0.906,507 0.894,508 0.897,509 0.946,510 1.181,511 0.966,512 1.066,513 0.825,514 1.026,515 2.126,516 1.351,517 1.558,518 1.365,519 2.084,520 1.417,521 0.888,522 0.803,523 0.818,524 0.798,525 0.842,526 0.803,527 5,528 0.06,529 2.667,530 1.201,531 0.858,532 0.784,533 0.42,534 0.138,535 0.164,536 0.102,537 3798,538 5856,539 2.065,540 56.5,541 9,542 9,543 1,545 1,547 6,550 1.617,551 1.92,552 3.012,553 -0.419,555 1,559 54.814,560 1.192,561 2.947,562 4.055,563 4.278,564 4.278,565 4.278,566 2.466,567 3.884,568 4.294,569 3.19,570 606.074,571 7.332,572 6195.48,574 1,576 1,577 254.084,578 1.601,579 4.237,580 0.227,581 0.01,582 0.083,583 0.044,584 0.037,585 0.037,586 0.018,587 0.009,588 0.015,589 0.01,590 0.492,591 0.67,592 1,593 0.843,594 88.341,595 0.076,596 -0.107,597 0.069,598 -0.011,599 -0.083,600 0.021,601 -0.048,602 0.128,603 0.1,604 0.139,605 0.248,606 0.13,607 -0.161,608 -0.139,609 -0.22,610 -0.194,611 -0.065,612 -0.207,613 0.028,614 -0.02,615 0.026,616 0.005,617 -0.039,618 0.014,619 0.174,620 0.049,621 0.093,622 0.059,623 0.024,624 0.069,625 0.094,626 -0.145,627 0.044,628 -0.05,629 0.178,630 -0.014,631 -0.437,632 -0.239,633 -0.499,634 -0.393,635 -0.655,636 -0.44,637 0.045,638 0.055,639 0.104,640 0.093,641 0.045,642 0.1,643 1.03,644 0.924,645 0.7,646 14.5,647 0.974,648 1.13,649 3.276,650 10.734,651 0.634,652 3.135,653 3.497,654 3.714,655 3.932,656 4.06,657 4.22,658 4.304,659 4.344,660 4.304,661 4.22,662 5.111,663 0.573,664 270.46,665 3.135,666 4.691,667 5.533,668 6.422,669 7.286,670 8.176,671 9.049,672 9.942,673 10.82,674 11.714,675 4.3,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 46,716 10,717 1,718 22,720 48,721 18,722 8,723 3,724 3,730 3,731 4,736 3,737 1,740 2,743 3,745 8,746 10,761 1,764 26,765 1,766 1,767 2,773 2,777 0.667,788 1,789 1,792 2,793 1,796 1,815 1,819 2,823 3,827 20,833 6,838 1,839 1,854 10.417,855 9.033,856 4.222,857 3.036,858 2.077,859 1.311,860 0.967,861 3.7,862 8.752,863 3.332,864 3.937,865 4.518,866 5.107,867 5.597,868 5.99,869 6.356,870 6.64,871 6.522,872 6.505,873 1,874 27,875 7.443,877 3.1,878 7.271,879 15.181,881 12.997,883 1.771,884 35.417,885 0.004,888 294.278,889 88.961,890 19.91,895 88.961,896 294.278,897 19.91,898 26.476,899 13.921,900 37.476,902 28.854,903 13.915,904 282.506,906 294.278,907 108.871,911 223.651,912 70.627,915 60.306,916 48.564,919 294.278,920 19.91,921 88.961,924 294.278,925 25.009,926 67.076,927 16.786,929 294.278,930 19.91,931 88.961,933 0.597,934 0.33,935 0.163,936 0.078,937 17,938 7,939 0.083,940 4,941 1,942 1.143,943 3.259,944 150.476,945 0.143,946 14,947 77.684,951 13.847,952 5.344,953 2.994,954 2.686,955 3.124,956 9.066,958 3.424,961 2.894,963 16.786,964 403.148,965 27,975 44.807,976 51.979,977 0.216,978 0.534,979 0.734,980 0.775,981 0.775,982 0.775,983 4.6,984 0.765,985 5.572,986 2.743,987 4.174,988 4.62,989 0.673,990 6.428,991 4.132,992 5.822,993 0.618,994 7.171,995 1.798,996 4.007,997 4.59,998 0.325,999 7.662,1000 3.966,1001 7.157,1002 0.34,1003 8.886,1004 1.372,1005 5.878,1006 6.865,1007 0.379,1008 10.644,1009 5.809,1010 8.532,1011 -0.521,1012 10.672,1013 0.821,1014 6.524,1015 7.683,1016 0.268,1017 12.665,1018 6.465,1019 9.943,1020 -0.819,1021 12.504,1022 -1.363,1023 7.925,1024 9.484,1025 0.239,1026 15.257,1027 7.85,1028 11.378,1029 -1,1030 14.366,1031 -2.461,1032 8.891,1033 10.677,1034 0.188,1035 17.546,1036 8.827,1037 12.83,1038 -1,1039 16.248,1040 -2.734,1041 10.139,1042 12.298,1043 0.156,1044 20.029,1045 10.068,1046 3.341,1047 -1.028,1048 18.147,1049 -3,1050 11.233,1051 13.661,1052 0.125,1053 22.413,1054 11.169,1055 3.014,1056 11.737,1057 20.056,1058 -3,1059 12.433,1060 15.209,1061 0.102,1062 24.866,1063 12.367,1064 2.537,1065 10.222,1066 21.975,1067 4.517,1068 13.579,1069 16.649,1070 0.082,1071 27.287,1072 13.518,1073 2.01,1074 7.029,1075 23.9,1076 3.585,1077 14.765,1078 18.169,1079 0.066,1080 29.733,1081 14.704,1082 1.644,1083 5.974,1084 25.83,1085 2.746,1086 15.934,1087 19.644,1088 0.054,1089 32.169,1090 15.876,1091 1.341,1092 4.853,1093 27.764,1094 2.506,1095 17.119,1096 21.153,1097 0.043,1098 34.616,1099 17.062,1100 1.176,1101 3.407,1102 29.703,1103 2.213,1104 18.3,1105 22.645,1106 0.035,1107 37.06,1108 18.245,1109 3717,1110 4694,1111 14.504,1112 29.148,1113 33.727,1114 33.569,1115 33.041,1116 33.546,1117 33.573,1118 41.319,1119 1.6,1120 99.914,1121 32.807,1122 5.557,1123 5.552,1124 6.753,1125 5.379,1126 5.341,1127 7.517,1128 1.2,1129 18.778,1130 5.337,1131 9.274,1132 1.533,1133 1.526,1134 1.502,1135 1.525,1136 1.526,1137 1.878,1138 0.073,1139 4.542,1140 1.491,1141 4.145,1142 4.179,1143 4.101,1144 4.07,1145 4.962,1146 4.074,1147 3.845,1148 3.915,1149 3.715,1150 3.686,1151 4.408,1152 3.683,1153 3.722,1154 3.779,1155 3.602,1156 3.611,1157 4.334,1158 3.602,1159 3.389,1160 3.458,1161 3.225,1162 3.271,1163 4.055,1164 3.252,1165 3.174,1166 3.258,1167 3.008,1168 2.986,1169 3.825,1170 2.98,1171 2.89,1172 3.009,1173 2.752,1174 2.754,1175 3.592,1176 2.745,1177 2.874,1178 3.009,1179 2.583,1180 2.671,1181 3.467,1182 2.635,1183 2.874,1184 2.979,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.209,1190 0.161,1191 0.324,1192 0.197,1193 0.152,1194 4.607,1195 0.205,1196 3.552,1197 0.036,1198 7.123,1199 0.534,1200 4.34,1201 0.152,1202 3.341,1203 4.517,1204 0.8,1205 11.737,1206 3.337,1207 1.99,1208 1.967,1209 2.1,1210 2.064,1211 1.328,1212 2.077,1213 1.698,1214 1.643,1215 1.907,1216 1.881,1217 1.211,1218 1.891,1219 1.612,1220 1.551,1221 1.86,1222 1.793,1223 1.203,1224 1.811,1225 1.577,1226 1.507,1227 1.824,1228 1.751,1229 0.994,1230 1.793,1231 1.424,1232 1.35,1233 1.639,1234 1.646,1235 0.861,1236 1.651,1237 1.076,1238 0.987,1239 1.417,1240 1.324,1241 0.524,1242 1.357,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.391,1252 1.239,1253 0.469,1254 1.308,1255 3.807,1257 5.153,1258 3.045,1259 6.671,1260 5.283,1261 8.267,1262 7.273,1263 9.909,1265 6.847,1271 7.69,1276 2.59,1277 0.22,1280 26.364,1281 54.814,1282 135.581,1283 186.535,1284 196.8,1285 196.8,1286 196.8,1287 24.719,1288 6.676,1289 19.03,1290 19.03,1291 16,1292 12.244,1293 3.459,1294 2.585,1295 29.982,1296 60,1297 55,1298 0.247,1299 163.131,1300 272.52,1301 389.801,1302 6224,1304 14.165,1305 0.708,1306 0.65,1307 14.165,1308 12.999,1309 9.538,1310 0.434,1311 0.358,1312 7.818,1313 9.365,1314 7.463,1315 6.266,1316 9.538,1317 7.868,1318 9.365,1319 0.293,1320 0.223,1321 9.365,1322 7.123,1323 7.207,1324 0.18,1325 0.113,1326 7.207,1327 4.53,1328 5.74,1329 0.115,1330 0.063,1331 5.74,1332 3.137,1333 4.08,1334 0.072,1335 0.033,1336 4.08,1337 1.894,1338 0.38,1339 58.293,1340 0.263,1341 19.86,1342 0.696,1343 108,1344 189.978,1345 111.802,1346 194.512,1347 278.86,1348 184,1349 126,1350 215.085,1351 130.496,1352 225.555,1353 327.97,1354 211,1355 8.602} {0 CHEMBL297660,1 1.205,2 7.947,3 4.174,4 17.418,5 82.173,6 5.963,7 0.476,8 3.819,9 3.966,10 3.213,11 3.371,12 4.666,13 3.298,14 4.421,15 4.641,16 3.55,17 3.804,18 5.165,19 3.695,20 4.676,21 4.938,22 3.47,23 3.924,24 5.364,25 3.751,26 4.708,27 4.998,28 3.333,29 3.868,30 5.352,31 3.664,32 4.615,33 4.925,34 3.224,35 3.726,36 5.206,37 3.521,38 4.401,39 4.667,40 3.251,41 3.631,42 5.087,43 3.47,44 4.425,45 4.689,46 3.038,47 3.587,48 5.119,49 3.391,50 4.425,51 4.77,52 2.701,53 3.39,54 4.937,55 3.132,56 0.058,57 0.618,58 10.794,59 4.274,60 6.679,61 6.345,62 0.128,63 1.036,64 19.304,65 7.216,66 11.376,67 10.92,68 0.147,69 1.227,70 24.109,71 9.499,72 16.745,73 14.117,74 0.139,75 1.199,76 24.346,77 9.778,78 17.759,79 14.452,80 0.156,81 1.068,82 22.033,83 8.719,84 14.409,85 12.896,86 0.111,87 0.931,88 18.279,89 6.98,90 12.389,91 10.507,92 0.145,93 0.949,94 18.932,95 6.622,96 14.215,97 10.268,98 0.122,99 0.82,100 17.809,101 6.684,102 12.212,103 10.116,104 6,105 29,106 0.213,107 0.532,108 0.748,109 0.79,110 0.79,111 0.79,112 3.01,113 1.08,114 -4.27,115 -4.21,116 -3.97,119 39.5,120 2,121 3,122 1,125 3,140 3,141 3,149 1,150 1,169 10,172 3,176 3,178 11,182 1,186 3,189 11,193 1,197 1,199 10,203 1,206 1,208 1,211 6,215 2,220 2,222 4,226 2,231 2,233 2,237 2,244 4,256 4,259 422,260 12.93,261 12.93,262 12.93,263 12.93,264 12.93,265 11.825,266 14.755,267 7.652,268 13.101,269 10.366,270 10.366,271 10.366,272 10.366,273 10.366,274 8.616,275 12.773,276 3.63,277 10.639,278 4.222,279 2.424,280 1.204,281 0.965,282 0.965,283 0.965,284 3.688,288 1,289 1,290 325,291 2.739,294 89.289,295 46.268,298 71.949,302 1.324,303 6.126,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 39,315 151,316 4.558,317 3.208,318 6.559,319 4.098,320 3.109,321 4.507,322 0.8,323 10.398,324 3.074,325 3.871,326 2.899,327 5.87,328 3.619,329 2.627,330 3.251,332 8.002,333 2.611,334 3.552,335 2.802,336 5.367,337 3.458,338 2.524,339 2.712,341 7.021,342 2.353,343 3.332,344 2.133,345 5.101,346 2.956,347 1.971,348 2.504,350 5.92,351 1.939,352 2.78,353 1.417,354 4.2,355 2.368,356 1.392,357 1.891,359 3.664,360 1.357,361 2.501,362 1.364,363 3.773,364 2.298,365 1.314,366 1.502,368 2.919,369 1.292,370 2.316,371 1.177,372 3.516,373 2.117,374 1.128,375 1.303,377 2.681,378 1.114,379 2.076,380 0.814,381 3.238,382 1.705,383 0.744,384 0.955,386 1.741,387 0.713,388 1.618,389 0.744,390 3,391 1.591,392 0.618,393 0.618,395 1.372,396 0.6,397 1.511,398 0.397,399 2.906,400 1.308,401 0.333,402 0.388,404 0.8,405 0.324,406 0.804,407 -0.312,408 2.332,409 0.442,410 -0.53,411 -0.645,413 -1.346,414 -0.513,415 0.627,416 -0.697,417 2.159,418 0.173,419 -0.819,420 -1,422 -2,423 -0.812,424 0.193,425 -0.926,426 2,428 -1,429 -1.06,431 -2.446,432 -0.997,434 -1,435 1.857,436 -0.057,437 -1.028,438 -1.328,440 -2.733,441 -1,442 -0.146,443 -1.283,444 1.399,445 -0.461,446 -1.438,447 -1.602,449 -3.677,450 -1.395,451 9.3,452 0.489,453 0.435,454 0.023,455 19.75,456 1.039,457 8,458 0.421,459 11.75,460 0.618,461 17.665,462 0.93,463 21.3,464 0.495,465 10.642,466 0.56,467 3.356,468 0.177,469 5.881,470 0.31,471 0.108,473 0.312,479 1.121,480 1.371,481 1.035,482 1.172,483 1.122,484 1.111,485 1.442,486 1.089,487 1.038,488 0.987,489 0.855,490 0.987,491 1.115,492 1.079,493 1.109,494 1.094,495 0.93,496 1.1,497 0.828,498 1.041,499 1.009,500 1.057,501 1.146,502 1.046,503 0.692,504 0.889,505 0.864,506 0.907,507 0.881,508 0.898,509 1.023,510 1.164,511 1.002,512 1.072,513 0.943,514 1.042,515 1.846,516 1.269,517 1.417,518 1.271,519 1.876,520 1.309,521 1.007,522 0.785,523 0.872,524 0.807,525 0.944,526 0.827,527 3.5,528 0.04,529 2.222,530 0.951,531 0.738,532 0.555,533 0.323,534 0.107,535 0.115,536 0.062,537 3389,538 5339,539 2.113,540 55.8,541 7,542 9,543 1,545 1,547 6,550 1.601,551 2,552 3.017,553 -0.404,555 1,559 51.803,560 1.205,561 3.003,562 4.222,563 4.461,564 4.461,565 4.461,566 2.484,567 3.616,568 4.219,569 3.166,570 541.326,571 7.179,572 5334.27,574 1,576 1,577 233.329,578 1.324,579 4.189,580 0.167,581 0.01,582 0.077,583 0.038,584 0.035,585 0.029,586 0.016,587 0.008,588 0.011,589 0.008,590 0.399,591 0.67,592 1,593 0.789,594 82.447,595 0.072,596 -0.112,597 0.071,598 -0.012,599 0.012,600 0.022,601 -0.085,602 0.061,603 0.027,604 0.063,605 0.126,606 0.053,607 -0.112,608 -0.043,609 -0.108,610 -0.078,611 0.047,612 -0.09,613 -0.012,614 -0.077,615 -0.045,616 -0.066,617 -0.095,618 -0.059,619 0.179,620 0.043,621 0.092,622 0.054,623 0.036,624 0.065,625 0.039,626 -0.137,627 0.001,628 -0.069,629 0.083,630 -0.042,631 -0.332,632 -0.198,633 -0.386,634 -0.311,635 -0.53,636 -0.344,637 -0.024,638 0.09,639 0.063,640 0.091,641 -0.018,642 0.084,643 0.731,644 0.911,645 0.737,646 13.612,647 0.975,648 1.129,649 3.039,650 9.234,651 0.637,652 3.091,653 3.401,654 3.664,655 3.892,656 4.007,657 4.127,658 4.205,659 4.263,660 4.19,661 4.111,662 4.995,663 0.578,664 256.43,665 3.091,666 4.615,667 5.46,668 6.326,669 7.191,670 8.064,671 8.936,672 9.813,673 10.69,674 11.57,675 4.7,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 43,716 10,717 1,718 21,720 45,721 17,722 8,723 3,724 3,730 3,731 4,736 2,740 2,743 3,745 8,746 9,747 1,761 1,764 24,765 1,766 1,767 2,773 2,777 0.667,788 1,789 1,792 2,793 1,796 1,815 1,819 2,823 2,827 19,833 6,837 1,838 1,854 9.5,855 8.117,856 4.167,857 2.974,858 2.075,859 1.316,860 0.988,861 3.718,862 8.651,863 3.296,864 3.876,865 4.484,866 5.079,867 5.558,868 5.916,869 6.268,870 6.563,871 6.383,872 6.363,873 1,874 25,875 7.071,877 2.934,878 7.263,879 14.446,881 12.302,883 1.763,884 33.5,885 0.005,888 270.735,889 80.136,890 19.91,895 80.136,896 270.735,897 19.91,898 17.65,899 13.921,900 37.476,902 28.854,903 13.915,904 258.964,906 270.735,907 100.045,911 200.109,912 70.627,915 51.481,916 48.564,919 270.735,920 19.91,921 80.136,924 270.735,925 25.009,926 58.251,927 16.786,929 270.735,930 19.91,931 80.136,933 0.581,934 0.336,935 0.173,936 0.083,937 15,938 6,939 0.089,940 4,941 1,942 1.143,943 3.232,944 138.343,945 0.143,946 14,947 74.711,951 12.894,952 5.478,953 2.749,954 2.7,955 3.124,956 9.04,958 3.411,961 2.916,963 16.786,964 370.781,965 26,975 41.923,976 48.564,977 0.222,978 0.553,979 0.778,980 0.822,981 0.822,982 0.822,983 4.527,984 0.744,985 5.434,986 2.681,987 4.078,988 4.559,989 0.673,990 6.221,991 4.03,992 5.706,993 0.618,994 6.978,995 1.741,996 3.611,997 4.388,998 0.325,999 7.086,1000 3.549,1001 7.003,1002 0.333,1003 8.624,1004 1.372,1005 5.645,1006 6.78,1007 0.379,1008 10.159,1009 5.558,1010 8.343,1011 -0.53,1012 10.329,1013 0.8,1014 6.043,1015 7.538,1016 0.268,1017 11.884,1018 5.946,1019 9.722,1020 -0.819,1021 12.073,1022 -1.346,1023 7.508,1024 9.391,1025 0.239,1026 14.456,1027 7.393,1028 11.128,1029 -1,1030 13.845,1031 -2,1032 8.288,1033 10.564,1034 0.188,1035 16.531,1036 8.167,1037 12.555,1038 -1.028,1039 15.635,1040 -2.446,1041 9.534,1042 12.21,1043 0.156,1044 18.943,1045 9.399,1046 3.109,1047 -1.438,1048 17.44,1049 -2.733,1050 10.491,1051 13.571,1052 0.125,1053 21.168,1054 10.352,1055 2.627,1056 10.398,1057 19.256,1058 -3.677,1059 11.651,1060 15.132,1061 0.102,1062 23.526,1063 11.502,1064 2.524,1065 8.002,1066 21.081,1067 4.507,1068 12.693,1069 16.576,1070 0.082,1071 25.816,1072 12.538,1073 1.971,1074 7.021,1075 22.913,1076 3.251,1077 13.822,1078 18.103,1079 0.066,1080 28.159,1081 13.658,1082 1.392,1083 5.92,1084 24.752,1085 2.712,1086 14.904,1087 19.582,1088 0.054,1089 30.476,1090 14.734,1091 1.314,1092 3.664,1093 26.597,1094 2.504,1095 16.026,1096 21.096,1097 0.043,1098 32.816,1099 15.847,1100 1.128,1101 2.919,1102 28.446,1103 1.891,1104 17.129,1105 22.59,1106 0.035,1107 35.146,1108 16.943,1109 3297,1110 4213,1111 14.216,1112 27.387,1113 31.468,1114 31.471,1115 31.823,1116 31.513,1117 31.519,1118 39.26,1119 1.6,1120 89.037,1121 30.753,1122 5.508,1123 5.208,1124 6.189,1125 5.137,1126 5.109,1127 7.507,1128 1.2,1129 17.067,1130 5.074,1131 7.48,1132 1.498,1133 1.499,1134 1.515,1135 1.501,1136 1.501,1137 1.87,1138 0.076,1139 4.24,1140 1.464,1141 4.141,1142 4.175,1143 4.096,1144 4.065,1145 4.96,1146 4.068,1147 3.844,1148 3.915,1149 3.713,1150 3.682,1151 4.369,1152 3.679,1153 3.661,1154 3.722,1155 3.535,1156 3.548,1157 4.325,1158 3.537,1159 3.374,1160 3.447,1161 3.198,1162 3.244,1163 3.999,1164 3.224,1165 3.163,1166 3.248,1167 2.985,1168 2.974,1169 3.819,1170 2.966,1171 2.89,1172 3.009,1173 2.75,1174 2.752,1175 3.592,1176 2.743,1177 2.874,1178 2.979,1179 2.583,1180 2.671,1181 3.467,1182 2.635,1183 2.869,1184 2.961,1185 2.499,1186 2.618,1187 3.209,1188 2.57,1189 0.217,1190 0.153,1191 0.312,1192 0.195,1193 0.148,1194 4.558,1195 0.215,1196 3.208,1197 0.038,1198 6.559,1199 0.495,1200 4.098,1201 0.146,1202 3.109,1203 4.507,1204 0.8,1205 10.398,1206 3.074,1207 1.979,1208 1.956,1209 2.086,1210 2.053,1211 1.312,1212 2.065,1213 1.688,1214 1.629,1215 1.896,1216 1.879,1217 1.211,1218 1.887,1219 1.577,1220 1.507,1221 1.86,1222 1.751,1223 1.189,1224 1.793,1225 1.554,1226 1.487,1227 1.796,1228 1.749,1229 0.969,1230 1.77,1231 1.423,1232 1.349,1233 1.639,1234 1.64,1235 0.857,1236 1.649,1237 1.074,1238 0.983,1239 1.417,1240 1.322,1241 0.524,1242 1.356,1243 0.934,1244 0.804,1245 1.391,1246 1.239,1247 0.469,1248 1.308,1249 0.864,1250 0.8,1251 1.12,1252 1.041,1253 0.241,1254 1.075,1255 3.761,1257 5.069,1258 3.045,1259 6.555,1260 5.283,1261 8.127,1262 7.273,1263 9.748,1265 4.523,1271 7.719,1275 0.603,1276 2.588,1280 24.838,1281 51.803,1282 129.109,1283 181.555,1284 191.82,1285 191.82,1286 191.82,1287 21.316,1288 6.575,1289 19.03,1290 19.03,1291 16,1292 12.107,1293 3.459,1294 2.585,1295 27.848,1296 56,1297 49,1298 0.247,1299 153.539,1300 255.22,1301 366.395,1302 5529,1304 13.242,1305 0.697,1306 0.636,1307 13.242,1308 12.077,1309 9.237,1310 0.44,1311 0.36,1312 7.511,1313 9.064,1314 7.246,1315 6.057,1316 9.237,1317 7.561,1318 8.306,1319 0.286,1320 0.209,1321 8.306,1322 6.072,1323 6.966,1324 0.183,1325 0.115,1326 6.966,1327 4.354,1328 5.593,1329 0.117,1330 0.063,1331 5.593,1332 3.047,1333 3.974,1334 0.074,1335 0.034,1336 3.974,1337 1.835,1338 0.381,1339 56.49,1340 0.265,1341 19.029,1342 0.694,1343 100,1344 181.978,1345 103.802,1346 184.96,1347 266.24,1348 176,1349 117,1350 205.085,1351 121.496,1352 212.459,1353 310.98,1354 201,1355 8.276} {0 CHEMBL29808,1 1.338,2 11.458,3 3.287,4 10.804,5 99.718,6 6.923,7 0.593,8 3.921,9 4.057,10 3.451,11 3.481,12 4.934,13 3.444,14 4.464,15 4.659,16 3.783,17 3.88,18 5.38,19 3.82,20 4.714,21 4.944,22 3.794,23 4.031,24 5.546,25 3.922,26 4.796,27 5.052,28 3.634,29 4.029,30 5.56,31 3.868,32 4.792,33 5.086,34 3.497,35 3.925,36 5.481,37 3.743,38 4.629,39 4.913,40 3.416,41 3.772,42 5.327,43 3.612,44 4.488,45 4.771,46 3.28,47 3.637,48 5.235,49 3.486,50 4.332,51 4.608,52 3.115,53 3.524,54 5.119,55 3.355,56 0.048,57 0.702,58 10.219,59 4.009,60 8.731,61 5.755,62 0.184,63 1.16,64 18.779,65 6.405,66 15.748,67 9.474,68 0.211,69 1.398,70 24.673,71 8.964,72 19.67,73 13.189,74 0.205,75 1.433,76 27.193,77 10.458,78 22.86,79 15.296,80 0.214,81 1.36,82 27.896,83 10.489,84 24.647,85 15.534,86 0.173,87 1.184,88 23.569,89 8.41,90 17.894,91 12.614,92 0.217,93 1.045,94 20.6,95 6.884,96 17.8,97 10.396,98 0.147,99 0.874,100 17.32,101 6.565,102 18.024,103 9.648,104 3,105 37,106 0.228,107 0.591,108 0.752,109 0.824,110 0.824,111 0.824,112 3.228,113 0.938,114 -4.08,115 -4.02,116 -3.81,119 43.5,125 5,133 1,134 1,140 6,141 3,142 1,143 1,149 1,159 1,169 9,172 5,174 1,176 2,178 9,181 1,182 5,186 1,189 7,193 2,195 1,197 1,199 2,202 1,203 5,215 4,226 2,229 1,233 2,236 1,237 2,244 4,249 1,254 2,256 5,259 762,260 16.817,261 16.817,262 16.817,263 16.817,264 16.817,265 14.908,266 15.817,267 9.948,268 17.156,269 13.28,270 13.28,271 13.28,272 13.28,273 13.28,274 10.391,275 24.479,276 4.649,277 13.83,278 4.186,279 2.06,280 1.12,281 0.696,282 0.696,283 0.696,284 3.933,287 1,288 1,289 1,290 612,291 2.345,294 54.101,295 220.763,298 101.556,302 1.92,303 9.644,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 50,315 275,316 4.527,317 3.223,318 6.535,319 4.05,320 3.077,321 4.474,322 0.916,323 10.309,324 2.999,325 4.149,326 3.103,327 6.149,328 3.833,329 2.885,330 3.71,331 0.8,332 9.079,333 2.745,334 3.737,335 2.721,336 5.438,337 3.464,338 2.503,339 2.996,340 0.172,341 7.195,342 2.407,343 3.54,344 2.432,345 5.291,346 3.271,347 2.319,348 2.815,350 6.748,351 2.194,352 3.236,353 2.043,354 4.978,355 2.852,356 1.894,357 2.375,359 5.599,360 1.811,361 3.045,362 1.613,363 4.342,364 2.511,365 1.546,366 2.317,368 4.094,369 1.488,370 2.722,371 1.546,372 4.15,373 2.416,374 1.463,375 1.763,377 3.702,378 1.39,379 2.597,380 1.203,381 3.583,382 2.117,383 1.149,384 1.622,386 2.745,387 1.11,388 2.5,389 1.146,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.236,398 1,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2.072,407 0.736,408 3.167,409 1.59,410 0.649,411 0.913,413 1.503,414 0.609,415 2,416 0.535,417 2.882,418 1.497,419 0.508,420 0.794,422 0.806,423 0.503,424 1.205,425 0.151,426 2.705,427 0.959,433 0.913,434 -0.313,435 2.288,436 0.507,437 -0.464,438 -0.592,440 -0.999,441 -0.448,442 0.666,443 -0.6,444 2,445 0.214,446 -0.757,447 -0.98,449 -1.705,450 -0.732,451 11.6,452 0.483,453 0.427,454 0.018,455 32,456 1.333,457 16,458 0.667,459 16,460 0.667,461 17.357,462 0.723,463 25,464 0.543,465 20.781,466 0.866,467 6.494,468 0.271,469 5.337,470 0.222,471 0.043,473 0.284,479 1.024,480 1.409,481 0.849,482 1.085,483 0.947,484 0.975,485 1.504,486 1.066,487 1.015,488 0.905,489 0.886,490 0.913,491 1.188,492 1.067,493 1.08,494 1.043,495 0.756,496 1.05,497 0.887,498 1.068,499 1.119,500 1.157,501 0.963,502 1.159,503 0.745,504 0.933,505 0.937,506 0.988,507 0.879,508 0.982,509 1.007,510 1.063,511 0.985,512 1.019,513 0.781,514 1.003,515 1.354,516 0.867,517 1.092,518 0.905,519 1.168,520 0.962,521 0.826,522 0.909,523 1.02,524 1.017,525 1.281,526 1.033,527 4,528 0.061,529 2.667,530 1.167,531 0.742,532 0.681,533 0.332,534 0.161,535 0.197,536 0.111,537 7420,538 16110,539 2.187,540 47.8,542 19,543 1,544 1,545 1,550 1.661,551 2.118,552 3.464,553 -0.383,554 1,555 1,559 61.538,560 1.338,561 3.463,562 4.404,563 4.828,564 4.828,565 4.828,566 2.939,567 4.137,568 4.555,569 3.621,570 999.342,571 7.822,572 11991.5,574 1,576 1,577 254.084,578 1.099,579 4.546,580 0.148,581 0.004,582 0.072,583 0.032,584 0.026,585 0.027,586 0.014,587 0.008,588 0.012,589 0.007,590 0.35,591 0.5,592 1,593 0.573,594 115.913,595 0.038,596 -0.24,597 0.08,598 -0.071,599 0.011,600 -0.006,601 -0.121,602 0.08,603 -0.037,604 0.046,605 -0.021,606 0.018,607 -0.083,608 -0.021,609 -0.109,610 -0.071,611 0.059,612 -0.089,613 -0.026,614 -0.104,615 -0.155,616 -0.165,617 -0.108,618 -0.171,619 0.087,620 -0.03,621 0.047,622 -0.004,623 -0.043,624 0.014,625 -0.015,626 -0.123,627 0.006,628 -0.053,630 -0.027,631 -0.123,632 0.12,633 -0.085,634 0.03,635 -0.168,636 -0.014,637 0.04,638 0.027,639 -0.044,640 -0.031,641 -0.146,642 -0.043,643 0.687,644 1.371,645 0.875,646 21.896,647 0.986,648 1.125,649 2.847,650 8.104,651 0.671,652 3.332,653 3.638,654 3.932,655 4.174,656 4.382,657 4.419,658 4.543,659 4.615,660 4.673,661 4.804,662 6.554,663 0.627,664 318.46,665 3.332,666 4.86,667 5.714,668 6.581,669 7.447,670 8.319,671 9.19,672 10.064,673 10.936,674 11.811,675 8.7,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,714 46,716 17,717 1,718 27,720 49,721 20,722 13,723 2,724 4,725 2,730 4,731 5,745 15,746 5,750 1,751 1,757 1,760 1,761 1,764 22,765 3,766 1,767 4,773 4,777 0.75,786 1,788 1,792 1,793 3,796 1,809 1,810 1,815 1,819 3,827 24,833 5,838 2,854 11.333,855 8.1,856 5.333,857 2.757,858 3.082,859 1.416,860 1.029,861 4.263,862 10.492,863 3.611,864 4.186,865 4.799,866 5.363,867 5.828,868 6.027,869 6.344,870 6.559,871 6.427,872 6.715,873 0.875,874 36,875 8.848,877 3.704,878 7.431,879 17.521,881 14.635,883 1.931,884 46.333,887 1,888 247.193,889 124.14,890 39.82,895 124.14,896 247.193,897 39.82,899 26.295,900 75.381,901 30.272,902 43.782,903 11.771,904 223.651,906 247.193,907 163.96,911 247.193,915 41.201,916 96.497,917 26.262,919 247.193,920 39.82,921 124.14,924 247.193,925 23.945,926 90.677,927 16.786,928 32.552,929 247.193,930 39.82,931 124.14,933 0.574,934 0.344,935 0.184,936 0.098,937 19,938 7,939 0.082,940 4,941 1,942 1.095,943 3.804,944 193.999,945 0.095,946 21,947 102.039,951 15.279,952 6.697,953 3.204,954 2.216,955 23.034,956 16.727,957 4.371,958 3.267,961 3.809,963 16.786,964 411.153,965 36,966 3.813,972 1.887,975 45.36,976 51.73,977 0.242,978 0.627,979 0.797,980 0.874,981 0.874,982 0.874,983 4.828,984 1.149,985 5.673,986 3.702,987 4.317,988 4.871,989 1.242,990 6.457,991 4.24,992 6.006,993 1,994 7.21,995 2.745,996 3.761,997 4.543,998 0.57,999 7.298,1000 3.638,1001 7.292,1002 1,1003 8.845,1004 2.275,1005 5.883,1006 7.067,1007 0.883,1008 10.375,1009 5.729,1010 8.617,1011 0.649,1012 10.541,1013 2.275,1014 6.196,1015 7.674,1016 0.581,1017 12.076,1018 6.003,1019 9.979,1020 0.508,1021 12.276,1022 1.503,1023 7.728,1024 9.604,1025 0.68,1026 14.642,1027 7.504,1028 11.368,1030 14.038,1031 0.806,1032 8.447,1033 10.664,1034 0.515,1035 16.694,1036 8.191,1037 12.777,1038 -0.464,1039 15.82,1041 9.729,1042 12.343,1043 0.541,1044 19.091,1045 9.443,1046 3.077,1047 -0.757,1048 17.617,1049 -0.999,1050 10.646,1051 13.627,1052 0.441,1053 21.291,1054 10.331,1055 2.885,1056 10.309,1057 19.426,1058 -1.705,1059 11.82,1060 15.196,1061 0.438,1062 23.631,1063 11.475,1064 2.503,1065 9.079,1066 21.244,1067 4.474,1068 12.833,1069 16.588,1070 0.373,1071 25.896,1072 12.461,1073 2.319,1074 7.195,1075 23.07,1076 3.71,1077 13.962,1078 18.111,1079 0.358,1080 28.217,1081 13.562,1082 1.894,1083 6.748,1084 24.902,1085 2.996,1086 15.022,1087 19.556,1088 0.314,1089 30.511,1090 14.596,1091 1.546,1092 5.599,1093 26.739,1094 2.815,1095 16.134,1096 21.06,1097 0.296,1098 32.829,1099 15.681,1100 1.463,1101 4.094,1102 28.581,1103 2.375,1104 17.217,1105 22.53,1106 0.264,1107 35.137,1108 16.739,1109 6904,1110 10264,1111 18.781,1112 30.875,1113 40.723,1114 39.937,1115 40.909,1116 40.027,1117 39.985,1118 52.556,1119 3.778,1120 112.66,1121 38.44,1122 5.527,1123 5.223,1124 6.217,1125 5.118,1126 5.077,1127 7.474,1128 1.605,1129 17.046,1130 4.999,1131 6.683,1132 1.508,1133 1.479,1134 1.515,1135 1.482,1136 1.481,1137 1.947,1138 0.14,1139 4.173,1140 1.424,1141 4.115,1142 4.158,1143 4.074,1144 4,1145 5.06,1146 4.013,1147 3.961,1148 4.002,1149 3.897,1150 3.882,1151 4.856,1152 3.881,1153 3.739,1154 3.803,1155 3.629,1156 3.567,1157 4.542,1158 3.574,1159 3.418,1160 3.479,1161 3.314,1162 3.287,1163 4.38,1164 3.285,1165 3.329,1166 3.394,1167 3.198,1168 3.206,1169 4.244,1170 3.194,1171 3.111,1172 3.206,1173 2.941,1174 2.941,1175 3.91,1176 2.91,1177 3.09,1178 3.185,1179 2.866,1180 2.848,1181 3.674,1182 2.861,1183 2.854,1184 2.925,1185 2.693,1186 2.735,1187 3.666,1188 2.715,1189 0.168,1190 0.119,1191 0.242,1192 0.15,1193 0.114,1194 4.527,1195 0.166,1196 3.223,1197 0.034,1198 6.535,1199 0.382,1200 4.05,1201 0.111,1202 3.077,1203 4.474,1204 0.916,1205 10.309,1206 2.999,1207 1.943,1208 1.911,1209 2.065,1210 2.071,1211 1.327,1212 2.073,1213 1.883,1214 1.853,1215 1.98,1216 1.997,1217 1.117,1218 1.99,1219 1.726,1220 1.66,1221 1.907,1222 1.911,1223 1.045,1224 1.916,1225 1.507,1226 1.445,1227 1.681,1228 1.712,1229 0.825,1230 1.71,1231 1.343,1232 1.284,1233 1.589,1234 1.511,1235 0.8,1236 1.54,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.488,1242 1.429,1243 1.101,1244 1.027,1245 1.35,1246 1.34,1247 0.405,1248 1.356,1249 0.886,1250 0.821,1251 1.181,1252 1.075,1253 0.271,1254 1.107,1255 4.007,1257 5.313,1258 2.398,1259 6.823,1260 4.727,1261 8.417,1262 6.823,1263 10.051,1271 5.267,1276 4.977,1280 28.827,1281 61.538,1282 159.301,1283 202.574,1284 222.084,1285 222.084,1286 222.084,1287 25.175,1288 7.41,1289 35.16,1290 35.16,1291 23,1292 12.351,1293 4.17,1294 3.322,1295 34.177,1296 96,1297 98,1298 0.176,1299 176.802,1300 295.3,1301 423.156,1302 17203,1304 16.355,1305 0.681,1306 0.574,1307 16.355,1308 13.78,1309 11.831,1310 0.438,1311 0.313,1312 8.347,1313 11.494,1314 8.16,1315 6.747,1316 11.831,1317 8.441,1318 10.251,1319 0.277,1320 0.17,1321 10.251,1322 6.272,1323 9.145,1324 0.183,1325 0.096,1326 9.145,1327 4.797,1328 7.542,1329 0.118,1330 0.053,1331 7.542,1332 3.37,1333 6.074,1334 0.077,1335 0.03,1336 6.074,1337 2.355,1338 0.282,1339 73.081,1340 0.231,1341 23.838,1342 0.466,1343 128,1344 289.268,1345 135.993,1346 290.618,1347 413.82,1348 276,1349 151,1350 316.366,1351 160.381,1352 324.777,1353 474.62,1354 307,1355 5} {0 CHEMBL29846,1 1.796,2 11.533,3 5.03,4 25.302,5 125.997,6 8.631,7 0.485,8 4.096,9 4.191,10 3.952,11 3.713,12 5.106,13 3.644,14 4.669,15 4.831,16 4.342,17 4.134,18 5.856,19 4.045,20 4.869,21 5.029,22 4.459,23 4.314,24 5.927,25 4.193,26 5.003,27 5.189,28 4.345,29 4.336,30 6.052,31 4.185,32 5.035,33 5.25,34 4.361,35 4.24,36 6.143,37 4.11,38 4.913,39 5.108,40 4.241,41 4.147,42 6.016,43 4.019,44 4.854,45 5.073,46 4.183,47 4.08,48 6.004,49 3.937,50 4.813,51 5.038,52 3.992,53 4.003,54 5.847,55 3.865,56 0.098,57 0.812,58 12.508,59 5.591,60 15.315,61 6.349,62 0.489,63 1.351,64 27.592,65 9.899,66 55.922,67 10.931,68 0.447,69 1.622,70 33.822,71 12.609,72 31.828,73 14.223,74 0.354,75 1.778,76 45.834,77 16.512,78 40.966,79 18.251,80 0.72,81 1.705,82 46.672,83 14.623,84 84.511,85 16.372,86 0.704,87 1.528,88 42.469,89 13.008,90 66.963,91 14.452,92 0.776,93 1.47,94 39.406,95 12.669,96 88.277,97 14.877,98 0.563,99 1.365,100 41.189,101 12.719,102 69.728,103 14.102,104 38,105 49,106 0.296,107 0.605,108 0.766,109 0.838,110 0.838,111 0.838,112 3.441,113 1.117,114 -3.69,115 -3.65,116 -3.48,119 38.9,120 1,124 2,125 4,140 6,141 2,142 4,150 1,151 1,169 5,171 1,172 2,174 2,176 2,178 10,181 2,182 7,186 3,189 10,193 9,195 1,197 2,199 3,203 7,206 1,208 2,211 7,214 3,215 3,220 1,222 6,225 2,226 5,229 1,231 1,233 6,237 4,244 4,248 2,249 4,256 3,259 1396,260 19.789,261 19.789,262 19.789,263 19.789,264 19.789,265 17.592,266 23.445,267 11.23,268 20.639,269 16.197,270 16.197,271 16.197,272 16.197,273 16.197,274 12.702,275 28.478,276 5.257,277 17.586,278 3.959,279 2.083,280 1.107,281 0.672,282 0.672,283 0.672,284 4.13,285 1,288 1,289 1,290 748,291 3.606,294 67.758,295 285.605,298 132.054,302 1.631,303 34.395,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 64.833,315 346,316 4.94,317 4.713,318 7.441,319 4.396,320 3.491,321 4.864,322 0.86,323 13.079,324 3.151,325 4.451,326 3.305,327 6.526,328 4.005,329 3.055,330 4.318,331 0.8,332 10.28,333 2.902,334 4.33,335 3.128,336 6.488,337 3.894,338 2.939,339 3.944,340 0.8,341 10.052,342 2.788,343 3.658,344 2.785,345 5.442,346 3.398,347 2.467,348 3.074,350 6.957,351 2.294,352 3.581,353 2.734,354 5.293,355 3.178,356 2.264,357 2.858,359 6.493,360 2.067,361 3.421,362 2.431,363 5.114,364 3.055,365 2.131,366 2.622,368 6.02,369 1.934,370 3.285,371 2.4,372 4.954,373 2.869,374 1.96,375 2.528,377 5.607,378 1.776,379 3.101,380 1.993,381 4.923,382 2.767,383 1.842,384 2.18,386 5.568,387 1.621,388 2.866,389 1.487,390 4.633,391 2.281,392 1.364,393 2.011,395 4.303,396 1.229,397 2.468,398 1.311,399 3.986,400 2.109,401 1.137,402 1.46,404 3.063,405 1.103,406 2.187,407 1.146,408 3.59,409 1.967,410 1,411 1.058,413 2.275,414 0.965,415 2,416 1.084,417 3.414,418 1.668,419 0.762,420 1,422 1.903,423 0.667,424 1.808,425 0.954,426 3.24,427 1.525,428 0.648,429 0.727,431 1.179,432 0.561,433 1.172,434 0.578,435 2.939,436 0.846,437 -0.062,438 -0.072,440 -0.129,441 -0.052,442 1.147,443 0.228,444 2.725,445 0.805,446 -0.137,447 -0.148,449 -0.3,450 -0.116,451 15.081,452 0.503,453 0.978,454 0.033,455 38,456 1.267,457 18.5,458 0.617,459 19.5,460 0.65,461 29.099,462 0.97,463 32.919,464 0.61,465 29.463,466 0.982,467 7.168,468 0.239,469 7.112,470 0.237,471 0.191,472 0.055,473 0.318,479 0.617,480 1.386,481 0.705,482 1.1,483 0.648,484 0.935,485 0.92,486 0.858,487 0.682,488 0.642,489 0.526,490 0.685,491 0.942,492 1.026,493 0.964,494 1.014,495 0.877,496 0.995,497 0.868,498 1.272,499 1.145,500 1.327,501 0.822,502 1.149,503 1.372,504 0.896,505 0.81,506 0.793,507 1.51,508 0.846,509 1.297,510 1.024,511 0.974,512 0.967,513 1.435,514 1.018,515 0.658,516 0.948,517 0.874,518 1.012,519 0.786,520 0.96,521 1.271,522 0.9,523 1.004,524 0.983,525 1.471,526 0.859,527 8,528 0.172,529 4.444,530 2.944,531 2.459,532 1.129,533 1.088,534 0.583,535 0.334,536 0.337,537 11396,538 33027,539 2.04,540 44.4,541 3,542 20,545 1,550 1.73,551 1.865,552 3.476,553 -0.283,559 96.976,560 1.796,561 3.671,562 4.648,563 5.083,564 5.083,565 5.083,566 2.899,567 4.507,568 4.88,569 3.617,570 1573.43,571 8.521,572 21414.4,577 310.764,578 1.679,579 4.809,580 0.242,581 0.007,582 0.091,583 0.058,584 0.051,585 0.026,586 0.027,587 0.016,588 0.01,589 0.012,590 0.539,591 0.33,592 0.88,593 0.792,594 153.073,595 0.066,596 -0.208,597 0.138,598 -0.073,599 -0.133,600 0.006,601 0.063,602 0.269,603 0.166,604 0.298,605 0.268,606 0.228,607 -0.038,608 0.07,609 0.005,610 0.008,611 -0.037,612 -0.04,613 -0.012,614 -0.245,615 -0.11,616 -0.218,617 0.071,618 -0.139,619 -0.142,620 0.075,621 0.096,622 0.147,623 -0.096,624 0.1,625 -0.074,626 -0.03,627 -0.039,628 -0.024,629 -0.134,630 -0.082,631 0.322,632 0.045,633 0.084,634 -0.025,635 0.245,636 0.02,637 -0.133,638 0.056,639 -0.013,640 0.05,641 -0.112,642 0.133,643 4.653,644 6.177,645 0.7,646 27.569,647 1.009,648 1.12,649 2.457,650 6.039,651 0.702,652 3.526,653 3.912,654 4.19,655 4.477,656 4.718,657 4.787,658 4.905,659 5.011,660 4.949,661 5.011,662 6.651,663 0.652,664 466.07,665 3.526,666 5.106,667 5.974,668 6.884,669 7.773,670 8.686,671 9.583,672 10.498,673 11.399,674 12.315,675 5.6,678 1,680 1,681 1,687 2,688 6,692 1,693 6,695 16,709 1,712 1,713 1,714 54,716 18,717 2,718 33,720 57,721 21,722 14,723 6,724 6,730 4,731 5,732 1,736 1,745 14,746 7,750 2,753 1,755 2,764 24,765 6,766 1,767 9,768 3,773 3,777 0.75,778 3,792 1,793 3,796 1,815 1,819 3,821 2,823 3,824 1,827 30,830 1,833 4,834 1,835 1,838 2,842 1,846 1,847 5.6,850 2,852 1,854 16.083,855 10.626,856 6.431,857 3.068,858 3.12,859 1.403,860 1.004,861 6.285,862 10.856,863 3.784,864 4.463,865 5.03,866 5.648,867 6.198,868 6.534,869 6.89,870 7.253,871 7.291,872 7.475,873 0.875,874 51,875 11.388,877 5.135,878 7.773,879 21.44,881 18.087,883 2.273,884 68.194,888 270.735,889 151.232,890 22.654,891 39.149,892 55.313,894 37.085,895 114.147,896 365.197,897 22.654,898 28.105,899 8.423,900 62.665,901 60.718,902 37.265,903 0.746,904 302.013,905 39.149,906 270.735,907 136.8,908 55.313,909 76.234,911 270.735,912 55.313,915 20.372,916 100.023,917 61.361,918 31.278,919 270.735,920 77.966,921 190.381,923 5.807,924 270.735,925 60.462,926 91.211,927 16.405,928 94.461,929 270.735,930 77.966,931 190.381,933 0.598,934 0.352,935 0.189,936 0.108,937 25,938 12,939 0.088,940 5,941 1,942 1.095,943 3.989,944 277.213,945 0.095,946 21,947 139.207,948 1,950 1,951 21.84,952 8.633,953 4.487,954 1.755,955 77.966,956 10.822,960 1.249,961 3.738,963 16.405,964 539.082,965 43,968 -3.737,970 26.354,975 54.483,976 60.474,977 0.312,978 0.638,979 0.808,980 0.883,981 0.883,982 0.883,983 5.063,984 1.842,985 6.019,986 5.607,987 4.595,988 5.15,989 1.481,990 6.909,991 4.44,992 6.323,993 1.364,994 7.637,995 5.568,996 4.443,997 5.33,998 0.57,999 8.12,1000 4.182,1001 7.693,1002 1.137,1003 9.362,1004 4.303,1005 6.312,1006 7.521,1007 1.104,1008 11.194,1009 6.011,1010 9.103,1011 1,1012 11.153,1013 3.063,1014 6.938,1015 8.498,1016 0.479,1017 13.228,1018 6.522,1019 10.549,1020 0.762,1021 12.988,1022 2.275,1023 8.356,1024 10.258,1025 0.854,1026 15.914,1027 7.896,1028 12.021,1029 0.648,1030 14.855,1031 1.903,1032 9.319,1033 11.566,1034 0.346,1035 18.264,1036 8.741,1037 13.513,1038 -0.062,1039 16.746,1040 1.179,1041 10.588,1042 13.184,1043 0.661,1044 20.845,1045 9.948,1046 3.491,1047 -0.137,1048 18.656,1049 -0.129,1050 11.697,1051 14.632,1052 0.237,1053 23.317,1054 10.942,1055 3.055,1056 13.079,1057 20.582,1058 -0.3,1059 12.922,1060 16.204,1061 0.505,1062 25.873,1063 12.088,1064 2.939,1065 10.28,1066 22.521,1067 4.864,1068 14.094,1069 17.713,1070 0.158,1071 28.395,1072 13.149,1073 2.467,1074 10.052,1075 24.469,1076 4.318,1077 15.311,1078 19.272,1079 0.382,1080 30.95,1081 14.274,1082 2.264,1083 6.957,1084 26.427,1085 3.944,1086 16.513,1087 20.809,1088 0.104,1089 33.495,1090 15.366,1091 2.131,1092 6.493,1093 28.391,1094 3.074,1095 17.733,1096 22.367,1097 0.285,1098 36.053,1099 16.486,1100 1.96,1101 6.02,1102 30.361,1103 2.858,1104 18.951,1105 23.919,1106 0.068,1107 38.61,1108 17.594,1109 10912,1110 18852,1111 21.383,1112 37.909,1113 50.313,1114 51.86,1115 52.874,1116 50.269,1117 50.12,1118 65.29,1119 4.92,1120 153.556,1121 46.117,1122 5.94,1123 6.713,1124 6.981,1125 5.571,1126 5.491,1127 7.864,1128 1.72,1129 21.164,1130 5.151,1131 17.361,1132 1.525,1133 1.572,1134 1.602,1135 1.523,1136 1.519,1137 1.978,1138 0.149,1139 4.653,1140 1.397,1141 4.167,1142 4.149,1143 4.796,1144 4.212,1145 7.717,1146 4.122,1147 3.967,1148 4.002,1149 4.198,1150 3.881,1151 6.999,1152 3.874,1153 3.808,1154 3.836,1155 3.896,1156 3.731,1157 4.973,1158 3.651,1159 3.694,1160 3.69,1161 3.752,1162 3.546,1163 4.858,1164 3.543,1165 3.337,1166 3.383,1167 3.612,1168 3.249,1169 4.513,1170 3.2,1171 3.231,1172 3.305,1173 3.091,1174 2.986,1175 4.412,1176 2.967,1177 3.188,1178 3.276,1179 3.077,1180 2.957,1181 4.342,1182 2.94,1183 3.111,1184 3.206,1185 3.013,1186 2.941,1187 3.981,1188 2.91,1189 0.15,1190 0.143,1191 0.225,1192 0.133,1193 0.106,1194 4.94,1195 0.147,1196 4.713,1197 0.026,1198 7.441,1199 0.396,1200 4.396,1201 0.095,1202 3.491,1203 4.864,1204 0.86,1205 13.079,1206 3.151,1207 1.939,1208 1.929,1209 2.032,1210 2.072,1211 1.306,1212 2.072,1213 1.919,1214 1.905,1215 1.981,1216 1.97,1217 1.176,1218 1.99,1219 1.751,1220 1.766,1221 1.897,1222 1.92,1223 1.085,1224 1.941,1225 1.667,1226 1.624,1227 1.675,1228 1.752,1229 0.959,1230 1.805,1231 1.291,1232 1.259,1233 1.571,1234 1.53,1235 0.825,1236 1.556,1237 1.178,1238 1.107,1239 1.539,1240 1.475,1241 0.644,1242 1.507,1243 1.166,1244 1.068,1245 1.513,1246 1.42,1247 0.594,1248 1.466,1249 1.153,1250 1.064,1251 1.2,1252 1.376,1253 0.556,1254 1.429,1255 4.205,1257 5.572,1258 2.398,1259 7.13,1260 4.844,1261 8.773,1262 7.05,1263 10.46,1265 5.539,1266 6.093,1271 3.615,1272 2.748,1273 5.522,1276 4.495,1280 35.205,1281 96.976,1282 198.258,1283 250.989,1284 274.499,1285 274.499,1286 274.499,1287 61.387,1288 7.737,1289 61.88,1290 98.5,1291 23,1292 12.829,1293 4.248,1294 3.459,1295 46.998,1296 121,1297 122,1298 0.192,1299 225.111,1300 382.84,1301 541.03,1302 24412,1303 1.9,1304 21.466,1305 0.716,1306 0.65,1307 22.569,1308 19.495,1309 14.28,1310 0.433,1311 0.372,1312 9.695,1313 12.342,1314 9.12,1315 7.557,1316 15.798,1317 12.291,1318 13.767,1319 0.281,1320 0.22,1321 16.108,1322 10.804,1323 11.343,1324 0.175,1325 0.137,1326 13.866,1327 8.883,1328 9.532,1329 0.11,1330 0.076,1331 12.003,1332 6.646,1333 7.847,1334 0.071,1335 0.046,1336 10.332,1337 5.091,1338 0.299,1339 104.917,1340 0.216,1341 28.077,1342 0.532,1343 164,1344 484.754,1345 260.672,1346 536.629,1347 720.52,1348 496,1349 196,1350 462.832,1351 294.867,1352 534.469,1353 784.47,1354 497,1355 6.7} {0 CHEMBL298612,1 1.504,2 8.783,3 1.96,4 3.84,5 88.927,6 7.078,7 0.385,8 3.889,9 4.016,10 3.427,11 3.426,12 4.896,13 3.4,14 4.492,15 4.681,16 3.822,17 3.881,18 5.452,19 3.832,20 4.795,21 5.017,22 3.868,23 4.038,24 5.84,25 3.938,26 4.833,27 5.094,28 3.706,29 3.924,30 5.79,31 3.802,32 4.642,33 4.889,34 3.639,35 3.677,36 5.811,37 3.609,38 4.436,39 4.626,40 3.526,41 3.513,42 5.756,43 3.486,44 4.303,45 4.488,46 3.331,47 3.46,48 5.504,49 3.407,50 4.261,51 4.483,52 3.248,53 3.528,54 5.12,55 3.412,56 0.015,57 0.668,58 9.646,59 4.033,60 5.378,61 5.579,62 0.187,63 1.141,64 19.168,65 6.817,66 16.938,67 9.849,68 0.36,69 1.403,70 27.126,71 9.798,72 59.34,73 14.095,74 0.302,75 1.333,76 29.472,77 9.945,78 43.787,79 14.523,80 0.404,81 1.042,82 24.931,83 7.768,84 55.774,85 10.915,86 0.363,87 0.837,88 20.085,89 6.08,90 66.427,91 7.875,92 0.336,93 0.782,94 17.345,95 5.173,96 59.782,97 6.784,98 0.198,99 0.825,100 15.875,101 5.753,102 27.54,103 8.164,104 10,105 38,106 0.261,107 0.605,108 0.782,109 0.835,110 0.843,111 0.843,112 3.189,113 0.952,114 -2.58,115 -2.6,116 -2.54,119 40.9,121 2,122 1,124 1,125 3,127 1,140 4,141 2,149 1,150 1,155 1,156 1,169 7,172 6,174 1,176 1,178 6,181 1,182 5,184 2,186 3,189 4,192 1,193 4,197 1,199 1,202 2,203 6,206 1,208 1,211 1,214 1,215 6,220 2,222 3,226 3,231 1,233 3,236 1,237 3,244 4,249 2,256 5,259 665,260 15.585,261 15.585,262 15.585,263 15.585,264 15.585,265 14.2,266 17.222,267 8.951,268 15.796,269 12.811,270 12.811,271 12.811,272 12.811,273 12.811,274 10.602,275 20.199,276 4.241,277 13.118,278 3.956,279 1.977,280 0.961,281 0.654,282 0.608,283 0.608,284 3.884,287 1,288 1,289 1,290 452,291 3.24,294 47.627,295 253.937,298 89.787,302 1.308,303 23.834,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49.5,315 202,316 4.68,317 3.853,318 6.859,319 4.241,320 3.251,321 4.629,322 1.058,323 11.376,324 3.225,325 4.099,326 3.209,327 6.252,328 3.945,329 2.976,330 3.456,331 0.8,332 9.424,333 2.886,334 3.901,335 3.075,336 6.075,337 3.653,338 2.645,339 2.953,341 8.52,342 2.654,343 3.372,344 2.806,345 5.283,346 3.068,347 2.136,348 2.708,350 6.49,351 1.987,352 3.277,353 2.373,354 5.179,355 2.903,356 1.943,357 2.538,359 5.957,360 1.861,361 3.091,362 2.015,363 4.79,364 2.806,365 1.82,366 2.108,368 5.033,369 1.784,370 2.747,371 1.748,372 4.41,373 2.496,374 1.506,375 1.808,377 4.178,378 1.486,379 2.595,380 1.679,381 3.796,382 2.207,383 1.21,384 1.596,386 2.818,387 1.203,388 2.439,389 1.203,390 3.583,391 2.008,392 1,393 1.36,395 2.512,396 1,397 2.106,398 1.077,399 3.414,400 1.984,401 1,402 1,404 2.275,405 0.983,406 2,407 0.901,408 3.268,409 1.555,410 0.509,411 0.754,413 1.262,414 0.526,415 1.056,416 0.549,417 2.679,418 0.837,419 -0.156,420 -0.177,422 -0.395,423 -0.153,424 0.794,425 -0.198,426 2.374,427 0.392,428 -0.572,429 -0.729,431 -1.348,432 -0.547,433 0.698,434 -0.419,435 2.291,436 0.23,437 -0.763,438 -0.775,440 -1.876,441 -0.753,442 0.426,443 -0.581,444 2,445 0.191,446 -0.801,447 -1,449 -2.021,450 -0.79,451 10.867,452 0.472,453 0.627,454 0.027,455 26.5,456 1.152,457 11,458 0.478,459 15.5,460 0.674,461 19.577,462 0.851,463 25.133,464 0.571,465 18.871,466 0.82,467 5.013,468 0.218,469 6.118,470 0.266,471 0.107,473 0.396,479 0.675,480 1.434,481 0.801,482 1.136,483 0.491,484 1.004,485 0.823,486 1.076,487 0.91,488 0.932,489 0.489,490 0.913,491 0.691,492 1.088,493 0.991,494 1.104,495 0.548,496 1.088,497 0.922,498 1.035,499 0.94,500 1.038,501 0.938,502 0.997,503 1.399,504 0.834,505 0.882,506 0.864,507 1.727,508 0.813,509 2.352,510 1.001,511 1.178,512 0.949,513 2.935,514 0.926,515 2.491,516 0.95,517 1.442,518 0.889,519 2.83,520 1.011,521 1.008,522 1.008,523 1.163,524 1.031,525 0.937,526 1.109,527 4.5,528 0.053,529 3.111,530 2.014,531 1.209,532 0.799,533 0.382,534 0.278,535 0.172,536 0.108,537 5835,538 12669,539 2.141,540 47.7,542 14,543 1,545 1,547 5,550 1.658,551 2,552 3.132,553 -0.326,554 1,555 1,557 1,559 66.163,560 1.504,561 3.483,562 4.499,563 4.806,564 4.851,565 4.851,566 2.496,567 4.143,568 4.502,569 3.276,570 828.712,571 7.748,572 9258.73,574 1,576 1,577 240.215,578 1.422,579 4.454,580 0.173,581 0.006,582 0.082,583 0.054,584 0.04,585 0.029,586 0.015,587 0.013,588 0.009,589 0.006,590 0.428,591 0.67,592 1,593 0.58,594 106.445,595 -0.019,596 -0.205,597 0.068,598 -0.046,599 -0.003,600 0.011,601 -0.028,602 0.09,603 0.015,604 0.073,605 0.053,606 0.06,607 0.148,608 -0.049,609 -0.045,610 -0.107,611 0.206,612 -0.103,613 0.032,614 -0.095,615 0.046,616 -0.074,617 0.017,618 -0.019,619 0.079,620 0.083,621 0.169,622 0.069,623 -0.037,624 0.123,625 -0.247,626 -0.071,627 -0.086,628 -0.006,629 -0.279,630 -0.026,631 -0.523,632 0.053,633 -0.377,634 0.052,635 -0.468,636 -0.119,637 -0.148,638 0.034,639 -0.219,640 -0.032,641 -0.156,642 -0.126,643 2.139,644 5.613,645 0.739,646 15.293,647 0.998,648 1.128,649 1.351,650 1.824,651 0.654,652 3.296,653 3.664,654 3.989,655 4.277,656 4.522,657 4.489,658 4.511,659 4.533,660 4.554,661 4.615,662 5.415,663 0.619,664 311.42,665 3.296,666 4.86,667 5.74,668 6.64,669 7.535,670 8.438,671 9.337,672 10.24,673 11.141,674 12.045,675 6.8,678 1,682 1,683 1,687 2,688 5,693 1,694 1,695 10,700 1,714 44,716 12,717 1,718 26,720 47,721 18,722 8,723 2,724 4,725 2,730 4,731 6,740 3,741 1,743 3,745 10,746 8,747 1,750 2,755 2,759 2,760 1,761 1,764 21,765 4,766 1,767 5,773 3,777 0.5,778 2,788 1,792 1,793 4,796 1,805 1,815 1,819 2,823 1,827 23,833 5,834 1,837 2,838 1,847 4.5,850 2,854 11.5,855 8.067,856 4.917,857 2.79,858 2.036,859 1.281,860 1.001,861 3.646,862 9.281,863 3.526,864 4.115,865 4.726,866 5.297,867 5.782,868 6.044,869 6.345,870 6.609,871 6.505,872 6.627,873 0.833,874 37,875 8.616,877 3.845,878 7.717,879 16.733,881 14.651,883 2.217,884 51,888 235.422,889 84.476,890 23.034,892 50.29,895 84.476,896 285.712,897 23.034,898 8.396,899 29.397,900 46.952,901 60.128,902 10.782,903 13.915,904 223.651,906 235.422,907 107.51,908 50.29,911 176.567,912 109.145,915 34.42,916 73.09,919 235.422,920 73.324,921 84.476,924 235.422,925 29.127,926 60.372,927 18.011,928 50.29,929 235.422,930 73.324,931 84.476,933 0.595,934 0.363,935 0.199,936 0.111,937 21,938 9,939 0.064,940 3,941 4,942 1.353,943 3.532,944 193.465,945 0.471,946 15,947 92.042,951 14.766,952 5.68,953 2.551,954 1.801,955 71.425,956 9.429,961 0.488,962 1.893,963 18.011,964 393.222,965 33,970 25.065,974 -0.904,975 43.912,976 49.651,977 0.275,978 0.638,979 0.824,980 0.88,981 0.889,982 0.889,983 4.8,984 1.21,985 5.746,986 4.178,987 4.344,988 4.8,989 1.435,990 6.603,991 4.303,992 6.001,993 1,994 7.336,995 2.818,996 4.007,997 4.705,998 0.325,999 7.57,1000 3.956,1001 7.319,1002 1,1003 9.026,1004 2.512,1005 5.984,1006 7.002,1007 1.379,1008 10.702,1009 5.907,1010 8.672,1011 0.509,1012 10.772,1013 2.275,1014 6.463,1015 7.803,1016 0.268,1017 12.499,1018 6.389,1019 10.063,1020 -0.156,1021 12.555,1022 1.262,1023 7.931,1024 9.611,1025 1.406,1026 15.155,1027 7.832,1028 11.481,1029 -0.572,1030 14.363,1031 -0.395,1032 8.781,1033 10.825,1034 0.188,1035 17.299,1036 8.685,1037 12.921,1038 -0.763,1039 16.19,1040 -1.348,1041 10.05,1042 12.455,1043 1.462,1044 19.793,1045 9.934,1046 3.251,1047 -0.801,1048 18.03,1049 -1.876,1050 11.069,1051 13.853,1052 0.125,1053 22.089,1054 10.951,1055 2.976,1056 11.376,1057 19.883,1058 -2.021,1059 12.262,1060 15.417,1061 1.533,1062 24.528,1063 12.128,1064 2.645,1065 9.424,1066 21.744,1067 4.629,1068 13.356,1069 16.892,1070 0.082,1071 26.892,1072 13.218,1073 2.136,1074 8.52,1075 23.613,1076 3.456,1077 14.522,1078 18.435,1079 1.613,1080 29.315,1081 14.371,1082 1.943,1083 6.49,1084 25.489,1085 2.953,1086 15.651,1087 19.942,1088 0.054,1089 31.71,1090 15.493,1091 1.82,1092 5.957,1093 27.37,1094 2.708,1095 16.809,1096 21.477,1097 1.698,1098 34.13,1099 16.642,1100 1.506,1101 5.033,1102 29.256,1103 2.538,1104 17.955,1105 22.998,1106 0.035,1107 36.541,1108 17.78,1109 5441,1110 8138,1111 17.512,1112 28.779,1113 40.691,1114 42.332,1115 41.513,1116 40.071,1117 39.989,1118 49.819,1119 3.717,1120 119.69,1121 39.188,1122 5.68,1123 5.853,1124 6.537,1125 5.279,1126 5.251,1127 7.629,1128 2.117,1129 18.859,1130 5.225,1131 9.786,1132 1.565,1133 1.628,1134 1.597,1135 1.541,1136 1.538,1137 1.916,1138 0.143,1139 4.603,1140 1.507,1141 4.146,1142 4.177,1143 4.111,1144 4.057,1145 7.498,1146 4.066,1147 3.967,1148 4.027,1149 3.86,1150 3.824,1151 7.353,1152 3.824,1153 3.58,1154 3.598,1155 3.537,1156 3.413,1157 4.911,1158 3.433,1159 3.425,1160 3.494,1161 3.312,1162 3.207,1163 4.436,1164 3.231,1165 3.155,1166 3.227,1167 3.01,1168 2.97,1169 4.289,1170 2.964,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.87,1176 2.91,1177 3.023,1178 3.118,1179 2.84,1180 2.808,1181 3.774,1182 2.805,1183 2.929,1184 2.986,1185 2.787,1186 2.742,1187 3.512,1188 2.747,1189 0.18,1190 0.148,1191 0.264,1192 0.163,1193 0.125,1194 4.68,1195 0.178,1196 3.853,1197 0.041,1198 6.859,1199 0.438,1200 4.241,1201 0.124,1202 3.251,1203 4.629,1204 1.058,1205 11.376,1206 3.225,1207 1.947,1208 1.921,1209 2.123,1210 2.111,1211 1.529,1212 2.119,1213 1.93,1214 1.878,1215 2.032,1216 2.025,1217 1.164,1218 2.028,1219 1.641,1220 1.607,1221 1.778,1222 1.843,1223 0.873,1224 1.821,1225 1.358,1226 1.302,1227 1.566,1228 1.628,1229 0.825,1230 1.609,1231 1.161,1232 1.091,1233 1.513,1234 1.376,1235 0.815,1236 1.429,1237 1.153,1238 1.064,1239 1.438,1240 1.371,1241 0.615,1242 1.395,1243 1.005,1244 0.922,1245 1.307,1246 1.268,1247 0.527,1248 1.29,1249 0.896,1250 0.842,1251 1.155,1252 1.13,1253 0.202,1254 1.145,1255 3.97,1257 5.323,1258 2.398,1259 6.891,1260 4.844,1261 8.547,1262 7.034,1263 10.244,1265 1.893,1271 5.35,1272 2.983,1275 0.633,1276 2.368,1280 27.235,1281 66.163,1282 153.247,1283 197.95,1284 211.46,1285 213.46,1286 213.46,1287 40.043,1288 7.245,1289 54.34,1290 54.34,1291 23,1292 12.565,1293 3.7,1294 3,1295 31.871,1296 75,1297 58,1298 0.209,1299 164.67,1300 283.46,1301 393.555,1302 13430,1304 15.974,1305 0.695,1306 0.578,1307 15.974,1308 13.288,1309 11.131,1310 0.428,1311 0.317,1312 8.14,1313 10.734,1314 7.954,1315 6.538,1316 11.131,1317 8.249,1318 10.338,1319 0.272,1320 0.177,1321 10.338,1322 6.718,1323 9.241,1324 0.174,1325 0.1,1326 9.241,1327 5.32,1328 7.729,1329 0.109,1330 0.056,1331 7.729,1332 4.007,1333 6.521,1334 0.072,1335 0.033,1336 6.521,1337 3.006,1338 0.323,1339 69.621,1340 0.239,1341 22.316,1342 0.59,1343 128,1344 335.094,1345 138.535,1346 323.107,1347 440.97,1348 302,1349 155,1350 322.174,1351 167.173,1352 327.4,1353 484.41,1354 308,1355 4} {0 CHEMBL29951,1 1.203,2 18.429,3 10.399,4 108.148,5 180.629,6 5.657,7 0.267,8 4.652,9 4.796,10 3.977,11 4.165,12 5.457,13 4.081,14 5.283,15 5.508,16 4.277,17 4.575,18 5.985,19 4.45,20 5.596,21 5.867,22 4.407,23 4.762,24 6.235,25 4.611,26 5.677,27 5.939,28 4.419,29 4.846,30 6.311,31 4.68,32 5.785,33 6.059,34 4.4,35 4.924,36 6.395,37 4.724,38 5.85,39 6.153,40 4.329,41 4.919,42 6.425,43 4.696,44 5.79,45 6.096,46 4.24,47 4.832,48 6.384,49 4.608,50 5.63,51 5.924,52 4.139,53 4.712,54 6.245,55 4.497,56 0.133,57 1.375,58 26.104,59 10.819,60 13.763,61 15.504,62 0.34,63 2.28,64 46.452,65 17.495,66 27.698,67 25.797,68 0.487,69 2.886,70 61.094,71 22.402,72 37.978,73 33.308,74 0.532,75 3.103,76 66.218,77 25.003,78 38.569,79 36.591,80 0.604,81 3.354,82 71.927,83 28.975,84 44.19,85 41.632,86 0.503,87 3.454,88 74.555,89 29.877,90 46.016,91 43.345,92 0.638,93 3.179,94 70.159,95 27.534,96 51.566,97 39.93,98 0.426,99 2.779,100 60.351,101 24.075,102 44.74,103 34.774,104 53,105 58,106 0.177,107 0.38,108 0.611,109 0.692,110 0.692,111 0.692,112 3.764,113 1.175,114 -7.61,115 -7.38,116 -6.81,119 37.3,120 4,121 14,125 6,127 2,140 6,141 4,142 2,169 21,172 14,178 20,182 16,189 17,193 8,199 20,202 2,203 8,211 32,215 2,222 28,225 1,226 6,233 28,237 6,244 24,249 6,256 14,259 3816,260 29.413,261 29.413,262 29.413,263 29.413,264 29.413,265 27.909,266 34.924,267 18.417,268 29.893,269 22.151,270 22.151,271 22.151,272 22.151,273 22.151,274 19.817,275 41.05,276 8.423,277 22.959,278 5.469,279 4.088,280 2.519,281 1.971,282 1.971,283 1.971,284 4.464,290 1636,291 5.099,295 521.968,299 443.035,302 2.503,303 19.775,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.5,312 0.5,313 0.61,314 87,315 774,316 4.394,317 3.353,318 6.548,319 4.072,320 3.093,321 4.03,322 0.86,323 10.373,324 3.031,325 4.394,326 3.353,327 6.548,328 4.072,329 3.093,330 4.03,331 0.86,332 10.373,333 3.03,334 3.777,335 3.009,336 6.087,337 3.661,338 2.721,339 2.809,340 0.8,341 8.854,342 2.554,343 3.777,344 3.008,345 6.087,346 3.66,347 2.721,348 2.809,349 0.8,350 8.854,351 2.554,352 3.379,353 2.54,354 5.203,355 3.083,356 2.134,357 2.61,359 6.25,360 2.018,361 3.376,362 2.533,363 5.202,364 3.068,365 2.12,366 2.609,368 6.249,369 2.004,370 2.929,371 1.946,372 4.462,373 2.812,374 1.82,375 2.081,377 4.458,378 1.803,379 2.928,380 1.884,381 4.462,382 2.671,383 1.69,384 2.081,386 4.457,387 1.655,388 2.853,389 1.84,390 4.123,391 2.671,392 1.69,393 1.858,395 3.771,396 1.655,397 2.607,398 1.753,399 4.116,400 2.429,401 1.469,402 1.614,404 3.52,405 1.405,406 2.607,407 1.545,408 3.857,409 2.38,410 1.385,411 1.614,413 3.418,414 1.377,415 2.503,416 1.465,417 3.583,418 2.365,419 1.373,420 1.503,422 2.987,423 1.356,424 2.247,425 1.363,426 3.437,427 2.237,428 1.247,429 1.247,431 2.452,432 1.233,433 2.247,434 1.298,435 3.342,436 2.237,437 1.247,438 1.247,440 2.156,441 1.233,442 2.15,443 1.298,444 3.247,445 2.042,446 1.095,447 1.139,449 2.117,450 1.028,451 20.467,452 0.487,453 0.581,454 0.014,455 38,456 0.905,457 13,458 0.31,459 25,460 0.595,461 59.33,462 1.413,463 49.733,464 0.488,465 24.708,466 0.588,467 5.917,468 0.141,469 14.76,470 0.351,471 0.098,473 0.235,479 0.929,480 1.473,481 1.11,482 1.342,483 0.991,484 1.253,485 1.393,486 1.217,487 1.137,488 1.135,489 1.08,490 1.114,491 1.385,492 1.004,493 1.004,494 0.948,495 1.043,496 0.942,497 1.519,498 1.05,499 1.14,500 1.052,501 1.262,502 1.064,503 1.079,504 1.096,505 1.093,506 1.113,507 1.148,508 1.112,509 0.912,510 1.006,511 0.983,512 1.019,513 0.997,514 1.01,515 1.1,516 0.909,517 0.981,518 0.937,519 1.19,520 0.952,521 1.078,522 1.024,523 1.034,524 1.05,525 1.076,526 1.044,527 5.5,528 0.115,529 4.222,530 1.875,531 1.893,532 1.389,533 0.771,534 0.552,535 0.336,536 0.205,537 35033,538 54091,539 2.062,540 58.8,541 20,542 20,547 20,550 1.805,551 1.969,552 4.124,553 -0.899,559 122.753,560 1.203,561 2.584,562 4.153,563 4.702,564 4.702,565 4.702,566 3.463,567 3.916,568 5.37,569 4.355,570 3749.99,571 9.449,572 75771.9,577 680.587,578 1.206,579 5.341,580 0.122,581 0.004,582 0.073,583 0.029,584 0.03,585 0.023,586 0.014,587 0.011,588 0.007,589 0.006,590 0.317,591 0.33,592 0.63,593 1.307,594 249.045,595 0.081,596 -0.142,597 0.068,598 -0.06,599 0.057,600 -0.007,601 -0.047,602 -0.045,603 -0.021,604 -0.039,605 0.029,606 -0.028,607 -0.032,608 0.066,609 0.058,610 0.058,611 0.052,612 0.065,613 -0.106,614 0.018,615 -0.073,616 -0.026,617 -0.09,618 -0.042,619 0.029,620 -0.082,621 -0.077,622 -0.078,623 -0.055,624 -0.087,625 -0.007,626 -0.039,627 -0.011,628 -0.03,629 -0.028,630 -0.022,631 0.031,632 0.039,634 0.031,635 -0.038,636 0.016,637 -0.032,638 -0.047,639 -0.044,640 -0.052,641 0.026,642 -0.049,643 0.685,644 2.901,645 0.476,646 55.646,647 0.975,648 1.132,649 6.379,650 40.686,651 0.618,652 3.829,653 4.078,654 4.357,655 4.615,656 4.852,657 4.92,658 5.05,659 5.13,660 5.147,661 5.017,662 11.001,663 0.556,664 577,665 3.829,666 5.333,667 6.168,668 7.024,669 7.883,670 8.752,671 9.623,672 10.498,673 11.373,674 12.252,675 2,678 2,688 6,693 6,695 12,712 2,714 102,716 12,717 2,718 45,720 105,721 38,722 12,723 6,724 6,730 4,731 6,736 4,740 8,743 16,745 12,746 26,764 60,765 4,767 4,773 2,777 0.5,778 2,793 4,797 2,815 2,819 2,823 4,827 42,833 20,835 2,837 2,838 2,847 2,852 2,854 21.333,855 18.9,856 9.917,857 7.728,858 2.459,859 1.286,860 0.936,861 14.361,862 11.057,863 3.951,864 4.382,865 4.864,866 5.336,867 5.797,868 5.918,869 6.154,870 6.371,871 6.563,872 6.499,873 0.917,874 65,875 15.711,877 6.335,878 7.254,879 32.264,881 26.827,883 1.754,884 73.667,888 706.266,889 168.478,890 6.249,892 22,895 168.478,896 728.266,897 6.249,898 35.301,899 53.091,900 56.857,902 51.478,904 706.266,906 706.266,907 174.727,908 22,911 470.844,912 257.422,915 94.64,916 80.087,919 706.266,920 28.248,921 168.478,924 706.266,925 76.32,926 98.407,928 22,929 706.266,930 28.248,931 168.478,933 0.545,934 0.325,935 0.192,936 0.11,937 22,938 10,939 0.181,940 19,941 2,942 1.2,943 5.269,944 390.602,945 0.2,946 20,947 172.477,951 33.184,952 18.177,953 9.643,955 28.248,956 13.425,961 8.23,964 902.993,965 51,975 99.483,976 115.456,977 0.18,978 0.387,979 0.622,980 0.705,981 0.705,982 0.705,983 5.176,984 1.69,985 6.103,986 4.458,987 4.762,988 5.069,989 1.771,990 6.88,991 4.694,992 6.285,993 1.69,994 7.631,995 4.457,996 4.111,997 4.663,998 0.57,999 7.743,1000 3.992,1001 7.543,1002 1.469,1003 9.27,1004 3.771,1005 6.301,1006 7.064,1007 1.413,1008 10.868,1009 6.163,1010 8.839,1011 1.385,1012 10.979,1013 3.52,1014 6.581,1015 7.602,1016 0.479,1017 12.611,1018 6.397,1019 10.18,1020 1.373,1021 12.733,1022 3.418,1023 8.144,1024 9.446,1025 1.15,1026 15.214,1027 7.947,1028 11.55,1029 1.247,1030 14.516,1031 2.987,1032 8.87,1033 10.42,1034 0.346,1035 17.294,1036 8.638,1037 12.943,1038 1.247,1039 16.32,1040 2.452,1041 10.167,1042 12.035,1043 0.93,1044 19.719,1045 9.922,1046 3.093,1047 1.095,1048 18.138,1049 2.156,1050 11.104,1051 13.217,1052 0.237,1053 21.938,1054 10.833,1055 3.093,1056 10.373,1057 19.967,1058 2.117,1059 12.289,1060 14.726,1061 0.742,1062 24.298,1063 12.004,1064 2.721,1065 10.373,1066 21.803,1067 4.03,1068 13.323,1069 16.01,1070 0.158,1071 26.576,1072 13.017,1073 2.721,1074 8.854,1075 23.645,1076 4.03,1077 14.463,1078 17.467,1079 0.583,1080 28.914,1081 14.143,1082 2.134,1083 8.854,1084 25.492,1085 2.809,1086 15.542,1087 18.802,1088 0.104,1089 31.219,1090 15.203,1091 2.12,1092 6.25,1093 27.342,1094 2.809,1095 16.666,1096 20.231,1097 0.452,1098 33.55,1099 16.313,1100 1.82,1101 6.249,1102 29.195,1103 2.61,1104 17.766,1105 21.593,1106 0.068,1107 35.869,1108 17.396,1109 33788,1110 42184,1111 30.394,1112 63.001,1113 64.197,1114 64.91,1115 66.846,1116 64.291,1117 64.265,1118 73.357,1119 6.64,1120 173.322,1121 62.13,1122 5.355,1123 5.353,1124 6.437,1125 5.142,1126 5.093,1127 7.03,1128 1.72,1129 17.157,1130 5.031,1131 19.48,1132 1.427,1133 1.442,1134 1.485,1135 1.429,1136 1.428,1137 1.63,1138 0.148,1139 3.852,1140 1.381,1141 4.06,1142 4.095,1143 3.986,1144 3.979,1145 4.852,1146 3.976,1147 4.001,1148 4.032,1149 3.936,1150 3.931,1151 4.814,1152 3.928,1153 3.76,1154 3.822,1155 3.632,1156 3.606,1157 4.392,1158 3.598,1159 3.741,1160 3.806,1161 3.618,1162 3.595,1163 4.362,1164 3.584,1165 3.727,1166 3.79,1167 3.568,1168 3.581,1169 4.309,1170 3.579,1171 3.502,1172 3.586,1173 3.34,1174 3.353,1175 4.273,1176 3.337,1177 3.501,1178 3.586,1179 3.297,1180 3.348,1181 4.04,1182 3.323,1183 3.501,1184 3.561,1185 3.279,1186 3.348,1187 4.04,1188 3.32,1189 0.098,1190 0.075,1191 0.146,1192 0.09,1193 0.069,1194 4.394,1195 0.09,1196 3.353,1197 0.019,1198 6.548,1199 0.231,1200 4.072,1201 0.067,1202 3.093,1203 4.03,1204 0.86,1205 10.373,1206 3.031,1207 1.999,1208 1.972,1209 2.128,1210 2.102,1211 1.462,1212 2.113,1213 1.998,1214 1.971,1215 2.127,1216 2.1,1217 1.462,1218 2.111,1219 1.755,1220 1.695,1221 2.004,1222 1.939,1223 1.355,1224 1.961,1225 1.728,1226 1.663,1227 1.961,1228 1.913,1229 1.221,1230 1.931,1231 1.718,1232 1.653,1233 1.958,1234 1.888,1235 1.22,1236 1.917,1237 1.539,1238 1.459,1239 1.861,1240 1.738,1241 1.09,1242 1.785,1243 1.539,1244 1.459,1245 1.861,1246 1.738,1247 1.09,1248 1.785,1249 1.505,1250 1.446,1251 1.759,1252 1.702,1253 1.037,1254 1.724,1255 4.511,1257 5.778,1259 7.256,1261 8.846,1263 10.498,1265 9.219,1271 23.226,1273 12.801,1275 1.324,1276 5.442,1280 56.75,1281 122.753,1282 263.585,1283 423.619,1284 479.568,1285 479.568,1286 479.568,1287 85.767,1288 8.598,1289 24.94,1290 24.94,1291 24,1292 12.79,1293 3.7,1294 2.807,1295 79.843,1296 291,1297 220,1298 0.131,1299 349.723,1300 618.46,1301 845.083,1302 94492,1304 29.572,1305 0.704,1306 0.654,1307 29.572,1308 27.472,1309 20.677,1310 0.459,1311 0.392,1312 17.504,1313 20.208,1314 16.987,1315 14.237,1316 20.677,1317 17.631,1318 16.75,1319 0.289,1320 0.22,1321 16.75,1322 12.764,1323 14.059,1324 0.183,1325 0.123,1326 14.059,1327 9.463,1328 11.996,1329 0.12,1330 0.074,1331 11.996,1332 7.392,1333 9.912,1334 0.078,1335 0.044,1336 9.912,1337 5.537,1338 0.219,1339 127.028,1340 0.181,1341 38.541,1342 0.328,1343 206,1344 404.761,1345 217.915,1346 389.995,1347 552.8,1348 374,1349 238,1350 413.839,1351 250.971,1352 417.487,1353 616.34,1354 398,1355 8.409} {0 CHEMBL300519,1 1.216,2 7.118,3 3.713,4 13.783,5 74.633,6 5.907,7 0.556,8 3.705,9 3.858,10 3.077,11 3.233,12 4.62,13 3.158,14 4.27,15 4.506,16 3.39,17 3.633,18 5.048,19 3.53,20 4.461,21 4.691,22 3.379,23 3.793,24 5.245,25 3.635,26 4.645,27 4.944,28 3.239,29 3.777,30 5.309,31 3.569,32 4.498,33 4.809,34 3.118,35 3.602,36 5.126,37 3.4,38 4.255,39 4.507,40 3.08,41 3.484,42 5.015,43 3.317,44 4.324,45 4.615,46 2.656,47 3.38,48 5.017,49 3.142,50 4.213,51 4.585,52 2.285,53 3.075,54 4.694,55 2.773,56 0.054,57 0.553,58 9.697,59 3.72,60 7.882,61 5.61,62 0.122,63 0.877,64 16.57,65 5.975,66 11.5,67 9.184,68 0.104,69 1.028,70 19.665,71 8.063,72 15.85,73 11.85,74 0.134,75 1.098,76 22.691,77 8.937,78 19.185,79 13.329,80 0.146,81 0.935,82 19.525,83 7.553,84 15.225,85 11.275,86 0.1,87 0.809,88 15.914,89 5.891,90 13.724,91 9.003,92 0.144,93 0.801,94 16.841,95 5.602,96 16.083,97 8.886,98 0.089,99 0.604,100 13.893,101 5.284,102 11.37,103 7.988,104 23,105 25,106 0.221,107 0.55,108 0.758,109 0.78,110 0.78,111 0.78,112 2.908,113 1.054,114 -4.17,115 -4.11,116 -3.89,119 38.5,120 2,121 1,122 1,124 2,125 1,140 3,141 3,149 1,150 1,169 9,172 1,176 3,178 11,182 1,186 3,189 11,193 1,197 1,199 8,203 1,206 1,208 1,211 4,215 2,220 2,222 2,226 2,237 2,259 320,260 11.069,261 11.069,262 11.069,263 11.069,264 11.069,265 9.964,266 11.592,267 6.499,268 11.238,269 8.866,270 8.866,271 8.866,272 8.866,273 8.866,274 7.116,275 9.238,276 3.079,277 9.121,278 4.07,279 2.263,280 1.122,281 1.001,282 1.001,283 1.001,284 3.556,287 1,288 1,289 1,290 245,291 3.162,294 35.336,295 40.852,298 64.19,302 1.197,303 5.436,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 35,315 121,316 4.558,317 3.206,318 6.559,319 4.097,320 3.108,321 4.507,322 0.8,323 10.398,324 3.074,325 3.87,326 2.871,327 5.87,328 3.615,329 2.619,330 3.251,332 8,333 2.609,334 3.398,335 2.566,336 5.139,337 3.165,338 2.235,339 2.7,341 6.047,342 2.088,343 3.146,344 2.097,345 4.624,346 2.875,347 1.909,348 2.182,350 5.024,351 1.833,352 2.772,353 1.4,354 4.181,355 2.356,356 1.382,357 1.878,359 3.625,360 1.345,361 2.482,362 1.215,363 3.767,364 2.161,365 1.165,366 1.478,368 2.833,369 1.159,370 2.12,371 0.846,372 3.258,373 1.738,374 0.778,375 1.003,377 1.792,378 0.745,379 1.562,380 0.424,381 2.873,382 1.328,383 0.356,384 0.424,386 0.827,387 0.345,388 0.802,389 -0.326,390 2.33,391 0.428,392 -0.545,393 -0.673,395 -1.366,396 -0.527,397 0.624,398 -0.6,399 2,400 0.161,401 -0.832,402 -1,404 -2,405 -0.825,406 0.148,407 -0.713,408 2,410 -1,411 -1,413 -2,414 -0.9,416 -0.938,417 1.767,418 -0.1,419 -1,420 -1.121,422 -2.589,423 -1,425 -1,426 1.388,427 -0.132,428 -1.095,429 -1.388,431 -3.07,432 -1.052,433 -0.214,434 -1.342,435 1,436 -0.606,437 -1.555,438 -1.765,440 -4.306,441 -1.47,442 -0.322,443 -1.49,444 1,445 -0.655,446 -1.649,447 -2.096,449 -4.979,450 -1.639,451 8.3,452 0.488,453 0.511,454 0.03,455 18.25,456 1.074,457 8,458 0.471,459 10.25,460 0.603,461 14.682,462 0.864,463 19.3,464 0.495,465 10.748,466 0.632,467 3.434,468 0.202,469 4.641,470 0.273,471 0.241,473 0.349,479 1.148,480 1.449,481 1.065,482 1.224,483 1.275,484 1.154,485 1.583,486 0.865,487 0.962,488 0.795,489 0.816,490 0.83,491 0.874,492 1.248,493 1.174,494 1.267,495 1.064,496 1.245,497 0.789,498 1.004,499 0.965,500 1.018,501 1.072,502 1.006,503 0.69,504 0.883,505 0.849,506 0.897,507 0.808,508 0.886,509 1.117,510 1.358,511 1.164,512 1.262,513 0.942,514 1.224,515 1.964,516 1.167,517 1.477,518 1.238,519 1.797,520 1.31,521 0.589,522 0.734,523 0.704,524 0.741,525 0.61,526 0.732,527 4,529 2.222,530 0.979,531 0.773,532 0.635,533 0.405,534 0.128,535 0.14,537 2109,538 3639,539 1.96,540 56.4,541 7,542 11,543 1,545 1,547 2,550 1.571,551 1.789,552 2.867,553 -0.371,555 1,557 1,559 47.42,560 1.216,561 3.023,562 4.163,563 4.285,564 4.285,565 4.285,566 2.257,567 3.735,568 4.054,569 2.993,570 406.991,571 6.866,572 3666.2,573 1,574 1,576 1,577 206.131,578 1.549,579 3.989,580 0.222,582 0.089,583 0.043,584 0.041,585 0.037,586 0.025,587 0.016,588 0.023,590 0.496,591 0.83,592 1,593 1.576,594 69.999,595 0.067,596 -0.169,597 0.051,598 -0.053,599 -0.11,600 -0.01,601 -0.154,602 0.286,603 0.107,604 0.241,605 0.14,606 0.2,607 -0.075,608 -0.157,609 -0.162,610 -0.177,611 -0.083,612 -0.176,613 0.006,614 -0.055,615 -0.01,616 -0.034,617 -0.088,618 -0.025,619 0.188,620 0.049,621 0.105,622 0.062,623 0.076,624 0.075,625 -0.019,626 -0.298,627 -0.148,628 -0.242,629 0.079,630 -0.21,631 -0.431,632 -0.14,633 -0.463,634 -0.321,635 -0.536,636 -0.382,637 0.129,638 0.051,639 0.183,640 0.133,641 0.187,642 0.156,643 0.74,644 0.86,645 0.529,646 11.419,647 0.975,648 1.132,649 2.938,650 8.633,651 0.631,652 2.944,653 3.258,654 3.466,655 3.689,656 3.892,657 3.989,658 4.007,659 3.97,660 3.689,661 3.367,662 4.48,663 0.572,664 230.39,665 2.944,666 4.466,667 5.293,668 6.163,669 7.024,670 7.902,671 8.776,672 9.659,673 10.539,674 11.424,675 5.1,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 39,716 10,717 1,718 18,720 40,721 15,722 8,723 3,724 3,730 2,731 3,736 2,743 1,745 8,746 7,747 1,761 1,764 22,765 1,766 1,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,815 1,819 1,823 4,827 17,833 2,837 1,838 1,854 9.5,855 8.117,856 3.75,857 2.424,858 2.089,859 1.343,860 0.952,861 3.651,862 8.176,863 3.178,864 3.79,865 4.402,866 5.022,867 5.535,868 5.888,869 6.226,870 6.496,871 6.202,872 6.044,873 0.8,874 23,875 6.288,877 2.502,878 7.353,879 12.594,881 10.148,883 1.853,884 31.5,885 0.006,888 247.193,889 87.648,890 19.91,895 87.648,896 247.193,897 19.91,898 34.443,899 4.64,900 37.476,902 28.854,903 13.915,904 235.422,906 247.193,907 107.558,911 223.651,912 23.542,915 42.2,916 65.357,919 247.193,920 19.91,921 87.648,924 247.193,925 15.728,926 75.044,927 16.786,929 247.193,930 19.91,931 87.648,933 0.584,934 0.315,935 0.157,936 0.093,937 12,938 6,939 0.1,940 4,941 1,942 1.222,943 2.883,944 114.116,945 0.222,946 9,947 65.487,951 12.343,952 5.029,953 2.766,954 2.64,955 3.124,956 8.906,958 3.36,961 2.847,963 16.786,964 354.751,965 23,975 38.04,976 44.149,977 0.23,978 0.572,979 0.788,980 0.811,981 0.811,982 0.811,983 4.401,984 0.356,985 5.293,986 1.792,987 3.932,988 4.472,989 0.673,990 6.089,991 3.885,992 5.612,993 -0.545,994 6.851,995 0.827,996 3.611,997 4.388,998 0.325,999 7.008,1000 3.549,1001 6.92,1002 -0.832,1003 8.509,1004 -1.366,1005 5.509,1006 6.738,1007 0.379,1008 10.061,1009 5.435,1010 8.271,1011 -1,1012 10.224,1013 -2,1014 5.969,1015 7.522,1016 0.268,1017 11.811,1018 5.889,1019 9.657,1020 -1,1021 11.977,1022 -2,1023 7.388,1024 9.373,1025 0.239,1026 14.395,1027 7.298,1028 11.07,1029 -1.095,1030 13.755,1031 -2.589,1032 8.2,1033 10.556,1034 0.188,1035 16.487,1036 8.107,1037 12.504,1038 -1.555,1039 15.553,1040 -3.07,1041 9.433,1042 12.203,1043 0.156,1044 18.909,1045 9.331,1046 3.108,1047 -1.649,1048 17.365,1049 -4.306,1050 10.411,1051 13.567,1052 0.125,1053 21.144,1054 10.304,1055 2.619,1056 10.398,1057 19.189,1058 -4.979,1059 11.571,1060 15.13,1061 0.102,1062 23.509,1063 11.455,1064 2.235,1065 8,1066 21.021,1067 4.507,1068 12.626,1069 16.574,1070 0.082,1071 25.804,1072 12.503,1073 1.909,1074 6.047,1075 22.861,1076 3.251,1077 13.76,1078 18.103,1079 0.066,1080 28.15,1081 13.627,1082 1.382,1083 5.024,1084 24.707,1085 2.7,1086 14.853,1087 19.581,1088 0.054,1089 30.47,1090 14.711,1091 1.165,1092 3.625,1093 26.557,1094 2.182,1095 15.979,1096 21.096,1097 0.043,1098 32.811,1099 15.827,1100 0.778,1101 2.833,1102 28.412,1103 1.878,1104 17.09,1105 22.59,1106 0.035,1107 35.142,1108 16.927,1109 2233,1110 2997,1111 11.444,1112 24.625,1113 27.373,1114 26.974,1115 28.097,1116 27.117,1117 27.105,1118 34.846,1119 1.6,1120 77.093,1121 26.394,1122 5.389,1123 5.206,1124 5.94,1125 5.097,1126 5.108,1127 7.507,1128 1.2,1129 17.064,1130 5.074,1131 9.827,1132 1.521,1133 1.499,1134 1.561,1135 1.507,1136 1.506,1137 1.936,1138 0.089,1139 4.283,1140 1.466,1141 4.139,1142 4.173,1143 4.095,1144 4.063,1145 4.96,1146 4.067,1147 3.695,1148 3.764,1149 3.567,1150 3.571,1151 4.368,1152 3.562,1153 3.606,1154 3.688,1155 3.454,1156 3.399,1157 4.304,1158 3.399,1159 3.278,1160 3.352,1161 3.106,1162 3.132,1163 3.994,1164 3.118,1165 3.087,1166 3.186,1167 2.891,1168 2.869,1169 3.78,1170 2.861,1171 2.874,1172 3.009,1173 2.669,1174 2.719,1175 3.502,1176 2.698,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.848,1184 2.919,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.253,1190 0.178,1191 0.364,1192 0.228,1193 0.173,1194 4.558,1195 0.25,1196 3.206,1197 0.044,1198 6.559,1199 0.578,1200 4.097,1201 0.171,1202 3.108,1203 4.507,1204 0.8,1205 10.398,1206 3.074,1207 1.979,1208 1.956,1209 2.086,1210 2.054,1211 1.309,1212 2.065,1213 1.696,1214 1.633,1215 1.92,1216 1.903,1217 1.168,1218 1.913,1219 1.554,1220 1.487,1221 1.801,1222 1.751,1223 0.945,1224 1.77,1225 1.447,1226 1.365,1227 1.692,1228 1.67,1229 0.78,1230 1.687,1231 1.081,1232 0.985,1233 1.417,1234 1.339,1235 0.505,1236 1.374,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.406,1246 1.239,1247 0.469,1248 1.308,1249 0.865,1250 0.8,1251 1.121,1252 1.042,1253 0.238,1254 1.076,1255 3.611,1257 4.92,1258 2.398,1259 6.409,1260 4.727,1261 7.985,1262 6.823,1263 9.616,1265 8.726,1271 2.202,1275 0.594,1276 2.227,1280 22.311,1281 47.42,1282 117.889,1283 162.356,1284 167.111,1285 167.111,1286 167.111,1287 20.314,1288 6.087,1289 19.03,1290 19.03,1291 11,1292 11.958,1293 3.459,1294 2.585,1295 28.378,1296 44,1297 44,1298 0.328,1299 141.748,1300 232.98,1301 337.625,1302 2699,1304 12.414,1305 0.73,1306 0.662,1307 12.414,1308 11.248,1309 8.075,1310 0.449,1311 0.351,1312 6.264,1313 7.888,1314 5.904,1315 5.048,1316 8.075,1317 6.323,1318 7.55,1319 0.302,1320 0.213,1321 7.55,1322 5.327,1323 5.66,1324 0.183,1325 0.106,1326 5.66,1327 3.287,1328 4.391,1329 0.113,1330 0.054,1331 4.391,1332 2.106,1333 3.525,1334 0.073,1335 0.031,1336 3.525,1337 1.477,1338 0.495,1339 49.688,1340 0.296,1341 16.991,1342 0.951,1343 86,1344 167.978,1345 89.136,1346 172.257,1347 242.44,1348 162,1349 99,1350 182.38,1351 102.83,1352 193.689,1353 277.68,1354 179,1355 9.398} {0 CHEMBL300686,1 1.235,2 6.529,3 3.494,4 12.209,5 72.693,6 6.172,7 0.526,8 3.684,9 3.828,10 3.115,11 3.242,12 4.567,13 3.178,14 4.275,15 4.489,16 3.469,17 3.677,18 5.045,19 3.584,20 4.509,21 4.751,22 3.387,23 3.803,24 5.23,25 3.646,26 4.601,27 4.892,28 3.201,29 3.746,30 5.231,31 3.538,32 4.465,33 4.783,34 3.144,35 3.561,36 5.069,37 3.372,38 4.21,39 4.45,40 3.037,41 3.455,42 4.966,43 3.294,44 4.281,45 4.599,46 2.702,47 3.322,48 4.888,49 3.095,50 3.964,51 4.285,52 2.266,53 3.014,54 4.54,55 2.758,56 0.05,57 0.54,58 9.144,59 3.588,60 6.532,61 5.313,62 0.116,63 0.908,64 16.526,65 6.052,66 10.267,67 9.16,68 0.129,69 1.073,70 20.545,71 8.035,72 14.118,73 11.915,74 0.13,75 1.081,76 22.081,77 8.764,78 15.4,79 12.972,80 0.144,81 0.922,82 19.218,83 7.404,84 13.664,85 11.026,86 0.112,87 0.8,88 15.354,89 5.481,90 12.246,91 8.384,92 0.122,93 0.757,94 16.049,95 5.789,96 12.715,97 8.833,98 0.074,99 0.532,100 11.458,101 4.52,102 8.587,103 6.697,104 5,105 27,106 0.226,107 0.581,108 0.824,109 0.868,110 0.868,111 0.868,112 2.909,113 1.027,114 -3.78,115 -3.74,116 -3.55,119 40.5,120 1,121 3,124 1,125 1,127 1,140 3,141 3,149 1,150 1,169 8,172 3,176 3,178 9,182 1,186 3,189 9,193 1,197 1,199 6,203 1,206 1,208 2,211 4,215 2,220 1,222 3,226 2,233 4,244 2,259 293,260 11.516,261 11.516,262 11.516,263 11.516,264 11.516,265 10.334,266 12.329,267 6.706,268 11.68,269 9.376,270 9.376,271 9.376,272 9.376,273 9.376,274 7.602,275 12.824,276 3.19,277 9.636,278 3.974,279 2.037,280 0.71,281 0.473,282 0.473,283 0.473,284 3.583,288 1,289 1,290 241,291 2,294 72.462,295 38.598,298 59.108,302 1.087,303 5.286,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 35,315 111,316 4.552,317 3.227,318 6.558,319 4.094,320 3.109,321 4.503,322 0.8,323 10.405,324 3.065,325 3.837,326 2.998,327 6.038,328 3.741,329 2.791,330 3.082,332 8.623,333 2.651,334 3.607,335 2.457,336 5.145,337 3.235,338 2.24,339 2.837,341 6.152,342 2.226,343 3.292,344 2.064,345 4.949,346 2.877,347 1.9,348 2.582,350 5.681,351 1.853,352 2.722,353 1.455,354 4.21,355 2.317,356 1.343,357 1.818,359 3.675,360 1.306,361 2.351,362 1.255,363 3.967,364 2.141,365 1.178,366 1.333,368 3.115,369 1.131,370 2.142,371 1.154,372 3.417,373 2.077,374 1.097,375 1.124,377 2.386,378 1.073,379 2.06,380 0.794,381 3.25,382 1.664,383 0.7,384 0.946,386 1.664,387 0.674,388 1.139,389 0.121,390 2.754,391 0.894,392 -0.088,393 -0.101,395 -0.219,396 -0.086,397 0.783,398 -0.242,399 2.375,400 0.539,401 -0.443,402 -0.515,404 -1.046,405 -0.434,406 0.584,407 -0.521,408 2,409 0.175,410 -0.8,411 -0.904,413 -2.098,414 -0.773,415 0.228,416 -0.888,417 1.934,418 0.029,419 -0.942,420 -1.319,422 -2.743,423 -0.919,424 -0.041,425 -1.134,426 1.583,427 -0.326,428 -1.3,429 -1.492,431 -3.201,432 -1.258,433 -0.129,434 -1.32,435 1.531,436 -0.514,437 -1.49,438 -1.684,440 -3.915,441 -1.451,442 -0.421,443 -1.441,444 1.233,445 -0.708,446 -1.649,447 -1.801,449 -4.663,450 -1.545,451 8.3,452 0.488,453 0.435,454 0.026,455 18.75,456 1.103,457 8,458 0.471,459 10.75,460 0.632,461 14.365,462 0.845,463 18.7,464 0.505,465 10.105,466 0.594,467 3.454,468 0.203,469 4.784,470 0.281,471 0.12,473 0.349,479 1.111,480 1.354,481 0.984,482 1.13,483 1.072,484 1.063,485 1.459,486 1.036,487 0.984,488 0.912,489 0.811,490 0.916,491 1.168,492 1.137,493 1.182,494 1.164,495 1.004,496 1.172,497 0.808,498 1.043,499 1.018,500 1.072,501 1.036,502 1.061,503 0.607,504 0.805,505 0.716,506 0.779,507 0.656,508 0.759,509 1.576,510 1.339,511 1.343,512 1.294,513 1.615,514 1.302,515 1.293,516 0.88,517 1.051,518 0.923,519 1.218,520 0.963,521 0.903,522 0.85,523 1.038,524 0.978,525 0.981,526 1.01,527 3.5,529 2.222,530 1.174,531 0.683,532 0.417,533 0.234,534 0.141,535 0.061,537 2375,538 4029,539 2.127,540 54.1,541 3,542 9,543 1,545 1,547 6,550 1.57,551 2,552 2.771,553 -0.371,555 1,556 1,557 1,559 45.708,560 1.235,561 3.173,562 4.5,563 4.736,564 4.736,565 4.736,566 2.184,567 3.852,568 4.064,569 2.892,570 393.311,571 6.872,572 3518.5,573 1,574 1,576 1,577 192.75,578 1.379,579 4.023,580 0.184,582 0.082,583 0.051,584 0.038,585 0.023,586 0.016,587 0.014,588 0.01,590 0.419,591 1,592 1,593 0.604,594 69.387,595 0.06,596 -0.124,597 0.075,598 -0.014,599 0.029,600 0.024,601 -0.1,602 0.106,603 0.057,604 0.111,605 0.127,606 0.098,607 -0.163,608 -0.086,609 -0.19,610 -0.147,611 -0.055,612 -0.166,613 -0.015,614 -0.105,615 -0.065,616 -0.093,617 -0.091,618 -0.084,619 0.273,620 0.099,621 0.237,622 0.166,623 0.239,624 0.194,625 -0.229,626 -0.259,627 -0.327,628 -0.316,629 -0.39,630 -0.326,631 -0.157,632 0.049,633 -0.085,634 -0.008,635 -0.14,636 -0.036,637 -0.121,638 0.035,639 -0.102,640 -0.035,641 -0.09,642 -0.062,643 0.602,644 0.886,645 0.824,646 9.28,647 0.977,648 1.128,649 2.546,650 6.483,651 0.645,652 2.996,653 3.332,654 3.611,655 3.871,656 3.989,657 4.025,658 4.127,659 4.205,660 4.025,661 3.97,662 4.275,663 0.589,664 228.37,665 2.996,666 4.533,667 5.389,668 6.271,669 7.146,670 8.031,671 8.913,672 9.799,673 10.684,674 11.571,675 5.4,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 37,716 10,717 1,718 19,720 39,721 15,722 8,723 3,724 3,730 3,731 4,736 1,740 3,743 4,745 8,746 7,761 1,764 20,765 1,766 1,767 2,773 2,777 0.667,788 1,789 1,792 2,793 1,796 1,815 1,819 2,823 2,827 17,833 4,837 1,838 1,854 8.5,855 7.117,856 3.667,857 2.374,858 2.072,859 1.324,860 1.002,861 2.771,862 8.472,863 3.219,864 3.834,865 4.438,866 5.048,867 5.517,868 5.807,869 6.154,870 6.48,871 6.198,872 6.248,873 1,874 23,875 6.312,877 2.647,878 7.294,879 12.813,881 10.993,883 1.794,884 30.5,885 0.008,888 223.651,889 75.495,890 19.91,895 75.495,896 223.651,897 19.91,898 17.222,899 9.709,900 37.476,902 28.854,903 13.915,904 211.88,906 223.651,907 95.405,911 153.024,912 70.627,915 38.444,916 56.961,919 223.651,920 19.91,921 75.495,924 223.651,925 20.798,926 57.822,927 16.786,929 223.651,930 19.91,931 75.495,933 0.589,934 0.345,935 0.184,936 0.093,937 15,938 6,939 0.051,940 2,941 1,942 1.143,943 2.988,944 122.082,945 0.143,946 14,947 69.487,951 11.001,952 4.282,953 2.03,954 2.677,955 3.124,956 8.85,958 3.386,961 2.82,963 16.786,964 319.056,965 24,975 36.156,976 41.733,977 0.237,978 0.609,979 0.864,980 0.909,981 0.909,982 0.909,983 4.46,984 0.7,985 5.38,986 2.386,987 4.007,988 4.516,989 0.673,990 6.192,991 3.957,992 5.659,993 -0.088,994 6.94,995 1.664,996 3.611,997 4.388,998 0.325,999 7.081,1000 3.531,1001 6.968,1002 -0.443,1003 8.599,1004 -0.219,1005 5.602,1006 6.757,1007 0.379,1008 10.176,1009 5.504,1010 8.316,1011 -0.8,1012 10.315,1013 -1.046,1014 6.043,1015 7.519,1016 0.268,1017 11.911,1018 5.913,1019 9.7,1020 -0.942,1021 12.068,1022 -2.098,1023 7.496,1024 9.369,1025 0.239,1026 14.505,1027 7.354,1028 11.108,1029 -1.3,1030 13.847,1031 -2.743,1032 8.309,1033 10.542,1034 0.188,1035 16.584,1036 8.139,1037 12.537,1038 -1.49,1039 15.645,1040 -3.201,1041 9.553,1042 12.188,1043 0.156,1044 19.006,1045 9.37,1046 3.109,1047 -1.649,1048 17.458,1049 -3.915,1050 10.533,1051 13.549,1052 0.125,1053 21.23,1054 10.328,1055 2.791,1056 10.405,1057 19.281,1058 -4.663,1059 11.695,1060 15.112,1061 0.102,1062 23.591,1063 11.478,1064 2.24,1065 8.623,1066 21.113,1067 4.503,1068 12.75,1069 16.555,1070 0.082,1071 25.876,1072 12.515,1073 1.9,1074 6.152,1075 22.951,1076 3.082,1077 13.882,1078 18.084,1079 0.066,1080 28.218,1081 13.635,1082 1.343,1083 5.681,1084 24.795,1085 2.837,1086 14.97,1087 19.563,1088 0.054,1089 30.53,1090 14.71,1091 1.178,1092 3.675,1093 26.644,1094 2.582,1095 16.092,1096 21.077,1097 0.043,1098 32.866,1099 15.821,1100 1.097,1101 3.115,1102 28.497,1103 1.818,1104 17.198,1105 22.571,1106 0.035,1107 35.191,1108 16.914,1109 2319,1110 3083,1111 12.83,1112 23.864,1113 28.915,1114 28.651,1115 29.592,1116 28.712,1117 28.72,1118 36.449,1119 1.6,1120 83.403,1121 27.957,1122 5.485,1123 5.227,1124 6.076,1125 5.121,1126 5.109,1127 7.503,1128 1.2,1129 17.188,1130 5.065,1131 6.769,1132 1.522,1133 1.508,1134 1.557,1135 1.511,1136 1.512,1137 1.918,1138 0.084,1139 4.39,1140 1.471,1141 4.139,1142 4.174,1143 4.094,1144 4.06,1145 4.963,1146 4.064,1147 3.852,1148 3.918,1149 3.732,1150 3.704,1151 4.387,1152 3.701,1153 3.51,1154 3.57,1155 3.398,1156 3.392,1157 4.311,1158 3.386,1159 3.162,1160 3.252,1161 2.993,1162 3.008,1163 3.824,1164 2.994,1165 3.136,1166 3.239,1167 2.874,1168 2.899,1169 3.701,1170 2.877,1171 2.925,1172 3.021,1173 2.71,1174 2.766,1175 3.565,1176 2.742,1177 2.785,1178 2.877,1179 2.566,1180 2.583,1181 3.413,1182 2.567,1183 2.618,1184 2.741,1185 2.301,1186 2.385,1187 3.015,1188 2.348,1189 0.24,1190 0.17,1191 0.345,1192 0.215,1193 0.164,1194 4.552,1195 0.237,1196 3.227,1197 0.042,1198 6.558,1199 0.548,1200 4.094,1201 0.161,1202 3.109,1203 4.503,1204 0.8,1205 10.405,1206 3.065,1207 1.962,1208 1.939,1209 2.061,1210 2.036,1211 1.323,1212 2.045,1213 1.704,1214 1.65,1215 1.905,1216 1.878,1217 1.183,1218 1.887,1219 1.556,1220 1.48,1221 1.825,1222 1.767,1223 1.094,1224 1.795,1225 1.415,1226 1.341,1227 1.632,1228 1.651,1229 0.756,1230 1.653,1231 1.264,1232 1.196,1233 1.562,1234 1.456,1235 0.649,1236 1.497,1237 0.96,1238 0.848,1239 1.366,1240 1.23,1241 0.499,1242 1.286,1243 0.837,1244 0.759,1245 1.162,1246 1.065,1247 0.3,1248 1.107,1249 0.673,1250 0.561,1251 1.073,1252 0.933,1253 0.165,1254 0.988,1255 3.664,1257 4.99,1258 3.045,1259 6.497,1260 5.352,1261 8.087,1262 7.38,1263 9.724,1265 4.412,1271 5.129,1275 0.731,1276 2.495,1280 21.784,1281 45.708,1282 117.392,1283 166.485,1284 175.24,1285 175.24,1286 175.24,1287 17.315,1288 6.4,1289 19.03,1290 19.03,1291 16,1292 12.102,1293 3.459,1294 2.585,1295 23.702,1296 43,1297 35,1298 0.279,1299 134.354,1300 220.62,1301 319.585,1302 4297,1304 11.828,1305 0.696,1306 0.627,1307 11.828,1308 10.662,1309 8.237,1310 0.434,1311 0.342,1312 6.455,1313 8.062,1314 6.205,1315 5.183,1316 8.237,1317 6.507,1318 7.584,1319 0.281,1320 0.198,1321 7.584,1322 5.344,1323 6.469,1324 0.18,1325 0.112,1326 6.469,1327 4.05,1328 5.319,1329 0.113,1330 0.063,1331 5.319,1332 2.952,1333 3.963,1334 0.075,1335 0.035,1336 3.963,1337 1.865,1338 0.419,1339 50.537,1340 0.279,1341 16.879,1342 0.816,1343 92,1344 173.978,1345 95.802,1346 177.152,1347 253.84,1348 168,1349 109,1350 195.085,1351 113.496,1352 203.814,1353 296.57,1354 191,1355 8.456} {0 CHEMBL301757,1 1.216,2 6.412,3 3.157,4 9.966,5 73.935,6 5.907,7 0.556,8 3.705,9 3.859,10 3.07,11 3.242,12 4.653,13 3.165,14 4.264,15 4.493,16 3.446,17 3.67,18 5.074,19 3.572,20 4.497,21 4.711,22 3.483,23 3.873,24 5.345,25 3.725,26 4.724,27 5.016,28 3.365,29 3.887,30 5.436,31 3.686,32 4.563,33 4.851,34 3.167,35 3.71,36 5.284,37 3.499,38 4.427,39 4.725,40 3.042,41 3.53,42 5.13,43 3.328,44 4.287,45 4.573,46 2.649,47 3.357,48 5.034,49 3.124,50 4.294,51 4.655,52 2.076,53 3.116,54 4.898,55 2.759,56 0.056,57 0.551,58 9.68,59 3.763,60 8.825,61 5.639,62 0.106,63 0.882,64 16.427,65 6.304,66 12.36,67 9.474,68 0.105,69 1.093,70 20.562,71 8.559,72 18.771,73 12.509,74 0.141,75 1.206,76 24.667,77 9.87,78 23.497,79 14.634,80 0.149,81 1.029,82 21.096,83 8.343,84 20.631,85 12.362,86 0.117,87 0.888,88 18.357,89 6.791,90 17.322,91 10.381,92 0.141,93 0.78,94 16.302,95 5.384,96 18.268,97 8.563,98 0.092,99 0.655,100 15.122,101 5.754,102 18.57,103 8.709,104 31,105 27,106 0.221,107 0.563,108 0.735,109 0.757,110 0.757,111 0.757,112 2.91,113 1.036,114 -4.17,115 -4.11,116 -3.89,119 38.5,120 3,121 1,123 1,124 1,125 1,140 3,141 3,149 1,150 1,161 1,162 1,163 1,169 10,172 3,176 1,178 14,180 1,182 3,186 1,189 13,191 1,193 1,197 1,199 10,201 1,203 1,205 1,206 1,208 1,211 5,213 1,215 3,220 2,222 3,224 2,231 2,235 2,242 3,246 3,259 289,260 10.842,261 10.842,262 10.842,263 10.842,264 10.842,265 9.706,266 12.613,267 6.208,268 10.958,269 8.839,270 8.839,271 8.839,272 8.839,273 8.839,274 7.032,275 11.77,276 2.844,277 9.025,278 4.07,279 2.193,280 1.251,281 1.129,282 1.129,283 1.129,284 3.55,287 1,288 1,289 1,290 219,291 3.24,294 34.738,295 39.487,298 62.539,302 1.024,303 7.35,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 35,315 109,316 4.675,317 3.556,318 7.126,319 4.35,320 3.354,321 4.624,323 11.771,324 3.343,325 4.343,326 3.216,327 6.704,328 4.091,329 3.114,330 3.62,332 10.821,333 3.044,334 3.478,335 2.336,336 5.463,337 3.102,338 2.131,339 2.832,341 6.662,342 2.071,343 3.255,344 1.953,345 4.87,346 2.866,347 1.894,348 2.486,350 5.465,351 1.834,352 2.754,353 1.443,354 4.483,355 2.362,356 1.376,357 1.843,359 4.094,360 1.355,361 2.472,362 1.278,363 3.73,364 2.152,365 1.179,366 1.464,368 2.71,369 1.144,370 2.034,371 0.937,372 3.109,373 1.774,374 0.802,375 0.966,377 1.512,378 0.778,379 0.943,380 -0.046,381 2.837,382 0.623,383 -0.336,384 -0.387,386 -0.61,387 -0.32,388 0.778,389 -0.313,390 2.395,391 0.458,392 -0.5,393 -0.61,395 -1.208,396 -0.477,397 0.619,398 -0.67,399 2.237,400 0.237,401 -0.752,402 -1,404 -2.069,405 -0.742,406 0.121,407 -1,408 2,410 -1,411 -1,413 -2.918,414 -1,416 -1,417 2,419 -1,420 -1.013,422 -3,423 -1,425 -1.029,426 2,427 -0.186,428 -1.141,429 -1.416,431 -3,432 -1.091,433 -0.251,434 -1.282,435 1.583,436 -0.586,437 -1.548,438 -1.79,440 -4.487,441 -1.479,442 -0.358,443 -1.553,444 1.391,445 -0.76,446 -1.736,447 -2.194,449 -5.739,450 -1.702,451 8.3,452 0.488,453 0.655,454 0.039,455 18,456 1.059,457 8,458 0.471,459 10,460 0.588,461 16.058,462 0.945,463 19.3,464 0.495,465 10.858,466 0.639,467 3.194,468 0.188,469 4.737,470 0.279,471 0.289,472 0.06,473 0.289,479 1.235,480 1.318,481 1.082,482 1.16,483 1.503,484 1.119,485 1.213,486 0.853,487 0.853,488 0.781,489 0.73,490 0.791,491 0.866,492 1.268,493 1.197,494 1.295,495 0.948,496 1.273,497 0.756,498 1.007,499 0.972,500 1.031,501 0.701,502 1.018,503 0.737,504 1.092,505 1.063,506 1.141,507 0.906,508 1.127,509 0.931,510 1.146,511 0.985,512 1.069,513 0.735,514 1.037,515 2.035,516 1.189,517 1.511,518 1.26,519 1.577,520 1.335,521 0.596,522 1.033,523 0.932,524 1.045,525 0.869,526 1.016,527 5,529 2.667,530 1.826,531 0.933,532 0.896,533 0.472,534 0.122,537 1909,538 3391,539 1.914,540 56.4,541 9,542 8,543 1,545 2,547 2,550 1.576,551 1.714,552 2.714,553 0.295,555 1,557 1,559 47.42,560 1.216,561 3.093,562 4.034,563 4.156,564 4.156,565 4.156,566 2.184,567 3.572,568 4.057,569 2.818,570 383.29,571 6.891,572 3397.25,573 1,574 1,576 1,577 206.131,578 1.809,579 3.954,580 0.278,582 0.099,583 0.07,584 0.042,585 0.053,586 0.031,587 0.015,590 0.589,591 1,592 1,593 1.363,594 68.669,595 -0.022,596 -0.034,597 0.034,598 0.014,599 -0.287,600 0.025,601 -0.042,602 0.291,603 0.204,604 0.293,605 0.115,606 0.27,607 -0.09,608 -0.147,609 -0.174,610 -0.178,611 -0.118,612 -0.181,613 0.002,614 -0.045,615 -0.013,616 -0.03,617 -0.001,618 -0.024,619 0.098,620 -0.119,621 -0.097,622 -0.146,623 -0.037,624 -0.136,625 0.052,626 -0.187,627 -0.015,628 -0.107,629 0.146,630 -0.073,631 -0.456,632 -0.147,633 -0.49,634 -0.339,635 -0.309,636 -0.403,637 0.091,638 -0.238,639 -0.045,640 -0.161,641 0.116,642 -0.12,643 1.052,644 1.675,645 0.529,646 10.471,647 0.975,648 1.132,649 2.938,650 8.633,651 0.631,652 2.944,653 3.332,654 3.555,655 3.807,656 4.007,657 4.127,658 4.19,659 3.97,660 3.664,661 3.332,662 4.077,663 0.572,664 230.39,665 2.944,666 4.511,667 5.361,668 6.275,669 7.157,670 8.073,671 8.966,672 9.882,673 10.78,674 11.694,675 5.1,676 1,683 1,687 2,688 4,693 2,694 1,695 10,714 39,716 10,717 1,718 18,720 40,721 15,722 8,723 3,724 3,730 2,731 3,736 4,737 1,743 1,745 8,746 7,761 1,764 22,765 1,766 2,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,812 1,819 1,823 4,827 17,828 1,833 2,839 1,854 9.917,855 8.117,856 3.667,857 2.324,858 2.095,859 1.343,860 0.942,861 3.109,862 8.199,863 3.178,864 3.855,865 4.493,866 5.135,867 5.664,868 6.045,869 6.421,870 6.6,871 6.417,872 6.142,873 1,874 26,875 6.281,877 2.546,878 7.436,879 12.49,881 10.284,883 1.936,884 32.917,885 0.005,888 235.422,889 88.077,890 34.796,895 88.077,896 235.422,897 34.796,898 34.872,899 37.537,900 37.476,902 10.843,903 13.915,904 223.651,906 235.422,907 122.873,911 211.88,912 23.542,915 65.912,916 56.961,919 235.422,920 34.796,921 88.077,924 235.422,925 15.728,926 74.247,928 32.897,929 235.422,930 34.796,931 88.077,933 0.598,934 0.336,935 0.175,936 0.101,937 14,938 7,939 0.075,940 3,941 1,942 1.222,943 2.755,944 119.432,945 0.222,946 9,947 64.732,951 12.343,952 4.282,953 2.284,954 2.645,955 32.897,956 8.967,961 2.741,962 2.187,963 32.897,964 358.295,965 23,975 38.04,976 44.149,977 0.23,978 0.585,979 0.763,980 0.786,981 0.786,982 0.786,983 4.449,984 -0.336,985 5.442,986 1.512,987 4.007,988 4.538,990 6.358,991 3.971,992 5.726,993 -0.5,994 7.086,995 -0.61,996 4.007,997 4.663,999 7.687,1000 3.966,1001 7.096,1002 -0.752,1003 8.843,1004 -1.208,1005 5.778,1006 6.889,1008 10.691,1009 5.72,1010 8.505,1011 -1,1012 10.664,1013 -2.069,1014 6.524,1015 7.792,1017 12.747,1018 6.463,1019 9.945,1020 -1,1021 12.523,1022 -2.918,1023 7.899,1024 9.585,1026 15.366,1027 7.828,1028 11.406,1029 -1.141,1030 14.406,1031 -3,1032 8.925,1033 10.834,1035 17.671,1036 8.85,1037 12.883,1038 -1.548,1039 16.305,1040 -3,1041 10.174,1042 12.46,1044 20.171,1045 10.091,1046 3.354,1047 -1.736,1048 18.217,1049 -4.487,1050 11.303,1051 13.865,1053 22.565,1054 11.215,1055 3.114,1056 11.771,1057 20.137,1058 -5.739,1059 12.51,1060 15.427,1062 25.027,1063 12.416,1064 2.131,1065 10.821,1066 22.064,1067 4.624,1068 13.677,1069 16.901,1071 27.452,1072 13.579,1073 1.894,1074 6.662,1075 23.995,1076 3.62,1077 14.872,1078 18.44,1080 29.902,1081 14.77,1082 1.376,1083 5.465,1084 25.931,1085 2.832,1086 16.054,1087 19.944,1089 32.341,1090 15.948,1091 1.179,1092 4.094,1093 27.869,1094 2.486,1095 17.247,1096 21.475,1098 34.789,1099 17.136,1100 0.802,1101 2.71,1102 29.81,1103 1.843,1104 18.436,1105 22.993,1107 37.233,1108 18.322,1109 2058,1110 2799,1111 11.038,1112 24.625,1113 28.132,1114 27.757,1115 28.973,1116 27.704,1117 27.698,1118 35.672,1120 86.069,1121 27.137,1122 5.392,1123 5.556,1124 6.889,1125 5.35,1126 5.354,1127 7.624,1129 18.857,1130 5.343,1131 10.546,1132 1.563,1133 1.542,1134 1.61,1135 1.539,1136 1.539,1137 1.982,1139 4.782,1140 1.508,1141 4.156,1142 4.189,1143 4.116,1144 4.079,1145 5.021,1146 4.084,1147 3.74,1148 3.795,1149 3.626,1150 3.635,1151 4.897,1152 3.626,1153 3.505,1154 3.595,1155 3.334,1156 3.331,1157 4.393,1158 3.319,1159 3.306,1160 3.387,1161 3.137,1162 3.118,1163 4.065,1164 3.113,1165 3.042,1166 3.131,1167 2.87,1168 2.863,1169 3.858,1170 2.852,1171 2.874,1172 3.009,1173 2.517,1174 2.618,1175 3.477,1176 2.57,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.743,1184 2.828,1185 2.499,1186 2.58,1187 3.467,1188 2.552,1189 0.26,1190 0.198,1191 0.396,1192 0.242,1193 0.186,1194 4.675,1195 0.257,1196 3.556,1198 7.126,1199 0.654,1200 4.35,1201 0.186,1202 3.354,1203 4.624,1205 11.771,1206 3.343,1207 1.993,1208 1.97,1209 2.102,1210 2.069,1211 1.325,1212 2.08,1213 1.686,1214 1.632,1215 1.895,1216 1.876,1217 1.14,1218 1.881,1219 1.643,1220 1.582,1221 1.854,1222 1.815,1223 0.998,1224 1.84,1225 1.347,1226 1.256,1227 1.642,1228 1.6,1229 0.734,1230 1.62,1231 1.041,1232 0.961,1233 1.417,1234 1.276,1235 0.469,1236 1.309,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.348,1246 1.239,1247 0.417,1248 1.308,1249 0.724,1250 0.649,1251 1.068,1252 0.974,1253 0.127,1254 1.015,1255 3.611,1257 4.977,1258 2.398,1259 6.529,1260 4.844,1261 8.167,1262 7.018,1263 9.85,1265 8.845,1269 5.675,1271 1.657,1277 0.198,1280 22.311,1281 47.42,1282 120.621,1283 157.337,1284 162.092,1285 162.092,1286 162.092,1287 22.969,1288 6.105,1289 30.95,1290 30.95,1291 11,1292 12.21,1293 3.459,1294 2.585,1295 28.231,1296 41,1297 44,1298 0.365,1299 141.748,1300 232.98,1301 337.625,1302 2579,1304 12.629,1305 0.743,1306 0.662,1307 12.629,1308 11.248,1309 7.931,1310 0.441,1311 0.345,1312 6.173,1313 7.78,1314 5.787,1315 4.943,1316 7.931,1317 6.218,1318 7.965,1319 0.295,1320 0.214,1321 7.965,1322 5.786,1323 5.85,1324 0.172,1325 0.099,1326 5.85,1327 3.352,1328 4.794,1329 0.109,1330 0.052,1331 4.794,1332 2.295,1333 3.73,1334 0.069,1335 0.029,1336 3.73,1337 1.55,1338 0.536,1339 48.598,1340 0.301,1341 16.61,1342 1.111,1343 90,1344 166.957,1345 92.775,1346 173.11,1347 246.2,1348 162,1349 106,1350 190.239,1351 109.331,1352 202.239,1353 292.39,1354 187,1355 9.347} {0 CHEMBL302171,1 1.192,2 7.35,3 4.823,4 23.26,5 86.567,6 5.88,7 0.455,8 3.88,9 4.029,10 3.259,11 3.43,12 4.716,13 3.353,14 4.487,15 4.708,16 3.592,17 3.856,18 5.211,19 3.743,20 4.775,21 5.043,22 3.648,23 4.019,24 5.417,25 3.868,26 4.847,27 5.113,28 3.615,29 4.084,30 5.464,31 3.907,32 4.939,33 5.228,34 3.493,35 4.086,36 5.506,37 3.865,38 4.947,39 5.274,40 3.338,41 3.98,42 5.492,43 3.735,44 4.761,45 5.094,46 3.109,47 3.788,48 5.312,49 3.537,50 4.46,51 4.776,52 2.862,53 3.526,54 5.074,55 3.283,56 0.062,57 0.656,58 11.606,59 4.616,60 7.198,61 6.855,62 0.133,63 1.102,64 20.681,65 7.753,66 12.048,67 11.755,68 0.18,69 1.364,70 26.776,71 10.013,72 15.866,73 15.186,74 0.175,75 1.445,76 28.544,77 11.238,78 14.944,79 16.726,80 0.159,81 1.496,82 30.439,83 12.55,84 15.958,85 18.409,86 0.206,87 1.428,88 30.145,89 11.938,90 19.123,91 17.691,92 0.146,93 1.164,94 24.772,95 9.921,96 16.518,97 14.691,98 0.11,99 0.883,100 18.512,101 7.361,102 14.053,103 10.928,104 14,105 30,106 0.208,107 0.517,108 0.737,109 0.792,110 0.799,111 0.799,112 3.059,113 1.111,114 -4.9,115 -4.8,116 -4.51,119 39.1,120 2,121 5,125 2,127 1,140 3,141 3,149 1,150 1,169 10,172 4,176 3,178 11,182 4,186 2,189 11,193 2,197 2,199 10,203 2,208 1,211 11,215 1,218 1,220 1,222 9,233 8,242 2,244 6,254 2,256 2,259 426,260 14.016,261 14.016,262 14.016,263 14.016,264 14.016,265 12.859,266 13.555,267 8.503,268 14.189,269 10.811,270 10.811,271 10.811,272 10.811,273 10.811,274 9.04,275 15.648,276 3.844,277 11.105,278 4.332,279 2.56,280 1.299,281 0.989,282 0.946,283 0.946,284 3.742,288 1,289 1,290 315,291 3.082,294 36.573,295 76.782,298 61.886,299 65.666,302 1.15,303 6.101,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 41,315 147,316 4.593,317 3.341,318 6.722,319 4.174,320 3.183,321 4.525,322 0.8,323 10.959,324 3.154,325 3.907,326 3.008,327 6.13,328 3.734,329 2.788,330 3.292,332 9.012,333 2.639,334 3.66,335 2.53,336 5.695,337 3.341,338 2.367,339 2.76,341 7.552,342 2.3,343 3.183,344 1.97,345 4.769,346 2.768,347 1.778,348 2.476,350 5.064,351 1.759,352 2.675,353 1.692,354 4.419,355 2.59,356 1.613,357 1.711,359 4.284,360 1.573,361 2.636,362 1.315,363 3.79,364 2.237,365 1.247,366 1.666,368 2.858,369 1.233,370 2.247,371 1.298,372 3.427,373 2.205,374 1.224,375 1.247,377 2.117,378 1.199,379 2.092,380 0.914,381 3.247,382 1.812,383 0.834,384 0.993,386 2.058,387 0.814,388 1.974,389 0.789,390 3.178,391 1.684,392 0.71,393 0.852,395 1.46,396 0.691,397 1.645,398 0.56,399 2.813,400 1.478,401 0.501,402 0.592,404 0.925,405 0.489,406 0.892,407 -0.186,408 2.506,409 0.636,410 -0.349,411 -0.402,413 -0.632,414 -0.343,415 0.632,416 -0.287,417 2.258,418 0.521,419 -0.445,420 -0.445,422 -0.825,423 -0.428,424 0.555,425 -0.529,426 2.178,427 0.302,428 -0.688,429 -0.802,431 -1.797,432 -0.68,433 0.288,434 -0.901,435 1.87,436 0.03,437 -0.956,438 -1.062,440 -1.945,441 -0.941,442 -0.006,443 -1.079,444 1.555,445 -0.129,446 -1.122,447 -1.428,449 -3.038,450 -1.113,451 9.8,452 0.49,453 0.342,454 0.017,455 20.25,456 1.013,457 8,458 0.4,459 12.25,460 0.613,461 20.479,462 1.024,463 22.6,464 0.491,465 10.617,466 0.531,467 3.373,468 0.169,469 6.457,470 0.323,471 0.102,473 0.296,479 1.126,480 1.378,481 1.057,482 1.189,483 1.096,484 1.131,485 1.393,486 1.171,487 1.053,488 1.046,489 0.919,490 1.032,491 1.361,492 0.983,493 1.005,494 0.932,495 0.848,496 0.945,497 1.177,498 1.051,499 1.11,500 1.072,501 0.927,502 1.084,503 0.689,504 1.134,505 1.052,506 1.153,507 0.872,508 1.129,509 0.741,510 0.898,511 0.911,512 0.935,513 0.83,514 0.934,515 0.768,516 0.835,517 0.879,518 0.879,519 0.976,520 0.884,521 0.876,522 0.968,523 1,524 1.008,525 1.17,526 1.011,527 3,529 2.444,530 0.938,531 0.978,532 0.604,533 0.335,534 0.224,535 0.128,536 0.081,537 3481,538 5549,539 2.107,540 56.5,541 8,542 8,543 1,545 1,547 8,550 1.623,551 2,552 2.932,553 -0.419,559 54.814,560 1.192,561 2.964,562 4.224,563 4.534,564 4.578,565 4.578,566 2.261,567 3.409,568 4.293,569 3.05,570 579.49,571 7.359,572 5835.69,574 1,577 254.084,578 1.295,579 4.266,580 0.136,582 0.081,583 0.03,584 0.034,585 0.025,586 0.017,587 0.014,588 0.011,589 0.013,590 0.362,591 0.67,592 1,593 1.429,594 87.064,595 0.076,596 -0.107,597 0.069,598 -0.011,599 0.053,600 0.021,601 -0.036,602 -0.018,603 0.022,604 0.014,605 0.068,606 0.02,607 -0.083,608 0.077,609 0.023,610 0.065,611 0.058,612 0.053,613 -0.129,614 -0.009,615 -0.102,616 -0.055,617 -0.079,618 -0.073,619 0.013,620 -0.175,621 -0.093,622 -0.149,623 -0.05,624 -0.131,625 0.11,626 0.007,627 0.028,628 0.004,629 0.063,630 0.01,631 0.008,632 0.052,633 0.05,634 0.058,635 -0.022,636 0.057,637 -0.039,638 -0.047,639 -0.055,640 -0.054,641 -0.046,642 -0.055,643 0.595,644 0.85,645 0.65,646 13.16,647 0.974,648 1.13,649 3.668,650 13.457,651 0.634,652 3.135,653 3.434,654 3.761,655 4.06,656 4.277,657 4.394,658 4.543,659 4.663,660 4.644,661 4.533,662 4.726,663 0.573,664 270.46,665 3.135,666 4.654,667 5.517,668 6.402,669 7.29,670 8.185,671 9.081,672 9.98,673 10.88,674 11.781,675 4.3,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 46,716 10,717 1,718 22,720 48,721 18,722 8,723 4,724 2,730 3,731 6,736 2,740 4,743 6,745 8,746 10,764 26,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 20,833 7,837 1,838 1,854 10,855 8.617,856 4.611,857 3.406,858 2.108,859 1.308,860 0.981,861 4.231,862 8.963,863 3.332,864 3.897,865 4.523,866 5.137,867 5.613,868 5.98,869 6.354,870 6.711,871 6.672,872 6.788,873 0.8,874 31,875 7.448,877 3.073,878 7.25,879 15.262,881 12.981,883 1.75,884 35,885 0.004,888 294.278,889 83.099,890 19.91,895 83.099,896 294.278,897 19.91,898 17.65,899 16.884,900 37.476,902 28.854,903 13.915,904 282.506,906 294.278,907 103.009,911 200.109,912 94.169,915 54.444,916 48.564,919 294.278,920 19.91,921 83.099,924 294.278,925 27.972,926 58.251,927 16.786,929 294.278,930 19.91,931 83.099,933 0.558,934 0.343,935 0.204,936 0.111,937 15,938 6,939 0.104,940 5,941 2,942 1.308,943 3.216,944 153.427,945 0.308,946 13,947 80.439,951 13.847,952 6.11,953 2.709,954 2.738,955 3.124,956 8.893,958 3.35,961 3.165,963 16.786,964 397.286,965 27,975 44.807,976 51.979,977 0.216,978 0.537,979 0.765,980 0.821,981 0.829,982 0.829,983 4.559,984 0.834,985 5.485,986 2.117,987 4.111,988 4.58,989 0.673,990 6.319,991 4.062,992 5.729,993 0.71,994 7.05,995 2.058,996 3.611,997 4.388,998 0.325,999 7.273,1000 3.531,1001 7.031,1002 0.501,1003 8.723,1004 1.46,1005 5.707,1006 6.801,1007 0.379,1008 10.405,1009 5.61,1010 8.376,1011 -0.349,1012 10.46,1013 0.925,1014 6.111,1015 7.567,1016 0.268,1017 12.207,1018 5.99,1019 9.763,1020 -0.445,1021 12.238,1022 -0.632,1023 7.618,1024 9.417,1025 0.239,1026 14.836,1027 7.484,1028 11.179,1029 -0.688,1030 14.043,1031 -0.825,1032 8.429,1033 10.602,1034 0.188,1035 16.969,1036 8.279,1037 12.616,1038 -0.956,1039 15.866,1040 -1.797,1041 9.705,1042 12.244,1043 0.156,1044 19.433,1045 9.546,1046 3.183,1047 -1.122,1048 17.703,1049 -1.945,1050 10.699,1051 13.613,1052 0.125,1053 21.706,1054 10.53,1055 2.788,1056 10.959,1057 19.55,1058 -3.038,1059 11.885,1060 15.174,1061 0.102,1062 24.115,1063 11.709,1064 2.367,1065 9.012,1066 21.404,1067 4.525,1068 12.961,1069 16.623,1070 0.082,1071 26.448,1072 12.778,1073 1.778,1074 7.552,1075 23.265,1076 3.292,1077 14.116,1078 18.152,1079 0.066,1080 28.84,1081 13.928,1082 1.613,1083 5.064,1084 25.131,1085 2.76,1086 15.228,1087 19.636,1088 0.054,1089 31.202,1090 15.036,1091 1.247,1092 4.284,1093 27.001,1094 2.476,1095 16.374,1096 21.153,1097 0.043,1098 33.59,1099 16.177,1100 1.224,1101 2.858,1102 28.875,1103 1.711,1104 17.505,1105 22.651,1106 0.035,1107 35.966,1108 17.303,1109 3463,1110 4470,1111 14.909,1112 29.148,1113 32.68,1114 32.508,1115 33.834,1116 32.499,1117 32.49,1118 40.23,1119 1.6,1120 92.578,1121 31.701,1122 5.538,1123 5.341,1124 6.524,1125 5.187,1126 5.183,1127 7.525,1128 1.2,1129 18.173,1130 5.154,1131 7.936,1132 1.485,1133 1.478,1134 1.538,1135 1.477,1136 1.477,1137 1.829,1138 0.073,1139 4.208,1140 1.441,1141 4.153,1142 4.186,1143 4.106,1144 4.079,1145 4.968,1146 4.082,1147 3.816,1148 3.884,1149 3.701,1150 3.656,1151 4.392,1152 3.658,1153 3.605,1154 3.673,1155 3.461,1156 3.468,1157 4.239,1158 3.456,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.04,1164 3.32,1165 3.29,1166 3.354,1167 3.146,1168 3.177,1169 3.953,1170 3.162,1171 3.048,1172 3.143,1173 2.848,1174 2.875,1175 3.662,1176 2.855,1177 3.012,1178 3.104,1179 2.81,1180 2.815,1181 3.541,1182 2.804,1183 2.747,1184 2.833,1185 2.531,1186 2.576,1187 3.297,1188 2.553,1189 0.209,1190 0.152,1191 0.306,1192 0.19,1193 0.145,1194 4.593,1195 0.206,1196 3.341,1197 0.036,1198 6.722,1199 0.498,1200 4.174,1201 0.143,1202 3.183,1203 4.525,1204 0.8,1205 10.959,1206 3.154,1207 2.029,1208 2.004,1209 2.14,1210 2.114,1211 1.476,1212 2.125,1213 1.739,1214 1.674,1215 1.965,1216 1.925,1217 1.231,1218 1.94,1219 1.539,1220 1.471,1221 1.861,1222 1.747,1223 1.09,1224 1.785,1225 1.537,1226 1.459,1227 1.752,1228 1.738,1229 0.989,1230 1.751,1231 1.46,1232 1.405,1233 1.649,1234 1.614,1235 0.777,1236 1.637,1237 1.176,1238 1.1,1239 1.484,1240 1.395,1241 0.643,1242 1.432,1243 0.989,1244 0.885,1245 1.37,1246 1.246,1247 0.545,1248 1.295,1249 0.852,1250 0.777,1251 1.24,1252 1.062,1253 0.403,1254 1.131,1255 3.807,1257 5.106,1258 2.398,1259 6.624,1260 4.595,1261 8.252,1262 6.605,1263 9.941,1265 4.591,1271 8.807,1275 0.739,1276 2.717,1280 26.364,1281 54.814,1282 136.335,1283 194.309,1284 208.574,1285 210.574,1286 210.574,1287 23.455,1288 6.854,1289 19.03,1290 19.03,1291 17,1292 12.303,1293 3.459,1294 2.585,1295 29.803,1296 58,1297 54,1298 0.269,1299 163.131,1300 272.52,1301 389.801,1302 7434,1304 13.949,1305 0.697,1306 0.639,1307 13.949,1308 12.784,1309 9.83,1310 0.447,1311 0.37,1312 8.102,1313 9.658,1314 7.849,1315 6.577,1316 9.83,1317 8.15,1318 8.267,1319 0.276,1320 0.202,1321 8.267,1322 6.075,1323 7.25,1324 0.173,1325 0.111,1326 7.25,1327 4.668,1328 6.386,1329 0.112,1330 0.066,1331 6.386,1332 3.739,1333 5.075,1334 0.071,1335 0.039,1336 5.075,1337 2.753,1338 0.405,1339 60.009,1340 0.259,1341 19.52,1342 0.789,1343 104,1344 185.978,1345 108.135,1346 188.3,1347 273.92,1348 180,1349 124,1350 213.437,1351 128.663,1352 219.093,1353 324.59,1354 209,1355 6.357} {0 CHEMBL302172,1 1.192,2 7.35,3 4.823,4 23.26,5 86.567,6 5.88,7 0.455,8 3.88,9 4.029,10 3.259,11 3.43,12 4.716,13 3.353,14 4.487,15 4.708,16 3.592,17 3.856,18 5.211,19 3.743,20 4.775,21 5.043,22 3.648,23 4.019,24 5.417,25 3.868,26 4.847,27 5.113,28 3.615,29 4.084,30 5.464,31 3.907,32 4.939,33 5.228,34 3.493,35 4.086,36 5.506,37 3.865,38 4.947,39 5.274,40 3.338,41 3.98,42 5.492,43 3.735,44 4.761,45 5.094,46 3.109,47 3.788,48 5.312,49 3.537,50 4.46,51 4.776,52 2.862,53 3.526,54 5.074,55 3.283,56 0.062,57 0.656,58 11.606,59 4.616,60 7.198,61 6.855,62 0.133,63 1.102,64 20.681,65 7.753,66 12.048,67 11.755,68 0.18,69 1.364,70 26.776,71 10.013,72 15.866,73 15.186,74 0.175,75 1.445,76 28.544,77 11.238,78 14.944,79 16.726,80 0.159,81 1.496,82 30.439,83 12.55,84 15.958,85 18.409,86 0.206,87 1.428,88 30.145,89 11.938,90 19.123,91 17.691,92 0.146,93 1.164,94 24.772,95 9.921,96 16.518,97 14.691,98 0.11,99 0.883,100 18.512,101 7.361,102 14.053,103 10.928,104 14,105 30,106 0.208,107 0.517,108 0.737,109 0.792,110 0.799,111 0.799,112 3.059,113 1.111,114 -4.9,115 -4.8,116 -4.51,119 39.1,120 2,121 5,125 2,127 1,140 3,141 3,149 1,150 1,169 10,172 4,176 3,178 11,182 4,186 2,189 11,193 2,197 2,199 10,203 2,208 1,211 11,215 1,218 1,220 1,222 9,233 8,242 2,244 6,254 2,256 2,259 426,260 14.016,261 14.016,262 14.016,263 14.016,264 14.016,265 12.859,266 13.555,267 8.503,268 14.189,269 10.811,270 10.811,271 10.811,272 10.811,273 10.811,274 9.04,275 15.648,276 3.844,277 11.105,278 4.332,279 2.56,280 1.299,281 0.989,282 0.946,283 0.946,284 3.742,288 1,289 1,290 315,291 3.082,294 36.573,295 76.782,298 61.886,299 65.666,302 1.15,303 6.101,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 41,315 147,316 4.593,317 3.341,318 6.722,319 4.174,320 3.183,321 4.525,322 0.8,323 10.959,324 3.154,325 3.907,326 3.008,327 6.13,328 3.734,329 2.788,330 3.292,332 9.012,333 2.639,334 3.66,335 2.53,336 5.695,337 3.341,338 2.367,339 2.76,341 7.552,342 2.3,343 3.183,344 1.97,345 4.769,346 2.768,347 1.778,348 2.476,350 5.064,351 1.759,352 2.675,353 1.692,354 4.419,355 2.59,356 1.613,357 1.711,359 4.284,360 1.573,361 2.636,362 1.315,363 3.79,364 2.237,365 1.247,366 1.666,368 2.858,369 1.233,370 2.247,371 1.298,372 3.427,373 2.205,374 1.224,375 1.247,377 2.117,378 1.199,379 2.092,380 0.914,381 3.247,382 1.812,383 0.834,384 0.993,386 2.058,387 0.814,388 1.974,389 0.789,390 3.178,391 1.684,392 0.71,393 0.852,395 1.46,396 0.691,397 1.645,398 0.56,399 2.813,400 1.478,401 0.501,402 0.592,404 0.925,405 0.489,406 0.892,407 -0.186,408 2.506,409 0.636,410 -0.349,411 -0.402,413 -0.632,414 -0.343,415 0.632,416 -0.287,417 2.258,418 0.521,419 -0.445,420 -0.445,422 -0.825,423 -0.428,424 0.555,425 -0.529,426 2.178,427 0.302,428 -0.688,429 -0.802,431 -1.797,432 -0.68,433 0.288,434 -0.901,435 1.87,436 0.03,437 -0.956,438 -1.062,440 -1.945,441 -0.941,442 -0.006,443 -1.079,444 1.555,445 -0.129,446 -1.122,447 -1.428,449 -3.038,450 -1.113,451 9.8,452 0.49,453 0.342,454 0.017,455 20.25,456 1.013,457 8,458 0.4,459 12.25,460 0.613,461 20.479,462 1.024,463 22.6,464 0.491,465 10.617,466 0.531,467 3.373,468 0.169,469 6.457,470 0.323,471 0.102,473 0.296,479 1.126,480 1.378,481 1.057,482 1.189,483 1.096,484 1.131,485 1.393,486 1.171,487 1.053,488 1.046,489 0.919,490 1.032,491 1.361,492 0.983,493 1.005,494 0.932,495 0.848,496 0.945,497 1.177,498 1.051,499 1.11,500 1.072,501 0.927,502 1.084,503 0.689,504 1.134,505 1.052,506 1.153,507 0.872,508 1.129,509 0.741,510 0.898,511 0.911,512 0.935,513 0.83,514 0.934,515 0.768,516 0.835,517 0.879,518 0.879,519 0.976,520 0.884,521 0.876,522 0.968,523 1,524 1.008,525 1.17,526 1.011,527 3,529 2.444,530 0.938,531 0.978,532 0.604,533 0.335,534 0.224,535 0.128,536 0.081,537 3481,538 5549,539 2.107,540 56.5,541 8,542 8,543 1,545 1,547 8,550 1.623,551 2,552 2.932,553 -0.419,559 54.814,560 1.192,561 2.964,562 4.224,563 4.534,564 4.578,565 4.578,566 2.261,567 3.409,568 4.293,569 3.05,570 579.49,571 7.359,572 5835.69,574 1,577 254.084,578 1.295,579 4.266,580 0.136,582 0.081,583 0.03,584 0.034,585 0.025,586 0.017,587 0.014,588 0.011,589 0.013,590 0.362,591 0.67,592 1,593 1.429,594 87.064,595 0.076,596 -0.107,597 0.069,598 -0.011,599 0.053,600 0.021,601 -0.036,602 -0.018,603 0.022,604 0.014,605 0.068,606 0.02,607 -0.083,608 0.077,609 0.023,610 0.065,611 0.058,612 0.053,613 -0.129,614 -0.009,615 -0.102,616 -0.055,617 -0.079,618 -0.073,619 0.013,620 -0.175,621 -0.093,622 -0.149,623 -0.05,624 -0.131,625 0.11,626 0.007,627 0.028,628 0.004,629 0.063,630 0.01,631 0.008,632 0.052,633 0.05,634 0.058,635 -0.022,636 0.057,637 -0.039,638 -0.047,639 -0.055,640 -0.054,641 -0.046,642 -0.055,643 0.595,644 0.85,645 0.65,646 13.16,647 0.974,648 1.13,649 3.668,650 13.457,651 0.634,652 3.135,653 3.434,654 3.761,655 4.06,656 4.277,657 4.394,658 4.543,659 4.663,660 4.644,661 4.533,662 4.726,663 0.573,664 270.46,665 3.135,666 4.654,667 5.517,668 6.402,669 7.29,670 8.185,671 9.081,672 9.98,673 10.88,674 11.781,675 4.3,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 46,716 10,717 1,718 22,720 48,721 18,722 8,723 4,724 2,730 3,731 6,736 2,740 4,743 6,745 8,746 10,764 26,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 20,833 7,837 1,838 1,854 10,855 8.617,856 4.611,857 3.406,858 2.108,859 1.308,860 0.981,861 4.231,862 8.963,863 3.332,864 3.897,865 4.523,866 5.137,867 5.613,868 5.98,869 6.354,870 6.711,871 6.672,872 6.788,873 0.8,874 31,875 7.448,877 3.073,878 7.25,879 15.262,881 12.981,883 1.75,884 35,885 0.004,888 294.278,889 83.099,890 19.91,895 83.099,896 294.278,897 19.91,898 17.65,899 16.884,900 37.476,902 28.854,903 13.915,904 282.506,906 294.278,907 103.009,911 200.109,912 94.169,915 54.444,916 48.564,919 294.278,920 19.91,921 83.099,924 294.278,925 27.972,926 58.251,927 16.786,929 294.278,930 19.91,931 83.099,933 0.558,934 0.343,935 0.204,936 0.111,937 15,938 6,939 0.104,940 5,941 2,942 1.308,943 3.216,944 153.427,945 0.308,946 13,947 80.439,951 13.847,952 6.11,953 2.709,954 2.738,955 3.124,956 8.893,958 3.35,961 3.165,963 16.786,964 397.286,965 27,975 44.807,976 51.979,977 0.216,978 0.537,979 0.765,980 0.821,981 0.829,982 0.829,983 4.559,984 0.834,985 5.485,986 2.117,987 4.111,988 4.58,989 0.673,990 6.319,991 4.062,992 5.729,993 0.71,994 7.05,995 2.058,996 3.611,997 4.388,998 0.325,999 7.273,1000 3.531,1001 7.031,1002 0.501,1003 8.723,1004 1.46,1005 5.707,1006 6.801,1007 0.379,1008 10.405,1009 5.61,1010 8.376,1011 -0.349,1012 10.46,1013 0.925,1014 6.111,1015 7.567,1016 0.268,1017 12.207,1018 5.99,1019 9.763,1020 -0.445,1021 12.238,1022 -0.632,1023 7.618,1024 9.417,1025 0.239,1026 14.836,1027 7.484,1028 11.179,1029 -0.688,1030 14.043,1031 -0.825,1032 8.429,1033 10.602,1034 0.188,1035 16.969,1036 8.279,1037 12.616,1038 -0.956,1039 15.866,1040 -1.797,1041 9.705,1042 12.244,1043 0.156,1044 19.433,1045 9.546,1046 3.183,1047 -1.122,1048 17.703,1049 -1.945,1050 10.699,1051 13.613,1052 0.125,1053 21.706,1054 10.53,1055 2.788,1056 10.959,1057 19.55,1058 -3.038,1059 11.885,1060 15.174,1061 0.102,1062 24.115,1063 11.709,1064 2.367,1065 9.012,1066 21.404,1067 4.525,1068 12.961,1069 16.623,1070 0.082,1071 26.448,1072 12.778,1073 1.778,1074 7.552,1075 23.265,1076 3.292,1077 14.116,1078 18.152,1079 0.066,1080 28.84,1081 13.928,1082 1.613,1083 5.064,1084 25.131,1085 2.76,1086 15.228,1087 19.636,1088 0.054,1089 31.202,1090 15.036,1091 1.247,1092 4.284,1093 27.001,1094 2.476,1095 16.374,1096 21.153,1097 0.043,1098 33.59,1099 16.177,1100 1.224,1101 2.858,1102 28.875,1103 1.711,1104 17.505,1105 22.651,1106 0.035,1107 35.966,1108 17.303,1109 3463,1110 4470,1111 14.909,1112 29.148,1113 32.68,1114 32.508,1115 33.834,1116 32.499,1117 32.49,1118 40.23,1119 1.6,1120 92.578,1121 31.701,1122 5.538,1123 5.341,1124 6.524,1125 5.187,1126 5.183,1127 7.525,1128 1.2,1129 18.173,1130 5.154,1131 7.936,1132 1.485,1133 1.478,1134 1.538,1135 1.477,1136 1.477,1137 1.829,1138 0.073,1139 4.208,1140 1.441,1141 4.153,1142 4.186,1143 4.106,1144 4.079,1145 4.968,1146 4.082,1147 3.816,1148 3.884,1149 3.701,1150 3.656,1151 4.392,1152 3.658,1153 3.605,1154 3.673,1155 3.461,1156 3.468,1157 4.239,1158 3.456,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.04,1164 3.32,1165 3.29,1166 3.354,1167 3.146,1168 3.177,1169 3.953,1170 3.162,1171 3.048,1172 3.143,1173 2.848,1174 2.875,1175 3.662,1176 2.855,1177 3.012,1178 3.104,1179 2.81,1180 2.815,1181 3.541,1182 2.804,1183 2.747,1184 2.833,1185 2.531,1186 2.576,1187 3.297,1188 2.553,1189 0.209,1190 0.152,1191 0.306,1192 0.19,1193 0.145,1194 4.593,1195 0.206,1196 3.341,1197 0.036,1198 6.722,1199 0.498,1200 4.174,1201 0.143,1202 3.183,1203 4.525,1204 0.8,1205 10.959,1206 3.154,1207 2.029,1208 2.004,1209 2.14,1210 2.114,1211 1.476,1212 2.125,1213 1.739,1214 1.674,1215 1.965,1216 1.925,1217 1.231,1218 1.94,1219 1.539,1220 1.471,1221 1.861,1222 1.747,1223 1.09,1224 1.785,1225 1.537,1226 1.459,1227 1.752,1228 1.738,1229 0.989,1230 1.751,1231 1.46,1232 1.405,1233 1.649,1234 1.614,1235 0.777,1236 1.637,1237 1.176,1238 1.1,1239 1.484,1240 1.395,1241 0.643,1242 1.432,1243 0.989,1244 0.885,1245 1.37,1246 1.246,1247 0.545,1248 1.295,1249 0.852,1250 0.777,1251 1.24,1252 1.062,1253 0.403,1254 1.131,1255 3.807,1257 5.106,1258 2.398,1259 6.624,1260 4.595,1261 8.252,1262 6.605,1263 9.941,1265 4.591,1271 8.807,1275 0.739,1276 2.717,1280 26.364,1281 54.814,1282 136.335,1283 194.309,1284 208.574,1285 210.574,1286 210.574,1287 23.455,1288 6.854,1289 19.03,1290 19.03,1291 17,1292 12.303,1293 3.459,1294 2.585,1295 29.803,1296 58,1297 54,1298 0.269,1299 163.131,1300 272.52,1301 389.801,1302 7434,1304 13.949,1305 0.697,1306 0.639,1307 13.949,1308 12.784,1309 9.83,1310 0.447,1311 0.37,1312 8.102,1313 9.658,1314 7.849,1315 6.577,1316 9.83,1317 8.15,1318 8.267,1319 0.276,1320 0.202,1321 8.267,1322 6.075,1323 7.25,1324 0.173,1325 0.111,1326 7.25,1327 4.668,1328 6.386,1329 0.112,1330 0.066,1331 6.386,1332 3.739,1333 5.075,1334 0.071,1335 0.039,1336 5.075,1337 2.753,1338 0.405,1339 60.009,1340 0.259,1341 19.52,1342 0.789,1343 104,1344 185.978,1345 108.135,1346 188.3,1347 273.92,1348 180,1349 124,1350 213.437,1351 128.663,1352 219.093,1353 324.59,1354 209,1355 7.796} {0 CHEMBL302263,1 1.569,2 8.808,3 5.651,4 31.934,5 97.98,6 7.186,7 0.357,8 4.011,9 4.141,10 3.527,11 3.524,12 5.044,13 3.495,14 4.638,15 4.834,16 3.99,17 3.945,18 6.082,19 3.898,20 4.894,21 5.128,22 4.045,23 4.124,24 6.144,25 4.04,26 4.983,27 5.218,28 4.044,29 4.216,30 5.945,31 4.115,32 5.118,33 5.372,34 4.069,35 4.247,36 6.14,37 4.127,38 5.147,39 5.428,40 3.964,41 4.17,42 6.128,43 4.039,44 5.052,45 5.34,46 3.821,47 3.996,48 6.117,49 3.879,50 4.802,51 5.075,52 3.599,53 3.765,54 5.948,55 3.656,56 0.057,57 0.934,58 10.937,59 5.228,60 19.48,61 6.686,62 0.779,63 1.832,64 23.717,65 8.751,66 142.884,67 11.747,68 0.73,69 1.665,70 30.901,71 11.024,72 136.575,73 15.696,74 0.395,75 1.882,76 33.047,77 12.613,78 55.34,79 17.596,80 0.634,81 2.127,82 39.48,83 14.392,84 91.8,85 19.957,86 0.604,87 2.023,88 41.988,89 14.311,90 104.195,91 19.977,92 0.8,93 1.9,94 39.857,95 12.495,96 133.614,97 16.793,98 0.851,99 1.535,100 31.33,101 9.49,102 115.121,103 12.502,104 56,105 41,106 0.267,107 0.576,108 0.765,109 0.803,110 0.803,111 0.803,112 3.305,113 1,114 -5.04,115 -4.94,116 -4.63,119 39.2,120 2,121 5,125 2,127 1,131 1,140 2,141 4,149 1,150 1,155 1,169 10,172 5,176 3,178 11,182 5,186 2,189 11,193 3,195 1,197 2,199 10,203 5,208 1,211 11,215 3,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 6,249 2,254 2,256 2,259 990,260 17.195,261 17.195,262 17.195,263 17.195,264 17.195,265 15.992,266 17.277,267 10.019,268 17.587,269 13.729,270 13.729,271 13.729,272 13.729,273 13.729,274 11.729,275 18.419,276 4.55,277 14.437,278 4.104,279 2.284,280 1.172,281 0.946,282 0.946,283 0.946,284 3.98,289 1,290 473,291 4.359,294 49.368,295 106.677,298 84.261,299 91.042,302 1.299,303 41.984,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 58.5,315 229,316 4.752,317 4.574,318 7.269,319 4.377,320 3.429,321 4.673,322 3.904,323 12.454,324 3.314,325 4.358,326 3.414,327 6.837,328 4.077,329 3.154,330 3.623,331 0.8,332 11.093,333 2.905,334 3.928,335 3.135,336 6.166,337 3.748,338 2.81,339 3.273,340 0.766,341 9.124,342 2.617,343 3.68,344 2.952,345 5.85,346 3.402,347 2.44,348 2.774,350 7.988,351 2.322,352 3.371,353 2.539,354 5.289,355 2.941,356 1.983,357 2.661,359 6.248,360 1.869,361 2.963,362 1.98,363 4.726,364 2.644,365 1.662,366 2.086,368 4.824,369 1.614,370 2.673,371 1.7,372 4.417,373 2.574,374 1.593,375 1.681,377 4.25,378 1.556,379 2.475,380 1.598,381 3.901,382 2.237,383 1.247,384 1.376,386 2.36,387 1.233,388 2.247,389 1.298,390 3.655,391 1.964,392 0.976,393 1.247,395 2.164,396 0.946,397 2.116,398 0.915,399 3.28,400 1.81,401 0.834,402 0.973,404 2.117,405 0.812,406 1.986,407 0.854,408 3.247,409 1.666,410 0.677,411 0.819,413 1.421,414 0.665,415 1.649,416 0.669,417 2.84,418 1.486,419 0.487,420 0.597,422 0.936,423 0.482,424 0.892,425 0.51,426 2.582,427 0.637,428 -0.348,429 -0.4,431 -0.632,432 -0.343,433 0.772,434 0.51,435 2.502,436 0.521,437 -0.445,438 -0.445,440 -0.832,441 -0.428,442 0.555,443 -0.116,444 2.248,445 0.403,446 -0.597,447 -0.725,449 -1.633,450 -0.594,451 11.99,452 0.461,453 0.809,454 0.031,455 25.75,456 0.99,457 9.5,458 0.365,459 16.25,460 0.625,461 28.489,462 1.096,463 30.61,464 0.6,465 20.452,466 0.787,467 4.673,468 0.18,469 7.69,470 0.296,471 0.183,472 0.042,473 0.325,476 3,479 0.542,480 1.081,481 0.765,482 1.192,483 0.539,484 1.083,485 0.422,486 0.794,487 0.747,488 1.001,489 0.33,490 0.976,491 0.366,492 0.739,493 0.725,494 0.918,495 0.25,496 0.923,497 0.48,498 0.831,499 0.828,500 1.07,501 0.41,502 1.061,503 0.568,504 0.9,505 0.859,506 1.139,507 0.6,508 1.112,509 0.665,510 0.903,511 0.813,512 1.026,513 0.668,514 0.986,515 1.033,516 0.99,517 0.943,518 0.915,519 1.063,520 0.906,521 1.233,522 0.967,523 1.153,524 0.949,525 1.323,526 1.009,527 6,528 0.099,529 3.778,530 1.813,531 1.738,532 1.323,533 0.806,534 0.604,535 0.387,536 0.241,537 6495,538 18468,539 1.983,540 49,541 8,542 7,543 1,545 1,547 8,550 1.698,551 1.803,552 3.155,553 -0.332,559 80.004,560 1.569,561 3.388,562 4.5,563 4.726,564 4.726,565 4.726,566 2.519,567 4.287,568 4.67,569 3.294,570 1070.57,571 8.134,572 12909.2,577 289.294,578 1.717,579 4.592,580 0.214,581 0.01,582 0.092,583 0.041,584 0.039,585 0.032,586 0.022,587 0.019,588 0.016,589 0.013,590 0.499,591 0.5,592 1,593 1.569,594 124.377,595 -0.018,596 -0.063,597 0.03,598 -0.01,599 -0.051,600 0.017,601 0.355,602 0.229,603 0.152,604 0.063,605 0.395,606 0.051,607 0.216,608 0.046,609 0.15,610 0.083,611 0.294,612 0.097,613 0.032,614 -0.058,615 0.025,616 -0.052,617 0.062,618 -0.024,619 0.096,620 -0.065,621 0.041,622 -0.132,623 0.049,624 -0.086,625 0.029,626 -0.137,627 0.115,628 -0.071,629 0.02,630 0.018,631 -0.052,632 -0.08,633 0.06,634 0.022,635 -0.077,636 0.062,637 -0.053,638 0.107,639 -0.115,640 0.003,641 -0.148,642 -0.059,643 6.109,644 5.006,645 0.5,646 21.089,647 1.011,648 1.149,649 3.807,650 14.496,651 0.631,652 3.367,653 3.738,654 4.025,655 4.317,656 4.585,657 4.762,658 4.934,659 5.075,660 5.165,661 5.165,662 5.523,663 0.603,664 366.47,665 3.367,666 4.934,667 5.802,668 6.715,669 7.613,670 8.534,671 9.444,672 10.369,673 11.285,674 12.212,675 3.9,678 1,683 1,687 2,688 3,690 1,693 3,695 10,700 1,714 51,716 11,717 1,718 28,720 53,721 20,722 8,723 4,724 2,725 1,730 3,731 6,736 3,740 4,742 1,743 6,745 9,746 11,750 1,755 1,759 1,762 3,764 25,765 5,766 1,767 6,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,825 3,827 26,833 7,837 1,838 1,839 1,846 3,847 2,850 1,854 14.417,855 9.629,856 5.75,857 3.631,858 2.216,859 1.297,860 0.969,861 5.55,862 9.68,863 3.555,864 4.147,865 4.761,866 5.372,867 5.92,868 6.352,869 6.749,870 7.141,871 7.32,872 7.517,873 0.833,874 44,875 10.458,877 5.211,878 8.138,879 18.437,881 15.615,883 2.638,884 68.583,888 282.506,889 89.701,890 19.91,892 25.145,893 44.88,895 89.701,896 307.651,897 64.79,898 17.65,899 16.884,900 28,901 30.278,902 76.92,903 13.915,904 270.735,905 7.76,906 282.506,907 109.611,908 70.025,911 188.338,912 164.194,915 62.204,916 47.407,919 327.387,920 45.055,921 89.701,924 290.266,925 36.291,926 48.775,927 16.786,928 70.025,929 282.506,930 89.935,931 89.701,933 0.585,934 0.344,935 0.187,936 0.107,937 20,938 10,939 0.113,940 6,941 2,942 1.308,943 3.529,944 226.733,945 0.308,946 13,947 111.457,951 19.134,952 7.541,953 3.752,954 1.067,955 73.15,956 4.98,958 2.851,961 1.727,963 16.786,964 462.143,965 34,970 11.892,974 -1.766,975 51.556,976 58.623,977 0.277,978 0.597,979 0.793,980 0.833,981 0.833,982 0.833,983 4.84,984 1.247,985 5.849,986 4.25,987 4.419,988 4.832,989 3.221,990 6.76,991 4.331,992 6.068,993 0.976,994 7.482,995 2.36,996 4.29,997 4.868,998 3.911,999 8.019,1000 4.065,1001 7.414,1002 0.834,1003 9.227,1004 2.164,1005 6.155,1006 7.082,1007 5.529,1008 11.088,1009 5.965,1010 8.801,1011 0.677,1012 11.037,1013 2.117,1014 6.825,1015 7.962,1016 6.78,1017 13.107,1018 6.518,1019 10.224,1020 0.487,1021 12.887,1022 1.421,1023 8.234,1024 9.725,1025 8.184,1026 15.775,1027 7.935,1028 11.672,1029 -0.348,1030 14.763,1031 0.936,1032 9.221,1033 10.971,1034 9.529,1035 18.076,1036 8.839,1037 13.139,1038 -0.445,1039 16.658,1040 -0.632,1041 10.482,1042 12.581,1043 10.898,1044 20.624,1045 10.085,1046 3.429,1047 -0.597,1048 18.566,1049 -0.832,1050 11.596,1051 13.99,1052 12.257,1053 23.038,1054 11.142,1055 3.154,1056 12.454,1057 20.485,1058 -1.633,1059 12.812,1060 15.549,1061 13.62,1062 25.55,1063 12.332,1064 2.81,1065 11.093,1066 22.413,1067 4.673,1068 13.978,1069 17.03,1070 14.981,1071 28.013,1072 13.455,1073 2.44,1074 9.124,1075 24.347,1076 3.623,1077 15.182,1078 18.573,1079 16.343,1080 30.515,1081 14.631,1082 1.983,1083 7.988,1084 26.287,1085 3.273,1086 16.372,1087 20.086,1088 17.705,1089 33.001,1090 15.784,1091 1.662,1092 6.248,1093 28.232,1094 2.774,1095 17.577,1096 21.625,1097 19.067,1098 35.504,1099 16.96,1100 1.593,1101 4.824,1102 30.181,1103 2.661,1104 18.778,1105 23.153,1106 20.429,1107 38.001,1108 18.129,1109 6614,1110 11567,1111 17.8,1112 32.177,1113 43.252,1114 43.123,1115 44.843,1116 42.882,1117 42.585,1118 51.566,1119 10.939,1120 129.96,1121 40.667,1122 5.697,1123 6.574,1124 7.071,1125 5.395,1126 5.429,1127 7.673,1128 5.553,1129 20.38,1130 5.314,1131 15.887,1132 1.545,1133 1.54,1134 1.602,1135 1.531,1136 1.521,1137 1.842,1138 0.391,1139 4.641,1140 1.452,1141 4.171,1142 4.199,1143 4.135,1144 4.096,1145 8.516,1146 4.102,1147 3.827,1148 3.89,1149 3.729,1150 3.671,1151 7.999,1152 3.675,1153 3.65,1154 3.7,1155 3.597,1156 3.497,1157 7.999,1158 3.496,1159 3.511,1160 3.586,1161 3.427,1162 3.348,1163 7.419,1164 3.32,1165 3.501,1166 3.552,1167 3.279,1168 3.283,1169 4.932,1170 3.307,1171 3.259,1172 3.326,1173 3.136,1174 3.051,1175 4.383,1176 3.079,1177 3.044,1178 3.137,1179 2.85,1180 2.866,1181 4.232,1182 2.852,1183 3.007,1184 3.1,1185 2.825,1186 2.795,1187 4.04,1188 2.788,1189 0.17,1190 0.163,1191 0.26,1192 0.156,1193 0.122,1194 4.752,1195 0.167,1196 4.574,1197 0.139,1198 7.269,1199 0.445,1200 4.377,1201 0.118,1202 3.429,1203 4.673,1204 3.904,1205 12.454,1206 3.314,1207 2.033,1208 2.01,1209 2.139,1210 2.116,1211 1.479,1212 2.126,1213 1.741,1214 1.677,1215 1.965,1216 1.926,1217 1.233,1218 1.941,1219 1.59,1220 1.564,1221 1.861,1222 1.812,1223 1.09,1224 1.785,1225 1.539,1226 1.467,1227 1.752,1228 1.738,1229 1.001,1230 1.771,1231 1.529,1232 1.459,1233 1.672,1234 1.709,1235 0.791,1236 1.714,1237 1.179,1238 1.102,1239 1.484,1240 1.458,1241 0.692,1242 1.442,1243 1.105,1244 1.06,1245 1.372,1246 1.379,1247 0.552,1248 1.373,1249 0.986,1250 0.882,1251 1.24,1252 1.246,1253 0.403,1254 1.293,1255 4.043,1257 5.398,1258 2.398,1259 6.954,1260 4.727,1261 8.605,1262 6.862,1263 10.311,1265 4.286,1267 39.019,1271 6.625,1275 0.316,1276 2.444,1277 -4.859,1280 30.756,1281 80.004,1282 172.79,1283 229.519,1284 241.029,1285 241.029,1286 241.029,1287 64.674,1288 7.463,1289 36.1,1290 36.1,1291 17,1292 12.718,1293 3.585,1294 2.807,1295 43.983,1296 84,1297 90,1298 0.261,1299 186.98,1300 331.48,1301 447.99,1302 15652,1303 5.9,1304 18.897,1305 0.727,1306 0.586,1307 16.397,1308 15.249,1309 12.363,1310 0.442,1311 0.333,1312 9.2,1313 11.839,1314 8.996,1315 7.453,1316 11.151,1317 9.338,1318 11.645,1319 0.284,1320 0.173,1321 9.734,1322 7.088,1323 9.395,1324 0.171,1325 0.096,1326 8.243,1327 5.278,1328 7.716,1329 0.104,1330 0.056,1331 7.268,1332 4.163,1333 6.408,1334 0.066,1335 0.032,1336 6.023,1337 3.112,1338 0.394,1339 78.033,1340 0.237,1341 24.389,1342 0.766,1343 138,1344 534.047,1345 161.256,1346 434.466,1347 564.67,1348 402,1349 165,1350 392.073,1351 183.543,1352 377.852,1353 580.91,1354 356,1355 6.951} {0 CHEMBL302373,1 1.312,2 7.4,3 3.326,4 11.066,5 61.13,6 6.282,7 0.375,8 3.552,9 3.694,10 2.967,11 3.104,12 4.487,13 3.037,14 4.142,15 4.353,16 3.282,17 3.502,18 5.036,19 3.397,20 4.455,21 4.726,22 3.288,23 3.623,24 5.287,25 3.477,26 4.43,27 4.719,28 3.076,29 3.528,30 5.17,31 3.341,32 4.328,33 4.638,34 2.886,35 3.35,36 5.071,37 3.149,38 4.131,39 4.444,40 2.557,41 3.108,42 4.934,43 2.897,44 3.859,45 4.191,46 2.284,47 2.84,48 4.623,49 2.599,50 3.453,51 3.762,52 1.955,53 2.476,54 4.26,55 2.262,56 0.031,57 0.522,58 7.917,59 3.467,60 3.913,61 4.786,62 0.08,63 0.85,64 14.449,65 5.787,66 12.844,67 8.194,68 0.177,69 1.043,70 19.953,71 7.234,72 24.452,73 10.432,74 0.153,75 0.949,76 19.195,77 7.07,78 18.902,79 10.275,80 0.147,81 0.839,82 17.362,83 6.428,84 19.855,85 9.145,86 0.17,87 0.69,88 14.493,89 5.112,90 25.221,91 7.155,92 0.159,93 0.482,94 10.71,95 3.978,96 18.622,97 5.782,98 0.061,99 0.343,100 7.105,101 2.734,102 9.722,103 3.777,104 8,105 21,106 0.252,107 0.568,108 0.797,109 0.882,110 0.882,111 0.882,112 2.794,113 1.087,114 -5.02,115 -4.92,116 -4.61,119 39.4,120 1,121 4,125 1,127 1,140 3,141 2,142 1,169 8,176 3,178 10,186 3,189 8,197 2,199 4,208 2,211 5,222 4,233 4,244 2,259 191,260 10.232,261 10.232,262 10.232,263 10.232,264 10.232,265 9.455,266 13.41,267 6.316,268 10.36,269 7.886,270 7.886,271 7.886,272 7.886,273 7.886,274 6.715,275 16.189,276 2.991,277 8.117,278 3.732,279 2.085,280 0.894,281 0.447,282 0.447,283 0.447,284 3.447,288 1,289 1,290 230,291 2.236,295 67.497,299 57.792,302 1.36,303 12.383,306 1,307 1,308 1,309 0.9,310 1,311 1,312 1,313 0.99,314 32,315 111,316 4.283,317 3.207,318 6.211,319 3.95,320 2.958,321 3.911,322 0.4,323 9.336,324 2.933,325 3.569,326 2.78,327 5.288,328 3.345,329 2.389,330 2.834,332 6.809,333 2.279,334 3.25,335 2.405,336 4.918,337 2.968,338 2.028,339 2.316,341 5.659,342 1.886,343 2.922,344 1.895,345 4.41,346 2.618,347 1.618,348 2.058,350 4.373,351 1.618,352 2.424,353 1.514,354 3.457,355 2.391,356 1.412,357 1.423,359 2.651,360 1.38,361 1.942,362 0.857,363 3.267,364 1.735,365 0.741,366 0.865,368 1.733,369 0.735,370 1.402,371 0.602,372 2.629,373 1.296,374 0.341,375 0.353,377 0.593,378 0.323,379 1,380 0.248,381 2.375,382 0.764,383 -0.173,384 -0.193,386 -0.347,387 -0.157,388 0.688,389 -0.352,390 2.269,391 0.382,392 -0.618,393 -0.728,395 -1.64,396 -0.618,397 0.357,398 -0.454,399 2,400 0.171,401 -0.761,402 -0.828,404 -1.821,405 -0.692,406 0.031,407 -1.009,408 1.465,409 -0.174,410 -1.165,411 -1.242,413 -2.526,414 -1.129,415 -0.103,416 -1.12,417 1.107,418 -0.312,419 -1.234,420 -1.569,422 -3.491,423 -1.17,424 -0.453,425 -1.436,426 1.057,427 -0.688,428 -1.64,429 -1.815,431 -4.244,432 -1.577,433 -0.5,434 -1.649,435 0.727,436 -0.945,437 -1.895,438 -2.164,440 -5.046,441 -1.812,442 -0.867,443 -1.818,444 0.683,445 -1,446 -2,447 -2.221,449 -5.616,450 -2,451 7.186,452 0.479,453 0.294,454 0.02,455 14.75,456 0.983,457 6,458 0.4,459 8.75,460 0.583,461 12.778,462 0.852,463 17.414,464 0.528,465 7.562,466 0.504,467 2.603,468 0.174,469 4.689,470 0.313,471 0.109,473 0.278,477 1,479 0.594,480 1.082,481 0.936,482 1.151,483 0.522,484 1.105,485 0.652,486 1.068,487 0.966,488 1.138,489 0.493,490 1.105,491 0.913,492 0.952,493 1.001,494 0.977,495 0.784,496 0.99,497 0.712,498 0.935,499 0.991,500 1.047,501 0.63,502 1.055,503 0.823,504 0.964,505 0.9,506 0.98,507 0.847,508 0.96,509 1.299,510 0.978,511 1.095,512 0.941,513 1.362,514 0.978,515 0.474,516 0.648,517 0.787,518 0.847,519 0.615,520 0.87,521 0.905,522 1.01,523 0.953,524 1.038,525 1.044,526 1.017,527 3,529 1.333,530 0.625,531 0.867,532 0.201,533 0.202,534 0.102,535 0.057,536 0.036,537 1594,538 3459,539 2.032,540 54.5,541 5,542 6,545 1,547 6,550 1.527,551 1.915,552 2.898,553 -0.33,555 1,557 1,559 43.301,560 1.312,561 2.959,562 4.15,563 4.597,564 4.597,565 4.597,566 2.556,567 3.907,568 3.87,569 2.964,570 311.186,571 6.474,572 2512.09,574 1,577 166.465,578 1.338,579 3.843,580 0.188,582 0.063,583 0.031,584 0.058,585 0.017,586 0.025,587 0.017,588 0.014,589 0.018,590 0.431,591 0.83,592 1,593 1.429,594 58.827,595 -0.017,596 -0.002,597 0.028,598 0.03,599 -0.011,600 0.036,601 -0.007,602 -0.096,603 -0.015,604 -0.071,605 0.067,606 -0.049,607 -0.059,608 -0.013,609 -0.038,610 -0.008,611 -0.01,612 -0.016,613 -0.019,614 -0.093,615 -0.063,616 -0.1,617 -0.008,618 -0.09,619 0.01,620 -0.098,621 0.037,622 -0.045,623 -0.005,624 -0.01,625 -0.113,626 0.018,627 -0.109,628 -0.018,629 -0.132,630 -0.053,631 0.219,632 0.128,633 0.119,634 0.065,635 0.095,636 0.068,637 0.004,638 -0.112,639 -0.014,640 -0.091,641 -0.045,642 -0.064,643 1.77,644 4.979,645 0.667,646 9.813,647 0.987,648 1.139,649 3.79,650 14.367,651 0.63,652 2.833,653 3.091,654 3.296,655 3.526,656 3.784,657 3.714,658 3.738,659 3.714,660 3.611,661 2.996,662 4.276,663 0.58,664 207.32,665 2.833,666 4.317,667 5.13,668 5.979,669 6.819,670 7.676,671 8.528,672 9.388,673 10.245,674 11.107,675 3,677 1,688 3,693 3,695 6,713 1,714 33,716 6,717 1,718 16,720 34,721 13,722 6,723 3,724 3,730 2,731 3,736 1,740 4,743 5,745 6,746 7,761 1,762 1,764 18,765 2,766 1,767 2,773 1,777 0.5,793 2,797 1,814 1,819 1,823 1,825 1,827 15,833 5,834 1,837 1,846 1,854 7.833,855 5.976,856 3.444,857 2.334,858 1.233,859 1.211,860 0.954,861 3.372,862 7.088,863 2.996,864 3.481,865 3.937,866 4.417,867 4.92,868 4.91,869 4.988,870 5.129,871 5.218,872 4.657,873 1,874 20,875 5.595,876 -0.001,877 2.317,878 7.656,879 11.087,881 9.219,883 2.156,884 32.333,885 0.008,888 200.109,889 64.99,890 18.011,893 14.96,895 64.99,896 200.109,897 32.971,898 8.825,899 12.244,900 46.439,902 15.492,903 14.96,904 200.109,906 200.109,907 83.001,908 14.96,911 144.442,912 70.627,915 39.08,916 43.921,919 215.069,920 18.011,921 64.99,924 200.109,925 27.736,926 37.254,927 18.011,928 14.96,929 200.109,930 32.971,931 64.99,933 0.558,934 0.312,935 0.17,936 0.106,937 10,938 4,939 0.088,940 3,941 1,942 1.2,943 2.781,944 93.634,945 0.2,946 10,947 58.603,951 10.629,952 4.759,953 2.57,955 32.971,956 5.191,961 2.412,963 18.011,964 298.07,965 19,975 32.567,976 37.575,977 0.26,978 0.587,979 0.823,980 0.911,981 0.911,982 0.911,983 4.197,984 -0.173,985 5.081,986 0.593,987 3.761,988 4.159,989 0.278,990 5.82,991 3.709,992 5.339,993 -0.618,994 6.589,995 -0.347,996 3.219,997 3.861,999 6.555,1000 3.118,1001 6.606,1002 -0.761,1003 8.195,1004 -1.64,1005 5.273,1006 6.211,1007 0.05,1008 9.621,1009 5.183,1010 7.906,1011 -1.165,1012 9.857,1013 -1.821,1014 5.525,1015 6.723,1017 11.174,1018 5.404,1019 9.24,1020 -1.234,1021 11.556,1022 -2.526,1023 7.05,1024 8.584,1025 0.008,1026 13.741,1027 6.939,1028 10.598,1029 -1.64,1030 13.281,1031 -3.491,1032 7.708,1033 9.49,1035 15.662,1036 7.582,1037 11.975,1038 -1.895,1039 15.024,1040 -4.244,1041 8.99,1042 11.125,1043 0.001,1044 18.034,1045 8.868,1046 2.958,1047 -2,1048 16.782,1049 -5.046,1050 9.86,1051 12.237,1053 20.125,1054 9.731,1055 2.389,1056 9.336,1057 18.551,1058 -5.616,1059 11.028,1060 13.755,1062 22.418,1063 10.901,1064 2.028,1065 6.809,1066 20.331,1067 3.911,1068 12.005,1069 14.977,1071 24.586,1072 11.873,1073 1.618,1074 5.659,1075 22.117,1076 2.834,1077 13.123,1078 16.43,1080 26.845,1081 12.989,1082 1.412,1083 4.373,1084 23.911,1085 2.316,1086 14.153,1087 17.713,1089 29.049,1090 14.015,1091 0.741,1092 2.651,1093 25.71,1094 2.058,1095 15.249,1096 19.129,1098 31.293,1099 15.108,1100 0.341,1101 1.733,1102 27.513,1103 1.423,1104 16.307,1105 20.446,1107 33.513,1108 16.16,1109 1664,1110 2534,1111 10.633,1112 20.796,1113 22.957,1114 23.344,1115 23.609,1116 23.042,1117 22.973,1118 27.523,1119 0.8,1120 62.307,1121 22.31,1122 5.228,1123 5.207,1124 6.074,1125 4.95,1126 4.958,1127 6.911,1128 0.8,1129 15.759,1130 4.933,1131 6.513,1132 1.435,1133 1.459,1134 1.476,1135 1.44,1136 1.436,1137 1.72,1138 0.05,1139 3.894,1140 1.394,1141 4.014,1142 4.049,1143 3.949,1144 3.946,1145 8.201,1146 3.941,1147 3.672,1148 3.743,1149 3.54,1150 3.511,1151 4.644,1152 3.506,1153 3.479,1154 3.547,1155 3.31,1156 3.344,1157 4.293,1158 3.325,1159 3.147,1160 3.232,1161 2.961,1162 3,1163 3.978,1164 2.981,1165 2.978,1166 3.075,1167 2.825,1168 2.751,1169 3.754,1170 2.751,1171 2.73,1172 2.811,1173 2.523,1174 2.573,1175 3.531,1176 2.548,1177 2.673,1178 2.765,1179 2.443,1180 2.471,1181 3.277,1182 2.449,1183 2.242,1184 2.406,1185 1.879,1186 1.871,1187 3.052,1188 1.842,1189 0.268,1190 0.2,1191 0.388,1192 0.247,1193 0.185,1194 4.283,1195 0.244,1196 3.207,1197 0.025,1198 6.211,1199 0.583,1200 3.95,1201 0.183,1202 2.958,1203 3.911,1204 0.4,1205 9.336,1206 2.933,1207 1.994,1208 1.965,1209 2.123,1210 2.091,1211 1.437,1212 2.103,1213 1.659,1214 1.591,1215 1.92,1216 1.855,1217 1.153,1218 1.879,1219 1.492,1220 1.43,1221 1.722,1222 1.664,1223 0.905,1224 1.689,1225 1.169,1226 1.095,1227 1.485,1228 1.386,1229 0.759,1230 1.426,1231 0.965,1232 0.866,1233 1.348,1234 1.241,1235 0.496,1236 1.281,1237 0.756,1238 0.68,1239 1.091,1240 0.962,1241 0.271,1242 1.009,1243 0.674,1244 0.59,1245 1.001,1246 0.925,1247 0.1,1248 0.952,1249 0.256,1250 0.092,1251 0.819,1252 0.664,1254 0.724,1255 3.497,1257 4.762,1259 6.24,1261 7.824,1263 9.465,1265 2.18,1267 12.979,1271 5.453,1272 3.533,1275 0.586,1280 19.146,1281 43.301,1282 97.652,1283 136.955,1284 151.71,1285 151.71,1286 151.71,1287 22.167,1288 5.855,1289 12.03,1290 12.03,1291 12,1292 11.657,1293 2.807,1294 2,1295 23.706,1296 39,1297 42,1298 0.327,1299 119.894,1300 206.99,1301 284.302,1302 2052,1303 3,1304 10.673,1305 0.712,1306 0.615,1307 9.803,1308 9.223,1309 7.292,1310 0.456,1311 0.362,1312 5.753,1313 7.102,1314 5.602,1315 4.678,1316 6.898,1317 5.8,1318 6.26,1319 0.298,1320 0.205,1321 5.626,1322 4.307,1323 4.95,1324 0.19,1325 0.118,1326 4.614,1327 3.08,1328 3.976,1329 0.12,1330 0.068,1331 3.726,1332 2.246,1333 3.468,1334 0.081,1335 0.041,1336 3.165,1337 1.749,1338 0.497,1339 45.072,1340 0.307,1341 15.267,1342 0.931,1343 74,1344 210.444,1345 79.552,1346 181.599,1347 241.17,1348 170,1349 84,1350 169.742,1351 88.575,1352 167.887,1353 243.19,1354 159,1355 6.233} {0 CHEMBL303021,1 1.325,2 7.429,3 5.487,4 30.11,5 91.371,6 6.628,7 0.435,8 3.887,9 4.028,10 3.364,11 3.458,12 4.748,13 3.381,14 4.494,15 4.707,16 3.738,17 3.892,18 5.26,19 3.781,20 4.786,21 5.041,22 3.865,23 4.065,24 5.499,25 3.919,26 4.857,27 5.112,28 3.828,29 4.131,30 5.532,31 3.96,32 4.952,33 5.226,34 3.743,35 4.144,36 5.591,37 3.929,38 4.961,39 5.272,40 3.565,41 4.029,42 5.578,43 3.789,44 4.772,45 5.093,46 3.354,47 3.84,48 5.376,49 3.596,50 4.482,51 4.773,52 3.186,53 3.611,54 5.187,55 3.374,56 0.053,57 0.645,58 11.184,59 4.58,60 6.59,61 6.658,62 0.134,63 1.086,64 21.442,65 7.941,66 12.805,67 11.682,68 0.247,69 1.34,70 30.635,71 10.475,72 20.515,73 15.391,74 0.203,75 1.423,76 32.191,77 11.798,78 17.973,79 17.01,80 0.205,81 1.469,82 36.836,83 13.482,84 20.851,85 19.077,86 0.31,87 1.407,88 38.068,89 12.931,90 25.788,91 18.526,92 0.194,93 1.151,94 30.418,95 10.77,96 20.015,97 15.396,98 0.168,99 0.858,100 25.081,101 8.219,102 18.218,103 11.566,104 19,105 32,106 0.231,107 0.54,108 0.756,109 0.799,110 0.799,111 0.799,112 3.105,113 1.126,114 -5.4,115 -5.28,116 -4.93,119 39.1,120 2,121 5,125 2,127 1,140 2,141 3,142 1,149 1,150 1,169 9,172 4,176 2,178 11,182 4,186 3,189 9,193 2,197 2,199 11,203 1,208 1,211 12,215 2,218 1,220 1,222 10,233 6,242 2,244 6,254 2,256 4,259 507,260 14.516,261 14.516,262 14.516,263 14.516,264 14.516,265 13.314,266 15.157,267 8.69,268 14.795,269 11.284,270 11.284,271 11.284,272 11.284,273 11.284,274 9.434,275 17.26,276 3.927,277 11.81,278 4.199,279 2.429,280 1.196,281 0.946,282 0.946,283 0.946,284 3.785,285 1,288 1,289 1,290 332,291 3.162,294 38.404,295 80.986,298 65.055,299 69.256,302 1.17,303 9.578,306 0.75,307 1,308 1,309 1,310 1,311 1,312 1,313 0.96,314 43.333,315 156,316 4.675,317 3.446,318 6.896,319 4.232,320 3.255,321 4.633,322 0.8,323 11.543,324 3.178,325 3.95,326 3.094,327 6.159,328 3.763,329 2.821,330 3.348,332 9.103,333 2.654,334 3.686,335 2.777,336 5.801,337 3.399,338 2.441,339 2.79,341 7.84,342 2.326,343 3.349,344 2.201,345 4.992,346 2.86,347 1.92,348 2.686,350 5.559,351 1.795,352 2.879,353 1.939,354 4.566,355 2.6,356 1.631,357 2.006,359 4.509,360 1.576,361 2.673,362 1.688,363 4.397,364 2.494,365 1.548,366 1.68,368 4.162,369 1.394,370 2.247,371 1.298,372 3.687,373 2.237,374 1.247,375 1.247,377 2.165,378 1.233,379 2.245,380 0.967,381 3.289,382 1.82,383 0.834,384 1.146,386 2.117,387 0.819,388 1.996,389 0.911,390 3.247,391 1.758,392 0.824,393 0.938,395 1.817,396 0.754,397 1.652,398 0.721,399 2.835,400 1.565,401 0.597,402 0.627,404 0.975,405 0.569,406 0.893,407 0.138,408 2.542,409 0.639,410 -0.342,411 -0.388,413 -0.632,414 -0.27,415 0.885,416 -0.202,417 2.345,418 0.521,419 -0.408,420 -0.445,422 -0.827,423 -0.347,424 0.555,425 -0.287,426 2.232,427 0.462,428 -0.445,429 -0.496,431 -1.007,432 -0.428,433 0.289,434 -0.617,435 2,436 0.055,437 -0.899,438 -1.007,440 -1.857,441 -0.782,442 0.239,443 -0.903,444 1.869,445 -0.073,446 -1,447 -1.086,449 -2.681,450 -0.948,451 10.514,452 0.501,453 0.431,454 0.021,455 21,456 1,457 8,458 0.381,459 13,460 0.619,461 22.918,462 1.091,463 23.686,464 0.515,465 11.168,466 0.532,467 3.46,468 0.165,469 6.78,470 0.323,471 0.163,473 0.323,479 0.808,480 1.375,481 0.759,482 1.076,483 0.733,484 1.06,485 0.971,486 1.164,487 0.762,488 0.94,489 0.628,490 0.961,491 0.973,492 0.985,493 0.828,494 0.888,495 0.695,496 0.904,497 0.946,498 1.043,499 0.89,500 0.992,501 0.75,502 1.03,503 0.808,504 1.132,505 0.996,506 1.121,507 0.909,508 1.111,509 0.78,510 0.909,511 0.944,512 0.975,513 0.909,514 0.961,515 0.767,516 0.832,517 0.817,518 0.855,519 0.873,520 0.87,521 1.22,522 0.966,523 1.249,524 1.072,525 1.432,526 1.053,527 3.5,529 2.667,530 1.41,531 1.098,532 0.694,533 0.457,534 0.286,535 0.177,536 0.081,537 3852,538 7492,539 2.074,540 54.3,541 8,542 7,543 1,545 1,547 8,550 1.638,551 1.938,552 2.934,553 -0.385,559 60.929,560 1.325,561 3.094,562 4.327,563 4.578,564 4.578,565 4.578,566 2.244,567 4.107,568 4.363,569 3.067,570 644.125,571 7.506,572 6710.59,577 254.084,578 1.418,579 4.322,580 0.152,582 0.083,583 0.041,584 0.034,585 0.026,586 0.021,587 0.016,588 0.013,589 0.01,590 0.396,591 0.5,592 1,593 1.466,594 92.911,595 0.018,596 -0.106,597 0.034,598 -0.01,599 0.009,600 0.019,601 -0.023,602 -0.009,603 0.054,604 0.052,605 0.091,606 0.049,607 0.054,608 0.077,609 0.075,610 0.082,611 0.127,612 0.076,613 -0.067,615 -0.018,616 -0.009,617 0.013,618 -0.038,619 -0.003,620 -0.173,621 -0.05,622 -0.124,623 -0.029,624 -0.116,625 0.115,626 -0.002,627 0.007,628 -0.023,629 0.016,630 -0.005,631 0.016,632 0.06,633 0.07,634 0.087,635 -0.014,636 0.082,637 -0.098,638 -0.049,639 -0.096,640 -0.075,641 -0.146,642 -0.076,643 0.792,644 2.303,645 0.619,646 14.082,647 0.981,648 1.129,649 4.169,650 17.378,651 0.652,652 3.178,653 3.497,654 3.829,655 4.143,656 4.369,657 4.477,658 4.644,659 4.779,660 4.779,661 4.663,662 4.812,663 0.591,664 304.9,665 3.178,666 4.71,667 5.58,668 6.475,669 7.371,670 8.277,671 9.181,672 10.091,673 11,674 11.912,675 4.3,678 1,683 1,687 2,688 3,690 1,693 3,695 10,713 1,714 46,716 10,717 1,718 23,720 48,721 18,722 8,723 4,724 2,730 3,731 6,732 1,736 2,740 4,743 6,745 8,746 10,764 25,765 1,766 1,767 3,768 1,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,824 1,827 21,833 7,837 1,838 1,846 1,854 10.833,855 8.676,856 4.806,857 3.393,858 2.119,859 1.303,860 0.98,861 4.677,862 9.102,863 3.367,864 3.956,865 4.594,866 5.225,867 5.72,868 6.072,869 6.471,870 6.841,871 6.862,872 6.907,873 0.8,874 34,875 7.809,877 3.246,878 7.347,879 15.823,881 13.463,883 1.847,884 38.778,885 0.002,888 282.506,889 77.123,890 19.91,891 39.149,895 77.123,896 321.655,897 19.91,898 17.65,899 16.884,900 28,902 32.355,903 13.915,904 270.735,905 39.149,906 282.506,907 97.033,909 39.149,911 188.338,912 94.169,915 54.444,916 42.589,917 39.149,919 282.506,920 19.91,921 116.272,924 282.506,925 31.473,926 48.775,927 16.786,928 39.149,929 282.506,930 19.91,931 116.272,933 0.566,934 0.348,935 0.207,936 0.114,937 16,938 7,939 0.104,940 5,941 2,942 1.308,943 3.249,944 166.046,945 0.308,946 13,947 86.239,951 15.079,952 6.513,953 2.896,954 2.434,955 3.124,956 6.382,958 3.287,961 3.848,963 16.786,964 418.688,965 28,975 45.131,976 51.923,977 0.24,978 0.56,979 0.783,980 0.829,981 0.829,982 0.829,983 4.61,984 0.834,985 5.565,986 2.165,987 4.174,988 4.64,989 0.673,990 6.422,991 4.089,992 5.798,993 0.824,994 7.148,995 2.117,996 3.761,997 4.543,998 0.325,999 7.427,1000 3.599,1001 7.114,1002 0.597,1003 8.837,1004 1.817,1005 5.796,1006 6.892,1007 0.379,1008 10.57,1009 5.643,1010 8.474,1011 -0.342,1012 10.588,1013 0.975,1014 6.256,1015 7.72,1016 0.268,1017 12.43,1018 6.045,1019 9.875,1020 -0.408,1021 12.381,1022 -0.632,1023 7.739,1024 9.548,1025 0.239,1026 15.087,1027 7.528,1028 11.304,1029 -0.445,1030 14.2,1031 -0.827,1032 8.592,1033 10.782,1034 0.188,1035 17.287,1036 8.339,1037 12.755,1038 -0.899,1039 16.04,1040 -1.007,1041 9.866,1042 12.423,1043 0.156,1044 19.79,1045 9.603,1046 3.255,1047 -1,1048 17.895,1049 -1.857,1050 10.894,1051 13.832,1052 0.125,1053 22.129,1054 10.6,1055 2.821,1056 11.543,1057 19.761,1058 -2.681,1059 12.09,1060 15.403,1061 0.102,1062 24.584,1063 11.782,1064 2.441,1065 9.103,1066 21.636,1067 4.633,1068 13.194,1069 16.885,1070 0.082,1071 26.982,1072 12.862,1073 1.92,1074 7.84,1075 23.519,1076 3.348,1077 14.366,1078 18.431,1079 0.066,1080 29.424,1081 14.017,1082 1.631,1083 5.559,1084 25.409,1085 2.79,1086 15.504,1087 19.943,1088 0.054,1089 31.846,1090 15.133,1091 1.548,1092 4.509,1093 27.304,1094 2.686,1095 16.67,1096 21.48,1097 0.043,1098 34.287,1099 16.281,1100 1.247,1101 4.162,1102 29.203,1103 2.006,1104 17.825,1105 23.004,1106 0.035,1107 36.721,1108 17.416,1109 3861,1110 5543,1111 15.315,1112 30.006,1113 34.354,1114 34.501,1115 36.086,1116 34.413,1117 34.237,1118 42.2,1119 1.6,1120 99.58,1121 32.596,1122 5.62,1123 5.446,1124 6.698,1125 5.247,1126 5.255,1127 7.633,1128 1.2,1129 18.812,1130 5.178,1131 9.853,1132 1.494,1133 1.5,1134 1.569,1135 1.496,1136 1.489,1137 1.835,1138 0.07,1139 4.33,1140 1.417,1141 4.156,1142 4.185,1143 4.185,1144 4.087,1145 5.061,1146 4.089,1147 3.817,1148 3.884,1149 3.749,1150 3.661,1151 4.534,1152 3.662,1153 3.607,1154 3.673,1155 3.545,1156 3.474,1157 4.333,1158 3.461,1159 3.501,1160 3.586,1161 3.324,1162 3.348,1163 4.18,1164 3.32,1165 3.294,1166 3.354,1167 3.279,1168 3.191,1169 4.04,1170 3.174,1171 3.049,1172 3.143,1173 3.027,1174 2.878,1175 3.898,1176 2.856,1177 3.014,1178 3.104,1179 2.845,1180 2.821,1181 3.598,1182 2.811,1183 2.758,1184 2.832,1185 2.747,1186 2.592,1187 3.52,1188 2.568,1189 0.203,1190 0.15,1191 0.3,1192 0.184,1193 0.142,1194 4.675,1195 0.201,1196 3.446,1197 0.035,1198 6.896,1199 0.502,1200 4.232,1201 0.138,1202 3.255,1203 4.633,1204 0.8,1205 11.543,1206 3.178,1207 2.028,1208 2.004,1209 2.136,1210 2.113,1211 1.477,1212 2.123,1213 1.738,1214 1.674,1215 1.964,1216 1.924,1217 1.231,1218 1.939,1219 1.539,1220 1.471,1221 1.861,1222 1.741,1223 1.09,1224 1.785,1225 1.536,1226 1.459,1227 1.751,1228 1.738,1229 0.988,1230 1.747,1231 1.445,1232 1.408,1233 1.558,1234 1.583,1235 0.775,1236 1.6,1237 1.176,1238 1.1,1239 1.484,1240 1.393,1241 0.622,1242 1.431,1243 0.988,1244 0.885,1245 1.367,1246 1.246,1247 0.538,1248 1.294,1249 0.845,1250 0.778,1251 1.24,1252 1.062,1253 0.403,1254 1.131,1255 3.85,1257 5.165,1258 2.398,1259 6.696,1260 4.727,1261 8.335,1262 6.823,1263 10.034,1265 4.557,1266 6.414,1271 8.498,1275 0.675,1276 2.683,1280 27.192,1281 60.929,1282 142.335,1283 199.064,1284 210.574,1285 210.574,1286 210.574,1287 27.913,1288 6.983,1289 19.03,1290 19.03,1291 17,1292 12.426,1293 3.459,1294 2.585,1295 31.98,1296 61,1297 60,1298 0.271,1299 171.464,1300 287.73,1301 410.133,1302 8627,1303 2.2,1304 14.82,1305 0.706,1306 0.659,1307 15.32,1308 13.84,1309 10.241,1310 0.445,1311 0.375,1312 8.238,1313 9.784,1314 7.95,1315 6.638,1316 10.529,1317 8.633,1318 8.804,1319 0.275,1320 0.206,1321 9.175,1322 6.602,1323 7.671,1324 0.17,1325 0.112,1326 8.008,1327 5.026,1328 6.78,1329 0.109,1330 0.065,1331 7.123,1332 4.058,1333 5.502,1334 0.071,1335 0.039,1336 5.824,1337 3.02,1338 0.407,1339 65.649,1340 0.256,1341 20.301,1342 0.797,1343 110,1344 220.181,1345 129.655,1346 250.386,1347 345.93,1348 236,1349 132,1350 241.299,1351 148.865,1352 256.747,1353 382.07,1354 244,1355 7.638} {0 CHEMBL303269,1 1.483,2 8.125,3 4.349,4 18.913,5 100.321,6 6.703,7 0.385,8 4.013,9 4.138,10 3.655,11 3.596,12 4.873,13 3.502,14 4.633,15 4.831,16 3.917,17 4.01,18 5.67,19 3.903,20 4.917,21 5.152,22 4.009,23 4.181,24 5.794,25 4.051,26 5.001,27 5.235,28 4.052,29 4.272,30 5.867,31 4.122,32 5.114,33 5.372,34 3.978,35 4.313,36 5.892,37 4.12,38 5.159,39 5.442,40 3.857,41 4.238,42 5.951,43 4.03,44 5.047,45 5.348,46 3.638,47 4.067,48 5.839,49 3.84,50 4.773,51 5.06,52 3.469,53 3.857,54 5.557,55 3.634,56 0.095,57 0.763,58 15.744,59 5.823,60 12.166,61 7.571,62 0.264,63 1.267,64 26.9,65 9.697,66 48.621,67 13.118,68 0.312,69 1.573,70 34.626,71 11.932,72 42.214,73 16.739,74 0.355,75 1.713,76 36.816,77 13.596,78 37.914,79 18.859,80 0.26,81 1.833,82 42.509,83 15.876,84 36.875,85 21.567,86 0.39,87 1.802,88 45.484,89 15.693,90 54.41,91 21.591,92 0.474,93 1.544,94 39.867,95 13.595,96 56.522,97 18.839,98 0.273,99 1.223,100 32.245,101 10.862,102 33.904,103 14.527,104 40,105 38,106 0.25,107 0.535,108 0.761,109 0.798,110 0.798,111 0.798,112 3.23,113 1.258,114 -4.4,115 -4.33,116 -4.08,119 36.5,120 2,121 5,124 1,125 2,127 1,140 2,141 3,142 1,149 1,150 1,169 9,171 1,172 4,176 2,178 10,182 6,186 2,189 8,193 4,195 2,197 2,199 8,203 7,208 1,211 10,215 5,218 1,220 1,222 9,225 2,226 2,233 6,242 2,244 4,249 4,254 2,256 2,259 780,260 15.988,261 15.988,262 15.988,263 15.988,264 15.988,265 14.537,266 16.708,267 9.388,268 16.387,269 12.779,270 12.779,271 12.779,272 12.779,273 12.779,274 10.436,275 18.838,276 4.267,277 13.478,278 4.218,279 2.53,280 1.188,281 0.967,282 0.967,283 0.967,284 3.906,288 1,289 1,290 407,291 4,294 44.613,295 95.452,298 75.893,299 81.549,302 1.219,303 24.51,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 51,315 195,316 4.926,317 5.191,318 7.358,319 4.386,320 3.467,321 4.891,322 2.95,323 12.854,324 3.245,325 4.454,326 3.356,327 6.618,328 3.974,329 3.035,330 4.263,331 0.8,332 10.397,333 2.783,334 3.901,335 3.035,336 6.13,337 3.692,338 2.754,339 3.29,341 8.995,342 2.558,343 3.661,344 2.686,345 5.72,346 3.316,347 2.349,348 2.762,350 7.602,351 2.259,352 3.221,353 2.22,354 4.869,355 2.774,356 1.787,357 2.528,359 5.233,360 1.76,361 2.754,362 1.948,363 4.482,364 2.591,365 1.614,366 1.839,368 4.338,369 1.574,370 2.672,371 1.689,372 4.374,373 2.31,374 1.338,375 1.678,377 3.86,378 1.294,379 2.247,380 1.298,381 3.693,382 2.237,383 1.247,384 1.247,386 2.165,387 1.233,388 2.187,389 1.055,390 3.309,391 1.815,392 0.834,393 1.063,395 2.117,396 0.817,397 1.992,398 0.913,399 3.247,400 1.724,401 0.763,402 0.92,404 1.718,405 0.73,406 1.65,407 0.751,408 2.872,409 1.539,410 0.565,411 0.616,413 0.962,414 0.549,415 1,416 0.462,417 2.722,418 0.637,419 -0.348,420 -0.4,422 -0.632,423 -0.342,424 0.892,425 -0.096,426 2.526,427 0.521,428 -0.445,429 -0.445,431 -0.832,432 -0.428,433 0.765,434 -0.214,435 2.253,436 0.389,437 -0.578,438 -0.692,440 -1.642,441 -0.546,442 0.555,443 -0.287,444 2.168,445 0.042,446 -0.943,447 -1.054,449 -1.899,450 -0.781,451 11.8,452 0.492,453 0.72,454 0.03,455 25.75,456 1.073,457 11,458 0.458,459 14.75,460 0.615,461 26.121,462 1.088,463 27.8,464 0.535,465 17.079,466 0.712,467 4.182,468 0.174,469 7.27,470 0.303,471 0.184,472 0.071,473 0.288,479 0.531,480 1.4,481 0.954,482 1.288,483 0.644,484 1.119,485 0.759,486 1.15,487 1.006,488 1.066,489 0.482,490 0.981,491 1.093,492 0.988,493 0.883,494 0.88,495 0.95,496 0.924,497 0.758,498 1.053,499 0.895,500 0.985,501 0.658,502 1.054,503 0.686,504 1.127,505 0.973,506 1.108,507 0.62,508 1.116,509 0.848,510 1.013,511 0.951,512 1.027,513 0.891,514 1.015,515 0.899,516 0.852,517 0.863,518 0.847,519 1.008,520 0.916,521 0.963,522 0.943,523 1.092,524 1.026,525 0.916,526 0.982,527 5.5,529 3.333,530 1.715,531 1.873,532 0.986,533 0.722,534 0.495,535 0.276,536 0.201,537 5253,538 11407,539 2.005,540 53.8,541 8,542 10,543 1,545 1,547 8,550 1.677,551 1.834,552 3.044,553 -0.342,555 1,559 77.106,560 1.483,561 3.171,562 4.512,563 4.734,564 4.734,565 4.734,566 2.44,567 3.97,568 4.555,569 3.184,570 878.796,571 7.902,572 10004.2,574 1,576 1,577 296.423,578 1.697,579 4.483,580 0.212,582 0.088,583 0.043,584 0.046,585 0.027,586 0.023,587 0.021,588 0.014,589 0.014,590 0.487,591 0.17,592 1,593 1.527,594 111.318,595 0.136,596 -0.095,597 0.226,598 -0.011,599 -0.127,600 0.036,601 0.145,602 0.004,603 0.034,604 0.016,605 0.284,606 0.067,607 -0.09,608 0.069,609 0.039,610 0.083,611 -0.031,612 0.07,613 0.064,614 0.007,615 -0.007,616 -0.018,617 0.052,618 -0.045,619 0.005,620 -0.131,621 -0.041,622 -0.109,623 0.029,624 -0.102,625 0.019,626 -0.079,627 -0.012,628 -0.073,629 -0.015,630 -0.041,631 0.052,632 0.042,633 0.031,634 0.048,635 -0.042,636 0.027,637 -0.056,638 0.011,639 -0.042,640 -0.02,641 -0.039,642 -0.01,643 4.139,644 5.184,645 0.542,646 17.375,647 0.989,648 1.129,649 3.169,650 10.04,651 0.644,652 3.296,653 3.664,654 3.951,655 4.277,656 4.543,657 4.691,658 4.828,659 5.004,660 5.063,661 5.017,662 5.178,663 0.587,664 348.56,665 3.296,666 4.86,667 5.727,668 6.645,669 7.544,670 8.469,671 9.38,672 10.308,673 11.226,674 12.155,675 3.8,678 1,683 1,687 2,688 3,690 1,693 3,695 10,714 52,716 12,717 1,718 26,720 54,721 19,722 8,723 4,724 2,730 3,731 6,736 2,740 4,743 6,745 8,746 11,750 2,753 1,755 2,761 1,764 28,765 3,766 1,767 5,768 1,773 2,777 0.333,778 2,788 1,792 1,793 2,796 1,797 1,815 1,819 1,821 1,823 3,827 24,829 1,833 7,837 1,838 1,847 3.8,850 2,854 13.083,855 10.033,856 5.306,857 3.621,858 2.308,859 1.316,860 0.978,861 5.145,862 9.603,863 3.526,864 4.178,865 4.735,866 5.392,867 5.95,868 6.377,869 6.73,870 7.162,871 7.331,872 7.51,873 1,874 40,875 9.131,877 4.054,878 7.649,879 17.837,881 15.418,883 2.149,884 51.583,886 1,887 1,888 317.82,889 88.41,890 19.91,892 44.313,894 6.046,895 82.364,896 362.133,897 19.91,898 24.841,899 16.884,900 34.046,901 44.313,902 30.405,903 13.915,904 306.049,906 317.82,907 102.274,908 44.313,909 6.046,911 223.651,912 138.482,915 54.444,916 47.829,917 6.046,919 317.82,920 64.223,921 88.41,923 6.046,924 317.82,925 29.523,926 55.965,927 16.786,928 44.313,929 317.82,930 64.223,931 88.41,933 0.582,934 0.339,935 0.195,936 0.114,937 19,938 9,939 0.111,940 6,941 2,942 1.308,943 3.393,944 203.294,945 0.308,946 13,947 102.039,950 1,951 17.66,952 6.991,953 3.47,954 1.861,955 47.437,956 5.846,958 3.146,961 3.006,963 16.786,964 470.452,965 33,968 -3.223,970 24.367,975 51.421,976 58.733,977 0.26,978 0.556,979 0.792,980 0.83,981 0.83,982 0.83,983 4.8,984 1.247,985 5.771,986 3.86,987 4.344,988 4.864,989 2.963,990 6.686,991 4.241,992 6.052,993 0.834,994 7.401,995 2.165,996 4.205,997 5.112,998 0.325,999 7.962,1000 3.964,1001 7.43,1002 0.763,1003 9.145,1004 2.117,1005 6.08,1006 7.266,1007 5.03,1008 11.036,1009 5.841,1010 8.855,1011 0.565,1012 10.957,1013 1.718,1014 6.746,1015 8.335,1016 0.268,1017 13.091,1018 6.367,1019 10.318,1020 -0.348,1021 12.81,1022 0.962,1023 8.165,1024 10.072,1025 7.185,1026 15.771,1027 7.771,1028 11.807,1029 -0.445,1030 14.692,1031 -0.632,1032 9.155,1033 11.446,1034 0.188,1035 18.115,1036 8.645,1037 13.316,1038 -0.578,1039 16.594,1040 -0.832,1041 10.425,1042 13.061,1043 9.348,1044 20.687,1045 9.878,1046 3.467,1047 -0.943,1048 18.511,1049 -1.642,1050 11.548,1051 14.551,1052 0.125,1053 23.146,1054 10.907,1055 3.035,1056 12.854,1057 20.44,1058 -1.899,1059 12.773,1060 16.13,1061 11.511,1062 25.69,1063 12.081,1064 2.754,1065 10.397,1066 22.378,1067 4.891,1068 13.951,1069 17.666,1070 0.082,1071 28.197,1072 13.18,1073 2.349,1074 8.995,1075 24.323,1076 4.263,1077 15.168,1078 19.237,1079 13.675,1080 30.738,1081 14.339,1082 1.787,1083 7.602,1084 26.275,1085 3.29,1086 16.371,1087 20.794,1088 0.054,1089 33.267,1090 15.471,1091 1.614,1092 5.233,1093 28.233,1094 2.762,1095 17.59,1096 22.365,1097 15.838,1098 35.81,1099 16.629,1100 1.338,1101 4.338,1102 30.195,1103 2.528,1104 18.807,1105 23.933,1106 0.035,1107 38.35,1108 17.778,1109 5334,1110 8093,1111 16.701,1112 33.466,1113 39.407,1114 41.397,1115 41.139,1116 39.646,1117 39.507,1118 50.197,1119 7.5,1120 120.482,1121 37.602,1122 5.872,1123 7.191,1124 7.16,1125 5.44,1126 5.467,1127 7.891,1128 5.9,1129 20.735,1130 5.245,1131 13.721,1132 1.516,1133 1.592,1134 1.582,1135 1.525,1136 1.52,1137 1.931,1138 0.288,1139 4.634,1140 1.446,1141 4.218,1142 4.226,1143 4.746,1144 4.191,1145 7.716,1146 4.145,1147 3.889,1148 3.912,1149 4.03,1150 3.845,1151 6.999,1152 3.761,1153 3.753,1154 3.771,1155 3.684,1156 3.612,1157 4.927,1158 3.591,1159 3.563,1160 3.617,1161 3.44,1162 3.422,1163 4.382,1164 3.399,1165 3.501,1166 3.586,1167 3.279,1168 3.348,1169 4.231,1170 3.32,1171 3.252,1172 3.321,1173 3.117,1174 3.116,1175 4.04,1176 3.102,1177 3.042,1178 3.135,1179 2.846,1180 2.868,1181 3.939,1182 2.852,1183 3.001,1184 3.097,1185 2.789,1186 2.799,1187 3.677,1188 2.784,1189 0.189,1190 0.2,1191 0.283,1192 0.169,1193 0.133,1194 4.926,1195 0.188,1196 5.191,1197 0.113,1198 7.358,1199 0.494,1200 4.386,1201 0.125,1202 3.467,1203 4.891,1204 2.95,1205 12.854,1206 3.245,1207 2.044,1208 2.034,1209 2.137,1210 2.118,1211 1.484,1212 2.134,1213 1.787,1214 1.81,1215 1.965,1216 1.928,1217 1.242,1218 1.961,1219 1.726,1220 1.667,1221 1.861,1222 1.867,1223 1.111,1224 1.92,1225 1.539,1226 1.468,1227 1.751,1228 1.738,1229 1.09,1230 1.785,1231 1.533,1232 1.459,1233 1.679,1234 1.719,1235 0.933,1236 1.74,1237 1.236,1238 1.177,1239 1.484,1240 1.463,1241 0.761,1242 1.484,1243 1.172,1244 1.098,1245 1.483,1246 1.379,1247 0.578,1248 1.421,1249 0.987,1250 0.883,1251 1.366,1252 1.246,1253 0.513,1254 1.294,1255 3.97,1257 5.323,1258 2.398,1259 6.878,1260 4.727,1261 8.534,1262 6.88,1263 10.246,1265 5.757,1271 7.711,1275 0.519,1276 2.592,1280 30.508,1281 77.106,1282 164.874,1283 234.648,1284 246.158,1285 246.158,1286 246.158,1287 49.658,1288 7.296,1289 53.17,1290 61.55,1291 17,1292 12.66,1293 3.7,1294 3,1295 38.956,1296 73,1297 78,1298 0.268,1299 191.847,1300 325.91,1301 459.867,1302 12602,1304 17.32,1305 0.722,1306 0.656,1307 17.57,1308 15.748,1309 11.452,1310 0.44,1311 0.419,1312 9.104,1313 10.416,1314 8.611,1315 7.205,1316 12.346,1317 10.904,1318 10.799,1319 0.284,1320 0.236,1321 12.168,1322 8.968,1323 8.447,1324 0.166,1325 0.123,1326 9.171,1327 6.26,1328 7.448,1329 0.105,1330 0.07,1331 8.124,1332 4.968,1333 6.21,1334 0.067,1335 0.041,1336 6.885,1337 3.842,1338 0.403,1339 79.685,1340 0.245,1341 22.717,1342 0.793,1343 128,1344 308.309,1345 169.095,1346 321.381,1347 439.07,1348 296,1349 153,1350 302.161,1351 201.609,1352 339.943,1353 495.98,1354 318,1355 7.284} {0 CHEMBL303339,1 1.253,2 5.813,3 3.078,4 9.473,5 68.022,6 6.304,7 0.556,8 3.608,9 3.75,10 3.062,11 3.171,12 4.514,13 3.112,14 4.192,15 4.405,16 3.421,17 3.613,18 4.979,19 3.528,20 4.435,21 4.661,22 3.435,23 3.79,24 5.173,25 3.653,26 4.584,27 4.856,28 3.284,29 3.793,30 5.243,31 3.6,32 4.543,33 4.864,34 2.996,35 3.584,36 5.12,37 3.349,38 4.187,39 4.507,40 2.755,41 3.224,42 4.826,43 3.02,44 3.812,45 4.093,46 2.31,47 2.925,48 4.564,49 2.707,50 3.656,51 4.015,52 1.168,53 2.451,54 4.22,55 2.086,56 0.045,57 0.501,58 8.301,59 3.245,60 6.504,61 4.79,62 0.113,63 0.842,64 15.092,65 5.49,66 9.884,67 8.275,68 0.115,69 1.023,70 19.008,71 7.593,72 12.144,73 11.144,74 0.119,75 1.096,76 21.846,77 8.919,78 14.495,79 13.056,80 0.124,81 0.979,82 20.914,83 8.137,84 14.82,85 12.127,86 0.137,87 0.703,88 14.817,89 5.255,90 12.22,91 8.002,92 0.076,93 0.497,94 10.12,95 3.645,96 10.779,97 5.542,98 0.076,99 0.367,100 8.576,101 2.898,102 9.154,103 4.51,104 6,105 26,106 0.234,107 0.583,108 0.761,109 0.81,110 0.821,111 0.821,112 2.856,113 1,114 -3.91,115 -3.87,116 -3.67,119 41.2,121 3,124 2,127 1,140 3,141 3,149 1,150 1,169 8,172 2,176 3,178 11,182 2,186 2,189 11,193 2,197 2,199 5,203 2,208 1,211 1,215 1,218 1,220 1,259 230,260 10.861,261 10.861,262 10.861,263 10.861,264 10.861,265 9.704,266 10.393,267 6.266,268 11.034,269 8.877,270 8.877,271 8.877,272 8.877,273 8.877,274 7.106,275 12.112,276 2.943,277 9.137,278 3.834,279 1.966,280 1.008,281 0.75,282 0.691,283 0.691,284 3.53,288 1,289 1,290 203,291 2.345,294 24.621,295 53.173,298 41.914,299 45.494,302 0.859,303 4.59,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 33,315 93,316 4.593,317 3.329,318 6.72,319 4.17,320 3.179,321 4.525,322 0.8,323 10.947,324 3.152,325 3.874,326 2.896,327 5.942,328 3.651,329 2.697,330 3.29,332 8.293,333 2.575,334 3.565,335 2.506,336 5.651,337 3.291,338 2.321,339 2.647,341 7.346,342 2.246,343 3.178,344 1.942,345 4.764,346 2.751,347 1.761,348 2.463,350 5.029,351 1.741,352 2.644,353 1.428,354 3.861,355 2.247,356 1.284,357 1.705,359 2.973,360 1.235,361 2.318,362 1.311,363 3.75,364 2.163,365 1.193,366 1.307,368 2.858,369 1.153,370 2.085,371 0.914,372 3.424,373 1.793,374 0.821,375 0.992,377 2.058,378 0.797,379 1.903,380 0.599,381 3.134,382 1.515,383 0.54,384 0.737,386 1.317,387 0.526,388 0.887,389 -0.202,390 2.513,391 0.613,392 -0.372,393 -0.434,395 -0.95,396 -0.365,397 0.632,398 -0.529,399 2.334,400 0.299,401 -0.691,402 -0.808,404 -1.902,405 -0.683,406 0.252,407 -0.6,408 2.18,409 -0.042,410 -1,411 -1,413 -2,414 -0.9,416 -0.98,417 1.815,418 -0.1,419 -1.031,420 -1.39,422 -3.009,423 -1.018,424 -0.081,425 -1.192,426 1.514,427 -0.407,428 -1.371,429 -1.625,431 -3.876,432 -1.311,433 -0.17,434 -1.509,435 1.343,436 -0.632,437 -1.604,438 -1.981,440 -4.87,441 -1.54,442 -0.444,443 -1.621,444 1,445 -0.818,446 -1.766,447 -2.148,449 -5.222,450 -1.699,451 7.8,452 0.488,453 0.418,454 0.026,455 18.25,456 1.141,457 8,458 0.5,459 10.25,460 0.641,461 12.92,462 0.807,463 17.4,464 0.512,465 9.962,466 0.623,467 3.45,468 0.216,469 4.304,470 0.269,471 0.128,473 0.372,479 1.106,480 1.344,481 0.954,482 1.105,483 1.04,484 1.034,485 1.519,486 0.927,487 0.963,488 0.828,489 0.857,490 0.851,491 1.067,492 1.102,493 1.13,494 1.13,495 0.969,496 1.134,497 0.717,498 1.096,499 1.058,500 1.148,501 0.955,502 1.131,503 0.642,504 0.981,505 0.878,506 0.976,507 0.857,508 0.949,509 1.012,510 0.862,511 0.9,512 0.859,513 0.834,514 0.869,515 1.401,516 1.198,517 1.329,518 1.253,519 1.512,520 1.28,521 1.48,522 0.851,523 1.22,524 0.991,525 1.878,526 1.071,527 3,529 2.222,530 0.813,531 0.898,532 0.493,533 0.215,534 0.137,537 1861,538 3337,539 2.135,540 52.9,541 2,542 10,543 1,545 1,547 4,550 1.556,551 2,552 2.635,553 -0.352,555 1,556 1,557 1,559 42.612,560 1.253,561 3.121,562 4.08,563 4.337,564 4.396,565 4.396,566 1.924,567 3.75,568 3.976,569 2.685,570 322.155,571 6.714,572 2705.9,573 1,574 1,576 1,577 172.974,578 1.406,579 3.933,580 0.167,582 0.085,583 0.032,584 0.045,585 0.035,586 0.02,587 0.023,590 0.407,591 1,592 1,593 0.875,594 62.451,595 0.052,596 -0.131,597 0.078,598 -0.015,599 0.041,600 0.025,601 -0.162,602 0.212,603 0.064,604 0.182,605 0.069,606 0.147,607 -0.142,608 -0.044,609 -0.149,610 -0.101,611 -0.093,612 -0.121,613 -0.02,614 -0.148,615 -0.11,616 -0.147,617 -0.096,618 -0.137,619 0.101,620 -0.112,621 0.062,622 -0.028,623 0.028,624 0.007,625 0.151,626 0.058,627 0.073,628 0.05,629 0.185,630 0.055,631 -0.245,632 -0.221,633 -0.355,634 -0.316,635 -0.249,636 -0.339,637 -0.287,638 -0.002,639 -0.268,640 -0.139,641 -0.55,642 -0.191,643 0.631,644 0.8,645 0.813,646 7.422,647 0.979,648 1.127,649 2.682,650 7.193,651 0.65,652 2.944,653 3.296,654 3.611,655 3.892,656 4.127,657 4.248,658 4.331,659 4.357,660 4.304,661 4.078,662 3.772,663 0.596,664 214.34,665 2.944,666 4.489,667 5.361,668 6.256,669 7.149,670 8.049,671 8.948,672 9.85,673 10.752,674 11.655,675 5.9,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 34,716 10,717 1,718 18,720 36,721 14,722 8,723 4,724 2,730 3,731 6,740 4,743 4,745 8,746 6,761 1,764 18,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 16,833 3,837 1,838 1,854 8,855 6.617,856 3.444,857 2.106,858 2.121,859 1.328,860 1.011,861 2.341,862 8.598,863 3.178,864 3.812,865 4.456,866 5.083,867 5.576,868 5.946,869 6.3,870 6.63,871 6.533,872 6.551,873 0.75,874 25,875 5.933,877 2.502,878 7.313,879 11.996,881 10.338,883 1.813,884 29,885 0.009,888 200.109,889 72.961,890 19.91,895 72.961,896 200.109,897 19.91,898 16.793,899 7.604,900 37.476,902 28.854,903 13.915,904 188.338,906 200.109,907 92.871,911 153.024,912 47.084,915 27.513,916 65.357,919 200.109,920 19.91,921 72.961,924 200.109,925 18.692,926 57.393,927 16.786,929 200.109,930 19.91,931 72.961,933 0.592,934 0.353,935 0.189,936 0.102,937 15,938 6,939 0.028,940 1,941 2,942 1.308,943 2.823,944 116.024,945 0.308,946 13,947 62,951 10.064,952 3.722,953 1.621,954 2.696,955 3.124,956 8.765,958 3.3,961 3.105,963 16.786,964 292.979,965 23,975 33.272,976 38.318,977 0.246,978 0.613,979 0.802,980 0.853,981 0.864,982 0.864,983 4.425,984 0.54,985 5.361,986 2.058,987 3.97,988 4.494,989 0.673,990 6.209,991 3.922,992 5.634,993 -0.372,994 6.944,995 1.317,996 3.611,997 4.388,998 0.325,999 7.186,1000 3.531,1001 6.953,1002 -0.691,1003 8.629,1004 -0.95,1005 5.595,1006 6.765,1007 0.379,1008 10.296,1009 5.51,1010 8.313,1011 -1,1012 10.372,1013 -1.902,1014 6.066,1015 7.556,1016 0.268,1017 12.098,1018 5.956,1019 9.71,1020 -1.031,1021 12.153,1022 -2,1023 7.525,1024 9.402,1025 0.239,1026 14.726,1027 7.413,1028 11.132,1029 -1.371,1030 13.958,1031 -3.009,1032 8.363,1033 10.595,1034 0.188,1035 16.863,1036 8.235,1037 12.574,1038 -1.604,1039 15.781,1040 -3.876,1041 9.62,1042 12.237,1043 0.156,1044 19.332,1045 9.49,1046 3.179,1047 -1.766,1048 17.617,1049 -4.87,1050 10.625,1051 13.609,1052 0.125,1053 21.612,1054 10.486,1055 2.697,1056 10.947,1057 19.463,1058 -5.222,1059 11.805,1060 15.171,1061 0.102,1062 24.028,1063 11.664,1064 2.321,1065 8.293,1066 21.317,1067 4.525,1068 12.886,1069 16.621,1070 0.082,1071 26.369,1072 12.738,1073 1.761,1074 7.346,1075 23.177,1076 3.29,1077 14.04,1078 18.151,1079 0.066,1080 28.768,1081 13.889,1082 1.284,1083 5.029,1084 25.043,1085 2.647,1086 15.156,1087 19.635,1088 0.054,1089 31.137,1090 15.001,1091 1.193,1092 2.973,1093 26.915,1094 2.463,1095 16.302,1096 21.152,1097 0.043,1098 33.53,1099 16.144,1100 0.821,1101 2.858,1102 28.79,1103 1.705,1104 17.436,1105 22.65,1106 0.035,1107 35.912,1108 17.272,1109 1845,1110 2528,1111 12.137,1112 22.103,1113 27.877,1114 27.573,1115 28.271,1116 27.605,1117 27.591,1118 35.332,1119 1.6,1120 81.64,1121 26.851,1122 5.538,1123 5.329,1124 6.227,1125 5.17,1126 5.179,1127 7.525,1128 1.2,1129 18.159,1130 5.152,1131 6.448,1132 1.549,1133 1.532,1134 1.571,1135 1.534,1136 1.533,1137 1.963,1138 0.089,1139 4.536,1140 1.492,1141 4.151,1142 4.184,1143 4.104,1144 4.078,1145 4.968,1146 4.08,1147 3.764,1148 3.832,1149 3.653,1150 3.612,1151 4.404,1152 3.613,1153 3.461,1154 3.542,1155 3.326,1156 3.283,1157 4.225,1158 3.283,1159 3.197,1160 3.268,1161 3.025,1162 3.05,1163 3.876,1164 3.034,1165 3.037,1166 3.124,1167 2.845,1168 2.873,1169 3.567,1170 2.854,1171 2.874,1172 3.009,1173 2.586,1174 2.619,1175 3.467,1176 2.602,1177 2.767,1178 2.846,1179 2.499,1180 2.618,1181 3.34,1182 2.57,1183 2.363,1184 2.491,1185 2.151,1186 2.176,1187 2.996,1188 2.158,1189 0.255,1190 0.185,1191 0.373,1192 0.232,1193 0.177,1194 4.593,1195 0.251,1196 3.329,1197 0.044,1198 6.72,1199 0.608,1200 4.17,1201 0.175,1202 3.179,1203 4.525,1204 0.8,1205 10.947,1206 3.152,1207 2.027,1208 2.002,1209 2.137,1210 2.11,1211 1.463,1212 2.121,1213 1.645,1214 1.583,1215 1.84,1216 1.848,1217 1.035,1218 1.85,1219 1.478,1220 1.418,1221 1.674,1222 1.697,1223 0.836,1224 1.697,1225 1.352,1226 1.269,1227 1.638,1228 1.55,1229 0.707,1230 1.586,1231 1.1,1232 1.021,1233 1.419,1234 1.305,1235 0.611,1236 1.349,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.853,1244 0.778,1245 1.13,1246 1.062,1247 0.315,1248 1.095,1249 0.645,1250 0.565,1251 1.001,1252 0.866,1253 0.137,1254 0.918,1255 3.611,1257 4.949,1258 2.398,1259 6.494,1260 4.595,1261 8.138,1262 6.605,1263 9.836,1265 4.375,1271 3.701,1275 0.702,1276 2.356,1280 20.257,1281 42.612,1282 106.113,1283 138.709,1284 147.464,1285 149.464,1286 149.464,1287 15.464,1288 6.477,1289 19.03,1290 19.03,1291 17,1292 12.175,1293 3.459,1294 2.585,1295 21.679,1296 36,1297 32,1298 0.315,1299 124.762,1300 203.32,1301 296.179,1302 4540,1304 11.121,1305 0.695,1306 0.622,1307 11.121,1308 9.955,1309 7.754,1310 0.431,1311 0.333,1312 5.941,1313 7.568,1314 5.707,1315 4.761,1316 7.754,1317 5.998,1318 7.173,1319 0.276,1320 0.192,1321 7.173,1322 5.002,1323 6.208,1324 0.172,1325 0.107,1326 6.208,1327 3.86,1328 5.206,1329 0.108,1330 0.059,1331 5.206,1332 2.817,1333 4.161,1334 0.068,1335 0.033,1336 4.161,1337 2.035,1338 0.46,1339 47.722,1340 0.287,1341 15.622,1342 0.969,1343 88,1344 169.978,1345 91.469,1346 172.849,1347 248.14,1348 164,1349 106,1350 190.732,1351 109.997,1352 199.692,1353 291.59,1354 187,1355 7.824} {0 CHEMBL303441,1 1.35,2 9.273,3 3.886,4 15.101,5 90.228,6 6.692,7 0.5,8 3.854,9 3.98,10 3.339,11 3.422,12 4.853,13 3.374,14 4.393,15 4.583,16 3.648,17 3.788,18 5.316,19 3.715,20 4.566,21 4.775,22 3.642,23 3.876,24 5.469,25 3.772,26 4.638,27 4.856,28 3.538,29 3.845,30 5.482,31 3.718,32 4.647,33 4.903,34 3.509,35 3.833,36 5.442,37 3.692,38 4.614,39 4.881,40 3.519,41 3.841,42 5.416,43 3.699,44 4.575,45 4.819,46 3.411,47 3.824,48 5.369,49 3.658,50 4.58,51 4.876,52 3.106,53 3.661,54 5.318,55 3.462,56 0.044,57 0.605,58 9.983,59 4.264,60 6.869,61 5.871,62 0.16,63 0.98,64 18.015,65 7.001,66 15.965,67 9.765,68 0.158,69 1.124,70 21.606,71 8.299,72 22.724,73 11.651,74 0.233,75 1.118,76 23.77,77 9.1,78 25.484,79 12.368,80 0.201,81 1.155,82 23.938,83 9.066,84 24.478,85 12.903,86 0.285,87 1.146,88 23.118,89 8.71,90 24.888,91 12.714,92 0.112,93 1.096,94 21.673,95 9.092,96 18.532,97 12.905,98 0.227,99 1.063,100 22.728,101 8.122,102 26.955,103 11.946,104 5,105 32,106 0.236,107 0.546,108 0.723,109 0.793,110 0.852,111 0.852,112 3.146,113 0.971,114 -4.73,115 -4.65,116 -4.37,119 43.2,120 2,121 1,125 3,140 7,141 4,142 1,156 1,169 13,172 4,174 1,176 1,178 14,182 7,186 1,189 11,193 6,197 2,199 6,203 3,208 2,211 9,214 1,215 1,218 1,220 1,222 14,226 1,231 1,233 14,237 1,242 1,244 8,249 2,254 2,256 2,259 682,260 15.052,261 15.052,262 15.052,263 15.052,264 15.052,265 13.159,266 17.492,267 9.112,268 15.292,269 11.845,270 11.845,271 11.845,272 11.845,273 11.845,274 9.116,275 20.901,276 4.349,277 12.239,278 4.11,279 2.332,280 1.316,281 0.915,282 0.58,283 0.58,284 3.827,287 1,288 1,289 1,290 439,291 2.449,294 62.94,295 149.474,302 1.57,303 11.508,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46,315 204,316 4.452,317 3.396,318 6.595,319 4.073,320 3.094,321 4.143,322 1.505,323 10.34,324 3.029,325 3.909,326 3.135,327 5.674,328 3.539,329 2.584,330 3.443,331 1.151,332 7.649,333 2.496,334 3.87,335 2.78,336 5.336,337 3.476,338 2.496,339 3.17,340 0.368,341 6.952,342 2.42,343 3.497,344 2.47,345 5.238,346 3.126,347 2.153,348 2.791,349 0.265,350 6.365,351 2.086,352 3.076,353 2.017,354 4.549,355 2.686,356 1.715,357 2.28,359 4.481,360 1.66,361 2.91,362 1.696,363 3.697,364 2.483,365 1.492,366 2.078,368 3.176,369 1.477,370 2.5,371 1.475,372 3.513,373 2.153,374 1.19,375 1.5,377 2.63,378 1.142,379 2.255,380 1.26,381 3.32,382 2,383 1,384 1.237,386 2.136,387 1,388 2.005,389 1.09,390 3.247,391 1.74,392 0.833,393 0.944,395 1.965,396 0.747,397 1.787,398 1,399 3,400 1.518,401 0.618,402 0.668,404 1.372,405 0.556,406 1.508,407 0.655,408 2.913,409 1.275,410 0.287,411 0.338,413 0.685,414 0.283,415 1.207,416 0.489,417 2.684,418 0.953,424 0.672,425 -0.193,426 2.357,427 0.398,428 -0.588,429 -0.683,431 -1.541,432 -0.579,433 0.631,434 -0.395,435 2.081,436 0.259,437 -0.711,438 -0.892,440 -1.559,441 -0.688,442 0.5,443 -0.857,444 1.555,446 -1,447 -1.401,449 -2.347,450 -1,451 10.633,452 0.483,453 0.435,454 0.02,455 27.5,456 1.25,457 14,458 0.636,459 13.5,460 0.614,461 17.609,462 0.8,463 23.567,464 0.536,465 17.464,466 0.794,467 5.64,468 0.256,469 5.097,470 0.232,471 0.094,473 0.282,479 0.91,480 1.229,481 0.894,482 1.095,483 0.959,484 1.007,485 1.225,486 0.992,487 0.944,488 0.949,489 1.109,490 0.925,491 1.28,492 1.091,493 1.117,494 1.146,495 1.143,496 1.113,497 1.904,498 1.113,499 1.198,500 1.127,501 1.426,502 1.123,503 1.232,504 1.016,505 0.98,506 0.966,507 1.06,508 0.96,509 0.714,510 0.77,511 0.897,512 0.812,513 0.794,514 0.856,515 0.629,516 1.2,517 1.051,518 1.23,519 0.833,520 1.192,521 1.208,522 0.829,523 1.109,524 0.882,525 1.325,526 0.965,527 3.5,528 0.011,529 2.222,530 1.285,531 0.951,532 0.632,533 0.464,534 0.212,535 0.156,536 0.041,537 5157,538 10928,539 2.097,540 50,541 6,542 13,545 1,546 2,550 1.645,551 2,552 3.204,553 -0.399,555 1,557 1,559 59.397,560 1.35,561 3.127,562 4.143,563 4.544,564 4.88,565 4.88,566 2.704,567 3.914,568 4.43,569 3.361,570 776.403,571 7.613,572 8625.47,574 1,576 1,577 240.215,578 1.241,579 4.407,580 0.146,581 0.001,582 0.069,583 0.043,584 0.037,585 0.024,586 0.017,587 0.009,588 0.01,589 0.004,590 0.36,591 0.67,592 1,593 0.517,594 101.509,595 0.012,596 -0.078,597 0.058,598 -0.025,599 -0.048,600 0.015,601 -0.003,602 0.089,603 0.046,604 0.056,605 -0.034,606 0.055,607 -0.077,608 -0.043,609 -0.131,610 -0.154,611 -0.051,612 -0.14,613 -0.192,614 -0.166,615 -0.179,616 -0.135,617 -0.148,618 -0.158,619 -0.067,620 -0.061,621 0.011,622 0.009,623 -0.014,624 0.012,625 0.161,626 0.226,627 0.079,628 0.155,629 0.135,630 0.119,631 0.023,632 -0.244,633 -0.111,634 -0.214,635 -0.034,636 -0.183,637 -0.189,638 0.125,639 -0.12,640 0.053,641 -0.259,642 -0.014,643 0.898,644 2.598,645 0.773,646 18.364,647 0.986,648 1.122,649 3.505,650 12.283,651 0.661,652 3.219,653 3.497,654 3.738,655 3.932,656 4.043,657 4.043,658 4.111,659 4.159,660 4.19,661 4.174,662 5.635,663 0.614,664 294.43,665 3.219,666 4.727,667 5.557,668 6.405,669 7.249,670 8.104,671 8.955,672 9.813,673 10.668,674 11.529,675 4.5,677 1,684 1,688 7,693 5,695 12,712 1,714 44,716 13,717 2,718 24,720 46,721 19,722 12,723 5,724 7,730 3,731 3,736 2,743 1,745 13,746 6,750 1,758 1,759 1,761 1,764 22,765 3,766 1,767 3,773 2,774 1,777 1,778 1,792 1,793 2,814 1,819 3,823 2,827 22,833 4,834 1,835 1,847 2.3,852 1,854 11,855 8.45,856 4.917,857 2.664,858 2.364,859 1.356,860 0.983,861 4.667,862 9.002,863 3.466,864 4.025,865 4.527,866 4.997,867 5.43,868 5.46,869 5.685,870 5.973,871 6.273,872 6.507,873 1,874 30,875 8.129,877 3.316,878 7.455,879 16.022,881 12.926,883 1.955,884 43,885 0.001,887 1,888 247.193,889 115.636,890 34.796,892 11,895 115.636,896 258.193,897 34.796,898 17.65,899 11.338,900 84.344,901 2.328,902 45.771,904 247.193,906 247.193,907 150.432,908 11,911 247.193,912 11,915 63.785,916 86.647,919 247.193,920 45.796,921 115.636,924 247.193,925 31.652,926 83.984,927 18.011,928 27.785,929 247.193,930 45.796,931 115.636,933 0.571,934 0.333,935 0.174,936 0.084,937 15,938 6,939 0.109,940 5,942 1,943 3.525,944 166.056,946 17,947 92.107,951 14.955,952 6.866,953 3.638,955 45.796,956 14.603,961 5.862,963 18.011,964 408.625,965 31,973 4.482,974 1.084,975 43.367,976 49.358,977 0.247,978 0.573,979 0.759,980 0.832,981 0.894,982 0.894,983 4.673,984 1,985 5.509,986 2.63,987 4.174,988 4.71,989 2.092,990 6.263,991 4.113,992 5.854,993 0.833,994 7.033,995 2.136,996 3.611,997 4.388,998 0.904,999 7.06,1000 3.546,1001 7.141,1002 0.618,1003 8.66,1004 1.965,1005 5.707,1006 6.84,1007 2.466,1008 10.157,1009 5.594,1010 8.467,1011 0.287,1012 10.351,1013 1.372,1014 6.019,1015 7.357,1016 1.864,1017 11.822,1018 5.891,1019 9.825,1021 12.085,1022 0.685,1023 7.525,1024 9.254,1025 2.984,1026 14.425,1027 7.367,1028 11.205,1029 -0.588,1030 13.848,1032 8.245,1033 10.173,1034 2.755,1035 16.453,1036 8.068,1037 12.602,1038 -0.711,1039 15.634,1040 -1.541,1041 9.512,1042 11.83,1043 3.6,1044 18.892,1045 9.313,1046 3.094,1047 -1,1048 17.436,1049 -1.559,1050 10.434,1051 12.965,1052 3.615,1053 21.084,1054 10.213,1055 2.584,1056 10.34,1057 19.251,1058 -2.347,1059 11.603,1060 14.504,1061 4.287,1062 23.462,1063 11.364,1064 2.496,1065 7.649,1066 21.078,1067 4.143,1068 12.624,1069 15.762,1070 4.458,1071 25.729,1072 12.364,1073 2.153,1074 6.952,1075 22.913,1076 3.443,1077 13.756,1078 17.241,1079 5.024,1080 28.083,1081 13.478,1082 1.715,1083 6.365,1084 24.757,1085 3.17,1086 14.826,1087 18.569,1088 5.291,1089 30.387,1090 14.528,1091 1.492,1092 4.481,1093 26.606,1094 2.791,1095 15.947,1096 20.017,1097 5.793,1098 32.73,1099 15.63,1100 1.19,1101 3.176,1102 28.462,1103 2.28,1104 17.043,1105 21.385,1106 6.119,1107 35.051,1108 16.706,1109 4967,1110 7314,1111 16.296,1112 29.08,1113 35.124,1114 35.709,1115 35.532,1116 34.872,1117 34.924,1118 45.183,1119 6.579,1120 95.501,1121 33.793,1122 5.351,1123 5.396,1124 6.397,1125 5.128,1126 5.094,1127 7.143,1128 2.656,1129 17.51,1130 5.029,1131 7.794,1132 1.463,1133 1.488,1134 1.481,1135 1.453,1136 1.455,1137 1.883,1138 0.274,1139 3.979,1140 1.408,1141 4.007,1142 4.035,1143 3.95,1144 3.935,1145 4.873,1146 3.935,1147 3.885,1148 3.919,1149 3.812,1150 3.829,1151 4.742,1152 3.821,1153 3.757,1154 3.823,1155 3.668,1156 3.56,1157 4.676,1158 3.578,1159 3.302,1160 3.376,1161 3.146,1162 3.17,1163 4.278,1164 3.152,1165 3.237,1166 3.288,1167 3.085,1168 3.059,1169 3.96,1170 3.058,1171 3.104,1172 3.191,1173 2.891,1174 2.949,1175 3.749,1176 2.925,1177 2.899,1178 2.997,1179 2.687,1180 2.735,1181 3.674,1182 2.715,1183 2.854,1184 2.925,1185 2.663,1186 2.724,1187 3.54,1188 2.696,1189 0.185,1190 0.142,1191 0.275,1192 0.17,1193 0.129,1194 4.452,1195 0.173,1196 3.396,1197 0.063,1198 6.595,1199 0.431,1200 4.073,1201 0.126,1202 3.094,1203 4.143,1204 1.505,1205 10.34,1206 3.029,1207 1.962,1208 1.942,1209 2.07,1210 2.051,1211 1.26,1212 2.057,1213 1.893,1214 1.865,1215 2.022,1216 1.971,1217 1.129,1218 1.99,1219 1.471,1220 1.412,1221 1.73,1222 1.682,1223 1.004,1224 1.704,1225 1.44,1226 1.357,1227 1.684,1228 1.673,1229 0.852,1230 1.672,1231 1.267,1232 1.19,1233 1.588,1234 1.49,1235 0.682,1236 1.533,1237 1.176,1238 1.121,1239 1.448,1240 1.41,1241 0.606,1242 1.421,1243 1.05,1244 0.964,1245 1.378,1246 1.288,1247 0.433,1248 1.329,1249 0.886,1250 0.821,1251 1.181,1252 1.062,1253 0.218,1254 1.107,1255 3.892,1257 5.176,1258 2.398,1259 6.653,1260 4.443,1261 8.22,1262 6.26,1263 9.835,1265 4.237,1271 3.3,1272 3.333,1273 6.098,1280 27.026,1281 59.397,1282 137.609,1283 182.299,1284 199.95,1285 214.705,1286 214.705,1287 26.997,1288 6.639,1289 33.62,1290 33.62,1291 17,1292 12.08,1293 3.807,1294 3,1295 34.438,1296 72,1297 72,1298 0.229,1299 167.938,1300 290.69,1301 401.528,1302 6192,1304 15.364,1305 0.698,1306 0.601,1307 15.364,1308 13.225,1309 10.737,1310 0.447,1311 0.324,1312 7.696,1313 10.475,1314 7.405,1315 6.191,1316 10.737,1317 7.768,1318 9.305,1319 0.291,1320 0.178,1321 9.305,1322 5.702,1323 7.886,1324 0.192,1325 0.099,1326 7.886,1327 4.042,1328 6.28,1329 0.126,1330 0.055,1331 6.28,1332 2.757,1333 4.464,1334 0.08,1335 0.03,1336 4.464,1337 1.659,1338 0.356,1339 66.24,1340 0.248,1341 21.843,1342 0.634,1343 112,1344 271.714,1345 119.04,1346 267.001,1347 373.8,1348 254,1349 129,1350 276.257,1351 136.677,1352 284.009,1353 411.59,1354 267,1355 5.961} {0 CHEMBL303514,1 1.534,2 15.515,3 4.162,4 17.318,5 128.191,6 7.387,7 0.568,8 4.217,9 4.353,10 3.786,11 3.73,12 5.276,13 3.714,14 4.79,15 4.987,16 4.133,17 4.149,18 5.808,19 4.111,20 5.059,21 5.293,22 4.103,23 4.3,24 6.026,25 4.202,26 5.139,27 5.399,28 4.03,29 4.302,30 5.997,31 4.165,32 5.165,33 5.461,34 4.015,35 4.2,36 6.057,37 4.076,38 4.997,39 5.263,40 3.967,41 4.114,42 5.97,43 4.02,44 4.941,45 5.193,46 3.936,47 4.105,48 5.886,49 3.992,50 4.966,51 5.249,52 3.799,53 4.024,54 5.862,55 3.898,56 0.052,57 1.096,58 12.732,59 5.419,60 10.973,61 7.31,62 0.297,63 1.784,64 25.316,65 8.928,66 27.119,67 12.33,68 0.522,69 2.128,70 35.648,71 12.824,72 55.465,73 17.484,74 0.312,75 2.11,76 39.212,77 14.631,78 48.918,79 20.771,80 0.604,81 2.118,82 43.331,83 13.926,84 73.804,85 20.1,86 0.607,87 1.931,88 35.638,89 11.319,90 66.621,91 15.699,92 0.472,93 1.798,94 32.212,95 11.203,96 49.442,97 16.03,98 0.444,99 1.752,100 34.58,101 11.043,102 56.522,103 15.904,104 5,105 51,106 0.246,107 0.562,108 0.712,109 0.809,110 0.819,111 0.84,112 3.531,113 0.926,114 -5.61,115 -5.48,116 -5.12,119 41,121 2,125 6,127 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 3,176 3,178 10,181 1,182 4,186 3,189 8,193 8,199 2,203 9,206 1,211 1,215 5,218 1,226 6,229 2,236 1,237 4,244 1,249 1,252 1,256 2,259 2072,260 22.687,261 22.687,262 22.687,263 22.687,264 22.687,265 20.223,266 24.109,267 13.471,268 23.264,269 18.302,270 18.302,271 18.302,272 18.302,273 18.302,274 14.668,275 23.477,276 6.476,277 19.277,278 4.397,279 2.424,280 1.486,281 0.885,282 0.82,283 0.689,284 4.241,288 1,289 1,290 1141,291 3.391,294 178.958,295 343.335,298 152.741,302 2.529,303 30.463,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 72,315 512,316 4.571,317 3.243,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.131,326 3.059,327 6.098,328 3.705,329 2.769,330 3.732,331 0.8,332 8.897,333 2.596,334 4.015,335 2.958,336 5.574,337 3.646,338 2.703,339 3.615,341 7.63,342 2.584,343 3.705,344 2.9,345 5.43,346 3.566,347 2.606,348 2.848,350 7.206,351 2.457,352 3.508,353 2.777,354 5.285,355 3.306,356 2.377,357 2.738,359 6.748,360 2.2,361 3.415,362 2.564,363 5.118,364 3.067,365 2.12,366 2.657,368 6.156,369 1.994,370 3.288,371 2.39,372 4.877,373 2.957,374 2.012,375 2.589,377 5.656,378 1.89,379 3.213,380 2.038,381 4.65,382 2.753,383 1.809,384 2.306,386 4.86,387 1.703,388 2.892,389 1.787,390 4.506,391 2.65,392 1.704,393 1.94,395 4.646,396 1.595,397 2.687,398 1.286,399 4.072,400 2.204,401 1.237,402 1.755,404 3.308,405 1.193,406 2.5,407 1.146,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.383,416 1.007,417 3.414,418 1.967,419 1,420 1.331,422 2.275,423 0.965,424 2.118,425 1,426 3.342,427 1.884,428 0.922,429 1,431 2.147,432 0.884,433 2.077,434 0.975,435 3.253,436 1.75,437 0.782,438 0.927,440 1.815,441 0.753,442 2,443 0.703,444 3.196,445 1.577,446 0.623,447 0.902,449 1.527,450 0.592,451 15.471,452 0.469,453 0.708,454 0.021,455 40.25,456 1.22,457 18,458 0.545,459 22.25,460 0.674,461 29.584,462 0.896,463 36.129,464 0.592,465 29.645,466 0.898,467 8.094,468 0.245,469 8.043,470 0.244,471 0.037,473 0.304,474 1,477 1,479 0.618,480 1.219,481 0.75,482 1.144,483 0.498,484 1.008,485 0.925,486 1.003,487 0.957,488 0.957,489 0.672,490 0.949,491 1.025,492 0.958,493 1.127,494 1.058,495 0.99,496 1.103,497 0.658,498 1.031,499 0.957,500 1.188,501 0.64,502 1.153,503 0.901,504 0.92,505 0.845,506 0.884,507 0.935,508 0.862,509 1.238,510 0.982,511 1.053,512 0.904,513 1.273,514 0.932,515 0.729,516 0.974,517 0.988,518 1.128,519 0.791,520 1.122,521 0.967,522 0.976,523 1.014,524 1,525 0.919,526 1.01,527 6.5,528 0.14,529 3.333,530 1.257,531 1.463,532 0.983,533 0.506,534 0.426,535 0.269,536 0.223,537 19393,538 51647,539 2.168,540 45.9,542 20,543 1,544 2,545 1,547 4,550 1.745,551 2.084,552 3.886,553 -0.352,559 93.563,560 1.534,561 3.507,562 4.444,563 5.045,564 5.111,565 5.242,566 3.392,567 4.62,568 5.014,569 4.088,570 2158.54,571 8.742,572 34730.5,574 1,577 361.775,578 1.182,579 4.999,580 0.176,581 0.005,582 0.065,583 0.027,584 0.035,585 0.024,586 0.013,587 0.011,588 0.008,589 0.008,590 0.372,591 0.33,592 0.75,593 0.398,594 180.279,595 0.014,596 -0.162,597 0.068,598 -0.078,599 0.004,600 -0.014,601 -0.094,602 0.023,603 -0.055,604 0.032,605 -0.004,606 0.008,607 -0.087,608 0.062,609 -0.177,610 -0.042,611 -0.055,612 -0.11,613 0.016,614 -0.183,615 -0.02,616 -0.168,617 0.024,618 -0.118,619 0.041,620 -0.034,621 0.173,622 0.085,623 0.02,624 0.141,625 -0.088,626 0.057,627 -0.033,628 0.07,629 -0.091,630 0.039,631 0.097,632 -0.054,633 -0.032,634 -0.136,635 -0.001,636 -0.123,637 -0.053,638 -0.083,639 -0.015,640 -0.044,641 -0.036,642 -0.024,643 2.256,644 7.027,645 0.788,646 42.907,647 1.004,648 1.142,649 4.383,650 19.213,651 0.656,652 3.638,653 3.951,654 4.205,655 4.454,656 4.644,657 4.71,658 4.844,659 4.977,660 5.03,661 5.094,662 8.929,663 0.627,664 450.59,665 3.638,666 5.176,667 6.019,668 6.884,669 7.741,670 8.61,671 9.474,672 10.346,673 11.214,674 12.089,675 9.8,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 61,716 21,717 2,718 37,720 65,721 25,722 16,723 5,724 7,728 1,730 5,731 6,743 3,745 16,746 9,762 2,764 28,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 2,827 33,833 8,837 1,838 2,844 1,846 2,854 15.833,855 10.702,856 7.167,857 3.727,858 3.571,859 1.433,860 1.023,861 6.701,862 11.81,863 3.882,864 4.466,865 5.039,866 5.617,867 6.068,868 6.393,869 6.817,870 7.239,871 7.445,872 7.676,873 1,874 47,875 12.282,877 5.303,878 7.737,879 23.732,881 19.987,883 2.237,884 73.833,887 1,888 317.82,889 135.467,890 58.259,893 29.92,895 135.467,896 317.82,897 88.179,899 19.883,900 75.381,901 74.105,902 45.755,903 43.835,904 282.506,906 317.82,907 193.726,908 29.92,911 300.656,912 47.084,915 62.053,916 98.347,917 33.326,919 347.74,920 58.259,921 135.467,924 319.999,925 40.669,926 100.766,927 16.786,928 63.246,929 317.82,930 88.179,931 135.467,933 0.58,934 0.331,935 0.176,936 0.094,937 25,938 10,939 0.123,940 8,941 1,942 1.077,943 4.687,944 295.829,945 0.077,946 26,947 151.71,951 22.059,952 10.025,953 5.428,954 2.04,955 69.495,956 18.003,957 7.72,958 3.258,961 2.899,962 1.846,963 16.786,964 541.466,965 47.5,975 61.239,976 69.652,977 0.259,978 0.591,979 0.749,980 0.851,981 0.862,982 0.884,983 5.113,984 1.809,985 5.984,986 5.656,987 4.635,988 5.153,989 1.072,990 6.749,991 4.537,992 6.293,993 1.704,994 7.509,995 4.86,996 4.111,997 4.844,998 0.57,999 7.526,1000 3.938,1001 7.578,1002 1.237,1003 9.128,1004 4.646,1005 6.188,1006 7.321,1007 0.653,1008 10.597,1009 6.007,1010 8.898,1011 1,1012 10.804,1013 3.308,1014 6.494,1015 7.924,1016 0.479,1017 12.23,1018 6.252,1019 10.252,1020 1,1021 12.516,1022 2.275,1023 7.999,1024 9.824,1025 0.432,1026 14.799,1027 7.748,1028 11.631,1029 0.922,1030 14.256,1031 2.275,1032 8.696,1033 10.875,1034 0.346,1035 16.812,1036 8.405,1037 13.031,1038 0.782,1039 16.016,1040 2.147,1041 9.963,1042 12.535,1043 0.291,1044 19.213,1045 9.659,1046 3.126,1047 0.623,1048 17.793,1049 1.815,1050 10.86,1051 13.814,1052 0.237,1053 21.401,1054 10.53,1055 2.769,1056 10.462,1057 19.584,1058 1.527,1059 12.025,1060 15.372,1061 0.195,1062 23.749,1063 11.682,1064 2.703,1065 8.897,1066 21.386,1067 4.519,1068 13.025,1069 16.764,1070 0.158,1071 26.017,1072 12.665,1073 2.606,1074 7.63,1075 23.197,1076 3.732,1077 14.15,1078 18.282,1079 0.129,1080 28.351,1081 13.778,1082 2.377,1083 7.206,1084 25.018,1085 3.615,1086 15.204,1087 19.729,1088 0.104,1089 30.655,1090 14.819,1091 2.12,1092 6.748,1093 26.846,1094 2.848,1095 16.316,1096 21.233,1097 0.084,1098 32.988,1099 15.921,1100 2.012,1101 6.156,1102 28.68,1103 2.738,1104 17.399,1105 22.708,1106 0.068,1107 35.311,1108 16.993,1109 17771,1110 29160,1111 25.542,1112 40.046,1113 55.664,1114 55.406,1115 55.643,1116 55.154,1117 55.01,1118 70.568,1119 3.2,1120 154.436,1121 52.241,1122 5.571,1123 5.243,1124 6.169,1125 5.174,1126 5.126,1127 7.519,1128 1.2,1129 17.208,1130 5.068,1131 11.25,1132 1.504,1133 1.497,1134 1.504,1135 1.491,1136 1.487,1137 1.907,1138 0.086,1139 4.174,1140 1.412,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.202,1146 4.07,1147 3.949,1148 3.994,1149 3.879,1150 3.865,1151 8.19,1152 3.863,1153 3.845,1154 3.912,1155 3.792,1156 3.651,1157 5.135,1158 3.665,1159 3.814,1160 3.882,1161 3.725,1162 3.578,1163 4.925,1164 3.616,1165 3.561,1166 3.628,1167 3.453,1168 3.379,1169 4.642,1170 3.388,1171 3.357,1172 3.426,1173 3.237,1174 3.2,1175 4.36,1176 3.198,1177 3.254,1178 3.324,1179 3.141,1180 3.078,1181 4.252,1182 3.082,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.919,1188 2.91,1189 0.124,1190 0.088,1191 0.178,1192 0.111,1193 0.084,1194 4.571,1195 0.122,1196 3.243,1197 0.022,1198 6.572,1199 0.283,1200 4.106,1201 0.083,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.06,1210 2.064,1211 1.363,1212 2.065,1213 1.92,1214 1.889,1215 2.037,1216 2.044,1217 1.255,1218 2.043,1219 1.793,1220 1.727,1221 1.973,1222 1.974,1223 1.179,1224 1.979,1225 1.642,1226 1.586,1227 1.826,1228 1.828,1229 1.065,1230 1.83,1231 1.416,1232 1.345,1233 1.637,1234 1.672,1235 0.848,1236 1.652,1237 1.374,1238 1.308,1239 1.545,1240 1.586,1241 0.825,1242 1.589,1243 1.244,1244 1.177,1245 1.513,1246 1.458,1247 0.694,1248 1.47,1249 1.153,1250 1.064,1251 1.462,1252 1.442,1253 0.579,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.122,1260 5.283,1261 8.693,1262 7.286,1263 10.307,1267 28.073,1271 6.296,1275 -0.923,1276 4.621,1280 38.217,1281 93.563,1282 213.908,1283 271.104,1284 307.775,1285 311.775,1286 319.775,1287 57.142,1288 8.239,1289 52.98,1290 52.98,1291 28,1292 12.63,1293 4.459,1294 3.524,1295 48.287,1296 178,1297 188,1298 0.128,1299 230.428,1300 390.04,1301 554.003,1302 54271,1303 3.3,1304 22.623,1305 0.686,1306 0.561,1307 20.882,1308 18.5,1309 16.136,1310 0.436,1311 0.309,1312 11.23,1313 15.386,1314 11.054,1315 9.05,1316 15.348,1317 11.421,1318 14.546,1319 0.285,1320 0.171,1321 13.278,1322 8.733,1323 12.195,1324 0.185,1325 0.098,1326 11.53,1327 6.46,1328 10.057,1329 0.118,1330 0.053,1331 9.52,1332 4.547,1333 7.927,1334 0.077,1335 0.031,1336 7.34,1337 3.193,1338 0.211,1339 101.803,1340 0.198,1341 31.655,1342 0.327,1343 176,1344 562.781,1345 194.846,1346 495.735,1347 667.48,1348 466,1349 205,1350 480.809,1351 224.1,1352 477.171,1353 692.69,1354 449,1355 8.26} {0 CHEMBL303921,1 1.459,2 11.9,3 6.069,4 36.83,5 124.108,6 7.204,7 0.485,8 4.151,9 4.271,10 3.695,11 3.729,12 5.144,13 3.679,14 4.73,15 4.911,16 4.049,17 4.145,18 5.639,19 4.065,20 5.021,21 5.248,22 4.124,23 4.305,24 5.855,25 4.191,26 5.098,27 5.331,28 4.108,29 4.343,30 5.937,31 4.207,32 5.172,33 5.432,34 3.977,35 4.36,36 5.897,37 4.185,38 5.226,39 5.509,40 3.934,41 4.302,42 5.97,43 4.121,44 5.121,45 5.402,46 3.856,47 4.192,48 5.898,49 4.027,50 4.933,51 5.175,52 3.819,53 4.129,54 5.765,55 3.98,56 0.037,57 0.801,58 12.869,59 5.796,60 8.752,61 7.822,62 0.173,63 1.35,64 25.28,65 9.935,66 21.343,67 13.614,68 0.299,69 1.708,70 37.149,71 13.356,72 32.532,73 18.509,74 0.487,75 1.826,76 39.849,77 14.568,78 42.034,79 20.304,80 0.242,81 1.929,82 41.865,83 16.496,84 34,85 23.234,86 0.407,87 1.96,88 46.972,89 16.73,90 49.373,91 23.534,92 0.508,93 1.734,94 43.156,95 14.57,96 51.563,97 20.346,98 0.351,99 1.491,100 34.701,101 12.416,102 36.605,103 17.142,104 15,105 45,106 0.237,107 0.58,108 0.803,109 0.888,110 0.899,111 0.899,112 3.44,113 1.024,114 -5.47,115 -5.35,116 -5,119 42.4,120 1,121 5,125 3,127 1,140 6,141 4,142 2,149 1,150 1,153 1,169 11,172 8,176 3,178 16,182 5,186 2,189 13,192 1,193 5,195 1,197 2,199 13,203 5,208 1,211 9,215 8,218 1,220 1,222 8,225 1,226 5,233 6,237 4,242 2,244 10,249 4,254 1,256 10,259 1598,260 20.809,261 20.809,262 20.809,263 20.809,264 20.809,265 18.83,266 21.194,267 12.475,268 21.228,269 16.222,270 16.222,271 16.222,272 16.222,273 16.222,274 13.145,275 24.671,276 5.754,277 16.95,278 4.423,279 2.317,280 0.945,281 0.42,282 0.352,283 0.352,284 4.14,285 1,289 1,290 777,291 3.742,294 65.609,295 245.108,298 111.618,299 117.318,302 1.847,303 21.557,306 0.75,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.84,314 63.333,315 357,316 4.687,317 3.408,318 6.919,319 4.258,320 3.266,321 4.646,322 0.86,323 11.66,324 3.241,325 4.042,326 3.09,327 6.165,328 3.781,329 2.829,330 3.647,331 0.8,332 9.134,333 2.701,334 3.964,335 3.047,336 5.828,337 3.58,338 2.653,339 3.365,341 7.947,342 2.439,343 3.697,344 2.869,345 5.502,346 3.439,347 2.46,348 2.836,350 7.438,351 2.398,352 3.418,353 2.637,354 5.112,355 2.972,356 2.018,357 2.727,359 5.898,360 1.955,361 3.313,362 2.505,363 4.751,364 2.884,365 1.979,366 2.558,368 5.324,369 1.71,370 2.96,371 1.982,372 4.648,373 2.651,374 1.67,375 2.098,377 4.687,378 1.627,379 2.728,380 1.772,381 4.417,382 2.585,383 1.594,384 1.78,386 4.267,387 1.564,388 2.663,389 1.62,390 3.702,391 2.38,392 1.416,393 1.7,395 2.975,396 1.352,397 2.444,398 1.59,399 3.598,400 2.169,401 1.19,402 1.435,404 2.569,405 1.142,406 2.39,407 1.278,408 3.468,409 1.923,410 0.945,411 1.27,413 2.165,414 0.92,415 2.067,416 1.075,417 3.314,418 1.815,419 0.853,420 0.982,422 1.921,423 0.814,424 2.01,425 0.915,426 3.082,427 1.775,428 0.785,429 0.881,431 1.63,432 0.773,433 1.882,434 0.795,435 2.832,436 1.408,437 0.346,438 0.528,440 0.631,441 0.359,442 1.373,443 0.514,444 2.695,445 1.207,446 0.26,447 0.292,449 0.458,450 0.247,451 14.681,452 0.489,453 0.568,454 0.019,455 34.75,456 1.158,457 16,458 0.533,459 18.75,460 0.625,461 30.518,462 1.017,463 32.719,464 0.555,465 23.77,466 0.792,467 6.498,468 0.217,469 8.192,470 0.273,471 0.105,473 0.3,479 0.719,480 1.274,481 0.714,482 1.046,483 0.53,484 0.987,485 0.985,486 1.134,487 0.811,488 0.962,489 0.631,490 0.968,491 1.015,492 1.019,493 0.925,494 0.946,495 0.59,496 0.951,497 0.791,498 1.029,499 0.887,500 1.03,501 0.685,502 1.057,503 0.58,504 1.146,505 0.801,506 1.103,507 0.628,508 1.099,509 0.858,510 0.997,511 0.825,512 0.968,513 0.89,514 0.969,515 1.151,516 0.816,517 0.857,518 0.811,519 1.055,520 0.854,521 1.066,522 1.009,523 0.981,524 1.04,525 0.993,526 1.061,527 5,528 0.144,529 3.111,530 1.785,531 1.485,532 0.757,533 0.619,534 0.436,535 0.264,536 0.216,537 12468,538 31582,539 2.107,540 49.2,541 5,542 13,543 1,544 1,545 1,547 6,548 2,550 1.728,551 2,552 3.52,553 -0.415,559 86.098,560 1.459,561 3.566,562 4.937,563 5.463,564 5.531,565 5.531,566 2.927,567 4.64,568 4.878,569 3.734,570 1624.31,571 8.508,572 23132.6,577 347.076,578 1.295,579 4.851,580 0.152,581 0.006,582 0.069,583 0.038,584 0.034,585 0.019,586 0.017,587 0.013,588 0.008,589 0.007,590 0.363,591 0.33,592 0.88,593 0.92,594 155.392,595 -0.004,596 -0.09,597 0.037,598 -0.02,599 0.032,600 0.017,601 -0.081,602 -0.017,603 0.003,604 0.019,605 0.009,606 0.006,607 -0.081,608 0.026,609 -0.015,610 0.024,611 0.026,612 0.022,613 0.094,615 -0.042,616 -0.067,617 0.066,618 -0.084,619 0.031,620 -0.176,621 -0.021,622 -0.132,623 0.026,624 -0.101,625 0.013,626 -0.055,627 0.03,628 -0.023,629 -0.012,630 0.005,631 -0.054,632 0.128,633 0.032,634 0.123,635 -0.06,636 0.102,637 -0.073,638 -0.023,639 -0.097,640 -0.073,641 -0.108,642 -0.087,643 1.028,644 4.545,645 0.633,646 30.836,647 0.992,648 1.122,649 4.243,650 17.999,651 0.668,652 3.526,653 3.829,654 4.127,655 4.419,656 4.644,657 4.736,658 4.875,659 5.03,660 5.1,661 5.1,662 7.238,663 0.622,664 425.01,665 3.526,666 5.056,667 5.911,668 6.79,669 7.666,670 8.556,671 9.442,672 10.338,673 11.231,674 12.131,675 3.4,678 1,683 1,687 2,688 7,690 1,693 5,695 16,696 1,712 1,713 1,714 59,716 17,717 2,718 33,720 62,721 25,722 14,723 6,724 6,725 1,730 4,731 7,732 1,736 1,740 4,743 6,745 15,746 10,750 1,755 1,757 1,764 29,765 3,766 1,767 5,768 1,773 2,777 0.5,778 2,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 1,824 1,827 30,833 8,835 1,837 1,838 1,846 1,847 3.4,850 1,852 1,854 15,855 10.676,856 6.806,857 3.962,858 2.998,859 1.382,860 0.985,861 7.009,862 10.845,863 3.761,864 4.327,865 4.935,866 5.542,867 6.045,868 6.332,869 6.657,870 7.04,871 7.147,872 7.285,873 0.875,874 47,875 11.121,877 4.669,878 7.57,879 21.929,881 18.409,883 2.07,884 62.111,888 329.591,889 130.649,890 19.91,891 39.149,892 36.145,895 130.649,896 404.884,897 19.91,898 8.825,899 21.476,900 65.905,901 48.34,902 51.783,903 13.915,904 306.049,905 39.149,906 329.591,907 150.558,908 36.145,909 39.149,911 235.422,912 130.314,915 50.211,916 88.923,917 50.573,919 329.591,920 56.055,921 169.797,924 329.591,925 44.494,926 89.279,927 16.786,928 75.293,929 329.591,930 56.055,931 169.797,933 0.566,934 0.339,935 0.195,936 0.106,937 21,938 9,939 0.145,940 9,941 2,942 1.211,943 4.192,944 264.39,945 0.211,946 19,947 145.207,951 21.265,952 9.889,953 4.865,954 2.182,955 39.269,956 13.737,958 3.249,961 5.046,963 16.786,964 555.443,965 42,970 11.545,972 0.972,975 58.552,976 66.172,977 0.248,978 0.606,979 0.839,980 0.929,981 0.94,982 0.94,983 4.99,984 1.594,985 5.878,986 4.687,987 4.511,988 5.014,989 1.235,990 6.691,991 4.433,992 6.17,993 1.416,994 7.431,995 4.267,996 4.007,997 4.796,998 0.325,999 7.612,1000 3.858,1001 7.466,1002 1.19,1003 9.088,1004 2.975,1005 6.094,1006 7.22,1007 0.938,1008 10.742,1009 5.957,1010 8.803,1011 0.945,1012 10.809,1013 2.569,1014 6.463,1015 7.923,1016 0.268,1017 12.555,1018 6.287,1019 10.179,1020 0.853,1021 12.573,1022 2.165,1023 7.976,1024 9.797,1025 0.732,1026 15.204,1027 7.803,1028 11.584,1029 0.785,1030 14.369,1031 1.921,1032 8.762,1033 10.938,1034 0.188,1035 17.389,1036 8.573,1037 13.012,1038 0.346,1039 16.187,1040 1.63,1041 10.046,1042 12.598,1043 0.57,1044 19.891,1045 9.857,1046 3.266,1047 0.26,1048 18.024,1049 0.631,1050 11.032,1051 13.95,1052 0.125,1053 22.232,1054 10.838,1055 2.829,1056 11.66,1057 19.875,1058 0.458,1059 12.228,1060 15.527,1061 0.438,1062 24.691,1063 12.035,1064 2.653,1065 9.134,1066 21.739,1067 4.646,1068 13.308,1069 16.977,1070 0.082,1071 27.096,1072 13.115,1073 2.46,1074 7.947,1075 23.613,1076 3.647,1077 14.476,1078 18.524,1079 0.334,1080 29.545,1081 14.284,1082 2.018,1083 7.438,1084 25.495,1085 3.365,1086 15.601,1087 20.019,1088 0.054,1089 31.977,1090 15.411,1091 1.979,1092 5.898,1093 27.384,1094 2.836,1095 16.764,1096 21.556,1097 0.252,1098 34.427,1099 16.574,1100 1.67,1101 5.324,1102 29.279,1103 2.727,1104 17.911,1105 23.072,1106 0.035,1107 36.871,1108 17.722,1109 11845,1110 18995,1111 22.364,1112 39.438,1113 49.093,1114 50.704,1115 50.313,1116 48.837,1117 48.529,1118 61.487,1119 3.32,1120 137.407,1121 46.483,1122 5.637,1123 5.408,1124 6.694,1125 5.321,1126 5.266,1127 7.646,1128 1.72,1129 18.941,1130 5.241,1131 12.924,1132 1.488,1133 1.536,1134 1.525,1135 1.48,1136 1.471,1137 1.863,1138 0.101,1139 4.164,1140 1.409,1141 4.166,1142 4.196,1143 4.127,1144 4.093,1145 7.452,1146 4.097,1147 3.906,1148 3.931,1149 3.991,1150 3.833,1151 4.984,1152 3.828,1153 3.811,1154 3.868,1155 3.712,1156 3.663,1157 4.93,1158 3.665,1159 3.617,1160 3.677,1161 3.501,1162 3.48,1163 4.568,1164 3.473,1165 3.504,1166 3.577,1167 3.385,1168 3.345,1169 4.372,1170 3.325,1171 3.349,1172 3.392,1173 3.249,1174 3.223,1175 4.219,1176 3.217,1177 3.141,1178 3.2,1179 3.223,1180 2.914,1181 4.14,1182 2.917,1183 3.034,1184 3.12,1185 3.006,1186 2.86,1187 3.967,1188 2.853,1189 0.142,1190 0.103,1191 0.21,1192 0.129,1193 0.099,1194 4.687,1195 0.141,1196 3.408,1197 0.026,1198 6.919,1199 0.353,1200 4.258,1201 0.098,1202 3.266,1203 4.646,1204 0.86,1205 11.66,1206 3.241,1207 2.032,1208 2.008,1209 2.139,1210 2.116,1211 1.479,1212 2.126,1213 1.869,1214 1.851,1215 1.975,1216 1.971,1217 1.243,1218 1.977,1219 1.733,1220 1.671,1221 1.94,1222 1.908,1223 1.112,1224 1.922,1225 1.556,1226 1.515,1227 1.822,1228 1.767,1229 1.028,1230 1.767,1231 1.529,1232 1.464,1233 1.743,1234 1.722,1235 0.997,1236 1.751,1237 1.513,1238 1.451,1239 1.678,1240 1.67,1241 0.786,1242 1.684,1243 1.175,1244 1.102,1245 1.47,1246 1.403,1247 0.676,1248 1.428,1249 1.001,1250 0.929,1251 1.354,1252 1.255,1253 0.549,1254 1.292,1255 4.205,1257 5.509,1258 2.398,1259 7.018,1260 4.727,1261 8.629,1262 6.843,1263 10.297,1265 2.237,1266 6.035,1271 8.115,1273 5.882,1275 0.503,1276 2.607,1280 36.675,1281 86.098,1282 210.373,1283 291.302,1284 322.321,1285 326.321,1286 326.321,1287 49.086,1288 7.847,1289 45.33,1290 45.33,1291 23,1292 12.655,1293 4.17,1294 3.322,1295 47.122,1296 128,1297 132,1298 0.174,1299 227.5,1300 392.59,1301 546.86,1302 29748,1303 1.7,1304 20.924,1305 0.697,1306 0.608,1307 21.424,1308 18.251,1309 14.69,1310 0.445,1311 0.341,1312 10.819,1313 13.994,1314 10.532,1315 8.706,1316 14.979,1317 11.265,1318 12.629,1319 0.281,1320 0.189,1321 13.037,1322 8.516,1323 10.821,1324 0.177,1325 0.103,1326 11.083,1327 6.312,1328 9.346,1329 0.114,1330 0.059,1331 9.615,1332 4.859,1333 7.552,1334 0.073,1335 0.034,1336 7.729,1337 3.534,1338 0.277,1339 93.961,1340 0.211,1341 28.554,1342 0.468,1343 156,1344 395.652,1345 180.637,1346 412.231,1347 557.8,1348 388,1349 184,1350 383.481,1351 203.239,1352 399.471,1353 585.35,1354 378,1355 8.292} {0 CHEMBL303997,1 1.605,2 14.727,3 4.08,4 16.646,5 125.867,6 7.526,7 0.568,8 4.206,9 4.331,10 3.787,11 3.721,12 5.273,13 3.712,14 4.783,15 4.959,16 4.176,17 4.139,18 5.962,19 4.111,20 5.065,21 5.288,22 4.123,23 4.27,24 6.077,25 4.185,26 5.124,27 5.375,28 4.106,29 4.242,30 6.065,31 4.145,32 5.118,33 5.38,34 4.126,35 4.155,36 6.229,37 4.088,38 4.98,39 5.222,40 4.026,41 4.119,42 6.072,43 4.05,44 4.979,45 5.228,46 3.999,47 4.109,48 5.99,49 4.013,50 4.973,51 5.244,52 3.86,53 4.01,54 6.045,55 3.902,56 0.071,57 1.052,58 12.173,59 5.531,60 15.436,61 7.108,62 0.485,63 1.857,64 24.744,65 9.38,66 67.1,67 12.167,68 0.676,69 2.109,70 36.184,71 13.043,72 70.817,73 16.978,74 0.468,75 2.1,76 39.285,77 13.982,78 56.475,79 19.062,80 0.921,81 2.327,82 41.762,83 13.392,84 107.567,85 17.122,86 0.631,87 2.098,88 34.62,89 11.794,90 88.515,91 14.728,92 0.576,93 1.928,94 33.912,95 11.834,96 63.628,97 16.197,98 0.852,99 1.805,100 35.586,101 11.054,102 94.741,103 15.192,104 5,105 52,106 0.258,107 0.592,108 0.761,109 0.83,110 0.837,111 0.837,112 3.531,113 0.915,114 -5.61,115 -5.48,116 -5.12,119 41.7,121 3,122 1,125 4,130 1,140 8,141 2,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 7,176 3,178 9,182 8,186 3,189 6,193 7,199 4,202 1,203 6,206 1,211 9,215 3,218 1,222 8,226 5,229 2,233 5,236 1,237 4,242 2,244 3,249 2,254 1,256 3,259 2099,260 22.532,261 22.532,262 22.532,263 22.532,264 22.532,265 20.093,266 23.346,267 13.395,268 23.129,269 18.334,270 18.334,271 18.334,272 18.334,273 18.334,274 14.768,275 22.844,276 6.45,277 19.371,278 4.301,279 2.224,280 1.171,281 0.746,282 0.7,283 0.7,284 4.24,288 1,289 1,290 1084,291 3.742,294 176.999,295 342.656,298 150.769,302 2.419,303 37.343,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 72.5,315 486,316 4.586,317 4.023,318 6.815,319 4.203,320 3.282,321 4.521,322 1.51,323 11.338,324 3.096,325 4.226,326 3.17,327 6.511,328 3.992,329 3.052,330 3.734,331 0.86,332 10.251,333 2.784,334 4.099,335 2.93,336 6.091,337 3.673,338 2.737,339 3.445,340 0.8,341 8.867,342 2.565,343 3.904,344 2.866,345 5.49,346 3.59,347 2.635,348 3.239,350 7.373,351 2.505,352 3.593,353 2.772,354 5.328,355 3.428,356 2.476,357 2.758,359 6.922,360 2.357,361 3.373,362 2.291,363 5.135,364 3.038,365 2.095,366 2.609,368 6.237,369 1.973,370 3.235,371 2.093,372 5.015,373 2.885,374 1.923,375 2.543,377 5.758,378 1.829,379 3.098,380 1.789,381 4.513,382 2.716,383 1.76,384 2.155,386 4.654,387 1.678,388 2.894,389 1.656,390 4.121,391 2.46,392 1.493,393 2.013,395 3.37,396 1.436,397 2.715,398 1.289,399 3.641,400 2.218,401 1.247,402 1.813,404 3.149,405 1.208,406 2.5,407 1.077,408 3.474,409 2,410 1,411 1.5,413 2.275,414 1,415 2.39,416 1.066,417 3.414,418 1.984,419 1,420 1.34,422 2.155,423 0.983,424 2.118,425 1,426 3.318,427 1.888,428 0.927,429 1,431 2.136,432 0.888,433 2.09,434 0.978,435 3.247,436 1.626,437 0.707,438 0.927,440 1.658,441 0.642,442 2,443 0.705,444 3.184,445 1.579,446 0.633,447 0.911,449 1.549,450 0.597,451 15.405,452 0.467,453 0.788,454 0.024,455 40.5,456 1.227,457 18.5,458 0.561,459 22,460 0.667,461 30.274,462 0.917,463 36.195,464 0.603,465 30.422,466 0.922,467 7.94,468 0.241,469 8.116,470 0.246,471 0.037,472 0.032,473 0.247,475 2,479 0.638,480 1.153,481 0.732,482 1.132,483 0.545,484 0.991,485 0.832,486 0.988,487 0.905,488 1.026,489 0.602,490 0.986,491 1.158,492 0.998,493 1.147,494 1.084,495 1.188,496 1.112,497 0.895,498 1.049,499 0.909,500 1.078,501 0.745,502 1.023,503 1.473,504 1.16,505 1.014,506 0.888,507 1.731,508 0.865,509 1.537,510 1.28,511 1.18,512 1.03,513 1.847,514 1.023,515 0.88,516 1.068,517 0.973,518 1.107,519 1.022,520 1.081,521 1.054,522 1.006,523 1.084,524 0.958,525 1.176,526 1.004,527 7,528 0.144,529 3.333,530 1.694,531 1.627,532 1.146,533 0.65,534 0.485,535 0.294,536 0.278,537 18605,538 48591,539 2.161,540 45,542 16,543 1,544 2,545 1,547 5,548 2,550 1.747,551 2.073,552 3.807,553 -0.352,555 1,559 96.325,560 1.605,561 3.683,562 4.736,563 5.161,564 5.207,565 5.207,566 3.268,567 4.499,568 5.012,569 4.017,570 2121.09,571 8.752,572 33300.3,574 1,577 354.413,578 1.284,579 4.993,580 0.189,581 0.005,582 0.064,583 0.036,584 0.036,585 0.025,586 0.015,587 0.012,588 0.009,589 0.009,590 0.402,591 0.33,592 0.75,593 0.398,594 178.816,595 0.005,596 -0.115,597 0.065,598 -0.066,599 -0.03,600 -0.005,601 0.082,602 0.061,603 -0.009,604 -0.016,605 0.189,606 -0.027,607 -0.083,608 0.055,609 -0.175,610 -0.066,611 -0.098,612 -0.126,613 -0.019,614 -0.19,615 0.068,616 -0.084,617 0.032,618 -0.011,619 -0.038,620 0.017,621 0.073,622 0.103,623 -0.083,624 0.107,625 -0.19,626 -0.021,627 -0.14,628 -0.017,629 -0.197,630 -0.053,631 0.067,632 -0.082,633 0.01,634 -0.114,635 -0.018,636 -0.084,637 0.062,638 0.019,639 -0.046,640 -0.003,641 0.025,642 -0.033,643 4.06,644 7.034,645 0.788,646 42.432,647 1.008,648 1.139,649 4.383,650 19.213,651 0.658,652 3.638,653 3.97,654 4.205,655 4.477,656 4.654,657 4.727,658 4.905,659 5.017,660 5.063,661 5.147,662 8.515,663 0.632,664 451.57,665 3.638,666 5.187,667 6.028,668 6.909,669 7.764,670 8.649,671 9.513,672 10.4,673 11.27,674 12.159,675 8.3,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,712 1,714 60,716 21,717 2,718 37,720 64,721 25,722 16,723 4,724 8,730 5,731 6,738 1,740 2,741 1,743 4,745 16,746 9,747 1,761 1,762 2,764 27,765 6,766 1,767 8,773 5,777 0.8,778 1,788 1,792 2,793 3,796 1,815 1,819 4,825 2,827 33,833 7,835 1,837 1,838 1,839 1,844 1,846 2,847 1.7,852 1,854 15.917,855 10.502,856 7.083,857 3.638,858 3.518,859 1.43,860 1.012,861 6.432,862 11.7,863 3.882,864 4.466,865 5.022,866 5.611,867 6.049,868 6.382,869 6.845,870 7.261,871 7.477,872 7.727,873 0.9,874 47,875 12.421,877 5.543,878 7.785,879 23.57,881 19.931,883 2.285,884 75.417,887 1,888 306.049,889 138.335,890 55.135,892 11,893 29.92,895 138.335,896 317.049,897 85.055,899 18.513,900 84.857,901 74.105,902 78.312,903 13.915,904 270.735,906 306.049,907 193.47,908 40.92,911 223.651,912 123.318,914 1.824,915 57.559,916 100.76,917 33.326,919 335.969,920 66.135,921 138.335,924 307.873,925 34.416,926 107.118,927 16.786,928 74.246,929 306.049,930 96.055,931 138.335,933 0.583,934 0.326,935 0.177,936 0.092,937 26,938 10,939 0.125,940 8,941 1,942 1.077,943 4.621,944 301.16,945 0.077,946 26,947 150.465,951 22.059,952 9.622,953 5.428,954 1.648,955 77.37,956 20.328,957 7.634,958 3.119,961 2.324,962 1.764,963 16.786,964 540.438,965 47.5,975 60.465,976 68.363,977 0.272,978 0.624,979 0.802,980 0.874,981 0.881,982 0.881,983 5.125,984 1.76,985 6.023,986 5.758,987 4.654,988 5.153,989 2.079,990 6.832,991 4.546,992 6.321,993 1.493,994 7.577,995 4.654,996 4.29,997 4.879,998 0.325,999 7.881,1000 4.054,1001 7.622,1002 1.247,1003 9.236,1004 3.37,1005 6.286,1006 7.323,1007 2.561,1008 10.885,1009 6.057,1010 8.959,1011 1,1012 10.961,1013 3.149,1014 6.758,1015 7.935,1016 0.268,1017 12.76,1018 6.395,1019 10.33,1020 1,1021 12.729,1022 2.275,1023 8.219,1024 9.823,1025 3.25,1026 15.327,1027 7.852,1028 11.725,1029 0.927,1030 14.525,1031 2.155,1032 9.059,1033 10.874,1034 0.188,1035 17.517,1036 8.574,1037 13.138,1038 0.707,1039 16.343,1040 2.136,1041 10.32,1042 12.529,1043 4.022,1044 19.959,1045 9.811,1046 3.282,1047 0.633,1048 18.176,1049 1.658,1050 11.33,1051 13.806,1052 0.125,1053 22.274,1054 10.721,1055 3.052,1056 11.338,1057 20.021,1058 1.549,1059 12.517,1060 15.364,1061 4.827,1062 24.682,1063 11.868,1064 2.737,1065 10.251,1066 21.877,1067 4.521,1068 13.605,1069 16.754,1070 0.082,1071 27.048,1072 12.874,1073 2.635,1074 8.867,1075 23.74,1076 3.734,1077 14.768,1078 18.273,1079 5.643,1080 29.45,1081 13.986,1082 2.476,1083 7.373,1084 25.609,1085 3.445,1086 15.894,1087 19.721,1088 0.054,1089 31.839,1090 15.041,1091 2.095,1092 6.922,1093 27.484,1094 3.239,1095 17.053,1096 21.226,1097 6.465,1098 34.243,1099 16.145,1100 1.923,1101 6.237,1102 29.364,1103 2.758,1104 18.199,1105 22.702,1106 0.035,1107 36.643,1108 17.225,1109 17043,1110 27745,1111 25.424,1112 39.495,1113 56.181,1114 55.533,1115 55.197,1116 55.436,1117 55.286,1118 70.655,1119 6.34,1120 158.434,1121 52.298,1122 5.586,1123 6.023,1124 6.617,1125 5.263,1126 5.282,1127 7.521,1128 3.02,1129 18.375,1130 5.096,1131 10.373,1132 1.518,1133 1.501,1134 1.492,1135 1.498,1136 1.494,1137 1.91,1138 0.171,1139 4.282,1140 1.413,1141 4.156,1142 4.193,1143 4.117,1144 4.062,1145 8.358,1146 4.07,1147 3.929,1148 3.974,1149 3.844,1150 3.826,1151 7.999,1152 3.824,1153 3.85,1154 3.909,1155 3.797,1156 3.721,1157 5.135,1158 3.717,1159 3.82,1160 3.879,1161 3.739,1162 3.587,1163 4.925,1164 3.625,1165 3.591,1166 3.645,1167 3.517,1168 3.395,1169 4.86,1170 3.416,1171 3.316,1172 3.378,1173 3.216,1174 3.146,1175 4.396,1176 3.156,1177 3.208,1178 3.275,1179 3.091,1180 2.964,1181 4.252,1182 2.982,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.21,1188 2.91,1189 0.124,1190 0.109,1191 0.184,1192 0.114,1193 0.089,1194 4.586,1195 0.122,1196 4.023,1197 0.041,1198 6.815,1199 0.306,1200 4.203,1201 0.084,1202 3.282,1203 4.521,1204 1.51,1205 11.338,1206 3.096,1207 1.96,1208 1.936,1209 2.073,1210 2.063,1211 1.453,1212 2.066,1213 1.89,1214 1.859,1215 2.032,1216 2.041,1217 1.235,1218 2.041,1219 1.837,1220 1.786,1221 1.99,1222 1.96,1223 1.062,1224 1.97,1225 1.65,1226 1.602,1227 1.81,1228 1.834,1229 1.036,1230 1.829,1231 1.409,1232 1.339,1233 1.589,1234 1.672,1235 0.825,1236 1.645,1237 1.342,1238 1.282,1239 1.513,1240 1.56,1241 0.821,1242 1.556,1243 1.153,1244 1.064,1245 1.506,1246 1.442,1247 0.605,1248 1.429,1249 1.124,1250 1.06,1251 1.39,1252 1.401,1253 0.574,1254 1.396,1255 4.317,1257 5.645,1258 3.045,1259 7.151,1260 5.283,1261 8.734,1262 7.286,1263 10.36,1267 30.069,1271 3.204,1273 5.849,1275 0.403,1276 1.885,1277 -2.81,1280 37.91,1281 96.325,1282 221.001,1283 284.149,1284 309.659,1285 312.413,1286 312.413,1287 63.095,1288 8.182,1289 58.97,1290 58.97,1291 28,1292 12.693,1293 4.459,1294 3.524,1295 48.178,1296 167,1297 179,1298 0.136,1299 227.63,1300 387.83,1301 547.176,1302 49436,1303 3.3,1304 22.675,1305 0.687,1306 0.555,1307 20.882,1308 18.331,1309 16.056,1310 0.434,1311 0.305,1312 11.098,1313 15.315,1314 10.924,1315 8.965,1316 15.348,1317 11.287,1318 14.92,1319 0.287,1320 0.169,1321 13.278,1322 8.789,1323 11.999,1324 0.182,1325 0.096,1326 11.53,1327 6.308,1328 10.237,1329 0.118,1330 0.052,1331 9.52,1332 4.511,1333 7.895,1334 0.076,1335 0.031,1336 7.34,1337 3.179,1338 0.221,1339 101.383,1340 0.198,1341 31.439,1342 0.352,1343 178,1344 586.871,1345 201.313,1346 514.158,1347 691.75,1348 482,1349 207,1350 503.485,1351 228.629,1352 495.687,1353 725.82,1354 466,1355 6.553} {0 CHEMBL304008,1 1.552,2 6.313,3 1.714,4 2.936,5 62.74,6 7.423,7 0.556,8 3.501,9 3.627,10 3.067,11 3.028,12 4.596,13 3.02,14 4.009,15 4.181,16 3.415,17 3.433,18 5.093,19 3.394,20 4.233,21 4.461,22 3.367,23 3.505,24 5.198,25 3.422,26 4.149,27 4.378,28 3.203,29 3.402,30 5.073,31 3.3,32 4.077,33 4.325,34 3.087,35 3.229,36 5.045,37 3.13,38 3.95,39 4.207,40 2.798,41 3.017,42 4.928,43 2.905,44 3.709,45 3.977,46 2.324,47 2.687,48 4.63,49 2.529,50 3.366,51 3.673,52 1.646,53 2.109,54 4.333,55 1.895,56 0.042,57 0.454,58 6.14,59 2.421,60 6.337,61 3.242,62 0.115,63 0.726,64 10.926,65 4.074,66 14.734,67 5.753,68 0.15,69 0.823,70 15.007,71 5.368,72 18.186,73 7.696,74 0.103,75 0.736,76 13.806,77 5.116,78 15.182,79 7.323,80 0.157,81 0.665,82 13.288,83 4.338,84 17.858,85 6.457,86 0.216,87 0.57,88 12.079,89 3.519,90 21.964,91 5.131,92 0.127,93 0.393,94 9.801,95 3.127,96 18.887,97 4.463,98 0.18,99 0.237,100 7.595,101 2.112,102 22.03,103 3.094,104 2,105 25,106 0.298,107 0.75,108 0.88,109 0.893,110 0.893,111 0.893,112 2.855,113 0.903,114 -2.34,115 -2.37,116 -2.33,119 41.4,121 1,125 2,134 1,135 1,140 2,141 1,144 1,145 1,149 1,150 1,169 4,172 2,174 1,176 5,178 3,182 2,184 1,186 4,189 1,193 2,197 4,199 2,207 1,208 1,211 3,218 1,219 1,220 2,222 2,231 1,241 1,242 1,259 242,260 11.069,261 11.069,262 11.069,263 11.069,264 11.069,265 9.665,266 9.314,267 6.624,268 11.3,269 8.909,270 8.909,271 8.909,272 8.909,273 8.909,274 6.774,275 8.123,276 3.166,277 9.285,278 3.306,279 0.949,280 0.276,281 0.207,282 0.207,283 0.207,284 3.533,288 1,289 1,290 221,291 1.581,294 27.787,295 76.123,298 52.447,302 0.977,303 12.449,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 34.5,315 101,316 4.606,317 3.225,318 6.716,319 4.142,320 3.166,321 4.543,322 0.657,323 10.933,324 3.093,325 3.917,326 2.742,327 5.754,328 3.504,329 2.529,330 3.334,332 7.785,333 2.463,334 3.537,335 2.394,336 4.962,337 3.07,338 2.141,339 2.921,341 5.833,342 1.981,343 3.102,344 1.958,345 4.632,346 2.697,347 1.739,348 2.319,350 4.646,351 1.662,352 2.685,353 1.512,354 4.026,355 2.282,356 1.336,357 1.754,359 3.326,360 1.261,361 2.419,362 1.341,363 3.499,364 2.017,365 1.073,366 1.377,368 2.587,369 1.01,370 2.119,371 1.164,372 3.247,373 1.984,374 1,375 1.046,377 2.136,378 0.983,379 1.977,380 0.667,381 3.202,382 1.533,383 0.58,384 0.811,386 1.421,387 0.551,388 1.01,389 -0.022,390 2.378,391 0.597,392 -0.315,393 -0.386,395 -0.737,396 -0.283,397 0.636,398 -0.456,399 2.356,400 0.24,401 -0.718,402 -0.801,404 -1.694,405 -0.685,406 0.336,407 -0.639,408 2,409 0.065,410 -0.909,411 -1.124,413 -2.347,414 -0.884,415 0.275,416 -0.879,417 1.822,418 -0.049,419 -1,420 -1.322,422 -2.704,423 -0.946,424 -0.012,425 -1.075,426 1.555,427 -0.367,428 -1.274,429 -1.598,431 -3.098,432 -1.153,433 -0.093,434 -1.463,435 1.122,436 -0.537,437 -1.511,438 -2.009,440 -4.578,441 -1.468,442 -0.421,443 -1.666,444 1.031,445 -0.914,446 -1.889,447 -2.379,449 -4.789,450 -1.794,451 7.533,452 0.471,453 0.329,454 0.021,455 20.75,456 1.297,457 10,458 0.625,459 10.75,460 0.672,461 10.13,462 0.633,463 17.067,464 0.589,465 12.083,466 0.755,467 4.138,468 0.259,469 3.705,470 0.232,471 0.044,473 0.332,479 1.067,480 1.232,481 0.826,482 0.942,483 0.975,484 0.859,485 0.749,486 1.175,487 0.884,488 1.017,489 0.515,490 0.968,491 0.804,492 0.991,493 0.923,494 0.991,495 0.704,496 0.974,497 0.782,498 1.114,499 0.974,500 1.128,501 0.791,502 1.089,503 0.808,504 1.11,505 0.969,506 1.088,507 0.75,508 1.051,509 1.324,510 0.814,511 1.264,512 0.988,513 1.276,514 1.088,515 1.406,516 1.01,517 1.201,518 1.141,519 1.706,520 1.157,521 1.601,522 0.725,523 1.153,524 0.835,525 2.146,526 0.95,527 2.5,529 1.778,530 0.944,531 0.689,532 0.344,533 0.161,534 0.071,535 0.02,537 1967,538 4960,539 2.174,540 44.8,542 7,543 1,545 3,547 2,550 1.554,551 2.087,552 2.734,553 1.25,555 1,556 1,557 1,559 45.001,560 1.552,561 3.909,562 4.582,563 4.651,564 4.651,565 4.651,566 2.18,567 3.453,568 3.975,569 2.778,570 333.356,571 6.705,572 2795.9,574 1,576 1,577 140.881,578 1.198,579 3.954,580 0.139,582 0.071,583 0.041,584 0.036,585 0.022,586 0.015,587 0.012,588 0.01,590 0.346,591 0.67,592 1,593 0.5,594 62.976,595 -0.163,596 -0.048,597 0.017,598 0.082,599 -0.131,600 0.078,601 0.034,602 -0.047,603 -0.013,604 -0.02,605 0.124,606 -0.021,607 -0.016,608 0.009,609 0.008,610 -0.005,611 0.027,612 0.004,613 -0.036,614 -0.151,615 -0.048,616 -0.124,617 -0.041,618 -0.093,619 0.082,620 -0.151,621 -0.001,622 -0.138,623 0.077,624 -0.087,625 -0.139,626 0.166,627 -0.258,628 -0.097,629 -0.155,630 -0.178,631 -0.162,632 -0.188,633 -0.167,634 -0.189,635 -0.232,636 -0.184,637 0.019,638 -0.018,639 -0.018,640 0.076,641 -0.146,642 0.016,643 1.595,644 3.415,645 0.938,646 8.016,647 1.002,648 1.13,649 1.105,650 1.221,651 0.665,652 2.944,653 3.258,654 3.555,655 3.85,656 4.06,657 4.06,658 4.111,659 4.159,660 3.989,661 3.85,662 3.923,663 0.635,664 215.28,665 2.944,666 4.466,667 5.323,668 6.205,669 7.084,670 7.974,671 8.862,672 9.756,673 10.647,674 11.542,675 10.3,677 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,711 1,714 29,716 11,718 18,720 31,721 12,722 7,725 2,730 3,731 4,740 1,743 1,745 9,746 3,750 1,757 1,759 1,761 1,764 13,765 3,766 3,767 4,773 3,777 0.667,778 1,786 1,788 1,792 1,793 2,796 1,810 1,811 1,814 1,819 2,827 16,832 1,833 3,834 1,847 3.4,849 1,854 7.667,855 4.983,856 3.5,857 1.719,858 2.364,859 1.374,860 1.006,861 2.328,862 8.688,863 3.219,864 3.855,865 4.507,866 5.154,867 5.672,868 6.008,869 6.343,870 6.692,871 6.591,872 6.673,873 1,874 23,875 5.894,877 2.527,878 7.677,879 11.401,881 9.548,883 2.177,884 34.833,885 0.004,888 117.711,889 54.882,890 51.582,892 42.683,895 54.882,896 160.394,897 51.582,899 6.746,900 55.487,901 59.469,902 25.301,903 13.915,904 105.94,906 117.711,907 106.463,908 42.683,911 94.169,912 66.226,915 43.686,916 36.515,917 26.262,919 117.711,920 94.265,921 54.882,924 117.711,925 17.405,926 37.476,927 34.796,928 59.469,929 117.711,930 94.265,931 54.882,933 0.577,934 0.339,935 0.194,936 0.11,937 14,938 5,939 0.032,940 1,941 1,942 1.133,943 2.895,944 113.401,945 0.133,946 15,947 64,951 9.725,952 3.831,953 1.707,954 1.82,955 77.48,956 5.413,957 4.174,958 3.178,961 1.176,963 77.48,964 266.858,965 24,972 2.178,974 1.295,975 29.051,976 32.78,977 0.319,978 0.805,979 0.943,980 0.957,981 0.957,982 0.957,983 4.437,984 0.58,985 5.293,986 2.136,987 3.932,988 4.538,989 0.623,990 6.107,991 3.857,992 5.648,993 -0.315,994 6.845,995 1.421,996 3.434,997 4.388,999 7.018,1000 3.336,1001 6.966,1002 -0.718,1003 8.502,1004 -0.737,1005 5.509,1006 6.826,1007 0.317,1008 10.158,1009 5.38,1010 8.327,1011 -0.909,1012 10.226,1013 -1.694,1014 5.889,1015 7.585,1017 11.967,1018 5.749,1019 9.726,1020 -1,1021 11.994,1022 -2.347,1023 7.407,1024 9.461,1025 0.149,1026 14.611,1027 7.237,1028 11.151,1029 -1.274,1030 13.792,1031 -2.704,1032 8.2,1033 10.635,1035 16.77,1036 8.02,1037 12.597,1038 -1.511,1039 15.614,1040 -3.098,1041 9.489,1042 12.29,1043 0.067,1044 19.25,1045 9.282,1046 3.166,1047 -1.889,1048 17.452,1049 -4.578,1050 10.477,1051 13.655,1053 21.548,1054 10.256,1055 2.529,1056 10.933,1057 19.304,1058 -4.789,1059 11.675,1060 15.222,1061 0.03,1062 23.971,1063 11.429,1064 2.141,1065 7.785,1066 21.165,1067 4.543,1068 12.752,1069 16.671,1071 26.324,1072 12.488,1073 1.739,1074 5.833,1075 23.034,1076 3.334,1077 13.915,1078 18.204,1079 0.013,1080 28.726,1081 13.629,1082 1.336,1083 4.646,1084 24.91,1085 2.921,1086 15.032,1087 19.69,1089 31.102,1090 14.725,1091 1.073,1092 3.326,1093 26.791,1094 2.319,1095 16.185,1096 21.21,1097 0.006,1098 33.497,1099 15.855,1100 1,1101 2.587,1102 28.675,1103 1.754,1104 17.319,1105 22.711,1107 35.882,1108 16.968,1109 1917,1110 3120,1111 12.425,1112 19.279,1113 27.391,1114 27.32,1115 27.635,1116 27.168,1117 27.125,1118 36.208,1119 1.315,1120 77.335,1121 26.006,1122 5.528,1123 5.225,1124 6.518,1125 5.183,1126 5.166,1127 7.543,1128 1.315,1129 18.059,1130 5.047,1131 4.554,1132 1.522,1133 1.518,1134 1.535,1135 1.509,1136 1.507,1137 2.012,1138 0.073,1139 4.296,1140 1.445,1141 4.122,1142 4.16,1143 4.089,1144 4.013,1145 6.476,1146 4.027,1147 3.774,1148 3.835,1149 3.669,1150 3.64,1151 4.989,1152 3.64,1153 3.392,1154 3.441,1155 3.31,1156 3.218,1157 4.47,1158 3.23,1159 3.04,1160 3.131,1161 2.884,1162 2.876,1163 4.188,1164 2.851,1165 2.977,1166 3.06,1167 2.79,1168 2.726,1169 3.895,1170 2.75,1171 2.751,1172 2.827,1173 2.605,1174 2.503,1175 3.65,1176 2.521,1177 2.502,1178 2.564,1179 2.372,1180 2.26,1181 3.445,1182 2.269,1183 2.172,1184 2.283,1185 1.935,1186 1.819,1187 2.976,1188 1.835,1189 0.256,1190 0.179,1191 0.373,1192 0.23,1193 0.176,1194 4.606,1195 0.252,1196 3.225,1197 0.037,1198 6.716,1199 0.607,1200 4.142,1201 0.172,1202 3.166,1203 4.543,1204 0.657,1205 10.933,1206 3.093,1207 1.903,1208 1.874,1209 2.022,1210 2.026,1211 1.276,1212 2.024,1213 1.785,1214 1.739,1215 1.907,1216 1.957,1217 0.994,1218 1.949,1219 1.401,1220 1.334,1221 1.573,1222 1.639,1223 0.703,1224 1.624,1225 1.079,1226 1.001,1227 1.432,1228 1.299,1229 0.656,1230 1.35,1231 1.023,1232 0.968,1233 1.223,1234 1.268,1235 0.295,1236 1.254,1237 0.732,1238 0.646,1239 1.022,1240 0.997,1241 0.166,1242 1.004,1243 0.583,1244 0.517,1245 0.856,1246 0.923,1248 0.919,1249 0.084,1251 0.675,1252 0.469,1254 0.548,1255 3.611,1257 4.92,1258 2.398,1259 6.438,1260 4.727,1261 8.048,1262 6.843,1263 9.708,1270 9.415,1271 2.905,1272 3.28,1280 18.413,1281 45.001,1282 113.372,1283 132.881,1284 134.881,1285 134.881,1286 134.881,1287 16.715,1288 6.324,1289 60.94,1290 60.94,1291 17,1292 12.068,1293 3.585,1294 2.807,1295 21.701,1296 37,1297 34,1298 0.302,1299 113.44,1300 185.87,1301 268.555,1302 3820,1304 10.958,1305 0.685,1306 0.552,1307 10.958,1308 8.825,1309 7.843,1310 0.436,1311 0.301,1312 5.345,1313 7.567,1314 5.262,1315 4.336,1316 7.843,1317 5.416,1318 6.981,1319 0.279,1320 0.158,1321 6.981,1322 3.951,1323 5.986,1324 0.176,1325 0.086,1326 5.986,1327 2.918,1328 5.139,1329 0.112,1330 0.046,1331 5.139,1332 2.101,1333 4.231,1334 0.074,1335 0.025,1336 4.231,1337 1.419,1338 0.444,1339 49,1340 0.284,1341 15.824,1342 0.915,1343 86,1344 226.461,1345 93.377,1346 223.387,1347 312.05,1348 210,1349 102,1350 235.946,1351 109.184,1352 239.56,1353 352.71,1354 227,1355 5.658} {0 CHEMBL304197,1 1.473,2 14.032,3 2.695,4 7.262,5 124.912,6 7.061,7 0.6,8 4.183,9 4.318,10 3.72,11 3.696,12 5.213,13 3.673,14 4.738,15 4.931,16 4.053,17 4.119,18 5.674,19 4.069,20 5.004,21 5.23,22 4.018,23 4.277,24 5.857,25 4.162,26 5.117,27 5.386,28 3.972,29 4.282,30 5.888,31 4.137,32 5.102,33 5.375,34 3.96,35 4.205,36 5.949,37 4.075,38 5.014,39 5.276,40 3.886,41 4.144,42 5.869,43 4.016,44 4.956,45 5.235,46 3.811,47 4.061,48 5.761,49 3.922,50 4.843,51 5.117,52 3.639,53 3.935,54 5.676,55 3.799,56 0.077,57 0.932,58 13.202,59 5.083,60 13.156,61 7.209,62 0.268,63 1.512,64 24.644,65 8.265,66 20.76,67 12.149,68 0.36,69 1.777,70 33.242,71 12.082,72 33.621,73 17.505,74 0.254,75 1.86,76 38.31,77 13.912,78 33.095,79 20.674,80 0.436,81 1.771,82 38.726,83 12.967,84 49.421,85 19.205,86 0.425,87 1.661,88 35.149,89 11.66,90 44.893,91 17.267,92 0.361,93 1.573,94 33.2,95 11.089,96 35.983,97 16.814,98 0.347,99 1.389,100 29.832,101 9.378,102 38.709,103 14.163,104 2,105 48,106 0.238,107 0.565,108 0.725,109 0.81,110 0.84,111 0.84,112 3.471,113 0.931,114 -4.17,115 -4.12,116 -3.89,119 40.7,121 1,125 6,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 10,171 2,172 3,176 4,178 10,181 1,182 5,184 1,186 4,189 7,193 8,197 1,199 2,203 8,206 1,207 1,208 1,211 1,215 6,218 2,220 1,226 6,229 3,231 1,236 1,237 3,242 1,244 1,249 1,252 3,254 2,256 3,259 1699,260 21.532,261 21.532,262 21.532,263 21.532,264 21.532,265 19.093,266 23.101,267 12.936,268 22.016,269 17.352,270 17.352,271 17.352,272 17.352,273 17.352,274 13.79,275 26.628,276 6.235,277 18.152,278 4.409,279 2.377,280 1.389,281 0.86,282 0.678,283 0.678,284 4.184,288 1,289 1,290 977,291 3.162,294 162.723,295 312.098,298 138.113,302 2.229,303 18.273,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 435,316 4.571,317 3.219,318 6.572,319 4.107,320 3.126,321 4.519,322 0.916,323 10.462,324 3.069,325 4.131,326 3.072,327 6.098,328 3.71,329 2.773,330 3.732,331 0.8,332 8.897,333 2.607,334 3.941,335 2.918,336 5.636,337 3.672,338 2.73,339 3.457,340 0.172,341 7.838,342 2.583,343 3.673,344 2.805,345 5.462,346 3.495,347 2.538,348 2.847,350 7.325,351 2.415,352 3.473,353 2.487,354 5.201,355 3.225,356 2.267,357 2.671,359 6.394,360 2.161,361 3.288,362 2.277,363 4.987,364 2.964,365 2.017,366 2.591,368 5.887,369 1.907,370 3.213,371 1.956,372 4.642,373 2.755,374 1.807,375 2.328,377 4.842,378 1.707,379 2.934,380 1.782,381 4.506,382 2.658,383 1.703,384 2.04,386 4.646,387 1.62,388 2.788,389 1.517,390 4.072,391 2.404,392 1.413,393 1.868,395 3.308,396 1.397,397 2.681,398 1.279,399 3.591,400 2.204,401 1.236,402 1.738,404 3.035,405 1.194,406 2.5,407 1.146,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.383,416 1,417 3.34,418 1.967,419 1,420 1.33,422 2.145,423 0.965,424 2.118,425 0.97,426 3.247,427 1.883,428 0.921,429 1,431 2.136,432 0.883,433 2.075,434 0.693,435 3.208,436 1.583,437 0.629,438 0.927,440 1.545,441 0.599,442 2,443 0.618,444 3,445 1.518,446 0.618,447 0.893,449 1.372,450 0.556,451 14.733,452 0.475,453 0.602,454 0.019,455 39,456 1.258,457 18,458 0.581,459 21,460 0.677,461 26.599,462 0.858,463 33.267,464 0.564,465 27.643,466 0.892,467 7.839,468 0.253,469 7.403,470 0.239,471 0.023,473 0.285,479 0.943,480 1.421,481 0.838,482 1.118,483 0.875,484 0.991,485 1.207,486 1.045,487 1.025,488 0.94,489 0.852,490 0.947,491 1.036,492 1.038,493 1.134,494 1.114,495 1.058,496 1.138,497 0.715,498 1.055,499 0.931,500 1.096,501 0.658,502 1.049,503 1.107,504 0.937,505 0.934,506 0.955,507 1.357,508 0.938,509 1.203,510 0.987,511 1.038,512 1,513 1.418,514 1.01,515 0.781,516 1.007,517 0.916,518 1.012,519 0.785,520 0.986,521 1.286,522 0.932,523 1.106,524 0.981,525 1.337,526 1.015,527 5.5,528 0.111,529 2.667,530 1.444,531 1.272,532 0.761,533 0.586,534 0.333,535 0.224,536 0.188,537 15991,538 36629,539 2.2,540 47.5,542 21,543 1,544 2,545 2,547 2,550 1.731,551 2.138,552 3.76,553 0.193,555 1,559 86.921,560 1.473,561 3.505,562 4.493,563 5.022,564 5.205,565 5.205,566 3.244,567 4.567,568 4.924,569 3.952,570 1837.61,571 8.569,572 27601.7,574 1,577 347.076,578 1.058,579 4.918,580 0.157,581 0.005,582 0.056,583 0.033,584 0.031,585 0.019,586 0.016,587 0.01,588 0.008,589 0.007,590 0.341,591 0.33,592 0.88,593 0.32,594 164.806,595 0.023,596 -0.194,597 0.073,598 -0.054,599 -0.005,601 -0.128,602 0.121,603 -0.069,604 0.05,605 -0.051,606 0.009,607 -0.072,608 -0.012,609 -0.177,610 -0.094,611 -0.08,612 -0.142,613 0.034,614 -0.125,615 0.034,616 -0.081,617 0.086,618 -0.031,619 0.033,620 -0.026,621 0.073,622 0.026,623 0.006,624 0.049,625 -0.033,626 -0.044,627 -0.036,628 -0.022,629 -0.076,630 -0.031,631 0.135,632 -0.073,633 0.076,634 -0.039,635 0.078,636 0.003,637 -0.131,638 0.021,639 -0.096,640 -0.031,641 -0.116,642 -0.053,643 1.724,644 4.793,645 0.839,646 36.614,647 0.994,648 1.132,649 2.944,650 8.668,651 0.659,652 3.584,653 3.892,654 4.159,655 4.431,656 4.605,657 4.673,658 4.844,659 4.963,660 5.004,661 5.056,662 8.176,663 0.621,664 416.58,665 3.584,666 5.118,667 5.964,668 6.832,669 7.691,670 8.564,671 9.431,672 10.307,673 11.178,674 12.056,675 10.2,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 59,716 21,717 2,718 35,720 63,721 24,722 16,723 4,724 8,730 5,731 6,743 2,745 16,746 8,761 1,764 28,765 5,766 2,767 7,773 6,777 0.8,778 1,780 1,788 1,792 2,793 3,796 1,815 2,817 1,819 4,827 31,832 1,833 7,837 1,838 2,844 1,847 1.7,848 1,854 14.5,855 10.2,856 6.75,857 3.516,858 3.567,859 1.44,860 0.993,861 6.027,862 11.671,863 3.839,864 4.419,865 5.002,866 5.596,867 6.034,868 6.364,869 6.823,870 7.244,871 7.442,872 7.676,873 1,874 44,875 11.472,877 4.883,878 7.522,879 22.549,881 18.999,883 2.022,884 62.667,887 1,888 306.049,889 131.108,890 58.259,892 42.683,895 131.108,896 348.732,897 58.259,899 15.169,900 127.541,901 74.105,902 36.634,903 13.915,904 270.735,906 306.049,907 189.368,908 42.683,911 282.506,912 23.542,913 42.683,915 57.339,916 98.702,917 33.326,919 306.049,920 100.943,921 131.108,924 306.049,925 29.014,926 110.242,927 16.786,928 76.009,929 306.049,930 100.943,931 131.108,933 0.576,934 0.331,935 0.184,936 0.095,937 24,938 9,939 0.111,940 7,941 1,942 1.077,943 4.505,944 275.755,945 0.077,946 26,947 139.58,951 20.252,952 9.226,953 4.821,954 2.214,955 82.258,956 22.263,957 7.774,958 3.327,961 3.517,962 1.89,963 59.469,964 538.1,965 45.5,975 58.658,976 66.766,977 0.25,978 0.596,979 0.764,980 0.854,981 0.885,982 0.885,983 5.064,984 1.703,985 5.922,986 4.842,987 4.575,988 5.106,989 1.242,990 6.691,991 4.489,992 6.238,993 1.413,994 7.445,995 4.646,996 4.007,997 4.732,998 0.57,999 7.466,1000 3.865,1001 7.518,1002 1.236,1003 9.065,1004 3.308,1005 6.125,1006 7.268,1007 0.883,1008 10.563,1009 5.959,1010 8.834,1011 1,1012 10.744,1013 3.035,1014 6.415,1015 7.842,1016 0.581,1017 12.208,1018 6.201,1019 10.187,1020 1,1021 12.463,1022 2.275,1023 7.943,1024 9.773,1025 0.68,1026 14.789,1027 7.71,1028 11.567,1029 0.921,1030 14.209,1031 2.145,1032 8.641,1033 10.816,1034 0.515,1035 16.81,1036 8.372,1037 12.968,1038 0.629,1039 15.977,1040 2.136,1041 9.92,1042 12.492,1043 0.541,1044 19.216,1045 9.633,1046 3.126,1047 0.618,1048 17.761,1049 1.545,1050 10.822,1051 13.771,1052 0.441,1053 21.407,1054 10.511,1055 2.773,1056 10.462,1057 19.558,1058 1.372,1059 11.995,1060 15.338,1061 0.438,1062 23.756,1063 11.666,1064 2.73,1065 8.897,1066 21.366,1067 4.519,1068 13.001,1069 16.732,1070 0.373,1071 26.023,1072 12.655,1073 2.538,1074 7.838,1075 23.183,1076 3.732,1077 14.13,1078 18.256,1079 0.358,1080 28.357,1081 13.77,1082 2.267,1083 7.325,1084 25.007,1085 3.457,1086 15.189,1087 19.706,1088 0.314,1089 30.661,1090 14.815,1091 2.017,1092 6.394,1093 26.839,1094 2.847,1095 16.304,1096 21.214,1097 0.296,1098 32.993,1099 15.918,1100 1.807,1101 5.887,1102 28.676,1103 2.671,1104 17.391,1105 22.691,1106 0.264,1107 35.315,1108 16.993,1109 14554,1110 22208,1111 24.444,1112 38.864,1113 52.646,1114 51.849,1115 52.127,1116 52.092,1117 52.064,1118 67.429,1119 3.778,1120 145.491,1121 49.816,1122 5.571,1123 5.219,1124 6.374,1125 5.174,1126 5.126,1127 7.519,1128 1.605,1129 17.208,1130 5.069,1131 7.101,1132 1.504,1133 1.481,1134 1.489,1135 1.488,1136 1.488,1137 1.927,1138 0.108,1139 4.157,1140 1.423,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 6.449,1146 4.07,1147 3.945,1148 3.995,1149 3.862,1150 3.861,1151 5.135,1152 3.855,1153 3.835,1154 3.907,1155 3.791,1156 3.636,1157 4.925,1158 3.65,1159 3.792,1160 3.853,1161 3.689,1162 3.573,1163 4.755,1164 3.607,1165 3.539,1166 3.595,1167 3.415,1168 3.363,1169 4.348,1170 3.37,1171 3.294,1172 3.36,1173 3.195,1174 3.124,1175 4.251,1176 3.133,1177 3.157,1178 3.236,1179 3.012,1180 2.978,1181 3.895,1182 2.973,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.79,1188 2.91,1189 0.131,1190 0.092,1191 0.188,1192 0.117,1193 0.089,1194 4.571,1195 0.129,1196 3.219,1197 0.026,1198 6.572,1199 0.299,1200 4.107,1201 0.088,1202 3.126,1203 4.519,1204 0.916,1205 10.462,1206 3.069,1207 1.96,1208 1.936,1209 2.066,1210 2.066,1211 1.354,1212 2.068,1213 1.922,1214 1.888,1215 2.037,1216 2.045,1217 1.244,1218 2.044,1219 1.777,1220 1.715,1221 1.965,1222 1.95,1223 1.131,1224 1.961,1225 1.632,1226 1.578,1227 1.823,1228 1.817,1229 1.055,1230 1.823,1231 1.404,1232 1.334,1233 1.574,1234 1.666,1235 0.825,1236 1.641,1237 1.316,1238 1.255,1239 1.513,1240 1.533,1241 0.739,1242 1.53,1243 1.153,1244 1.064,1245 1.491,1246 1.442,1247 0.614,1248 1.429,1249 1.132,1250 1.063,1251 1.409,1252 1.376,1253 0.577,1254 1.379,1255 4.263,1257 5.572,1258 3.045,1259 7.064,1260 5.283,1261 8.637,1262 7.286,1263 10.256,1270 10.793,1271 6.41,1275 -0.391,1276 4.869,1280 36.638,1281 86.921,1282 206.809,1283 265.102,1284 296.321,1285 307.076,1286 307.076,1287 42.051,1288 8.104,1289 73.21,1290 73.21,1291 28,1292 12.595,1293 4.459,1294 3.524,1295 43.976,1296 153,1297 152,1298 0.137,1299 222.435,1300 369.39,1301 534.502,1302 44636,1304 21.045,1305 0.679,1306 0.566,1307 21.045,1308 17.561,1309 15.242,1310 0.435,1311 0.31,1312 10.707,1313 14.661,1314 10.503,1315 8.652,1316 15.242,1317 10.862,1318 13.582,1319 0.283,1320 0.174,1321 13.582,1322 8.333,1323 11.467,1324 0.182,1325 0.097,1326 11.467,1327 6.106,1328 9.809,1329 0.118,1330 0.053,1331 9.809,1332 4.418,1333 7.575,1334 0.077,1335 0.031,1336 7.575,1337 3.083,1338 0.222,1339 95.285,1340 0.202,1341 29.869,1342 0.353,1343 166,1344 410.708,1345 179.288,1346 404.498,1347 563.69,1348 382,1349 194,1350 422.749,1351 209.066,1352 431.143,1353 624.61,1354 405,1355 8.745} {0 CHEMBL304426,1 1.316,2 7.955,3 4.582,4 20.997,5 93.158,6 6.218,7 0.417,8 3.927,9 4.068,10 3.345,11 3.476,12 4.851,13 3.411,14 4.527,15 4.739,16 3.68,17 3.903,18 5.323,19 3.803,20 4.814,21 5.068,22 3.789,23 4.081,24 5.558,25 3.952,26 4.919,27 5.172,28 3.797,29 4.158,30 5.685,31 4.01,32 5.003,33 5.274,34 3.695,35 4.173,36 5.707,37 3.983,38 5.039,39 5.345,40 3.557,41 4.076,42 5.741,43 3.864,44 4.872,45 5.189,46 3.33,47 3.881,48 5.582,49 3.663,50 4.561,51 4.851,52 3.122,53 3.65,54 5.319,55 3.446,56 0.053,57 0.68,58 11.653,59 4.784,60 8.325,61 6.905,62 0.144,63 1.141,64 21.248,65 8.03,66 13.936,67 11.921,68 0.193,69 1.433,70 28.094,71 10.468,72 20.925,73 15.671,74 0.276,75 1.551,76 31.269,77 11.848,78 26.762,79 17.482,80 0.195,81 1.608,82 33.424,83 13.411,84 25.312,85 19.513,86 0.285,87 1.568,88 34.723,89 13.014,90 35.087,91 19.199,92 0.303,93 1.29,94 29.377,95 10.764,96 34.142,97 15.971,98 0.162,99 0.984,100 21.483,101 8.153,102 21.22,103 11.969,104 24,105 33,106 0.227,107 0.549,108 0.764,109 0.806,110 0.806,111 0.806,112 3.148,113 1.074,114 -4.48,115 -4.4,116 -4.15,119 39.6,120 2,121 5,125 2,127 1,140 2,141 4,149 1,150 1,153 1,169 10,172 5,176 3,178 11,182 5,186 2,189 11,193 3,195 1,197 2,199 10,203 5,208 1,211 11,215 3,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 6,249 2,254 2,256 2,259 602,260 15.386,261 15.386,262 15.386,263 15.386,264 15.386,265 14.184,266 14.201,267 9.213,268 15.532,269 11.722,270 11.722,271 11.722,272 11.722,273 11.722,274 9.761,275 15.648,276 4.082,277 11.968,278 4.269,279 2.396,280 1.146,281 0.906,282 0.906,283 0.906,284 3.83,288 1,289 1,290 369,291 3.317,294 40.473,295 85.808,298 68.667,299 73.354,302 1.149,303 13.244,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 46,315 175,316 4.687,317 3.408,318 6.919,319 4.258,320 3.266,321 4.646,322 0.8,323 11.66,324 3.241,325 3.963,326 3.086,327 6.165,328 3.78,329 2.827,330 3.365,332 9.131,333 2.7,334 3.696,335 2.868,336 5.828,337 3.438,338 2.459,339 2.835,341 7.946,342 2.399,343 3.418,344 2.505,345 5.112,346 2.97,347 1.981,348 2.725,350 5.898,351 1.954,352 2.959,353 1.979,354 4.648,355 2.641,356 1.65,357 2.097,359 4.678,360 1.635,361 2.673,362 1.699,363 4.408,364 2.572,365 1.584,366 1.68,368 4.221,369 1.56,370 2.398,371 1.597,372 3.701,373 2.237,374 1.247,375 1.271,377 2.165,378 1.233,379 2.247,380 1.298,381 3.315,382 1.881,383 0.887,384 1.247,386 2.117,387 0.876,388 2.067,389 0.915,390 3.247,391 1.805,392 0.834,393 0.953,395 1.91,396 0.808,397 1.977,398 0.852,399 2.867,400 1.625,401 0.629,402 0.676,404 0.998,405 0.623,406 1.648,407 0.666,408 2.695,409 1.388,410 0.314,411 0.49,413 0.488,414 0.335,415 0.892,416 -0.167,417 2.523,418 0.637,419 -0.349,420 -0.401,422 -0.632,423 -0.343,424 0.77,425 -0.287,426 2.252,427 0.521,428 -0.445,429 -0.445,431 -0.832,432 -0.428,433 0.555,434 -0.377,435 2.163,436 0.402,437 -0.605,438 -0.75,440 -1.477,441 -0.608,442 0.288,443 -0.866,444 2,445 0.048,446 -0.944,447 -1.058,449 -1.874,450 -0.933,451 10.633,452 0.483,453 0.393,454 0.018,455 23,456 1.045,457 9.5,458 0.432,459 13.5,460 0.614,461 22.451,462 1.021,463 24.767,464 0.516,465 13.931,466 0.633,467 4.02,468 0.183,469 6.759,470 0.307,471 0.125,473 0.32,479 0.748,480 1.361,481 0.973,482 1.179,483 0.521,484 1.104,485 0.937,486 1.133,487 0.992,488 1.011,489 0.592,490 0.999,491 0.804,492 1.024,493 0.927,494 0.952,495 0.421,496 0.94,497 0.863,498 1.022,499 1.045,500 1.041,501 0.668,502 1.05,503 0.636,504 1.149,505 1.014,506 1.171,507 0.64,508 1.134,509 0.82,510 0.958,511 0.925,512 0.982,513 0.893,514 0.968,515 0.928,516 0.793,517 0.899,518 0.836,519 1.061,520 0.863,521 0.935,522 1.005,523 1.024,524 1.049,525 1.037,526 1.047,527 3.5,529 2.667,530 1.41,531 1.223,532 0.722,533 0.517,534 0.314,535 0.177,536 0.121,537 4315,538 8352,539 2.07,540 54.2,541 8,542 7,543 1,544 1,545 1,547 8,550 1.652,551 1.941,552 3.013,553 -0.399,559 63.156,560 1.316,561 3.189,562 4.439,563 4.679,564 4.679,565 4.679,566 2.431,567 3.914,568 4.429,569 3.128,570 722.647,571 7.644,572 7766.53,574 1,577 268.078,578 1.395,579 4.392,580 0.146,582 0.081,583 0.039,584 0.035,585 0.024,586 0.021,587 0.016,588 0.011,589 0.012,590 0.384,591 0.67,592 1,593 1.504,594 99.107,595 0.012,596 -0.101,597 0.056,598 -0.011,599 0.04,600 0.019,601 -0.062,602 0.016,603 0.021,604 0.047,605 -0.009,606 0.042,607 -0.015,608 0.046,609 0.06,610 0.058,611 0.069,612 0.067,613 0.019,614 0.028,615 -0.058,616 -0.03,617 0.049,618 -0.045,619 0.028,620 -0.177,621 -0.065,622 -0.154,623 0.028,624 -0.124,625 0.056,626 -0.045,627 0.03,628 -0.032,629 0.005,630 -0.009,631 0.05,632 0.1,633 0.06,634 0.093,635 -0.031,636 0.079,637 -0.035,638 -0.067,639 -0.064,640 -0.079,641 -0.059,642 -0.074,643 1.015,644 4.357,645 0.591,646 15.636,647 0.982,648 1.129,649 3.247,650 10.543,651 0.638,652 3.219,653 3.526,654 3.871,655 4.19,656 4.431,657 4.554,658 4.71,659 4.86,660 4.883,661 4.796,662 4.969,663 0.585,664 298.47,665 3.219,666 4.745,667 5.617,668 6.512,669 7.41,670 8.317,671 9.225,672 10.136,673 11.048,674 11.962,675 4.2,678 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 48,716 11,717 1,718 24,720 50,721 19,722 8,723 4,724 2,725 1,730 3,731 6,736 2,740 4,743 6,745 9,746 10,750 1,755 1,757 1,761 1,764 26,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 22,833 7,837 1,838 1,847 2.1,850 1,854 11.333,855 9.033,856 5.139,857 3.496,858 2.236,859 1.315,860 0.973,861 4.751,862 9.333,863 3.434,864 3.994,865 4.653,866 5.296,867 5.819,868 6.205,869 6.583,870 6.982,871 7.077,872 7.193,873 1,874 36,875 8.184,877 3.409,878 7.485,879 16.415,881 13.896,883 1.985,884 43.667,885 0.001,887 1,888 294.278,889 88.232,890 19.91,892 25.145,895 88.232,896 319.422,897 19.91,898 17.65,899 16.884,900 28,901 48.34,902 32.04,903 13.915,904 270.735,906 294.278,907 108.142,908 25.145,911 200.109,912 119.314,915 54.444,916 42.274,917 11.424,919 294.278,920 45.055,921 88.232,924 294.278,925 31.158,926 60.199,927 16.786,928 25.145,929 294.278,930 45.055,931 88.232,933 0.558,934 0.35,935 0.211,936 0.118,937 16,938 7,939 0.12,940 6,941 2,942 1.308,943 3.325,944 177.038,945 0.308,946 13,947 92.107,951 15.454,952 6.764,953 2.914,954 2.254,955 28.269,956 6.206,958 3.239,961 3.638,963 16.786,964 427.565,965 30,970 11.357,972 0.985,975 47.134,976 54.188,977 0.236,978 0.571,979 0.795,980 0.838,981 0.838,982 0.838,983 4.668,984 0.887,985 5.595,986 2.165,987 4.205,988 4.677,989 0.673,990 6.454,991 4.166,992 5.849,993 0.834,994 7.177,995 2.117,996 3.761,997 4.543,998 0.325,999 7.469,1000 3.693,1001 7.157,1002 0.629,1003 8.866,1004 1.91,1005 5.826,1006 6.924,1007 0.379,1008 10.612,1009 5.747,1010 8.512,1011 0.314,1012 10.618,1013 0.998,1014 6.275,1015 7.74,1016 0.268,1017 12.484,1018 6.174,1019 9.91,1020 -0.349,1021 12.412,1022 0.488,1023 7.769,1024 9.576,1025 0.239,1026 15.144,1027 7.658,1028 11.338,1029 -0.445,1030 14.233,1031 -0.632,1032 8.618,1033 10.807,1034 0.188,1035 17.356,1036 8.495,1037 12.788,1038 -0.605,1039 16.074,1040 -0.832,1041 9.896,1042 12.451,1043 0.156,1044 19.865,1045 9.765,1046 3.266,1047 -0.944,1048 17.93,1049 -1.477,1050 10.924,1051 13.86,1052 0.125,1053 22.217,1054 10.786,1055 2.827,1056 11.66,1057 19.798,1058 -1.874,1059 12.124,1060 15.434,1061 0.102,1062 24.68,1063 11.98,1064 2.459,1065 9.131,1066 21.675,1067 4.646,1068 13.23,1069 16.918,1070 0.082,1071 27.089,1072 13.082,1073 1.981,1074 7.946,1075 23.56,1076 3.365,1077 14.404,1078 18.467,1079 0.066,1080 29.541,1081 14.252,1082 1.65,1083 5.898,1084 25.452,1085 2.835,1086 15.545,1087 19.981,1088 0.054,1089 31.974,1090 15.39,1091 1.584,1092 4.678,1093 27.349,1094 2.725,1095 16.714,1096 21.521,1097 0.043,1098 34.425,1099 16.555,1100 1.247,1101 4.221,1102 29.251,1103 2.097,1104 17.872,1105 23.047,1106 0.035,1107 36.87,1108 17.71,1109 4344,1110 6183,1111 16.008,1112 30.603,1113 35.967,1114 37.201,1115 37.418,1116 35.463,1117 35.357,1118 43.974,1119 1.6,1120 102.423,1121 34.726,1122 5.632,1123 5.408,1124 6.721,1125 5.273,1126 5.266,1127 7.646,1128 1.2,1129 18.941,1130 5.241,1131 10.309,1132 1.499,1133 1.55,1134 1.559,1135 1.478,1136 1.473,1137 1.832,1138 0.067,1139 4.268,1140 1.447,1141 4.165,1142 4.195,1143 4.125,1144 4.092,1145 7.452,1146 4.097,1147 3.822,1148 3.888,1149 3.711,1150 3.666,1151 4.934,1152 3.669,1153 3.619,1154 3.682,1155 3.485,1156 3.483,1157 4.384,1158 3.474,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.233,1164 3.32,1165 3.347,1166 3.392,1167 3.229,1168 3.223,1169 4.04,1170 3.215,1171 3.129,1172 3.195,1173 2.996,1174 2.908,1175 3.942,1176 2.904,1177 3.034,1178 3.119,1179 2.845,1180 2.846,1181 3.647,1182 2.845,1183 2.969,1184 3.056,1185 2.754,1186 2.71,1187 3.538,1188 2.714,1189 0.195,1190 0.142,1191 0.288,1192 0.177,1193 0.136,1194 4.687,1195 0.194,1196 3.408,1197 0.033,1198 6.919,1199 0.486,1200 4.258,1201 0.135,1202 3.266,1203 4.646,1204 0.8,1205 11.66,1206 3.241,1207 2.032,1208 2.008,1209 2.14,1210 2.116,1211 1.478,1212 2.126,1213 1.74,1214 1.676,1215 1.965,1216 1.925,1217 1.232,1218 1.94,1219 1.557,1220 1.515,1221 1.861,1222 1.768,1223 1.09,1224 1.785,1225 1.539,1226 1.465,1227 1.752,1228 1.738,1229 0.998,1230 1.759,1231 1.522,1232 1.459,1233 1.678,1234 1.674,1235 0.785,1236 1.689,1237 1.177,1238 1.1,1239 1.484,1240 1.403,1241 0.675,1242 1.435,1243 0.994,1244 0.908,1245 1.372,1246 1.249,1247 0.55,1248 1.296,1249 0.949,1250 0.868,1251 1.24,1252 1.238,1253 0.403,1254 1.234,1255 3.892,1257 5.198,1258 2.398,1259 6.727,1260 4.727,1261 8.367,1262 6.843,1263 10.066,1265 4.516,1271 8.206,1275 0.618,1276 2.648,1280 28.079,1281 63.156,1282 153.085,1283 213.059,1284 224.568,1285 224.568,1286 224.568,1287 32.839,1288 7.098,1289 36.1,1290 36.1,1291 17,1292 12.475,1293 3.585,1294 2.807,1295 34.227,1296 65,1297 66,1298 0.268,1299 173.793,1300 295.97,1301 415.814,1302 9950,1304 15.527,1305 0.706,1306 0.622,1307 15.527,1308 13.692,1309 10.779,1310 0.449,1311 0.358,1312 8.527,1313 10.528,1314 8.269,1315 6.918,1316 10.779,1317 8.591,1318 8.995,1319 0.273,1320 0.195,1321 8.995,1322 6.42,1323 7.998,1324 0.17,1325 0.105,1326 7.998,1327 4.933,1328 7.056,1329 0.109,1330 0.061,1331 7.056,1332 3.952,1333 5.799,1334 0.07,1335 0.035,1336 5.799,1337 2.944,1338 0.403,1339 66.408,1340 0.25,1341 21.151,1342 0.789,1343 114,1344 249.714,1345 119.575,1346 245.423,1347 342.7,1348 232,1349 137,1350 253.164,1351 143.158,1352 259.667,1353 383.71,1354 246,1355 6.762} {0 CHEMBL304573,1 1.325,2 7.857,3 5.028,4 25.285,5 86.783,6 6.271,7 0.435,8 3.891,9 4.035,10 3.315,11 3.428,12 4.803,13 3.366,14 4.498,15 4.714,16 3.671,17 3.854,18 5.331,19 3.761,20 4.792,21 5.053,22 3.768,23 4.016,24 5.6,25 3.892,26 4.867,27 5.124,28 3.767,29 4.079,30 5.673,31 3.94,32 4.96,33 5.241,34 3.594,35 4.083,36 5.682,37 3.89,38 4.964,39 5.284,40 3.406,41 3.977,42 5.632,43 3.753,44 4.77,45 5.099,46 3.19,47 3.786,48 5.406,49 3.548,50 4.472,51 4.782,52 3.02,53 3.522,54 5.185,55 3.312,56 0.047,57 0.725,58 11.234,59 4.65,60 5.906,61 6.626,62 0.132,63 1.199,64 20.772,65 7.801,66 14.252,67 11.444,68 0.293,69 1.51,70 28.061,71 10.065,72 27.583,73 14.84,74 0.225,75 1.629,76 30.095,77 11.335,78 25.811,79 16.231,80 0.25,81 1.639,82 32.704,83 12.633,84 29.793,85 18.01,86 0.314,87 1.498,88 32.699,89 11.985,90 35.306,91 17.499,92 0.271,93 1.18,94 26.532,95 9.904,96 26.928,97 14.774,98 0.139,99 0.935,100 19.746,101 7.385,102 16.009,103 10.842,104 19,105 32,106 0.231,107 0.54,108 0.756,109 0.799,110 0.799,111 0.799,112 3.104,113 1.077,114 -5.28,115 -5.17,116 -4.84,119 39.1,120 2,121 5,125 2,127 1,140 2,141 3,142 1,149 1,150 1,169 9,172 4,176 2,178 9,182 4,186 2,189 8,193 2,197 2,199 8,203 2,208 1,211 11,218 1,220 1,222 9,233 8,242 2,244 4,254 2,259 498,260 14.516,261 14.516,262 14.516,263 14.516,264 14.516,265 13.314,266 15.183,267 8.717,268 14.737,269 11.295,270 11.295,271 11.295,272 11.295,273 11.295,274 9.438,275 17.297,276 3.941,277 11.69,278 4.199,279 2.429,280 1.196,281 0.946,282 0.946,283 0.946,284 3.784,288 1,289 1,290 350,291 3.162,294 37.952,295 81.749,298 65.168,299 69.883,302 1.224,303 15.532,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 44.5,315 165,316 4.664,317 3.428,318 6.826,319 4.229,320 3.245,321 4.619,322 0.8,323 11.314,324 3.193,325 3.94,326 3.09,327 6.169,328 3.764,329 2.819,330 3.321,332 9.124,333 2.664,334 3.663,335 2.743,336 5.875,337 3.371,338 2.407,339 2.924,341 7.981,342 2.316,343 3.514,344 2.4,345 5.283,346 3.078,347 2.115,348 2.745,350 6.364,351 2.021,352 2.691,353 1.77,354 4.431,355 2.601,356 1.625,357 1.759,359 4.323,360 1.583,361 2.663,362 1.618,363 4.024,364 2.305,365 1.339,366 1.671,368 3.29,369 1.288,370 2.247,371 1.298,372 3.648,373 2.237,374 1.247,375 1.247,377 2.117,378 1.233,379 2.193,380 0.955,381 3.39,382 1.832,383 0.855,384 1.077,386 2.062,387 0.833,388 2.066,389 0.888,390 3.247,391 1.707,392 0.751,393 0.993,395 2,396 0.714,397 1.688,398 0.768,399 2.925,400 1.617,401 0.651,402 0.672,404 1.046,405 0.625,406 1.154,407 0.299,408 2.669,409 0.891,410 -0.052,411 -0.059,413 -0.123,414 -0.048,415 0.637,416 -0.287,417 2.458,418 0.521,419 -0.445,420 -0.445,422 -0.632,423 -0.428,424 0.555,425 -0.368,426 2.231,427 0.308,428 -0.681,429 -0.795,431 -1.595,432 -0.669,433 0.345,434 -0.536,435 1.899,436 0.161,437 -0.782,438 -0.854,440 -1.96,441 -0.721,442 0.121,443 -0.975,444 1.648,445 -0.129,446 -1.121,447 -1.18,449 -2.442,450 -1.069,451 10.086,452 0.48,453 0.431,454 0.021,455 21,456 1,457 8,458 0.381,459 13,460 0.619,461 21.944,462 1.045,463 24.114,464 0.524,465 12.106,466 0.576,467 3.592,468 0.171,469 6.649,470 0.317,471 0.127,473 0.337,477 1,479 0.654,480 1.219,481 0.94,482 1.188,483 0.53,484 1.116,485 0.76,486 1.074,487 0.935,488 1.047,489 0.507,490 1.013,491 0.836,492 0.93,493 0.918,494 0.933,495 0.694,496 0.931,497 0.935,498 1.081,499 1.014,500 1.076,501 0.805,502 1.057,503 0.896,504 1.077,505 1.069,506 1.15,507 0.967,508 1.141,509 0.812,510 0.838,511 0.947,512 0.931,513 0.838,514 0.953,515 0.415,516 0.678,517 0.82,518 0.873,519 0.449,520 0.896,521 0.588,522 0.919,523 0.887,524 1.009,525 0.576,526 0.991,527 3.5,529 2.667,530 1.181,531 1.374,532 0.632,533 0.415,534 0.286,535 0.177,536 0.121,537 3876,538 7596,539 2.074,540 54.3,541 8,542 7,543 1,545 1,547 8,550 1.637,551 1.938,552 2.994,553 -0.385,559 60.929,560 1.325,561 3.094,562 4.327,563 4.578,564 4.578,565 4.578,566 2.453,567 4.011,568 4.362,569 3.111,570 653.271,571 7.5,572 6750.43,574 1,577 254.084,578 1.418,579 4.322,580 0.152,582 0.083,583 0.035,584 0.042,585 0.024,586 0.02,587 0.017,588 0.013,589 0.015,590 0.401,591 0.67,592 1,593 1.466,594 93.037,595 0.002,596 -0.087,597 0.055,598 -0.011,599 -0.002,600 0.021,601 -0.014,602 -0.055,603 0.05,604 0.011,605 0.052,606 0.034,607 0.061,608 0.059,609 0.068,610 0.063,611 0.068,612 0.066,613 -0.03,614 -0.076,615 -0.033,616 -0.06,617 0.046,618 -0.048,619 -0.039,620 -0.122,621 -0.114,622 -0.146,623 -0.055,624 -0.142,625 -0.005,626 0.02,627 -0.006,628 0.006,629 -0.042,631 0.118,632 0.072,633 0.082,634 0.058,635 0.031,636 0.063,637 0.042,638 -0.109,639 0.035,640 -0.06,641 0.022,642 -0.023,643 1.772,644 6.063,645 0.619,646 14.558,647 0.985,648 1.137,649 4.053,650 16.428,651 0.632,652 3.178,653 3.497,654 3.829,655 4.143,656 4.369,657 4.5,658 4.644,659 4.787,660 4.779,661 4.673,662 4.864,663 0.581,664 288.45,665 3.178,666 4.71,667 5.58,668 6.475,669 7.371,670 8.276,671 9.181,672 10.09,673 10.999,674 11.911,675 4.3,678 1,683 1,687 2,688 3,690 1,693 3,695 10,713 1,714 46,716 10,717 1,718 23,720 48,721 18,722 8,723 5,724 1,730 3,731 6,736 2,740 4,743 6,745 8,746 10,762 1,764 25,765 2,766 1,767 3,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,825 1,827 21,833 7,837 1,838 1,846 1,854 10.833,855 8.676,856 4.806,857 3.393,858 2.102,859 1.302,860 0.982,861 4.416,862 9.065,863 3.367,864 3.956,865 4.594,866 5.225,867 5.715,868 6.103,869 6.449,870 6.82,871 6.835,872 6.877,873 1,874 34,875 7.854,877 3.324,878 7.532,879 15.683,881 13.355,883 2.032,884 42.667,885 0.002,887 1,888 282.506,889 82.744,890 19.91,893 14.96,895 82.744,896 282.506,897 34.87,898 17.65,899 16.884,900 28,902 37.975,903 28.875,904 270.735,906 282.506,907 102.654,908 14.96,911 203.298,912 94.169,915 54.444,916 48.209,919 297.467,920 19.91,921 82.744,924 282.506,925 37.093,926 48.775,927 16.786,928 14.96,929 282.506,930 34.87,931 82.744,933 0.565,934 0.348,935 0.208,936 0.113,937 16,938 7,939 0.104,940 5,941 2,942 1.308,943 3.252,944 165.921,945 0.308,946 13,947 86.239,951 14.743,952 6.291,953 2.772,954 1.759,955 18.084,956 5.63,958 3.044,961 2.469,963 16.786,964 400.12,965 28,975 45.32,976 52.319,977 0.24,978 0.56,979 0.783,980 0.829,981 0.829,982 0.829,983 4.61,984 0.855,985 5.565,986 2.117,987 4.174,988 4.64,989 0.673,990 6.422,991 4.109,992 5.798,993 0.751,994 7.148,995 2.062,996 3.761,997 4.543,998 0.325,999 7.413,1000 3.647,1001 7.114,1002 0.651,1003 8.837,1004 2,1005 5.796,1006 6.892,1007 0.379,1008 10.556,1009 5.673,1010 8.474,1011 -0.052,1012 10.588,1013 1.046,1014 6.256,1015 7.72,1016 0.268,1017 12.377,1018 6.093,1019 9.874,1020 -0.445,1021 12.378,1022 -0.123,1023 7.734,1024 9.542,1025 0.239,1026 15.031,1027 7.564,1028 11.302,1029 -0.681,1030 14.193,1031 -0.632,1032 8.582,1033 10.77,1034 0.188,1035 17.185,1036 8.384,1037 12.75,1038 -0.782,1039 16.027,1040 -1.595,1041 9.851,1042 12.406,1043 0.156,1044 19.68,1045 9.644,1046 3.245,1047 -1.121,1048 17.873,1049 -1.96,1050 10.873,1051 13.808,1052 0.125,1053 21.979,1054 10.646,1055 2.819,1056 11.314,1057 19.73,1058 -2.442,1059 12.066,1060 15.376,1061 0.102,1062 24.42,1063 11.829,1064 2.407,1065 9.124,1066 21.595,1067 4.619,1068 13.165,1069 16.852,1070 0.082,1071 26.784,1072 12.913,1073 2.115,1074 7.981,1075 23.466,1076 3.321,1077 14.333,1078 18.396,1079 0.066,1080 29.209,1081 14.071,1082 1.625,1083 6.364,1084 25.343,1085 2.924,1086 15.468,1087 19.903,1088 0.054,1089 31.602,1090 15.193,1091 1.339,1092 4.323,1093 27.224,1094 2.745,1095 16.63,1096 21.438,1097 0.043,1098 34.023,1099 16.345,1100 1.247,1101 3.29,1102 29.11,1103 1.759,1104 17.782,1105 22.958,1106 0.035,1107 36.432,1108 17.484,1109 3885,1110 5604,1111 15.315,1112 29.086,1113 34.312,1114 34.619,1115 35.985,1116 34.177,1117 34.109,1118 42.057,1119 1.6,1120 99.241,1121 32.943,1122 5.61,1123 5.428,1124 6.628,1125 5.243,1126 5.245,1127 7.619,1128 1.2,1129 18.828,1130 5.193,1131 9.896,1132 1.492,1133 1.505,1134 1.565,1135 1.486,1136 1.483,1137 1.829,1138 0.07,1139 4.315,1140 1.432,1141 4.158,1142 4.19,1143 4.12,1144 4.079,1145 8.201,1146 4.084,1147 3.817,1148 3.885,1149 3.703,1150 3.656,1151 4.91,1152 3.658,1153 3.605,1154 3.673,1155 3.462,1156 3.468,1157 4.387,1158 3.456,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.212,1164 3.32,1165 3.308,1166 3.366,1167 3.204,1168 3.175,1169 4.04,1170 3.171,1171 3.054,1172 3.15,1173 2.874,1174 2.875,1175 3.844,1176 2.855,1177 3.021,1178 3.108,1179 2.836,1180 2.814,1181 3.593,1182 2.813,1183 2.766,1184 2.848,1185 2.561,1186 2.575,1187 3.53,1188 2.559,1189 0.203,1190 0.149,1191 0.297,1192 0.184,1193 0.141,1194 4.664,1195 0.201,1196 3.428,1197 0.035,1198 6.826,1199 0.492,1200 4.229,1201 0.139,1202 3.245,1203 4.619,1204 0.8,1205 11.314,1206 3.193,1207 2.024,1208 2.001,1209 2.13,1210 2.115,1211 1.476,1212 2.121,1213 1.736,1214 1.672,1215 1.96,1216 1.925,1217 1.23,1218 1.937,1219 1.539,1220 1.467,1221 1.861,1222 1.747,1223 1.09,1224 1.785,1225 1.53,1226 1.459,1227 1.721,1228 1.738,1229 0.977,1230 1.744,1231 1.459,1232 1.405,1233 1.648,1234 1.614,1235 0.774,1236 1.636,1237 1.175,1238 1.099,1239 1.484,1240 1.395,1241 0.635,1242 1.432,1243 0.984,1244 0.882,1245 1.364,1246 1.247,1247 0.544,1248 1.291,1249 0.852,1250 0.777,1251 1.24,1252 1.062,1253 0.403,1254 1.131,1255 3.85,1257 5.165,1258 2.398,1259 6.696,1260 4.595,1261 8.339,1262 6.629,1263 10.044,1265 4.498,1267 14.063,1271 7.962,1275 0.612,1276 2.63,1280 26.748,1281 60.929,1282 142.335,1283 199.064,1284 210.574,1285 210.574,1286 210.574,1287 33.769,1288 6.963,1289 19.03,1290 19.03,1291 17,1292 12.425,1293 3.459,1294 2.585,1295 32.017,1296 62,1297 60,1298 0.269,1299 164.33,1300 278.59,1301 392.724,1302 8359,1303 2.2,1304 14.82,1305 0.706,1306 0.623,1307 13.949,1308 13.084,1309 10.241,1310 0.445,1311 0.359,1312 8.182,1313 9.96,1314 7.95,1315 6.638,1316 9.83,1317 8.255,1318 8.806,1319 0.275,1320 0.194,1321 8.267,1322 6.195,1323 7.654,1324 0.17,1325 0.105,1326 7.25,1327 4.724,1328 6.812,1329 0.11,1330 0.061,1331 6.386,1332 3.791,1333 5.43,1334 0.07,1335 0.036,1336 5.075,1337 2.79,1338 0.405,1339 63.339,1340 0.256,1341 20.335,1342 0.788,1343 110,1344 280.089,1345 117.966,1346 250.386,1347 345.93,1348 236,1349 132,1350 257.77,1351 140.418,1352 256.745,1353 382.06,1354 244,1355 6.532} {0 CHEMBL304767,1 1.297,2 10.185,3 5.615,4 31.523,5 113.253,6 6.555,7 0.533,8 4.072,9 4.202,10 3.542,11 3.666,12 5.037,13 3.606,14 4.648,15 4.839,16 3.876,17 4.091,18 5.499,19 3.998,20 4.947,21 5.185,22 3.957,23 4.261,24 5.721,25 4.132,26 5.054,27 5.301,28 3.933,29 4.308,30 5.823,31 4.154,32 5.136,33 5.412,34 3.873,35 4.307,36 5.837,37 4.129,38 5.129,39 5.414,40 3.844,41 4.264,42 5.862,43 4.088,44 5.041,45 5.314,46 3.774,47 4.227,48 5.812,49 4.051,50 4.959,51 5.221,52 3.651,53 4.166,54 5.738,55 3.976,56 0.056,57 0.758,58 12.666,59 5.463,60 9.513,61 7.66,62 0.146,63 1.298,64 23.208,65 9.316,66 16.018,67 13.34,68 0.202,69 1.677,70 31.671,71 12.505,72 23.594,73 18.123,74 0.277,75 1.815,76 35.466,77 14.124,78 29.821,79 20.343,80 0.235,81 1.906,82 38.611,83 15.489,84 29.683,85 22.368,86 0.304,87 1.873,88 38.701,89 15.045,90 37.355,91 21.702,92 0.313,93 1.716,94 35.328,95 14.041,96 36.887,97 20.114,98 0.195,99 1.589,100 32.123,101 13.373,102 29.636,103 19.045,104 10,105 41,106 0.214,107 0.543,108 0.757,109 0.856,110 0.873,111 0.873,112 3.34,113 1.015,114 -5.33,115 -5.22,116 -4.88,119 43.6,120 1,121 5,125 2,127 1,140 7,141 5,149 1,150 1,153 1,169 16,172 5,176 3,178 19,182 5,186 2,189 16,193 5,195 1,197 2,199 11,203 7,208 1,211 11,215 4,218 1,220 1,222 15,225 1,226 1,233 20,242 2,244 19,249 2,254 2,256 13,259 1128,260 18.947,261 18.947,262 18.947,263 18.947,264 18.947,265 16.993,266 16.007,267 11.369,268 19.093,269 14.739,270 14.739,271 14.739,272 14.739,273 14.739,274 11.735,275 16.426,276 5.231,277 14.978,278 4.484,279 2.486,280 1.19,281 0.587,282 0.486,283 0.486,284 4.043,289 1,290 602,291 3.391,294 54.768,295 203.647,298 92.979,299 97.703,302 1.525,303 14.706,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56,315 275,316 4.687,317 3.409,318 6.919,319 4.258,320 3.266,321 4.646,322 0.8,323 11.66,324 3.241,325 3.973,326 3.096,327 6.167,328 3.788,329 2.836,330 3.446,332 9.139,333 2.71,334 3.894,335 2.879,336 5.829,337 3.524,338 2.527,339 3.365,341 7.952,342 2.519,343 3.682,344 2.684,345 5.337,346 3.41,347 2.428,348 2.834,350 6.95,351 2.374,352 3.417,353 2.5,354 5.112,355 2.969,356 1.98,357 2.722,359 5.898,360 1.952,361 2.962,362 1.975,363 4.647,364 2.639,365 1.646,366 2.107,368 4.673,369 1.633,370 2.928,371 1.7,372 4.4,373 2.579,374 1.587,375 2.086,377 4.213,378 1.572,379 2.632,380 1.6,381 3.701,382 2.468,383 1.476,384 1.64,386 3.129,387 1.461,388 2.5,389 1.563,390 3.634,391 2.033,392 1.048,393 1.5,395 2.165,396 1.031,397 2.396,398 1.111,399 3.314,400 2,401 1,402 1.27,404 2.136,405 1,406 2.104,407 1,408 3.247,409 1.85,410 0.865,411 1.084,413 1.961,414 0.843,415 2.066,416 0.915,417 3.199,418 1.8,419 0.814,420 0.937,422 1.882,423 0.803,424 1.954,425 0.793,426 2.881,427 1.44,428 0.403,429 0.55,431 0.779,432 0.409,433 1.478,434 0.481,435 2.705,436 1.322,437 0.293,438 0.376,440 0.473,441 0.304,442 0.892,443 -0.17,444 2.529,445 0.63,446 -0.355,447 -0.406,449 -0.778,450 -0.349,451 13.133,452 0.486,453 0.462,454 0.017,455 32,456 1.185,457 15.5,458 0.574,459 16.5,460 0.611,461 25.908,462 0.96,463 28.867,464 0.525,465 21.228,466 0.786,467 6.002,468 0.222,469 7.294,470 0.27,471 0.063,473 0.297,479 0.739,480 1.216,481 0.91,482 1.062,483 0.518,484 1.006,485 0.96,486 1.109,487 1.009,488 1.011,489 0.625,490 1.006,491 0.827,492 1.047,493 0.985,494 0.999,495 0.464,496 0.995,497 0.82,498 1.108,499 1.064,500 1.105,501 0.684,502 1.1,503 0.728,504 1.064,505 0.957,506 1.047,507 0.645,508 1.023,509 0.937,510 0.932,511 0.931,512 0.936,513 0.938,514 0.933,515 0.968,516 0.884,517 1.006,518 0.941,519 1.061,520 0.972,521 0.79,522 1.074,523 1.102,524 1.146,525 0.896,526 1.149,527 4,528 0.077,529 2.889,530 1.347,531 1.294,532 0.868,533 0.559,534 0.33,535 0.267,536 0.217,537 8755,538 18189,539 2.142,540 50.9,541 5,542 12,543 1,544 1,545 1,547 8,550 1.705,551 2.051,552 3.317,553 -0.455,559 71.33,560 1.297,561 3.295,562 4.592,563 5.195,564 5.295,565 5.295,566 2.713,567 4.31,568 4.726,569 3.474,570 1219.31,571 8.225,572 15520.5,577 317.975,578 1.218,579 4.706,580 0.133,581 0.004,582 0.07,583 0.031,584 0.032,585 0.023,586 0.016,587 0.01,588 0.009,589 0.009,590 0.339,591 0.5,592 1,593 0.908,594 132.84,595 0.012,596 -0.054,597 0.059,598 0.013,599 0.048,600 0.034,601 -0.079,602 0.001,603 -0.028,604 0.008,605 -0.025,606 -0.004,607 -0.032,608 0.001,609 -0.01,610 -0.008,611 0.044,612 -0.006,613 0.047,614 -0.096,615 -0.09,616 -0.116,617 0.039,618 -0.114,619 0.038,620 -0.105,621 0.009,622 -0.066,623 0.039,624 -0.036,625 0.037,626 0.024,627 0.052,628 0.027,629 -0.006,630 0.038,631 0.001,632 0.077,633 -0.026,634 0.038,635 -0.062,636 0.009,637 -0.05,638 -0.116,639 -0.144,640 -0.146,641 -0.086,642 -0.151,643 1.012,644 4.514,645 0.704,646 23.695,647 0.982,648 1.12,649 4.102,650 16.83,651 0.661,652 3.434,653 3.738,654 4.06,655 4.357,656 4.605,657 4.71,658 4.875,659 5.03,660 5.112,661 5.13,662 6.14,663 0.611,664 360.54,665 3.434,666 4.963,667 5.826,668 6.708,669 7.593,670 8.487,671 9.382,672 10.282,673 11.183,674 12.087,675 3.6,678 1,683 1,687 2,688 8,690 1,693 4,695 16,696 1,714 55,716 17,717 2,718 30,720 58,721 24,722 14,723 5,724 7,725 1,730 4,731 7,736 1,740 4,743 6,745 15,746 9,750 1,755 1,757 1,764 28,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 1,827 27,833 7,837 1,838 1,847 1.8,850 1,854 13.167,855 9.95,856 6.139,857 3.732,858 3.007,859 1.392,860 1.001,861 5.518,862 10.682,863 3.689,864 4.259,865 4.888,866 5.497,867 6.015,868 6.302,869 6.664,870 7.055,871 7.183,872 7.348,873 0.857,874 43,875 10.024,877 4.225,878 7.475,879 20.018,881 17.047,883 1.975,884 53.333,888 317.82,889 129.974,890 19.91,892 25.145,895 129.974,896 342.965,897 19.91,898 8.825,899 16.884,900 75.381,901 48.34,902 35.225,903 13.915,904 294.278,906 317.82,907 149.884,908 25.145,911 223.651,912 119.314,915 45.619,916 92.841,917 11.424,919 317.82,920 45.055,921 129.974,924 317.82,925 34.343,926 98.755,927 16.786,928 25.145,929 317.82,930 45.055,931 129.974,933 0.565,934 0.344,935 0.198,936 0.11,937 20,938 8,939 0.121,940 7,941 2,942 1.211,943 3.895,944 235.67,945 0.211,946 19,947 124.382,951 18.157,952 8.205,953 3.759,954 2.231,955 28.269,956 16.993,958 3.26,961 5.008,963 16.786,964 492.848,965 39,970 11.514,972 0.988,975 54.018,976 61.604,977 0.224,978 0.57,979 0.794,980 0.899,981 0.916,982 0.916,983 4.913,984 1.476,985 5.79,986 4.213,987 4.419,988 4.945,989 0.673,990 6.613,991 4.388,992 6.091,993 1.048,994 7.348,995 3.129,996 3.892,997 4.677,998 0.325,999 7.557,1000 3.832,1001 7.386,1002 1,1003 9.012,1004 2.165,1005 6.009,1006 7.157,1007 0.379,1008 10.694,1009 5.944,1010 8.724,1011 0.865,1012 10.741,1013 2.136,1014 6.382,1015 7.84,1016 0.268,1017 12.529,1018 6.292,1019 10.103,1020 0.814,1021 12.515,1022 1.961,1023 7.907,1024 9.741,1025 0.239,1026 15.18,1027 7.812,1028 11.51,1029 0.403,1030 14.319,1031 1.882,1032 8.701,1033 10.877,1034 0.188,1035 17.376,1036 8.588,1037 12.942,1038 0.293,1039 16.145,1040 0.779,1041 9.992,1042 12.552,1043 0.156,1044 19.88,1045 9.873,1046 3.266,1047 -0.355,1048 17.989,1049 0.473,1050 10.985,1051 13.906,1052 0.125,1053 22.225,1054 10.855,1055 2.836,1056 11.66,1057 19.846,1058 -0.778,1059 12.187,1060 15.491,1061 0.102,1062 24.686,1063 12.052,1064 2.527,1065 9.139,1066 21.715,1067 4.646,1068 13.273,1069 16.946,1070 0.082,1071 27.093,1072 13.13,1073 2.428,1074 7.952,1075 23.592,1076 3.446,1077 14.446,1078 18.498,1079 0.066,1080 29.543,1081 14.298,1082 1.98,1083 6.95,1084 25.478,1085 3.365,1086 15.575,1087 19.997,1088 0.054,1089 31.976,1090 15.423,1091 1.646,1092 5.898,1093 27.37,1094 2.834,1095 16.741,1096 21.538,1097 0.043,1098 34.426,1099 16.585,1100 1.587,1101 4.673,1102 29.268,1103 2.722,1104 17.893,1105 23.057,1106 0.035,1107 36.87,1108 17.732,1109 8311,1110 12100,1111 20.572,1112 36.364,1113 44.945,1114 46.145,1115 45.707,1116 44.442,1117 44.341,1118 57.126,1119 1.6,1120 126.02,1121 43.708,1122 5.633,1123 5.409,1124 6.721,1125 5.283,1126 5.266,1127 7.646,1128 1.2,1129 18.941,1130 5.241,1131 9.637,1132 1.498,1133 1.538,1134 1.524,1135 1.481,1136 1.478,1137 1.904,1138 0.053,1139 4.201,1140 1.457,1141 4.166,1142 4.196,1143 4.126,1144 4.094,1145 7.452,1146 4.098,1147 3.929,1148 3.968,1149 3.848,1150 3.863,1151 4.935,1152 3.855,1153 3.784,1154 3.841,1155 3.682,1156 3.644,1157 4.752,1158 3.646,1159 3.596,1160 3.662,1161 3.459,1162 3.455,1163 4.372,1164 3.445,1165 3.398,1166 3.469,1167 3.239,1168 3.258,1169 4.207,1170 3.243,1171 3.307,1172 3.354,1173 3.16,1174 3.178,1175 3.977,1176 3.163,1177 3.097,1178 3.153,1179 2.975,1180 2.898,1181 3.864,1182 2.89,1183 3.034,1184 3.117,1185 2.845,1186 2.832,1187 3.674,1188 2.84,1189 0.156,1190 0.114,1191 0.231,1192 0.142,1193 0.109,1194 4.687,1195 0.155,1196 3.409,1197 0.027,1198 6.919,1199 0.389,1200 4.258,1201 0.108,1202 3.266,1203 4.646,1204 0.8,1205 11.66,1206 3.241,1207 2.032,1208 2.009,1209 2.141,1210 2.117,1211 1.479,1212 2.127,1213 1.92,1214 1.89,1215 2.054,1216 2.007,1217 1.257,1218 2.025,1219 1.703,1220 1.641,1221 1.928,1222 1.88,1223 1.144,1224 1.897,1225 1.556,1226 1.515,1227 1.77,1228 1.766,1229 1.006,1230 1.762,1231 1.526,1232 1.464,1233 1.682,1234 1.687,1235 0.873,1236 1.703,1237 1.38,1238 1.309,1239 1.655,1240 1.569,1241 0.771,1242 1.603,1243 1.149,1244 1.078,1245 1.447,1246 1.348,1247 0.667,1248 1.385,1249 0.961,1250 0.896,1251 1.322,1252 1.241,1253 0.492,1254 1.247,1255 4.111,1257 5.416,1258 2.398,1259 6.934,1260 4.727,1261 8.554,1262 6.843,1263 10.229,1265 2.265,1271 7.849,1275 0.557,1276 2.669,1280 33.606,1281 71.33,1282 181.226,1283 252.549,1284 285.71,1285 291.22,1286 291.22,1287 38.858,1288 7.675,1289 36.1,1290 36.1,1291 23,1292 12.607,1293 4.17,1294 3.322,1295 40.063,1296 98,1297 105,1298 0.198,1299 205.579,1300 351.29,1301 493.372,1302 22510,1304 18.64,1305 0.69,1306 0.596,1307 18.64,1308 16.079,1309 13.296,1310 0.443,1311 0.338,1312 10.084,1313 13.046,1314 9.822,1315 8.154,1316 13.296,1317 10.148,1318 11.288,1319 0.275,1320 0.187,1321 11.288,1322 7.656,1323 10.009,1324 0.176,1325 0.104,1326 10.009,1327 5.953,1328 8.611,1329 0.112,1330 0.06,1331 8.611,1332 4.582,1333 7.129,1334 0.072,1335 0.034,1336 7.129,1337 3.405,1338 0.306,1339 81.514,1340 0.22,1341 25.721,1342 0.555,1343 142,1344 309.714,1345 147.575,1346 308.487,1347 432.03,1348 292,1349 169,1350 319.164,1351 175.158,1352 329.177,1353 482.32,1354 312,1355 8.553} {0 CHEMBL304833,1 1.517,2 14.941,3 4.481,4 20.078,5 132.663,6 7.26,7 0.553,8 4.259,9 4.396,10 3.812,11 3.771,12 5.309,13 3.751,14 4.836,15 5.035,16 4.167,17 4.196,18 5.83,19 4.153,20 5.112,21 5.344,22 4.181,23 4.363,24 6.072,25 4.267,26 5.229,27 5.488,28 4.16,29 4.389,30 6.142,31 4.265,32 5.274,33 5.557,34 4.106,35 4.321,36 6.234,37 4.195,38 5.149,39 5.43,40 4.033,41 4.23,42 6.056,43 4.112,44 5.062,45 5.335,46 3.99,47 4.159,48 5.996,49 4.047,50 4.997,51 5.271,52 3.811,53 4.063,54 5.941,55 3.935,56 0.044,57 1.134,58 13.682,59 5.754,60 11.883,61 7.853,62 0.287,63 1.851,64 27.014,65 9.522,66 27.259,67 13.313,68 0.47,69 2.266,70 37.611,71 13.697,72 53.664,73 18.825,74 0.348,75 2.394,76 43.295,77 15.811,78 59.29,79 22.174,80 0.774,81 2.457,82 48.185,83 15.678,84 99.228,85 21.848,86 0.572,87 2.134,88 41.718,89 13.535,90 66.138,91 19.409,92 0.521,93 1.995,94 37.828,95 12.396,96 62.322,97 17.687,98 0.563,99 1.846,100 35.826,101 11.347,102 72.066,103 16.049,104 10,105 53,106 0.241,107 0.563,108 0.736,109 0.827,110 0.842,111 0.862,112 3.56,113 0.935,114 -5.81,115 -5.68,116 -5.29,119 40.6,120 1,121 1,122 1,125 6,127 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 3,176 3,178 10,181 1,182 5,186 3,189 9,193 7,199 5,203 9,206 1,211 2,215 7,218 1,226 5,229 2,236 1,237 4,244 1,249 2,252 1,256 3,259 2130,260 23.239,261 23.239,262 23.239,263 23.239,264 23.239,265 20.772,266 23.971,267 13.732,268 23.797,269 18.781,270 18.781,271 18.781,272 18.781,273 18.781,274 15.152,275 23.881,276 6.549,277 19.731,278 4.483,279 2.455,280 1.366,281 0.793,282 0.699,283 0.574,284 4.267,289 1,290 1127,291 3.674,294 184.937,295 353.631,298 158.006,302 2.363,303 32.626,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 74,315 508,316 4.571,317 3.313,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.258,326 3.242,327 6.395,328 3.948,329 2.972,330 3.833,331 0.8,332 9.673,333 2.9,334 4.131,335 3.05,336 6.098,337 3.703,338 2.768,339 3.732,341 8.896,342 2.589,343 3.709,344 2.905,345 5.576,346 3.597,347 2.672,348 2.848,350 7.63,351 2.465,352 3.509,353 2.774,354 5.347,355 3.317,356 2.388,357 2.699,359 6.923,360 2.213,361 3.344,362 2.494,363 5.152,364 3.054,365 2.104,366 2.602,368 6.21,369 1.996,370 3.248,371 2.249,372 4.785,373 2.833,374 1.871,375 2.433,377 5.062,378 1.79,379 3.084,380 2.036,381 4.632,382 2.736,383 1.787,384 2.192,386 4.762,387 1.692,388 2.874,389 1.787,390 4.506,391 2.628,392 1.687,393 2.011,395 4.643,396 1.572,397 2.851,398 1.58,399 4.072,400 2.381,401 1.414,402 1.921,404 3.307,405 1.352,406 2.686,407 1.286,408 3.783,409 2.204,410 1.236,411 1.754,413 3.058,414 1.193,415 2.385,416 1.146,417 3.566,418 2.026,419 1.033,420 1.335,422 2.561,423 1.025,424 2.34,425 1.063,426 3.414,427 1.967,428 1,429 1.303,431 2.275,432 0.965,433 2.118,434 0.975,435 3.34,436 1.882,437 0.921,438 1,440 2.144,441 0.882,442 2.075,443 0.703,444 3.207,445 1.582,446 0.628,447 0.927,449 1.542,450 0.597,451 15.971,452 0.47,453 0.78,454 0.023,455 40.75,456 1.199,457 18,458 0.529,459 22.75,460 0.669,461 32.576,462 0.958,463 37.429,464 0.585,465 30.681,466 0.902,467 8.074,468 0.237,469 8.49,470 0.25,471 0.067,473 0.326,474 1,477 1,479 0.618,480 1.228,481 0.768,482 1.156,483 0.509,484 1.024,485 0.916,486 0.995,487 0.94,488 0.945,489 0.68,490 0.934,491 0.988,492 1.008,493 1.082,494 1.084,495 0.964,496 1.1,497 0.835,498 1.093,499 0.969,500 1.149,501 0.825,502 1.104,503 1.204,504 1.02,505 1.029,506 0.968,507 1.369,508 0.973,509 1.002,510 0.963,511 0.955,512 0.943,513 1.024,514 0.942,515 0.98,516 1.001,517 0.967,518 0.996,519 1.025,520 0.985,521 1.208,522 1.012,523 1.163,524 1.034,525 1.269,526 1.078,527 6.5,528 0.161,529 3.778,530 2.132,531 1.583,532 1.129,533 0.629,534 0.379,535 0.314,536 0.213,537 20306,538 52100,539 2.145,540 46.9,541 3,542 20,543 1,544 2,545 1,547 3,550 1.754,551 2.04,552 3.837,553 -0.363,559 97.072,560 1.517,561 3.545,562 4.634,563 5.207,564 5.301,565 5.426,566 3.268,567 4.712,568 5.061,569 4.055,570 2274.92,571 8.836,572 37049.4,577 384,578 1.286,579 5.033,580 0.171,581 0.006,582 0.071,583 0.042,584 0.033,585 0.026,586 0.015,587 0.009,588 0.01,589 0.007,590 0.39,591 0.33,592 0.63,593 0.459,594 186.641,595 0.019,596 -0.158,597 0.068,598 -0.075,600 -0.013,601 -0.083,602 0.036,603 -0.027,604 0.055,605 -0.01,606 0.035,607 -0.059,608 0.02,609 -0.134,610 -0.059,611 -0.039,612 -0.101,613 -0.013,614 -0.167,615 -0.013,616 -0.13,617 0.021,618 -0.084,619 -0.015,620 0.014,621 0.006,622 0.019,623 -0.069,624 0.014,625 -0.009,626 -0.017,627 0.048,628 0.03,629 -0.029,630 0.046,631 0.016,632 -0.041,633 0.03,634 -0.022,635 -0.031,636 -0.001,637 -0.087,639 -0.147,640 -0.068,641 -0.112,642 -0.109,643 2.276,644 7.09,645 0.765,646 41.723,647 1.002,648 1.142,649 4.585,650 21.018,651 0.653,652 3.664,653 3.989,654 4.263,655 4.522,656 4.673,657 4.745,658 4.898,659 5.004,660 5.063,661 5.118,662 8.832,663 0.621,664 464.62,665 3.664,666 5.209,667 6.061,668 6.936,669 7.8,670 8.678,671 9.547,672 10.426,673 11.299,674 12.179,675 9.4,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 64,716 21,717 2,718 38,720 68,721 26,722 16,723 5,724 7,728 1,730 5,731 6,736 1,743 2,745 16,746 10,747 1,762 2,764 30,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 2,827 34,833 7,837 2,838 2,844 1,846 2,854 16.667,855 11.536,856 7.389,857 3.943,858 3.583,859 1.433,860 1.011,861 6.935,862 11.864,863 3.902,864 4.489,865 5.074,866 5.651,867 6.076,868 6.407,869 6.842,870 7.245,871 7.447,872 7.681,873 0.9,874 51,875 12.683,877 5.494,878 7.725,879 24.489,881 20.683,883 2.225,884 75.667,888 341.362,889 141.758,890 58.259,893 29.92,895 141.758,896 341.362,897 88.179,898 8.825,899 17.348,900 75.381,901 74.105,902 45.755,903 43.835,904 306.049,906 341.362,907 200.017,908 29.92,911 335.969,912 35.313,915 68.344,916 98.347,917 33.326,919 371.282,920 58.259,921 141.758,924 343.541,925 38.135,926 109.591,927 16.786,928 63.246,929 341.362,930 88.179,931 141.758,933 0.582,934 0.341,935 0.186,936 0.092,937 26,938 11,939 0.118,940 8,941 1,942 1.077,943 4.677,944 312.349,945 0.077,946 26,947 164.974,951 23.01,952 10.248,953 5.343,954 2.025,955 69.495,956 18.265,957 7.724,958 3.257,961 2.559,962 1.843,963 16.786,964 571.299,965 48.5,975 64.123,976 73.067,977 0.253,978 0.591,979 0.772,980 0.868,981 0.883,982 0.904,983 5.143,984 1.787,985 6.038,986 5.062,987 4.673,988 5.176,989 1.072,990 6.832,991 4.579,992 6.328,993 1.687,994 7.584,995 4.762,996 4.205,997 4.89,998 0.57,999 7.678,1000 4.049,1001 7.619,1002 1.414,1003 9.228,1004 4.643,1005 6.252,1006 7.348,1007 0.653,1008 10.772,1009 6.079,1010 8.946,1011 1.236,1012 10.931,1013 3.307,1014 6.621,1015 7.981,1016 0.479,1017 12.462,1018 6.401,1019 10.31,1020 1.033,1021 12.672,1022 3.058,1023 8.107,1024 9.866,1025 0.432,1026 15.049,1027 7.87,1028 11.699,1029 1,1030 14.44,1031 2.561,1032 8.862,1033 10.941,1034 0.346,1035 17.09,1036 8.593,1037 13.108,1038 0.921,1039 16.227,1040 2.275,1041 10.12,1042 12.591,1043 0.291,1044 19.501,1045 9.835,1046 3.126,1047 0.628,1048 18.029,1049 2.144,1050 11.058,1051 13.88,1052 0.237,1053 21.694,1054 10.751,1055 2.972,1056 10.462,1057 19.842,1058 1.542,1059 12.222,1060 15.432,1061 0.195,1062 24.041,1063 11.899,1064 2.768,1065 9.673,1066 21.664,1067 4.519,1068 13.249,1069 16.825,1070 0.158,1071 26.303,1072 12.908,1073 2.672,1074 8.896,1075 23.494,1076 3.833,1077 14.375,1078 18.338,1079 0.129,1080 28.63,1081 14.02,1082 2.388,1083 7.63,1084 25.329,1085 3.732,1086 15.444,1087 19.782,1088 0.104,1089 30.923,1090 15.074,1091 2.104,1092 6.923,1093 27.17,1094 2.848,1095 16.558,1096 21.281,1097 0.084,1098 33.246,1099 16.174,1100 1.871,1101 6.21,1102 29.014,1103 2.699,1104 17.648,1105 22.752,1106 0.068,1107 35.555,1108 17.251,1109 18681,1110 30090,1111 25.948,1112 41.807,1113 57.523,1114 57.248,1115 57.942,1116 56.954,1117 56.831,1118 72.4,1119 3.2,1120 161.993,1121 54.071,1122 5.571,1123 5.313,1124 6.257,1125 5.174,1126 5.126,1127 7.519,1128 1.2,1129 17.208,1130 5.068,1131 13.694,1132 1.514,1133 1.507,1134 1.525,1135 1.499,1136 1.496,1137 1.905,1138 0.084,1139 4.263,1140 1.423,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.201,1146 4.07,1147 3.966,1148 4.009,1149 3.9,1150 3.883,1151 8.19,1152 3.881,1153 3.845,1154 3.913,1155 3.792,1156 3.653,1157 5.135,1158 3.665,1159 3.814,1160 3.883,1161 3.724,1162 3.579,1163 4.925,1164 3.616,1165 3.572,1166 3.637,1167 3.46,1168 3.4,1169 4.655,1170 3.404,1171 3.431,1172 3.5,1173 3.282,1174 3.29,1175 4.37,1176 3.28,1177 3.273,1178 3.342,1179 3.167,1180 3.098,1181 4.252,1182 3.105,1183 3.111,1184 3.206,1185 2.875,1186 2.941,1187 4.056,1188 2.91,1189 0.12,1190 0.087,1191 0.173,1192 0.108,1193 0.082,1194 4.571,1195 0.119,1196 3.313,1197 0.021,1198 6.572,1199 0.275,1200 4.106,1201 0.081,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.07,1210 2.069,1211 1.374,1212 2.072,1213 1.934,1214 1.904,1215 2.038,1216 2.048,1217 1.27,1218 2.046,1219 1.793,1220 1.727,1221 1.976,1222 1.979,1223 1.199,1224 1.983,1225 1.645,1226 1.59,1227 1.831,1228 1.828,1229 1.066,1230 1.832,1231 1.485,1232 1.419,1233 1.742,1234 1.686,1235 0.894,1236 1.698,1237 1.398,1238 1.328,1239 1.561,1240 1.639,1241 0.825,1242 1.629,1243 1.281,1244 1.214,1245 1.513,1246 1.5,1247 0.711,1248 1.504,1249 1.153,1250 1.064,1251 1.476,1252 1.442,1253 0.58,1254 1.429,1255 4.344,1257 5.666,1258 3.045,1259 7.171,1260 5.283,1261 8.758,1262 7.286,1263 10.389,1265 2.068,1267 29.158,1271 5.024,1275 -0.812,1276 4.555,1280 39.743,1281 97.072,1282 226.909,1283 296.574,1284 333.245,1285 339.245,1286 347.245,1287 64.218,1288 8.281,1289 52.98,1290 52.98,1291 28,1292 12.717,1293 4.459,1294 3.524,1295 50.422,1296 184,1297 158,1298 0.131,1299 240.02,1300 407.34,1301 577.409,1302 56617,1303 3.1,1304 23.493,1305 0.691,1306 0.57,1307 21.753,1308 19.37,1309 16.564,1310 0.436,1311 0.312,1312 11.657,1313 15.824,1314 11.42,1315 9.39,1316 15.759,1317 11.848,1318 14.981,1319 0.283,1320 0.174,1321 13.808,1322 9.238,1323 12.69,1324 0.181,1325 0.097,1326 11.982,1327 6.799,1328 10.806,1329 0.119,1330 0.054,1331 9.941,1332 4.928,1333 8.025,1334 0.076,1335 0.031,1336 7.584,1337 3.336,1338 0.215,1339 104.368,1340 0.196,1341 32.239,1342 0.336,1343 182,1344 568.781,1345 200.846,1346 502.303,1347 678.22,1348 472,1349 214,1350 490.809,1351 233.849,1352 488.122,1353 711.12,1354 459,1355 9} {0 CHEMBL304857,1 1.348,2 14.906,3 3.815,4 14.556,5 132.952,6 6.697,7 0.583,8 4.244,9 4.388,10 3.743,11 3.774,12 5.214,13 3.733,14 4.816,15 5.024,16 4.068,17 4.2,18 5.669,19 4.127,20 5.082,21 5.323,22 4.048,23 4.367,24 5.825,25 4.233,26 5.22,27 5.497,28 3.976,29 4.395,30 5.907,31 4.223,32 5.226,33 5.525,34 3.907,35 4.336,36 5.874,37 4.149,38 5.133,39 5.434,40 3.88,41 4.25,42 5.801,43 4.085,44 5.005,45 5.271,46 3.832,47 4.19,48 5.741,49 4.029,50 5.02,51 5.324,52 3.638,53 4.096,54 5.68,55 3.909,56 0.094,57 0.999,58 14.958,59 5.694,60 13.272,61 8.383,62 0.279,63 1.631,64 27.69,65 9.408,66 21.116,67 14.269,68 0.252,69 1.947,70 36.243,71 13.43,72 25.048,73 20.085,74 0.319,75 2.089,76 42.242,77 15.625,78 31.552,79 23.442,80 0.306,81 2.021,82 42.838,83 15.809,84 32.47,85 23.84,86 0.346,87 1.868,88 39.331,89 13.566,90 30.492,91 20.803,92 0.269,93 1.722,94 33.934,95 12.445,96 27.885,97 18.697,98 0.331,99 1.645,100 35.263,101 11.891,102 29.176,103 18.348,104 2,105 49,106 0.214,107 0.541,108 0.746,109 0.817,110 0.837,111 0.837,112 3.502,113 0.973,114 -5.35,115 -5.23,116 -4.89,119 40.6,121 4,124 1,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 8,176 3,178 12,182 5,186 3,189 8,192 1,193 8,197 1,199 7,203 7,206 1,211 8,215 6,218 1,222 7,226 6,229 2,233 4,236 1,237 6,242 2,244 3,249 2,256 5,259 1802,260 22.292,261 22.292,262 22.292,263 22.292,264 22.292,265 19.853,266 28.287,267 13.391,268 22.733,269 17.813,270 17.813,271 17.813,272 17.813,273 17.813,274 14.241,275 38.17,276 6.399,277 18.529,278 4.652,279 2.594,280 1.301,281 0.86,282 0.731,283 0.731,284 4.214,289 1,290 1067,291 3.317,294 172.368,295 329.841,298 146.982,302 2.299,303 11.392,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 477,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.137,327 6.095,328 3.805,329 2.857,330 3.731,331 0.8,332 8.884,333 2.713,334 3.973,335 2.886,336 6.06,337 3.689,338 2.752,339 3.459,340 0.172,341 8.728,342 2.577,343 3.735,344 2.806,345 5.375,346 3.488,347 2.518,348 2.817,350 7.072,351 2.454,352 3.446,353 2.528,354 5.26,355 3.257,356 2.313,357 2.792,359 6.667,360 2.168,361 3.36,362 2.184,363 5.126,364 3.009,365 2.031,366 2.593,368 6,369 1.98,370 3.246,371 1.795,372 4.514,373 2.731,374 1.777,375 2.392,377 4.655,378 1.691,379 2.903,380 1.67,381 4.139,382 2.537,383 1.552,384 2.051,386 3.676,387 1.527,388 2.743,389 1.408,390 4.099,391 2.332,392 1.345,393 1.849,395 3.464,396 1.325,397 2.5,398 1.318,399 3.547,400 2.191,401 1.225,402 1.5,404 2.851,405 1.181,406 2.449,407 1.126,408 3.445,409 2.024,410 1.065,411 1.437,413 2.448,414 1.019,415 2.357,416 1.077,417 3.414,418 2,419 1,420 1.324,422 2.275,423 1,424 2.196,425 1,426 3.312,427 1.984,428 1,429 1.134,431 2.136,432 0.983,433 2.118,434 0.921,435 3.247,436 1.85,437 0.885,438 1,440 2.083,441 0.852,442 2,443 0.655,444 3.17,445 1.55,446 0.618,447 0.927,449 1.439,450 0.565,451 15.4,452 0.481,453 0.585,454 0.018,455 39.25,456 1.227,457 18,458 0.563,459 21.25,460 0.664,461 29.501,462 0.922,463 34.4,464 0.538,465 26.621,466 0.832,467 7.594,468 0.237,469 8.165,470 0.255,471 0.032,473 0.273,479 0.902,480 1.437,481 0.88,482 1.159,483 0.694,484 1.041,485 1.341,486 1.035,487 1.034,488 0.942,489 0.831,490 0.955,491 1.008,492 1.103,493 1.094,494 1.125,495 0.766,496 1.119,497 0.825,498 1.01,499 1.031,500 1.082,501 0.735,502 1.078,503 0.648,504 0.976,505 0.889,506 1.006,507 0.733,508 0.978,509 0.937,510 0.841,511 0.887,512 0.848,513 0.778,514 0.86,515 0.781,516 1.137,517 1.044,518 1.171,519 0.9,520 1.14,521 1.066,522 0.882,523 1.027,524 0.941,525 1.133,526 0.973,527 5,528 0.108,529 3.333,530 1.319,531 1.197,532 0.91,533 0.445,534 0.273,535 0.183,536 0.168,537 18028,538 37826,539 2.194,540 50,541 2,542 20,543 1,544 2,545 1,547 2,548 4,550 1.737,551 2.133,552 3.841,553 -0.403,559 86.279,560 1.348,561 3.406,562 4.699,563 5.14,564 5.269,565 5.269,566 3.269,567 4.313,568 4.972,569 4.042,570 2005.02,571 8.653,572 31609,574 1,577 384,578 1.043,579 4.964,580 0.139,581 0.004,582 0.068,583 0.029,584 0.029,585 0.024,586 0.012,587 0.008,588 0.007,589 0.007,590 0.326,591 0.33,592 0.88,593 0.313,594 173.178,595 0.15,596 -0.2,597 0.091,598 -0.076,599 0.244,600 -0.012,601 -0.08,602 0.122,603 -0.035,604 0.059,605 0.049,606 0.024,607 -0.116,608 -0.07,609 -0.126,610 -0.1,611 -0.011,612 -0.112,613 -0.008,614 -0.058,615 -0.062,616 -0.077,617 0.039,618 -0.075,619 0.106,620 -0.079,621 0.079,622 -0.01,623 0.1,624 0.024,625 0.013,626 0.085,627 0.1,628 0.119,629 0.073,630 0.118,631 0.087,632 -0.162,633 -0.073,634 -0.166,635 -0.008,636 -0.141,637 -0.06,638 0.045,639 -0.035,640 0.013,641 -0.151,642 -0.005,643 0.642,644 0.928,645 0.813,646 38.664,647 0.986,648 1.131,649 4.115,650 16.936,651 0.655,652 3.611,653 3.912,654 4.19,655 4.431,656 4.595,657 4.673,658 4.796,659 4.905,660 4.956,661 5.011,662 8.726,663 0.609,664 428.64,665 3.611,666 5.142,667 5.989,668 6.851,669 7.711,670 8.579,671 9.444,672 10.315,673 11.185,674 12.058,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,740 3,743 5,745 16,746 10,764 32,765 4,766 1,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,827 32,833 8,837 1,838 2,844 1,854 15,855 11.5,856 7.028,857 4.016,858 3.531,859 1.432,860 1.01,861 6.562,862 11.699,863 3.861,864 4.431,865 5.016,866 5.592,867 6.022,868 6.347,869 6.789,870 7.209,871 7.396,872 7.613,873 0.9,874 46,875 11.826,877 4.948,878 7.38,879 23.665,881 19.936,883 1.88,884 60.167,888 364.904,889 142.897,890 58.259,895 142.897,896 364.904,897 58.259,898 8.396,899 18.561,900 84.857,901 74.105,902 36.634,903 13.915,904 329.591,906 364.904,907 201.156,911 294.278,912 70.627,915 60.731,916 107.099,917 33.326,919 364.904,920 58.259,921 142.897,924 364.904,925 32.406,926 118.639,927 16.786,928 33.326,929 364.904,930 58.259,931 142.897,933 0.574,934 0.336,935 0.181,936 0.091,937 24,938 9,939 0.118,940 8,941 1,942 1.077,943 4.63,944 283.418,945 0.077,946 26,947 148,951 21.234,952 9.888,953 5.081,954 2.497,955 39.575,956 22.957,957 7.847,958 3.428,961 3.904,962 1.954,963 16.786,964 566.06,965 46.5,975 63.098,976 72.387,977 0.225,978 0.568,979 0.783,980 0.857,981 0.878,982 0.878,983 5.083,984 1.552,985 5.943,986 4.655,987 4.595,988 5.118,989 1.242,990 6.713,991 4.52,992 6.252,993 1.345,994 7.47,995 3.676,996 4.007,997 4.732,998 0.57,999 7.516,1000 3.878,1001 7.531,1002 1.225,1003 9.098,1004 3.464,1005 6.146,1006 7.275,1007 0.883,1008 10.608,1009 5.997,1010 8.848,1011 1.065,1012 10.788,1013 2.851,1014 6.447,1015 7.85,1016 0.581,1017 12.284,1018 6.244,1019 10.202,1020 1,1021 12.518,1022 2.448,1023 7.977,1024 9.778,1025 0.68,1026 14.853,1027 7.759,1028 11.583,1029 1,1030 14.276,1031 2.275,1032 8.689,1033 10.821,1034 0.515,1035 16.885,1036 8.428,1037 12.986,1038 0.885,1039 16.055,1040 2.136,1041 9.966,1042 12.495,1043 0.541,1044 19.282,1045 9.69,1046 3.118,1047 0.618,1048 17.848,1049 2.083,1050 10.878,1051 13.772,1052 0.441,1053 21.47,1054 10.569,1055 2.857,1056 10.431,1057 19.653,1058 1.439,1059 12.049,1060 15.339,1061 0.438,1062 23.809,1063 11.723,1064 2.752,1065 8.884,1066 21.466,1067 4.518,1068 13.059,1069 16.732,1070 0.373,1071 26.069,1072 12.709,1073 2.518,1074 8.728,1075 23.287,1076 3.731,1077 14.186,1078 18.255,1079 0.358,1080 28.392,1081 13.821,1082 2.313,1083 7.072,1084 25.115,1085 3.459,1086 15.245,1087 19.705,1088 0.314,1089 30.687,1090 14.861,1091 2.031,1092 6.667,1093 26.947,1094 2.817,1095 16.358,1096 21.212,1097 0.296,1098 33.009,1099 15.959,1100 1.777,1101 6,1102 28.784,1103 2.792,1104 17.443,1105 22.689,1106 0.264,1107 35.321,1108 17.028,1109 16438,1110 24037,1111 25.137,1112 41.932,1113 54.025,1114 53.09,1115 53.665,1116 53.323,1117 53.32,1118 68.674,1119 3.778,1120 148.428,1121 51.334,1122 5.568,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.096,1130 5.062,1131 7.58,1132 1.501,1133 1.475,1134 1.491,1135 1.481,1136 1.481,1137 1.908,1138 0.105,1139 4.123,1140 1.426,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.952,1148 4.003,1149 3.865,1150 3.864,1151 4.927,1152 3.859,1153 3.847,1154 3.91,1155 3.79,1156 3.708,1157 4.756,1158 3.706,1159 3.82,1160 3.884,1161 3.729,1162 3.586,1163 4.382,1164 3.623,1165 3.562,1166 3.635,1167 3.421,1168 3.398,1169 4.258,1170 3.397,1171 3.385,1172 3.466,1173 3.255,1174 3.195,1175 4.116,1176 3.2,1177 3.255,1178 3.329,1179 3.114,1180 3.084,1181 3.891,1182 3.081,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.692,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.025,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.085,1210 2.072,1211 1.44,1212 2.08,1213 1.926,1214 1.89,1215 2.043,1216 2.048,1217 1.282,1218 2.046,1219 1.834,1220 1.776,1221 2.01,1222 1.974,1223 1.157,1224 1.99,1225 1.666,1226 1.61,1227 1.876,1228 1.834,1229 1.111,1230 1.852,1231 1.43,1232 1.353,1233 1.674,1234 1.686,1235 0.826,1236 1.679,1237 1.383,1238 1.311,1239 1.573,1240 1.626,1241 0.825,1242 1.62,1243 1.271,1244 1.196,1245 1.513,1246 1.48,1247 0.714,1248 1.498,1249 1.153,1250 1.064,1251 1.48,1252 1.442,1253 0.58,1254 1.429,1255 4.29,1257 5.595,1258 3.045,1259 7.086,1260 5.283,1261 8.66,1262 7.286,1263 10.278,1265 2.276,1271 9.437,1275 0.691,1276 5.177,1280 38.977,1281 86.279,1282 217.998,1283 300.716,1284 328.98,1285 337.245,1286 337.245,1287 38.743,1288 8.168,1289 52.98,1290 52.98,1291 28,1292 12.6,1293 4.459,1294 3.524,1295 46.164,1296 172,1297 156,1298 0.129,1299 237.624,1300 395.2,1301 571.561,1302 49662,1304 21.753,1305 0.68,1306 0.588,1307 21.753,1308 18.821,1309 15.759,1310 0.438,1311 0.324,1312 11.537,1313 15.241,1314 11.258,1315 9.339,1316 15.759,1317 11.676,1318 13.808,1319 0.282,1320 0.183,1321 13.808,1322 8.99,1323 11.982,1324 0.184,1325 0.105,1326 11.982,1327 6.844,1328 9.951,1329 0.12,1330 0.06,1331 9.951,1332 4.945,1333 7.517,1334 0.077,1335 0.034,1336 7.517,1337 3.372,1338 0.212,1339 97.856,1340 0.199,1341 30.862,1342 0.327,1343 170,1344 382.558,1345 181.185,1346 382.086,1347 540.45,1348 362,1349 199,1350 413.476,1351 212.128,1352 424.221,1353 612.58,1354 398,1355 8.737} {0 CHEMBL304993,1 1.464,2 14.813,3 3.956,4 15.65,5 127.975,6 7.092,7 0.583,8 4.21,9 4.349,10 3.751,11 3.731,12 5.224,13 3.705,14 4.782,15 4.982,16 4.084,17 4.151,18 5.727,19 4.098,20 5.046,21 5.285,22 4.048,23 4.303,24 5.922,25 4.187,26 5.13,27 5.394,28 3.999,29 4.304,30 5.932,31 4.156,32 5.162,33 5.46,34 3.987,35 4.201,36 6.035,37 4.069,38 4.987,39 5.257,40 3.933,41 4.115,42 5.909,43 4.01,44 4.93,45 5.186,46 3.897,47 4.106,48 5.808,49 3.983,50 4.959,51 5.245,52 3.729,53 4.026,54 5.808,55 3.883,56 0.055,57 1.027,58 13.424,59 5.389,60 11.179,61 7.582,62 0.276,63 1.683,64 25.923,65 8.88,66 22.494,67 12.774,68 0.432,69 2.012,70 35.384,71 12.752,72 40.919,73 18.104,74 0.219,75 2.046,76 38.69,77 14.593,78 34.618,79 21.129,80 0.529,81 2.131,82 42.662,83 13.939,84 62.553,85 20.13,86 0.501,87 1.883,88 35.05,89 11.283,90 52.837,91 16.1,92 0.337,93 1.734,94 31.775,95 11.181,96 36.504,97 16.342,98 0.385,99 1.705,100 34.089,101 11.023,102 48.001,103 16.136,104 2,105 49,106 0.235,107 0.538,108 0.694,109 0.802,110 0.819,111 0.84,112 3.502,113 0.943,114 -5.24,115 -5.13,116 -4.8,119 41,121 2,125 6,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 3,176 3,178 12,181 1,182 4,186 3,189 9,193 8,199 3,203 9,206 1,211 1,215 6,218 1,226 6,229 2,236 1,237 4,244 1,249 2,252 1,256 2,259 1902,260 22.239,261 22.239,262 22.239,263 22.239,264 22.239,265 19.8,266 22.481,267 13.385,268 22.754,269 17.835,270 17.835,271 17.835,272 17.835,273 17.835,274 14.263,275 22.815,276 6.441,277 18.685,278 4.467,279 2.575,280 1.603,281 0.93,282 0.82,283 0.689,284 4.214,288 1,289 1,290 1061,291 3.317,294 170.989,295 329.775,298 145.574,302 2.398,303 22.037,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68.5,315 474,316 4.571,317 3.243,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.131,326 3.058,327 6.098,328 3.705,329 2.769,330 3.732,331 0.8,332 8.897,333 2.59,334 3.905,335 2.918,336 5.572,337 3.629,338 2.696,339 3.445,341 7.627,342 2.551,343 3.698,344 2.802,345 5.384,346 3.509,347 2.529,348 2.848,350 7.083,351 2.442,352 3.491,353 2.663,354 5.26,355 3.284,356 2.347,357 2.682,359 6.675,360 2.187,361 3.303,362 2.413,363 5.108,364 3.003,365 2.059,366 2.595,368 6.137,369 1.942,370 3.225,371 2.038,372 4.651,373 2.757,374 1.812,375 2.331,377 4.862,378 1.706,379 2.941,380 1.787,381 4.506,382 2.657,383 1.707,384 2.082,386 4.646,387 1.608,388 2.861,389 1.586,390 4.072,391 2.485,392 1.491,393 1.927,395 3.309,396 1.478,397 2.687,398 1.286,399 3.638,400 2.204,401 1.236,402 1.754,404 3.146,405 1.193,406 2.5,407 1.146,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.383,416 1,417 3.341,418 1.967,419 1,420 1.331,422 2.146,423 0.965,424 2.118,425 0.975,426 3.247,427 1.883,428 0.922,429 1,431 2.136,432 0.884,433 2.077,434 0.822,435 3.214,436 1.678,437 0.703,438 0.927,440 1.646,441 0.684,442 2,443 0.702,444 3.137,445 1.573,446 0.618,447 0.897,449 1.501,450 0.588,451 15.186,452 0.475,453 0.602,454 0.019,455 39.5,456 1.234,457 18,458 0.563,459 21.5,460 0.672,461 28.27,462 0.883,463 34.614,464 0.567,465 28.06,466 0.877,467 7.89,468 0.247,469 7.852,470 0.245,471 0.019,473 0.277,474 1,479 0.688,480 1.305,481 0.802,482 1.145,483 0.531,484 1.016,485 1.107,486 1.035,487 1.02,488 0.956,489 0.83,490 0.962,491 1.087,492 0.97,493 1.134,494 1.059,495 1.119,496 1.098,497 0.674,498 1.12,499 0.955,500 1.194,501 0.674,502 1.136,503 1.226,504 1.034,505 0.891,506 0.887,507 1.46,508 0.857,509 1.459,510 1.045,511 1.046,512 0.907,513 1.657,514 0.919,515 0.787,516 1.077,517 0.983,518 1.135,519 0.847,520 1.1,521 1.21,522 1.03,523 1.076,524 1.001,525 1.26,526 1.016,527 5.5,528 0.111,529 2.889,530 1.194,531 1.272,532 0.927,533 0.467,534 0.364,535 0.22,536 0.213,537 17800,538 41244,539 2.194,540 47.5,542 21,543 1,544 2,545 1,547 4,550 1.738,551 2.133,552 3.828,553 -0.372,555 1,559 89.287,560 1.464,561 3.356,562 4.328,563 5,564 5.111,565 5.242,566 3.281,567 4.313,568 4.969,569 4.031,570 1999.41,571 8.656,572 31221.4,574 1,577 361.775,578 1.043,579 4.964,580 0.153,581 0.004,582 0.059,583 0.027,584 0.031,585 0.023,586 0.012,587 0.01,588 0.007,589 0.008,590 0.334,591 0.33,592 0.88,593 0.313,594 172.705,595 0.048,596 -0.18,597 0.079,598 -0.079,599 0.023,600 -0.013,601 -0.107,602 0.065,603 -0.072,604 0.035,605 -0.045,606 -0.002,607 -0.07,608 0.085,609 -0.166,610 -0.043,611 -0.073,612 -0.105,613 0.042,614 -0.222,615 -0.006,616 -0.171,617 0.061,618 -0.111,619 0.045,620 -0.011,621 0.15,622 0.088,623 0.02,624 0.126,625 -0.062,626 0.074,627 -0.008,628 0.07,629 -0.08,630 0.045,631 0.111,632 -0.114,633 -0.013,634 -0.14,635 0.032,636 -0.107,637 -0.085,638 -0.046,639 -0.06,640 -0.04,641 -0.067,642 -0.044,643 2.219,644 7.025,645 0.813,646 40.52,647 0.996,648 1.136,649 4.014,650 16.108,651 0.658,652 3.611,653 3.912,654 4.174,655 4.431,656 4.605,657 4.673,658 4.828,659 4.949,660 5.004,661 5.069,662 8.612,663 0.62,664 432.6,665 3.611,666 5.142,667 5.984,668 6.847,669 7.703,670 8.571,671 9.435,672 10.306,673 11.175,674 12.05,675 9.8,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 36,720 65,721 25,722 16,723 4,724 8,728 1,730 5,731 6,743 3,745 16,746 9,761 1,762 1,764 29,765 5,766 1,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 1,827 32,833 8,837 1,838 2,844 1,846 1,854 15,855 10.643,856 7,857 3.747,858 3.538,859 1.434,860 1.023,861 6.515,862 11.69,863 3.861,864 4.431,865 5.009,866 5.592,867 6.028,868 6.356,869 6.809,870 7.229,871 7.437,872 7.67,873 0.9,874 45,875 11.896,877 5.081,878 7.568,879 23.311,881 19.618,883 2.068,884 66.167,887 1,888 329.591,889 135.822,890 58.259,893 14.96,895 135.822,896 329.591,897 73.219,899 19.883,900 84.857,901 74.105,902 36.634,903 28.875,904 294.278,906 329.591,907 194.081,908 14.96,911 297.467,912 47.084,915 62.053,916 98.702,917 33.326,919 344.551,920 58.259,921 135.822,924 331.77,925 31.548,926 110.242,927 16.786,928 48.286,929 329.591,930 73.219,931 135.822,933 0.574,934 0.33,935 0.18,936 0.093,937 24,938 9,939 0.123,940 8,941 1,942 1.077,943 4.625,944 284.315,945 0.077,946 26,947 148,951 21.173,952 9.846,953 5.221,954 2.084,955 54.535,956 22.006,957 7.741,958 3.276,961 3.374,962 1.862,963 16.786,964 538.632,965 46.5,975 60.727,976 69.312,977 0.247,978 0.566,979 0.73,980 0.843,981 0.862,982 0.884,983 5.083,984 1.707,985 5.938,986 4.862,987 4.595,988 5.118,989 1.072,990 6.698,991 4.507,992 6.252,993 1.491,994 7.456,995 4.646,996 4.007,997 4.732,998 0.57,999 7.466,1000 3.853,1001 7.528,1002 1.236,1003 9.072,1004 3.309,1005 6.138,1006 7.272,1007 0.653,1008 10.555,1009 5.969,1010 8.842,1011 1,1012 10.748,1013 3.146,1014 6.415,1015 7.842,1016 0.479,1017 12.2,1018 6.191,1019 10.192,1020 1,1021 12.464,1022 2.275,1023 7.948,1024 9.774,1025 0.432,1026 14.774,1027 7.711,1028 11.57,1029 0.922,1030 14.208,1031 2.146,1032 8.636,1033 10.815,1034 0.346,1035 16.797,1036 8.36,1037 12.969,1038 0.703,1039 15.973,1040 2.136,1041 9.917,1042 12.491,1043 0.291,1044 19.201,1045 9.626,1046 3.126,1047 0.618,1048 17.756,1049 1.646,1050 10.812,1051 13.769,1052 0.237,1053 21.394,1054 10.496,1055 2.769,1056 10.462,1057 19.551,1058 1.501,1059 11.985,1060 15.337,1061 0.195,1062 23.743,1063 11.654,1064 2.696,1065 8.897,1066 21.358,1067 4.519,1068 12.987,1069 16.731,1070 0.158,1071 26.013,1072 12.638,1073 2.529,1074 7.627,1075 23.174,1076 3.732,1077 14.116,1078 18.255,1079 0.129,1080 28.348,1081 13.754,1082 2.347,1083 7.083,1084 24.998,1085 3.445,1086 15.173,1087 19.705,1088 0.104,1089 30.653,1090 14.797,1091 2.059,1092 6.675,1093 26.829,1094 2.848,1095 16.288,1096 21.213,1097 0.084,1098 32.987,1099 15.901,1100 1.812,1101 6.137,1102 28.666,1103 2.682,1104 17.375,1105 22.691,1106 0.068,1107 35.31,1108 16.976,1109 16231,1110 24916,1111 25.137,1112 40.108,1113 54.048,1114 53.442,1115 53.603,1116 53.43,1117 53.346,1118 68.718,1119 3.2,1120 148.042,1121 50.957,1122 5.571,1123 5.243,1124 6.374,1125 5.174,1126 5.126,1127 7.519,1128 1.2,1129 17.208,1130 5.068,1131 7.287,1132 1.501,1133 1.484,1134 1.489,1135 1.484,1136 1.482,1137 1.909,1138 0.089,1139 4.112,1140 1.415,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.19,1146 4.07,1147 3.942,1148 3.991,1149 3.856,1150 3.866,1151 5.135,1152 3.858,1153 3.843,1154 3.911,1155 3.792,1156 3.651,1157 4.925,1158 3.664,1159 3.812,1160 3.879,1161 3.719,1162 3.578,1163 4.753,1164 3.615,1165 3.56,1166 3.627,1167 3.449,1168 3.379,1169 4.367,1170 3.387,1171 3.35,1172 3.421,1173 3.224,1174 3.201,1175 4.252,1176 3.194,1177 3.251,1178 3.322,1179 3.121,1180 3.078,1181 3.951,1182 3.079,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.814,1188 2.91,1189 0.127,1190 0.09,1191 0.183,1192 0.114,1193 0.087,1194 4.571,1195 0.126,1196 3.243,1197 0.022,1198 6.572,1199 0.291,1200 4.106,1201 0.085,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.072,1210 2.064,1211 1.363,1212 2.067,1213 1.926,1214 1.893,1215 2.039,1216 2.044,1217 1.255,1218 2.044,1219 1.794,1220 1.727,1221 1.982,1222 1.973,1223 1.181,1224 1.984,1225 1.642,1226 1.586,1227 1.828,1228 1.827,1229 1.066,1230 1.831,1231 1.418,1232 1.346,1233 1.652,1234 1.672,1235 0.864,1236 1.654,1237 1.377,1238 1.31,1239 1.548,1240 1.585,1241 0.825,1242 1.593,1243 1.247,1244 1.179,1245 1.513,1246 1.457,1247 0.696,1248 1.472,1249 1.153,1250 1.064,1251 1.464,1252 1.442,1253 0.579,1254 1.429,1255 4.29,1257 5.595,1258 3.045,1259 7.081,1260 5.283,1261 8.648,1262 7.286,1263 10.261,1267 15.025,1271 6.932,1275 -0.886,1276 4.754,1280 37.833,1281 89.287,1282 204.725,1283 264.001,1284 305.02,1285 311.775,1286 319.775,1287 48.313,1288 8.152,1289 52.98,1290 52.98,1291 28,1292 12.591,1293 4.459,1294 3.524,1295 46.112,1296 166,1297 168,1298 0.131,1299 229.229,1300 383.97,1301 551.08,1302 48458,1303 1.6,1304 21.753,1305 0.68,1306 0.569,1307 20.882,1308 18.199,1309 15.742,1310 0.437,1311 0.314,1312 11.156,1313 15.111,1314 10.96,1315 9.002,1316 15.348,1317 11.322,1318 13.924,1319 0.284,1320 0.175,1321 13.278,1322 8.592,1323 11.784,1324 0.184,1325 0.1,1326 11.53,1327 6.39,1328 9.915,1329 0.119,1330 0.055,1331 9.52,1332 4.541,1333 7.643,1334 0.077,1335 0.032,1336 7.34,1337 3.161,1338 0.215,1339 98.574,1340 0.199,1341 30.82,1342 0.336,1343 170,1344 468.67,1345 185.016,1346 433.643,1347 596.13,1348 410,1349 198,1350 437.476,1351 214.19,1352 440.66,1353 639.43,1354 415,1355 8.167} {0 CHEMBL305062,1 1.535,2 14.813,3 3.519,4 12.381,5 125.646,6 7.226,7 0.583,8 4.198,9 4.327,10 3.753,11 3.723,12 5.229,13 3.702,14 4.771,15 4.952,16 4.09,17 4.138,18 5.747,19 4.093,20 5.036,21 5.262,22 4.061,23 4.266,24 5.95,25 4.165,26 5.101,27 5.355,28 4.003,29 4.244,30 5.953,31 4.119,32 5.081,33 5.356,34 3.984,35 4.164,36 6.002,37 4.048,38 4.982,39 5.245,40 3.927,41 4.111,42 5.902,43 4.011,44 4.924,45 5.169,46 3.912,47 4.099,48 5.877,49 3.98,50 4.943,51 5.227,52 3.722,53 4.014,54 5.773,55 3.873,56 0.039,57 0.982,58 12.89,59 5.5,60 11.817,61 7.385,62 0.264,63 1.61,64 25.216,65 9.272,66 25.42,67 12.519,68 0.424,69 1.929,70 35.064,71 12.765,72 47.262,73 17.41,74 0.375,75 1.93,76 38.24,77 13.803,78 43.366,79 19.383,80 0.478,81 2.021,82 38.946,83 13.44,84 62.961,85 18.609,86 0.461,87 1.852,88 34.918,89 11.631,90 56.903,91 15.978,92 0.482,93 1.718,94 31.664,95 11.297,96 52.899,97 16.079,98 0.376,99 1.639,100 33.552,101 10.942,102 45.114,103 16.004,104 2,105 49,106 0.247,107 0.578,108 0.767,109 0.835,110 0.843,111 0.843,112 3.502,113 0.934,114 -5.24,115 -5.13,116 -4.8,119 41.7,121 3,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 10,171 2,172 7,176 3,178 11,182 5,186 3,189 7,192 1,193 8,199 4,203 7,206 1,211 7,215 4,218 1,222 6,226 6,229 2,233 4,236 1,237 4,242 2,244 2,249 2,256 3,259 1902,260 22.239,261 22.239,262 22.239,263 22.239,264 22.239,265 19.8,266 24.21,267 13.385,268 22.755,269 17.835,270 17.835,271 17.835,272 17.835,273 17.835,274 14.263,275 27.776,276 6.441,277 18.699,278 4.372,279 2.313,280 1.138,281 0.713,282 0.667,283 0.667,284 4.214,288 1,289 1,290 1061,291 3.317,294 170.989,295 329.775,298 145.574,302 2.398,303 25.256,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 474,316 4.571,317 3.242,318 6.572,319 4.106,320 3.126,321 4.519,322 1.151,323 10.462,324 3.068,325 4.131,326 3.065,327 6.098,328 3.705,329 2.769,330 3.732,331 0.8,332 8.897,333 2.591,334 3.905,335 2.962,336 5.572,337 3.633,338 2.696,339 3.445,341 7.627,342 2.533,343 3.698,344 2.843,345 5.384,346 3.502,347 2.529,348 2.848,350 7.083,351 2.459,352 3.491,353 2.649,354 5.26,355 3.295,356 2.347,357 2.682,359 6.675,360 2.205,361 3.303,362 2.425,363 5.108,364 3.003,365 2.059,366 2.595,368 6.137,369 1.94,370 3.225,371 2.04,372 4.651,373 2.756,374 1.812,375 2.331,377 4.862,378 1.704,379 2.941,380 1.787,381 4.506,382 2.654,383 1.707,384 2.082,386 4.646,387 1.598,388 2.861,389 1.64,390 4.072,391 2.48,392 1.491,393 1.927,395 3.309,396 1.473,397 2.687,398 1.286,399 3.638,400 2.204,401 1.236,402 1.754,404 3.146,405 1.192,406 2.5,407 1.09,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.383,416 1.077,417 3.341,418 1.984,419 1,420 1.331,422 2.146,423 0.983,424 2.118,425 1,426 3.247,427 1.883,428 0.922,429 1,431 2.136,432 0.883,433 2.077,434 0.975,435 3.214,436 1.614,437 0.703,438 0.927,440 1.646,441 0.633,442 2,443 0.703,444 3.137,445 1.557,446 0.618,447 0.897,449 1.501,450 0.578,451 15.119,452 0.472,453 0.602,454 0.019,455 39.25,456 1.227,457 18,458 0.563,459 21.25,460 0.664,461 28.481,462 0.89,463 34.681,464 0.578,465 27.849,466 0.87,467 7.765,468 0.243,469 7.977,470 0.249,471 0.019,473 0.284,474 1,479 0.701,480 1.231,481 0.781,482 1.133,483 0.559,484 0.999,485 1.142,486 1.041,487 1.016,488 1.007,489 0.884,490 0.991,491 1.194,492 1.018,493 1.124,494 1.087,495 1.157,496 1.099,497 0.937,498 1.027,499 0.984,500 1.075,501 0.771,502 1.054,503 1.175,504 1.107,505 0.924,506 0.968,507 1.52,508 0.925,509 1.412,510 1.072,511 1.047,512 0.898,513 1.648,514 0.911,515 0.736,516 1.092,517 1.01,518 1.153,519 0.924,520 1.137,521 0.957,522 0.942,523 1.021,524 0.96,525 0.912,526 0.988,527 5.5,528 0.111,529 2.889,530 1.194,531 1.272,532 0.927,533 0.467,534 0.364,535 0.22,536 0.213,537 17800,538 42958,539 2.194,540 46.7,542 18,543 1,544 2,545 1,547 2,548 4,550 1.738,551 2.133,552 3.828,553 -0.372,555 1,559 92.101,560 1.535,561 3.593,562 4.769,563 5.194,564 5.24,565 5.24,566 3.281,567 4.313,568 4.969,569 4.031,570 1999.41,571 8.656,572 31221.4,574 1,577 354.413,578 1.043,579 4.964,580 0.153,581 0.004,582 0.059,583 0.027,584 0.031,585 0.023,586 0.012,587 0.01,588 0.007,589 0.008,590 0.334,591 0.33,592 0.88,593 0.313,594 172.705,595 0.031,596 -0.128,597 0.076,598 -0.066,599 0.008,600 -0.004,601 -0.106,602 0.034,603 -0.081,604 -0.001,605 -0.062,606 -0.03,607 -0.093,608 0.016,609 -0.149,610 -0.072,611 -0.078,612 -0.111,613 -0.004,614 -0.135,615 -0.006,616 -0.076,617 0.035,618 -0.051,619 0.03,620 -0.036,621 0.11,622 0.03,623 0.001,624 0.071,625 -0.135,626 0.043,627 -0.014,628 0.085,629 -0.127,630 0.062,631 0.197,632 -0.087,633 -0.038,634 -0.156,635 0.085,636 -0.144,637 -0.055,638 -0.025,639 -0.022,640 -0.01,641 -0.025,642 -0.009,643 2.241,644 7.007,645 0.813,646 40.52,647 0.999,648 1.134,649 4.014,650 16.108,651 0.659,652 3.611,653 3.912,654 4.174,655 4.431,656 4.605,657 4.673,658 4.828,659 4.949,660 5.004,661 5.069,662 8.612,663 0.625,664 433.58,665 3.611,666 5.142,667 5.984,668 6.847,669 7.703,670 8.571,671 9.435,672 10.306,673 11.175,674 12.05,675 8.3,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 60,716 21,717 2,718 36,720 64,721 25,722 16,723 4,724 8,728 1,730 5,731 6,740 3,743 5,745 16,746 9,761 1,762 1,764 28,765 5,766 1,767 7,773 5,777 0.8,778 1,788 1,792 2,793 3,796 1,815 1,818 1,819 4,825 1,827 32,833 7,835 1,837 2,838 1,844 1,846 1,847 1.7,851 1,854 15,855 10.443,856 7,857 3.67,858 3.538,859 1.434,860 1.016,861 6.515,862 11.69,863 3.861,864 4.431,865 5.009,866 5.592,867 6.028,868 6.356,869 6.809,870 7.229,871 7.437,872 7.67,873 0.9,874 45,875 11.903,877 5.11,878 7.609,879 23.188,881 19.533,883 2.109,884 67.5,887 1,888 317.82,889 136.632,890 55.135,892 11,893 14.96,895 136.632,896 328.82,897 70.095,899 20.692,900 84.857,901 85.105,902 33.51,903 28.875,904 282.506,906 317.82,907 191.767,908 25.96,911 262.153,912 70.627,913 11,915 59.739,916 98.702,917 33.326,919 332.78,920 66.135,921 136.632,924 319.999,925 32.358,926 107.118,927 16.786,928 59.286,929 317.82,930 81.095,931 136.632,933 0.574,934 0.33,935 0.18,936 0.093,937 24,938 9,939 0.125,940 8,941 1,942 1.077,943 4.625,944 284.315,945 0.077,946 26,947 146,951 21.173,952 9.846,953 5.221,954 2.062,955 62.41,956 21.594,957 7.73,958 3.266,961 3.171,962 1.854,963 16.786,964 535.547,965 46.5,975 59.952,976 68.023,977 0.26,978 0.608,979 0.807,980 0.879,981 0.887,982 0.887,983 5.083,984 1.707,985 5.938,986 4.862,987 4.595,988 5.118,989 1.528,990 6.698,991 4.505,992 6.252,993 1.491,994 7.456,995 4.646,996 4.007,997 4.732,998 0.325,999 7.466,1000 3.862,1001 7.528,1002 1.236,1003 9.072,1004 3.309,1005 6.138,1006 7.272,1007 1.603,1008 10.555,1009 5.967,1010 8.842,1011 1,1012 10.748,1013 3.146,1014 6.415,1015 7.842,1016 0.268,1017 12.2,1018 6.196,1019 10.192,1020 1,1021 12.464,1022 2.275,1023 7.948,1024 9.774,1025 1.778,1026 14.774,1027 7.71,1028 11.57,1029 0.922,1030 14.208,1031 2.146,1032 8.636,1033 10.815,1034 0.188,1035 16.797,1036 8.362,1037 12.969,1038 0.703,1039 15.973,1040 2.136,1041 9.917,1042 12.491,1043 1.991,1044 19.201,1045 9.626,1046 3.126,1047 0.618,1048 17.756,1049 1.646,1050 10.812,1051 13.769,1052 0.125,1053 21.394,1054 10.497,1055 2.769,1056 10.462,1057 19.551,1058 1.501,1059 11.985,1060 15.337,1061 2.225,1062 23.743,1063 11.654,1064 2.696,1065 8.897,1066 21.358,1067 4.519,1068 12.987,1069 16.731,1070 0.082,1071 26.013,1072 12.637,1073 2.529,1074 7.627,1075 23.174,1076 3.732,1077 14.116,1078 18.255,1079 2.473,1080 28.348,1081 13.754,1082 2.347,1083 7.083,1084 24.998,1085 3.445,1086 15.173,1087 19.705,1088 0.054,1089 30.653,1090 14.796,1091 2.059,1092 6.675,1093 26.829,1094 2.848,1095 16.288,1096 21.213,1097 2.73,1098 32.987,1099 15.9,1100 1.812,1101 6.137,1102 28.666,1103 2.682,1104 17.375,1105 22.691,1106 0.035,1107 35.31,1108 16.974,1109 16231,1110 25392,1111 25.137,1112 39.557,1113 54.048,1114 53.77,1115 53.603,1116 53.379,1117 53.346,1118 68.718,1119 3.902,1120 148.042,1121 50.866,1122 5.571,1123 5.242,1124 6.374,1125 5.166,1126 5.126,1127 7.519,1128 2.302,1129 17.208,1130 5.068,1131 7.287,1132 1.501,1133 1.494,1134 1.489,1135 1.483,1136 1.482,1137 1.909,1138 0.108,1139 4.112,1140 1.413,1141 4.155,1142 4.192,1143 4.115,1144 4.062,1145 8.19,1146 4.07,1147 3.932,1148 3.971,1149 3.849,1150 3.852,1151 5.135,1152 3.846,1153 3.848,1154 3.912,1155 3.792,1156 3.693,1157 4.925,1158 3.695,1159 3.818,1160 3.883,1161 3.727,1162 3.584,1163 4.79,1164 3.622,1165 3.556,1166 3.613,1167 3.447,1168 3.382,1169 4.526,1170 3.39,1171 3.304,1172 3.363,1173 3.206,1174 3.13,1175 4.254,1176 3.14,1177 3.209,1178 3.27,1179 3.077,1180 3.016,1181 4.162,1182 3.017,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.822,1188 2.91,1189 0.127,1190 0.09,1191 0.183,1192 0.114,1193 0.087,1194 4.571,1195 0.126,1196 3.242,1197 0.032,1198 6.572,1199 0.291,1200 4.106,1201 0.085,1202 3.126,1203 4.519,1204 1.151,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.06,1210 2.059,1211 1.405,1212 2.06,1213 1.909,1214 1.881,1215 2.036,1216 2.037,1217 1.25,1218 2.038,1219 1.822,1220 1.765,1221 2.008,1222 1.973,1223 1.132,1224 1.989,1225 1.648,1226 1.598,1227 1.833,1228 1.826,1229 1.083,1230 1.831,1231 1.406,1232 1.336,1233 1.576,1234 1.667,1235 0.825,1236 1.642,1237 1.322,1238 1.264,1239 1.513,1240 1.542,1241 0.753,1242 1.535,1243 1.17,1244 1.112,1245 1.492,1246 1.442,1247 0.611,1248 1.429,1249 1.153,1250 1.064,1251 1.437,1252 1.407,1253 0.58,1254 1.417,1255 4.29,1257 5.595,1258 3.045,1259 7.081,1260 5.283,1261 8.648,1262 7.286,1263 10.261,1267 15.007,1271 5.176,1273 6.062,1275 -0.649,1276 2.227,1280 37.527,1281 92.101,1282 215.605,1283 286.149,1284 311.659,1285 314.413,1286 314.413,1287 51.155,1288 8.152,1289 58.97,1290 58.97,1291 28,1292 12.591,1293 4.459,1294 3.524,1295 46.112,1296 166,1297 168,1298 0.131,1299 226.431,1300 381.76,1301 544.252,1302 48458,1303 1.7,1304 21.753,1305 0.68,1306 0.563,1307 20.882,1308 18.03,1309 15.742,1310 0.437,1311 0.311,1312 11.044,1313 15.086,1314 10.86,1315 8.917,1316 15.348,1317 11.214,1318 13.924,1319 0.284,1320 0.174,1321 13.278,1322 8.511,1323 11.784,1324 0.184,1325 0.097,1326 11.53,1327 6.229,1328 9.915,1329 0.119,1330 0.054,1331 9.52,1332 4.46,1333 7.643,1334 0.077,1335 0.031,1336 7.34,1337 3.09,1338 0.215,1339 98.87,1340 0.199,1341 30.82,1342 0.336,1343 170,1344 492.76,1345 186.477,1346 450.379,1347 615.89,1348 426,1349 198,1350 447.909,1351 215.291,1352 449.576,1353 653.39,1354 423,1355 7.523} {0 CHEMBL305301,1 1.591,2 14.853,3 3.965,4 15.721,5 128.7,6 7.682,7 0.553,8 4.225,9 4.357,10 3.819,11 3.728,12 5.315,13 3.724,14 4.805,15 4.995,16 4.215,17 4.146,18 6.015,19 4.127,20 5.078,21 5.305,22 4.163,23 4.298,24 6.141,25 4.218,26 5.151,27 5.405,28 4.153,29 4.298,30 6.115,31 4.193,32 5.202,33 5.483,34 4.161,35 4.193,36 6.303,37 4.12,38 5.027,39 5.282,40 4.07,41 4.109,42 6.167,43 4.048,44 4.952,45 5.199,46 4.045,47 4.101,48 5.982,49 4.018,50 4.999,51 5.269,52 3.912,53 4.018,54 6.083,55 3.935,56 0.098,57 1.168,58 11.991,59 5.448,60 16.89,61 7.034,62 0.549,63 2.028,64 24.958,65 8.997,66 68.246,67 11.872,68 0.8,69 2.283,70 36.2,71 12.911,72 83.465,73 16.649,74 0.453,75 2.307,76 39.514,77 14.702,78 65.291,79 20.252,80 1.044,81 2.472,82 46.314,83 14.117,84 135.203,85 18.58,86 1.003,87 2.155,88 37.375,89 11.428,90 108.462,91 14.652,92 0.559,93 1.94,94 32.211,95 11.257,96 56.77,97 15.607,98 0.767,99 2,100 36.59,101 11.205,102 102.387,103 14.612,104 10,105 54,106 0.255,107 0.571,108 0.718,109 0.825,110 0.835,111 0.856,112 3.56,113 0.906,114 -5.71,115 -5.58,116 -5.2,119 41,121 2,125 6,130 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 3,176 3,178 10,181 1,182 4,186 3,189 7,193 8,199 3,203 8,206 1,211 1,215 6,218 1,226 6,229 2,236 1,237 3,244 1,249 2,252 1,256 2,259 2262,260 22.98,261 22.98,262 22.98,263 22.98,264 22.98,265 20.516,266 25.398,267 13.515,268 23.639,269 18.817,270 18.817,271 18.817,272 18.817,273 18.817,274 15.178,275 26.44,276 6.5,277 19.962,278 4.34,279 2.367,280 1.454,281 0.787,282 0.721,283 0.59,284 4.266,288 1,289 1,290 1121,291 3.808,294 184.157,295 354.736,298 157.161,302 2.458,303 43.851,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 75.5,315 505,316 4.586,317 4.023,318 6.815,319 4.203,320 3.282,321 4.521,322 1.51,323 11.338,324 3.095,325 4.226,326 3.17,327 6.511,328 3.991,329 3.052,330 3.734,331 0.8,332 10.251,333 2.78,334 4.099,335 3.016,336 6.091,337 3.673,338 2.738,339 3.648,340 0.8,341 8.867,342 2.61,343 4.044,344 2.93,345 5.538,346 3.651,347 2.685,348 3.239,350 7.53,351 2.549,352 3.607,353 2.863,354 5.435,355 3.49,356 2.563,357 2.758,359 7.222,360 2.359,361 3.377,362 2.565,363 5.147,364 3.056,365 2.135,366 2.638,368 6.285,369 1.97,370 3.303,371 2.379,372 5.023,373 2.91,374 1.947,375 2.565,377 5.764,378 1.862,379 3.232,380 2.093,381 4.734,382 2.846,383 1.906,384 2.5,386 5.266,387 1.769,388 3.062,389 1.789,390 4.513,391 2.716,392 1.76,393 2.08,395 4.654,396 1.677,397 2.715,398 1.312,399 4.121,400 2.218,401 1.247,402 1.813,404 3.369,405 1.208,406 2.67,407 1.289,408 3.499,409 2.197,410 1.21,411 1.746,413 2.63,414 1.19,415 2.39,416 1.146,417 3.472,418 1.967,419 1,420 1.34,422 2.275,423 0.965,424 2.118,425 0.978,426 3.414,427 1.888,428 0.927,429 1,431 2.155,432 0.888,433 2.09,434 0.833,435 3.32,436 1.688,437 0.713,438 0.927,440 1.697,441 0.693,442 2,443 0.705,444 3.207,445 1.587,446 0.633,447 0.911,449 1.556,450 0.602,451 15.757,452 0.463,453 0.895,454 0.026,455 41,456 1.206,457 18,458 0.529,459 23,460 0.676,461 31.51,462 0.927,463 37.643,464 0.617,465 32.291,466 0.95,467 8.302,468 0.244,469 8.148,470 0.24,471 0.054,472 0.032,473 0.267,475 2,477 1,479 0.587,480 1.159,481 0.707,482 1.143,483 0.514,484 1,485 0.758,486 0.958,487 0.867,488 0.958,489 0.548,490 0.931,491 1.084,492 0.957,493 1.174,494 1.055,495 1.098,496 1.122,497 0.661,498 1.062,499 0.868,500 1.193,501 0.643,502 1.12,503 1.284,504 1.078,505 0.973,506 0.89,507 1.388,508 0.861,509 1.405,510 1.034,511 1.155,512 0.904,513 1.51,514 0.95,515 0.702,516 1.008,517 0.892,518 1.133,519 0.74,520 1.088,521 1.347,522 1.117,523 1.162,524 1.003,525 1.354,526 1.022,527 8,528 0.144,529 3.556,530 2.007,531 1.818,532 1.146,533 0.731,534 0.548,535 0.306,536 0.313,537 20122,538 56898,539 2.138,540 44.3,542 19,543 1,544 2,545 1,547 2,548 2,550 1.755,551 2.03,552 3.827,553 -0.334,559 97.032,560 1.591,561 3.564,562 4.477,563 5.144,564 5.209,565 5.341,566 3.268,567 4.793,568 5.056,569 4.054,570 2274.26,571 8.837,572 36735.7,577 361.775,578 1.396,579 5.027,580 0.211,581 0.005,582 0.066,583 0.041,584 0.039,585 0.025,586 0.017,587 0.013,588 0.009,589 0.01,590 0.435,591 0.33,592 0.63,593 0.459,594 186.254,595 -0.003,596 -0.148,597 0.059,598 -0.078,599 -0.025,600 -0.015,601 0.051,602 0.049,603 0.006,604 0.032,605 0.153,606 0.019,607 -0.098,608 0.088,609 -0.225,610 -0.038,611 -0.1,612 -0.136,613 0.036,614 -0.228,615 0.07,616 -0.175,617 0.047,618 -0.077,619 -0.049,620 -0.032,621 0.105,622 0.087,623 -0.073,624 0.126,625 -0.102,626 0.104,627 -0.104,628 0.076,629 -0.145,630 0.006,631 0.092,632 -0.12,633 0.055,634 -0.143,635 0.018,636 -0.082,637 -0.165,638 -0.078,639 -0.114,640 -0.04,641 -0.128,642 -0.054,643 4.092,644 7.048,645 0.765,646 44.329,647 1.012,648 1.147,649 4.484,650 20.109,651 0.655,652 3.664,653 4.007,654 4.234,655 4.511,656 4.682,657 4.762,658 4.927,659 5.037,660 5.088,661 5.182,662 8.761,663 0.633,664 468.58,665 3.664,666 5.22,667 6.061,668 6.946,669 7.801,670 8.688,671 9.551,672 10.439,673 11.308,674 12.198,675 9.8,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 61,716 21,717 2,718 38,720 65,721 25,722 16,723 5,724 7,730 5,731 6,738 1,743 3,745 16,746 9,762 3,764 27,765 7,766 1,767 9,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 3,827 34,833 8,838 2,839 1,844 1,846 3,854 16.75,855 10.762,856 7.25,857 3.668,858 3.561,859 1.431,860 1.023,861 6.622,862 11.828,863 3.902,864 4.5,865 5.051,866 5.643,867 6.077,868 6.419,869 6.855,870 7.268,871 7.486,872 7.735,873 0.9,874 49,875 12.817,877 5.753,878 7.904,879 24.114,881 20.36,883 2.404,884 81.75,888 306.049,889 135.112,890 58.259,893 44.88,895 135.112,896 306.049,897 103.14,899 17.703,900 75.381,901 74.105,902 77.499,903 28.875,904 270.735,906 306.049,907 193.371,908 44.88,911 273.924,912 77.005,914 1.824,915 59.874,916 98.347,917 33.326,919 350.929,920 58.259,921 135.112,924 307.873,925 40.669,926 100.766,927 16.786,928 78.206,929 306.049,930 103.14,931 135.112,933 0.587,934 0.327,935 0.177,936 0.092,937 27,938 11,939 0.123,940 8,941 1,942 1.077,943 4.672,944 313.476,945 0.077,946 26,947 162.974,951 22.949,952 9.812,953 5.649,954 1.613,955 84.455,956 17.142,957 7.62,958 3.106,961 2.162,962 1.752,963 16.786,964 544.3,965 48.5,975 61.752,976 69.991,977 0.268,978 0.601,979 0.755,980 0.867,981 0.878,982 0.9,983 5.155,984 1.906,985 6.066,986 5.764,987 4.691,988 5.187,989 2.012,990 6.878,991 4.577,992 6.359,993 1.76,994 7.624,995 5.266,996 4.369,997 4.977,998 0.57,999 7.921,1000 4.117,1001 7.668,1002 1.247,1003 9.285,1004 4.654,1005 6.33,1006 7.369,1007 2.511,1008 10.921,1009 6.093,1010 9.009,1011 1.21,1012 11.007,1013 3.369,1014 6.815,1015 8.011,1016 0.479,1017 12.781,1018 6.441,1019 10.383,1020 1,1021 12.771,1022 2.63,1023 8.26,1024 9.872,1025 3.229,1026 15.348,1027 7.887,1028 11.778,1029 0.927,1030 14.563,1031 2.275,1032 9.102,1033 10.934,1034 0.346,1035 17.529,1036 8.612,1037 13.192,1038 0.713,1039 16.376,1040 2.155,1041 10.355,1042 12.576,1043 4.014,1044 19.97,1045 9.843,1046 3.282,1047 0.633,1048 18.204,1049 1.697,1050 11.363,1051 13.855,1052 0.237,1053 22.281,1054 10.755,1055 3.052,1056 11.338,1057 20.046,1058 1.556,1059 12.545,1060 15.404,1061 4.824,1062 24.688,1063 11.897,1064 2.738,1065 10.251,1066 21.897,1067 4.521,1068 13.632,1069 16.792,1070 0.158,1071 27.052,1072 12.902,1073 2.685,1074 8.867,1075 23.757,1076 3.734,1077 14.791,1078 18.305,1079 5.643,1080 29.453,1081 14.012,1082 2.563,1083 7.53,1084 25.624,1085 3.648,1086 15.915,1087 19.75,1088 0.104,1089 31.841,1090 15.065,1091 2.135,1092 7.222,1093 27.497,1094 3.239,1095 17.07,1096 21.251,1097 6.464,1098 34.244,1099 16.166,1100 1.947,1101 6.285,1102 29.374,1103 2.758,1104 18.214,1105 22.724,1106 0.068,1107 36.644,1108 17.245,1109 18517,1110 31309,1111 25.83,1112 39.983,1113 57.818,1114 56.869,1115 57.319,1116 57.203,1117 56.943,1118 72.489,1119 6.22,1120 164.774,1121 53.658,1122 5.586,1123 6.023,1124 6.411,1125 5.271,1126 5.282,1127 7.521,1128 3.02,1129 18.375,1130 5.095,1131 13.549,1132 1.522,1133 1.497,1134 1.508,1135 1.505,1136 1.499,1137 1.908,1138 0.164,1139 4.336,1140 1.412,1141 4.156,1142 4.193,1143 4.117,1144 4.062,1145 8.358,1146 4.07,1147 3.949,1148 3.995,1149 3.88,1150 3.865,1151 8.201,1152 3.863,1153 3.848,1154 3.914,1155 3.798,1156 3.651,1157 7.999,1158 3.667,1159 3.814,1160 3.882,1161 3.734,1162 3.578,1163 5.134,1164 3.616,1165 3.581,1166 3.642,1167 3.508,1168 3.378,1169 4.924,1170 3.397,1171 3.355,1172 3.425,1173 3.231,1174 3.201,1175 4.644,1176 3.196,1177 3.26,1178 3.328,1179 3.155,1180 3.077,1181 4.357,1182 3.086,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.251,1188 2.91,1189 0.121,1190 0.106,1191 0.179,1192 0.111,1193 0.086,1194 4.586,1195 0.119,1196 4.023,1197 0.04,1198 6.815,1199 0.298,1200 4.203,1201 0.081,1202 3.282,1203 4.521,1204 1.51,1205 11.338,1206 3.095,1207 1.959,1208 1.936,1209 2.057,1210 2.064,1211 1.355,1212 2.063,1213 1.919,1214 1.889,1215 2.034,1216 2.044,1217 1.237,1218 2.043,1219 1.79,1220 1.724,1221 1.969,1222 1.974,1223 1.178,1224 1.977,1225 1.635,1226 1.582,1227 1.799,1228 1.829,1229 1.025,1230 1.821,1231 1.414,1232 1.344,1233 1.642,1234 1.673,1235 0.85,1236 1.65,1237 1.375,1238 1.309,1239 1.534,1240 1.585,1241 0.825,1242 1.59,1243 1.235,1244 1.171,1245 1.513,1246 1.459,1247 0.678,1248 1.462,1249 1.153,1250 1.064,1251 1.449,1252 1.442,1253 0.579,1254 1.429,1255 4.344,1257 5.68,1258 3.045,1259 7.189,1260 5.283,1261 8.776,1262 7.286,1263 10.405,1267 43.444,1271 3.654,1276 4.099,1277 -2.842,1280 38.6,1281 97.032,1282 217.394,1283 273.104,1284 313.775,1285 317.775,1286 325.775,1287 70.309,1288 8.267,1289 52.98,1290 52.98,1291 28,1292 12.731,1293 4.459,1294 3.524,1295 50.381,1296 178,1297 174,1298 0.133,1299 231.626,1300 396.11,1301 556.927,1302 55301,1303 4.9,1304 23.545,1305 0.693,1306 0.553,1307 20.882,1308 18.8,1309 16.449,1310 0.433,1311 0.302,1312 11.259,1313 15.616,1314 11.09,1315 9.061,1316 15.348,1317 11.472,1318 15.553,1319 0.288,1320 0.166,1321 13.278,1322 8.943,1323 12.319,1324 0.181,1325 0.095,1326 11.53,1327 6.443,1328 10.583,1329 0.118,1330 0.051,1331 9.52,1332 4.62,1333 8.065,1334 0.075,1335 0.03,1336 7.34,1337 3.193,1338 0.218,1339 104.316,1340 0.197,1341 32.224,1342 0.344,1343 184,1344 656.892,1345 209.683,1346 559.407,1347 741.68,1348 522,1349 214,1350 531.476,1351 237.438,1352 519.7,1353 760.43,1354 488,1355 7.64} {0 CHEMBL305743,1 1.325,2 7.857,3 5.028,4 25.285,5 86.783,6 6.271,7 0.435,8 3.891,9 4.035,10 3.315,11 3.428,12 4.803,13 3.366,14 4.498,15 4.714,16 3.671,17 3.854,18 5.331,19 3.761,20 4.792,21 5.053,22 3.768,23 4.016,24 5.6,25 3.892,26 4.867,27 5.124,28 3.767,29 4.079,30 5.673,31 3.94,32 4.96,33 5.241,34 3.594,35 4.083,36 5.682,37 3.89,38 4.964,39 5.284,40 3.406,41 3.977,42 5.632,43 3.753,44 4.77,45 5.099,46 3.19,47 3.786,48 5.406,49 3.548,50 4.472,51 4.782,52 3.02,53 3.522,54 5.185,55 3.312,56 0.047,57 0.725,58 11.234,59 4.65,60 5.906,61 6.626,62 0.132,63 1.199,64 20.772,65 7.801,66 14.252,67 11.444,68 0.293,69 1.51,70 28.061,71 10.065,72 27.583,73 14.84,74 0.225,75 1.629,76 30.095,77 11.335,78 25.811,79 16.231,80 0.25,81 1.639,82 32.704,83 12.633,84 29.793,85 18.01,86 0.314,87 1.498,88 32.699,89 11.985,90 35.306,91 17.499,92 0.271,93 1.18,94 26.532,95 9.904,96 26.928,97 14.774,98 0.139,99 0.935,100 19.746,101 7.385,102 16.009,103 10.842,104 19,105 32,106 0.231,107 0.54,108 0.756,109 0.799,110 0.799,111 0.799,112 3.104,113 1.077,114 -5.28,115 -5.17,116 -4.84,119 39.1,120 2,121 5,125 2,127 1,140 2,141 3,142 1,149 1,150 1,169 9,172 4,176 2,178 9,182 4,186 2,189 8,193 2,197 2,199 8,203 2,208 1,211 11,218 1,220 1,222 9,233 8,242 2,244 4,254 2,259 498,260 14.516,261 14.516,262 14.516,263 14.516,264 14.516,265 13.314,266 15.183,267 8.717,268 14.737,269 11.295,270 11.295,271 11.295,272 11.295,273 11.295,274 9.438,275 17.297,276 3.941,277 11.69,278 4.199,279 2.429,280 1.196,281 0.946,282 0.946,283 0.946,284 3.784,288 1,289 1,290 350,291 3.162,294 37.952,295 81.749,298 65.168,299 69.883,302 1.224,303 15.532,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 44.5,315 165,316 4.664,317 3.428,318 6.826,319 4.229,320 3.245,321 4.619,322 0.8,323 11.314,324 3.193,325 3.94,326 3.09,327 6.169,328 3.764,329 2.819,330 3.321,332 9.124,333 2.664,334 3.663,335 2.743,336 5.875,337 3.371,338 2.407,339 2.924,341 7.981,342 2.316,343 3.514,344 2.4,345 5.283,346 3.078,347 2.115,348 2.745,350 6.364,351 2.021,352 2.691,353 1.77,354 4.431,355 2.601,356 1.625,357 1.759,359 4.323,360 1.583,361 2.663,362 1.618,363 4.024,364 2.305,365 1.339,366 1.671,368 3.29,369 1.288,370 2.247,371 1.298,372 3.648,373 2.237,374 1.247,375 1.247,377 2.117,378 1.233,379 2.193,380 0.955,381 3.39,382 1.832,383 0.855,384 1.077,386 2.062,387 0.833,388 2.066,389 0.888,390 3.247,391 1.707,392 0.751,393 0.993,395 2,396 0.714,397 1.688,398 0.768,399 2.925,400 1.617,401 0.651,402 0.672,404 1.046,405 0.625,406 1.154,407 0.299,408 2.669,409 0.891,410 -0.052,411 -0.059,413 -0.123,414 -0.048,415 0.637,416 -0.287,417 2.458,418 0.521,419 -0.445,420 -0.445,422 -0.632,423 -0.428,424 0.555,425 -0.368,426 2.231,427 0.308,428 -0.681,429 -0.795,431 -1.595,432 -0.669,433 0.345,434 -0.536,435 1.899,436 0.161,437 -0.782,438 -0.854,440 -1.96,441 -0.721,442 0.121,443 -0.975,444 1.648,445 -0.129,446 -1.121,447 -1.18,449 -2.442,450 -1.069,451 10.086,452 0.48,453 0.431,454 0.021,455 21,456 1,457 8,458 0.381,459 13,460 0.619,461 21.944,462 1.045,463 24.114,464 0.524,465 12.106,466 0.576,467 3.592,468 0.171,469 6.649,470 0.317,471 0.127,473 0.337,477 1,479 0.654,480 1.219,481 0.94,482 1.188,483 0.53,484 1.116,485 0.76,486 1.074,487 0.935,488 1.047,489 0.507,490 1.013,491 0.836,492 0.93,493 0.918,494 0.933,495 0.694,496 0.931,497 0.935,498 1.081,499 1.014,500 1.076,501 0.805,502 1.057,503 0.896,504 1.077,505 1.069,506 1.15,507 0.967,508 1.141,509 0.812,510 0.838,511 0.947,512 0.931,513 0.838,514 0.953,515 0.415,516 0.678,517 0.82,518 0.873,519 0.449,520 0.896,521 0.588,522 0.919,523 0.887,524 1.009,525 0.576,526 0.991,527 3.5,529 2.667,530 1.181,531 1.374,532 0.632,533 0.415,534 0.286,535 0.177,536 0.121,537 3876,538 7596,539 2.074,540 54.3,541 8,542 7,543 1,545 1,547 8,550 1.637,551 1.938,552 2.994,553 -0.385,559 60.929,560 1.325,561 3.094,562 4.327,563 4.578,564 4.578,565 4.578,566 2.453,567 4.011,568 4.362,569 3.111,570 653.271,571 7.5,572 6750.43,574 1,577 254.084,578 1.418,579 4.322,580 0.152,582 0.083,583 0.035,584 0.042,585 0.024,586 0.02,587 0.017,588 0.013,589 0.015,590 0.401,591 0.67,592 1,593 1.466,594 93.037,595 0.002,596 -0.087,597 0.055,598 -0.011,599 -0.002,600 0.021,601 -0.014,602 -0.055,603 0.05,604 0.011,605 0.052,606 0.034,607 0.061,608 0.059,609 0.068,610 0.063,611 0.068,612 0.066,613 -0.03,614 -0.076,615 -0.033,616 -0.06,617 0.046,618 -0.048,619 -0.039,620 -0.122,621 -0.114,622 -0.146,623 -0.055,624 -0.142,625 -0.005,626 0.02,627 -0.006,628 0.006,629 -0.042,631 0.118,632 0.072,633 0.082,634 0.058,635 0.031,636 0.063,637 0.042,638 -0.109,639 0.035,640 -0.06,641 0.022,642 -0.023,643 1.772,644 6.063,645 0.619,646 14.558,647 0.985,648 1.137,649 4.053,650 16.428,651 0.632,652 3.178,653 3.497,654 3.829,655 4.143,656 4.369,657 4.5,658 4.644,659 4.787,660 4.779,661 4.673,662 4.864,663 0.581,664 288.45,665 3.178,666 4.71,667 5.58,668 6.475,669 7.371,670 8.276,671 9.181,672 10.09,673 10.999,674 11.911,675 4.3,678 1,683 1,687 2,688 3,690 1,693 3,695 10,713 1,714 46,716 10,717 1,718 23,720 48,721 18,722 8,723 5,724 1,730 3,731 6,736 2,740 4,743 6,745 8,746 10,762 1,764 25,765 2,766 1,767 3,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,825 1,827 21,833 7,837 1,838 1,846 1,854 10.833,855 8.676,856 4.806,857 3.393,858 2.102,859 1.302,860 0.982,861 4.416,862 9.065,863 3.367,864 3.956,865 4.594,866 5.225,867 5.715,868 6.103,869 6.449,870 6.82,871 6.835,872 6.877,873 1,874 34,875 7.854,877 3.324,878 7.532,879 15.683,881 13.355,883 2.032,884 42.667,885 0.002,887 1,888 282.506,889 82.744,890 19.91,893 14.96,895 82.744,896 282.506,897 34.87,898 17.65,899 16.884,900 28,902 37.975,903 28.875,904 270.735,906 282.506,907 102.654,908 14.96,911 203.298,912 94.169,915 54.444,916 48.209,919 297.467,920 19.91,921 82.744,924 282.506,925 37.093,926 48.775,927 16.786,928 14.96,929 282.506,930 34.87,931 82.744,933 0.565,934 0.348,935 0.208,936 0.113,937 16,938 7,939 0.104,940 5,941 2,942 1.308,943 3.252,944 165.921,945 0.308,946 13,947 86.239,951 14.743,952 6.291,953 2.772,954 1.759,955 18.084,956 5.63,958 3.044,961 2.469,963 16.786,964 400.12,965 28,975 45.32,976 52.319,977 0.24,978 0.56,979 0.783,980 0.829,981 0.829,982 0.829,983 4.61,984 0.855,985 5.565,986 2.117,987 4.174,988 4.64,989 0.673,990 6.422,991 4.109,992 5.798,993 0.751,994 7.148,995 2.062,996 3.761,997 4.543,998 0.325,999 7.413,1000 3.647,1001 7.114,1002 0.651,1003 8.837,1004 2,1005 5.796,1006 6.892,1007 0.379,1008 10.556,1009 5.673,1010 8.474,1011 -0.052,1012 10.588,1013 1.046,1014 6.256,1015 7.72,1016 0.268,1017 12.377,1018 6.093,1019 9.874,1020 -0.445,1021 12.378,1022 -0.123,1023 7.734,1024 9.542,1025 0.239,1026 15.031,1027 7.564,1028 11.302,1029 -0.681,1030 14.193,1031 -0.632,1032 8.582,1033 10.77,1034 0.188,1035 17.185,1036 8.384,1037 12.75,1038 -0.782,1039 16.027,1040 -1.595,1041 9.851,1042 12.406,1043 0.156,1044 19.68,1045 9.644,1046 3.245,1047 -1.121,1048 17.873,1049 -1.96,1050 10.873,1051 13.808,1052 0.125,1053 21.979,1054 10.646,1055 2.819,1056 11.314,1057 19.73,1058 -2.442,1059 12.066,1060 15.376,1061 0.102,1062 24.42,1063 11.829,1064 2.407,1065 9.124,1066 21.595,1067 4.619,1068 13.165,1069 16.852,1070 0.082,1071 26.784,1072 12.913,1073 2.115,1074 7.981,1075 23.466,1076 3.321,1077 14.333,1078 18.396,1079 0.066,1080 29.209,1081 14.071,1082 1.625,1083 6.364,1084 25.343,1085 2.924,1086 15.468,1087 19.903,1088 0.054,1089 31.602,1090 15.193,1091 1.339,1092 4.323,1093 27.224,1094 2.745,1095 16.63,1096 21.438,1097 0.043,1098 34.023,1099 16.345,1100 1.247,1101 3.29,1102 29.11,1103 1.759,1104 17.782,1105 22.958,1106 0.035,1107 36.432,1108 17.484,1109 3885,1110 5604,1111 15.315,1112 29.086,1113 34.312,1114 34.619,1115 35.985,1116 34.177,1117 34.109,1118 42.057,1119 1.6,1120 99.241,1121 32.943,1122 5.61,1123 5.428,1124 6.628,1125 5.243,1126 5.245,1127 7.619,1128 1.2,1129 18.828,1130 5.193,1131 9.896,1132 1.492,1133 1.505,1134 1.565,1135 1.486,1136 1.483,1137 1.829,1138 0.07,1139 4.315,1140 1.432,1141 4.158,1142 4.19,1143 4.12,1144 4.079,1145 8.201,1146 4.084,1147 3.817,1148 3.885,1149 3.703,1150 3.656,1151 4.91,1152 3.658,1153 3.605,1154 3.673,1155 3.462,1156 3.468,1157 4.387,1158 3.456,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.212,1164 3.32,1165 3.308,1166 3.366,1167 3.204,1168 3.175,1169 4.04,1170 3.171,1171 3.054,1172 3.15,1173 2.874,1174 2.875,1175 3.844,1176 2.855,1177 3.021,1178 3.108,1179 2.836,1180 2.814,1181 3.593,1182 2.813,1183 2.766,1184 2.848,1185 2.561,1186 2.575,1187 3.53,1188 2.559,1189 0.203,1190 0.149,1191 0.297,1192 0.184,1193 0.141,1194 4.664,1195 0.201,1196 3.428,1197 0.035,1198 6.826,1199 0.492,1200 4.229,1201 0.139,1202 3.245,1203 4.619,1204 0.8,1205 11.314,1206 3.193,1207 2.024,1208 2.001,1209 2.13,1210 2.115,1211 1.476,1212 2.121,1213 1.736,1214 1.672,1215 1.96,1216 1.925,1217 1.23,1218 1.937,1219 1.539,1220 1.467,1221 1.861,1222 1.747,1223 1.09,1224 1.785,1225 1.53,1226 1.459,1227 1.721,1228 1.738,1229 0.977,1230 1.744,1231 1.459,1232 1.405,1233 1.648,1234 1.614,1235 0.774,1236 1.636,1237 1.175,1238 1.099,1239 1.484,1240 1.395,1241 0.635,1242 1.432,1243 0.984,1244 0.882,1245 1.364,1246 1.247,1247 0.544,1248 1.291,1249 0.852,1250 0.777,1251 1.24,1252 1.062,1253 0.403,1254 1.131,1255 3.85,1257 5.165,1258 2.398,1259 6.696,1260 4.595,1261 8.339,1262 6.629,1263 10.044,1265 4.498,1267 14.063,1271 7.962,1275 0.612,1276 2.63,1280 26.748,1281 60.929,1282 142.335,1283 199.064,1284 210.574,1285 210.574,1286 210.574,1287 33.769,1288 6.963,1289 19.03,1290 19.03,1291 17,1292 12.425,1293 3.459,1294 2.585,1295 32.017,1296 62,1297 60,1298 0.269,1299 164.33,1300 278.59,1301 392.724,1302 8359,1303 2.2,1304 14.82,1305 0.706,1306 0.623,1307 13.949,1308 13.084,1309 10.241,1310 0.445,1311 0.359,1312 8.182,1313 9.96,1314 7.95,1315 6.638,1316 9.83,1317 8.255,1318 8.806,1319 0.275,1320 0.194,1321 8.267,1322 6.195,1323 7.654,1324 0.17,1325 0.105,1326 7.25,1327 4.724,1328 6.812,1329 0.11,1330 0.061,1331 6.386,1332 3.791,1333 5.43,1334 0.07,1335 0.036,1336 5.075,1337 2.79,1338 0.405,1339 63.339,1340 0.256,1341 20.335,1342 0.788,1343 110,1344 280.089,1345 117.966,1346 250.386,1347 345.93,1348 236,1349 132,1350 257.77,1351 140.418,1352 256.745,1353 382.06,1354 244,1355 7.959} {0 CHEMBL305837,1 1.338,2 11.1,3 6.054,4 36.655,5 124.317,6 6.526,7 0.485,8 4.191,9 4.319,10 3.652,11 3.75,12 5.164,13 3.696,14 4.773,15 4.966,16 3.978,17 4.167,18 5.626,19 4.082,20 5.046,21 5.278,22 4.09,23 4.348,24 5.839,25 4.233,26 5.176,27 5.412,28 4.074,29 4.423,30 5.97,31 4.281,32 5.276,33 5.542,34 3.978,35 4.444,36 5.986,37 4.26,38 5.312,39 5.612,40 3.91,41 4.374,42 6.002,43 4.177,44 5.174,45 5.466,46 3.867,47 4.286,48 5.89,49 4.11,50 5.059,51 5.312,52 3.868,53 4.26,54 5.843,55 4.106,56 0.059,57 0.851,58 14.504,59 6.232,60 11.068,61 8.617,62 0.203,63 1.431,64 26.766,65 10.434,66 20.457,67 14.773,68 0.236,69 1.821,70 35.245,71 13.708,72 26.554,73 19.741,74 0.36,75 2.013,76 40.453,77 15.676,78 36.007,79 22.397,80 0.283,81 2.149,82 44.488,83 17.815,84 35.274,85 25.607,86 0.44,87 2.155,88 46.817,89 17.576,90 45.732,91 25.718,92 0.379,93 1.894,94 40.675,95 15.319,96 40.218,97 22.355,98 0.289,99 1.732,100 36.05,101 14.017,102 31.331,103 19.928,104 20,105 45,106 0.215,107 0.544,108 0.772,109 0.861,110 0.893,111 0.893,112 3.441,113 1.016,114 -5.2,115 -5.1,116 -4.77,119 41.9,120 1,121 6,124 1,125 2,127 1,140 6,141 5,142 1,149 1,150 1,153 1,169 15,172 7,176 3,178 17,182 8,186 2,189 16,193 6,195 1,197 2,199 13,203 6,208 1,211 12,214 1,215 5,218 1,220 1,222 12,225 1,226 2,233 14,237 3,242 2,244 17,249 5,254 2,256 15,259 1534,260 21.024,261 21.024,262 21.024,263 21.024,264 21.024,265 19.07,266 20.667,267 12.514,268 21.342,269 16.138,270 16.138,271 16.138,272 16.138,273 16.138,274 13.046,275 22.606,276 5.629,277 16.559,278 4.616,279 2.578,280 1.162,281 0.605,282 0.411,283 0.411,284 4.141,289 1,290 722,291 3.742,294 64.14,295 238.614,298 109.06,299 114.274,302 1.767,303 17.971,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 63,315 333,316 4.687,317 3.408,318 6.919,319 4.258,320 3.266,321 4.646,322 0.86,323 11.66,324 3.241,325 4.192,326 3.127,327 6.167,328 3.817,329 2.851,330 3.8,331 0.8,332 9.136,333 2.759,334 3.963,335 3.08,336 6.128,337 3.771,338 2.813,339 3.365,341 8.977,342 2.696,343 3.697,344 2.868,345 5.828,346 3.439,347 2.46,348 2.836,350 7.947,351 2.398,352 3.418,353 2.505,354 5.112,355 2.971,356 1.982,357 2.726,359 5.898,360 1.955,361 2.967,362 2.107,363 4.648,364 2.712,365 1.738,366 2.113,368 4.696,369 1.692,370 2.95,371 1.974,372 4.453,373 2.614,374 1.618,375 2.096,377 4.405,378 1.61,379 2.917,380 1.697,381 4.369,382 2.531,383 1.56,384 2.071,386 4.145,387 1.511,388 2.664,389 1.598,390 3.701,391 2.456,392 1.476,393 1.674,395 3.075,396 1.436,397 2.399,398 1.563,399 3.639,400 2.184,401 1.194,402 1.281,404 2.418,405 1.181,406 2.288,407 1.249,408 3.409,409 1.886,410 0.891,411 1.268,413 2.165,414 0.881,415 2.067,416 0.941,417 3.314,418 1.806,419 0.837,420 0.959,422 1.917,423 0.808,424 1.988,425 0.915,426 2.995,427 1.689,428 0.697,429 0.781,431 1.351,432 0.688,433 1.812,434 0.864,435 2.78,436 1.412,437 0.488,438 0.563,440 0.771,441 0.434,442 1.611,443 0.706,444 2.698,445 1.363,446 0.316,447 0.488,449 0.494,450 0.336,451 14.467,452 0.482,453 0.513,454 0.017,455 34.5,456 1.15,457 16,458 0.533,459 18.5,460 0.617,461 30.875,462 1.029,463 32.933,464 0.531,465 24.039,466 0.801,467 6.502,468 0.217,469 8.243,470 0.275,471 0.092,473 0.304,479 0.782,480 1.283,481 0.914,482 1.138,483 0.548,484 1.051,485 1.107,486 1.072,487 1,488 0.974,489 0.691,490 0.971,491 0.814,492 1.059,493 0.951,494 1.006,495 0.479,496 0.985,497 0.964,498 1.089,499 1.108,500 1.1,501 0.752,502 1.112,503 0.689,504 1.159,505 1.039,506 1.156,507 0.677,508 1.138,509 0.713,510 0.932,511 0.896,512 0.928,513 0.841,514 0.93,515 0.768,516 0.853,517 0.878,518 0.861,519 0.947,520 0.874,521 1.029,522 0.992,523 1.066,524 1.04,525 0.937,526 1.052,527 4.5,528 0.166,529 3.556,530 1.785,531 1.445,532 0.819,533 0.7,534 0.458,535 0.26,536 0.229,537 11884,538 25854,539 2.107,540 51.6,541 7,542 14,543 1,544 1,545 1,547 8,550 1.73,551 2,552 3.434,553 -0.448,559 82.949,560 1.338,561 3.377,562 4.792,563 5.349,564 5.543,565 5.543,566 2.856,567 4.64,568 4.88,569 3.642,570 1584.15,571 8.522,572 22260.8,577 369.16,578 1.295,579 4.851,580 0.136,581 0.007,582 0.079,583 0.036,584 0.031,585 0.02,586 0.019,587 0.012,588 0.007,589 0.007,590 0.356,591 0.33,592 1,593 0.992,594 154.239,595 0.014,596 -0.087,597 0.062,598 -0.02,599 0.055,600 0.019,601 -0.102,602 0.045,603 -0.004,604 0.062,605 -0.027,606 0.042,607 -0.019,608 0.007,609 0.023,610 0.005,611 0.064,612 0.019,613 -0.037,614 -0.054,615 -0.127,616 -0.096,617 0.006,618 -0.116,619 -0.001,620 -0.189,621 -0.086,622 -0.156,623 0.002,624 -0.135,625 0.084,626 0.006,627 0.071,628 0.024,629 0.016,630 0.041,631 0.045,632 0.103,633 0.092,634 0.099,635 -0.016,636 0.101,637 -0.081,638 0.003,639 -0.087,640 -0.046,641 -0.09,642 -0.061,643 1.014,644 4.573,645 0.633,646 28.542,647 0.986,648 1.123,649 3.975,650 15.797,651 0.651,652 3.526,653 3.829,654 4.159,655 4.443,656 4.663,657 4.754,658 4.913,659 5.069,660 5.136,661 5.147,662 6.896,663 0.603,664 404.6,665 3.526,666 5.056,667 5.922,668 6.804,669 7.688,670 8.58,671 9.473,672 10.369,673 11.267,674 12.167,675 3.2,678 1,683 1,687 2,688 7,690 1,693 5,695 16,696 1,712 1,714 62,716 17,717 2,718 33,720 65,721 26,722 14,723 6,724 6,725 1,730 4,731 7,736 1,740 4,743 7,745 15,746 11,750 1,755 1,757 1,764 32,765 3,766 1,767 4,773 2,777 0.5,778 2,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 2,827 30,833 8,835 1,837 1,838 1,847 3.2,850 1,852 1,854 15,855 11.533,856 6.917,857 4.142,858 3.108,859 1.394,860 0.982,861 6.786,862 10.991,863 3.761,864 4.327,865 4.96,866 5.558,867 6.06,868 6.344,869 6.688,870 7.061,871 7.17,872 7.321,873 1,874 49,875 11.132,877 4.643,878 7.5,879 22.143,881 18.605,883 2,884 60,888 364.904,889 139.159,890 19.91,892 36.145,895 139.159,896 401.049,897 19.91,898 19.708,899 19.419,900 65.905,901 48.34,902 51.468,903 13.915,904 341.362,906 364.904,907 159.069,908 36.145,911 270.735,912 130.314,915 48.154,916 99.491,917 11.424,919 364.904,920 56.055,921 139.159,924 364.904,925 42.121,926 100.162,927 16.786,928 36.145,929 364.904,930 56.055,931 139.159,933 0.563,934 0.352,935 0.203,936 0.108,937 21,938 9,939 0.138,940 9,941 2,942 1.211,943 4.128,944 268.503,945 0.211,946 19,947 147.207,951 20.991,952 9.699,953 4.443,954 2.215,955 39.269,956 14.544,958 3.265,961 5.85,963 16.786,964 560.118,965 42,970 11.573,972 0.986,975 61.112,976 69.643,977 0.225,978 0.567,979 0.805,980 0.898,981 0.931,982 0.931,983 4.99,984 1.56,985 5.889,986 4.405,987 4.511,988 5.014,989 1.235,990 6.72,991 4.465,992 6.17,993 1.476,994 7.455,995 4.145,996 4.007,997 4.796,998 0.325,999 7.689,1000 3.931,1001 7.47,1002 1.194,1003 9.128,1004 3.075,1005 6.111,1006 7.232,1007 0.938,1008 10.815,1009 6.024,1010 8.815,1011 0.891,1012 10.865,1013 2.418,1014 6.509,1015 7.955,1016 0.268,1017 12.653,1018 6.394,1019 10.2,1020 0.837,1021 12.644,1022 2.165,1023 8.021,1024 9.825,1025 0.732,1026 15.291,1027 7.899,1028 11.613,1029 0.697,1030 14.451,1031 1.917,1032 8.83,1033 10.979,1034 0.188,1035 17.475,1036 8.688,1037 13.049,1038 0.488,1039 16.279,1040 1.351,1041 10.111,1042 12.634,1043 0.57,1044 19.965,1045 9.963,1046 3.266,1047 0.316,1048 18.123,1049 0.771,1050 11.108,1051 13.991,1052 0.125,1053 22.296,1054 10.948,1055 2.851,1056 11.66,1057 19.978,1058 0.494,1059 12.302,1060 15.563,1061 0.438,1062 24.745,1063 12.136,1064 2.813,1065 9.136,1066 21.843,1067 4.646,1068 13.385,1069 17.012,1070 0.082,1071 27.14,1072 13.212,1073 2.46,1074 8.977,1075 23.716,1076 3.8,1077 14.549,1078 18.555,1079 0.334,1080 29.581,1081 14.373,1082 1.982,1083 7.947,1084 25.596,1085 3.365,1086 15.673,1087 20.047,1088 0.054,1089 32.006,1090 15.492,1091 1.738,1092 5.898,1093 27.482,1094 2.836,1095 16.83,1096 21.58,1097 0.252,1098 34.45,1099 16.647,1100 1.618,1101 4.696,1102 29.373,1103 2.726,1104 17.974,1105 23.094,1106 0.035,1107 36.889,1108 17.788,1109 11347,1110 16858,1111 22.364,1112 40.341,1113 49.057,1114 50.514,1115 50.556,1116 48.451,1117 48.373,1118 61.336,1119 3.32,1120 138.11,1121 47.253,1122 5.634,1123 5.408,1124 6.688,1125 5.285,1126 5.266,1127 7.646,1128 1.72,1129 18.941,1130 5.241,1131 12.835,1132 1.487,1133 1.531,1134 1.532,1135 1.468,1136 1.466,1137 1.859,1138 0.101,1139 4.185,1140 1.432,1141 4.167,1142 4.197,1143 4.126,1144 4.094,1145 7.452,1146 4.098,1147 3.942,1148 3.973,1149 3.874,1150 3.868,1151 4.937,1152 3.865,1153 3.801,1154 3.859,1155 3.699,1156 3.655,1157 4.856,1158 3.658,1159 3.607,1160 3.67,1161 3.476,1162 3.47,1163 4.393,1164 3.462,1165 3.47,1166 3.547,1167 3.272,1168 3.331,1169 4.372,1170 3.306,1171 3.344,1172 3.386,1173 3.228,1174 3.222,1175 4.216,1176 3.215,1177 3.249,1178 3.315,1179 3.063,1180 2.971,1181 3.993,1182 2.98,1183 3.129,1184 3.192,1185 3.002,1186 2.917,1187 3.915,1188 2.916,1189 0.142,1190 0.103,1191 0.21,1192 0.129,1193 0.099,1194 4.687,1195 0.141,1196 3.408,1197 0.026,1198 6.919,1199 0.353,1200 4.258,1201 0.098,1202 3.266,1203 4.646,1204 0.86,1205 11.66,1206 3.241,1207 2.032,1208 2.009,1209 2.14,1210 2.117,1211 1.48,1212 2.127,1213 1.92,1214 1.895,1215 2.048,1216 2.017,1217 1.3,1218 2.028,1219 1.721,1220 1.66,1221 1.936,1222 1.9,1223 1.168,1224 1.912,1225 1.556,1226 1.515,1227 1.798,1228 1.767,1229 1.013,1230 1.763,1231 1.527,1232 1.464,1233 1.735,1234 1.7,1235 0.965,1236 1.728,1237 1.49,1238 1.424,1239 1.678,1240 1.653,1241 0.784,1242 1.675,1243 1.197,1244 1.125,1245 1.573,1246 1.512,1247 0.676,1248 1.532,1249 1.176,1250 1.102,1251 1.471,1252 1.39,1253 0.574,1254 1.421,1255 4.205,1257 5.509,1258 2.398,1259 7.029,1260 4.727,1261 8.652,1262 6.843,1263 10.329,1265 4.01,1271 8.833,1273 5.516,1275 0.537,1276 2.671,1280 37.374,1281 82.949,1282 209.344,1283 297.121,1284 331.65,1285 343.65,1286 343.65,1287 47.558,1288 7.882,1289 45.33,1290 45.33,1291 23,1292 12.69,1293 4.17,1294 3.322,1295 46.994,1296 123,1297 118,1298 0.183,1299 228.76,1300 394.68,1301 549.934,1302 30540,1304 20.924,1305 0.697,1306 0.604,1307 20.924,1308 18.117,1309 14.745,1310 0.447,1311 0.339,1312 11.071,1313 14.341,1314 10.756,1315 8.951,1316 14.745,1317 11.177,1318 12.35,1319 0.274,1320 0.185,1321 12.35,1322 8.336,1323 11.079,1324 0.176,1325 0.103,1326 11.079,1327 6.507,1328 9.529,1329 0.113,1330 0.06,1331 9.529,1332 5.047,1333 7.696,1334 0.073,1335 0.035,1336 7.696,1337 3.687,1338 0.287,1339 91.322,1340 0.211,1341 28.288,1342 0.499,1343 156,1344 369.449,1345 164.453,1346 358.771,1347 498.7,1348 340,1349 186,1350 364.709,1351 195.148,1352 374.632,1353 548.36,1354 353,1355 8.469} {0 CHEMBL305976,1 1.235,2 7.235,3 3.415,4 11.659,5 72,6 6.172,7 0.526,8 3.683,9 3.829,10 3.108,11 3.251,12 4.558,13 3.185,14 4.269,15 4.474,16 3.444,17 3.684,18 5.051,19 3.58,20 4.559,21 4.824,22 3.442,23 3.809,24 5.251,25 3.66,26 4.561,27 4.832,28 3.313,29 3.777,30 5.221,31 3.598,32 4.52,33 4.814,34 3.104,35 3.643,36 5.12,37 3.431,38 4.38,39 4.694,40 2.872,41 3.426,42 4.996,43 3.203,44 4.161,45 4.493,46 2.496,47 3.172,48 4.731,49 2.927,50 3.789,51 4.104,52 2.225,53 2.866,54 4.393,55 2.63,56 0.052,57 0.538,58 9.135,59 3.618,60 6.076,61 5.334,62 0.099,63 0.901,64 16.332,65 6.333,66 10.304,67 9.416,68 0.146,69 1.105,70 21.555,71 8.122,72 15.057,73 12.197,74 0.133,75 1.081,76 21.431,77 8.383,78 14.147,79 12.447,80 0.116,81 0.99,82 20.317,83 8.031,84 12.944,85 11.917,86 0.149,87 0.846,88 17.758,89 6.553,90 13.92,91 9.886,92 0.101,93 0.65,94 14.074,95 5.246,96 10.654,97 7.921,98 0.058,99 0.451,100 9.588,101 3.805,102 7.397,103 5.635,104 5,105 26,106 0.226,107 0.588,108 0.808,109 0.871,110 0.881,111 0.881,112 2.91,113 1.057,114 -4.17,115 -4.11,116 -3.89,119 40.5,120 1,121 4,125 1,127 1,140 3,141 3,149 1,150 1,169 9,176 6,178 11,186 5,189 11,197 4,199 7,208 3,211 5,219 1,220 2,222 4,233 4,242 1,244 3,254 1,256 1,259 295,260 11.939,261 11.939,262 11.939,263 11.939,264 11.939,265 10.781,266 11.782,267 7.256,268 12.068,269 9.374,270 9.374,271 9.374,272 9.374,273 9.374,274 7.604,275 14.54,276 3.406,277 9.581,278 3.974,279 2.002,280 0.798,281 0.453,282 0.399,283 0.399,284 3.592,288 1,289 1,290 270,291 2.345,294 27.87,295 59.786,298 47.403,299 51.112,302 1.19,303 5.953,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 35,315 123,316 4.591,317 3.309,318 6.715,319 4.163,320 3.17,321 4.525,322 0.4,323 10.93,324 3.147,325 3.838,326 2.671,327 5.757,328 3.527,329 2.554,330 3.284,332 7.831,333 2.486,334 3.347,335 2.391,336 5.246,337 3.167,338 2.195,339 2.513,341 6.592,342 2.13,343 3.162,344 1.92,345 4.758,346 2.743,347 1.754,348 2.334,350 5.009,351 1.733,352 2.644,353 1.512,354 3.795,355 2.398,356 1.419,357 1.705,359 2.858,360 1.387,361 2.433,362 1.315,363 3.474,364 2.205,365 1.224,366 1.432,368 2.669,369 1.199,370 2.093,371 0.914,372 3.418,373 1.807,374 0.831,375 0.993,377 2.058,378 0.81,379 1.973,380 0.701,381 3.148,382 1.588,383 0.618,384 0.831,386 1.454,387 0.598,388 1.353,389 0.418,390 2.613,391 1.241,392 0.278,393 0.296,395 0.477,396 0.267,397 0.852,398 -0.2,399 2.496,400 0.623,401 -0.36,402 -0.408,404 -0.77,405 -0.353,406 0.632,407 -0.529,408 2.187,409 0.303,410 -0.687,411 -0.8,413 -1.864,414 -0.679,415 0.304,416 -0.882,417 2.115,418 0.037,419 -0.947,420 -1.091,422 -2.078,423 -0.93,424 -0.007,425 -1.088,426 1.572,427 -0.161,428 -1.149,429 -1.441,431 -3.027,432 -1.134,433 -0.101,434 -1.324,435 1.474,436 -0.507,437 -1.477,438 -1.753,440 -3.809,441 -1.419,442 -0.283,443 -1.594,444 1.05,445 -0.637,446 -1.618,447 -1.991,449 -4.613,450 -1.583,451 8.3,452 0.488,453 0.291,454 0.017,455 18.5,456 1.088,457 8,458 0.471,459 10.5,460 0.618,461 14.569,462 0.857,463 18.7,464 0.505,465 9.427,466 0.555,467 3.235,468 0.19,469 5.147,470 0.303,471 0.06,473 0.301,479 1.197,480 1.223,481 1.001,482 1.065,483 1.084,484 1.028,485 1.152,486 1.175,487 1.031,488 1.074,489 0.955,490 1.049,491 1.193,492 0.969,493 0.997,494 0.944,495 0.961,496 0.955,497 1.004,498 1.046,499 1.065,500 1.069,501 1.041,502 1.071,503 0.726,504 1.104,505 0.991,506 1.097,507 0.845,508 1.068,509 0.958,510 0.96,511 0.991,512 0.983,513 0.943,514 0.989,515 1.076,516 0.787,517 0.959,518 0.855,519 1.097,520 0.891,521 0.753,522 0.923,523 0.967,524 0.989,525 0.96,526 0.992,527 2.5,529 1.778,530 0.688,531 0.858,532 0.347,533 0.201,534 0.112,535 0.064,536 0.04,537 2340,538 4000,539 2.163,540 54.1,541 5,542 6,543 1,545 2,547 6,550 1.571,551 2.082,552 2.857,553 0.295,555 1,556 1,557 1,559 45.708,560 1.235,561 3.208,562 4.412,563 4.757,564 4.811,565 4.811,566 2.278,567 3.852,568 4.054,569 2.951,570 401.354,571 6.863,572 3520.9,573 1,574 1,576 1,577 192.75,578 1.166,579 4.043,580 0.132,582 0.068,583 0.027,584 0.041,585 0.022,586 0.017,587 0.014,588 0.011,589 0.013,590 0.345,591 1,592 1,593 1.202,594 69.328,595 -0.028,596 0.01,597 0.058,598 0.053,599 0.012,600 0.06,601 -0.041,602 -0.05,603 -0.008,604 -0.021,605 0.038,606 -0.013,607 -0.089,608 0.054,609 -0.003,610 0.041,611 0.017,612 0.028,613 -0.082,614 -0.056,615 -0.092,616 -0.077,617 -0.112,618 -0.084,619 0.048,620 -0.178,621 -0.041,622 -0.123,623 0.004,624 -0.094,625 0.108,626 -0.035,627 -0.028,628 -0.059,629 0.055,630 -0.054,631 -0.101,632 0.101,633 -0.011,634 0.059,635 -0.116,636 0.035,637 -0.015,638 -0.036,639 -0.031,640 -0.037,641 -0.023,642 -0.035,643 0.664,644 1.159,645 0.765,646 10.221,647 0.977,648 1.128,649 2.938,650 8.633,651 0.645,652 2.996,653 3.296,654 3.611,655 3.912,656 4.143,657 4.234,658 4.344,659 4.443,660 4.369,661 4.19,662 4.317,663 0.589,664 228.37,665 2.996,666 4.511,667 5.371,668 6.252,669 7.136,670 8.029,671 8.923,672 9.82,673 10.718,674 11.617,675 5.4,677 1,683 1,687 2,688 4,690 1,693 2,695 10,714 37,716 10,717 1,718 19,720 39,721 15,722 8,723 4,724 2,730 3,731 6,736 1,740 4,743 5,745 8,746 7,761 1,764 20,765 1,766 2,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,814 1,819 1,823 1,827 17,833 5,834 1,837 1,854 8.167,855 6.667,856 3.833,857 2.597,858 2.119,859 1.322,860 1.01,861 2.998,862 8.702,863 3.219,864 3.812,865 4.456,866 5.089,867 5.576,868 5.932,869 6.289,870 6.632,871 6.515,872 6.56,873 0.8,874 25,875 6.319,877 2.652,878 7.294,879 12.847,881 11.034,883 1.794,884 30.5,885 0.008,888 211.88,889 69.633,890 34.796,895 69.633,896 211.88,897 34.796,898 8.825,899 12.244,900 55.487,902 25.73,903 13.915,904 200.109,906 211.88,907 104.43,911 141.253,912 70.627,915 55.865,916 48.564,919 211.88,920 34.796,921 69.633,924 211.88,925 23.332,926 46.301,927 34.796,929 211.88,930 34.796,931 69.633,933 0.564,934 0.336,935 0.192,936 0.108,937 14,938 5,939 0.077,940 3,941 2,942 1.308,943 3.009,944 122.203,945 0.308,946 13,947 67.487,951 11.001,952 4.633,953 2.03,954 2.699,955 18.011,956 8.78,958 3.307,961 3.107,963 34.796,964 316.31,965 24,975 36.156,976 41.733,977 0.237,978 0.616,979 0.847,980 0.913,981 0.923,982 0.923,983 4.437,984 0.618,985 5.333,986 2.058,987 3.97,988 4.494,989 0.278,990 6.151,991 3.933,992 5.616,993 0.278,994 6.884,995 1.454,996 3.434,997 4.311,999 7.066,1000 3.395,1001 6.919,1002 -0.36,1003 8.543,1004 0.477,1005 5.549,1006 6.751,1007 0.05,1008 10.205,1009 5.484,1010 8.268,1011 -0.687,1012 10.268,1013 -0.77,1014 5.916,1015 7.524,1017 11.998,1018 5.852,1019 9.659,1020 -0.947,1021 12.035,1022 -1.864,1023 7.44,1024 9.39,1025 0.008,1026 14.64,1027 7.36,1028 11.08,1029 -1.149,1030 13.833,1031 -2.078,1032 8.23,1033 10.581,1035 16.784,1036 8.151,1037 12.523,1038 -1.477,1039 15.652,1040 -3.027,1041 9.518,1042 12.23,1043 0.001,1044 19.264,1045 9.429,1046 3.17,1047 -1.618,1048 17.486,1049 -3.809,1050 10.506,1051 13.604,1053 21.552,1054 10.416,1055 2.554,1056 10.93,1057 19.334,1058 -4.613,1059 11.702,1060 15.168,1062 23.976,1063 11.606,1064 2.195,1065 7.831,1066 21.191,1067 4.525,1068 12.779,1069 16.619,1071 26.323,1072 12.68,1073 1.754,1074 6.592,1075 23.056,1076 3.284,1077 13.942,1078 18.149,1080 28.726,1081 13.837,1082 1.419,1083 5.009,1084 24.928,1085 2.513,1086 15.059,1087 19.633,1089 31.099,1090 14.95,1091 1.224,1092 2.858,1093 26.805,1094 2.334,1095 16.212,1096 21.151,1098 33.495,1099 16.097,1100 0.831,1101 2.669,1102 28.686,1103 1.705,1104 17.347,1105 22.649,1107 35.878,1108 17.227,1109 2308,1110 3089,1111 13.118,1112 23.864,1113 28.131,1114 28.256,1115 28.833,1116 28.057,1117 28.088,1118 35.825,1119 0.8,1120 79.757,1121 27.516,1122 5.536,1123 5.309,1124 6.577,1125 5.166,1126 5.17,1127 7.525,1128 0.8,1129 18.139,1130 5.147,1131 5.167,1132 1.481,1133 1.487,1134 1.518,1135 1.477,1136 1.478,1137 1.886,1138 0.042,1139 4.198,1140 1.448,1141 4.15,1142 4.183,1143 4.104,1144 4.077,1145 4.968,1146 4.08,1147 3.765,1148 3.834,1149 3.647,1150 3.613,1151 4.408,1152 3.613,1153 3.573,1154 3.648,1155 3.405,1156 3.425,1157 4.229,1158 3.408,1159 3.302,1160 3.367,1161 3.159,1162 3.185,1163 3.975,1164 3.172,1165 3.044,1166 3.137,1167 2.848,1168 2.874,1169 3.715,1170 2.855,1171 2.988,1172 3.084,1173 2.795,1174 2.785,1175 3.545,1176 2.778,1177 2.739,1178 2.833,1179 2.495,1180 2.548,1181 3.285,1182 2.52,1183 2.372,1184 2.509,1185 2.151,1186 2.178,1187 2.999,1188 2.16,1189 0.242,1190 0.174,1191 0.353,1192 0.219,1193 0.167,1194 4.591,1195 0.238,1196 3.309,1197 0.021,1198 6.715,1199 0.575,1200 4.163,1201 0.166,1202 3.17,1203 4.525,1204 0.4,1205 10.93,1206 3.147,1207 2.026,1208 2.001,1209 2.136,1210 2.108,1211 1.458,1212 2.119,1213 1.676,1214 1.609,1215 1.925,1216 1.873,1217 1.16,1218 1.89,1219 1.537,1220 1.468,1221 1.76,1222 1.746,1223 0.993,1224 1.755,1225 1.462,1226 1.407,1227 1.649,1228 1.622,1229 0.776,1230 1.643,1231 1.178,1232 1.102,1233 1.479,1234 1.399,1235 0.637,1236 1.433,1237 0.945,1238 0.838,1239 1.344,1240 1.221,1241 0.495,1242 1.269,1243 0.852,1244 0.776,1245 1.131,1246 1.062,1247 0.319,1248 1.095,1249 0.654,1250 0.567,1251 1.022,1252 0.893,1253 0.145,1254 0.945,1255 3.664,1257 4.963,1258 2.398,1259 6.479,1260 4.595,1261 8.105,1262 6.605,1263 9.794,1265 2.23,1271 6.048,1272 3.659,1275 0.669,1280 21.784,1281 45.708,1282 118.692,1283 163.24,1284 175.995,1285 177.995,1286 177.995,1287 17.589,1288 6.583,1289 27.82,1290 27.82,1291 17,1292 12.14,1293 3.459,1294 2.585,1295 23.72,1296 43,1297 54,1298 0.282,1299 134.354,1300 220.62,1301 319.585,1302 5360,1304 11.665,1305 0.686,1306 0.613,1307 11.665,1308 10.422,1309 8.381,1310 0.441,1311 0.352,1312 6.655,1313 8.24,1314 6.48,1315 5.402,1316 8.381,1317 6.694,1318 7.177,1319 0.276,1320 0.194,1321 7.177,1322 5.036,1323 6.299,1324 0.175,1325 0.107,1326 6.299,1327 3.839,1328 5.413,1329 0.11,1330 0.06,1331 5.413,1332 2.917,1333 4.423,1334 0.071,1335 0.035,1336 4.423,1337 2.195,1338 0.423,1339 51.196,1340 0.276,1341 16.902,1342 0.826,1343 90,1344 166.666,1345 93.441,1346 169.625,1347 246.36,1348 162,1349 107,1350 191.38,1351 110.497,1352 196.873,1353 290.66,1354 188,1355 7.161} {0 CHEMBL306197,1 1.272,2 10.536,3 6.295,4 39.626,5 117.726,6 6.276,7 0.516,8 4.155,9 4.289,10 3.589,11 3.715,12 5.068,13 3.653,14 4.741,15 4.942,16 3.913,17 4.132,18 5.544,19 4.037,20 5.015,21 5.257,22 3.988,23 4.302,24 5.735,25 4.17,26 5.121,27 5.367,28 3.939,29 4.367,30 5.809,31 4.204,32 5.228,33 5.507,34 3.83,35 4.378,36 5.839,37 4.171,38 5.243,39 5.558,40 3.761,41 4.303,42 5.816,43 4.085,44 5.093,45 5.395,46 3.744,47 4.224,48 5.699,49 4.031,50 4.999,51 5.265,52 3.752,53 4.195,54 5.705,55 4.025,56 0.073,57 0.828,58 14.552,59 6.072,60 10.753,61 8.595,62 0.192,63 1.394,64 26.364,65 10.178,66 18.964,67 14.684,68 0.237,69 1.759,70 34.338,71 13.294,72 23.405,73 19.386,74 0.267,75 1.908,76 38.085,77 15.089,78 25.408,79 21.772,80 0.252,81 2.043,82 41.847,83 16.994,84 26.547,85 24.652,86 0.365,87 2.017,88 42.547,89 16.504,90 29.38,91 24.338,92 0.23,93 1.766,94 36.499,95 14.482,96 23.288,97 21.239,98 0.244,99 1.635,100 33.632,101 13.268,102 25.047,103 19.109,104 10,105 42,106 0.207,107 0.516,108 0.749,109 0.853,110 0.891,111 0.891,112 3.375,113 1.039,114 -5.62,115 -5.49,116 -5.12,119 41.7,120 1,121 6,124 1,125 2,127 1,140 7,141 4,142 1,149 1,150 1,169 15,172 6,176 3,178 17,182 7,186 2,189 16,193 5,197 2,199 13,203 3,208 1,211 12,214 1,215 3,218 1,220 1,222 12,226 1,233 14,237 3,242 2,244 17,249 3,254 2,256 15,259 1306,260 19.654,261 19.654,262 19.654,263 19.654,264 19.654,265 17.745,266 20.021,267 11.804,268 19.998,269 15.227,270 15.227,271 15.227,272 15.227,273 15.227,274 12.325,275 22.606,276 5.391,277 15.695,278 4.635,279 2.733,280 1.303,281 0.658,282 0.425,283 0.425,284 4.077,289 1,290 647,291 3.536,294 60.24,295 221.969,298 102.279,299 106.586,302 1.64,303 10.53,306 0.75,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.89,314 58,315 295,316 4.593,317 3.341,318 6.722,319 4.174,320 3.183,321 4.525,322 0.86,323 10.959,324 3.154,325 4.192,326 3.123,327 6.138,328 3.813,329 2.843,330 3.8,331 0.8,332 9.025,333 2.757,334 3.907,335 3.006,336 6.122,337 3.729,338 2.782,339 3.292,341 8.968,342 2.636,343 3.66,344 2.531,345 5.695,346 3.341,347 2.367,348 2.761,350 7.552,351 2.3,352 3.183,353 2.107,354 4.769,355 2.776,356 1.788,357 2.476,359 5.066,360 1.765,361 2.958,362 1.965,363 4.459,364 2.693,365 1.719,366 2.111,368 4.456,369 1.672,370 2.917,371 1.69,372 4.373,373 2.534,374 1.567,375 2.072,377 4.173,378 1.513,379 2.667,380 1.563,381 3.79,382 2.456,383 1.476,384 1.71,386 3.075,387 1.436,388 2.635,389 1.315,390 3.639,391 2.205,392 1.224,393 1.661,395 2.858,396 1.2,397 2.289,398 1.248,399 3.428,400 2.183,401 1.193,402 1.278,404 2.417,405 1.18,406 2.093,407 0.941,408 3.407,409 1.818,410 0.838,411 0.993,413 2.058,414 0.819,415 1.987,416 0.914,417 3.18,418 1.73,419 0.756,420 0.887,422 1.543,423 0.735,424 1.808,425 0.821,426 2.973,427 1.512,428 0.548,429 0.7,431 1.223,432 0.524,433 1.61,434 0.584,435 2.742,436 1.373,437 0.469,438 0.529,440 0.758,441 0.421,442 1.04,443 0.187,444 2.549,445 0.86,446 -0.1,447 -0.108,449 -0.191,450 -0.096,451 13.633,452 0.487,453 0.462,454 0.016,455 31.75,456 1.134,457 14.5,458 0.518,459 17.25,460 0.616,461 28.699,462 1.025,463 30.767,464 0.513,465 20.258,466 0.724,467 5.855,468 0.209,469 7.941,470 0.284,471 0.073,473 0.286,479 0.957,480 1.293,481 0.967,482 1.144,483 0.887,484 1.067,485 1.371,486 1.099,487 1.04,488 1,489 1.019,490 0.994,491 1.05,492 1.026,493 1.005,494 0.99,495 0.785,496 0.987,497 1.145,498 1.114,499 1.155,500 1.124,501 1.029,502 1.137,503 0.735,504 1.147,505 1.063,506 1.142,507 0.864,508 1.131,509 0.622,510 0.885,511 0.879,512 0.89,513 0.688,514 0.9,515 0.63,516 0.887,517 0.859,518 0.892,519 0.713,520 0.888,521 1.144,522 0.969,523 1.058,524 1.014,525 1.19,526 1.026,527 4,528 0.149,529 3.333,530 1.313,531 1.2,532 0.701,533 0.518,534 0.368,535 0.21,536 0.209,537 10230,538 19691,539 2.137,540 53.3,541 7,542 15,543 1,545 1,547 8,550 1.711,551 2.049,552 3.383,553 -0.465,559 76.317,560 1.272,561 3.174,562 4.604,563 5.248,564 5.482,565 5.482,566 2.74,567 4.593,568 4.782,569 3.587,570 1355.81,571 8.318,572 18241.3,577 354.413,578 1.198,579 4.76,580 0.129,581 0.007,582 0.079,583 0.03,584 0.03,585 0.021,586 0.016,587 0.011,588 0.006,589 0.007,590 0.337,591 0.5,592 0.88,593 0.887,594 141.014,595 0.045,596 -0.09,597 0.072,598 -0.02,599 0.11,600 0.02,601 -0.099,602 0.02,603 -0.003,604 0.037,605 0.005,606 0.025,607 -0.048,608 0.033,609 -0.002,610 0.013,611 0.063,612 0.012,613 -0.12,614 -0.086,615 -0.16,616 -0.118,617 -0.125,618 -0.138,619 -0.016,620 -0.185,621 -0.105,622 -0.15,623 -0.081,624 -0.138,625 0.13,626 0.049,627 0.077,628 0.055,629 0.072,630 0.059,631 0.041,632 0.066,633 0.096,634 0.075,635 0.032,636 0.089,637 -0.084,638 0.022,639 -0.068,640 -0.025,641 -0.139,642 -0.04,643 0.675,644 2.022,645 0.679,646 25.5,647 0.98,648 1.124,649 4.388,650 19.251,651 0.648,652 3.466,653 3.761,654 4.078,655 4.344,656 4.543,657 4.625,658 4.779,659 4.913,660 4.956,661 4.963,662 6.668,663 0.594,664 376.59,665 3.466,666 4.99,667 5.849,668 6.723,669 7.598,670 8.479,671 9.362,672 10.247,673 11.134,674 12.022,675 3.3,678 1,683 1,687 2,688 8,690 1,693 4,695 16,712 1,714 60,716 16,717 2,718 31,720 63,721 25,722 14,723 6,724 6,730 4,731 7,736 1,740 4,743 7,745 14,746 11,764 32,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 2,827 28,833 8,835 1,837 1,838 1,847 1.7,852 1,854 13.667,855 11.117,856 6.389,857 4.051,858 2.999,859 1.391,860 0.989,861 6.26,862 10.672,863 3.689,864 4.259,865 4.867,866 5.438,867 5.902,868 6.151,869 6.485,870 6.813,871 6.81,872 6.972,873 0.857,874 44,875 10.392,877 4.302,878 7.333,879 20.991,881 17.69,883 1.833,884 51.333,888 364.904,889 134.025,890 19.91,892 11,895 134.025,896 375.904,897 19.91,898 19.708,899 19.419,900 75.381,902 48.283,903 13.915,904 353.133,906 364.904,907 153.935,908 11,911 270.735,912 105.169,915 48.154,916 105.781,919 364.904,920 30.91,921 134.025,924 364.904,925 38.936,926 98.214,927 16.786,928 11,929 364.904,930 30.91,931 134.025,933 0.564,934 0.347,935 0.197,936 0.101,937 20,938 8,939 0.127,940 8,941 2,942 1.211,943 4.033,944 241.981,945 0.211,946 19,947 134.606,951 19.384,952 9.043,953 4.25,954 2.699,955 14.124,956 17.326,958 3.377,961 5.463,963 16.786,964 529.839,965 39,975 58.785,976 67.434,977 0.215,978 0.537,979 0.779,980 0.889,981 0.928,982 0.928,983 4.913,984 1.476,985 5.808,986 4.173,987 4.443,988 4.945,989 1.235,990 6.619,991 4.389,992 6.084,993 1.224,994 7.361,995 3.075,996 3.892,997 4.677,998 0.325,999 7.535,1000 3.806,1001 7.379,1002 1.193,1003 9.019,1004 2.858,1005 6.023,1006 7.144,1007 0.938,1008 10.649,1009 5.922,1010 8.716,1011 0.838,1012 10.743,1013 2.417,1014 6.382,1015 7.818,1016 0.268,1017 12.425,1018 6.249,1019 10.092,1020 0.756,1021 12.508,1022 2.058,1023 7.906,1024 9.703,1025 0.732,1026 15.031,1027 7.764,1028 11.495,1029 0.548,1030 14.302,1031 1.543,1032 8.679,1033 10.81,1034 0.188,1035 17.141,1036 8.513,1037 12.919,1038 0.469,1039 16.114,1040 1.223,1041 9.959,1042 12.465,1043 0.57,1044 19.584,1045 9.786,1046 3.183,1047 -0.1,1048 17.939,1049 0.758,1050 10.924,1051 13.777,1052 0.125,1053 21.835,1054 10.734,1055 2.843,1056 10.959,1057 19.775,1058 -0.191,1059 12.106,1060 15.338,1061 0.438,1062 24.226,1063 11.91,1064 2.782,1065 9.025,1066 21.619,1067 4.525,1068 13.159,1069 16.748,1070 0.082,1071 26.543,1072 12.951,1073 2.367,1074 8.968,1075 23.469,1076 3.8,1077 14.305,1078 18.271,1079 0.334,1080 28.92,1081 14.091,1082 1.788,1083 7.552,1084 25.324,1085 3.292,1086 15.399,1087 19.729,1088 0.054,1089 31.269,1090 15.178,1091 1.719,1092 5.066,1093 27.184,1094 2.761,1095 16.534,1096 21.237,1097 0.252,1098 33.646,1099 16.308,1100 1.567,1101 4.456,1102 29.048,1103 2.476,1104 17.649,1105 22.719,1106 0.035,1107 36.013,1108 17.418,1109 9662,1110 13493,1111 21.266,1112 38.887,1113 45.772,1114 45.872,1115 47.006,1116 45.484,1117 45.506,1118 57.592,1119 3.32,1120 128.265,1121 44.228,1122 5.54,1123 5.341,1124 6.492,1125 5.2,1126 5.183,1127 7.525,1128 1.72,1129 18.173,1130 5.154,1131 10.02,1132 1.477,1133 1.48,1134 1.516,1135 1.467,1136 1.468,1137 1.858,1138 0.107,1139 4.138,1140 1.427,1141 4.155,1142 4.188,1143 4.107,1144 4.081,1145 4.97,1146 4.083,1147 3.942,1148 3.972,1149 3.873,1150 3.868,1151 4.857,1152 3.865,1153 3.795,1154 3.855,1155 3.688,1156 3.644,1157 4.395,1158 3.646,1159 3.594,1160 3.662,1161 3.453,1162 3.456,1163 4.378,1164 3.445,1165 3.47,1166 3.546,1167 3.272,1168 3.331,1169 4.222,1170 3.306,1171 3.286,1172 3.347,1173 3.147,1174 3.177,1175 3.996,1176 3.163,1177 3.249,1178 3.315,1179 3.063,1180 2.97,1181 3.924,1182 2.979,1183 3.053,1184 3.143,1185 2.863,1186 2.879,1187 3.683,1188 2.859,1189 0.148,1190 0.108,1191 0.217,1192 0.135,1193 0.103,1194 4.593,1195 0.146,1196 3.341,1197 0.028,1198 6.722,1199 0.354,1200 4.174,1201 0.102,1202 3.183,1203 4.525,1204 0.86,1205 10.959,1206 3.154,1207 2.029,1208 2.004,1209 2.141,1210 2.115,1211 1.478,1212 2.126,1213 1.919,1214 1.895,1215 2.048,1216 2.017,1217 1.3,1218 2.027,1219 1.719,1220 1.658,1221 1.936,1222 1.9,1223 1.167,1224 1.912,1225 1.537,1226 1.469,1227 1.798,1228 1.746,1229 1.008,1230 1.758,1231 1.497,1232 1.428,1233 1.735,1234 1.687,1235 0.961,1236 1.717,1237 1.456,1238 1.402,1239 1.648,1240 1.605,1241 0.776,1242 1.63,1243 1.197,1244 1.125,1245 1.573,1246 1.512,1247 0.644,1248 1.532,1249 1.175,1250 1.101,1251 1.471,1252 1.383,1253 0.574,1254 1.419,1255 4.143,1257 5.442,1258 2.398,1259 6.954,1260 4.595,1261 8.567,1262 6.605,1263 10.234,1265 4.067,1271 9.481,1273 5.522,1275 0.658,1276 2.74,1280 35.66,1281 76.317,1282 190.455,1283 276.233,1284 314.904,1285 328.904,1286 328.904,1287 36.762,1288 7.673,1289 28.26,1290 28.26,1291 23,1292 12.553,1293 4.087,1294 3.17,1295 42.427,1296 110,1297 104,1298 0.181,1299 218.098,1300 371.23,1301 523.92,1302 23896,1304 19.347,1305 0.691,1306 0.615,1307 19.347,1308 17.208,1309 13.796,1310 0.445,1311 0.346,1312 10.646,1313 13.471,1314 10.336,1315 8.611,1316 13.796,1317 10.736,1318 11.622,1319 0.277,1320 0.19,1321 11.622,1322 7.99,1323 10.332,1324 0.178,1325 0.108,1326 10.332,1327 6.241,1328 8.86,1329 0.117,1330 0.064,1331 8.86,1332 4.834,1333 6.972,1334 0.075,1335 0.038,1336 6.972,1337 3.496,1338 0.286,1339 84.923,1340 0.217,1341 26.795,1342 0.494,1343 146,1344 305.714,1345 153.014,1346 301.648,1347 429.92,1348 288,1349 173,1350 324.982,1351 180.653,1352 334.058,1353 489.24,1354 316,1355 8.602} {0 CHEMBL306699,1 1.097,2 6.938,3 4.062,4 16.497,5 72.809,6 5.351,7 0.375,8 3.714,9 3.874,10 2.968,11 3.244,12 4.586,13 3.137,14 4.288,15 4.542,16 3.298,17 3.637,18 5.005,19 3.504,20 4.499,21 4.717,22 3.381,23 3.868,24 5.283,25 3.697,26 4.778,27 5.076,28 3.296,29 3.926,30 5.414,31 3.696,32 4.715,33 5.018,34 3.181,35 3.818,36 5.353,37 3.58,38 4.625,39 4.936,40 2.781,41 3.65,42 5.267,43 3.369,44 4.574,45 4.96,46 2.282,47 3.37,48 4.998,49 2.999,50 4.105,51 4.501,52 2.001,53 2.845,54 4.525,55 2.501,56 0.051,57 0.541,58 10.173,59 4.265,60 7.876,61 6.228,62 0.09,63 0.848,64 16.49,65 6.819,66 11.383,67 9.997,68 0.094,69 1.07,70 20.684,71 9.094,72 16.518,73 13.045,74 0.114,75 1.226,76 24.647,77 10.729,78 19.122,79 15.45,80 0.117,81 1.138,82 23.047,83 9.612,84 19.593,85 14.066,86 0.126,87 1.009,88 20.819,89 8.206,90 19.706,91 12.25,92 0.086,93 0.807,94 17.347,95 7.373,96 13.701,97 10.709,98 0.065,99 0.498,100 10.802,101 4.143,102 9.105,103 6.262,104 43,105 23,106 0.201,107 0.459,108 0.688,109 0.688,110 0.688,111 0.688,112 2.853,113 1.146,114 -5.14,115 -5.03,116 -4.71,119 36.6,120 5,121 1,123 1,124 1,125 1,140 2,141 4,169 13,176 1,178 20,186 1,189 19,197 2,199 13,208 4,211 10,220 1,222 3,231 1,242 3,259 216,260 9.894,261 9.894,262 9.894,263 9.894,264 9.894,265 9.104,266 14.328,267 5.814,268 9.985,269 7.835,270 7.835,271 7.835,272 7.835,273 7.835,274 6.614,275 15.66,276 2.69,277 7.929,278 4.261,279 2.85,280 1.599,281 1.599,282 1.599,283 1.599,284 3.462,288 1,289 1,290 212,291 3.317,295 55.668,302 1.313,303 5.38,305 1,306 1,307 1,308 1,309 0.9,310 1,311 1,312 1,313 0.99,314 32.5,315 111,316 4.535,317 3.567,318 7.128,319 4.345,320 3.345,321 4.137,322 0.4,323 11.756,324 3.345,325 4.15,326 3.127,327 6.378,328 3.899,329 2.899,330 3.403,332 9.595,333 2.898,334 3.232,335 2.147,336 4.879,337 2.879,338 1.879,339 2.481,341 5.225,342 1.879,343 2.964,344 1.932,345 4.685,346 2.701,347 1.716,348 2.072,350 4.945,351 1.692,352 2.509,353 1.582,354 3.712,355 2.369,356 1.411,357 1.509,359 2.911,360 1.348,361 1.704,362 1.062,363 3.106,364 1.591,365 0.624,366 0.655,368 1.213,369 0.602,370 1,371 0.094,372 2.653,373 0.794,374 -0.176,375 -0.189,377 -0.301,378 -0.17,379 0.949,380 -0.11,381 2.535,382 0.653,383 -0.347,384 -0.445,386 -0.898,387 -0.347,388 0.188,389 -0.614,390 2,392 -1,393 -1,395 -2.204,396 -1,398 -0.824,399 2,401 -1,402 -1,404 -2.763,405 -1,407 -1,408 2,410 -1,411 -1.131,413 -3,414 -1,415 -0.07,416 -1,417 1.468,418 -0.212,419 -1.157,420 -1.249,422 -3,423 -1.089,424 -0.232,425 -1.357,426 1.229,427 -0.532,428 -1.532,429 -1.899,431 -4.493,432 -1.532,433 -0.5,434 -1.44,435 1.086,436 -0.774,437 -1.762,438 -2.036,440 -5.098,441 -1.742,442 -0.633,443 -1.646,444 1,445 -0.913,446 -1.899,447 -2.308,449 -6.834,450 -1.882,451 7.9,452 0.494,453 0.642,454 0.04,455 14.5,456 0.906,457 6,458 0.375,459 8.5,460 0.531,461 17.481,462 1.093,463 19.1,464 0.466,465 7.869,466 0.492,467 2.548,468 0.159,469 4.811,470 0.301,471 0.38,472 0.063,473 0.253,479 1.266,480 1.375,481 1.241,482 1.295,483 1.609,484 1.272,485 1.365,486 0.797,487 0.906,488 0.801,489 0.736,490 0.828,491 0.994,492 1.323,493 1.328,494 1.369,495 1.281,496 1.364,497 0.613,498 1.082,499 1.016,500 1.096,501 0.962,502 1.077,503 0.755,504 1.171,505 1.035,506 1.129,507 0.768,508 1.101,509 1.634,510 1.168,511 1.311,512 1.208,513 1.532,514 1.239,515 0.424,516 0.764,517 0.724,518 0.779,519 0.726,520 0.767,521 0.626,522 0.769,523 0.587,524 0.66,525 0.411,526 0.628,527 5,529 2.444,530 1.5,531 1.324,532 0.556,533 0.183,534 0.122,535 0.074,537 1522,538 2339,539 1.782,540 61,541 15,542 7,545 1,547 2,550 1.554,551 1.587,552 2.747,553 -0.413,555 1,559 44.96,560 1.097,561 2.507,562 3.759,563 3.759,564 3.759,565 3.759,566 2.227,567 2.983,568 3.964,569 2.899,570 347.924,571 6.695,572 2972.56,574 1,576 1,577 219.66,578 1.805,579 3.843,580 0.313,582 0.106,583 0.065,584 0.066,585 0.033,586 0.02,587 0.024,588 0.019,590 0.646,591 0.67,592 1,593 1.656,594 63.874,595 0.011,596 -0.04,597 0.004,598 -0.016,599 -0.307,600 -0.008,601 -0.047,602 0.347,603 0.199,604 0.294,605 0.244,606 0.264,607 -0.162,608 -0.142,609 -0.21,610 -0.188,611 -0.209,612 -0.199,613 0.028,614 -0.093,615 -0.039,616 -0.071,617 -0.062,618 -0.06,619 0.071,620 -0.191,621 -0.058,622 -0.131,623 0.145,624 -0.106,625 -0.3,626 -0.177,627 -0.319,628 -0.261,629 -0.367,630 -0.286,631 0.124,632 0.013,633 0.098,634 0.058,635 0.04,636 0.074,637 0.299,638 -0.005,639 0.239,640 0.127,641 0.36,642 0.171,643 1.003,644 0.715,645 0.375,646 10.5,647 0.968,648 1.134,649 3.909,650 15.283,651 0.613,652 2.833,653 3.178,654 3.296,655 3.434,656 3.611,657 3.526,658 3.367,659 2.708,660 2.398,661 1.099,662 4.211,663 0.545,664 219.41,665 2.833,666 4.369,667 5.176,668 6.061,669 6.905,670 7.79,671 8.648,672 9.532,673 10.396,674 11.278,675 2.4,677 1,688 2,693 4,695 6,714 41,716 6,717 1,718 16,720 41,721 15,722 6,723 4,724 2,730 1,731 1,736 5,737 1,743 1,745 6,746 9,761 1,764 25,765 1,766 1,767 1,773 1,777 1,793 1,814 1,819 1,823 6,827 16,833 2,834 1,839 1,854 10.083,855 9.167,856 3.556,857 2.521,858 1.225,859 1.224,860 0.889,861 4.147,862 6.684,863 2.996,864 3.57,865 4.03,866 4.501,867 4.975,868 5.067,869 5.019,870 4.227,871 3.944,872 2.784,873 0.8,874 23,875 5.927,877 2.264,878 7.339,879 11.915,881 9.339,883 1.839,884 29.417,885 0.008,888 282.506,889 88.857,890 18.011,895 88.857,896 282.506,897 18.011,898 52.522,899 4.64,900 36.963,902 12.742,904 282.506,906 282.506,907 106.868,911 258.964,912 23.542,915 66.777,916 40.091,919 282.506,920 18.011,921 88.857,924 282.506,925 17.383,926 71.475,927 18.011,929 282.506,930 18.011,931 88.857,933 0.59,934 0.319,935 0.153,936 0.093,937 10,938 6,939 0.098,940 4,942 1,943 2.612,944 99.908,946 6,947 53.245,951 13.248,952 5.008,953 3.338,955 18.011,956 4.69,961 5.804,963 18.011,964 389.375,965 19,975 39.705,976 46.481,977 0.205,978 0.468,979 0.702,980 0.702,981 0.702,982 0.702,983 4.256,984 -0.347,985 5.263,986 -0.301,987 3.85,988 4.248,989 0.278,990 6.146,991 3.838,992 5.51,993 -1,994 6.897,995 -0.898,996 3.892,997 4.369,999 7.506,1000 3.892,1001 6.864,1002 -1,1003 8.651,1004 -2.204,1005 5.602,1006 6.454,1007 0.05,1008 10.463,1009 5.593,1010 8.255,1011 -1,1012 10.472,1013 -2.763,1014 6.365,1015 7.268,1017 12.523,1018 6.365,1019 9.674,1020 -1.157,1021 12.332,1022 -3,1023 7.71,1024 8.974,1025 0.008,1026 15.126,1027 7.705,1028 11.113,1029 -1.532,1030 14.217,1031 -3,1032 8.74,1033 10.085,1035 17.426,1036 8.739,1037 12.565,1038 -1.762,1039 16.119,1040 -4.493,1041 9.973,1042 11.638,1043 0.001,1044 19.923,1045 9.971,1046 3.345,1047 -1.899,1048 18.032,1049 -5.098,1050 11.101,1051 12.893,1053 22.313,1054 11.1,1055 2.899,1056 11.756,1057 19.954,1058 -6.834,1059 12.301,1060 14.376,1062 24.777,1063 12.299,1064 1.879,1065 9.595,1066 21.882,1067 4.137,1068 13.466,1069 15.704,1071 27.204,1072 13.465,1073 1.716,1074 5.225,1075 23.816,1076 3.403,1077 14.658,1078 17.153,1080 29.659,1081 14.657,1082 1.411,1083 4.945,1084 25.753,1085 2.481,1086 15.839,1087 18.521,1089 32.103,1090 15.838,1091 0.624,1092 2.911,1093 27.694,1094 2.072,1095 17.031,1096 19.953,1098 34.559,1099 17.03,1100 -0.176,1101 1.213,1102 29.637,1103 1.509,1104 18.22,1105 21.343,1107 37.011,1108 18.22,1109 1742,1110 2196,1111 9.246,1112 25.143,1113 23.938,1114 24.192,1115 25.277,1116 23.717,1117 23.749,1118 28.515,1119 0.8,1120 71.289,1121 23.527,1122 5.332,1123 5.567,1124 6.987,1125 5.345,1126 5.345,1127 7.137,1128 0.8,1129 18.81,1130 5.345,1131 10.99,1132 1.496,1133 1.512,1134 1.58,1135 1.482,1136 1.484,1137 1.782,1138 0.05,1139 4.456,1140 1.47,1141 4.018,1142 4.047,1143 3.954,1144 3.971,1145 4.727,1146 3.963,1147 3.664,1148 3.732,1149 3.52,1150 3.549,1151 4.334,1152 3.534,1153 3.505,1154 3.596,1155 3.326,1156 3.293,1157 4.227,1158 3.288,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 3.966,1164 3.101,1165 3.084,1166 3.189,1167 2.839,1168 2.88,1169 3.665,1170 2.857,1171 2.935,1172 3.038,1173 2.659,1174 2.745,1175 3.555,1176 2.709,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.283,1190 0.223,1191 0.445,1192 0.272,1193 0.209,1194 4.535,1195 0.259,1196 3.567,1197 0.025,1198 7.128,1199 0.735,1200 4.345,1201 0.209,1202 3.345,1203 4.137,1204 0.4,1205 11.756,1206 3.345,1207 2.006,1208 1.981,1209 2.127,1210 2.078,1211 1.363,1212 2.096,1213 1.681,1214 1.623,1215 1.925,1216 1.851,1217 1.159,1218 1.879,1219 1.485,1220 1.396,1221 1.778,1222 1.73,1223 0.919,1224 1.754,1225 1.303,1226 1.226,1227 1.639,1228 1.507,1229 0.719,1230 1.557,1231 1.116,1232 1.014,1233 1.511,1234 1.37,1235 0.611,1236 1.425,1237 0.977,1238 0.879,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.352,1252 1.213,1253 0.433,1254 1.267,1255 3.497,1257 4.828,1259 6.351,1261 7.967,1263 9.634,1265 13.284,1271 2.176,1272 3.215,1277 0.247,1280 22.343,1281 44.96,1282 102.797,1283 154.111,1284 154.111,1285 154.111,1286 154.111,1287 26.783,1288 5.46,1289 12.03,1290 12.03,1291 6,1292 11.816,1293 2.807,1294 2,1295 34.422,1296 42,1297 44,1298 0.464,1299 145.274,1300 247.88,1301 346.229,1302 1056,1304 12.345,1305 0.772,1306 0.723,1307 12.345,1308 11.569,1309 7.358,1310 0.46,1311 0.382,1312 6.083,1313 7.267,1314 5.573,1315 4.851,1316 7.358,1317 6.112,1318 7.295,1319 0.317,1320 0.247,1321 7.295,1322 5.692,1323 4.89,1324 0.188,1325 0.123,1326 4.89,1327 3.187,1328 3.62,1329 0.121,1330 0.069,1331 3.62,1332 2.071,1333 2.883,1334 0.08,1335 0.041,1336 2.883,1337 1.47,1338 0.69,1339 44.754,1340 0.329,1341 15.966,1342 1.377,1343 78,1344 130.333,1345 79.055,1346 137.286,1347 190.82,1348 128,1349 88,1350 140.845,1351 88.999,1352 154.1,1353 216.12,1354 140,1355 5.301} {0 CHEMBL306869,1 1.298,2 7.955,3 5.365,4 28.78,5 99.473,6 6.331,7 0.417,8 3.96,9 4.102,10 3.451,11 3.554,12 4.798,13 3.449,14 4.562,15 4.779,16 3.765,17 3.973,18 5.278,19 3.833,20 4.819,21 5.07,22 3.893,23 4.137,24 5.486,25 3.979,26 4.925,27 5.175,28 3.889,29 4.233,30 5.573,31 4.05,32 5.049,33 5.323,34 3.811,35 4.271,36 5.646,37 4.041,38 5.066,39 5.37,40 3.655,41 4.182,42 5.64,43 3.929,44 4.94,45 5.262,46 3.445,47 4.017,48 5.494,49 3.75,50 4.681,51 4.99,52 3.271,53 3.802,54 5.276,55 3.533,56 0.067,57 0.718,58 13.279,59 5.364,60 7.75,61 7.503,62 0.149,63 1.217,64 25.368,65 9.381,66 12.493,67 12.952,68 0.202,69 1.5,70 31.32,71 11.401,72 16.746,73 16.308,74 0.195,75 1.64,76 34.026,77 13.244,78 17.047,79 18.543,80 0.201,81 1.776,82 39.355,83 15.491,84 18.755,85 21.109,86 0.247,87 1.733,88 40.173,89 15.212,90 21.982,91 20.892,92 0.183,93 1.477,94 34.16,95 13.266,96 19.51,97 18.215,98 0.162,99 1.179,100 28.571,101 10.546,102 16.324,103 14.06,104 24,105 33,106 0.222,107 0.523,108 0.763,109 0.802,110 0.802,111 0.802,112 3.148,113 1.238,114 -5.4,115 -5.28,116 -4.93,119 38,120 2,121 5,124 1,125 2,127 1,140 2,141 3,142 1,149 1,150 1,169 9,172 4,176 2,178 11,182 4,186 3,189 9,193 2,197 2,199 11,203 1,208 1,211 12,215 2,218 1,220 1,222 10,233 6,242 2,244 6,254 2,256 4,259 602,260 15.386,261 15.386,262 15.386,263 15.386,264 15.386,265 14.236,266 15.884,267 9.213,268 15.83,269 11.722,270 11.722,271 11.722,272 11.722,273 11.722,274 9.862,275 17.71,276 4.082,277 12.295,278 4.346,279 2.591,280 1.195,281 0.965,282 0.965,283 0.965,284 3.83,288 1,289 1,290 369,291 3.317,294 40.473,295 85.808,298 68.667,299 73.354,302 1.149,303 6.567,306 0.75,307 1,308 1,309 1,310 1,311 1,312 1,313 0.96,314 45,315 175,316 4.683,317 4.365,318 6.919,319 4.246,320 3.266,321 4.639,322 2.95,323 11.66,324 3.203,325 3.958,326 3.315,327 6.165,328 3.772,329 2.827,330 3.355,331 0.8,332 9.131,333 2.672,334 3.691,335 3.005,336 5.828,337 3.42,338 2.459,339 2.807,341 7.946,342 2.355,343 3.386,344 2.625,345 5.112,346 2.918,347 1.981,348 2.708,350 5.898,351 1.854,352 2.918,353 2.209,354 4.648,355 2.617,356 1.65,357 2.05,359 4.678,360 1.588,361 2.673,362 1.948,363 4.408,364 2.554,365 1.584,366 1.68,368 4.221,369 1.52,370 2.285,371 1.689,372 3.701,373 2.237,374 1.247,375 1.247,377 2.165,378 1.233,379 2.247,380 1.298,381 3.315,382 1.837,383 0.887,384 1.205,386 2.117,387 0.835,388 2,389 1.029,390 3.247,391 1.792,392 0.834,393 0.946,395 1.91,396 0.796,397 1.662,398 0.912,399 2.867,400 1.594,401 0.629,402 0.645,404 0.998,405 0.602,406 1.502,407 0.739,408 2.695,409 1.141,410 0.314,411 0.364,413 0.488,414 0.255,415 0.892,416 0.309,417 2.523,418 0.636,419 -0.349,420 -0.401,422 -0.632,423 -0.343,424 0.684,425 -0.195,426 2.252,427 0.521,428 -0.445,429 -0.445,431 -0.832,432 -0.428,433 0.555,434 -0.287,435 2.163,436 0.346,437 -0.605,438 -0.708,440 -1.477,441 -0.557,442 0.288,443 -0.582,444 2,445 0.039,446 -0.944,447 -1.054,449 -1.874,450 -0.918,451 11.133,452 0.506,453 0.393,454 0.018,455 21.75,456 0.989,457 8.5,458 0.386,459 13.25,460 0.602,461 25.116,462 1.142,463 24.867,464 0.497,465 11.267,466 0.512,467 3.318,468 0.151,469 7.461,470 0.339,471 0.135,473 0.305,479 1.081,480 1.294,481 0.918,482 1.052,483 1.139,484 1.091,485 1.379,486 1.112,487 1.093,488 1.036,489 0.879,490 0.984,491 1.257,492 0.99,493 0.866,494 0.88,495 0.798,496 0.917,497 1.168,498 1.038,499 0.942,500 0.973,501 0.932,502 1.056,503 0.886,504 1.095,505 1.024,506 1.081,507 0.966,508 1.11,509 0.733,510 1.001,511 0.963,512 1.022,513 0.903,514 1.012,515 0.776,516 0.876,517 0.831,518 0.871,519 0.96,520 0.911,521 1.109,522 0.927,523 1.121,524 1.021,525 1.126,526 0.978,527 3.5,529 2.667,530 1.41,531 1.223,532 0.722,533 0.517,534 0.314,535 0.177,536 0.121,537 4315,538 7555,539 2.07,540 56,541 8,542 10,543 1,545 1,547 8,550 1.652,551 1.941,552 3.013,553 -0.399,559 64.876,560 1.298,561 3.053,562 4.448,563 4.679,564 4.679,565 4.679,566 2.431,567 3.914,568 4.429,569 3.128,570 722.647,571 7.644,572 7766.53,577 282.193,578 1.395,579 4.392,580 0.146,582 0.081,583 0.039,584 0.035,585 0.024,586 0.021,587 0.016,588 0.011,589 0.012,590 0.384,591 0.5,592 1,593 1.504,594 99.107,595 0.076,596 -0.073,597 0.089,598 0.032,599 0.011,600 0.029,601 -0.043,602 0.022,603 -0.002,604 0.027,605 0.083,606 0.058,607 -0.001,608 0.069,609 0.077,610 0.079,611 0.116,612 0.08,613 -0.105,614 0.001,615 -0.034,616 -0.014,617 -0.043,618 -0.051,619 -0.043,620 -0.113,621 -0.071,622 -0.097,623 -0.076,624 -0.114,625 0.115,626 -0.068,627 -0.022,628 -0.067,629 0.016,630 -0.049,631 0.02,632 0.019,633 0.044,634 0.039,635 -0.022,636 0.033,637 -0.097,638 0.028,639 -0.054,640 -0.011,641 -0.066,642 -0.017,643 0.609,644 0.949,645 0.591,646 15.636,647 0.975,648 1.126,649 4.169,650 17.378,651 0.651,652 3.219,653 3.526,654 3.871,655 4.19,656 4.431,657 4.554,658 4.71,659 4.86,660 4.883,661 4.796,662 4.969,663 0.582,664 316.56,665 3.219,666 4.745,667 5.617,668 6.512,669 7.41,670 8.317,671 9.225,672 10.136,673 11.048,674 11.962,675 4,678 1,683 1,687 2,688 3,690 1,693 3,695 10,714 50,716 10,717 1,718 24,720 52,721 19,722 8,723 4,724 2,730 3,731 6,736 2,740 4,743 6,745 8,746 11,764 28,765 1,766 1,767 3,768 1,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,820 1,821 1,823 3,827 22,833 7,836 1,837 1,838 1,854 11.333,855 9.7,856 5.139,857 3.565,858 2.127,859 1.3,860 0.974,861 5.274,862 9.224,863 3.401,864 3.975,865 4.624,866 5.261,867 5.771,868 6.141,869 6.528,870 6.914,871 6.975,872 7.06,873 1,874 36,875 8.193,877 3.356,878 7.25,879 16.775,881 14.175,883 1.75,884 38.5,885 0.002,888 317.82,889 114.583,890 19.91,894 32.22,895 82.364,896 317.82,897 19.91,898 24.841,899 16.884,900 28,902 30.405,903 13.915,904 338.268,906 317.82,907 102.274,909 32.22,911 223.651,912 94.169,915 54.444,916 47.829,918 32.22,919 317.82,920 19.91,921 114.583,924 317.82,925 61.743,926 55.965,927 16.786,929 317.82,930 19.91,931 114.583,933 0.558,934 0.35,935 0.211,936 0.118,937 16,938 7,939 0.115,940 6,941 2,942 1.308,943 3.325,944 177.038,945 0.308,946 13,947 92.107,948 1,951 16.104,952 7.204,953 3.156,954 2.795,955 3.124,956 6.789,958 3.449,961 4.591,963 16.786,964 452.313,965 29,975 48.767,976 56.314,977 0.23,978 0.541,979 0.788,980 0.829,981 0.829,982 0.829,983 4.64,984 0.887,985 5.595,986 2.165,987 4.205,988 4.659,989 2.963,990 6.454,991 4.125,992 5.819,993 0.834,994 7.177,995 2.117,996 3.761,997 4.543,998 0.325,999 7.469,1000 3.647,1001 7.133,1002 0.629,1003 8.866,1004 1.91,1005 5.826,1006 6.906,1007 5.03,1008 10.612,1009 5.684,1010 8.492,1011 0.314,1012 10.618,1013 0.998,1014 6.275,1015 7.73,1016 0.268,1017 12.484,1018 6.102,1019 9.893,1020 -0.349,1021 12.412,1022 0.488,1023 7.769,1024 9.561,1025 7.185,1026 15.144,1027 7.578,1028 11.322,1029 -0.445,1030 14.233,1031 -0.632,1032 8.618,1033 10.794,1034 0.188,1035 17.356,1036 8.404,1037 12.774,1038 -0.605,1039 16.074,1040 -0.832,1041 9.896,1042 12.436,1043 9.348,1044 19.865,1045 9.667,1046 3.266,1047 -0.944,1048 17.93,1049 -1.477,1050 10.924,1051 13.845,1052 0.125,1053 22.217,1054 10.675,1055 2.827,1056 11.66,1057 19.798,1058 -1.874,1059 12.124,1060 15.418,1061 11.511,1062 24.68,1063 11.861,1064 2.459,1065 9.131,1066 21.675,1067 4.639,1068 13.23,1069 16.9,1070 0.082,1071 27.089,1072 12.95,1073 1.981,1074 7.946,1075 23.56,1076 3.355,1077 14.404,1078 18.448,1079 13.675,1080 29.541,1081 14.111,1082 1.65,1083 5.898,1084 25.452,1085 2.807,1086 15.545,1087 19.961,1088 0.054,1089 31.974,1090 15.237,1091 1.584,1092 4.678,1093 27.349,1094 2.708,1095 16.714,1096 21.499,1097 15.838,1098 34.425,1099 16.391,1100 1.247,1101 4.221,1102 29.251,1103 2.05,1104 17.872,1105 23.025,1106 0.035,1107 36.87,1108 17.534,1109 4344,1110 5879,1111 16.008,1112 32.557,1113 35.426,1114 38.515,1115 37.418,1116 35.264,1117 35.357,1118 43.292,1119 7.5,1120 102.423,1121 33.827,1122 5.629,1123 6.365,1124 6.721,1125 5.265,1126 5.266,1127 7.639,1128 5.9,1129 18.941,1130 5.203,1131 10.309,1132 1.476,1133 1.605,1134 1.559,1135 1.469,1136 1.473,1137 1.804,1138 0.313,1139 4.268,1140 1.409,1141 4.155,1142 4.184,1143 4.18,1144 4.096,1145 4.945,1146 4.091,1147 3.816,1148 3.883,1149 3.766,1150 3.67,1151 4.387,1152 3.664,1153 3.61,1154 3.674,1155 3.599,1156 3.492,1157 4.24,1158 3.468,1159 3.501,1160 3.586,1161 3.393,1162 3.348,1163 4.04,1164 3.32,1165 3.319,1166 3.373,1167 3.279,1168 3.265,1169 3.976,1170 3.206,1171 3.161,1172 3.249,1173 3.092,1174 3.034,1175 3.848,1176 2.966,1177 3.04,1178 3.133,1179 2.846,1180 2.866,1181 3.616,1182 2.85,1183 2.999,1184 3.096,1185 2.783,1186 2.796,1187 3.532,1188 2.775,1189 0.195,1190 0.182,1191 0.288,1192 0.177,1193 0.136,1194 4.683,1195 0.193,1196 4.365,1197 0.123,1198 6.919,1199 0.486,1200 4.246,1201 0.133,1202 3.266,1203 4.639,1204 2.95,1205 11.66,1206 3.203,1207 2.028,1208 2.005,1209 2.136,1210 2.112,1211 1.478,1212 2.123,1213 1.739,1214 1.674,1215 1.964,1216 1.924,1217 1.232,1218 1.939,1219 1.539,1220 1.48,1221 1.861,1222 1.741,1223 1.09,1224 1.785,1225 1.539,1226 1.459,1227 1.751,1228 1.738,1229 0.999,1230 1.749,1231 1.492,1232 1.456,1233 1.601,1234 1.598,1235 0.798,1236 1.644,1237 1.178,1238 1.101,1239 1.484,1240 1.405,1241 0.726,1242 1.449,1243 1.129,1244 1.043,1245 1.474,1246 1.355,1247 0.572,1248 1.412,1249 0.987,1250 0.883,1251 1.366,1252 1.246,1253 0.511,1254 1.294,1255 3.892,1257 5.198,1258 2.398,1259 6.727,1260 4.727,1261 8.367,1262 6.843,1263 10.066,1265 6.786,1271 8.773,1274 1.863,1275 0.725,1276 2.729,1280 29.078,1281 64.876,1282 152.644,1283 222.418,1284 233.928,1285 233.928,1286 233.928,1287 28.112,1288 7.098,1289 19.03,1290 44.33,1291 17,1292 12.475,1293 3.459,1294 2.585,1295 34.227,1296 65,1297 66,1298 0.268,1299 183.855,1300 308.33,1301 440.365,1302 9950,1304 15.527,1305 0.706,1306 0.679,1307 15.88,1308 14.931,1309 10.779,1310 0.449,1311 0.413,1312 8.738,1313 10.111,1314 8.292,1315 6.964,1316 11.336,1317 9.904,1318 8.995,1319 0.273,1320 0.22,1321 9.461,1322 7.264,1323 7.998,1324 0.17,1325 0.122,1326 8.499,1327 5.721,1328 7.056,1329 0.109,1330 0.07,1331 7.536,1332 4.573,1333 5.799,1334 0.07,1335 0.042,1336 6.269,1337 3.484,1338 0.403,1339 71.278,1340 0.25,1341 21.151,1342 0.789,1343 114,1344 212.838,1345 137.077,1346 234.569,1347 334.91,1348 224,1349 137,1350 242.151,1351 157.14,1352 260.698,1353 386.06,1354 246,1355 7.745} {0 CHEMBL306940,1 1.264,2 8.556,3 2.865,4 8.208,5 74.206,6 6.951,7 0.6,8 3.607,9 3.734,10 3.137,11 3.237,12 4.624,13 3.186,14 4.117,15 4.294,16 3.427,17 3.609,18 5.075,19 3.526,20 4.328,21 4.566,22 3.302,23 3.665,24 5.177,25 3.529,26 4.232,27 4.471,28 3.176,29 3.555,30 5.06,31 3.402,32 4.207,33 4.479,34 3.112,35 3.454,36 5.03,37 3.308,38 4.022,39 4.271,40 2.852,41 3.299,42 4.814,43 3.132,44 3.872,45 4.161,46 2.53,47 3.049,48 4.534,49 2.846,50 3.59,51 3.881,52 2.48,53 2.764,54 4.331,55 2.617,56 0.036,57 0.468,58 7.245,59 3.106,60 5.376,61 4.334,62 0.105,63 0.778,64 12.793,65 5.185,66 11.243,67 7.319,68 0.121,69 0.916,70 16.681,71 6.555,72 16.988,73 9.396,74 0.068,75 0.804,76 14.996,77 6.504,78 14.057,79 9.254,80 0.098,81 0.79,82 15.157,83 5.987,84 16.914,85 8.658,86 0.076,87 0.656,88 12.308,89 5.006,90 11.942,91 7.176,92 0.053,93 0.537,94 10.862,95 4.619,96 8.86,97 6.646,98 0.047,99 0.416,100 8.22,101 3.22,102 7.823,103 4.697,105 26,106 0.233,107 0.533,108 0.66,109 0.771,110 0.818,111 0.818,112 2.959,113 0.95,114 -4.59,115 -4.51,116 -4.25,119 47.1,121 1,125 2,140 9,141 3,156 1,169 14,172 1,174 1,176 1,178 18,182 1,186 1,189 16,193 2,197 2,199 11,203 2,208 2,211 9,215 1,220 1,222 6,226 1,231 1,233 3,237 2,242 2,244 1,249 2,254 2,259 298,260 12.637,261 12.637,262 12.637,263 12.637,264 12.637,265 10.941,266 9.635,267 7.808,268 12.773,269 9.921,270 9.921,271 9.921,272 9.921,273 9.921,274 7.471,275 11.883,276 3.759,277 10.136,278 3.824,279 2.193,280 1.508,281 0.905,282 0.647,283 0.647,284 3.645,287 1,288 1,289 1,290 339,291 1.732,294 52.237,295 116.13,302 1.605,303 6.814,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 37,315 154,316 4.249,317 3.215,318 6.143,319 3.876,320 2.877,321 3.892,322 1.505,323 9.058,324 2.874,325 3.957,326 2.86,327 5.576,328 3.602,329 2.637,330 3.368,331 0.368,332 7.675,333 2.553,334 3.658,335 2.479,336 5.056,337 3.211,338 2.244,339 3.024,340 0.265,341 6.149,342 2.157,343 3.238,344 1.846,345 4.433,346 2.792,347 1.796,348 2.539,350 4.474,351 1.788,352 2.64,353 1.455,354 3.519,355 2.217,356 1.233,357 1.703,359 2.754,360 1.213,361 2.5,362 1.17,363 3.414,364 2.066,365 1.085,366 1.5,368 2.492,369 1.062,370 2.5,371 1.085,372 3.401,373 2,374 1,375 1.5,377 2.275,378 1,379 2.233,380 1,381 3.247,382 2,383 1,384 1.204,386 2.136,387 1,388 1.77,389 1,390 3,391 1.518,392 0.618,393 0.666,395 1.372,396 0.556,397 1.28,398 0.317,399 2.712,400 0.987,406 0.744,407 -0.43,408 2.294,409 0.394,410 -0.598,411 -0.748,413 -1.453,414 -0.593,415 0.5,416 -0.829,417 2,418 0.035,419 -0.959,420 -1.266,422 -2.175,423 -0.954,424 0.5,425 -1,426 1.555,428 -1,429 -1.5,431 -2.347,432 -1,433 0.451,434 -1,435 1.507,437 -1,438 -1.5,440 -3,441 -1,442 -0.298,443 -1.054,444 1.064,445 -0.533,446 -1.507,447 -1.67,449 -3.43,450 -1.456,451 8.8,452 0.489,453 0.256,454 0.014,455 24.5,456 1.361,457 13.5,458 0.75,459 11,460 0.611,461 10.79,462 0.599,463 18.2,464 0.535,465 14.178,466 0.788,467 5.022,468 0.279,469 3.894,470 0.216,473 0.227,479 0.975,480 1.107,481 0.854,482 0.95,483 0.916,484 0.904,485 1.111,486 1.036,487 1.028,488 1.015,489 1.1,490 1.015,491 1.35,492 0.886,493 1.126,494 0.965,495 1.248,496 1.018,497 0.569,498 1.118,499 0.999,500 1.143,501 0.701,502 1.109,503 0.973,504 0.891,505 0.882,506 0.867,507 0.952,508 0.868,509 1.053,510 1.05,511 1.163,512 1.132,513 1.25,514 1.151,515 0.475,516 1.002,517 0.932,518 1.059,519 0.762,520 1.033,521 0.708,522 1.023,523 0.71,524 0.86,525 0.514,526 0.799,527 2.5,528 0.015,529 1.333,530 0.66,531 0.328,532 0.306,533 0.229,534 0.124,535 0.051,536 0.014,537 3253,538 6888,539 2.189,540 47.1,542 13,545 1,546 2,550 1.579,551 2.16,552 3.109,553 -0.389,555 1,557 1,559 42.974,560 1.264,561 2.894,562 3.579,563 4.183,564 4.44,565 4.44,566 2.53,567 2.753,568 4.141,569 3.246,570 496.65,571 6.991,572 4754.13,573 1,574 1,576 1,577 172.974,578 0.764,579 4.146,580 0.125,581 0.003,582 0.051,583 0.03,584 0.017,585 0.017,586 0.018,587 0.014,588 0.006,589 0.002,590 0.282,591 0.83,592 1,594 77.483,596 -0.031,597 0.052,598 0.023,599 -0.017,600 0.038,601 0.043,602 0.027,603 -0.09,604 -0.061,605 -0.095,606 -0.08,607 -0.265,608 0.12,609 -0.161,610 -0.006,611 -0.222,612 -0.063,613 0.065,614 -0.195,615 -0.054,616 -0.146,617 0.129,618 -0.115,619 0.008,620 0.064,621 0.105,622 0.105,623 0.073,624 0.11,625 -0.153,626 -0.092,627 -0.202,628 -0.16,629 -0.293,630 -0.18,631 0.119,632 -0.127,633 0.04,634 -0.055,635 0.02,636 -0.021,637 0.262,638 -0.097,639 0.295,640 0.114,641 0.423,642 0.189,643 0.588,644 1.417,645 0.944,646 13.667,647 0.982,648 1.115,649 3.359,650 11.285,651 0.687,652 3.045,653 3.296,654 3.526,655 3.738,656 3.85,657 3.807,658 3.932,659 3.97,660 3.97,661 3.97,662 5.197,663 0.639,664 236.34,665 3.045,666 4.533,667 5.352,668 6.188,669 7.02,670 7.861,671 8.698,672 9.541,673 10.379,674 11.223,675 5.9,677 1,684 1,688 9,693 3,695 12,714 34,716 13,717 2,718 20,720 36,721 16,722 12,723 3,724 9,730 3,731 3,743 1,745 13,746 3,750 1,758 1,759 1,761 1,764 16,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 2,814 1,819 3,827 18,833 3,834 1,854 8.333,855 5.95,856 4.028,857 2.067,858 2.429,859 1.384,860 1.02,861 3.203,862 8.756,863 3.332,864 3.871,865 4.394,866 4.924,867 5.417,868 5.525,869 5.961,870 6.293,871 6.538,872 6.762,873 0.833,874 22,875 6.636,877 2.74,878 7.426,879 13.122,881 10.743,883 1.926,884 34.667,885 0.003,888 176.567,889 103.917,890 34.796,895 103.917,896 176.567,897 34.796,899 6.746,900 103.297,901 2.328,902 26.342,904 176.567,906 176.567,907 138.713,911 176.567,915 41.542,916 97.171,919 176.567,920 34.796,921 103.917,924 176.567,925 18.631,926 85.286,927 18.011,928 16.786,929 176.567,930 34.796,931 103.917,933 0.562,934 0.321,935 0.175,936 0.086,937 13,938 4,939 0.083,940 3,942 1,943 3.263,944 124.047,946 17,947 67.059,951 11.184,952 5.154,953 2.684,955 34.796,956 19.188,961 3.837,963 18.011,964 315.28,965 27,973 4.417,974 1.113,975 33.389,976 37.903,977 0.248,978 0.569,979 0.704,980 0.822,981 0.873,982 0.873,983 4.511,984 1,985 5.273,986 2.275,987 3.97,988 4.554,989 1.696,990 5.979,991 3.933,992 5.672,993 0.618,994 6.753,995 2.136,996 3.219,997 3.98,998 0.904,999 6.629,1000 3.172,1001 6.934,1003 8.333,1004 1.372,1005 5.451,1006 6.643,1007 2.113,1008 9.704,1009 5.384,1010 8.234,1011 -0.598,1012 9.975,1014 5.602,1015 6.924,1016 1.864,1017 11.243,1018 5.521,1019 9.565,1020 -0.959,1021 11.659,1022 -1.453,1023 7.194,1024 8.982,1025 2.717,1026 13.754,1027 7.106,1028 10.918,1029 -1,1030 13.371,1031 -2.175,1032 7.775,1033 9.684,1034 2.755,1035 15.653,1036 7.677,1037 12.286,1038 -1,1039 15.103,1040 -2.347,1041 9.076,1042 11.448,1043 3.416,1044 17.963,1045 8.976,1046 2.877,1047 -1.507,1048 16.849,1049 -3,1050 9.877,1051 12.394,1052 3.615,1053 20.02,1054 9.77,1055 2.637,1056 9.058,1057 18.606,1058 -3.43,1059 11.04,1060 13.992,1061 4.169,1062 22.255,1063 10.933,1064 2.244,1065 7.675,1066 20.372,1067 3.892,1068 11.955,1069 15.089,1070 4.458,1071 24.385,1072 11.845,1073 1.796,1074 6.149,1075 22.144,1076 3.368,1077 13.052,1078 16.589,1079 4.951,1080 26.592,1081 12.942,1082 1.233,1083 4.474,1084 23.921,1085 3.024,1086 14.027,1087 17.782,1088 5.291,1089 28.755,1090 13.917,1091 1.085,1092 2.754,1093 25.703,1094 2.539,1095 15.093,1096 19.223,1097 5.749,1098 30.953,1099 14.984,1100 1,1101 2.492,1102 27.489,1103 1.703,1104 16.1,1105 20.476,1106 6.119,1107 33.134,1108 15.992,1109 3081,1110 4547,1111 14.099,1112 23.341,1113 29.192,1114 29.394,1115 29.005,1116 28.938,1117 28.98,1118 38.794,1119 4.277,1120 76.77,1121 28.407,1122 5.141,1123 5.215,1124 5.945,1125 4.885,1126 4.877,1127 6.892,1128 2.65,1129 15.137,1130 4.874,1132 1.46,1133 1.47,1134 1.45,1135 1.447,1136 1.449,1137 1.94,1138 0.214,1139 3.838,1140 1.42,1141 4.016,1142 4.045,1143 3.957,1144 3.968,1145 4.852,1146 3.962,1147 3.827,1148 3.883,1149 3.747,1150 3.727,1151 4.727,1152 3.723,1153 3.693,1154 3.744,1155 3.602,1156 3.533,1157 4.57,1158 3.546,1159 3.144,1160 3.207,1161 3.002,1162 3.04,1163 3.76,1164 3.023,1165 2.854,1166 2.925,1167 2.687,1168 2.735,1169 3.674,1170 2.715,1171 2.854,1172 2.925,1173 2.687,1174 2.735,1175 3.674,1176 2.715,1177 2.795,1178 2.86,1179 2.642,1180 2.679,1181 3.531,1182 2.662,1183 2.551,1184 2.698,1185 2.306,1186 2.284,1187 3.393,1188 2.273,1189 0.212,1190 0.161,1191 0.307,1192 0.194,1193 0.144,1194 4.249,1195 0.195,1196 3.215,1197 0.075,1198 6.143,1199 0.453,1200 3.876,1201 0.144,1202 2.877,1203 3.892,1204 1.505,1205 9.058,1206 2.874,1207 1.998,1208 1.976,1209 2.099,1210 2.06,1211 1.232,1212 2.075,1213 1.788,1214 1.756,1215 1.927,1216 1.881,1217 1.037,1218 1.898,1219 1.447,1220 1.37,1221 1.73,1222 1.681,1223 1.004,1224 1.704,1225 1.402,1226 1.337,1227 1.578,1228 1.613,1229 0.728,1230 1.605,1231 0.945,1232 0.891,1233 1.181,1234 1.129,1235 0.264,1236 1.149,1237 0.886,1238 0.821,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.886,1244 0.821,1245 1.16,1246 1.062,1247 0.218,1248 1.107,1249 0.659,1250 0.567,1251 1.024,1252 0.907,1253 0.145,1254 0.954,1255 3.714,1257 4.977,1258 2.398,1259 6.435,1260 4.443,1261 7.974,1262 6.26,1263 9.555,1271 2.809,1272 3.301,1280 21.73,1281 42.974,1282 98.405,1283 121.69,1284 142.219,1285 150.974,1286 150.974,1287 17.099,1288 6.326,1289 24.39,1290 24.39,1291 17,1292 11.786,1293 3.807,1294 3,1295 25.952,1296 59,1297 42,1298 0.23,1299 135.165,1300 230,1301 321.561,1302 4107,1304 12.209,1305 0.678,1306 0.57,1307 12.209,1308 10.265,1309 8.916,1310 0.446,1311 0.317,1312 6.294,1313 8.775,1314 6.145,1315 5.103,1316 8.916,1317 6.333,1318 7.565,1319 0.291,1320 0.173,1321 7.565,1322 4.495,1323 6.349,1324 0.192,1325 0.096,1326 6.349,1327 3.176,1328 5.218,1329 0.127,1330 0.054,1331 5.218,1332 2.204,1333 3.83,1334 0.083,1335 0.03,1336 3.83,1337 1.378,1338 0.362,1339 54.403,1340 0.266,1341 18.453,1342 0.623,1343 92,1344 203.978,1345 95.497,1346 207.95,1347 294.48,1348 198,1349 105,1350 219.803,1351 108.358,1352 227.512,1353 328.3,1354 216,1355 5} {0 CHEMBL307408,1 1.453,2 6.267,3 3.067,4 9.408,5 66.775,6 8.906,7 0.375,8 3.469,9 3.602,10 3.203,11 3.082,12 4.423,13 3.006,14 4.017,15 4.226,16 3.624,17 3.473,18 4.905,19 3.363,20 4.165,21 4.38,22 3.585,23 3.575,24 5.013,25 3.413,26 4.184,27 4.412,28 3.663,29 3.559,30 4.968,31 3.365,32 4.285,33 4.566,34 3.333,35 3.453,36 5.057,37 3.217,38 4.039,39 4.337,40 3.081,41 3.172,42 4.825,43 2.99,44 3.782,45 4.047,46 3.061,47 2.939,48 4.464,49 2.653,50 3.6,51 4.023,52 2.736,53 2.424,54 3.925,55 1.973,56 0.029,57 0.422,58 5.36,59 2.825,60 4.117,61 3.94,62 0.107,63 0.686,64 13.083,65 5.033,66 10.384,67 6.904,68 0.128,69 0.761,70 21.915,71 6.214,72 13.875,73 8.199,74 0.063,75 0.745,76 17.071,77 6.804,78 9.938,79 9.078,80 0.138,81 0.765,82 41.531,83 8.069,84 19.402,85 9.999,86 0.188,87 0.634,88 23.048,89 4.683,90 16.751,91 6.312,92 0.099,93 0.452,94 14.222,95 4.256,96 9.362,97 5.979,98 0.081,99 0.286,100 21.454,101 4.41,102 8.102,103 5.468,104 10,105 22,106 0.283,107 0.607,108 0.765,109 0.765,110 0.765,111 0.765,112 2.795,113 1.123,114 -4.47,115 -4.4,116 -4.14,117 1,119 40,120 2,121 1,125 2,140 2,141 3,142 1,156 1,169 7,172 1,174 1,176 1,178 12,182 1,186 1,189 10,193 2,197 2,199 6,203 4,208 4,211 1,226 1,231 1,259 220,260 9.861,261 9.861,262 9.861,263 9.861,264 9.861,265 8.695,266 12.994,267 5.852,268 10.161,269 7.895,270 7.895,271 7.895,272 7.895,273 7.895,274 6.188,275 15.036,276 2.794,277 8.422,278 3.454,279 1.792,280 0.984,281 0.984,282 0.984,283 0.984,284 3.435,288 1,289 1,290 195,291 1.871,294 39.488,295 47.862,302 0.987,303 7.291,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 30.75,315 94,316 4.396,317 3.358,318 6.437,319 4.019,320 3.033,321 4.078,322 1.505,323 9.87,324 2.99,325 3.838,326 3.031,327 5.347,328 3.422,329 2.495,330 3.116,331 0.368,332 6.98,333 2.309,334 3.431,335 2.633,336 4.981,337 2.943,338 2.079,339 2.731,340 0.265,341 5.805,342 1.879,343 3.232,344 2.147,345 4.879,346 2.879,347 1.879,348 2.481,350 5.225,351 1.68,352 2.281,353 1.606,354 3.583,355 2.197,356 1.238,357 1.268,359 2.744,360 1.169,361 1.831,362 1.125,363 3.102,364 1.518,365 0.618,366 0.677,368 1.372,369 0.556,370 1.628,371 1.007,372 3,373 1.463,374 0.512,375 0.562,377 1.302,378 0.457,379 1,380 0.131,381 2.653,382 0.653,383 -0.347,384 -0.445,386 -0.898,387 -0.305,388 0.647,389 -0.11,390 2.37,391 0.312,392 -0.581,393 -0.671,395 -1.425,396 -0.347,397 0.352,398 -0.23,399 1.528,400 0.069,401 -0.753,402 -0.81,404 -1.847,405 -0.693,406 -0.226,407 -1.032,408 1.468,409 -0.532,410 -1.454,411 -1.566,413 -3.397,414 -1.298,415 -0.232,416 -1.071,417 1.265,418 -0.543,419 -1.532,420 -1.83,422 -4.117,423 -1.456,424 -0.301,425 -1.357,426 1,427 -0.718,428 -1.597,429 -2.036,431 -4.372,432 -1.494,433 -0.479,434 -1.379,435 1,436 -0.775,437 -1.618,438 -2.141,439 -0.199,440 -4.493,441 -1.532,442 -0.5,443 -1.559,444 1,445 -1,446 -1.973,447 -2.414,448 -0.795,449 -5.916,450 -1.915,451 8.133,452 0.542,453 0.421,454 0.028,455 16.5,456 1.1,457 7.5,458 0.5,459 9,460 0.6,461 13.778,462 0.919,463 15.867,464 0.529,465 7.428,466 0.495,467 3.063,468 0.204,469 4.101,470 0.273,471 0.287,473 0.307,479 0.839,480 1.269,481 0.494,482 0.829,483 0.936,484 0.925,485 0.874,486 0.927,487 0.529,488 0.683,489 0.786,490 0.782,491 1.323,492 0.965,493 0.98,494 1.002,495 1.387,496 1.086,497 0.552,498 1.251,499 0.654,500 1.006,501 0.591,502 1.136,503 1.009,504 1.186,505 1.455,506 1.284,507 0.935,508 1.099,509 2.024,510 0.627,511 0.894,512 0.705,513 1.856,514 0.799,515 0.286,516 1.415,517 0.665,518 1.322,519 0.687,520 1.443,521 0.366,522 0.215,523 0.964,524 0.448,525 0.306,526 0.305,527 3.5,529 1.556,530 1.222,531 0.919,532 0.236,533 0.261,534 0.077,535 0.031,537 1527,538 4015,539 1.993,540 50,541 6,542 6,545 1,546 2,550 1.533,551 1.837,552 2.675,553 -0.265,555 1,556 1,557 1,559 43.584,560 1.453,561 3.114,562 3.923,563 3.923,564 3.923,565 3.923,566 2.182,567 2.974,568 3.882,569 2.775,570 291.334,571 6.512,572 2376.7,574 1,576 1,577 147.207,578 1.506,579 3.82,580 0.219,582 0.071,583 0.064,584 0.054,585 0.017,586 0.024,587 0.019,588 0.016,590 0.483,591 0.83,592 1,593 0.725,594 58.009,595 -0.023,596 -0.091,597 0.001,598 -0.005,599 -0.101,600 0.011,601 0.092,602 0.167,603 0.052,604 0.153,605 0.15,606 0.145,607 -0.296,608 0.099,609 -0.09,610 -0.067,611 -0.368,612 -0.139,613 0.062,614 -0.289,615 0.04,616 -0.102,617 0.126,618 -0.163,619 0.009,620 -0.302,621 -0.146,622 -0.206,623 0.094,624 -0.1,625 -0.467,626 0.426,627 -0.069,628 0.147,629 -0.463,630 0.073,631 0.323,632 -0.533,633 0.047,634 -0.424,635 0.052,636 -0.48,637 0.366,638 0.418,639 0.223,640 0.626,641 0.49,642 0.728,643 0.579,644 1.429,645 0.733,646 7.689,647 0.987,648 1.125,649 3.239,650 10.492,651 0.69,652 2.833,653 3.135,654 3.332,655 3.555,656 3.555,657 3.526,658 3.367,659 3.296,660 3.045,661 2.833,662 3.924,663 0.625,664 267.19,665 2.833,666 4.344,667 5.165,668 6.028,669 6.866,670 7.732,671 8.576,672 9.443,673 10.29,674 11.156,675 6.7,677 1,684 1,688 2,693 4,695 6,713 1,714 30,716 7,717 1,718 16,719 1,720 31,721 12,722 6,723 4,724 2,730 2,731 2,736 2,743 1,745 7,746 5,750 1,758 1,759 1,760 1,761 1,764 15,765 2,766 1,767 3,768 1,773 2,774 1,777 1,792 1,793 1,814 1,819 2,822 1,823 2,827 15,833 3,834 1,846 1,854 8.167,855 6.01,856 3.306,857 1.832,858 1.473,859 1.261,860 0.976,861 3.223,862 7.122,863 3.045,864 3.624,865 4.082,866 4.571,867 4.928,868 5.001,869 4.896,870 5.044,871 5.094,872 4.961,873 1,874 19,875 5.536,876 -0.001,877 2.223,878 7.439,879 10.964,881 8.81,883 1.939,884 29.083,885 0.008,888 164.795,889 58.289,890 80.75,895 104.243,896 164.795,897 34.796,898 17.65,899 6.746,900 36.963,901 2.328,902 29.397,904 164.795,905 45.954,906 164.795,907 93.085,910 45.954,911 164.795,915 59.193,916 33.892,918 45.954,919 164.795,920 34.796,921 104.243,924 164.795,925 21.686,926 36.603,927 63.965,928 16.786,929 164.795,930 34.796,931 104.243,933 0.582,934 0.331,935 0.18,936 0.08,937 11,938 5,939 0.065,940 2,942 1,943 2.713,944 95.48,946 11,947 52.603,951 10.842,952 4.459,953 2.472,955 34.796,956 4.329,961 5.213,963 18.011,964 303.834,965 20,973 4.429,974 1.128,975 29.618,976 33.745,977 0.296,978 0.635,979 0.8,980 0.8,981 0.8,982 0.8,983 4.27,984 -0.347,985 5.153,986 1.302,987 3.807,988 4.304,989 1.696,990 5.927,991 3.695,992 5.478,993 -0.581,994 6.693,995 -0.898,996 3.434,997 4.205,998 0.904,999 6.742,1000 3.245,1001 6.787,1002 -0.753,1003 8.332,1004 -1.425,1005 5.361,1006 6.46,1007 2.113,1008 9.822,1009 5.189,1010 8.131,1011 -1.454,1012 10.026,1013 -1.847,1014 5.771,1015 7.12,1016 1.864,1017 11.447,1018 5.563,1019 9.502,1020 -1.532,1021 11.757,1022 -3.397,1023 7.192,1024 8.897,1025 2.717,1026 14.051,1027 6.992,1028 10.891,1029 -1.597,1030 13.513,1031 -4.117,1032 7.967,1033 9.914,1034 2.755,1035 16.037,1036 7.755,1037 12.295,1038 -1.618,1039 15.289,1040 -4.372,1041 9.19,1042 11.498,1043 3.416,1044 18.462,1045 8.98,1046 3.033,1047 -1.973,1048 17.08,1049 -4.493,1050 10.139,1051 12.698,1052 3.615,1053 20.613,1054 9.923,1055 2.495,1056 9.87,1057 18.884,1058 -5.916,1059 11.284,1060 14.193,1061 4.169,1062 22.963,1063 11.067,1064 2.079,1065 6.98,1066 20.698,1067 4.078,1068 12.315,1069 15.49,1070 4.458,1071 25.189,1072 12.092,1073 1.879,1074 5.805,1075 22.52,1076 3.116,1077 13.431,1078 16.942,1079 4.951,1080 27.506,1081 13.205,1082 1.238,1083 5.225,1084 24.35,1085 2.731,1086 14.5,1087 18.289,1088 5.291,1089 29.767,1090 14.267,1091 0.618,1092 2.744,1093 26.186,1094 2.481,1095 15.608,1096 19.719,1097 5.749,1098 32.069,1099 15.368,1100 0.512,1101 1.372,1102 28.026,1103 1.268,1104 16.696,1105 21.093,1106 6.119,1107 34.345,1108 16.447,1109 1584,1110 2628,1111 10.345,1112 20.694,1113 23.772,1114 24.3,1115 24.159,1116 23.847,1117 23.71,1118 29.828,1119 4.277,1120 66.597,1121 22.082,1122 5.294,1123 5.358,1124 6.051,1125 5.028,1126 5.033,1127 7.078,1128 2.65,1129 16.705,1130 4.99,1131 7.298,1132 1.486,1133 1.519,1134 1.51,1135 1.49,1136 1.482,1137 1.864,1138 0.267,1139 4.162,1140 1.38,1141 3.988,1142 4.019,1143 6.88,1144 3.947,1145 4.788,1146 3.932,1147 3.751,1148 3.819,1149 3.875,1150 3.56,1151 4.65,1152 3.574,1153 3.266,1154 3.35,1155 3.635,1156 3.125,1157 3.966,1158 3.101,1159 3.159,1160 3.214,1161 3.067,1162 3.113,1163 3.888,1164 3.055,1165 2.992,1166 3.093,1167 2.883,1168 2.826,1169 3.558,1170 2.782,1171 2.551,1172 2.699,1173 2.633,1174 2.267,1175 3.44,1176 2.224,1177 2.429,1178 2.537,1179 2.302,1180 2.229,1181 3.09,1182 2.191,1183 2.423,1184 2.513,1185 2.185,1186 2.186,1187 3.085,1188 2.187,1189 0.275,1190 0.21,1191 0.402,1192 0.251,1193 0.19,1194 4.396,1195 0.255,1196 3.358,1197 0.094,1198 6.437,1199 0.617,1200 4.019,1201 0.187,1202 3.033,1203 4.078,1204 1.505,1205 9.87,1206 2.99,1207 1.959,1208 1.939,1209 2.051,1210 2.022,1211 1.272,1212 2.04,1213 1.449,1214 1.378,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.417,1220 1.346,1221 1.639,1222 1.637,1223 0.782,1224 1.629,1225 1.303,1226 1.226,1227 1.595,1228 1.507,1229 0.719,1230 1.557,1231 1.071,1232 1.001,1233 1.364,1234 1.262,1235 0.477,1236 1.322,1237 0.753,1238 0.645,1239 1.097,1240 1.054,1241 0.219,1242 1.085,1243 0.477,1244 0.374,1245 0.879,1246 0.726,1248 0.784,1249 0.169,1250 0.083,1251 0.596,1252 0.434,1254 0.507,1255 3.497,1257 4.796,1258 2.398,1259 6.275,1260 4.443,1261 7.848,1262 6.26,1263 9.474,1264 3.514,1265 4.311,1271 2.846,1272 3.312,1280 18.756,1281 43.584,1282 93.432,1283 117.697,1284 117.697,1285 117.697,1286 117.697,1287 16,1288 5.649,1289 24.39,1290 24.39,1291 11,1292 11.706,1293 3,1294 2.322,1295 23.527,1296 34,1297 30,1298 0.35,1299 124.885,1300 211.26,1301 296.478,1302 1525,1303 3.3,1304 10.836,1305 0.722,1306 0.712,1307 11.836,1308 10.687,1309 7.165,1310 0.448,1311 0.374,1312 5.204,1313 6.451,1314 4.916,1315 4.103,1316 7.742,1317 5.987,1318 6.581,1319 0.299,1320 0.221,1321 7.398,1322 4.866,1323 5.09,1324 0.189,1325 0.119,1326 5.562,1327 3.206,1328 4.372,1329 0.129,1330 0.078,1331 5.115,1332 2.639,1333 2.58,1334 0.076,1335 0.038,1336 2.929,1337 1.278,1338 0.519,1339 52.268,1340 0.311,1341 15.032,1342 1.04,1343 76,1344 178.632,1345 145.368,1346 215.785,1347 287.15,1348 202,1349 87,1350 183.536,1351 118.622,1352 202.651,1353 291.82,1354 190,1355 7.131} {0 CHEMBL307521,1 1.439,2 8.72,3 3.711,4 13.771,5 100.587,6 6.567,7 0.37,8 4.016,9 4.156,10 3.465,11 3.541,12 5.024,13 3.493,14 4.599,15 4.802,16 3.829,17 3.965,18 5.562,19 3.886,20 4.894,21 5.131,22 3.956,23 4.145,24 5.92,25 4.042,26 4.987,27 5.224,28 3.969,29 4.235,30 5.871,31 4.114,32 5.094,33 5.349,34 3.942,35 4.274,36 5.953,37 4.121,38 5.149,39 5.437,40 3.835,41 4.211,42 5.98,43 4.04,44 5.029,45 5.321,46 3.66,47 4.052,48 5.906,49 3.878,50 4.801,51 5.08,52 3.45,53 3.844,54 5.715,55 3.673,56 0.051,57 0.755,58 12.192,59 4.914,60 8.524,61 7.039,62 0.18,63 1.225,64 22.456,65 8.417,66 26.034,67 12.367,68 0.396,69 1.52,70 30.799,71 10.919,72 70.887,73 16.198,74 0.305,75 1.661,76 33.548,77 12.363,78 38.461,79 18.141,80 0.303,81 1.772,82 37.307,83 14.091,84 43.858,85 20.628,86 0.357,87 1.753,88 39.989,89 13.931,90 54.843,91 20.87,92 0.418,93 1.507,94 35.854,95 11.915,96 63.024,97 17.953,98 0.375,99 1.22,100 28.529,101 9.478,102 50.746,103 14.167,104 45,105 38,106 0.243,107 0.577,108 0.776,109 0.814,110 0.814,111 0.814,112 3.268,113 1.029,114 -3.43,115 -3.41,116 -3.26,119 38.5,120 2,121 5,125 2,127 1,140 2,141 4,149 1,150 1,155 1,156 1,161 1,162 1,163 1,169 10,172 5,173 1,174 1,176 3,178 11,181 1,182 6,183 1,184 1,186 3,189 11,191 1,193 4,195 1,197 3,199 10,201 1,203 6,206 1,207 1,208 2,210 1,211 11,213 1,215 6,218 1,220 4,222 9,224 3,225 1,226 3,231 2,233 8,235 2,236 1,237 1,239 1,240 1,242 3,244 6,246 1,249 2,254 2,256 2,259 897,260 16.93,261 16.93,262 16.93,263 16.93,264 16.93,265 15.545,266 16.866,267 10.02,268 17.05,269 13.225,270 13.225,271 13.225,272 13.225,273 13.225,274 10.954,275 17.928,276 4.528,277 13.417,278 4.261,279 2.279,280 1.097,281 0.875,282 0.875,283 0.875,284 3.946,287 1,288 1,289 1,290 452,291 4,294 47.093,295 101.328,298 80.268,299 86.512,302 1.274,303 25.282,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 53.5,315 218,316 4.725,317 3.823,318 7.005,319 4.309,320 3.311,321 4.671,322 0.98,323 11.956,324 3.305,325 4.115,326 3.357,327 6.264,328 3.864,329 2.881,330 3.524,331 0.8,332 9.335,333 2.86,334 3.861,335 3.048,336 6.068,337 3.647,338 2.66,339 3.206,341 8.621,342 2.591,343 3.656,344 2.849,345 5.677,346 3.322,347 2.335,348 2.761,350 7.351,351 2.294,352 3.277,353 2.529,354 4.932,355 2.833,356 1.838,357 2.565,359 5.275,360 1.823,361 2.904,362 1.979,363 4.598,364 2.603,365 1.624,366 2.005,368 4.442,369 1.588,370 2.673,371 1.7,372 4.406,373 2.53,374 1.527,375 1.68,377 4.148,378 1.526,379 2.444,380 1.598,381 3.711,382 2.237,383 1.247,384 1.294,386 2.166,387 1.233,388 2.247,389 1.298,390 3.369,391 1.908,392 0.901,393 1.247,395 2.117,396 0.898,397 2.114,398 0.915,399 3.247,400 1.808,401 0.834,402 0.963,404 2.012,405 0.81,406 1.986,407 0.854,408 3.121,409 1.654,410 0.651,411 0.774,413 1.213,414 0.649,415 1.649,416 0.669,417 2.82,418 1.475,419 0.447,420 0.588,422 0.912,423 0.457,424 0.892,425 0.225,426 2.535,427 0.637,428 -0.348,429 -0.401,431 -0.632,432 -0.343,433 0.772,434 -0.164,435 2.302,436 0.521,437 -0.445,438 -0.445,440 -0.832,441 -0.428,442 0.555,443 -0.287,444 2.226,445 0.404,446 -0.597,447 -0.727,449 -1.632,450 -0.595,451 11.867,452 0.475,453 0.61,454 0.024,455 26.5,456 1.06,457 11,458 0.44,459 15.5,460 0.62,461 26.103,462 1.044,463 28.333,464 0.545,465 19.014,466 0.761,467 4.759,468 0.19,469 7.303,470 0.292,471 0.174,473 0.371,479 0.738,480 1.32,481 0.925,482 1.142,483 0.611,484 1.06,485 0.665,486 1.144,487 0.881,488 1.043,489 0.437,490 0.99,491 0.73,492 0.991,493 0.884,494 0.942,495 0.511,496 0.928,497 0.787,498 1.062,499 0.988,500 1.066,501 0.66,502 1.052,503 0.59,504 1.142,505 0.958,506 1.178,507 0.609,508 1.129,509 0.761,510 0.999,511 0.908,512 1.017,513 0.743,514 0.987,515 0.964,516 0.922,517 0.949,518 0.935,519 1.047,520 0.941,521 1.026,522 0.944,523 1.06,524 1.01,525 1.146,526 1.037,527 4.5,528 0.066,529 3.333,530 1.563,531 1.543,532 1.077,533 0.663,534 0.498,535 0.317,536 0.201,537 5920,538 13482,539 2.015,540 51.9,541 8,542 7,543 1,545 3,547 8,550 1.688,551 1.852,552 3.148,553 0.926,555 1,559 74.847,560 1.439,561 3.422,562 4.604,563 4.825,564 4.825,565 4.825,566 2.519,567 4.164,568 4.613,569 3.267,570 980.07,571 8.02,572 11516,574 1,576 1,577 296.423,578 1.516,579 4.555,580 0.167,581 0.008,582 0.088,583 0.037,584 0.037,585 0.028,586 0.019,587 0.018,588 0.014,589 0.013,590 0.428,591 0.33,592 1,593 1.57,594 118.06,595 -0.05,596 -0.025,597 0.032,598 0.031,599 -0.04,600 0.042,601 0.063,602 0.012,603 0.078,604 0.04,605 0.123,606 0.059,607 0.138,608 0.072,609 0.088,610 0.085,611 0.244,612 0.084,613 -0.001,614 -0.004,615 -0.03,616 -0.023,617 0.032,618 -0.028,619 0.096,620 -0.145,621 -0.017,622 -0.142,623 0.054,624 -0.104,625 0.034,626 -0.067,627 0.049,628 -0.044,629 0.016,630 -0.003,632 -0.011,633 0.028,634 0.014,635 -0.057,636 0.022,637 -0.004,638 -0.001,639 -0.077,640 -0.057,641 -0.094,642 -0.075,643 2.565,644 5.221,645 0.52,646 19.936,647 0.992,648 1.133,649 2.202,650 4.851,651 0.636,652 3.332,653 3.664,654 3.989,655 4.29,656 4.554,657 4.718,658 4.883,659 5.03,660 5.106,661 5.088,662 5.412,663 0.593,664 341.5,665 3.332,666 4.875,667 5.746,668 6.645,669 7.546,670 8.457,671 9.369,672 10.285,673 11.203,674 12.123,675 5.8,678 1,682 1,683 1,687 2,688 3,690 1,693 3,695 10,700 1,714 52,716 12,717 1,718 27,720 54,721 20,722 8,723 4,724 2,725 2,730 3,731 6,736 2,740 4,743 6,745 10,746 10,750 2,755 2,759 2,761 1,764 27,765 4,766 3,767 5,773 3,777 0.333,778 2,788 1,792 1,793 2,796 1,797 1,804 1,815 1,819 1,823 2,827 25,828 1,833 7,837 1,838 1,847 3.8,850 2,854 13.5,855 9.7,856 5.694,857 3.649,858 2.297,859 1.311,860 0.971,861 5.48,862 9.68,863 3.555,864 4.131,865 4.761,866 5.372,867 5.92,868 6.352,869 6.749,870 7.141,871 7.32,872 7.517,873 0.833,874 42,875 9.328,877 3.985,878 7.74,879 18.135,881 15.254,883 2.24,884 56,886 1,887 1,888 282.506,889 86.646,890 52.807,892 50.29,895 86.646,896 332.796,897 52.807,898 17.65,899 49.781,900 28,901 60.128,902 32.04,903 13.915,904 270.735,906 282.506,907 139.453,908 50.29,911 188.338,912 144.459,915 87.342,916 52.112,919 282.506,920 103.097,921 86.646,924 282.506,925 40.996,926 48.775,927 16.786,928 83.187,929 282.506,930 103.097,931 86.646,933 0.572,934 0.349,935 0.196,936 0.112,937 18,938 9,939 0.13,940 7,941 2,942 1.308,943 3.5,944 212.882,945 0.308,946 13,947 110.096,951 18,952 7.611,953 3.454,954 1.792,955 86.311,956 5.77,958 3.126,961 2.907,963 49.683,964 472.25,965 34,970 23.624,974 -1.509,975 51.563,976 58.896,977 0.253,978 0.6,979 0.808,980 0.846,981 0.846,982 0.846,983 4.808,984 1.247,985 5.746,986 4.148,987 4.344,988 4.816,989 1.356,990 6.616,991 4.321,992 6.011,993 0.901,994 7.344,995 2.166,996 4.007,997 4.771,998 0.325,999 7.656,1000 3.986,1001 7.334,1002 0.834,1003 9.047,1004 2.117,1005 5.984,1006 7.053,1007 1.195,1008 10.8,1009 5.941,1010 8.699,1011 0.651,1012 10.811,1013 2.012,1014 6.494,1015 7.901,1016 0.268,1017 12.677,1018 6.459,1019 10.102,1020 0.447,1021 12.613,1022 1.213,1023 7.946,1024 9.69,1025 1.112,1026 15.354,1027 7.894,1028 11.532,1029 -0.348,1030 14.441,1031 0.912,1032 8.825,1033 10.927,1034 0.188,1035 17.571,1036 8.782,1037 12.984,1038 -0.445,1039 16.288,1040 -0.632,1041 10.088,1042 12.549,1043 1.054,1044 20.101,1045 10.034,1046 3.311,1047 -0.597,1048 18.15,1049 -0.832,1050 11.131,1051 13.958,1052 0.125,1053 22.465,1054 11.083,1055 2.881,1056 11.956,1057 20.023,1058 -1.632,1059 12.327,1060 15.522,1061 1.007,1062 24.95,1063 12.274,1064 2.66,1065 9.335,1066 21.905,1067 4.671,1068 13.443,1069 17.006,1070 0.082,1071 27.377,1072 13.393,1073 2.335,1074 8.621,1075 23.795,1076 3.524,1077 14.62,1078 18.552,1079 0.969,1080 29.852,1081 14.569,1082 1.838,1083 7.351,1084 25.692,1085 3.206,1086 15.77,1087 20.067,1088 0.054,1089 32.307,1090 15.721,1091 1.624,1092 5.275,1093 27.595,1094 2.761,1095 16.945,1096 21.608,1097 0.935,1098 34.781,1099 16.895,1100 1.527,1101 4.442,1102 29.502,1103 2.565,1104 18.112,1105 23.138,1106 0.035,1107 37.249,1108 18.063,1109 6013,1110 9295,1111 17.512,1112 33.063,1113 41.076,1114 42.34,1115 42.879,1116 40.555,1117 40.508,1118 50.555,1119 3.56,1120 119.094,1121 40.062,1122 5.67,1123 5.823,1124 6.807,1125 5.326,1126 5.311,1127 7.671,1128 1.96,1129 19.416,1130 5.305,1131 14.285,1132 1.521,1133 1.568,1134 1.588,1135 1.502,1136 1.5,1137 1.872,1138 0.132,1139 4.411,1140 1.484,1141 4.17,1142 4.198,1143 4.133,1144 4.096,1145 7.503,1146 4.102,1147 3.826,1148 3.89,1149 3.722,1150 3.672,1151 7.355,1152 3.676,1153 3.647,1154 3.697,1155 3.559,1156 3.5,1157 4.937,1158 3.498,1159 3.51,1160 3.586,1161 3.408,1162 3.348,1163 4.867,1164 3.321,1165 3.501,1166 3.549,1167 3.279,1168 3.301,1169 4.383,1170 3.32,1171 3.264,1172 3.332,1173 3.129,1174 3.083,1175 4.231,1176 3.098,1177 3.046,1178 3.14,1179 2.849,1180 2.869,1181 4.04,1182 2.853,1183 3.011,1184 3.103,1185 2.823,1186 2.804,1187 3.94,1188 2.795,1189 0.175,1190 0.142,1191 0.259,1192 0.16,1193 0.123,1194 4.725,1195 0.173,1196 3.823,1197 0.036,1198 7.005,1199 0.443,1200 4.309,1201 0.122,1202 3.311,1203 4.671,1204 0.98,1205 11.956,1206 3.305,1207 2.033,1208 2.01,1209 2.139,1210 2.116,1211 1.479,1212 2.126,1213 1.741,1214 1.678,1215 1.965,1216 1.926,1217 1.233,1218 1.941,1219 1.604,1220 1.581,1221 1.861,1222 1.819,1223 1.09,1224 1.785,1225 1.539,1226 1.467,1227 1.752,1228 1.738,1229 1,1230 1.782,1231 1.53,1232 1.459,1233 1.694,1234 1.714,1235 0.789,1236 1.725,1237 1.202,1238 1.147,1239 1.484,1240 1.503,1241 0.686,1242 1.487,1243 1.17,1244 1.098,1245 1.401,1246 1.39,1247 0.551,1248 1.426,1249 0.988,1250 0.884,1251 1.36,1252 1.246,1253 0.403,1254 1.294,1255 4.007,1257 5.333,1258 2.398,1259 6.868,1260 4.727,1261 8.507,1262 6.862,1263 10.206,1265 4.431,1269 5.238,1271 7.557,1275 0.49,1276 2.573,1280 30.815,1281 74.847,1282 177.92,1283 239.403,1284 250.913,1285 250.913,1286 250.913,1287 51.444,1288 7.383,1289 79.19,1290 79.19,1291 17,1292 12.632,1293 3.7,1294 3,1295 41.43,1296 79,1297 84,1298 0.262,1299 191.248,1300 330.42,1301 458.405,1302 14191,1304 17.974,1305 0.719,1306 0.604,1307 17.974,1308 15.1,1309 12.062,1310 0.447,1311 0.343,1312 9.178,1313 11.721,1314 8.921,1315 7.446,1316 12.062,1317 9.263,1318 10.594,1319 0.279,1320 0.183,1321 10.594,1322 6.954,1323 9.113,1324 0.172,1325 0.099,1326 9.113,1327 5.244,1328 7.598,1329 0.106,1330 0.058,1331 7.598,1332 4.143,1333 6.305,1334 0.067,1335 0.033,1336 6.305,1337 3.098,1338 0.395,1339 74.845,1340 0.239,1341 23.62,1342 0.767,1343 130,1344 330.761,1345 139.48,1346 322.171,1347 438.75,1348 300,1349 156,1350 320.554,1351 165.814,1352 325.645,1353 482.07,1354 308,1355 6.357} {0 CHEMBL307786,1 1.316,2 7.955,3 4.582,4 20.997,5 93.158,6 6.218,7 0.417,8 3.927,9 4.068,10 3.345,11 3.476,12 4.851,13 3.411,14 4.527,15 4.739,16 3.68,17 3.903,18 5.323,19 3.803,20 4.814,21 5.068,22 3.789,23 4.081,24 5.558,25 3.952,26 4.919,27 5.172,28 3.797,29 4.158,30 5.685,31 4.01,32 5.003,33 5.274,34 3.695,35 4.173,36 5.707,37 3.983,38 5.039,39 5.345,40 3.557,41 4.076,42 5.741,43 3.864,44 4.872,45 5.189,46 3.33,47 3.881,48 5.582,49 3.663,50 4.561,51 4.851,52 3.122,53 3.65,54 5.319,55 3.446,56 0.053,57 0.68,58 11.653,59 4.784,60 8.325,61 6.905,62 0.144,63 1.141,64 21.248,65 8.03,66 13.936,67 11.921,68 0.193,69 1.433,70 28.094,71 10.468,72 20.925,73 15.671,74 0.276,75 1.551,76 31.269,77 11.848,78 26.762,79 17.482,80 0.195,81 1.608,82 33.424,83 13.411,84 25.312,85 19.513,86 0.285,87 1.568,88 34.723,89 13.014,90 35.087,91 19.199,92 0.303,93 1.29,94 29.377,95 10.764,96 34.142,97 15.971,98 0.162,99 0.984,100 21.483,101 8.153,102 21.22,103 11.969,104 24,105 33,106 0.227,107 0.549,108 0.764,109 0.806,110 0.806,111 0.806,112 3.148,113 1.074,114 -4.48,115 -4.4,116 -4.15,119 39.6,120 2,121 5,125 2,127 1,140 2,141 4,149 1,150 1,153 1,169 10,172 5,176 3,178 11,182 5,186 2,189 11,193 3,195 1,197 2,199 10,203 5,208 1,211 11,215 3,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 6,249 2,254 2,256 2,259 602,260 15.386,261 15.386,262 15.386,263 15.386,264 15.386,265 14.184,266 14.201,267 9.213,268 15.532,269 11.722,270 11.722,271 11.722,272 11.722,273 11.722,274 9.761,275 15.648,276 4.082,277 11.968,278 4.269,279 2.396,280 1.146,281 0.906,282 0.906,283 0.906,284 3.83,288 1,289 1,290 369,291 3.317,294 40.473,295 85.808,298 68.667,299 73.354,302 1.149,303 13.244,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 46,315 175,316 4.687,317 3.408,318 6.919,319 4.258,320 3.266,321 4.646,322 0.8,323 11.66,324 3.241,325 3.963,326 3.086,327 6.165,328 3.78,329 2.827,330 3.365,332 9.131,333 2.7,334 3.696,335 2.868,336 5.828,337 3.438,338 2.459,339 2.835,341 7.946,342 2.399,343 3.418,344 2.505,345 5.112,346 2.97,347 1.981,348 2.725,350 5.898,351 1.954,352 2.959,353 1.979,354 4.648,355 2.641,356 1.65,357 2.097,359 4.678,360 1.635,361 2.673,362 1.699,363 4.408,364 2.572,365 1.584,366 1.68,368 4.221,369 1.56,370 2.398,371 1.597,372 3.701,373 2.237,374 1.247,375 1.271,377 2.165,378 1.233,379 2.247,380 1.298,381 3.315,382 1.881,383 0.887,384 1.247,386 2.117,387 0.876,388 2.067,389 0.915,390 3.247,391 1.805,392 0.834,393 0.953,395 1.91,396 0.808,397 1.977,398 0.852,399 2.867,400 1.625,401 0.629,402 0.676,404 0.998,405 0.623,406 1.648,407 0.666,408 2.695,409 1.388,410 0.314,411 0.49,413 0.488,414 0.335,415 0.892,416 -0.167,417 2.523,418 0.637,419 -0.349,420 -0.401,422 -0.632,423 -0.343,424 0.77,425 -0.287,426 2.252,427 0.521,428 -0.445,429 -0.445,431 -0.832,432 -0.428,433 0.555,434 -0.377,435 2.163,436 0.402,437 -0.605,438 -0.75,440 -1.477,441 -0.608,442 0.288,443 -0.866,444 2,445 0.048,446 -0.944,447 -1.058,449 -1.874,450 -0.933,451 10.633,452 0.483,453 0.393,454 0.018,455 23,456 1.045,457 9.5,458 0.432,459 13.5,460 0.614,461 22.451,462 1.021,463 24.767,464 0.516,465 13.931,466 0.633,467 4.02,468 0.183,469 6.759,470 0.307,471 0.125,473 0.32,479 0.748,480 1.361,481 0.973,482 1.179,483 0.521,484 1.104,485 0.937,486 1.133,487 0.992,488 1.011,489 0.592,490 0.999,491 0.804,492 1.024,493 0.927,494 0.952,495 0.421,496 0.94,497 0.863,498 1.022,499 1.045,500 1.041,501 0.668,502 1.05,503 0.636,504 1.149,505 1.014,506 1.171,507 0.64,508 1.134,509 0.82,510 0.958,511 0.925,512 0.982,513 0.893,514 0.968,515 0.928,516 0.793,517 0.899,518 0.836,519 1.061,520 0.863,521 0.935,522 1.005,523 1.024,524 1.049,525 1.037,526 1.047,527 3.5,529 2.667,530 1.41,531 1.223,532 0.722,533 0.517,534 0.314,535 0.177,536 0.121,537 4315,538 8352,539 2.07,540 54.2,541 8,542 7,543 1,544 1,545 1,547 8,550 1.652,551 1.941,552 3.013,553 -0.399,559 63.156,560 1.316,561 3.189,562 4.439,563 4.679,564 4.679,565 4.679,566 2.431,567 3.914,568 4.429,569 3.128,570 722.647,571 7.644,572 7766.53,574 1,577 268.078,578 1.395,579 4.392,580 0.146,582 0.081,583 0.039,584 0.035,585 0.024,586 0.021,587 0.016,588 0.011,589 0.012,590 0.384,591 0.67,592 1,593 1.504,594 99.107,595 0.012,596 -0.101,597 0.056,598 -0.011,599 0.04,600 0.019,601 -0.062,602 0.016,603 0.021,604 0.047,605 -0.009,606 0.042,607 -0.015,608 0.046,609 0.06,610 0.058,611 0.069,612 0.067,613 0.019,614 0.028,615 -0.058,616 -0.03,617 0.049,618 -0.045,619 0.028,620 -0.177,621 -0.065,622 -0.154,623 0.028,624 -0.124,625 0.056,626 -0.045,627 0.03,628 -0.032,629 0.005,630 -0.009,631 0.05,632 0.1,633 0.06,634 0.093,635 -0.031,636 0.079,637 -0.035,638 -0.067,639 -0.064,640 -0.079,641 -0.059,642 -0.074,643 1.015,644 4.357,645 0.591,646 15.636,647 0.982,648 1.129,649 3.247,650 10.543,651 0.638,652 3.219,653 3.526,654 3.871,655 4.19,656 4.431,657 4.554,658 4.71,659 4.86,660 4.883,661 4.796,662 4.969,663 0.585,664 298.47,665 3.219,666 4.745,667 5.617,668 6.512,669 7.41,670 8.317,671 9.225,672 10.136,673 11.048,674 11.962,675 4.2,678 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 48,716 11,717 1,718 24,720 50,721 19,722 8,723 4,724 2,725 1,730 3,731 6,736 2,740 4,743 6,745 9,746 10,750 1,755 1,757 1,761 1,764 26,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 22,833 7,837 1,838 1,847 2.1,850 1,854 11.333,855 9.033,856 5.139,857 3.496,858 2.236,859 1.315,860 0.973,861 4.751,862 9.333,863 3.434,864 3.994,865 4.653,866 5.296,867 5.819,868 6.205,869 6.583,870 6.982,871 7.077,872 7.193,873 1,874 36,875 8.184,877 3.409,878 7.485,879 16.415,881 13.896,883 1.985,884 43.667,885 0.001,887 1,888 294.278,889 88.232,890 19.91,892 25.145,895 88.232,896 319.422,897 19.91,898 17.65,899 16.884,900 28,901 48.34,902 32.04,903 13.915,904 270.735,906 294.278,907 108.142,908 25.145,911 200.109,912 119.314,915 54.444,916 42.274,917 11.424,919 294.278,920 45.055,921 88.232,924 294.278,925 31.158,926 60.199,927 16.786,928 25.145,929 294.278,930 45.055,931 88.232,933 0.558,934 0.35,935 0.211,936 0.118,937 16,938 7,939 0.12,940 6,941 2,942 1.308,943 3.325,944 177.038,945 0.308,946 13,947 92.107,951 15.454,952 6.764,953 2.914,954 2.254,955 28.269,956 6.206,958 3.239,961 3.638,963 16.786,964 427.565,965 30,970 11.357,972 0.985,975 47.134,976 54.188,977 0.236,978 0.571,979 0.795,980 0.838,981 0.838,982 0.838,983 4.668,984 0.887,985 5.595,986 2.165,987 4.205,988 4.677,989 0.673,990 6.454,991 4.166,992 5.849,993 0.834,994 7.177,995 2.117,996 3.761,997 4.543,998 0.325,999 7.469,1000 3.693,1001 7.157,1002 0.629,1003 8.866,1004 1.91,1005 5.826,1006 6.924,1007 0.379,1008 10.612,1009 5.747,1010 8.512,1011 0.314,1012 10.618,1013 0.998,1014 6.275,1015 7.74,1016 0.268,1017 12.484,1018 6.174,1019 9.91,1020 -0.349,1021 12.412,1022 0.488,1023 7.769,1024 9.576,1025 0.239,1026 15.144,1027 7.658,1028 11.338,1029 -0.445,1030 14.233,1031 -0.632,1032 8.618,1033 10.807,1034 0.188,1035 17.356,1036 8.495,1037 12.788,1038 -0.605,1039 16.074,1040 -0.832,1041 9.896,1042 12.451,1043 0.156,1044 19.865,1045 9.765,1046 3.266,1047 -0.944,1048 17.93,1049 -1.477,1050 10.924,1051 13.86,1052 0.125,1053 22.217,1054 10.786,1055 2.827,1056 11.66,1057 19.798,1058 -1.874,1059 12.124,1060 15.434,1061 0.102,1062 24.68,1063 11.98,1064 2.459,1065 9.131,1066 21.675,1067 4.646,1068 13.23,1069 16.918,1070 0.082,1071 27.089,1072 13.082,1073 1.981,1074 7.946,1075 23.56,1076 3.365,1077 14.404,1078 18.467,1079 0.066,1080 29.541,1081 14.252,1082 1.65,1083 5.898,1084 25.452,1085 2.835,1086 15.545,1087 19.981,1088 0.054,1089 31.974,1090 15.39,1091 1.584,1092 4.678,1093 27.349,1094 2.725,1095 16.714,1096 21.521,1097 0.043,1098 34.425,1099 16.555,1100 1.247,1101 4.221,1102 29.251,1103 2.097,1104 17.872,1105 23.047,1106 0.035,1107 36.87,1108 17.71,1109 4344,1110 6183,1111 16.008,1112 30.603,1113 35.967,1114 37.201,1115 37.418,1116 35.463,1117 35.357,1118 43.974,1119 1.6,1120 102.423,1121 34.726,1122 5.632,1123 5.408,1124 6.721,1125 5.273,1126 5.266,1127 7.646,1128 1.2,1129 18.941,1130 5.241,1131 10.309,1132 1.499,1133 1.55,1134 1.559,1135 1.478,1136 1.473,1137 1.832,1138 0.067,1139 4.268,1140 1.447,1141 4.165,1142 4.195,1143 4.125,1144 4.092,1145 7.452,1146 4.097,1147 3.822,1148 3.888,1149 3.711,1150 3.666,1151 4.934,1152 3.669,1153 3.619,1154 3.682,1155 3.485,1156 3.483,1157 4.384,1158 3.474,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.233,1164 3.32,1165 3.347,1166 3.392,1167 3.229,1168 3.223,1169 4.04,1170 3.215,1171 3.129,1172 3.195,1173 2.996,1174 2.908,1175 3.942,1176 2.904,1177 3.034,1178 3.119,1179 2.845,1180 2.846,1181 3.647,1182 2.845,1183 2.969,1184 3.056,1185 2.754,1186 2.71,1187 3.538,1188 2.714,1189 0.195,1190 0.142,1191 0.288,1192 0.177,1193 0.136,1194 4.687,1195 0.194,1196 3.408,1197 0.033,1198 6.919,1199 0.486,1200 4.258,1201 0.135,1202 3.266,1203 4.646,1204 0.8,1205 11.66,1206 3.241,1207 2.032,1208 2.008,1209 2.14,1210 2.116,1211 1.478,1212 2.126,1213 1.74,1214 1.676,1215 1.965,1216 1.925,1217 1.232,1218 1.94,1219 1.557,1220 1.515,1221 1.861,1222 1.768,1223 1.09,1224 1.785,1225 1.539,1226 1.465,1227 1.752,1228 1.738,1229 0.998,1230 1.759,1231 1.522,1232 1.459,1233 1.678,1234 1.674,1235 0.785,1236 1.689,1237 1.177,1238 1.1,1239 1.484,1240 1.403,1241 0.675,1242 1.435,1243 0.994,1244 0.908,1245 1.372,1246 1.249,1247 0.55,1248 1.296,1249 0.949,1250 0.868,1251 1.24,1252 1.238,1253 0.403,1254 1.234,1255 3.892,1257 5.198,1258 2.398,1259 6.727,1260 4.727,1261 8.367,1262 6.843,1263 10.066,1265 4.516,1271 8.206,1275 0.618,1276 2.648,1280 28.079,1281 63.156,1282 153.085,1283 213.059,1284 224.568,1285 224.568,1286 224.568,1287 32.839,1288 7.098,1289 36.1,1290 36.1,1291 17,1292 12.475,1293 3.585,1294 2.807,1295 34.227,1296 65,1297 66,1298 0.268,1299 173.793,1300 295.97,1301 415.814,1302 9950,1304 15.527,1305 0.706,1306 0.622,1307 15.527,1308 13.692,1309 10.779,1310 0.449,1311 0.358,1312 8.527,1313 10.528,1314 8.269,1315 6.918,1316 10.779,1317 8.591,1318 8.995,1319 0.273,1320 0.195,1321 8.995,1322 6.42,1323 7.998,1324 0.17,1325 0.105,1326 7.998,1327 4.933,1328 7.056,1329 0.109,1330 0.061,1331 7.056,1332 3.952,1333 5.799,1334 0.07,1335 0.035,1336 5.799,1337 2.944,1338 0.403,1339 66.408,1340 0.25,1341 21.151,1342 0.789,1343 114,1344 249.714,1345 119.575,1346 245.423,1347 342.7,1348 232,1349 137,1350 253.164,1351 143.158,1352 259.667,1353 383.71,1354 246,1355 6.81} {0 CHEMBL308042,1 1.216,2 7,3 3.513,4 12.342,5 73.343,6 5.907,7 0.333,8 3.702,9 3.852,10 3.069,11 3.248,12 4.601,13 3.168,14 4.276,15 4.51,16 3.4,17 3.639,18 5.073,19 3.529,20 4.457,21 4.694,22 3.367,23 3.781,24 5.251,25 3.631,26 4.563,27 4.821,28 3.318,29 3.815,30 5.275,31 3.626,32 4.627,33 4.923,34 3.291,35 3.753,36 5.332,37 3.555,38 4.531,39 4.824,40 2.987,41 3.617,42 5.252,43 3.402,44 4.495,45 4.85,46 2.43,47 3.39,48 4.958,49 3.059,50 4.081,51 4.486,52 2.208,53 2.806,54 4.549,55 2.516,56 0.05,57 0.549,58 9.612,59 3.854,60 6.553,61 5.713,62 0.13,63 0.881,64 16.594,65 6.356,66 12.422,67 9.505,68 0.128,69 1.023,70 19.696,71 7.692,72 17.257,73 11.476,74 0.1,75 1.075,76 21.229,77 8.969,78 15.736,79 13.057,80 0.126,81 1.091,82 22.394,83 8.625,84 21.123,85 13.001,86 0.176,87 0.995,88 20.743,89 7.003,90 21,91 11.037,92 0.1,93 0.813,94 18.484,95 7.506,96 12.995,97 11.086,98 0.09,99 0.504,100 12.033,101 4.067,102 11.805,103 6.445,104 18,105 25,106 0.223,107 0.514,108 0.747,109 0.747,110 0.747,111 0.747,112 2.908,113 1.075,114 -4.59,115 -4.51,116 -4.24,119 38.5,120 4,121 1,122 1,125 2,140 2,141 4,156 1,169 12,172 1,174 1,176 1,178 17,182 1,186 1,189 17,193 2,197 2,199 11,203 4,208 4,211 7,215 1,220 1,222 2,226 1,231 1,237 2,242 2,259 302,260 11.069,261 11.069,262 11.069,263 11.069,264 11.069,265 9.979,266 16.2,267 6.502,268 11.204,269 8.863,270 8.863,271 8.863,272 8.863,273 8.863,274 7.19,275 18.249,276 3.08,277 9.078,278 4.07,279 2.48,280 1.206,281 1.206,282 1.206,283 1.206,284 3.552,287 1,288 1,289 1,290 245,291 2.55,294 47.997,295 56.243,302 1.294,303 7.768,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 35,315 119,316 4.421,317 3.36,318 6.466,319 4.066,320 3.068,321 4.099,322 1.505,323 9.983,324 3.062,325 3.881,326 3.055,327 5.857,328 3.587,329 2.608,330 3.163,331 0.368,332 7.973,333 2.566,334 3.67,335 2.749,336 5.313,337 3.339,338 2.386,339 2.927,340 0.265,341 6.799,342 2.259,343 3.232,344 2.147,345 4.879,346 2.879,347 1.879,348 2.481,350 5.225,351 1.879,352 2.491,353 1.648,354 4,355 2.336,356 1.351,357 1.49,359 3.259,360 1.33,361 2.24,362 1.26,363 3.488,364 2.101,365 1.121,366 1.214,368 2.556,369 1.097,370 1.798,371 1.091,372 3,373 1.518,374 0.618,375 0.67,377 1.372,378 0.556,379 1.548,380 0.855,381 3,382 1.405,383 0.419,384 0.46,386 1.053,387 0.413,388 1,389 -0.11,390 2.653,391 0.653,392 -0.347,393 -0.445,395 -0.898,396 -0.347,397 0.553,398 -0.228,399 2.327,400 0.302,401 -0.682,402 -0.765,404 -1.839,405 -0.67,406 0.17,407 -0.666,408 1.693,410 -1,411 -1,413 -2,414 -1,416 -1,417 1.468,419 -1,420 -1.138,422 -2.615,423 -1,424 -0.232,425 -1.05,426 1.306,427 -0.532,428 -1.518,429 -1.593,431 -3.592,432 -1.456,433 -0.3,434 -1.166,435 1.163,436 -0.547,437 -1.532,438 -1.877,440 -4.372,441 -1.465,442 -0.464,443 -1.357,444 1,445 -0.718,446 -1.618,447 -2.036,449 -4.493,450 -1.532,451 8.3,452 0.488,453 0.511,454 0.03,455 17.5,456 1.029,457 7.5,458 0.441,459 10,460 0.588,461 16.291,462 0.958,463 19.3,464 0.495,465 9.529,466 0.561,467 3.218,468 0.189,469 4.857,470 0.286,471 0.241,473 0.361,479 1.029,480 1.357,481 1.063,482 1.205,483 1.224,484 1.148,485 0.997,486 0.961,487 0.898,488 0.907,489 0.847,490 0.898,491 1.33,492 1.05,493 1.215,494 1.117,495 1.36,496 1.151,497 0.55,498 1.214,499 1.079,500 1.245,501 0.822,502 1.205,503 0.657,504 1.167,505 0.905,506 1.074,507 0.632,508 1.017,509 1.892,510 1.014,511 1.34,512 1.081,513 1.829,514 1.158,515 0.388,516 0.934,517 0.867,518 0.993,519 0.621,520 0.967,521 0.694,522 0.569,523 0.417,524 0.432,525 0.41,526 0.411,527 4,529 2,530 1.222,531 1.319,532 0.416,533 0.261,534 0.14,535 0.068,536 0.049,537 2145,538 3723,539 1.96,540 56.4,541 13,542 6,545 1,546 2,550 1.571,551 1.789,552 2.816,553 -0.371,555 1,557 1,559 47.42,560 1.216,561 2.806,562 4.08,563 4.08,564 4.08,565 4.08,566 2.257,567 3.382,568 4.058,569 2.962,570 402.895,571 6.87,572 3606.78,573 1,574 1,576 1,577 206.131,578 1.549,579 3.989,580 0.222,582 0.08,583 0.053,584 0.063,585 0.021,586 0.02,587 0.023,588 0.011,589 0.012,590 0.506,591 0.83,592 1,593 0.972,594 69.747,595 0.03,596 -0.083,597 0.042,598 -0.013,599 -0.154,600 0.01,601 0.17,602 0.164,603 0.15,604 0.153,605 0.178,606 0.151,607 -0.247,608 0.062,609 -0.183,610 -0.058,611 -0.258,612 -0.106,613 0.024,614 -0.206,615 -0.111,616 -0.181,617 -0.034,618 -0.159,619 0.15,620 -0.218,621 0.054,622 -0.089,623 0.27,624 -0.035,625 -0.39,626 0.012,627 -0.326,628 -0.159,629 -0.496,630 -0.225,631 0.107,632 -0.138,633 0.012,634 -0.076,635 0.037,636 -0.044,637 0.288,638 0.165,639 0.467,640 0.365,641 0.475,642 0.417,643 0.733,644 1.476,645 0.647,646 10.837,647 0.975,648 1.132,649 3.358,650 11.277,651 0.631,652 2.944,653 3.258,654 3.466,655 3.664,656 3.761,657 3.738,658 3.714,659 3.555,660 3.367,661 3.219,662 4.398,663 0.572,664 230.39,665 2.944,666 4.466,667 5.293,668 6.159,669 7.009,670 7.877,671 8.735,672 9.603,673 10.465,674 11.333,675 5.1,677 1,684 1,688 2,693 4,695 6,714 39,716 7,717 1,718 18,720 40,721 15,722 6,723 4,724 2,730 2,731 2,736 4,743 1,745 7,746 8,747 1,750 1,758 1,759 1,761 1,764 22,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 4,827 17,833 3,834 1,837 1,854 9.5,855 8.2,856 3.75,857 2.546,858 1.458,859 1.248,860 0.943,861 3.632,862 7.341,863 3.135,864 3.701,865 4.178,866 4.66,867 5.079,868 5.206,869 5.288,870 5.276,871 5.316,872 5.211,873 0.8,874 23,875 6.301,877 2.519,878 7.363,879 12.641,881 10.238,883 1.863,884 31.667,885 0.006,888 247.193,889 76.069,890 34.796,895 76.069,896 247.193,897 34.796,898 35.301,899 6.746,900 36.963,901 2.328,902 29.528,904 247.193,906 247.193,907 110.866,911 247.193,915 76.843,916 34.023,919 247.193,920 34.796,921 76.069,924 247.193,925 21.816,926 54.253,927 18.011,928 16.786,929 247.193,930 34.796,931 76.069,933 0.586,934 0.336,935 0.172,936 0.088,937 12,938 6,939 0.075,940 3,942 1,943 2.875,944 114.306,946 11,947 61.487,951 12.318,952 5.012,953 2.755,955 34.796,956 4.644,961 5.655,963 18.011,964 358.059,965 22,973 4.476,974 1.147,975 38.04,976 44.149,977 0.23,978 0.531,979 0.772,980 0.772,981 0.772,982 0.772,983 4.376,984 0.419,985 5.293,986 1.372,987 3.932,988 4.382,989 1.696,990 6.084,991 3.893,992 5.581,993 -0.347,994 6.851,995 1.053,996 3.611,997 4.29,998 0.904,999 6.957,1000 3.58,1001 6.89,1002 -0.682,1003 8.508,1004 -0.898,1005 5.509,1006 6.524,1007 2.113,1008 10.021,1009 5.446,1010 8.235,1011 -1,1012 10.22,1013 -1.839,1014 5.969,1015 7.201,1016 1.864,1017 11.677,1018 5.913,1019 9.608,1020 -1,1021 11.966,1022 -2,1023 7.37,1024 8.963,1025 2.717,1026 14.263,1027 7.297,1028 11,1029 -1.518,1030 13.735,1031 -2.615,1032 8.173,1033 9.992,1034 2.755,1035 16.256,1036 8.108,1037 12.407,1038 -1.532,1039 15.52,1040 -3.592,1041 9.385,1042 11.566,1043 3.416,1044 18.667,1045 9.312,1046 3.068,1047 -1.618,1048 17.318,1049 -4.372,1050 10.347,1051 12.774,1052 3.615,1053 20.817,1054 10.281,1055 2.608,1056 9.983,1057 19.125,1058 -4.493,1059 11.488,1060 14.264,1061 4.169,1062 23.158,1063 11.42,1064 2.386,1065 7.973,1066 20.94,1067 4.099,1068 12.526,1069 15.566,1070 4.458,1071 25.385,1072 12.462,1073 1.879,1074 6.799,1075 22.762,1076 3.163,1077 13.642,1078 17.016,1079 4.951,1080 27.698,1081 13.578,1082 1.351,1083 5.225,1084 24.589,1085 2.927,1086 14.716,1087 18.369,1088 5.291,1089 29.961,1090 14.656,1091 1.121,1092 3.259,1093 26.421,1094 2.481,1095 15.825,1096 19.8,1097 5.749,1098 32.264,1099 15.767,1100 0.618,1101 2.556,1102 28.257,1103 1.49,1104 16.919,1105 21.179,1106 6.119,1107 34.545,1108 16.862,1109 2228,1110 3002,1111 11.444,1112 24.625,1113 27.008,1114 27.442,1115 27.563,1116 26.822,1117 26.901,1118 33.008,1119 4.277,1120 76.437,1121 26.324,1122 5.32,1123 5.36,1124 6.079,1125 5.074,1126 5.068,1127 7.099,1128 2.65,1129 16.817,1130 5.062,1131 9.351,1132 1.5,1133 1.525,1134 1.531,1135 1.49,1136 1.495,1137 1.834,1138 0.238,1139 4.246,1140 1.462,1141 4.016,1142 4.048,1143 3.954,1144 3.962,1145 4.785,1146 3.956,1147 3.769,1148 3.84,1149 3.676,1150 3.578,1151 4.644,1152 3.592,1153 3.541,1154 3.611,1155 3.374,1156 3.41,1157 4.147,1158 3.394,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 3.966,1164 3.101,1165 3.073,1166 3.155,1167 2.871,1168 2.929,1169 3.631,1170 2.905,1171 2.93,1172 3.036,1173 2.656,1174 2.738,1175 3.553,1176 2.703,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.551,1184 2.699,1185 2.302,1186 2.229,1187 3.439,1188 2.195,1189 0.246,1190 0.187,1191 0.359,1192 0.226,1193 0.17,1194 4.421,1195 0.228,1196 3.36,1197 0.084,1198 6.466,1199 0.555,1200 4.066,1201 0.17,1202 3.068,1203 4.099,1204 1.505,1205 9.983,1206 3.062,1207 1.994,1208 1.97,1209 2.111,1210 2.065,1211 1.336,1212 2.082,1213 1.61,1214 1.549,1215 1.865,1216 1.778,1217 1.078,1218 1.809,1219 1.446,1220 1.363,1221 1.73,1222 1.681,1223 1.004,1224 1.704,1225 1.372,1226 1.298,1227 1.639,1228 1.606,1229 0.75,1230 1.606,1231 1.303,1232 1.226,1233 1.589,1234 1.507,1235 0.719,1236 1.557,1237 0.977,1238 0.883,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.355,1246 1.215,1247 0.434,1248 1.27,1249 0.745,1250 0.637,1251 1.099,1252 1.047,1253 0.218,1254 1.078,1255 3.611,1257 4.92,1258 2.398,1259 6.409,1260 4.443,1261 7.988,1262 6.26,1263 9.62,1265 8.917,1271 2.88,1272 3.347,1275 0.6,1280 22.311,1281 47.42,1282 109.42,1283 159.111,1284 159.111,1285 159.111,1286 159.111,1287 21.233,1288 5.883,1289 24.39,1290 24.39,1291 11,1292 11.879,1293 3,1294 2.322,1295 28.368,1296 44,1297 37,1298 0.33,1299 141.748,1300 243.88,1301 337.625,1302 2037,1304 12.414,1305 0.73,1306 0.665,1307 12.414,1308 11.301,1309 8.075,1310 0.449,1311 0.358,1312 6.41,1313 7.935,1314 6.035,1315 5.123,1316 8.075,1317 6.449,1318 7.48,1319 0.299,1320 0.209,1321 7.48,1322 5.22,1323 5.834,1324 0.188,1325 0.112,1326 5.834,1327 3.473,1328 4.602,1329 0.121,1330 0.062,1331 4.602,1332 2.372,1333 3.291,1334 0.078,1335 0.037,1336 3.291,1337 1.536,1338 0.497,1339 49.361,1340 0.296,1341 16.99,1342 0.965,1343 86,1344 169.978,1345 89.497,1346 173.138,1347 244.65,1348 164,1349 99,1350 183.803,1351 102.358,1352 192.265,1353 276.56,1354 180,1355 6.86} {0 CHEMBL30831,1 1.387,2 16.316,3 5.502,4 30.268,5 156.931,6 6.72,7 0.512,8 4.419,9 4.546,10 3.922,11 3.947,12 5.367,13 3.911,14 5.008,15 5.206,16 4.268,17 4.36,18 5.879,19 4.307,20 5.267,21 5.482,22 4.347,23 4.571,24 6.1,25 4.472,26 5.356,27 5.599,28 4.261,29 4.603,30 6.108,31 4.457,32 5.379,33 5.647,34 4.248,35 4.553,36 6.129,37 4.409,38 5.277,39 5.514,40 4.177,41 4.463,42 6.067,43 4.333,44 5.213,45 5.453,46 4.065,47 4.361,48 6.009,49 4.232,50 5.128,51 5.377,52 3.939,53 4.272,54 5.925,55 4.124,56 0.066,57 1.103,58 17.765,59 7.196,60 10.981,61 10.059,62 0.351,63 1.861,64 34.047,65 11.302,66 27.491,67 16.419,68 0.577,69 2.295,70 44.343,71 16.255,72 40.207,73 23.008,74 0.273,75 2.415,76 47.798,77 19.308,78 35.091,79 27.573,80 0.439,81 2.386,82 49.901,83 19.052,84 45.164,85 27.528,86 0.361,87 2.141,88 45.022,89 17.133,90 39.957,91 23.98,92 0.431,93 1.989,94 42.772,95 15.338,96 40.481,97 21.536,98 0.571,99 1.81,100 39.375,101 14.42,102 42.333,103 20.41,104 5,105 60,106 0.213,107 0.445,108 0.594,109 0.688,110 0.697,111 0.697,112 3.668,113 0.964,114 -4.81,115 -4.72,116 -4.43,119 42.1,124 2,125 10,140 12,141 4,142 4,169 14,172 8,178 18,181 3,182 10,189 16,193 6,199 6,202 2,203 14,211 2,215 12,226 6,233 4,236 4,237 6,244 8,249 2,256 8,259 2728,260 26.308,261 26.308,262 26.308,263 26.308,264 26.308,265 23.839,266 33.602,267 15.588,268 27.04,269 21.267,270 21.267,271 21.267,272 21.267,273 21.267,274 17.458,275 48.018,276 7.446,277 22.417,278 4.861,279 3.345,280 2.375,281 1.757,282 1.704,283 1.704,284 4.39,289 1,290 1392,291 3.162,295 654.894,299 358.717,302 2.194,303 18.774,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 80,315 620,316 4.558,317 3.29,318 6.702,319 4.122,320 3.147,321 4.479,322 0.86,323 10.889,324 3.076,325 4.557,326 3.287,327 6.702,328 4.122,329 3.146,330 4.479,331 0.86,332 10.889,333 3.076,334 3.84,335 2.94,336 5.798,337 3.568,338 2.629,339 3.205,340 0.8,341 7.965,342 2.463,343 3.831,344 2.89,345 5.797,346 3.561,347 2.621,348 3.196,349 0.8,350 7.962,351 2.46,352 3.604,353 2.714,354 5.267,355 3.284,356 2.359,357 2.935,358 0.8,359 6.69,360 2.177,361 3.582,362 2.665,363 5.247,364 3.249,365 2.318,366 2.925,367 0.8,368 6.638,369 2.153,370 3.339,371 2.441,372 5.045,373 3.099,374 2.163,375 2.416,377 6.041,378 2.023,379 3.339,380 2.408,381 5.044,382 3.082,383 2.141,384 2.416,386 6.04,387 2.012,388 2.937,389 1.781,390 4.581,391 2.519,392 1.551,393 2.13,395 4.487,396 1.497,397 2.926,398 1.665,399 4.581,400 2.514,401 1.548,402 2.119,404 4.484,405 1.491,406 2.784,407 1.664,408 3.991,409 2.458,410 1.504,411 1.837,413 3.406,414 1.43,415 2.78,416 1.464,417 3.985,418 2.403,419 1.414,420 1.834,422 3.346,423 1.394,424 2.52,425 1.401,426 3.615,427 2.288,428 1.327,429 1.522,431 2.97,432 1.261,433 2.245,434 1.146,435 3.414,436 1.967,437 1,438 1.153,440 2.275,441 0.965,442 2.21,443 1.146,444 3.414,445 1.967,446 1,447 1.107,449 2.275,450 0.965,451 18.267,452 0.481,453 0.794,454 0.021,455 47.5,456 1.25,457 22,458 0.579,459 25.5,460 0.671,461 35.787,462 0.942,463 41.133,464 0.541,465 37.404,466 0.984,467 9.441,468 0.248,469 9.195,470 0.242,471 0.055,473 0.307,479 0.921,480 1.482,481 0.866,482 1.197,483 0.871,484 1.05,485 1.621,486 0.967,487 1.028,488 0.825,489 1.074,490 0.842,491 1.294,492 0.917,493 1.108,494 0.952,495 1.1,496 0.998,497 0.697,498 1.144,499 0.995,500 1.163,501 0.854,502 1.12,503 0.718,504 0.934,505 0.867,506 0.975,507 0.783,508 0.941,509 1.297,510 1.114,511 1.055,512 1.134,513 1.311,514 1.09,515 1.644,516 1.065,517 1.143,518 1.072,519 1.595,520 1.068,521 1.232,522 0.946,523 1.11,524 1.046,525 1.32,526 1.072,527 6.5,528 0.165,529 4.222,530 1.875,531 2.018,532 1.028,533 0.883,534 0.458,535 0.287,536 0.256,537 27587,538 53753,539 2.192,540 50,542 38,550 1.782,551 2.111,552 3.952,553 -0.836,559 105.421,560 1.387,561 2.903,562 3.873,563 4.491,564 4.544,565 4.544,566 3.326,567 3.932,568 5.224,569 4.123,570 2898.71,571 9.168,572 51002,577 474.842,578 1.167,579 5.205,580 0.151,581 0.005,582 0.07,583 0.03,584 0.036,585 0.019,586 0.018,587 0.01,588 0.008,589 0.008,590 0.354,591 0.33,592 0.75,593 0.362,594 215.205,595 0.052,596 -0.281,597 0.099,598 -0.113,599 0.044,600 -0.022,601 -0.206,602 0.193,603 -0.001,604 0.145,605 0.001,606 0.108,607 -0.041,608 0.156,609 -0.104,610 0.046,611 -0.009,612 -0.021,613 0.02,614 -0.158,615 -0.041,616 -0.133,617 -0.002,618 -0.1,619 0.139,620 0.025,621 0.109,622 0.019,623 0.162,624 0.058,625 -0.051,626 -0.15,627 -0.056,628 -0.127,629 -0.076,630 -0.098,631 -0.155,632 -0.097,633 -0.118,634 -0.09,635 -0.206,636 -0.101,637 0.11,638 0.015,639 -0.097,640 -0.063,641 -0.015,642 -0.097,643 1,644 2.647,645 0.842,646 44.62,647 0.988,648 1.125,649 3.575,650 12.781,651 0.656,652 3.784,653 4.111,654 4.407,655 4.691,656 4.997,657 5.056,658 5.198,659 5.313,660 5.407,661 5.425,662 9.304,663 0.611,664 510.74,665 3.784,666 5.333,667 6.192,668 7.072,669 7.949,670 8.835,671 9.719,672 10.607,673 11.494,674 12.384,675 5.3,678 2,681 2,687 4,688 12,693 4,695 22,709 2,712 2,714 76,716 22,717 4,718 43,720 81,721 32,722 20,723 8,724 12,730 6,731 8,745 20,746 12,764 38,765 6,767 6,773 4,777 0.667,778 2,793 6,797 2,815 2,819 4,823 2,827 38,833 10,835 2,838 4,847 2.6,852 2,854 18,855 14.133,856 8.25,857 4.717,858 4.62,859 1.507,860 1.013,861 7.702,862 13.723,863 4.007,864 4.605,865 5.226,866 5.849,867 6.472,868 6.778,869 7.179,870 7.539,871 7.884,872 7.861,873 0.909,874 63,875 14.097,877 5.94,878 7.377,879 28.159,881 23.721,883 1.877,884 71.333,888 447.302,889 182.83,890 12.497,892 22,895 182.83,896 469.302,897 12.497,898 16.793,899 26.03,900 113.715,902 60.789,904 447.302,906 447.302,907 195.328,908 22,911 447.302,912 22,915 32.279,916 163.049,919 447.302,920 34.497,921 182.83,924 447.302,925 52.323,926 143.005,928 22,929 447.302,930 34.497,931 182.83,933 0.58,934 0.339,935 0.187,936 0.112,937 30,938 12,939 0.086,940 7,941 2,942 1.125,943 4.992,944 374.668,945 0.125,946 32,947 153.421,951 25.447,952 11.502,953 5.792,954 4.998,955 34.497,956 25.948,961 4.367,964 664.629,965 54,975 75.083,976 85.47,977 0.222,978 0.465,979 0.62,980 0.719,981 0.727,982 0.727,983 5.255,984 2.141,985 6.163,986 6.041,987 4.796,988 5.293,989 2.054,990 6.967,991 4.702,992 6.437,993 1.551,994 7.711,995 6.04,996 4.29,997 5.075,998 0.931,999 7.847,1000 4.141,1001 7.734,1002 1.548,1003 9.359,1004 4.487,1005 6.378,1006 7.513,1007 1.616,1008 10.966,1009 6.207,1010 9.069,1011 1.504,1012 11.069,1013 4.484,1014 6.711,1015 8.189,1016 0.801,1017 12.719,1018 6.501,1019 10.441,1020 1.414,1021 12.82,1022 3.406,1023 8.238,1024 10.092,1025 1.308,1026 15.354,1027 8.01,1028 11.839,1029 1.327,1030 14.602,1031 3.346,1032 8.978,1033 11.203,1034 0.602,1035 17.476,1036 8.729,1037 13.26,1038 1,1039 16.405,1040 2.97,1041 10.269,1042 12.878,1043 1.055,1044 19.949,1045 10.002,1046 3.147,1047 1,1048 18.227,1049 2.275,1050 11.214,1051 14.2,1052 0.428,1053 22.226,1054 10.932,1055 3.146,1056 10.889,1057 20.062,1058 2.275,1059 12.405,1060 15.776,1061 0.84,1062 24.643,1063 12.108,1064 2.629,1065 10.889,1066 21.909,1067 4.479,1068 13.451,1069 17.195,1070 0.295,1071 26.984,1072 13.14,1073 2.621,1074 7.965,1075 23.766,1076 4.479,1077 14.605,1078 18.727,1079 0.657,1080 29.381,1081 14.278,1082 2.359,1083 7.962,1084 25.63,1085 3.205,1086 15.7,1087 20.19,1088 0.199,1089 31.748,1090 15.358,1091 2.318,1092 6.69,1093 27.5,1094 3.196,1095 16.841,1096 21.704,1097 0.507,1098 34.139,1099 16.483,1100 2.163,1101 6.638,1102 29.375,1103 2.935,1104 17.959,1105 23.187,1106 0.132,1107 36.518,1108 17.585,1109 25030,1110 35126,1111 29.819,1112 49.876,1113 64.239,1114 64.448,1115 65.432,1116 64.037,1117 63.99,1118 80.601,1119 9.84,1120 182.995,1121 60.951,1122 5.558,1123 5.29,1124 6.385,1125 5.224,1126 5.147,1127 7.479,1128 1.72,1129 18.043,1130 5.076,1131 12.785,1132 1.494,1133 1.499,1134 1.522,1135 1.489,1136 1.488,1137 1.874,1138 0.229,1139 4.256,1140 1.417,1141 4.128,1142 4.153,1143 4.083,1144 4.068,1145 4.972,1146 4.069,1147 4.077,1148 4.1,1149 4.037,1150 4.028,1151 4.905,1152 4.028,1153 3.798,1154 3.869,1155 3.683,1156 3.605,1157 4.626,1158 3.615,1159 3.784,1160 3.857,1161 3.667,1162 3.589,1163 4.499,1164 3.598,1165 3.594,1166 3.626,1167 3.492,1168 3.424,1169 4.371,1170 3.433,1171 3.47,1172 3.506,1173 3.386,1174 3.366,1175 4.338,1176 3.364,1177 3.335,1178 3.396,1179 3.195,1180 3.184,1181 4.126,1182 3.178,1183 3.206,1184 3.299,1185 3.062,1186 3.009,1187 4,1188 3.01,1189 0.106,1190 0.077,1191 0.156,1192 0.096,1193 0.073,1194 4.558,1195 0.104,1196 3.29,1197 0.02,1198 6.702,1199 0.253,1200 4.122,1201 0.072,1202 3.147,1203 4.479,1204 0.86,1205 10.889,1206 3.076,1207 2.075,1208 2.057,1209 2.152,1210 2.151,1211 1.35,1212 2.153,1213 2.072,1214 2.054,1215 2.149,1216 2.145,1217 1.349,1218 2.148,1219 1.747,1220 1.676,1221 1.96,1222 1.967,1223 1.218,1224 1.971,1225 1.745,1226 1.673,1227 1.958,1228 1.961,1229 1.215,1230 1.966,1231 1.537,1232 1.502,1233 1.749,1234 1.756,1235 0.976,1236 1.752,1237 1.458,1238 1.424,1239 1.627,1240 1.597,1241 0.825,1242 1.607,1243 1.337,1244 1.28,1245 1.583,1246 1.516,1247 0.825,1248 1.542,1249 1.187,1250 1.099,1251 1.533,1252 1.45,1253 0.701,1254 1.481,1255 4.466,1257 5.79,1259 7.319,1261 8.943,1263 10.617,1265 4.387,1271 9.582,1273 12.294,1276 9.758,1280 46.471,1281 105.421,1282 220.592,1283 294.313,1284 341.333,1285 345.333,1286 345.333,1287 48.259,1288 9.104,1289 31.42,1290 31.42,1291 36,1292 12.914,1293 4.524,1294 3.585,1295 53.465,1296 221,1297 194,1298 0.117,1299 279.261,1300 479.58,1301 673.156,1302 160304,1304 25.899,1305 0.682,1306 0.595,1307 25.899,1308 22.605,1309 18.636,1310 0.433,1311 0.321,1312 13.625,1313 17.941,1314 13.263,1315 10.922,1316 18.636,1317 13.821,1318 16.72,1319 0.279,1320 0.177,1321 16.72,1322 10.598,1323 14.445,1324 0.178,1325 0.098,1326 14.445,1327 7.97,1328 12.132,1329 0.112,1330 0.052,1331 12.132,1332 5.615,1333 10.777,1334 0.073,1335 0.029,1336 10.777,1337 4.255,1338 0.191,1339 116.177,1340 0.183,1341 35.096,1342 0.3,1343 206,1344 488.052,1345 221.412,1346 471.233,1347 667.9,1348 450,1349 244,1350 504.064,1351 261.19,1352 512.903,1353 755.4,1354 484,1355 8.767} {0 CHEMBL308347,1 1.266,2 7.955,3 4.702,4 22.107,5 92.304,6 6.287,7 0.417,8 3.905,9 4.048,10 3.336,11 3.47,12 4.85,13 3.404,14 4.501,15 4.716,16 3.671,17 3.895,18 5.281,19 3.794,20 4.796,21 5.053,22 3.778,23 4.074,24 5.543,25 3.944,26 4.885,27 5.143,28 3.779,29 4.148,30 5.648,31 3.998,32 4.973,33 5.25,34 3.676,35 4.162,36 5.678,37 3.97,38 4.996,39 5.309,40 3.534,41 4.061,42 5.702,43 3.846,44 4.82,45 5.144,46 3.307,47 3.868,48 5.533,49 3.647,50 4.515,51 4.812,52 3.098,53 3.634,54 5.287,55 3.429,56 0.056,57 0.681,58 11.234,59 4.554,60 9.933,61 6.663,62 0.13,63 1.135,64 20.499,65 7.802,66 11.519,67 11.652,68 0.186,69 1.434,70 27.483,71 10.218,72 20.789,73 15.4,74 0.224,75 1.552,76 30.015,77 11.477,78 24.603,79 17.081,80 0.176,81 1.609,82 32.347,83 12.984,84 24.507,85 19.151,86 0.244,87 1.57,88 33.234,89 12.474,90 33.249,91 18.76,92 0.222,93 1.292,94 27.822,95 10.379,96 31.118,97 15.611,98 0.136,99 0.985,100 20.456,101 7.749,102 20.709,103 11.633,104 24,105 33,106 0.218,107 0.547,108 0.755,109 0.797,110 0.797,111 0.797,112 3.148,113 1.068,114 -4.48,115 -4.4,116 -4.15,119 40.4,120 2,121 5,125 2,127 1,140 2,141 4,149 1,150 1,156 1,169 10,172 5,176 3,178 11,182 5,186 2,189 11,193 3,195 1,197 2,199 10,203 5,208 1,211 11,215 3,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 6,249 2,254 2,256 2,259 602,260 15.386,261 15.386,262 15.386,263 15.386,264 15.386,265 14.145,266 16.88,267 9.213,268 15.561,269 11.722,270 11.722,271 11.722,272 11.722,273 11.722,274 9.686,275 19.123,276 4.082,277 12.027,278 4.289,279 2.378,280 1.171,281 0.926,282 0.926,283 0.926,284 3.83,288 1,289 1,290 369,291 3.317,294 40.473,295 85.808,298 68.667,299 73.354,302 1.149,303 11.377,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45.5,315 175,316 4.695,317 4.075,318 6.919,319 4.257,320 3.266,321 4.654,322 2.035,323 11.66,324 3.237,325 3.986,326 3.359,327 6.165,328 3.779,329 2.827,330 3.379,331 0.8,332 9.131,333 2.696,334 3.727,335 3.033,336 5.828,337 3.435,338 2.459,339 2.878,341 7.946,342 2.392,343 3.559,344 2.636,345 5.112,346 2.959,347 1.981,348 2.736,350 5.898,351 1.934,352 3.141,353 2.026,354 4.648,355 2.634,356 1.65,357 2.144,359 4.678,360 1.623,361 2.738,362 1.86,363 4.408,364 2.569,365 1.584,366 1.681,368 4.221,369 1.557,370 2.672,371 1.685,372 3.701,373 2.237,374 1.247,375 1.334,377 2.165,378 1.233,379 2.247,380 1.298,381 3.315,382 1.857,383 0.887,384 1.247,386 2.117,387 0.858,388 2.202,389 0.924,390 3.247,391 1.8,392 0.834,393 0.959,395 1.91,396 0.805,397 1.993,398 0.901,399 2.867,400 1.607,401 0.629,402 0.712,404 0.998,405 0.614,406 1.65,407 0.702,408 2.695,409 1.258,410 0.314,411 0.538,413 0.488,414 0.295,415 0.892,416 -0.03,417 2.523,418 0.637,419 -0.349,420 -0.401,422 -0.632,423 -0.343,424 0.808,425 -0.219,426 2.252,427 0.521,428 -0.445,429 -0.445,431 -0.832,432 -0.428,433 0.555,434 -0.287,435 2.163,436 0.372,437 -0.605,438 -0.767,440 -1.477,441 -0.59,442 0.289,443 -0.664,444 2,445 0.044,446 -0.944,447 -1.059,449 -1.874,450 -0.93,451 10.7,452 0.486,453 0.393,454 0.018,455 24.5,456 1.114,457 11,458 0.5,459 13.5,460 0.614,461 22.061,462 1.003,463 24.1,464 0.513,465 14.322,466 0.651,467 4.103,468 0.187,469 6.675,470 0.303,471 0.131,473 0.318,479 0.939,480 1.324,481 0.971,482 1.146,483 0.479,484 1.075,485 1.114,486 1.104,487 0.973,488 1.003,489 0.398,490 0.982,491 1.083,492 0.991,493 0.927,494 0.922,495 0.44,496 0.915,497 1.005,498 1,499 1.041,500 1.03,501 0.668,502 1.037,503 0.66,504 1.126,505 1.015,506 1.148,507 0.665,508 1.115,509 0.777,510 0.953,511 0.923,512 0.971,513 0.911,514 0.96,515 0.845,516 0.796,517 0.896,518 0.86,519 1.075,520 0.878,521 0.921,522 1.003,523 1.027,524 1.04,525 1.102,526 1.042,527 3.5,529 2.667,530 1.41,531 1.223,532 0.722,533 0.517,534 0.314,535 0.177,536 0.121,537 4315,538 8297,539 2.07,540 53.2,541 8,542 7,543 1,545 1,547 8,550 1.652,551 1.941,552 3.013,553 -0.399,559 59.504,560 1.266,561 3.177,562 4.384,563 4.629,564 4.629,565 4.629,566 2.431,567 3.914,568 4.429,569 3.128,570 722.647,571 7.644,572 7766.53,574 1,577 261.066,578 1.395,579 4.392,580 0.146,582 0.081,583 0.039,584 0.035,585 0.024,586 0.021,587 0.016,588 0.011,589 0.012,590 0.384,591 0.67,592 1,593 1.504,594 99.107,595 0.033,596 -0.098,597 0.057,598 -0.011,599 0.12,600 0.019,601 -0.044,602 0.01,603 0.039,604 0.044,605 0.036,606 0.047,607 -0.031,608 0.044,609 0.069,610 0.08,611 0.091,612 0.081,613 -0.02,614 0.028,615 -0.053,616 -0.022,617 0.061,618 -0.037,619 0.032,620 -0.174,621 -0.06,622 -0.135,623 0.03,624 -0.11,625 0.097,626 -0.045,627 0.036,628 -0.017,629 0.005,630 0.001,631 0.058,632 0.1,633 0.063,634 0.082,635 -0.038,636 0.074,637 -0.049,638 -0.067,639 -0.065,640 -0.069,641 -0.086,642 -0.068,643 0.87,644 3.389,645 0.591,646 15.636,647 0.979,648 1.129,649 3.247,650 10.543,651 0.647,652 3.219,653 3.526,654 3.871,655 4.19,656 4.431,657 4.554,658 4.71,659 4.86,660 4.883,661 4.796,662 4.969,663 0.593,664 295.47,665 3.219,666 4.745,667 5.617,668 6.512,669 7.41,670 8.317,671 9.225,672 10.136,673 11.048,674 11.962,675 6.4,678 1,683 1,684 1,687 2,688 3,690 1,693 3,695 10,697 1,714 47,716 11,717 1,718 24,720 49,721 19,722 8,723 4,724 2,730 3,731 6,736 2,740 4,743 6,744 1,745 8,746 10,764 25,765 2,766 1,767 3,773 3,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 22,833 7,837 1,838 1,840 1,843 1,845 1,854 11.333,855 8.983,856 5.139,857 3.469,858 2.334,859 1.329,860 0.973,861 4.616,862 9.431,863 3.466,864 4.012,865 4.681,866 5.329,867 5.864,868 6.266,869 6.634,870 7.046,871 7.169,872 7.311,873 1,874 36,875 8.161,877 3.389,878 7.462,879 16.37,881 13.829,883 1.962,884 43.167,885 0.001,887 1,888 282.506,889 93.41,890 50.969,895 93.41,896 282.506,897 50.969,898 17.65,899 16.884,900 28,901 16.602,902 63.099,903 13.915,904 270.735,906 282.506,907 144.379,911 188.338,912 94.169,915 85.504,916 58.875,919 282.506,920 50.969,921 93.41,924 282.506,925 31.158,926 48.775,927 33.387,928 31.059,929 282.506,930 50.969,931 93.41,933 0.558,934 0.35,935 0.211,936 0.118,937 16,938 7,939 0.102,940 5,941 2,942 1.308,943 3.325,944 177.038,945 0.308,946 13,947 92.107,951 15.279,952 6.647,953 2.85,954 2.27,955 34.184,956 6.227,958 3.247,961 3.64,963 16.786,964 426.886,965 31,975 46.025,976 53.062,977 0.228,978 0.572,979 0.789,980 0.833,981 0.833,982 0.833,983 4.714,984 0.887,985 5.595,986 2.165,987 4.205,988 4.696,989 2.326,990 6.454,991 4.157,992 5.91,993 0.834,994 7.177,995 2.117,996 3.761,997 4.543,998 0.325,999 7.469,1000 3.693,1001 7.224,1002 0.629,1003 8.866,1004 1.91,1005 5.826,1006 6.945,1007 3.576,1008 10.612,1009 5.735,1010 8.58,1011 0.314,1012 10.618,1013 0.998,1014 6.275,1015 7.75,1016 0.268,1017 12.484,1018 6.168,1019 9.976,1020 -0.349,1021 12.412,1022 0.488,1023 7.769,1024 9.596,1025 4.964,1026 15.144,1027 7.646,1028 11.4,1029 -0.445,1030 14.233,1031 -0.632,1032 8.618,1033 10.821,1034 0.188,1035 17.356,1036 8.486,1037 12.847,1038 -0.605,1039 16.074,1040 -0.832,1041 9.896,1042 12.469,1043 6.378,1044 19.865,1045 9.753,1046 3.266,1047 -0.944,1048 17.93,1049 -1.477,1050 10.924,1051 13.877,1052 0.125,1053 22.217,1054 10.775,1055 2.827,1056 11.66,1057 19.798,1058 -1.874,1059 12.124,1060 15.453,1061 7.797,1062 24.68,1063 11.967,1064 2.459,1065 9.131,1066 21.675,1067 4.654,1068 13.23,1069 16.937,1070 0.082,1071 27.089,1072 13.068,1073 1.981,1074 7.946,1075 23.56,1076 3.379,1077 14.404,1078 18.488,1079 9.217,1080 29.541,1081 14.237,1082 1.65,1083 5.898,1084 25.452,1085 2.878,1086 15.545,1087 20.003,1088 0.054,1089 31.974,1090 15.374,1091 1.584,1092 4.678,1093 27.349,1094 2.736,1095 16.714,1096 21.545,1097 10.638,1098 34.425,1099 16.538,1100 1.247,1101 4.221,1102 29.251,1103 2.144,1104 17.872,1105 23.073,1106 0.035,1107 36.87,1108 17.692,1109 4344,1110 6169,1111 16.008,1112 30.393,1113 36.805,1114 38.298,1115 37.418,1116 35.334,1117 35.357,1118 44.524,1119 5.669,1120 102.423,1121 34.489,1122 5.641,1123 6.075,1124 6.721,1125 5.272,1126 5.266,1127 7.654,1128 4.069,1129 18.941,1130 5.237,1131 10.309,1132 1.534,1133 1.596,1134 1.559,1135 1.472,1136 1.473,1137 1.855,1138 0.236,1139 4.268,1140 1.437,1141 4.163,1142 4.194,1143 4.125,1144 4.092,1145 6.82,1146 4.097,1147 3.821,1148 3.888,1149 3.712,1150 3.667,1151 4.927,1152 3.669,1153 3.617,1154 3.682,1155 3.486,1156 3.484,1157 4.383,1158 3.475,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.231,1164 3.32,1165 3.336,1166 3.391,1167 3.234,1168 3.226,1169 4.04,1170 3.219,1171 3.108,1172 3.195,1173 3.003,1174 2.913,1175 3.939,1176 2.913,1177 3.032,1178 3.119,1179 2.845,1180 2.848,1181 3.64,1182 2.846,1183 2.958,1184 3.057,1185 2.757,1186 2.721,1187 3.537,1188 2.723,1189 0.196,1190 0.17,1191 0.288,1192 0.177,1193 0.136,1194 4.695,1195 0.194,1196 4.075,1197 0.085,1198 6.919,1199 0.486,1200 4.257,1201 0.135,1202 3.266,1203 4.654,1204 2.035,1205 11.66,1206 3.237,1207 2.031,1208 2.008,1209 2.139,1210 2.115,1211 1.478,1212 2.125,1213 1.74,1214 1.675,1215 1.965,1216 1.925,1217 1.232,1218 1.94,1219 1.553,1220 1.503,1221 1.861,1222 1.757,1223 1.09,1224 1.785,1225 1.539,1226 1.464,1227 1.751,1228 1.738,1229 0.991,1230 1.754,1231 1.52,1232 1.459,1233 1.646,1234 1.654,1235 0.778,1236 1.666,1237 1.177,1238 1.1,1239 1.484,1240 1.4,1241 0.639,1242 1.434,1243 0.993,1244 0.898,1245 1.371,1246 1.247,1247 0.544,1248 1.295,1249 0.942,1250 0.858,1251 1.24,1252 1.189,1253 0.403,1254 1.185,1255 3.892,1257 5.198,1258 2.398,1259 6.727,1260 4.727,1261 8.367,1262 6.843,1263 10.066,1265 4.523,1271 8.242,1275 0.624,1276 2.653,1278 9.389,1279 2.35,1280 27.859,1281 59.504,1282 149.317,1283 206.046,1284 217.556,1285 217.556,1286 217.556,1287 31.653,1288 7.098,1289 42.82,1290 42.82,1291 17,1292 12.475,1293 3.585,1294 3,1295 34.227,1296 65,1297 66,1298 0.268,1299 173.663,1300 295.54,1301 415.498,1302 9950,1304 15.527,1305 0.706,1306 0.621,1307 15.527,1308 13.654,1309 10.779,1310 0.449,1311 0.356,1312 8.485,1313 10.567,1314 8.223,1315 6.886,1316 10.779,1317 8.54,1318 8.995,1319 0.273,1320 0.193,1321 8.995,1322 6.373,1323 7.998,1324 0.17,1325 0.104,1326 7.998,1327 4.896,1328 7.056,1329 0.109,1330 0.06,1331 7.056,1332 3.919,1333 5.799,1334 0.07,1335 0.035,1336 5.799,1337 2.918,1338 0.403,1339 66.055,1340 0.25,1341 21.151,1342 0.789,1343 114,1344 237.623,1345 118.829,1346 242.133,1347 341.19,1348 228,1349 137,1350 257.845,1351 142.495,1352 265.947,1353 390.86,1354 252,1355 8.174} {0 CHEMBL308727,1 1.233,2 7.25,3 2.747,4 7.545,5 67.735,6 6.01,7 0.353,8 3.628,9 3.777,10 3.014,11 3.177,12 4.544,13 3.102,14 4.196,15 4.421,16 3.359,17 3.58,18 5.023,19 3.477,20 4.424,21 4.658,22 3.234,23 3.719,24 5.241,25 3.549,26 4.551,27 4.859,28 3.086,29 3.657,30 5.23,31 3.433,32 4.375,33 4.692,34 2.898,35 3.435,36 5.063,37 3.219,38 4.043,39 4.346,40 2.637,41 3.162,42 4.68,43 2.959,44 3.774,45 4.043,46 2.376,47 2.963,48 4.407,49 2.746,50 3.833,51 4.183,52 2.43,53 2.763,54 4.462,55 2.568,56 0.046,57 0.511,58 8.805,59 3.512,60 6.565,61 5.206,62 0.123,63 0.826,64 15.321,65 5.838,66 12.41,67 8.725,68 0.125,69 0.982,70 18.982,71 7.361,72 18.876,73 10.99,74 0.107,75 0.976,76 20.514,77 8.37,78 20.214,79 12.332,80 0.114,81 0.813,82 17.304,83 6.451,84 18.337,85 9.805,86 0.083,87 0.595,88 12.437,89 4.698,90 10.128,91 7.097,92 0.046,93 0.466,94 9.47,95 3.92,96 6.501,97 5.747,98 0.07,99 0.451,100 9.914,101 3.271,102 10.465,103 5.236,104 11,105 24,106 0.23,107 0.543,108 0.678,109 0.699,110 0.72,111 0.72,112 2.851,113 1.045,114 -4.33,115 -4.27,116 -4.03,119 38.9,120 3,121 1,123 1,125 2,140 4,141 2,156 1,169 11,172 1,174 1,176 1,178 16,182 1,186 1,189 13,193 2,197 2,199 8,203 2,208 2,211 4,215 1,220 1,222 3,226 1,231 1,237 3,242 3,259 236,260 10.334,261 10.334,262 10.334,263 10.334,264 10.334,265 9.364,266 15.698,267 6.087,268 10.469,269 8.407,270 8.407,271 8.407,272 8.407,273 8.407,274 6.943,275 17.766,276 2.912,277 8.622,278 3.937,279 2.26,280 1.536,281 1.425,282 1.313,283 1.313,284 3.495,288 1,289 1,290 240,291 2.915,294 47.403,295 52.7,302 1.375,303 7.613,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 33,315 116,316 4.44,317 3.539,318 7.111,319 4.314,320 3.314,321 3.839,322 1.505,323 11.657,324 3.313,325 3.978,326 3.208,327 5.587,328 3.642,329 2.674,330 3.281,331 0.368,332 7.713,333 2.598,334 3.652,335 2.533,336 5.081,337 3.238,338 2.276,339 2.94,340 0.265,341 6.229,342 2.177,343 2.919,344 1.712,345 4.563,346 2.601,347 1.607,348 2.026,350 4.638,351 1.597,352 2.5,353 1.401,354 3.427,355 2.111,356 1.144,357 1.5,359 2.545,360 1.103,361 2.233,362 1.09,363 3.414,364 2,365 1,366 1.206,368 2.275,369 1,370 1.769,371 1,372 3,373 1.518,374 0.618,375 0.666,377 1.372,378 0.556,379 1.225,380 0.335,381 2.863,382 0.959,383 -0.027,384 -0.032,386 -0.071,387 -0.027,388 0.53,389 -0.453,390 2.5,391 0.226,392 -0.763,393 -0.906,395 -1.923,396 -0.755,397 0.5,398 -1,399 2,401 -1,402 -1,404 -3,405 -1,407 -1,408 2,410 -1,411 -1,413 -3,414 -1,416 -1,417 2,419 -1,420 -1.5,422 -3,423 -1,424 -0.298,425 -1.046,426 1.518,427 -0.504,428 -1.48,429 -1.556,431 -3.422,432 -1.435,433 -0.429,434 -1.105,435 1,436 -0.718,437 -1.618,438 -1.828,440 -4.372,441 -1.456,442 -0.5,443 -1.464,444 0.964,445 -0.779,446 -1.766,447 -2.209,448 -0.199,449 -5.275,450 -1.738,451 7.8,452 0.488,453 0.531,454 0.033,455 17,456 1.063,457 7.5,458 0.469,459 9.5,460 0.594,461 13.828,462 0.864,463 18,464 0.5,465 9.247,466 0.578,467 3.09,468 0.193,469 4.465,470 0.279,471 0.192,472 0.064,473 0.192,479 1.023,480 1.347,481 1.038,482 1.184,483 1.204,484 1.125,485 1.012,486 0.978,487 0.913,488 0.923,489 0.844,490 0.913,491 1.341,492 1.181,493 1.356,494 1.278,495 1.435,496 1.312,497 0.462,498 1.012,499 0.882,500 1.03,501 0.699,502 0.993,503 0.868,504 0.945,505 0.895,506 0.924,507 0.993,508 0.914,509 0.976,510 0.925,511 0.972,512 0.949,513 0.974,514 0.958,515 0.573,516 1.309,517 1.167,518 1.357,519 0.905,520 1.312,521 0.739,522 0.991,523 0.553,524 0.717,525 0.363,526 0.639,527 4.5,529 1.778,530 0.972,531 0.497,532 0.41,533 0.191,534 0.202,535 0.117,536 0.074,537 2002,538 3552,539 1.979,540 55.6,541 9,542 8,545 1,546 2,550 1.544,551 1.829,552 2.864,553 -0.352,555 1,556 1,557 1,559 44.376,560 1.233,561 2.91,562 3.634,563 3.745,564 3.856,565 3.856,566 2.258,567 3.031,568 3.973,569 3.034,570 364.104,571 6.656,572 3181.51,574 1,576 1,577 186.117,578 1.623,579 3.903,580 0.265,582 0.074,583 0.051,584 0.031,585 0.032,586 0.019,587 0.029,588 0.015,589 0.012,590 0.528,591 0.83,592 1,593 0.953,594 65.137,595 0.024,596 -0.088,597 0.043,598 -0.014,599 -0.163,600 0.011,601 0.153,602 0.155,603 0.128,604 0.135,605 0.194,606 0.131,607 -0.298,608 -0.086,609 -0.345,610 -0.235,611 -0.336,612 -0.283,613 0.11,614 -0.117,615 0.044,616 -0.044,617 0.124,618 -0.011,619 0.033,620 -0.037,621 0.052,622 0.015,623 -0.006,624 0.031,625 -0.054,626 0.016,627 -0.014,628 0.008,629 -0.08,630 0.001,631 0.005,632 -0.348,633 -0.222,634 -0.328,635 -0.186,636 -0.297,637 0.355,638 -0.148,639 0.391,640 0.149,641 0.586,642 0.251,643 1.012,644 1.408,645 0.688,646 10.844,647 0.977,648 1.131,649 3.102,650 9.622,651 0.635,652 2.89,653 3.219,654 3.332,655 3.466,656 3.497,657 3.555,658 3.555,659 3.497,660 3.367,661 3.219,662 4.624,663 0.577,664 216.36,665 2.89,666 4.419,667 5.22,668 6.084,669 6.905,670 7.768,671 8.594,672 9.456,673 10.285,674 11.148,675 5.6,677 1,684 1,688 4,693 2,695 6,714 36,716 7,717 1,718 17,720 37,721 14,722 6,723 2,724 4,730 2,731 2,736 3,737 1,743 1,745 7,746 7,750 1,758 1,759 1,761 1,764 20,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 3,827 16,833 3,834 1,839 1,854 8.75,855 7.283,856 3.417,857 2.206,858 1.409,859 1.245,860 0.929,861 3.109,862 7.165,863 3.091,864 3.624,865 4.03,866 4.464,867 4.86,868 4.974,869 5.167,870 5.256,871 5.183,872 5.062,873 0.8,874 19,875 5.923,877 2.389,878 7.391,879 11.827,881 9.638,883 1.891,884 30.25,885 0.007,888 223.651,889 79.826,890 34.796,895 79.826,896 223.651,897 34.796,898 26.476,899 6.746,900 55.916,901 2.328,902 23.157,904 223.651,906 223.651,907 114.622,911 223.651,915 68.018,916 46.604,919 223.651,920 34.796,921 79.826,924 223.651,925 15.445,926 64.381,927 18.011,928 16.786,929 223.651,930 34.796,931 79.826,933 0.592,934 0.311,935 0.145,936 0.065,937 12,938 5,939 0.081,940 3,942 1,943 2.857,944 102.07,946 11,947 55.245,951 11.346,952 4.384,953 2.932,955 34.796,956 8.877,961 2.721,963 18.011,964 338.273,965 21,973 4.408,974 1.128,975 35.156,976 40.733,977 0.238,978 0.563,979 0.703,980 0.724,981 0.746,982 0.746,983 4.337,984 -0.027,985 5.263,986 1.372,987 3.892,988 4.304,989 1.696,990 6.08,991 3.851,992 5.554,993 -0.763,994 6.843,995 -0.071,996 3.761,997 4.159,998 0.904,999 7.357,1000 3.734,1001 6.875,1002 -1,1003 8.547,1004 -1.923,1005 5.58,1006 6.392,1007 2.113,1008 10.266,1009 5.521,1010 8.231,1011 -1,1012 10.328,1013 -3,1014 6.236,1015 6.966,1016 1.864,1017 12.333,1018 6.194,1019 9.617,1020 -1,1021 12.159,1022 -3,1023 7.618,1024 8.747,1025 2.717,1026 14.899,1027 7.562,1028 11.022,1029 -1.48,1030 14.026,1031 -3,1032 8.587,1033 9.642,1034 2.755,1035 17.225,1036 8.545,1037 12.44,1038 -1.618,1039 15.916,1040 -3.422,1041 9.829,1042 11.225,1043 3.416,1044 19.709,1045 9.783,1046 3.314,1047 -1.766,1048 17.824,1049 -4.372,1050 10.926,1051 12.292,1052 3.615,1053 22.121,1054 10.89,1055 2.674,1056 11.657,1057 19.746,1058 -5.275,1059 12.125,1060 13.773,1061 4.169,1062 24.583,1063 12.09,1064 2.276,1065 7.713,1066 21.677,1067 3.839,1068 13.275,1069 14.942,1070 4.458,1071 27.023,1072 13.247,1073 1.607,1074 6.229,1075 23.615,1076 3.281,1077 14.465,1078 16.366,1079 4.951,1080 29.481,1081 14.439,1082 1.144,1083 4.638,1084 25.559,1085 2.94,1086 15.638,1087 17.598,1088 5.291,1089 31.931,1090 15.617,1091 1,1092 2.545,1093 27.507,1094 2.026,1095 16.827,1096 18.988,1097 5.749,1098 34.387,1099 16.809,1100 0.618,1101 2.275,1102 29.459,1103 1.5,1104 18.012,1105 20.261,1106 6.119,1107 36.841,1108 17.997,1109 2054,1110 2803,1111 10.92,1112 22.864,1113 25.687,1114 25.738,1115 24.918,1116 25.177,1117 25.264,1118 30.916,1119 4.277,1120 72.858,1121 24.691,1122 5.332,1123 5.539,1124 6.726,1125 5.32,1126 5.314,1127 6.839,1128 2.65,1129 18.535,1130 5.313,1131 7.928,1132 1.511,1133 1.514,1134 1.466,1135 1.481,1136 1.486,1137 1.819,1138 0.252,1139 4.286,1140 1.452,1141 3.992,1142 4.028,1143 3.922,1144 3.931,1145 4.799,1146 3.924,1147 3.778,1148 3.847,1149 3.683,1150 3.599,1151 4.657,1152 3.609,1153 3.568,1154 3.631,1155 3.419,1156 3.439,1157 4.224,1158 3.429,1159 3.072,1160 3.15,1161 2.882,1162 2.937,1163 3.674,1164 2.914,1165 2.874,1166 3.009,1167 2.687,1168 2.735,1169 3.609,1170 2.715,1171 2.874,1172 3.009,1173 2.499,1174 2.618,1175 3.49,1176 2.57,1177 2.854,1178 2.925,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.552,1184 2.699,1185 2.388,1186 2.391,1187 3.467,1188 2.382,1189 0.261,1190 0.208,1191 0.418,1192 0.254,1193 0.195,1194 4.44,1195 0.226,1196 3.539,1197 0.089,1198 7.111,1199 0.686,1200 4.314,1201 0.195,1202 3.314,1203 3.839,1204 1.505,1205 11.657,1206 3.313,1207 1.971,1208 1.944,1209 2.101,1210 2.05,1211 1.302,1212 2.068,1213 1.65,1214 1.595,1215 1.877,1216 1.806,1217 1.07,1218 1.832,1219 1.445,1220 1.363,1221 1.73,1222 1.681,1223 1.004,1224 1.704,1225 1.356,1226 1.286,1227 1.554,1228 1.579,1229 0.69,1230 1.576,1231 0.934,1232 0.821,1233 1.417,1234 1.239,1235 0.469,1236 1.308,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.886,1244 0.804,1245 1.181,1246 1.062,1247 0.222,1248 1.107,1249 0.797,1250 0.715,1251 1.106,1252 1.058,1253 0.218,1254 1.087,1255 3.555,1257 4.875,1258 2.398,1259 6.365,1260 4.443,1261 7.927,1262 6.26,1263 9.528,1265 6.722,1271 2.856,1272 3.3,1277 0.238,1280 20.784,1281 44.376,1282 104.759,1283 130.833,1284 134.833,1285 138.833,1286 138.833,1287 19.669,1288 5.756,1289 24.39,1290 24.39,1291 11,1292 11.703,1293 3,1294 2.322,1295 26.177,1296 45,1297 32,1298 0.302,1299 132.155,1300 226.58,1301 314.219,1302 1796,1304 11.596,1305 0.725,1306 0.649,1307 11.596,1308 10.378,1309 7.555,1310 0.444,1311 0.348,1312 5.884,1313 7.414,1314 5.559,1315 4.711,1316 7.555,1317 5.922,1318 7.47,1319 0.311,1320 0.224,1321 7.47,1322 5.379,1323 5.213,1324 0.193,1325 0.109,1326 5.213,1327 2.935,1328 3.982,1329 0.128,1330 0.061,1331 3.982,1332 1.881,1333 2.576,1334 0.08,1335 0.033,1336 2.576,1337 1.062,1338 0.467,1339 46.236,1340 0.303,1341 16.361,1342 0.835,1343 82,1344 161.978,1345 85.497,1346 165.431,1347 231.19,1348 156,1349 92,1350 171.803,1351 95.358,1352 180.607,1353 256.98,1354 168,1355 5} {0 CHEMBL309021,1 1.429,2 13.103,3 3.817,4 14.57,5 116.654,6 6.956,7 0.581,8 4.089,9 4.214,10 3.596,11 3.634,12 5.176,13 3.597,14 4.605,15 4.796,16 3.885,17 3.993,18 5.615,19 3.933,20 4.805,21 5,22 3.949,23 4.153,24 5.804,25 4.058,26 4.953,27 5.197,28 3.877,29 4.154,30 5.894,31 4.031,32 4.906,33 5.147,34 3.836,35 4.108,36 5.857,37 3.981,38 4.878,39 5.138,40 3.788,41 4.011,42 5.842,43 3.888,44 4.706,45 4.935,46 3.726,47 3.914,48 5.69,49 3.814,50 4.748,51 4.989,52 3.645,53 3.878,54 5.76,55 3.773,56 0.037,57 0.779,58 12.107,59 5.181,60 9.846,61 7.045,62 0.252,63 1.222,64 22,65 8.107,66 24.552,67 11.331,68 0.166,69 1.448,70 26.665,71 10.741,72 29.869,73 14.84,74 0.286,75 1.561,76 32.526,77 12.279,78 44.96,79 17.188,80 0.225,81 1.491,82 30.828,83 11.958,84 42.742,85 16.727,86 0.502,87 1.427,88 30.961,89 10.849,90 55.802,91 15.571,92 0.207,93 1.265,94 25.122,95 8.97,96 33.434,97 12.715,98 0.479,99 1.249,100 27.394,101 9.071,102 52.409,103 12.475,104 24,105 41,106 0.235,107 0.561,108 0.744,109 0.816,110 0.824,111 0.824,112 3.407,113 0.939,114 -4.14,115 -4.08,116 -3.86,119 42.9,121 2,124 3,125 1,140 9,141 4,142 2,143 2,156 1,169 13,172 6,174 1,176 3,178 15,182 7,186 4,189 13,193 8,197 3,199 9,203 6,208 2,211 7,214 2,215 6,218 1,220 3,222 9,226 2,233 9,236 1,237 4,240 2,244 10,249 2,256 9,259 1476,260 19.646,261 19.646,262 19.646,263 19.646,264 19.646,265 17.418,266 18.921,267 11.844,268 20.038,269 15.247,270 15.247,271 15.247,272 15.247,273 15.247,274 11.853,275 23.168,276 5.559,277 15.737,278 4.378,279 2.392,280 1.278,281 0.84,282 0.79,283 0.79,284 4.091,288 1,289 1,290 798,291 3.742,295 328.59,302 2.114,303 18.951,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.5,315 380,316 4.337,317 3.579,318 6.249,319 3.966,320 2.977,321 3.978,322 1.058,323 9.407,324 2.944,325 4.241,326 3.115,327 6.143,328 3.862,329 2.867,330 3.887,331 0.86,332 9.056,333 2.855,334 3.944,335 2.87,336 5.921,337 3.609,338 2.629,339 3.369,340 0.8,341 8.268,342 2.568,343 3.707,344 2.575,345 5.301,346 3.293,347 2.307,348 3.149,350 6.784,351 2.271,352 3.258,353 2.459,354 4.666,355 3.137,356 2.219,357 2.575,359 5.191,360 2.036,361 3.229,362 2.112,363 4.466,364 2.775,365 1.81,366 2.243,368 4.549,369 1.745,370 2.926,371 1.889,372 4.408,373 2.615,374 1.656,375 2.05,377 4.31,378 1.582,379 2.812,380 1.82,381 4.048,382 2.325,383 1.332,384 1.863,386 3.383,387 1.309,388 2.615,389 1.191,390 3.498,391 2.086,392 1.118,393 1.645,395 2.664,396 1.077,397 2.5,398 1.071,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.038,408 3.288,409 1.987,410 1,411 1.5,413 2.172,414 0.985,415 2.147,416 1,417 3.247,418 1.984,419 1,420 1.114,422 2.136,423 0.983,424 1.727,425 1,426 2.932,427 1.46,428 0.566,429 0.638,431 0.988,432 0.5,433 1.323,434 0.519,435 2.704,436 0.946,437 -0.041,438 -0.052,440 -0.095,441 -0.04,442 1.046,443 0.248,444 2.393,445 0.864,446 -0.09,447 -0.098,449 -0.187,450 -0.086,451 13.867,452 0.478,453 0.609,454 0.021,455 38.5,456 1.328,457 20.5,458 0.707,459 18,460 0.621,461 22.445,462 0.774,463 31.133,464 0.556,465 29.417,466 1.014,467 7.896,468 0.272,469 6.166,470 0.213,471 0.132,473 0.281,479 0.796,480 1.338,481 0.855,482 1.136,483 0.622,484 1.02,485 1.135,486 0.896,487 0.942,488 0.827,489 0.667,490 0.846,491 0.939,492 1.153,493 1.045,494 1.163,495 0.88,496 1.122,497 1.09,498 0.959,499 0.983,500 0.987,501 1.081,502 0.978,503 0.967,504 1.095,505 0.965,506 1.092,507 1.225,508 1.046,509 0.957,510 0.888,511 0.894,512 0.854,513 1.229,514 0.868,515 1.18,516 1.165,517 1.036,518 1.095,519 1.194,520 1.051,521 1.761,522 0.704,523 1.164,524 0.809,525 1.767,526 0.903,527 5.5,528 0.136,529 3.111,530 1.375,531 1.267,532 0.951,533 0.585,534 0.443,535 0.34,536 0.11,537 11433,538 27471,539 2.033,540 48.2,541 2,542 20,544 2,545 1,547 2,550 1.717,551 1.912,552 3.677,553 -0.405,555 1,559 80.036,560 1.429,561 3.416,562 4.53,563 4.968,564 5.017,565 5.017,566 3.142,567 4.375,568 4.825,569 3.852,570 1563.84,571 8.391,572 22253.8,574 1,576 1,577 325.212,578 1.358,579 4.792,580 0.177,581 0.006,582 0.076,583 0.033,584 0.033,585 0.026,586 0.017,587 0.014,588 0.012,589 0.004,590 0.399,591 0.5,592 1,593 1.33,594 150.407,595 -0.001,596 -0.168,597 0.051,598 -0.069,599 -0.02,600 -0.014,601 -0.066,602 0.214,603 0.027,604 0.167,605 0.05,606 0.121,607 -0.06,608 -0.108,609 -0.102,610 -0.136,611 0.003,612 -0.123,613 -0.067,615 -0.001,616 0.007,617 -0.008,618 0.012,619 -0.011,620 -0.147,621 0.008,622 -0.085,623 -0.025,624 -0.046,625 0.198,626 0.063,627 0.116,628 0.108,629 0.053,630 0.102,631 -0.068,632 -0.149,633 -0.046,634 -0.123,635 -0.055,636 -0.086,637 -0.142,638 0.282,639 -0.115,640 0.128,641 -0.141,642 0.026,643 1.793,644 5.734,645 0.621,646 34.507,647 0.992,648 1.123,649 2.907,650 8.453,651 0.662,652 3.466,653 3.738,654 3.951,655 4.143,656 4.357,657 4.382,658 4.477,659 4.5,660 4.543,661 4.564,662 7.643,663 0.622,664 389.54,665 3.466,666 4.977,667 5.796,668 6.642,669 7.48,670 8.333,671 9.179,672 10.034,673 10.884,674 11.741,675 5.4,678 1,682 1,685 1,688 11,689 1,693 6,695 18,702 1,712 1,714 56,716 19,717 2,718 31,720 58,721 24,722 17,723 5,724 7,725 1,730 3,731 3,743 2,745 18,746 6,750 1,755 1,759 1,761 1,764 27,765 5,766 1,767 5,773 3,777 1,778 2,786 1,793 3,815 1,819 3,823 3,827 29,833 3,834 1,835 1,838 1,847 3.6,850 1,852 1,854 15.167,855 10.9,856 6.583,857 3.21,858 3.186,859 1.438,860 0.963,861 7.259,862 10.461,863 3.738,864 4.284,865 4.822,866 5.347,867 5.891,868 6.038,869 6.389,870 6.624,871 6.93,872 7.231,873 0.889,874 42,875 10.695,877 4.338,878 7.644,879 20.601,881 16.201,883 2.144,884 62.167,886 1,887 1,888 306.049,889 163.679,890 37.921,892 36.145,895 163.679,896 342.193,897 37.921,898 27.676,899 25.186,900 85.286,901 70.177,902 52.962,904 282.506,906 306.049,907 201.599,908 36.145,911 282.506,912 59.687,915 46.405,916 138.409,917 16.786,919 306.049,920 74.065,921 163.679,924 306.049,925 32.622,926 134.181,927 18.011,928 52.93,929 306.049,930 74.065,931 163.679,933 0.567,934 0.32,935 0.166,936 0.091,937 17,938 8,939 0.138,940 8,942 1,943 4.138,944 236.297,946 18,947 130.881,951 20.879,952 10.082,953 5.817,955 74.065,956 20.861,957 4.04,961 5.437,963 18.011,964 543.793,965 41,970 12.734,974 -0.127,975 55.563,976 62.896,977 0.246,978 0.588,979 0.78,980 0.855,981 0.864,982 0.864,983 4.938,984 1.332,985 5.753,986 4.31,987 4.419,988 4.97,989 1.737,990 6.497,991 4.369,992 6.118,993 1.118,994 7.272,995 3.383,996 3.892,997 4.605,998 0.325,999 7.286,1000 3.83,1001 7.395,1002 1,1003 8.89,1004 2.664,1005 5.948,1006 7.092,1007 1.622,1008 10.329,1009 5.866,1010 8.709,1011 1,1012 10.568,1013 2.275,1014 6.236,1015 7.536,1016 0.268,1017 11.942,1018 6.151,1019 10.053,1020 1,1021 12.283,1022 2.172,1023 7.742,1024 9.489,1025 1.587,1026 14.477,1027 7.642,1028 11.42,1029 0.566,1030 14.025,1031 2.136,1032 8.417,1033 10.329,1034 0.188,1035 16.425,1036 8.317,1037 12.804,1038 -0.041,1039 15.785,1040 0.988,1041 9.681,1042 12.024,1043 1.592,1044 18.771,1045 9.569,1046 2.977,1047 -0.09,1048 17.558,1049 -0.095,1050 10.55,1051 13.081,1052 0.125,1053 20.865,1054 10.438,1055 2.867,1056 9.407,1057 19.34,1058 -0.187,1059 11.704,1060 14.637,1061 1.624,1062 23.135,1063 11.582,1064 2.629,1065 9.056,1066 21.13,1067 3.978,1068 12.672,1069 15.819,1070 0.082,1071 25.295,1072 12.547,1073 2.307,1074 8.268,1075 22.925,1076 3.887,1077 13.776,1078 17.295,1079 1.676,1080 27.534,1081 13.643,1082 2.219,1083 6.784,1084 24.724,1085 3.369,1086 14.794,1087 18.552,1088 0.054,1089 29.725,1090 14.656,1091 1.81,1092 5.191,1093 26.527,1094 3.149,1095 15.877,1096 19.983,1097 1.742,1098 31.952,1099 15.731,1100 1.656,1101 4.549,1102 28.333,1103 2.575,1104 16.921,1105 21.285,1106 0.035,1107 34.158,1108 16.769,1109 11195,1110 17512,1111 20.572,1112 37.063,1113 45.502,1114 46.39,1115 46.508,1116 44.953,1117 44.962,1118 59.021,1119 5.437,1120 122.366,1121 43.707,1122 5.215,1123 5.579,1124 6.051,1125 5.001,1126 4.977,1127 6.978,1128 2.117,1129 15.817,1130 4.944,1131 14.537,1132 1.468,1133 1.496,1134 1.5,1135 1.45,1136 1.45,1137 1.904,1138 0.175,1139 3.947,1140 1.41,1141 4.022,1142 4.05,1143 3.971,1144 3.951,1145 7.429,1146 3.952,1147 3.937,1148 3.962,1149 3.885,1150 3.874,1151 4.935,1152 3.873,1153 3.733,1154 3.785,1155 3.663,1156 3.618,1157 4.833,1158 3.623,1159 3.67,1160 3.743,1161 3.529,1162 3.486,1163 4.688,1164 3.484,1165 3.394,1166 3.446,1167 3.317,1168 3.183,1169 4.355,1170 3.201,1171 3.3,1172 3.366,1173 3.105,1174 3.064,1175 4.312,1176 3.072,1177 3.136,1178 3.209,1179 2.966,1180 2.883,1181 3.949,1182 2.89,1183 2.874,1184 3.009,1185 2.761,1186 2.735,1187 3.873,1188 2.715,1189 0.14,1190 0.115,1191 0.202,1192 0.128,1193 0.096,1194 4.337,1195 0.128,1196 3.579,1197 0.034,1198 6.249,1199 0.303,1200 3.966,1201 0.095,1202 2.977,1203 3.978,1204 1.058,1205 9.407,1206 2.944,1207 1.976,1208 1.953,1209 2.07,1210 2.067,1211 1.308,1212 2.069,1213 1.928,1214 1.908,1215 2.041,1216 2.02,1217 1.163,1218 2.028,1219 1.705,1220 1.664,1221 1.885,1222 1.881,1223 1.05,1224 1.887,1225 1.643,1226 1.571,1227 1.827,1228 1.831,1229 0.855,1230 1.834,1231 1.353,1232 1.281,1233 1.66,1234 1.58,1235 0.791,1236 1.608,1237 1.24,1238 1.184,1239 1.574,1240 1.544,1241 0.577,1242 1.549,1243 1.083,1244 1.011,1245 1.417,1246 1.357,1247 0.469,1248 1.346,1249 0.934,1250 0.821,1251 1.284,1252 1.239,1253 0.459,1254 1.308,1255 4.143,1257 5.425,1259 6.901,1261 8.462,1263 10.068,1265 5.775,1271 2.859,1272 2.976,1273 5.461,1276 2.151,1280 34.815,1281 80.036,1282 191.271,1283 253.663,1284 278.192,1285 280.947,1286 280.947,1287 50.43,1288 7.274,1289 54.46,1290 54.46,1291 18,1292 12.295,1293 4.322,1294 3.459,1295 52.677,1296 132,1297 127,1298 0.191,1299 217.908,1300 378.16,1301 523.455,1302 14579,1304 20.64,1305 0.712,1306 0.593,1307 20.64,1308 17.183,1309 14.063,1310 0.454,1311 0.313,1312 9.57,1313 13.58,1314 9.211,1315 7.77,1316 14.063,1317 9.701,1318 12.218,1319 0.298,1320 0.176,1321 12.218,1322 7.201,1323 9.779,1324 0.192,1325 0.093,1326 9.779,1327 4.75,1328 7.778,1329 0.125,1330 0.052,1331 7.778,1332 3.195,1333 6.172,1334 0.08,1335 0.027,1336 6.172,1337 2.08,1338 0.308,1339 87.76,1340 0.22,1341 28.137,1342 0.502,1343 144,1344 397.094,1345 153.95,1346 388.047,1347 527.74,1348 364,1349 164,1350 378.956,1351 174.146,1352 393.163,1353 562.02,1354 365,1355 6.268} {0 CHEMBL309121,1 1.207,2 7.35,3 4.567,4 20.859,5 86.457,6 6.101,7 0.455,8 3.841,9 3.985,10 3.253,11 3.405,12 4.741,13 3.334,14 4.423,15 4.633,16 3.584,17 3.823,18 5.197,19 3.719,20 4.711,21 4.966,22 3.642,23 3.992,24 5.399,25 3.85,26 4.809,27 5.071,28 3.607,29 4.062,30 5.463,31 3.89,32 4.884,33 5.171,34 3.48,35 4.046,36 5.517,37 3.833,38 4.845,39 5.163,40 3.317,41 3.911,42 5.478,43 3.68,44 4.629,45 4.949,46 3.087,47 3.705,48 5.27,49 3.474,50 4.349,51 4.657,52 2.835,53 3.445,54 5.048,55 3.219,56 0.058,57 0.625,58 10.811,59 4.34,60 8.177,61 6.379,62 0.125,63 1.049,64 19.233,65 7.243,66 12.334,67 10.872,68 0.167,69 1.312,70 25.219,71 9.585,72 16.428,73 14.352,74 0.166,75 1.41,76 27.543,77 10.995,78 15.617,79 16.207,80 0.152,81 1.447,82 29.19,83 12.087,84 19.37,85 17.652,86 0.194,87 1.343,88 27.935,89 11.073,90 23.198,91 16.344,92 0.133,93 1.07,94 22.364,95 8.964,96 19,97 13.222,98 0.102,99 0.819,100 16.933,101 6.725,102 16.422,103 9.948,104 14,105 30,106 0.212,107 0.581,108 0.824,109 0.875,110 0.883,111 0.883,112 3.059,113 1.058,114 -4.81,115 -4.72,116 -4.44,119 40.9,120 1,121 4,125 2,127 1,133 1,134 1,140 3,141 3,149 1,150 1,169 10,172 4,176 3,178 11,182 4,186 2,189 11,193 2,197 2,199 10,203 2,208 1,211 11,215 1,218 1,220 1,222 9,233 8,242 2,244 6,254 2,256 2,259 426,260 14.016,261 14.016,262 14.016,263 14.016,264 14.016,265 12.729,266 14.472,267 8.503,268 14.189,269 10.811,270 10.811,271 10.811,272 10.811,273 10.811,274 8.836,275 16.435,276 3.844,277 11.105,278 4.252,279 2.146,280 0.762,281 0.472,282 0.426,283 0.426,284 3.742,288 1,289 1,290 315,291 3.082,294 36.573,295 76.782,298 61.886,299 65.666,302 1.15,303 6.949,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41,315 147,316 4.593,317 3.344,318 6.722,319 4.174,320 3.183,321 4.525,322 0.916,323 10.959,324 3.154,325 3.909,326 3.029,327 6.13,328 3.734,329 2.788,330 3.292,331 0.172,332 9.012,333 2.639,334 3.665,335 2.535,336 5.695,337 3.341,338 2.367,339 2.772,341 7.552,342 2.3,343 3.184,344 1.989,345 4.769,346 2.768,347 1.778,348 2.477,350 5.064,351 1.759,352 2.802,353 1.784,354 4.419,355 2.59,356 1.613,357 1.774,359 4.284,360 1.573,361 2.643,362 1.479,363 3.79,364 2.237,365 1.247,366 1.702,368 2.858,369 1.233,370 2.503,371 1.315,372 3.427,373 2.205,374 1.224,375 1.426,377 2.117,378 1.199,379 2.094,380 0.914,381 3.247,382 1.812,383 0.834,384 0.993,386 2.058,387 0.814,388 2,389 0.847,390 3.178,391 1.684,392 0.71,393 0.888,395 1.46,396 0.691,397 1.814,398 0.569,399 2.813,400 1.478,401 0.501,402 0.643,404 0.925,405 0.489,406 0.939,407 -0.185,408 2.506,409 0.636,410 -0.349,411 -0.405,413 -0.632,414 -0.343,415 0.766,416 -0.272,417 2.258,418 0.521,419 -0.445,420 -0.521,422 -0.825,423 -0.428,424 0.632,425 -0.529,426 2.178,427 0.302,428 -0.688,429 -0.805,431 -1.797,432 -0.68,433 0.306,434 -0.837,435 1.87,436 0.03,437 -0.956,438 -1.187,440 -1.945,441 -0.941,442 0.051,443 -1.038,444 1.555,445 -0.129,446 -1.122,447 -1.441,449 -3.038,450 -1.113,451 9.8,452 0.49,453 0.342,454 0.017,455 21.25,456 1.063,457 9,458 0.45,459 12.25,460 0.613,461 18.701,462 0.935,463 22,464 0.5,465 12.394,466 0.62,467 3.922,468 0.196,469 5.908,470 0.295,471 0.102,473 0.296,479 1.116,480 1.329,481 1.01,482 1.135,483 1.127,484 1.078,485 1.431,486 1.163,487 1.049,488 1.032,489 0.873,490 1.021,491 1.329,492 1.012,493 1.025,494 0.964,495 0.779,496 0.974,497 1.106,498 1.038,499 1.092,500 1.065,501 0.801,502 1.075,503 0.686,504 1.109,505 1.033,506 1.13,507 0.948,508 1.107,509 0.773,510 0.895,511 0.919,512 0.934,513 1.045,514 0.935,515 0.828,516 0.854,517 0.911,518 0.9,519 1.111,520 0.909,521 0.918,522 0.951,523 0.996,524 0.99,525 0.976,526 0.996,527 3,529 2.444,530 0.938,531 0.978,532 0.604,533 0.335,534 0.224,535 0.128,536 0.081,537 3481,538 6174,539 2.107,540 54.5,541 5,542 11,543 1,545 1,547 6,550 1.623,551 2,552 2.932,553 -0.419,559 53.117,560 1.207,561 3.314,562 4.698,563 4.988,564 5.033,565 5.033,566 2.261,567 3.409,568 4.293,569 3.05,570 579.49,571 7.359,572 5835.69,574 1,577 240.215,578 1.295,579 4.266,580 0.136,582 0.081,583 0.03,584 0.034,585 0.025,586 0.017,587 0.014,588 0.011,589 0.013,590 0.362,591 0.67,592 1,593 1.429,594 87.064,595 0.068,596 -0.105,597 0.066,598 -0.012,599 -0.005,600 0.02,601 -0.059,602 -0.023,603 0.002,604 0.002,605 -0.017,606 0.005,607 -0.094,608 0.044,609 -0.01,610 0.03,611 0.021,612 0.018,613 -0.118,614 -0.02,615 -0.101,616 -0.061,617 -0.066,618 -0.077,619 0.02,620 -0.164,621 -0.079,622 -0.135,623 -0.063,624 -0.117,625 0.112,626 0.018,627 0.033,628 0.012,629 0.006,630 0.017,631 -0.012,632 0.052,633 0.034,634 0.051,635 -0.041,636 0.046,637 -0.044,638 -0.026,639 -0.042,640 -0.034,641 0.102,642 -0.037,643 0.666,644 0.917,645 0.65,646 13.16,647 0.976,648 1.126,649 3.582,650 12.834,651 0.645,652 3.135,653 3.434,654 3.761,655 4.06,656 4.277,657 4.394,658 4.543,659 4.663,660 4.644,661 4.533,662 4.726,663 0.587,664 268.44,665 3.135,666 4.654,667 5.517,668 6.402,669 7.29,670 8.185,671 9.081,672 9.98,673 10.88,674 11.781,675 4.5,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 44,716 11,717 1,718 22,720 46,721 18,722 8,723 4,724 2,730 3,731 6,736 1,740 4,743 5,745 10,746 8,750 1,751 1,757 1,761 1,764 24,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,809 1,810 1,815 1,819 1,823 1,827 20,833 6,837 1,838 1,854 10,855 7.95,856 4.611,857 2.989,858 2.182,859 1.318,860 0.987,861 4.042,862 9.036,863 3.367,864 3.917,865 4.534,866 5.149,867 5.624,868 5.987,869 6.361,870 6.725,871 6.698,872 6.821,873 0.8,874 31,875 7.42,877 3.066,878 7.325,879 15.023,881 12.723,883 1.825,884 36.5,885 0.003,888 270.735,889 96.982,890 19.91,895 96.982,896 270.735,897 19.91,898 8.825,899 30.116,900 46.952,902 28.854,903 13.915,904 258.964,906 270.735,907 116.892,911 200.109,912 70.627,915 43.085,916 64.331,917 9.476,919 270.735,920 19.91,921 96.982,924 270.735,925 25.438,926 58.902,927 16.786,928 15.767,929 270.735,930 19.91,931 96.982,933 0.558,934 0.343,935 0.204,936 0.111,937 15,938 6,939 0.109,940 5,941 2,942 1.308,943 3.216,944 153.427,945 0.308,946 13,947 86.439,951 13.599,952 5.944,953 2.616,954 2.692,955 3.124,956 8.82,958 3.334,961 3.105,963 16.786,964 387.628,965 28,966 3.917,972 2.044,975 42.923,976 49.564,977 0.221,978 0.607,979 0.861,980 0.914,981 0.922,982 0.922,983 4.59,984 0.834,985 5.485,986 2.117,987 4.111,988 4.6,989 0.918,990 6.319,991 4.062,992 5.761,993 0.71,994 7.05,995 2.058,996 3.611,997 4.388,998 0.325,999 7.273,1000 3.531,1001 7.058,1002 0.501,1003 8.723,1004 1.46,1005 5.707,1006 6.812,1007 0.671,1008 10.405,1009 5.61,1010 8.398,1011 -0.349,1012 10.46,1013 0.925,1014 6.111,1015 7.567,1016 0.393,1017 12.207,1018 5.99,1019 9.78,1020 -0.445,1021 12.238,1022 -0.632,1023 7.618,1024 9.421,1025 0.533,1026 14.836,1027 7.484,1028 11.191,1029 -0.688,1030 14.043,1031 -0.825,1032 8.429,1033 10.602,1034 0.384,1035 16.969,1036 8.279,1037 12.625,1038 -0.956,1039 15.866,1040 -1.797,1041 9.705,1042 12.245,1043 0.438,1044 19.433,1045 9.546,1046 3.183,1047 -1.122,1048 17.703,1049 -1.945,1050 10.699,1051 13.614,1052 0.351,1053 21.706,1054 10.53,1055 2.788,1056 10.959,1057 19.55,1058 -3.038,1059 11.885,1060 15.174,1061 0.366,1062 24.115,1063 11.709,1064 2.367,1065 9.012,1066 21.404,1067 4.525,1068 12.961,1069 16.623,1070 0.312,1071 26.448,1072 12.778,1073 1.778,1074 7.552,1075 23.265,1076 3.292,1077 14.116,1078 18.153,1079 0.309,1080 28.84,1081 13.928,1082 1.613,1083 5.064,1084 25.131,1085 2.772,1086 15.228,1087 19.636,1088 0.273,1089 31.202,1090 15.036,1091 1.247,1092 4.284,1093 27.001,1094 2.477,1095 16.374,1096 21.153,1097 0.262,1098 33.59,1099 16.177,1100 1.224,1101 2.858,1102 28.875,1103 1.774,1104 17.505,1105 22.651,1106 0.236,1107 35.966,1108 17.303,1109 3463,1110 4682,1111 14.909,1112 28.387,1113 32.96,1114 32.666,1115 33.834,1116 32.499,1117 32.49,1118 40.984,1119 2.178,1120 92.578,1121 31.701,1122 5.538,1123 5.344,1124 6.524,1125 5.187,1126 5.183,1127 7.525,1128 1.605,1129 18.173,1130 5.154,1131 7.936,1132 1.498,1133 1.485,1134 1.538,1135 1.477,1136 1.477,1137 1.863,1138 0.099,1139 4.208,1140 1.441,1141 4.152,1142 4.186,1143 4.106,1144 4.079,1145 4.969,1146 4.082,1147 3.812,1148 3.879,1149 3.703,1150 3.657,1151 4.717,1152 3.659,1153 3.6,1154 3.666,1155 3.466,1156 3.469,1157 4.363,1158 3.459,1159 3.483,1160 3.557,1161 3.291,1162 3.35,1163 4.178,1164 3.325,1165 3.284,1166 3.344,1167 3.147,1168 3.176,1169 3.968,1170 3.162,1171 3.043,1172 3.134,1173 2.847,1174 2.875,1175 3.697,1176 2.855,1177 2.987,1178 3.079,1179 2.8,1180 2.797,1181 3.547,1182 2.788,1183 2.741,1184 2.833,1185 2.516,1186 2.561,1187 3.299,1188 2.537,1189 0.209,1190 0.152,1191 0.306,1192 0.19,1193 0.145,1194 4.593,1195 0.206,1196 3.344,1197 0.042,1198 6.722,1199 0.498,1200 4.174,1201 0.143,1202 3.183,1203 4.525,1204 0.916,1205 10.959,1206 3.154,1207 2.028,1208 2.004,1209 2.139,1210 2.113,1211 1.473,1212 2.124,1213 1.732,1214 1.671,1215 1.946,1216 1.913,1217 1.193,1218 1.925,1219 1.537,1220 1.469,1221 1.806,1222 1.746,1223 1.003,1224 1.759,1225 1.512,1226 1.445,1227 1.735,1228 1.692,1229 0.866,1230 1.721,1231 1.457,1232 1.404,1233 1.648,1234 1.604,1235 0.75,1236 1.63,1237 1.167,1238 1.094,1239 1.464,1240 1.373,1241 0.628,1242 1.41,1243 0.956,1244 0.854,1245 1.342,1246 1.218,1247 0.47,1248 1.266,1249 0.852,1250 0.777,1251 1.145,1252 1.062,1253 0.318,1254 1.095,1255 3.807,1257 5.106,1258 2.398,1259 6.624,1260 4.595,1261 8.252,1262 6.605,1263 9.941,1265 2.261,1271 7.061,1275 0.668,1276 2.599,1280 25.838,1281 53.117,1282 145.809,1283 206.705,1284 219.46,1285 221.46,1286 221.46,1287 23.44,1288 6.854,1289 19.03,1290 19.03,1291 17,1292 12.303,1293 3.585,1294 2.807,1295 29.803,1296 58,1297 54,1298 0.269,1299 160.204,1300 269.88,1301 382.658,1302 7434,1304 13.949,1305 0.697,1306 0.618,1307 13.949,1308 12.361,1309 9.83,1310 0.447,1311 0.353,1312 7.711,1313 9.658,1314 7.487,1315 6.251,1316 9.83,1317 7.759,1318 8.267,1319 0.276,1320 0.194,1321 8.267,1322 5.822,1323 7.25,1324 0.173,1325 0.108,1326 7.25,1327 4.52,1328 6.386,1329 0.112,1330 0.063,1331 6.386,1332 3.564,1333 5.075,1334 0.071,1335 0.036,1336 5.075,1337 2.588,1338 0.405,1339 60.009,1340 0.259,1341 19.52,1342 0.789,1343 104,1344 193.978,1345 108.135,1346 197.524,1347 284.59,1348 188,1349 124,1350 219.437,1351 128.663,1352 226.205,1353 333.53,1354 215,1355 7.456} {0 CHEMBL309162,1 1.437,2 5.8,3 2.052,4 4.209,5 60.846,6 6.59,7 0.375,8 3.511,9 3.645,10 2.965,11 3.03,12 4.552,13 2.987,14 4.039,15 4.248,16 3.293,17 3.403,18 4.994,19 3.332,20 4.203,21 4.418,22 3.251,23 3.496,24 5.179,25 3.393,26 4.261,27 4.478,28 3.111,29 3.485,30 5.176,31 3.336,32 4.357,33 4.661,34 3.047,35 3.357,36 5.181,37 3.189,38 4.123,39 4.411,40 2.864,41 3.122,42 5.117,43 2.997,44 3.899,45 4.176,46 2.18,47 2.906,48 4.66,49 2.659,50 3.692,51 4.099,52 0.847,53 2.207,54 4.234,55 1.782,56 0.041,57 0.444,58 7.295,59 2.879,60 6.489,61 4.091,62 0.106,63 0.7,64 12.753,65 4.682,66 11.637,67 6.874,68 0.135,69 0.776,70 15.212,71 5.416,72 18.78,73 7.928,74 0.118,75 0.776,76 16.058,77 6.189,78 19.477,79 8.815,80 0.143,81 0.775,82 18.092,83 5.938,84 24.932,85 9.207,86 0.328,87 0.629,88 14.865,89 3.713,90 35.217,91 6.133,92 0.094,93 0.473,94 11.285,95 4.01,96 12.758,97 5.944,98 0.142,99 0.271,100 9.61,101 2.93,102 20.43,103 4.532,104 10,105 22,106 0.278,107 0.623,108 0.799,109 0.824,110 0.861,111 0.861,112 2.796,113 0.982,114 -3.23,115 -3.22,116 -3.09,119 38.7,120 2,121 1,125 2,140 2,141 3,142 1,156 1,169 7,172 1,174 1,176 3,178 9,182 1,186 4,189 9,193 2,197 4,199 3,203 3,208 4,215 1,218 1,219 1,220 1,259 223,260 9.914,261 9.914,262 9.914,263 9.914,264 9.914,265 8.72,266 12.021,267 5.829,268 10.083,269 7.852,270 7.852,271 7.852,272 7.852,273 7.852,274 6.154,275 12.886,276 2.751,277 8.138,278 3.517,279 1.735,280 0.823,281 0.694,282 0.5,283 0.5,284 3.435,288 1,289 1,290 180,291 1.871,294 38.515,295 47.862,302 0.8,303 11.638,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 32,315 87,316 4.442,317 3.379,318 6.571,319 4.071,320 3.08,321 4.133,322 1.505,323 10.225,324 3.05,325 3.843,326 3.027,327 5.501,328 3.441,329 2.505,330 3.115,331 0.368,332 7.111,333 2.342,334 3.502,335 2.476,336 5.269,337 3.131,338 2.16,339 2.819,340 0.265,341 6.326,342 2.092,343 3.034,344 1.922,345 4.478,346 2.649,347 1.661,348 2.23,350 4.325,351 1.637,352 2.259,353 1.507,354 3.524,355 2.159,356 1.192,357 1.24,359 2.641,360 1.15,361 1.795,362 1.104,363 3.033,364 1.518,365 0.618,366 0.669,368 1.372,369 0.556,370 1.51,371 0.916,372 3,373 1.361,374 0.379,375 0.413,377 0.95,378 0.371,379 1.458,380 0.579,381 2.716,382 1.157,383 0.206,384 0.247,386 0.435,387 0.194,388 0.533,389 -0.229,390 2.358,391 0.29,392 -0.694,393 -0.772,395 -1.841,396 -0.682,397 0.228,398 -0.626,399 1.519,400 -0.047,401 -1,402 -1.205,404 -2.42,405 -0.939,406 -0.168,407 -1.004,408 1.486,409 -0.412,410 -1.379,411 -1.536,413 -3.339,414 -1.337,415 -0.256,416 -1.06,417 1.257,418 -0.558,419 -1.541,420 -1.768,422 -4.003,423 -1.456,424 -0.301,425 -1.336,426 1.216,427 -0.635,428 -1.598,429 -2.03,431 -4.372,432 -1.497,433 -0.478,434 -1.418,435 1,436 -0.718,437 -1.618,438 -2.146,439 -0.199,440 -4.387,441 -1.561,442 -0.5,443 -1.558,444 0.686,445 -1,446 -1.973,447 -2.411,448 -0.795,449 -5.947,450 -1.918,451 7.133,452 0.476,453 0.404,454 0.027,455 17.25,456 1.15,457 8,458 0.533,459 9.25,460 0.617,461 11.423,462 0.762,463 16.867,464 0.544,465 9.884,466 0.659,467 3.518,468 0.235,469 3.664,470 0.244,471 0.187,473 0.35,479 1.012,480 1.303,481 0.947,482 1.107,483 1.015,484 1.033,485 0.738,486 1.02,487 0.833,488 0.95,489 0.605,490 0.901,491 1.135,492 1.027,493 1.15,494 1.095,495 0.986,496 1.108,497 1.064,498 1.349,499 1.238,500 1.4,501 1.257,502 1.366,503 0.734,504 1.103,505 0.762,506 0.958,507 0.731,508 0.882,509 1.513,510 0.648,511 1.16,512 0.651,513 1.329,514 0.81,515 0.941,516 1.22,517 1.339,518 1.432,519 1.018,520 1.436,521 1.057,522 0.345,523 0.635,524 0.414,525 1.314,526 0.485,527 3,529 2,530 1.097,531 0.919,532 0.291,533 0.232,534 0.056,537 1499,538 3509,539 1.993,540 51.6,541 6,542 6,545 2,546 2,550 1.534,551 1.837,552 2.619,553 0.431,557 1,559 44.561,560 1.437,561 3.22,562 4.131,563 4.26,564 4.454,565 4.454,566 1.889,567 3.457,568 3.883,569 2.694,570 282.827,571 6.521,572 2341.17,574 1,577 153.58,578 1.506,579 3.82,580 0.188,582 0.091,583 0.055,584 0.057,585 0.019,586 0.019,587 0.014,590 0.443,591 1,592 1,593 0.725,594 57.776,595 -0.096,596 -0.06,597 0.016,598 0.035,599 -0.128,600 0.036,601 0.056,602 0.115,603 0.126,604 0.096,605 0.059,606 0.117,607 -0.165,608 0.072,609 -0.184,610 -0.072,611 -0.061,612 -0.113,613 -0.11,614 -0.352,615 -0.293,616 -0.349,617 -0.158,618 -0.351,619 0.09,620 -0.236,621 0.194,622 -0.027,623 0.095,624 0.074,625 -0.04,626 0.357,627 -0.117,628 0.174,629 -0.035,630 0.048,631 -0.098,632 -0.32,633 -0.404,634 -0.473,635 -0.121,636 -0.473,637 0.009,638 0.232,639 0.339,640 0.398,641 -0.036,642 0.402,643 1.297,644 3.638,645 0.733,646 7.342,647 0.991,648 1.133,649 1.999,650 3.995,651 0.639,652 2.833,653 3.135,654 3.367,655 3.526,656 3.584,657 3.497,658 3.367,659 3.296,660 3.045,661 2.708,662 3.833,663 0.595,664 204.3,665 2.833,666 4.344,667 5.176,668 6.033,669 6.884,670 7.745,671 8.602,672 9.463,673 10.322,674 11.184,675 6.5,677 1,684 1,688 2,693 4,695 6,711 1,714 31,716 7,717 1,718 16,720 32,721 12,722 6,723 4,724 2,730 2,731 2,736 2,743 1,745 7,746 5,750 1,758 1,759 1,761 1,764 16,765 3,766 2,767 3,773 2,774 1,777 1,778 1,792 1,793 1,814 1,819 2,823 2,827 15,832 1,833 3,834 1,847 3.2,849 1,854 8.167,855 6.067,856 3.333,857 1.853,858 1.48,859 1.262,860 0.932,861 2.848,862 7.129,863 3.045,864 3.624,865 4.107,866 4.547,867 4.944,868 4.966,869 4.89,870 5.055,871 5.104,872 4.925,873 0.75,874 20,875 5.54,876 -0.001,877 2.268,878 7.656,879 10.769,881 8.664,883 2.156,884 32.333,885 0.006,888 164.795,889 55.233,890 34.796,892 42.683,895 55.233,896 207.479,897 34.796,898 17.65,899 6.746,900 36.963,901 45.011,902 26.342,904 164.795,906 164.795,907 90.03,908 42.683,911 164.795,912 42.683,915 59.193,916 30.837,919 164.795,920 77.48,921 55.233,924 164.795,925 18.631,926 36.603,927 18.011,928 59.469,929 164.795,930 77.48,931 55.233,933 0.584,934 0.346,935 0.172,936 0.082,937 11,938 5,939 0.063,940 2,942 1,943 2.699,944 96.006,946 11,947 56.603,951 10.34,952 4.131,953 2.086,955 77.48,956 3.7,961 3.727,963 60.694,964 297.509,965 20,973 4.367,974 1.034,975 30.716,976 35.112,977 0.29,978 0.65,979 0.834,980 0.86,981 0.899,982 0.899,983 4.27,984 0.206,985 5.165,986 0.95,987 3.807,988 4.304,989 1.696,990 5.953,991 3.744,992 5.478,993 -0.694,994 6.723,995 0.435,996 3.434,997 4.205,998 0.904,999 6.836,1000 3.356,1001 6.792,1002 -1,1003 8.384,1004 -1.841,1005 5.38,1006 6.474,1007 2.113,1008 9.924,1009 5.273,1010 8.144,1011 -1.379,1012 10.104,1013 -2.42,1014 5.832,1015 7.173,1016 1.864,1017 11.624,1018 5.713,1019 9.526,1020 -1.541,1021 11.861,1022 -3.339,1023 7.249,1024 8.945,1025 2.717,1026 14.242,1027 7.116,1028 10.928,1029 -1.598,1030 13.645,1031 -4.003,1032 8.064,1033 10.001,1034 2.755,1035 16.284,1036 7.925,1037 12.344,1038 -1.618,1039 15.447,1040 -4.372,1041 9.289,1042 11.582,1043 3.416,1044 18.735,1045 9.142,1046 3.08,1047 -1.973,1048 17.263,1049 -4.387,1050 10.269,1051 12.815,1052 3.615,1053 20.93,1054 10.119,1055 2.505,1056 10.225,1057 19.092,1058 -5.947,1059 11.422,1060 14.313,1061 4.169,1062 23.311,1063 11.267,1064 2.16,1065 7.111,1066 20.929,1067 4.133,1068 12.477,1069 15.636,1070 4.458,1071 25.576,1072 12.319,1073 1.661,1074 6.326,1075 22.774,1076 3.115,1077 13.605,1078 17.094,1079 4.951,1080 27.927,1081 13.443,1082 1.192,1083 4.325,1084 24.626,1085 2.819,1086 14.695,1087 18.462,1088 5.291,1089 30.224,1090 14.528,1091 0.618,1092 2.641,1093 26.482,1094 2.23,1095 15.816,1096 19.901,1097 5.749,1098 32.561,1099 15.645,1100 0.379,1101 1.372,1102 28.343,1103 1.24,1104 16.922,1105 21.294,1106 6.119,1107 34.873,1108 16.746,1109 1559,1110 2437,1111 10.345,1112 19.796,1113 23.684,1114 24.144,1115 24.252,1116 23.572,1117 23.605,1118 29.736,1119 4.277,1120 66.77,1121 22.782,1122 5.34,1123 5.379,1124 6.184,1125 5.076,1126 5.08,1127 7.133,1128 2.65,1129 17.301,1130 5.05,1131 7.221,1132 1.48,1133 1.509,1134 1.516,1135 1.473,1136 1.475,1137 1.859,1138 0.267,1139 4.173,1140 1.424,1141 3.99,1142 4.02,1143 3.933,1144 3.923,1145 6.469,1146 3.921,1147 3.752,1148 3.82,1149 3.662,1150 3.552,1151 4.759,1152 3.57,1153 3.276,1154 3.353,1155 3.102,1156 3.126,1157 4.564,1158 3.107,1159 3.164,1160 3.227,1161 3.001,1162 3.028,1163 3.924,1164 3.013,1165 2.994,1166 3.099,1167 2.729,1168 2.796,1169 3.736,1170 2.765,1171 2.613,1172 2.699,1173 2.367,1174 2.271,1175 3.557,1176 2.277,1177 2.551,1178 2.672,1179 2.302,1180 2.212,1181 3.44,1182 2.204,1183 2.417,1184 2.516,1185 2.206,1186 2.186,1187 3.04,1188 2.184,1189 0.278,1190 0.211,1191 0.411,1192 0.254,1193 0.193,1194 4.442,1195 0.258,1196 3.379,1197 0.094,1198 6.571,1199 0.639,1200 4.071,1201 0.191,1202 3.08,1203 4.133,1204 1.505,1205 10.225,1206 3.05,1207 1.955,1208 1.934,1209 2.064,1210 2.037,1211 1.263,1212 2.046,1213 1.449,1214 1.377,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.417,1220 1.345,1221 1.635,1222 1.647,1223 0.776,1224 1.635,1225 1.3,1226 1.227,1227 1.604,1228 1.511,1229 0.714,1230 1.556,1231 1.078,1232 0.997,1233 1.431,1234 1.324,1235 0.473,1236 1.362,1237 0.754,1238 0.644,1239 1.107,1240 1.064,1241 0.221,1242 1.092,1243 0.509,1244 0.443,1245 0.85,1246 0.924,1248 0.901,1249 0.183,1250 0.073,1251 0.613,1252 0.455,1254 0.521,1255 3.497,1257 4.796,1258 2.398,1259 6.286,1260 4.443,1261 7.87,1262 6.26,1263 9.505,1265 4.018,1270 9.638,1271 2.602,1272 3.247,1280 18.445,1281 44.561,1282 99.806,1283 128.07,1284 132.07,1285 138.07,1286 138.07,1287 19.481,1288 5.649,1289 44.62,1290 44.62,1291 11,1292 11.733,1293 3,1294 2.322,1295 23.474,1296 33,1297 28,1298 0.357,1299 116.967,1300 200.77,1301 277.159,1302 1525,1304 10.836,1305 0.722,1306 0.611,1307 10.836,1308 9.17,1309 7.182,1310 0.449,1311 0.327,1312 5.181,1313 6.974,1314 4.959,1315 4.145,1316 7.182,1317 5.235,1318 6.441,1319 0.293,1320 0.179,1321 6.441,1322 3.937,1323 5.461,1324 0.195,1325 0.103,1326 5.461,1327 2.892,1328 4.021,1329 0.122,1330 0.057,1331 4.021,1332 1.885,1333 2.766,1334 0.079,1335 0.03,1336 2.766,1337 1.059,1338 0.526,1339 44.575,1340 0.311,1341 14.959,1342 1.076,1343 76,1344 192.128,1345 81.601,1346 189.69,1347 259.97,1348 178,1349 88,1350 189.833,1351 93.352,1352 194.72,1353 280.73,1354 183,1355 5.985} {0 CHEMBL309872,1 1.534,2 13.903,3 3.985,4 15.879,5 125.442,6 7.649,7 0.457,8 4.145,9 4.262,10 3.742,11 3.733,12 5.178,13 3.7,14 4.715,15 4.877,16 4.135,17 4.173,18 5.736,19 4.114,20 4.997,21 5.193,22 4.188,23 4.347,24 5.934,25 4.247,26 5.075,27 5.294,28 4.107,29 4.342,30 5.97,31 4.207,32 5.103,33 5.367,34 3.985,35 4.259,36 5.885,37 4.101,38 5.003,39 5.272,40 3.853,41 4.11,42 5.807,43 3.968,44 4.868,45 5.118,46 3.826,47 4.034,48 5.78,49 3.896,50 4.792,51 5.047,52 3.659,53 3.978,54 5.599,55 3.804,56 0.034,57 0.806,58 11.543,59 5.275,60 8.987,61 6.921,62 0.209,63 1.348,64 23.029,65 9.394,66 29.393,67 12.407,68 0.27,69 1.688,70 34.242,71 13.191,72 38.808,73 17.495,74 0.331,75 1.801,76 37.113,77 14.385,78 44.262,79 19.622,80 0.277,81 1.805,82 40.582,83 14.941,84 41.617,85 20.883,86 0.389,87 1.639,88 37.155,89 12.734,90 46.882,91 17.683,92 0.463,93 1.423,94 31.62,95 11.151,96 54.241,97 15.337,98 0.272,99 1.293,100 32.057,101 11.092,102 37.286,103 15.198,104 11,105 50,106 0.249,107 0.632,108 0.836,109 0.903,110 0.903,111 0.903,112 3.471,113 0.959,114 -4.36,115 -4.29,116 -4.05,119 43.9,121 3,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 7,173 1,174 1,176 4,178 19,180 1,182 5,186 4,189 14,191 2,192 1,193 6,197 6,199 11,201 2,203 6,208 2,211 7,213 2,215 6,218 1,222 4,225 1,226 5,228 1,229 1,231 1,233 8,235 1,237 1,242 1,244 10,248 1,249 2,251 1,252 1,256 10,259 1562,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.924,266 21.535,267 12.284,268 21.586,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 13.798,275 22.331,276 5.816,277 17.978,278 4.299,279 1.945,280 0.693,281 0.281,282 0.281,283 0.281,284 4.183,285 1,288 1,289 1,290 960,291 3.162,294 70.422,295 346.178,298 131.719,299 142.42,302 2.054,303 24.648,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.833,315 431,316 4.604,317 3.522,318 6.712,319 4.152,320 3.165,321 4.54,322 1.151,323 10.913,324 3.123,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.962,335 3.249,336 5.903,337 3.649,338 2.662,339 3.386,340 0.916,341 8.14,342 2.634,343 3.93,344 2.971,345 5.786,346 3.582,347 2.613,348 3.265,349 0.172,350 7.935,351 2.517,352 3.57,353 2.776,354 5.339,355 3.288,356 2.362,357 2.87,359 6.896,360 2.183,361 3.352,362 2.482,363 5.137,364 2.993,365 2.056,366 2.461,368 6.012,369 1.924,370 3.154,371 2.354,372 4.96,373 2.896,374 1.959,375 2.288,377 5.723,378 1.745,379 3.013,380 1.979,381 4.514,382 2.533,383 1.57,384 2.179,386 4.337,387 1.508,388 2.881,389 1.792,390 4.189,391 2.502,392 1.529,393 1.968,395 3.822,396 1.482,397 2.677,398 1.579,399 4.026,400 2.197,401 1.222,402 1.711,404 3.236,405 1.179,406 2.595,407 1.423,408 3.783,409 2.165,410 1.182,411 1.564,413 2.831,414 1.138,415 2.217,416 1.333,417 3.446,418 1.984,419 1.011,420 1.182,422 2.388,423 0.983,424 2.104,425 1.16,426 3.414,427 1.981,428 1,429 1.043,431 2.275,432 0.973,433 2.022,434 0.781,435 3.229,436 1.598,437 0.637,438 0.855,440 1.517,441 0.607,442 1.659,443 0.649,444 3.135,445 1.468,446 0.509,447 0.588,449 1.243,450 0.481,451 15.081,452 0.486,453 0.763,454 0.025,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 29.262,462 0.944,463 32.919,464 0.578,465 26.731,466 0.862,467 7.197,468 0.232,469 7.883,470 0.254,471 0.096,473 0.358,479 0.783,480 1.157,481 0.676,482 0.933,483 0.678,484 0.883,485 0.969,486 1.019,487 0.775,488 0.894,489 0.517,490 0.906,491 1.041,492 1.038,493 0.973,494 1.026,495 0.794,496 1.036,497 0.788,498 1.159,499 0.926,500 1.161,501 0.771,502 1.176,503 0.723,504 1.078,505 0.816,506 1.026,507 0.633,508 1.025,509 1.018,510 0.945,511 0.828,512 0.905,513 0.869,514 0.938,515 0.962,516 0.93,517 0.837,518 0.89,519 0.966,520 0.963,521 0.939,522 1,523 1.147,524 1.078,525 0.912,526 1.105,527 6,528 0.16,529 4,530 1.882,531 1.747,532 0.99,533 0.573,534 0.393,535 0.199,536 0.234,537 15284,538 40341,539 2.16,540 45.6,542 16,543 1,545 3,547 4,548 2,550 1.73,551 2.044,552 3.716,553 0.812,555 1,559 87.412,560 1.534,561 3.888,562 5.14,563 5.552,564 5.552,565 5.552,566 3.183,567 4.696,568 4.927,569 3.907,570 1816.95,571 8.566,572 26872.9,574 1,577 332.475,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.04,585 0.026,586 0.017,587 0.012,588 0.008,589 0.01,590 0.407,591 0.17,592 0.88,593 0.646,594 164.046,595 -0.053,596 0.006,597 0.028,598 0.037,599 -0.06,600 0.055,601 -0.046,602 0.077,603 0.005,604 0.069,605 0.115,606 0.038,607 -0.117,608 -0.027,609 -0.09,610 -0.039,611 -0.012,612 -0.06,613 0.019,614 -0.173,615 -0.095,616 -0.184,617 -0.017,618 -0.189,619 0.021,620 -0.134,621 0.049,622 -0.053,623 0.014,624 -0.018,625 -0.049,626 0.022,627 0.026,628 0.035,629 -0.056,630 0.037,631 0.063,632 0.044,633 0.021,634 0.059,635 0.036,636 0.008,637 -0.091,638 -0.06,639 -0.109,640 -0.079,641 -0.1,642 -0.096,643 2.042,644 4.47,645 0.806,646 32.489,647 0.998,648 1.12,649 3.125,650 9.767,651 0.683,652 3.584,653 3.932,654 4.234,655 4.511,656 4.762,657 4.86,658 4.997,659 5.069,660 5.142,661 5.204,662 7.976,663 0.643,664 435.99,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.67,671 9.557,672 10.45,673 11.34,674 12.233,675 5.3,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,713 1,714 57,716 18,717 2,718 35,720 61,721 25,722 14,723 6,724 6,725 3,730 5,731 7,732 1,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,764 26,765 4,766 3,767 6,768 1,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,824 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 3.5,850 1,851 1,854 15.167,855 10.01,856 6.667,857 3.53,858 3.567,859 1.425,860 1.032,861 5.784,862 11.969,863 3.829,864 4.44,865 5.043,866 5.633,867 6.152,868 6.465,869 6.811,870 7.046,871 7.076,872 7.271,873 1,874 51,875 11.487,877 4.986,878 7.627,879 22.455,881 19.328,883 2.127,884 65.944,887 1,888 270.735,889 122.744,890 52.807,891 39.149,892 36.145,895 122.744,896 346.029,897 52.807,899 51.41,900 75.381,901 40.849,902 41.911,903 13.915,904 258.964,905 39.149,906 270.735,907 175.552,908 36.145,909 39.149,911 200.109,912 95.772,913 11,915 71.32,916 94.755,917 48.625,919 270.735,920 88.952,921 161.893,924 270.735,925 47.363,926 78.505,927 16.786,928 108.191,929 270.735,930 88.952,931 161.893,933 0.589,934 0.347,935 0.187,936 0.105,937 26,938 11,939 0.082,940 5,941 2,942 1.16,943 4.358,944 283.876,945 0.16,946 25,947 153.58,951 20.62,952 8.695,953 4.248,954 2.31,955 72.166,956 13.866,958 3.342,961 4.991,963 49.683,964 521.58,965 45,970 11.47,972 2.343,974 1.017,975 56.887,976 63.84,977 0.263,978 0.667,979 0.881,980 0.952,981 0.952,982 0.952,983 5.088,984 1.57,985 5.999,986 5.723,987 4.615,988 5.127,989 1.956,990 6.823,991 4.547,992 6.293,993 1.529,994 7.566,995 4.337,996 4.205,997 4.977,998 0.325,999 7.745,1000 4.102,1001 7.608,1002 1.222,1003 9.231,1004 3.822,1005 6.225,1006 7.339,1007 1.989,1008 10.843,1009 6.115,1010 8.957,1011 1.182,1012 10.954,1013 3.236,1014 6.635,1015 8.048,1016 0.393,1017 12.605,1018 6.513,1019 10.34,1020 1.011,1021 12.715,1022 2.831,1023 8.118,1024 9.89,1025 2.094,1026 15.217,1027 7.985,1028 11.747,1029 1,1030 14.503,1031 2.388,1032 8.906,1033 11.004,1034 0.384,1035 17.326,1036 8.77,1037 13.173,1038 0.637,1039 16.31,1040 2.275,1041 10.173,1042 12.637,1043 2.241,1044 19.777,1045 10.025,1046 3.165,1047 0.509,1048 18.131,1049 1.517,1050 11.142,1051 13.948,1052 0.351,1053 22.033,1054 10.99,1055 3.077,1056 10.913,1057 19.964,1058 1.243,1059 12.321,1060 15.495,1061 2.418,1062 24.429,1063 12.157,1064 2.662,1065 10.291,1066 21.807,1067 4.54,1068 13.376,1069 16.902,1070 0.312,1071 26.749,1072 13.206,1073 2.613,1074 8.14,1075 23.657,1076 4.006,1077 14.522,1078 18.416,1079 2.619,1080 29.126,1081 14.34,1082 2.362,1083 7.935,1084 25.514,1085 3.386,1086 15.617,1087 19.87,1088 0.273,1089 31.475,1090 15.427,1091 2.056,1092 6.896,1093 27.375,1094 3.265,1095 16.752,1096 21.373,1097 2.839,1098 33.848,1099 16.551,1100 1.959,1101 6.012,1102 29.242,1103 2.87,1104 17.868,1105 22.851,1106 0.236,1107 36.209,1108 17.657,1109 14064,1110 22967,1111 23.868,1112 38.921,1113 53.678,1114 54.264,1115 54.493,1116 53.305,1117 53.107,1118 67.815,1119 6.439,1120 155.118,1121 51.031,1122 5.569,1123 5.522,1124 6.249,1125 5.237,1126 5.165,1127 7.54,1128 2.302,1129 18.066,1130 5.123,1131 13.5,1132 1.534,1133 1.55,1134 1.557,1135 1.523,1136 1.517,1137 1.938,1138 0.184,1139 4.432,1140 1.458,1141 4.144,1142 4.175,1143 4.149,1144 4.069,1145 7.437,1146 4.073,1147 4.014,1148 4.036,1149 3.96,1150 3.943,1151 5.044,1152 3.943,1153 3.814,1154 3.871,1155 3.777,1156 3.688,1157 4.904,1158 3.686,1159 3.582,1160 3.617,1161 3.602,1162 3.428,1163 4.748,1164 3.433,1165 3.433,1166 3.484,1167 3.48,1168 3.292,1169 4.677,1170 3.293,1171 3.336,1172 3.402,1173 3.217,1174 3.196,1175 4.408,1176 3.182,1177 3.223,1178 3.288,1179 3.099,1180 2.989,1181 4.366,1182 3.008,1183 3.042,1184 3.131,1185 2.967,1186 2.879,1187 3.999,1188 2.858,1189 0.132,1190 0.101,1191 0.192,1192 0.119,1193 0.09,1194 4.604,1195 0.13,1196 3.522,1197 0.033,1198 6.712,1199 0.312,1200 4.152,1201 0.089,1202 3.165,1203 4.54,1204 1.151,1205 10.913,1206 3.123,1207 1.987,1208 1.967,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.953,1214 1.934,1215 2.044,1216 2.03,1217 1.303,1218 2.038,1219 1.819,1220 1.773,1221 1.951,1222 1.965,1223 1.135,1224 1.968,1225 1.562,1226 1.518,1227 1.758,1228 1.752,1229 1.039,1230 1.75,1231 1.439,1232 1.385,1233 1.664,1234 1.665,1235 0.86,1236 1.66,1237 1.345,1238 1.275,1239 1.573,1240 1.547,1241 0.704,1242 1.573,1243 1.137,1244 1.082,1245 1.43,1246 1.436,1247 0.671,1248 1.425,1249 1.081,1250 1,1251 1.36,1252 1.297,1253 0.458,1254 1.348,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.433,1266 6.113,1269 5.431,1271 6.446,1273 6.061,1275 0.078,1276 2.477,1280 36.643,1281 87.412,1282 221.607,1283 292.965,1284 316.475,1285 316.475,1286 316.475,1287 47.125,1288 8.402,1289 71.35,1290 71.35,1291 29,1292 12.76,1293 4.248,1294 3.459,1295 44.035,1296 152,1297 137,1298 0.141,1299 223.974,1300 388.59,1301 538.256,1302 62537,1303 1.8,1304 21.372,1305 0.689,1306 0.585,1307 21.872,1308 18.121,1309 15.081,1310 0.431,1311 0.32,1312 10.73,1313 14.356,1314 10.488,1315 8.562,1316 15.369,1317 11.187,1318 13.874,1319 0.277,1320 0.176,1321 14.282,1322 8.785,1323 11.947,1324 0.176,1325 0.098,1326 12.209,1327 6.69,1328 10.075,1329 0.112,1330 0.055,1331 10.31,1332 4.924,1333 8.384,1334 0.072,1335 0.031,1336 8.627,1337 3.606,1338 0.229,1339 96.499,1340 0.205,1341 29.624,1342 0.367,1343 170,1344 432.965,1345 196.106,1346 451.774,1347 613.92,1348 424,1349 203,1350 427.974,1351 223.403,1352 445.817,1353 657.55,1354 422,1355 6.839} {0 CHEMBL309976,1 1.532,2 6.308,3 2.095,4 4.389,5 56.692,6 9.964,7 0.429,8 3.27,9 3.396,10 3.103,11 2.906,12 4.264,13 2.842,14 3.791,15 3.975,16 3.504,17 3.281,18 4.75,19 3.175,20 3.963,21 4.206,22 3.38,23 3.294,24 4.812,25 3.109,26 3.753,27 4.002,28 3.009,29 3.044,30 4.535,31 2.846,32 3.638,33 3.931,34 2.926,35 2.834,36 4.434,37 2.69,38 3.402,39 3.617,40 2.815,41 2.765,42 4.266,43 2.573,44 3.29,45 3.583,46 2.98,47 2.448,48 4.004,49 2.205,50 2.728,51 3.038,52 2.725,53 2.055,54 3.283,55 1.709,56 0.017,57 0.343,58 3.004,59 2.104,60 2.885,61 2.831,62 0.083,63 0.56,64 7.605,65 3.753,66 8.631,67 4.961,68 0.129,69 0.604,70 20.29,71 5.115,72 14.236,73 6.372,74 0.058,75 0.471,76 18.275,77 4.599,78 9.081,79 5.822,80 0.081,81 0.432,82 11.423,83 3.44,84 10.015,85 4.613,86 0.066,87 0.341,88 13.8,89 3.025,90 7.56,91 3.625,92 0.09,93 0.264,94 11.191,95 2.705,96 7.932,97 3.655,98 0.034,99 0.125,100 11.28,101 2.197,102 3.269,103 2.449,104 2,105 18,106 0.315,107 0.674,108 0.789,109 0.824,110 0.824,111 0.824,112 2.666,113 1.104,114 -3.93,115 -3.88,116 -3.68,117 1,119 41.7,121 1,125 2,140 4,141 1,142 1,156 1,169 5,172 1,174 1,176 1,178 8,182 1,186 1,189 6,193 2,197 2,199 1,203 2,208 2,211 1,226 1,231 1,259 140,260 8.861,261 8.861,262 8.861,263 8.861,264 8.861,265 7.801,266 11.279,267 5.456,268 9.161,269 6.933,270 6.933,271 6.933,272 6.933,273 6.933,274 5.405,275 12.559,276 2.645,277 7.481,278 3.053,279 1.313,280 0.75,281 0.583,282 0.583,283 0.583,284 3.308,288 1,289 1,290 173,291 1.581,294 34.639,295 40.128,302 1.101,303 6.247,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 26.75,315 82,316 4.068,317 3.218,318 5.602,319 3.681,320 2.716,321 3.636,322 1.505,323 7.749,324 2.623,325 3.805,326 2.89,327 5.173,328 3.34,329 2.426,330 3.112,331 0.368,332 6.476,333 2.209,334 3.346,335 2.427,336 4.817,337 2.899,338 2,339 2.61,340 0.265,341 5.487,342 1.676,343 2.5,344 1.46,345 3.421,346 2.125,347 1.166,348 1.5,350 2.56,351 1.106,352 2.241,353 1.093,354 3.414,355 2,356 1,357 1.217,359 2.275,360 1,361 1.774,362 1,363 3,364 1.518,365 0.618,366 0.666,368 1.372,369 0.556,370 1.355,371 0.656,372 2.681,373 1.01,374 0.111,375 0.132,377 0.258,378 0.081,379 0.644,380 -0.021,381 2,382 0.271,383 -0.586,384 -0.677,386 -1.46,387 -0.39,388 0.5,389 -0.804,390 1.809,392 -1,393 -1.407,395 -2.947,396 -1,397 -0.072,398 -1,399 1.295,400 -0.48,401 -1.277,402 -1.5,404 -3,405 -1.008,406 -0.301,407 -1.055,408 1,409 -0.718,410 -1.59,411 -1.758,413 -3.6,414 -1.456,415 -0.469,416 -1.366,417 0.817,418 -0.742,419 -1.618,420 -2.118,421 -0.199,422 -4.372,423 -1.494,424 -0.5,425 -1.559,426 0.586,427 -1,428 -1.966,429 -2.414,430 -0.795,431 -5.275,432 -1.904,433 -0.89,434 -2,435 0.385,436 -1.005,437 -2,438 -3,439 -1.145,440 -5.524,441 -2,451 7.133,452 0.549,453 0.243,454 0.019,455 15.5,456 1.192,457 7.5,458 0.577,459 8,460 0.615,461 9.197,462 0.707,463 13.267,464 0.553,465 6.846,466 0.527,467 2.95,468 0.227,469 3.393,470 0.261,471 0.187,473 0.21,479 0.84,480 1.228,481 0.472,482 0.743,483 0.808,484 0.835,485 0.944,486 1.051,487 0.553,488 0.759,489 0.95,490 0.903,491 1.347,492 0.871,493 0.969,494 0.945,495 1.334,496 1.035,497 0.705,498 1.188,499 0.897,500 1.107,501 0.68,502 1.12,503 0.923,504 0.829,505 0.337,506 0.506,507 0.811,508 0.616,509 1.438,510 1.159,511 1.318,512 1.292,513 1.576,514 1.307,515 0.162,516 0.989,517 0.747,518 1.024,519 0.475,520 0.983,521 0.817,522 0.532,523 2.088,524 1.1,525 0.708,526 0.787,527 2.5,529 0.889,530 0.472,531 0.377,532 0.111,533 0.15,534 0.077,535 0.031,537 1165,538 3417,539 2.082,540 45.8,542 8,545 1,546 2,550 1.476,551 2,552 2.734,553 -0.202,557 1,559 36.766,560 1.532,561 3.272,562 3.835,563 4.002,564 4.002,565 4.002,566 2.237,567 3.085,568 3.676,569 2.791,570 217.704,571 6.053,572 1604.13,574 1,577 110.039,578 1.14,579 3.655,580 0.179,582 0.049,583 0.036,584 0.038,585 0.011,586 0.021,587 0.019,588 0.016,590 0.37,591 1,592 1,593 0.569,594 47.981,595 -0.052,596 -0.101,597 -0.001,598 -0.002,599 -0.034,600 0.014,601 0.01,602 0.035,603 0.014,604 0.021,605 -0.014,606 -0.039,607 -0.302,608 0.124,609 -0.076,610 -0.024,611 -0.293,612 -0.106,613 0.035,614 -0.302,615 -0.061,616 -0.175,617 0.133,618 -0.143,619 0.03,620 0.125,621 0.107,622 0.271,623 0.183,624 0.303,625 -0.346,626 -0.168,627 -0.186,628 -0.296,629 -0.509,630 -0.37,631 0.623,632 -0.173,633 0.173,634 -0.04,635 0.39,636 0.038,637 0.183,638 0.158,639 0.062,640 0.39,641 0.231,642 0.423,643 0.578,644 1.347,645 0.846,646 6.213,647 0.994,648 1.121,649 2.695,650 7.265,651 0.715,652 2.708,653 2.944,654 3.091,655 3.258,656 3.296,657 3.135,658 3.135,659 3.045,660 2.833,661 2.565,662 3.904,663 0.654,664 239.13,665 2.708,666 4.174,667 4.963,668 5.784,669 6.589,670 7.412,671 8.223,672 9.045,673 9.859,674 10.68,675 8.3,677 1,684 1,688 4,693 2,695 6,713 1,714 24,716 7,717 1,718 14,719 1,720 25,721 10,722 6,723 2,724 4,730 2,731 2,743 1,745 7,746 3,750 1,758 1,759 1,761 1,764 11,765 2,766 1,767 3,768 1,773 2,774 1,777 1,792 1,793 1,814 1,819 2,822 1,827 13,833 3,834 1,846 1,854 6.5,855 4.176,856 2.917,857 1.429,858 1.412,859 1.263,860 0.992,861 2.764,862 6.778,863 2.944,864 3.45,865 3.855,866 4.296,867 4.69,868 4.543,869 4.696,870 4.875,871 4.766,872 4.577,873 1,874 13,875 4.786,876 -0.003,877 1.927,878 7.481,879 9.415,880 -0.001,881 7.514,882 0.001,883 1.981,884 25.75,885 0.014,888 117.711,889 53.22,890 80.75,895 99.174,896 117.711,897 34.796,899 6.746,900 55.916,901 2.328,902 23.026,904 117.711,905 45.954,906 117.711,907 88.016,910 45.954,911 117.711,915 41.542,916 46.474,918 45.954,919 117.711,920 34.796,921 99.174,924 117.711,925 15.315,926 37.905,927 63.965,928 16.786,929 117.711,930 34.796,931 99.174,933 0.564,934 0.306,935 0.157,936 0.078,937 9,938 3,939 0.08,940 2,942 1,943 2.655,944 74.41,946 11,947 44.106,951 8.915,952 4.031,953 2.39,955 34.796,956 8.356,961 2.425,963 18.011,964 251.681,965 18,973 4.347,974 1.113,975 23.851,976 26.914,977 0.334,978 0.714,979 0.836,980 0.873,981 0.873,982 0.873,983 4.119,984 -0.586,985 4.89,986 0.258,987 3.611,988 4.127,989 1.696,990 5.549,991 3.474,992 5.274,993 -1,994 6.347,995 -1.46,996 2.944,997 3.689,998 0.904,999 6.071,1000 2.614,1001 6.534,1002 -1.277,1003 7.892,1004 -2.947,1005 5.056,1006 6.168,1007 2.113,1008 9.076,1009 4.815,1010 7.827,1011 -1.59,1012 9.487,1013 -3,1014 5.198,1015 6.496,1016 1.864,1017 10.391,1018 4.794,1019 9.146,1020 -1.618,1021 11.112,1022 -3.6,1023 6.727,1024 8.437,1025 2.717,1026 12.844,1027 6.401,1028 10.481,1029 -1.966,1030 12.756,1031 -4.372,1032 7.255,1033 9.12,1034 2.755,1035 14.505,1036 6.804,1037 11.827,1038 -2,1039 14.414,1040 -5.275,1041 8.517,1042 10.815,1043 3.416,1044 16.737,1045 8.118,1046 2.716,1048 16.081,1049 -5.524,1050 9.247,1051 11.7,1052 3.615,1053 18.575,1054 8.754,1055 2.426,1056 7.749,1057 17.755,1059 10.375,1060 13.256,1061 4.169,1062 20.705,1063 9.911,1064 2,1065 6.476,1066 19.435,1067 3.636,1068 11.217,1069 14.269,1070 4.458,1071 22.637,1072 10.681,1073 1.166,1074 5.487,1075 21.119,1076 3.112,1077 12.277,1078 15.739,1079 4.951,1080 24.72,1081 11.751,1082 1,1083 2.56,1084 22.806,1085 2.61,1086 13.182,1087 16.837,1088 5.291,1089 26.704,1090 12.6,1091 0.618,1092 2.275,1093 24.496,1094 1.5,1095 14.208,1096 18.249,1097 5.749,1098 28.764,1099 13.622,1100 0.111,1101 1.372,1102 26.189,1103 1.217,1104 15.149,1105 19.407,1106 6.119,1107 30.776,1108 14.518,1109 1184,1110 2086,1111 9.534,1112 17.171,1113 20.178,1114 20.547,1115 20.215,1116 20.247,1117 20.074,1118 25.746,1119 4.277,1120 52.355,1121 18.505,1122 4.959,1123 5.218,1124 5.217,1125 4.686,1126 4.716,1127 6.636,1128 2.65,1129 13.273,1130 4.623,1131 4.052,1132 1.441,1133 1.468,1134 1.444,1135 1.446,1136 1.434,1137 1.839,1138 0.306,1139 3.74,1140 1.322,1141 3.946,1142 3.984,1143 6.88,1144 3.896,1145 4.8,1146 3.878,1147 3.738,1148 3.801,1149 3.826,1150 3.557,1151 4.658,1152 3.568,1153 3.148,1154 3.208,1155 3.603,1156 3.081,1157 3.805,1158 3.032,1159 2.854,1160 2.925,1161 2.882,1162 2.735,1163 3.674,1164 2.715,1165 2.631,1166 2.701,1167 2.687,1168 2.575,1169 3.523,1170 2.512,1171 2.551,1172 2.682,1173 2.343,1174 2.186,1175 3.275,1176 2.188,1177 2.179,1178 2.319,1179 2.291,1180 1.928,1181 2.848,1182 1.866,1183 1.616,1184 1.811,1185 1.783,1186 1.606,1187 2.478,1188 1.392,1189 0.291,1190 0.23,1191 0.4,1192 0.263,1193 0.194,1194 4.068,1195 0.26,1196 3.218,1197 0.108,1198 5.602,1199 0.554,1200 3.681,1201 0.187,1202 2.716,1203 3.636,1204 1.505,1205 7.749,1206 2.623,1207 1.912,1208 1.889,1209 2.004,1210 1.981,1211 1.177,1212 1.999,1213 1.448,1214 1.376,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.413,1220 1.345,1221 1.569,1222 1.623,1223 0.749,1224 1.615,1225 0.886,1226 0.821,1227 1.181,1228 1.082,1229 0.229,1230 1.111,1231 0.862,1232 0.804,1233 1.105,1234 1.062,1235 0.218,1236 1.107,1237 0.417,1238 0.311,1239 0.76,1240 0.65,1242 0.718,1245 0.58,1246 0.412,1248 0.487,1251 0.381,1252 0.133,1254 0.23,1255 3.367,1257 4.615,1258 2.398,1259 6.038,1260 4.443,1261 7.537,1262 6.26,1263 9.077,1264 3.412,1271 2.838,1272 3.258,1280 15.702,1281 36.766,1282 78.529,1283 92.039,1284 96.039,1285 96.039,1286 96.039,1287 11.578,1288 5.366,1289 24.39,1290 24.39,1291 11,1292 11.261,1293 3,1294 2.322,1295 19.329,1296 30,1297 26,1298 0.328,1299 105.7,1300 176.66,1301 249.668,1302 1097,1303 4.2,1304 9.096,1305 0.7,1306 0.68,1307 10.096,1308 8.842,1309 6.343,1310 0.453,1311 0.368,1312 4.371,1313 5.63,1314 4.223,1315 3.481,1316 6.921,1317 5.154,1318 5.512,1319 0.306,1320 0.221,1321 6.329,1322 3.974,1323 4.277,1324 0.204,1325 0.122,1326 4.854,1327 2.557,1328 3.282,1329 0.131,1330 0.065,1331 3.616,1332 1.625,1333 2.312,1334 0.089,1335 0.043,1336 2.783,1337 1.125,1338 0.5,1339 47.34,1340 0.324,1341 13.391,1342 0.925,1343 64,1344 162.632,1345 133.368,1346 198.526,1347 261.07,1348 186,1349 71,1350 161.536,1351 102.622,1352 177.895,1353 255.18,1354 168,1355 5.358} {0 CHEMBL310061,1 1.368,2 13.156,3 3.971,4 15.768,5 128.425,6 7.077,7 0.583,8 4.186,9 4.321,10 3.73,11 3.744,12 5.232,13 3.712,14 4.743,15 4.936,16 4.071,17 4.178,18 5.651,19 4.116,20 5.009,21 5.232,22 4.045,23 4.338,24 5.832,25 4.213,26 5.157,27 5.433,28 4.016,29 4.347,30 5.952,31 4.2,32 5.093,33 5.362,34 4.047,35 4.305,36 5.931,37 4.173,38 5.067,39 5.331,40 4.044,41 4.285,42 5.976,43 4.17,44 5.017,45 5.262,46 3.931,47 4.252,48 5.904,49 4.11,50 5.038,51 5.334,52 3.769,53 4.144,54 5.825,55 3.98,56 0.052,57 0.931,58 12.926,59 5.162,60 13.889,61 7.336,62 0.245,63 1.541,64 24.301,65 8.755,66 20.159,67 12.671,68 0.198,69 1.862,70 32.449,71 12.703,72 24.15,73 18.383,74 0.334,75 2.038,76 39.904,77 14.379,78 45.043,79 21.352,80 0.292,81 1.937,82 37.109,83 13.715,84 39.391,85 20.275,86 0.354,87 1.933,88 36.209,89 12.119,90 50.616,91 18.193,92 0.281,93 1.839,94 33.595,95 12.392,96 41.933,97 18.193,98 0.341,99 1.764,100 36.26,101 12.355,102 48.084,103 18.641,104 6,105 50,106 0.219,107 0.593,108 0.807,109 0.876,110 0.883,111 0.883,112 3.502,113 0.93,114 -4.46,115 -4.39,116 -4.13,119 43.3,121 2,122 1,124 1,125 3,127 1,140 8,141 3,142 1,143 1,149 2,150 1,156 1,158 1,169 11,171 2,172 7,176 3,178 11,182 6,186 3,189 9,192 1,193 8,199 5,203 9,206 2,208 1,211 6,214 1,215 6,220 1,222 6,225 1,226 8,229 1,233 6,237 5,240 1,244 5,248 1,249 4,256 5,259 1834,260 22.195,261 22.195,262 22.195,263 22.195,264 22.195,265 19.626,266 25.814,267 13.19,268 22.676,269 17.775,270 17.775,271 17.775,272 17.775,273 17.775,274 13.932,275 29.824,276 6.266,277 18.516,278 4.539,279 2.194,280 0.858,281 0.425,282 0.379,283 0.379,284 4.211,288 1,289 1,290 937,291 3.391,294 254.212,295 208.185,298 137.811,302 2.104,303 14.759,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 421,316 4.573,317 3.974,318 6.579,319 4.12,320 3.14,321 4.519,322 1.393,323 10.491,324 3.081,325 4.135,326 3.261,327 6.165,328 3.896,329 2.939,330 3.732,331 0.8,332 9.18,333 2.814,334 4.001,335 3.097,336 6.081,337 3.684,338 2.744,339 3.461,340 0.563,341 8.84,342 2.585,343 3.906,344 2.878,345 5.612,346 3.605,347 2.643,348 2.993,350 7.746,351 2.549,352 3.674,353 2.839,354 5.24,355 3.242,356 2.279,357 2.779,359 6.599,360 2.185,361 3.407,362 2.365,363 5.093,364 2.978,365 2.007,366 2.641,368 5.929,369 1.942,370 3.248,371 2.144,372 4.764,373 2.757,374 1.799,375 2.559,377 5.113,378 1.719,379 3.049,380 1.836,381 4.514,382 2.703,383 1.744,384 2.043,386 4.654,387 1.667,388 2.913,389 1.791,390 4.223,391 2.401,392 1.41,393 1.914,395 3.696,396 1.395,397 2.726,398 1.464,399 4.02,400 2.302,401 1.336,402 1.801,404 3.184,405 1.287,406 2.5,407 1.455,408 3.584,409 2.143,410 1.186,411 1.5,413 3.017,414 1.132,415 2.469,416 1.24,417 3.341,418 2,419 1,420 1.391,422 2.139,423 1,424 2.41,425 1,426 3.247,427 1.856,428 0.912,429 1.253,431 2.136,432 0.859,433 2.292,434 0.953,435 3.209,436 1.568,437 0.618,438 0.927,440 1.525,441 0.585,442 2.118,443 0.672,444 3,445 1.551,446 0.616,447 0.867,449 1.372,450 0.576,451 15.4,452 0.481,453 0.653,454 0.02,455 42.5,456 1.328,457 21,458 0.656,459 21.5,460 0.672,461 27.69,462 0.865,463 33.2,464 0.553,465 30.509,466 0.953,467 8.215,468 0.257,469 7.476,470 0.234,471 0.058,473 0.305,479 0.952,480 1.424,481 0.825,482 1.101,483 0.488,484 0.976,485 1.253,486 0.974,487 0.993,488 0.902,489 0.506,490 0.917,491 0.923,492 1.177,493 1.129,494 1.218,495 0.614,496 1.199,497 0.951,498 0.93,499 0.978,500 0.961,501 0.993,502 0.97,503 0.748,504 1.006,505 0.873,506 0.981,507 0.855,508 0.947,509 1.277,510 0.929,511 1.013,512 0.887,513 1.525,514 0.917,515 0.976,516 1.162,517 1.167,518 1.223,519 1.189,520 1.216,521 1.074,522 0.883,523 0.994,524 0.911,525 1.285,526 0.939,527 6,528 0.16,529 2.889,530 2.111,531 1.094,532 1.129,533 0.628,534 0.407,535 0.302,536 0.218,537 16027,538 36707,539 2.174,540 46.7,542 18,543 2,544 2,545 1,547 4,548 1,550 1.743,551 2.087,552 3.683,553 -0.403,559 82.086,560 1.368,561 3.713,562 5.048,563 5.482,564 5.528,565 5.528,566 3.129,567 4.414,568 4.971,569 3.864,570 1916.41,571 8.686,572 28673.7,574 1,577 354.413,578 1.198,579 4.954,580 0.167,581 0.006,582 0.058,583 0.046,584 0.025,585 0.025,586 0.014,587 0.01,588 0.009,589 0.007,590 0.366,591 0.17,592 0.88,593 0.563,594 169.9,595 0.028,596 -0.253,597 0.079,598 -0.08,599 0.134,600 -0.01,601 -0.084,602 0.153,603 -0.041,604 0.074,605 0.013,606 0.031,607 -0.1,608 -0.168,609 -0.185,610 -0.202,611 -0.035,612 -0.202,613 -0.02,614 0.017,615 0.013,616 0.025,617 -0.043,618 0.023,619 0.137,620 -0.059,621 0.112,622 0.014,623 0.06,624 0.053,625 -0.117,626 0.078,627 -0.012,628 0.068,629 -0.091,630 0.044,631 -0.018,632 -0.168,633 -0.196,634 -0.236,635 -0.114,636 -0.235,637 -0.043,638 0.047,639 0.02,640 0.053,641 -0.125,642 0.045,643 0.854,644 3.661,645 0.781,646 35.664,647 0.989,648 1.126,649 3.229,650 10.429,651 0.673,652 3.611,653 3.932,654 4.22,655 4.5,656 4.654,657 4.771,658 4.956,659 5.106,660 5.176,661 5.263,662 7.757,663 0.632,664 424.6,665 3.611,666 5.153,667 6.009,668 6.887,669 7.757,670 8.641,671 9.519,672 10.406,673 11.288,674 12.178,675 10,678 2,683 2,684 1,685 1,687 2,688 12,689 1,690 1,693 3,694 1,695 21,714 60,716 22,717 2,718 36,720 64,721 26,722 17,723 4,724 8,730 5,731 6,740 2,741 1,743 3,744 1,745 17,746 8,747 1,764 28,765 4,766 1,767 6,770 1,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,815 2,819 4,823 1,827 32,833 5,837 2,838 2,840 1,843 1,845 1,854 15.333,855 10.917,856 7.028,857 3.587,858 3.557,859 1.434,860 1.01,861 5.985,862 11.753,863 3.902,864 4.466,865 5.055,866 5.633,867 6.074,868 6.418,869 6.885,870 7.321,871 7.541,872 7.792,873 0.889,874 46,875 11.804,877 5.001,878 7.516,879 23.252,881 19.686,883 2.016,884 64.5,887 1,888 317.82,889 161.371,890 72.778,895 161.371,896 317.82,897 72.778,898 8.396,899 11.386,900 93.905,901 65.119,902 76.741,903 25.686,904 270.735,906 317.82,907 234.149,911 258.964,912 58.856,915 85.045,916 132.319,917 16.786,919 317.82,920 72.778,921 161.371,924 317.82,925 25.231,926 128.115,927 32.958,928 47.845,929 317.82,930 72.778,931 161.371,933 0.577,934 0.34,935 0.187,936 0.095,937 25,938 10,939 0.109,940 7,941 1,942 1.08,943 4.475,944 294.436,945 0.08,946 25,947 156,951 20.816,952 9.2,953 4.603,954 2.44,955 54.094,956 24.512,957 4.169,958 3.435,961 3.657,962 2.039,963 16.786,964 551.969,965 48.5,975 59.33,976 67.557,977 0.232,978 0.629,979 0.855,980 0.928,981 0.936,982 0.936,983 5.143,984 1.744,985 5.979,986 5.113,987 4.615,988 5.153,989 1.848,990 6.774,991 4.54,992 6.333,993 1.41,994 7.521,995 4.654,996 4.111,997 4.783,998 0.57,999 7.6,1000 3.995,1001 7.622,1002 1.336,1003 9.161,1004 3.696,1005 6.192,1006 7.312,1007 2.129,1008 10.704,1009 6.048,1010 8.945,1011 1.186,1012 10.858,1013 3.184,1014 6.553,1015 7.884,1016 0.997,1017 12.38,1018 6.365,1019 10.302,1020 1,1021 12.593,1022 3.017,1023 8.049,1024 9.805,1025 2.612,1026 14.965,1027 7.841,1028 11.683,1029 0.912,1030 14.355,1031 2.139,1032 8.805,1033 10.842,1034 1.592,1035 16.997,1036 8.559,1037 13.084,1038 0.618,1039 16.135,1040 2.136,1041 10.067,1042 12.511,1043 3.17,1044 19.403,1045 9.803,1046 3.14,1047 0.616,1048 17.929,1049 1.525,1050 11.009,1051 13.785,1052 2.294,1053 21.592,1054 10.713,1055 2.939,1056 10.491,1057 19.735,1058 1.372,1059 12.176,1060 15.349,1061 3.761,1062 23.936,1063 11.861,1064 2.744,1065 9.18,1066 21.55,1067 4.519,1068 13.206,1069 16.74,1070 3.033,1071 26.197,1072 12.866,1073 2.643,1074 8.84,1075 23.372,1076 3.732,1077 14.336,1078 18.262,1079 4.369,1080 28.523,1081 13.977,1082 2.279,1083 7.746,1084 25.2,1085 3.461,1086 15.409,1087 19.71,1088 3.777,1089 30.819,1090 15.029,1091 2.007,1092 6.599,1093 27.033,1094 2.993,1095 16.527,1096 21.217,1097 4.986,1098 33.143,1099 16.129,1100 1.799,1101 5.929,1102 28.871,1103 2.779,1104 17.622,1105 22.694,1106 4.515,1107 35.457,1108 17.205,1109 14764,1110 22461,1111 24.849,1112 40.41,1113 55.81,1114 56.288,1115 54.351,1116 53.512,1117 53.572,1118 70.185,1119 5.512,1120 152.449,1121 51.506,1122 5.536,1123 5.974,1124 6.381,1125 5.18,1126 5.14,1127 7.519,1128 2.698,1129 17.294,1130 5.081,1131 10.569,1132 1.55,1133 1.564,1134 1.51,1135 1.486,1136 1.488,1137 1.95,1138 0.153,1139 4.235,1140 1.431,1141 4.161,1142 4.199,1143 4.119,1144 4.069,1145 6.821,1146 4.077,1147 3.946,1148 3.996,1149 3.865,1150 3.861,1151 5.032,1152 3.855,1153 3.883,1154 3.936,1155 3.817,1156 3.75,1157 4.876,1158 3.752,1159 3.831,1160 3.889,1161 3.749,1162 3.646,1163 4.752,1164 3.672,1165 3.52,1166 3.594,1167 3.444,1168 3.328,1169 4.39,1170 3.341,1171 3.349,1172 3.405,1173 3.252,1174 3.214,1175 4.225,1176 3.221,1177 3.148,1178 3.25,1179 2.98,1180 2.953,1181 3.99,1182 2.945,1183 3.109,1184 3.195,1185 2.916,1186 2.903,1187 3.796,1188 2.892,1189 0.127,1190 0.11,1191 0.183,1192 0.114,1193 0.087,1194 4.573,1195 0.126,1196 3.974,1197 0.039,1198 6.579,1199 0.291,1200 4.12,1201 0.086,1202 3.14,1203 4.519,1204 1.393,1205 10.491,1206 3.081,1207 1.961,1208 1.937,1209 2.048,1210 2.052,1211 1.363,1212 2.05,1213 1.915,1214 1.884,1215 2.039,1216 2.013,1217 1.246,1218 2.026,1219 1.727,1220 1.674,1221 1.922,1222 1.883,1223 1.145,1224 1.897,1225 1.653,1226 1.59,1227 1.855,1228 1.852,1229 1.103,1230 1.861,1231 1.439,1232 1.371,1233 1.642,1234 1.691,1235 0.767,1236 1.675,1237 1.392,1238 1.325,1239 1.571,1240 1.604,1241 0.716,1242 1.602,1243 1.325,1244 1.256,1245 1.535,1246 1.535,1247 0.634,1248 1.539,1249 1.273,1250 1.203,1251 1.437,1252 1.515,1253 0.523,1254 1.5,1255 4.29,1257 5.609,1258 3.434,1259 7.106,1260 5.733,1261 8.682,1262 7.758,1263 10.304,1265 2.213,1271 4.635,1275 0.98,1276 4.362,1278 9.661,1279 2.399,1280 37.923,1281 82.086,1282 222.791,1283 302.904,1284 328.904,1285 331.659,1286 331.659,1287 43.632,1288 8.196,1289 63.88,1290 63.88,1291 27,1292 12.709,1293 4.524,1294 3.755,1295 45.836,1296 149,1297 147,1298 0.147,1299 231.769,1300 389.92,1301 557.276,1302 47349,1304 21.916,1305 0.685,1306 0.574,1307 21.916,1308 18.355,1309 15.691,1310 0.436,1311 0.31,1312 11.035,1313 15.201,1314 10.744,1315 8.921,1316 15.691,1317 11.165,1318 13.939,1319 0.279,1320 0.178,1321 13.939,1322 8.879,1323 12.056,1324 0.18,1325 0.099,1326 12.056,1327 6.62,1328 10.21,1329 0.115,1330 0.056,1331 10.21,1332 4.985,1333 7.717,1334 0.074,1335 0.032,1336 7.717,1337 3.293,1338 0.235,1339 97.3,1340 0.201,1341 30.265,1342 0.391,1343 172,1344 404.558,1345 182.491,1346 408.485,1347 569.65,1348 384,1349 203,1350 427.944,1351 215.351,1352 442.98,1353 637.56,1354 414,1355 8.481} {0 CHEMBL310082,1 1.463,2 14.625,3 4.141,4 17.146,5 126.217,6 7.298,7 0.472,8 4.171,9 4.286,10 3.727,11 3.765,12 5.233,13 3.733,14 4.738,15 4.899,16 4.101,17 4.191,18 5.802,19 4.137,20 5.036,21 5.233,22 4.171,23 4.376,24 6.024,25 4.285,26 5.113,27 5.337,28 4.05,29 4.364,30 6.035,31 4.23,32 5.127,33 5.396,34 3.941,35 4.266,36 5.952,37 4.114,38 5.01,39 5.276,40 3.853,41 4.125,42 5.856,43 3.996,44 4.876,45 5.111,46 3.801,47 4.075,48 5.815,49 3.949,50 4.868,51 5.127,52 3.638,53 4.029,54 5.695,55 3.865,56 0.027,57 0.868,58 12.144,59 5.792,60 8.723,61 7.384,62 0.201,63 1.462,64 23.467,65 10.021,66 30.807,67 12.955,68 0.283,69 1.902,70 33.465,71 13.922,72 46.279,73 18.087,74 0.298,75 1.973,76 36.957,77 15.315,78 49.973,79 20.611,80 0.268,81 1.939,82 39.511,83 15.512,84 52.029,85 21.606,86 0.374,87 1.726,88 35.718,89 12.871,90 55.529,91 17.722,92 0.435,93 1.502,94 29.99,95 11.235,96 54.473,97 15.421,98 0.215,99 1.505,100 30.013,101 11.927,102 41.751,103 16.55,104 11,105 51,106 0.236,107 0.587,108 0.789,109 0.894,110 0.905,111 0.905,112 3.502,113 0.935,114 -5.37,115 -5.25,116 -4.91,119 45.8,121 3,125 4,127 1,134 1,135 1,140 9,141 6,142 1,156 1,161 1,162 1,163 1,169 19,172 7,173 1,174 1,176 1,178 26,180 1,182 5,186 2,189 23,191 2,192 1,193 6,197 2,199 16,201 2,203 7,208 2,211 9,213 2,215 7,222 7,225 1,226 5,228 1,229 1,231 1,233 7,235 1,237 3,244 11,248 1,249 2,251 1,252 1,256 11,259 1744,260 21.825,261 21.825,262 21.825,263 21.825,264 21.825,265 19.469,266 21.562,267 12.706,268 22.113,269 17.775,270 17.775,271 17.775,272 17.775,273 17.775,274 14.141,275 22.352,276 6.038,277 18.244,278 4.42,279 2.243,280 0.992,281 0.339,282 0.271,283 0.271,284 4.215,288 1,289 1,290 1040,291 3.162,295 452.416,299 301.849,302 2.234,303 29.785,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68.5,315 468,316 4.468,317 3.522,318 6.529,319 4.064,320 3.077,321 4.388,322 1.151,323 10.291,324 3.037,325 4.384,326 3.368,327 6.3,328 4.013,329 3.017,330 4.006,331 0.98,332 9.616,333 3.005,334 4.091,335 3.135,336 6.014,337 3.72,338 2.738,339 3.549,340 0.916,341 8.639,342 2.693,343 3.931,344 2.999,345 5.903,346 3.64,347 2.64,348 3.265,349 0.172,350 8.139,351 2.631,352 3.568,353 2.733,354 5.343,355 3.336,356 2.397,357 2.912,359 6.934,360 2.244,361 3.416,362 2.509,363 5.135,364 3.049,365 2.105,366 2.512,368 6.007,369 1.972,370 3.168,371 2.449,372 4.961,373 2.951,374 1.985,375 2.427,377 5.815,378 1.901,379 3.118,380 1.979,381 4.449,382 2.618,383 1.618,384 2.267,386 4.421,387 1.618,388 2.903,389 1.792,390 4.311,391 2.534,392 1.57,393 1.996,395 4.046,396 1.508,397 2.874,398 1.64,399 4.185,400 2.433,401 1.449,402 1.933,404 3.809,405 1.42,406 2.598,407 1.618,408 3.783,409 2.179,410 1.182,411 1.567,413 2.832,414 1.164,415 2.221,416 1.407,417 3.447,418 1.989,419 1.018,420 1.182,422 2.393,423 0.983,424 2.204,425 1.168,426 3.414,427 1.984,428 1,429 1.068,431 2.275,432 0.981,433 2.068,434 0.79,435 3.278,436 1.717,437 0.723,438 1.033,440 1.725,441 0.717,442 1.673,443 0.76,444 3.155,445 1.537,446 0.568,447 0.617,449 1.366,450 0.547,451 15.252,452 0.477,453 0.78,454 0.024,455 39,456 1.219,457 19,458 0.594,459 20,460 0.625,461 28.969,462 0.905,463 33.948,464 0.575,465 29.338,466 0.917,467 7.7,468 0.241,469 7.864,470 0.246,471 0.067,473 0.354,477 1,479 0.662,480 1.004,481 0.782,482 0.988,483 0.592,484 0.916,485 0.852,486 0.928,487 0.911,488 0.954,489 0.499,490 0.941,491 0.989,492 0.967,493 1.044,494 1.028,495 0.796,496 1.043,497 0.742,498 1.031,499 1.089,500 1.18,501 0.688,502 1.195,503 0.64,504 0.962,505 0.886,506 1.033,507 0.569,508 1.01,509 0.977,510 0.866,511 0.961,512 0.895,513 0.798,514 0.915,515 0.794,516 0.853,517 1.063,518 0.997,519 0.701,520 1.057,521 0.655,522 0.995,523 1.017,524 1.11,525 0.633,526 1.125,527 6.5,528 0.149,529 4,530 1.5,531 1.916,532 1.063,533 0.567,534 0.34,535 0.307,536 0.218,537 16974,538 43790,539 2.154,540 45.8,542 19,545 2,547 4,548 2,550 1.737,551 2.043,552 3.794,553 0.115,555 1,559 86.312,560 1.463,561 3.639,562 4.891,563 5.544,564 5.611,565 5.611,566 3.243,567 4.625,568 4.972,569 3.984,570 1975.95,571 8.654,572 30253.1,574 1,577 347.076,578 1.317,579 4.943,580 0.181,581 0.006,582 0.078,583 0.028,584 0.044,585 0.027,586 0.016,587 0.01,588 0.011,589 0.009,590 0.409,591 0.33,592 0.88,593 0.633,594 171.772,595 -0.027,596 0.014,597 0.046,598 0.039,599 -0.043,600 0.054,601 -0.028,602 0.052,603 -0.015,604 0.043,605 0.089,606 0.023,607 -0.102,609 -0.109,610 -0.028,611 -0.024,612 -0.06,613 -0.009,614 -0.143,615 -0.153,616 -0.186,617 -0.019,618 -0.195,619 0.041,620 -0.118,621 0.086,622 -0.051,623 0.039,624 0.009,625 -0.063,626 0.016,627 0.044,628 0.058,629 -0.046,630 0.068,631 0.043,632 -0.012,633 -0.098,634 -0.042,635 0.007,636 -0.083,637 -0.004,638 -0.151,639 -0.059,640 -0.129,641 -0.01,642 -0.111,643 2.051,644 5.429,645 0.813,646 35.563,647 0.998,648 1.121,649 4.14,650 17.137,651 0.674,652 3.611,653 3.951,654 4.234,655 4.489,656 4.779,657 4.852,658 4.99,659 5.075,660 5.215,661 5.226,662 8.357,663 0.639,664 430.56,665 3.611,666 5.165,667 6.023,668 6.903,669 7.775,670 8.656,671 9.534,672 10.416,673 11.295,674 12.177,675 3.4,678 1,682 1,687 2,688 9,693 5,695 17,701 1,713 1,714 59,716 19,717 3,718 36,720 63,721 27,722 16,723 7,724 9,725 3,730 5,731 7,740 3,743 4,745 19,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 27,765 5,766 2,767 5,773 2,777 0.6,778 2,793 5,797 2,810 1,811 1,815 1,818 1,819 3,825 1,827 32,828 1,833 7,835 1,837 1,838 1,846 1,847 3.4,850 1,851 1,854 15.667,855 10.426,856 6.889,857 3.683,858 3.806,859 1.449,860 1.027,861 5.883,862 12.282,863 3.861,864 4.466,865 5.05,866 5.615,867 6.211,868 6.499,869 6.873,870 7.16,871 7.471,872 7.436,873 0.9,874 53,875 11.896,877 5.188,878 7.729,879 23.097,881 19.826,883 2.229,884 71.333,887 1,888 294.278,889 148.175,890 36.022,892 36.145,893 14.96,895 148.175,896 330.422,897 50.982,899 51.41,900 94.762,901 40.849,902 33.319,903 14.96,904 294.278,906 294.278,907 184.197,908 51.105,911 238.611,912 95.772,913 11,915 54.535,916 120.186,917 9.476,919 309.238,920 72.166,921 148.175,924 294.278,925 53.413,926 97.887,928 84.002,929 294.278,930 87.126,931 148.175,933 0.588,934 0.343,935 0.181,936 0.105,937 26,938 11,939 0.079,940 5,941 2,942 1.154,943 4.465,944 293.009,945 0.154,946 26,947 160,951 21.025,952 8.954,953 4.543,954 2.002,955 87.126,956 16.914,961 3.947,963 32.897,964 529.579,965 46.5,970 11.471,972 2.309,974 0.969,975 58.858,976 66.153,977 0.249,978 0.619,979 0.831,980 0.942,981 0.954,982 0.954,983 5.113,984 1.618,985 6.009,986 5.815,987 4.635,988 5.153,989 1.956,990 6.812,991 4.59,992 6.316,993 1.57,994 7.564,995 4.421,996 4.205,997 4.977,998 0.325,999 7.681,1000 4.141,1001 7.625,1002 1.449,1003 9.214,1004 4.046,1005 6.229,1006 7.35,1007 1.989,1008 10.753,1009 6.154,1010 8.965,1011 1.182,1012 10.92,1013 3.809,1014 6.594,1015 7.99,1016 0.393,1017 12.43,1018 6.513,1019 10.336,1020 1.018,1021 12.662,1022 2.832,1023 8.085,1024 9.853,1025 2.094,1026 15.006,1027 7.994,1028 11.729,1029 1,1030 14.427,1031 2.393,1032 8.825,1033 10.887,1034 0.384,1035 17.024,1036 8.732,1037 13.139,1038 0.723,1039 16.21,1040 2.275,1041 10.091,1042 12.529,1043 2.241,1044 19.423,1045 9.987,1046 3.077,1047 0.568,1048 18.005,1049 1.725,1050 11.014,1051 13.766,1052 0.351,1053 21.593,1054 10.909,1055 3.017,1056 10.291,1057 19.811,1058 1.366,1059 12.181,1060 15.307,1061 2.418,1062 23.927,1063 12.067,1064 2.738,1065 9.616,1066 21.624,1067 4.388,1068 13.195,1069 16.65,1070 0.312,1071 26.167,1072 13.077,1073 2.64,1074 8.639,1075 23.443,1076 4.006,1077 14.321,1078 18.143,1079 2.619,1080 28.478,1081 14.194,1082 2.397,1083 8.139,1084 25.268,1085 3.549,1086 15.38,1087 19.543,1088 0.273,1089 30.752,1090 15.248,1091 2.105,1092 6.934,1093 27.098,1094 3.265,1095 16.489,1096 21.016,1097 2.839,1098 33.058,1099 16.349,1100 1.985,1101 6.007,1102 28.931,1103 2.912,1104 17.571,1105 22.445,1106 0.236,1107 35.349,1108 17.424,1109 15624,1110 25215,1111 24.561,1112 39.756,1113 54.623,1114 55.578,1115 55.412,1116 54.275,1117 54.171,1118 69.442,1119 6.439,1120 156.612,1121 52.843,1122 5.432,1123 5.522,1124 6.066,1125 5.148,1126 5.077,1127 7.388,1128 2.302,1129 17.149,1130 5.037,1131 13.856,1132 1.517,1133 1.544,1134 1.539,1135 1.508,1136 1.505,1137 1.929,1138 0.179,1139 4.35,1140 1.468,1141 4.11,1142 4.132,1143 4.065,1144 4.066,1145 8.201,1146 4.063,1147 4.012,1148 4.033,1149 3.957,1150 3.943,1151 7.437,1152 3.943,1153 3.835,1154 3.887,1155 3.746,1156 3.72,1157 4.908,1158 3.719,1159 3.592,1160 3.629,1161 3.508,1162 3.444,1163 4.859,1164 3.449,1165 3.473,1166 3.519,1167 3.39,1168 3.327,1169 4.746,1170 3.333,1171 3.338,1172 3.402,1173 3.188,1174 3.209,1175 4.454,1176 3.193,1177 3.223,1178 3.287,1179 3.099,1180 2.997,1181 4.38,1182 3.011,1183 3.059,1184 3.132,1185 2.944,1186 2.95,1187 4.147,1188 2.944,1189 0.124,1190 0.098,1191 0.181,1192 0.113,1193 0.085,1194 4.468,1195 0.122,1196 3.522,1197 0.032,1198 6.529,1199 0.286,1200 4.064,1201 0.084,1202 3.077,1203 4.388,1204 1.151,1205 10.291,1206 3.037,1207 2.084,1208 2.067,1209 2.164,1210 2.143,1211 1.389,1212 2.151,1213 1.985,1214 1.965,1215 2.093,1216 2.083,1217 1.331,1218 2.087,1219 1.818,1220 1.772,1221 1.983,1222 1.97,1223 1.224,1224 1.977,1225 1.555,1226 1.515,1227 1.752,1228 1.739,1229 1.045,1230 1.736,1231 1.438,1232 1.394,1233 1.662,1234 1.623,1235 0.859,1236 1.637,1237 1.354,1238 1.294,1239 1.572,1240 1.515,1241 0.702,1242 1.539,1243 1.138,1244 1.084,1245 1.431,1246 1.435,1247 0.674,1248 1.424,1249 1.084,1250 1.02,1251 1.361,1252 1.296,1253 0.474,1254 1.347,1255 4.29,1257 5.624,1259 7.159,1261 8.782,1263 10.451,1267 13.429,1269 5.427,1271 6.3,1273 6.051,1275 0.062,1276 2.454,1280 37.704,1281 86.312,1282 214.724,1283 288.547,1284 327.076,1285 331.076,1286 331.076,1287 54.237,1288 8.476,1289 55.56,1290 55.56,1291 30,1292 12.712,1293 4.322,1294 3.524,1295 46.158,1296 164,1297 152,1298 0.136,1299 226.302,1300 400.41,1301 543.937,1302 69576,1303 1.7,1304 22.079,1305 0.69,1306 0.563,1307 21.209,1308 18.02,1309 15.564,1310 0.432,1311 0.312,1312 11.104,1313 15.096,1314 10.886,1315 8.902,1316 15.17,1317 11.22,1318 14.302,1319 0.28,1320 0.17,1321 13.668,1322 8.662,1323 12.199,1324 0.179,1325 0.098,1326 11.864,1327 6.639,1328 10.083,1329 0.115,1330 0.055,1331 9.832,1332 4.822,1333 8.716,1334 0.074,1335 0.03,1336 8.413,1337 3.595,1338 0.222,1339 96.635,1340 0.202,1341 30.549,1342 0.351,1343 174,1344 492.54,1345 186.697,1346 453.978,1347 616.18,1348 426,1349 206,1350 443.473,1351 217.556,1352 447.148,1353 656.77,1354 423,1355 7.149} {0 CHEMBL310744,1 1.575,2 13.903,3 3.069,4 9.419,5 119.921,6 7.285,7 0.457,8 4.171,9 4.297,10 3.723,11 3.693,12 5.219,13 3.677,14 4.754,15 4.93,16 4.105,17 4.126,18 5.798,19 4.089,20 5.042,21 5.256,22 4.159,23 4.305,24 6.009,25 4.226,26 5.117,27 5.347,28 4.071,29 4.323,30 6.032,31 4.199,32 5.161,33 5.438,34 3.945,35 4.239,36 5.962,37 4.094,38 5.052,39 5.33,40 3.837,41 4.105,42 5.861,43 3.968,44 4.918,45 5.176,46 3.781,47 4.013,48 5.837,49 3.887,50 4.838,51 5.1,52 3.601,53 3.925,54 5.718,55 3.781,56 0.042,57 0.938,58 12.438,59 5.329,60 9.084,61 7.062,62 0.27,63 1.544,64 24.52,65 9.06,66 32.445,67 12.318,68 0.441,69 1.925,70 34.651,71 12.691,72 48.001,73 17.172,74 0.43,75 1.977,76 37.59,77 14.146,78 52.446,79 19.843,80 0.402,81 1.926,82 41.42,83 14.26,84 52.585,85 20.829,86 0.55,87 1.679,88 37.765,89 12.18,90 58.112,91 17.915,92 0.586,93 1.5,94 32.565,95 10.842,96 61.306,97 15.534,98 0.372,99 1.489,100 30.078,101 10.468,102 54.362,103 14.518,104 11,105 50,106 0.256,107 0.608,108 0.782,109 0.868,110 0.868,111 0.868,112 3.471,113 0.931,114 -3.62,115 -3.59,116 -3.42,119 41.4,121 2,125 6,127 1,140 6,141 4,142 2,149 1,150 1,156 1,161 1,162 1,163 1,169 9,172 6,173 1,174 1,176 3,178 12,180 1,181 1,182 5,184 1,186 3,189 8,191 2,192 1,193 7,197 3,199 4,201 2,203 7,208 2,211 1,213 2,215 4,218 1,225 2,226 5,228 1,229 1,231 1,233 1,235 1,237 2,242 1,244 1,248 1,249 4,251 1,252 1,256 3,259 1562,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 19.17,266 25.996,267 12.284,268 21.623,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 14.16,275 33.028,276 5.816,277 18.014,278 4.283,279 2.121,280 1.047,281 0.517,282 0.517,283 0.517,284 4.183,288 1,289 1,290 960,291 3.162,294 70.422,295 346.178,298 131.719,299 142.42,302 2.054,303 30.814,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 431,316 4.58,317 3.522,318 6.712,319 4.132,320 3.165,321 4.515,322 1.151,323 10.913,324 3.061,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.932,335 3.306,336 5.903,337 3.647,338 2.662,339 3.265,340 0.8,341 8.14,342 2.634,343 3.825,344 2.95,345 5.786,346 3.561,347 2.613,348 3.204,349 0.8,350 7.935,351 2.451,352 3.538,353 2.766,354 5.339,355 3.294,356 2.362,357 2.679,359 6.896,360 2.196,361 3.303,362 2.481,363 5.137,364 3.004,365 2.056,366 2.46,368 6.012,369 1.948,370 3.154,371 2.382,372 4.96,373 2.903,374 1.959,375 2.262,377 5.723,378 1.826,379 2.962,380 1.979,381 4.514,382 2.533,383 1.57,384 2.125,386 4.337,387 1.506,388 2.881,389 1.792,390 4.189,391 2.496,392 1.529,393 1.968,395 3.822,396 1.473,397 2.615,398 1.57,399 4.026,400 2.196,401 1.222,402 1.607,404 3.236,405 1.184,406 2.543,407 1.343,408 3.783,409 2.162,410 1.182,411 1.538,413 2.831,414 1.142,415 2.215,416 1.165,417 3.446,418 1.978,419 1.011,420 1.178,422 2.388,423 0.971,424 2.031,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 2,434 0.78,435 3.229,436 1.597,437 0.637,438 0.85,440 1.517,441 0.609,442 1.646,443 0.648,444 3.135,445 1.467,446 0.509,447 0.581,449 1.243,450 0.485,451 14.552,452 0.469,453 0.763,454 0.025,455 36.75,456 1.185,457 16,458 0.516,459 20.75,460 0.669,461 28.68,462 0.925,463 34.048,464 0.587,465 27.313,466 0.881,467 7.272,468 0.235,469 7.808,470 0.252,471 0.07,473 0.364,477 1,479 0.735,480 1.204,481 0.787,482 1.085,483 0.591,484 0.963,485 0.933,486 1.029,487 0.918,488 0.967,489 0.498,490 0.935,491 1.014,492 0.942,493 1.041,494 1.002,495 0.785,496 1.021,497 0.718,498 1.037,499 1.066,500 1.214,501 0.658,502 1.215,503 0.699,504 0.962,505 0.923,506 1.044,507 0.57,508 1.028,509 0.813,510 0.775,511 0.952,512 0.918,513 0.667,514 0.952,515 0.828,516 0.859,517 0.995,518 0.952,519 0.765,520 0.998,521 1.081,522 1.129,523 1.135,524 1.119,525 1.145,526 1.137,527 6,528 0.16,529 4,530 1.882,531 1.747,532 0.99,533 0.573,534 0.393,535 0.199,536 0.234,537 15284,538 40354,539 2.16,540 46.6,542 19,543 1,545 3,547 2,548 2,550 1.73,551 2.044,552 3.716,553 0.844,555 1,559 91.342,560 1.575,561 3.737,562 4.811,563 5.341,564 5.341,565 5.341,566 3.183,567 4.696,568 4.927,569 3.907,570 1816.95,571 8.566,572 26872.9,574 1,577 339.763,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.04,585 0.026,586 0.017,587 0.012,588 0.008,589 0.01,590 0.407,591 0.33,592 0.88,593 0.646,594 164.046,595 -0.05,596 -0.094,597 0.053,598 -0.009,599 -0.038,600 0.035,601 -0.072,602 0.005,603 -0.008,604 0.044,605 0.086,606 0.036,607 -0.1,608 0.054,609 -0.096,610 0.002,611 -0.018,612 -0.037,613 0.023,614 -0.129,615 -0.137,616 -0.201,617 0.004,618 -0.205,619 0.005,620 -0.124,621 0.042,622 -0.073,623 0.021,624 -0.019,625 0.005,626 0.04,627 0.034,628 0.025,629 -0.023,630 0.033,631 0.071,632 -0.021,633 -0.011,634 0.007,635 0.017,636 -0.016,637 -0.105,638 -0.115,639 -0.141,640 -0.127,641 -0.117,642 -0.139,643 2.052,644 5.454,645 0.806,646 32.489,647 1.003,648 1.133,649 2.389,650 5.708,651 0.655,652 3.584,653 3.932,654 4.234,655 4.511,656 4.762,657 4.86,658 4.997,659 5.069,660 5.142,661 5.204,662 7.976,663 0.624,664 422.55,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.67,671 9.557,672 10.45,673 11.34,674 12.233,675 6.9,678 1,681 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,709 1,713 1,714 58,716 17,717 2,718 35,720 62,721 24,722 14,723 6,724 6,725 1,730 5,731 7,740 2,743 3,745 15,746 9,750 1,755 1,759 1,761 1,762 1,764 27,765 6,766 3,767 7,773 4,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,815 1,818 1,819 3,825 1,827 31,828 1,833 8,835 1,837 1,838 2,846 1,847 3.4,850 1,851 1,854 15.167,855 10.126,856 6.667,857 3.593,858 3.171,859 1.377,860 1.029,861 5.698,862 11.573,863 3.807,864 4.404,865 4.996,866 5.575,867 6.078,868 6.369,869 6.687,870 6.882,871 6.83,872 6.938,873 1,874 51,875 11.529,877 5.047,878 7.747,879 22.357,881 19.231,883 2.247,884 69.667,887 1,888 282.506,889 116.951,890 55.931,892 36.145,893 14.96,895 116.951,896 318.651,897 70.891,899 53.087,900 65.905,901 40.849,902 47.042,903 28.875,904 270.735,906 282.506,907 172.882,908 51.105,911 250.382,912 72.229,913 11,915 72.997,916 99.885,919 297.467,920 92.076,921 116.951,924 282.506,925 51.046,926 72.154,927 16.786,928 84.002,929 282.506,930 107.036,931 116.951,933 0.589,934 0.347,935 0.187,936 0.105,937 26,938 11,939 0.081,940 5,941 2,942 1.16,943 4.358,944 283.876,945 0.16,946 25,947 149.58,951 20.497,952 8.617,953 4.202,954 1.905,955 90.251,956 12.607,958 3.185,961 3.845,963 49.683,964 506.494,965 44,970 11.461,974 -0.385,975 58.178,976 65.734,977 0.269,978 0.638,979 0.821,980 0.912,981 0.912,982 0.912,983 5.069,984 1.57,985 5.999,986 5.723,987 4.615,988 5.091,989 2.013,990 6.823,991 4.539,992 6.263,993 1.529,994 7.566,995 4.337,996 4.205,997 4.934,998 0.57,999 7.745,1000 4.095,1001 7.572,1002 1.222,1003 9.231,1004 3.822,1005 6.225,1006 7.284,1007 1.984,1008 10.843,1009 6.087,1010 8.915,1011 1.182,1012 10.954,1013 3.236,1014 6.635,1015 7.995,1016 0.479,1017 12.605,1018 6.476,1019 10.293,1020 1.011,1021 12.715,1022 2.831,1023 8.118,1024 9.831,1025 2.074,1026 15.217,1027 7.933,1028 11.695,1029 1,1030 14.503,1031 2.388,1032 8.906,1033 10.947,1034 0.346,1035 17.326,1036 8.705,1037 13.117,1038 0.637,1039 16.31,1040 2.275,1041 10.173,1042 12.578,1043 2.218,1044 19.777,1045 9.947,1046 3.165,1047 0.509,1048 18.131,1049 1.517,1050 11.142,1051 13.889,1052 0.237,1053 22.033,1054 10.899,1055 3.077,1056 10.913,1057 19.964,1058 1.243,1059 12.321,1060 15.434,1061 2.397,1062 24.429,1063 12.054,1064 2.662,1065 10.291,1066 21.807,1067 4.515,1068 13.376,1069 16.839,1070 0.158,1071 26.749,1072 13.09,1073 2.613,1074 8.14,1075 23.657,1076 4.006,1077 14.522,1078 18.351,1079 2.602,1080 29.126,1081 14.212,1082 2.362,1083 7.935,1084 25.514,1085 3.265,1086 15.617,1087 19.801,1088 0.104,1089 31.475,1090 15.286,1091 2.056,1092 6.896,1093 27.375,1094 3.204,1095 16.752,1096 21.3,1097 2.826,1098 33.848,1099 16.398,1100 1.959,1101 6.012,1102 29.242,1103 2.679,1104 17.868,1105 22.773,1106 0.068,1107 36.209,1108 17.49,1109 14064,1110 22974,1111 23.868,1112 38.006,1113 53.503,1114 54.005,1115 54.493,1116 53.201,1117 53.107,1118 66.478,1119 7.461,1120 155.118,1121 50.978,1122 5.58,1123 5.522,1124 6.249,1125 5.217,1126 5.165,1127 7.515,1128 2.302,1129 18.066,1130 5.061,1131 13.5,1132 1.529,1133 1.543,1134 1.557,1135 1.52,1136 1.517,1137 1.899,1138 0.213,1139 4.432,1140 1.457,1141 4.137,1142 4.175,1143 4.098,1144 4.037,1145 8.201,1146 4.047,1147 4.014,1148 4.037,1149 3.958,1150 3.943,1151 7.437,1152 3.943,1153 3.799,1154 3.869,1155 3.69,1156 3.615,1157 4.939,1158 3.624,1159 3.577,1160 3.617,1161 3.491,1162 3.402,1163 4.902,1164 3.413,1165 3.435,1166 3.493,1167 3.36,1168 3.268,1169 4.747,1170 3.278,1171 3.339,1172 3.412,1173 3.183,1174 3.182,1175 4.393,1176 3.171,1177 3.223,1178 3.288,1179 3.099,1180 2.981,1181 4.323,1182 3.002,1183 3.111,1184 3.206,1185 2.882,1186 2.941,1187 4.153,1188 2.91,1189 0.131,1190 0.101,1191 0.192,1192 0.118,1193 0.09,1194 4.58,1195 0.129,1196 3.522,1197 0.033,1198 6.712,1199 0.312,1200 4.132,1201 0.087,1202 3.165,1203 4.515,1204 1.151,1205 10.913,1206 3.061,1207 1.986,1208 1.965,1209 2.095,1210 2.089,1211 1.381,1212 2.092,1213 1.93,1214 1.907,1215 2.021,1216 2.038,1217 1.294,1218 2.036,1219 1.777,1220 1.71,1221 1.955,1222 1.977,1223 1.127,1224 1.973,1225 1.547,1226 1.501,1227 1.746,1228 1.754,1229 1.036,1230 1.748,1231 1.44,1232 1.384,1233 1.662,1234 1.669,1235 0.859,1236 1.661,1237 1.347,1238 1.276,1239 1.575,1240 1.554,1241 0.825,1242 1.578,1243 1.153,1244 1.077,1245 1.513,1246 1.436,1247 0.662,1248 1.429,1249 1.134,1250 1.064,1251 1.36,1252 1.376,1253 0.475,1254 1.425,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.433,1267 13.454,1269 5.422,1271 7.226,1273 6.046,1275 0.062,1276 4.839,1280 36.22,1281 91.342,1282 216.75,1283 279.034,1284 309.763,1285 309.763,1286 309.763,1287 51.865,1288 8.402,1289 74.59,1290 74.59,1291 29,1292 12.76,1293 4.17,1294 3.322,1295 44.035,1296 152,1297 137,1298 0.141,1299 216.968,1300 375.79,1301 521.163,1302 62537,1303 1.7,1304 21.372,1305 0.689,1306 0.563,1307 20.501,1308 17.442,1309 15.081,1310 0.431,1311 0.31,1312 10.702,1313 14.448,1314 10.537,1315 8.58,1316 14.687,1317 10.865,1318 13.874,1319 0.277,1320 0.167,1321 13.24,1322 8.368,1323 11.947,1324 0.176,1325 0.096,1326 11.611,1327 6.507,1328 10.075,1329 0.112,1330 0.053,1331 9.816,1332 4.786,1333 8.384,1334 0.072,1335 0.03,1336 8.137,1337 3.478,1338 0.229,1339 94.765,1340 0.205,1341 29.624,1342 0.367,1343 170,1344 500.518,1345 186.832,1346 455.634,1347 618.89,1348 428,1349 203,1350 449.262,1351 219.635,1352 447.862,1353 661.47,1354 424,1355 7.131} {0 CHEMBL311323,1 1.514,2 13.969,3 3.732,4 13.926,5 125.75,6 7.226,7 0.444,8 4.193,9 4.314,10 3.741,11 3.748,12 5.244,13 3.722,14 4.771,15 4.946,16 4.125,17 4.181,18 5.814,19 4.137,20 5.04,21 5.237,22 4.194,23 4.371,24 6.026,25 4.287,26 5.147,27 5.371,28 4.116,29 4.394,30 6.063,31 4.266,32 5.173,33 5.436,34 4.025,35 4.314,36 6.011,37 4.172,38 5.105,39 5.371,40 3.891,41 4.191,42 5.967,43 4.055,44 4.991,45 5.254,46 3.809,47 4.094,48 5.896,49 3.953,50 4.909,51 5.191,52 3.612,53 3.982,54 5.741,55 3.825,56 0.021,57 0.929,58 12.75,59 5.755,60 9.096,61 7.505,62 0.242,63 1.545,64 25.006,65 9.8,66 32.697,67 13.05,68 0.286,69 1.94,70 33.829,71 13.638,72 45.327,73 17.997,74 0.375,75 2.064,76 38.418,77 15.323,78 48.759,79 21.062,80 0.268,81 2.037,82 40.978,83 15.505,84 46.53,85 21.917,86 0.477,87 1.898,88 39.454,89 13.636,90 65.81,91 18.934,92 0.481,93 1.641,94 34.828,95 12.326,96 63.231,97 17.46,98 0.373,99 1.573,100 32.791,101 11.525,102 54.172,103 16.122,104 18,105 52,106 0.244,107 0.617,108 0.832,109 0.896,110 0.896,111 0.896,112 3.502,113 0.933,114 -4.46,115 -4.38,116 -4.13,119 43.3,121 3,124 1,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 10,173 1,174 1,176 1,178 17,180 1,182 7,186 2,189 13,191 2,192 1,193 9,197 2,199 10,201 2,203 6,208 2,211 6,213 2,214 1,215 6,222 3,225 1,226 5,228 1,229 1,231 1,233 6,235 1,237 2,244 10,248 1,249 1,251 1,252 1,256 10,259 1686,260 21.67,261 21.67,262 21.67,263 21.67,264 21.67,265 19.379,266 24.724,267 12.503,268 22.056,269 17.759,270 17.759,271 17.759,272 17.759,273 17.759,274 14.196,275 24.852,276 5.923,277 18.384,278 4.393,279 2.076,280 0.738,281 0.346,282 0.346,283 0.346,284 4.211,288 1,289 1,290 991,291 3.24,294 72.67,295 358.07,298 135.983,299 147.95,302 2.039,303 29.932,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 447,316 4.686,317 3.522,318 6.841,319 4.226,320 3.248,321 4.647,322 1.151,323 11.369,324 3.18,325 4.384,326 3.369,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.984,335 3.318,336 5.968,337 3.655,338 2.679,339 3.396,340 0.916,341 8.355,342 2.635,343 3.93,344 2.979,345 5.903,346 3.613,347 2.627,348 3.265,349 0.172,350 8.138,351 2.565,352 3.613,353 2.783,354 5.358,355 3.303,356 2.362,357 2.988,359 6.936,360 2.213,361 3.439,362 2.516,363 5.142,364 3.107,365 2.177,366 2.624,368 6.013,369 2.014,370 3.228,371 2.441,372 5.048,373 2.956,374 1.989,375 2.375,377 5.925,378 1.912,379 3.122,380 1.98,381 4.954,382 2.738,383 1.776,384 2.218,386 5.385,387 1.701,388 2.882,389 1.929,390 4.35,391 2.53,392 1.569,393 1.969,395 3.859,396 1.5,397 2.749,398 1.792,399 4.187,400 2.269,401 1.296,402 1.815,404 3.774,405 1.255,406 2.598,407 1.459,408 3.783,409 2.179,410 1.182,411 1.568,413 2.833,414 1.163,415 2.314,416 1.387,417 3.595,418 2.001,419 1.031,420 1.237,422 2.428,423 0.993,424 2.212,425 1.17,426 3.441,427 1.984,428 1,429 1.157,431 2.275,432 0.983,433 2.061,434 0.976,435 3.414,436 1.849,437 0.868,438 1.033,440 2.178,441 0.849,442 1.662,443 0.752,444 3.148,445 1.52,446 0.551,447 0.602,449 1.334,450 0.531,451 15.152,452 0.474,453 0.853,454 0.027,455 37.75,456 1.18,457 17,458 0.531,459 20.75,460 0.648,461 30.405,462 0.95,463 34.648,464 0.577,465 29.068,466 0.908,467 7.466,468 0.233,469 8.025,470 0.251,471 0.1,473 0.383,477 1,479 0.693,480 1.14,481 0.789,482 1.062,483 0.594,484 0.959,485 0.911,486 0.919,487 0.886,488 0.889,489 0.495,490 0.875,491 0.995,492 1.011,493 1.036,494 1.054,495 0.805,496 1.055,497 0.699,498 1.009,499 1.067,500 1.187,501 0.673,502 1.197,503 0.649,504 1.024,505 0.91,506 1.091,507 0.548,508 1.057,509 1.078,510 0.937,511 1.079,512 0.983,513 0.959,514 1.019,515 0.771,516 0.898,517 0.98,518 0.986,519 0.708,520 1.014,521 0.99,522 0.929,523 1.029,524 0.933,525 0.975,526 0.974,527 6.5,528 0.18,529 4.222,530 2.326,531 2.027,532 1.164,533 0.593,534 0.452,535 0.223,536 0.238,537 16311,538 41984,539 2.135,540 46.7,542 19,543 1,545 2,547 4,548 2,550 1.738,551 2,552 3.712,553 0.146,555 1,559 90.841,560 1.514,561 3.831,562 5.169,563 5.561,564 5.561,565 5.561,566 3.183,567 4.625,568 4.974,569 3.917,570 1942.86,571 8.662,572 29336.9,574 1,577 354.413,578 1.406,579 4.933,580 0.181,581 0.007,582 0.081,583 0.043,584 0.043,585 0.028,586 0.016,587 0.014,588 0.008,589 0.01,590 0.431,591 0.17,592 0.88,593 0.688,594 170.791,595 -0.028,596 -0.068,597 0.055,598 -0.004,599 -0.043,600 0.033,601 -0.052,602 0.095,603 0.029,604 0.114,605 0.092,606 0.094,607 -0.107,608 -0.017,609 -0.104,610 -0.033,611 -0.026,612 -0.061,613 0.031,614 -0.102,615 -0.138,616 -0.178,617 -0.015,618 -0.191,619 0.031,620 -0.167,621 0.045,622 -0.106,623 0.043,624 -0.045,625 -0.092,626 0.003,627 -0.075,628 -0.028,629 -0.093,630 -0.044,631 0.069,632 -0.061,633 0.001,634 -0.028,635 0.043,636 -0.027,637 -0.078,638 0.024,639 -0.024,640 0.033,641 -0.071,642 0.02,643 2.053,644 5.64,645 0.781,646 33.563,647 0.999,648 1.128,649 3.226,650 10.409,651 0.663,652 3.611,653 3.97,654 4.277,655 4.564,656 4.836,657 4.92,658 5.056,659 5.136,660 5.209,661 5.247,662 8.063,663 0.629,664 433.57,665 3.611,666 5.176,667 6.047,668 6.942,669 7.831,670 8.729,671 9.624,672 10.524,673 11.422,674 12.322,675 5,678 1,682 1,683 1,687 2,688 7,693 5,694 1,695 16,701 1,713 1,714 60,716 18,717 2,718 36,720 64,721 26,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 17,746 9,750 2,755 1,757 1,759 2,761 1,762 1,764 28,765 5,766 2,767 6,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,823 1,825 1,827 32,828 1,833 7,835 1,837 1,838 1,846 1,847 3.3,850 1,851 1,854 16,855 10.96,856 6.861,857 3.701,858 3.568,859 1.421,860 1.023,861 5.789,862 12.044,863 3.85,864 4.474,865 5.085,866 5.688,867 6.231,868 6.536,869 6.886,870 7.128,871 7.179,872 7.324,873 1,874 54,875 11.9,877 5.193,878 7.729,879 23.097,881 19.83,883 2.229,884 71.333,887 1,888 306.049,889 136.761,890 37.921,892 36.145,893 14.96,895 136.761,896 342.193,897 52.881,898 8.396,899 51.41,900 75.381,901 40.849,902 32.645,903 28.875,904 294.278,906 306.049,907 174.682,908 51.105,911 250.382,912 95.772,913 11,915 56.434,916 108.772,917 9.476,919 321.009,920 74.065,921 136.761,924 306.049,925 52.984,926 88.801,928 84.002,929 306.049,930 89.026,931 136.761,933 0.592,934 0.35,935 0.189,936 0.11,937 27,938 12,939 0.078,940 5,941 2,942 1.16,943 4.387,944 298.415,945 0.16,946 25,947 160,951 21.234,952 8.723,953 4.228,954 2.034,955 87.126,956 12.844,961 3.917,962 2.002,963 32.897,964 531.835,965 46,970 11.479,972 2.302,974 0.944,975 59.96,976 67.651,977 0.256,978 0.649,979 0.875,980 0.941,981 0.941,982 0.941,983 5.118,984 1.776,985 6.047,986 5.925,987 4.654,988 5.162,989 1.956,990 6.887,991 4.593,992 6.333,993 1.569,994 7.625,995 5.385,996 4.29,997 5.066,998 0.325,999 7.835,1000 4.199,1001 7.656,1002 1.296,1003 9.301,1004 3.859,1005 6.279,1006 7.393,1007 1.989,1008 10.945,1009 6.172,1010 9.013,1011 1.182,1012 11.034,1013 3.774,1014 6.723,1015 8.146,1016 0.393,1017 12.733,1018 6.599,1019 10.404,1020 1.031,1021 12.804,1022 2.833,1023 8.193,1024 9.974,1025 2.094,1026 15.367,1027 8.054,1028 11.82,1029 1,1030 14.601,1031 2.428,1032 9.011,1033 11.128,1034 0.384,1035 17.509,1036 8.859,1037 13.255,1038 0.868,1039 16.417,1040 2.275,1041 10.277,1042 12.761,1043 2.241,1044 19.986,1045 10.109,1046 3.248,1047 0.551,1048 18.248,1049 2.178,1050 11.272,1051 14.11,1052 0.351,1053 22.28,1054 11.092,1055 3.077,1056 11.369,1057 20.092,1058 1.334,1059 12.46,1060 15.668,1061 2.418,1062 24.706,1063 12.262,1064 2.679,1065 10.291,1066 21.945,1067 4.647,1068 13.539,1069 17.109,1070 0.312,1071 27.065,1072 13.326,1073 2.627,1074 8.355,1075 23.806,1076 4.006,1077 14.699,1078 18.64,1079 2.619,1080 29.477,1081 14.469,1082 2.362,1083 8.138,1084 25.675,1085 3.396,1086 15.817,1087 20.125,1088 0.273,1089 31.865,1090 15.571,1091 2.177,1092 6.936,1093 27.55,1094 3.265,1095 16.97,1096 21.65,1097 2.839,1098 34.275,1099 16.706,1100 1.989,1101 6.013,1102 29.429,1103 2.988,1104 18.109,1105 23.157,1106 0.236,1107 36.678,1108 17.826,1109 15090,1110 24324,1111 24.274,1112 39.762,1113 55.396,1114 56.134,1115 56.655,1116 54.987,1117 54.866,1118 69.8,1119 6.439,1120 162.185,1121 53.061,1122 5.651,1123 5.522,1124 6.378,1125 5.311,1126 5.248,1127 7.647,1128 2.302,1129 18.68,1130 5.18,1131 15.736,1132 1.539,1133 1.559,1134 1.574,1135 1.527,1136 1.524,1137 1.939,1138 0.179,1139 4.505,1140 1.474,1141 4.159,1142 4.191,1143 4.124,1144 4.075,1145 8.201,1146 4.083,1147 4.014,1148 4.037,1149 3.959,1150 3.943,1151 7.437,1152 3.943,1153 3.816,1154 3.874,1155 3.72,1156 3.684,1157 4.913,1158 3.685,1159 3.582,1160 3.618,1161 3.498,1162 3.425,1163 4.887,1164 3.432,1165 3.473,1166 3.531,1167 3.393,1168 3.299,1169 4.746,1170 3.311,1171 3.376,1172 3.449,1173 3.223,1174 3.217,1175 4.425,1176 3.207,1177 3.226,1178 3.29,1179 3.099,1180 3.005,1181 4.374,1182 3.018,1183 3.104,1184 3.176,1185 2.966,1186 2.922,1187 4.167,1188 2.922,1189 0.13,1190 0.098,1191 0.19,1192 0.117,1193 0.09,1194 4.686,1195 0.129,1196 3.522,1197 0.032,1198 6.841,1199 0.316,1200 4.226,1201 0.088,1202 3.248,1203 4.647,1204 1.151,1205 11.369,1206 3.18,1207 1.987,1208 1.967,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.954,1214 1.933,1215 2.048,1216 2.041,1217 1.303,1218 2.043,1219 1.827,1220 1.78,1221 1.969,1222 1.987,1223 1.143,1224 1.986,1225 1.582,1226 1.53,1227 1.778,1228 1.776,1229 1.048,1230 1.778,1231 1.483,1232 1.428,1233 1.7,1234 1.708,1235 0.861,1236 1.702,1237 1.38,1238 1.312,1239 1.656,1240 1.578,1241 0.829,1242 1.609,1243 1.155,1244 1.099,1245 1.435,1246 1.437,1247 0.691,1248 1.427,1249 1.104,1250 1.04,1251 1.378,1252 1.314,1253 0.538,1254 1.355,1255 4.29,1257 5.638,1258 2.398,1259 7.182,1260 4.844,1261 8.813,1262 7.034,1263 10.491,1265 1.968,1267 13.64,1269 5.429,1271 6.215,1273 6.055,1275 0.055,1276 2.448,1280 37.725,1281 90.841,1282 229.845,1283 310.149,1284 333.659,1285 333.659,1286 333.659,1287 54.686,1288 8.476,1289 60.49,1290 60.49,1291 29,1292 12.844,1293 4.248,1294 3.459,1295 46.115,1296 159,1297 136,1298 0.142,1299 226.431,1300 396.75,1301 544.252,1302 67763,1303 1.7,1304 22.242,1305 0.695,1306 0.572,1307 21.372,1308 18.312,1309 15.491,1310 0.43,1311 0.311,1312 11.052,1313 14.92,1314 10.8,1315 8.845,1316 15.097,1317 11.2,1318 14.413,1319 0.277,1320 0.169,1321 13.779,1322 8.771,1323 12.365,1324 0.174,1325 0.095,1326 12.022,1327 6.764,1328 10.406,1329 0.11,1330 0.053,1331 10.199,1332 5.001,1333 8.956,1334 0.072,1335 0.03,1336 8.604,1337 3.717,1338 0.229,1339 96.859,1340 0.203,1341 30.332,1342 0.369,1343 176,1344 504.185,1345 190.778,1346 462.522,1347 629.52,1348 434,1349 211,1350 457.29,1351 225.387,1352 460.273,1353 678.6,1354 434,1355 7.187} {0 CHEMBL311694,1 1.471,2 14,3 3.199,4 10.236,5 126.375,6 7.354,7 0.444,8 4.16,9 4.278,10 3.723,11 3.743,12 5.246,13 3.716,14 4.721,15 4.884,16 4.09,17 4.175,18 5.744,19 4.124,20 5.005,21 5.204,22 4.175,23 4.357,24 5.971,25 4.27,26 5.1,27 5.319,28 4.111,29 4.374,30 6.064,31 4.254,32 5.132,33 5.397,34 3.962,35 4.279,36 5.983,37 4.132,38 5.022,39 5.292,40 3.855,41 4.129,42 5.86,43 3.998,44 4.883,45 5.127,46 3.796,47 4.06,48 5.837,49 3.935,50 4.828,51 5.086,52 3.594,53 3.989,54 5.697,55 3.829,56 0.04,57 0.838,58 11.836,59 5.284,60 12.736,61 6.919,62 0.213,63 1.391,64 22.762,65 9.321,66 27.399,67 12.37,68 0.238,69 1.769,70 31.836,71 12.947,72 37.673,73 17.439,74 0.321,75 1.924,76 35.786,77 14.282,78 50.78,79 19.655,80 0.28,81 1.922,82 39.149,83 14.697,84 52.055,85 20.996,86 0.392,87 1.706,88 35.988,89 12.523,90 54.657,91 17.747,92 0.454,93 1.492,94 30.427,95 10.987,96 58.265,97 15.327,98 0.243,99 1.422,100 28.655,101 10.744,102 47.984,103 15.248,104 14,105 51,106 0.237,107 0.636,108 0.834,109 0.899,110 0.899,111 0.899,112 3.502,113 0.925,114 -3.51,115 -3.49,116 -3.33,119 44.8,121 3,125 4,127 1,134 1,135 1,140 6,141 6,149 1,150 1,156 2,161 1,162 1,163 1,169 15,172 8,173 1,174 1,176 4,178 18,180 1,182 6,186 5,189 14,191 2,192 1,193 8,195 1,197 5,199 11,201 2,203 8,208 2,211 7,213 2,215 7,218 1,222 5,225 1,226 7,228 1,229 1,231 1,233 6,235 1,237 2,242 1,244 10,248 2,249 1,251 1,252 1,256 10,259 1698,260 22.093,261 22.093,262 22.093,263 22.093,264 22.093,265 19.787,266 23.259,267 12.829,268 22.379,269 17.696,270 17.696,271 17.696,272 17.696,273 17.696,274 14.029,275 24.034,276 5.94,277 18.148,278 4.387,279 1.912,280 0.681,281 0.276,282 0.276,283 0.276,284 4.214,288 1,289 1,290 993,291 3.317,294 71.978,295 358.087,298 135.994,299 147.594,302 2.063,303 26.898,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 448,316 4.662,317 4.071,318 6.814,319 4.202,320 3.214,321 4.617,322 2.035,323 11.265,324 3.177,325 4.384,326 3.522,327 6.529,328 4.063,329 3.077,330 4.006,331 1.151,332 10.291,333 3.037,334 4.069,335 3.368,336 6.072,337 3.682,338 2.703,339 3.498,340 0.98,341 8.717,342 2.653,343 3.932,344 3.242,345 5.903,346 3.636,347 2.636,348 3.265,349 0.916,350 8.139,351 2.627,352 3.646,353 2.924,354 5.386,355 3.347,356 2.398,357 2.818,358 0.172,359 7.008,360 2.267,361 3.365,362 2.595,363 5.162,364 2.991,365 2.012,366 2.391,368 6.04,369 1.965,370 3.158,371 2.463,372 5.076,373 2.85,374 1.874,375 2.32,377 5.75,378 1.821,379 3.047,380 2.032,381 4.227,382 2.53,383 1.569,384 2.212,386 3.824,387 1.508,388 2.991,389 1.977,390 4.185,391 2.521,392 1.548,393 1.967,395 3.704,396 1.498,397 2.881,398 1.792,399 4.046,400 2.186,401 1.182,402 1.621,404 3.175,405 1.174,406 2.606,407 1.549,408 3.783,409 2.119,410 1.147,411 1.554,413 2.83,414 1.108,415 2.558,416 1.42,417 3.446,418 1.984,419 1,420 1.446,422 2.382,423 0.983,424 2.221,425 1.231,426 3.414,427 1.973,428 1,429 1.178,431 2.275,432 0.967,433 2.161,434 1.122,435 3.353,436 1.862,437 0.907,438 1.039,440 2.01,441 0.863,442 2.047,443 0.893,444 3.151,445 1.535,446 0.568,447 0.671,449 1.347,450 0.546,451 15.267,452 0.477,453 0.709,454 0.022,455 40.5,456 1.266,457 20,458 0.625,459 20.5,460 0.641,461 28.605,462 0.894,463 33.333,464 0.575,465 30.07,466 0.94,467 7.855,468 0.245,469 7.78,470 0.243,471 0.074,473 0.354,479 0.821,480 1.129,481 0.799,482 0.979,483 0.591,484 0.895,485 1.013,486 0.98,487 0.925,488 0.939,489 0.466,490 0.923,491 1.013,492 1.044,493 0.993,494 1.041,495 0.656,496 1.025,497 0.854,498 1.115,499 1.096,500 1.174,501 0.762,502 1.173,503 0.769,504 1.083,505 0.972,506 1.082,507 0.709,508 1.058,509 1.104,510 0.894,511 0.987,512 0.906,513 0.836,514 0.926,515 1.031,516 0.953,517 1.069,518 0.984,519 0.886,520 1.026,521 0.875,522 1.068,523 1.123,524 1.12,525 0.985,526 1.148,527 5.5,528 0.144,529 4.222,530 1.91,531 1.752,532 1.108,533 0.573,534 0.346,535 0.244,536 0.234,537 16415,538 42022,539 2.154,540 44.8,542 16,543 1,545 3,547 4,548 2,550 1.738,551 2.043,552 3.73,553 0.791,555 1,559 85.34,560 1.471,561 3.946,562 5.177,563 5.582,564 5.582,565 5.582,566 3.198,567 4.601,568 4.974,569 3.929,570 1948.89,571 8.661,572 29523.7,574 1,577 339.763,578 1.317,579 4.943,580 0.153,581 0.005,582 0.083,583 0.035,584 0.037,585 0.028,586 0.016,587 0.01,588 0.009,589 0.01,590 0.385,591 0.33,592 0.88,593 0.726,594 170.992,595 -0.053,596 0.005,597 0.046,598 0.039,599 -0.005,600 0.056,601 -0.048,602 0.087,603 -0.016,604 0.065,605 0.077,606 0.036,607 -0.09,608 -0.051,609 -0.054,610 -0.028,611 0.024,612 -0.036,614 -0.136,615 -0.145,616 -0.171,617 -0.003,618 -0.179,619 0.012,620 -0.15,621 0.021,622 -0.089,623 0.005,624 -0.043,625 -0.057,626 0.051,627 0.041,628 0.06,629 -0.049,630 0.064,631 0.059,632 0.005,633 -0.063,634 -0.006,635 0.014,636 -0.043,637 -0.078,638 -0.122,639 -0.138,640 -0.131,641 -0.115,642 -0.141,643 2.05,644 4.479,645 0.781,646 33.938,647 0.996,648 1.12,649 2.279,650 5.195,651 0.678,652 3.611,653 3.951,654 4.277,655 4.554,656 4.796,657 4.898,658 5.043,659 5.118,660 5.204,661 5.257,662 8.12,663 0.643,664 426.56,665 3.611,666 5.165,667 6.038,668 6.927,669 7.814,670 8.707,671 9.6,672 10.495,673 11.39,674 12.286,675 6.9,678 1,682 1,683 1,684 1,687 2,688 7,690 1,693 5,695 16,697 1,701 1,714 58,716 19,717 2,718 36,720 62,721 26,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,744 1,745 17,746 8,750 2,755 1,757 1,759 2,761 1,764 26,765 5,766 3,767 6,773 4,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,827 32,828 1,833 7,835 1,837 1,838 1,840 1,843 1,845 1,847 3.4,850 1,851 1,854 15.667,855 10.317,856 7.028,857 3.614,858 3.841,859 1.452,860 1.026,861 5.738,862 12.337,863 3.892,864 4.474,865 5.113,866 5.714,867 6.231,868 6.566,869 6.958,870 7.204,871 7.31,872 7.5,873 1,874 54,875 11.843,877 5.136,878 7.698,879 23.002,881 19.699,883 2.198,884 70.333,887 1,888 270.735,889 139.031,890 83.866,892 36.145,895 139.031,896 306.88,897 83.866,899 51.41,900 75.381,901 57.451,902 72.656,903 13.915,904 258.964,906 270.735,907 222.898,908 36.145,911 200.109,912 95.772,913 11,915 102.379,916 111.042,917 9.476,919 270.735,920 120.011,921 139.031,924 270.735,925 47.048,926 78.505,927 33.387,928 100.101,929 270.735,930 120.011,931 139.031,933 0.583,934 0.355,935 0.194,936 0.105,937 26,938 11,939 0.081,940 5,941 2,942 1.16,943 4.414,944 296.867,945 0.16,946 25,947 160,951 20.816,952 8.82,953 4.077,954 2.034,955 103.226,956 13.624,958 3.282,961 4.808,963 49.683,964 529.778,965 48,970 11.479,972 2.306,974 0.951,975 57.781,976 64.979,977 0.251,978 0.674,979 0.884,980 0.953,981 0.953,982 0.953,983 5.153,984 1.569,985 6.023,986 5.75,987 4.635,988 5.162,989 2.731,990 6.86,991 4.59,992 6.363,993 1.548,994 7.597,995 3.824,996 4.205,997 4.977,998 0.325,999 7.82,1000 4.16,1001 7.678,1002 1.182,1003 9.272,1004 3.704,1005 6.252,1006 7.382,1007 3.728,1008 10.929,1009 6.177,1010 9.03,1011 1.147,1012 11.008,1013 3.175,1014 6.673,1015 8.101,1016 0.393,1017 12.732,1018 6.601,1019 10.416,1020 1,1021 12.783,1022 2.83,1023 8.164,1024 9.955,1025 5.011,1026 15.355,1027 8.067,1028 11.828,1029 1,1030 14.584,1031 2.382,1032 8.971,1033 11.094,1034 0.384,1035 17.496,1036 8.874,1037 13.26,1038 0.907,1039 16.404,1040 2.275,1041 10.242,1042 12.733,1043 6.392,1044 19.962,1045 10.126,1046 3.214,1047 0.568,1048 18.238,1049 2.01,1050 11.228,1051 14.07,1052 0.351,1053 22.246,1054 11.109,1055 3.077,1056 11.265,1057 20.084,1058 1.347,1059 12.413,1060 15.627,1061 7.801,1062 24.662,1063 12.279,1064 2.703,1065 10.291,1066 21.938,1067 4.617,1068 13.482,1069 17.057,1070 0.312,1071 27.009,1072 13.341,1073 2.636,1074 8.717,1075 23.799,1076 4.006,1077 14.636,1078 18.583,1079 9.219,1080 29.411,1081 14.482,1082 2.398,1083 8.139,1084 25.667,1085 3.498,1086 15.744,1087 20.059,1088 0.273,1089 31.786,1090 15.581,1091 2.012,1092 7.008,1093 27.539,1094 3.265,1095 16.889,1096 21.577,1097 10.638,1098 34.186,1099 16.714,1100 1.874,1101 6.04,1102 29.416,1103 2.818,1104 18.017,1105 23.074,1106 0.236,1107 36.577,1108 17.832,1109 15184,1110 24398,1111 24.561,1112 39.307,1113 56.103,1114 58.165,1115 56.095,1116 54.291,1117 54.307,1118 70.255,1119 10.508,1120 158.559,1121 52.986,1122 5.627,1123 6.071,1124 6.403,1125 5.287,1126 5.214,1127 7.617,1128 4.069,1129 18.633,1130 5.177,1131 13.792,1132 1.558,1133 1.616,1134 1.558,1135 1.508,1136 1.509,1137 1.952,1138 0.292,1139 4.404,1140 1.472,1141 4.152,1142 4.183,1143 4.115,1144 4.077,1145 7.437,1146 4.082,1147 4.014,1148 4.037,1149 3.959,1150 3.943,1151 6.82,1152 3.943,1153 3.818,1154 3.874,1155 3.723,1156 3.693,1157 4.95,1158 3.692,1159 3.584,1160 3.62,1161 3.5,1162 3.43,1163 4.902,1164 3.437,1165 3.45,1166 3.504,1167 3.368,1168 3.295,1169 4.747,1170 3.303,1171 3.34,1172 3.412,1173 3.188,1174 3.194,1175 4.437,1176 3.182,1177 3.223,1178 3.288,1179 3.123,1180 3.037,1181 4.378,1182 3.052,1183 3.185,1184 3.24,1185 3.099,1186 2.986,1187 4.258,1188 3.006,1189 0.13,1190 0.113,1191 0.189,1192 0.117,1193 0.089,1194 4.662,1195 0.128,1196 4.071,1197 0.057,1198 6.814,1199 0.313,1200 4.202,1201 0.088,1202 3.214,1203 4.617,1204 2.035,1205 11.265,1206 3.177,1207 1.988,1208 1.967,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.967,1214 1.947,1215 2.053,1216 2.04,1217 1.303,1218 2.046,1219 1.828,1220 1.782,1221 1.972,1222 1.979,1223 1.143,1224 1.98,1225 1.565,1226 1.521,1227 1.759,1228 1.753,1229 1.042,1230 1.75,1231 1.443,1232 1.39,1233 1.664,1234 1.666,1235 0.86,1236 1.66,1237 1.348,1238 1.281,1239 1.573,1240 1.549,1241 0.705,1242 1.574,1243 1.137,1244 1.082,1245 1.43,1246 1.436,1247 0.672,1248 1.425,1249 1.082,1250 1,1251 1.36,1252 1.298,1253 0.457,1254 1.348,1255 4.29,1257 5.624,1258 2.398,1259 7.163,1260 4.727,1261 8.794,1262 6.862,1263 10.473,1269 5.431,1271 6.253,1273 6.057,1275 0.059,1276 2.453,1278 9.334,1279 2.263,1280 37.31,1281 85.34,1282 228.895,1283 300.253,1284 323.763,1285 323.763,1286 323.763,1287 51.721,1288 8.496,1289 95.14,1290 95.14,1291 29,1292 12.811,1293 4.322,1294 3.7,1295 46.119,1296 160,1297 136,1298 0.141,1299 226.173,1300 396.4,1301 543.621,1302 70260,1304 22.079,1305 0.69,1306 0.56,1307 22.079,1308 17.934,1309 15.635,1310 0.434,1311 0.308,1312 10.983,1313 15.178,1314 10.769,1315 8.819,1316 15.635,1317 11.1,1318 13.958,1319 0.274,1320 0.167,1321 13.958,1322 8.498,1323 12.398,1324 0.175,1325 0.094,1326 12.398,1327 6.647,1328 10.517,1329 0.112,1330 0.052,1331 10.517,1332 4.901,1333 8.642,1334 0.072,1335 0.029,1336 8.642,1337 3.536,1338 0.228,1339 97.006,1340 0.202,1341 30.369,1342 0.366,1343 174,1344 450.406,1345 185.28,1346 443.385,1347 609.8,1348 416,1349 209,1350 445.52,1351 220.477,1352 455.883,1353 669.97,1354 431,1355 6.886} {0 CHEMBL311787,1 1.5,2 13.813,3 4.018,4 16.148,5 124.576,6 7.026,7 0.444,8 4.221,9 4.346,10 3.741,11 3.771,12 5.244,13 3.739,14 4.814,15 4.989,16 4.135,17 4.219,18 5.822,19 4.162,20 5.134,21 5.351,22 4.206,23 4.416,24 6.057,25 4.319,26 5.241,27 5.476,28 4.133,29 4.456,30 6.113,31 4.314,32 5.299,33 5.582,34 4.016,35 4.389,36 6.056,37 4.22,38 5.197,39 5.481,40 3.954,41 4.261,42 5.964,43 4.112,44 5.085,45 5.343,46 3.909,47 4.188,48 5.989,49 4.058,50 5.002,51 5.258,52 3.73,53 4.139,54 5.859,55 3.978,56 0.037,57 0.96,58 13.757,59 6.078,60 10.197,61 8.069,62 0.213,63 1.609,64 26.622,65 10.694,66 34.851,67 14.461,68 0.352,69 2.081,70 38.396,71 14.682,72 51.421,73 20.05,74 0.42,75 2.218,76 42.976,77 16.683,78 57.184,79 23.425,80 0.356,81 2.199,82 47.199,83 17.336,84 56.903,85 25.102,86 0.431,87 1.94,88 43.101,89 14.889,90 60.791,91 21.676,92 0.619,93 1.791,94 38.579,95 13.059,96 71.595,97 18.422,98 0.357,99 1.756,100 34.936,101 13.059,102 57.122,103 17.963,104 18,105 52,106 0.241,107 0.599,108 0.822,109 0.892,110 0.902,111 0.902,112 3.502,113 0.962,114 -4.53,115 -4.46,116 -4.2,119 41.9,120 1,121 4,122 1,125 3,127 2,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 8,173 1,174 1,176 4,178 18,180 1,182 5,186 4,189 14,191 2,192 1,193 6,197 5,199 13,201 2,203 6,208 2,211 7,213 2,215 7,218 1,220 1,222 5,225 1,226 5,228 1,229 1,231 1,233 10,235 1,237 1,242 1,244 13,248 1,249 1,251 1,252 1,256 11,259 1722,260 21.67,261 21.67,262 21.67,263 21.67,264 21.67,265 19.67,266 26.838,267 12.478,268 22.015,269 17.753,270 17.753,271 17.753,272 17.753,273 17.753,274 14.638,275 32.822,276 5.892,277 18.316,278 4.454,279 2.224,280 0.835,281 0.399,282 0.335,283 0.335,284 4.211,288 1,289 1,290 981,291 3.24,294 72.764,295 358.348,298 136.222,299 146.906,302 2.098,303 31.462,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69,315 442,316 4.581,317 3.522,318 6.718,319 4.164,320 3.177,321 4.515,322 1.151,323 10.938,324 3.137,325 4.385,326 3.371,327 6.53,328 4.064,329 3.078,330 4.006,331 0.98,332 10.292,333 3.037,334 3.94,335 3.324,336 6.074,337 3.775,338 2.823,339 3.266,340 0.8,341 8.772,342 2.692,343 3.9,344 3.053,345 5.902,346 3.634,347 2.635,348 3.212,350 8.134,351 2.623,352 3.685,353 2.846,354 5.706,355 3.384,356 2.425,357 2.834,359 7.617,360 2.316,361 3.319,362 2.48,363 5.16,364 3.016,365 2.056,366 2.54,368 6.055,369 1.97,370 3.183,371 2.336,372 4.971,373 2.944,374 1.986,375 2.28,377 5.75,378 1.879,379 2.965,380 1.98,381 4.536,382 2.543,383 1.574,384 2.14,386 4.391,387 1.521,388 2.883,389 1.793,390 4.248,391 2.502,392 1.532,393 1.973,395 3.904,396 1.483,397 2.634,398 1.631,399 4.155,400 2.442,401 1.474,402 1.627,404 3.731,405 1.42,406 2.544,407 1.522,408 4.001,409 2.192,410 1.21,411 1.539,413 3.187,414 1.181,415 2.461,416 1.291,417 3.783,418 2.167,419 1.182,420 1.458,422 2.83,423 1.149,424 2.205,425 1.147,426 3.45,427 1.982,428 1.01,429 1.169,431 2.389,432 0.975,433 2.03,434 0.808,435 3.237,436 1.631,437 0.664,438 0.855,440 1.578,441 0.639,442 1.688,443 0.641,444 3.173,445 1.489,446 0.526,447 0.622,449 1.291,450 0.504,451 15.152,452 0.474,453 0.853,454 0.027,455 36,456 1.125,457 15.5,458 0.484,459 20.5,460 0.641,461 33.439,462 1.045,463 35.248,464 0.569,465 26.381,466 0.824,467 6.741,468 0.211,469 8.75,470 0.273,471 0.1,473 0.389,477 1,479 0.707,480 1.109,481 0.825,482 1.061,483 0.6,484 0.973,485 0.83,486 1.029,487 0.903,488 1.02,489 0.479,490 0.98,491 0.983,492 0.973,493 1.032,494 1.017,495 0.753,496 1.028,497 0.682,498 1.012,499 1.078,500 1.195,501 0.623,502 1.207,503 0.614,504 0.947,505 0.898,506 1.04,507 0.525,508 1.022,509 0.754,510 0.831,511 0.882,512 0.92,513 0.611,514 0.92,515 1.047,516 0.845,517 1.053,518 0.902,519 0.845,520 0.965,521 1.04,522 1.095,523 1.179,524 1.145,525 1.063,526 1.181,527 6.5,528 0.194,529 4.444,530 2.194,531 1.938,532 1.132,533 0.792,534 0.494,535 0.277,536 0.249,537 16035,538 40405,539 2.135,540 48.4,541 1,542 14,543 1,545 3,547 9,548 2,550 1.74,551 2,552 3.704,553 0.791,555 1,559 92.987,560 1.5,561 3.731,562 5.119,563 5.555,564 5.619,565 5.619,566 3.183,567 4.75,568 4.972,569 3.897,570 1932.82,571 8.668,572 28820.5,574 1,577 369.16,578 1.406,579 4.933,580 0.181,581 0.007,582 0.085,583 0.041,584 0.041,585 0.028,586 0.02,587 0.013,588 0.009,589 0.01,590 0.436,591 0.17,592 0.88,593 0.688,594 170.165,595 -0.039,596 -0.006,597 0.049,598 0.035,599 -0.038,600 0.056,601 -0.017,602 -0.007,603 0.017,604 0.024,605 0.104,606 0.026,607 -0.105,608 0.015,609 -0.083,610 -0.002,611 -0.009,612 -0.031,613 0.027,614 -0.103,615 -0.147,616 -0.184,617 0.006,618 -0.196,619 0.031,620 -0.113,621 0.052,622 -0.065,623 0.03,624 -0.015,625 0.008,626 -0.015,627 0.089,628 0.026,629 -0.009,630 0.064,631 -0.022,632 0.041,633 -0.057,634 0.048,635 -0.019,637 -0.11,638 -0.085,639 -0.204,640 -0.145,641 -0.121,642 -0.183,643 2.048,644 5.53,645 0.781,646 33.863,647 0.997,648 1.13,649 3.302,650 10.902,651 0.654,652 3.611,653 3.97,654 4.277,655 4.554,656 4.804,657 4.92,658 5.063,659 5.147,660 5.226,661 5.303,662 7.896,663 0.617,664 435.59,665 3.611,666 5.176,667 6.047,668 6.94,669 7.826,670 8.722,671 9.613,672 10.51,673 11.403,674 12.301,675 4.8,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,713 1,714 62,716 17,717 2,718 36,720 66,721 26,722 14,723 6,724 6,725 1,730 5,731 7,736 1,740 5,741 1,743 6,745 15,746 11,747 1,750 1,755 1,759 1,761 1,762 1,764 30,765 5,766 3,767 6,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,815 1,818 1,819 3,823 1,825 1,827 32,828 1,833 7,835 1,837 3,838 1,846 1,847 3.2,850 1,851 1,854 16,855 11.093,856 6.861,857 3.976,858 3.143,859 1.372,860 1.009,861 5.959,862 11.582,863 3.829,864 4.428,865 5.016,866 5.59,867 6.092,868 6.389,869 6.714,870 6.922,871 6.897,872 7.032,873 1,874 54,875 11.924,877 5.238,878 7.714,879 23.273,881 20.302,883 2.214,884 70.833,887 1,888 317.82,889 124.957,890 52.807,892 36.145,893 14.96,895 124.957,896 353.965,897 67.767,898 8.825,899 51.839,900 65.905,901 40.849,902 44.346,903 28.875,904 306.049,906 317.82,907 177.764,908 51.105,911 203.298,912 154.627,913 11,915 80.574,916 97.19,919 332.78,920 88.952,921 124.957,924 317.82,925 50.227,926 77.854,927 16.786,928 84.002,929 317.82,930 103.912,931 124.957,933 0.593,934 0.351,935 0.188,936 0.104,937 27,938 12,939 0.076,940 5,941 2,942 1.16,943 4.371,944 299.752,945 0.16,946 25,947 160,951 21.48,952 8.877,953 4.318,954 2.016,955 87.126,956 12.824,958 3.242,961 4.044,963 49.683,964 546.689,965 45,970 11.501,974 -0.382,975 61.843,976 70.066,977 0.252,978 0.627,979 0.86,980 0.933,981 0.944,982 0.944,983 5.1,984 1.574,985 6.047,986 5.75,987 4.654,988 5.115,989 1.876,990 6.884,991 4.598,992 6.299,993 1.532,994 7.625,995 4.391,996 4.29,997 4.977,998 0.325,999 7.828,1000 4.214,1001 7.611,1002 1.474,1003 9.3,1004 3.904,1005 6.279,1006 7.303,1007 1.919,1008 10.927,1009 6.182,1010 8.956,1011 1.21,1012 11.033,1013 3.731,1014 6.723,1015 8.018,1016 0.268,1017 12.69,1018 6.613,1019 10.335,1020 1.182,1021 12.801,1022 3.187,1023 8.188,1024 9.844,1025 2.039,1026 15.305,1027 8.061,1028 11.737,1029 1.01,1030 14.594,1031 2.83,1032 8.999,1033 10.959,1034 0.188,1035 17.406,1036 8.862,1037 13.159,1038 0.664,1039 16.404,1040 2.389,1041 10.257,1042 12.586,1043 2.2,1044 19.855,1045 10.104,1046 3.177,1047 0.526,1048 18.228,1049 1.578,1050 11.238,1051 13.895,1052 0.125,1053 22.103,1054 11.075,1055 3.078,1056 10.938,1057 20.062,1058 1.291,1059 12.412,1060 15.439,1061 2.388,1062 24.495,1063 12.236,1064 2.823,1065 10.292,1066 21.905,1067 4.515,1068 13.473,1069 16.842,1070 0.082,1071 26.808,1072 13.286,1073 2.635,1074 8.772,1075 23.754,1076 4.006,1077 14.616,1078 18.353,1079 2.597,1080 29.182,1081 14.417,1082 2.425,1083 8.134,1084 25.609,1085 3.266,1086 15.714,1087 19.802,1088 0.054,1089 31.526,1090 15.504,1091 2.056,1092 7.617,1093 27.468,1094 3.212,1095 16.847,1096 21.301,1097 2.824,1098 33.897,1099 16.626,1100 1.986,1101 6.055,1102 29.332,1103 2.834,1104 17.963,1105 22.774,1106 0.035,1107 36.256,1108 17.732,1109 14828,1110 23664,1111 24.274,1112 40.523,1113 55.304,1114 55.766,1115 56.622,1116 54.772,1117 54.703,1118 68.071,1119 5.861,1120 161.719,1121 53.055,1122 5.581,1123 5.522,1124 6.254,1125 5.249,1126 5.177,1127 7.515,1128 2.302,1129 18.128,1130 5.137,1131 15.538,1132 1.536,1133 1.549,1134 1.573,1135 1.521,1136 1.52,1137 1.891,1138 0.163,1139 4.492,1140 1.474,1141 4.149,1142 4.183,1143 4.105,1144 4.063,1145 8.201,1146 4.069,1147 4.015,1148 4.038,1149 3.959,1150 3.943,1151 7.437,1152 3.943,1153 3.842,1154 3.9,1155 3.735,1156 3.704,1157 4.933,1158 3.703,1159 3.585,1160 3.623,1161 3.497,1162 3.425,1163 4.901,1164 3.431,1165 3.45,1166 3.504,1167 3.371,1168 3.293,1169 4.747,1170 3.301,1171 3.356,1172 3.429,1173 3.196,1174 3.203,1175 4.395,1176 3.19,1177 3.267,1178 3.355,1179 3.099,1180 3.098,1181 4.334,1182 3.077,1183 3.224,1184 3.288,1185 3.052,1186 2.989,1187 4.156,1188 3.008,1189 0.127,1190 0.098,1191 0.187,1192 0.116,1193 0.088,1194 4.581,1195 0.125,1196 3.522,1197 0.032,1198 6.718,1199 0.304,1200 4.164,1201 0.087,1202 3.177,1203 4.515,1204 1.151,1205 10.938,1206 3.137,1207 1.988,1208 1.967,1209 2.11,1210 2.095,1211 1.474,1212 2.101,1213 1.957,1214 1.933,1215 2.073,1216 2.051,1217 1.346,1218 2.059,1219 1.839,1220 1.789,1221 1.972,1222 1.988,1223 1.139,1224 1.985,1225 1.569,1226 1.522,1227 1.771,1228 1.76,1229 1.061,1230 1.761,1231 1.464,1232 1.411,1233 1.689,1234 1.683,1235 0.918,1236 1.678,1237 1.373,1238 1.302,1239 1.662,1240 1.576,1241 0.86,1242 1.611,1243 1.287,1244 1.205,1245 1.565,1246 1.509,1247 0.75,1248 1.544,1249 1.14,1250 1.083,1251 1.371,1252 1.436,1253 0.509,1254 1.426,1255 4.29,1257 5.638,1258 2.398,1259 7.182,1260 4.727,1261 8.814,1262 6.843,1263 10.492,1265 2.301,1267 13.53,1269 5.441,1271 6.647,1273 6.091,1275 1.021,1276 2.556,1280 38.252,1281 92.987,1282 231.296,1283 317.386,1284 344.405,1285 348.405,1286 348.405,1287 58.095,1288 8.439,1289 71.35,1290 71.35,1291 29,1292 12.825,1293 4.17,1294 3.322,1295 46.038,1296 154,1297 144,1298 0.145,1299 229.359,1300 399.39,1301 551.395,1302 64338,1303 1.6,1304 22.242,1305 0.695,1306 0.576,1307 21.372,1308 18.442,1309 15.491,1310 0.43,1311 0.321,1312 11.409,1313 14.957,1314 11.168,1315 9.138,1316 15.097,1317 11.541,1318 14.403,1319 0.277,1320 0.177,1321 13.77,1322 9.216,1323 12.405,1324 0.175,1325 0.102,1326 12.07,1327 7.273,1328 10.466,1329 0.111,1330 0.059,1331 10.207,1332 5.506,1333 8.606,1334 0.071,1335 0.033,1336 8.359,1337 4.04,1338 0.234,1339 96.617,1340 0.203,1341 30.249,1342 0.382,1343 176,1344 486.872,1345 190.75,1346 445.548,1347 606.05,1348 418,1349 211,1350 440.797,1351 224.721,1352 441.242,1353 650.66,1354 418,1355 7.553} {0 CHEMBL31217,1 1.432,2 14.758,3 4.194,4 17.592,5 134.317,6 6.84,7 0.568,8 4.267,9 4.396,10 3.774,11 3.789,12 5.265,13 3.759,14 4.829,15 5.016,16 4.111,17 4.195,18 5.749,19 4.144,20 5.077,21 5.292,22 4.16,23 4.36,24 5.947,25 4.266,26 5.124,27 5.358,28 4.073,29 4.374,30 5.93,31 4.241,32 5.151,33 5.413,34 4.035,35 4.303,36 5.965,37 4.165,38 5.061,39 5.305,40 3.922,41 4.194,42 5.883,43 4.069,44 4.952,45 5.192,46 3.821,47 4.091,48 5.794,49 3.967,50 4.879,51 5.13,52 3.708,53 4.011,54 5.697,55 3.87,56 0.064,57 0.951,58 15.001,59 5.993,60 10.289,61 8.315,62 0.265,63 1.544,64 27.957,65 9.801,66 24.124,67 13.885,68 0.488,69 1.859,70 36.562,71 13.32,72 37.577,73 18.745,74 0.23,75 1.925,76 37.781,77 14.83,78 30.252,79 21.178,80 0.392,81 1.886,82 39.901,83 14.801,84 42.317,85 21.384,86 0.369,87 1.679,88 36.821,89 13.111,90 38.889,91 18.412,92 0.391,93 1.518,94 33.008,95 11.588,96 37.773,97 16.338,98 0.445,99 1.393,100 30.759,101 11.027,102 34.218,103 15.664,104 7,105 51,106 0.227,107 0.541,108 0.724,109 0.83,110 0.85,111 0.855,112 3.531,113 0.951,114 -3.65,115 -3.62,116 -3.44,119 41.5,121 1,124 1,125 7,140 9,141 4,142 3,149 1,150 1,161 1,162 1,163 1,169 11,172 6,176 4,178 13,180 1,181 2,182 7,186 4,189 12,191 1,193 4,197 1,199 5,201 1,202 1,203 10,206 1,207 1,208 1,210 1,211 2,213 1,215 8,220 1,224 1,226 4,228 1,229 1,231 1,233 4,235 1,236 2,237 4,240 1,244 8,249 1,256 8,259 1957,260 22.955,261 22.955,262 22.955,263 22.955,264 22.955,265 20.591,266 24.883,267 13.745,268 23.534,269 18.272,270 18.272,271 18.272,272 18.272,273 18.272,274 14.602,275 30.953,276 6.475,277 19.189,278 4.59,279 2.609,280 1.454,281 0.781,282 0.658,283 0.627,284 4.245,289 1,290 1081,291 3.317,294 84.268,295 372.533,298 146.105,299 153.363,302 2.037,303 19.235,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70,315 487,316 4.557,317 3.289,318 6.702,319 4.122,320 3.146,321 4.504,322 0.86,323 10.889,324 3.076,325 4.55,326 3.187,327 6.546,328 4.076,329 3.092,330 4.479,331 0.86,332 10.36,333 3.042,334 3.836,335 2.921,336 5.798,337 3.565,338 2.625,339 3.201,340 0.8,341 7.964,342 2.461,343 3.715,344 2.779,345 5.318,346 3.33,347 2.395,348 3.128,349 0.8,350 6.866,351 2.242,352 3.592,353 2.677,354 5.256,355 3.26,356 2.328,357 2.93,359 6.661,360 2.163,361 3.346,362 2.426,363 5.096,364 3.091,365 2.152,366 2.674,368 6.04,369 2.018,370 3.339,371 2.168,372 5.045,373 2.943,374 1.973,375 2.416,377 5.914,378 1.903,379 2.932,380 1.77,381 4.581,382 2.516,383 1.549,384 2.124,386 4.486,387 1.494,388 2.783,389 1.664,390 4.159,391 2.441,392 1.489,393 1.856,395 3.542,396 1.417,397 2.751,398 1.44,399 3.988,400 2.336,401 1.372,402 1.835,404 3.371,405 1.314,406 2.527,407 1.39,408 3.617,409 2.282,410 1.306,411 1.529,413 2.979,414 1.264,415 2.315,416 1.201,417 3.414,418 2.01,419 1.06,420 1.274,422 2.275,423 1.004,424 2.224,425 1.146,426 3.374,427 1.967,428 1,429 1.129,431 2.105,432 0.965,433 2,434 1.052,435 3.322,436 1.806,437 0.825,438 1,440 1.99,441 0.807,442 1.978,443 0.842,444 3.061,445 1.617,446 0.673,447 0.859,449 1.402,450 0.632,451 15.767,452 0.478,453 0.636,454 0.019,455 41.25,456 1.25,457 19.5,458 0.591,459 21.75,460 0.659,461 28.994,462 0.879,463 35.833,464 0.551,465 30.911,466 0.937,467 8.238,468 0.25,469 7.97,470 0.242,471 0.057,473 0.304,479 0.994,480 1.339,481 0.874,482 1.118,483 1.068,484 0.997,485 1.435,486 1.02,487 1.005,488 0.909,489 1.028,490 0.897,491 1.235,492 0.928,493 1.053,494 0.942,495 1.007,496 0.972,497 0.778,498 1.169,499 1.029,500 1.194,501 0.8,502 1.151,503 0.728,504 0.99,505 0.902,506 1.056,507 0.744,508 1.008,509 1.465,510 1.038,511 1.08,512 1.06,513 1.288,514 1.042,515 1.461,516 1.039,517 1.126,518 1.07,519 1.204,520 1.071,521 1.146,522 0.924,523 1.07,524 1.031,525 1.055,526 1.048,527 5.5,528 0.131,529 3.556,530 1.729,531 1.622,532 0.854,533 0.659,534 0.341,535 0.195,536 0.225,537 18362,538 38553,539 2.168,540 49.2,542 26,543 1,545 3,547 2,550 1.747,551 2.084,552 3.811,553 0.772,559 93.072,560 1.432,561 3.413,562 4.568,563 5.242,564 5.365,565 5.395,566 3.216,567 4.802,568 5.019,569 3.985,570 2103.94,571 8.757,572 33275.7,577 391.454,578 1.182,579 4.999,580 0.149,581 0.005,582 0.07,583 0.033,584 0.035,585 0.02,586 0.017,587 0.01,588 0.007,589 0.008,590 0.353,591 0.33,592 0.88,593 0.704,594 178.927,595 -0.024,596 -0.126,597 0.071,598 -0.039,599 -0.08,600 0.019,601 -0.173,602 0.112,603 -0.009,604 0.093,605 -0.045,606 0.072,607 -0.031,608 0.114,609 -0.06,610 0.063,611 -0.022,612 0.009,613 -0.01,614 -0.168,615 -0.078,616 -0.164,617 -0.031,618 -0.134,619 0.169,620 -0.033,621 0.075,622 -0.064,623 0.167,624 -0.012,625 -0.12,626 -0.094,627 -0.067,628 -0.073,629 -0.118,630 -0.067,631 -0.087,632 -0.078,633 -0.11,634 -0.089,635 -0.055,636 -0.102,637 0.093,638 0.023,639 -0.064,640 -0.047,641 -0.002,642 -0.071,643 1.014,644 2.556,645 0.758,646 36.07,647 0.991,648 1.127,649 2.417,650 5.84,651 0.655,652 3.638,653 3.951,654 4.248,655 4.533,656 4.787,657 4.844,658 4.963,659 5.05,660 5.075,661 5.1,662 8.46,663 0.614,664 444.63,665 3.638,666 5.176,667 6.033,668 6.911,669 7.786,670 8.67,671 9.553,672 10.439,673 11.325,674 12.213,675 6.2,676 1,678 1,681 1,683 1,687 4,688 10,690 1,693 4,695 21,709 1,712 2,714 65,716 21,717 3,718 37,720 69,721 27,722 18,723 7,724 9,730 5,731 7,736 1,743 1,745 18,746 9,764 32,765 5,766 3,767 6,773 4,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,812 1,815 1,819 3,823 1,827 33,828 1,833 8,835 2,838 2,847 3.1,852 2,854 15.833,855 11.65,856 7.306,857 3.949,858 4.259,859 1.504,860 1.019,861 6.832,862 12.717,863 3.882,864 4.497,865 5.139,866 5.775,867 6.343,868 6.653,869 7.033,870 7.371,871 7.517,872 7.522,873 0.9,874 52,875 12.211,877 5.129,878 7.465,879 24.123,881 20.128,883 1.965,884 64.833,888 341.362,889 151.27,890 55.931,892 22,895 151.27,896 363.362,897 55.931,898 8.396,899 55.145,900 94.334,902 69.182,903 13.915,904 329.591,906 341.362,907 207.201,908 22,911 317.82,912 45.542,915 75.055,916 132.147,919 341.362,920 77.931,921 151.27,924 341.362,925 48.54,926 108.979,927 16.786,928 54.897,929 341.362,930 77.931,931 151.27,933 0.573,934 0.338,935 0.191,936 0.111,937 25,938 10,939 0.116,940 8,941 2,942 1.16,943 4.588,944 302.174,945 0.16,946 25,947 160.465,951 22.232,952 10.141,953 5.017,954 4.758,955 61.146,956 21.02,958 3.292,961 4.232,963 49.683,964 570.563,965 47.5,975 64.432,976 73.225,977 0.238,978 0.567,979 0.759,980 0.87,981 0.891,982 0.896,983 5.113,984 1.549,985 5.999,986 5.914,987 4.635,988 5.185,989 1.771,990 6.801,991 4.549,992 6.304,993 1.489,994 7.545,995 4.486,996 4.111,997 4.997,998 0.57,999 7.678,1000 3.992,1001 7.608,1002 1.372,1003 9.192,1004 3.542,1005 6.213,1006 7.446,1007 1.413,1008 10.796,1009 6.06,1010 8.953,1011 1.306,1012 10.902,1013 3.371,1014 6.553,1015 8.168,1016 0.479,1017 12.549,1018 6.382,1019 10.335,1020 1.06,1021 12.653,1022 2.979,1023 8.078,1024 10.061,1025 1.15,1026 15.172,1027 7.882,1028 11.745,1029 1,1030 14.434,1031 2.275,1032 8.832,1033 11.207,1034 0.346,1035 17.288,1036 8.626,1037 13.177,1038 0.825,1039 16.237,1040 2.105,1041 10.118,1042 12.874,1043 0.93,1044 19.745,1045 9.892,1046 3.146,1047 0.673,1048 18.057,1049 1.99,1050 11.073,1051 14.218,1052 0.237,1053 22.011,1054 10.839,1055 3.092,1056 10.889,1057 19.89,1058 1.402,1059 12.262,1060 15.789,1061 0.742,1062 24.411,1063 12.011,1064 2.625,1065 10.36,1066 21.734,1067 4.504,1068 13.312,1069 17.222,1070 0.158,1071 26.738,1072 13.051,1073 2.395,1074 7.964,1075 23.587,1076 4.479,1077 14.463,1078 18.753,1079 0.583,1080 29.119,1081 14.187,1082 2.328,1083 6.866,1084 25.446,1085 3.201,1086 15.559,1087 20.225,1088 0.104,1089 31.472,1090 15.269,1091 2.152,1092 6.661,1093 27.312,1094 3.128,1095 16.697,1096 21.739,1097 0.452,1098 33.846,1099 16.391,1100 1.973,1101 6.04,1102 29.182,1103 2.93,1104 17.813,1105 23.228,1106 0.068,1107 36.21,1108 17.493,1109 16925,1110 24677,1111 25.542,1112 42.591,1113 55.043,1114 55.327,1115 56.269,1116 54.82,1117 54.825,1118 70.864,1119 6.64,1120 155.625,1121 52.353,1122 5.557,1123 5.289,1124 6.468,1125 5.228,1126 5.146,1127 7.504,1128 1.72,1129 18.043,1130 5.076,1131 11.667,1132 1.488,1133 1.495,1134 1.521,1135 1.482,1136 1.482,1137 1.915,1138 0.179,1139 4.206,1140 1.415,1141 4.141,1142 4.172,1143 4.098,1144 4.064,1145 5.042,1146 4.068,1147 4.09,1148 4.115,1149 4.049,1150 4.027,1151 4.967,1152 4.03,1153 3.791,1154 3.863,1155 3.675,1156 3.597,1157 4.925,1158 3.607,1159 3.612,1160 3.654,1161 3.508,1162 3.44,1163 4.635,1164 3.447,1165 3.526,1166 3.588,1167 3.411,1168 3.389,1169 4.497,1170 3.387,1171 3.409,1172 3.466,1173 3.272,1174 3.225,1175 4.353,1176 3.226,1177 3.267,1178 3.341,1179 3.126,1180 3.072,1181 4.101,1182 3.076,1183 3.198,1184 3.29,1185 3.044,1186 3.003,1187 3.955,1188 3.002,1189 0.123,1190 0.089,1191 0.181,1192 0.111,1193 0.085,1194 4.557,1195 0.122,1196 3.289,1197 0.023,1198 6.702,1199 0.294,1200 4.122,1201 0.083,1202 3.146,1203 4.504,1204 0.86,1205 10.889,1206 3.076,1207 2.074,1208 2.056,1209 2.15,1210 2.148,1211 1.349,1212 2.15,1213 1.936,1214 1.918,1215 2.021,1216 2.025,1217 1.226,1218 2.024,1219 1.746,1220 1.674,1221 1.959,1222 1.963,1223 1.216,1224 1.968,1225 1.649,1226 1.591,1227 1.852,1228 1.846,1229 1.028,1230 1.854,1231 1.512,1232 1.476,1233 1.729,1234 1.735,1235 0.957,1236 1.731,1237 1.379,1238 1.326,1239 1.601,1240 1.58,1241 0.825,1242 1.582,1243 1.273,1244 1.185,1245 1.532,1246 1.529,1247 0.695,1248 1.544,1249 1.185,1250 1.097,1251 1.518,1252 1.444,1253 0.622,1254 1.477,1255 4.317,1257 5.631,1258 2.398,1259 7.146,1260 4.727,1261 8.756,1262 6.823,1263 10.419,1265 2.184,1269 5.728,1271 6.737,1273 12.027,1276 4.855,1280 39.89,1281 93.072,1282 221.875,1283 296.95,1284 340.699,1285 348.699,1286 350.699,1287 43.563,1288 8.458,1289 66.75,1290 66.75,1291 29,1292 12.744,1293 4.459,1294 3.524,1295 48.203,1296 171,1297 164,1298 0.135,1299 241.62,1300 408.08,1301 581.312,1302 70746,1304 22.623,1305 0.686,1306 0.582,1307 22.623,1308 19.219,1309 16.208,1310 0.438,1311 0.317,1312 11.567,1313 15.611,1314 11.305,1315 9.318,1316 16.208,1317 11.731,1318 14.231,1319 0.279,1320 0.171,1321 14.231,1322 8.707,1323 12.29,1324 0.178,1325 0.093,1326 12.29,1327 6.448,1328 10.428,1329 0.113,1330 0.05,1331 10.428,1332 4.577,1333 8.858,1334 0.074,1335 0.028,1336 8.858,1337 3.273,1338 0.22,1339 101.143,1340 0.198,1341 31.314,1342 0.347,1343 176,1344 432.406,1345 189.664,1346 417.702,1347 590.02,1348 398,1349 208,1350 444.881,1351 222.471,1352 451.186,1353 664.05,1354 427,1355 9.398} {0 CHEMBL312448,1 1.201,2 7.111,3 3.719,4 13.833,5 77.818,6 5.82,7 0.316,8 3.77,9 3.922,10 3.122,11 3.314,12 4.666,13 3.23,14 4.352,15 4.588,16 3.496,17 3.725,18 5.143,19 3.619,20 4.556,21 4.772,22 3.467,23 3.911,24 5.381,25 3.755,26 4.768,27 5.054,28 3.409,29 3.951,30 5.439,31 3.744,32 4.731,33 5.029,34 3.407,35 3.864,36 5.429,37 3.669,38 4.622,39 4.895,40 3.09,41 3.754,42 5.371,43 3.535,44 4.687,45 5.056,46 2.55,47 3.541,48 5.124,49 3.197,50 4.212,51 4.611,52 2.445,53 2.961,54 4.707,55 2.688,56 0.054,57 0.588,58 10.412,59 4.195,60 7.492,61 6.218,62 0.136,63 0.95,64 17.947,65 6.958,66 13.694,67 10.378,68 0.133,69 1.154,70 21.999,71 8.801,72 19.982,73 13.039,74 0.124,75 1.259,76 25.552,77 10.757,78 20.09,79 15.684,80 0.138,81 1.205,82 24.679,83 9.626,84 23.174,85 14.452,86 0.179,87 1.115,88 22.844,89 8.023,90 23.284,91 12.484,92 0.119,93 0.957,94 21.882,95 8.91,96 15.943,97 13.149,98 0.095,99 0.582,100 13.548,101 4.636,102 13.59,103 7.335,104 27,105 28,106 0.216,107 0.495,108 0.702,109 0.702,110 0.702,111 0.702,112 2.961,113 1.067,114 -4.84,115 -4.75,116 -4.46,119 38.1,120 5,121 1,123 1,125 2,140 2,141 4,156 1,169 13,172 1,174 1,176 1,178 20,182 1,186 1,189 19,193 2,197 2,199 13,203 4,208 4,211 10,215 1,220 1,222 3,226 1,231 1,237 3,242 3,259 334,260 11.334,261 11.334,262 11.334,263 11.334,264 11.334,265 10.258,266 17.413,267 6.502,268 11.469,269 9.369,270 9.369,271 9.369,272 9.369,273 9.369,274 7.726,275 21.19,276 3.099,277 9.584,278 4.191,279 2.643,280 1.495,281 1.495,282 1.495,283 1.495,284 3.601,287 1,288 1,289 1,290 262,291 3.082,294 52.252,295 60.433,302 1.346,303 8.479,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 37,315 128,316 4.539,317 3.571,318 7.128,319 4.345,320 3.346,321 4.143,322 1.505,323 11.757,324 3.345,325 4.178,326 3.294,327 6.401,328 3.928,329 2.933,330 3.427,331 0.368,332 9.712,333 2.92,334 3.798,335 2.917,336 5.329,337 3.393,338 2.456,339 3.053,340 0.265,341 6.906,342 2.298,343 3.232,344 2.147,345 4.879,346 2.879,347 1.879,348 2.481,350 5.225,351 1.879,352 2.921,353 1.763,354 4.665,355 2.601,356 1.607,357 2.029,359 4.845,360 1.597,361 2.265,362 1.453,363 3.608,364 2.172,365 1.202,366 1.249,368 2.702,369 1.163,370 1.808,371 1.104,372 3.198,373 1.518,374 0.618,375 0.672,377 1.372,378 0.556,379 1.571,380 0.915,381 3,382 1.428,383 0.442,384 0.486,386 1.148,387 0.435,388 1,389 -0.11,390 2.653,391 0.653,392 -0.347,393 -0.445,395 -0.898,396 -0.347,397 0.556,398 -0.228,399 2.651,400 0.303,401 -0.681,402 -0.765,404 -1.839,405 -0.669,406 0.173,407 -0.646,408 2.11,410 -1,411 -1,413 -2.732,414 -1,416 -1,417 2,419 -1,420 -1,422 -3,423 -1,425 -1,426 2,428 -1,429 -1.144,431 -3,432 -1,433 -0.232,434 -1.05,435 1.468,436 -0.532,437 -1.52,438 -1.595,440 -3.628,441 -1.456,442 -0.3,443 -1.168,444 1.332,445 -0.55,446 -1.532,447 -1.883,449 -4.372,450 -1.466,451 8.8,452 0.489,453 0.71,454 0.039,455 18,456 1,457 7.5,458 0.417,459 10.5,460 0.583,461 19.02,462 1.057,463 20.6,464 0.49,465 10.016,466 0.556,467 3.203,468 0.178,469 5.173,470 0.287,471 0.284,472 0.057,473 0.284,479 1.036,480 1.366,481 1.086,482 1.223,483 1.319,484 1.169,485 0.968,486 0.899,487 0.837,488 0.84,489 0.735,490 0.832,491 1.356,492 1.218,493 1.367,494 1.302,495 1.473,496 1.329,497 0.498,498 1.082,499 0.97,500 1.11,501 0.789,502 1.077,503 0.637,504 1.11,505 0.868,506 1.022,507 0.574,508 0.97,509 1.903,510 1.193,511 1.491,512 1.278,513 1.935,514 1.344,515 0.357,516 0.841,517 0.782,518 0.889,519 0.562,520 0.867,521 0.546,522 0.678,523 0.376,524 0.48,525 0.263,526 0.428,527 5.5,529 2.444,530 1.472,531 1.519,532 0.534,533 0.302,534 0.202,535 0.117,536 0.074,537 2460,538 4162,539 1.919,540 57.1,541 15,542 6,545 1,546 2,550 1.589,551 1.728,552 2.817,553 -0.389,555 1,557 1,559 50.438,560 1.201,561 2.75,562 3.897,563 3.897,564 3.897,565 3.897,566 2.241,567 3.044,568 4.141,569 2.996,570 458.419,571 7.038,572 4278.97,573 1,574 1,576 1,577 226.477,578 1.788,579 4.043,580 0.289,582 0.087,583 0.059,584 0.066,585 0.023,586 0.022,587 0.029,588 0.015,589 0.012,590 0.602,591 0.83,592 1,593 0.977,594 75.473,595 0.034,596 -0.079,597 0.04,598 -0.013,599 -0.222,600 0.009,601 0.199,602 0.234,603 0.223,604 0.233,605 0.28,606 0.23,607 -0.293,608 -0.06,609 -0.309,610 -0.199,611 -0.342,612 -0.246,613 0.062,614 -0.118,615 -0.017,616 -0.078,617 -0.001,618 -0.057,619 0.159,620 -0.155,621 0.093,622 -0.032,623 0.307,624 0.016,625 -0.434,626 -0.124,627 -0.458,628 -0.312,629 -0.598,630 -0.374,631 0.132,632 -0.063,633 0.082,634 0.007,635 0.082,636 0.035,637 0.396,638 0.065,639 0.502,640 0.324,641 0.593,642 0.403,643 1.031,644 1.49,645 0.611,646 11.79,647 0.974,648 1.132,649 3.608,650 13.014,651 0.628,652 2.996,653 3.367,654 3.526,655 3.714,656 3.85,657 3.829,658 3.85,659 3.664,660 3.497,661 3.367,662 4.533,663 0.568,664 244.42,665 2.996,666 4.554,667 5.38,668 6.271,669 7.124,670 8.011,671 8.874,672 9.759,673 10.628,674 11.511,675 4.8,677 1,684 1,688 2,693 4,695 6,714 42,716 7,717 1,718 19,720 43,721 16,722 6,723 4,724 2,730 2,731 2,736 5,737 1,743 1,745 7,746 9,750 1,758 1,759 1,761 1,764 24,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 5,827 18,833 3,834 1,839 1,854 10.417,855 9.117,856 3.806,857 2.608,858 1.45,859 1.242,860 0.925,861 3.584,862 7.436,863 3.178,864 3.773,865 4.223,866 4.702,867 5.146,868 5.294,869 5.438,870 5.375,871 5.411,872 5.316,873 0.8,874 25,875 6.673,877 2.684,878 7.366,879 13.376,881 10.933,883 1.866,884 33.583,885 0.004,888 270.735,889 84.895,890 34.796,895 84.895,896 270.735,897 34.796,898 44.126,899 6.746,900 36.963,901 2.328,902 29.528,904 270.735,906 270.735,907 119.691,911 270.735,915 85.668,916 34.023,919 270.735,920 34.796,921 84.895,924 270.735,925 21.816,926 63.079,927 18.011,928 16.786,929 270.735,930 34.796,931 84.895,933 0.604,934 0.33,935 0.161,936 0.086,937 14,938 7,939 0.07,940 3,942 1,943 2.906,944 125.844,946 11,947 64.304,951 13.293,952 4.853,953 3.014,955 34.796,956 4.662,961 5.617,963 18.011,964 390.426,965 23,973 4.49,974 1.143,975 40.923,976 47.564,977 0.223,978 0.51,979 0.723,980 0.723,981 0.723,982 0.723,983 4.46,984 0.442,985 5.451,986 1.372,987 4.043,988 4.454,989 1.696,990 6.319,991 4.008,992 5.711,993 -0.347,994 7.067,995 1.148,996 4.007,997 4.511,998 0.904,999 7.591,1000 3.986,1001 7.061,1002 -0.681,1003 8.799,1004 -0.898,1005 5.771,1006 6.632,1007 2.113,1008 10.562,1009 5.723,1010 8.444,1011 -1,1012 10.596,1013 -1.839,1014 6.479,1015 7.398,1016 1.864,1017 12.577,1018 6.446,1019 9.853,1020 -1,1021 12.435,1022 -2.732,1023 7.836,1024 9.104,1025 2.717,1026 15.178,1027 7.79,1028 11.28,1029 -1,1030 14.302,1031 -3,1032 8.83,1033 10.183,1034 2.755,1035 17.46,1036 8.796,1037 12.72,1038 -1.52,1039 16.188,1040 -3,1041 10.061,1042 11.728,1043 3.416,1044 19.953,1045 10.025,1046 3.346,1047 -1.532,1048 18.089,1049 -3.628,1050 11.168,1051 12.964,1052 3.615,1053 22.336,1054 11.14,1055 2.933,1056 11.757,1057 20.001,1058 -4.372,1059 12.363,1060 14.438,1061 4.169,1062 24.797,1063 12.335,1064 2.456,1065 9.712,1066 21.921,1067 4.143,1068 13.517,1069 15.757,1070 4.458,1071 27.221,1072 13.494,1073 1.879,1074 6.906,1075 23.848,1076 3.427,1077 14.704,1078 17.199,1079 4.951,1080 29.675,1081 14.683,1082 1.607,1083 5.225,1084 25.78,1085 3.053,1086 15.879,1087 18.562,1088 5.291,1089 32.117,1090 15.86,1091 1.202,1092 4.845,1093 27.716,1094 2.481,1095 17.067,1096 19.991,1097 5.749,1098 34.571,1099 17.05,1100 0.618,1101 2.702,1102 29.657,1103 2.029,1104 18.252,1105 21.379,1106 6.119,1107 37.022,1108 18.238,1109 2562,1110 3405,1111 11.731,1112 26.387,1113 29.255,1114 29.693,1115 29.257,1116 28.867,1117 28.965,1118 35.079,1119 4.277,1120 87.337,1121 28.388,1122 5.439,1123 5.571,1124 6.741,1125 5.355,1126 5.346,1127 7.143,1128 2.65,1129 18.821,1130 5.345,1131 10.781,1132 1.54,1133 1.563,1134 1.54,1135 1.519,1136 1.524,1137 1.846,1138 0.225,1139 4.597,1140 1.494,1141 4.026,1142 4.057,1143 3.965,1144 3.974,1145 4.788,1146 3.968,1147 3.778,1148 3.849,1149 3.684,1150 3.602,1151 4.65,1152 3.609,1153 3.606,1154 3.67,1155 3.46,1156 3.475,1157 4.238,1158 3.467,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 3.966,1164 3.101,1165 3.076,1166 3.157,1167 2.883,1168 2.938,1169 3.64,1170 2.915,1171 2.933,1172 3.037,1173 2.661,1174 2.742,1175 3.553,1176 2.708,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.239,1190 0.188,1191 0.375,1192 0.229,1193 0.176,1194 4.539,1195 0.218,1196 3.571,1197 0.079,1198 7.128,1199 0.619,1200 4.345,1201 0.176,1202 3.346,1203 4.143,1204 1.505,1205 11.757,1206 3.345,1207 2.004,1208 1.98,1209 2.121,1210 2.074,1211 1.35,1212 2.091,1213 1.671,1214 1.617,1215 1.906,1216 1.823,1217 1.116,1218 1.853,1219 1.446,1220 1.364,1221 1.73,1222 1.681,1223 1.004,1224 1.704,1225 1.381,1226 1.309,1227 1.639,1228 1.614,1229 0.754,1230 1.61,1231 1.303,1232 1.226,1233 1.59,1234 1.507,1235 0.719,1236 1.557,1237 0.979,1238 0.887,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.353,1252 1.214,1253 0.432,1254 1.268,1255 3.664,1257 5.017,1258 2.398,1259 6.541,1260 4.443,1261 8.148,1262 6.26,1263 9.801,1265 11.233,1271 2.864,1272 3.354,1277 0.219,1280 23.838,1281 50.438,1282 115.484,1283 163.683,1284 163.683,1285 163.683,1286 163.683,1287 25.172,1288 5.986,1289 24.39,1290 24.39,1291 11,1292 12.048,1293 3,1294 2.322,1295 30.934,1296 49,1297 40,1298 0.329,1299 151.34,1300 261.18,1301 361.03,1302 2296,1304 13.336,1305 0.741,1306 0.679,1307 13.336,1308 12.223,1309 8.376,1310 0.441,1311 0.356,1312 6.717,1313 8.236,1314 6.252,1315 5.332,1316 8.376,1317 6.755,1318 8.539,1319 0.305,1320 0.224,1321 8.539,1322 6.271,1323 6.079,1324 0.184,1325 0.111,1326 6.079,1327 3.65,1328 4.707,1329 0.118,1330 0.061,1331 4.707,1332 2.438,1333 3.52,1334 0.077,1335 0.036,1336 3.52,1337 1.672,1338 0.496,1339 51.164,1340 0.292,1341 17.854,1342 0.962,1343 94,1344 177.978,1345 97.497,1346 182.689,1347 257.27,1348 172,1349 108,1350 193.803,1351 111.358,1352 205.361,1353 293.56,1354 190,1355 6.433} {0 CHEMBL312525,1 1.377,2 7.789,3 3.174,4 10.074,5 78.591,6 6.574,7 0.476,8 3.74,9 3.876,10 3.207,11 3.306,12 4.714,13 3.254,14 4.319,15 4.513,16 3.546,17 3.739,18 5.181,19 3.651,20 4.607,21 4.855,22 3.612,23 3.885,24 5.415,25 3.762,26 4.656,27 4.909,28 3.552,29 3.877,30 5.494,31 3.735,32 4.616,33 4.883,34 3.389,35 3.775,36 5.402,37 3.608,38 4.537,39 4.819,40 3.201,41 3.588,42 5.38,43 3.414,44 4.354,45 4.66,46 2.823,47 3.326,48 5.197,49 3.124,50 3.971,51 4.263,52 2.493,53 3.017,54 4.78,55 2.818,56 0.043,57 0.562,58 9.102,59 3.78,60 7.047,61 5.351,62 0.104,63 0.939,64 16.692,65 6.59,66 12.08,67 9.508,68 0.153,69 1.173,70 22.65,71 8.554,72 19.352,73 12.611,74 0.228,75 1.187,76 24.002,77 8.986,78 25.737,79 13.151,80 0.145,81 1.099,82 22.976,83 8.858,84 21.676,85 12.893,86 0.214,87 0.983,88 21.678,89 7.598,90 29.216,91 11.169,92 0.257,93 0.773,94 18.313,95 6.071,96 31.727,97 9.038,98 0.119,99 0.528,100 12.215,101 4.449,102 17.664,103 6.444,104 11,105 29,106 0.248,107 0.622,108 0.837,109 0.883,110 0.883,111 0.883,112 3.012,113 1.019,114 -3.76,115 -3.73,116 -3.54,119 41,120 1,121 4,125 1,127 1,140 2,141 4,149 1,150 1,153 1,169 9,172 1,176 6,178 11,182 1,186 5,189 11,193 1,195 1,197 4,199 7,203 3,208 3,211 5,215 2,219 1,220 2,222 4,226 1,229 1,233 4,242 1,244 3,249 1,254 1,256 1,259 420,260 13.309,261 13.309,262 13.309,263 13.309,264 13.309,265 12.106,266 12.428,267 7.966,268 13.411,269 10.285,270 10.285,271 10.285,272 10.285,273 10.285,274 8.324,275 14.54,276 3.644,277 10.445,278 3.909,279 1.828,280 0.635,281 0.378,282 0.378,283 0.378,284 3.694,287 1,288 1,289 1,290 318,291 2.646,294 31.77,295 68.812,298 54.185,299 58.8,302 1.191,303 12.974,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 40,315 148,316 4.686,317 3.392,318 6.916,319 4.252,320 3.259,321 4.646,322 0.4,323 11.649,324 3.237,325 3.917,326 2.959,327 5.915,328 3.627,329 2.642,330 3.359,332 8.291,333 2.603,334 3.456,335 2.616,336 5.255,337 3.22,338 2.244,339 2.811,341 6.639,342 2.187,343 3.308,344 2.391,345 5.107,346 2.945,347 1.96,348 2.369,350 5.878,351 1.926,352 2.951,353 1.931,354 4.629,355 2.608,356 1.607,357 2.086,359 4.57,360 1.607,361 2.455,362 1.603,363 3.706,364 2.398,365 1.419,366 1.444,368 2.676,369 1.387,370 2.384,371 1.511,372 3.469,373 1.875,374 0.881,375 1.27,377 2.165,378 0.869,379 2.067,380 0.915,381 3.292,382 1.803,383 0.829,384 0.952,386 1.906,387 0.806,388 1.976,389 0.828,390 2.757,391 1.444,392 0.388,393 0.56,395 0.631,396 0.402,397 1.355,398 0.464,399 2.602,400 1.239,401 0.247,402 0.288,404 0.397,405 0.247,406 0.852,407 -0.184,408 2.501,409 0.623,410 -0.36,411 -0.407,413 -0.775,414 -0.353,415 0.77,416 -0.377,417 2.168,418 0.402,419 -0.605,420 -0.749,422 -1.475,423 -0.607,424 0.304,425 -0.858,426 2.116,427 0.055,428 -0.934,429 -1.086,431 -2.08,432 -0.921,433 0.12,434 -0.917,435 2,436 -0.104,437 -1.097,438 -1.335,440 -3.071,441 -1.088,442 -0.033,443 -1.179,444 1.537,445 -0.304,446 -1.299,447 -1.647,449 -3.383,450 -1.284,451 9.133,452 0.481,453 0.342,454 0.018,455 21.25,456 1.118,457 9.5,458 0.5,459 11.75,460 0.618,461 16.341,462 0.86,463 20.867,464 0.535,465 12.539,466 0.66,467 3.881,468 0.204,469 5.449,470 0.287,471 0.091,473 0.328,479 0.773,480 1.211,481 0.914,482 1.059,483 0.518,484 1.002,485 0.822,486 1.13,487 0.968,488 1.031,489 0.607,490 1.012,491 0.717,492 1.019,493 0.912,494 0.97,495 0.447,496 0.953,497 0.801,498 1.01,499 0.999,500 1.03,501 0.726,502 1.03,503 0.722,504 1.127,505 0.962,506 1.127,507 0.74,508 1.08,509 1.1,510 1.048,511 1.025,512 1.055,513 1.192,514 1.039,515 1.302,516 0.769,517 1.046,518 0.839,519 1.432,520 0.905,521 1.206,522 0.889,523 1.039,524 0.958,525 1.442,526 0.987,527 3,529 2,530 1.16,531 1.103,532 0.521,533 0.342,534 0.171,535 0.089,536 0.06,537 2994,538 6323,539 2.113,540 51.3,541 5,542 5,543 1,544 1,545 2,547 6,550 1.607,551 2,552 2.936,553 0.29,555 1,557 1,559 53.692,560 1.377,561 3.457,562 4.651,563 4.907,564 4.907,565 4.907,566 2.439,567 3.932,568 4.213,569 3.032,570 518.486,571 7.201,572 4932.92,573 1,574 1,576 1,577 206.131,578 1.324,579 4.189,580 0.143,582 0.069,583 0.039,584 0.041,585 0.024,586 0.02,587 0.016,588 0.011,589 0.012,590 0.374,591 0.83,592 1,593 1.354,594 80.839,595 -0.042,596 0.012,597 0.043,598 0.051,599 0.027,600 0.056,601 -0.066,602 -0.009,603 -0.01,604 0.02,605 -0.024,606 0.012,607 -0.011,608 0.017,609 0.044,610 0.03,611 0.057,612 0.043,613 0.051,614 -0.004,615 -0.035,616 -0.042,617 0.039,618 -0.045,619 0.039,620 -0.181,621 -0.012,622 -0.135,623 0.032,624 -0.088,625 0.015,626 -0.117,627 -0.038,628 -0.117,629 -0.032,630 -0.09,631 -0.021,632 0.128,633 -0.043,634 0.065,635 -0.071,636 0.018,637 -0.102,638 -0.01,639 -0.061,640 -0.008,641 -0.134,642 -0.029,643 1.039,644 4.185,645 0.684,646 12.343,647 0.987,648 1.127,649 2.534,650 6.42,651 0.649,652 3.091,653 3.401,654 3.738,655 4.06,656 4.317,657 4.419,658 4.533,659 4.663,660 4.644,661 4.5,662 4.561,663 0.603,664 256.38,665 3.091,666 4.615,667 5.485,668 6.378,669 7.276,670 8.182,671 9.089,672 10.001,673 10.912,674 11.826,675 5.1,677 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 39,716 11,717 1,718 21,720 41,721 16,722 8,723 4,724 2,725 1,730 3,731 6,736 1,740 4,743 5,745 9,746 7,750 1,755 1,757 1,761 1,764 20,765 2,766 2,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,814 1,819 1,823 1,827 19,833 5,834 1,837 1,847 2.6,850 1,854 9.5,855 7.083,856 4.361,857 2.688,858 2.249,859 1.329,860 0.997,861 3.496,862 9.09,863 3.332,864 3.917,865 4.594,866 5.255,867 5.788,868 6.168,869 6.528,870 6.916,871 6.965,872 7.028,873 1,874 30,875 7.052,877 2.985,878 7.561,879 14,881 11.949,883 2.061,884 39.167,885 0.002,888 211.88,889 74.767,890 34.796,892 25.145,895 74.767,896 237.025,897 34.796,898 8.825,899 12.244,900 46.011,901 48.34,902 28.915,903 13.915,904 188.338,906 211.88,907 109.563,908 25.145,911 141.253,912 95.772,915 55.865,916 42.274,917 11.424,919 211.88,920 59.941,921 74.767,924 211.88,925 26.518,926 48.249,927 34.796,928 25.145,929 211.88,930 59.941,931 74.767,933 0.563,934 0.345,935 0.201,936 0.117,937 15,938 6,939 0.098,940 4,941 2,942 1.308,943 3.123,944 144.283,945 0.308,946 13,947 80.711,951 12.585,952 5.278,953 2.243,954 2.215,955 43.156,956 6.126,958 3.196,961 3.563,963 34.796,964 346.588,965 27,970 11.185,972 0.961,975 38.483,976 43.943,977 0.26,978 0.654,979 0.88,980 0.928,981 0.928,982 0.928,983 4.559,984 0.829,985 5.46,986 2.165,987 4.078,988 4.6,989 0.278,990 6.308,991 4.051,992 5.749,993 0.388,994 7.033,995 1.906,996 3.611,997 4.477,999 7.302,1000 3.578,1001 7.06,1002 0.247,1003 8.712,1004 0.631,1005 5.687,1006 6.88,1007 0.05,1008 10.453,1009 5.638,1010 8.419,1011 -0.36,1012 10.456,1013 0.397,1014 6.111,1015 7.704,1017 12.329,1018 6.062,1019 9.821,1020 -0.605,1021 12.244,1022 -0.775,1023 7.617,1024 9.553,1025 0.008,1026 15.004,1027 7.555,1028 11.254,1029 -0.934,1030 14.062,1031 -1.475,1032 8.456,1033 10.79,1035 17.234,1036 8.394,1037 12.71,1038 -1.097,1039 15.903,1040 -2.08,1041 9.745,1042 12.44,1043 0.001,1044 19.758,1045 9.673,1046 3.259,1047 -1.299,1048 17.761,1049 -3.071,1050 10.773,1051 13.853,1053 22.127,1054 10.7,1055 2.642,1056 11.649,1057 19.634,1058 -3.383,1059 11.982,1060 15.429,1062 24.603,1063 11.902,1064 2.244,1065 8.291,1066 21.517,1067 4.646,1068 13.094,1069 16.914,1071 27.025,1072 13.01,1073 1.96,1074 6.639,1075 23.409,1076 3.359,1077 14.277,1078 18.464,1080 29.485,1081 14.187,1082 1.607,1083 5.878,1084 25.309,1085 2.811,1086 15.425,1087 19.979,1089 31.927,1090 15.33,1091 1.419,1092 4.57,1093 27.215,1094 2.369,1095 16.601,1096 21.52,1098 34.383,1099 16.501,1100 0.881,1101 2.676,1102 29.125,1103 2.086,1104 17.766,1105 23.047,1107 36.833,1108 17.66,1109 2997,1110 4451,1111 14.216,1112 25.319,1113 31.396,1114 32.878,1115 32.388,1116 31.014,1117 30.955,1118 39.57,1119 0.8,1120 89.603,1121 30.541,1122 5.631,1123 5.392,1124 6.779,1125 5.258,1126 5.259,1127 7.646,1128 0.8,1129 18.923,1130 5.237,1131 7.676,1132 1.495,1133 1.566,1134 1.542,1135 1.477,1136 1.474,1137 1.884,1138 0.038,1139 4.267,1140 1.454,1141 4.163,1142 4.192,1143 4.123,1144 4.091,1145 7.452,1146 4.095,1147 3.775,1148 3.84,1149 3.663,1150 3.629,1151 4.934,1152 3.629,1153 3.583,1154 3.654,1155 3.424,1156 3.435,1157 4.401,1158 3.42,1159 3.357,1160 3.403,1161 3.235,1162 3.231,1163 4.221,1164 3.223,1165 3.129,1166 3.192,1167 3.004,1168 2.905,1169 3.967,1170 2.903,1171 3.034,1172 3.119,1173 2.845,1174 2.839,1175 3.699,1176 2.844,1177 2.936,1178 3.03,1179 2.726,1180 2.671,1181 3.541,1182 2.675,1183 2.669,1184 2.75,1185 2.442,1186 2.48,1187 3.269,1188 2.461,1189 0.223,1190 0.162,1191 0.329,1192 0.202,1193 0.155,1194 4.686,1195 0.221,1196 3.392,1197 0.019,1198 6.916,1199 0.555,1200 4.252,1201 0.154,1202 3.259,1203 4.646,1204 0.4,1205 11.649,1206 3.237,1207 2.029,1208 2.006,1209 2.135,1210 2.11,1211 1.46,1212 2.12,1213 1.677,1214 1.611,1215 1.925,1216 1.873,1217 1.161,1218 1.891,1219 1.556,1220 1.515,1221 1.76,1222 1.766,1223 1.002,1224 1.761,1225 1.525,1226 1.464,1227 1.678,1228 1.682,1229 0.784,1230 1.696,1231 1.179,1232 1.103,1233 1.479,1234 1.409,1235 0.672,1236 1.436,1237 0.967,1238 0.898,1239 1.346,1240 1.242,1241 0.498,1242 1.273,1243 0.932,1244 0.828,1245 1.211,1246 1.219,1247 0.331,1248 1.232,1249 0.655,1250 0.567,1251 1.024,1252 0.893,1253 0.148,1254 0.945,1255 3.761,1257 5.069,1258 2.398,1259 6.597,1260 4.727,1261 8.236,1262 6.843,1263 9.938,1265 2.193,1271 5.571,1272 3.608,1275 0.549,1280 23.499,1281 53.692,1282 134.828,1283 181.376,1284 191.376,1285 191.376,1286 191.376,1287 25.666,1288 6.842,1289 44.89,1290 44.89,1291 17,1292 12.339,1293 3.585,1294 2.807,1295 27.687,1296 50,1297 66,1298 0.28,1299 145.016,1300 244.07,1301 345.598,1302 7300,1304 13.242,1305 0.697,1306 0.596,1307 13.242,1308 11.331,1309 9.33,1310 0.444,1311 0.34,1312 7.08,1313 9.109,1314 6.9,1315 5.743,1316 9.33,1317 7.135,1318 7.906,1319 0.273,1320 0.186,1321 7.906,1322 5.382,1323 7.047,1324 0.172,1325 0.1,1326 7.047,1327 4.104,1328 6.082,1329 0.107,1330 0.055,1331 6.082,1332 3.13,1333 5.145,1334 0.07,1335 0.032,1336 5.145,1337 2.386,1338 0.418,1339 57.596,1340 0.265,1341 18.609,1342 0.827,1343 100,1344 230.401,1345 104.881,1346 226.749,1347 315.14,1348 214,1349 120,1350 231.108,1351 124.993,1352 237.447,1353 349.78,1354 225,1355 7.569} {0 CHEMBL312845,1 1.456,2 12.125,3 2.535,4 6.426,5 95.28,6 6.461,7 0.24,8 3.989,9 4.138,10 3.417,11 3.446,12 5.007,13 3.407,14 4.55,15 4.767,16 3.689,17 3.808,18 5.47,19 3.724,20 4.835,21 5.103,22 3.693,23 3.921,24 5.677,25 3.804,26 4.812,27 5.09,28 3.609,29 3.873,30 5.65,31 3.737,32 4.776,33 5.06,34 3.464,35 3.845,36 5.57,37 3.691,38 4.771,39 5.075,40 3.358,41 3.793,42 5.589,43 3.602,44 4.656,45 4.968,46 3.21,47 3.638,48 5.484,49 3.451,50 4.483,51 4.79,52 3.126,53 3.498,54 5.263,55 3.325,56 0.056,57 0.745,58 12.225,59 4.299,60 12.218,61 6.604,62 0.257,63 1.109,64 21.98,65 7.394,66 24.781,67 11.119,68 0.393,69 1.281,70 29.689,71 8.438,72 38.693,73 13.704,74 0.388,75 1.242,76 28.901,77 8.486,78 41.296,79 13.593,80 0.329,81 1.205,82 27.746,83 7.859,84 33.658,85 13.094,86 0.303,87 1.138,88 27.34,89 8.598,90 40.684,91 13.726,92 0.322,93 0.989,94 24.552,95 6.975,96 43.123,97 11.68,98 0.229,99 0.855,100 20.525,101 6.041,102 29.196,103 9.956,104 25,105 31,106 0.249,107 0.58,108 0.791,109 0.863,110 0.87,111 0.87,112 3.226,113 1.033,114 -3.52,115 -3.49,116 -3.33,119 35.3,120 2,121 3,125 3,127 2,140 4,141 1,142 1,156 1,157 1,169 6,172 5,174 3,175 1,176 2,178 7,182 3,184 1,186 1,189 5,192 1,193 2,195 1,196 1,197 6,199 3,203 1,208 2,211 2,215 3,218 1,219 1,220 2,222 3,229 1,231 2,233 2,240 1,242 3,244 2,248 1,249 1,252 1,254 3,256 1,259 838,260 16.336,261 16.336,262 16.336,263 16.336,264 16.336,265 15.146,266 25.085,267 10.362,268 16.786,269 12.369,270 12.369,271 12.369,272 12.369,273 12.369,274 10.524,275 32.012,276 4.907,277 13.074,278 4.217,279 2.273,280 1.04,281 0.618,282 0.579,283 0.579,284 3.897,287 1,288 1,289 1,290 598,291 4.062,295 147.685,299 125.225,302 1.875,303 16.875,305 1,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 51.5,315 291,316 4.228,317 3.921,318 6.183,319 3.882,320 2.923,321 3.815,322 1.374,323 9.226,324 2.805,325 3.918,326 3.256,327 5.427,328 3.488,329 2.574,330 3.165,331 1.107,332 7.222,333 2.355,334 3.42,335 3.039,336 5.257,337 3.259,338 2.303,339 2.443,340 0.86,341 6.678,342 2.19,343 3.388,344 2.555,345 4.43,346 2.916,347 1.964,348 2.077,349 0.4,350 4.604,351 1.865,352 2.936,353 2.144,354 4.415,355 2.656,356 1.701,357 2.047,358 0.268,359 4.371,360 1.623,361 2.927,362 1.977,363 3.783,364 2.589,365 1.618,366 1.988,368 3.498,369 1.564,370 2.858,371 1.861,372 3.616,373 2.399,374 1.417,375 1.789,377 3.014,378 1.387,379 2.678,380 1.498,381 3.345,382 2.107,383 1.192,384 1.584,386 2.384,387 1.09,388 2.123,389 1.37,390 3.162,391 1.858,392 0.926,393 1.074,395 1.708,396 0.861,397 1.886,398 0.807,399 2.988,400 1.655,401 0.688,402 0.801,404 1.516,405 0.662,406 1.407,407 0.688,408 2.689,409 1.229,410 0.299,411 0.322,413 0.65,414 0.277,415 1.262,416 0.544,417 2.337,418 0.685,419 -0.256,420 -0.28,422 -0.606,423 -0.24,424 0.896,425 0.008,426 2.15,427 0.55,428 -0.366,429 -0.488,431 -0.641,432 -0.334,433 0.69,434 -0.274,435 2,436 0.352,437 -0.618,438 -0.718,440 -1.384,441 -0.584,442 0.56,443 -0.339,444 1.876,445 0.311,446 -0.628,447 -0.729,449 -1.6,450 -0.597,451 11.333,452 0.472,453 0.4,454 0.017,455 26.25,456 1.094,457 11,458 0.458,459 15.25,460 0.635,461 21.615,462 0.901,463 27.667,464 0.542,465 16.622,466 0.693,467 4.964,468 0.207,469 6.722,470 0.28,471 0.124,473 0.221,479 0.996,480 1.54,481 0.965,482 1.296,483 0.624,484 1.146,485 0.983,486 1.111,487 1.02,488 1.187,489 0.522,490 1.124,491 1.398,492 0.992,493 1.053,494 0.949,495 0.85,496 0.961,497 1.19,498 0.968,499 1.03,500 0.98,501 0.639,502 0.991,503 1.241,504 0.976,505 1.164,506 0.985,507 0.947,508 1.046,509 0.77,510 0.965,511 0.981,512 1.036,513 1.09,514 1.037,515 0.941,516 0.917,517 1.004,518 0.92,519 1.673,520 0.959,521 0.858,522 0.955,523 0.954,524 0.959,525 0.866,526 0.962,527 4,528 0.099,529 1.556,530 0.938,531 0.916,532 0.396,533 0.202,534 0.118,535 0.14,536 0.071,537 7235,538 17373,539 1.996,540 52.9,541 2,542 12,545 3,547 8,548 2,550 1.66,551 1.895,552 3.558,553 0.998,554 1,555 1,559 74.243,560 1.456,561 3.399,562 4.633,563 5.055,564 5.094,565 5.094,566 2.939,567 3.97,568 4.561,569 3.771,570 1040.86,571 7.818,572 13689.6,574 1,576 1,577 289.294,578 1.236,579 4.528,580 0.16,581 0.006,582 0.05,583 0.031,584 0.034,585 0.017,586 0.01,587 0.007,588 0.009,589 0.004,590 0.329,591 0.33,592 1,593 2.501,594 119.193,595 -0.046,596 -0.196,597 0.037,598 -0.083,599 0.056,600 -0.019,601 0.12,602 0.04,603 -0.016,604 -0.106,605 0.115,606 -0.084,607 -0.099,608 0.003,609 -0.037,610 0.017,611 -0.058,612 0.002,613 -0.023,614 0.009,615 -0.029,616 -0.019,617 0.09,618 -0.029,619 -0.212,620 0.023,621 -0.173,622 -0.034,623 -0.14,624 -0.087,625 0.035,626 -0.044,627 -0.027,628 -0.07,629 -0.02,630 -0.061,631 -0.016,632 -0.009,633 -0.032,634 0.002,635 -0.183,636 -0.014,638 -0.029,639 0.012,640 -0.018,641 -0.003,642 -0.003,643 1.183,644 2.696,645 0.417,646 23.25,647 0.991,648 1.143,649 2.285,650 5.222,651 0.625,652 3.258,653 3.466,654 3.611,655 3.807,656 3.951,657 3.871,658 3.85,659 3.871,660 3.892,661 3.664,662 7.467,663 0.581,664 329.5,665 3.258,666 4.727,667 5.509,668 6.33,669 7.133,670 7.962,671 8.775,672 9.608,673 10.428,674 11.264,675 9.8,677 3,684 2,688 4,693 2,695 6,712 1,714 51,716 8,717 1,718 25,720 52,721 18,722 6,723 2,724 4,730 2,731 3,734 1,736 2,740 3,743 5,744 1,745 7,746 10,750 1,758 1,759 1,760 1,761 1,764 27,765 6,766 3,767 6,773 5,777 0.5,778 1,793 2,797 1,814 3,819 1,823 2,827 24,833 6,834 3,835 1,837 2,840 1,843 1,845 1,847 2,852 1,854 12.667,855 9.317,856 5.611,857 3.264,858 1.431,859 1.218,860 0.922,861 7.871,862 8.004,863 3.466,864 3.839,865 4.201,866 4.624,867 4.969,868 4.908,869 4.953,870 5.116,871 5.245,872 4.847,873 0.875,874 30,875 8.844,877 3.491,878 7.632,879 17.247,881 13.478,883 2.132,884 51.167,887 1,888 282.506,889 95.977,890 101.877,892 11,895 95.977,896 293.506,897 101.877,898 17.65,899 13.921,900 91.937,901 16.173,902 67.274,903 1.899,904 282.506,906 282.506,907 197.854,908 11,911 164.795,912 128.711,915 133.448,916 64.406,919 282.506,920 112.877,921 95.977,924 282.506,925 24.249,926 55.555,927 70.205,928 58.845,929 282.506,930 112.877,931 95.977,933 0.546,934 0.294,935 0.165,936 0.089,937 11,938 5,939 0.173,940 9,941 1,942 1.2,943 3.808,944 165.981,945 0.2,946 10,947 108.039,951 18.571,952 10.172,953 6.719,955 112.877,956 8.261,961 2.328,963 54.032,964 491.361,965 31,973 4.311,974 0.541,975 50.556,976 58.268,977 0.257,978 0.599,979 0.817,980 0.891,981 0.898,982 0.898,983 4.668,984 1.192,985 5.425,986 3.014,987 4.143,988 4.522,989 2.175,990 6.098,991 4.037,992 5.794,993 0.926,994 6.889,995 2.384,996 3.434,997 3.951,998 0.623,999 6.72,1000 3.272,1001 7.033,1002 0.688,1003 8.453,1004 1.708,1005 5.587,1006 6.437,1007 2.382,1008 9.78,1009 5.372,1010 8.301,1011 0.299,1012 10.079,1013 1.516,1014 5.707,1015 6.736,1016 1.178,1017 11.286,1018 5.429,1019 9.601,1020 -0.256,1021 11.748,1022 0.65,1023 7.291,1024 8.678,1025 2.752,1026 13.817,1027 6.974,1028 10.924,1029 -0.366,1030 13.448,1031 -0.606,1032 7.849,1033 9.436,1034 1.747,1035 15.708,1036 7.471,1037 12.266,1038 -0.618,1039 15.169,1040 -0.641,1041 9.156,1042 11.108,1043 3.211,1044 18.042,1045 8.745,1046 2.923,1047 -0.628,1048 16.908,1049 -1.384,1050 9.951,1051 12.112,1052 2.361,1053 20.108,1054 9.487,1055 2.574,1056 9.226,1057 18.66,1058 -1.6,1059 11.122,1060 13.641,1061 3.724,1062 22.368,1063 10.627,1064 2.303,1065 7.222,1066 20.422,1067 3.815,1068 12.045,1069 14.781,1070 3.009,1071 24.515,1072 11.501,1073 1.964,1074 6.678,1075 22.193,1076 3.165,1077 13.152,1078 16.231,1079 4.271,1080 26.748,1081 12.577,1082 1.701,1083 4.604,1084 23.971,1085 2.443,1086 14.141,1087 17.449,1088 3.678,1089 28.932,1090 13.523,1091 1.618,1092 4.371,1093 25.755,1094 2.077,1095 15.22,1096 18.853,1097 4.84,1098 31.156,1099 14.569,1100 1.417,1101 3.498,1102 27.545,1103 2.047,1104 16.244,1105 20.117,1106 4.356,1107 33.359,1108 15.553,1109 7263,1110 11334,1111 16.583,1112 31.858,1113 36.304,1114 38.003,1115 36.03,1116 35.221,1117 35.213,1118 42.211,1119 8.019,1120 89.739,1121 33.355,1122 5.19,1123 5.921,1124 6.014,1125 4.978,1126 4.923,1127 6.815,1128 2.663,1129 15.535,1130 4.805,1131 11.467,1132 1.452,1133 1.52,1134 1.441,1135 1.409,1136 1.409,1137 1.688,1138 0.321,1139 3.59,1140 1.334,1141 3.984,1142 4.011,1143 3.914,1144 3.896,1145 6.826,1146 3.896,1147 3.783,1148 3.859,1149 3.689,1150 3.582,1151 4.862,1152 3.592,1153 3.659,1154 3.733,1155 3.527,1156 3.489,1157 4.708,1158 3.488,1159 3.526,1160 3.594,1161 3.363,1162 3.384,1163 4.387,1164 3.369,1165 3.399,1166 3.483,1167 3.292,1168 3.155,1169 4.203,1170 3.184,1171 3.221,1172 3.313,1173 3.065,1174 3.012,1175 4.067,1176 3.012,1177 3.019,1178 3.099,1179 2.882,1180 2.79,1181 3.823,1182 2.806,1183 2.874,1184 3.009,1185 2.74,1186 2.694,1187 3.773,1188 2.695,1189 0.169,1190 0.157,1191 0.247,1192 0.155,1193 0.117,1194 4.228,1195 0.153,1196 3.921,1197 0.055,1198 6.183,1199 0.369,1200 3.882,1201 0.112,1202 2.923,1203 3.815,1204 1.374,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.717,1214 1.645,1215 1.942,1216 1.945,1217 1.211,1218 1.945,1219 1.643,1220 1.574,1221 1.897,1222 1.848,1223 1.075,1224 1.866,1225 1.537,1226 1.474,1227 1.781,1228 1.716,1229 0.996,1230 1.741,1231 1.322,1232 1.238,1233 1.552,1234 1.597,1235 0.75,1236 1.591,1237 1.19,1238 1.109,1239 1.425,1240 1.449,1241 0.546,1242 1.459,1243 0.966,1244 0.887,1245 1.417,1246 1.243,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.251,1252 1.239,1253 0.26,1254 1.253,1255 3.932,1257 5.165,1259 6.583,1261 8.1,1263 9.674,1265 3.954,1271 5.612,1272 9.161,1273 6.009,1275 0.393,1278 8.696,1279 1.901,1280 29.617,1281 74.243,1282 173.345,1283 236.274,1284 257.784,1285 259.784,1286 259.784,1287 43.049,1288 6.572,1289 81.47,1290 81.47,1291 12,1292 11.836,1293 3.17,1294 2.807,1295 49.006,1296 111,1297 80,1298 0.212,1299 189.049,1300 332.29,1301 453.04,1302 6293,1304 17.2,1305 0.717,1306 0.605,1307 17.2,1308 14.509,1309 11.686,1310 0.467,1311 0.344,1312 8.494,1313 11.229,1314 8.258,1315 6.925,1316 11.686,1317 8.608,1318 9.76,1319 0.315,1320 0.199,1321 9.76,1322 6.179,1323 7.125,1324 0.198,1325 0.104,1326 7.125,1327 3.758,1328 5.907,1329 0.134,1330 0.06,1331 5.907,1332 2.641,1333 4.532,1334 0.089,1335 0.036,1336 4.532,1337 1.82,1338 0.352,1339 73.102,1340 0.246,1341 24.447,1342 0.533,1343 112,1344 304.024,1345 124.006,1346 296.161,1347 400.25,1348 278,1349 123,1350 289.307,1351 134.202,1352 290.998,1353 414.14,1354 274,1355 7.3} {0 CHEMBL313189,1 1.332,2 8.043,3 3.706,4 13.732,5 95.519,6 6.563,7 0.462,8 3.937,9 4.064,10 3.425,11 3.497,12 4.873,13 3.446,14 4.524,15 4.716,16 3.79,17 3.918,18 5.359,19 3.851,20 4.821,21 5.028,22 3.903,23 4.135,24 5.622,25 4.033,26 4.962,27 5.214,28 3.898,29 4.167,30 5.706,31 4.042,32 4.934,33 5.185,34 3.823,35 4.137,36 5.692,37 4.002,38 4.825,39 5.077,40 3.544,41 4.001,42 5.567,43 3.831,44 4.695,45 4.99,46 3.228,47 3.806,48 5.34,49 3.591,50 4.454,51 4.762,52 3.027,53 3.544,54 5.096,55 3.333,56 0.101,57 0.665,58 11.191,59 4.648,60 8.821,61 6.522,62 0.168,63 1.135,64 20.878,65 7.645,66 14.155,67 10.962,68 0.233,69 1.455,70 28.269,71 10.723,72 22.529,73 15.138,74 0.317,75 1.599,76 32.89,77 12.254,78 27.188,79 17.575,80 0.297,81 1.537,82 31.956,83 12.167,84 29.326,85 17.19,86 0.259,87 1.351,88 28.631,89 11.109,90 27.598,91 15.638,92 0.172,93 1.203,94 24.89,95 9.595,96 20.071,97 14.195,98 0.117,99 0.936,100 19.479,101 7.546,102 15.697,103 11.249,104 8,105 37,106 0.229,107 0.514,108 0.714,109 0.799,110 0.846,111 0.863,112 3.19,113 0.979,114 -5.04,115 -4.94,116 -4.63,119 42.6,121 3,124 2,125 1,127 2,140 8,141 3,142 1,164 1,169 12,172 7,178 16,182 9,189 14,192 1,193 9,199 15,202 1,203 4,211 16,215 2,222 13,226 4,233 5,237 5,249 2,259 625,260 15.792,261 15.792,262 15.792,263 15.792,264 15.792,265 14.338,266 21.445,267 9.411,268 16.036,269 12.897,270 12.897,271 12.897,272 12.897,273 12.897,274 10.768,275 30.853,276 4.528,277 13.293,278 4.223,279 2.569,280 1.41,281 0.915,282 0.644,283 0.543,284 3.893,287 1,288 1,289 1,290 407,291 2.915,294 28.854,295 76.129,296 38.511,299 57.982,300 130.781,302 1.18,303 10.104,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 48,315 185,316 4.493,317 4.439,318 6.905,319 4.257,320 3.287,321 4.018,322 2.43,323 11.639,324 3.19,325 4.088,326 3.207,327 6.25,328 3.698,329 2.707,330 3.698,331 0.8,332 9.271,333 2.681,334 3.748,335 2.874,336 5.818,337 3.584,338 2.613,339 2.861,340 0.68,341 8.121,342 2.528,343 3.281,344 2.612,345 5.184,346 3.18,347 2.246,348 2.312,349 0.442,350 6.334,351 2.101,352 3.023,353 2.329,354 4.604,355 2.889,356 1.953,357 2.17,359 5.012,360 1.817,361 2.962,362 2.181,363 4.587,364 2.536,365 1.546,366 2.099,368 4.297,369 1.53,370 2.93,371 1.625,372 4.176,373 2.531,374 1.533,375 2.046,377 3.522,378 1.529,379 2.752,380 1.407,381 3.716,382 2.304,383 1.305,384 1.861,386 2.958,387 1.304,388 2.428,389 1.368,390 3.605,391 2.06,392 1.07,393 1.408,395 2.706,396 1.059,397 1.936,398 1.065,399 3.554,400 1.769,401 0.784,402 0.881,404 2.163,405 0.77,406 1.543,407 0.682,408 2.955,409 1.464,410 0.504,411 0.516,413 1.137,414 0.482,415 1.34,416 0.381,417 2.885,418 1.096,419 0.103,420 0.125,422 0.269,423 0.103,424 0.926,425 0.014,426 2.647,427 0.632,428 -0.345,429 -0.408,431 -0.893,432 -0.336,433 0.607,434 -0.381,435 2.157,436 0.211,437 -0.77,438 -0.831,440 -1.98,441 -0.748,442 0.603,443 -0.6,444 2,445 0.151,446 -0.844,447 -1,449 -2,450 -0.838,451 11.133,452 0.484,453 0.538,454 0.023,455 27.25,456 1.185,457 12.5,458 0.543,459 14.75,460 0.641,461 20.526,462 0.892,463 24.867,464 0.529,465 17.947,466 0.78,467 5.28,468 0.23,469 5.941,470 0.258,471 0.09,473 0.341,479 0.696,480 1.289,481 0.883,482 1.113,483 0.881,484 1.031,485 1.415,486 1.038,487 0.98,488 0.934,489 1.051,490 0.91,491 1.491,492 1.126,493 1.104,494 1.071,495 1.287,496 1.059,497 1.195,498 0.944,499 0.946,500 0.936,501 0.997,502 0.922,503 1.332,504 0.89,505 1.001,506 0.944,507 1.074,508 0.947,509 1.473,510 1.033,511 1.169,512 1.063,513 1.452,514 1.099,515 0.641,516 1.031,517 1.041,518 1.051,519 0.812,520 1.071,521 0.403,522 1.026,523 0.866,524 0.977,525 0.576,526 0.961,527 4,528 0.049,529 2.222,530 1.472,531 1.649,532 0.685,533 0.363,534 0.207,535 0.218,536 0.12,537 5145,538 9802,539 2.168,540 51.1,541 2,542 18,548 4,550 1.665,551 2.06,552 2.972,553 -0.858,555 1,559 62.588,560 1.332,561 2.985,562 4.145,563 4.639,564 4.911,565 5.012,566 2.285,567 3.621,568 4.489,569 3.133,570 792.718,571 7.773,572 8596.56,574 1,576 1,577 261.066,578 1.302,579 4.469,580 0.154,581 0.012,582 0.06,583 0.037,584 0.042,585 0.019,586 0.014,587 0.012,588 0.015,589 0.01,590 0.374,591 0.67,592 1,593 1.093,594 104.481,595 0.283,596 -0.109,597 0.099,598 -0.032,599 0.066,600 0.006,601 -0.093,602 0.091,603 0.036,604 0.064,605 -0.034,606 0.067,607 -0.13,608 -0.075,609 -0.097,610 -0.07,611 -0.151,612 -0.079,613 0.047,614 0.047,615 0.055,616 0.036,617 0.079,618 0.047,619 -0.044,620 0.087,622 0.035,623 0.085,624 0.024,625 -0.187,626 -0.087,627 -0.176,628 -0.075,629 -0.213,630 -0.123,631 -0.037,632 -0.082,633 -0.091,634 -0.089,635 -0.057,636 -0.094,637 0.077,638 -0.1,639 0.076,640 -0.017,641 0.114,642 0.021,643 1.04,644 2.886,645 0.783,646 17.675,647 0.984,648 1.123,649 3.812,650 14.531,651 0.656,652 3.296,653 3.638,654 3.951,655 4.304,656 4.615,657 4.812,658 5.017,659 5.182,660 5.303,661 5.333,662 4.954,663 0.607,664 308.46,665 3.296,666 4.844,667 5.714,668 6.616,669 7.515,670 8.429,671 9.341,672 10.26,673 11.178,674 12.101,675 4.3,678 1,681 1,688 8,693 4,695 12,706 1,714 47,716 12,717 2,718 26,720 50,721 20,722 12,723 4,724 8,730 4,731 11,740 4,743 5,745 12,746 8,761 1,764 24,765 3,767 3,773 2,777 0.25,778 1,792 1,793 2,794 1,797 1,798 2,815 1,819 1,823 2,827 23,833 4,835 1,837 2,838 2,847 2.1,851 1,854 11.167,855 8.9,856 4.972,857 2.914,858 2.507,859 1.326,860 0.992,861 3.937,862 10.204,863 3.497,864 4.043,865 4.58,866 5.14,867 5.691,868 5.928,869 6.346,870 6.753,871 7.12,872 7.412,873 0.667,874 40,875 8.539,877 3.631,878 7.362,879 17.116,881 14.693,883 1.862,884 42.833,885 0.001,887 1,888 282.506,889 114.626,890 8.863,892 11.219,895 114.626,896 293.725,897 8.863,898 16.793,899 9.709,900 75.81,901 11.219,902 21.176,904 282.506,906 282.506,907 123.488,908 11.219,911 235.422,912 47.084,913 11.219,915 12.834,916 110.655,919 282.506,920 20.082,921 114.626,924 282.506,925 22.023,926 101.466,928 11.219,929 282.506,930 20.082,931 114.626,933 0.579,934 0.331,935 0.193,936 0.118,937 20,938 8,939 0.06,940 3,941 3,942 1.333,943 3.457,944 199.557,945 0.333,946 18,947 102.042,951 14.888,952 6.083,953 2.805,955 20.082,956 17.507,961 5.456,964 417.214,965 32,975 46.251,976 52.773,977 0.24,978 0.537,979 0.746,980 0.835,981 0.884,982 0.902,983 4.754,984 1.305,985 5.7,986 3.522,987 4.317,988 4.727,989 2.665,990 6.547,991 4.261,992 5.923,993 1.07,994 7.27,995 2.958,996 3.892,997 4.369,998 1.494,999 7.506,1000 3.78,1001 7.211,1002 0.784,1003 8.945,1004 2.706,1005 5.927,1006 6.795,1007 4.123,1008 10.67,1009 5.815,1010 8.531,1011 0.504,1012 10.683,1013 2.163,1014 6.347,1015 7.271,1016 3.425,1017 12.503,1018 6.185,1019 9.888,1020 0.103,1021 12.465,1022 1.137,1023 7.845,1024 9.18,1025 5.801,1026 15.181,1027 7.678,1028 11.271,1029 -0.345,1030 14.277,1031 0.269,1032 8.665,1033 10.068,1034 5.424,1035 17.367,1036 8.456,1037 12.675,1038 -0.77,1039 16.111,1040 -0.893,1041 9.951,1042 11.734,1043 7.512,1044 19.885,1045 9.729,1046 3.287,1047 -0.844,1048 17.961,1049 -1.98,1050 10.962,1051 12.837,1052 7.37,1053 22.22,1054 10.702,1055 2.707,1056 11.639,1057 19.825,1058 -2,1059 12.169,1060 14.374,1061 9.233,1062 24.686,1063 11.888,1064 2.613,1065 9.271,1066 21.698,1067 4.018,1068 13.27,1069 15.594,1070 9.273,1071 27.084,1072 12.954,1073 2.246,1074 8.121,1075 23.58,1076 3.698,1077 14.451,1078 17.061,1079 10.961,1080 29.536,1081 14.11,1082 1.953,1083 6.334,1084 25.469,1085 2.861,1086 15.594,1087 18.347,1088 11.144,1089 31.962,1090 15.22,1091 1.546,1092 5.012,1093 27.363,1094 2.312,1095 16.771,1096 19.775,1097 12.694,1098 34.411,1099 16.367,1100 1.533,1101 4.297,1102 29.261,1103 2.17,1104 17.935,1105 21.099,1106 12.994,1107 36.851,1108 17.499,1109 4938,1110 6908,1111 17.8,1112 30.841,1113 39.51,1114 40.862,1115 40.168,1116 39.383,1117 39.304,1118 47.986,1119 8.704,1120 114.856,1121 38.183,1122 5.439,1123 6.439,1124 6.59,1125 5.302,1126 5.287,1127 7.018,1128 4.661,1129 19.122,1130 5.19,1131 8.772,1132 1.52,1133 1.572,1134 1.545,1135 1.515,1136 1.512,1137 1.846,1138 0.335,1139 4.418,1140 1.469,1141 4.075,1142 4.104,1143 4.019,1144 3.998,1145 4.869,1146 3.998,1147 3.796,1148 3.828,1149 3.729,1150 3.747,1151 4.649,1152 3.739,1153 3.754,1154 3.813,1155 3.635,1156 3.595,1157 4.547,1158 3.596,1159 3.548,1160 3.624,1161 3.408,1162 3.324,1163 4.302,1164 3.332,1165 3.178,1166 3.25,1167 3.03,1168 3.07,1169 3.838,1170 3.053,1171 3.146,1172 3.225,1173 2.956,1174 2.976,1175 3.707,1176 2.959,1177 2.874,1178 3.009,1179 2.734,1180 2.728,1181 3.66,1182 2.72,1183 2.859,1184 2.925,1185 2.6,1186 2.655,1187 3.541,1188 2.632,1189 0.173,1190 0.171,1191 0.266,1192 0.164,1193 0.126,1194 4.493,1195 0.155,1196 4.439,1197 0.093,1198 6.905,1199 0.448,1200 4.257,1201 0.123,1202 3.287,1203 4.018,1204 2.43,1205 11.639,1206 3.19,1207 1.961,1208 1.938,1209 2.073,1210 2.029,1211 1.347,1212 2.045,1213 1.88,1214 1.852,1215 1.994,1216 1.974,1217 1.234,1218 1.981,1219 1.7,1220 1.637,1221 1.932,1222 1.914,1223 1.137,1224 1.924,1225 1.452,1226 1.374,1227 1.732,1228 1.673,1229 0.911,1230 1.697,1231 1.241,1232 1.174,1233 1.516,1234 1.48,1235 0.716,1236 1.485,1237 1.198,1238 1.141,1239 1.457,1240 1.352,1241 0.621,1242 1.391,1243 0.934,1244 0.852,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.927,1250 0.804,1251 1.217,1252 1.208,1253 0.408,1254 1.221,1255 3.97,1257 5.303,1258 2.398,1259 6.828,1260 4.844,1261 8.444,1262 7.066,1263 10.115,1265 4.246,1271 4.198,1273 6.386,1275 0.628,1276 4.413,1280 28.552,1281 62.588,1282 140.311,1283 194.801,1284 218.046,1285 230.801,1286 235.556,1287 27.963,1288 7.697,1289 15.71,1290 15.71,1291 24,1292 12.609,1293 3.7,1294 2.807,1295 31.586,1296 69,1297 76,1298 0.239,1299 173.064,1300 298.27,1301 414.037,1302 22363,1304 15.811,1305 0.687,1306 0.605,1307 15.811,1308 13.905,1309 11.22,1310 0.432,1311 0.326,1312 8.395,1313 10.895,1314 8.123,1315 6.741,1316 11.22,1317 8.486,1318 10.289,1319 0.278,1320 0.187,1321 10.289,1322 6.901,1323 8.554,1324 0.168,1325 0.097,1326 8.554,1327 4.954,1328 7.579,1329 0.104,1330 0.052,1331 7.579,1332 3.773,1333 6.718,1334 0.067,1335 0.029,1336 6.718,1337 2.902,1338 0.356,1339 69.458,1340 0.237,1341 21.898,1342 0.715,1343 126,1344 277.026,1345 134.37,1346 271.429,1347 387.2,1348 258,1349 151,1350 300.579,1351 161.368,1352 304.801,1353 448.34,1354 287,1355 6} {0 CHEMBL313452,1 1.641,2 14.824,3 4.263,4 18.171,5 126.611,6 7.826,7 0.421,8 4.208,9 4.324,10 3.806,11 3.75,12 5.311,13 3.745,14 4.802,15 4.961,16 4.26,17 4.185,18 6.274,19 4.162,20 5.047,21 5.24,22 4.265,23 4.363,24 6.126,25 4.298,26 5.171,27 5.39,28 4.2,29 4.37,30 6.24,31 4.275,32 5.177,33 5.438,34 4.101,35 4.278,36 6.154,37 4.16,38 5.083,39 5.344,40 4.006,41 4.141,42 6.08,43 4.046,44 4.927,45 5.176,46 3.853,47 4.049,48 5.934,49 3.942,50 4.852,51 5.099,52 3.783,53 4,54 5.82,55 3.882,56 0.118,57 1.078,58 11.34,59 5.841,60 27.07,61 6.925,62 0.928,63 2.118,64 24.623,65 10.214,66 154.639,67 12.387,68 0.485,69 2.091,70 32.161,71 13.693,72 56.956,73 17.404,74 0.727,75 2.306,76 39.047,77 15.416,78 100.311,79 19.586,80 0.834,81 2.152,82 42.168,83 14.943,84 104.701,85 20.787,86 0.761,87 1.935,88 39.018,89 13.086,90 99.086,91 17.626,92 0.761,93 1.605,94 32.745,95 11.34,96 97.368,97 15.286,98 0.452,99 1.598,100 29.348,101 11.184,102 67.074,103 15.041,104 30,105 56,106 0.264,107 0.634,108 0.827,109 0.89,110 0.896,111 0.896,112 3.56,113 0.903,114 -4.66,115 -4.57,116 -4.3,119 43.3,121 3,125 4,127 1,131 1,134 1,135 1,140 6,141 6,149 1,150 1,156 1,161 1,162 1,163 1,169 15,172 7,173 1,174 1,176 4,178 18,180 1,182 5,186 5,189 14,191 2,192 1,193 6,197 5,199 11,201 2,203 6,208 2,211 7,213 2,215 6,218 1,222 5,225 1,226 5,228 1,229 1,231 1,233 6,235 1,237 2,242 1,244 10,248 1,249 1,251 1,252 1,256 10,259 2018,260 22.643,261 22.643,262 22.643,263 22.643,264 22.643,265 20.486,266 24.389,267 12.925,268 23.173,269 18.749,270 18.749,271 18.749,272 18.749,273 18.749,274 15.336,275 25.843,276 6.103,277 19.67,278 4.266,279 1.973,280 0.771,281 0.379,282 0.346,283 0.346,284 4.266,288 1,289 1,290 1107,291 4,294 79.755,295 390.522,298 147.186,299 162.232,302 2.266,303 48.834,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 76,315 504,316 4.639,317 4.461,318 7.122,319 4.242,320 3.343,321 4.552,322 3.825,323 11.734,324 3.15,325 4.384,326 3.522,327 6.7,328 4.065,329 3.113,330 4.006,331 1.151,332 10.843,333 3.037,334 4.359,335 3.368,336 6.529,337 4.054,338 3.077,339 3.66,340 0.98,341 10.291,342 2.82,343 3.933,344 3.224,345 5.903,346 3.646,347 2.654,348 3.265,349 0.916,350 8.14,351 2.633,352 3.869,353 2.891,354 5.757,355 3.535,356 2.578,357 3.179,358 0.172,359 7.824,360 2.448,361 3.419,362 2.516,363 5.332,364 3.213,365 2.261,366 2.497,368 6.853,369 2.137,370 3.167,371 2.439,372 5.134,373 2.951,374 1.984,375 2.292,377 5.999,378 1.907,379 3.042,380 1.98,381 4.703,382 2.571,383 1.639,384 2.259,386 4.883,387 1.515,388 2.987,389 1.94,390 4.456,391 2.531,392 1.57,393 2.09,395 4.232,396 1.488,397 2.881,398 1.792,399 4.189,400 2.502,401 1.528,402 1.963,404 3.822,405 1.474,406 2.615,407 1.572,408 4.026,409 2.184,410 1.183,411 1.625,413 3.176,414 1.17,415 2.583,416 1.417,417 3.783,418 2.121,419 1.161,420 1.56,422 2.831,423 1.103,424 2.217,425 1.267,426 3.446,427 1.984,428 1.008,429 1.182,431 2.387,432 0.983,433 2.096,434 1.151,435 3.414,436 1.978,437 1,438 1.043,440 2.275,441 0.971,442 2,443 0.781,444 3.234,445 1.593,446 0.628,447 0.82,449 1.506,450 0.603,451 15.724,452 0.462,453 1.052,454 0.031,455 39,456 1.147,457 17,458 0.5,459 22,460 0.647,461 32.787,462 0.964,463 37.676,464 0.628,465 32.585,466 0.958,467 7.804,468 0.23,469 8.488,470 0.25,471 0.101,472 0.032,473 0.343,476 3,479 0.617,480 0.976,481 0.707,482 1.022,483 0.587,484 0.919,485 0.567,486 0.743,487 0.792,488 0.926,489 0.345,490 0.927,491 0.658,492 0.873,493 0.896,494 1.077,495 0.484,496 1.072,497 0.815,498 0.991,499 1.067,500 1.173,501 0.766,502 1.199,503 0.573,504 0.794,505 0.877,506 1.033,507 0.548,508 1.051,509 0.813,510 0.851,511 0.928,512 0.954,513 0.687,514 0.969,515 0.723,516 0.732,517 0.981,518 0.921,519 0.657,520 1.004,521 0.617,522 0.912,523 0.935,524 1.119,525 0.571,526 1.131,527 8,528 0.231,529 4.889,530 2.257,531 2.027,532 1.295,533 0.78,534 0.518,535 0.298,536 0.272,537 19361,538 60624,539 2.102,540 43.3,542 16,543 1,545 3,547 4,548 2,550 1.753,551 1.952,552 3.794,553 0.811,555 1,559 98.481,560 1.641,561 3.934,562 5.136,563 5.528,564 5.561,565 5.561,566 3.198,567 4.631,568 5.059,569 4.032,570 2261.92,571 8.83,572 36228.5,577 354.413,578 1.583,579 5.007,580 0.211,581 0.008,582 0.087,583 0.04,584 0.041,585 0.029,586 0.02,587 0.015,588 0.009,589 0.009,590 0.468,591 0.17,592 0.75,593 0.797,594 185.882,595 -0.046,596 -0.01,597 0.029,598 0.036,599 -0.076,600 0.056,601 0.277,602 0.269,603 0.066,604 0.095,605 0.39,606 0.036,607 -0.037,608 -0.073,609 -0.042,610 -0.066,611 0.045,612 -0.059,613 -0.052,614 -0.113,615 -0.147,616 -0.171,617 -0.04,618 -0.187,619 0.088,620 -0.033,621 0.079,622 -0.069,623 0.045,624 -0.021,625 -0.038,626 -0.077,627 0.058,628 -0.014,629 -0.008,630 0.036,631 0.003,632 0.008,633 -0.024,634 0.029,635 -0.005,636 0.003,637 0.006,638 -0.155,639 -0.005,640 -0.138,641 0.022,642 -0.094,643 5.6,644 5.001,645 0.735,646 39.689,647 1.016,648 1.139,649 3.426,650 11.737,651 0.661,652 3.664,653 4.043,654 4.317,655 4.575,656 4.836,657 4.97,658 5.147,659 5.226,660 5.288,661 5.342,662 8.678,663 0.642,664 469.55,665 3.664,666 5.242,667 6.107,668 7.006,669 7.888,670 8.787,671 9.676,672 10.576,673 11.468,674 12.369,675 5,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,714 60,716 18,717 2,718 38,720 64,721 26,722 14,723 6,724 6,725 3,730 5,731 7,736 1,740 3,742 1,743 4,745 17,746 9,750 2,755 1,757 1,759 2,761 1,762 3,764 26,765 7,766 3,767 8,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 3,827 34,828 1,833 7,835 1,837 1,838 1,839 1,846 3,847 3.3,850 1,851 1,854 17.417,855 10.545,856 7.167,857 3.664,858 3.609,859 1.417,860 1.029,861 6.176,862 12.272,863 3.892,864 4.508,865 5.099,866 5.68,867 6.214,868 6.576,869 6.98,870 7.244,871 7.311,872 7.497,873 0.9,874 57,875 13.043,877 6.133,878 8.061,879 23.917,881 20.587,883 2.561,884 87.083,888 270.735,889 130.189,890 52.807,892 36.145,893 44.88,895 130.189,896 306.88,897 97.687,899 51.41,900 75.381,901 40.849,902 86.477,903 13.915,904 258.964,905 7.76,906 270.735,907 182.996,908 81.025,911 200.109,912 140.652,913 11,915 79.08,916 94.44,917 9.476,919 315.616,920 88.952,921 130.189,924 278.495,925 47.048,926 78.505,927 16.786,928 113.922,929 270.735,930 133.832,931 130.189,933 0.6,934 0.344,935 0.176,936 0.098,937 29,938 13,939 0.078,940 5,941 2,942 1.16,943 4.529,944 321.754,945 0.16,946 25,947 166.219,951 23.01,952 9.125,953 4.76,954 1.316,955 117.047,956 11.263,958 2.998,961 3.107,963 49.683,964 534.756,965 48,970 11.471,972 2.165,974 0.734,975 60.985,976 68.33,977 0.278,978 0.666,979 0.869,980 0.936,981 0.941,982 0.941,983 5.176,984 1.639,985 6.138,986 5.999,987 4.727,988 5.196,989 3.293,990 7.002,991 4.643,992 6.404,993 1.57,994 7.739,995 4.883,996 4.511,997 5.13,998 3.911,999 8.145,1000 4.317,1001 7.738,1002 1.528,1003 9.448,1004 4.232,1005 6.418,1006 7.414,1007 5.448,1008 11.174,1009 6.245,1010 9.106,1011 1.183,1012 11.22,1013 3.822,1014 6.995,1015 8.168,1016 6.69,1017 13.109,1018 6.714,1019 10.507,1020 1.161,1021 13.032,1022 3.176,1023 8.424,1024 9.971,1025 8.06,1026 15.714,1027 8.143,1028 11.931,1029 1.008,1030 14.872,1031 2.831,1032 9.335,1033 11.103,1034 9.389,1035 17.945,1036 8.963,1037 13.372,1038 1,1039 16.732,1040 2.387,1041 10.591,1042 12.716,1043 10.734,1044 20.422,1045 10.197,1046 3.343,1047 0.628,1048 18.606,1049 2.275,1050 11.648,1051 14.031,1052 12.074,1053 22.769,1054 11.177,1055 3.113,1056 11.734,1057 20.492,1058 1.506,1059 12.842,1060 15.567,1061 13.417,1062 25.209,1063 12.334,1064 3.077,1065 10.843,1066 22.388,1067 4.552,1068 13.962,1069 16.973,1070 14.758,1071 27.604,1072 13.388,1073 2.654,1074 10.291,1075 24.291,1076 4.006,1077 15.138,1078 18.481,1079 16.1,1080 30.034,1081 14.517,1082 2.578,1083 8.14,1084 26.2,1085 3.66,1086 16.287,1087 19.933,1088 17.441,1089 32.45,1090 15.605,1091 2.261,1092 7.824,1093 28.114,1094 3.265,1095 17.459,1096 21.432,1097 18.783,1098 34.882,1099 16.726,1100 1.984,1101 6.853,1102 30.033,1103 3.179,1104 18.623,1105 22.909,1106 20.124,1107 37.309,1108 17.832,1109 18069,1110 32255,1111 25.255,1112 39.637,1113 59.277,1114 58.904,1115 59.422,1116 58.679,1117 58.428,1118 73.142,1119 14.089,1120 176.015,1121 55.82,1122 5.604,1123 6.461,1124 6.658,1125 5.327,1126 5.343,1127 7.552,1128 5.335,1129 18.994,1130 5.15,1131 18.463,1132 1.56,1133 1.55,1134 1.564,1135 1.544,1136 1.538,1137 1.925,1138 0.371,1139 4.632,1140 1.469,1141 4.153,1142 4.184,1143 4.116,1144 4.073,1145 8.513,1146 4.08,1147 4.014,1148 4.037,1149 3.958,1150 3.943,1151 7.999,1152 3.943,1153 3.821,1154 3.877,1155 3.733,1156 3.693,1157 7.999,1158 3.694,1159 3.597,1160 3.635,1161 3.551,1162 3.437,1163 7.437,1164 3.446,1165 3.532,1166 3.577,1167 3.475,1168 3.328,1169 4.961,1170 3.351,1171 3.368,1172 3.438,1173 3.221,1174 3.211,1175 4.903,1176 3.201,1177 3.224,1178 3.288,1179 3.099,1180 2.99,1181 4.747,1182 3.009,1183 3.112,1184 3.177,1185 3.045,1186 2.88,1187 4.434,1188 2.891,1189 0.122,1190 0.117,1191 0.187,1192 0.112,1193 0.088,1194 4.639,1195 0.12,1196 4.461,1197 0.101,1198 7.122,1199 0.309,1200 4.242,1201 0.083,1202 3.343,1203 4.552,1204 3.825,1205 11.734,1206 3.15,1207 1.988,1208 1.967,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.965,1214 1.946,1215 2.053,1216 2.047,1217 1.304,1218 2.048,1219 1.827,1220 1.781,1221 1.972,1222 1.984,1223 1.159,1224 1.983,1225 1.564,1226 1.519,1227 1.759,1228 1.752,1229 1.045,1230 1.75,1231 1.44,1232 1.386,1233 1.664,1234 1.667,1235 0.86,1236 1.66,1237 1.345,1238 1.275,1239 1.573,1240 1.561,1241 0.708,1242 1.576,1243 1.168,1244 1.127,1245 1.43,1246 1.46,1247 0.675,1248 1.426,1249 1.127,1250 1.075,1251 1.36,1252 1.433,1253 0.458,1254 1.374,1255 4.344,1257 5.707,1258 2.398,1259 7.259,1260 4.727,1261 8.894,1262 6.843,1263 10.571,1267 39.002,1269 5.409,1271 5.603,1273 6.015,1275 -0.007,1276 2.357,1277 -4.35,1280 38.492,1281 98.481,1282 236.036,1283 308.149,1284 331.659,1285 333.659,1286 333.659,1287 70.912,1288 8.663,1289 71.35,1290 71.35,1291 29,1292 12.892,1293 4.248,1294 3.459,1295 50.485,1296 182,1297 154,1298 0.136,1299 228.828,1300 408.89,1301 550.1,1302 85724,1303 5,1304 23.872,1305 0.702,1306 0.548,1307 21.372,1308 18.621,1309 16.292,1310 0.429,1311 0.301,1312 11.252,1313 15.58,1314 11.094,1315 9.024,1316 15.081,1317 11.437,1318 15.831,1319 0.283,1320 0.159,1321 13.874,1322 8.916,1323 12.909,1324 0.174,1325 0.092,1326 11.947,1327 6.821,1328 10.627,1329 0.111,1330 0.052,1331 10.075,1332 4.956,1333 8.846,1334 0.071,1335 0.029,1336 8.384,1337 3.606,1338 0.221,1339 102.842,1340 0.199,1341 32.02,1342 0.351,1343 188,1344 683.095,1345 215.604,1346 578.192,1347 762.6,1348 538,1349 224,1350 535.111,1351 245.121,1352 524.124,1353 792.88,1354 494,1355 6.914} {0 CHEMBL313490,1 1.493,2 11.048,3 2.176,4 4.733,5 83.719,6 6.937,7 0.522,8 3.808,9 3.943,10 3.322,11 3.305,12 4.826,13 3.282,14 4.353,15 4.545,16 3.607,17 3.666,18 5.323,19 3.609,20 4.619,21 4.869,22 3.575,23 3.749,24 5.466,25 3.648,26 4.551,27 4.815,28 3.326,29 3.637,30 5.327,31 3.503,32 4.47,33 4.752,34 3.176,35 3.55,36 5.212,37 3.387,38 4.378,39 4.668,40 3.066,41 3.431,42 5.1,43 3.257,44 4.256,45 4.557,46 2.972,47 3.29,48 4.988,49 3.14,50 4.08,51 4.353,52 2.966,53 3.202,54 4.913,55 3.067,56 0.032,57 0.624,58 9.281,59 3.518,60 7.009,61 5.055,62 0.203,63 0.964,64 17.179,65 5.89,66 19.599,67 8.475,68 0.335,69 1.091,70 23.749,71 7.469,72 28.29,73 11.118,74 0.27,75 1,76 22.274,77 6.799,78 24.271,79 10.36,80 0.266,81 0.916,82 20.56,83 6.698,84 23.412,85 10.131,86 0.211,87 0.818,88 18.726,89 6.136,90 19.568,91 9.497,92 0.184,93 0.73,94 16.734,95 4.905,96 18.358,97 7.874,98 0.217,99 0.632,100 13.746,101 4.377,102 18.125,103 6.818,105 29,106 0.266,107 0.606,108 0.784,109 0.876,110 0.885,111 0.885,112 3.101,113 0.962,114 -3.18,115 -3.17,116 -3.05,119 39,121 2,125 3,127 1,140 5,141 1,142 1,143 2,148 1,169 6,171 1,172 5,174 2,178 6,182 3,184 1,185 1,186 1,189 5,193 1,197 2,199 3,206 2,208 2,211 1,218 1,220 3,231 3,236 2,237 2,242 2,249 2,254 2,259 568,260 14.759,261 14.759,262 14.759,263 14.759,264 14.759,265 13.256,266 19.04,267 9.298,268 15.145,269 11.421,270 11.421,271 11.421,272 11.421,273 11.421,274 9.278,275 26.877,276 4.49,277 12.063,278 3.864,279 1.953,280 0.954,281 0.439,282 0.39,283 0.39,284 3.794,287 1,288 1,289 1,290 507,291 2.646,295 188.188,299 97.025,302 1.669,303 13.189,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45,315 232,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 0.86,323 9.226,324 2.805,325 3.896,326 2.663,327 5.34,328 3.43,329 2.522,330 3.444,331 0.4,332 6.965,333 2.291,334 3.388,335 2.552,336 5.257,337 3.257,338 2.302,339 2.443,340 0.4,341 6.678,342 2.187,343 2.957,344 1.979,345 4.415,346 2.637,347 1.689,348 2.118,350 4.371,351 1.602,352 2.927,353 1.863,354 3.776,355 2.589,356 1.618,357 2.076,359 3.468,360 1.563,361 2.856,362 1.568,363 3.624,364 2.421,365 1.453,366 1.983,368 3.061,369 1.402,370 2.583,371 1.454,372 3.541,373 2.342,374 1.372,375 1.588,377 2.926,378 1.325,379 2.5,380 1.038,381 3.247,382 1.917,383 1,384 1.5,386 2.136,387 0.916,388 1.957,389 1,390 3.195,391 1.794,392 0.837,393 0.911,395 1.839,396 0.799,397 1.81,398 0.802,399 3.051,400 1.587,401 0.645,402 0.737,404 1.467,405 0.605,406 1.156,407 0.272,408 2.569,409 0.958,410 0.028,411 0.031,413 0.066,414 0.026,415 0.812,416 -0.203,417 2.246,418 0.52,419 -0.424,420 -0.483,422 -0.973,423 -0.397,424 0.689,425 -0.321,426 2,427 0.352,428 -0.618,429 -0.729,431 -1.584,432 -0.596,433 0.533,434 -0.54,435 1.937,436 0.168,437 -0.758,438 -0.9,440 -1.65,441 -0.698,442 0.5,443 -0.975,444 1.592,445 -0.049,446 -1,447 -1.359,449 -2.347,450 -0.946,451 9.933,452 0.473,453 0.256,454 0.012,455 27,456 1.286,457 13,458 0.619,459 14,460 0.667,461 14.748,462 0.702,463 23.067,464 0.563,465 15.671,466 0.746,467 5.317,468 0.253,469 5.099,470 0.243,473 0.201,479 0.968,480 1.446,481 0.859,482 1.178,483 0.851,484 1.026,485 1.153,486 1.085,487 1.056,488 1.132,489 0.988,490 1.088,491 1.319,492 0.938,493 1.014,494 0.943,495 1.094,496 0.949,497 1.412,498 1.004,499 1.171,500 1.018,501 1.283,502 1.061,503 0.971,504 0.869,505 1.071,506 0.993,507 0.986,508 1.041,509 0.727,510 1.055,511 0.953,512 1.051,513 0.76,514 1.04,515 0.982,516 0.909,517 0.956,518 0.862,519 1.013,520 0.888,521 0.64,522 0.939,523 0.927,524 0.963,525 0.793,526 0.974,527 2.5,528 0.07,529 1.333,530 0.5,531 0.667,532 0.208,533 0.1,534 0.13,535 0.074,536 0.046,537 5499,538 13015,539 2.161,540 48.8,541 2,542 12,544 2,545 2,547 2,550 1.62,551 2.136,552 3.444,553 0.331,554 1,555 1,557 1,559 61.221,560 1.493,561 3.405,562 4.403,563 4.919,564 4.967,565 4.967,566 2.892,567 4.107,568 4.368,569 3.591,570 754.089,571 7.42,572 8651.21,573 1,574 1,576 1,577 219.66,578 0.702,579 4.371,580 0.109,581 0.005,582 0.046,583 0.019,584 0.033,585 0.012,586 0.007,587 0.009,588 0.005,589 0.003,590 0.249,591 0.67,592 1,594 98.551,595 -0.043,596 -0.203,597 0.06,598 -0.075,599 0.034,600 -0.003,601 0.02,602 0.049,603 -0.088,604 -0.12,605 0.06,606 -0.119,607 -0.028,608 0.024,609 -0.009,610 0.021,611 0.005,612 0.008,613 -0.217,614 -0.053,615 -0.173,616 -0.069,617 -0.23,618 -0.109,619 -0.03,620 0.058,621 -0.092,622 -0.035,623 -0.077,624 -0.07,625 0.095,626 -0.165,627 0.017,628 -0.083,629 0.067,630 -0.053,631 -0.083,632 0.007,633 0.035,634 0.057,635 -0.099,636 0.065,637 0.251,638 0.016,639 0.048,640 -0.003,641 0.146,642 -0.002,643 1.076,644 2.489,645 0.762,646 17.959,647 0.995,648 1.135,649 1.95,650 3.802,651 0.648,652 3.178,653 3.401,654 3.611,655 3.807,656 4.007,657 3.871,658 3.892,659 3.932,660 3.951,661 3.761,662 6.56,663 0.61,664 284.4,665 3.178,666 4.654,667 5.46,668 6.282,669 7.102,670 7.932,671 8.759,672 9.592,673 10.422,674 11.258,675 9.8,677 1,680 1,685 2,688 7,689 2,693 3,695 12,707 1,712 1,714 41,716 12,717 1,718 23,720 43,721 16,722 10,723 2,724 4,730 3,731 4,740 3,743 3,745 10,746 6,760 1,761 1,764 20,765 5,766 2,767 5,773 4,777 0.667,778 1,787 1,793 3,797 1,814 1,819 2,827 21,833 5,834 2,835 1,837 1,847 2.4,852 1,854 9.833,855 6.983,856 4.778,857 2.511,858 2.045,859 1.307,860 0.979,861 4.9,862 8.704,863 3.401,864 3.871,865 4.337,866 4.792,867 5.246,868 5.004,869 5.119,870 5.269,871 5.388,872 5.101,873 1,874 27,875 7.746,877 3.165,878 7.516,879 15.176,881 12.202,883 2.016,884 42.333,885 0.001,888 211.88,889 87.19,890 69.593,892 11,895 87.19,896 222.88,897 69.593,899 11.386,900 65.392,901 75.124,902 37.524,903 1.899,904 188.338,906 211.88,907 156.783,908 11,911 188.338,912 34.542,915 49.391,916 55.81,917 51.582,919 211.88,920 80.592,921 87.19,924 211.88,925 21.714,926 65.476,927 36.022,928 44.571,929 211.88,930 80.592,931 87.19,933 0.553,934 0.312,935 0.17,936 0.093,937 13,938 4,939 0.14,940 6,941 1,942 1.125,943 3.649,944 146.352,945 0.125,946 16,947 88.239,951 14.146,952 7.274,953 4.081,955 80.592,956 13.558,957 8.233,961 3.019,963 36.022,964 379.663,965 29,975 40.803,976 46.524,977 0.279,978 0.635,979 0.822,980 0.918,981 0.927,982 0.927,983 4.575,984 1,985 5.361,986 2.926,987 4.078,988 4.554,989 1.138,990 6.038,991 3.971,992 5.689,993 0.837,994 6.821,995 2.136,996 3.219,997 3.861,999 6.629,1000 3.043,1001 6.92,1002 0.645,1003 8.382,1004 1.839,1005 5.525,1006 6.557,1007 0.787,1008 9.722,1009 5.31,1010 8.186,1011 0.028,1012 10.009,1013 1.467,1014 5.565,1015 6.75,1017 11.237,1018 5.275,1019 9.488,1020 -0.424,1021 11.681,1022 0.066,1023 7.238,1024 8.858,1025 0.602,1026 13.771,1027 6.92,1028 10.817,1029 -0.618,1030 13.385,1031 -0.973,1032 7.751,1033 9.509,1035 15.673,1036 7.37,1037 12.166,1038 -0.758,1039 15.111,1040 -1.584,1041 9.109,1042 11.309,1043 0.471,1044 18.008,1045 8.699,1046 2.923,1047 -1,1048 16.855,1049 -1.65,1050 9.88,1051 12.217,1053 20.081,1054 9.418,1055 2.522,1056 9.226,1057 18.612,1058 -2.347,1059 11.08,1060 13.84,1061 0.367,1062 22.343,1063 10.588,1064 2.302,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.901,1071 24.495,1072 11.453,1073 1.689,1074 6.678,1075 22.153,1076 3.444,1077 13.113,1078 16.414,1079 0.283,1080 26.73,1081 12.545,1082 1.618,1083 4.371,1084 23.935,1085 2.443,1086 14.096,1087 17.571,1089 28.918,1090 13.487,1091 1.453,1092 3.468,1093 25.722,1094 2.118,1095 15.184,1096 19.017,1097 0.217,1098 31.143,1099 14.543,1100 1.372,1101 3.061,1102 27.514,1103 2.076,1104 16.206,1105 20.235,1107 33.348,1108 15.527,1109 5184,1110 8072,1111 16.178,1112 26.569,1113 32.986,1114 33.066,1115 32.914,1116 32.777,1117 32.78,1118 41.295,1119 3.32,1120 84.404,1121 31.041,1122 5.178,1123 5.256,1124 5.985,1125 4.978,1126 4.923,1127 6.815,1128 1.72,1129 15.535,1130 4.805,1132 1.434,1133 1.438,1134 1.431,1135 1.425,1136 1.425,1137 1.795,1138 0.144,1139 3.67,1140 1.35,1141 3.983,1142 4.011,1143 3.915,1144 3.896,1145 5.019,1146 3.896,1147 3.84,1148 3.904,1149 3.785,1150 3.651,1151 4.859,1152 3.676,1153 3.647,1154 3.717,1155 3.519,1156 3.486,1157 4.391,1158 3.484,1159 3.464,1160 3.533,1161 3.309,1162 3.3,1163 4.217,1164 3.292,1165 3.17,1166 3.26,1167 2.999,1168 2.981,1169 3.962,1170 2.973,1171 2.935,1172 3.003,1173 2.809,1174 2.737,1175 3.939,1176 2.743,1177 2.8,1178 2.873,1179 2.653,1180 2.635,1181 3.818,1182 2.636,1183 2.679,1184 2.776,1185 2.56,1186 2.492,1187 3.502,1188 2.478,1189 0.184,1190 0.142,1191 0.269,1192 0.169,1193 0.127,1194 4.228,1195 0.166,1196 3.256,1197 0.037,1198 6.183,1199 0.401,1200 3.882,1201 0.122,1202 2.923,1203 3.815,1204 0.86,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.347,1212 2.068,1213 1.755,1214 1.696,1215 1.9,1216 1.972,1217 1.102,1218 1.952,1219 1.627,1220 1.565,1221 1.824,1222 1.824,1223 0.97,1224 1.831,1225 1.465,1226 1.394,1227 1.723,1228 1.655,1229 0.769,1230 1.683,1231 1.164,1232 1.084,1233 1.472,1234 1.409,1235 0.707,1236 1.435,1237 0.892,1238 0.828,1239 1.169,1240 1.152,1241 0.289,1242 1.161,1243 0.794,1244 0.719,1245 1.091,1246 1.016,1247 0.183,1248 1.048,1249 0.668,1250 0.596,1251 0.988,1252 0.912,1253 0.146,1254 0.921,1255 3.85,1257 5.094,1259 6.544,1261 8.089,1263 9.683,1271 4.691,1272 6.586,1273 5.989,1275 0.257,1280 25.015,1281 61.221,1282 139.59,1283 180.54,1284 201.66,1285 203.66,1286 203.66,1287 24.333,1288 6.659,1289 59.07,1290 59.07,1291 18,1292 11.828,1293 3.7,1294 2.807,1295 32.64,1296 84,1297 70,1298 0.186,1299 155.677,1300 263.43,1301 371.611,1302 7272,1304 14.33,1305 0.682,1306 0.569,1307 14.33,1308 11.957,1309 10.416,1310 0.453,1311 0.321,1312 7.272,1313 10.013,1314 7.165,1315 5.928,1316 10.416,1317 7.378,1318 8.626,1319 0.297,1320 0.176,1321 8.626,1322 5.09,1323 7.098,1324 0.197,1325 0.098,1326 7.098,1327 3.525,1328 5.751,1329 0.131,1330 0.055,1331 5.751,1332 2.44,1333 4.713,1334 0.087,1335 0.032,1336 4.713,1337 1.73,1338 0.305,1339 65.174,1340 0.249,1341 21.698,1342 0.471,1343 104,1344 281.691,1345 114.924,1346 271.255,1347 376.61,1348 258,1349 117,1350 279.11,1351 127.897,1352 279.413,1353 404.78,1354 265,1355 7.5} {0 CHEMBL313631,1 1.39,2 5.769,3 0.732,4 0.536,5 52.207,6 6.741,7 0.429,8 3.345,9 3.488,10 2.848,11 2.852,12 4.354,13 2.817,14 3.885,15 4.112,16 3.112,17 3.198,18 4.791,19 3.137,20 3.998,21 4.24,22 2.937,23 3.245,24 4.846,25 3.117,26 3.996,27 4.279,28 2.688,29 3.106,30 4.746,31 2.931,32 3.874,33 4.204,34 2.677,35 2.918,36 4.617,37 2.77,38 3.513,39 3.734,40 2.469,41 2.765,42 4.415,43 2.629,44 3.574,45 3.922,46 1.762,47 2.483,48 4.248,49 2.241,50 2.811,51 3.148,52 0.637,53 1.762,54 3.296,55 1.416,56 0.02,57 0.405,58 5.928,59 2.149,60 4.603,61 3.28,62 0.135,63 0.619,64 10.973,65 3.212,66 10.01,67 5.173,68 0.109,69 0.643,70 12.259,71 3.989,72 12.291,73 6.258,74 0.101,75 0.579,76 12.426,77 4.064,78 12.412,79 6.418,80 0.153,81 0.484,82 11.306,83 3.578,84 13.442,85 5.627,86 0.041,87 0.396,88 7.334,89 2.541,90 7.643,91 3.945,92 0.11,93 0.319,94 8.458,95 2.36,96 11.878,97 3.914,98 0.021,99 0.131,100 3.687,101 1.437,102 3.711,103 2.16,104 2,105 18,106 0.281,107 0.634,108 0.834,109 0.865,110 0.865,111 0.865,112 2.667,113 0.963,114 -2.39,115 -2.42,116 -2.37,119 38.5,121 1,124 1,125 2,140 2,141 1,143 2,156 1,169 3,171 1,172 4,178 2,182 4,189 1,193 2,202 2,203 2,259 135,260 8.914,261 8.914,262 8.914,263 8.914,264 8.914,265 7.903,266 10.227,267 5.512,268 9.154,269 6.927,270 6.927,271 6.927,272 6.927,273 6.927,274 5.48,275 12.846,276 2.642,277 7.298,278 3.311,279 1.559,280 0.567,281 0.414,282 0.414,283 0.414,284 3.309,288 1,289 1,290 158,291 1.581,294 33.762,295 39.457,302 0.899,303 5.754,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 27.5,315 75,316 4.117,317 3.391,318 6.074,319 3.802,320 2.864,321 3.522,322 1.545,323 8.786,324 2.697,325 3.795,326 2.634,327 5.295,328 3.389,329 2.419,330 3.183,331 0.63,332 6.769,333 2.334,334 2.906,335 1.839,336 4.078,337 2.486,338 1.529,339 2.063,340 0.357,341 3.574,342 1.462,343 2.533,344 1.553,345 3.564,346 2.132,347 1.202,348 1.5,350 2.885,351 1.117,352 2.5,353 1.313,354 3.403,355 2.036,356 1.091,357 1.459,359 2.364,360 1.028,361 2.119,362 1,363 3.247,364 1.956,365 1,366 1.112,368 2.136,369 0.953,370 1.195,371 0.308,372 2.705,373 0.892,374 -0.074,375 -0.087,377 -0.185,378 -0.071,379 0.556,380 -0.333,381 1.64,382 0.277,383 -0.661,384 -0.725,386 -1.425,387 -0.616,388 0.5,389 -0.766,390 1.568,391 -0.025,392 -1,393 -1.342,395 -2.347,396 -0.972,397 0.139,398 -1,399 1.555,400 -0.162,401 -1.102,402 -1.5,404 -2.679,405 -1.038,406 -0.355,407 -1.144,408 1.275,409 -0.642,410 -1.582,411 -1.699,412 -0.162,413 -3.963,414 -1.464,415 -0.5,416 -1.379,417 0.918,418 -0.809,419 -1.725,420 -2.061,421 -0.4,422 -4.789,423 -1.595,424 -0.615,425 -1.555,426 0.481,427 -0.996,428 -1.96,429 -2.424,430 -0.827,431 -5.087,432 -1.893,433 -0.889,434 -2,435 0.198,436 -1.036,437 -2,438 -3,439 -1.145,440 -6.039,441 -1.942,451 6.2,452 0.477,453 0.226,454 0.017,455 16.25,456 1.25,457 7.5,458 0.577,459 8.75,460 0.673,461 7.713,462 0.593,463 14.2,464 0.546,465 8.471,466 0.652,467 3.392,468 0.261,469 2.968,470 0.228,471 0.081,473 0.226,479 0.877,480 1.649,481 0.859,482 1.274,483 0.755,484 1.098,485 1.42,486 0.964,487 0.998,488 0.828,489 1.1,490 0.858,491 1.259,492 1.118,493 1.225,494 1.155,495 1.195,496 1.181,497 0.967,498 1.114,499 1.101,500 1.156,501 1.011,502 1.146,503 0.604,504 0.529,505 0.596,506 0.557,507 0.519,508 0.573,509 0.946,510 1.571,511 1.272,512 1.55,513 1.199,514 1.465,515 1.362,516 0.53,517 1.099,518 0.7,519 1.567,520 0.841,521 0.211,522 0.98,523 1.031,524 1.3,525 0.672,526 1.268,527 2,529 1.111,530 0.632,531 0.346,532 0.167,533 0.091,534 0.043,537 1121,538 2541,539 2.082,540 50,542 9,544 2,546 2,550 1.48,551 2,552 2.621,553 -0.748,557 1,559 36.132,560 1.39,561 3.142,562 4.133,563 4.287,564 4.287,565 4.287,566 1.95,567 3.027,568 3.679,569 2.674,570 208.569,571 6.073,572 1554.69,574 1,577 122.211,578 1.14,579 3.655,580 0.143,582 0.062,583 0.045,584 0.035,585 0.015,586 0.011,587 0.014,590 0.325,591 1,592 1,593 0.569,594 47.554,595 0.057,596 -0.419,597 0.078,598 -0.18,599 0.11,600 -0.069,601 -0.119,602 0.164,603 -0.008,604 0.124,605 -0.088,606 0.079,607 -0.253,608 -0.075,609 -0.274,610 -0.175,611 -0.235,612 -0.219,613 -0.091,614 -0.195,615 -0.152,616 -0.197,617 -0.057,618 -0.184,619 0.345,620 0.308,621 0.389,622 0.362,623 0.405,624 0.378,625 -0.086,626 -0.536,627 -0.344,628 -0.54,629 -0.215,630 -0.483,631 -0.282,632 0.282,633 -0.112,634 0.16,635 -0.352,636 0.062,637 0.14,638 -0.293,639 -0.128,640 -0.313,641 -0.049,642 -0.261,643 0.593,644 1.427,645 0.846,646 5.953,647 0.989,648 1.137,649 1.158,650 1.342,651 0.647,652 2.708,653 2.944,654 3.135,655 3.296,656 3.296,657 3.091,658 3.091,659 3.045,660 2.833,661 2.398,662 3.724,663 0.604,664 175.26,665 2.708,666 4.174,667 4.977,668 5.802,669 6.621,670 7.452,671 8.277,672 9.108,673 9.936,674 10.768,675 11.5,678 1,684 1,685 1,688 4,689 1,693 1,695 6,714 26,716 7,718 14,720 27,721 10,722 5,730 2,731 2,743 1,745 6,746 4,750 1,758 1,759 1,764 13,765 3,767 3,773 3,774 1,777 1,786 1,792 1,793 1,815 1,819 2,823 1,827 13,833 3,838 1,854 6.5,855 4.933,856 2.944,857 1.522,858 1.406,859 1.262,860 0.959,861 2.369,862 6.781,863 2.944,864 3.418,865 3.845,866 4.257,867 4.594,868 4.364,869 4.586,870 4.843,871 4.799,872 4.505,873 0.75,874 14,875 4.783,876 -0.003,877 1.907,878 7.487,879 9.396,880 -0.001,881 7.387,882 0.001,883 1.987,884 25.833,885 0.014,888 153.024,889 57.703,890 36.695,895 57.703,896 153.024,897 36.695,898 8.396,899 6.746,900 18.952,901 42.656,902 41.19,904 129.482,906 153.024,907 94.399,911 153.024,915 44.751,916 32.862,917 16.786,919 153.024,920 36.695,921 57.703,924 153.024,925 12.259,926 48.568,928 33.571,929 153.024,930 36.695,931 57.703,933 0.562,934 0.319,935 0.166,936 0.078,937 9,938 3,939 0.074,940 2,942 1,943 2.629,944 75.253,946 11,947 48.106,951 8.393,952 3.67,953 1.93,955 36.695,956 7.741,957 4.078,961 1.231,964 247.423,965 18,973 4.427,974 1.174,975 25.723,976 29.571,977 0.296,978 0.668,979 0.879,980 0.912,981 0.912,982 0.912,983 4.119,984 -0.661,985 4.905,986 -0.185,987 3.611,988 4.094,989 1.807,990 5.602,991 3.512,992 5.259,993 -1,994 6.389,995 -1.425,996 2.944,997 3.481,998 1.048,999 6.26,1000 2.787,1001 6.508,1002 -1.102,1003 7.975,1004 -2.347,1005 5.081,1006 6.081,1007 2.207,1008 9.324,1009 4.883,1010 7.793,1011 -1.582,1012 9.624,1013 -2.679,1014 5.303,1015 6.278,1016 2.022,1017 10.865,1018 5.025,1019 9.112,1020 -1.725,1021 11.315,1022 -3.963,1023 6.843,1024 8.319,1025 2.848,1026 13.372,1027 6.536,1028 10.452,1029 -1.96,1030 13.034,1031 -4.789,1032 7.484,1033 8.899,1034 2.957,1035 15.262,1036 7.091,1037 11.807,1038 -2,1039 14.773,1040 -5.087,1041 8.753,1042 10.664,1043 3.603,1044 17.565,1045 8.328,1046 2.864,1048 16.526,1049 -6.039,1050 9.596,1051 11.454,1052 3.865,1053 19.607,1054 9.087,1055 2.419,1056 8.786,1057 18.288,1059 10.742,1060 13.06,1061 4.415,1062 21.831,1063 10.193,1064 1.529,1065 6.769,1066 20.058,1067 3.522,1068 11.684,1069 13.981,1070 4.757,1071 23.941,1072 11.057,1073 1.202,1074 3.574,1075 21.833,1076 3.183,1077 12.774,1078 15.485,1079 5.255,1080 26.133,1081 12.1,1082 1.091,1083 2.885,1084 23.613,1085 2.063,1086 13.767,1087 16.495,1088 5.64,1089 28.276,1090 13.019,1091 1,1092 2.364,1093 25.396,1094 1.5,1095 14.831,1096 17.93,1097 6.11,1098 30.456,1099 14.031,1100 -0.074,1101 2.136,1102 27.182,1103 1.459,1104 15.851,1105 19.004,1106 6.518,1107 32.613,1108 14.98,1109 1145,1110 1777,1111 9.534,1112 16.824,1113 20.51,1114 20.215,1115 20.731,1116 20.203,1117 20.208,1118 25.677,1119 5.066,1120 53.027,1121 19.182,1122 5.006,1123 5.391,1124 5.876,1125 4.838,1126 4.864,1127 6.522,1128 2.69,1129 14.826,1130 4.639,1131 3.849,1132 1.465,1133 1.444,1134 1.481,1135 1.443,1136 1.443,1137 1.834,1138 0.362,1139 3.788,1140 1.37,1141 3.934,1142 3.987,1143 3.866,1144 3.814,1145 4.907,1146 3.819,1147 3.749,1148 3.814,1149 3.664,1150 3.56,1151 4.675,1152 3.577,1153 3.136,1154 3.22,1155 2.967,1156 2.995,1157 3.867,1158 2.977,1159 3.074,1160 3.182,1161 2.808,1162 2.833,1163 3.821,1164 2.808,1165 2.764,1166 2.85,1167 2.622,1168 2.568,1169 3.702,1170 2.569,1171 2.594,1172 2.679,1173 2.441,1174 2.412,1175 3.295,1176 2.412,1177 2.353,1178 2.498,1179 2.018,1180 2.04,1181 2.92,1182 2.014,1183 2.043,1184 2.187,1185 1.703,1186 1.727,1187 2.506,1188 1.705,1189 0.294,1190 0.242,1191 0.434,1192 0.272,1193 0.205,1194 4.117,1195 0.252,1196 3.391,1197 0.11,1198 6.074,1199 0.628,1200 3.802,1201 0.193,1202 2.864,1203 3.522,1204 1.545,1205 8.786,1206 2.697,1207 1.862,1208 1.824,1209 1.984,1210 1.988,1211 1.122,1212 1.989,1213 1.507,1214 1.424,1215 1.777,1216 1.755,1217 1.036,1218 1.766,1219 1.429,1220 1.36,1221 1.641,1222 1.65,1223 0.733,1224 1.652,1225 1.062,1226 0.97,1227 1.43,1228 1.298,1229 0.557,1230 1.35,1231 0.766,1232 0.683,1233 1.063,1234 0.999,1235 0.159,1236 1.028,1237 0.664,1238 0.572,1239 0.982,1240 0.943,1241 0.042,1242 0.963,1243 0.387,1244 0.255,1245 0.86,1246 0.7,1248 0.763,1251 0.362,1252 0.299,1254 0.346,1255 3.367,1257 4.615,1258 2.398,1259 6.052,1260 4.595,1261 7.567,1262 6.529,1263 9.119,1265 2.086,1271 2.895,1276 2.201,1280 15.698,1281 36.132,1282 81.682,1283 107.457,1284 111.457,1285 111.457,1286 111.457,1287 11.211,1288 5.375,1289 28.49,1290 28.49,1291 11,1292 11.34,1293 3,1294 2.322,1295 19.235,1296 29,1297 22,1298 0.344,1299 100.58,1300 168.38,1301 237.176,1302 1117,1304 9.096,1305 0.7,1306 0.598,1307 9.096,1308 7.772,1309 6.36,1310 0.454,1311 0.321,1312 4.426,1313 6.11,1314 4.277,1315 3.572,1316 6.36,1317 4.494,1318 5.408,1319 0.3,1320 0.181,1321 5.408,1322 3.258,1323 4.4,1324 0.2,1325 0.103,1326 4.4,1327 2.255,1328 3.423,1329 0.132,1330 0.056,1331 3.423,1332 1.455,1333 2.335,1334 0.09,1335 0.032,1336 2.335,1337 0.834,1338 0.516,1339 39.775,1340 0.324,1341 13.257,1342 0.996,1343 64,1344 166.935,1345 69.245,1346 164.522,1347 226.26,1348 156,1349 72,1350 163.69,1351 77.856,1352 168.48,1353 239.71,1354 157,1355 5} {0 CHEMBL313714,1 1.541,2 15.647,3 2.974,4 8.845,5 133.836,6 7.117,7 0.553,8 4.275,9 4.41,10 3.805,11 3.784,12 5.325,13 3.761,14 4.838,15 5.027,16 4.145,17 4.212,18 5.812,19 4.158,20 5.136,21 5.378,22 4.149,23 4.369,24 6.028,25 4.261,26 5.222,27 5.484,28 4.077,29 4.393,30 6.05,31 4.251,32 5.248,33 5.53,34 4.037,35 4.355,36 6.02,37 4.201,38 5.196,39 5.472,40 4.024,41 4.285,42 6.05,43 4.15,44 5.121,45 5.395,46 3.949,47 4.206,48 6.064,49 4.067,50 5.019,51 5.311,52 3.752,53 4.088,54 5.801,55 3.935,56 0.067,57 1.074,58 14.416,59 5.803,60 13.584,61 8.028,62 0.241,63 1.74,64 27.074,65 9.758,66 29.339,67 13.929,68 0.386,69 2.099,70 38.65,71 13.593,72 49.475,73 19.758,74 0.377,75 2.124,76 42.784,77 15.215,78 53.871,79 22.299,80 0.37,81 2.023,82 44.735,83 15.702,84 54.906,85 23.379,86 0.526,87 1.987,88 42.995,89 14.169,90 62.482,91 20.976,92 0.65,93 1.889,94 40.113,95 13.135,96 89.636,97 19.308,98 0.406,99 1.712,100 36.179,101 11.552,102 45.883,103 17.421,104 6,105 52,106 0.244,107 0.6,108 0.78,109 0.838,110 0.852,111 0.852,112 3.56,113 0.947,114 -4.96,115 -4.86,116 -4.56,119 40,121 4,125 4,127 2,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 5,176 6,178 10,182 3,185 1,186 6,189 7,193 6,195 1,197 5,199 7,203 6,206 1,208 4,211 8,215 5,218 1,220 1,222 7,226 5,229 3,231 1,233 2,236 1,237 5,242 3,244 3,254 2,256 5,259 2126,260 23.61,261 23.61,262 23.61,263 23.61,264 23.61,265 21.17,266 30.118,267 14.001,268 24.09,269 18.717,270 18.717,271 18.717,272 18.717,273 18.717,274 15.103,275 40.778,276 6.588,277 19.546,278 4.482,279 2.238,280 1.099,281 0.731,282 0.646,283 0.646,284 4.27,289 1,290 1180,291 3.536,294 188.135,295 357.05,298 161.154,302 2.415,303 27.607,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 73.5,315 532,316 4.568,317 3.199,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.132,326 3.195,327 6.162,328 3.865,329 2.891,330 3.731,331 0.657,332 9.13,333 2.816,334 4.129,335 2.903,336 6.095,337 3.69,338 2.753,339 3.675,341 8.884,342 2.578,343 3.698,344 2.876,345 5.481,346 3.569,347 2.617,348 2.898,350 7.345,351 2.492,352 3.554,353 2.816,354 5.163,355 3.267,356 2.332,357 2.813,359 6.444,360 2.167,361 3.429,362 2.366,363 5.119,364 3.085,365 2.126,366 2.631,368 6.011,369 2.036,370 3.251,371 2.179,372 5.003,373 2.982,374 2.013,375 2.588,377 5.945,378 1.935,379 3.172,380 1.795,381 4.514,382 2.73,383 1.776,384 2.206,386 4.655,387 1.69,388 2.743,389 1.697,390 4.232,391 2.386,392 1.43,393 1.848,395 3.758,396 1.359,397 2.617,398 1.369,399 4.133,400 2.302,401 1.321,402 1.632,404 3.477,405 1.292,406 2.5,407 1.171,408 3.471,409 2.085,410 1.121,411 1.5,413 2.526,414 1.078,415 2.425,416 1.077,417 3.414,418 2,419 1,420 1.398,422 2.275,423 1,424 2.253,425 1,426 3.414,427 1.984,428 1,429 1.194,431 2.275,432 0.983,433 2.118,434 0.989,435 3.317,436 1.86,437 0.896,438 1,440 2.097,441 0.862,442 2,443 0.915,444 3.178,445 1.565,446 0.618,447 0.927,449 1.469,450 0.58,451 16.019,452 0.471,453 0.653,454 0.019,455 40.5,456 1.191,457 18,458 0.529,459 22.5,460 0.662,461 32.229,462 0.948,463 37.381,464 0.575,465 29.478,466 0.867,467 7.898,468 0.232,469 8.793,470 0.259,471 0.039,473 0.3,477 1,479 0.778,480 1.248,481 0.825,482 1.106,483 0.655,484 0.996,485 0.89,486 1.082,487 0.982,488 1.043,489 0.651,490 1.024,491 0.856,492 1.005,493 1.021,494 1.043,495 0.71,496 1.053,497 0.738,498 0.945,499 1.022,500 1.098,501 0.647,502 1.105,503 0.599,504 0.856,505 0.865,506 1.016,507 0.557,508 0.994,509 0.885,510 0.86,511 0.941,512 0.956,513 0.891,514 0.963,515 0.882,516 0.959,517 1.002,518 0.999,519 0.925,520 1.022,521 0.877,522 0.914,523 1.025,524 0.966,525 0.787,526 1.002,527 6,528 0.124,529 3.778,530 1.382,531 1.388,532 0.993,533 0.585,534 0.364,535 0.258,536 0.158,537 20950,538 53842,539 2.163,540 47.7,541 2,542 17,543 1,544 2,545 3,547 2,548 4,550 1.752,551 2.082,552 3.895,553 0.811,559 100.153,560 1.541,561 3.785,562 4.924,563 5.291,564 5.376,565 5.376,566 3.352,567 4.514,568 5.061,569 4.106,570 2303.36,571 8.83,572 38208.6,577 391.454,578 1.166,579 5.043,580 0.158,581 0.005,582 0.073,583 0.028,584 0.031,585 0.023,586 0.014,587 0.01,588 0.008,589 0.006,590 0.354,591 0.17,592 0.75,593 0.54,594 187.727,595 -0.017,596 -0.102,597 0.053,598 -0.012,599 -0.011,600 0.021,601 -0.073,602 -0.011,603 -0.064,604 -0.015,605 0.001,606 -0.034,607 -0.051,608 -0.017,609 -0.073,610 -0.031,611 0.021,612 -0.049,613 -0.03,614 -0.047,615 -0.077,616 -0.092,617 -0.002,618 -0.091,619 0.048,620 -0.076,621 0.086,622 -0.023,623 0.035,624 0.026,625 0.012,626 -0.008,627 0.042,628 0.018,629 -0.013,630 0.03,631 0.102,632 -0.024,633 -0.008,634 -0.023,635 0.072,636 -0.036,637 -0.055,638 0.005,639 -0.041,640 -0.011,641 -0.053,642 -0.018,643 1.919,644 5.204,645 0.765,646 41.796,647 0.999,648 1.137,649 3.725,650 13.877,651 0.651,652 3.664,653 3.97,654 4.248,655 4.489,656 4.673,657 4.745,658 4.86,659 4.977,660 5.011,661 5.037,662 9.135,663 0.617,664 462.63,665 3.664,666 5.198,667 6.047,668 6.913,669 7.775,670 8.645,671 9.512,672 10.384,673 11.255,674 12.129,675 9.2,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 65,716 21,717 2,718 38,720 69,721 26,722 16,723 5,724 7,730 5,731 6,736 1,740 3,743 6,745 16,746 10,762 1,764 31,765 6,766 3,767 8,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,825 1,827 34,832 1,833 8,834 1,837 2,838 1,844 1,846 1,847 1.5,848 1,854 16.333,855 11.143,856 7.528,857 4.022,858 3.54,859 1.427,860 0.986,861 7.239,862 11.834,863 3.902,864 4.477,865 5.064,866 5.637,867 6.083,868 6.413,869 6.823,870 7.224,871 7.406,872 7.618,873 1,874 50,875 12.602,877 5.392,878 7.667,879 24.578,881 20.79,883 2.167,884 73.667,888 329.591,889 132.04,890 73.146,892 42.683,893 14.96,895 132.04,896 372.274,897 88.106,899 16.455,900 136.075,901 74.105,902 42.631,903 28.875,904 294.278,906 329.591,907 205.185,908 57.643,911 273.924,912 70.627,913 42.683,915 73.512,916 98.347,917 33.326,919 344.551,920 115.829,921 132.04,924 329.591,925 39.421,926 97.642,927 34.796,928 90.969,929 329.591,930 130.789,931 132.04,933 0.575,934 0.339,935 0.182,936 0.095,937 25,938 10,939 0.13,940 9,941 1,942 1.077,943 4.748,944 307.554,945 0.077,946 26,947 160.974,951 23.035,952 10.685,953 5.516,954 2.406,955 112.105,956 18.331,957 7.807,958 3.392,961 3.08,962 1.922,963 77.48,964 592.42,965 48.5,975 64.938,976 73.937,977 0.256,978 0.628,979 0.818,980 0.879,981 0.893,982 0.893,983 5.131,984 1.776,985 6.009,986 5.945,987 4.654,988 5.165,989 1.038,990 6.786,991 4.573,992 6.306,993 1.43,994 7.543,995 4.655,996 4.111,997 4.844,998 0.325,999 7.609,1000 3.981,1001 7.592,1002 1.321,1003 9.174,1004 3.758,1005 6.217,1006 7.333,1007 0.607,1008 10.684,1009 6.065,1010 8.915,1011 1.121,1012 10.864,1013 3.477,1014 6.538,1015 7.943,1016 0.268,1017 12.364,1018 6.344,1019 10.274,1020 1,1021 12.594,1022 2.526,1023 8.048,1024 9.84,1025 0.359,1026 14.928,1027 7.838,1028 11.659,1029 1,1030 14.35,1031 2.275,1032 8.768,1033 10.896,1034 0.188,1035 16.962,1036 8.526,1037 13.063,1038 0.896,1039 16.126,1040 2.275,1041 10.036,1042 12.552,1043 0.214,1044 19.356,1045 9.777,1046 3.118,1047 0.618,1048 17.917,1049 2.097,1050 10.95,1051 13.832,1052 0.125,1053 21.545,1054 10.668,1055 2.891,1056 10.431,1057 19.72,1058 1.469,1059 12.115,1060 15.387,1061 0.129,1062 23.881,1063 11.818,1064 2.753,1065 9.13,1066 21.531,1067 4.518,1068 13.125,1069 16.778,1070 0.082,1071 26.139,1072 12.81,1073 2.617,1074 8.884,1075 23.351,1076 3.731,1077 14.25,1078 18.294,1079 0.079,1080 28.459,1081 13.919,1082 2.332,1083 7.345,1084 25.177,1085 3.675,1086 15.308,1087 19.739,1088 0.054,1089 30.751,1090 14.962,1091 2.126,1092 6.444,1093 27.009,1094 2.898,1095 16.418,1096 21.242,1097 0.048,1098 33.069,1099 16.058,1100 2.013,1101 6.011,1102 28.845,1103 2.813,1104 17.502,1105 22.715,1106 0.035,1107 35.379,1108 17.127,1109 19268,1110 31051,1111 26.235,1112 42.324,1113 56.616,1114 56.728,1115 57.26,1116 56.156,1117 56.15,1118 71.704,1119 2.915,1120 157.811,1121 53.779,1122 5.568,1123 5.199,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 11.763,1132 1.49,1133 1.493,1134 1.507,1135 1.478,1136 1.478,1137 1.887,1138 0.077,1139 4.153,1140 1.415,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 8.201,1146 4.07,1147 3.964,1148 4.008,1149 3.896,1150 3.874,1151 6.456,1152 3.874,1153 3.85,1154 3.913,1155 3.79,1156 3.702,1157 5.135,1158 3.701,1159 3.82,1160 3.888,1161 3.731,1162 3.585,1163 4.927,1164 3.623,1165 3.557,1166 3.626,1167 3.426,1168 3.395,1169 4.646,1170 3.394,1171 3.438,1172 3.495,1173 3.31,1174 3.253,1175 4.374,1176 3.26,1177 3.278,1178 3.344,1179 3.162,1180 3.113,1181 4.257,1182 3.115,1183 3.111,1184 3.206,1185 2.905,1186 2.941,1187 4.055,1188 2.91,1189 0.12,1190 0.084,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.199,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.079,1210 2.071,1211 1.431,1212 2.077,1213 1.926,1214 1.895,1215 2.038,1216 2.048,1217 1.28,1218 2.046,1219 1.83,1220 1.771,1221 1.997,1222 1.981,1223 1.185,1224 1.989,1225 1.663,1226 1.608,1227 1.872,1228 1.83,1229 1.113,1230 1.847,1231 1.432,1232 1.369,1233 1.644,1234 1.683,1235 0.825,1236 1.669,1237 1.393,1238 1.328,1239 1.578,1240 1.639,1241 0.82,1242 1.626,1243 1.303,1244 1.24,1245 1.513,1246 1.51,1247 0.746,1248 1.517,1249 1.153,1250 1.064,1251 1.485,1252 1.442,1253 0.581,1254 1.429,1255 4.344,1257 5.652,1258 3.045,1259 7.148,1260 5.283,1261 8.725,1262 7.286,1263 10.347,1267 13.204,1270 9.807,1271 7.412,1272 3.563,1275 0.213,1276 2.529,1280 40.075,1281 100.153,1282 246.015,1283 320.028,1284 343.944,1285 349.454,1286 349.454,1287 56.487,1288 8.294,1289 82,1290 82,1291 28,1292 12.67,1293 4.459,1294 3.524,1295 50.486,1296 192,1297 174,1298 0.126,1299 242.818,1300 410.06,1301 584.236,1302 58062,1303 1.5,1304 23.33,1305 0.686,1306 0.565,1307 22.46,1308 19.199,1309 16.691,1310 0.439,1311 0.316,1312 11.82,1313 16.015,1314 11.637,1315 9.575,1316 16.297,1317 11.991,1318 14.621,1319 0.281,1320 0.175,1321 13.999,1322 9.086,1323 12.71,1324 0.184,1325 0.1,1326 12.299,1327 6.868,1328 10.398,1329 0.118,1330 0.056,1331 10.246,1332 4.918,1333 8.141,1334 0.077,1335 0.033,1336 7.917,1337 3.47,1338 0.208,1339 104.769,1340 0.195,1341 32.41,1342 0.319,1343 180,1344 507.507,1345 196.427,1346 469.66,1347 642.02,1348 442,1349 211,1350 471.902,1351 227.923,1352 472.936,1353 686.92,1354 446,1355 9.046} {0 CHEMBL314107,1 1.57,2 7.375,3 4.054,4 16.437,5 91.086,6 7.509,7 0.444,8 3.9,9 4.016,10 3.483,11 3.438,12 4.98,13 3.421,14 4.485,15 4.661,16 3.89,17 3.858,18 5.542,19 3.838,20 4.786,21 4.97,22 4.005,23 4.078,24 5.835,25 4.024,26 4.923,27 5.164,28 4.016,29 4.111,30 5.845,31 4.032,32 4.902,33 5.12,34 3.976,35 4.083,36 5.913,37 4.003,38 4.837,39 5.085,40 3.814,41 3.921,42 5.952,43 3.836,44 4.597,45 4.858,46 3.525,47 3.689,48 5.668,49 3.582,50 4.443,51 4.703,52 3.33,53 3.457,54 5.664,55 3.359,56 0.079,57 0.771,58 8.962,59 4.367,60 7.087,61 5.44,62 0.206,63 1.279,64 18.289,65 7.148,66 21.446,67 9.148,68 0.427,69 1.658,70 25.894,71 10.096,72 45.111,73 12.525,74 0.47,75 1.703,76 31.706,77 11.555,78 48.44,79 15.634,80 0.656,81 1.685,82 31.087,83 11.41,84 61.226,85 14.773,86 0.644,87 1.76,88 30.628,89 10.626,90 80.454,91 13.297,92 0.327,93 1.364,94 23.779,95 8.65,96 49.397,97 11.263,98 0.523,99 1.277,100 21.287,101 7.038,102 59.167,103 8.624,104 19,105 40,106 0.274,107 0.576,108 0.767,109 0.828,110 0.852,111 0.86,112 3.231,113 0.909,114 -5.58,115 -5.45,116 -5.09,119 43.2,121 2,124 2,125 1,127 2,140 6,141 3,142 3,164 1,169 8,172 5,178 12,181 1,182 8,189 12,192 1,193 6,199 11,203 4,211 8,215 5,222 4,226 3,237 2,259 682,260 15.98,261 15.98,262 15.98,263 15.98,264 15.98,265 14.477,266 22.932,267 9.23,268 16.341,269 13.38,270 13.38,271 13.38,272 13.38,273 13.38,274 11.106,275 31.667,276 4.47,277 14.01,278 3.89,279 2.161,280 1.069,281 0.716,282 0.58,283 0.534,284 3.927,287 1,288 1,289 1,290 384,291 2.915,294 30.178,295 79.708,296 39.881,299 60.016,300 136.307,302 1.125,303 28.787,305 1,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 53,315 177,316 4.519,317 4.44,318 6.913,319 4.27,320 3.301,321 4.08,322 2.43,323 11.678,324 3.201,325 4.176,326 3.256,327 6.28,328 3.77,329 2.789,330 3.824,331 0.8,332 9.415,333 2.732,334 3.802,335 3.035,336 5.839,337 3.621,338 2.661,339 2.985,340 0.68,341 8.207,342 2.549,343 3.51,344 2.764,345 5.277,346 3.205,347 2.274,348 2.761,349 0.442,350 6.612,351 2.116,352 3.404,353 2.71,354 4.996,355 3.108,356 2.164,357 2.703,359 5.959,360 2.019,361 3.311,362 2.607,363 4.942,364 2.996,365 2.062,366 2.358,368 5.731,369 1.905,370 2.845,371 2.192,372 4.591,373 2.676,374 1.752,375 1.975,377 4.462,378 1.612,379 2.83,380 2.051,381 4.414,382 2.464,383 1.474,384 1.862,386 4.319,387 1.456,388 2.373,389 1.404,390 4.071,391 2.019,392 1.034,393 1.342,395 2.926,396 1.017,397 1.939,398 1.064,399 3.712,400 1.769,401 0.784,402 0.882,404 2.246,405 0.769,406 1.622,407 0.868,408 3.113,409 1.363,410 0.403,411 0.472,413 1.017,414 0.381,415 1.188,416 0.485,417 2.783,418 0.852,419 -0.083,420 -0.1,422 -0.201,423 -0.076,424 0.744,425 0.045,426 2.543,427 0.636,428 -0.301,429 -0.306,431 -0.829,432 -0.28,433 0.706,434 -0.092,435 2.385,436 0.34,437 -0.599,438 -0.704,440 -1.793,441 -0.55,442 0.563,443 -0.175,444 2.367,445 0.187,446 -0.71,447 -0.836,449 -1.843,450 -0.612,451 11.205,452 0.467,453 0.75,454 0.031,455 28.25,456 1.177,457 12.5,458 0.521,459 15.75,460 0.656,461 21.58,462 0.899,463 26.595,464 0.604,465 21.003,466 0.875,467 5.674,468 0.236,469 5.834,470 0.243,471 0.14,473 0.428,477 2,479 0.535,480 1.046,481 0.709,482 1.092,483 0.502,484 0.985,485 0.825,486 0.916,487 0.793,488 0.903,489 0.515,490 0.84,491 1.046,492 1.013,493 1.086,494 1.079,495 0.859,496 1.091,497 0.691,498 0.749,499 0.81,500 0.918,501 0.547,502 0.897,503 0.891,504 0.845,505 0.973,506 0.982,507 0.669,508 1.008,509 1.194,510 1.159,511 1.09,512 1.021,513 1.335,514 1.023,515 0.969,516 1.18,517 0.98,518 1.094,519 1.076,520 1.056,521 1.447,522 1.256,523 1.266,524 1.079,525 1.837,526 1.112,527 6,529 2.444,530 1.847,531 2.032,532 0.917,533 0.8,534 0.386,535 0.334,536 0.063,537 5432,538 15029,539 2.11,540 45.5,541 2,542 16,548 2,550 1.679,551 1.946,552 2.904,553 -0.782,555 1,559 69.066,560 1.57,561 3.299,562 4.391,563 4.743,564 4.88,565 4.925,566 2.242,567 3.585,568 4.553,569 3.056,570 843.531,571 7.916,572 9443.35,574 1,576 1,577 240.215,578 1.483,579 4.504,580 0.222,582 0.061,583 0.043,584 0.047,585 0.023,586 0.025,587 0.016,588 0.019,589 0.007,590 0.463,591 0.67,592 0.88,593 1.004,594 109.855,595 0.065,596 -0.079,597 0.07,598 -0.033,599 -0.015,600 0.003,601 -0.073,602 -0.004,603 0.077,604 0.076,605 0.049,606 0.116,607 -0.117,608 -0.051,609 -0.177,610 -0.085,611 -0.077,612 -0.133,613 0.036,614 0.043,615 0.122,616 0.04,617 0.024,618 0.092,619 0.024,620 -0.023,621 -0.025,622 -0.009,623 0.011,624 -0.032,625 -0.042,626 -0.069,627 -0.067,628 -0.047,629 -0.075,630 -0.057,631 -0.04,632 -0.187,633 0.01,634 -0.113,635 -0.016,636 -0.058,637 -0.063,638 0.031,639 -0.187,640 -0.103,641 -0.155,642 -0.163,643 1.954,644 5.857,645 0.75,646 17.986,647 1.009,648 1.137,649 4.348,650 18.905,651 0.658,652 3.332,653 3.714,654 4.007,655 4.382,656 4.71,657 4.934,658 5.153,659 5.318,660 5.455,661 5.509,662 4.842,663 0.632,664 330.41,665 3.332,666 4.905,667 5.778,668 6.696,669 7.597,670 8.523,671 9.438,672 10.367,673 11.289,674 12.219,675 4.5,678 1,681 1,688 6,693 6,695 12,706 1,713 2,714 44,716 12,717 2,718 27,720 47,721 19,722 12,723 6,724 6,730 4,731 11,740 4,743 4,745 12,746 7,761 1,762 2,764 20,765 5,767 5,773 2,777 0.25,778 1,792 1,793 2,794 1,797 1,798 2,815 1,819 1,823 2,825 2,827 24,833 3,835 1,837 2,838 2,846 2,847 2.3,851 1,854 12.333,855 8.519,856 5.056,857 2.624,858 2.509,859 1.321,860 0.999,861 3.878,862 10.318,863 3.526,864 4.127,865 4.659,866 5.24,867 5.82,868 6.094,869 6.492,870 6.919,871 7.301,872 7.629,873 0.8,874 43,875 8.972,877 3.988,878 7.861,879 17.142,881 14.765,883 2.361,884 56.667,887 1,888 235.422,889 111.381,890 8.863,892 11.219,893 29.92,895 111.381,896 246.641,897 38.783,898 16.793,899 7.175,900 56.857,901 11.219,902 39.418,903 29.92,904 235.422,906 235.422,907 120.243,908 41.139,911 241.8,912 23.542,913 11.219,915 10.299,916 109.944,919 265.342,920 20.082,921 111.381,924 235.422,925 37.73,926 82.513,928 41.139,929 235.422,930 50.002,931 111.381,933 0.594,934 0.331,935 0.193,936 0.121,937 22,938 10,939 0.043,940 2,941 3,942 1.333,943 3.436,944 215.965,945 0.333,946 18,947 108.039,951 15.707,952 5.925,953 2.873,955 50.002,956 9.698,961 3.222,964 396.805,965 33,975 44.392,976 50.037,977 0.288,978 0.604,979 0.804,980 0.869,981 0.894,982 0.902,983 4.812,984 1.474,985 5.796,986 4.462,987 4.394,988 4.812,989 2.665,990 6.658,991 4.311,992 6.017,993 1.034,994 7.381,995 4.319,996 4.111,997 4.663,998 1.494,999 7.618,1000 3.956,1001 7.33,1002 0.784,1003 9.061,1004 2.926,1005 6.033,1006 6.939,1007 4.123,1008 10.766,1009 5.884,1010 8.669,1011 0.403,1012 10.797,1013 2.246,1014 6.509,1015 7.538,1016 3.425,1017 12.565,1018 6.303,1019 10.038,1020 -0.083,1021 12.571,1022 1.017,1023 7.954,1024 9.355,1025 5.801,1026 15.248,1027 7.749,1028 11.428,1029 -0.301,1030 14.372,1031 -0.201,1032 8.792,1033 10.316,1034 5.424,1035 17.416,1036 8.544,1037 12.835,1038 -0.599,1039 16.195,1040 -0.829,1041 10.055,1042 11.931,1043 7.512,1044 19.939,1045 9.797,1046 3.301,1047 -0.71,1048 18.036,1049 -1.793,1050 11.071,1051 13.085,1052 7.37,1053 22.267,1054 10.777,1055 2.789,1056 11.678,1057 19.891,1058 -1.843,1059 12.267,1060 14.597,1061 9.233,1062 24.736,1063 11.955,1064 2.661,1065 9.415,1066 21.757,1067 4.08,1068 13.369,1069 15.856,1070 9.273,1071 27.134,1072 13.024,1073 2.274,1074 8.207,1075 23.633,1076 3.824,1077 14.546,1078 17.313,1079 10.961,1080 29.587,1081 14.177,1082 2.164,1083 6.612,1084 25.516,1085 2.985,1086 15.689,1087 18.63,1088 11.144,1089 32.015,1090 15.289,1091 2.062,1092 5.959,1093 27.407,1094 2.761,1095 16.864,1096 20.057,1097 12.694,1098 34.466,1099 16.437,1100 1.752,1101 5.731,1102 29.303,1103 2.703,1104 18.028,1105 21.407,1106 12.994,1107 36.907,1108 17.57,1109 5269,1110 8869,1111 17.918,1112 28.955,1113 41.772,1114 43.869,1115 43.111,1116 41.58,1117 41.395,1118 50.487,1119 8.704,1120 125.145,1121 39.512,1122 5.458,1123 6.44,1124 6.236,1125 5.316,1126 5.301,1127 7.08,1128 4.661,1129 19.171,1130 5.201,1131 12.333,1132 1.547,1133 1.625,1134 1.597,1135 1.54,1136 1.533,1137 1.87,1138 0.322,1139 4.635,1140 1.463,1141 4.079,1142 4.107,1143 4.033,1144 3.997,1145 8.203,1146 4,1147 3.813,1148 3.838,1149 3.771,1150 3.745,1151 8.2,1152 3.746,1153 3.74,1154 3.798,1155 3.634,1156 3.561,1157 4.817,1158 3.569,1159 3.48,1160 3.56,1161 3.336,1162 3.248,1163 4.525,1164 3.255,1165 3.204,1166 3.256,1167 3.12,1168 3.065,1169 4.473,1170 3.066,1171 2.989,1172 3.071,1173 2.815,1174 2.836,1175 4.251,1176 2.82,1177 2.874,1178 3.009,1179 2.763,1180 2.727,1181 3.682,1182 2.719,1183 2.856,1184 2.917,1185 2.706,1186 2.618,1187 3.627,1188 2.615,1189 0.167,1190 0.164,1191 0.256,1192 0.158,1193 0.122,1194 4.519,1195 0.151,1196 4.44,1197 0.09,1198 6.913,1199 0.433,1200 4.27,1201 0.119,1202 3.301,1203 4.08,1204 2.43,1205 11.678,1206 3.201,1207 1.955,1208 1.934,1209 2.053,1210 2.03,1211 1.325,1212 2.038,1213 1.872,1214 1.847,1215 1.965,1216 1.975,1217 1.21,1218 1.971,1219 1.656,1220 1.59,1221 1.884,1222 1.889,1223 1.079,1224 1.893,1225 1.391,1226 1.314,1227 1.672,1228 1.6,1229 0.84,1230 1.629,1231 1.176,1232 1.127,1233 1.417,1234 1.441,1235 0.602,1236 1.415,1237 1.154,1238 1.094,1239 1.4,1240 1.356,1241 0.571,1242 1.369,1243 0.934,1244 0.804,1245 1.395,1246 1.239,1247 0.469,1248 1.308,1249 0.843,1250 0.783,1251 1.125,1252 1.03,1253 0.257,1254 1.068,1255 4.007,1257 5.371,1258 2.398,1259 6.911,1260 4.844,1261 8.541,1262 7.066,1263 10.224,1265 3.988,1267 27.691,1271 2.173,1273 6.137,1275 -0.098,1276 3.855,1280 27.792,1281 69.066,1282 145.138,1283 193.195,1284 208.705,1285 214.705,1286 216.705,1287 44.941,1288 7.81,1289 15.71,1290 15.71,1291 24,1292 12.723,1293 3.7,1294 2.807,1295 33.446,1296 71,1297 71,1298 0.248,1299 165.868,1300 293.11,1301 396.478,1302 24745,1303 4.5,1304 16.845,1305 0.702,1306 0.575,1307 15.104,1308 13.799,1309 11.508,1310 0.426,1311 0.303,1312 8.044,1313 10.95,1314 7.816,1315 6.433,1316 10.72,1317 8.185,1318 11.215,1319 0.28,1320 0.171,1321 9.947,1322 6.86,1323 8.892,1324 0.165,1325 0.088,1326 8.207,1327 4.733,1328 8.057,1329 0.102,1330 0.047,1331 7.633,1332 3.749,1333 7.119,1334 0.065,1335 0.025,1336 6.445,1337 2.768,1338 0.366,1339 72.916,1340 0.236,1341 22.477,1342 0.759,1343 134,1344 461.248,1345 150.032,1346 391.713,1347 524.24,1348 366,1349 161,1350 383.245,1351 177.41,1352 374.294,1353 550.47,1354 351,1355 6} {0 CHEMBL314738,1 1.291,2 11.864,3 2.36,4 5.571,5 92.055,6 6.01,7 0.25,8 3.972,9 4.13,10 3.358,11 3.473,12 4.823,13 3.409,14 4.574,15 4.799,16 3.635,17 3.892,18 5.353,19 3.775,20 4.885,21 5.171,22 3.613,23 4.022,24 5.538,25 3.851,26 4.871,27 5.18,28 3.398,29 3.917,30 5.502,31 3.716,32 4.747,33 5.062,34 3.238,35 3.79,36 5.324,37 3.573,38 4.65,39 4.972,40 3.135,41 3.674,42 5.227,43 3.451,44 4.544,45 4.867,46 3.059,47 3.56,48 5.111,49 3.347,50 4.44,51 4.764,52 2.98,53 3.45,54 5.049,55 3.257,56 0.074,57 0.749,58 12.687,59 4.563,60 7.22,61 7.104,62 0.243,63 1.198,64 22.767,65 8.014,66 17.428,67 12.314,68 0.231,69 1.418,70 29.901,71 10.044,72 19.317,73 15.998,74 0.293,75 1.315,76 29.353,77 9.337,78 22.586,79 15.09,80 0.195,81 1.133,82 25.443,83 8.751,84 17.07,85 13.789,86 0.223,87 1.013,88 23.038,89 8.09,90 17.388,91 12.504,92 0.155,93 0.912,94 20.687,95 6.941,96 13.041,97 11.075,98 0.18,99 0.829,100 18.885,101 5.727,102 13.996,103 9.497,105 30,106 0.222,107 0.518,108 0.732,109 0.848,110 0.875,111 0.896,112 3.144,113 1.089,114 -4.08,115 -4.03,116 -3.81,119 36,121 5,122 1,125 5,140 4,141 2,157 1,169 11,172 1,174 2,175 1,176 4,178 14,186 2,189 12,193 1,196 1,197 4,199 7,208 2,211 4,218 1,219 1,220 3,222 3,231 3,233 2,237 1,242 4,244 2,249 2,254 4,256 1,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 14.43,266 23.439,267 9.798,268 15.735,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 10.373,275 28.54,276 4.74,277 12.345,278 4.353,279 2.635,280 1.39,281 0.72,282 0.56,283 0.44,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 10.224,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 46,315 261,316 4.228,317 3.133,318 6.183,319 3.922,320 2.923,321 3.815,322 1.263,323 9.226,324 2.921,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.4,332 6.965,333 2.294,334 3.388,335 2.391,336 5.257,337 3.293,338 2.303,339 2.443,340 0.277,341 6.678,342 2.277,343 2.928,344 1.942,345 4.415,346 2.718,347 1.755,348 2.077,349 0.247,350 4.371,351 1.687,352 2.866,353 1.876,354 3.819,355 2.618,356 1.618,357 1.988,359 3.579,360 1.618,361 2.743,362 1.679,363 3.631,364 2.458,365 1.492,366 1.748,368 3.117,369 1.441,370 2.505,371 1.469,372 3.584,373 2.394,374 1.401,375 1.497,377 2.988,378 1.387,379 2.158,380 1.398,381 3.266,382 1.989,383 1.046,384 1.103,386 2.227,387 0.984,388 2.037,389 1.276,390 3.247,391 1.917,392 1,393 1.027,395 2.136,396 0.916,397 1.882,398 0.767,399 3.136,400 1.688,401 0.695,402 0.803,404 1.589,405 0.69,406 1.399,407 0.574,408 2.755,409 1.285,410 0.335,411 0.349,413 0.747,414 0.318,415 0.896,416 -0.005,417 2.338,418 0.741,419 -0.225,420 -0.238,422 -0.524,423 -0.217,424 0.69,425 -0.323,426 2.131,427 0.406,428 -0.555,429 -0.591,431 -1.23,432 -0.532,433 0.569,434 -0.455,435 2,436 0.382,437 -0.618,438 -0.729,440 -1.596,441 -0.618,442 0.298,443 -0.586,444 1.773,445 0.058,446 -0.888,447 -0.932,449 -1.918,450 -0.836,451 10.6,452 0.482,453 0.256,454 0.012,455 21.5,456 0.977,457 7.5,458 0.341,459 14,460 0.636,461 20.562,462 0.935,463 25.4,464 0.508,465 11.693,466 0.531,467 3.912,468 0.178,469 7.004,470 0.318,473 0.189,479 1.147,480 1.462,481 1.047,482 1.221,483 0.979,484 1.14,485 1.085,486 1.112,487 1.165,488 1.162,489 1.051,490 1.169,491 1.086,492 1.082,493 1.039,494 1.047,495 1.085,496 1.04,497 1.296,498 0.91,499 1.119,500 0.967,501 1.258,502 1.017,503 0.918,504 0.975,505 0.988,506 1.002,507 0.911,508 1.001,509 0.712,510 0.881,511 0.93,512 0.968,513 0.721,514 0.969,515 0.84,516 1.012,517 0.898,518 0.97,519 0.789,520 0.944,521 1.334,522 0.847,523 0.984,524 0.819,525 1.23,526 0.861,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 11654,539 2.153,540 56,541 6,542 14,545 3,547 1,548 4,550 1.632,551 2.129,552 3.537,553 0.979,554 1,555 1,559 64.528,560 1.291,561 3.009,562 4.254,563 4.924,564 5.084,565 5.204,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,576 1,577 282.193,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.5,592 1,594 105.786,595 -0.027,596 -0.108,597 0.054,598 -0.002,599 0.068,600 0.028,601 0.097,602 0.085,603 -0.108,604 -0.072,605 0.05,606 -0.103,607 -0.076,608 -0.068,609 -0.047,610 -0.05,611 -0.097,612 -0.047,613 -0.133,614 0.063,615 -0.127,616 -0.033,617 -0.19,618 -0.072,619 -0.045,620 -0.051,621 -0.034,622 -0.039,623 -0.048,624 -0.036,625 0.149,626 0.025,627 0.018,628 -0.015,629 0.122,630 -0.011,631 0.037,632 -0.111,633 0.052,634 -0.023,635 0.043,636 0.01,637 -0.138,638 0.086,639 0.001,640 0.082,641 -0.159,642 0.059,643 0.685,644 1.416,645 0.727,646 20,647 0.98,648 1.14,649 2.851,650 8.127,651 0.623,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.568,664 300.5,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 8,677 3,684 1,688 4,693 2,695 6,714 50,716 7,717 1,718 24,720 52,721 18,722 6,723 2,724 4,730 3,731 4,734 1,740 4,741 1,743 5,745 7,746 11,747 1,750 1,758 1,759 1,760 1,761 1,764 28,765 4,766 3,767 4,773 4,777 0.667,793 3,797 1,814 3,819 2,827 22,833 10,834 3,837 1,854 10.333,855 8.367,856 5.028,857 3.338,858 1.352,859 1.201,860 0.973,861 5.997,862 8.073,863 3.367,864 3.773,865 4.171,866 4.563,867 4.969,868 4.831,869 4.967,870 5.128,871 5.256,872 4.863,873 0.875,874 28,875 8.188,877 3.341,878 7.311,879 16.658,881 13.879,883 1.811,884 39.833,885 0.002,887 1,888 294.278,889 69.376,890 70.818,895 69.376,896 294.278,897 70.818,899 23.201,900 91.937,902 23.157,903 1.899,904 294.278,906 294.278,907 140.194,911 235.422,912 58.856,915 94.019,916 46.175,919 294.278,920 70.818,921 69.376,924 294.278,925 31.471,926 37.905,927 54.032,928 16.786,929 294.278,930 70.818,931 69.376,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.135,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 96.107,951 15.666,952 8.422,953 4.898,955 70.818,956 8.911,961 3.118,963 54.032,964 434.472,965 28,973 4.416,974 0.982,975 49.01,976 56.976,977 0.229,978 0.533,979 0.754,980 0.872,981 0.901,982 0.922,983 4.559,984 1.046,985 5.389,986 2.988,987 4.111,988 4.454,989 1.491,990 6.057,991 4.049,992 5.646,993 1,994 6.843,995 2.227,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.152,1001 6.874,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.374,1007 1.54,1008 9.728,1009 5.438,1010 8.134,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.461,1019 9.436,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.631,1025 1.787,1026 13.773,1027 7.113,1028 10.765,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.633,1037 12.116,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.071,1043 2.114,1044 18.008,1045 8.972,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.759,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.612,1061 2.491,1062 22.343,1063 10.948,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.876,1073 1.755,1074 6.678,1075 22.154,1076 3.091,1077 13.114,1078 16.207,1079 2.899,1080 26.73,1081 12.995,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.995,1091 1.492,1092 3.579,1093 25.723,1094 2.077,1095 15.185,1096 18.834,1097 3.329,1098 31.143,1099 15.084,1100 1.401,1101 3.117,1102 27.515,1103 1.988,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 16.119,1109 6065,1110 8219,1111 16.871,1112 31.16,1113 34.288,1114 34.456,1115 34.265,1116 34.158,1117 34.181,1118 39.884,1119 4.373,1120 87.247,1121 33.065,1122 5.2,1123 5.133,1124 6.008,1125 4.991,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.921,1132 1.429,1133 1.436,1134 1.428,1135 1.423,1136 1.424,1137 1.662,1138 0.182,1139 3.635,1140 1.378,1141 4.015,1142 4.052,1143 3.935,1144 3.955,1145 4.762,1146 3.946,1147 3.826,1148 3.904,1149 3.725,1150 3.62,1151 4.731,1152 3.632,1153 3.678,1154 3.751,1155 3.54,1156 3.524,1157 4.314,1158 3.518,1159 3.534,1160 3.601,1161 3.375,1162 3.403,1163 4.061,1164 3.387,1165 3.259,1166 3.354,1167 3.085,1168 3.061,1169 3.907,1170 3.051,1171 3.119,1172 3.203,1173 2.942,1174 2.938,1175 3.742,1176 2.935,1177 2.963,1178 3.052,1179 2.79,1180 2.783,1181 3.716,1182 2.777,1183 2.924,1184 3.043,1185 2.701,1186 2.645,1187 3.532,1188 2.64,1189 0.176,1190 0.131,1191 0.258,1192 0.163,1193 0.122,1194 4.228,1195 0.159,1196 3.133,1197 0.053,1198 6.183,1199 0.384,1200 3.922,1201 0.122,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.921,1207 2.005,1208 1.975,1209 2.144,1210 2.093,1211 1.476,1212 2.113,1213 1.757,1214 1.684,1215 1.966,1216 1.993,1217 1.234,1218 1.988,1219 1.668,1220 1.603,1221 1.902,1222 1.865,1223 1.195,1224 1.882,1225 1.553,1226 1.49,1227 1.792,1228 1.715,1229 0.998,1230 1.745,1231 1.245,1232 1.162,1233 1.547,1234 1.499,1235 0.809,1236 1.519,1237 1.122,1238 1.038,1239 1.422,1240 1.348,1241 0.624,1242 1.384,1243 0.958,1244 0.877,1245 1.285,1246 1.224,1247 0.492,1248 1.252,1249 0.903,1250 0.788,1251 1.265,1252 1.201,1253 0.463,1254 1.23,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 11.324,1272 10.285,1275 0.798,1280 28.407,1281 64.528,1282 150.444,1283 212.683,1284 246.193,1285 254.193,1286 260.193,1287 27.898,1288 6.72,1289 48.45,1290 48.45,1291 18,1292 11.843,1293 3,1294 2.322,1295 35.009,1296 95,1297 78,1298 0.175,1299 176.72,1300 305.42,1301 422.957,1302 8086,1304 15.037,1305 0.684,1306 0.609,1307 15.037,1308 13.405,1309 10.916,1310 0.455,1311 0.363,1312 8.631,1313 10.633,1314 8.474,1315 7.025,1316 10.916,1317 8.713,1318 8.979,1319 0.299,1320 0.212,1321 8.979,1322 6.373,1323 7.348,1324 0.199,1325 0.124,1326 7.348,1327 4.602,1328 5.928,1329 0.132,1330 0.074,1331 5.928,1332 3.325,1333 4.838,1334 0.088,1335 0.045,1336 4.838,1337 2.478,1338 0.291,1339 67.357,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 216.644,1345 114.716,1346 215.337,1347 302.09,1348 206,1349 121,1350 221.62,1351 127.495,1352 225.91,1353 326.78,1354 215,1355 7.4} {0 CHEMBL315757,1 1.442,2 12.8,3 3.553,4 12.623,5 100.358,6 6.867,7 0.571,8 3.989,9 4.124,10 3.498,11 3.515,12 4.971,13 3.485,14 4.545,15 4.729,16 3.825,17 3.909,18 5.483,19 3.845,20 4.826,21 5.077,22 3.786,23 3.981,24 5.656,25 3.876,26 4.779,27 5.048,28 3.568,29 3.877,30 5.552,31 3.739,32 4.67,33 4.955,34 3.367,35 3.747,36 5.377,37 3.586,38 4.578,39 4.865,40 3.27,41 3.67,42 5.279,43 3.498,44 4.512,45 4.8,46 3.213,47 3.603,48 5.21,49 3.43,50 4.412,51 4.697,52 3.146,53 3.522,54 5.119,55 3.358,56 0.053,57 0.74,58 11.245,59 4.376,60 7.545,61 6.205,62 0.209,63 1.194,64 20.673,65 7.62,66 19.055,67 10.801,68 0.346,69 1.397,70 29.025,71 9.413,72 30.554,73 13.974,74 0.334,75 1.311,76 27.944,77 8.876,78 29.054,79 13.341,80 0.255,81 1.159,82 25.033,83 8.094,84 23.121,85 12.366,86 0.26,87 1.053,88 22.754,89 7.819,90 21.823,91 11.697,92 0.235,93 0.975,94 21.283,95 7.333,96 19.346,97 11.078,98 0.161,99 0.897,100 19.106,101 6.551,102 17.039,103 9.936,105 37,106 0.244,107 0.579,108 0.752,109 0.881,110 0.909,111 0.909,112 3.265,113 0.967,114 -4.04,115 -3.99,116 -3.78,119 40.8,121 3,125 3,127 1,140 8,141 1,142 1,144 1,150 1,160 1,169 9,172 4,174 2,175 1,176 3,178 8,182 5,184 1,186 3,189 6,193 3,196 1,197 5,199 3,203 1,208 4,211 2,218 1,219 1,220 2,222 3,229 1,231 2,233 4,242 3,244 2,248 1,249 1,252 1,254 5,256 1,259 894,260 17.568,261 17.568,262 17.568,263 17.568,264 17.568,265 15.68,266 21.084,267 10.845,268 17.931,269 13.909,270 13.909,271 13.909,272 13.909,273 13.909,274 11.097,275 30.841,276 5.241,277 14.538,278 4.173,279 2.196,280 1.174,281 0.408,282 0.245,283 0.245,284 3.974,287 1,288 1,289 1,290 718,291 3,294 57.244,295 217.008,298 110.961,299 119.894,302 1.92,303 14.231,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 53,315 320,316 4.458,317 3.256,318 6.243,319 3.932,320 2.982,321 4.401,322 0.86,323 9.472,324 2.836,325 4.228,326 3.015,327 6.183,328 3.882,329 2.923,330 3.815,331 0.4,332 9.226,333 2.805,334 3.5,335 2.555,336 5.257,337 3.26,338 2.305,339 2.846,340 0.4,341 6.678,342 2.19,343 3.388,344 2.33,345 5.133,346 3.104,347 2.171,348 2.443,350 6.245,351 2.02,352 3.032,353 1.975,354 4.415,355 2.658,356 1.698,357 2.298,359 4.371,360 1.629,361 2.928,362 1.85,363 4.414,364 2.589,365 1.618,366 2.077,368 4.312,369 1.565,370 2.887,371 1.532,372 3.788,373 2.495,374 1.532,375 2.039,377 3.507,378 1.474,379 2.856,380 1.5,381 3.621,382 2.407,383 1.425,384 1.986,386 3.025,387 1.394,388 2.684,389 1.434,390 3.599,391 2.362,392 1.378,393 1.695,395 2.957,396 1.353,397 2.121,398 1.232,399 3.312,400 1.987,401 1.047,402 1.105,404 2.26,405 0.981,406 1.885,407 0.804,408 3.148,409 1.666,410 0.694,411 0.805,413 1.59,414 0.671,415 1.847,416 0.557,417 3,418 1.295,419 0.347,420 0.521,422 0.86,423 0.328,424 1.401,425 0.347,426 2.804,427 1.249,428 0.319,429 0.339,431 0.721,432 0.295,433 0.907,434 -0.049,435 2.374,436 0.687,437 -0.256,438 -0.28,440 -0.609,441 -0.24,442 0.712,443 -0.301,444 2.167,445 0.353,446 -0.603,447 -0.686,449 -1.407,450 -0.566,451 11.933,452 0.477,453 0.376,454 0.015,455 31.5,456 1.26,457 15,458 0.6,459 16.5,460 0.66,461 19.442,462 0.778,463 27.067,464 0.552,465 19.096,466 0.764,467 6.07,468 0.243,469 6.312,470 0.252,473 0.251,479 1.018,480 1.317,481 0.876,482 1.086,483 0.93,484 0.978,485 1.076,486 1.154,487 1.02,488 1.15,489 0.944,490 1.091,491 1.385,492 1.022,493 1.02,494 0.951,495 1.172,496 0.95,497 1.397,498 0.983,499 1.136,500 0.983,501 1.263,502 1.024,503 1.142,504 0.997,505 1.078,506 0.98,507 1.089,508 1.012,509 0.886,510 0.871,511 1.029,512 0.974,513 0.918,514 1.011,515 0.806,516 0.974,517 0.977,518 0.988,519 0.869,520 1.002,521 0.857,522 1.017,523 0.99,524 1.012,525 0.955,526 1.012,527 3.5,528 0.093,529 1.778,530 1.104,531 0.898,532 0.278,533 0.191,534 0.106,535 0.128,536 0.041,537 9701,538 20942,539 2.204,540 49,541 2,542 15,545 3,547 2,548 2,550 1.667,551 2.174,552 3.639,553 0.926,555 1,559 70.643,560 1.442,561 3.418,562 4.441,563 5.207,564 5.37,565 5.37,566 3.063,567 4.084,568 4.623,569 3.822,570 1146.63,571 7.918,572 15417,574 1,576 1,577 275.121,578 0.795,579 4.619,580 0.125,581 0.005,582 0.048,583 0.032,584 0.035,585 0.013,586 0.01,587 0.006,588 0.008,589 0.002,590 0.285,591 0.33,592 1,594 125.842,595 -0.049,596 -0.095,597 0.061,598 -0.009,599 -0.011,600 0.034,601 0.073,602 -0.026,603 -0.051,604 -0.129,605 0.091,606 -0.11,607 -0.059,608 -0.036,609 -0.01,610 0.006,611 -0.006,612 0.004,613 -0.153,614 -0.01,615 -0.127,616 -0.045,617 -0.144,618 -0.079,619 -0.13,620 -0.05,621 -0.084,622 -0.037,623 -0.125,624 -0.053,625 0.013,626 0.066,627 -0.047,628 -0.016,629 -0.024,630 -0.037,631 0.064,632 -0.057,633 0.001,634 -0.021,635 0.001,636 -0.02,637 -0.038,638 -0.08,639 -0.016,640 -0.046,641 -0.082,642 -0.031,643 1.057,644 2.548,645 0.76,646 22.931,647 0.991,648 1.13,649 2.811,650 7.9,651 0.655,652 3.367,653 3.638,654 3.892,655 4.143,656 4.331,657 4.277,658 4.317,659 4.357,660 4.248,661 4.094,662 7.713,663 0.614,664 336.48,665 3.367,666 4.875,667 5.707,668 6.558,669 7.405,670 8.263,671 9.116,672 9.976,673 10.833,674 11.694,675 8.2,677 1,680 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,707 1,712 1,714 49,716 16,717 2,718 28,720 52,721 20,722 13,723 4,724 8,730 4,731 6,740 3,743 4,745 13,746 7,760 1,761 1,764 24,765 4,766 3,767 5,770 1,773 4,777 0.5,778 1,792 1,793 3,796 1,797 1,814 1,819 2,827 25,833 6,834 2,835 1,837 1,847 2,852 1,854 11.5,855 8.367,856 5.556,857 3.093,858 2.981,859 1.404,860 1.018,861 5.188,862 10.363,863 3.611,864 4.171,865 4.742,866 5.319,867 5.781,868 5.894,869 6.17,870 6.448,871 6.049,872 5.894,873 1,874 34,875 9.251,877 3.881,878 7.447,879 18.304,881 15.228,883 1.947,884 48.667,886 1,887 1,888 247.193,889 104.347,890 69.593,892 11,895 104.347,896 258.193,897 69.593,899 13.921,900 93.821,901 34.796,902 40.258,903 2.144,904 247.193,906 247.193,907 173.94,908 11,911 200.109,912 58.084,915 52.76,916 86.383,917 34.796,919 247.193,920 80.592,921 104.347,924 247.193,925 28.537,926 75.81,927 52.807,928 27.785,929 247.193,930 80.592,931 104.347,933 0.563,934 0.324,935 0.182,936 0.1,937 18,938 6,939 0.135,940 7,941 2,942 1.211,943 4.087,944 193.076,945 0.211,946 19,947 116.096,951 16.431,952 7.894,953 4.142,954 2.065,955 63.807,956 16.413,957 4.518,958 3.285,961 3.217,963 52.807,964 432.133,965 36,975 48.571,976 55.355,977 0.257,978 0.609,979 0.791,980 0.927,981 0.956,982 0.956,983 4.812,984 1.425,985 5.638,986 3.507,987 4.317,988 4.856,989 1.138,990 6.375,991 4.229,992 5.969,993 1.378,994 7.136,995 3.025,996 3.611,997 4.477,999 7.081,1000 3.459,1001 7.241,1002 1.047,1003 8.736,1004 2.957,1005 5.826,1006 7.026,1007 0.787,1008 10.19,1009 5.644,1010 8.552,1011 0.694,1012 10.399,1013 2.26,1014 6.019,1015 7.597,1017 11.795,1018 5.766,1019 9.904,1020 0.347,1021 12.104,1022 1.59,1023 7.616,1024 9.548,1025 0.602,1026 14.355,1027 7.342,1028 11.283,1029 0.319,1030 13.84,1031 0.86,1032 8.263,1033 10.583,1035 16.328,1036 7.921,1037 12.686,1038 -0.256,1039 15.596,1040 0.721,1041 9.579,1042 12.269,1043 0.471,1044 18.69,1045 9.212,1046 2.982,1047 -0.603,1048 17.368,1049 -0.609,1050 10.454,1051 13.53,1053 20.817,1054 10.024,1055 2.923,1056 9.472,1057 19.152,1058 -1.407,1059 11.639,1060 15.095,1061 0.367,1062 23.103,1063 11.179,1064 2.305,1065 9.226,1066 20.944,1067 4.401,1068 12.624,1069 16.464,1071 25.293,1072 12.107,1073 2.171,1074 6.678,1075 22.743,1076 3.815,1077 13.752,1078 17.975,1079 0.283,1080 27.55,1081 13.199,1082 1.698,1083 6.245,1084 24.547,1085 2.846,1086 14.789,1087 19.397,1089 29.767,1090 14.183,1091 1.618,1092 4.371,1093 26.356,1094 2.443,1095 15.891,1096 20.885,1097 0.217,1098 32.013,1099 15.245,1100 1.532,1101 4.312,1102 28.168,1103 2.298,1104 16.953,1105 22.332,1107 34.241,1108 16.256,1109 8844,1110 13111,1111 19.761,1112 32.091,1113 41.002,1114 41.062,1115 41.122,1116 40.883,1117 40.876,1118 52.738,1119 3.32,1120 110.447,1121 39.083,1122 5.415,1123 5.256,1124 6.067,1125 5.029,1126 4.982,1127 7.401,1128 1.72,1129 15.781,1130 4.836,1132 1.464,1133 1.466,1134 1.469,1135 1.46,1136 1.46,1137 1.883,1138 0.119,1139 3.945,1140 1.396,1141 4.098,1142 4.146,1143 4.06,1144 3.971,1145 5.078,1146 3.986,1147 3.978,1148 4.004,1149 3.911,1150 3.892,1151 4.859,1152 3.892,1153 3.702,1154 3.775,1155 3.563,1156 3.535,1157 4.419,1158 3.531,1159 3.546,1160 3.609,1161 3.417,1162 3.402,1163 4.375,1164 3.394,1165 3.386,1166 3.458,1167 3.265,1168 3.199,1169 4.181,1170 3.212,1171 3.194,1172 3.282,1173 3.017,1174 3.008,1175 3.899,1176 2.999,1177 2.967,1178 3.043,1179 2.819,1180 2.778,1181 3.852,1182 2.772,1183 2.91,1184 2.976,1185 2.79,1186 2.757,1187 3.818,1188 2.758,1189 0.159,1190 0.116,1191 0.223,1192 0.14,1193 0.106,1194 4.458,1195 0.157,1196 3.256,1197 0.031,1198 6.243,1199 0.338,1200 3.932,1201 0.101,1202 2.982,1203 4.401,1204 0.86,1205 9.472,1206 2.836,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.91,1214 1.881,1215 2.011,1216 2.008,1217 1.21,1218 2.011,1219 1.695,1220 1.623,1221 1.927,1222 1.912,1223 1.096,1224 1.92,1225 1.558,1226 1.497,1227 1.784,1228 1.761,1229 0.996,1230 1.763,1231 1.371,1232 1.292,1233 1.569,1234 1.624,1235 0.752,1236 1.623,1237 1.181,1238 1.102,1239 1.45,1240 1.425,1241 0.573,1242 1.448,1243 0.958,1244 0.898,1245 1.256,1246 1.205,1247 0.391,1248 1.226,1249 0.922,1250 0.854,1251 1.133,1252 1.126,1253 0.243,1254 1.131,1255 4.043,1257 5.323,1258 2.398,1259 6.799,1260 4.727,1261 8.368,1262 6.823,1263 9.987,1271 5.993,1272 6.851,1273 6.048,1275 0.276,1280 30.068,1281 70.643,1282 167.505,1283 217.611,1284 255.121,1285 263.121,1286 263.121,1287 29.88,1288 7.382,1289 61.97,1290 61.97,1291 23,1292 12.244,1293 4.087,1294 3.17,1295 36.503,1296 120,1297 84,1298 0.144,1299 183.725,1300 306.73,1301 440.05,1302 19608,1304 16.899,1305 0.676,1306 0.572,1307 16.899,1308 14.294,1309 12.382,1310 0.442,1311 0.322,1312 8.917,1313 11.996,1314 8.78,1315 7.256,1316 12.382,1317 9.022,1318 10.617,1319 0.287,1320 0.175,1321 10.617,1322 6.473,1323 8.962,1324 0.187,1325 0.096,1326 8.962,1327 4.586,1328 7.546,1329 0.122,1330 0.052,1331 7.546,1332 3.244,1333 6.134,1334 0.082,1335 0.03,1336 6.134,1337 2.269,1338 0.241,1339 76.88,1340 0.225,1341 25.361,1342 0.358,1343 130,1344 316.379,1345 141.59,1346 308.797,1347 437.51,1348 294,1349 150,1350 334.251,1351 161.896,1352 336.161,1353 492.85,1354 320,1355 6} {0 CHEMBL315772,1 1.483,2 7.304,3 4.308,4 18.556,5 95.458,6 7.474,7 0.462,8 3.886,9 4.003,10 3.479,11 3.469,12 4.86,13 3.423,14 4.469,15 4.647,16 3.885,17 3.898,18 5.364,19 3.841,20 4.763,21 4.947,22 4,23 4.123,24 5.64,25 4.027,26 4.908,27 5.15,28 4.015,29 4.143,30 5.708,31 4.032,32 4.882,33 5.103,34 3.97,35 4.123,36 5.728,37 4.004,38 4.793,39 5.047,40 3.788,41 4.017,42 5.583,43 3.843,44 4.565,45 4.826,46 3.52,47 3.785,48 5.366,49 3.594,50 4.384,51 4.647,52 3.314,53 3.578,54 5.226,55 3.367,56 0.074,57 0.614,58 9.398,59 4.202,60 7.413,61 5.71,62 0.149,63 1.054,64 19.09,65 7.115,66 14.672,67 9.706,68 0.277,69 1.345,70 27.732,71 10.205,72 24.811,73 13.668,74 0.305,75 1.509,76 33.189,77 11.853,78 28.521,79 16.402,80 0.4,81 1.426,82 32.368,83 11.701,84 35.48,85 15.557,86 0.263,87 1.285,88 33.248,89 11.204,90 28.809,91 15.382,92 0.17,93 1.021,94 26.843,95 9.206,96 23.407,97 12.77,98 0.214,99 0.827,100 24.572,101 7.543,102 23.988,103 10.49,104 12,105 38,106 0.259,107 0.559,108 0.755,109 0.825,110 0.852,111 0.86,112 3.191,113 0.977,114 -5.31,115 -5.2,116 -4.86,119 43.2,121 2,124 2,125 1,127 2,140 7,141 3,142 2,164 1,169 10,172 5,178 16,181 1,182 8,189 14,192 1,193 8,199 14,203 6,211 10,215 5,222 9,226 4,233 3,237 3,244 2,259 608,260 15.533,261 15.533,262 15.533,263 15.533,264 15.533,265 14.054,266 21.278,267 9.091,268 15.905,269 12.897,270 12.897,271 12.897,272 12.897,273 12.897,274 10.695,275 29.976,276 4.386,277 13.552,278 3.976,279 2.258,280 1.134,281 0.733,282 0.58,283 0.534,284 3.889,285 1,288 1,289 1,290 367,291 2.828,294 28.403,295 74.953,296 37.573,299 56.599,300 128.284,302 1.1,303 12.628,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 48.333,315 168,316 4.507,317 4.44,318 6.909,319 4.263,320 3.295,321 4.054,322 2.43,323 11.659,324 3.192,325 4.135,326 3.216,327 6.265,328 3.734,329 2.755,330 3.758,331 0.8,332 9.345,333 2.696,334 3.777,335 3.02,336 5.831,337 3.605,338 2.643,339 2.92,340 0.68,341 8.181,342 2.536,343 3.463,344 2.727,345 5.277,346 3.196,347 2.261,348 2.743,349 0.442,350 6.611,351 2.113,352 3.312,353 2.637,354 4.97,355 3.006,356 2.119,357 2.358,359 5.849,360 1.793,361 2.944,362 2.198,363 4.59,364 2.679,365 1.754,366 2.122,368 4.474,369 1.616,370 2.831,371 2.067,372 4.418,373 2.532,374 1.542,375 1.927,377 4.309,378 1.524,379 2.799,380 1.546,381 4.099,382 2.377,383 1.384,384 1.86,386 3.26,387 1.367,388 2.372,389 1.372,390 3.722,391 2.019,392 1.034,393 1.341,395 2.75,396 1.017,397 1.938,398 1.06,399 3.575,400 1.768,401 0.784,402 0.881,404 2.199,405 0.769,406 1.53,407 0.733,408 3.021,409 1.242,410 0.293,411 0.348,413 0.74,414 0.259,415 1.032,416 0.147,417 2.704,418 0.717,419 -0.234,420 -0.269,422 -0.591,423 -0.202,424 0.737,425 0.04,426 2.538,427 0.615,428 -0.318,429 -0.337,431 -0.877,432 -0.294,433 0.679,434 -0.158,435 2.365,436 0.267,437 -0.628,438 -0.745,440 -1.711,441 -0.484,442 0.559,443 -0.419,444 2.186,445 0.139,446 -0.851,447 -1,449 -2,450 -0.841,451 11.348,452 0.493,453 0.644,454 0.028,455 27.5,456 1.196,457 12.5,458 0.543,459 15,460 0.652,461 21.029,462 0.914,463 24.652,464 0.56,465 18.452,466 0.802,467 5.34,468 0.232,469 5.775,470 0.251,471 0.151,473 0.379,479 0.622,480 1.277,481 0.648,482 0.997,483 0.707,484 0.949,485 1.185,486 1.006,487 0.724,488 0.81,489 0.779,490 0.815,491 1.279,492 1.139,493 1,494 1.059,495 1.123,496 1.071,497 0.924,498 0.927,499 0.721,500 0.899,501 0.721,502 0.876,503 1.354,504 0.981,505 0.826,506 0.928,507 1.063,508 0.97,509 1.042,510 0.973,511 1.112,512 0.994,513 1.092,514 1.023,515 0.776,516 1.091,517 1.128,518 1.09,519 0.968,520 1.083,521 0.882,522 1.015,523 1.412,524 1.176,525 1.208,526 1.161,527 5,529 2.222,530 1.785,531 1.761,532 0.841,533 0.567,534 0.355,535 0.229,536 0.063,537 4917,538 11548,539 2.141,540 47.7,541 2,542 17,548 2,550 1.667,551 2,552 2.884,553 -0.815,555 1,559 65.266,560 1.483,561 3.201,562 4.325,563 4.726,564 4.88,565 4.925,566 2.248,567 4.176,568 4.492,569 3.024,570 765.038,571 7.79,572 8280.68,574 1,576 1,577 240.215,578 1.422,579 4.454,580 0.192,582 0.058,583 0.044,584 0.043,585 0.023,586 0.02,587 0.017,588 0.015,589 0.01,590 0.423,591 0.67,592 1,593 0.973,594 103.612,595 0.186,596 -0.114,597 0.053,598 -0.032,600 0.002,601 -0.103,602 0.123,603 0.056,604 0.119,605 0.028,606 0.111,607 -0.093,608 -0.086,609 -0.129,610 -0.101,611 -0.144,612 -0.127,613 0.075,614 0.076,615 0.095,616 0.041,617 0.125,618 0.081,619 -0.057,620 -0.009,621 0.001,622 0.024,623 -0.012,624 -0.02,625 -0.097,626 -0.016,627 -0.043,628 -0.004,629 -0.069,630 -0.036,631 -0.022,632 -0.154,633 -0.039,634 -0.084,635 -0.003,636 -0.077,637 -0.019,638 -0.073,639 -0.136,640 -0.156,641 -0.066,642 -0.156,643 1.131,644 2.828,645 0.783,646 16.491,647 0.993,648 1.121,649 4.08,650 16.646,651 0.68,652 3.296,653 3.664,654 3.97,655 4.344,656 4.654,657 4.875,658 5.088,659 5.236,660 5.361,661 5.394,662 4.709,663 0.633,664 328.87,665 3.296,666 4.86,667 5.733,668 6.648,669 7.549,670 8.472,671 9.387,672 10.313,673 11.234,674 12.162,675 4.5,678 1,681 1,688 7,693 5,695 12,706 1,713 1,714 44,716 12,717 2,718 26,720 47,721 19,722 12,723 5,724 7,730 4,731 11,732 1,740 4,743 4,745 12,746 7,761 1,764 21,765 3,767 4,768 1,773 2,777 0.25,778 1,792 1,793 2,794 1,797 1,798 2,815 1,819 1,823 2,824 1,827 23,833 3,835 1,837 2,838 2,846 1,847 2.3,851 1,854 11.5,855 8.46,856 4.889,857 2.644,858 2.509,859 1.325,860 0.996,861 3.897,862 10.224,863 3.497,864 4.078,865 4.615,866 5.192,867 5.754,868 6.014,869 6.423,870 6.838,871 7.21,872 7.51,873 0.8,874 41,875 8.52,877 3.66,878 7.461,879 16.86,881 14.504,883 1.961,884 45.111,885 0.001,887 1,888 247.193,889 106.115,890 8.863,891 39.149,892 11.219,895 106.115,896 297.561,897 8.863,898 16.793,899 7.175,900 66.334,901 11.219,902 24.677,904 247.193,905 39.149,906 247.193,907 114.978,908 11.219,909 39.149,911 223.651,912 23.542,913 11.219,915 10.299,916 104.679,917 39.149,919 247.193,920 20.082,921 145.264,924 247.193,925 22.989,926 91.989,928 50.367,929 247.193,930 20.082,931 145.264,933 0.588,934 0.332,935 0.198,936 0.12,937 21,938 9,939 0.043,940 2,941 3,942 1.333,943 3.387,944 203.176,945 0.333,946 18,947 100.042,951 15.156,952 5.914,953 2.787,955 20.082,956 14.846,961 5.904,964 412.539,965 32,975 43.691,976 49.302,977 0.272,978 0.586,979 0.792,980 0.866,981 0.894,982 0.902,983 4.771,984 1.384,985 5.74,986 4.309,987 4.344,988 4.762,989 2.665,990 6.6,991 4.255,992 5.962,993 1.034,994 7.321,995 3.26,996 4.007,997 4.527,998 1.494,999 7.564,1000 3.834,1001 7.265,1002 0.784,1003 9,1004 2.75,1005 5.974,1006 6.866,1007 4.123,1008 10.721,1009 5.819,1010 8.598,1011 0.293,1012 10.74,1013 2.199,1014 6.431,1015 7.413,1016 3.425,1017 12.537,1018 6.215,1019 9.963,1020 -0.234,1021 12.519,1022 0.74,1023 7.898,1024 9.271,1025 5.801,1026 15.218,1027 7.688,1028 11.351,1029 -0.318,1030 14.326,1031 -0.591,1032 8.733,1033 10.2,1034 5.424,1035 17.394,1036 8.478,1037 12.757,1038 -0.628,1039 16.155,1040 -0.877,1041 10.005,1042 11.837,1043 7.512,1044 19.915,1045 9.742,1046 3.295,1047 -0.851,1048 18.001,1049 -1.711,1050 11.022,1051 12.969,1052 7.37,1053 22.245,1054 10.721,1055 2.755,1056 11.659,1057 19.86,1058 -2,1059 12.222,1060 14.492,1061 9.233,1062 24.713,1063 11.903,1064 2.643,1065 9.345,1066 21.73,1067 4.054,1068 13.325,1069 15.734,1070 9.273,1071 27.11,1072 12.972,1073 2.261,1074 8.181,1075 23.609,1076 3.758,1077 14.503,1078 17.195,1079 10.961,1080 29.563,1081 14.126,1082 2.119,1083 6.611,1084 25.495,1085 2.92,1086 15.647,1087 18.499,1088 11.144,1089 31.99,1090 15.237,1091 1.754,1092 5.849,1093 27.387,1094 2.743,1095 16.822,1096 19.926,1097 12.694,1098 34.44,1099 16.384,1100 1.542,1101 4.474,1102 29.284,1103 2.358,1104 17.986,1105 21.265,1106 12.994,1107 36.88,1108 17.516,1109 4741,1110 7373,1111 17.512,1112 29.938,1113 40.139,1114 41.857,1115 41.049,1116 39.946,1117 39.723,1118 48.624,1119 8.704,1120 118.754,1121 37.764,1122 5.446,1123 6.44,1124 6.591,1125 5.309,1126 5.295,1127 7.054,1128 4.661,1129 19.147,1130 5.192,1131 10.416,1132 1.544,1133 1.61,1134 1.579,1135 1.536,1136 1.528,1137 1.87,1138 0.335,1139 4.567,1140 1.452,1141 4.075,1142 4.103,1143 4.071,1144 4.002,1145 4.961,1146 4.001,1147 3.802,1148 3.825,1149 3.858,1150 3.76,1151 4.756,1152 3.75,1153 3.737,1154 3.796,1155 3.633,1156 3.561,1157 4.6,1158 3.568,1159 3.478,1160 3.558,1161 3.394,1162 3.249,1163 4.291,1164 3.254,1165 3.18,1166 3.231,1167 3.296,1168 3.093,1169 4.215,1170 3.072,1171 2.989,1172 3.071,1173 2.851,1174 2.836,1175 3.705,1176 2.82,1177 2.874,1178 3.009,1179 2.814,1180 2.727,1181 3.682,1182 2.719,1183 2.856,1184 2.917,1185 2.725,1186 2.639,1187 3.616,1188 2.622,1189 0.173,1190 0.171,1191 0.266,1192 0.164,1193 0.127,1194 4.507,1195 0.156,1196 4.44,1197 0.093,1198 6.909,1199 0.448,1200 4.263,1201 0.123,1202 3.295,1203 4.054,1204 2.43,1205 11.659,1206 3.192,1207 1.96,1208 1.938,1209 2.067,1210 2.025,1211 1.327,1212 2.041,1213 1.876,1214 1.853,1215 1.963,1216 1.962,1217 1.215,1218 1.968,1219 1.656,1220 1.59,1221 1.888,1222 1.889,1223 1.086,1224 1.894,1225 1.394,1226 1.316,1227 1.678,1228 1.599,1229 0.847,1230 1.63,1231 1.19,1232 1.143,1233 1.428,1234 1.435,1235 0.609,1236 1.418,1237 1.156,1238 1.096,1239 1.417,1240 1.332,1241 0.605,1242 1.37,1243 0.934,1244 0.804,1245 1.393,1246 1.239,1247 0.469,1248 1.308,1249 0.843,1250 0.783,1251 1.124,1252 1.029,1253 0.257,1254 1.068,1255 3.97,1257 5.323,1258 2.398,1259 6.86,1260 4.844,1261 8.487,1262 7.066,1263 10.168,1265 4.178,1266 6.262,1271 2.851,1273 6.328,1275 0.462,1276 4.281,1280 27.853,1281 65.266,1282 140.854,1283 190.299,1284 207.95,1285 214.705,1286 216.705,1287 29.542,1288 7.715,1289 15.71,1290 15.71,1291 24,1292 12.667,1293 3.7,1294 2.807,1295 31.477,1296 66,1297 67,1298 0.251,1299 171.805,1300 296.18,1301 410.963,1302 22296,1303 2.3,1304 15.974,1305 0.695,1306 0.62,1307 16.474,1308 14.254,1309 11.114,1310 0.427,1311 0.326,1312 8.025,1313 10.484,1314 7.723,1315 6.384,1316 11.403,1317 8.464,1318 10.581,1319 0.278,1320 0.188,1321 10.989,1322 7.152,1323 8.549,1324 0.164,1325 0.095,1326 8.811,1327 4.916,1328 7.845,1329 0.103,1330 0.051,1331 8.065,1332 3.898,1333 6.782,1334 0.065,1335 0.028,1336 7.073,1337 2.921,1338 0.369,1339 71.996,1340 0.239,1341 21.67,1342 0.768,1343 128,1344 307.229,1345 151.89,1346 329.555,1347 452.87,1348 310,1349 154,1350 323.441,1351 174.348,1352 337.646,1353 496.91,1354 317,1355 6.87} {0 CHEMBL316069,1 1.235,2 5.765,3 2.277,4 5.186,5 72.573,6 6.172,7 0.3,8 3.709,9 3.848,10 3.165,11 3.272,12 4.502,13 3.211,14 4.361,15 4.573,16 3.569,17 3.769,18 5.056,19 3.682,20 4.675,21 4.911,22 3.624,23 3.995,24 5.315,25 3.849,26 4.811,27 5.095,28 3.496,29 3.982,30 5.384,31 3.791,32 4.693,33 5,34 3.183,35 3.777,36 5.251,37 3.554,38 4.404,39 4.715,40 2.762,41 3.449,42 4.953,43 3.193,44 4.124,45 4.5,46 2.031,47 2.948,48 4.578,49 2.636,50 3.287,51 3.626,52 0.919,53 2.205,54 3.75,55 1.831,56 0.048,57 0.558,58 9.39,59 3.684,60 5.036,61 5.461,62 0.143,63 1.003,64 18.172,65 6.381,66 8.531,67 9.781,68 0.144,69 1.284,70 24.306,71 9.635,72 11.231,73 14.233,74 0.168,75 1.364,76 27.471,77 10.707,78 13.547,79 15.934,80 0.189,81 1.166,82 24.312,83 9.284,84 13.86,85 13.85,86 0.1,87 0.847,88 17.935,89 7.131,90 10.71,91 10.573,92 0.112,93 0.579,94 13.44,95 4.704,96 8.586,97 7.258,98 0.027,99 0.243,100 5.584,101 2.363,102 3.66,103 3.439,104 2,105 30,106 0.228,107 0.517,108 0.763,109 0.867,110 0.877,111 0.877,112 2.913,113 1.032,114 -4.13,115 -4.08,116 -3.86,119 40.5,121 2,122 2,124 1,125 4,140 3,141 2,142 1,169 8,172 6,178 8,182 6,189 8,193 2,199 7,202 1,203 2,211 4,215 2,222 1,259 223,260 11.809,261 11.809,262 11.809,263 11.809,264 11.809,265 11.106,266 17.358,267 6.772,268 12.011,269 9.903,270 9.903,271 9.903,272 9.903,273 9.903,274 8.781,275 21.683,276 3.229,277 10.228,278 3.974,279 2.405,280 1.068,281 0.507,282 0.453,283 0.453,284 3.616,288 1,289 1,290 225,291 1.871,294 19.337,295 68.544,298 68.51,299 76.18,300 42.789,302 0.865,303 4.809,305 1,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 35,315 98,316 4.552,317 3.542,318 6.987,319 4.296,320 3.319,321 4.131,322 0.8,323 11.922,324 3.246,325 3.843,326 2.971,327 6.219,328 3.722,329 2.746,330 2.975,331 0.8,332 9.189,333 2.685,334 3.35,335 2.503,336 5.385,337 3.145,338 2.179,339 2.494,341 6.734,342 2.104,343 3.236,344 2.391,345 5.075,346 3.084,347 2.152,348 2.326,350 5.976,351 2,352 2.957,353 1.968,354 4.915,355 2.743,356 1.771,357 2.013,359 5.424,360 1.714,361 2.616,362 1.386,363 4.082,364 2.285,365 1.292,366 1.644,368 3.231,369 1.282,370 2.217,371 1.208,372 3.841,373 2.096,374 1.116,375 1.204,377 2.857,378 1.091,379 1.865,380 0.883,381 3.356,382 1.745,383 0.763,384 0.82,386 1.86,387 0.748,388 1.207,389 0.271,390 2.914,391 1.095,392 0.119,393 0.126,395 0.3,396 0.116,397 0.837,398 -0.152,399 2.657,400 0.552,401 -0.416,402 -0.46,404 -1.222,405 -0.401,406 0.647,407 -0.268,408 2.346,409 0.445,410 -0.519,411 -0.575,413 -1.305,414 -0.499,415 0.205,416 -0.753,417 2.31,418 0.034,419 -0.931,420 -1.051,422 -2.53,423 -0.895,424 0.182,425 -0.858,426 2,427 -0.029,428 -1,429 -1.126,431 -2.871,432 -0.967,433 -0.221,434 -1.03,435 1.84,436 -0.331,437 -1.276,438 -1.385,440 -3.474,441 -1.202,442 -0.475,443 -1.371,444 1.669,445 -0.617,446 -1.586,447 -1.695,449 -4.522,450 -1.533,451 8.3,452 0.488,453 0.432,454 0.025,455 18,456 1.059,457 6.5,458 0.382,459 11.5,460 0.676,461 15.628,462 0.919,463 18.7,464 0.505,465 9.064,466 0.533,467 3.057,468 0.18,469 5.269,470 0.31,471 0.06,473 0.398,479 0.999,480 1.448,481 0.942,482 1.165,483 0.902,484 1.07,485 1.787,486 0.971,487 1.042,488 0.859,489 1.055,490 0.893,491 1.038,492 1.156,493 1.113,494 1.148,495 1.011,496 1.137,497 0.911,498 1.05,499 1.014,500 1.052,501 0.939,502 1.042,503 0.963,504 0.915,505 1.035,506 0.994,507 1.061,508 1.015,509 0.642,510 1.145,511 1.031,512 1.163,513 1.016,514 1.13,515 1.237,516 0.569,517 0.866,518 0.654,519 1.054,520 0.721,521 0.371,522 1.107,523 1.133,524 1.275,525 1.405,526 1.259,527 3,529 2,530 1.285,531 1.132,532 0.341,533 0.223,534 0.069,537 2287,538 3566,539 2.269,540 54.1,542 14,547 6,550 1.577,551 2.17,552 2.599,553 -0.865,555 1,556 1,557 1,559 45.708,560 1.235,561 2.804,562 4.142,563 4.703,564 4.757,565 4.757,566 1.921,567 3.69,568 4.067,569 2.619,570 356.24,571 6.909,572 3060.77,573 1,574 1,576 1,577 192.75,578 1.253,579 4.04,580 0.15,582 0.067,583 0.043,584 0.045,585 0.02,586 0.022,587 0.017,590 0.364,591 1,592 1,593 0.481,594 66.974,595 0.15,596 -0.217,597 0.118,598 -0.043,599 0.176,600 0.021,601 -0.214,602 0.203,603 0.018,604 0.15,605 -0.038,606 0.108,607 -0.088,608 -0.101,609 -0.12,610 -0.117,611 -0.098,612 -0.12,613 -0.023,614 -0.088,615 -0.049,616 -0.073,617 -0.025,618 -0.064,619 0.005,620 0.017,621 -0.076,622 -0.05,623 -0.055,624 -0.065,625 0.054,626 -0.26,627 -0.098,628 -0.204,629 -0.035,630 -0.169,631 -0.128,632 0.256,633 0.071,634 0.197,635 -0.014,636 0.156,637 0.001,638 -0.321,639 -0.248,640 -0.332,641 -0.362,642 -0.311,643 0.543,644 0.65,645 0.941,646 7.301,647 0.977,648 1.128,649 2.904,650 8.436,651 0.645,652 3.045,653 3.434,654 3.807,655 4.19,656 4.5,657 4.635,658 4.828,659 4.984,660 5.024,661 4.949,662 3.629,663 0.589,664 228.37,665 3.045,666 4.615,667 5.517,668 6.444,669 7.366,670 8.298,671 9.226,672 10.159,673 11.089,674 12.023,675 5.4,678 1,681 1,688 3,693 3,695 6,709 1,714 37,716 6,717 1,718 20,720 40,721 15,722 6,723 3,724 3,730 4,731 12,740 2,741 2,743 2,745 6,746 9,747 2,761 1,764 20,765 2,767 2,773 2,777 0.25,792 1,793 3,796 2,797 2,798 1,815 1,819 1,823 1,827 17,833 6,837 2,838 2,854 7.833,855 6.817,856 3.556,857 2.483,858 1.263,859 1.176,860 1.025,861 2.119,862 8.444,863 3.178,864 3.726,865 4.287,866 4.851,867 5.347,868 5.559,869 5.883,870 6.161,871 6.293,872 6.332,873 0.75,874 30,875 6.357,877 2.805,878 7.186,879 13.197,881 12.16,883 1.686,884 28.667,885 0.013,888 235.422,889 59.445,890 6.249,895 59.445,896 235.422,897 6.249,898 8.396,899 13.492,900 28.429,902 15.377,904 235.422,906 235.422,907 65.694,911 164.795,912 70.627,915 16.616,916 49.077,919 235.422,920 6.249,921 59.445,924 235.422,925 22.62,926 43.074,929 235.422,930 6.249,931 59.445,933 0.596,934 0.362,935 0.216,936 0.126,937 19,938 7,941 4,942 1.438,943 2.941,944 137.411,945 0.5,946 15,947 69.487,951 10.101,952 3.566,953 1.405,955 6.249,956 6.98,961 4.834,964 301.116,965 23,975 36.156,976 41.733,977 0.237,978 0.538,979 0.795,980 0.903,981 0.913,982 0.913,983 4.483,984 0.763,985 5.525,986 2.857,987 4.111,988 4.407,989 1.072,990 6.418,991 4.052,992 5.65,993 0.119,994 7.125,995 1.86,996 3.761,997 4.182,998 0.57,999 7.448,1000 3.667,1001 6.956,1002 -0.416,1003 8.826,1004 0.3,1005 5.771,1006 6.463,1007 0.653,1008 10.624,1009 5.662,1010 8.293,1011 -0.519,1012 10.588,1013 -1.222,1014 6.256,1015 7.1,1016 0.479,1017 12.513,1018 6.122,1019 9.67,1020 -0.931,1021 12.39,1022 -1.305,1023 7.745,1024 8.893,1025 0.432,1026 15.214,1027 7.595,1028 11.075,1029 -1,1030 14.221,1031 -2.53,1032 8.621,1033 9.937,1034 0.346,1035 17.454,1036 8.45,1037 12.502,1038 -1.276,1039 16.072,1040 -2.871,1041 9.912,1042 11.532,1043 0.291,1044 20,1045 9.723,1046 3.319,1047 -1.586,1048 17.941,1049 -3.474,1050 10.965,1051 12.769,1052 0.237,1053 22.38,1054 10.757,1055 2.746,1056 11.922,1057 19.822,1058 -4.522,1059 12.185,1060 14.275,1061 0.195,1062 24.875,1063 11.956,1064 2.179,1065 9.189,1066 21.713,1067 4.131,1068 13.317,1069 15.603,1070 0.158,1071 27.311,1072 13.068,1073 2.152,1074 6.734,1075 23.613,1076 2.975,1077 14.514,1078 17.066,1079 0.129,1080 29.791,1081 14.244,1082 1.771,1083 5.976,1084 25.52,1085 2.494,1086 15.68,1087 18.439,1088 0.104,1089 32.25,1090 15.388,1091 1.292,1092 5.424,1093 27.432,1094 2.326,1095 16.872,1096 19.881,1097 0.084,1098 34.726,1099 16.559,1100 1.116,1101 3.231,1102 29.349,1103 2.013,1104 18.053,1105 21.276,1106 0.068,1107 37.195,1108 17.718,1109 2142,1110 2720,1111 13.929,1112 23.864,1113 30.987,1114 30.864,1115 31.721,1116 30.962,1117 30.913,1118 35.464,1119 3.2,1120 94.987,1121 29.974,1122 5.552,1123 5.542,1124 6.513,1125 5.339,1126 5.319,1127 7.131,1128 1.2,1129 19.498,1130 5.246,1131 4.733,1132 1.549,1133 1.543,1134 1.586,1135 1.548,1136 1.546,1137 1.773,1138 0.16,1139 4.749,1140 1.499,1141 4.094,1142 4.133,1143 4.03,1144 4.01,1145 4.76,1146 4.01,1147 3.761,1148 3.823,1149 3.646,1150 3.632,1151 4.325,1152 3.627,1153 3.45,1154 3.517,1155 3.318,1156 3.302,1157 4.089,1158 3.296,1159 3.31,1160 3.395,1161 3.14,1162 3.118,1163 3.853,1164 3.113,1165 3.117,1166 3.201,1167 2.918,1168 2.968,1169 3.592,1170 2.945,1171 2.893,1172 3.007,1173 2.613,1174 2.672,1175 3.358,1176 2.64,1177 2.652,1178 2.734,1179 2.465,1180 2.511,1181 3.208,1182 2.491,1183 2.538,1184 2.636,1185 2.364,1186 2.415,1187 3.092,1188 2.394,1189 0.228,1190 0.177,1191 0.349,1192 0.215,1193 0.166,1194 4.552,1195 0.207,1196 3.542,1197 0.04,1198 6.987,1199 0.596,1200 4.296,1201 0.162,1202 3.319,1203 4.131,1204 0.8,1205 11.922,1206 3.246,1207 2,1208 1.968,1209 2.128,1210 2.111,1211 1.515,1212 2.12,1213 1.749,1214 1.701,1215 1.926,1216 1.877,1217 1.176,1218 1.896,1219 1.494,1220 1.414,1221 1.75,1222 1.735,1223 1.021,1224 1.746,1225 1.271,1226 1.188,1227 1.595,1228 1.49,1229 0.84,1230 1.532,1231 1.127,1232 1.051,1233 1.447,1234 1.323,1235 0.717,1236 1.37,1237 1.039,1238 0.953,1239 1.386,1240 1.276,1241 0.566,1242 1.319,1243 0.77,1244 0.68,1245 1.108,1246 1.007,1247 0.319,1248 1.049,1249 0.646,1250 0.571,1251 0.963,1252 0.84,1253 0.165,1254 0.886,1255 3.714,1257 5.081,1258 2.398,1259 6.666,1260 4.727,1261 8.356,1262 6.862,1263 10.105,1265 2.27,1271 7.743,1275 1.685,1276 5.155,1280 21.784,1281 45.708,1282 103.753,1283 153.24,1284 173.995,1285 175.995,1286 175.995,1287 16.201,1288 7.181,1289 6.48,1290 6.48,1291 23,1292 12.523,1293 2.807,1294 2,1295 20.821,1296 39,1297 34,1298 0.294,1299 129.888,1300 221.8,1301 308.688,1302 11071,1304 11.405,1305 0.671,1306 0.619,1307 11.405,1308 10.524,1309 8.326,1310 0.416,1311 0.344,1312 6.815,1313 8.122,1314 6.623,1315 5.424,1316 8.326,1317 6.88,1318 7.847,1319 0.262,1320 0.199,1321 7.847,1322 5.968,1323 7.069,1324 0.161,1325 0.112,1326 7.069,1327 4.931,1328 6.51,1329 0.1,1330 0.063,1331 6.51,1332 4.065,1333 5.767,1334 0.065,1335 0.037,1336 5.767,1337 3.322,1338 0.422,1339 51.231,1340 0.268,1341 16.271,1342 0.934,1343 100,1344 175.29,1345 104.163,1346 175.447,1347 255.75,1348 168,1349 124,1350 198.577,1351 129.662,1352 205.429,1353 307.85,1354 194,1355 5.4} {0 CHEMBL316081,1 1.78,2 12.219,3 5.233,4 27.382,5 133.455,6 8.856,7 0.583,8 4.125,9 4.22,10 4.001,11 3.783,12 5.144,13 3.715,14 4.691,15 4.846,16 4.403,17 4.217,18 5.89,19 4.13,20 4.923,21 5.089,22 4.511,23 4.393,24 5.975,25 4.274,26 5.03,27 5.22,28 4.389,29 4.403,30 6.077,31 4.252,32 5.034,33 5.248,34 4.4,35 4.314,36 6.147,37 4.177,38 4.923,39 5.125,40 4.284,41 4.206,42 6.019,43 4.084,44 4.815,45 5.02,46 4.227,47 4.109,48 6.039,49 3.991,50 4.722,51 4.931,52 4.055,53 4.057,54 5.741,55 3.916,56 0.088,57 0.842,58 11.681,59 5.412,60 15.177,61 6.111,62 0.408,63 1.436,64 25.492,65 9.71,66 52.312,67 10.787,68 0.383,69 1.759,70 33.682,71 12.841,72 32.84,73 14.451,74 0.307,75 1.895,76 45.6,77 16.747,78 40.503,79 18.628,80 0.547,81 1.798,82 44.328,83 15.324,84 79.079,85 17.207,86 0.477,87 1.65,88 41.443,89 12.943,90 62.221,91 14.523,92 0.709,93 1.498,94 31.848,95 11.087,96 80.353,97 13.094,98 0.311,99 1.375,100 32.989,101 11.592,102 41.767,103 13.452,104 26,105 54,106 0.289,107 0.611,108 0.764,109 0.846,110 0.846,111 0.846,112 3.503,113 1.086,114 -3.97,115 -3.92,116 -3.72,119 41.8,120 1,124 1,125 4,140 7,141 3,142 3,143 1,144 1,150 1,151 1,169 6,171 1,172 5,174 2,176 2,178 12,181 1,182 7,186 4,189 12,192 1,193 9,197 2,199 4,203 11,206 2,208 3,211 8,215 3,220 1,222 8,225 5,226 5,231 1,233 8,237 5,240 1,244 8,249 4,256 6,259 1670,260 21.281,261 21.281,262 21.281,263 21.281,264 21.281,265 18.549,266 20.901,267 12.11,268 22.021,269 17.763,270 17.763,271 17.763,272 17.763,273 17.763,274 13.524,275 23.594,276 5.771,277 19.07,278 4.002,279 2.017,280 1.076,281 0.573,282 0.573,283 0.573,284 4.207,285 1,289 1,290 866,291 3.536,294 67.284,295 345.249,298 131.484,299 138.995,302 1.732,303 34.126,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.333,315 391,316 4.94,317 4.713,318 7.441,319 4.396,320 3.492,321 4.865,322 0.8,323 13.079,324 3.156,325 4.558,326 3.281,327 6.702,328 4.113,329 3.144,330 4.48,331 0.8,332 10.89,333 3.046,334 4.438,335 3.129,336 6.494,337 3.908,338 2.949,339 4.309,341 10.07,342 2.813,343 3.817,344 2.831,345 5.798,346 3.544,347 2.605,348 3.184,350 7.953,351 2.442,352 3.643,353 2.732,354 5.411,355 3.234,356 2.301,357 3.06,359 6.752,360 2.147,361 3.532,362 2.551,363 5.123,364 3.122,365 2.213,366 2.894,368 6.072,369 2.001,370 3.338,371 2.296,372 5.044,373 3.02,374 2.087,375 2.623,377 6.001,378 1.923,379 3.286,380 1.991,381 4.954,382 2.768,383 1.843,384 2.416,386 5.575,387 1.621,388 2.925,389 1.664,390 4.638,391 2.504,392 1.547,393 2.118,395 4.491,396 1.477,397 2.863,398 1.492,399 4.575,400 2.377,401 1.419,402 2.006,404 4.296,405 1.358,406 2.778,407 1.392,408 3.984,409 2.274,410 1.347,411 1.832,413 3.327,414 1.226,415 2.235,416 1.146,417 3.589,418 1.967,419 1,420 1.135,422 2.275,423 0.965,424 2.187,425 0.966,426 3.414,427 1.787,428 0.818,429 1.056,431 2.005,432 0.79,433 2,434 0.86,435 3.378,436 1.661,437 0.757,438 1,440 1.894,441 0.66,442 1.397,443 0.579,444 3.208,445 1.048,446 0.095,447 0.115,449 0.249,450 0.089,451 16.148,452 0.505,453 1.029,454 0.032,455 43,456 1.344,457 22,458 0.688,459 21,460 0.656,461 29.908,462 0.935,463 33.652,464 0.612,465 33.1,466 1.034,467 7.972,468 0.249,469 7.343,470 0.229,471 0.147,472 0.052,473 0.328,479 0.553,480 1.311,481 0.688,482 1.035,483 0.632,484 0.873,485 0.782,486 0.909,487 0.675,488 0.676,489 0.487,490 0.718,491 0.979,492 1.011,493 0.952,494 0.984,495 0.86,496 0.968,497 0.845,498 1.196,499 1.149,500 1.296,501 0.805,502 1.125,503 1.259,504 0.904,505 0.795,506 0.837,507 1.483,508 0.888,509 1.334,510 1.076,511 0.957,512 0.99,513 1.452,514 0.998,515 0.755,516 0.876,517 0.805,518 0.881,519 0.86,520 0.948,521 0.875,522 1.016,523 0.964,524 1.081,525 0.956,526 0.979,527 8,528 0.23,529 4.667,530 3.007,531 2.552,532 1.101,533 1.106,534 0.564,535 0.457,536 0.31,537 14351,538 40160,539 2.108,540 41.8,541 3,542 18,544 1,545 1,550 1.746,551 1.949,552 3.563,553 -0.31,559 97.891,560 1.78,561 3.764,562 4.706,563 5.208,564 5.208,565 5.208,566 3.031,567 4.726,568 4.973,569 3.697,570 1833.77,571 8.704,572 26067.7,577 317.975,578 1.617,579 4.916,580 0.222,581 0.008,582 0.086,583 0.054,584 0.049,585 0.023,586 0.025,587 0.014,588 0.012,589 0.009,590 0.503,591 0.33,592 0.75,593 0.575,594 166.839,595 0.085,596 -0.183,597 0.132,598 -0.059,599 -0.133,600 0.019,601 0.128,602 0.206,603 0.146,604 0.241,605 0.279,606 0.172,607 -0.076,608 0.053,609 0.001,610 0.009,611 -0.041,612 -0.029,613 -0.003,614 -0.189,615 -0.112,616 -0.197,617 0.078,618 -0.116,619 -0.078,620 0.05,621 0.115,622 0.128,623 -0.069,624 0.089,625 -0.156,626 -0.083,627 -0.018,628 -0.04,629 -0.153,630 -0.047,631 0.334,632 0.144,633 0.069,634 0.027,635 0.235,636 -0.012,637 0.009,638 -0.035,639 0.001,640 -0.045,641 -0.008,642 0.028,643 4.664,644 6.271,645 0.781,646 29.898,647 1.007,648 1.115,649 2.737,650 7.49,651 0.722,652 3.611,653 4.007,654 4.304,655 4.615,656 4.883,657 4.97,658 5.124,659 5.268,660 5.308,661 5.361,662 6.979,663 0.672,664 487.09,665 3.611,666 5.198,667 6.075,668 6.991,669 7.886,670 8.805,671 9.708,672 10.627,673 11.534,674 12.454,675 7.3,678 1,680 1,681 1,685 1,687 4,688 8,689 1,692 1,693 5,695 21,709 1,713 1,714 55,716 23,717 2,718 36,720 59,721 23,722 17,723 6,724 6,730 5,731 7,732 1,736 1,745 17,746 6,750 2,753 1,755 2,764 23,765 6,766 1,767 9,768 3,773 4,777 0.6,778 2,786 1,792 1,793 4,796 1,797 1,815 1,819 3,821 2,823 2,824 1,827 32,830 1,833 4,834 1,838 2,842 1,846 1,847 3.6,850 2,854 16.417,855 10.576,856 6.708,857 3.233,858 4.271,859 1.51,860 1.041,861 5.784,862 12.644,863 3.902,864 4.613,865 5.229,866 5.89,867 6.488,868 6.864,869 7.289,870 7.709,871 7.941,872 8.11,873 1,874 56,875 12.134,877 5.558,878 7.73,879 22.965,881 19.798,883 2.23,884 71.361,888 258.964,889 158.346,890 39.439,891 39.149,892 44.313,894 37.085,895 121.261,896 342.426,897 39.439,898 17.222,899 8.423,900 72.141,901 89.275,902 34.786,903 0.746,904 278.471,905 39.149,906 258.964,907 160.7,908 44.313,909 76.234,911 258.964,912 44.313,915 31.564,916 95.946,917 78.147,918 31.278,919 258.964,920 83.752,921 197.495,923 5.807,924 258.964,925 59.936,926 98.851,927 16.405,928 100.247,929 258.964,930 83.752,931 197.495,933 0.602,934 0.352,935 0.192,936 0.111,937 29,938 13,939 0.068,940 4,941 2,942 1.16,943 4.209,944 312.227,945 0.16,946 25,947 152,948 1,950 1,951 21.899,952 8.453,953 4.225,954 3.546,955 83.752,956 14.777,957 4.474,960 1.254,961 3.21,963 16.405,964 540.211,965 48.5,968 -3.748,970 26.541,975 55.374,976 61.348,977 0.308,978 0.651,979 0.814,980 0.901,981 0.901,982 0.901,983 5.178,984 1.843,985 6.116,986 6.001,987 4.691,988 5.301,989 1.072,990 7.009,991 4.557,992 6.444,993 1.547,994 7.732,995 5.575,996 4.511,997 5.453,998 0.57,999 8.202,1000 4.278,1001 7.814,1002 1.419,1003 9.456,1004 4.491,1005 6.405,1006 7.701,1007 0.653,1008 11.293,1009 6.143,1010 9.225,1011 1.347,1012 11.246,1013 4.296,1014 7.013,1015 8.659,1016 0.479,1017 13.314,1018 6.647,1019 10.671,1020 1,1021 13.079,1022 3.327,1023 8.446,1024 10.453,1025 0.432,1026 16.004,1027 8.044,1028 12.143,1029 0.818,1030 14.944,1031 2.275,1032 9.398,1033 11.752,1034 0.346,1035 18.344,1036 8.892,1037 13.636,1038 0.757,1039 16.834,1040 2.005,1041 10.674,1042 13.388,1043 0.291,1044 20.923,1045 10.114,1046 3.492,1047 0.095,1048 18.742,1049 1.894,1050 11.777,1051 14.831,1052 0.237,1053 23.386,1054 11.117,1055 3.144,1056 13.079,1057 20.665,1058 0.249,1059 13.003,1060 16.409,1061 0.195,1062 25.938,1063 12.273,1064 2.949,1065 10.89,1066 22.601,1067 4.865,1068 14.172,1069 17.914,1070 0.158,1071 28.453,1072 13.343,1073 2.605,1074 10.07,1075 24.546,1076 4.48,1077 15.388,1078 19.473,1079 0.129,1080 31.002,1081 14.477,1082 2.301,1083 7.953,1084 26.5,1085 4.309,1086 16.587,1087 21.005,1088 0.104,1089 33.541,1090 15.578,1091 2.213,1092 6.752,1093 28.461,1094 3.184,1095 17.805,1096 22.559,1097 0.084,1098 36.094,1099 16.705,1100 2.087,1101 6.072,1102 30.427,1103 3.06,1104 19.019,1105 24.104,1106 0.068,1107 38.645,1108 17.82,1109 13341,1110 22618,1111 23.868,1112 39.699,1113 55.456,1114 56.589,1115 57.505,1116 55.448,1117 55.232,1118 74.185,1119 3.2,1120 169.861,1121 51.428,1122 5.94,1123 6.713,1124 6.97,1125 5.571,1126 5.492,1127 7.865,1128 1.2,1129 21.164,1130 5.156,1131 16.536,1132 1.54,1133 1.572,1134 1.597,1135 1.54,1136 1.534,1137 2.061,1138 0.089,1139 4.718,1140 1.429,1141 4.179,1142 4.172,1143 4.796,1144 4.215,1145 7.717,1146 4.129,1147 4.061,1148 4.079,1149 4.198,1150 4.001,1151 6.999,1152 4.001,1153 3.827,1154 3.873,1155 4.035,1156 3.766,1157 4.997,1158 3.677,1159 3.757,1160 3.753,1161 3.755,1162 3.589,1163 4.962,1164 3.589,1165 3.435,1166 3.479,1167 3.668,1168 3.337,1169 4.514,1170 3.329,1171 3.31,1172 3.351,1173 3.348,1174 3.223,1175 4.417,1176 3.172,1177 3.176,1178 3.273,1179 3.087,1180 2.982,1181 4.363,1182 2.94,1183 3.111,1184 3.206,1185 3.031,1186 2.941,1187 3.988,1188 2.91,1189 0.137,1190 0.131,1191 0.207,1192 0.122,1193 0.097,1194 4.94,1195 0.135,1196 4.713,1197 0.022,1198 7.441,1199 0.363,1200 4.396,1201 0.088,1202 3.492,1203 4.865,1204 0.8,1205 13.079,1206 3.156,1207 2.047,1208 2.025,1209 2.112,1210 2.147,1211 1.327,1212 2.145,1213 1.926,1214 1.915,1215 1.981,1216 1.976,1217 1.192,1218 1.993,1219 1.771,1220 1.8,1221 1.953,1222 1.96,1223 1.167,1224 1.971,1225 1.715,1226 1.665,1227 1.678,1228 1.799,1229 0.992,1230 1.861,1231 1.438,1232 1.392,1233 1.616,1234 1.581,1235 0.825,1236 1.605,1237 1.255,1238 1.229,1239 1.517,1240 1.468,1241 0.707,1242 1.506,1243 1.153,1244 1.064,1245 1.513,1246 1.405,1247 0.614,1248 1.445,1249 1.153,1250 1.052,1251 1.22,1252 1.376,1253 0.542,1254 1.429,1255 4.29,1257 5.666,1258 2.398,1259 7.235,1260 4.844,1261 8.89,1262 7.05,1263 10.59,1265 3.943,1266 6.113,1271 3.834,1272 2.775,1276 4.641,1280 36.985,1281 97.891,1282 207.02,1283 258.814,1284 286.465,1285 286.465,1286 286.465,1287 59.005,1288 8.374,1289 65.54,1290 102.16,1291 29,1292 12.965,1293 4.585,1294 3.755,1295 45.713,1296 135,1297 140,1298 0.165,1299 233.845,1300 391.11,1301 562.342,1302 56444,1303 1.8,1304 22.457,1305 0.702,1306 0.631,1307 23.561,1308 20.189,1309 15.315,1310 0.425,1311 0.362,1312 10.462,1313 13.46,1314 9.913,1315 8.172,1316 16.833,1317 13.032,1318 14.954,1319 0.277,1320 0.213,1321 17.295,1322 11.479,1323 12.481,1324 0.171,1325 0.129,1326 15.004,1327 9.423,1328 10.746,1329 0.107,1330 0.071,1331 13.217,1332 7.116,1333 9.08,1334 0.069,1335 0.042,1336 11.565,1337 5.465,1338 0.259,1339 110.463,1340 0.205,1341 29.649,1342 0.456,1343 180,1344 498.663,1345 275.514,1346 559.747,1347 761.29,1348 518,1349 217,1350 502.751,1351 314.653,1352 575.882,1353 848.95,1354 539,1355 6.6} {0 CHEMBL317535,1 1.464,2 7.053,3 3.014,4 9.084,5 76.595,6 6.676,7 0.5,8 3.732,9 3.863,10 3.2,11 3.217,12 4.772,13 3.184,14 4.28,15 4.486,16 3.51,17 3.575,18 5.287,19 3.52,20 4.432,21 4.641,22 3.544,23 3.705,24 5.404,25 3.613,26 4.56,27 4.801,28 3.535,29 3.702,30 5.522,31 3.604,32 4.49,33 4.723,34 3.469,35 3.61,36 5.511,37 3.525,38 4.445,39 4.653,40 3.45,41 3.594,42 5.514,43 3.51,44 4.457,45 4.703,46 3.129,47 3.557,48 5.38,49 3.393,50 4.434,51 4.733,52 2.561,53 3.325,54 5.255,55 3.081,56 0.023,57 0.546,58 9.026,59 3.58,60 5.936,61 5.047,62 0.265,63 0.841,64 16.651,65 5.484,66 24.075,67 8.092,68 0.244,69 0.95,70 19.226,71 7.035,72 22.734,73 10.079,74 0.2,75 0.998,76 22.242,77 7.527,78 29.791,79 10.949,80 0.271,81 0.925,82 21.028,83 6.677,84 38.245,85 9.648,86 0.346,87 0.894,88 20.128,89 6.355,90 36.985,91 9.126,92 0.198,93 0.892,94 19.998,95 6.786,96 29.882,97 10.001,98 0.329,99 0.74,100 20.28,101 6.425,102 44.533,103 9.471,104 29,105 27,106 0.265,107 0.601,108 0.779,109 0.816,110 0.826,111 0.826,112 3.011,113 0.982,114 -3.52,115 -3.49,116 -3.34,119 38.5,120 1,121 1,124 2,125 2,140 4,141 2,150 2,156 1,169 6,171 1,172 2,176 3,178 6,182 3,184 2,186 3,189 5,193 6,197 1,199 3,203 5,206 1,208 1,211 2,214 2,215 6,222 2,226 1,233 2,237 1,244 2,259 461,260 12.698,261 12.698,262 12.698,263 12.698,264 12.698,265 11.449,266 11.084,267 7.728,268 13.057,269 9.841,270 9.841,271 9.841,272 9.841,273 9.841,274 7.844,275 10.229,276 3.586,277 10.29,278 3.822,279 1.964,280 0.981,281 0.776,282 0.725,283 0.725,284 3.665,287 1,288 1,289 1,290 270,291 3.464,294 39.08,295 49.756,298 75.305,302 1.014,303 15.031,304 1,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 41,315 134,316 4.661,317 3.707,318 6.84,319 4.221,320 3.238,321 4.596,322 1.674,323 11.372,324 3.18,325 3.88,326 3.122,327 5.904,328 3.477,329 2.494,330 3.309,331 0.8,332 8.025,333 2.438,334 3.374,335 2.579,336 5.143,337 3.165,338 2.238,339 2.627,341 5.936,342 2.079,343 3.143,344 2.175,345 4.629,346 2.855,347 1.891,348 2.246,350 5.025,351 1.809,352 3.024,353 1.82,354 4.357,355 2.517,356 1.56,357 2.179,359 3.97,360 1.491,361 2.695,362 1.658,363 3.615,364 2.256,365 1.294,366 1.747,368 2.87,369 1.237,370 2.245,371 1.315,372 3.57,373 1.999,374 1.033,375 1.193,377 2.32,378 0.989,379 2.041,380 1.117,381 2.929,382 1.681,383 0.692,384 0.872,386 1.247,387 0.674,388 1.566,389 0.399,390 2.835,391 1.302,392 0.331,393 0.403,395 0.769,396 0.321,397 0.798,398 0.271,399 2.291,400 0.438,401 -0.51,402 -0.566,404 -0.856,405 -0.481,406 0.657,407 -0.294,408 2,409 0.373,410 -0.638,411 -0.799,413 -1.477,414 -0.632,415 0.619,416 -0.6,417 2,418 0.163,419 -0.831,420 -1,422 -2,423 -0.826,424 0.283,425 -0.741,426 1.757,427 -0.1,428 -1,429 -1.202,431 -2.068,432 -0.9,434 -0.875,435 1.513,436 -0.129,437 -1.116,438 -1.491,440 -3.032,441 -1.093,442 -0.135,443 -1.051,444 1.258,445 -0.356,446 -1.336,447 -1.669,449 -3.429,450 -1.314,451 8.967,452 0.472,453 0.456,454 0.024,455 21.5,456 1.132,457 9.5,458 0.5,459 12,460 0.632,461 15.134,462 0.797,463 21.633,464 0.555,465 14.927,466 0.786,467 4.469,468 0.235,469 4.661,470 0.245,471 0.204,473 0.323,479 0.802,480 1.496,481 0.892,482 1.265,483 0.617,484 1.111,485 0.979,486 0.938,487 0.886,488 0.82,489 0.535,490 0.818,491 0.822,492 1.097,493 0.971,494 1.084,495 0.724,496 1.057,497 1.076,498 1.074,499 0.916,500 1.027,501 1.286,502 0.959,503 1.401,504 1.005,505 1.035,506 0.973,507 1.618,508 0.955,509 1.487,510 1.095,511 1.195,512 1.075,513 1.54,514 1.095,515 1.071,516 1.202,517 1.291,518 1.291,519 0.965,520 1.313,521 1.393,522 0.823,523 1.232,524 0.919,525 1.53,526 1.048,527 3.5,529 2.222,530 1.639,531 0.992,532 0.59,533 0.583,534 0.169,535 0.121,537 2709,538 6514,539 1.965,540 51.3,542 14,545 1,547 5,550 1.611,551 1.81,552 2.846,553 -0.301,555 1,557 1,559 57.089,560 1.464,561 3.321,562 4.304,563 4.509,564 4.561,565 4.561,566 2.249,567 3.932,568 4.212,569 2.975,570 508.703,571 7.222,572 5026.72,573 1,574 1,575 1,576 1,577 206.131,578 1.509,579 4.159,580 0.175,582 0.082,583 0.061,584 0.038,585 0.025,586 0.025,587 0.011,588 0.017,590 0.435,591 0.67,592 1,593 1.722,594 81.113,595 -0.013,596 -0.23,597 0.051,598 -0.111,599 -0.045,600 -0.034,601 0.071,602 0.192,603 0.106,604 0.191,605 0.145,606 0.168,607 0.093,608 -0.019,609 -0.01,610 -0.037,611 0.042,612 -0.042,613 -0.039,614 -0.087,615 0.066,616 -0.037,617 -0.041,618 0.023,619 -0.11,620 -0.003,621 -0.019,622 -0.011,623 -0.107,624 -0.004,625 -0.063,626 -0.058,627 -0.167,628 -0.099,629 -0.081,630 -0.146,631 -0.147,632 -0.198,633 -0.33,634 -0.31,635 -0.058,636 -0.338,637 -0.231,639 -0.24,640 -0.011,641 -0.252,642 -0.117,643 1.938,644 5.013,645 0.474,646 13.778,647 0.995,648 1.132,649 2.289,650 5.238,651 0.635,652 3.045,653 3.332,654 3.584,655 3.871,656 4.078,657 4.159,658 4.19,659 4.127,660 3.807,661 3.526,662 4.563,663 0.595,664 260.37,665 3.045,666 4.554,667 5.389,668 6.267,669 7.141,670 8.036,671 8.926,672 9.827,673 10.725,674 11.629,675 5.1,678 1,683 1,687 2,688 4,690 1,693 2,695 10,704 1,714 39,716 11,717 1,718 20,720 40,721 15,722 8,723 2,724 4,725 1,730 2,731 3,736 1,743 1,745 9,746 6,750 1,755 1,759 1,760 1,761 1,764 20,765 3,766 1,767 4,773 2,777 0.5,778 2,788 1,792 1,793 1,796 1,815 1,819 1,823 3,827 19,833 3,835 1,838 1,847 5.1,850 1,852 1,854 10.5,855 7.867,856 4.361,857 2.417,858 2.213,859 1.353,860 0.945,861 4.482,862 8.476,863 3.296,864 3.876,865 4.501,866 5.145,867 5.671,868 6.015,869 6.335,870 6.628,871 6.407,872 6.317,873 0.8,874 27,875 7.028,877 2.835,878 7.702,879 13.524,881 10.572,883 2.202,884 41.833,885 0.001,888 223.651,889 90.606,890 19.91,892 36.145,895 90.606,896 259.796,897 19.91,898 25.618,899 9.233,900 37.905,901 32.336,902 36.668,903 4.901,904 223.651,906 223.651,907 110.516,908 36.145,911 164.795,912 95,915 37.968,916 72.548,919 223.651,920 56.055,921 90.606,924 223.651,925 27.083,926 66.647,927 16.786,928 36.145,929 223.651,930 56.055,931 90.606,933 0.563,934 0.317,935 0.182,936 0.108,937 12,938 6,939 0.15,940 6,941 1,942 1.222,943 3.035,944 134.892,945 0.222,946 9,947 78.711,951 13.94,952 6.11,953 3.1,954 2.09,955 39.269,956 7.977,958 3.179,961 1.632,963 16.786,964 370.312,965 26,970 12.013,974 -0.271,975 38.811,976 44.152,977 0.277,978 0.628,979 0.814,980 0.853,981 0.863,982 0.863,983 4.505,984 0.692,985 5.371,986 2.32,987 4.007,988 4.559,989 2.024,990 6.192,991 3.937,992 5.706,993 0.331,994 6.934,995 1.247,996 3.611,997 4.46,998 0.325,999 7.168,1000 3.524,1001 7.015,1002 -0.51,1003 8.608,1004 0.769,1005 5.587,1006 6.821,1007 2.844,1008 10.305,1009 5.47,1010 8.371,1011 -0.638,1012 10.348,1013 -0.856,1014 6.043,1015 7.629,1016 0.268,1017 12.169,1018 5.919,1019 9.768,1020 -0.831,1021 12.132,1022 -1.477,1023 7.509,1024 9.479,1025 3.814,1026 14.834,1027 7.364,1028 11.196,1029 -1,1030 13.947,1031 -2,1032 8.363,1033 10.698,1034 0.188,1035 17.046,1036 8.211,1037 12.648,1038 -1.116,1039 15.785,1040 -2.068,1041 9.635,1042 12.349,1043 4.826,1044 19.556,1045 9.466,1046 3.238,1047 -1.336,1048 17.64,1049 -3.032,1050 10.67,1051 13.746,1052 0.125,1053 21.901,1054 10.49,1055 2.494,1056 11.372,1057 19.507,1058 -3.429,1059 11.872,1060 15.319,1061 5.851,1062 24.359,1063 11.676,1064 2.238,1065 8.025,1066 21.385,1067 4.596,1068 12.986,1069 16.791,1070 0.082,1071 26.756,1072 12.776,1073 1.891,1074 5.936,1075 23.271,1076 3.309,1077 14.165,1078 18.334,1079 6.88,1080 29.195,1081 13.939,1082 1.56,1083 5.025,1084 25.164,1085 2.627,1086 15.313,1087 19.836,1088 0.054,1089 31.612,1090 15.071,1091 1.294,1092 3.97,1093 27.061,1094 2.246,1095 16.486,1096 21.368,1097 7.91,1098 34.046,1099 16.227,1100 1.033,1101 2.87,1102 28.963,1103 2.179,1104 17.648,1105 22.884,1106 0.035,1107 36.471,1108 17.373,1109 2870,1110 4544,1111 12.83,1112 24.773,1113 29.859,1114 30.387,1115 31.042,1116 29.578,1117 29.546,1118 38.345,1119 4.949,1120 83.069,1121 28.435,1122 5.513,1123 5.707,1124 6.609,1125 5.239,1126 5.238,1127 7.596,1128 3.349,1129 18.655,1130 5.18,1131 10.524,1132 1.493,1133 1.519,1134 1.552,1135 1.479,1136 1.477,1137 1.917,1138 0.247,1139 4.153,1140 1.422,1141 4.142,1142 4.172,1143 4.106,1144 4.057,1145 7.433,1146 4.065,1147 3.659,1148 3.741,1149 3.533,1150 3.486,1151 4.94,1152 3.487,1153 3.577,1154 3.614,1155 3.467,1156 3.343,1157 4.465,1158 3.362,1159 3.405,1160 3.473,1161 3.241,1162 3.233,1163 4.326,1164 3.223,1165 3.155,1166 3.241,1167 2.968,1168 2.948,1169 4.218,1170 2.942,1171 2.979,1172 3.009,1173 2.871,1174 2.751,1175 3.811,1176 2.765,1177 2.874,1178 3.006,1179 2.67,1180 2.69,1181 3.615,1182 2.692,1183 2.851,1184 2.915,1185 2.499,1186 2.618,1187 3.508,1188 2.57,1189 0.233,1190 0.185,1191 0.342,1192 0.211,1193 0.162,1194 4.661,1195 0.23,1196 3.707,1197 0.084,1198 6.84,1199 0.569,1200 4.221,1201 0.159,1202 3.238,1203 4.596,1204 1.674,1205 11.372,1206 3.18,1207 1.941,1208 1.917,1209 2.042,1210 2.02,1211 1.253,1212 2.028,1213 1.71,1214 1.664,1215 1.903,1216 1.918,1217 1.065,1218 1.915,1219 1.53,1220 1.465,1221 1.809,1222 1.798,1223 0.94,1224 1.793,1225 1.426,1226 1.346,1227 1.68,1228 1.656,1229 0.795,1230 1.675,1231 1.16,1232 1.084,1233 1.434,1234 1.403,1235 0.535,1236 1.429,1237 0.934,1238 0.86,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.913,1244 0.804,1245 1.144,1246 1.173,1247 0.282,1248 1.146,1249 0.85,1250 0.801,1251 1.104,1252 1.045,1253 0.141,1254 1.076,1255 3.714,1257 5.004,1258 2.398,1259 6.491,1260 4.844,1261 8.077,1262 7.05,1263 9.723,1265 5.873,1271 2.112,1273 5.121,1276 2.108,1280 23.214,1281 57.089,1282 129.527,1283 167.866,1284 175.866,1285 177.866,1286 177.866,1287 30.043,1288 6.263,1289 45.33,1290 45.33,1291 11,1292 12.15,1293 3.585,1294 2.807,1295 33.293,1296 49,1297 56,1298 0.339,1299 146.813,1300 247.92,1301 349.983,1302 3342,1304 13.828,1305 0.728,1306 0.615,1307 13.828,1308 11.694,1309 9.13,1310 0.457,1311 0.327,1312 6.441,1313 8.736,1314 6.177,1315 5.207,1316 9.13,1317 6.546,1318 8.009,1319 0.297,1320 0.178,1321 8.009,1322 4.798,1323 6.195,1324 0.177,1325 0.089,1326 6.195,1327 3.102,1328 5.212,1329 0.111,1330 0.046,1331 5.212,1332 2.173,1333 4.147,1334 0.072,1335 0.026,1336 4.147,1337 1.491,1338 0.503,1339 57.457,1340 0.279,1341 18.659,1342 1.019,1343 94,1344 273.449,1345 103.337,1346 260.455,1347 352.72,1348 244,1349 109,1350 253.753,1351 118.424,1352 258.749,1353 378.07,1354 241,1355 6.481} {0 CHEMBL318018,1 1.809,2 11,3 4.232,4 17.907,5 128.707,6 9.097,7 0.6,8 4.077,9 4.17,10 3.976,11 3.748,12 5.108,13 3.682,14 4.633,15 4.776,16 4.34,17 4.175,18 5.867,19 4.092,20 4.878,21 5.052,22 4.464,23 4.347,24 5.93,25 4.218,26 4.922,27 5.085,28 4.46,29 4.335,30 6.082,31 4.219,32 4.959,33 5.139,34 4.42,35 4.287,36 6.135,37 4.166,38 4.923,39 5.135,40 4.304,41 4.187,42 6.086,43 4.076,44 4.793,45 5.006,46 4.079,47 4.088,48 5.91,49 3.941,50 4.641,51 4.855,52 3.999,53 3.977,54 5.677,55 3.836,56 0.103,57 0.799,58 10.529,59 5.038,60 15.85,61 5.495,62 0.378,63 1.346,64 19.787,65 8.773,66 52.405,67 9.919,68 0.391,69 1.689,70 36.86,71 13.19,72 37.071,73 13.866,74 0.347,75 1.724,76 38.759,77 14.317,78 38.781,79 15.138,80 0.555,81 1.665,82 40.464,83 13.861,84 80.824,85 14.661,86 0.597,87 1.631,88 34.905,89 12.4,90 79.045,91 14.672,92 0.596,93 1.468,94 34.893,95 11.527,96 62.317,97 13.319,98 0.316,99 1.261,100 31.193,101 11.1,102 43.25,103 12.364,104 17,105 52,106 0.297,107 0.627,108 0.763,109 0.85,110 0.85,111 0.85,112 3.473,113 1.085,114 -3.76,115 -3.72,116 -3.54,119 42.3,120 1,125 4,140 7,141 2,142 4,143 1,144 1,150 2,169 4,171 1,172 5,174 2,176 2,178 10,182 5,184 1,186 3,189 10,192 1,193 11,197 3,199 3,203 7,206 2,208 4,211 5,215 4,220 3,222 9,225 4,226 2,229 1,231 1,233 8,237 2,241 1,242 1,244 7,249 6,256 7,259 1482,260 20.833,261 20.833,262 20.833,263 20.833,264 20.833,265 18.101,266 20.709,267 12.059,268 21.56,269 17.317,270 17.317,271 17.317,272 17.317,273 17.317,274 13.074,275 23.379,276 5.753,277 18.578,278 3.891,279 1.879,280 1.046,281 0.515,282 0.515,283 0.515,284 4.179,285 1,288 1,289 1,290 758,291 3.464,294 64.936,295 321.539,298 122.471,299 130.57,302 1.548,303 35.234,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 66.333,315 341,316 4.977,317 4.732,318 7.545,319 4.448,320 3.53,321 4.924,322 0.8,323 13.554,324 3.217,325 4.557,326 3.272,327 6.701,328 4.112,329 3.142,330 4.479,331 0.4,332 10.888,333 3.047,334 4.355,335 3.052,336 6.319,337 3.798,338 2.856,339 4.193,341 9.542,342 2.683,343 3.801,344 2.767,345 5.787,346 3.489,347 2.545,348 3.183,350 7.908,351 2.397,352 3.669,353 2.685,354 5.414,355 3.191,356 2.285,357 3.1,359 6.721,360 2.084,361 3.522,362 2.329,363 5.128,364 3.057,365 2.129,366 2.894,368 6.153,369 1.919,370 3.229,371 2.07,372 4.929,373 2.763,374 1.815,375 2.518,377 5.422,378 1.725,379 3.059,380 1.966,381 4.683,382 2.727,383 1.8,384 2.267,386 4.809,387 1.587,388 3.031,389 1.583,390 4.667,391 2.492,392 1.548,393 2.178,395 4.605,396 1.439,397 2.897,398 1.524,399 4.044,400 2.391,401 1.421,402 2.066,404 3.468,405 1.376,406 2.469,407 1.41,408 3.694,409 2.209,410 1.272,411 1.463,413 2.83,414 1.189,415 2.123,416 1.146,417 3.547,418 1.967,419 1,420 1.026,422 2.136,423 0.965,424 2.081,425 0.937,426 3.324,427 1.731,428 0.771,429 1,431 1.9,432 0.738,433 2,434 0.814,435 3.247,436 1.516,437 0.609,438 0.879,440 1.649,441 0.532,442 1.371,443 0.562,444 3.147,445 0.999,446 0.051,447 0.063,449 0.139,450 0.047,451 15.648,452 0.505,453 0.923,454 0.03,455 42.25,456 1.363,457 22,458 0.71,459 20.25,460 0.653,461 28.067,462 0.905,463 32.352,464 0.622,465 32.158,466 1.037,467 7.803,468 0.252,469 7.118,470 0.23,471 0.12,472 0.053,473 0.313,479 0.573,480 1.225,481 0.685,482 0.992,483 0.639,484 0.828,485 0.729,486 0.981,487 0.743,488 0.77,489 0.503,490 0.785,491 1.037,492 0.938,493 0.998,494 0.927,495 0.873,496 0.905,497 0.949,498 1.211,499 1.088,500 1.298,501 0.962,502 1.079,503 1.392,504 1,505 0.801,506 0.906,507 1.762,508 1.006,509 0.921,510 1.014,511 0.726,512 0.889,513 1.014,514 0.954,515 0.963,516 0.867,517 1.095,518 0.952,519 0.914,520 1.024,521 0.927,522 0.922,523 0.97,524 1.007,525 0.957,526 0.895,527 7,528 0.201,529 4,530 3.319,531 2.201,532 1.25,533 0.795,534 0.471,535 0.416,536 0.284,537 12886,538 37171,539 2.132,540 40.4,542 15,544 1,545 2,546 3,550 1.739,551 1.989,552 3.431,553 0.257,559 94.077,560 1.809,561 3.821,562 4.654,563 5.186,564 5.186,565 5.186,566 2.853,567 4.761,568 4.93,569 3.583,570 1666.09,571 8.623,572 22962.8,577 296.423,578 1.56,579 4.879,580 0.2,581 0.007,582 0.077,583 0.061,584 0.041,585 0.026,586 0.018,587 0.013,588 0.012,589 0.009,590 0.463,591 0.33,592 0.75,593 0.541,594 159.014,595 0.061,596 -0.107,597 0.123,598 -0.03,599 -0.138,600 0.043,601 0.138,602 0.113,603 0.061,604 0.142,605 0.267,606 0.096,607 -0.13,608 0.121,609 -0.003,610 0.096,611 -0.05,612 0.047,613 0.013,614 -0.187,615 -0.061,616 -0.212,617 0.097,618 -0.103,619 -0.139,620 -0.048,621 0.058,622 0.029,623 -0.196,624 -0.063,625 0.119,626 -0.062,627 0.118,628 -0.008,629 0.086,630 0.011,631 0.057,632 0.136,633 -0.108,635 0.024,636 -0.053,637 -0.012,638 0.055,639 0.03,640 0.049,641 0.02,642 0.129,643 4.709,644 6.35,645 0.806,646 26.522,647 1.009,648 1.114,649 2.526,650 6.379,651 0.73,652 3.584,653 3.97,654 4.277,655 4.625,656 4.86,657 4.942,658 5.081,659 5.22,660 5.273,661 5.338,662 6.573,663 0.682,664 473.06,665 3.584,666 5.165,667 6.043,668 6.963,669 7.859,670 8.784,671 9.687,672 10.614,673 11.521,674 12.448,675 7.7,677 1,680 1,681 1,685 1,687 4,688 8,689 1,692 1,693 5,695 21,709 1,713 1,714 52,716 23,717 2,718 35,720 56,721 22,722 17,723 6,724 6,730 5,731 7,732 1,736 1,745 17,746 5,750 2,753 1,755 2,764 21,765 6,766 2,767 9,768 3,773 4,777 0.6,778 2,786 1,792 1,793 4,796 1,797 1,814 1,819 3,821 2,823 1,824 1,827 31,830 1,833 4,834 2,838 1,842 1,846 1,847 3.8,850 2,854 15.583,855 9.626,856 6.542,857 3.083,858 4.29,859 1.518,860 1.054,861 5.548,862 12.568,863 3.882,864 4.593,865 5.218,866 5.915,867 6.485,868 6.853,869 7.268,870 7.685,871 7.926,872 8.139,873 1,874 54,875 11.775,877 5.44,878 7.754,879 22.183,881 19.176,883 2.254,884 69.861,888 223.651,889 149.673,890 54.326,891 39.149,892 44.313,894 37.085,895 112.588,896 307.113,897 54.326,898 8.825,899 8.423,900 90.152,901 89.275,902 30.027,903 2.104,904 243.158,905 39.149,906 223.651,907 166.914,908 44.313,909 76.234,911 223.651,912 44.313,915 46.45,916 87.273,917 78.147,918 31.278,919 223.651,920 98.639,921 188.822,923 5.807,924 223.651,925 59.66,926 87.331,927 34.416,928 100.247,929 223.651,930 98.639,931 188.822,933 0.596,934 0.351,935 0.204,936 0.114,937 28,938 12,939 0.071,940 4,941 2,942 1.16,943 4.12,944 301.878,945 0.16,946 25,947 147.58,948 1,950 1,951 20.952,952 8.209,953 4.002,954 3.305,955 98.639,956 14.613,957 4.456,960 1.448,961 3.102,963 34.416,964 511.112,965 47.5,968 -3.793,970 26.699,975 52.491,976 57.933,977 0.317,978 0.67,979 0.816,980 0.91,981 0.91,982 0.91,983 5.149,984 1.8,985 6.075,986 5.422,987 4.654,988 5.281,989 0.824,990 6.976,991 4.52,992 6.413,993 1.548,994 7.69,995 4.809,996 4.443,997 5.427,998 0.325,999 8.192,1000 4.207,1001 7.784,1002 1.421,1003 9.417,1004 4.605,1005 6.365,1006 7.69,1007 0.413,1008 11.31,1009 6.103,1010 9.198,1011 1.272,1012 11.214,1013 3.468,1014 6.967,1015 8.65,1016 0.268,1017 13.379,1018 6.599,1019 10.649,1020 1,1021 13.058,1022 2.83,1023 8.418,1024 10.452,1025 0.246,1026 16.097,1027 8.016,1028 12.126,1029 0.771,1030 14.936,1031 2.136,1032 9.38,1033 11.758,1034 0.188,1035 18.491,1036 8.875,1037 13.624,1038 0.609,1039 16.839,1040 1.9,1041 10.669,1042 13.4,1043 0.157,1044 21.105,1045 10.112,1046 3.53,1047 0.051,1048 18.763,1049 1.649,1050 11.787,1051 14.854,1052 0.125,1053 23.621,1054 11.132,1055 3.142,1056 13.554,1057 20.702,1058 0.139,1059 13.027,1060 16.441,1061 0.102,1062 26.213,1063 12.304,1064 2.856,1065 10.888,1066 22.655,1067 4.924,1068 14.212,1069 17.957,1070 0.082,1071 28.777,1072 13.393,1073 2.545,1074 9.542,1075 24.617,1076 4.479,1077 15.443,1078 19.527,1079 0.067,1080 31.368,1081 14.544,1082 2.285,1083 7.908,1084 26.589,1085 4.193,1086 16.657,1087 21.072,1088 0.054,1089 33.952,1090 15.664,1091 2.129,1092 6.721,1093 28.568,1094 3.183,1095 17.89,1096 22.639,1097 0.043,1098 36.547,1099 16.81,1100 1.815,1101 6.153,1102 30.553,1103 3.1,1104 19.12,1105 24.199,1106 0.035,1107 39.141,1108 17.945,1109 11936,1110 20530,1111 23.463,1112 37.938,1113 53.567,1114 55.191,1115 55.209,1116 53.753,1117 53.544,1118 72.468,1119 2.4,1120 163.448,1121 49.887,1122 5.977,1123 6.732,1124 7.347,1125 5.599,1126 5.53,1127 7.924,1128 1.2,1129 21.657,1130 5.217,1131 14.095,1132 1.53,1133 1.577,1134 1.577,1135 1.536,1136 1.53,1137 2.071,1138 0.069,1139 4.67,1140 1.425,1141 4.188,1142 4.179,1143 4.768,1144 4.218,1145 7.717,1146 4.137,1147 4.061,1148 4.08,1149 4.24,1150 4,1151 6.999,1152 4,1153 3.796,1154 3.845,1155 4.034,1156 3.733,1157 4.997,1158 3.644,1159 3.723,1160 3.722,1161 3.799,1162 3.558,1163 4.959,1164 3.554,1165 3.432,1166 3.476,1167 3.633,1168 3.369,1169 4.514,1170 3.329,1171 3.339,1172 3.361,1173 3.335,1174 3.28,1175 4.425,1176 3.218,1177 3.111,1178 3.206,1179 3.041,1180 2.941,1181 4.371,1182 2.91,1183 3.031,1184 3.11,1185 2.946,1186 2.864,1187 3.983,1188 2.867,1189 0.142,1190 0.135,1191 0.216,1192 0.127,1193 0.101,1194 4.977,1195 0.141,1196 4.732,1197 0.023,1198 7.545,1199 0.387,1200 4.448,1201 0.092,1202 3.53,1203 4.924,1204 0.8,1205 13.554,1206 3.217,1207 2.049,1208 2.03,1209 2.111,1210 2.147,1211 1.309,1212 2.146,1213 1.941,1214 1.942,1215 1.955,1216 1.986,1217 1.205,1218 2.014,1219 1.738,1220 1.742,1221 1.931,1222 1.935,1223 1.149,1224 1.943,1225 1.685,1226 1.637,1227 1.698,1228 1.772,1229 0.973,1230 1.825,1231 1.437,1232 1.395,1233 1.597,1234 1.581,1235 0.825,1236 1.611,1237 1.265,1238 1.261,1239 1.513,1240 1.434,1241 0.687,1242 1.48,1243 1.153,1244 1.064,1245 1.262,1246 1.376,1247 0.545,1248 1.429,1249 0.985,1250 0.928,1251 1.204,1252 1.229,1253 0.326,1254 1.226,1255 4.263,1257 5.631,1258 2.398,1259 7.198,1260 4.844,1261 8.857,1262 7.05,1263 10.564,1265 1.819,1266 6.14,1271 3.637,1272 6.13,1276 2.303,1280 35.458,1281 94.077,1282 198.718,1283 242.016,1284 269.668,1285 269.668,1286 269.668,1287 56.983,1288 8.278,1289 74.33,1290 110.95,1291 29,1292 12.956,1293 4.585,1294 3.755,1295 43.553,1296 124,1297 117,1298 0.173,1299 224.253,1300 373.81,1301 538.937,1302 50034,1303 1.9,1304 21.587,1305 0.696,1306 0.621,1307 22.691,1308 19.242,1309 14.921,1310 0.426,1311 0.362,1312 10.102,1313 12.982,1314 9.628,1315 7.904,1316 16.439,1317 12.659,1318 14.369,1319 0.276,1320 0.209,1321 16.743,1322 10.844,1323 11.851,1324 0.167,1325 0.12,1326 13.968,1327 8.485,1328 10.901,1329 0.108,1330 0.07,1331 13.463,1332 7.093,1333 8.842,1334 0.069,1335 0.04,1336 11.228,1337 5.172,1338 0.268,1339 107.903,1340 0.206,1341 28.702,1342 0.483,1343 174,1344 487.351,1345 263.574,1346 548.281,1347 746.89,1348 508,1349 210,1350 493.117,1351 304.882,1352 563.227,1353 831.27,1354 530,1355 6.4} {0 CHEMBL318105,1 1.382,2 7.059,3 1.885,4 3.554,5 70.344,6 6.581,7 0.526,8 3.655,9 3.809,10 3.131,11 3.154,12 4.634,13 3.119,14 4.223,15 4.436,16 3.488,17 3.589,18 5.109,19 3.523,20 4.483,21 4.727,22 3.47,23 3.742,24 5.295,25 3.616,26 4.568,27 4.856,28 3.293,29 3.697,30 5.281,31 3.524,32 4.434,33 4.74,34 3.152,35 3.487,36 5.166,37 3.321,38 4.183,39 4.468,40 2.933,41 3.273,42 4.997,43 3.123,44 4.01,45 4.304,46 2.629,47 3.063,48 4.799,49 2.873,50 3.862,51 4.215,52 2.069,53 2.689,54 4.583,55 2.445,56 0.05,57 0.557,58 8.49,59 2.885,60 7.384,61 4.528,62 0.144,63 0.891,64 15.421,65 5.062,66 14.12,67 7.964,68 0.172,69 1.049,70 20.08,71 6.914,72 18.248,73 10.722,74 0.166,75 1.02,76 22.026,77 7.506,78 18.382,79 11.773,80 0.191,81 0.865,82 19.5,83 6.025,84 20.092,85 9.772,86 0.22,87 0.704,88 15.295,89 4.304,90 17.566,91 7.108,92 0.1,93 0.56,94 12.614,95 3.954,96 14.106,97 6.426,98 0.168,99 0.414,100 11.251,101 2.874,102 16.458,103 4.971,104 5,105 27,106 0.256,107 0.641,108 0.799,109 0.809,110 0.809,111 0.809,112 2.91,113 0.972,114 -2.69,115 -2.71,116 -2.63,119 37.1,121 2,122 1,124 1,125 2,140 2,141 1,144 1,145 1,149 1,150 1,161 1,162 1,163 1,169 4,172 4,173 1,174 1,176 3,178 3,180 1,182 3,184 1,186 3,189 1,191 1,193 3,197 3,199 2,201 1,207 1,208 1,210 1,211 3,213 1,214 1,218 1,220 2,222 2,224 2,226 1,237 1,239 1,240 1,259 294,260 11.516,261 11.516,262 11.516,263 11.516,264 11.516,265 10.359,266 14.529,267 6.71,268 11.768,269 9.375,270 9.375,271 9.375,272 9.375,273 9.375,274 7.619,275 16.562,276 3.203,277 9.778,278 3.748,279 1.672,280 0.822,281 0.764,282 0.764,283 0.764,284 3.586,287 1,288 1,289 1,290 261,291 1.732,294 30.93,295 83.764,298 58.266,302 1.017,303 9.408,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 36,315 120,316 4.583,317 3.297,318 6.717,319 4.145,320 3.168,321 4.518,322 0.8,323 10.935,324 3.097,325 3.781,326 2.781,327 5.765,328 3.559,329 2.594,330 3.13,332 7.831,333 2.506,334 3.518,335 2.519,336 5.041,337 3.199,338 2.262,339 2.805,341 6.054,342 2.115,343 3.293,344 2.191,345 4.958,346 3.003,347 2.06,348 2.39,350 5.797,351 1.936,352 2.849,353 1.522,354 4.542,355 2.471,356 1.502,357 1.953,359 4.348,360 1.452,361 2.549,362 1.163,363 3.954,364 2.093,365 1.142,366 1.565,368 3.009,369 1.083,370 2.036,371 1.077,372 3.414,373 1.984,374 1,375 1,377 2.275,378 0.983,379 2,380 0.682,381 3.23,382 1.58,383 0.623,384 0.86,386 1.507,387 0.595,388 1.054,389 0.042,390 2.492,391 0.816,392 -0.144,393 -0.158,395 -0.321,396 -0.138,397 0.775,398 -0.275,399 2.375,400 0.499,401 -0.434,402 -0.522,404 -1.025,405 -0.404,406 0.589,407 -0.782,408 2,409 0.101,410 -0.873,411 -1,413 -2.661,414 -0.848,415 0.072,416 -0.784,417 2,418 -0.049,419 -1,420 -1.194,422 -2.911,423 -0.946,425 -0.922,426 1.863,427 -0.217,428 -1.149,429 -1.352,431 -3,432 -1.069,433 -0.073,434 -1.222,435 1.585,436 -0.43,437 -1.367,438 -1.591,440 -3.243,441 -1.275,442 -0.304,443 -1.452,444 1.113,445 -0.568,446 -1.538,447 -2,449 -4.59,450 -1.492,451 8.1,452 0.476,453 0.435,454 0.026,455 20,456 1.176,457 8.5,458 0.5,459 11.5,460 0.676,461 13.187,462 0.776,463 18.9,464 0.54,465 11.444,466 0.673,467 3.717,468 0.219,469 4.52,470 0.266,471 0.111,473 0.358,479 1.154,480 1.442,481 0.93,482 1.12,483 1.176,484 1.018,485 1.108,486 1.097,487 0.937,488 0.959,489 0.524,490 0.933,491 0.93,492 1.118,493 1.07,494 1.147,495 0.785,496 1.128,497 0.792,498 1.037,499 0.973,500 1.073,501 0.821,502 1.049,503 0.865,504 0.975,505 0.894,506 0.947,507 0.807,508 0.927,509 1.365,510 0.873,511 1.215,512 0.98,513 1.46,514 1.064,515 0.925,516 1.21,517 1.08,518 1.205,519 1.355,520 1.168,521 1.332,522 0.632,523 1.084,524 0.754,525 1.561,526 0.869,527 3.5,529 2.222,530 1.007,531 0.881,532 0.455,533 0.267,534 0.168,535 0.082,536 0.016,537 2322,538 4756,539 2.127,540 51.4,541 1,542 9,543 1,545 3,547 4,550 1.571,551 2,552 2.854,553 1.193,555 1,556 1,557 1,559 48.361,560 1.382,561 3.457,562 4.308,563 4.365,564 4.365,565 4.365,566 2.257,567 3.735,568 4.06,569 2.913,570 396.145,571 6.871,572 3462.76,573 1,574 1,576 1,577 179.525,578 1.379,579 4.023,580 0.184,582 0.082,583 0.04,584 0.044,585 0.027,586 0.021,587 0.019,588 0.021,589 0.008,590 0.445,591 0.83,592 1,593 0.604,594 69.081,595 -0.087,596 -0.143,597 0.056,598 0.003,599 -0.1,600 0.04,601 -0.032,602 0.069,603 0.05,604 0.09,605 0.217,606 0.081,607 -0.04,608 -0.06,609 -0.111,610 -0.11,611 0.027,612 -0.117,613 -0.02,614 -0.108,615 -0.026,616 -0.072,617 -0.043,618 -0.053,619 0.072,620 -0.074,621 0.075,622 -0.003,623 0.068,624 0.03,625 -0.106,626 0.131,627 -0.215,628 -0.072,629 -0.256,630 -0.143,631 -0.038,632 -0.298,633 -0.122,634 -0.246,635 -0.139,636 -0.202,637 -0.104,638 0.183,639 -0.084,640 0.064,641 -0.191,642 0.003,643 1.064,644 1.77,645 0.882,646 9.488,647 0.988,648 1.14,649 1.463,650 2.14,651 0.639,652 2.996,653 3.332,654 3.611,655 3.892,656 4.127,657 4.159,658 4.205,659 4.277,660 4.19,661 4.007,662 4.222,663 0.594,664 230.35,665 2.996,666 4.533,667 5.389,668 6.275,669 7.154,670 8.045,671 8.933,672 9.827,673 10.719,674 11.615,675 11.4,678 1,679 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,705 1,714 35,716 10,718 19,720 37,721 13,722 7,730 3,731 4,740 2,741 1,743 2,745 7,746 6,747 1,761 1,764 18,765 3,766 3,767 4,773 4,777 0.667,786 1,788 1,792 1,793 2,796 1,815 1,819 2,823 1,827 17,828 1,833 4,837 1,838 1,854 8.5,855 6.317,856 3.667,857 2.132,858 2.075,859 1.322,860 1.014,861 2.708,862 8.531,863 3.219,864 3.834,865 4.45,866 5.078,867 5.581,868 5.891,869 6.215,870 6.551,871 6.373,872 6.377,873 0.8,874 25,875 6.284,877 2.663,878 7.471,879 12.476,881 10.635,883 1.971,884 33.5,885 0.004,888 176.567,889 55.479,890 69.593,895 55.479,896 176.567,897 69.593,898 8.396,899 9.28,900 60.897,901 16.786,902 25.24,903 16.243,904 164.795,906 176.567,907 125.071,911 129.482,912 47.084,915 31.334,916 76.951,917 16.786,919 176.567,920 69.593,921 55.479,924 176.567,925 19.082,926 39.521,927 16.786,928 49.683,929 176.567,930 69.593,931 55.479,933 0.588,934 0.339,935 0.184,936 0.108,937 15,938 6,939 0.027,940 1,941 1,942 1.133,943 2.963,944 123.279,945 0.133,946 15,947 65.487,951 10.903,952 4.222,953 1.995,954 2.146,955 52.807,956 5.959,957 4.463,958 3.292,961 1.937,963 49.683,964 301.638,965 24,975 34.592,976 39.9,977 0.269,978 0.674,979 0.84,980 0.851,981 0.851,982 0.851,983 4.46,984 0.623,985 5.38,986 2.275,987 4.007,988 4.516,989 0.673,990 6.196,991 3.93,992 5.659,993 -0.144,994 6.94,995 1.507,996 3.611,997 4.388,998 0.325,999 7.111,1000 3.498,1001 6.968,1002 -0.434,1003 8.6,1004 -0.321,1005 5.602,1006 6.761,1007 0.379,1008 10.219,1009 5.463,1010 8.315,1011 -0.873,1012 10.318,1013 -1.025,1014 6.019,1015 7.526,1016 0.268,1017 12.004,1018 5.858,1019 9.699,1020 -1,1021 12.077,1022 -2.661,1023 7.493,1024 9.382,1025 0.239,1026 14.64,1027 7.308,1028 11.11,1029 -1.149,1030 13.864,1031 -2.911,1032 8.292,1033 10.561,1034 0.188,1035 16.785,1036 8.093,1037 12.544,1038 -1.367,1039 15.675,1040 -3,1041 9.559,1042 12.211,1043 0.156,1044 19.263,1045 9.338,1046 3.168,1047 -1.538,1048 17.503,1049 -3.243,1050 10.543,1051 13.578,1052 0.125,1053 21.555,1054 10.308,1055 2.594,1056 10.935,1057 19.345,1058 -4.59,1059 11.729,1060 15.144,1061 0.102,1062 23.977,1063 11.472,1064 2.262,1065 7.831,1066 21.199,1067 4.518,1068 12.8,1069 16.593,1070 0.082,1071 26.328,1072 12.527,1073 2.06,1074 6.054,1075 23.062,1076 3.13,1077 13.957,1078 18.124,1079 0.066,1080 28.73,1081 13.663,1082 1.502,1083 5.797,1084 24.932,1085 2.805,1086 15.07,1087 19.607,1088 0.054,1089 31.105,1090 14.757,1091 1.142,1092 4.348,1093 26.808,1094 2.39,1095 16.218,1096 21.124,1097 0.043,1098 33.5,1099 15.885,1100 1,1101 3.009,1102 28.69,1103 1.953,1104 17.35,1105 22.621,1106 0.035,1107 35.885,1108 16.997,1109 2278,1110 3337,1111 12.83,1112 22.353,1113 29.005,1114 28.544,1115 29.766,1116 28.741,1117 28.703,1118 36.442,1119 1.6,1120 83.513,1121 27.534,1122 5.583,1123 5.297,1124 6.131,1125 5.186,1126 5.168,1127 7.518,1128 1.2,1129 18.064,1130 5.052,1131 6.891,1132 1.527,1133 1.502,1134 1.567,1135 1.513,1136 1.511,1137 1.918,1138 0.084,1139 4.395,1140 1.449,1141 4.127,1142 4.169,1143 4.088,1144 4.014,1145 5.203,1146 4.027,1147 3.805,1148 3.874,1149 3.683,1150 3.651,1151 4.833,1152 3.65,1153 3.443,1154 3.517,1155 3.35,1156 3.27,1157 4.344,1158 3.279,1159 3.206,1160 3.307,1161 3.027,1162 2.969,1163 4.102,1164 2.968,1165 3.111,1166 3.206,1167 2.866,1168 2.941,1169 3.905,1170 2.91,1171 2.905,1172 3.003,1173 2.741,1174 2.677,1175 3.71,1176 2.686,1177 2.676,1178 2.81,1179 2.452,1180 2.386,1181 3.474,1182 2.364,1183 2.56,1184 2.672,1185 2.321,1186 2.297,1187 3.143,1188 2.31,1189 0.241,1190 0.174,1191 0.354,1192 0.218,1193 0.167,1194 4.583,1195 0.238,1196 3.297,1197 0.042,1198 6.717,1199 0.576,1200 4.145,1201 0.163,1202 3.168,1203 4.518,1204 0.8,1205 10.935,1206 3.097,1207 1.916,1208 1.879,1209 2.068,1210 2.052,1211 1.436,1212 2.058,1213 1.805,1214 1.751,1215 1.928,1216 1.981,1217 1.012,1218 1.972,1219 1.453,1220 1.385,1221 1.659,1222 1.684,1223 0.825,1224 1.677,1225 1.188,1226 1.094,1227 1.513,1228 1.477,1229 0.806,1230 1.492,1231 1.153,1232 1.064,1233 1.494,1234 1.376,1235 0.557,1236 1.429,1237 1.031,1238 0.954,1239 1.285,1240 1.286,1241 0.328,1242 1.302,1243 0.71,1244 0.597,1245 1.099,1246 1.031,1247 0.201,1248 1.064,1249 0.621,1250 0.507,1251 0.983,1252 0.9,1254 0.94,1255 3.664,1257 4.99,1258 2.398,1259 6.515,1260 4.727,1261 8.128,1262 6.843,1263 9.787,1265 2.182,1269 5.77,1271 4.749,1275 0.62,1276 2.382,1280 20.773,1281 48.361,1282 120.996,1283 150.77,1284 152.77,1285 152.77,1286 152.77,1287 18.533,1288 6.455,1289 57.94,1290 57.94,1291 17,1292 12.14,1293 3.459,1294 2.585,1295 23.684,1296 42,1297 45,1298 0.287,1299 128.758,1300 208.02,1301 305.93,1302 4497,1304 11.828,1305 0.696,1306 0.595,1307 11.828,1308 10.11,1309 8.237,1310 0.434,1311 0.324,1312 6.08,1313 7.957,1314 5.917,1315 4.907,1316 8.237,1317 6.159,1318 7.603,1319 0.282,1320 0.183,1321 7.603,1322 4.954,1323 6.397,1324 0.178,1325 0.104,1326 6.397,1327 3.732,1328 5.29,1329 0.11,1330 0.056,1331 5.29,1332 2.665,1333 4.461,1334 0.073,1335 0.032,1336 4.461,1337 1.976,1338 0.428,1339 51.271,1340 0.279,1341 16.819,1342 0.85,1343 92,1344 202.935,1345 98.605,1346 203.992,1347 288.24,1348 192,1349 109,1350 221.394,1351 116.188,1352 227.869,1353 332.9,1354 214,1355 6.377} {0 CHEMBL319920,1 1.796,2 11.333,3 3.972,4 15.779,5 100.743,6 8.287,7 0.533,8 3.975,9 4.07,10 3.787,11 3.541,12 5.039,13 3.515,14 4.551,15 4.699,16 4.096,17 3.944,18 5.883,19 3.909,20 4.796,21 4.986,22 4.134,23 4.088,24 5.91,25 4.005,26 4.888,27 5.109,28 4.033,29 4.029,30 6.045,31 3.932,32 4.755,33 4.984,34 3.954,35 3.874,36 5.841,37 3.802,38 4.58,39 4.773,40 3.933,41 3.788,42 5.995,43 3.733,44 4.486,45 4.666,46 3.791,47 3.764,48 5.634,49 3.681,50 4.508,51 4.714,52 3.663,53 3.689,54 5.662,55 3.586,56 0.128,57 0.78,58 11.43,59 4.874,60 19.359,61 5.288,62 0.566,63 1.264,64 18.64,65 7.763,66 66.104,67 9.25,68 0.441,69 1.565,70 28.668,71 10.981,72 50.674,73 12.993,74 0.714,75 1.51,76 34.978,77 11.699,78 90.789,79 14.006,80 0.632,81 1.303,82 30.71,83 9.68,84 80.133,85 11.879,86 0.851,87 1.179,88 22.768,89 7.498,90 116.67,91 9.115,92 0.397,93 1.068,94 21.801,95 8.055,96 40.954,97 9.434,98 0.596,99 1.075,100 25.546,101 8.103,102 71.722,103 9.171,104 17,105 44,106 0.304,107 0.637,108 0.774,109 0.815,110 0.815,111 0.815,112 3.34,113 1.02,114 -4.08,115 -4.03,116 -3.81,119 40.4,121 2,122 1,124 1,125 2,140 6,141 1,142 2,144 1,145 1,149 1,150 1,169 6,171 4,172 5,176 2,178 5,182 10,184 1,186 2,189 3,192 2,193 12,197 2,199 2,203 5,206 1,211 5,214 1,215 6,218 1,222 6,226 3,229 2,233 4,236 1,237 5,242 2,244 4,254 2,256 6,259 1068,260 17.919,261 17.919,262 17.919,263 17.919,264 17.919,265 15.775,266 18.829,267 10.281,268 18.406,269 14.797,270 14.797,271 14.797,272 14.797,273 14.797,274 11.488,275 19.858,276 4.9,277 15.639,278 3.759,279 1.791,280 0.984,281 0.739,282 0.739,283 0.739,284 4.033,287 1,288 1,289 1,290 667,291 3.317,294 62.647,295 243.95,298 111.113,302 1.63,303 40.155,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 60,315 306,316 4.858,317 5.249,318 7.308,319 4.311,320 3.395,321 4.711,322 3.324,323 12.509,324 3.111,325 4.58,326 3.309,327 6.718,328 4.139,329 3.163,330 4.512,331 0.8,332 10.941,333 3.053,334 3.855,335 3.051,336 5.777,337 3.56,338 2.598,339 3.404,341 7.894,342 2.5,343 3.772,344 2.844,345 5.344,346 3.365,347 2.417,348 3.133,350 6.751,351 2.282,352 3.533,353 2.739,354 5.077,355 3.187,356 2.26,357 2.816,359 6.182,360 2.089,361 3.295,362 2.448,363 5.032,364 3.009,365 2.078,366 2.391,368 5.992,369 1.92,370 3.061,371 2.111,372 4.634,373 2.535,374 1.568,375 2.267,377 4.589,378 1.503,379 2.849,380 1.522,381 4.541,382 2.471,383 1.502,384 1.954,386 4.346,387 1.451,388 2.552,389 1.196,390 3.964,391 2.093,392 1.143,393 1.568,395 3.034,396 1.082,397 2.5,398 1.077,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.047,407 1.059,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 1,417 3.294,418 1.589,419 0.636,420 0.875,422 1.561,423 0.604,424 1.233,425 0.682,426 3.153,427 0.894,428 -0.032,429 -0.038,431 -0.084,432 -0.03,433 1.119,434 0.287,435 2.655,436 0.703,437 -0.212,438 -0.247,440 -0.47,441 -0.187,442 1,443 0.02,444 2.488,445 0.627,446 -0.298,447 -0.361,449 -0.745,450 -0.276,451 12.819,452 0.475,453 0.837,454 0.031,455 35.5,456 1.315,457 17.5,458 0.648,459 18,460 0.667,461 21.637,462 0.801,463 29.781,464 0.634,465 27.063,466 1.002,467 6.698,468 0.248,469 6.223,470 0.23,471 0.113,472 0.065,473 0.304,477 1,479 0.554,480 1.228,481 0.754,482 1.277,483 0.597,484 0.966,485 0.613,486 0.965,487 0.724,488 0.86,489 0.449,490 0.886,491 0.835,492 1.083,493 0.976,494 1.135,495 0.688,496 1.074,497 0.983,498 0.889,499 1.021,500 0.996,501 0.889,502 0.978,503 0.942,504 0.803,505 0.813,506 0.846,507 0.93,508 0.829,509 0.818,510 0.766,511 0.847,512 0.793,513 0.664,514 0.887,515 0.805,516 0.997,517 1.101,518 1.181,519 0.648,520 1.103,521 1.133,522 0.788,523 1.308,524 1.031,525 1.108,526 0.989,527 7,528 0.133,529 4,530 2.007,531 1.583,532 0.983,533 0.616,534 0.569,535 0.35,536 0.155,537 8981,538 26250,539 2.088,540 42.6,541 1,542 13,543 1,545 1,547 4,550 1.701,551 1.94,552 3.459,553 -0.272,555 1,559 84.407,560 1.796,561 3.764,562 4.57,563 4.815,564 4.815,565 4.815,566 2.893,567 4.385,568 4.725,569 3.575,570 1254.92,571 8.203,572 15896.8,574 1,576 1,577 261.066,578 1.596,579 4.673,580 0.233,581 0.008,582 0.091,583 0.047,584 0.042,585 0.028,586 0.018,587 0.018,588 0.013,589 0.007,590 0.505,591 0.33,592 1,593 0.584,594 133.558,595 0.06,596 -0.155,597 0.221,598 -0.127,599 -0.095,600 0.01,601 0.217,602 0.018,603 0.092,604 0.076,605 0.255,606 0.043,607 -0.037,608 -0.1,609 -0.005,610 -0.111,611 0.037,612 -0.079,613 -0.05,614 -0.03,615 -0.001,616 -0.012,617 0.014,618 0.012,619 -0.043,620 -0.027,621 0.155,622 0.077,623 -0.065,624 0.148,625 0.229,626 0.204,627 0.066,628 0.112,629 0.276,630 0.033,631 0.002,632 -0.13,633 -0.092,634 -0.143,635 0.019,636 -0.117,637 -0.114,638 0.105,639 -0.169,640 0.033,641 -0.094,642 -0.008,643 4.99,644 5.412,645 0.778,646 23.654,647 1.018,648 1.13,649 2.852,650 8.136,651 0.677,652 3.434,653 3.807,654 4.06,655 4.317,656 4.554,657 4.654,658 4.762,659 4.905,660 4.956,661 5.024,662 6.395,663 0.649,664 389.49,665 3.434,666 5.004,667 5.861,668 6.758,669 7.634,670 8.534,671 9.418,672 10.321,673 11.208,674 12.113,675 6.4,678 1,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,713 1,714 47,716 18,717 1,718 30,720 50,721 19,722 13,723 2,724 4,730 4,731 5,740 2,741 1,743 2,745 13,746 6,747 1,750 2,753 1,755 2,761 1,762 1,764 20,765 6,766 1,767 8,768 1,773 3,777 0.75,778 3,786 1,788 1,792 1,793 3,796 1,815 1,819 3,821 1,823 1,825 1,827 27,831 1,833 4,835 1,837 1,838 1,846 1,847 6.4,850 2,852 1,854 13.917,855 8.626,856 5.708,857 2.807,858 3.006,859 1.395,860 1.016,861 4.829,862 10.619,863 3.714,864 4.379,865 4.926,866 5.519,867 6.035,868 6.379,869 6.756,870 7.13,871 7.284,872 7.621,873 0.875,874 43,875 10.365,877 4.859,878 7.991,879 19.042,881 16.283,883 2.491,884 67.25,887 1,888 223.651,889 114.292,890 36.695,892 52.858,893 14.96,894 7.75,895 106.542,896 276.509,897 51.655,898 8.396,899 9.28,900 73.655,901 61.098,902 44.457,903 33.69,904 211.88,906 223.651,907 143.237,908 67.818,909 7.75,911 191.527,912 99.943,915 31.334,916 95.117,917 24.535,919 238.611,920 89.554,921 114.292,923 7.75,924 223.651,925 32.241,926 77.426,927 16.786,928 84.604,929 223.651,930 104.514,931 114.292,933 0.599,934 0.34,935 0.174,936 0.098,937 23,938 10,939 0.08,940 4,941 1,942 1.095,943 3.856,944 236.7,945 0.095,946 21,947 118.382,950 1,951 18.268,952 7.137,953 3.802,954 1.576,955 87.728,956 9.724,957 4.437,958 3.202,961 0.46,963 16.786,964 442.457,965 40,968 -4.073,970 24.824,975 47.829,976 53.12,977 0.323,978 0.678,979 0.823,980 0.867,981 0.867,982 0.867,983 4.977,984 1.502,985 5.894,986 4.589,987 4.489,988 5.066,989 3.18,990 6.758,991 4.381,992 6.227,993 1.143,994 7.495,995 4.346,996 4.29,997 5.19,998 0.325,999 7.96,1000 4.086,1001 7.586,1002 1,1003 9.206,1004 3.034,1005 6.184,1006 7.421,1007 5.504,1008 10.998,1009 5.957,1010 8.988,1011 1,1012 10.986,1013 2.275,1014 6.781,1015 8.368,1016 0.268,1017 13.034,1018 6.451,1019 10.427,1020 0.636,1021 12.814,1022 2.275,1023 8.21,1024 10.146,1025 7.901,1026 15.681,1027 7.851,1028 11.894,1029 -0.032,1030 14.674,1031 1.561,1032 9.149,1033 11.436,1034 0.188,1035 18.019,1036 8.693,1037 13.381,1038 -0.212,1039 16.56,1040 -0.084,1041 10.418,1042 13.058,1043 10.303,1044 20.559,1045 9.916,1046 3.395,1047 -0.298,1048 18.466,1049 -0.47,1050 11.506,1051 14.49,1052 0.125,1053 23.004,1054 10.915,1055 3.163,1056 12.509,1057 20.386,1058 -0.745,1059 12.722,1060 16.056,1061 12.705,1062 25.516,1063 12.072,1064 2.598,1065 10.941,1066 22.318,1067 4.711,1068 13.874,1069 17.547,1070 0.082,1071 28,1072 13.14,1073 2.417,1074 7.894,1075 24.26,1076 4.512,1077 15.076,1078 19.092,1079 15.107,1080 30.507,1081 14.274,1082 2.26,1083 6.751,1084 26.208,1085 3.404,1086 16.256,1087 20.608,1088 0.054,1089 33.007,1090 15.373,1091 2.078,1092 6.182,1093 28.162,1094 3.133,1095 17.456,1096 22.147,1097 17.51,1098 35.516,1099 16.499,1100 1.568,1101 5.992,1102 30.121,1103 2.816,1104 18.65,1105 23.674,1106 0.035,1107 38.024,1108 17.612,1109 8531,1110 14885,1111 19.879,1112 31.818,1113 45.802,1114 47.823,1115 47.072,1116 45.682,1117 45.518,1118 60.262,1119 8.248,1120 136.698,1121 43.154,1122 5.858,1123 7.249,1124 6.722,1125 5.404,1126 5.395,1127 7.711,1128 6.648,1129 19.862,1130 5.111,1131 13.403,1132 1.527,1133 1.594,1134 1.569,1135 1.523,1136 1.517,1137 2.009,1138 0.275,1139 4.557,1140 1.438,1141 4.149,1142 4.175,1143 4.73,1144 4.066,1145 8.201,1146 4.043,1147 4.024,1148 4.004,1149 4.077,1150 3.975,1151 7.721,1152 3.93,1153 3.805,1154 3.871,1155 3.727,1156 3.653,1157 6.999,1158 3.651,1159 3.624,1160 3.592,1161 3.674,1162 3.513,1163 5.058,1164 3.453,1165 3.357,1166 3.401,1167 3.292,1168 3.222,1169 4.593,1170 3.215,1171 3.178,1172 3.268,1173 3.009,1174 2.951,1175 4.494,1176 2.947,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 4.33,1182 2.91,1183 2.854,1184 2.925,1185 2.712,1186 2.735,1187 3.919,1188 2.715,1189 0.162,1190 0.175,1191 0.244,1192 0.144,1193 0.113,1194 4.858,1195 0.157,1196 5.249,1197 0.111,1198 7.308,1199 0.417,1200 4.311,1201 0.104,1202 3.395,1203 4.711,1204 3.324,1205 12.509,1206 3.111,1207 1.949,1208 1.96,1209 2.067,1210 2.057,1211 1.436,1212 2.067,1213 1.9,1214 1.867,1215 1.963,1216 2.015,1217 1.129,1218 2.037,1219 1.796,1220 1.747,1221 1.908,1222 1.953,1223 1.009,1224 1.946,1225 1.453,1226 1.436,1227 1.659,1228 1.683,1229 0.825,1230 1.677,1231 1.371,1232 1.383,1233 1.513,1234 1.548,1235 0.806,1236 1.573,1237 1.156,1238 1.064,1239 1.485,1240 1.415,1241 0.557,1242 1.447,1243 1.153,1244 1.062,1245 1.194,1246 1.376,1247 0.447,1248 1.429,1249 0.936,1250 0.886,1251 1.181,1252 1.121,1253 0.312,1254 1.147,1255 4.111,1257 5.468,1258 2.398,1259 7.013,1260 4.727,1261 8.639,1262 6.843,1263 10.306,1265 2.107,1267 13.032,1271 4.104,1273 5.181,1275 0.381,1276 2.294,1280 30.52,1281 84.407,1282 176.885,1283 214.801,1284 226.311,1285 226.311,1286 226.311,1287 55.091,1288 7.613,1289 75.29,1290 83.67,1291 23,1292 12.635,1293 4.248,1294 3.459,1295 40.239,1296 104,1297 107,1298 0.191,1299 187.66,1300 320.59,1301 449.651,1302 21120,1303 2.1,1304 19.018,1305 0.704,1306 0.58,1307 18.398,1308 15.669,1309 12.921,1310 0.431,1311 0.34,1312 8.764,1313 11.588,1314 8.469,1315 6.983,1316 13.348,1317 10.197,1318 12.514,1319 0.284,1320 0.191,1321 13.192,1322 8.405,1323 10.179,1324 0.179,1325 0.109,1326 10.873,1327 6.222,1328 8.299,1329 0.112,1330 0.058,1331 9.183,1332 4.324,1333 6.748,1334 0.072,1335 0.033,1336 7.428,1337 3.1,1338 0.299,1339 89.922,1340 0.224,1341 25.855,1342 0.527,1343 148,1344 509.801,1345 203.078,1346 482.54,1347 647.84,1348 444,1349 175,1350 446.906,1351 239.311,1352 483.189,1353 708.79,1354 452,1355 7.523} {0 CHEMBL320079,1 1.313,2 10.75,3 4.232,4 17.906,5 84.512,6 5.966,7 0.476,8 3.873,9 4.021,10 3.234,11 3.376,12 4.796,13 3.309,14 4.438,15 4.65,16 3.49,17 3.753,18 5.254,19 3.639,20 4.694,21 4.969,22 3.477,23 3.834,24 5.418,25 3.679,26 4.65,27 4.921,28 3.389,29 3.783,30 5.379,31 3.618,32 4.611,33 4.896,34 3.291,35 3.68,36 5.361,37 3.501,38 4.517,39 4.8,40 3.119,41 3.568,42 5.243,43 3.39,44 4.389,45 4.669,46 3.008,47 3.464,48 5.144,49 3.278,50 4.295,51 4.585,52 2.831,53 3.371,54 4.952,55 3.173,56 0.067,57 0.633,58 11.509,59 4.518,60 8.171,61 6.574,62 0.138,63 0.98,64 19.705,65 7.523,66 15.333,67 10.977,68 0.203,69 1.121,70 24.644,71 9.038,72 21.948,73 13.353,74 0.189,75 1.08,76 23.625,77 8.585,78 20.441,79 12.777,80 0.258,81 0.999,82 22.673,83 8.105,84 24.414,85 12.024,86 0.21,87 0.889,88 20.642,89 7.099,90 21.132,91 10.608,92 0.219,93 0.793,94 18.165,95 6.429,96 22.885,97 9.562,98 0.16,99 0.717,100 16.284,101 5.859,102 14.715,103 8.726,104 18,105 26,106 0.23,107 0.55,108 0.757,109 0.846,110 0.882,111 0.882,112 3.056,113 1.111,114 -4.09,115 -4.04,116 -3.82,119 37,120 1,121 6,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 9,172 3,176 4,178 8,180 1,182 3,186 4,189 7,191 1,193 2,197 1,199 6,201 1,203 2,206 1,207 1,208 1,210 1,211 6,213 1,215 1,220 1,222 5,224 1,226 1,228 1,229 1,231 2,233 6,235 1,242 1,244 6,254 2,256 6,258 1,259 554,260 13.983,261 13.983,262 13.983,263 13.983,264 13.983,265 12.853,266 8.779,267 8.985,268 14.193,269 10.346,270 10.346,271 10.346,272 10.346,273 10.346,274 8.58,275 7.285,276 4.199,277 10.681,278 4.211,279 2.388,280 1.206,281 0.701,282 0.495,283 0.495,284 3.723,288 1,289 1,290 442,291 3.317,294 48.084,295 53.774,298 85.01,302 1.675,303 10.62,305 1,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 42,315 215,316 4.55,317 3.186,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 3.715,326 2.774,327 5.317,328 3.327,329 2.387,330 3.129,332 6.863,333 2.242,334 3.346,335 2.172,336 5.096,337 2.951,338 1.98,339 2.675,341 5.914,342 1.914,343 2.857,344 1.871,345 4.159,346 2.827,347 1.832,348 1.882,350 3.682,351 1.82,352 2.742,353 1.576,354 3.84,355 2.405,356 1.432,357 1.823,359 3.49,360 1.389,361 2.461,362 1.389,363 3.446,364 2.298,365 1.315,366 1.459,368 2.734,369 1.291,370 2.311,371 1.172,372 3.31,373 2.022,374 1.071,375 1.274,377 2.097,378 1.015,379 1.998,380 1.015,381 3.039,382 1.8,383 0.844,384 0.924,386 1.565,387 0.801,388 1.828,389 0.727,390 2.89,391 1.572,392 0.612,393 0.752,395 1.21,396 0.586,397 1.251,398 0.311,399 2.406,400 1.112,401 0.162,402 0.171,404 0.287,405 0.153,406 0.898,407 -0.041,408 2.17,409 0.664,410 -0.293,411 -0.33,413 -0.527,414 -0.278,415 0.674,416 -0.366,417 2,418 0.415,419 -0.549,420 -0.592,422 -0.981,423 -0.527,424 0.492,425 -0.701,426 1.861,427 0.165,428 -0.815,429 -0.975,431 -1.712,432 -0.792,433 0.31,434 -0.892,435 1.609,436 0.03,437 -0.942,438 -1.308,440 -2.517,441 -0.916,442 -0.084,443 -1.123,444 1.362,445 -0.287,446 -1.26,447 -1.368,449 -2.677,450 -1.211,451 9.633,452 0.482,453 0.239,454 0.012,455 20.25,456 1.013,457 8.5,458 0.425,459 11.75,460 0.588,461 18.056,462 0.903,463 23.367,464 0.508,465 11.443,466 0.572,467 3.521,468 0.176,469 6.326,470 0.316,471 0.093,473 0.208,479 1.065,480 1.293,481 1.071,482 1.208,483 1.194,484 1.142,485 1.157,486 1.216,487 1.084,488 1.183,489 0.938,490 1.138,491 1.144,492 0.957,493 0.916,494 0.938,495 0.886,496 0.916,497 1.117,498 1.077,499 1.019,500 1.065,501 0.887,502 1.041,503 0.946,504 1.008,505 0.965,506 1.047,507 0.895,508 1.018,509 1.579,510 0.969,511 1.083,512 0.966,513 1.324,514 0.987,515 1.251,516 1.005,517 1.089,518 1.036,519 1.009,520 1.055,521 1.359,522 0.914,523 1.085,524 0.935,525 1.123,526 0.987,527 2.5,528 0.057,529 1.556,530 0.854,531 0.653,532 0.396,533 0.217,534 0.143,535 0.089,536 0.07,537 3966,538 7100,539 2.024,540 56.5,541 11,542 7,543 1,545 3,547 4,550 1.611,551 1.935,552 3.378,553 1.005,555 1,559 60.386,560 1.313,561 3.136,562 4.317,563 4.822,564 5.029,565 5.029,566 2.909,567 4.022,568 4.282,569 3.52,570 668.741,571 7.29,572 7195.08,574 1,576 1,577 254.084,578 1.157,579 4.273,580 0.119,581 0.006,582 0.06,583 0.034,584 0.03,585 0.021,586 0.014,587 0.01,588 0.007,589 0.006,590 0.308,591 0.83,592 1,593 2.293,594 91.308,595 -0.04,596 0.028,597 0.028,598 0.016,599 -0.08,600 0.031,601 -0.05,602 -0.08,603 -0.041,604 -0.071,605 0.015,606 -0.056,607 -0.023,608 0.022,609 0.078,610 0.065,611 0.04,612 0.078,613 -0.037,614 -0.079,615 -0.025,616 -0.06,617 -0.012,618 -0.044,619 0.181,620 -0.044,621 0.023,622 -0.075,623 0.128,624 -0.047,625 -0.142,626 -0.024,627 -0.071,628 -0.011,629 -0.139,630 -0.034,631 0.031,632 -0.044,633 -0.088,634 -0.064,635 0.07,636 -0.086,637 -0.173,638 0.029,639 -0.101,640 0.031,641 -0.17,642 -0.024,643 0.824,644 2.352,645 0.45,646 19.01,647 0.981,648 1.135,649 2.863,650 8.197,651 0.622,652 3.091,653 3.296,654 3.526,655 3.761,656 3.912,657 3.951,658 4.007,659 4.025,660 3.871,661 3.784,662 6.113,663 0.567,664 274.45,665 3.091,666 4.554,667 5.361,668 6.196,669 7.038,670 7.893,671 8.752,672 9.619,673 10.487,674 11.361,675 4.3,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 46,716 10,717 1,718 21,720 47,721 17,722 8,723 3,724 3,730 2,731 3,736 2,743 6,745 8,746 9,761 1,764 26,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 20,828 1,833 8,835 1,847 2.2,852 1,854 10.333,855 8.083,856 4.806,857 3.215,858 2.063,859 1.324,860 0.955,861 6.249,862 8.425,863 3.296,864 3.812,865 4.414,866 5.032,867 5.516,868 5.827,869 6.17,870 6.469,871 6.194,872 6.14,873 1,874 25,875 7.415,877 2.938,878 7.433,879 14.833,881 11.844,883 1.933,884 38.667,885 0.002,888 270.735,889 81.353,890 49.683,892 11,895 81.353,896 281.735,897 49.683,898 8.825,899 54.802,900 37.476,902 38.787,903 13.915,904 258.964,906 270.735,907 131.035,908 11,911 223.651,912 58.084,915 80.413,916 50.622,919 270.735,920 60.683,921 81.353,924 270.735,925 35.051,926 46.301,927 16.786,928 43.897,929 270.735,930 60.683,931 81.353,933 0.535,934 0.305,935 0.17,936 0.093,937 10,938 4,939 0.191,940 9,941 1,942 1.222,943 3.394,944 133.25,945 0.222,946 9,947 86.439,951 15.237,952 8.202,953 4.433,954 2.391,955 43.897,956 8.299,958 3.28,961 2.238,963 49.683,964 412.771,965 26,975 45.134,976 52.188,977 0.238,978 0.568,979 0.782,980 0.873,981 0.91,982 0.91,983 4.46,984 0.844,985 5.273,986 2.097,987 3.97,988 4.494,989 0.908,990 6.004,991 3.91,992 5.601,993 0.612,994 6.767,995 1.565,996 3.219,997 4.227,999 6.783,1000 3.144,1001 6.873,1002 0.162,1003 8.375,1004 1.21,1005 5.451,1006 6.716,1007 0.739,1008 9.917,1009 5.342,1010 8.198,1011 -0.293,1012 10.058,1013 0.287,1014 5.673,1015 7.453,1017 11.652,1018 5.555,1019 9.572,1020 -0.549,1021 11.79,1022 -0.527,1023 7.259,1024 9.344,1025 0.593,1026 14.258,1027 7.116,1028 10.98,1029 -0.815,1030 13.559,1031 -0.981,1032 7.967,1033 10.518,1035 16.363,1036 7.819,1037 12.413,1038 -0.942,1039 15.353,1040 -1.712,1041 9.276,1042 12.178,1043 0.469,1044 18.796,1045 9.108,1046 3.092,1047 -1.26,1048 17.166,1049 -2.517,1050 10.217,1051 13.543,1053 21.044,1054 10.043,1055 2.387,1056 10.36,1057 18.993,1058 -2.677,1059 11.412,1060 15.11,1061 0.366,1062 23.417,1063 11.223,1064 1.98,1065 6.863,1066 20.831,1067 4.504,1068 12.458,1069 16.555,1071 25.72,1072 12.26,1073 1.832,1074 5.914,1075 22.677,1076 3.129,1077 13.61,1078 18.086,1079 0.283,1080 28.07,1081 13.397,1082 1.432,1083 3.682,1084 24.53,1085 2.675,1086 14.702,1087 19.565,1089 30.395,1090 14.478,1091 1.315,1092 3.49,1093 26.388,1094 1.882,1095 15.837,1096 21.081,1097 0.217,1098 32.738,1099 15.599,1100 1.071,1101 2.734,1102 28.25,1103 1.823,1104 16.949,1105 22.575,1107 35.07,1108 16.698,1109 4079,1110 5590,1111 14.099,1112 28.603,1113 29.357,1114 29.718,1115 30.715,1116 29.446,1117 29.455,1118 37.186,1119 1.72,1120 76.403,1121 28.506,1122 5.467,1123 5.186,1124 6.51,1125 5.133,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 8.402,1132 1.398,1133 1.415,1134 1.463,1135 1.402,1136 1.403,1137 1.771,1138 0.082,1139 3.638,1140 1.357,1141 4.13,1142 4.162,1143 4.088,1144 4.044,1145 5.037,1146 4.051,1147 3.768,1148 3.833,1149 3.603,1150 3.639,1151 4.958,1152 3.62,1153 3.584,1154 3.644,1155 3.456,1156 3.432,1157 4.583,1158 3.43,1159 3.493,1160 3.576,1161 3.305,1162 3.332,1163 4.196,1164 3.312,1165 3.33,1166 3.405,1167 3.177,1168 3.112,1169 4.04,1170 3.12,1171 3.115,1172 3.207,1173 2.889,1174 2.918,1175 3.838,1176 2.896,1177 2.936,1178 3.016,1179 2.784,1180 2.782,1181 3.724,1182 2.774,1183 2.711,1184 2.826,1185 2.432,1186 2.449,1187 3.425,1188 2.424,1189 0.217,1190 0.152,1191 0.312,1192 0.194,1193 0.147,1194 4.55,1195 0.214,1196 3.186,1197 0.041,1198 6.546,1199 0.493,1200 4.076,1201 0.145,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.044,1210 2.029,1211 1.375,1212 2.03,1213 1.773,1214 1.711,1215 2.011,1216 1.932,1217 1.225,1218 1.967,1219 1.649,1220 1.59,1221 1.855,1222 1.846,1223 1.106,1224 1.854,1225 1.527,1226 1.456,1227 1.824,1228 1.733,1229 1.011,1230 1.767,1231 1.286,1232 1.201,1233 1.542,1234 1.571,1235 0.748,1236 1.568,1237 1.166,1238 1.084,1239 1.511,1240 1.421,1241 0.555,1242 1.458,1243 0.957,1244 0.894,1245 1.223,1246 1.192,1247 0.399,1248 1.207,1249 0.776,1250 0.699,1251 1.164,1252 1.05,1253 0.243,1254 1.099,1255 3.761,1257 4.99,1258 2.398,1259 6.418,1260 4.727,1261 7.955,1262 6.823,1263 9.561,1265 2.238,1269 5.642,1271 8.728,1273 5.852,1280 26.079,1281 60.386,1282 144.254,1283 198.6,1284 221.819,1285 231.329,1286 231.329,1287 30.059,1288 6.361,1289 51.04,1290 51.04,1291 11,1292 11.903,1293 3.459,1294 2.585,1295 36.785,1296 71,1297 88,1298 0.252,1299 164.929,1300 276.37,1301 394.186,1302 4309,1304 14.209,1305 0.71,1306 0.623,1307 14.209,1308 12.452,1309 9.847,1310 0.469,1311 0.37,1312 7.712,1313 9.597,1314 7.524,1315 6.342,1316 9.847,1317 7.777,1318 7.786,1319 0.299,1320 0.205,1321 7.786,1322 5.323,1323 6.296,1324 0.191,1325 0.111,1326 6.296,1327 3.669,1328 5.142,1329 0.122,1330 0.06,1331 5.142,1332 2.505,1333 3.957,1334 0.081,1335 0.033,1336 3.957,1337 1.595,1338 0.405,1339 60.797,1340 0.266,1341 20.569,1342 0.66,1343 94,1344 209.381,1345 99.958,1346 204.252,1347 285.84,1348 194,1349 106,1350 212.849,1351 111.82,1352 215.842,1353 314.71,1354 205,1355 8.31} {0 CHEMBL320198,1 1.638,2 11.346,3 2.976,4 8.855,5 97.569,6 7.683,7 0.552,8 3.945,9 4.074,10 3.54,11 3.465,12 5.062,13 3.461,14 4.495,15 4.68,16 3.912,17 3.879,18 5.607,19 3.851,20 4.759,21 4.975,22 3.935,23 4.011,24 5.831,25 3.943,26 4.826,27 5.081,28 3.813,29 3.941,30 5.875,31 3.846,32 4.693,33 4.962,34 3.725,35 3.795,36 5.666,37 3.717,38 4.537,39 4.776,40 3.716,41 3.696,42 5.764,43 3.649,44 4.432,45 4.661,46 3.597,47 3.634,48 5.526,49 3.58,50 4.399,51 4.643,52 3.473,53 3.557,54 5.542,55 3.484,56 0.055,57 0.798,58 8.941,59 3.877,60 7.646,61 5.108,62 0.283,63 1.278,64 17.678,65 6.681,66 24.363,67 9.039,68 0.331,69 1.521,70 24.905,71 9.172,72 44.356,73 12.467,74 0.486,75 1.437,76 28.968,77 9.283,78 67.264,79 13.463,80 0.37,81 1.235,82 25.675,83 7.741,84 45.808,85 11.656,86 0.558,87 1.157,88 21.027,89 5.809,90 69.932,91 8.66,92 0.303,93 1.054,94 18.307,95 5.661,96 35.151,97 8.159,98 0.479,99 0.995,100 18.665,101 5.576,102 52.297,103 7.959,104 10,105 41,106 0.28,107 0.666,108 0.807,109 0.821,110 0.821,111 0.821,112 3.304,113 0.899,114 -3.75,115 -3.72,116 -3.53,119 41.3,121 2,122 1,124 1,125 2,140 4,141 2,142 1,143 1,144 1,148 1,149 1,150 1,156 1,169 7,171 1,172 4,174 3,176 2,178 7,182 4,184 2,186 3,189 2,192 2,193 8,197 5,203 5,207 1,208 1,214 1,215 7,218 1,220 2,222 1,226 1,229 1,231 1,233 3,236 1,237 2,240 1,242 2,244 6,254 2,256 6,259 968,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 15.629,266 20.514,267 10.251,268 17.982,269 14.303,270 14.303,271 14.303,272 14.303,273 14.303,274 11.279,275 25.416,276 4.898,277 14.929,278 3.886,279 1.62,280 0.799,281 0.712,282 0.712,283 0.712,284 4.002,287 1,288 1,289 1,290 646,291 2.828,294 59.335,295 232.544,298 105.574,302 1.68,303 28.852,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57,315 295,316 4.587,317 3.574,318 6.719,319 4.147,320 3.174,321 4.52,322 1.058,323 10.946,324 3.093,325 4.193,326 3.295,327 6.057,328 3.835,329 2.839,330 3.763,331 0.8,332 8.718,333 2.824,334 3.82,335 2.885,336 5.772,337 3.554,338 2.595,339 3.214,341 7.868,342 2.489,343 3.667,344 2.782,345 5.262,346 3.3,347 2.367,348 2.974,350 6.675,351 2.2,352 3.5,353 2.536,354 5.034,355 3.144,356 2.207,357 2.798,359 6.012,360 2.054,361 3.295,362 2.243,363 4.997,364 3.001,365 2.065,366 2.391,368 5.916,369 1.92,370 2.856,371 1.96,372 4.547,373 2.457,374 1.502,375 1.965,377 4.361,378 1.432,379 2.775,380 1.522,381 4.06,382 2.28,383 1.296,384 1.798,386 3.407,387 1.258,388 2.543,389 1.18,390 3.933,391 2.073,392 1.115,393 1.547,395 2.953,396 1.063,397 2.5,398 1.077,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.041,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.753,417 3.241,418 1.551,419 0.622,420 0.86,422 1.52,423 0.576,424 1.22,425 0.497,426 2.787,427 0.885,428 -0.057,429 -0.067,431 -0.138,432 -0.053,433 1.113,434 0.334,435 2.486,436 0.715,437 -0.221,438 -0.251,440 -0.489,441 -0.203,442 0.841,443 -0.03,444 2.267,445 0.613,446 -0.361,447 -0.467,449 -0.849,450 -0.342,451 12.119,452 0.466,453 0.661,454 0.025,455 33.75,456 1.298,457 16,458 0.615,459 17.75,460 0.683,461 20.346,462 0.783,463 28.081,464 0.61,465 24.306,466 0.935,467 6.573,468 0.253,469 6.025,470 0.232,471 0.092,473 0.363,477 1,479 0.682,480 1.266,481 0.733,482 1.093,483 0.52,484 0.949,485 0.675,486 0.952,487 0.825,488 0.946,489 0.495,490 0.915,491 0.865,492 1.091,493 0.982,494 1.144,495 0.8,496 1.101,497 0.83,498 0.956,499 0.959,500 1.014,501 0.807,502 1.013,503 0.748,504 0.855,505 0.803,506 0.864,507 0.654,508 0.839,509 0.832,510 0.782,511 0.984,512 0.824,513 0.625,514 0.891,515 0.938,516 1.016,517 1.02,518 1.003,519 0.802,520 1.005,521 0.957,522 0.572,523 1.067,524 0.794,525 0.97,526 0.916,527 5.5,528 0.104,529 3.333,530 1.507,531 1.383,532 0.782,533 0.454,534 0.466,535 0.3,536 0.136,537 8422,538 22800,539 2.124,540 43.5,541 1,542 11,543 1,544 1,545 2,547 4,550 1.689,551 2,552 3.474,553 0.289,554 1,555 1,559 75.325,560 1.638,561 3.903,562 4.725,563 4.811,564 4.811,565 4.811,566 2.917,567 3.95,568 4.67,569 3.586,570 1165.32,571 8.086,572 14530.1,574 1,576 1,577 254.084,578 1.37,579 4.637,580 0.19,581 0.006,582 0.081,583 0.038,584 0.041,585 0.024,586 0.015,587 0.017,588 0.013,589 0.006,590 0.43,591 0.5,592 1,593 0.54,594 127.614,595 -0.056,596 -0.18,597 0.046,598 -0.049,599 -0.019,600 0.008,601 0.056,602 0.069,603 0.038,604 0.044,605 0.088,606 0.037,607 -0.032,608 -0.113,609 -0.059,610 -0.139,611 0.015,612 -0.113,613 0.014,614 -0.103,615 0.022,616 -0.051,617 0.03,618 -0.021,619 -0.002,620 -0.08,621 0.183,622 0.069,623 0.017,624 0.149,625 0.113,626 0.15,627 -0.013,628 0.068,629 0.181,630 0.021,631 -0.08,632 -0.075,633 -0.078,634 -0.067,635 -0.05,636 -0.063,637 0.034,638 0.339,639 -0.084,640 0.13,641 -0.007,642 0.024,643 2.047,644 5.296,645 0.808,646 23.42,647 1.009,648 1.138,649 2.522,650 6.361,651 0.663,652 3.401,653 3.738,654 4.007,655 4.263,656 4.511,657 4.585,658 4.691,659 4.844,660 4.905,661 4.963,662 6.423,663 0.64,664 353.44,665 3.401,666 4.949,667 5.802,668 6.681,669 7.552,670 8.436,671 9.315,672 10.202,673 11.086,674 11.976,675 10.9,678 1,682 1,683 1,685 2,687 2,688 6,689 2,690 1,693 4,695 16,702 1,713 1,714 46,716 17,717 1,718 29,720 49,721 19,722 12,723 2,724 4,725 1,730 4,731 5,740 2,741 1,743 2,745 13,746 6,747 1,750 1,755 1,759 1,760 1,761 1,762 1,764 20,765 6,766 2,767 7,773 5,777 0.75,778 1,787 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 26,833 4,834 1,837 1,838 1,846 1,847 2.2,850 1,854 13,855 8.493,856 5.611,857 2.791,858 3.019,859 1.399,860 1.013,861 4.601,862 10.583,863 3.664,864 4.273,865 4.867,866 5.457,867 5.98,868 6.283,869 6.649,870 7.043,871 7.199,872 7.523,873 0.875,874 40,875 9.644,877 4.194,878 7.846,879 18.362,881 15.393,883 2.346,884 61,887 1,888 211.88,889 100.061,890 71.492,892 25.145,893 14.96,895 100.061,896 237.025,897 86.452,898 8.396,899 27.291,900 46.952,901 75.192,902 46.594,903 30.774,904 188.338,906 211.88,907 171.553,908 40.105,911 179.756,912 72.229,915 60.292,916 77.69,917 33.571,919 226.84,920 96.637,921 100.061,924 211.88,925 35.665,926 67.521,927 34.796,928 73.676,929 211.88,930 111.597,931 100.061,933 0.588,934 0.339,935 0.176,936 0.101,937 21,938 9,939 0.061,940 3,941 1,942 1.095,943 3.856,944 221.096,945 0.095,946 21,947 114.211,951 16.984,952 7.044,953 3.59,954 1.711,955 94.811,956 9.057,957 8.754,958 3.222,961 1.405,963 34.796,964 423.537,965 38,970 12.296,974 -0.36,975 46.418,976 52.362,977 0.296,978 0.707,979 0.855,980 0.871,981 0.871,982 0.871,983 4.905,984 1.296,985 5.79,986 4.361,987 4.419,988 4.959,989 1.435,990 6.592,991 4.341,992 6.109,993 1.115,994 7.344,995 3.407,996 4.007,997 4.783,998 0.325,999 7.466,1000 3.896,1001 7.415,1002 1,1003 8.994,1004 2.953,1005 6.009,1006 7.172,1007 1.379,1008 10.552,1009 5.869,1010 8.756,1011 1,1012 10.701,1013 2.275,1014 6.399,1015 7.849,1016 0.268,1017 12.275,1018 6.244,1019 10.129,1020 0.622,1021 12.445,1022 2.275,1023 7.874,1024 9.717,1025 1.406,1026 14.886,1027 7.692,1028 11.526,1029 -0.057,1030 14.216,1031 1.52,1032 8.638,1033 10.809,1034 0.188,1035 16.977,1036 8.449,1037 12.943,1038 -0.221,1039 16.008,1040 -0.138,1041 9.899,1042 12.461,1043 1.462,1044 19.431,1045 9.685,1046 3.174,1047 -0.361,1048 17.816,1049 -0.489,1050 10.85,1051 13.762,1052 0.125,1053 21.688,1054 10.626,1055 2.839,1056 10.946,1057 19.638,1058 -0.849,1059 12.024,1060 15.322,1061 1.533,1062 24.091,1063 11.777,1064 2.595,1065 8.718,1066 21.472,1067 4.52,1068 13.067,1069 16.727,1070 0.082,1071 26.42,1072 12.806,1073 2.367,1074 7.868,1075 23.314,1076 3.763,1077 14.209,1078 18.249,1079 1.613,1080 28.808,1081 13.926,1082 2.207,1083 6.675,1084 25.165,1085 3.214,1086 15.299,1087 19.705,1088 0.054,1089 31.17,1090 14.997,1091 2.065,1092 6.012,1093 27.023,1094 2.974,1095 16.433,1096 21.213,1097 1.698,1098 33.556,1099 16.107,1100 1.502,1101 5.916,1102 28.887,1103 2.798,1104 17.546,1105 22.694,1106 0.035,1107 35.933,1108 17.199,1109 7956,1110 13293,1111 19.592,1112 30.512,1113 44.103,1114 44.915,1115 45.037,1116 43.645,1117 43.564,1118 56.664,1119 3.717,1120 125.856,1121 41.784,1122 5.587,1123 5.574,1124 6.133,1125 5.219,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.093,1131 11.599,1132 1.521,1133 1.549,1134 1.553,1135 1.505,1136 1.502,1137 1.954,1138 0.128,1139 4.34,1140 1.441,1141 4.124,1142 4.169,1143 4.089,1144 3.994,1145 8.201,1146 4.011,1147 3.92,1148 3.944,1149 3.875,1150 3.842,1151 7.429,1152 3.845,1153 3.799,1154 3.87,1155 3.681,1156 3.63,1157 5.103,1158 3.634,1159 3.463,1160 3.526,1161 3.414,1162 3.213,1163 4.603,1164 3.255,1165 3.25,1166 3.329,1167 3.149,1168 3.038,1169 4.495,1170 3.052,1171 3.113,1172 3.206,1173 2.991,1174 2.941,1175 4.323,1176 2.91,1177 3.111,1178 3.171,1179 2.866,1180 2.879,1181 3.995,1182 2.895,1183 2.854,1184 2.925,1185 2.703,1186 2.735,1187 3.745,1188 2.715,1189 0.158,1190 0.123,1191 0.232,1192 0.143,1193 0.109,1194 4.587,1195 0.156,1196 3.574,1197 0.036,1198 6.719,1199 0.377,1200 4.147,1201 0.107,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.093,1207 1.909,1208 1.88,1209 2.065,1210 2.055,1211 1.436,1212 2.056,1213 1.882,1214 1.846,1215 1.99,1216 2.007,1217 1.062,1218 2.001,1219 1.754,1220 1.699,1221 1.836,1222 1.944,1223 0.925,1224 1.924,1225 1.452,1226 1.383,1227 1.658,1228 1.685,1229 0.825,1230 1.677,1231 1.236,1232 1.192,1233 1.513,1234 1.516,1235 0.777,1236 1.5,1237 1.153,1238 1.064,1239 1.488,1240 1.381,1241 0.558,1242 1.429,1243 1.125,1244 1.038,1245 1.308,1246 1.376,1247 0.32,1248 1.38,1249 0.886,1250 0.821,1251 1.181,1252 1.064,1253 0.254,1254 1.107,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.528,1262 6.843,1263 10.173,1265 2.136,1267 12.999,1271 4.308,1272 2.691,1275 0.454,1276 2.328,1280 29.42,1281 75.325,1282 179.555,1283 217.329,1284 221.329,1285 221.329,1286 221.329,1287 44.412,1288 7.564,1289 73.91,1290 73.91,1291 23,1292 12.506,1293 4.17,1294 3.322,1295 38.116,1296 101,1297 104,1298 0.187,1299 179.198,1300 303.86,1301 429.003,1302 20221,1303 2.2,1304 18.096,1305 0.696,1306 0.558,1307 17.225,1308 14.498,1309 12.597,1310 0.434,1311 0.3,1312 8.553,1313 12.047,1314 8.38,1315 6.92,1316 12.204,1317 8.694,1318 11.597,1319 0.283,1320 0.164,1321 10.975,1322 6.738,1323 9.814,1324 0.182,1325 0.091,1326 9.403,1327 4.936,1328 7.949,1329 0.114,1330 0.049,1331 7.797,1332 3.397,1333 6.608,1334 0.073,1335 0.027,1336 6.397,1337 2.441,1338 0.294,1339 79.449,1340 0.226,1341 25.189,1342 0.509,1343 140,1344 449.448,1345 155.509,1346 411.403,1347 555.92,1348 384,1349 165,1350 406.237,1351 180.284,1352 406.659,1353 594.99,1354 382,1355 5.721} {0 CHEMBL321080,1 1.607,2 10,3 3.37,4 11.356,5 97.733,6 7.738,7 0.556,8 3.893,9 4.017,10 3.552,11 3.487,12 4.924,13 3.436,14 4.446,15 4.624,16 3.92,17 3.91,18 5.433,19 3.829,20 4.69,21 4.908,22 3.885,23 3.98,24 5.622,25 3.871,26 4.751,27 5.004,28 3.767,29 3.938,30 5.699,31 3.813,32 4.665,33 4.93,34 3.708,35 3.829,36 5.565,37 3.706,38 4.485,39 4.722,40 3.661,41 3.754,42 5.432,43 3.643,44 4.402,45 4.626,46 3.574,47 3.698,48 5.372,49 3.569,50 4.381,51 4.635,52 3.454,53 3.581,54 5.293,55 3.431,56 0.026,57 0.691,58 9.427,59 4.084,60 6.072,61 5.259,62 0.189,63 1.151,64 19.129,65 7.227,66 17.297,67 9.382,68 0.227,69 1.357,70 26.784,71 9.307,72 26.419,73 12.48,74 0.259,75 1.358,76 27.788,77 9.788,78 40.162,79 13.532,80 0.285,81 1.253,82 26.267,83 8.629,84 36.601,85 12.043,86 0.257,87 1.113,88 21.517,89 7.16,90 24.627,91 9.574,92 0.172,93 0.999,94 19.471,95 7.172,96 24.464,97 9.537,98 0.256,99 0.941,100 20.554,101 6.722,102 28.425,103 8.95,104 5,105 38,106 0.277,107 0.658,108 0.814,109 0.845,110 0.845,111 0.845,112 3.229,113 1.011,114 -3.58,115 -3.55,116 -3.39,119 40.9,121 2,122 1,124 1,125 2,140 4,141 1,144 1,145 1,149 2,150 2,156 1,169 5,172 4,174 2,176 3,178 5,182 5,184 1,186 5,189 1,192 1,193 5,197 4,199 2,203 3,207 1,208 1,211 5,214 1,215 2,218 1,220 2,222 5,226 2,229 1,233 3,237 3,240 1,242 2,244 3,254 1,256 5,259 802,260 16.447,261 16.447,262 16.447,263 16.447,264 16.447,265 14.629,266 18.887,267 9.664,268 16.905,269 13.336,270 13.336,271 13.336,272 13.336,273 13.336,274 10.541,275 24.753,276 4.611,277 14.063,278 3.852,279 1.648,280 0.744,281 0.563,282 0.563,283 0.563,284 3.926,287 1,288 1,289 1,290 529,291 2.739,294 119.404,295 131.341,298 94.302,302 1.583,303 17.524,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 51,315 240,316 4.587,317 3.574,318 6.719,319 4.15,320 3.174,321 4.52,322 1.058,323 10.946,324 3.099,325 4.173,326 3.295,327 6.054,328 3.781,329 2.827,330 3.709,331 0.8,332 8.703,333 2.687,334 3.797,335 2.783,336 5.771,337 3.551,338 2.589,339 3.174,341 7.865,342 2.493,343 3.571,344 2.54,345 5.249,346 3.231,347 2.301,348 2.844,350 6.626,351 2.136,352 3.3,353 2.268,354 5.033,355 3.046,356 2.107,357 2.392,359 5.999,360 1.969,361 3.148,362 2.164,363 4.548,364 2.616,365 1.648,366 2.356,368 4.367,369 1.573,370 2.848,371 1.522,372 4.211,373 2.471,374 1.502,375 1.952,377 3.932,378 1.451,379 2.553,380 1.18,381 3.956,382 2.097,383 1.147,384 1.57,386 3.021,387 1.086,388 2.283,389 1.077,390 3.414,391 1.984,392 1,393 1.135,395 2.275,396 0.983,397 2.118,398 1.038,399 3.284,400 1.75,401 0.797,402 1,404 1.907,405 0.744,406 2.037,407 0.744,408 3.185,409 1.561,410 0.618,411 0.927,413 1.461,414 0.571,415 2,416 0.618,417 3,418 1.461,419 0.599,420 0.842,422 1.372,423 0.506,424 1.215,425 0.402,426 2.639,427 0.866,428 -0.105,429 -0.122,431 -0.248,432 -0.101,433 0.842,434 -0.028,435 2.484,436 0.656,437 -0.314,438 -0.373,440 -0.772,441 -0.301,442 0.638,443 -0.496,444 2.207,445 0.128,446 -0.857,447 -1,449 -2.209,450 -0.84,451 11.767,452 0.49,453 0.554,454 0.023,455 30,456 1.25,457 14,458 0.583,459 16,460 0.667,461 19.992,462 0.833,463 25.433,464 0.578,465 19.464,466 0.811,467 5.562,468 0.232,469 6.141,470 0.256,471 0.071,473 0.331,479 0.818,480 1.275,481 0.752,482 0.931,483 0.565,484 0.904,485 0.83,486 1.034,487 0.896,488 0.906,489 0.514,490 0.905,491 0.888,492 1.159,493 0.944,494 1.109,495 0.803,496 1.079,497 0.907,498 1.015,499 0.782,500 0.892,501 0.853,502 0.959,503 1.074,504 0.904,505 0.731,506 0.76,507 1.088,508 0.842,509 1.143,510 0.854,511 0.94,512 0.825,513 0.929,514 0.905,515 0.848,516 1.076,517 0.938,518 1.025,519 0.807,520 1.066,521 1.295,522 0.777,523 0.925,524 0.81,525 1.418,526 0.91,527 4.5,528 0.048,529 2.889,530 1.285,531 1.251,532 0.549,533 0.443,534 0.379,535 0.234,536 0.087,537 6741,538 16349,539 2.161,540 45.5,541 1,542 11,543 2,545 2,547 4,550 1.669,551 2.057,552 3.322,553 0.296,554 1,555 1,559 70.718,560 1.607,561 3.811,562 4.715,563 4.897,564 4.897,565 4.897,566 2.757,567 4.085,568 4.555,569 3.446,570 951.062,571 7.86,572 11075,574 1,576 1,577 240.215,578 1.281,579 4.532,580 0.167,581 0.004,582 0.076,583 0.037,584 0.039,585 0.019,586 0.016,587 0.015,588 0.012,589 0.005,590 0.39,591 0.5,592 1,593 0.49,594 113.886,595 -0.051,596 -0.122,597 0.071,598 0.028,599 -0.014,600 0.034,601 0.05,602 0.074,603 0.023,604 0.063,605 0.101,606 0.038,607 0.021,608 -0.159,609 -0.044,610 -0.17,611 0.044,612 -0.116,613 0.05,614 -0.085,615 0.041,616 -0.024,617 0.118,618 0.005,619 -0.023,620 0.032,621 0.121,622 0.104,623 -0.039,624 0.113,625 -0.088,626 0.182,627 -0.031,628 0.074,629 -0.065,630 0.025,631 0.05,632 -0.088,633 -0.032,634 -0.081,635 0.04,636 -0.097,637 -0.119,638 0.181,639 0.041,640 0.127,641 -0.16,642 0.049,643 1.77,644 5.218,645 0.833,646 20.486,647 0.997,648 1.124,649 2.351,650 5.526,651 0.687,652 3.332,653 3.664,654 3.951,655 4.22,656 4.394,657 4.5,658 4.635,659 4.796,660 4.844,661 4.89,662 5.899,663 0.641,664 340.49,665 3.332,666 4.875,667 5.733,668 6.613,669 7.488,670 8.374,671 9.256,672 10.145,673 11.032,674 11.923,675 9.1,678 1,682 1,683 1,685 1,687 2,688 6,689 1,690 1,692 1,693 3,695 15,702 1,714 44,716 16,718 27,720 47,721 18,722 11,725 1,730 4,731 5,740 2,741 1,743 2,745 12,746 6,747 1,750 1,755 1,759 1,760 1,761 1,764 20,765 4,766 2,767 6,768 1,773 4,777 0.75,778 1,786 1,788 1,792 2,793 2,796 1,815 1,819 3,821 1,823 1,827 24,833 4,834 1,837 1,838 1,842 1,847 2.3,850 1,854 11.667,855 8.067,856 5.194,857 2.681,858 2.743,859 1.373,860 1.022,861 4.378,862 10.104,863 3.597,864 4.197,865 4.804,866 5.405,867 5.808,868 6.184,869 6.578,870 7.012,871 7.14,872 7.446,873 0.857,874 35,875 8.898,877 3.83,878 7.59,879 17.395,881 14.762,883 2.09,884 50.167,887 1,888 211.88,889 119.421,890 54.706,892 25.145,894 31.278,895 88.143,896 237.025,897 54.706,898 8.396,899 27.291,900 54.601,901 46.635,902 25.24,903 29.373,904 219.615,906 211.88,907 142.849,908 25.145,909 31.278,911 164.795,912 72.229,915 49.345,916 76.719,917 16.786,918 31.278,919 211.88,920 79.851,921 119.421,924 211.88,925 56.423,926 66.122,927 34.796,928 41.93,929 211.88,930 79.851,931 119.421,933 0.585,934 0.343,935 0.184,936 0.094,937 20,938 8,939 0.064,940 3,941 1,942 1.1,943 3.705,944 199.631,945 0.1,946 20,947 106.039,948 1,951 15.793,952 6.653,953 3.267,954 2.006,955 63.066,956 11.515,957 4.707,958 3.318,960 1.431,961 2.571,963 34.796,964 411.152,965 35.5,970 12.218,974 -0.103,975 43.88,976 49.444,977 0.294,978 0.698,979 0.864,980 0.897,981 0.897,982 0.897,983 4.834,984 1.147,985 5.714,986 3.932,987 4.344,988 4.883,989 1.435,990 6.521,991 4.25,992 6.03,993 1,994 7.268,995 3.021,996 3.892,997 4.663,998 0.325,999 7.402,1000 3.778,1001 7.332,1002 0.797,1003 8.92,1004 2.275,1005 5.932,1006 7.09,1007 1.379,1008 10.507,1009 5.763,1010 8.672,1011 0.618,1012 10.633,1013 1.907,1014 6.33,1015 7.792,1016 0.268,1017 12.25,1018 6.142,1019 10.048,1020 0.599,1021 12.385,1022 1.461,1023 7.808,1024 9.644,1025 1.406,1026 14.864,1027 7.58,1028 11.45,1029 -0.105,1030 14.164,1031 1.372,1032 8.59,1033 10.773,1034 0.188,1035 16.967,1036 8.345,1037 12.872,1038 -0.314,1039 15.964,1040 -0.248,1041 9.849,1042 12.405,1043 1.462,1044 19.422,1045 9.573,1046 3.174,1047 -0.857,1048 17.78,1049 -0.772,1050 10.814,1051 13.736,1052 0.125,1053 21.683,1054 10.521,1055 2.827,1056 10.946,1057 19.608,1058 -2.209,1059 11.987,1060 15.283,1061 1.533,1062 24.086,1063 11.669,1064 2.589,1065 8.703,1066 21.447,1067 4.52,1068 13.04,1069 16.706,1070 0.082,1071 26.417,1072 12.704,1073 2.301,1074 7.865,1075 23.295,1076 3.709,1077 14.183,1078 18.222,1079 1.613,1080 28.806,1081 13.824,1082 2.107,1083 6.626,1084 25.149,1085 3.174,1086 15.278,1087 19.689,1088 0.054,1089 31.168,1090 14.901,1091 1.648,1092 5.999,1093 27.01,1094 2.844,1095 16.413,1096 21.194,1097 1.698,1098 33.555,1099 16.015,1100 1.502,1101 4.367,1102 28.877,1103 2.392,1104 17.53,1105 22.681,1106 0.035,1107 35.932,1108 17.113,1109 6325,1110 10030,1111 18.493,1112 30.216,1113 41.274,1114 41.519,1115 41.295,1116 40.55,1117 40.618,1118 52.842,1119 3.717,1120 116.953,1121 38.598,1122 5.587,1123 5.574,1124 6.316,1125 5.243,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.062,1131 8.825,1132 1.529,1133 1.538,1134 1.529,1135 1.502,1136 1.504,1137 1.957,1138 0.138,1139 4.332,1140 1.43,1141 4.132,1142 4.173,1143 4.229,1144 4.021,1145 7.429,1146 4.032,1147 3.871,1148 3.885,1149 4.083,1150 3.901,1151 5.039,1152 3.821,1153 3.803,1154 3.862,1155 3.685,1156 3.652,1157 4.638,1158 3.651,1159 3.464,1160 3.524,1161 3.417,1162 3.288,1163 4.42,1164 3.302,1165 3.234,1166 3.32,1167 3.119,1168 3.006,1169 4.318,1170 3.02,1171 3.111,1172 3.206,1173 2.969,1174 2.941,1175 3.913,1176 2.91,1177 3.097,1178 3.146,1179 2.866,1180 2.88,1181 3.711,1182 2.89,1183 2.81,1184 2.893,1185 2.693,1186 2.578,1187 3.619,1188 2.598,1189 0.17,1190 0.132,1191 0.249,1192 0.154,1193 0.118,1194 4.587,1195 0.167,1196 3.574,1197 0.039,1198 6.719,1199 0.405,1200 4.15,1201 0.115,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.099,1207 1.919,1208 1.883,1209 2.068,1210 2.054,1211 1.436,1212 2.059,1213 1.809,1214 1.757,1215 1.928,1216 1.986,1217 1.026,1218 1.976,1219 1.542,1220 1.527,1221 1.673,1222 1.71,1223 0.825,1224 1.693,1225 1.452,1226 1.386,1227 1.659,1228 1.653,1229 0.809,1230 1.656,1231 1.391,1232 1.381,1233 1.513,1234 1.502,1235 0.729,1236 1.531,1237 1.17,1238 1.082,1239 1.494,1240 1.407,1241 0.596,1242 1.444,1243 1.153,1244 1.064,1245 1.371,1246 1.376,1247 0.557,1248 1.429,1249 1.005,1250 0.949,1251 1.178,1252 1.152,1253 0.341,1254 1.195,1255 4.007,1257 5.333,1258 3.045,1259 6.843,1260 5.283,1261 8.437,1262 7.298,1263 10.078,1265 2.169,1271 4.534,1272 2.902,1275 0.533,1276 2.367,1280 28.202,1281 70.718,1282 167.686,1283 207.46,1284 215.46,1285 215.46,1286 215.46,1287 33.032,1288 7.361,1289 61.02,1290 89.26,1291 22,1292 12.452,1293 4.087,1294 3.248,1295 33.88,1296 84,1297 85,1298 0.197,1299 175.672,1300 290.64,1301 420.399,1302 15306,1304 16.518,1305 0.688,1306 0.6,1307 16.872,1308 14.397,1309 11.704,1310 0.433,1311 0.337,1312 8.197,1313 10.849,1314 7.921,1315 6.547,1316 12.158,1317 9.099,1318 10.622,1319 0.28,1320 0.192,1321 11.205,1322 7.293,1323 9.153,1324 0.179,1325 0.109,1326 9.869,1327 5.565,1328 7.62,1329 0.114,1330 0.059,1331 8.231,1332 3.925,1333 5.784,1334 0.072,1335 0.031,1336 6.07,1337 2.506,1338 0.307,1339 77.307,1340 0.233,1341 23.412,1342 0.547,1343 130,1344 336.552,1345 162.129,1346 351.027,1347 485.71,1348 330,1349 154,1350 346.839,1351 183.72,1352 367.617,1353 539.18,1354 346,1355 6.187} {0 CHEMBL321343,1 1.634,2 10.964,3 3.311,4 10.962,5 106.224,6 7.744,7 0.516,8 4.009,9 4.132,10 3.608,11 3.526,12 5.161,13 3.52,14 4.55,15 4.72,16 3.974,17 3.948,18 5.754,19 3.92,20 4.821,21 5.03,22 4.031,23 4.097,24 5.872,25 4.035,26 4.926,27 5.161,28 4.012,29 4.059,30 6.064,31 3.991,32 4.851,33 5.09,34 3.929,35 3.917,36 6.17,37 3.863,38 4.634,39 4.861,40 3.746,41 3.819,42 5.717,43 3.76,44 4.549,45 4.762,46 3.753,47 3.783,48 5.726,49 3.723,50 4.563,51 4.798,52 3.6,53 3.71,54 5.657,55 3.64,56 0.153,57 0.77,58 9.455,59 4.088,60 9.66,61 5.425,62 0.346,63 1.233,64 18.254,65 7.058,66 49.048,67 9.624,68 0.311,69 1.502,70 25.798,71 9.551,72 39.378,73 13.359,74 0.531,75 1.524,76 31.131,77 10.209,78 65.747,79 14.569,80 0.808,81 1.363,82 30.207,83 8.781,84 132.193,85 12.619,86 0.479,87 1.197,88 22.878,89 7.096,90 55.825,91 9.909,92 0.354,93 1.113,94 20.035,95 6.971,96 42.618,97 9.967,98 0.409,99 1.05,100 21.847,101 6.931,102 53.438,103 9.646,104 18,105 44,106 0.273,107 0.645,108 0.788,109 0.841,110 0.848,111 0.848,112 3.375,113 0.894,114 -4.05,115 -4,116 -3.79,119 40.8,121 2,122 1,124 1,125 2,140 6,141 2,142 1,144 1,145 1,149 1,150 1,156 1,164 2,169 8,171 1,172 7,174 2,176 4,178 7,182 10,184 1,186 4,189 3,192 2,193 12,195 1,197 5,199 3,202 2,203 5,206 2,207 1,208 2,211 5,214 2,215 4,218 1,220 2,222 6,225 2,226 6,229 1,231 1,233 5,237 6,240 1,242 1,244 6,249 3,252 1,254 2,256 5,259 1186,260 18.861,261 18.861,262 18.861,263 18.861,264 18.861,265 16.609,266 23.84,267 11.003,268 19.17,269 15.287,270 15.287,271 15.287,272 15.287,273 15.287,274 11.844,275 30.842,276 5.201,277 15.763,278 3.98,279 1.759,280 0.903,281 0.587,282 0.546,283 0.546,284 4.07,287 1,288 1,289 1,290 664,291 3.317,294 63.807,295 250.927,298 112.732,302 1.755,303 33.824,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.5,315 307,316 4.588,317 3.829,318 6.719,319 4.152,320 3.176,321 4.52,322 2.612,323 10.947,324 3.101,325 4.46,326 3.533,327 6.604,328 4.049,329 3.06,330 4.161,331 1.058,332 10.416,333 3.023,334 3.881,335 3.294,336 5.783,337 3.581,338 2.617,339 3.279,340 0.8,341 7.935,342 2.524,343 3.725,344 2.783,345 5.541,346 3.372,347 2.415,348 3.08,350 7.138,351 2.313,352 3.533,353 2.543,354 5.165,355 3.142,356 2.186,357 2.831,359 6.092,360 2.08,361 3.299,362 2.344,363 5.032,364 2.994,365 2.035,366 2.448,368 5.959,369 1.94,370 3.188,371 2.216,372 4.547,373 2.645,374 1.644,375 2.39,377 4.36,378 1.642,379 2.85,380 1.522,381 4.162,382 2.471,383 1.502,384 1.956,386 3.699,387 1.452,388 2.637,389 1.355,390 3.957,391 2.122,392 1.167,393 1.626,395 3.048,396 1.111,397 2.575,398 1.268,399 3.606,400 2.022,401 1.017,402 1.585,404 2.539,405 1.017,406 2.515,407 1.18,408 3.466,409 2,410 1,411 1.475,413 2.302,414 1,415 2.04,416 1.077,417 3.414,418 1.984,419 1,420 1,422 2.275,423 0.983,424 2,425 1,426 3.238,427 1.58,428 0.617,429 0.857,431 1.509,432 0.592,433 1.217,434 0.749,435 2.769,436 0.879,437 -0.086,438 -0.101,440 -0.207,441 -0.082,442 1,443 0.425,444 2.486,445 0.67,446 -0.291,447 -0.333,449 -0.715,450 -0.278,451 13,452 0.464,453 0.733,454 0.026,455 37.75,456 1.348,457 19,458 0.679,459 18.75,460 0.67,461 21.693,462 0.775,463 30.2,464 0.616,465 29.075,466 1.038,467 7.334,468 0.262,469 6.191,470 0.221,471 0.115,473 0.369,479 0.52,480 1.307,481 0.726,482 1.036,483 0.481,484 0.936,485 0.588,486 1.114,487 0.818,488 0.992,489 0.379,490 0.945,491 0.71,492 1.191,493 0.912,494 1.145,495 0.559,496 1.075,497 0.853,498 1.06,499 0.909,500 1.057,501 0.815,502 1.002,503 0.999,504 0.918,505 0.92,506 0.85,507 0.965,508 0.863,509 1.092,510 0.856,511 1.074,512 0.867,513 0.981,514 0.939,515 0.647,516 1.146,517 0.903,518 1.109,519 0.559,520 1.058,521 1.12,522 0.853,523 1.044,524 0.911,525 1.058,526 0.945,527 5.5,528 0.156,529 3.556,530 2.132,531 1.623,532 0.907,533 0.537,534 0.451,535 0.341,536 0.242,537 9856,538 27370,539 2.094,540 42.9,541 1,542 13,543 1,545 2,547 4,550 1.711,551 1.953,552 3.433,553 0.282,554 1,555 1,559 80.079,560 1.634,561 3.856,562 4.711,563 5.028,564 5.069,565 5.069,566 2.923,567 4.379,568 4.781,569 3.597,570 1359.53,571 8.313,572 17848.6,574 1,576 1,577 275.121,578 1.432,579 4.736,580 0.177,581 0.007,582 0.081,583 0.047,584 0.039,585 0.024,586 0.016,587 0.014,588 0.012,589 0.009,590 0.427,591 0.33,592 1,593 0.744,594 140.404,595 0.128,596 -0.076,597 0.057,598 0.018,599 0.01,600 0.017,601 0.123,602 0.025,603 0.037,604 0.032,605 0.197,606 0.024,607 -0.013,608 -0.15,609 -0.005,610 -0.128,611 0.042,612 -0.074,613 0.047,614 -0.097,615 0.075,616 -0.078,617 0.057,618 -0.007,619 0.136,620 0.024,621 0.115,622 0.09,623 0.2,624 0.1,625 -0.143,626 0.179,627 -0.103,628 0.078,629 -0.13,630 0.011,631 0.131,632 -0.112,633 0.028,634 -0.116,635 0.117,636 -0.072,637 -0.144,638 0.118,639 -0.052,640 0.057,641 -0.101,642 0.034,643 2.56,644 5.568,645 0.75,646 24.837,647 1.011,648 1.131,649 2.82,650 7.951,651 0.663,652 3.466,653 3.807,654 4.094,655 4.369,656 4.585,657 4.625,658 4.771,659 4.898,660 4.997,661 5.081,662 6.558,663 0.642,664 379.46,665 3.466,666 5.017,667 5.878,668 6.765,669 7.643,670 8.534,671 9.419,672 10.312,673 11.201,674 12.094,675 10.2,678 1,682 1,683 1,685 1,686 1,687 2,688 7,689 1,690 1,693 4,695 16,702 1,708 1,714 49,716 19,717 1,718 31,720 52,721 20,722 13,723 2,724 4,725 1,730 4,731 5,740 2,741 1,743 2,745 14,746 6,747 1,750 3,752 1,755 3,759 1,760 1,761 1,764 21,765 6,766 2,767 8,773 5,777 0.75,778 3,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 28,833 4,834 1,837 1,838 1,847 6.1,850 1,853 2,854 14.333,855 9.017,856 6.083,857 2.957,858 3.362,859 1.435,860 0.995,861 5.117,862 11.097,863 3.761,864 4.379,865 4.965,866 5.571,867 6.075,868 6.339,869 6.755,870 7.107,871 7.32,872 7.642,873 1,874 45,875 10.393,877 4.55,878 7.929,879 19.601,881 16.398,883 2.429,884 68,886 1,887 1,888 223.651,889 104.03,890 60.376,892 75.892,895 104.03,896 299.543,897 60.376,898 14.066,899 27.291,900 65.905,901 46.635,902 31.182,903 16.243,904 211.88,905 50.747,906 223.651,907 164.407,908 75.892,911 176.567,912 72.229,913 50.747,915 49.345,916 92.606,917 22.456,919 223.651,920 136.268,921 104.03,924 223.651,925 29.729,926 83.096,927 34.796,928 92.677,929 223.651,930 136.268,931 104.03,933 0.587,934 0.346,935 0.189,936 0.104,937 22,938 10,939 0.077,940 4,941 1,942 1.095,943 3.941,944 247.158,945 0.095,946 21,947 128.606,951 18.603,952 7.702,953 3.8,954 1.757,955 113.812,956 11.457,957 4.623,958 3.255,961 1.322,963 34.796,964 463.949,965 42,967 -0.56,970 34.895,974 -0.546,975 49.56,976 55.441,977 0.291,978 0.687,979 0.839,980 0.895,981 0.903,982 0.903,983 5.004,984 1.502,985 5.872,986 4.36,987 4.489,988 5.066,989 2.734,990 6.701,991 4.432,992 6.219,993 1.167,994 7.444,995 3.699,996 4.111,997 4.966,998 2.396,999 7.647,1000 4.031,1001 7.536,1002 1.017,1003 9.116,1004 3.048,1005 6.098,1006 7.305,1007 4.2,1008 10.757,1009 5.99,1010 8.891,1011 1,1012 10.848,1013 2.539,1014 6.538,1015 8.059,1016 4.51,1017 12.549,1018 6.415,1019 10.279,1020 1,1021 12.619,1022 2.302,1023 8.004,1024 9.885,1025 5.956,1026 15.178,1027 7.856,1028 11.692,1029 0.617,1030 14.417,1031 2.275,1032 8.817,1033 11.031,1034 6.556,1035 17.312,1036 8.658,1037 13.124,1038 -0.086,1039 16.236,1040 1.509,1041 10.077,1042 12.657,1043 7.796,1044 19.778,1045 9.896,1046 3.176,1047 -0.291,1048 18.07,1049 -0.207,1050 11.065,1051 13.987,1052 8.548,1053 22.053,1054 10.871,1055 3.06,1056 10.947,1057 19.915,1058 -0.715,1059 12.244,1060 15.531,1061 9.67,1062 24.461,1063 12.031,1064 2.617,1065 10.416,1066 21.77,1067 4.52,1068 13.312,1069 16.947,1070 10.509,1071 26.794,1072 13.084,1073 2.415,1074 7.935,1075 23.633,1076 4.161,1077 14.461,1078 18.458,1079 11.563,1080 29.182,1081 14.215,1082 2.186,1083 7.138,1084 25.501,1085 3.279,1086 15.567,1087 19.914,1088 12.452,1089 31.539,1090 15.304,1091 2.035,1092 6.092,1093 27.375,1094 3.08,1095 16.707,1096 21.413,1097 13.468,1098 33.92,1099 16.425,1100 1.644,1101 5.959,1102 29.252,1103 2.831,1104 17.83,1105 22.888,1106 14.386,1107 36.289,1108 17.531,1109 9393,1110 15902,1111 20.69,1112 32.483,1113 47.355,1114 49.064,1115 48.664,1116 46.9,1117 46.871,1118 62.416,1119 8.942,1120 136.436,1121 45.557,1122 5.588,1123 5.829,1124 6.398,1125 5.215,1126 5.176,1127 7.52,1128 4.612,1129 18.08,1130 5.101,1131 13.854,1132 1.528,1133 1.583,1134 1.57,1135 1.513,1136 1.512,1137 2.013,1138 0.288,1139 4.401,1140 1.47,1141 4.136,1142 4.177,1143 4.098,1144 4.021,1145 7.815,1146 4.034,1147 3.993,1148 4.016,1149 3.962,1150 3.871,1151 7.429,1152 3.882,1153 3.806,1154 3.874,1155 3.686,1156 3.653,1157 6.999,1158 3.652,1159 3.52,1160 3.563,1161 3.489,1162 3.296,1163 5.039,1164 3.315,1165 3.452,1166 3.49,1167 3.383,1168 3.062,1169 4.672,1170 3.133,1171 3.254,1172 3.329,1173 3.144,1174 3.02,1175 4.421,1176 3.068,1177 3.135,1178 3.206,1179 2.985,1180 2.941,1181 4.319,1182 2.927,1183 3.111,1184 3.191,1185 2.866,1186 2.926,1187 3.913,1188 2.91,1189 0.148,1190 0.124,1191 0.217,1192 0.134,1193 0.102,1194 4.588,1195 0.146,1196 3.829,1197 0.084,1198 6.719,1199 0.353,1200 4.152,1201 0.1,1202 3.176,1203 4.52,1204 2.612,1205 10.947,1206 3.101,1207 1.942,1208 1.916,1209 2.069,1210 2.099,1211 1.436,1212 2.07,1213 1.903,1214 1.87,1215 2.017,1216 2.046,1217 1.1,1218 2.045,1219 1.803,1220 1.751,1221 1.92,1222 1.977,1223 1.019,1224 1.963,1225 1.453,1226 1.385,1227 1.659,1228 1.692,1229 0.825,1230 1.678,1231 1.253,1232 1.206,1233 1.513,1234 1.66,1235 0.808,1236 1.556,1237 1.193,1238 1.162,1239 1.494,1240 1.515,1241 0.558,1242 1.506,1243 1.153,1244 1.064,1245 1.345,1246 1.382,1247 0.388,1248 1.429,1249 1.126,1250 1.042,1251 1.276,1252 1.376,1253 0.281,1254 1.386,1255 4.143,1257 5.476,1258 2.398,1259 7.004,1260 4.727,1261 8.619,1262 6.843,1263 10.28,1265 2.125,1271 4.229,1272 2.696,1275 0.429,1276 2.317,1280 31.466,1281 80.079,1282 188.94,1283 230.856,1284 246.366,1285 248.366,1286 248.366,1287 55.262,1288 7.735,1289 106.84,1290 106.84,1291 23,1292 12.622,1293 4.322,1294 3.585,1295 42.443,1296 111,1297 113,1298 0.188,1299 192.657,1300 330.03,1301 461.844,1302 25329,1304 19.673,1305 0.703,1306 0.554,1307 19.673,1308 15.514,1309 13.525,1310 0.436,1311 0.298,1312 9.097,1313 12.909,1314 8.914,1315 7.374,1316 13.525,1317 9.24,1318 12.433,1319 0.283,1320 0.162,1321 12.433,1322 7.143,1323 10.411,1324 0.176,1325 0.09,1326 10.411,1327 5.297,1328 8.799,1329 0.113,1330 0.048,1331 8.799,1332 3.728,1333 7.199,1334 0.074,1335 0.027,1336 7.199,1337 2.647,1338 0.295,1339 85.593,1340 0.22,1341 26.647,1342 0.516,1343 150,1344 466.808,1345 166.023,1346 449.992,1347 605.28,1348 416,1349 178,1350 448.804,1351 194.5,1352 449.283,1353 653.84,1354 421,1355 6.77} {0 CHEMBL321818,1 1.471,2 13.207,3 3.129,4 9.79,5 116.276,6 6.887,7 0.5,8 4.131,9 4.264,10 3.635,11 3.643,12 5.158,13 3.615,14 4.688,15 4.88,16 3.976,17 4.043,18 5.642,19 3.991,20 4.941,21 5.159,22 4.038,23 4.2,24 5.893,25 4.111,26 5.003,27 5.227,28 3.943,29 4.216,30 5.907,31 4.095,32 5.063,33 5.323,34 3.854,35 4.135,36 5.962,37 3.992,38 4.959,39 5.24,40 3.68,41 3.976,42 5.803,43 3.834,44 4.716,45 4.982,46 3.612,47 3.825,48 5.635,49 3.708,50 4.603,51 4.839,52 3.619,53 3.748,54 5.635,55 3.653,56 0.049,57 0.846,58 12.976,59 5.108,60 9.403,61 7.192,62 0.247,63 1.356,64 24.123,65 8.363,66 21.65,67 12.14,68 0.475,69 1.627,70 31.932,71 11.095,72 42.894,73 15.996,74 0.268,75 1.672,76 33.808,77 12.408,78 37.472,79 17.689,80 0.468,81 1.634,82 37.248,83 12.881,84 56.664,85 18.588,86 0.465,87 1.439,88 34.247,89 10.859,90 48.174,91 16.062,92 0.302,93 1.189,94 26.235,95 8.674,96 35.602,97 12.825,98 0.25,99 1.065,100 23.088,101 8.118,102 37.068,103 11.513,104 12,105 44,106 0.241,107 0.571,108 0.743,109 0.832,110 0.861,111 0.861,112 3.407,113 0.953,114 -3.04,115 -3.04,116 -2.92,119 40.4,120 1,121 1,125 6,140 7,141 3,142 2,149 1,150 1,156 1,161 1,162 1,163 1,169 9,171 1,172 4,176 4,178 9,180 1,181 3,182 5,186 4,189 8,191 1,193 2,197 1,199 3,201 1,202 1,203 7,206 1,207 1,208 1,210 1,211 1,213 1,214 1,215 7,220 1,224 1,226 5,228 1,229 1,231 1,235 1,237 9,240 2,249 6,259 1360,260 19.938,261 19.938,262 19.938,263 19.938,264 19.938,265 17.9,266 21.003,267 11.853,268 20.325,269 15.746,270 15.746,271 15.746,272 15.746,273 15.746,274 12.614,275 24.173,276 5.516,277 16.358,278 4.362,279 2.342,280 1.292,281 0.75,282 0.575,283 0.575,284 4.106,288 1,289 1,290 836,291 3.317,294 76.765,295 288.912,298 133.453,302 2.076,303 22.463,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 383,316 4.55,317 3.742,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.273,326 3.219,327 6.451,328 3.963,329 3.007,330 3.839,331 0.933,332 9.941,333 2.879,334 3.951,335 3.181,336 6.017,337 3.716,338 2.754,339 3.175,340 0.8,341 8.537,342 2.638,343 3.695,344 2.744,345 5.316,346 3.311,347 2.367,348 3.051,349 0.51,350 6.857,351 2.232,352 3.347,353 2.485,354 5.099,355 3.063,356 2.096,357 2.672,359 5.92,360 2.018,361 3.303,362 2.164,363 5.073,364 2.934,365 1.966,366 2.439,368 5.831,369 1.894,370 2.863,371 2.102,372 4.232,373 2.464,374 1.49,375 2.016,377 3.887,378 1.44,379 2.769,380 1.5,381 4.145,382 2.414,383 1.414,384 1.856,386 3.484,387 1.414,388 2.728,389 1.476,390 3.865,391 2.301,392 1.32,393 1.772,395 3.087,396 1.293,397 2.373,398 1.379,399 3.581,400 2.054,401 1.099,402 1.341,404 2.72,405 1.045,406 2.317,407 1.204,408 3.414,409 2.004,410 1.043,411 1.266,413 2.275,414 0.998,415 2.003,416 1.146,417 3.338,418 1.967,419 1,420 1,422 2.111,423 0.965,424 2,425 1.132,426 3.098,427 1.644,428 0.692,429 0.883,431 1.439,432 0.654,433 1.719,434 0.74,435 2.985,436 1.346,437 0.412,438 0.504,440 0.921,441 0.378,442 1.131,443 0.248,444 2.565,445 0.872,446 -0.112,447 -0.13,449 -0.248,450 -0.109,451 13.767,452 0.475,453 0.606,454 0.021,455 35.5,456 1.224,457 16.5,458 0.569,459 19,460 0.655,461 25.111,462 0.866,463 31.833,464 0.558,465 25.952,466 0.895,467 7.162,468 0.247,469 6.99,470 0.241,471 0.09,473 0.312,479 0.888,480 1.38,481 0.87,482 1.13,483 0.728,484 1.009,485 1.089,486 1.109,487 0.956,488 0.965,489 0.692,490 0.935,491 1.03,492 0.964,493 1.035,494 0.979,495 0.929,496 0.998,497 1.092,498 1.194,499 1.149,500 1.241,501 1.205,502 1.212,503 1.074,504 1.035,505 1.016,506 1.084,507 1.142,508 1.062,509 1.311,510 0.882,511 0.989,512 0.864,513 1.077,514 0.888,515 1.054,516 0.935,517 0.921,518 0.926,519 1.047,520 0.906,521 1.098,522 1.076,523 0.908,524 1.094,525 1.372,526 1.004,527 5,528 0.089,529 3.778,530 1.854,531 1.258,532 0.882,533 0.539,534 0.367,535 0.283,536 0.183,537 12371,538 27771,539 2.111,540 49.1,541 3,542 19,543 1,545 3,547 2,550 1.713,551 2,552 3.657,553 0.857,555 1,559 83.827,560 1.471,561 3.491,562 4.541,563 5.083,564 5.258,565 5.258,566 3.112,567 4.651,568 4.831,569 3.849,570 1562.63,571 8.378,572 22218.9,574 1,576 1,577 332.475,578 1.314,579 4.8,580 0.156,581 0.004,582 0.086,583 0.041,584 0.032,585 0.026,586 0.019,587 0.013,588 0.01,589 0.008,590 0.395,591 0.33,592 1,593 0.841,594 150.526,595 -0.043,596 -0.137,597 0.056,598 -0.034,599 -0.063,600 0.017,601 -0.049,602 0.037,603 0.016,604 0.05,605 -0.008,606 0.046,607 0.06,608 0.099,609 -0.052,610 0.02,611 0.02,612 -0.019,613 -0.101,614 -0.183,615 -0.183,616 -0.22,617 -0.119,618 -0.213,619 0.067,620 -0.115,621 -0.017,622 -0.106,623 -0.001,624 -0.082,625 -0.068,626 0.019,627 0.034,628 0.075,629 -0.038,630 0.067,631 0.02,632 0.02,633 0.079,634 0.035,635 0.069,636 0.064,637 0.119,638 -0.118,639 0.093,640 -0.099,641 0.138,642 -0.022,643 1.634,644 5.624,645 0.724,646 30.713,647 0.994,648 1.13,649 1.806,650 3.261,651 0.65,652 3.497,653 3.807,654 4.094,655 4.331,656 4.522,657 4.554,658 4.673,659 4.736,660 4.7,661 4.754,662 7.69,663 0.611,664 392.55,665 3.497,666 5.03,667 5.883,668 6.753,669 7.621,670 8.496,671 9.368,672 10.244,673 11.119,674 11.996,675 7,676 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 57,716 17,717 2,718 32,720 60,721 23,722 14,723 5,724 7,730 4,731 5,736 2,743 1,745 15,746 8,750 1,755 1,759 1,761 1,764 28,765 5,766 3,767 6,773 4,777 0.75,778 2,788 1,792 1,793 3,796 1,806 1,812 1,819 3,823 1,827 29,828 1,833 7,835 1,838 2,847 3.5,850 1,852 1,854 14.5,855 10.233,856 6.472,857 3.444,858 2.932,859 1.38,860 1.002,861 6.188,862 10.65,863 3.738,864 4.314,865 4.893,866 5.443,867 5.914,868 6.123,869 6.455,870 6.77,871 6.685,872 6.785,873 0.889,874 45,875 10.757,877 4.527,878 7.609,879 20.961,881 17.34,883 2.109,884 61.167,887 1,888 294.278,889 125.655,890 55.931,892 36.145,895 125.655,896 330.422,897 55.931,898 8.825,899 53.677,900 75.381,901 29.85,902 47.854,903 13.915,904 282.506,906 294.278,907 181.586,908 36.145,911 270.735,912 59.687,915 79.288,916 102.299,919 294.278,920 92.076,921 125.655,924 294.278,925 41.449,926 90.455,927 16.786,928 69.042,929 294.278,930 92.076,931 125.655,933 0.575,934 0.344,935 0.187,936 0.1,937 21,938 9,939 0.1,940 6,941 1,942 1.095,943 4.188,944 247.512,945 0.095,946 21,947 134.881,951 19.956,952 8.992,953 4.475,954 2.159,955 75.291,956 16.242,958 3.247,961 4.405,963 49.683,964 512.009,965 41,970 12.624,974 0.033,975 56.665,976 64.394,977 0.252,978 0.598,979 0.779,980 0.871,981 0.901,982 0.901,983 4.97,984 1.414,985 5.855,986 3.887,987 4.489,988 5.001,989 2.425,990 6.655,991 4.416,992 6.155,993 1.32,994 7.408,995 3.484,996 4.007,997 4.783,998 1.738,999 7.545,1000 3.909,1001 7.454,1002 1.099,1003 9.062,1004 3.087,1005 6.071,1006 7.189,1007 3.327,1008 10.634,1009 5.928,1010 8.79,1011 1.043,1012 10.778,1013 2.72,1014 6.447,1015 7.862,1016 3.296,1017 12.37,1018 6.28,1019 10.163,1020 1,1021 12.532,1022 2.275,1023 7.944,1024 9.727,1025 4.559,1026 14.955,1027 7.741,1028 11.56,1029 0.692,1030 14.313,1031 2.111,1032 8.712,1033 10.819,1034 4.854,1035 17.028,1036 8.487,1037 12.977,1038 0.412,1039 16.112,1040 1.439,1041 9.978,1042 12.466,1043 5.901,1044 19.44,1045 9.722,1046 3.092,1047 -0.112,1048 17.926,1049 0.921,1050 10.929,1051 13.765,1052 6.37,1053 21.653,1054 10.651,1055 3.007,1056 10.36,1057 19.75,1058 -0.248,1059 12.098,1060 15.32,1061 7.287,1062 24.003,1063 11.794,1064 2.754,1065 9.941,1066 21.582,1067 4.504,1068 13.133,1069 16.72,1070 7.856,1071 26.275,1072 12.807,1073 2.367,1074 8.537,1075 23.42,1076 3.839,1077 14.264,1078 18.237,1079 8.696,1080 28.604,1081 13.915,1082 2.096,1083 6.857,1084 25.263,1085 3.175,1086 15.339,1087 19.686,1088 9.324,1089 30.902,1090 14.968,1091 1.966,1092 5.92,1093 27.111,1094 3.051,1095 16.455,1096 21.189,1097 10.117,1098 33.224,1099 16.063,1100 1.49,1101 5.831,1102 28.962,1103 2.672,1104 17.549,1105 22.663,1106 10.781,1107 35.535,1108 17.135,1109 11643,1110 17570,1111 21.671,1112 37.069,1113 47.909,1114 48.583,1115 49.322,1116 47.477,1117 47.507,1118 60.637,1119 8.597,1120 134.742,1121 45.783,1122 5.55,1123 5.742,1124 6.313,1125 5.159,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 12.492,1132 1.497,1133 1.518,1134 1.541,1135 1.484,1136 1.485,1137 1.895,1138 0.269,1139 4.211,1140 1.431,1141 4.132,1142 4.164,1143 4.09,1144 4.045,1145 7.427,1146 4.052,1147 3.971,1148 4.016,1149 3.903,1150 3.879,1151 5.037,1152 3.879,1153 3.767,1154 3.816,1155 3.681,1156 3.581,1157 4.957,1158 3.597,1159 3.573,1160 3.633,1161 3.46,1162 3.424,1163 4.754,1164 3.423,1165 3.442,1166 3.502,1167 3.307,1168 3.206,1169 4.562,1170 3.226,1171 3.277,1172 3.339,1173 3.166,1174 3.067,1175 4.264,1176 3.08,1177 3.17,1178 3.257,1179 2.964,1180 3.022,1181 3.989,1182 2.998,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.896,1188 2.91,1189 0.142,1190 0.117,1191 0.205,1192 0.127,1193 0.097,1194 4.55,1195 0.141,1196 3.742,1197 0.064,1198 6.546,1199 0.324,1200 4.076,1201 0.095,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.94,1208 1.919,1209 2.065,1210 2.072,1211 1.307,1212 2.071,1213 1.933,1214 1.903,1215 2.02,1216 2.023,1217 1.224,1218 2.022,1219 1.714,1220 1.655,1221 1.91,1222 1.903,1223 1.094,1224 1.909,1225 1.648,1226 1.59,1227 1.851,1228 1.845,1229 1.016,1230 1.853,1231 1.353,1232 1.311,1233 1.565,1234 1.63,1235 0.825,1236 1.612,1237 1.266,1238 1.182,1239 1.552,1240 1.539,1241 0.729,1242 1.535,1243 1.208,1244 1.127,1245 1.513,1246 1.418,1247 0.603,1248 1.469,1249 1.153,1250 1.064,1251 1.509,1252 1.376,1253 0.555,1254 1.429,1255 4.174,1257 5.485,1258 2.398,1259 6.995,1260 4.727,1261 8.593,1262 6.823,1263 10.235,1265 2.126,1269 5.686,1271 4.593,1273 5.812,1276 4.238,1280 34.837,1281 83.827,1282 198.972,1283 258.849,1284 289.72,1285 299.72,1286 299.72,1287 45.89,1288 7.718,1289 74.59,1290 74.59,1291 23,1292 12.534,1293 4.17,1294 3.322,1295 45.082,1296 136,1297 124,1298 0.16,1299 213.571,1300 364.78,1301 512.874,1302 26753,1304 20.217,1305 0.697,1306 0.581,1307 20.217,1308 16.857,1309 14.152,1310 0.442,1311 0.318,1312 10.031,1313 13.644,1314 9.787,1315 8.084,1316 14.152,1317 10.167,1318 12.384,1319 0.281,1320 0.171,1321 12.384,1322 7.503,1323 10.765,1324 0.182,1325 0.095,1326 10.765,1327 5.603,1328 8.85,1329 0.118,1330 0.053,1331 8.85,1332 3.961,1333 7.035,1334 0.077,1335 0.029,1336 7.035,1337 2.641,1338 0.259,1339 88.356,1340 0.215,1341 28.12,1342 0.415,1343 152,1344 394.406,1345 165.001,1346 381.117,1347 528.06,1348 360,1349 179,1350 391.119,1351 193.029,1352 395.9,1353 579.97,1354 374,1355 8.699} {0 CHEMBL321967,1 1.425,2 10,3 3.422,4 11.713,5 95.327,6 6.53,7 0.37,8 3.999,9 4.142,10 3.467,11 3.517,12 4.921,13 3.474,14 4.613,15 4.819,16 3.837,17 3.975,18 5.471,19 3.894,20 4.923,21 5.178,22 3.824,23 4.102,24 5.736,25 3.969,26 4.939,27 5.222,28 3.748,29 4.009,30 5.813,31 3.874,32 4.772,33 5.045,34 3.638,35 3.871,36 5.652,37 3.752,38 4.615,39 4.869,40 3.592,41 3.806,42 5.494,43 3.7,44 4.57,45 4.815,46 3.504,47 3.777,48 5.453,49 3.647,50 4.569,51 4.842,52 3.313,53 3.682,54 5.375,55 3.53,56 0.051,57 0.768,58 12.063,59 4.584,60 6.462,61 6.818,62 0.224,63 1.282,64 22.917,65 8.154,66 18.734,67 12.328,68 0.268,69 1.536,70 31.607,71 10.836,72 27.469,73 16.51,74 0.376,75 1.449,76 32.691,77 10.163,78 45.594,79 15.881,80 0.334,81 1.268,82 27.752,83 8.29,84 39.107,85 13.063,86 0.291,87 1.166,88 23.529,89 7.162,90 25.664,91 11.297,92 0.215,93 1.093,94 22.137,95 7.566,96 27.021,97 11.586,98 0.26,99 1.016,100 22.434,101 7.308,102 25.626,103 11.149,104 5,105 38,106 0.242,107 0.55,108 0.729,109 0.807,110 0.807,111 0.807,112 3.229,113 1.02,114 -3.71,115 -3.67,116 -3.5,119 38,121 6,122 2,124 1,125 2,140 2,141 1,144 1,145 1,149 1,150 1,156 1,169 9,172 5,174 2,176 4,178 8,182 5,184 1,186 5,189 1,192 1,193 7,197 5,199 3,203 3,207 1,208 1,211 6,214 1,215 3,218 1,220 2,222 7,226 2,229 1,231 1,233 5,237 3,240 1,242 2,244 6,254 2,256 6,259 802,260 16.447,261 16.447,262 16.447,263 16.447,264 16.447,265 15.212,266 20.632,267 9.664,268 16.703,269 13.336,270 13.336,271 13.336,272 13.336,273 13.336,274 11.352,275 26.74,276 4.611,277 13.736,278 4.218,279 2.41,280 1.355,281 0.895,282 0.895,283 0.895,284 3.926,287 1,288 1,289 1,290 529,291 2.739,294 119.404,295 131.341,298 94.302,302 1.583,303 18.375,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 51,315 240,316 4.587,317 3.715,318 6.719,319 4.15,320 3.174,321 4.52,322 1.907,323 10.946,324 3.1,325 4.01,326 3.296,327 6.054,328 3.827,329 2.827,330 3.288,331 0.8,332 8.703,333 2.824,334 3.759,335 2.785,336 5.771,337 3.557,338 2.589,339 3.001,340 0.149,341 7.865,342 2.507,343 3.526,344 2.545,345 5.249,346 3.243,347 2.301,348 2.783,350 6.626,351 2.165,352 3.295,353 2.286,354 5.033,355 3.053,356 2.107,357 2.39,359 5.999,360 1.985,361 2.895,362 2.175,363 4.548,364 2.657,365 1.648,366 1.966,368 4.367,369 1.654,370 2.841,371 1.522,372 4.211,373 2.471,374 1.502,375 1.872,377 3.932,378 1.452,379 2.548,380 1.181,381 3.956,382 2.098,383 1.147,384 1.561,386 3.021,387 1.088,388 2.049,389 1.125,390 3.414,391 1.984,392 1,393 1,395 2.275,396 0.983,397 2,398 1.077,399 3.284,400 1.798,401 0.797,402 0.912,404 1.907,405 0.794,406 1.885,407 0.745,408 3.185,409 1.618,410 0.618,411 0.775,413 1.461,414 0.618,415 1.618,416 0.618,417 3,418 1.567,419 0.599,420 0.618,422 1.372,423 0.577,424 1.214,425 0.404,426 2.639,427 0.867,428 -0.105,429 -0.121,431 -0.248,432 -0.101,433 0.842,434 -0.026,435 2.484,436 0.656,437 -0.314,438 -0.369,440 -0.772,441 -0.302,442 0.637,443 -0.439,444 2.207,445 0.129,446 -0.857,447 -1,449 -2.209,450 -0.84,451 11.433,452 0.476,453 0.554,454 0.023,455 26,456 1.083,457 10,458 0.417,459 16,460 0.667,461 22.944,462 0.956,463 26.967,464 0.539,465 16.512,466 0.688,467 4.376,468 0.182,469 7.328,470 0.305,471 0.073,473 0.341,479 0.815,480 1.462,481 0.908,482 1.185,483 0.547,484 1.071,485 0.771,486 1.173,487 0.967,488 1.079,489 0.493,490 1.043,491 0.932,492 1.155,493 1.018,494 1.127,495 0.897,496 1.09,497 1.169,498 0.968,499 0.928,500 0.9,501 1.306,502 0.89,503 1.399,504 0.958,505 1.005,506 0.869,507 1.497,508 0.889,509 1.216,510 0.947,511 1.098,512 0.939,513 1.011,514 0.981,515 0.871,516 1.177,517 1.077,518 1.177,519 0.83,520 1.149,521 1.247,522 0.908,523 1.125,524 0.994,525 1.328,526 1.038,527 4.5,528 0.048,529 2.889,530 1.285,531 1.251,532 0.549,533 0.443,534 0.379,535 0.234,536 0.087,537 6741,538 12826,539 2.161,540 52,541 9,542 9,543 1,545 2,546 1,547 4,550 1.669,551 2.057,552 3.322,553 0.255,555 1,559 71.271,560 1.425,561 3.234,562 4.288,563 4.749,564 4.749,565 4.749,566 2.757,567 4.085,568 4.555,569 3.446,570 951.062,571 7.86,572 11075,574 1,576 1,577 282.193,578 1.281,579 4.532,580 0.167,581 0.004,582 0.076,583 0.037,584 0.039,585 0.019,586 0.016,587 0.015,588 0.012,589 0.005,590 0.39,591 0.5,592 1,593 0.49,594 113.886,595 -0.02,596 -0.161,597 0.069,598 -0.021,599 0.024,600 0.026,601 0.086,603 0.013,604 -0.008,605 0.103,606 -0.006,607 -0.009,608 -0.134,609 -0.044,610 -0.117,611 0.009,612 -0.09,613 0.004,614 -0.019,615 0.072,616 0.046,617 0.006,618 0.065,619 -0.111,620 0.033,621 0.012,622 0.068,623 -0.112,624 0.055,625 -0.09,626 0.145,627 -0.087,628 0.017,629 -0.098,630 -0.024,631 0.038,632 -0.124,633 -0.102,634 -0.16,635 0.02,636 -0.146,637 -0.123,638 0.076,639 -0.132,640 -0.029,641 -0.14,642 -0.073,643 1.532,644 5.347,645 0.833,646 20.486,647 0.989,648 1.135,649 2.477,650 6.138,651 0.637,652 3.332,653 3.664,654 3.951,655 4.22,656 4.394,657 4.5,658 4.635,659 4.796,660 4.844,661 4.89,662 5.899,663 0.592,664 326.49,665 3.332,666 4.875,667 5.733,668 6.613,669 7.488,670 8.374,671 9.256,672 10.145,673 11.032,674 11.923,675 8,678 1,682 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 50,716 11,718 27,720 53,721 19,722 7,730 4,731 5,740 6,741 2,743 6,745 8,746 11,747 2,750 1,755 1,759 1,760 1,761 1,764 26,765 4,766 2,767 5,773 4,777 0.75,778 1,786 1,788 1,792 2,793 2,796 1,805 1,815 1,819 3,823 1,827 24,833 8,834 1,837 2,838 1,847 2,850 1,854 11.667,855 8.983,856 5.194,857 3.382,858 2.131,859 1.29,860 0.996,861 4.489,862 9.492,863 3.526,864 4.082,865 4.65,866 5.241,867 5.72,868 6.095,869 6.516,870 6.917,871 6.959,872 7.173,873 0.857,874 35,875 8.963,877 3.884,878 7.5,879 17.893,881 15.605,883 2,884 48,885 0.001,886 1,887 1,888 282.506,889 70.321,890 54.706,892 25.145,895 70.321,896 307.651,897 54.706,898 8.396,899 37.429,900 28,901 46.635,902 25.24,903 16.243,904 270.735,906 282.506,907 125.027,908 25.145,911 235.422,912 72.229,915 59.483,916 48.759,917 16.786,919 282.506,920 79.851,921 70.321,924 282.506,925 33.925,926 39.521,927 34.796,928 41.93,929 282.506,930 79.851,931 70.321,933 0.585,934 0.343,935 0.184,936 0.094,937 20,938 8,939 0.057,940 3,941 1,942 1.1,943 3.705,944 199.631,945 0.1,946 20,947 102.039,951 15.952,952 6.755,953 3.328,954 2.08,955 63.066,956 6.047,957 4.764,958 3.344,961 1.989,963 34.796,964 432.679,965 33,970 12.347,974 0.135,975 49.454,976 56.77,977 0.253,978 0.573,979 0.76,980 0.841,981 0.841,982 0.841,983 4.783,984 1.147,985 5.714,986 3.932,987 4.344,988 4.766,989 2.08,990 6.521,991 4.289,992 5.955,993 1,994 7.268,995 3.021,996 3.892,997 4.59,998 1.668,999 7.402,1000 3.818,1001 7.252,1002 0.797,1003 8.92,1004 2.275,1005 5.932,1006 6.925,1007 2.929,1008 10.507,1009 5.83,1010 8.585,1011 0.618,1012 10.633,1013 1.907,1014 6.33,1015 7.663,1016 3.047,1017 12.25,1018 6.219,1019 9.957,1020 0.599,1021 12.385,1022 1.461,1023 7.808,1024 9.483,1025 4.042,1026 14.864,1027 7.668,1028 11.354,1029 -0.105,1030 14.164,1031 1.372,1032 8.59,1033 10.642,1034 4.412,1035 16.967,1036 8.444,1037 12.772,1038 -0.314,1039 15.964,1040 -0.248,1041 9.849,1042 12.271,1043 5.251,1044 19.422,1045 9.677,1046 3.174,1047 -0.857,1048 17.78,1049 -0.772,1050 10.814,1051 13.625,1052 5.75,1053 21.683,1054 10.633,1055 2.827,1056 10.946,1057 19.608,1058 -2.209,1059 11.987,1060 15.18,1061 6.501,1062 24.086,1063 11.782,1064 2.589,1065 8.703,1066 21.447,1067 4.52,1068 13.04,1069 16.621,1070 7.068,1071 26.417,1072 12.82,1073 2.301,1074 7.865,1075 23.295,1076 3.288,1077 14.183,1078 18.147,1079 7.771,1080 28.806,1081 13.94,1082 2.107,1083 6.626,1084 25.149,1085 3.001,1086 15.278,1087 19.626,1088 8.374,1089 31.168,1090 15.017,1091 1.648,1092 5.999,1093 27.01,1094 2.783,1095 16.413,1096 21.141,1097 9.051,1098 33.555,1099 16.128,1100 1.502,1101 4.367,1102 28.877,1103 2.39,1104 17.53,1105 22.636,1106 9.674,1107 35.932,1108 17.224,1109 6325,1110 8847,1111 18.493,1112 31.853,1113 40.695,1114 41.401,1115 41.295,1116 40.669,1117 40.618,1118 49.371,1119 5.712,1120 116.953,1121 39.492,1122 5.587,1123 5.715,1124 6.316,1125 5.217,1126 5.174,1127 7.52,1128 3.306,1129 18.077,1130 5.066,1131 8.825,1132 1.507,1133 1.533,1134 1.529,1135 1.506,1136 1.504,1137 1.829,1138 0.212,1139 4.332,1140 1.463,1141 4.133,1142 4.175,1143 4.094,1144 4.019,1145 7.428,1146 4.032,1147 3.891,1148 3.94,1149 3.776,1150 3.776,1151 5.039,1152 3.766,1153 3.805,1154 3.873,1155 3.682,1156 3.652,1157 4.426,1158 3.651,1159 3.479,1160 3.542,1161 3.391,1162 3.291,1163 4.326,1164 3.306,1165 3.254,1166 3.331,1167 3.126,1168 3.036,1169 4.216,1170 3.051,1171 3.136,1172 3.206,1173 2.978,1174 2.941,1175 3.913,1176 2.92,1177 3.111,1178 3.201,1179 2.866,1180 2.921,1181 3.711,1182 2.91,1183 2.869,1184 2.979,1185 2.7,1186 2.671,1187 3.609,1188 2.635,1189 0.17,1190 0.138,1191 0.249,1192 0.154,1193 0.118,1194 4.587,1195 0.167,1196 3.715,1197 0.071,1198 6.719,1199 0.405,1200 4.15,1201 0.115,1202 3.174,1203 4.52,1204 1.907,1205 10.946,1206 3.1,1207 1.919,1208 1.883,1209 2.068,1210 2.056,1211 1.436,1212 2.06,1213 1.811,1214 1.758,1215 1.938,1216 1.991,1217 1.231,1218 1.981,1219 1.646,1220 1.603,1221 1.86,1222 1.816,1223 1.211,1224 1.822,1225 1.577,1226 1.507,1227 1.841,1228 1.751,1229 1.021,1230 1.793,1231 1.452,1232 1.384,1233 1.659,1234 1.678,1235 0.825,1236 1.674,1237 1.188,1238 1.1,1239 1.513,1240 1.462,1241 0.807,1242 1.48,1243 1.153,1244 1.064,1245 1.49,1246 1.376,1247 0.558,1248 1.429,1249 1.052,1250 0.979,1251 1.266,1252 1.304,1253 0.364,1254 1.304,1255 4.007,1257 5.333,1258 3.045,1259 6.843,1260 5.283,1261 8.437,1262 7.298,1263 10.078,1265 2.181,1271 8.974,1272 3.031,1275 0.727,1276 2.381,1280 29.595,1281 71.271,1282 161.689,1283 214.418,1284 237.438,1285 237.438,1286 237.438,1287 36.806,1288 7.361,1289 61.02,1290 61.02,1291 22,1292 12.452,1293 3.585,1294 2.807,1295 33.88,1296 84,1297 85,1298 0.197,1299 179.988,1300 305.61,1301 430.93,1302 15306,1304 16.518,1305 0.688,1306 0.598,1307 16.518,1308 14.346,1309 11.704,1310 0.433,1311 0.34,1312 9.08,1313 11.334,1314 8.882,1315 7.338,1316 11.704,1317 9.179,1318 10.622,1319 0.28,1320 0.194,1321 10.622,1322 7.385,1323 9.153,1324 0.179,1325 0.112,1326 9.153,1327 5.687,1328 7.62,1329 0.114,1330 0.062,1331 7.62,1332 4.136,1333 5.784,1334 0.072,1335 0.032,1336 5.784,1337 2.583,1338 0.307,1339 72.766,1340 0.233,1341 23.412,1342 0.547,1343 130,1344 299.691,1345 139.847,1346 293.307,1347 408.26,1348 276,1349 154,1350 306.439,1351 164.514,1352 311.404,1353 457.73,1354 294,1355 6.131} {0 CHEMBL322054,1 1.251,2 13.125,3 6.112,4 37.352,5 103.783,6 5.699,7 0.4,8 4.088,9 4.238,10 3.413,11 3.579,12 4.945,13 3.5,14 4.682,15 4.916,16 3.662,17 3.958,18 5.424,19 3.835,20 4.924,21 5.195,22 3.644,23 4.081,24 5.601,25 3.906,26 4.982,27 5.283,28 3.56,29 4.055,30 5.603,31 3.855,32 4.896,33 5.198,34 3.522,35 3.958,36 5.531,37 3.765,38 4.787,39 5.059,40 3.476,41 3.911,42 5.475,43 3.736,44 4.795,45 5.079,46 3.353,47 3.881,48 5.465,49 3.681,50 4.721,51 5.023,52 3.239,53 3.774,54 5.346,55 3.562,56 0.08,57 0.789,58 14.729,59 5.794,60 9.682,61 8.501,62 0.199,63 1.234,64 25.278,65 9.229,66 17.937,67 13.798,68 0.224,69 1.427,70 30.669,71 11.764,72 23.115,73 17.26,74 0.234,75 1.436,76 31.653,77 11.924,78 23.01,79 17.694,80 0.295,81 1.306,82 29.171,83 10.899,84 23.3,85 16.075,86 0.222,87 1.222,88 26.787,89 9.861,90 21.523,91 14.601,92 0.285,93 1.214,94 26.838,95 9.618,96 22.371,97 14.459,98 0.178,99 1.083,100 24.22,101 9.192,102 19.152,103 13.557,104 28,105 31,106 0.208,107 0.473,108 0.695,109 0.774,110 0.828,111 0.855,112 3.226,113 1.15,114 -5.93,115 -5.78,116 -5.38,119 36.2,120 1,121 8,124 2,125 2,140 3,141 2,142 1,149 1,150 1,169 11,172 4,176 3,178 10,182 4,186 3,189 9,193 3,199 8,203 3,206 2,211 8,215 2,222 7,225 1,226 2,231 1,233 7,237 1,242 1,244 6,249 2,254 1,256 6,259 980,260 16.389,261 16.389,262 16.389,263 16.389,264 16.389,265 15.259,266 12.133,267 10.489,268 16.695,269 12.363,270 12.363,271 12.363,272 12.363,273 12.363,274 10.597,275 12.11,276 5.047,277 12.835,278 4.607,279 3.022,280 1.688,281 1.211,282 0.893,283 0.729,284 3.896,289 1,290 643,291 4,294 62.037,295 69.717,298 109.868,302 2.052,303 9.184,306 0.75,307 0.67,308 0.83,309 1,310 1,311 0.83,312 0.5,313 0.8,314 50,315 315,316 4.551,317 3.19,318 6.547,319 4.077,320 3.093,321 4.504,322 0.86,323 10.362,324 3.043,325 3.717,326 2.785,327 5.319,328 3.341,329 2.401,330 3.13,331 0.8,332 6.871,333 2.258,334 3.379,335 2.561,336 5.11,337 3.133,338 2.214,339 2.683,341 5.992,342 2.036,343 3.146,344 2.101,345 4.624,346 2.9,347 1.913,348 2.182,350 5.024,351 1.893,352 2.905,353 1.909,354 4.136,355 2.848,356 1.876,357 1.911,359 3.789,360 1.806,361 2.733,362 1.699,363 3.897,364 2.601,365 1.613,366 1.823,368 3.481,369 1.592,370 2.622,371 1.377,372 3.618,373 2.255,374 1.286,375 1.627,377 3.145,378 1.244,379 2.281,380 1.281,381 3.312,382 2.161,383 1.181,384 1.253,386 2.313,387 1.152,388 2.158,389 0.95,390 3.191,391 1.813,392 0.858,393 1.087,395 1.895,396 0.816,397 1.731,398 0.801,399 2.885,400 1.63,401 0.668,402 0.7,404 1.268,405 0.638,406 1.566,407 0.474,408 2.762,409 1.361,410 0.389,411 0.45,413 0.86,414 0.377,415 1.19,416 0.229,417 2.362,418 1.077,419 0.117,420 0.123,422 0.214,423 0.111,424 0.839,425 -0.162,426 2.152,427 0.626,428 -0.342,429 -0.371,431 -0.672,432 -0.328,433 0.626,434 -0.465,435 2,436 0.313,437 -0.649,438 -0.724,440 -1.357,441 -0.621,442 0.482,443 -0.6,444 1.898,445 0.161,446 -0.83,447 -1,449 -2,450 -0.819,451 11.633,452 0.485,453 0.383,454 0.016,455 22.75,456 0.948,457 8.5,458 0.354,459 14.25,460 0.594,461 24.58,462 1.024,463 28.567,464 0.493,465 13.477,466 0.562,467 3.883,468 0.162,469 7.82,470 0.326,471 0.129,473 0.206,479 0.998,480 1.521,481 1.113,482 1.353,483 1.015,484 1.256,485 1.412,486 1.104,487 1.122,488 1.066,489 0.969,490 1.064,491 1.144,492 1.087,493 1.038,494 1.081,495 1.063,496 1.061,497 0.986,498 0.991,499 0.939,500 0.984,501 1.015,502 0.964,503 0.87,504 0.913,505 0.874,506 0.937,507 0.861,508 0.913,509 1.449,510 1.105,511 1.079,512 1.061,513 1.364,514 1.054,515 1.327,516 1.022,517 1.175,518 1.057,519 1.406,520 1.096,521 0.991,522 1.013,523 0.973,524 1.037,525 1.007,526 1.011,527 3.5,528 0.074,529 1.778,530 0.854,531 0.733,532 0.483,533 0.369,534 0.213,535 0.154,536 0.09,537 6926,538 11108,539 1.996,540 58.6,541 15,542 13,543 1,545 1,547 4,550 1.662,551 1.895,552 3.645,553 -0.424,559 72.55,560 1.251,561 2.836,562 4.169,563 4.647,564 4.965,565 5.129,566 3.126,567 4.418,568 4.544,569 3.828,570 1056.55,571 7.813,572 13578.7,577 339.763,578 1.236,579 4.528,580 0.14,581 0.005,582 0.057,583 0.029,584 0.028,585 0.019,586 0.015,587 0.011,588 0.009,589 0.006,590 0.32,591 0.5,592 0.75,593 2.609,594 118.757,595 0.054,596 -0.171,597 0.05,598 -0.08,599 0.062,600 -0.025,601 -0.097,602 0.058,603 -0.026,604 0.017,605 0.105,606 0.007,607 -0.033,608 -0.062,609 -0.023,610 -0.042,611 0.026,612 -0.034,613 0.007,614 -0.027,615 0.037,617 0.003,618 0.018,619 0.199,620 0.045,621 0.106,622 0.035,623 0.165,624 0.058,625 -0.083,626 -0.095,627 -0.048,628 -0.046,629 -0.096,630 -0.048,631 -0.043,632 -0.004,633 -0.151,634 -0.077,635 -0.182,636 -0.116,637 0.011,638 -0.063,639 -0.003,640 -0.056,641 0.029,642 -0.033,643 0.67,644 2.467,645 0.375,646 29.375,647 0.977,648 1.135,649 4.695,650 22.047,651 0.615,652 3.258,653 3.466,654 3.638,655 3.85,656 4.025,657 4.094,658 4.174,659 4.248,660 4.094,661 4.078,662 7.46,663 0.555,664 330.57,665 3.258,666 4.727,667 5.517,668 6.344,669 7.169,670 8.015,671 8.862,672 9.721,673 10.582,674 11.45,675 3.4,678 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 58,716 10,717 1,718 25,720 59,721 21,722 8,723 3,724 3,730 2,731 3,736 1,743 8,745 8,746 13,764 34,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,815 1,819 1,823 3,827 24,833 10,835 1,838 1,847 1.7,852 1,854 12.667,855 10.95,856 5.639,857 4.049,858 2.056,859 1.306,860 0.933,861 8.512,862 8.771,863 3.434,864 3.917,865 4.462,866 5.057,867 5.548,868 5.872,869 6.229,870 6.557,871 6.327,872 6.365,873 0.889,874 29,875 8.924,877 3.482,878 7.319,879 18.087,881 14.347,883 1.819,884 43.667,885 0.001,888 388.446,889 103.215,890 19.91,892 11,895 103.215,896 399.446,897 19.91,898 25.618,899 26.974,900 37.476,902 41.912,903 13.915,904 376.675,906 388.446,907 123.124,908 11,911 341.362,912 58.084,915 55.709,916 67.415,919 388.446,920 30.91,921 103.215,924 388.446,925 40.12,926 66.218,927 16.786,928 11,929 388.446,930 30.91,931 103.215,933 0.544,934 0.288,935 0.15,936 0.085,937 11,938 5,939 0.203,940 12,941 1,942 1.222,943 3.82,944 167.753,945 0.222,946 9,947 108.039,951 19.173,952 10.656,953 6.711,954 2.501,955 14.124,956 8.538,958 3.366,961 2.374,963 16.786,964 522.571,965 30,975 56.669,976 65.849,977 0.214,978 0.484,979 0.712,980 0.793,981 0.848,982 0.876,983 4.61,984 1.181,985 5.434,986 3.145,987 4.143,988 4.6,989 1.235,990 6.133,991 4.073,992 5.739,993 0.858,994 6.913,995 2.313,996 3.434,997 4.311,998 0.325,999 6.862,1000 3.317,1001 6.995,1002 0.668,1003 8.501,1004 1.895,1005 5.602,1006 6.761,1007 0.938,1008 9.972,1009 5.475,1010 8.301,1011 0.389,1012 10.162,1013 1.268,1014 5.802,1015 7.476,1016 0.268,1017 11.675,1018 5.645,1019 9.656,1020 0.117,1021 11.874,1022 0.86,1023 7.37,1024 9.359,1025 0.732,1026 14.277,1027 7.203,1028 11.045,1029 -0.342,1030 13.625,1031 0.214,1032 8.042,1033 10.524,1034 0.188,1035 16.37,1036 7.864,1037 12.463,1038 -0.649,1039 15.403,1040 -0.672,1041 9.347,1042 12.182,1043 0.57,1044 18.803,1045 9.158,1046 3.093,1047 -0.83,1048 17.204,1049 -1.357,1050 10.262,1051 13.544,1052 0.125,1053 21.047,1054 10.067,1055 2.401,1056 10.362,1057 19.022,1058 -2,1059 11.455,1060 15.111,1061 0.438,1062 23.42,1063 11.25,1064 2.214,1065 6.871,1066 20.852,1067 4.504,1068 12.486,1069 16.556,1070 0.082,1071 25.722,1072 12.274,1073 1.913,1074 5.992,1075 22.693,1076 3.13,1077 13.636,1078 18.086,1079 0.334,1080 28.073,1081 13.413,1082 1.876,1083 5.024,1084 24.542,1085 2.683,1086 14.72,1087 19.566,1088 0.054,1089 30.397,1090 14.488,1091 1.613,1092 3.789,1093 26.398,1094 2.182,1095 15.855,1096 21.081,1097 0.252,1098 32.74,1099 15.609,1100 1.286,1101 3.481,1102 28.258,1103 1.911,1104 16.963,1105 22.575,1106 0.035,1107 35.073,1108 16.706,1109 7085,1110 9156,1111 16.583,1112 35.648,1113 35.18,1114 35.257,1115 36.241,1116 35.258,1117 35.215,1118 42.943,1119 3.32,1120 90.43,1121 33.934,1122 5.492,1123 5.19,1124 6.523,1125 5.136,1126 5.093,1127 7.504,1128 1.72,1129 17.026,1130 5.043,1131 11.657,1132 1.407,1133 1.41,1134 1.45,1135 1.41,1136 1.409,1137 1.718,1138 0.133,1139 3.617,1140 1.357,1141 4.132,1142 4.164,1143 4.089,1144 4.045,1145 4.994,1146 4.052,1147 3.796,1148 3.861,1149 3.631,1150 3.674,1151 4.587,1152 3.654,1153 3.666,1154 3.744,1155 3.529,1156 3.493,1157 4.318,1158 3.489,1159 3.612,1160 3.684,1161 3.442,1162 3.448,1163 4.215,1164 3.434,1165 3.446,1166 3.505,1167 3.313,1168 3.262,1169 4.075,1170 3.268,1171 3.308,1172 3.389,1173 3.104,1174 3.15,1175 3.94,1176 3.128,1177 3.135,1178 3.227,1179 2.949,1180 2.926,1181 3.778,1182 2.922,1183 3.001,1184 3.101,1185 2.746,1186 2.79,1187 3.619,1188 2.763,1189 0.182,1190 0.128,1191 0.262,1192 0.163,1193 0.124,1194 4.551,1195 0.18,1196 3.19,1197 0.034,1198 6.547,1199 0.414,1200 4.077,1201 0.122,1202 3.093,1203 4.504,1204 0.86,1205 10.362,1206 3.043,1207 1.938,1208 1.919,1209 2.06,1210 2.031,1211 1.41,1212 2.033,1213 1.801,1214 1.74,1215 2.022,1216 1.956,1217 1.253,1218 1.99,1219 1.686,1220 1.623,1221 1.918,1222 1.901,1223 1.223,1224 1.908,1225 1.63,1226 1.562,1227 1.893,1228 1.813,1229 1.064,1230 1.849,1231 1.45,1232 1.367,1233 1.698,1234 1.692,1235 0.957,1236 1.696,1237 1.373,1238 1.297,1239 1.692,1240 1.595,1241 0.784,1242 1.633,1243 1.137,1244 1.061,1245 1.45,1246 1.393,1247 0.664,1248 1.418,1249 1.034,1250 0.935,1251 1.417,1252 1.294,1253 0.508,1254 1.342,1255 3.932,1257 5.165,1258 2.398,1259 6.575,1260 4.727,1261 8.085,1262 6.823,1263 9.664,1265 6.498,1271 12.2,1273 5.967,1276 2.222,1280 32.186,1281 72.55,1282 164.475,1283 241.831,1284 269.524,1285 287.988,1286 297.498,1287 40.698,1288 6.715,1289 28.26,1290 28.26,1291 11,1292 11.998,1293 3.459,1294 2.585,1295 48.931,1296 104,1297 130,1298 0.224,1299 203.298,1300 345.57,1301 487.807,1302 7234,1304 17.2,1305 0.717,1306 0.656,1307 17.2,1308 15.736,1309 11.703,1310 0.468,1311 0.383,1312 9.487,1313 11.379,1314 9.149,1315 7.771,1316 11.703,1317 9.579,1318 9.675,1319 0.312,1320 0.227,1321 9.675,1322 7.044,1323 7.251,1324 0.196,1325 0.124,1326 7.251,1327 4.584,1328 5.672,1329 0.123,1330 0.066,1331 5.672,1332 3.047,1333 4.484,1334 0.082,1335 0.037,1336 4.484,1337 2.059,1338 0.368,1339 72.36,1340 0.246,1341 24.436,1342 0.57,1343 112,1344 237.714,1345 118.679,1346 232.022,1347 321.82,1348 220,1349 124,1350 235.835,1351 131.152,1352 243.167,1353 349.53,1354 227,1355 7.377} {0 CHEMBL322349,1 1.464,2 8.474,3 2.953,4 8.72,5 76.201,6 6.676,7 0.5,8 3.732,9 3.863,10 3.2,11 3.217,12 4.775,13 3.184,14 4.275,15 4.484,16 3.514,17 3.577,18 5.279,19 3.521,20 4.448,21 4.654,22 3.484,23 3.682,24 5.428,25 3.588,26 4.535,27 4.789,28 3.377,29 3.649,30 5.446,31 3.525,32 4.392,33 4.648,34 3.33,35 3.536,36 5.309,37 3.417,38 4.29,39 4.509,40 3.243,41 3.489,42 5.237,43 3.376,44 4.333,45 4.598,46 3.091,47 3.411,48 5.251,49 3.258,50 4.158,51 4.428,52 2.755,53 3.174,54 5.046,55 3,56 0.023,57 0.546,58 9.026,59 3.58,60 5.984,61 5.047,62 0.239,63 0.84,64 16.49,65 5.55,66 22.526,67 8.183,68 0.188,69 0.932,70 19.659,71 7.063,72 26.832,73 9.952,74 0.249,75 0.949,76 21.839,77 7.343,78 35.208,79 10.698,80 0.226,81 0.845,82 18.753,83 6.564,84 25.888,85 9.573,86 0.156,87 0.792,88 16.749,89 5.877,90 20.662,91 8.496,92 0.272,93 0.781,94 17.835,95 5.773,96 25.839,97 8.748,98 0.16,99 0.615,100 14.962,101 4.949,102 26.235,103 7.318,104 29,105 27,106 0.265,107 0.607,108 0.785,109 0.826,110 0.826,111 0.826,112 3.01,113 0.983,114 -3.52,115 -3.49,116 -3.34,119 38.5,120 1,121 2,124 2,125 1,140 3,141 2,142 1,149 1,150 1,156 1,169 5,171 1,172 5,176 3,178 4,182 5,186 3,189 4,193 4,199 4,203 4,206 2,211 5,215 2,222 3,225 1,226 2,229 1,231 1,233 2,242 1,244 1,248 1,249 1,259 452,260 12.593,261 12.593,262 12.593,263 12.593,264 12.593,265 11.309,266 13.053,267 7.485,268 12.862,269 9.809,270 9.809,271 9.809,272 9.809,273 9.809,274 7.744,275 12.131,276 3.513,277 10.217,278 3.822,279 1.932,280 0.949,281 0.725,282 0.725,283 0.725,284 3.665,287 1,288 1,289 1,290 325,291 3.464,294 42.32,295 48.15,298 75.962,302 1.391,303 14.244,304 1,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 41,315 161,316 4.552,317 3.703,318 6.547,319 4.079,320 3.095,321 4.504,322 2.443,323 10.365,324 3.044,325 3.835,326 3.168,327 5.452,328 3.476,329 2.53,330 3.205,331 0.8,332 7.272,333 2.378,334 3.473,335 2.633,336 5.134,337 3.185,338 2.244,339 2.742,340 0.286,341 6.056,342 2.128,343 3.326,344 2.508,345 4.743,346 3.004,347 2.024,348 2.58,350 5.201,351 1.953,352 3.145,353 2.066,354 4.624,355 2.822,356 1.853,357 2.182,359 5.024,360 1.784,361 2.714,362 1.321,363 4.123,364 2.238,365 1.26,366 1.806,368 3.427,369 1.23,370 2.22,371 1.049,372 3.294,373 1.799,374 0.846,375 1.119,377 1.925,378 0.803,379 1.613,380 0.957,381 2.926,382 1.422,383 0.456,384 0.51,386 0.968,387 0.437,388 1.496,389 0.658,390 2.828,391 1.311,392 0.321,393 0.362,395 0.507,396 0.315,397 1.166,398 0.38,399 2.294,400 0.744,401 -0.229,402 -0.293,404 -0.526,405 -0.219,406 0.636,407 -0.272,408 2,409 0.212,410 -0.759,411 -0.911,413 -1.966,414 -0.728,415 0.592,416 -0.6,417 2,418 0.136,419 -0.858,420 -1,422 -2,423 -0.851,424 0.14,425 -0.602,426 1.795,427 -0.1,428 -1,429 -1.261,431 -2.616,432 -0.9,434 -0.879,435 1.503,436 -0.176,437 -1.147,438 -1.452,440 -2.964,441 -1.1,442 -0.177,443 -1.006,444 1.054,445 -0.382,446 -1.406,447 -1.724,449 -3.237,450 -1.431,451 8.967,452 0.472,453 0.489,454 0.026,455 22,456 1.158,457 10,458 0.526,459 12,460 0.632,461 14.665,462 0.772,463 21.633,464 0.555,465 14.674,466 0.772,467 4.415,468 0.232,469 4.681,470 0.246,471 0.204,473 0.323,479 0.802,480 1.496,481 0.892,482 1.265,483 0.609,484 1.111,485 0.845,486 0.944,487 0.857,488 0.867,489 0.49,490 0.841,491 1.226,492 1.144,493 1.097,494 1.134,495 1.018,496 1.108,497 1.156,498 0.956,499 0.993,500 0.94,501 1.091,502 0.946,503 0.746,504 0.938,505 0.852,506 0.976,507 0.882,508 0.937,509 1.117,510 1.251,511 1.127,512 1.192,513 0.96,514 1.171,515 0.803,516 1.018,517 1.073,518 1.073,519 0.774,520 1.099,521 1.082,522 1.094,523 1.119,524 1.139,525 1.428,526 1.139,527 4.5,528 0.033,529 2,530 1.104,531 0.813,532 0.511,533 0.502,534 0.269,535 0.121,536 0.08,537 2975,538 7234,539 1.965,540 51.3,541 3,542 11,543 1,545 1,546 2,547 2,550 1.603,551 1.81,552 3.085,553 -0.301,555 1,557 1,559 57.089,560 1.464,561 3.353,562 4.336,563 4.561,564 4.561,565 4.561,566 2.505,567 3.932,568 4.212,569 3.213,570 549.437,571 7.182,572 5444.09,573 1,574 1,575 1,576 1,577 206.131,578 1.509,579 4.159,580 0.225,581 0.007,582 0.074,583 0.044,584 0.037,585 0.024,586 0.026,587 0.018,588 0.012,589 0.016,590 0.484,591 0.67,592 1,593 1.722,594 82.744,595 -0.013,596 -0.23,597 0.051,598 -0.111,599 -0.036,600 -0.034,601 0.117,602 0.194,603 0.124,604 0.151,605 0.167,606 0.153,607 -0.135,608 -0.101,609 -0.118,610 -0.094,611 -0.068,612 -0.103,613 -0.11,614 0.002,615 -0.012,616 0.036,617 -0.062,618 0.027,619 0.124,620 0.045,621 0.111,622 0.011,623 0.041,624 0.05,625 -0.122,626 -0.218,627 -0.158,628 -0.17,629 -0.099,630 -0.174,631 0.093,632 -0.025,633 -0.105,634 -0.125,635 0.047,636 -0.141,637 -0.092,638 -0.179,639 -0.148,640 -0.187,641 -0.129,642 -0.178,643 1.871,644 4.319,645 0.474,646 15.44,647 0.995,648 1.132,649 2.289,650 5.238,651 0.635,652 3.045,653 3.332,654 3.526,655 3.761,656 3.951,657 4.025,658 4.143,659 4.205,660 3.932,661 3.829,662 5.093,663 0.595,664 260.37,665 3.045,666 4.554,667 5.371,668 6.232,669 7.081,670 7.953,671 8.817,672 9.696,673 10.568,674 11.45,675 5.1,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 39,716 11,717 1,718 20,720 40,721 15,722 8,723 3,724 3,730 2,731 3,736 1,743 2,745 9,746 6,750 1,755 1,759 1,760 1,761 1,764 20,765 3,766 1,767 4,773 2,777 0.5,778 2,788 1,792 1,793 1,796 1,808 1,815 1,819 1,823 3,827 19,833 3,835 1,838 1,847 5.1,850 1,852 1,854 10.5,855 7.867,856 4.306,857 2.424,858 2.172,859 1.345,860 0.945,861 4.482,862 8.473,863 3.296,864 3.876,865 4.438,866 5.057,867 5.56,868 5.905,869 6.315,870 6.661,871 6.436,872 6.495,873 0.833,874 25,875 7.013,877 2.819,878 7.702,879 13.524,881 10.583,883 2.202,884 41.833,885 0.001,888 223.651,889 90.606,890 19.91,892 36.145,895 90.606,896 259.796,897 19.91,898 25.618,899 7.175,900 37.476,901 32.336,902 41.912,903 13.915,904 211.88,906 223.651,907 110.516,908 36.145,911 200.109,912 59.687,915 35.91,916 74.606,919 223.651,920 56.055,921 90.606,924 223.651,925 27.512,926 66.218,927 16.786,928 36.145,929 223.651,930 56.055,931 90.606,933 0.571,934 0.31,935 0.156,936 0.091,937 12,938 6,939 0.15,940 6,941 1,942 1.222,943 3.113,944 130.892,945 0.222,946 9,947 78.711,951 13.94,952 6.11,953 3.505,954 2.202,955 39.269,956 7.735,958 3.247,961 1.864,963 16.786,964 370.312,965 26,970 11.319,974 -0.204,975 38.811,976 44.152,977 0.277,978 0.634,979 0.82,980 0.863,981 0.863,982 0.863,983 4.505,984 0.456,985 5.352,986 1.925,987 4.007,988 4.559,989 2.485,990 6.12,991 3.933,992 5.706,993 0.321,994 6.887,995 0.968,996 3.611,997 4.46,998 2.283,999 6.969,1000 3.507,1001 7.008,1002 -0.229,1003 8.518,1004 0.507,1005 5.557,1006 6.793,1007 3.851,1008 10.026,1009 5.421,1010 8.349,1011 -0.759,1012 10.206,1013 -0.526,1014 5.943,1015 7.552,1016 4.273,1017 11.731,1018 5.79,1019 9.723,1020 -0.858,1021 11.933,1022 -1.966,1023 7.387,1024 9.393,1025 5.487,1026 14.323,1027 7.209,1028 11.123,1029 -1,1030 13.688,1031 -2,1032 8.149,1033 10.561,1034 6.159,1035 16.402,1036 7.964,1037 12.544,1038 -1.147,1039 15.467,1040 -2.616,1041 9.393,1042 12.204,1043 7.208,1044 18.831,1045 9.189,1046 3.095,1047 -1.406,1048 17.264,1049 -2.964,1050 10.343,1051 13.562,1052 7.992,1053 21.067,1054 10.134,1055 2.53,1056 10.365,1057 19.076,1058 -3.237,1059 11.507,1060 15.124,1061 8.963,1062 23.437,1063 11.284,1064 2.244,1065 7.272,1066 20.901,1067 4.504,1068 12.549,1069 16.566,1070 9.802,1071 25.735,1072 12.319,1073 2.024,1074 6.056,1075 22.736,1076 3.205,1077 13.684,1078 18.093,1079 10.734,1080 28.084,1081 13.441,1082 1.853,1083 5.201,1084 24.579,1085 2.742,1086 14.769,1087 19.571,1088 11.599,1089 30.406,1090 14.518,1091 1.26,1092 5.024,1093 26.43,1094 2.58,1095 15.895,1096 21.085,1097 12.512,1098 32.748,1099 15.631,1100 0.846,1101 3.427,1102 28.286,1103 2.182,1104 17.002,1105 22.579,1106 13.391,1107 35.08,1108 16.727,1109 3125,1110 4974,1111 12.83,1112 24.773,1113 29.347,1114 30.208,1115 30.743,1116 29.303,1117 29.261,1118 38.018,1119 7.058,1120 81.488,1121 28.144,1122 5.385,1123 5.703,1124 6.099,1125 5.125,1126 5.095,1127 7.504,1128 4.174,1129 17.03,1130 5.044,1131 10.854,1132 1.467,1133 1.51,1134 1.537,1135 1.465,1136 1.463,1137 1.901,1138 0.353,1139 4.074,1140 1.407,1141 4.131,1142 4.162,1143 4.09,1144 4.044,1145 7.432,1146 4.051,1147 3.672,1148 3.743,1149 3.573,1150 3.486,1151 4.983,1152 3.494,1153 3.625,1154 3.673,1155 3.488,1156 3.416,1157 4.503,1158 3.421,1159 3.391,1160 3.451,1161 3.264,1162 3.23,1163 4.312,1164 3.231,1165 3.138,1166 3.228,1167 2.957,1168 2.925,1169 4.017,1170 2.924,1171 2.936,1172 3.009,1173 2.745,1174 2.737,1175 3.867,1176 2.717,1177 2.874,1178 2.987,1179 2.666,1180 2.618,1181 3.695,1182 2.612,1183 2.839,1184 2.902,1185 2.499,1186 2.584,1187 3.488,1188 2.57,1189 0.228,1190 0.185,1191 0.327,1192 0.204,1193 0.155,1194 4.552,1195 0.225,1196 3.703,1197 0.122,1198 6.547,1199 0.518,1200 4.079,1201 0.152,1202 3.095,1203 4.504,1204 2.443,1205 10.365,1206 3.044,1207 1.936,1208 1.919,1209 2.023,1210 2.027,1211 1.249,1212 2.025,1213 1.686,1214 1.623,1215 1.901,1216 1.901,1217 1.066,1218 1.908,1219 1.567,1220 1.516,1221 1.841,1222 1.787,1223 1.001,1224 1.801,1225 1.449,1226 1.367,1227 1.692,1228 1.688,1229 0.784,1230 1.694,1231 1.132,1232 1.059,1233 1.42,1234 1.394,1235 0.509,1236 1.411,1237 0.934,1238 0.854,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.913,1244 0.804,1245 1.16,1246 1.202,1247 0.25,1248 1.186,1249 0.815,1250 0.755,1251 1.112,1252 1.038,1253 0.18,1254 1.069,1255 3.714,1257 5.004,1258 2.398,1259 6.472,1260 4.727,1261 8.029,1262 6.823,1263 9.642,1265 5.909,1271 2.35,1273 5.258,1276 2.153,1280 23.214,1281 57.089,1282 130.772,1283 169.111,1284 177.866,1285 177.866,1286 177.866,1287 29.008,1288 6.301,1289 45.33,1290 45.33,1291 11,1292 11.987,1293 3.585,1294 2.807,1295 33.633,1296 56,1297 58,1298 0.301,1299 146.813,1300 247.92,1301 349.983,1302 3661,1304 13.828,1305 0.728,1306 0.615,1307 13.828,1308 11.694,1309 9.097,1310 0.455,1311 0.328,1312 6.452,1313 8.714,1314 6.184,1315 5.224,1316 9.097,1317 6.553,1318 8.161,1319 0.302,1320 0.182,1321 8.161,1322 4.902,1323 6.218,1324 0.188,1325 0.094,1326 6.218,1327 3.088,1328 4.793,1329 0.114,1330 0.047,1331 4.793,1332 1.976,1333 3.876,1334 0.076,1335 0.027,1336 3.876,1337 1.372,1338 0.462,1339 57.209,1340 0.279,1341 19.031,1342 0.847,1343 94,1344 273.449,1345 103.668,1346 261.159,1347 353.18,1348 244,1349 107,1350 257.289,1351 116.146,1352 260.823,1353 376.07,1354 243,1355 7.77} {0 CHEMBL323264,1 1.524,2 9.048,3 1.748,4 3.056,5 82.3,6 6.843,7 0.435,8 3.836,9 3.986,10 3.331,11 3.292,12 4.856,13 3.273,14 4.402,15 4.617,16 3.68,17 3.712,18 5.387,19 3.658,20 4.642,21 4.879,22 3.684,23 3.866,24 5.551,25 3.766,26 4.725,27 4.994,28 3.585,29 3.844,30 5.625,31 3.712,32 4.619,33 4.904,34 3.5,35 3.702,36 5.467,37 3.581,38 4.441,39 4.699,40 3.391,41 3.576,42 5.362,43 3.476,44 4.348,45 4.603,46 3.282,47 3.471,48 5.284,49 3.349,50 4.309,51 4.598,52 2.978,53 3.282,54 5.198,55 3.143,56 0.034,57 0.662,58 9.818,59 3.252,60 6.787,61 5.142,62 0.297,63 1.028,64 18.429,65 5.655,66 24.132,67 8.972,68 0.218,69 1.192,70 23.616,71 7.625,72 28.481,73 11.892,74 0.332,75 1.177,76 26.323,77 8.123,78 43.145,79 12.852,80 0.243,81 1.048,82 23.766,83 6.919,84 30.374,85 11.349,86 0.277,87 0.926,88 19.789,89 5.418,90 25.357,91 8.9,92 0.184,93 0.817,94 17.771,95 5.55,96 24.281,97 8.819,98 0.28,99 0.698,100 17.868,101 4.48,102 28.78,103 7.506,104 13,105 32,106 0.27,107 0.634,108 0.797,109 0.831,110 0.831,111 0.831,112 3.104,113 0.955,114 -2.38,115 -2.41,116 -2.37,119 35.7,121 2,122 1,124 2,125 2,140 2,141 1,144 1,145 1,149 1,150 1,157 1,169 4,172 4,174 3,175 1,176 3,178 3,182 3,184 1,186 3,189 1,192 1,193 4,195 1,197 4,199 2,203 1,207 1,208 2,211 3,214 1,215 1,218 1,220 3,222 2,226 2,229 1,230 1,231 1,237 3,240 1,242 2,259 572,260 14.248,261 14.248,262 14.248,263 14.248,264 14.248,265 12.989,266 19.928,267 8.338,268 14.594,269 11.286,270 11.286,271 11.286,272 11.286,273 11.286,274 9.249,275 24.892,276 3.911,277 11.773,278 3.868,279 1.812,280 0.893,281 0.703,282 0.703,283 0.703,284 3.783,287 1,288 1,289 1,290 402,291 2.828,294 44.136,295 112.552,298 80.35,302 1.392,303 15.279,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45.5,315 190,316 4.586,317 3.541,318 6.719,319 4.149,320 3.173,321 4.52,322 1.656,323 10.946,324 3.099,325 3.877,326 3.294,327 5.783,328 3.603,329 2.64,330 3.235,331 0.8,332 7.945,333 2.54,334 3.667,335 2.782,336 5.409,337 3.413,338 2.459,339 2.891,340 0.247,341 7.076,342 2.342,343 3.392,344 2.533,345 5.035,346 3.122,347 2.175,348 2.601,350 6.01,351 2.05,352 3.284,353 2.235,354 4.743,355 2.91,356 1.947,357 2.39,359 5.202,360 1.862,361 2.849,362 1.522,363 4.542,364 2.471,365 1.502,366 1.952,368 4.35,369 1.452,370 2.551,371 1.181,372 3.962,373 2.096,374 1.145,375 1.566,377 3.028,378 1.085,379 2.046,380 1.098,381 3.414,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 1.077,390 3.248,391 1.605,392 0.649,393 0.878,395 1.56,396 0.619,397 1.506,398 0.741,399 2.877,400 1.297,401 0.367,402 0.399,404 0.549,405 0.338,406 1.21,407 0.391,408 2.487,409 0.852,410 -0.124,411 -0.142,413 -0.27,414 -0.12,415 0.841,416 -0.028,417 2.285,418 0.649,419 -0.326,420 -0.392,422 -0.769,423 -0.314,424 0.636,425 -0.469,426 2,427 0.128,428 -0.857,429 -1,431 -2.207,432 -0.841,433 0.506,434 -0.781,435 2,436 0.072,437 -0.894,438 -1.115,440 -2.672,441 -0.853,442 0.006,443 -0.784,444 1.915,445 -0.049,446 -1,447 -1.266,449 -3,450 -0.946,451 9.833,452 0.468,453 0.503,454 0.024,455 24.5,456 1.167,457 10,458 0.476,459 14.5,460 0.69,461 17.05,462 0.812,463 23.767,464 0.566,465 16.373,466 0.78,467 4.776,468 0.227,469 5.393,470 0.257,471 0.136,473 0.346,479 0.902,480 1.624,481 0.879,482 1.227,483 0.598,484 1.064,485 0.762,486 1.007,487 0.9,488 0.915,489 0.468,490 0.915,491 0.92,492 1.152,493 1.014,494 1.13,495 0.835,496 1.093,497 0.88,498 0.994,499 0.986,500 1.025,501 0.921,502 1.025,503 0.814,504 1.027,505 0.86,506 0.959,507 0.717,508 0.918,509 1.149,510 0.954,511 1.13,512 0.99,513 0.976,514 1.035,515 0.705,516 1.258,517 0.986,518 1.276,519 0.741,520 1.188,521 1.43,522 0.865,523 1.189,524 0.934,525 1.48,526 1.011,527 4.5,528 0.066,529 2.444,530 1.257,531 1.001,532 0.573,533 0.475,534 0.339,535 0.175,536 0.071,537 4174,538 9943,539 2.074,540 50,541 1,542 12,543 1,545 3,547 4,550 1.633,551 1.938,552 3.176,553 1.109,554 1,555 1,557 1,559 64.026,560 1.524,561 3.58,562 4.499,563 4.69,564 4.69,565 4.69,566 2.684,567 3.975,568 4.359,569 3.267,570 686.073,571 7.478,572 7163.64,573 1,574 1,576 1,577 226.477,578 1.418,579 4.322,580 0.196,581 0.013,582 0.076,583 0.041,584 0.037,585 0.023,586 0.022,587 0.018,588 0.013,589 0.008,590 0.447,591 0.67,592 1,593 1.238,594 94.307,595 -0.077,596 -0.288,597 0.053,598 -0.077,599 -0.022,600 -0.004,601 0.158,602 0.177,603 0.063,604 0.124,605 0.165,606 0.086,607 -0.064,608 -0.083,609 -0.066,610 -0.079,611 -0.002,612 -0.075,613 0.013,614 -0.024,615 -0.024,616 -0.022,617 0.016,618 -0.03,619 0.021,620 -0.08,621 0.106,622 0.014,623 0.027,624 0.066,625 -0.126,626 0.1,627 -0.147,628 -0.037,629 -0.116,630 -0.083,631 0.15,632 -0.258,633 -0.032,634 -0.259,635 0.086,636 -0.185,637 -0.205,638 0.056,639 -0.175,640 -0.042,641 -0.184,642 -0.093,643 1.918,644 4.403,645 0.714,646 16.676,647 0.998,648 1.143,649 1.149,650 1.32,651 0.633,652 3.178,653 3.497,654 3.761,655 4.025,656 4.263,657 4.357,658 4.5,659 4.615,660 4.575,661 4.522,662 5.245,663 0.596,664 287.41,665 3.178,666 4.71,667 5.557,668 6.435,669 7.306,670 8.193,671 9.075,672 9.968,673 10.857,674 11.752,675 11.9,678 1,682 2,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 42,716 11,718 23,720 44,721 15,722 7,730 3,731 4,735 1,740 2,741 1,743 2,745 8,746 7,747 1,750 1,755 1,759 1,760 1,761 1,764 21,765 5,766 3,767 6,773 5,777 0.667,778 1,786 1,788 1,792 1,793 2,796 1,815 1,819 2,823 2,827 21,833 4,834 2,837 1,838 1,847 2.4,850 1,854 10.833,855 7.9,856 4.667,857 2.528,858 2.167,859 1.315,860 0.984,861 4.128,862 9.044,863 3.401,864 3.975,865 4.55,866 5.164,867 5.677,868 6.053,869 6.475,870 6.852,871 6.818,872 6.967,873 1,874 31,875 7.761,877 3.246,878 7.651,879 15.1,881 12.457,883 2.151,884 45.167,885 0.001,888 211.88,889 68.151,890 72.717,892 25.145,895 68.151,896 237.025,897 72.717,898 16.793,899 45.302,900 28,901 41.93,902 25.24,903 20.519,904 200.109,906 211.88,907 140.868,908 25.145,911 164.795,912 72.229,915 67.356,916 56.726,917 16.786,919 211.88,920 97.862,921 68.151,924 211.88,925 23.358,926 47.917,927 52.807,928 41.93,929 211.88,930 97.862,931 68.151,933 0.579,934 0.335,935 0.173,936 0.099,937 16,938 7,939 0.045,940 2,941 1,942 1.133,943 3.333,944 161.395,945 0.133,946 15,947 88.239,951 14.357,952 6.038,953 3.038,954 1.991,955 81.076,956 5.843,957 4.601,958 3.287,961 1.842,963 52.807,964 377.892,965 29,970 11.403,974 -0.252,975 41.905,976 48.023,977 0.283,978 0.664,979 0.834,980 0.87,981 0.87,982 0.87,983 4.64,984 1,985 5.541,986 3.028,987 4.174,988 4.659,989 1.911,990 6.344,991 4.096,992 5.828,993 0.649,994 7.094,995 2.275,996 3.761,997 4.527,998 1.305,999 7.235,1000 3.66,1001 7.131,1002 0.367,1003 8.744,1004 1.56,1005 5.759,1006 6.861,1007 2.455,1008 10.329,1009 5.613,1010 8.471,1011 -0.124,1012 10.452,1013 0.549,1014 6.155,1015 7.61,1016 2.354,1017 12.082,1018 5.994,1019 9.846,1020 -0.326,1021 12.199,1022 -0.27,1023 7.626,1024 9.442,1025 3.254,1026 14.708,1027 7.428,1028 11.246,1029 -0.857,1030 13.975,1031 -0.769,1032 8.404,1033 10.608,1034 3.414,1035 16.832,1036 8.196,1037 12.668,1038 -0.894,1039 15.773,1040 -2.207,1041 9.667,1042 12.246,1043 4.158,1044 19.303,1045 9.427,1046 3.173,1047 -1,1048 17.59,1049 -2.672,1050 10.634,1051 13.606,1052 4.466,1053 21.585,1054 10.383,1055 2.64,1056 10.946,1057 19.421,1058 -3,1059 11.814,1060 15.165,1061 5.112,1062 24.003,1063 11.537,1064 2.459,1065 7.945,1066 21.265,1067 4.52,1068 12.873,1069 16.61,1070 5.504,1071 26.35,1072 12.582,1073 2.175,1074 7.076,1075 23.119,1076 3.235,1077 14.025,1078 18.139,1079 6.091,1080 28.75,1081 13.711,1082 1.947,1083 6.01,1084 24.982,1085 2.891,1086 15.129,1087 19.62,1088 6.531,1089 31.123,1090 14.798,1091 1.502,1092 5.202,1093 26.851,1094 2.601,1095 16.274,1096 21.136,1097 7.083,1098 33.518,1099 15.92,1100 1.145,1101 4.35,1102 28.727,1103 2.39,1104 17.4,1105 22.633,1106 7.551,1107 35.902,1108 17.028,1109 4142,1110 6502,1111 15.315,1112 26.574,1113 34.299,1114 35.166,1115 35.812,1116 34.082,1117 34.113,1118 42.864,1119 5.406,1120 97.882,1121 32.74,1122 5.586,1123 5.541,1124 6.27,1125 5.204,1126 5.173,1127 7.52,1128 2.912,1129 18.076,1130 5.06,1131 10.074,1132 1.491,1133 1.529,1134 1.557,1135 1.482,1136 1.483,1137 1.864,1138 0.235,1139 4.256,1140 1.423,1141 4.13,1142 4.172,1143 4.092,1144 4.016,1145 7.431,1146 4.029,1147 3.807,1148 3.875,1149 3.689,1150 3.653,1151 5.039,1152 3.653,1153 3.611,1154 3.68,1155 3.538,1156 3.342,1157 4.431,1158 3.377,1159 3.364,1160 3.44,1161 3.248,1162 3.162,1163 4.327,1164 3.175,1165 3.197,1166 3.299,1167 3.015,1168 2.961,1169 4.179,1170 2.958,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.912,1176 2.91,1177 2.986,1178 3.066,1179 2.784,1180 2.736,1181 3.711,1182 2.738,1183 2.792,1184 2.88,1185 2.66,1186 2.518,1187 3.564,1188 2.543,1189 0.199,1190 0.154,1191 0.292,1192 0.18,1193 0.138,1194 4.586,1195 0.197,1196 3.541,1197 0.072,1198 6.719,1199 0.476,1200 4.149,1201 0.135,1202 3.173,1203 4.52,1204 1.656,1205 10.946,1206 3.099,1207 1.918,1208 1.882,1209 2.068,1210 2.055,1211 1.436,1212 2.059,1213 1.808,1214 1.755,1215 1.928,1216 1.989,1217 1.025,1218 1.977,1219 1.457,1220 1.387,1221 1.699,1222 1.766,1223 0.825,1224 1.742,1225 1.431,1226 1.358,1227 1.659,1228 1.673,1229 0.808,1230 1.671,1231 1.177,1232 1.08,1233 1.513,1234 1.457,1235 0.689,1236 1.478,1237 1.153,1238 1.064,1239 1.49,1240 1.376,1241 0.558,1242 1.429,1243 1.043,1244 0.963,1245 1.28,1246 1.307,1247 0.36,1248 1.315,1249 0.824,1250 0.756,1251 1.12,1252 1.084,1253 0.24,1254 1.106,1255 3.85,1257 5.165,1258 2.398,1259 6.673,1260 4.727,1261 8.27,1262 6.843,1263 9.915,1265 3.753,1271 4.539,1272 5.262,1275 0.54,1276 2.358,1280 25.036,1281 64.026,1282 150.364,1283 188.968,1284 196.968,1285 196.968,1286 196.968,1287 28.465,1288 6.877,1289 73.05,1290 73.05,1291 17,1292 12.279,1293 3.585,1294 2.807,1295 32.136,1296 64,1297 70,1298 0.249,1299 155.806,1300 259.77,1301 371.927,1302 7835,1304 14.82,1305 0.706,1306 0.592,1307 14.82,1308 12.441,1309 10.169,1310 0.442,1311 0.318,1312 7.199,1313 9.712,1314 6.994,1315 5.831,1316 10.169,1317 7.324,1318 9.113,1319 0.285,1320 0.176,1321 9.113,1322 5.618,1323 7.676,1324 0.183,1325 0.099,1326 7.676,1327 4.179,1328 6.112,1329 0.111,1330 0.053,1331 6.112,1332 2.899,1333 5.071,1334 0.072,1335 0.031,1336 5.071,1337 2.135,1338 0.382,1339 64.117,1340 0.256,1341 20.666,1342 0.707,1343 110,1344 294.024,1345 121.4,1346 285.878,1347 393.08,1348 268,1349 129,1350 291.848,1351 140.181,1352 296.588,1353 432.55,1354 278,1355 8.071} {0 CHEMBL323356,1 1.717,2 9.35,3 2.442,4 5.962,5 80.205,6 8.423,7 0.682,8 3.649,9 3.767,10 3.39,11 3.226,12 4.793,13 3.196,14 4.126,15 4.293,16 3.746,17 3.6,18 5.278,19 3.547,20 4.265,21 4.447,22 3.595,23 3.637,24 5.362,25 3.544,26 4.306,27 4.521,28 3.522,29 3.552,30 5.37,31 3.433,32 4.142,33 4.372,34 3.281,35 3.281,36 5.329,37 3.193,38 3.955,39 4.2,40 3.224,41 3.18,42 5.022,43 3.081,44 3.8,45 3.972,46 3.2,47 3.136,48 5.041,49 3.046,50 3.761,51 3.986,52 3.055,53 3.103,54 4.761,55 2.969,56 0.047,57 0.555,58 6.571,59 2.779,60 4.686,61 3.408,62 0.216,63 0.856,64 12.325,65 4.743,66 16.239,67 6.026,68 0.216,69 0.935,70 15.729,71 5.757,72 22.04,73 6.731,74 0.166,75 0.911,76 19.903,77 6.84,78 18.961,79 8.401,80 0.299,81 0.739,82 15.331,83 5.029,84 35.506,85 6.151,86 0.144,87 0.612,88 12.944,89 4.536,90 19.242,91 5.732,92 0.254,93 0.567,94 11.608,95 3.707,96 26.221,97 3.796,98 0.116,99 0.53,100 11.123,101 4.012,102 14.771,103 4.855,104 10,105 31,106 0.314,107 0.679,108 0.794,109 0.867,110 0.878,111 0.878,112 3.057,113 0.948,114 -2.19,115 -2.23,116 -2.2,119 41.2,120 1,124 1,140 5,141 1,142 1,144 1,149 1,150 1,151 1,157 1,169 3,172 5,174 2,175 1,176 3,178 4,182 2,184 1,186 2,189 3,193 3,197 5,199 1,202 1,203 2,206 2,208 2,215 2,220 2,222 2,225 1,226 2,229 1,233 2,237 2,244 3,249 2,256 2,259 462,260 13.326,261 13.326,262 13.326,263 13.326,264 13.326,265 11.343,266 17.311,267 7.784,268 13.707,269 10.871,270 10.871,271 10.871,272 10.871,273 10.871,274 7.892,275 24.218,276 3.74,277 11.44,278 3.371,279 1.371,280 0.739,281 0.339,282 0.28,283 0.28,284 3.733,287 1,288 1,289 1,290 406,291 2.828,294 104.461,295 51.437,298 81.931,302 1.45,303 13.293,305 1,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 43,315 187,316 4.535,317 3.564,318 6.49,319 4.036,320 3.068,321 4.493,322 1.656,323 10.096,324 2.973,325 4.115,326 3.089,327 5.648,328 3.679,329 2.75,330 3.721,331 0.247,332 7.869,333 2.547,334 3.828,335 2.78,336 5.436,337 3.442,338 2.485,339 3.234,341 7.214,342 2.368,343 3.472,344 2.432,345 4.972,346 3.057,347 2.088,348 2.723,350 5.769,351 2.014,352 3.154,353 2.038,354 4.76,355 2.693,356 1.741,357 2.436,359 5.044,360 1.659,361 3.01,362 1.801,363 4.398,364 2.55,365 1.599,366 2.159,368 4.314,369 1.488,370 2.815,371 1.423,372 4.114,373 2.331,374 1.361,375 1.94,377 3.564,378 1.314,379 2.207,380 0.819,381 3.273,382 1.699,383 0.729,384 1.067,386 1.731,387 0.701,388 2.112,389 0.703,390 3.216,391 1.631,392 0.645,393 0.935,395 1.512,396 0.635,397 1.228,398 0.563,399 2.918,400 0.923,401 -0.018,402 -0.02,404 -0.049,405 -0.016,406 1.022,407 0.208,408 2.388,409 0.635,410 -0.37,411 -0.472,413 -0.922,414 -0.364,415 0.773,416 -0.345,417 2.149,418 0.355,419 -0.622,420 -0.813,422 -1.557,423 -0.604,424 0.572,425 -0.467,426 2,427 0.119,428 -0.838,429 -1.018,431 -2.006,432 -0.762,433 0.403,434 -0.704,435 1.762,436 0.092,437 -0.893,438 -1.302,440 -2.473,441 -0.894,442 0.164,443 -1.047,444 1.602,445 -0.257,446 -1.214,447 -1.66,449 -3.23,450 -1.162,451 9.767,452 0.488,453 0.558,454 0.028,455 27.75,456 1.388,457 14.5,458 0.725,459 13.25,460 0.663,461 13.233,462 0.662,463 20.833,464 0.613,465 17.441,466 0.872,467 5.491,468 0.275,469 4.123,470 0.206,471 0.137,473 0.348,479 0.808,480 1.351,481 0.696,482 0.951,483 0.614,484 0.86,485 0.596,486 1.021,487 0.666,488 0.789,489 0.439,490 0.779,491 1.251,492 1.031,493 1.166,494 1.051,495 1.147,496 1.115,497 0.821,498 1.282,499 1.084,500 1.344,501 0.818,502 1.203,503 1.392,504 0.858,505 0.929,506 0.871,507 1.731,508 0.966,509 1.081,510 0.877,511 0.664,512 0.722,513 1.127,514 0.738,515 1.882,516 0.818,517 1.442,518 0.996,519 2.314,520 0.971,521 0.936,522 0.884,523 0.993,524 0.914,525 0.851,526 0.899,527 5,528 0.062,529 2,530 1.924,531 0.608,532 0.643,533 0.223,534 0.254,535 0.121,536 0.111,537 4138,538 11710,539 2.077,540 41.2,542 8,543 1,545 2,546 3,550 1.612,551 1.935,552 3.21,553 0.41,555 1,557 1,559 58.368,560 1.717,561 3.716,562 4.349,563 4.749,564 4.808,565 4.808,566 2.684,567 4.222,568 4.296,569 3.339,570 634.364,571 7.308,572 6584.16,573 1,574 1,576 1,577 172.974,578 1.441,579 4.248,580 0.227,581 0.008,582 0.065,583 0.074,584 0.028,585 0.036,586 0.013,587 0.016,588 0.009,589 0.01,590 0.485,591 0.67,592 1,593 0.627,594 89.667,595 -0.052,596 -0.226,597 0.08,598 -0.049,599 -0.094,600 0.007,601 0.257,602 0.052,603 0.167,604 0.115,605 0.188,606 0.123,607 -0.247,608 0.016,609 -0.265,610 -0.119,611 -0.199,612 -0.209,613 0.053,614 -0.348,615 -0.059,616 -0.324,617 0.092,618 -0.199,619 0.008,620 0.073,621 -0.04,622 -0.006,623 -0.059,624 -0.04,625 -0.012,626 0.014,627 0.268,628 0.206,629 0.09,630 0.262,631 -0.261,632 0.255,633 -0.288,634 0.064,635 -0.337,636 -0.083,637 -0.088,638 0.066,639 0.057,640 0.128,641 0.004,642 0.117,643 1.927,644 4.884,645 0.7,646 14.51,647 1.007,648 1.123,649 0.959,650 0.919,651 0.704,652 3.135,653 3.466,654 3.689,655 3.951,656 3.989,657 4.025,658 4.111,659 4.143,660 4.025,661 4.025,662 5.522,663 0.665,664 286.39,665 3.135,666 4.673,667 5.509,668 6.385,669 7.235,670 8.112,671 8.967,672 9.845,673 10.703,674 11.581,675 11.8,682 2,683 1,685 1,687 2,688 6,689 1,692 1,693 3,694 1,695 15,714 34,716 16,717 1,718 22,720 36,721 14,722 11,723 3,724 3,730 3,731 4,735 1,736 1,745 12,746 2,750 1,755 1,759 1,760 1,761 1,764 14,765 4,766 2,767 6,768 1,771 1,773 4,777 0.667,778 1,788 1,792 2,793 1,796 1,819 2,821 1,823 2,827 20,834 2,847 2.9,850 1,854 10.333,855 6.733,856 4.306,857 1.851,858 2.747,859 1.417,860 1.016,861 3.549,862 9.338,863 3.45,864 4.103,865 4.677,866 5.298,867 5.632,868 5.919,869 6.292,870 6.582,871 6.422,872 6.564,873 1,874 26,875 7.347,877 3.077,878 7.742,879 13.97,881 11.228,883 2.242,884 44.833,885 0.001,888 141.253,889 120.138,890 52.897,892 25.145,894 31.052,895 89.086,896 166.398,897 52.897,898 17.222,899 36.022,900 56.429,901 40.121,902 10.915,903 18.191,904 160.534,906 141.253,907 141.983,908 25.145,909 31.052,911 141.253,912 25.145,915 50.432,916 76.575,917 14.976,918 31.052,919 141.253,920 78.042,921 120.138,924 141.253,925 46.488,926 75.549,927 36.022,928 40.121,929 141.253,930 78.042,931 120.138,933 0.588,934 0.331,935 0.18,936 0.084,937 16,938 7,939 0.056,940 2,941 1,942 1.143,943 3.334,944 146.426,945 0.143,946 14,947 86.439,948 1,951 13.277,952 5.346,953 2.916,954 2.23,955 76.142,956 11.679,957 4.117,960 1.269,961 2.402,962 2.041,963 36.022,964 339.433,965 30.5,970 11.884,974 -0.26,975 34.229,976 38.199,977 0.337,978 0.73,979 0.855,980 0.933,981 0.945,982 0.945,983 4.67,984 0.729,985 5.501,986 3.564,987 4.143,988 4.787,989 1.758,990 6.282,991 4.048,992 5.902,993 0.645,994 7.041,995 1.731,996 3.761,997 4.677,998 1.195,999 7.081,1000 3.616,1001 7.217,1002 -0.018,1003 8.673,1004 1.512,1005 5.714,1006 7.051,1007 2.415,1008 10.149,1009 5.526,1010 8.568,1011 -0.37,1012 10.356,1013 -0.049,1014 6.111,1015 7.775,1016 2.324,1017 11.779,1018 5.874,1019 9.947,1020 -0.622,1021 12.074,1022 -0.922,1023 7.552,1024 9.618,1025 3.244,1026 14.35,1027 7.28,1028 11.348,1029 -0.838,1030 13.817,1031 -1.557,1032 8.316,1033 10.745,1034 3.407,1035 16.356,1036 8,1037 12.765,1038 -0.893,1039 15.58,1040 -2.006,1041 9.548,1042 12.374,1043 4.156,1044 18.751,1045 9.201,1046 3.068,1047 -1.214,1048 17.359,1049 -2.473,1050 10.488,1051 13.697,1052 4.464,1053 20.925,1054 10.102,1055 2.75,1056 10.096,1057 19.152,1058 -3.23,1059 11.635,1060 15.239,1061 5.111,1062 23.259,1063 11.22,1064 2.485,1065 7.869,1066 20.956,1067 4.493,1068 12.659,1069 16.654,1070 5.504,1071 25.508,1072 12.209,1073 2.088,1074 7.214,1075 22.771,1076 3.721,1077 13.774,1078 18.164,1079 6.091,1080 27.822,1081 13.297,1082 1.741,1083 5.769,1084 24.593,1085 3.234,1086 14.837,1087 19.622,1088 6.531,1089 30.104,1090 14.33,1091 1.599,1092 5.044,1093 26.423,1094 2.723,1095 15.942,1096 21.121,1097 7.083,1098 32.413,1099 15.408,1100 1.361,1101 4.314,1102 28.258,1103 2.436,1104 17.027,1105 22.6,1106 7.551,1107 34.711,1108 16.464,1109 3990,1110 6849,1111 14.622,1112 23.932,1113 33.541,1114 33.806,1115 34.087,1116 32.97,1117 32.931,1118 45.417,1119 3.806,1120 94.228,1121 31.396,1122 5.407,1123 5.564,1124 5.784,1125 5.121,1126 5.068,1127 7.493,1128 2.912,1129 16.728,1130 4.973,1131 9.513,1132 1.525,1133 1.537,1134 1.549,1135 1.499,1136 1.497,1137 2.064,1138 0.173,1139 4.283,1140 1.427,1141 4.129,1142 4.166,1143 4.209,1144 4.037,1145 7.431,1146 4.045,1147 3.86,1148 3.888,1149 4.083,1150 3.817,1151 4.942,1152 3.761,1153 3.563,1154 3.621,1155 3.514,1156 3.367,1157 4.824,1158 3.387,1159 3.3,1160 3.36,1161 3.209,1162 3.05,1163 4.346,1164 3.081,1165 3.078,1166 3.158,1167 3.004,1168 2.928,1169 3.939,1170 2.913,1171 2.987,1172 3.067,1173 2.909,1174 2.834,1175 3.84,1176 2.778,1177 2.77,1178 2.849,1179 2.6,1180 2.59,1181 3.671,1182 2.569,1183 2.447,1184 2.554,1185 2.413,1186 2.274,1187 3.541,1188 2.262,1189 0.206,1190 0.162,1191 0.295,1192 0.183,1193 0.139,1194 4.535,1195 0.204,1196 3.564,1197 0.075,1198 6.49,1199 0.459,1200 4.036,1201 0.135,1202 3.068,1203 4.493,1204 1.656,1205 10.096,1206 2.973,1207 1.94,1208 1.915,1209 2.022,1210 2.04,1211 1.168,1212 2.036,1213 1.587,1214 1.542,1215 1.776,1216 1.804,1217 0.861,1218 1.794,1219 1.567,1220 1.503,1221 1.767,1222 1.739,1223 0.836,1224 1.749,1225 1.374,1226 1.332,1227 1.482,1228 1.62,1229 0.547,1230 1.607,1231 1.159,1232 1.115,1233 1.401,1234 1.321,1235 0.479,1236 1.358,1237 0.983,1238 0.932,1239 1.193,1240 1.194,1241 0.248,1242 1.224,1243 0.698,1244 0.648,1245 1.022,1246 0.936,1247 0.092,1248 0.964,1249 0.676,1250 0.59,1251 0.941,1252 0.911,1254 0.954,1255 3.807,1257 5.13,1258 3.045,1259 6.616,1260 5.352,1261 8.18,1262 7.368,1263 9.79,1265 3.886,1272 5.586,1280 22.622,1281 58.368,1282 126.345,1283 147.854,1284 161.464,1285 163.464,1286 163.464,1287 23.694,1288 6.592,1289 58.95,1290 87.19,1291 16,1292 12.122,1293 4.087,1294 3.248,1295 30.197,1296 67,1297 60,1298 0.224,1299 144.696,1300 233.8,1301 344.817,1302 5803,1304 14.113,1305 0.706,1306 0.6,1307 14.466,1308 11.992,1309 9.614,1310 0.437,1311 0.316,1312 6.156,1313 8.782,1314 5.87,1315 4.926,1316 10.068,1317 6.954,1318 9.018,1319 0.291,1320 0.175,1321 9.596,1322 5.417,1323 7.148,1324 0.183,1325 0.098,1326 7.849,1327 3.804,1328 6.144,1329 0.12,1330 0.053,1331 6.866,1332 2.713,1333 4.172,1334 0.079,1335 0.028,1336 4.601,1337 1.462,1338 0.353,1339 64.734,1340 0.262,1341 20.158,1342 0.603,1343 106,1344 312.552,1345 139.129,1346 328.437,1347 451.19,1348 306,1349 123,1350 322.984,1351 151.89,1352 346.934,1353 497.72,1354 324,1355 5} {0 CHEMBL323603,1 1.345,2 13.258,3 4.698,4 22.072,5 127.922,6 6.279,7 0.286,8 4.279,9 4.422,10 3.715,11 3.809,12 5.148,13 3.753,14 4.905,15 5.115,16 4.084,17 4.272,18 5.716,19 4.178,20 5.223,21 5.481,22 4.09,23 4.443,24 5.953,25 4.296,26 5.283,27 5.56,28 4,29 4.401,30 6.065,31 4.234,32 5.197,33 5.488,34 3.973,35 4.294,36 5.972,37 4.146,38 5.037,39 5.276,40 3.975,41 4.284,42 5.84,43 4.153,44 5.122,45 5.389,46 3.848,47 4.289,48 5.866,49 4.117,50 5.084,51 5.384,52 3.676,53 4.161,54 5.764,55 3.961,56 0.081,57 1.001,58 16.607,59 6.444,60 8.761,61 9.542,62 0.347,63 1.705,64 31.354,65 11.305,66 24.169,67 17.074,68 0.311,69 2.111,70 42.459,71 15.506,72 27.528,73 23.328,74 0.382,75 2.098,76 45.219,77 15.932,78 45.326,79 23.954,80 0.418,81 1.888,82 41.587,83 14.237,84 45.678,85 21.444,86 0.28,87 1.782,88 35.479,89 12.782,90 31.424,91 19.146,92 0.295,93 1.853,94 38.293,95 13.839,96 35.774,97 20.889,98 0.294,99 1.669,100 36.523,101 13.437,102 33.376,103 20.135,104 5,105 49,106 0.214,107 0.526,108 0.746,109 0.842,110 0.868,111 0.868,112 3.472,113 1.048,114 -4.46,115 -4.39,116 -4.13,119 38.8,121 9,124 1,125 3,127 2,134 1,135 1,140 3,141 3,149 1,150 1,157 1,169 14,171 1,172 5,174 2,176 5,178 16,182 2,186 5,189 15,193 8,197 4,199 10,203 8,206 1,208 3,211 6,215 7,220 4,222 9,226 5,231 2,233 10,237 5,240 1,242 2,244 10,249 1,254 1,256 9,259 1677,260 21.378,261 21.378,262 21.378,263 21.378,264 21.378,265 19.896,266 23.405,267 12.602,268 21.693,269 17.291,270 17.291,271 17.291,272 17.291,273 17.291,274 14.938,275 27.959,276 6.007,277 17.779,278 4.721,279 2.76,280 1.378,281 0.773,282 0.608,283 0.608,284 4.183,288 1,289 1,290 917,291 3.082,294 163.527,295 298.805,298 134.545,302 2.202,303 18.806,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 65,315 411,316 4.572,317 3.695,318 6.578,319 4.123,320 3.135,321 4.516,322 1.706,323 10.485,324 3.098,325 4.141,326 3.239,327 6.146,328 3.855,329 2.89,330 3.561,331 0.8,332 9.043,333 2.798,334 3.932,335 3.043,336 6.041,337 3.746,338 2.796,339 3.117,340 0.728,341 8.65,342 2.655,343 3.814,344 2.894,345 5.991,346 3.634,347 2.657,348 2.888,349 0.167,350 8.492,351 2.58,352 3.438,353 2.562,354 5.32,355 3.373,356 2.402,357 2.614,359 6.872,360 2.328,361 3.336,362 2.304,363 5.111,364 2.947,365 1.963,366 2.455,368 5.924,369 1.929,370 3.096,371 2.112,372 4.495,373 2.67,374 1.684,375 2.259,377 4.538,378 1.654,379 2.715,380 1.607,381 4.21,382 2.438,383 1.458,384 1.79,386 3.696,387 1.428,388 2.563,389 1.519,390 4.04,391 2.313,392 1.337,393 1.536,395 3.429,396 1.302,397 2.371,398 1.454,399 3.947,400 2.161,401 1.19,402 1.336,404 3.063,405 1.149,406 2.328,407 1.388,408 3.53,409 2.096,410 1.114,411 1.265,413 2.723,414 1.09,415 2.137,416 1.233,417 3.417,418 2.035,419 1.048,420 1.119,422 2.382,423 1.03,424 2.079,425 1.14,426 3.414,427 2,428 1,429 1.039,431 2.275,432 1,433 2.017,434 1,435 3.253,436 1.984,437 1,438 1,440 2.136,441 0.983,442 2,443 0.745,444 3.247,445 1.617,446 0.655,447 0.888,449 1.602,450 0.629,451 14.933,452 0.482,453 0.674,454 0.022,455 31.25,456 1.008,457 11,458 0.355,459 20.25,460 0.653,461 34.164,462 1.102,463 34.867,464 0.52,465 21.362,466 0.689,467 5.36,468 0.173,469 9.81,470 0.316,471 0.056,473 0.321,479 0.853,480 1.438,481 0.958,482 1.186,483 0.569,484 1.093,485 0.847,486 1.112,487 1.03,488 1.041,489 0.495,490 1.042,491 0.962,492 1.086,493 1.053,494 1.079,495 0.774,496 1.07,497 1.226,498 1.046,499 1.051,500 1.042,501 1.435,502 1.036,503 1.322,504 0.818,505 0.869,506 0.78,507 1.657,508 0.789,509 1.228,510 1.17,511 1.112,512 1.117,513 1.276,514 1.108,515 1.024,516 1.123,517 1.144,518 1.146,519 0.877,520 1.151,521 0.783,522 0.972,523 0.945,524 1.007,525 0.825,526 0.995,527 5.5,528 0.096,529 3.778,530 1.736,531 1.217,532 1.056,533 0.566,534 0.299,535 0.341,536 0.192,537 15099,538 26321,539 2.18,540 53.7,541 6,542 15,543 1,545 2,547 12,550 1.733,551 2.09,552 3.677,553 0.129,559 90.099,560 1.345,561 3.306,562 4.688,563 5.293,564 5.458,565 5.458,566 3.155,567 4.543,568 4.923,569 3.878,570 1803.32,571 8.578,572 26473,577 406.428,578 1.215,579 4.907,580 0.157,581 0.004,582 0.077,583 0.037,584 0.03,585 0.025,586 0.013,587 0.009,588 0.012,589 0.007,590 0.371,591 0.33,592 0.88,593 0.415,594 163.44,595 0.012,596 -0.144,597 0.077,598 -0.016,599 0.023,600 0.027,601 0.143,602 0.07,603 -0.004,604 0.021,605 0.115,606 -0.001,607 -0.064,608 -0.039,609 -0.064,610 -0.059,611 -0.005,612 -0.059,613 -0.077,614 -0.069,615 -0.055,616 -0.06,617 -0.071,618 -0.056,619 -0.029,620 0.129,621 0.136,622 0.173,623 -0.082,624 0.169,625 -0.113,626 -0.099,627 -0.101,628 -0.085,629 -0.09,630 -0.092,631 -0.104,632 -0.102,633 -0.159,634 -0.142,635 -0.027,636 -0.152,637 0.043,638 -0.041,639 0.015,640 -0.031,641 0.021,642 -0.014,643 1.55,644 5.663,645 0.839,646 36.37,647 0.983,648 1.132,649 3.228,650 10.421,651 0.637,652 3.584,653 3.912,654 4.205,655 4.454,656 4.644,657 4.754,658 4.942,659 5.081,660 5.193,661 5.333,662 7.803,663 0.586,664 420.66,665 3.584,666 5.13,667 5.989,668 6.864,669 7.736,670 8.616,671 9.493,672 10.377,673 11.258,674 12.144,675 6,678 1,682 2,683 1,687 2,688 4,690 1,693 2,695 10,714 67,716 12,717 1,718 35,720 71,721 26,722 8,723 3,724 3,725 2,730 5,731 6,735 1,740 10,743 11,745 11,746 15,750 2,755 1,757 1,759 2,764 36,765 4,766 2,767 5,773 4,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,823 1,827 31,833 12,834 1,837 2,838 2,847 1.5,850 1,854 14.833,855 11.9,856 6.722,857 4.582,858 2.455,859 1.298,860 1,861 6.379,862 10.685,863 3.761,864 4.294,865 4.841,866 5.385,867 5.869,868 6.272,869 6.731,870 7.112,871 7.283,872 7.604,873 0.889,874 47,875 11.596,877 4.994,878 7.392,879 23.477,881 20.583,883 1.892,884 58.667,888 400.217,889 103.026,890 41.045,892 25.145,895 103.026,896 425.362,897 41.045,898 8.396,899 50.263,900 46.952,901 25.145,902 32.04,903 18.191,904 388.446,906 400.217,907 144.071,908 25.145,911 258.964,912 166.398,915 70.173,916 64.422,917 9.476,919 400.217,920 66.19,921 103.026,924 400.217,925 47.678,926 61.597,927 34.796,928 25.145,929 400.217,930 66.19,931 103.026,933 0.583,934 0.344,935 0.182,936 0.092,937 25,938 10,939 0.056,940 4,941 1,942 1.077,943 4.408,944 282.154,945 0.077,946 26,947 147.58,951 21.087,952 9.378,953 4.704,954 2.584,955 49.404,956 9.01,958 3.469,961 2.737,963 34.796,964 569.434,965 42,970 12.663,972 2.252,974 1.486,975 65.872,976 75.846,977 0.222,978 0.545,979 0.773,980 0.873,981 0.9,982 0.9,983 5.027,984 1.458,985 5.964,986 4.538,987 4.595,988 4.98,989 2.072,990 6.763,991 4.542,992 6.19,993 1.337,994 7.514,995 3.696,996 4.111,997 4.758,998 1.404,999 7.618,1000 4.021,1001 7.482,1002 1.19,1003 9.163,1004 3.429,1005 6.18,1006 7.095,1007 2.586,1008 10.709,1009 6.072,1010 8.809,1011 1.114,1012 10.87,1013 3.063,1014 6.553,1015 7.796,1016 2.512,1017 12.404,1018 6.409,1019 10.173,1020 1.048,1021 12.615,1022 2.723,1023 8.048,1024 9.608,1025 3.421,1026 14.979,1027 7.891,1028 11.563,1029 1,1030 14.386,1031 2.382,1032 8.807,1033 10.739,1034 3.634,1035 17.014,1036 8.619,1037 12.973,1038 1,1039 16.174,1040 2.275,1041 10.068,1042 12.356,1043 4.385,1044 19.412,1045 9.867,1046 3.135,1047 0.655,1048 17.975,1049 2.136,1050 11.007,1051 13.69,1052 4.744,1053 21.597,1054 10.783,1055 2.89,1056 10.485,1057 19.786,1058 1.602,1059 12.171,1060 15.233,1061 5.402,1062 23.935,1063 11.934,1064 2.796,1065 9.043,1066 21.604,1067 4.516,1068 13.196,1069 16.66,1070 5.84,1071 26.191,1072 12.941,1073 2.657,1074 8.65,1075 23.428,1076 3.561,1077 14.322,1078 18.177,1079 6.444,1080 28.513,1081 14.056,1082 2.402,1083 8.492,1084 25.257,1085 3.117,1086 15.39,1087 19.646,1088 6.926,1089 30.804,1090 15.109,1091 1.963,1092 6.872,1093 27.09,1094 2.888,1095 16.503,1096 21.154,1097 7.499,1098 33.125,1099 16.212,1100 1.684,1101 5.924,1102 28.927,1103 2.614,1104 17.593,1105 22.643,1106 8.004,1107 35.436,1108 17.291,1109 13861,1110 18437,1111 24.156,1112 42.66,1113 53.08,1114 53.841,1115 53.481,1116 52.673,1117 52.66,1118 62.766,1119 6.803,1120 150.621,1121 51.306,1122 5.572,1123 5.695,1124 6.38,1125 5.159,1126 5.135,1127 7.516,1128 2.981,1129 17.275,1130 5.098,1131 10.546,1132 1.517,1133 1.538,1134 1.528,1135 1.505,1136 1.505,1137 1.793,1138 0.194,1139 4.303,1140 1.466,1141 4.153,1142 4.187,1143 4.108,1144 4.077,1145 7.429,1146 4.081,1147 3.904,1148 3.963,1149 3.806,1150 3.764,1151 4.966,1152 3.761,1153 3.862,1154 3.925,1155 3.742,1156 3.731,1157 4.483,1158 3.725,1159 3.798,1160 3.857,1161 3.677,1162 3.661,1163 4.378,1164 3.659,1165 3.462,1166 3.51,1167 3.389,1168 3.297,1169 4.309,1170 3.307,1171 3.301,1172 3.366,1173 3.175,1174 3.108,1175 4.138,1176 3.122,1177 3.137,1178 3.249,1179 2.958,1180 2.942,1181 3.827,1182 2.935,1183 3.12,1184 3.206,1185 2.874,1186 2.941,1187 3.774,1188 2.91,1189 0.131,1190 0.106,1191 0.188,1192 0.118,1193 0.09,1194 4.572,1195 0.129,1196 3.695,1197 0.049,1198 6.578,1199 0.3,1200 4.123,1201 0.089,1202 3.135,1203 4.516,1204 1.706,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.099,1210 2.082,1211 1.476,1212 2.088,1213 1.872,1214 1.816,1215 2.083,1216 2.027,1217 1.345,1218 2.048,1219 1.758,1220 1.712,1221 1.935,1222 1.911,1223 1.285,1224 1.92,1225 1.684,1226 1.628,1227 1.869,1228 1.872,1229 1.143,1230 1.873,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.056,1236 1.795,1237 1.408,1238 1.336,1239 1.627,1240 1.636,1241 0.825,1242 1.637,1243 1.291,1244 1.234,1245 1.527,1246 1.549,1247 0.82,1248 1.542,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.749,1254 1.429,1255 4.263,1257 5.587,1258 3.045,1259 7.099,1260 5.352,1261 8.691,1262 7.38,1263 10.324,1265 2.251,1271 13.455,1272 3.259,1275 1.035,1276 4.466,1280 39.229,1281 90.099,1282 221.531,1283 314.105,1284 354.654,1285 365.673,1286 365.673,1287 46.884,1288 8.231,1289 51.37,1290 51.37,1291 28,1292 12.677,1293 3.7,1294 3,1295 43.872,1296 145,1297 146,1298 0.145,1299 236.813,1300 411.71,1301 569.585,1302 49201,1304 21.209,1305 0.684,1306 0.607,1307 21.209,1308 18.829,1309 15.17,1310 0.433,1311 0.349,1312 12.11,1313 14.765,1314 11.838,1315 9.77,1316 15.17,1317 12.223,1318 13.63,1319 0.278,1320 0.199,1321 13.63,1322 9.765,1323 11.965,1324 0.181,1325 0.117,1326 11.965,1327 7.694,1328 9.889,1329 0.116,1330 0.067,1331 9.889,1332 5.667,1333 7.618,1334 0.074,1335 0.038,1336 7.618,1337 3.866,1338 0.234,1339 93.693,1340 0.203,1341 29.601,1342 0.383,1343 168,1344 349.691,1345 178.651,1346 344.584,1347 484.81,1348 326,1349 199,1350 365.51,1351 210.152,1352 373.272,1353 549.45,1354 353,1355 8.523} {0 CHEMBL323666,1 1.481,2 13.4,3 5.644,4 31.856,5 143.933,6 7.359,7 0.525,8 4.286,9 4.396,10 3.983,11 3.916,12 5.23,13 3.854,14 4.877,15 5.045,16 4.331,17 4.365,18 5.945,19 4.282,20 5.159,21 5.358,22 4.415,23 4.56,24 6.072,25 4.428,26 5.288,27 5.502,28 4.365,29 4.558,30 6.302,31 4.416,32 5.26,33 5.504,34 4.267,35 4.464,36 6.239,37 4.334,38 5.123,39 5.346,40 4.171,41 4.412,42 6.039,43 4.28,44 5.123,45 5.366,46 4.038,47 4.373,48 5.976,49 4.207,50 5.054,51 5.324,52 3.892,53 4.228,54 5.88,55 4.049,56 0.107,57 0.96,58 17.181,59 6.703,60 14.867,61 8.588,62 0.39,63 1.668,64 29.183,65 11.495,66 50.49,67 15.209,68 0.239,69 2.14,70 44.364,71 17.351,72 32.529,73 21.934,74 0.4,75 2.293,76 51.085,77 19.305,78 77.758,79 24.138,80 0.441,81 2.195,82 48.538,83 18.013,84 79.274,85 23.494,86 0.309,87 1.994,88 39.115,89 15.121,90 50.262,91 20.294,92 0.286,93 1.994,94 40.536,95 15.585,96 46.317,97 21.1,98 0.307,99 1.784,100 38.805,101 14.995,102 47.955,103 20.333,104 10,105 59,106 0.231,107 0.556,108 0.766,109 0.863,110 0.886,111 0.895,112 3.589,113 1.044,114 -4.87,115 -4.78,116 -4.48,119 43.9,121 4,124 1,125 3,127 1,134 1,135 1,140 10,141 5,142 1,149 1,150 1,169 19,171 3,172 5,176 3,178 23,182 8,186 3,189 22,193 15,197 1,199 15,203 14,206 1,208 2,211 12,215 9,220 3,222 13,226 7,233 15,237 7,240 1,244 16,249 2,256 16,259 2112,260 23.927,261 23.927,262 23.927,263 23.927,264 23.927,265 21.049,266 19.906,267 13.762,268 24.285,269 19.738,270 19.738,271 19.738,272 19.738,273 19.738,274 15.295,275 20.906,276 6.476,277 20.331,278 4.564,279 2.486,280 1.144,281 0.519,282 0.375,283 0.314,284 4.306,289 1,290 1060,291 3.536,294 181.374,295 391.39,298 148.446,299 164.161,302 2.103,303 31.016,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 73.5,315 469,316 4.983,317 4.745,318 7.733,319 4.487,320 3.56,321 4.876,322 0.8,323 13.971,324 3.279,325 4.572,326 3.241,327 6.578,328 4.121,329 3.133,330 4.516,331 0.657,332 10.485,333 3.096,334 4.321,335 3.06,336 6.389,337 3.85,338 2.862,339 4.167,341 9.602,342 2.832,343 4.101,344 2.94,345 6.111,346 3.778,347 2.81,348 3.55,350 8.942,351 2.735,352 3.817,353 2.817,354 6.021,355 3.664,356 2.686,357 2.892,359 8.56,360 2.602,361 3.367,362 2.427,363 5.425,364 3.011,365 2.047,366 2.636,368 6.222,369 1.972,370 3.295,371 2.13,372 5.111,373 2.902,374 1.931,375 2.599,377 5.916,378 1.866,379 3.128,380 1.709,381 4.609,382 2.623,383 1.632,384 2.427,386 4.684,387 1.618,388 3.118,389 1.618,390 4.383,391 2.618,392 1.618,393 2.335,395 3.987,396 1.616,397 2.773,398 1.505,399 4.188,400 2.331,401 1.362,402 1.897,404 3.641,405 1.317,406 2.742,407 1.454,408 4.018,409 2.277,410 1.299,411 1.821,413 3.47,414 1.271,415 2.622,416 1.373,417 3.953,418 2.231,419 1.247,420 1.597,422 3.041,423 1.22,424 2.337,425 1.256,426 3.587,427 2.115,428 1.142,429 1.314,431 2.784,432 1.108,433 2.228,434 1.229,435 3.417,436 2.058,437 1.078,438 1.121,440 2.383,441 1.054,442 2.138,443 1.139,444 3.414,445 1.984,446 1,447 1.072,449 2.275,450 0.983,451 17.2,452 0.491,453 0.927,454 0.026,455 44.75,456 1.279,457 22.5,458 0.643,459 22.25,460 0.636,461 33.15,462 0.947,463 36.8,464 0.558,465 35.333,466 1.01,467 8.319,468 0.238,469 8.684,470 0.248,471 0.068,472 0.048,473 0.308,479 0.539,480 1.264,481 0.838,482 1.136,483 0.626,484 0.947,485 0.771,486 0.971,487 0.862,488 0.855,489 0.529,490 0.892,491 0.882,492 1.082,493 1.183,494 1.161,495 0.725,496 1.05,497 1.411,498 1.098,499 1.2,500 1.149,501 1.571,502 1.083,503 1.296,504 0.928,505 0.923,506 0.899,507 1.434,508 0.882,509 1.113,510 1.084,511 0.976,512 0.995,513 1.036,514 1.063,515 0.874,516 1.068,517 1.056,518 1.072,519 0.672,520 1.129,521 0.828,522 0.915,523 0.87,524 0.921,525 0.848,526 0.972,527 7,528 0.188,529 5.556,530 2.986,531 1.839,532 1.403,533 0.787,534 0.444,535 0.399,536 0.282,537 20456,538 43820,539 2.184,540 47,542 21,543 1,545 1,547 8,550 1.764,551 2.069,552 3.683,553 -0.43,559 97.714,560 1.481,561 3.559,562 4.901,563 5.525,564 5.669,565 5.73,566 3.134,567 4.822,568 5.103,569 3.899,570 2320,571 8.94,572 36349.1,577 398.93,578 1.437,579 5.068,580 0.175,581 0.005,582 0.094,583 0.049,584 0.033,585 0.026,586 0.016,587 0.011,588 0.011,589 0.008,590 0.429,591 0.17,592 0.75,593 0.45,594 190.043,595 0.15,596 -0.121,597 0.209,598 -0.044,599 -0.113,600 0.039,601 0.211,602 0.14,603 0.071,604 0.111,605 0.238,606 0.056,607 -0.033,608 -0.033,609 -0.052,610 -0.066,611 0.047,612 -0.049,613 -0.112,614 -0.116,615 -0.103,616 -0.101,617 -0.064,618 -0.1,619 -0.037,620 0.026,621 0.06,622 0.067,623 -0.028,624 0.093,625 -0.114,626 -0.084,627 -0.09,628 -0.068,629 -0.078,630 -0.099,631 -0.083,632 -0.073,633 -0.131,634 -0.12,635 -0.008,636 -0.148,637 0.022,638 0.017,639 0.051,640 0.027,641 0.006,642 0.025,643 4.483,644 6.509,645 0.857,646 38.144,647 0.991,648 1.116,649 3.641,650 13.254,651 0.685,652 3.714,653 4.094,654 4.431,655 4.71,656 4.927,657 5.043,658 5.242,659 5.366,660 5.489,661 5.624,662 8.005,663 0.637,664 485.7,665 3.714,666 5.293,667 6.18,668 7.086,669 7.986,670 8.895,671 9.799,672 10.709,673 11.616,674 12.527,675 4.5,678 2,683 1,687 4,688 11,690 1,693 3,695 21,714 66,716 24,717 3,718 40,720 71,721 29,722 18,723 6,724 10,725 2,730 6,731 8,740 4,743 5,745 20,746 9,750 3,753 1,755 2,757 1,759 1,764 31,765 4,766 1,767 6,768 1,773 3,777 0.667,778 2,788 1,789 1,792 2,793 4,796 1,797 1,810 1,811 1,815 1,819 4,821 1,823 1,827 35,830 1,833 7,837 1,838 2,847 3,850 2,854 16.917,855 11.983,856 7.417,857 4.156,858 4.623,859 1.519,860 1.051,861 5.859,862 13.528,863 3.998,864 4.67,865 5.299,866 5.91,867 6.465,868 6.82,869 7.281,870 7.644,871 7.898,872 8.125,873 0.889,874 61,875 13.285,877 6.084,878 7.574,879 25.818,881 22.852,883 2.074,884 72.583,888 353.133,889 164.916,890 21.428,892 44.313,894 5.807,895 159.108,896 397.446,897 21.428,898 8.396,899 16.455,900 119.094,901 44.313,902 40.255,903 13.915,904 341.362,906 353.133,907 180.537,908 44.313,909 5.807,911 258.964,912 138.482,915 37.884,916 133.177,917 15.284,919 353.133,920 65.741,921 164.916,923 5.807,924 353.133,925 37.426,926 126.325,927 16.786,928 44.313,929 353.133,930 65.741,931 164.916,933 0.596,934 0.363,935 0.195,936 0.1,937 32,938 13,939 0.07,940 5,941 2,942 1.133,943 4.595,944 352.902,945 0.133,946 30,947 175.525,950 1,951 22.694,952 9.036,953 4.151,954 4.18,955 48.956,956 21.952,958 3.441,961 2.959,963 16.786,964 583.79,965 53.5,968 -3.566,970 27.018,972 2.088,974 1.224,975 65.407,976 73.647,977 0.245,978 0.589,979 0.811,980 0.914,981 0.938,982 0.948,983 5.269,984 1.632,985 6.201,986 5.916,987 4.779,988 5.359,989 1.038,990 7.094,991 4.719,992 6.512,993 1.618,994 7.817,995 4.684,996 4.511,997 5.414,998 0.325,999 8.316,1000 4.38,1001 7.87,1002 1.362,1003 9.549,1004 3.987,1005 6.485,1006 7.718,1007 0.607,1008 11.429,1009 6.345,1010 9.273,1011 1.299,1012 11.355,1013 3.641,1014 7.083,1015 8.646,1016 0.268,1017 13.528,1018 6.854,1019 10.718,1020 1.247,1021 13.21,1022 3.47,1023 8.544,1024 10.456,1025 0.359,1026 16.246,1027 8.296,1028 12.19,1029 1.142,1030 15.101,1031 3.041,1032 9.507,1033 11.746,1034 0.188,1035 18.671,1036 9.167,1037 13.685,1038 1.078,1039 17.019,1040 2.784,1041 10.796,1042 13.386,1043 0.214,1044 21.302,1045 10.417,1046 3.56,1047 1,1048 18.959,1049 2.383,1050 11.914,1051 14.827,1052 0.125,1053 23.851,1054 11.444,1055 3.133,1056 13.971,1057 20.915,1058 2.275,1059 13.152,1060 16.407,1061 0.129,1062 26.472,1063 12.623,1064 2.862,1065 10.485,1066 22.885,1067 4.876,1068 14.336,1069 17.912,1070 0.082,1071 29.071,1072 13.719,1073 2.81,1074 9.602,1075 24.868,1076 4.516,1077 15.567,1078 19.473,1079 0.079,1080 31.696,1081 14.876,1082 2.686,1083 8.942,1084 26.861,1085 4.167,1086 16.783,1087 21.007,1088 0.054,1089 34.315,1090 16.003,1091 2.047,1092 8.56,1093 28.862,1094 3.55,1095 18.018,1096 22.565,1097 0.048,1098 36.945,1099 17.157,1100 1.931,1101 6.222,1102 30.87,1103 2.892,1104 19.251,1105 24.113,1106 0.035,1107 39.573,1108 18.3,1109 18490,1110 27329,1111 27.334,1112 45.233,1113 61.809,1114 62.47,1115 62.736,1116 61.607,1117 61.561,1118 81.494,1119 2.915,1120 186.606,1121 59.823,1122 5.922,1123 6.745,1124 7.422,1125 5.547,1126 5.56,1127 7.876,1128 1.457,1129 22.352,1130 5.279,1131 13.584,1132 1.545,1133 1.562,1134 1.568,1135 1.54,1136 1.539,1137 2.037,1138 0.073,1139 4.665,1140 1.496,1141 4.194,1142 4.208,1143 4.749,1144 4.169,1145 7.715,1146 4.124,1147 4.122,1148 4.135,1149 4.103,1150 4.063,1151 6.999,1152 4.058,1153 3.893,1154 3.933,1155 3.944,1156 3.809,1157 4.968,1158 3.77,1159 3.843,1160 3.894,1161 3.74,1162 3.705,1163 4.874,1164 3.693,1165 3.644,1166 3.637,1167 3.649,1168 3.581,1169 4.472,1170 3.536,1171 3.412,1172 3.458,1173 3.317,1174 3.324,1175 4.371,1176 3.307,1177 3.328,1178 3.361,1179 3.238,1180 3.227,1181 4.316,1182 3.204,1183 3.136,1184 3.249,1185 2.956,1186 2.935,1187 4.13,1188 2.928,1189 0.125,1190 0.119,1191 0.193,1192 0.112,1193 0.089,1194 4.983,1195 0.122,1196 4.745,1197 0.02,1198 7.733,1199 0.349,1200 4.487,1201 0.082,1202 3.56,1203 4.876,1204 0.8,1205 13.971,1206 3.279,1207 2.104,1208 2.102,1209 2.145,1210 2.151,1211 1.383,1212 2.178,1213 1.993,1214 1.972,1215 2.085,1216 2.065,1217 1.324,1218 2.075,1219 1.782,1220 1.759,1221 1.93,1222 1.916,1223 1.27,1224 1.934,1225 1.694,1226 1.646,1227 1.863,1228 1.873,1229 1.144,1230 1.879,1231 1.556,1232 1.522,1233 1.823,1234 1.767,1235 1.061,1236 1.795,1237 1.533,1238 1.48,1239 1.657,1240 1.65,1241 0.784,1242 1.677,1243 1.408,1244 1.343,1245 1.627,1246 1.61,1247 0.748,1248 1.629,1249 1.335,1250 1.324,1251 1.434,1252 1.462,1253 0.686,1254 1.502,1255 4.394,1257 5.759,1258 3.045,1259 7.323,1260 5.352,1261 8.975,1262 7.38,1263 10.672,1265 2.225,1271 6.378,1275 0.611,1276 4.075,1280 42.056,1281 97.714,1282 234.878,1283 323.446,1284 364.665,1285 374.175,1286 378.175,1287 60.619,1288 8.904,1289 56.41,1290 64.79,1291 34,1292 13.042,1293 4.644,1294 3.858,1295 47.282,1296 172,1297 142,1298 0.134,1299 254.82,1300 435.19,1301 613.522,1302 113261,1304 23.993,1305 0.686,1306 0.597,1307 24.243,1308 20.891,1309 17.003,1310 0.425,1311 0.348,1312 12.5,1313 15.854,1314 12.067,1315 9.939,1316 17.792,1317 13.921,1318 15.917,1319 0.27,1320 0.2,1321 17.218,1322 11.781,1323 14.268,1324 0.172,1325 0.117,1326 15.596,1327 9.728,1328 12.062,1329 0.11,1330 0.067,1331 13.291,1332 7.324,1333 9.557,1334 0.07,1335 0.037,1336 10.654,1337 5.127,1338 0.214,1339 112.572,1340 0.191,1341 32.335,1342 0.358,1343 198,1344 463.955,1345 248.412,1346 480.515,1347 675.12,1348 448,1349 241,1350 484.118,1351 301.674,1352 534.55,1353 789.92,1354 504,1355 9.056} {0 CHEMBL323705,1 1.321,2 13.6,3 5.882,4 34.597,5 150.515,6 6.517,7 0.244,8 4.402,9 4.542,10 3.886,11 3.986,12 5.207,13 3.916,14 5.061,15 5.259,16 4.337,17 4.499,18 5.792,19 4.4,20 5.43,21 5.674,22 4.359,23 4.728,24 6.091,25 4.555,26 5.533,27 5.828,28 4.285,29 4.694,30 6.162,31 4.467,32 5.345,33 5.634,34 4.217,35 4.545,36 6.023,37 4.339,38 5.188,39 5.433,40 4.229,41 4.5,42 5.904,43 4.329,44 5.268,45 5.53,46 4.074,47 4.505,48 5.956,49 4.305,50 5.221,51 5.511,52 3.91,53 4.389,54 5.832,55 4.168,56 0.098,57 1.122,58 18.642,59 7.577,60 9.694,61 10.983,62 0.284,63 2.056,64 37.413,65 13.771,66 20.246,67 20.516,68 0.333,69 2.75,70 54.466,71 21.115,72 27.362,73 30.183,74 0.371,75 2.865,76 64.31,77 24.16,78 37.747,79 33.423,80 0.395,81 2.457,82 57.712,83 20.216,84 36.375,85 27.201,86 0.263,87 2.184,88 45.612,89 17.139,90 27.105,91 23.729,92 0.321,93 2.3,94 50.051,95 18.282,96 33.339,97 25.382,98 0.278,99 2.08,100 44.93,101 17.575,102 26.993,103 24.678,104 5,105 62,106 0.205,107 0.515,108 0.736,109 0.822,110 0.822,111 0.822,112 3.588,113 1.062,114 -5.63,115 -5.5,116 -5.13,119 40,121 10,122 3,124 1,125 3,127 1,129 1,134 1,135 1,140 3,141 3,149 1,150 1,157 1,169 19,172 5,174 1,176 6,178 27,182 2,186 6,189 22,193 5,197 6,199 13,203 6,206 1,208 3,211 6,215 7,220 4,222 11,226 3,231 2,233 13,237 3,240 1,242 2,244 16,254 1,256 14,259 2151,260 24.013,261 24.013,262 24.013,263 24.013,264 24.013,265 22.532,266 24.927,267 13.631,268 24.416,269 20.296,270 20.296,271 20.296,272 20.296,273 20.296,274 17.949,275 35.259,276 6.536,277 20.972,278 4.908,279 2.901,280 1.474,281 0.917,282 0.917,283 0.917,284 4.319,289 1,290 1109,291 3.674,294 184.664,295 618.683,297 414.823,298 151.762,302 2.263,303 15.349,306 0.75,307 0.67,308 1,309 1,310 0.5,311 1,312 1,313 0.85,314 72,315 476,316 4.572,317 3.932,318 7.29,319 4.439,320 3.462,321 4.516,322 1.807,323 13.121,324 3.388,325 4.472,326 3.451,327 6.578,328 4.123,329 3.135,330 3.565,331 0.8,332 10.485,333 3.098,334 4.131,335 3.239,336 6.138,337 3.829,338 2.867,339 3.489,340 0.733,341 9.022,342 2.78,343 3.868,344 3.046,345 6.033,346 3.717,347 2.778,348 3.021,349 0.167,350 8.605,351 2.621,352 3.81,353 2.9,354 5.965,355 3.597,356 2.632,357 2.886,359 8.414,360 2.543,361 3.508,362 2.563,363 5.646,364 3.434,365 2.475,366 2.613,368 7.812,369 2.327,370 3.34,371 2.375,372 5.111,373 3,374 2,375 2.515,377 6.076,378 2,379 3.098,380 2.121,381 5.061,382 3,383 2,384 2.274,386 6.076,387 2,388 3,389 2,390 5.061,391 2.943,392 1.963,393 2,395 5.925,396 1.921,397 3,398 2,399 4.516,400 2.608,401 1.652,402 2,404 4.566,405 1.573,406 2.712,407 1.617,408 4.232,409 2.315,410 1.345,411 1.788,413 3.691,414 1.303,415 2.501,416 1.454,417 4.115,418 2.159,419 1.227,420 1.421,422 3.336,423 1.14,424 2.334,425 1.391,426 3.956,427 2.093,428 1.128,429 1.302,431 3.001,432 1.084,433 2.137,434 1.233,435 3.417,436 2.026,437 1.066,438 1.12,440 2.383,441 1.013,442 2.079,443 1.14,444 3.414,445 1.984,446 1,447 1.039,449 2.275,450 0.983,451 17.433,452 0.498,453 0.982,454 0.028,455 33.5,456 0.957,457 10.5,458 0.3,459 23,460 0.657,461 45.109,462 1.289,463 38.367,464 0.512,465 21.033,466 0.601,467 5.134,468 0.147,469 11.899,470 0.34,471 0.076,472 0.029,473 0.333,479 1.061,480 1.28,481 0.82,482 0.997,483 0.781,484 1.015,485 1.176,486 1.119,487 0.856,488 0.958,489 0.6,490 0.992,491 1.157,492 1.121,493 1.037,494 1.078,495 0.917,496 1.15,497 0.895,498 1.001,499 1,500 1.002,501 1.086,502 0.976,503 1.214,504 0.906,505 1.234,506 1.023,507 1.556,508 0.882,509 1.077,510 1.128,511 1.082,512 1.081,513 1.15,514 1.043,515 1.322,516 1.092,517 1.284,518 1.172,519 1.391,520 1.135,521 0.769,522 0.994,523 0.952,524 1.013,525 0.884,526 1.038,527 9,528 0.171,529 4,530 2.986,531 1.439,532 1.181,533 0.751,534 0.484,535 0.393,536 0.212,537 22551,538 36221,539 2.253,540 53.3,541 9,542 14,543 1,545 2,547 14,550 1.762,551 2.154,552 3.703,553 0.077,559 99.078,560 1.321,561 3.328,562 4.755,563 5.312,564 5.312,565 5.312,566 3.125,567 4.529,568 5.104,569 3.953,570 2351.86,571 8.928,572 37570.5,577 467.161,578 1.373,579 5.076,580 0.22,581 0.005,582 0.065,583 0.051,584 0.029,585 0.025,586 0.015,587 0.012,588 0.011,589 0.007,590 0.439,591 0.17,592 0.63,593 0.383,594 191.27,595 0.052,596 -0.079,597 0.07,598 0.017,599 0.073,600 0.052,601 0.06,602 0.011,603 0.04,604 0.007,605 0.202,606 0.025,607 -0.14,608 -0.085,609 -0.122,610 -0.111,611 -0.049,612 -0.149,613 0.023,614 -0.045,615 0.038,616 0.009,617 0.028,618 0.008,619 -0.011,620 0.114,621 0.018,622 0.081,623 -0.112,624 0.106,625 -0.018,626 -0.077,627 -0.004,628 -0.03,629 -0.01,630 -0.031,631 -0.192,632 -0.056,633 -0.19,634 -0.131,635 -0.161,636 -0.14,637 0.049,638 -0.05,639 -0.021,640 -0.047,641 0.025,642 -0.052,643 0.946,644 2.322,645 0.857,646 39.327,647 0.979,648 1.125,649 4.398,650 19.339,651 0.658,652 3.738,653 4.143,654 4.466,655 4.812,656 5.063,657 5.247,658 5.412,659 5.549,660 5.521,661 5.694,662 8.326,663 0.597,664 488.81,665 3.738,666 5.333,667 6.221,668 7.141,669 8.038,670 8.963,671 9.863,672 10.79,673 11.692,674 12.621,675 5.3,678 1,682 2,683 1,687 2,688 4,690 1,693 2,695 10,714 75,716 12,717 1,718 41,720 81,721 30,722 8,723 3,724 3,725 2,730 7,731 12,735 1,740 10,741 4,743 11,745 11,746 19,747 4,750 2,756 1,757 1,759 2,764 40,765 3,766 2,767 5,768 1,773 4,777 0.571,788 1,789 1,792 2,793 6,795 3,796 1,810 1,811 1,815 1,819 4,821 1,823 1,827 35,833 13,834 1,837 4,838 2,839 1,854 16.25,855 13.317,856 7.222,857 5.103,858 2.438,859 1.264,860 1.015,861 5.788,862 11.678,863 3.892,864 4.457,865 4.988,866 5.546,867 6.013,868 6.41,869 6.832,870 7.197,871 7.343,872 7.668,873 0.889,874 58,875 13.097,877 5.84,878 7.236,879 27.065,881 25.187,883 1.736,884 60.75,888 447.302,889 146.762,890 41.045,894 45.192,895 101.57,896 447.302,897 41.045,898 8.396,899 52.797,900 46.952,902 32.04,903 14.2,904 435.531,905 45.192,906 447.302,907 142.614,909 45.192,911 282.506,912 164.795,915 72.707,916 60.431,917 9.476,918 45.192,919 447.302,920 41.045,921 146.762,924 447.302,925 46.221,926 61.597,927 34.796,928 45.192,929 447.302,930 41.045,931 146.762,933 0.602,934 0.355,935 0.197,936 0.103,937 36,938 14,939 0.049,940 4,941 7,942 1.333,943 4.741,944 357.792,945 0.467,946 26,947 163.26,949 1,951 22.805,952 8.884,953 4.276,954 2.675,955 24.259,956 9.257,958 3.519,961 2.859,963 34.796,964 635.108,965 48,971 5.988,972 2.426,974 2.484,975 73.388,976 84.387,977 0.212,978 0.534,979 0.763,980 0.853,981 0.853,982 0.853,983 5.218,984 2,985 6.248,986 6.076,987 4.828,988 5.145,989 2.15,990 7.13,991 4.77,992 6.41,993 1.963,994 7.848,995 6.076,996 4.575,997 5.027,998 1.494,999 8.267,1000 4.479,1001 7.734,1002 1.652,1003 9.548,1004 5.925,1005 6.529,1006 7.25,1007 2.8,1008 11.345,1009 6.421,1010 9.083,1011 1.345,1012 11.31,1013 4.566,1014 7.074,1015 7.976,1016 2.741,1017 13.33,1018 6.931,1019 10.468,1020 1.227,1021 13.112,1022 3.691,1023 8.531,1024 9.731,1025 3.769,1026 15.988,1027 8.378,1028 11.874,1029 1.128,1030 14.944,1031 3.336,1032 9.434,1033 10.859,1034 4,1035 18.323,1036 9.252,1037 13.299,1038 1.066,1039 16.798,1040 3.001,1041 10.711,1042 12.445,1043 4.853,1044 20.88,1045 10.517,1046 3.462,1047 1,1048 18.671,1049 2.383,1050 11.777,1051 13.768,1052 5.239,1053 23.354,1054 11.561,1055 3.135,1056 13.121,1057 20.559,1058 2.275,1059 12.994,1060 15.293,1061 5.985,1062 25.9,1063 12.764,1064 2.867,1065 10.485,1066 22.46,1067 4.516,1068 14.137,1069 16.71,1070 6.458,1071 28.428,1072 13.887,1073 2.778,1074 9.022,1075 24.372,1076 3.565,1077 15.339,1078 18.215,1079 7.14,1080 30.98,1081 15.074,1082 2.632,1083 8.605,1084 26.293,1085 3.489,1086 16.518,1087 19.677,1088 7.662,1089 33.532,1090 16.235,1091 2.475,1092 8.414,1093 28.222,1094 3.021,1095 17.723,1096 21.178,1097 8.307,1098 36.092,1099 17.422,1100 2,1101 7.812,1102 30.159,1103 2.886,1104 18.921,1105 22.662,1106 8.858,1107 38.653,1108 18.602,1109 19743,1110 25161,1111 28.433,1112 49.376,1113 63.696,1114 65.009,1115 64.677,1116 62.908,1117 62.769,1118 72.874,1119 7.014,1120 192.783,1121 60.802,1122 5.572,1123 5.932,1124 6.809,1125 5.484,1126 5.462,1127 7.516,1128 3.186,1129 19.975,1130 5.388,1131 11.355,1132 1.554,1133 1.586,1134 1.577,1135 1.534,1136 1.531,1137 1.777,1138 0.171,1139 4.702,1140 1.483,1141 4.16,1142 4.195,1143 4.118,1144 4.083,1145 4.97,1146 4.085,1147 4.068,1148 4.112,1149 4.016,1150 3.983,1151 4.832,1152 3.973,1153 3.867,1154 3.927,1155 3.872,1156 3.744,1157 4.454,1158 3.739,1159 3.818,1160 3.877,1161 3.735,1162 3.677,1163 4.409,1164 3.674,1165 3.468,1166 3.518,1167 3.616,1168 3.385,1169 4.366,1170 3.347,1171 3.331,1172 3.395,1173 3.244,1174 3.218,1175 4.103,1176 3.195,1177 3.228,1178 3.304,1179 3.083,1180 3.096,1181 3.786,1182 3.073,1183 3.228,1184 3.304,1185 3.039,1186 3.096,1187 3.733,1188 3.073,1189 0.112,1190 0.096,1191 0.178,1192 0.108,1193 0.084,1194 4.572,1195 0.11,1196 3.932,1197 0.044,1198 7.29,1199 0.32,1200 4.439,1201 0.083,1202 3.462,1203 4.516,1204 1.807,1205 13.121,1206 3.388,1207 2.064,1208 2.022,1209 2.232,1210 2.177,1211 1.699,1212 2.199,1213 1.994,1214 1.972,1215 2.088,1216 2.071,1217 1.346,1218 2.079,1219 1.763,1220 1.718,1221 1.934,1222 1.908,1223 1.286,1224 1.92,1225 1.686,1226 1.63,1227 1.868,1228 1.871,1229 1.143,1230 1.873,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.057,1236 1.795,1237 1.41,1238 1.34,1239 1.627,1240 1.633,1241 0.947,1242 1.637,1243 1.36,1244 1.31,1245 1.562,1246 1.543,1247 0.947,1248 1.561,1249 1.262,1250 1.192,1251 1.562,1252 1.445,1253 0.925,1254 1.489,1255 4.419,1257 5.802,1258 3.045,1259 7.382,1260 5.352,1261 9.058,1262 7.38,1263 10.786,1265 2.277,1271 16.553,1272 3.935,1275 3.535,1276 4.939,1277 0.304,1280 44.755,1281 99.078,1282 249.577,1283 356.632,1284 398.367,1285 398.367,1286 398.367,1287 47.06,1288 9.24,1289 34.3,1290 66.39,1291 40,1292 13.129,1293 3.7,1294 3,1295 43.564,1296 179,1297 142,1298 0.117,1299 267.531,1300 465.91,1301 644.535,1302 169963,1304 23.57,1305 0.673,1306 0.629,1307 24.07,1308 22.008,1309 17.034,1310 0.415,1311 0.354,1312 14.041,1313 16.461,1314 13.65,1315 11.177,1316 17.322,1317 14.511,1318 16.512,1319 0.266,1320 0.21,1321 16.883,1322 12.995,1323 14.455,1324 0.168,1325 0.122,1326 14.793,1327 10.532,1328 13.137,1329 0.108,1330 0.075,1331 13.52,1332 9.106,1333 10.365,1334 0.066,1335 0.042,1336 10.587,1337 6.657,1338 0.189,1339 107.157,1340 0.188,1341 32.565,1342 0.308,1343 206,1344 358.816,1345 228.583,1346 384.604,1347 547.57,1348 364,1349 251,1350 409.526,1351 270.514,1352 430.821,1353 639.44,1354 407,1355 8.252} {0 CHEMBL323986,1 1.451,2 13.813,3 3.857,4 14.877,5 131.183,6 6.532,7 0.343,8 4.281,9 4.423,10 3.744,11 3.745,12 5.248,13 3.711,14 4.871,15 5.093,16 4.092,17 4.147,18 5.762,19 4.093,20 5.105,21 5.324,22 4.188,23 4.372,24 5.978,25 4.278,26 5.269,27 5.518,28 4.133,29 4.423,30 6.12,31 4.288,32 5.291,33 5.559,34 4.063,35 4.375,36 6.133,37 4.23,38 5.21,39 5.489,40 3.967,41 4.285,42 5.986,43 4.131,44 5.114,45 5.399,46 3.903,47 4.167,48 5.948,49 4.019,50 5.036,51 5.32,52 3.838,53 4.013,54 5.947,55 3.904,56 0.054,57 1.001,58 16.216,59 5.815,60 9.927,61 8.781,62 0.444,63 1.594,64 30.61,65 8.992,66 29.406,67 14.329,68 0.428,69 1.964,70 38.199,71 12.695,72 30.367,73 19.297,74 0.4,75 2.092,76 45.005,77 15.441,78 46.775,79 23.161,80 0.616,81 2.036,82 46.669,83 15.062,84 60.371,85 22.894,86 0.525,87 1.881,88 42.826,89 13.938,90 42.952,91 21.449,92 0.495,93 1.705,94 38.933,95 12.292,96 46.464,97 19.283,98 0.452,99 1.503,100 36.76,101 10.028,102 53.33,103 16.04,104 27,105 49,106 0.231,107 0.484,108 0.663,109 0.763,110 0.827,111 0.827,112 3.502,113 0.981,114 -3.71,115 -3.68,116 -3.5,119 37.3,120 2,124 2,125 8,140 6,141 2,142 4,157 1,169 7,171 1,172 4,174 2,176 2,178 8,181 3,182 6,186 1,189 7,193 6,195 1,199 2,202 1,203 6,206 2,214 3,215 4,225 2,226 6,229 1,231 2,237 5,242 3,248 3,249 1,254 1,256 4,259 1768,260 21.541,261 21.541,262 21.541,263 21.541,264 21.541,265 19.907,266 35.606,267 12.5,268 22.199,269 17.174,270 17.174,271 17.174,272 17.174,273 17.174,274 14.603,275 52.964,276 5.841,277 18.114,278 4.615,279 3.032,280 1.911,281 1.284,282 0.881,283 0.881,284 4.196,289 1,290 953,291 3.162,295 462.77,302 2.148,303 21.38,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 68.5,315 442,316 4.354,317 3.692,318 6.521,319 4.01,320 3.061,321 3.963,322 1.701,323 10.27,324 2.918,325 4.316,326 3.302,327 6.462,328 3.984,329 3.025,330 3.927,331 0.86,332 9.988,333 2.896,334 3.976,335 3.234,336 6.045,337 3.733,338 2.783,339 3.181,340 0.8,341 8.666,342 2.63,343 3.628,344 2.781,345 5.357,346 3.406,347 2.47,348 2.898,349 0.8,350 6.904,351 2.315,352 3.558,353 2.629,354 5.26,355 3.3,356 2.338,357 2.779,358 0.8,359 6.546,360 2.241,361 3.419,362 2.43,363 5.193,364 3.135,365 2.185,366 2.527,367 0.563,368 6.369,369 2.066,370 3.103,371 2.4,372 4.923,373 2.877,374 1.966,375 2.196,376 0.075,377 5.603,378 1.8,379 3.082,380 2.261,381 4.751,382 2.8,383 1.82,384 2.18,386 5.012,387 1.763,388 2.754,389 2.003,390 4.141,391 2.377,392 1.385,393 1.807,395 3.595,396 1.367,397 2.468,398 1.342,399 3.983,400 2.11,401 1.14,402 1.46,404 3.087,405 1.103,406 2.395,407 1.335,408 3.881,409 2.083,410 1.111,411 1.335,413 2.935,414 1.072,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.795,434 1.095,435 3.023,436 1.513,437 0.628,438 0.704,440 1.109,441 0.549,442 1.285,443 0.543,444 2.802,445 1.034,446 0.061,447 0.07,449 0.142,450 0.059,451 15.167,452 0.474,453 0.818,454 0.026,455 37.25,456 1.164,457 15.5,458 0.484,459 21.75,460 0.68,461 31.624,462 0.988,463 36.433,464 0.544,465 29.132,466 0.91,467 7.513,468 0.235,469 7.927,470 0.248,471 0.154,473 0.336,479 0.872,480 1.701,481 0.909,482 1.33,483 0.624,484 1.149,485 1.198,486 0.998,487 0.952,488 0.807,489 0.591,490 0.826,491 1.046,492 1.11,493 1.12,494 1.11,495 0.876,496 1.112,497 1.027,498 1.16,499 1.063,500 1.171,501 1.248,502 1.133,503 1.147,504 0.987,505 1.053,506 1.009,507 1.42,508 1.024,509 0.908,510 1.017,511 0.974,512 1.014,513 0.833,514 1.007,515 0.726,516 1.056,517 0.905,518 1.032,519 0.813,520 0.99,521 1.558,522 0.977,523 0.959,524 0.856,525 1.867,526 0.835,527 7,528 0.144,529 4.222,530 2.25,531 1.831,532 1.111,533 0.847,534 0.635,535 0.324,536 0.208,537 15207,538 31620,539 2.063,540 52.2,541 6,542 28,545 1,550 1.741,551 1.92,552 3.71,553 -0.372,559 97.197,560 1.451,561 3.034,562 4.155,563 4.782,564 5.185,565 5.185,566 3.183,567 4.539,568 4.972,569 3.894,570 1931.53,571 8.677,572 29051,577 406.428,578 1.448,579 4.925,580 0.2,581 0.005,582 0.086,583 0.043,584 0.039,585 0.026,586 0.022,587 0.018,588 0.01,589 0.007,590 0.455,591 0.5,592 1,593 0.731,594 170.367,595 0.016,596 -0.383,597 0.084,598 -0.159,599 -0.005,600 -0.05,601 -0.005,602 0.182,603 0.082,604 0.186,605 0.1,606 0.153,607 -0.044,608 0.045,609 -0.121,610 -0.07,611 -0.037,612 -0.097,613 -0.046,614 -0.142,615 -0.083,616 -0.143,617 -0.053,618 -0.122,619 -0.015,620 -0.016,621 -0.055,622 -0.03,623 -0.095,624 -0.047,625 0.06,626 -0.055,627 0.007,628 -0.036,629 0.007,630 -0.026,631 0.191,632 -0.092,633 0.075,634 -0.07,635 0.157,636 -0.017,637 -0.115,638 -0.044,639 0.081,640 0.046,641 0.012,642 0.085,643 1.709,644 5.952,645 0.75,646 36.453,647 0.991,648 1.136,649 2.485,650 6.175,651 0.632,652 3.584,653 3.912,654 4.174,655 4.407,656 4.644,657 4.691,658 4.787,659 4.868,660 4.89,661 4.977,662 7.908,663 0.589,664 437.65,665 3.584,666 5.13,667 5.979,668 6.853,669 7.716,670 8.593,671 9.461,672 10.339,673 11.209,674 12.087,675 7.5,678 1,681 2,682 2,688 6,693 6,695 12,709 2,712 1,714 67,716 13,717 2,718 35,720 70,721 25,722 12,723 6,724 6,730 4,731 4,735 1,736 2,745 13,746 12,750 1,755 1,759 1,764 35,765 7,766 1,767 7,773 5,777 1,778 2,793 4,815 1,819 4,823 4,827 32,833 8,834 1,835 1,838 4,847 3,850 1,852 1,854 16.667,855 13.133,856 7.056,857 4.039,858 2.149,859 1.275,860 0.97,861 7.361,862 9.974,863 3.761,864 4.29,865 4.775,866 5.248,867 5.717,868 5.832,869 6.01,870 6.198,871 6.294,872 6.51,873 1,874 52,875 11.885,877 4.921,878 7.521,879 23.399,881 19.17,883 2.021,884 64.667,888 400.217,889 134.794,890 30.508,892 36.145,895 134.794,896 436.362,897 30.508,898 36.93,899 37.981,900 56.857,901 25.145,902 40.258,903 4.276,904 400.217,906 400.217,907 165.302,908 36.145,911 400.217,912 36.145,915 58.755,916 106.546,919 400.217,920 66.653,921 134.794,924 400.217,925 41.006,926 106.285,927 18.011,928 36.145,929 400.217,930 66.653,931 134.794,933 0.584,934 0.344,935 0.181,936 0.101,937 23,938 11,939 0.057,940 4,942 1,943 4.318,944 287.362,946 24,947 150,951 23.055,952 10.216,953 5.458,955 66.653,956 12.467,961 6.522,963 18.011,964 601.664,965 42,970 12.952,974 -0.042,975 66.418,976 76.138,977 0.239,978 0.5,979 0.685,980 0.788,981 0.855,982 0.855,983 5.024,984 1.82,985 5.969,986 5.603,987 4.595,988 4.977,989 2.379,990 6.77,991 4.496,992 6.197,993 1.385,994 7.527,995 5.012,996 4.205,997 4.771,998 1.577,999 7.653,1000 4.049,1001 7.49,1002 1.14,1003 9.18,1004 3.595,1005 6.188,1006 7.044,1007 2.694,1008 10.722,1009 5.99,1010 8.81,1011 1.111,1012 10.889,1013 3.087,1014 6.581,1015 7.619,1016 2.548,1017 12.415,1018 6.323,1019 10.162,1020 1,1021 12.633,1022 2.935,1023 8.045,1024 9.416,1025 3.441,1026 15.004,1027 7.749,1028 11.534,1029 1,1030 14.402,1031 2.275,1032 8.8,1033 10.358,1034 3.624,1035 17.042,1036 8.449,1037 12.923,1038 0.628,1039 16.19,1040 2.275,1041 10.05,1042 11.953,1043 4.372,1044 19.458,1045 9.661,1046 3.061,1047 0.061,1048 17.992,1049 1.109,1050 10.984,1051 13.085,1052 4.72,1053 21.649,1054 10.542,1055 3.025,1056 10.27,1057 19.805,1058 0.142,1059 12.143,1060 14.581,1061 5.376,1062 23.999,1063 11.661,1064 2.783,1065 9.988,1066 21.627,1067 3.963,1068 13.163,1069 15.817,1070 5.809,1071 26.257,1072 12.631,1073 2.47,1074 8.666,1075 23.456,1076 3.927,1077 14.285,1078 17.259,1079 6.41,1080 28.582,1081 13.712,1082 2.338,1083 6.904,1084 25.292,1085 3.181,1086 15.347,1087 18.553,1088 6.887,1089 30.87,1090 14.726,1091 2.185,1092 6.546,1093 27.132,1094 2.898,1095 16.456,1096 19.965,1097 7.458,1098 33.188,1099 15.791,1100 1.966,1101 6.369,1102 28.977,1103 2.779,1104 17.539,1105 21.292,1106 7.96,1107 35.49,1108 16.828,1109 14479,1110 21033,1111 23.175,1112 42.358,1113 52.265,1114 53.191,1115 54.339,1116 51.965,1117 51.947,1118 62.052,1119 11.2,1120 149.548,1121 49.418,1122 5.354,1123 5.692,1124 6.062,1125 5.078,1126 5.061,1127 6.963,1128 2.972,1129 17.005,1130 4.918,1131 17.267,1132 1.493,1133 1.52,1134 1.553,1135 1.485,1136 1.484,1137 1.773,1138 0.32,1139 4.273,1140 1.412,1141 4.018,1142 4.063,1143 3.956,1144 3.916,1145 7.429,1146 3.918,1147 3.95,1148 3.989,1149 3.893,1150 3.855,1151 4.865,1152 3.861,1153 3.775,1154 3.84,1155 3.678,1156 3.574,1157 4.742,1158 3.588,1159 3.722,1160 3.782,1161 3.609,1162 3.549,1163 4.424,1164 3.554,1165 3.373,1166 3.426,1167 3.291,1168 3.139,1169 4.35,1170 3.153,1171 3.258,1172 3.338,1173 3.078,1174 3.057,1175 4.267,1176 3.065,1177 3.207,1178 3.303,1179 3.017,1180 2.941,1181 3.946,1182 2.941,1183 3.163,1184 3.242,1185 2.991,1186 2.941,1187 3.887,1188 2.93,1189 0.124,1190 0.105,1191 0.186,1192 0.115,1193 0.087,1194 4.354,1195 0.113,1196 3.692,1197 0.049,1198 6.521,1199 0.293,1200 4.01,1201 0.083,1202 3.061,1203 3.963,1204 1.701,1205 10.27,1206 2.918,1207 1.956,1208 1.924,1209 2.078,1210 2.086,1211 1.311,1212 2.082,1213 1.916,1214 1.886,1215 2.034,1216 2.059,1217 1.304,1218 2.058,1219 1.726,1220 1.657,1221 1.925,1222 1.936,1223 1.139,1224 1.937,1225 1.69,1226 1.624,1227 1.889,1228 1.878,1229 1.049,1230 1.886,1231 1.305,1232 1.234,1233 1.632,1234 1.571,1235 0.825,1236 1.566,1237 1.238,1238 1.173,1239 1.573,1240 1.503,1241 0.825,1242 1.544,1243 1.174,1244 1.074,1245 1.54,1246 1.472,1247 0.719,1248 1.497,1249 1.153,1250 1.064,1251 1.513,1252 1.403,1253 0.641,1254 1.429,1255 4.263,1257 5.587,1259 7.109,1261 8.716,1263 10.365,1265 8.115,1271 7.032,1272 3.1,1273 5.589,1276 8.931,1280 39.439,1281 97.197,1282 203.293,1283 278.389,1284 320.389,1285 347.408,1286 347.408,1287 51.181,1288 7.824,1289 51.29,1290 51.29,1291 24,1292 12.626,1293 3.807,1294 3,1295 52.12,1296 154,1297 150,1298 0.164,1299 242.478,1300 423.92,1301 583.405,1302 29275,1304 22.665,1305 0.708,1306 0.616,1307 22.665,1308 19.726,1309 15.44,1310 0.441,1311 0.327,1312 11.246,1313 14.747,1314 10.828,1315 9.012,1316 15.44,1317 11.44,1318 13.978,1319 0.285,1320 0.181,1321 13.978,1322 8.871,1323 11.777,1324 0.184,1325 0.102,1326 11.777,1327 6.534,1328 9.621,1329 0.119,1330 0.056,1331 9.621,1332 4.575,1333 7.745,1334 0.075,1335 0.031,1336 7.745,1337 3.203,1338 0.264,1339 97.162,1340 0.208,1341 30.292,1342 0.433,1343 168,1344 430.384,1345 184.305,1346 413.167,1347 570.66,1348 390,1349 197,1350 421.647,1351 214.972,1352 430.237,1353 626.54,1354 401,1355 7.056} {0 CHEMBL324287,1 1.373,2 13.3,3 3.297,4 10.868,5 123.485,6 6.907,7 0.618,8 4.158,9 4.299,10 3.686,11 3.69,12 5.156,13 3.657,14 4.72,15 4.923,16 4.021,17 4.116,18 5.602,19 4.056,20 4.958,21 5.19,22 3.962,23 4.261,24 5.736,25 4.133,26 5.088,27 5.36,28 3.915,29 4.276,30 5.805,31 4.117,32 5.101,33 5.4,34 3.864,35 4.214,36 5.787,37 4.053,38 4.947,39 5.213,40 3.865,41 4.163,42 5.691,43 4.026,44 4.976,45 5.249,46 3.787,47 4.131,48 5.721,49 3.971,50 4.904,51 5.214,52 3.554,53 3.967,54 5.575,55 3.786,56 0.08,57 0.921,58 13.152,59 5.025,60 12.282,61 7.311,62 0.264,63 1.504,64 24.57,65 8.227,66 19.755,67 12.353,68 0.244,69 1.751,70 31.539,71 11.792,72 22.75,73 17.402,74 0.238,75 1.859,76 36.905,77 13.672,78 29.046,79 20.468,80 0.364,81 1.83,82 38.428,83 13.207,84 32.203,85 20.12,86 0.227,87 1.65,88 32.001,89 11.509,90 24.784,91 17.323,92 0.312,93 1.674,94 33.238,95 11.777,96 29.335,97 17.726,98 0.299,99 1.466,100 31.826,101 10.672,102 28.432,103 16.418,104 2,105 47,106 0.222,107 0.561,108 0.772,109 0.854,110 0.862,111 0.862,112 3.44,113 0.942,114 -4.93,115 -4.84,116 -4.54,119 41.4,121 2,124 1,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 10,171 2,172 6,176 3,178 10,181 1,182 5,186 3,189 7,193 8,199 4,203 9,206 2,211 4,215 6,222 3,225 1,226 6,229 2,231 1,233 3,237 2,240 1,244 4,248 2,249 2,256 6,259 1488,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.439,266 24.411,267 12.46,268 21.311,269 16.83,270 16.83,271 16.83,272 16.83,273 16.83,274 13.258,275 31.293,276 5.972,277 17.536,278 4.485,279 2.393,280 1.087,281 0.578,282 0.53,283 0.53,284 4.152,288 1,289 1,290 896,291 3.162,294 237.825,295 192.013,298 129.065,302 2.053,303 11.045,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 399,316 4.569,317 3.215,318 6.566,319 4.1,320 3.12,321 4.518,322 0.916,323 10.433,324 3.062,325 4.129,326 3.172,327 6.107,328 3.848,329 2.904,330 3.732,331 0.8,332 8.937,333 2.742,334 3.987,335 2.893,336 6.095,337 3.689,338 2.752,339 3.459,340 0.172,341 8.881,342 2.578,343 3.785,344 2.786,345 5.407,346 3.499,347 2.522,348 2.872,350 7.172,351 2.469,352 3.443,353 2.452,354 5.205,355 3.157,356 2.214,357 2.798,359 6.395,360 2.086,361 3.27,362 2.145,363 5.081,364 2.949,365 1.981,366 2.592,368 5.895,369 1.905,370 3.209,371 1.793,372 4.514,373 2.727,374 1.772,375 2.287,377 4.654,378 1.687,379 2.878,380 1.608,381 4.134,382 2.488,383 1.498,384 2.009,386 3.536,387 1.482,388 2.731,389 1.347,390 4.006,391 2.263,392 1.285,393 1.832,395 3.354,396 1.256,397 2.5,398 1.257,399 3.532,400 2.108,401 1.147,402 1.5,404 2.757,405 1.099,406 2.41,407 1.003,408 3.357,409 2,410 1,411 1.375,413 2.183,414 1,415 2.256,416 1,417 3.274,418 1.901,419 0.941,420 1.225,422 2.136,423 0.901,424 2.118,425 0.82,426 3.247,427 1.683,428 0.725,429 0.958,431 1.768,432 0.692,433 2.093,434 0.756,435 3.233,436 1.63,437 0.662,438 0.927,440 1.622,441 0.639,442 1.692,443 0.618,444 3.038,445 1.518,446 0.618,447 0.678,449 1.372,450 0.556,451 14.4,452 0.48,453 0.585,454 0.019,455 38.25,456 1.275,457 18,458 0.6,459 20.25,460 0.675,461 25.623,462 0.854,463 31.8,464 0.548,465 26.195,466 0.873,467 7.581,468 0.253,469 7.178,470 0.239,471 0.035,473 0.292,479 0.901,480 1.431,481 0.843,482 1.133,483 0.695,484 1.008,485 1.364,486 0.999,487 1.009,488 0.889,489 0.847,490 0.907,491 0.975,492 1.097,493 1.133,494 1.165,495 0.789,496 1.166,497 0.761,498 1.088,499 0.978,500 1.106,501 0.711,502 1.072,503 0.876,504 0.849,505 0.898,506 0.879,507 0.795,508 0.889,509 0.892,510 1.044,511 0.955,512 1.022,513 0.848,514 1,515 0.834,516 1.062,517 1.051,518 1.127,519 0.93,520 1.114,521 0.952,522 0.861,523 0.943,524 0.897,525 1.047,526 0.915,527 5,528 0.121,529 3.111,530 1.292,531 1.389,532 0.698,533 0.459,534 0.254,535 0.19,536 0.14,537 14353,538 31101,539 2.207,540 48.3,542 20,543 1,544 2,545 1,547 2,548 2,550 1.723,551 2.143,552 3.695,553 -0.382,555 1,559 79.608,560 1.373,561 3.465,562 4.771,563 5.28,564 5.328,565 5.328,566 3.127,567 4.307,568 4.879,569 3.874,570 1685.37,571 8.482,572 24503.3,574 1,577 339.763,578 1.075,579 4.87,580 0.147,581 0.005,582 0.066,583 0.031,584 0.036,585 0.019,586 0.012,587 0.008,588 0.007,589 0.006,590 0.336,591 0.33,592 0.88,593 0.327,594 157.243,595 0.137,596 -0.213,597 0.093,598 -0.082,599 0.219,600 -0.014,601 -0.104,602 0.155,603 -0.03,604 0.092,605 0.021,606 0.048,607 -0.093,608 -0.066,609 -0.177,610 -0.146,611 -0.036,612 -0.166,613 0.016,614 -0.152,615 -0.012,616 -0.094,617 0.074,618 -0.063,619 0.061,620 0.067,621 0.096,622 0.092,623 0.076,624 0.097,625 -0.022,626 -0.08,627 0.018,628 -0.021,629 -0.002,630 -0.001,631 0.099,632 -0.105,633 -0.07,634 -0.143,635 -0.016,636 -0.128,637 0.007,638 0.036,639 0.058,640 0.063,641 -0.065,642 0.065,643 0.7,644 0.923,645 0.833,646 32.813,647 0.988,648 1.13,649 3.703,650 13.715,651 0.662,652 3.555,653 3.871,654 4.159,655 4.419,656 4.554,657 4.654,658 4.787,659 4.956,660 5.011,661 5.075,662 7.801,663 0.619,664 400.58,665 3.555,666 5.094,667 5.948,668 6.819,669 7.687,670 8.562,671 9.435,672 10.314,673 11.191,674 12.071,675 10.3,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 58,716 21,717 2,718 34,720 62,721 24,722 16,723 4,724 8,730 5,731 6,740 2,743 3,745 16,746 8,761 1,764 28,765 4,766 1,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,815 2,819 4,823 1,827 30,833 6,837 1,838 2,844 1,854 14,855 10.5,856 6.528,857 3.516,858 3.584,859 1.443,860 1.021,861 5.562,862 11.669,863 3.818,864 4.407,865 5.002,866 5.589,867 6.015,868 6.35,869 6.8,870 7.238,871 7.435,872 7.671,873 0.889,874 42,875 11.07,877 4.663,878 7.406,879 22.032,881 18.603,883 1.906,884 57.167,887 1,888 317.82,889 137.828,890 58.259,895 137.828,896 317.82,897 58.259,898 8.396,899 13.492,900 84.857,901 74.105,902 36.634,903 13.915,904 282.506,906 317.82,907 196.087,911 270.735,912 47.084,915 55.662,916 107.099,917 33.326,919 317.82,920 58.259,921 137.828,924 317.82,925 27.337,926 118.639,927 16.786,928 33.326,929 317.82,930 58.259,931 137.828,933 0.578,934 0.339,935 0.184,936 0.09,937 24,938 9,939 0.113,940 7,941 1,942 1.08,943 4.405,944 266.034,945 0.08,946 25,947 139.207,951 19.347,952 8.625,953 4.306,954 2.474,955 39.575,956 22.871,957 7.839,958 3.423,961 3.86,962 1.948,963 16.786,964 513.907,965 44.5,975 57.33,976 65.557,977 0.234,978 0.591,979 0.815,980 0.901,981 0.909,982 0.909,983 5.045,984 1.498,985 5.911,986 4.654,987 4.554,988 5.094,989 1.242,990 6.696,991 4.476,992 6.224,993 1.285,994 7.447,995 3.536,996 4.007,997 4.732,998 0.57,999 7.516,1000 3.878,1001 7.51,1002 1.147,1003 9.083,1004 3.354,1005 6.12,1006 7.267,1007 0.883,1008 10.614,1009 5.966,1010 8.834,1011 1,1012 10.779,1013 2.757,1014 6.463,1015 7.854,1016 0.581,1017 12.3,1018 6.258,1019 10.195,1020 0.941,1021 12.514,1022 2.183,1023 7.969,1024 9.777,1025 0.68,1026 14.874,1027 7.744,1028 11.58,1029 0.725,1030 14.277,1031 2.136,1032 8.712,1033 10.824,1034 0.515,1035 16.911,1036 8.446,1037 12.986,1038 0.662,1039 16.059,1040 1.768,1041 9.977,1042 12.496,1043 0.541,1044 19.311,1045 9.691,1046 3.12,1047 0.618,1048 17.855,1049 1.622,1050 10.91,1051 13.774,1052 0.441,1053 21.5,1054 10.59,1055 2.904,1056 10.433,1057 19.663,1058 1.372,1059 12.076,1060 15.34,1061 0.438,1062 23.84,1063 11.736,1064 2.752,1065 8.937,1066 21.479,1067 4.518,1068 13.098,1069 16.733,1070 0.373,1071 26.1,1072 12.732,1073 2.522,1074 8.881,1075 23.302,1076 3.732,1077 14.225,1078 18.256,1079 0.358,1080 28.423,1081 13.84,1082 2.214,1083 7.172,1084 25.131,1085 3.459,1086 15.292,1087 19.705,1088 0.314,1089 30.716,1090 14.885,1091 1.981,1092 6.395,1093 26.965,1094 2.872,1095 16.406,1096 21.213,1097 0.296,1098 33.037,1099 15.982,1100 1.772,1101 5.895,1102 28.803,1103 2.798,1104 17.495,1105 22.69,1106 0.264,1107 35.348,1108 17.053,1109 13078,1110 19441,1111 23.75,1112 38.41,1113 51.332,1114 50.644,1115 51.123,1116 50.978,1117 50.977,1118 66.349,1119 3.778,1120 143.922,1121 48.982,1122 5.522,1123 5.215,1124 6.368,1125 5.16,1126 5.12,1127 7.518,1128 1.605,1129 17.106,1130 5.062,1131 7.13,1132 1.51,1133 1.49,1134 1.504,1135 1.499,1136 1.499,1137 1.951,1138 0.111,1139 4.233,1140 1.441,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.951,1148 4.002,1149 3.866,1150 3.863,1151 4.927,1152 3.857,1153 3.847,1154 3.911,1155 3.791,1156 3.694,1157 4.756,1158 3.698,1159 3.811,1160 3.874,1161 3.724,1162 3.575,1163 4.391,1164 3.615,1165 3.47,1166 3.548,1167 3.339,1168 3.303,1169 4.253,1170 3.305,1171 3.339,1172 3.412,1173 3.21,1174 3.156,1175 4.064,1176 3.157,1177 3.179,1178 3.266,1179 3.019,1180 2.983,1181 3.82,1182 2.982,1183 2.963,1184 3.053,1185 2.773,1186 2.8,1187 3.674,1188 2.779,1189 0.134,1190 0.095,1191 0.193,1192 0.121,1193 0.092,1194 4.569,1195 0.133,1196 3.215,1197 0.027,1198 6.566,1199 0.307,1200 4.1,1201 0.09,1202 3.12,1203 4.518,1204 0.916,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.05,1210 2.052,1211 1.28,1212 2.049,1213 1.916,1214 1.884,1215 2.039,1216 2.016,1217 1.266,1218 2.03,1219 1.682,1220 1.622,1221 1.877,1222 1.88,1223 1.123,1224 1.885,1225 1.639,1226 1.574,1227 1.865,1228 1.824,1229 1.104,1230 1.842,1231 1.441,1232 1.366,1233 1.661,1234 1.693,1235 0.887,1236 1.679,1237 1.377,1238 1.311,1239 1.569,1240 1.596,1241 0.722,1242 1.591,1243 1.245,1244 1.162,1245 1.506,1246 1.476,1247 0.584,1248 1.509,1249 1.078,1250 0.982,1251 1.361,1252 1.442,1253 0.502,1254 1.379,1255 4.234,1257 5.549,1258 3.434,1259 7.041,1260 5.687,1261 8.613,1262 7.687,1263 10.23,1265 2.257,1271 6.749,1275 0.633,1276 5.112,1280 35.923,1281 79.608,1282 200.954,1283 276.743,1284 306.253,1285 309.008,1286 309.008,1287 34.132,1288 8.085,1289 52.98,1290 52.98,1291 27,1292 12.608,1293 4.459,1294 3.524,1295 41.872,1296 143,1297 134,1298 0.141,1299 218.439,1300 360.6,1301 524.751,1302 42967,1304 20.338,1305 0.678,1306 0.58,1307 20.338,1308 17.407,1309 14.759,1310 0.434,1311 0.314,1312 10.537,1313 14.245,1314 10.275,1315 8.516,1316 14.759,1317 10.676,1318 13.113,1319 0.279,1320 0.177,1321 13.113,1322 8.307,1323 11.431,1324 0.181,1325 0.1,1326 11.431,1327 6.311,1328 9.579,1329 0.117,1330 0.055,1331 9.579,1332 4.522,1333 7.054,1334 0.075,1335 0.031,1336 7.054,1337 2.93,1338 0.229,1339 91.856,1340 0.205,1341 28.936,1342 0.369,1343 162,1344 374.558,1345 173.185,1346 373.893,1347 528.99,1348 354,1349 191,1350 405.476,1351 204.322,1352 416.258,1353 601.86,1354 390,1355 7.426} {0 CHEMBL324289,1 1.572,2 17.059,3 3.349,4 11.218,5 132.464,6 7.163,7 0.432,8 4.267,9 4.396,10 3.794,11 3.751,12 5.354,13 3.732,14 4.827,15 5.01,16 4.124,17 4.156,18 5.926,19 4.109,20 5.107,21 5.338,22 4.167,23 4.304,24 6.072,25 4.224,26 5.15,27 5.371,28 4.076,29 4.302,30 6.167,31 4.197,32 5.157,33 5.416,34 3.937,35 4.222,36 6.086,37 4.081,38 5.049,39 5.325,40 3.819,41 4.101,42 5.907,43 3.953,44 4.925,45 5.188,46 3.803,47 4.003,48 5.825,49 3.886,50 4.919,51 5.165,52 3.762,53 3.917,54 5.973,55 3.829,56 0.15,57 0.97,58 14.279,59 5.719,60 13.705,61 7.955,62 0.379,63 1.533,64 27.028,65 9.531,66 53.539,67 13.679,68 0.478,69 1.835,70 37.825,71 12.589,72 53.238,73 18.268,74 0.509,75 1.825,76 39.678,77 13.593,78 79.984,79 19.214,80 0.655,81 1.742,82 41.374,83 13.842,84 85.192,85 20.114,86 0.687,87 1.573,88 37.46,89 11.922,90 65.056,91 18.141,92 0.383,93 1.411,94 32.414,95 10.498,96 46.315,97 15.735,98 0.603,99 1.299,100 33.363,101 9.798,102 83.655,103 13.941,104 22,105 50,106 0.249,107 0.574,108 0.734,109 0.819,110 0.848,111 0.848,112 3.559,113 0.953,114 -3.57,115 -3.55,116 -3.38,119 38.5,121 4,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 1,162 1,163 1,164 2,169 8,171 2,172 9,176 4,178 7,180 1,181 1,182 13,186 4,189 6,191 1,193 8,197 1,199 4,201 1,202 2,203 4,206 1,207 1,208 1,210 1,211 5,213 1,214 4,215 3,220 1,222 5,224 1,226 3,228 1,229 1,231 2,233 6,235 1,236 1,237 6,242 1,244 6,248 3,249 4,254 2,256 5,258 1,259 2272,260 23.214,261 23.214,262 23.214,263 23.214,264 23.214,265 20.952,266 28.001,267 13.902,268 23.68,269 18.213,270 18.213,271 18.213,272 18.213,273 18.213,274 14.702,275 31.69,276 6.493,277 18.933,278 4.451,279 2.407,280 1.398,281 0.862,282 0.677,283 0.677,284 4.257,289 1,290 1252,291 4.123,294 100.647,295 374.23,298 175.658,302 2.706,303 36.582,306 1,307 0.5,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.8,314 74.5,315 580,316 4.55,317 3.778,318 6.546,319 4.076,320 3.092,321 4.504,322 2.612,323 10.36,324 3.042,325 4.278,326 3.718,327 6.179,328 3.885,329 2.935,330 3.962,331 1.94,332 9.151,333 2.792,334 4.014,335 3.186,336 5.996,337 3.727,338 2.76,339 3.366,340 0.86,341 8.474,342 2.663,343 3.881,344 3.095,345 5.881,346 3.541,347 2.586,348 3.129,349 0.8,350 8.047,351 2.464,352 3.715,353 2.774,354 5.317,355 3.326,356 2.387,357 3.094,358 0.555,359 6.863,360 2.242,361 3.346,362 2.344,363 5.096,364 2.949,365 1.978,366 2.675,368 5.914,369 1.91,370 3.167,371 2.171,372 4.523,373 2.821,374 1.836,375 2.306,377 4.662,378 1.8,379 2.852,380 2.074,381 4.167,382 2.591,383 1.62,384 1.882,386 3.813,387 1.569,388 2.754,389 1.779,390 4.152,391 2.322,392 1.348,393 1.846,395 3.525,396 1.307,397 2.631,398 1.483,399 3.728,400 2.288,401 1.301,402 1.628,404 3.025,405 1.28,406 2.5,407 1.396,408 3.625,409 2.048,410 1.087,411 1.5,413 2.669,414 1.04,415 2.37,416 1.297,417 3.414,418 2.003,419 1.039,420 1.326,422 2.275,423 1,424 2.31,425 1.146,426 3.414,427 2,428 1,429 1.255,431 2.275,432 0.998,433 2.003,434 1.124,435 3.328,436 1.967,437 1,438 1,440 2.108,441 0.965,442 2,443 1,444 3.079,445 1.703,446 0.744,447 0.896,449 1.566,450 0.705,451 15.833,452 0.466,453 0.712,454 0.021,455 41.75,456 1.228,457 19.5,458 0.574,459 22.25,460 0.654,461 30.186,462 0.888,463 38.167,464 0.587,465 31.983,466 0.941,467 8.157,468 0.24,469 8.389,470 0.247,471 0.088,473 0.297,479 0.621,480 1.369,481 0.814,482 1.144,483 0.55,484 1.027,485 0.795,486 1.204,487 0.934,488 1.081,489 0.461,490 1.028,491 0.95,492 0.972,493 0.962,494 0.976,495 0.656,496 0.962,497 1.132,498 1.133,499 1.152,500 1.187,501 1.12,502 1.182,503 0.871,504 0.977,505 1.016,506 1.071,507 0.952,508 1.083,509 0.641,510 0.931,511 0.927,512 0.964,513 0.498,514 0.993,515 0.764,516 1.033,517 0.906,518 1.064,519 0.579,520 1.013,521 1.513,522 0.876,523 1.095,524 0.916,525 1.477,526 0.937,527 6,528 0.17,529 4.222,530 1.854,531 1.258,532 1.035,533 0.642,534 0.374,535 0.261,536 0.198,537 21194,538 57900,539 2.077,540 47.7,541 2,542 19,543 1,545 3,546 2,547 4,550 1.75,551 1.962,552 4.01,553 0.84,559 102.168,560 1.572,561 3.615,562 4.624,563 5.161,564 5.345,565 5.345,566 3.506,567 4.676,568 5.06,569 4.231,570 2373.46,571 8.815,572 40883.2,577 391.454,578 1.333,579 5.026,580 0.162,581 0.006,582 0.084,583 0.036,584 0.029,585 0.028,586 0.019,587 0.011,588 0.008,589 0.007,590 0.392,591 0.33,592 0.88,593 0.903,594 190.066,595 0.098,596 -0.077,597 0.057,598 -0.008,599 -0.002,600 0.009,601 0.037,602 -0.042,603 -0.011,604 -0.023,605 0.142,606 -0.021,607 -0.085,608 0.069,609 -0.005,610 0.034,611 0.008,612 0.036,613 -0.149,614 -0.136,615 -0.187,616 -0.159,617 -0.106,618 -0.177,619 0.024,620 -0.053,621 -0.038,622 -0.073,623 -0.062,624 -0.075,625 0.145,626 -0.003,627 0.048,628 0.011,629 0.067,630 0.01,631 0.036,632 -0.079,633 0.063,634 -0.078,635 0.067,636 -0.008,637 -0.192,638 0.026,639 -0.053,640 0.031,641 -0.134,642 0.016,643 2.398,644 5.588,645 0.618,646 45.519,647 1.005,648 1.134,649 2.344,650 5.495,651 0.642,652 3.638,653 3.932,654 4.19,655 4.394,656 4.585,657 4.663,658 4.762,659 4.727,660 4.7,661 4.796,662 9.863,663 0.613,664 465.61,665 3.638,666 5.165,667 6.004,668 6.862,669 7.717,670 8.581,671 9.443,672 10.31,673 11.175,674 12.043,675 7.7,676 1,681 1,682 1,683 1,686 1,687 2,688 8,690 1,693 4,695 16,708 1,709 1,712 1,714 65,716 19,717 2,718 37,720 68,721 25,722 14,723 5,724 7,730 4,731 5,736 1,743 4,745 15,746 10,750 3,752 1,755 3,759 1,764 31,765 7,766 3,767 9,773 5,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 34,828 1,833 10,835 1,838 2,847 6.2,850 1,852 1,853 2,854 17.333,855 11.267,856 7.639,857 4.054,858 3.033,859 1.38,860 0.978,861 8.298,862 11.02,863 3.892,864 4.451,865 4.99,866 5.518,867 5.991,868 6.27,869 6.592,870 6.744,871 6.597,872 6.727,873 1,874 51,875 12.61,877 5.334,878 7.843,879 24.166,881 19.87,883 2.343,884 79.667,888 329.591,889 124.004,890 61.601,892 86.892,895 124.004,896 416.483,897 61.601,898 5.67,899 61.281,900 75.381,901 29.85,902 47.425,903 13.915,904 317.82,905 50.747,906 329.591,907 185.606,908 86.892,911 282.506,912 83.229,913 50.747,915 78.066,916 101.87,917 5.67,919 329.591,920 148.493,921 124.004,924 329.591,925 48.623,926 87.3,927 16.786,928 119.789,929 329.591,930 148.493,931 124.004,933 0.572,934 0.334,935 0.174,936 0.093,937 22,938 10,939 0.147,940 10,941 1,942 1.095,943 4.732,944 292.265,945 0.095,946 21,947 162.974,951 24.361,952 11.581,953 6.23,954 2.223,955 126.038,956 14.593,958 3.258,961 3.062,963 49.683,964 602.088,965 48,967 -0.398,970 34.212,974 0.17,975 65.305,976 73.727,977 0.261,978 0.6,979 0.768,980 0.857,981 0.888,982 0.888,983 5.118,984 1.62,985 5.969,986 4.662,987 4.615,988 5.139,989 3.06,990 6.744,991 4.543,992 6.299,993 1.348,994 7.508,995 3.813,996 4.111,997 4.966,998 2.727,999 7.594,1000 4.001,1001 7.595,1002 1.301,1003 9.149,1004 3.525,1005 6.176,1006 7.32,1007 4.427,1008 10.656,1009 6.032,1010 8.93,1011 1.087,1012 10.85,1013 3.025,1014 6.524,1015 8.026,1016 4.726,1017 12.348,1018 6.344,1019 10.299,1020 1.039,1021 12.589,1022 2.669,1023 8.02,1024 9.85,1025 6.099,1026 14.901,1027 7.812,1028 11.692,1029 1,1030 14.354,1031 2.275,1032 8.757,1033 10.955,1034 6.68,1035 16.933,1036 8.519,1037 13.104,1038 1,1039 16.137,1040 2.275,1041 10.018,1042 12.576,1043 7.88,1044 19.315,1045 9.754,1046 3.092,1047 0.744,1048 17.933,1049 2.108,1050 10.941,1051 13.875,1052 8.617,1053 21.496,1054 10.653,1055 2.935,1056 10.36,1057 19.738,1058 1.566,1059 12.102,1060 15.413,1061 9.718,1062 23.82,1063 11.791,1064 2.76,1065 9.151,1066 21.552,1067 4.504,1068 13.114,1069 16.809,1070 10.547,1071 26.07,1072 12.782,1073 2.586,1074 8.474,1075 23.372,1076 3.962,1077 14.234,1078 18.315,1079 11.591,1080 28.38,1081 13.881,1082 2.387,1083 8.047,1084 25.196,1085 3.366,1086 15.291,1087 19.759,1088 12.473,1089 30.663,1090 14.919,1091 1.978,1092 6.863,1093 27.025,1094 3.129,1095 16.396,1096 21.254,1097 13.483,1098 32.973,1099 16.006,1100 1.836,1101 5.914,1102 28.858,1103 3.094,1104 17.475,1105 22.723,1106 14.398,1107 35.274,1108 17.068,1109 20043,1110 33352,1111 24.849,1112 41.745,1113 54.867,1114 56.842,1115 56.378,1116 54.582,1117 54.553,1118 70.099,1119 13.537,1120 151.817,1121 52.63,1122 5.55,1123 5.778,1124 6.315,1125 5.143,1126 5.092,1127 7.504,1128 4.612,1129 17.015,1130 5.042,1131 16.717,1132 1.483,1133 1.536,1134 1.524,1135 1.475,1136 1.474,1137 1.895,1138 0.366,1139 4.103,1140 1.422,1141 4.133,1142 4.165,1143 4.091,1144 4.046,1145 7.815,1146 4.053,1147 4.009,1148 4.047,1149 3.964,1150 3.875,1151 7.427,1152 3.886,1153 3.83,1154 3.881,1155 3.746,1156 3.639,1157 6.999,1158 3.65,1159 3.675,1160 3.733,1161 3.557,1162 3.493,1163 5.037,1164 3.494,1165 3.556,1166 3.623,1167 3.461,1168 3.408,1169 4.958,1170 3.402,1171 3.465,1172 3.503,1173 3.367,1174 3.155,1175 4.71,1176 3.186,1177 3.365,1178 3.424,1179 3.235,1180 3.07,1181 4.583,1182 3.117,1183 3.232,1184 3.291,1185 3.101,1186 2.977,1187 4.256,1188 3.016,1189 0.123,1190 0.102,1191 0.177,1192 0.11,1193 0.084,1194 4.55,1195 0.122,1196 3.778,1197 0.071,1198 6.546,1199 0.28,1200 4.076,1201 0.082,1202 3.092,1203 4.504,1204 2.612,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.051,1210 2.107,1211 1.322,1212 2.083,1213 1.934,1214 1.902,1215 2.025,1216 2.029,1217 1.26,1218 2.028,1219 1.762,1220 1.708,1221 1.955,1222 1.983,1223 1.22,1224 1.961,1225 1.653,1226 1.594,1227 1.873,1228 1.849,1229 1.045,1230 1.863,1231 1.633,1232 1.568,1233 1.847,1234 1.84,1235 1.014,1236 1.848,1237 1.308,1238 1.251,1239 1.546,1240 1.641,1241 0.825,1242 1.585,1243 1.257,1244 1.183,1245 1.513,1246 1.577,1247 0.778,1248 1.545,1249 1.154,1250 1.116,1251 1.51,1252 1.485,1253 0.555,1254 1.474,1255 4.317,1257 5.617,1258 2.398,1259 7.107,1260 4.727,1261 8.684,1262 6.823,1263 10.306,1269 5.689,1271 6.887,1273 5.911,1276 4.059,1280 39.815,1281 102.168,1282 234.999,1283 300.583,1284 335.454,1285 347.454,1286 347.454,1287 71.818,1288 7.988,1289 120.41,1290 120.41,1291 23,1292 12.588,1293 4.322,1294 3.585,1295 57.633,1296 206,1297 176,1298 0.132,1299 244.615,1300 425.32,1301 588.621,1302 41754,1304 23.916,1305 0.703,1306 0.566,1307 23.916,1308 19.242,1309 16.546,1310 0.447,1311 0.318,1312 11.57,1313 15.778,1314 11.395,1315 9.377,1316 16.546,1317 11.75,1318 14.438,1319 0.289,1320 0.17,1321 14.438,1322 8.507,1323 12.149,1324 0.187,1325 0.096,1326 12.149,1327 6.264,1328 9.709,1329 0.121,1330 0.054,1331 9.709,1332 4.335,1333 7.551,1334 0.078,1335 0.03,1336 7.551,1337 2.922,1338 0.222,1339 104.618,1340 0.201,1341 32.795,1342 0.327,1343 174,1344 529.523,1345 193.178,1346 502.761,1347 674.68,1348 468,1349 202,1350 493.484,1351 221.183,1352 488.885,1353 708.71,1354 461,1355 8.674} {0 CHEMBL324751,1 1.428,2 15.706,3 3.082,4 9.501,5 138.88,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.304,13 3.787,14 4.873,15 5.072,16 4.149,17 4.257,18 5.776,19 4.192,20 5.165,21 5.392,22 4.149,23 4.426,24 6.026,25 4.304,26 5.306,27 5.578,28 4.037,29 4.429,30 6.079,31 4.262,32 5.281,33 5.592,34 3.923,35 4.322,36 5.967,37 4.143,38 5.106,39 5.389,40 3.935,41 4.238,42 5.849,43 4.093,44 5.075,45 5.337,46 3.99,47 4.24,48 5.913,49 4.113,50 5.104,51 5.363,52 3.84,53 4.239,54 5.925,55 4.081,56 0.103,57 1.046,58 15.933,59 6.109,60 14.474,61 8.832,62 0.267,63 1.698,64 29.172,65 10.316,66 20.739,67 15.281,68 0.376,69 2.044,70 39.793,71 14.535,72 40.784,73 21.226,74 0.439,75 2.196,76 46.678,77 16.271,78 48.583,79 24.53,80 0.469,81 2.05,82 46.343,83 15.421,84 44.52,85 23.742,86 0.336,87 1.793,88 38.287,89 13.307,90 33.966,91 20.065,92 0.35,93 1.784,94 36.962,95 12.839,96 41.039,97 19.111,98 0.414,99 1.8,100 38.257,101 13,102 46.536,103 19.336,104 5,105 53,106 0.224,107 0.567,108 0.761,109 0.835,110 0.857,111 0.862,112 3.56,113 0.967,114 -4.79,115 -4.7,116 -4.41,119 39.7,120 1,121 4,125 5,129 1,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 6,178 14,182 3,185 1,186 7,189 10,193 6,195 1,197 4,199 6,203 6,206 2,208 2,211 6,215 4,218 1,220 3,222 7,226 4,229 2,231 5,233 8,236 1,237 5,242 5,244 4,249 3,254 2,256 3,259 2182,260 23.344,261 23.344,262 23.344,263 23.344,264 23.344,265 20.853,266 28.515,267 13.787,268 23.777,269 18.748,270 18.748,271 18.748,272 18.748,273 18.748,274 15.089,275 33.74,276 6.513,277 19.468,278 4.66,279 2.48,280 1.245,281 0.769,282 0.629,283 0.599,284 4.269,289 1,290 1186,291 3.606,294 187.101,295 358.306,298 160.174,302 2.564,303 20.651,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 534,316 4.568,317 3.5,318 6.972,319 4.237,320 3.28,321 4.518,322 0.8,323 11.778,324 3.131,325 4.282,326 3.196,327 6.566,328 4.099,329 3.118,330 3.774,331 0.657,332 10.431,333 3.062,334 4.157,335 3.02,336 6.095,337 3.788,338 2.791,339 3.731,341 8.884,342 2.782,343 4.129,344 2.885,345 6.021,346 3.689,347 2.753,348 3.279,350 8.546,351 2.577,352 3.458,353 2.746,354 5.31,355 3.33,356 2.409,357 2.812,359 6.872,360 2.217,361 3.378,362 2.184,363 5.126,364 3.009,365 2.03,366 2.593,368 6,369 1.981,370 3.246,371 1.962,372 4.514,373 2.731,374 1.776,375 2.401,377 4.655,378 1.691,379 2.942,380 1.795,381 4.233,382 2.605,383 1.632,384 2.107,386 3.99,387 1.589,388 2.85,389 1.499,390 4.134,391 2.414,392 1.414,393 1.987,395 3.484,396 1.414,397 2.743,398 1.38,399 3.802,400 2.324,401 1.337,402 1.849,404 3.005,405 1.318,406 2.432,407 1.317,408 3.759,409 2.12,410 1.156,411 1.41,413 2.631,414 1.112,415 2.291,416 1.168,417 3.597,418 2.023,419 1.077,420 1.255,422 2.412,423 1.016,424 2.224,425 1.077,426 3.456,427 1.984,428 1,429 1.179,431 2.372,432 0.983,433 2.118,434 0.939,435 3.315,436 1.861,437 0.897,438 1,440 2.097,441 0.863,442 2,443 0.685,444 3.177,445 1.568,446 0.618,447 0.927,449 1.481,450 0.584,451 16.233,452 0.477,453 0.749,454 0.022,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 33.571,462 0.987,463 37.167,464 0.547,465 28.341,466 0.834,467 7.736,468 0.228,469 8.859,470 0.261,471 0.051,472 0.031,473 0.234,479 0.963,480 1.363,481 0.898,482 1.12,483 0.919,484 1.022,485 1.062,486 1.062,487 0.98,488 0.994,489 0.801,490 0.972,491 1.174,492 1.132,493 1.129,494 1.157,495 1.324,496 1.152,497 0.973,498 1.097,499 1.076,500 1.12,501 1.057,502 1.117,503 0.834,504 0.827,505 0.884,506 0.86,507 0.769,508 0.873,509 0.88,510 0.929,511 0.876,512 0.93,513 0.859,514 0.908,515 1.04,516 1.011,517 0.953,518 1.019,519 1.127,520 0.989,521 1.384,522 1.031,523 1.23,524 1.121,525 1.649,526 1.162,527 6.5,528 0.169,529 4.222,530 1.569,531 1.299,532 0.931,533 0.73,534 0.303,535 0.266,536 0.276,537 21350,538 46712,539 2.156,540 50,541 5,542 17,543 1,544 2,545 3,547 2,548 4,550 1.752,551 2.071,552 3.893,553 0.782,559 97.082,560 1.428,561 3.608,562 4.842,563 5.319,564 5.459,565 5.488,566 3.377,567 4.433,568 5.06,569 4.131,570 2317.48,571 8.827,572 38739.5,577 413.947,578 1.263,579 5.037,580 0.171,581 0.006,582 0.08,583 0.031,584 0.031,585 0.024,586 0.018,587 0.007,588 0.008,589 0.01,590 0.386,591 0.17,592 0.88,593 0.39,594 188.174,595 0.02,596 -0.108,597 0.064,598 -0.012,599 -0.019,600 0.02,601 -0.037,602 0.102,604 0.043,605 0.016,606 0.031,607 -0.084,608 -0.1,609 -0.151,610 -0.118,611 -0.071,612 -0.141,613 -0.026,614 -0.146,615 -0.099,616 -0.125,617 -0.053,618 -0.123,619 0.037,620 0.072,621 0.101,622 0.092,623 0.026,624 0.103,625 0.033,626 0.008,627 0.104,628 0.058,629 0.06,630 0.085,631 0.029,632 -0.037,633 0.036,634 -0.024,635 0.049,636 0.001,637 -0.185,638 -0.054,639 -0.233,640 -0.135,641 -0.245,642 -0.184,643 1.853,644 5.031,645 0.765,646 44.021,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.989,654 4.248,655 4.466,656 4.635,657 4.7,658 4.812,659 4.913,660 4.99,661 5.081,662 9.284,663 0.606,664 458.67,665 3.664,666 5.209,667 6.057,668 6.929,669 7.789,670 8.663,671 9.529,672 10.405,673 11.275,674 12.152,675 8.8,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 4,745 16,746 11,747 1,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,781 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,823 1,827 34,832 1,833 9,834 1,838 1,839 1,844 1,847 1.5,848 1,854 16.417,855 12.083,856 7.403,857 4.193,858 3.577,859 1.431,860 0.976,861 7,862 11.872,863 3.902,864 4.489,865 5.061,866 5.619,867 6.044,868 6.365,869 6.788,870 7.202,871 7.398,872 7.628,873 1,874 50,875 12.609,877 5.358,878 7.493,879 24.911,881 21.069,883 1.993,884 67.75,888 364.904,889 139.141,890 73.146,892 42.683,895 139.141,896 407.588,897 73.146,898 8.825,899 20.667,900 136.075,901 74.105,902 36.695,903 13.915,904 329.591,906 364.904,907 212.286,908 42.683,911 294.278,912 70.627,913 42.683,915 86.549,916 92.412,917 33.326,919 364.904,920 115.829,921 139.141,924 364.904,925 37.697,926 106.467,927 34.796,928 76.009,929 364.904,930 115.829,931 139.141,933 0.582,934 0.339,935 0.175,936 0.088,937 26,938 10,939 0.125,940 9,941 1,942 1.077,943 4.772,944 306.157,945 0.077,946 26,947 162.974,951 23.097,952 10.305,953 5.542,954 2.423,955 97.144,956 20.414,957 7.824,958 3.401,961 5.014,962 1.932,963 77.48,964 619.874,965 48.5,975 67.309,976 77.012,977 0.235,978 0.593,979 0.795,980 0.874,981 0.897,982 0.902,983 5.143,984 1.632,985 6.047,986 4.655,987 4.673,988 5.176,989 1.038,990 6.862,991 4.601,992 6.338,993 1.414,994 7.611,995 3.99,996 4.29,997 4.934,998 0.325,999 7.98,1000 4.174,1001 7.646,1002 1.337,1003 9.285,1004 3.484,1005 6.312,1006 7.366,1007 0.607,1008 10.973,1009 6.172,1010 8.993,1011 1.156,1012 11.029,1013 3.005,1014 6.804,1015 8.023,1016 0.268,1017 12.937,1018 6.619,1019 10.375,1020 1.077,1021 12.817,1022 2.631,1023 8.268,1024 9.888,1025 0.359,1026 15.497,1027 8.062,1028 11.781,1029 1,1030 14.636,1031 2.412,1032 9.133,1033 10.965,1034 0.188,1035 17.756,1036 8.885,1037 13.204,1038 0.897,1039 16.477,1040 2.372,1041 10.395,1042 12.604,1043 0.214,1044 20.209,1045 10.123,1046 3.28,1047 0.618,1048 18.333,1049 2.097,1050 11.422,1051 13.889,1052 0.125,1053 22.576,1054 11.11,1055 3.118,1056 11.778,1057 20.2,1058 1.481,1059 12.61,1060 15.434,1061 0.129,1062 25.008,1063 12.269,1064 2.791,1065 10.431,1066 22.077,1067 4.518,1068 13.708,1069 16.823,1070 0.082,1071 27.418,1072 13.329,1073 2.753,1074 8.884,1075 23.961,1076 3.774,1077 14.872,1078 18.332,1079 0.079,1080 29.851,1081 14.46,1082 2.409,1083 8.546,1084 25.852,1085 3.731,1086 16.003,1087 19.773,1088 0.054,1089 32.281,1090 15.553,1091 2.03,1092 6.872,1093 27.747,1094 3.279,1095 17.162,1096 21.271,1097 0.048,1098 34.721,1099 16.675,1100 1.776,1101 6,1102 29.647,1103 2.812,1104 18.31,1105 22.741,1106 0.035,1107 37.162,1108 17.783,1109 19586,1110 29176,1111 26.118,1112 44.148,1113 56.987,1114 56.441,1115 57.338,1116 56.419,1117 56.407,1118 71.967,1119 2.915,1120 161.471,1121 54.34,1122 5.568,1123 5.5,1124 6.663,1125 5.297,1126 5.28,1127 7.518,1128 1.457,1129 18.442,1130 5.131,1131 11.369,1132 1.5,1133 1.485,1134 1.509,1135 1.485,1136 1.484,1137 1.894,1138 0.077,1139 4.249,1140 1.43,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.446,1146 4.07,1147 3.96,1148 4.003,1149 3.882,1150 3.888,1151 5.135,1152 3.882,1153 3.877,1154 3.928,1155 3.792,1156 3.736,1157 4.927,1158 3.737,1159 3.826,1160 3.898,1161 3.767,1162 3.588,1163 4.747,1164 3.625,1165 3.571,1166 3.64,1167 3.433,1168 3.405,1169 4.315,1170 3.406,1171 3.389,1172 3.471,1173 3.258,1174 3.194,1175 4.252,1176 3.201,1177 3.266,1178 3.337,1179 3.135,1180 3.093,1181 4.147,1182 3.092,1183 3.17,1184 3.257,1185 2.969,1186 3.019,1187 3.902,1188 2.995,1189 0.12,1190 0.092,1191 0.183,1192 0.112,1193 0.086,1194 4.568,1195 0.119,1196 3.5,1197 0.021,1198 6.972,1199 0.31,1200 4.237,1201 0.082,1202 3.28,1203 4.518,1204 0.8,1205 11.778,1206 3.131,1207 1.961,1208 1.936,1209 2.08,1210 2.068,1211 1.428,1212 2.074,1213 1.94,1214 1.91,1215 2.053,1216 2.047,1217 1.279,1218 2.047,1219 1.853,1220 1.801,1221 2.023,1222 2.005,1223 1.208,1224 2.018,1225 1.671,1226 1.617,1227 1.878,1228 1.84,1229 1.119,1230 1.856,1231 1.43,1232 1.356,1233 1.651,1234 1.688,1235 0.854,1236 1.677,1237 1.381,1238 1.311,1239 1.567,1240 1.627,1241 0.825,1242 1.617,1243 1.275,1244 1.201,1245 1.551,1246 1.492,1247 0.715,1248 1.503,1249 1.207,1250 1.125,1251 1.513,1252 1.442,1253 0.608,1254 1.469,1255 4.344,1257 5.666,1258 3.045,1259 7.175,1260 5.283,1261 8.768,1262 7.286,1263 10.404,1265 2.136,1270 11.031,1271 8.207,1272 3.479,1276 2.493,1277 -0.603,1280 41.218,1281 97.082,1282 245.328,1283 329.276,1284 361.683,1285 371.193,1286 373.193,1287 53.346,1288 8.294,1289 82,1290 82,1291 28,1292 12.691,1293 4.459,1294 3.524,1295 50.507,1296 194,1297 168,1298 0.124,1299 251.212,1300 421.29,1301 604.718,1302 59574,1304 23.382,1305 0.688,1306 0.585,1307 23.382,1308 19.874,1309 16.595,1310 0.437,1311 0.322,1312 12.102,1313 16.052,1314 11.803,1315 9.764,1316 16.595,1317 12.246,1318 14.978,1319 0.283,1320 0.181,1321 14.978,1322 9.613,1323 12.813,1324 0.186,1325 0.104,1326 12.813,1327 7.206,1328 10.29,1329 0.12,1330 0.058,1331 10.29,1332 4.969,1333 7.873,1334 0.077,1335 0.034,1336 7.873,1337 3.487,1338 0.205,1339 103.212,1340 0.196,1341 32.524,1342 0.313,1343 182,1344 423.396,1345 195.259,1346 420.382,1347 587.46,1348 396,1349 213,1350 444.52,1351 227.676,1352 454.667,1353 657.57,1354 427,1355 8.398} {0 CHEMBL324931,1 1.423,2 10.13,3 1.622,4 2.631,5 94.337,6 6.899,7 0.577,8 3.918,9 4.067,10 3.446,11 3.393,12 4.909,13 3.373,14 4.488,15 4.708,16 3.772,17 3.82,18 5.36,19 3.773,20 4.697,21 4.934,22 3.698,23 3.982,24 5.473,25 3.861,26 4.82,27 5.097,28 3.584,29 3.979,30 5.53,31 3.806,32 4.775,33 5.1,34 3.485,35 3.798,36 5.435,37 3.634,38 4.432,39 4.685,40 3.488,41 3.667,42 5.231,43 3.568,44 4.481,45 4.734,46 3.437,47 3.662,48 5.306,49 3.537,50 4.488,51 4.796,52 3.173,53 3.514,54 5.199,55 3.351,56 0.06,57 0.741,58 10.472,59 3.576,60 9.511,61 5.525,62 0.257,63 1.172,64 19.898,65 5.741,66 15.77,67 9.245,68 0.221,69 1.322,70 24.477,71 8.616,72 17.275,73 13.089,74 0.167,75 1.344,76 28.272,77 10.258,78 22.156,79 15.695,80 0.315,81 1.185,82 28.344,83 8.705,84 25.002,85 13.988,86 0.156,87 1,88 19.018,89 6.018,90 14.642,91 9.582,92 0.224,93 1.026,94 20.054,95 6.438,96 19.226,97 10.09,98 0.242,99 0.91,100 21.08,101 6.046,102 20.575,103 9.956,104 2,105 36,106 0.246,107 0.578,108 0.723,109 0.784,110 0.814,111 0.814,112 3.188,113 0.941,114 -3.6,115 -3.57,116 -3.41,119 37.8,121 1,124 1,125 5,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 4,171 2,172 3,176 3,178 4,181 1,182 3,186 3,189 4,193 6,199 2,203 7,206 2,211 1,215 4,225 1,226 4,229 2,237 1,240 1,248 2,249 1,259 731,260 15.947,261 15.947,262 15.947,263 15.947,264 15.947,265 14.259,266 18.656,267 9.455,268 16.406,269 12.852,270 12.852,271 12.852,272 12.852,273 12.852,274 10.314,275 20.046,276 4.522,277 13.577,278 4.069,279 2.144,280 1.305,281 0.95,282 0.772,283 0.772,284 3.89,287 1,288 1,289 1,290 519,291 2.345,294 107.637,295 130,298 89.162,302 1.539,303 8.798,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49,315 233,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.954,327 6.096,328 3.692,329 2.756,330 3.732,331 0.8,332 8.885,333 2.58,334 3.626,335 2.868,336 5.421,337 3.533,338 2.611,339 2.82,341 7.172,342 2.404,343 3.419,344 2.486,345 5.121,346 3.077,347 2.141,348 2.626,350 6.019,351 2.018,352 3.25,353 2.137,354 4.878,355 2.905,356 1.956,357 2.566,359 5.624,360 1.838,361 3.079,362 1.792,363 4.514,364 2.724,365 1.77,366 2.093,368 4.654,369 1.685,370 2.729,371 1.317,372 4.123,373 2.251,374 1.274,375 1.83,377 3.43,378 1.243,379 2.403,380 1.146,381 3.414,382 1.967,383 1,384 1.362,386 2.275,387 0.965,388 2.147,389 1.032,390 3.368,391 1.931,392 0.972,393 1.021,395 2.215,396 0.929,397 2.118,398 0.824,399 3.257,400 1.736,401 0.776,402 1,404 1.847,405 0.743,406 2,407 0.618,408 3.086,409 1.518,410 0.618,411 0.927,413 1.372,414 0.556,415 1.697,416 0.538,417 3,418 1.425,419 0.461,420 0.567,422 1.121,423 0.443,424 0.963,425 0.019,426 2.437,427 0.8,428 -0.161,429 -0.171,431 -0.36,432 -0.155,433 0.753,434 -0.391,435 2.367,436 0.39,437 -0.57,438 -0.717,440 -1.432,441 -0.544,442 0.598,443 -0.6,444 2.059,445 0.15,446 -0.839,447 -1,449 -2.564,450 -0.827,451 10.9,452 0.474,453 0.465,454 0.02,455 28.25,456 1.228,457 12,458 0.522,459 16.25,460 0.707,461 18.129,462 0.788,463 25.1,464 0.558,465 17.982,466 0.782,467 5.651,468 0.246,469 5.641,470 0.245,471 0.046,473 0.294,479 0.916,480 1.617,481 0.838,482 1.238,483 0.646,484 1.06,485 1.407,486 0.956,487 0.995,488 0.805,489 0.82,490 0.839,491 0.961,492 1.015,493 1.125,494 1.131,495 0.77,496 1.146,497 0.577,498 1.135,499 0.969,500 1.221,501 0.662,502 1.158,503 0.732,504 0.73,505 0.738,506 0.736,507 0.711,508 0.737,509 1.03,510 1.112,511 0.952,512 1.008,513 0.891,514 0.976,515 0.887,516 1.155,517 1.099,518 1.216,519 1.03,520 1.19,521 1.057,522 0.904,523 0.995,524 0.92,525 1.232,526 0.945,527 4,528 0.044,529 2.667,530 0.757,531 0.886,532 0.614,533 0.332,534 0.166,535 0.176,536 0.112,537 6312,538 13731,539 2.196,540 48.9,542 16,543 1,544 2,545 1,547 2,550 1.655,551 2.123,552 3.321,553 -0.284,554 1,555 1,557 1,559 64.029,560 1.423,561 3.348,562 4.187,563 4.542,564 4.72,565 4.72,566 2.773,567 3.915,568 4.494,569 3.461,570 875.527,571 7.725,572 10019.3,574 1,576 1,577 247.133,578 1.121,579 4.483,580 0.154,581 0.004,582 0.074,583 0.024,584 0.033,585 0.025,586 0.013,587 0.007,588 0.01,589 0.007,590 0.35,591 0.5,592 1,593 0.393,594 108.22,595 0.116,596 -0.335,597 0.101,598 -0.147,599 0.257,600 -0.044,601 -0.156,602 0.212,603 -0.008,604 0.175,605 0.044,606 0.114,607 -0.128,608 0.042,609 -0.183,610 -0.08,611 -0.043,612 -0.13,613 0.055,614 -0.218,615 -0.031,616 -0.17,617 0.098,618 -0.121,619 0.14,620 0.105,621 0.253,622 0.217,623 0.18,624 0.245,625 -0.088,626 -0.087,627 0.014,629 0.001,630 0.017,631 0.089,632 -0.132,633 -0.132,634 -0.222,635 -0.032,636 -0.209,637 -0.044,638 -0.011,639 0.001,640 0.012,641 -0.149,642 0.012,643 0.567,644 0.888,645 0.87,646 19.58,647 0.993,648 1.14,649 2.371,650 5.622,651 0.647,652 3.296,653 3.611,654 3.892,655 4.143,656 4.317,657 4.407,658 4.533,659 4.691,660 4.736,661 4.762,662 5.952,663 0.608,664 310.45,665 3.296,666 4.828,667 5.68,668 6.55,669 7.418,670 8.292,671 9.167,672 10.046,673 10.925,674 11.807,675 13.3,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 45,716 15,717 1,718 26,720 48,721 17,722 10,723 3,724 3,730 4,731 5,743 1,745 10,746 7,760 1,761 1,764 22,765 4,766 1,767 6,773 6,777 0.75,788 1,792 2,793 2,796 1,815 2,819 3,823 1,827 23,833 6,838 2,844 1,854 10.833,855 8.25,856 5,857 2.73,858 2.795,859 1.384,860 1.021,861 4.06,862 10.08,863 3.541,864 4.135,865 4.754,866 5.365,867 5.799,868 6.238,869 6.713,870 7.162,871 7.362,872 7.593,873 0.857,874 32,875 8.481,877 3.552,878 7.42,879 16.856,881 14.092,883 1.92,884 44.167,885 0.001,888 247.193,889 86.832,890 58.259,895 86.832,896 247.193,897 58.259,898 8.396,899 13.063,900 37.476,901 74.105,902 33.449,903 13.915,904 211.88,906 247.193,907 145.091,911 223.651,912 23.542,915 55.233,916 56.532,917 33.326,919 247.193,920 58.259,921 86.832,924 247.193,925 23.722,926 71.257,927 16.786,928 33.326,929 247.193,930 58.259,931 86.832,933 0.58,934 0.337,935 0.179,936 0.092,937 19,938 7,939 0.083,940 4,941 1,942 1.1,943 3.697,944 185.306,945 0.1,946 20,947 96.042,951 14.729,952 6.34,953 3.119,954 2.487,955 39.575,956 12.053,957 7.774,958 3.388,961 2.483,962 1.941,963 16.786,964 392.285,965 33.5,975 44.68,976 51.311,977 0.259,978 0.61,979 0.762,980 0.827,981 0.859,982 0.859,983 4.769,984 1,985 5.645,986 3.43,987 4.29,988 4.82,989 1.072,990 6.428,991 4.19,992 5.95,993 0.972,994 7.182,995 2.275,996 3.761,997 4.543,998 0.57,999 7.261,1000 3.609,1001 7.241,1002 0.776,1003 8.816,1004 2.215,1005 5.855,1006 7.028,1007 0.653,1008 10.347,1009 5.667,1010 8.574,1011 0.618,1012 10.511,1013 1.847,1014 6.196,1015 7.716,1016 0.479,1017 12.053,1018 5.971,1019 9.944,1020 0.461,1021 12.246,1022 1.372,1023 7.7,1024 9.596,1025 0.432,1026 14.631,1027 7.446,1028 11.342,1029 -0.161,1030 14.009,1031 1.121,1032 8.441,1033 10.728,1034 0.346,1035 16.695,1036 8.165,1037 12.762,1038 -0.57,1039 15.793,1040 -0.36,1041 9.709,1042 12.375,1043 0.291,1044 19.106,1045 9.408,1046 3.119,1047 -0.839,1048 17.592,1049 -1.432,1050 10.643,1051 13.711,1052 0.237,1053 21.321,1054 10.33,1055 2.756,1056 10.433,1057 19.404,1058 -2.564,1059 11.813,1060 15.265,1061 0.195,1062 23.676,1063 11.482,1064 2.611,1065 8.885,1066 21.226,1067 4.518,1068 12.841,1069 16.692,1070 0.158,1071 25.957,1072 12.501,1073 2.141,1074 7.172,1075 23.056,1076 3.732,1077 13.974,1078 18.212,1079 0.129,1080 28.294,1081 13.62,1082 1.956,1083 6.019,1084 24.893,1085 2.82,1086 15.048,1087 19.68,1088 0.104,1089 30.604,1090 14.685,1091 1.77,1092 5.624,1093 26.735,1094 2.626,1095 16.169,1096 21.187,1097 0.084,1098 32.938,1099 15.795,1100 1.274,1101 4.654,1102 28.582,1103 2.566,1104 17.266,1105 22.674,1106 0.068,1107 35.262,1108 16.884,1109 5875,1110 8824,1111 18.087,1112 29.125,1113 39.407,1114 38.615,1115 39.228,1116 38.921,1117 38.909,1118 50.122,1119 3.2,1120 110.094,1121 36.935,1122 5.569,1123 5.202,1124 6.163,1125 5.167,1126 5.119,1127 7.518,1128 1.2,1129 17.104,1130 5.062,1131 6.369,1132 1.516,1133 1.485,1134 1.509,1135 1.497,1136 1.497,1137 1.928,1138 0.123,1139 4.234,1140 1.421,1141 4.152,1142 4.19,1143 4.112,1144 4.06,1145 5.135,1146 4.068,1147 3.852,1148 3.93,1149 3.791,1150 3.644,1151 4.927,1152 3.658,1153 3.814,1154 3.891,1155 3.715,1156 3.569,1157 4.403,1158 3.607,1159 3.451,1160 3.526,1161 3.32,1162 3.291,1163 4.254,1164 3.291,1165 3.26,1166 3.34,1167 3.136,1168 3.047,1169 3.981,1170 3.056,1171 3.111,1172 3.206,1173 2.88,1174 2.941,1175 3.763,1176 2.91,1177 3.071,1178 3.175,1179 2.866,1180 2.844,1181 3.513,1182 2.838,1183 2.87,1184 2.943,1185 2.683,1186 2.734,1187 3.474,1188 2.712,1189 0.176,1190 0.123,1191 0.253,1192 0.158,1193 0.12,1194 4.569,1195 0.174,1196 3.202,1197 0.031,1198 6.566,1199 0.401,1200 4.1,1201 0.118,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.96,1208 1.935,1209 2.048,1210 2.059,1211 1.339,1212 2.058,1213 1.796,1214 1.724,1215 1.995,1216 2.018,1217 1.212,1218 2.017,1219 1.601,1220 1.542,1221 1.802,1222 1.789,1223 1.028,1224 1.797,1225 1.395,1226 1.326,1227 1.566,1228 1.651,1229 0.825,1230 1.627,1231 1.243,1232 1.153,1233 1.513,1234 1.504,1235 0.66,1236 1.516,1237 1.153,1238 1.064,1239 1.511,1240 1.442,1241 0.584,1242 1.429,1243 1.078,1244 0.982,1245 1.382,1246 1.376,1247 0.513,1248 1.379,1249 1.048,1250 0.945,1251 1.219,1252 1.31,1253 0.23,1254 1.348,1255 3.97,1257 5.283,1258 3.045,1259 6.781,1260 5.283,1261 8.363,1262 7.286,1263 9.991,1265 2.198,1271 6.889,1276 4.954,1280 27.343,1281 64.029,1282 150.656,1283 188.404,1284 204.379,1285 212.379,1286 212.379,1287 23.279,1288 7.286,1289 52.98,1290 52.98,1291 22,1292 12.342,1293 4,1294 3.087,1295 31.958,1296 81,1297 87,1298 0.191,1299 167.468,1300 270.68,1301 400.382,1302 14358,1304 15.648,1305 0.68,1306 0.584,1307 15.648,1308 13.443,1309 11.293,1310 0.434,1311 0.314,1312 8.013,1313 10.767,1314 7.822,1315 6.467,1316 11.293,1317 8.154,1318 10.082,1319 0.28,1320 0.175,1321 10.082,1322 6.308,1323 8.75,1324 0.182,1325 0.099,1326 8.75,1327 4.761,1328 7.163,1329 0.116,1330 0.052,1331 7.163,1332 3.218,1333 5.525,1334 0.075,1335 0.031,1336 5.525,1337 2.284,1338 0.3,1339 71.095,1340 0.235,1341 22.737,1342 0.521,1343 124,1344 304.558,1345 134.852,1346 300.019,1347 422.74,1348 284,1349 146,1350 324.124,1351 158.684,1352 330.38,1353 477.93,1354 309,1355 6.873} {0 CHEMBL325131,1 1.484,2 13.067,3 2.885,4 8.321,5 121.101,6 6.715,7 0.364,8 4.198,9 4.337,10 3.688,11 3.658,12 5.182,13 3.634,14 4.781,15 4.995,16 4.019,17 4.054,18 5.698,19 4.007,20 5.031,21 5.261,22 4.093,23 4.263,24 5.894,25 4.172,26 5.142,27 5.388,28 4.029,29 4.289,30 6.015,31 4.161,32 5.169,33 5.443,34 3.976,35 4.233,36 6.031,37 4.104,38 5.027,39 5.282,40 3.885,41 4.152,42 5.866,43 4.018,44 4.987,45 5.264,46 3.82,47 4.043,48 5.865,49 3.905,50 4.901,51 5.18,52 3.736,53 3.875,54 5.837,55 3.784,56 0.037,57 0.924,58 14.454,59 5.163,60 8.694,61 7.747,62 0.422,63 1.471,64 27.657,65 7.904,66 28.143,67 12.569,68 0.431,69 1.789,70 35.33,71 11.354,72 28.48,73 17.304,74 0.348,75 1.84,76 39.617,77 13.548,78 43.481,79 20.161,80 0.618,81 1.782,82 41.819,83 12.908,84 58.59,85 19.673,86 0.451,87 1.623,88 35.609,89 11.744,90 37.408,91 17.748,92 0.44,93 1.509,94 34.395,95 10.847,96 45.925,97 16.913,98 0.463,99 1.313,100 32.535,101 8.427,102 51.293,103 13.451,104 11,105 45,106 0.241,107 0.486,108 0.627,109 0.746,110 0.811,111 0.811,112 3.44,113 0.965,114 -3.3,115 -3.28,116 -3.15,119 37.7,124 2,125 8,140 8,142 4,157 1,169 5,171 1,172 4,174 2,176 2,178 5,181 3,182 5,186 1,189 3,193 6,195 1,202 1,203 5,206 2,214 3,215 3,225 2,226 6,229 1,231 2,237 3,242 2,248 3,249 1,254 1,256 4,259 1504,260 20.593,261 20.593,262 20.593,263 20.593,264 20.593,265 19.037,266 32.587,267 12.209,268 21.255,269 16.224,270 16.224,271 16.224,272 16.224,273 16.224,274 13.805,275 50.526,276 5.723,277 17.168,278 4.446,279 2.945,280 2.074,281 1.345,282 0.943,283 0.943,284 4.139,288 1,289 1,290 852,291 3,295 430.014,302 2.004,303 20.005,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64.5,315 392,316 4.354,317 3.692,318 6.521,319 4.007,320 3.059,321 3.963,322 1.701,323 10.269,324 2.899,325 4.098,326 3.301,327 6.168,328 3.85,329 2.911,330 3.551,331 0.86,332 9.12,333 2.731,334 3.948,335 3.095,336 6.011,337 3.662,338 2.712,339 3.175,340 0.8,341 8.573,342 2.569,343 3.587,344 2.78,345 5.351,346 3.394,347 2.462,348 2.796,349 0.8,350 6.876,351 2.294,352 3.426,353 2.448,354 5.207,355 3.157,356 2.214,357 2.529,358 0.8,359 6.409,360 2.081,361 3.2,362 2.401,363 4.923,364 2.883,365 1.968,366 2.378,367 0.563,368 5.603,369 1.827,370 3.101,371 2.271,372 4.521,373 2.837,374 1.868,375 2.18,376 0.075,377 4.687,378 1.773,379 2.736,380 1.877,381 4.056,382 2.369,383 1.379,384 1.758,386 3.391,387 1.356,388 2.5,389 1.335,390 3.955,391 2.109,392 1.137,393 1.5,395 3.043,396 1.103,397 2.468,398 1.225,399 3.486,400 2,401 1.029,402 1.46,404 2.573,405 1,406 2.309,407 1.146,408 3.414,409 1.994,410 1,411 1.242,413 2.275,414 0.986,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.095,426 3.247,427 1.967,428 1,429 1,431 2.136,432 0.965,433 1.794,434 1,435 3.014,436 1.511,437 0.625,438 0.702,440 1.103,441 0.547,442 1.139,443 0.535,444 2.737,445 0.82,446 -0.112,447 -0.124,449 -0.209,450 -0.103,451 14.167,452 0.472,453 0.623,454 0.021,455 36.25,456 1.208,457 15.5,458 0.517,459 20.75,460 0.692,461 26.578,462 0.886,463 33.833,464 0.555,465 27.716,466 0.924,467 7.416,468 0.247,469 7.219,470 0.241,471 0.094,473 0.289,479 0.873,480 1.715,481 0.874,482 1.317,483 0.59,484 1.123,485 1.227,486 1.051,487 1.009,488 0.854,489 0.618,490 0.877,491 1.043,492 1.023,493 1.085,494 1.035,495 0.849,496 1.048,497 1.02,498 1.188,499 1.055,500 1.201,501 1.288,502 1.15,503 1.194,504 0.868,505 0.99,506 0.879,507 1.452,508 0.908,509 0.962,510 1.093,511 1.049,512 1.108,513 0.922,514 1.099,515 0.696,516 1.093,517 0.891,518 1.068,519 0.82,520 1.01,521 1.702,522 0.871,523 0.988,524 0.754,525 2.051,526 0.768,527 5.5,528 0.12,529 3.556,530 1.625,531 1.369,532 0.972,533 0.725,534 0.557,535 0.287,536 0.128,537 12937,538 28250,539 2.107,540 50.8,542 30,545 1,550 1.726,551 2,552 3.652,553 -0.349,555 1,559 90.543,560 1.484,561 2.986,562 3.856,563 4.586,564 4.988,565 4.988,566 3.111,567 4.165,568 4.877,569 3.819,570 1661.19,571 8.493,572 23711.5,574 1,577 361.775,578 1.295,579 4.851,580 0.167,581 0.005,582 0.079,583 0.035,584 0.033,585 0.024,586 0.02,587 0.017,588 0.009,589 0.005,590 0.393,591 0.5,592 1,593 0.659,594 156.18,595 0.004,596 -0.411,597 0.086,598 -0.173,599 0.012,600 -0.055,601 -0.04,602 0.134,603 0.009,604 0.124,605 0.07,606 0.083,607 -0.052,608 0.092,609 -0.099,610 -0.028,611 -0.026,612 -0.059,613 -0.039,614 -0.189,615 -0.081,616 -0.176,617 -0.058,618 -0.142,619 -0.022,620 0.076,621 0.016,622 0.077,623 -0.086,624 0.054,625 0.039,626 -0.1,627 -0.068,628 -0.108,629 -0.029,630 -0.107,631 0.213,632 -0.138,633 0.087,634 -0.101,635 0.179,636 -0.031,637 -0.191,638 0.057,639 0.068,640 0.131,641 -0.072,642 0.139,643 1.711,644 5.84,645 0.8,646 32.693,647 0.994,648 1.136,649 2.066,650 4.269,651 0.637,652 3.526,653 3.829,654 4.094,655 4.317,656 4.564,657 4.585,658 4.71,659 4.771,660 4.796,661 4.844,662 7.504,663 0.596,664 409.59,665 3.526,666 5.056,667 5.9,668 6.763,669 7.621,670 8.488,671 9.352,672 10.221,673 11.087,674 11.957,675 8.2,678 1,681 2,682 2,688 8,693 4,695 12,709 2,712 1,714 61,716 13,717 2,718 33,720 64,721 23,722 12,723 4,724 8,730 4,731 4,735 1,745 13,746 10,750 1,755 1,759 1,761 1,764 31,765 7,766 1,767 7,773 5,777 1,778 2,793 4,815 1,819 4,823 2,827 30,833 8,834 1,835 1,838 4,847 3.3,850 1,852 1,854 15,855 11.3,856 6.694,857 3.643,858 2.062,859 1.27,860 0.976,861 6.897,862 9.701,863 3.714,864 4.205,865 4.682,866 5.145,867 5.614,868 5.667,869 5.941,870 6.112,871 6.207,872 6.387,873 0.889,874 47,875 11.134,877 4.624,878 7.544,879 21.849,881 17.88,883 2.044,884 61.333,887 1,888 353.133,889 129.725,890 30.508,892 36.145,895 129.725,896 389.278,897 30.508,898 19.279,899 37.981,900 75.81,901 25.145,902 33.887,903 4.276,904 353.133,906 353.133,907 160.233,908 36.145,911 353.133,912 36.145,915 41.105,916 119.128,919 353.133,920 66.653,921 129.725,924 353.133,925 34.635,926 107.587,927 18.011,928 36.145,929 353.133,930 66.653,931 129.725,933 0.575,934 0.34,935 0.18,936 0.102,937 21,938 9,939 0.063,940 4,942 1,943 4.226,944 261.59,946 24,947 135.207,951 21.128,952 9.794,953 5.152,955 66.653,956 16.25,961 3.899,963 18.011,964 549.51,965 40,970 12.84,974 -0.044,975 60.65,976 69.308,977 0.25,978 0.504,979 0.65,980 0.773,981 0.841,982 0.841,983 4.956,984 1.379,985 5.866,986 4.687,987 4.511,988 4.89,989 2.379,990 6.645,991 4.403,992 6.104,993 1.137,994 7.405,995 3.391,996 4.007,997 4.511,998 1.577,999 7.486,1000 3.814,1001 7.375,1002 1.029,1003 9.043,1004 3.043,1005 6.075,1006 6.9,1007 2.694,1008 10.558,1009 5.851,1010 8.676,1011 1,1012 10.74,1013 2.573,1014 6.399,1015 7.334,1016 2.548,1017 12.231,1018 6.085,1019 10.01,1020 1,1021 12.475,1022 2.275,1023 7.908,1024 9.213,1025 3.441,1026 14.802,1027 7.568,1028 11.366,1029 1,1030 14.235,1031 2.275,1032 8.618,1033 10.038,1034 3.624,1035 16.821,1036 8.195,1037 12.74,1038 0.625,1039 16.015,1040 2.136,1041 9.888,1042 11.688,1043 4.372,1044 19.216,1045 9.432,1046 3.059,1047 -0.112,1048 17.808,1049 1.103,1050 10.79,1051 12.729,1052 4.72,1053 21.388,1054 10.259,1055 2.911,1056 10.269,1057 19.612,1058 -0.209,1059 11.955,1060 14.258,1061 5.376,1062 23.719,1063 11.384,1064 2.712,1065 9.12,1066 21.425,1067 3.963,1068 12.952,1069 15.424,1070 5.809,1071 25.962,1072 12.314,1073 2.462,1074 8.573,1075 23.244,1076 3.551,1077 14.072,1078 16.885,1079 6.41,1080 28.272,1081 13.388,1082 2.214,1083 6.876,1084 25.069,1085 3.175,1086 15.117,1087 18.128,1088 6.887,1089 30.549,1090 14.371,1091 1.968,1092 6.409,1093 26.899,1094 2.796,1095 16.219,1096 19.549,1097 7.458,1098 32.855,1099 15.424,1100 1.868,1101 5.603,1102 28.733,1103 2.529,1104 17.289,1105 20.84,1106 7.96,1107 35.149,1108 16.435,1109 12210,1110 18176,1111 22.364,1112 38.836,1113 49.103,1114 49.858,1115 50.235,1116 48.772,1117 48.726,1118 58.468,1119 11.2,1120 136.666,1121 46.191,1122 5.354,1123 5.692,1124 6.323,1125 5.075,1126 5.059,1127 6.963,1128 2.972,1129 16.994,1130 4.899,1131 12.627,1132 1.488,1133 1.511,1134 1.522,1135 1.478,1136 1.477,1137 1.772,1138 0.339,1139 4.141,1140 1.4,1141 4.004,1142 4.05,1143 3.943,1144 3.883,1145 7.429,1146 3.891,1147 3.927,1148 3.972,1149 3.859,1150 3.833,1151 4.865,1152 3.834,1153 3.764,1154 3.828,1155 3.664,1156 3.566,1157 4.764,1158 3.579,1159 3.71,1160 3.767,1161 3.601,1162 3.541,1163 4.424,1164 3.547,1165 3.358,1166 3.41,1167 3.274,1168 3.075,1169 4.35,1170 3.119,1171 3.211,1172 3.303,1173 3.03,1174 2.941,1175 4.262,1176 2.94,1177 3.166,1178 3.243,1179 3.007,1180 2.941,1181 3.889,1182 2.922,1183 3.111,1184 3.206,1185 2.866,1186 2.94,1187 3.772,1188 2.91,1189 0.132,1190 0.112,1191 0.198,1192 0.121,1193 0.093,1194 4.354,1195 0.12,1196 3.692,1197 0.052,1198 6.521,1199 0.311,1200 4.007,1201 0.088,1202 3.059,1203 3.963,1204 1.701,1205 10.269,1206 2.899,1207 1.924,1208 1.89,1209 2.051,1210 2.08,1211 1.306,1212 2.072,1213 1.908,1214 1.874,1215 2.032,1216 2.048,1217 1.293,1218 2.048,1219 1.718,1220 1.65,1221 1.912,1222 1.921,1223 1.052,1224 1.922,1225 1.68,1226 1.616,1227 1.879,1228 1.86,1229 1.023,1230 1.87,1231 1.244,1232 1.186,1233 1.573,1234 1.562,1235 0.825,1236 1.554,1237 1.174,1238 1.074,1239 1.54,1240 1.475,1241 0.825,1242 1.497,1243 1.153,1244 1.064,1245 1.513,1246 1.399,1247 0.641,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.576,1254 1.429,1255 4.205,1257 5.509,1259 7.018,1261 8.612,1263 10.246,1265 3.835,1271 7.04,1272 3.082,1273 5.572,1276 8.86,1280 36.385,1281 90.543,1282 182.158,1283 235.246,1284 279.736,1285 304.265,1286 304.265,1287 44.804,1288 7.64,1289 51.29,1290 51.29,1291 24,1292 12.501,1293 3.807,1294 3,1295 47.229,1296 136,1297 134,1298 0.168,1299 223.293,1300 389.32,1301 536.595,1302 23179,1304 20.924,1305 0.697,1306 0.596,1307 20.924,1308 17.881,1309 14.635,1310 0.443,1311 0.322,1312 10.419,1313 13.94,1314 10.145,1315 8.393,1316 14.635,1317 10.613,1318 12.817,1319 0.285,1320 0.176,1321 12.817,1322 7.917,1323 10.99,1324 0.186,1325 0.101,1326 10.99,1327 5.962,1328 8.881,1329 0.12,1330 0.055,1331 8.881,1332 4.071,1333 7.36,1334 0.077,1335 0.031,1336 7.36,1337 2.948,1338 0.269,1339 92.335,1340 0.211,1341 28.734,1342 0.445,1343 156,1344 414.384,1345 172.305,1346 395.616,1347 545.02,1348 374,1349 182,1350 400.647,1351 199.806,1352 406.006,1353 591.58,1354 380,1355 6.469} {0 CHEMBL325175,1 1.383,2 13.258,3 4.416,4 19.505,5 126.686,6 6.797,7 0.457,8 4.197,9 4.331,10 3.702,11 3.757,12 5.172,13 3.715,14 4.772,15 4.964,16 4.065,17 4.192,18 5.691,19 4.119,20 5.05,21 5.28,22 4.067,23 4.346,24 5.889,25 4.225,26 5.13,27 5.383,28 3.978,29 4.317,30 5.998,31 4.172,32 5.089,33 5.37,34 3.956,35 4.237,36 5.917,37 4.102,38 4.93,39 5.158,40 3.955,41 4.225,42 5.788,43 4.105,44 4.991,45 5.241,46 3.826,47 4.212,48 5.806,49 4.058,50 4.945,51 5.229,52 3.654,53 4.072,54 5.707,55 3.895,56 0.062,57 0.907,58 13.897,59 5.621,60 8.667,61 7.985,62 0.31,63 1.528,64 26.006,65 9.63,66 23.612,67 14.027,68 0.25,69 1.873,70 34.982,71 13.253,72 26.279,73 19.206,74 0.307,75 1.917,76 38.717,77 14.36,78 46.779,79 20.747,80 0.355,81 1.796,82 37.834,83 13.671,84 47.89,85 19.896,86 0.215,87 1.658,88 30.962,89 11.807,90 29.39,91 17.077,92 0.245,93 1.716,94 33.315,95 12.477,96 33.806,97 18.264,98 0.267,99 1.552,100 32.491,101 12.177,102 34.473,103 17.817,104 5,105 49,106 0.222,107 0.583,108 0.79,109 0.874,110 0.882,111 0.882,112 3.472,113 0.967,114 -4.49,115 -4.42,116 -4.16,119 42.6,121 4,124 1,125 3,127 1,134 1,135 1,140 8,141 3,142 1,149 1,150 1,157 1,169 14,171 1,172 5,174 2,176 5,178 16,182 2,186 5,189 15,193 8,197 4,199 10,203 8,206 1,208 3,211 6,215 7,220 4,222 9,226 5,231 2,233 10,237 5,240 1,242 2,244 10,249 1,254 1,256 9,259 1677,260 21.378,261 21.378,262 21.378,263 21.378,264 21.378,265 19.145,266 23.405,267 12.602,268 21.693,269 17.291,270 17.291,271 17.291,272 17.291,273 17.291,274 13.91,275 27.959,276 6.007,277 17.779,278 4.548,279 2.3,280 1.008,281 0.484,282 0.439,283 0.439,284 4.183,288 1,289 1,290 917,291 3.082,294 163.527,295 298.805,298 134.545,302 2.202,303 17.699,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 411,316 4.572,317 3.695,318 6.578,319 4.123,320 3.135,321 4.516,322 1.706,323 10.485,324 3.098,325 4.147,326 3.239,327 6.146,328 3.855,329 2.89,330 3.564,331 0.8,332 9.043,333 2.798,334 4.008,335 3.043,336 6.041,337 3.746,338 2.796,339 3.484,340 0.728,341 8.65,342 2.655,343 3.82,344 2.894,345 5.991,346 3.634,347 2.657,348 3.022,349 0.167,350 8.492,351 2.58,352 3.738,353 2.562,354 5.32,355 3.373,356 2.402,357 2.886,359 6.872,360 2.328,361 3.342,362 2.304,363 5.111,364 2.947,365 1.963,366 2.611,368 5.924,369 1.929,370 3.113,371 2.112,372 4.495,373 2.67,374 1.684,375 2.301,377 4.538,378 1.654,379 2.891,380 1.607,381 4.21,382 2.438,383 1.458,384 2.041,386 3.696,387 1.428,388 2.707,389 1.519,390 4.04,391 2.313,392 1.337,393 1.783,395 3.429,396 1.302,397 2.5,398 1.454,399 3.947,400 2.161,401 1.19,402 1.5,404 3.063,405 1.149,406 2.488,407 1.388,408 3.53,409 2.096,410 1.114,411 1.405,413 2.723,414 1.09,415 2.334,416 1.233,417 3.417,418 2.035,419 1.048,420 1.3,422 2.382,423 1.03,424 2.137,425 1.14,426 3.414,427 2,428 1,429 1.12,431 2.275,432 1,433 2.079,434 1,435 3.253,436 1.984,437 1,438 1.039,440 2.136,441 0.983,442 2.018,443 0.745,444 3.247,445 1.617,446 0.655,447 0.889,449 1.602,450 0.629,451 14.933,452 0.482,453 0.674,454 0.022,455 37.75,456 1.218,457 17.5,458 0.565,459 20.25,460 0.653,461 28.21,462 0.91,463 33.067,464 0.542,465 27.315,466 0.881,467 7.289,468 0.235,469 7.88,470 0.254,471 0.056,473 0.321,479 0.848,480 1.338,481 0.871,482 1.075,483 0.581,484 0.986,485 0.847,486 1.043,487 0.972,488 0.958,489 0.52,490 0.964,491 1.004,492 1.099,493 1.075,494 1.094,495 0.821,496 1.087,497 1.173,498 1.087,499 1.077,500 1.096,501 1.319,502 1.084,503 1.117,504 0.824,505 0.831,506 0.796,507 1.31,508 0.793,509 0.994,510 1.153,511 1.055,512 1.11,513 0.917,514 1.091,515 0.957,516 1.123,517 1.154,518 1.16,519 0.771,520 1.168,521 0.835,522 0.967,523 0.974,524 1.013,525 0.877,526 1.01,527 5.5,528 0.096,529 3.778,530 1.736,531 1.217,532 1.056,533 0.566,534 0.299,535 0.341,536 0.192,537 15099,538 30944,539 2.18,540 49.2,542 19,543 1,545 2,547 8,550 1.733,551 2.09,552 3.677,553 0.129,555 1,559 84.357,560 1.383,561 3.631,562 4.922,563 5.447,564 5.492,565 5.492,566 3.155,567 4.543,568 4.923,569 3.878,570 1803.32,571 8.578,572 26473,574 1,577 361.775,578 1.215,579 4.907,580 0.157,581 0.004,582 0.077,583 0.037,584 0.03,585 0.025,586 0.013,587 0.009,588 0.012,589 0.007,590 0.371,591 0.33,592 0.88,593 0.415,594 163.44,595 -0.005,596 -0.138,597 0.069,598 -0.016,600 0.025,601 0.142,602 0.102,603 -0.001,604 0.043,605 0.101,606 0.014,607 -0.089,608 -0.061,609 -0.106,610 -0.093,611 -0.017,612 -0.097,613 -0.078,614 -0.115,615 -0.089,616 -0.109,617 -0.043,618 -0.102,619 0.014,620 0.112,621 0.172,622 0.175,623 -0.007,624 0.185,625 -0.071,626 -0.123,627 -0.086,628 -0.105,629 -0.042,630 -0.099,631 -0.104,632 -0.117,633 -0.185,634 -0.171,635 -0.041,636 -0.181,637 0.029,638 -0.036,639 0.006,640 -0.033,641 0.005,642 -0.019,643 1.703,644 5.564,645 0.839,646 36.37,647 0.987,648 1.125,649 3.263,650 10.649,651 0.662,652 3.584,653 3.912,654 4.205,655 4.454,656 4.644,657 4.754,658 4.942,659 5.081,660 5.193,661 5.333,662 7.803,663 0.617,664 414.6,665 3.584,666 5.13,667 5.989,668 6.864,669 7.736,670 8.616,671 9.493,672 10.377,673 11.258,674 12.144,675 6.6,678 1,682 2,683 1,687 2,688 9,690 1,693 3,695 16,714 61,716 18,717 2,718 35,720 65,721 26,722 14,723 4,724 8,725 2,730 5,731 6,735 1,740 4,743 5,745 17,746 9,750 2,755 1,757 1,759 2,761 1,764 30,765 4,766 2,767 5,773 4,777 0.8,778 1,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,823 1,827 31,833 7,834 1,837 1,838 2,847 1.6,850 1,854 14.833,855 10.983,856 6.722,857 3.839,858 3.296,859 1.4,860 1.022,861 5.839,862 11.527,863 3.829,864 4.404,865 4.972,866 5.533,867 6.03,868 6.35,869 6.794,870 7.175,871 7.341,872 7.666,873 0.889,874 47,875 11.515,877 4.932,878 7.484,879 22.839,881 19.54,883 1.984,884 61.5,887 1,888 329.591,889 140.492,890 41.045,892 25.145,895 140.492,896 354.736,897 41.045,898 8.396,899 37.59,900 94.334,901 25.145,902 34.796,903 18.191,904 317.82,906 329.591,907 181.537,908 25.145,911 235.422,912 119.314,915 57.5,916 114.56,917 9.476,919 329.591,920 66.19,921 140.492,924 329.591,925 37.762,926 108.979,927 34.796,928 25.145,929 329.591,930 66.19,931 140.492,933 0.583,934 0.344,935 0.182,936 0.092,937 25,938 10,939 0.062,940 4,941 1,942 1.077,943 4.408,944 282.154,945 0.077,946 26,947 147.58,951 20.35,952 8.895,953 4.413,954 2.544,955 49.404,956 18.557,958 3.453,961 3.521,963 34.796,964 536.272,965 45,970 12.564,972 2.201,974 1.293,975 60.221,976 68.6,977 0.233,978 0.612,979 0.83,980 0.918,981 0.926,982 0.926,983 5.075,984 1.458,985 5.964,986 4.538,987 4.595,988 5.091,989 2.072,990 6.763,991 4.542,992 6.26,993 1.337,994 7.514,995 3.696,996 4.111,997 4.82,998 1.404,999 7.618,1000 4.021,1001 7.556,1002 1.19,1003 9.163,1004 3.429,1005 6.18,1006 7.247,1007 2.586,1008 10.709,1009 6.072,1010 8.887,1011 1.114,1012 10.87,1013 3.063,1014 6.553,1015 7.868,1016 2.512,1017 12.404,1018 6.409,1019 10.253,1020 1.048,1021 12.615,1022 2.723,1023 8.048,1024 9.749,1025 3.421,1026 14.979,1027 7.891,1028 11.643,1029 1,1030 14.386,1031 2.382,1032 8.807,1033 10.805,1034 3.634,1035 17.014,1036 8.619,1037 13.051,1038 1,1039 16.174,1040 2.275,1041 10.068,1042 12.461,1043 4.385,1044 19.412,1045 9.867,1046 3.135,1047 0.655,1048 17.975,1049 2.136,1050 11.007,1051 13.742,1052 4.744,1053 21.597,1054 10.783,1055 2.89,1056 10.485,1057 19.786,1058 1.602,1059 12.171,1060 15.303,1061 5.402,1062 23.935,1063 11.934,1064 2.796,1065 9.043,1066 21.604,1067 4.516,1068 13.196,1069 16.698,1070 5.84,1071 26.191,1072 12.941,1073 2.657,1074 8.65,1075 23.428,1076 3.564,1077 14.322,1078 18.22,1079 6.444,1080 28.513,1081 14.056,1082 2.402,1083 8.492,1084 25.257,1085 3.484,1086 15.39,1087 19.671,1088 6.926,1089 30.804,1090 15.109,1091 1.963,1092 6.872,1093 27.09,1094 3.022,1095 16.503,1096 21.18,1097 7.499,1098 33.125,1099 16.212,1100 1.684,1101 5.924,1102 28.927,1103 2.886,1104 17.593,1105 22.659,1106 8.004,1107 35.436,1108 17.291,1109 13861,1110 19994,1111 24.156,1112 40.375,1113 53.215,1114 53.841,1115 53.481,1116 52.673,1117 52.66,1118 66.919,1119 6.803,1120 150.621,1121 51.306,1122 5.513,1123 5.695,1124 6.38,1125 5.159,1126 5.135,1127 7.516,1128 2.981,1129 17.275,1130 5.098,1131 10.546,1132 1.52,1133 1.538,1134 1.528,1135 1.505,1136 1.505,1137 1.912,1138 0.194,1139 4.303,1140 1.466,1141 4.153,1142 4.187,1143 4.109,1144 4.077,1145 7.429,1146 4.081,1147 3.92,1148 3.962,1149 3.854,1150 3.828,1151 4.967,1152 3.827,1153 3.863,1154 3.924,1155 3.757,1156 3.735,1157 4.769,1158 3.734,1159 3.804,1160 3.856,1161 3.706,1162 3.666,1163 4.478,1164 3.667,1165 3.451,1166 3.496,1167 3.388,1168 3.295,1169 4.372,1170 3.304,1171 3.268,1172 3.319,1173 3.162,1174 3.066,1175 4.148,1176 3.092,1177 3.136,1178 3.249,1179 2.947,1180 2.912,1181 3.919,1182 2.909,1183 3.103,1184 3.189,1185 2.874,1186 2.899,1187 3.786,1188 2.877,1189 0.131,1190 0.106,1191 0.188,1192 0.118,1193 0.09,1194 4.572,1195 0.129,1196 3.695,1197 0.049,1198 6.578,1199 0.3,1200 4.123,1201 0.089,1202 3.135,1203 4.516,1204 1.706,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.09,1210 2.08,1211 1.345,1212 2.084,1213 1.888,1214 1.856,1215 2.011,1216 1.995,1217 1.285,1218 2,1219 1.758,1220 1.712,1221 1.933,1222 1.903,1223 1.143,1224 1.915,1225 1.684,1226 1.628,1227 1.868,1228 1.87,1229 1.066,1230 1.872,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.05,1236 1.795,1237 1.408,1238 1.336,1239 1.627,1240 1.633,1241 0.749,1242 1.636,1243 1.228,1244 1.187,1245 1.435,1246 1.487,1247 0.693,1248 1.456,1249 1.088,1250 1.005,1251 1.406,1252 1.309,1253 0.513,1254 1.356,1255 4.263,1257 5.587,1258 3.045,1259 7.099,1260 5.352,1261 8.691,1262 7.38,1263 10.324,1265 2.241,1271 7.143,1272 2.982,1275 0.647,1276 4.355,1280 37.649,1281 84.357,1282 221.497,1283 300.265,1284 332.265,1285 335.02,1286 335.02,1287 42.929,1288 8.231,1289 51.37,1290 51.37,1291 28,1292 12.677,1293 4.248,1294 3.459,1295 43.872,1296 145,1297 146,1298 0.145,1299 228.031,1300 392.89,1301 548.156,1302 49201,1304 21.209,1305 0.684,1306 0.584,1307 21.209,1308 18.103,1309 15.17,1310 0.433,1311 0.322,1312 11.167,1313 14.765,1314 10.893,1315 9.005,1316 15.17,1317 11.278,1318 13.63,1319 0.278,1320 0.179,1321 13.63,1322 8.777,1323 11.965,1324 0.181,1325 0.103,1326 11.965,1327 6.787,1328 9.889,1329 0.116,1330 0.057,1331 9.889,1332 4.878,1333 7.618,1334 0.074,1335 0.031,1336 7.618,1337 3.205,1338 0.234,1339 93.693,1340 0.203,1341 29.601,1342 0.383,1343 168,1344 381.691,1345 178.651,1346 379.249,1347 532.8,1348 358,1349 199,1350 401.791,1351 210.152,1352 412.209,1353 603.18,1354 389,1355 9.347} {0 CHEMBL325359,1 1.435,2 14,3 4.398,4 19.342,5 138.583,6 6.531,7 0.316,8 4.347,9 4.486,10 3.817,11 3.83,12 5.275,13 3.794,14 4.957,15 5.171,16 4.169,17 4.26,18 5.817,19 4.196,20 5.231,21 5.466,22 4.27,23 4.481,24 6.042,25 4.377,26 5.336,27 5.581,28 4.225,29 4.511,30 6.167,31 4.377,32 5.368,33 5.637,34 4.169,35 4.47,36 6.184,37 4.332,38 5.278,39 5.538,40 4.066,41 4.413,42 6.046,43 4.257,44 5.277,45 5.573,46 3.973,47 4.3,48 6.045,49 4.129,50 5.146,51 5.449,52 3.886,53 4.083,54 5.984,55 3.964,56 0.061,57 1.07,58 17.263,59 6.388,60 9.495,61 9.498,62 0.446,63 1.759,64 33.119,65 10.337,66 29.308,67 16.069,68 0.466,69 2.19,70 43.248,71 14.771,72 31.431,73 22.276,74 0.396,75 2.284,76 47.934,77 16.909,78 46.435,79 25.133,80 0.667,81 2.249,82 50.404,83 16.293,84 60.013,85 24.723,86 0.503,87 2.105,88 45.453,89 15.774,90 40.328,91 23.697,92 0.529,93 1.987,94 45.664,95 14.918,96 49.77,97 23.205,98 0.526,99 1.664,100 41.148,101 11.088,102 50.846,103 17.853,104 11,105 53,106 0.226,107 0.485,108 0.678,109 0.771,110 0.831,111 0.84,112 3.56,113 0.999,114 -4.12,115 -4.07,116 -3.85,119 38,121 4,124 2,125 8,140 6,141 2,142 4,157 1,169 10,171 1,172 4,174 2,176 2,178 12,181 3,182 6,186 1,189 10,193 8,195 1,199 5,202 1,203 6,206 2,211 2,214 3,215 4,225 2,226 8,229 1,231 2,237 5,242 3,248 3,249 3,254 3,256 4,259 2056,260 23.455,261 23.455,262 23.455,263 23.455,264 23.455,265 21.898,266 36.464,267 13.769,268 24.113,269 18.695,270 18.695,271 18.695,272 18.695,273 18.695,274 16.14,275 50.721,276 6.434,277 19.634,278 4.715,279 3.067,280 1.838,281 1.247,282 0.866,283 0.81,284 4.271,289 1,290 1054,291 3.162,295 543.324,299 169.812,302 2.176,303 21.791,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 72.5,315 476,316 4.431,317 3.692,318 6.69,319 4.103,320 3.129,321 4.059,322 1.701,323 10.831,324 3.057,325 4.354,326 3.345,327 6.521,328 4.006,329 3.058,330 3.963,331 0.86,332 10.269,333 2.899,334 3.983,335 3.3,336 6.057,337 3.756,338 2.809,339 3.182,340 0.8,341 8.709,342 2.646,343 3.649,344 2.806,345 5.742,346 3.437,347 2.492,348 2.858,349 0.8,350 7.725,351 2.355,352 3.557,353 2.778,354 5.351,355 3.362,356 2.42,357 2.754,358 0.8,359 6.867,360 2.27,361 3.415,362 2.434,363 5.206,364 3.135,365 2.19,366 2.526,367 0.563,368 6.405,369 2.062,370 3.101,371 2.401,372 4.923,373 2.874,374 1.965,375 2.18,376 0.075,377 5.603,378 1.783,379 2.95,380 2.229,381 4.663,382 2.645,383 1.66,384 2.118,386 4.713,387 1.626,388 2.906,389 1.869,390 4.145,391 2.618,392 1.618,393 1.949,395 3.715,396 1.618,397 2.468,398 1.65,399 3.999,400 2.276,401 1.28,402 1.46,404 3.27,405 1.273,406 2.439,407 1.335,408 3.929,409 2.179,410 1.204,411 1.429,413 3.028,414 1.164,415 2.429,416 1.278,417 3.581,418 2.108,419 1.134,420 1.379,422 2.779,423 1.102,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 2,434 1.146,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 1.89,443 1.096,444 3.266,445 1.719,446 0.737,447 0.824,449 1.769,450 0.722,451 16.167,452 0.475,453 0.725,454 0.021,455 38.75,456 1.14,457 15.5,458 0.456,459 23.25,460 0.684,461 34.964,462 1.028,463 38.433,464 0.541,465 29.694,466 0.873,467 7.412,468 0.218,469 9.206,470 0.271,471 0.082,473 0.315,479 0.86,480 1.636,481 0.901,482 1.289,483 0.576,484 1.123,485 1.167,486 1.044,487 1.003,488 0.89,489 0.593,490 0.908,491 0.965,492 1.026,493 1.04,494 1.03,495 0.799,496 1.033,497 1.002,498 1.201,499 1.061,500 1.193,501 1.24,502 1.148,503 1.198,504 0.921,505 1.039,506 0.934,507 1.397,508 0.965,509 0.898,510 1.134,511 1.082,512 1.16,513 0.844,514 1.151,515 0.644,516 1.067,517 0.883,518 1.041,519 0.73,520 0.994,521 1.554,522 0.835,523 0.89,524 0.713,525 1.812,526 0.715,527 6,528 0.169,529 4.222,530 2.125,531 1.853,532 1.007,533 0.763,534 0.668,535 0.349,536 0.173,537 18842,538 36999,539 2.145,540 52.1,541 8,542 28,545 1,550 1.756,551 2.04,552 3.737,553 -0.392,559 101.891,560 1.435,561 3.083,562 4.311,563 4.903,564 5.283,565 5.34,566 3.201,567 4.536,568 5.061,569 3.933,570 2206.67,571 8.853,572 34687.4,577 436.632,578 1.286,579 5.033,580 0.158,581 0.006,582 0.08,583 0.037,584 0.036,585 0.021,586 0.018,587 0.018,588 0.01,589 0.005,590 0.387,591 0.5,592 0.75,593 0.608,594 184.351,595 0.021,596 -0.331,597 0.091,598 -0.125,599 0.034,600 -0.028,601 -0.009,602 0.141,603 0.024,604 0.12,605 0.085,606 0.084,607 -0.014,608 0.081,609 -0.048,610 -0.005,611 -0.002,612 -0.024,613 -0.032,614 -0.178,615 -0.08,616 -0.161,617 -0.046,618 -0.133,619 -0.034,620 0.063,621 -0.034,622 0.035,623 -0.081,624 0.005,625 0.04,626 -0.133,627 -0.105,628 -0.15,629 -0.015,630 -0.149,631 0.206,632 -0.134,633 0.088,634 -0.084,635 0.168,636 -0.021,637 -0.106,638 0.076,639 0.152,640 0.158,641 -0.002,642 0.187,643 1.691,644 6.073,645 0.824,646 38.616,647 0.99,648 1.135,649 2.891,650 8.355,651 0.635,652 3.664,653 3.989,654 4.29,655 4.554,656 4.82,657 4.86,658 5.004,659 5.118,660 5.182,661 5.204,662 8.182,663 0.591,664 463.69,665 3.664,666 5.209,667 6.071,668 6.95,669 7.825,670 8.708,671 9.588,672 10.472,673 11.354,674 12.238,675 7,678 1,681 2,682 2,688 6,693 6,695 12,709 2,712 1,714 71,716 13,717 2,718 38,720 75,721 27,722 12,723 6,724 6,730 5,731 6,735 1,740 4,743 4,745 13,746 14,750 1,755 1,759 1,764 37,765 7,766 1,767 7,773 5,777 0.8,778 2,793 5,797 1,815 1,819 4,823 2,827 34,833 12,834 1,835 1,838 4,847 2.8,850 1,852 1,854 16.667,855 13.133,856 7.5,857 4.546,858 2.308,859 1.276,860 0.991,861 7.399,862 10.671,863 3.829,864 4.344,865 4.86,866 5.355,867 5.837,868 5.971,869 6.242,870 6.446,871 6.578,872 6.67,873 1,874 57,875 12.67,877 5.353,878 7.461,879 25.25,881 21.344,883 1.961,884 66.667,888 423.76,889 127.281,890 30.508,892 36.145,895 127.281,896 459.904,897 30.508,898 19.279,899 48.119,900 56.857,901 25.145,902 40.258,903 4.276,904 423.76,906 423.76,907 157.789,908 36.145,911 423.76,912 36.145,915 51.243,916 106.546,919 423.76,920 66.653,921 127.281,924 423.76,925 51.144,926 88.634,927 18.011,928 36.145,929 423.76,930 66.653,931 127.281,933 0.579,934 0.349,935 0.191,936 0.108,937 26,938 11,939 0.053,940 4,941 1,942 1.071,943 4.549,944 321.534,945 0.071,946 28,947 164.974,951 23.617,952 10.652,953 5.281,955 66.653,956 12.682,961 7.138,963 18.011,964 617.694,965 45,970 13.073,974 -0.024,975 70.301,976 80.554,977 0.233,978 0.501,979 0.701,980 0.797,981 0.859,982 0.868,983 5.094,984 1.66,985 6.047,986 5.603,987 4.673,988 5.03,989 2.379,990 6.86,991 4.582,992 6.251,993 1.618,994 7.605,995 4.713,996 4.205,997 4.771,998 1.577,999 7.766,1000 4.049,1001 7.539,1002 1.28,1003 9.264,1004 3.715,1005 6.267,1006 7.089,1007 2.694,1008 10.869,1009 6.085,1010 8.86,1011 1.204,1012 10.982,1013 3.27,1014 6.635,1015 7.673,1016 2.548,1017 12.618,1018 6.392,1019 10.216,1020 1.134,1021 12.74,1022 3.028,1023 8.141,1024 9.482,1025 3.441,1026 15.23,1027 7.876,1028 11.597,1029 1,1030 14.525,1031 2.779,1032 8.899,1033 10.458,1034 3.624,1035 17.327,1036 8.585,1037 12.996,1038 1,1039 16.33,1040 2.275,1041 10.173,1042 12.056,1043 4.372,1044 19.772,1045 9.835,1046 3.129,1047 0.737,1048 18.149,1049 2.275,1050 11.12,1051 13.228,1052 4.72,1053 22.017,1054 10.742,1055 3.058,1056 10.831,1057 19.98,1058 1.769,1059 12.298,1060 14.727,1061 5.376,1062 24.405,1063 11.893,1064 2.809,1065 10.269,1066 21.82,1067 4.059,1068 13.335,1069 15.999,1070 5.809,1071 26.713,1072 12.895,1073 2.492,1074 8.709,1075 23.667,1076 3.963,1077 14.474,1078 17.448,1079 6.41,1080 29.082,1081 14.008,1082 2.42,1083 7.725,1084 25.521,1085 3.182,1086 15.555,1087 18.774,1088 6.887,1089 31.42,1090 15.057,1091 2.19,1092 6.867,1093 27.379,1094 2.858,1095 16.68,1096 20.197,1097 7.458,1098 33.784,1099 16.155,1100 1.965,1101 6.405,1102 29.242,1103 2.754,1104 17.782,1105 21.552,1106 7.96,1107 36.136,1108 17.228,1109 17412,1110 24562,1111 25.948,1112 45.12,1113 56.831,1114 58.016,1115 58.567,1116 56.672,1117 56.637,1118 66.758,1119 11.2,1120 162.666,1121 54.105,1122 5.431,1123 5.692,1124 6.379,1125 5.171,1126 5.129,1127 7.059,1128 2.972,1129 17.984,1130 5.057,1131 13.798,1132 1.496,1133 1.527,1134 1.541,1135 1.491,1136 1.49,1137 1.757,1138 0.295,1139 4.281,1140 1.424,1141 4.049,1142 4.09,1143 3.982,1144 3.966,1145 7.429,1146 3.964,1147 3.967,1148 4.005,1149 3.911,1150 3.861,1151 4.865,1152 3.869,1153 3.792,1154 3.861,1155 3.692,1156 3.588,1157 4.731,1158 3.602,1159 3.731,1160 3.794,1161 3.614,1162 3.553,1163 4.424,1164 3.559,1165 3.512,1166 3.571,1167 3.378,1168 3.39,1169 4.35,1170 3.375,1171 3.355,1172 3.408,1173 3.257,1174 3.085,1175 4.264,1176 3.124,1177 3.213,1178 3.303,1179 3.038,1180 2.982,1181 4.06,1182 2.975,1183 3.175,1184 3.255,1185 3.011,1186 2.941,1187 3.889,1188 2.94,1189 0.117,1190 0.097,1191 0.176,1192 0.108,1193 0.082,1194 4.431,1195 0.107,1196 3.692,1197 0.045,1198 6.69,1199 0.285,1200 4.103,1201 0.08,1202 3.129,1203 4.059,1204 1.701,1205 10.831,1206 3.057,1207 2.008,1208 1.977,1209 2.138,1210 2.112,1211 1.447,1212 2.12,1213 1.917,1214 1.887,1215 2.035,1216 2.069,1217 1.305,1218 2.063,1219 1.741,1220 1.672,1221 1.949,1222 1.965,1223 1.268,1224 1.965,1225 1.698,1226 1.63,1227 1.895,1228 1.891,1229 1.05,1230 1.896,1231 1.523,1232 1.466,1233 1.748,1234 1.679,1235 0.929,1236 1.703,1237 1.247,1238 1.19,1239 1.573,1240 1.559,1241 0.825,1242 1.554,1243 1.175,1244 1.091,1245 1.54,1246 1.475,1247 0.825,1248 1.497,1249 1.16,1250 1.069,1251 1.513,1252 1.406,1253 0.764,1254 1.429,1255 4.344,1257 5.666,1259 7.198,1261 8.82,1263 10.487,1265 3.855,1271 12.125,1272 3.132,1273 5.611,1276 9.075,1280 41.965,1281 101.891,1282 218.896,1283 306.103,1284 348.103,1285 375.122,1286 379.122,1287 50.98,1288 8.362,1289 51.29,1290 51.29,1291 30,1292 12.771,1293 3.807,1294 3,1295 50.261,1296 170,1297 156,1298 0.142,1299 254.269,1300 446.16,1301 612.176,1302 59618,1304 23.493,1305 0.691,1306 0.605,1307 23.493,1308 20.555,1309 16.619,1310 0.437,1311 0.333,1312 12.459,1313 15.926,1314 12.145,1315 10.011,1316 16.619,1317 12.654,1318 14.722,1319 0.278,1320 0.183,1321 14.722,1322 9.703,1323 12.909,1324 0.179,1325 0.105,1326 12.909,1327 7.553,1328 10.805,1329 0.115,1330 0.058,1331 10.805,1332 5.473,1333 9.16,1334 0.074,1335 0.034,1336 9.16,1337 4.144,1338 0.229,1339 104.234,1340 0.196,1341 31.813,1342 0.375,1343 182,1344 444.384,1345 198.305,1346 426.067,1347 594.18,1348 404,1349 216,1350 442.647,1351 233.972,1352 448.966,1353 660.35,1354 422,1355 7.585} {0 CHEMBL326125,1 1.442,2 15.606,3 2.596,4 6.74,5 133.839,6 6.841,7 0.568,8 4.267,9 4.406,10 3.771,11 3.785,12 5.273,13 3.752,14 4.83,15 5.023,16 4.116,17 4.216,18 5.746,19 4.153,20 5.131,21 5.362,22 4.095,23 4.372,24 5.99,25 4.249,26 5.247,27 5.525,28 3.981,29 4.357,30 6.015,31 4.194,32 5.191,33 5.494,34 3.888,35 4.258,36 5.893,37 4.088,38 5.054,39 5.334,40 3.908,41 4.192,42 5.817,43 4.053,44 5.021,45 5.279,46 3.926,47 4.188,48 5.869,49 4.059,50 5.042,51 5.315,52 3.772,53 4.161,54 5.832,55 4,56 0.097,57 1.008,58 15.039,59 5.773,60 14.018,61 8.297,62 0.254,63 1.635,64 27.578,65 9.741,66 20.215,67 14.35,68 0.374,69 1.958,70 38.449,71 13.889,72 41.401,73 20.273,74 0.443,75 2.058,76 44.308,77 15.17,78 47.445,79 22.901,80 0.423,81 1.904,82 42.371,83 14.275,84 40.586,85 21.8,86 0.326,87 1.715,88 36.419,89 12.584,90 34.545,91 18.933,92 0.347,93 1.703,94 34.995,95 12.099,96 40.518,97 17.948,98 0.373,99 1.689,100 36.06,101 12.167,102 41.372,103 18.294,104 2,105 51,106 0.228,107 0.569,108 0.742,109 0.827,110 0.847,111 0.847,112 3.531,113 0.959,114 -4.59,115 -4.51,116 -4.24,119 40,121 4,125 5,129 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 6,178 12,182 3,185 1,186 7,189 8,193 6,195 1,197 3,199 5,203 6,206 2,208 2,211 6,215 4,218 1,220 3,222 7,226 4,229 2,231 4,233 6,236 1,237 5,242 5,244 4,249 2,254 2,256 3,259 2030,260 22.844,261 22.844,262 22.844,263 22.844,264 22.844,265 20.405,266 27.658,267 13.648,268 23.277,269 18.287,270 18.287,271 18.287,272 18.287,273 18.287,274 14.705,275 33.692,276 6.49,277 19.007,278 4.58,279 2.429,280 1.339,281 0.804,282 0.677,283 0.677,284 4.242,289 1,290 1149,291 3.536,294 180.537,295 347.19,298 154.343,302 2.551,303 19.992,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70,315 515,316 4.568,317 3.5,318 6.972,319 4.237,320 3.28,321 4.518,322 0.8,323 11.778,324 3.131,325 4.28,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,331 0.657,332 10.431,333 3.062,334 4.129,335 2.885,336 6.095,337 3.689,338 2.753,339 3.446,341 8.884,342 2.577,343 3.894,344 2.766,345 5.34,346 3.511,347 2.518,348 3.277,350 6.966,351 2.502,352 3.458,353 2.73,354 5.309,355 3.328,356 2.407,357 2.812,359 6.87,360 2.217,361 3.377,362 2.183,363 5.126,364 3.009,365 2.03,366 2.593,368 6,369 1.981,370 3.246,371 1.795,372 4.514,373 2.73,374 1.776,375 2.4,377 4.655,378 1.691,379 2.939,380 1.74,381 4.134,382 2.545,383 1.565,384 2.106,386 3.485,387 1.533,388 2.743,389 1.38,390 3.817,391 2.324,392 1.338,393 1.849,395 3.263,396 1.318,397 2.5,398 1.323,399 3.802,400 2.122,401 1.16,402 1.5,404 2.62,405 1.113,406 2.432,407 1.168,408 3.584,409 2.025,410 1.081,411 1.41,413 2.391,414 1.017,415 2.287,416 1.077,417 3.449,418 2,419 1,420 1.249,422 2.372,423 1,424 2.211,425 1,426 3.314,427 1.984,428 1,429 1.17,431 2.136,432 0.983,433 2.118,434 0.939,435 3.247,436 1.861,437 0.897,438 1,440 2.097,441 0.863,442 2,443 0.684,444 3.174,445 1.568,446 0.618,447 0.927,449 1.479,450 0.583,451 15.733,452 0.477,453 0.66,454 0.02,455 39.75,456 1.205,457 18,458 0.545,459 21.75,460 0.659,461 30.944,462 0.938,463 35.867,464 0.552,465 27.703,466 0.839,467 7.68,468 0.233,469 8.505,470 0.258,471 0.021,472 0.032,473 0.21,479 0.964,480 1.358,481 0.882,482 1.106,483 0.903,484 1.005,485 1.076,486 1.088,487 1.009,488 1.026,489 0.818,490 1.004,491 1.169,492 1.12,493 1.123,494 1.148,495 1.32,496 1.144,497 0.991,498 1.03,499 1.041,500 1.052,501 1.059,502 1.058,503 0.812,504 0.856,505 0.888,506 0.892,507 0.771,508 0.897,509 0.892,510 0.928,511 0.877,512 0.928,513 0.849,514 0.907,515 1.088,516 1.037,517 1.014,518 1.055,519 1.221,520 1.038,521 1.15,522 0.98,523 1.131,524 1.06,525 1.265,526 1.091,527 6,528 0.152,529 3.556,530 1.257,531 1.108,532 0.931,533 0.607,534 0.241,535 0.253,536 0.241,537 19889,538 44479,539 2.18,540 49.2,541 2,542 18,543 1,544 2,545 3,547 2,548 4,550 1.745,551 2.118,552 3.893,553 0.802,559 93.733,560 1.442,561 3.594,562 4.684,563 5.218,564 5.345,565 5.345,566 3.392,567 4.56,568 5.015,569 4.112,570 2171.16,571 8.739,572 35401.7,577 391.454,578 1.114,579 5.003,580 0.162,581 0.006,582 0.07,583 0.027,584 0.028,585 0.025,586 0.016,587 0.006,588 0.008,589 0.009,590 0.355,591 0.17,592 0.88,593 0.306,594 180.946,595 0.014,596 -0.111,597 0.064,598 -0.011,599 -0.011,600 0.021,601 -0.054,602 0.076,603 -0.041,604 0.004,605 -0.001,606 -0.011,607 -0.082,608 -0.107,609 -0.147,610 -0.12,611 -0.07,612 -0.141,613 -0.027,614 -0.094,615 -0.058,616 -0.066,617 -0.044,618 -0.068,619 0.046,620 0.048,621 0.098,622 0.073,623 0.031,624 0.089,625 0.027,626 0.009,627 0.105,628 0.06,629 0.078,630 0.087,631 -0.01,632 -0.062,633 -0.026,634 -0.061,635 -0.03,636 -0.05,637 -0.116,638 -0.022,639 -0.142,640 -0.082,641 -0.157,642 -0.111,643 1.847,644 4.961,645 0.788,646 42.746,647 0.991,648 1.132,649 3.356,650 11.264,651 0.652,652 3.638,653 3.951,654 4.205,655 4.431,656 4.605,657 4.673,658 4.779,659 4.89,660 4.97,661 5.05,662 9.109,663 0.611,664 444.64,665 3.638,666 5.176,667 6.019,668 6.887,669 7.743,670 8.615,671 9.478,672 10.354,673 11.221,674 12.099,675 9.2,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 65,716 21,717 2,718 37,720 69,721 26,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 4,745 16,746 10,747 1,764 32,765 5,766 3,767 7,773 6,777 0.8,778 1,781 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 33,832 1,833 9,834 1,838 1,839 1,844 1,847 1.5,848 1,854 15.583,855 11.167,856 7.208,857 3.991,858 3.505,859 1.427,860 0.979,861 6.766,862 11.718,863 3.882,864 4.454,865 5.022,866 5.589,867 6.016,868 6.336,869 6.775,870 7.194,871 7.392,872 7.621,873 1,874 47,875 12.233,877 5.208,878 7.503,879 24.136,881 20.421,883 2.003,884 66.083,888 341.362,889 136.606,890 73.146,892 42.683,895 136.606,896 384.045,897 73.146,899 20.667,900 145.551,901 74.105,902 33.51,903 13.915,904 306.049,906 341.362,907 209.752,908 42.683,911 270.735,912 70.627,913 42.683,915 77.724,916 98.702,917 33.326,919 341.362,920 115.829,921 136.606,924 341.362,925 34.512,926 107.118,927 34.796,928 76.009,929 341.362,930 115.829,931 136.606,933 0.577,934 0.332,935 0.174,936 0.089,937 25,938 9,939 0.13,940 9,941 1,942 1.077,943 4.735,944 293.066,945 0.077,946 26,947 154.465,951 22.146,952 10.083,953 5.465,954 2.423,955 97.144,956 22.342,957 7.817,958 3.397,961 3.674,962 1.93,963 77.48,964 593.797,965 47.5,975 64.425,976 73.597,977 0.239,978 0.597,979 0.778,980 0.866,981 0.888,982 0.888,983 5.113,984 1.565,985 5.999,986 4.655,987 4.635,988 5.142,989 1.038,990 6.801,991 4.56,992 6.299,993 1.338,994 7.551,995 3.485,996 4.205,997 4.832,998 0.325,999 7.91,1000 4.077,1001 7.598,1002 1.16,1003 9.215,1004 3.263,1005 6.26,1006 7.313,1007 0.607,1008 10.902,1009 6.112,1010 8.936,1011 1.081,1012 10.951,1013 2.62,1014 6.723,1015 7.925,1016 0.268,1017 12.876,1018 6.521,1019 10.311,1020 1,1021 12.735,1022 2.391,1023 8.205,1024 9.82,1025 0.359,1026 15.437,1027 7.984,1028 11.71,1029 1,1030 14.552,1031 2.372,1032 9.056,1033 10.872,1034 0.188,1035 17.71,1036 8.786,1037 13.129,1038 0.897,1039 16.392,1040 2.136,1041 10.328,1042 12.528,1043 0.214,1044 20.167,1045 10.034,1046 3.28,1047 0.618,1048 18.25,1049 2.097,1050 11.351,1051 13.804,1052 0.125,1053 22.544,1054 11.013,1055 3.118,1056 11.778,1057 20.121,1058 1.479,1059 12.546,1060 15.361,1061 0.129,1062 24.982,1063 12.179,1064 2.753,1065 10.431,1066 22.001,1067 4.518,1068 13.645,1069 16.751,1070 0.082,1071 27.398,1072 13.238,1073 2.518,1074 8.884,1075 23.89,1076 3.731,1077 14.815,1078 18.269,1079 0.079,1080 29.836,1081 14.375,1082 2.407,1083 6.966,1084 25.785,1085 3.446,1086 15.95,1087 19.715,1088 0.054,1089 32.27,1090 15.47,1091 2.03,1092 6.87,1093 27.685,1094 3.277,1095 17.114,1096 21.22,1097 0.048,1098 34.713,1099 16.598,1100 1.776,1101 6,1102 29.59,1103 2.812,1104 18.265,1105 22.695,1106 0.035,1107 37.156,1108 17.71,1109 18167,1110 27351,1111 25.712,1112 42.387,1113 55.328,1114 54.604,1115 55.042,1116 54.769,1117 54.745,1118 70.112,1119 2.915,1120 154.671,1121 52.679,1122 5.568,1123 5.5,1124 6.774,1125 5.297,1126 5.28,1127 7.518,1128 1.457,1129 18.442,1130 5.131,1131 7.63,1132 1.495,1133 1.476,1134 1.488,1135 1.48,1136 1.48,1137 1.895,1138 0.079,1139 4.18,1140 1.424,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 6.446,1146 4.07,1147 3.943,1148 3.99,1149 3.855,1150 3.858,1151 5.135,1152 3.852,1153 3.867,1154 3.918,1155 3.791,1156 3.733,1157 4.927,1158 3.735,1159 3.825,1160 3.895,1161 3.761,1162 3.588,1163 4.758,1164 3.625,1165 3.57,1166 3.639,1167 3.432,1168 3.405,1169 4.315,1170 3.405,1171 3.388,1172 3.469,1173 3.258,1174 3.194,1175 4.252,1176 3.201,1177 3.266,1178 3.337,1179 3.135,1180 3.092,1181 4.147,1182 3.092,1183 3.111,1184 3.206,1185 2.938,1186 2.941,1187 3.897,1188 2.91,1189 0.123,1190 0.095,1191 0.188,1192 0.115,1193 0.089,1194 4.568,1195 0.122,1196 3.5,1197 0.022,1198 6.972,1199 0.318,1200 4.237,1201 0.085,1202 3.28,1203 4.518,1204 0.8,1205 11.778,1206 3.131,1207 1.961,1208 1.936,1209 2.074,1210 2.066,1211 1.428,1212 2.071,1213 1.917,1214 1.884,1215 2.043,1216 2.045,1217 1.278,1218 2.044,1219 1.851,1220 1.799,1221 2.018,1222 1.988,1223 1.156,1224 2.003,1225 1.67,1226 1.617,1227 1.877,1228 1.839,1229 1.116,1230 1.855,1231 1.43,1232 1.356,1233 1.648,1234 1.686,1235 0.845,1236 1.675,1237 1.381,1238 1.311,1239 1.565,1240 1.625,1241 0.825,1242 1.616,1243 1.275,1244 1.201,1245 1.513,1246 1.491,1247 0.708,1248 1.502,1249 1.153,1250 1.064,1251 1.48,1252 1.442,1253 0.583,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.132,1260 5.283,1261 8.715,1262 7.286,1263 10.343,1270 10.961,1271 8.208,1272 3.439,1276 2.489,1277 -0.597,1280 39.692,1281 93.733,1282 233.587,1283 304.434,1284 339.189,1285 347.454,1286 347.454,1287 50.221,1288 8.213,1289 82,1290 82,1291 28,1292 12.639,1293 4.459,1294 3.524,1295 48.319,1296 184,1297 175,1298 0.125,1299 241.62,1300 403.99,1301 581.312,1302 53487,1304 22.512,1305 0.682,1306 0.574,1307 22.512,1308 18.951,1309 16.184,1310 0.437,1311 0.32,1312 11.686,1313 15.642,1314 11.456,1315 9.455,1316 16.184,1317 11.83,1318 14.46,1319 0.284,1320 0.18,1321 14.46,1322 9.172,1323 12.286,1324 0.186,1325 0.103,1326 12.286,1327 6.801,1328 9.971,1329 0.12,1330 0.057,1331 9.971,1332 4.766,1333 7.675,1334 0.078,1335 0.034,1336 7.675,1337 3.367,1338 0.206,1339 100.748,1340 0.197,1341 31.78,1342 0.316,1343 176,1344 415.396,1345 189.259,1346 411.826,1347 574.45,1348 388,1349 205,1350 433.52,1351 219.676,1352 442.441,1353 639.64,1354 416,1355 9.347} {0 CHEMBL326371,1 1.446,2 14.067,3 3.217,4 10.348,5 121.493,6 7.045,7 0.618,8 4.146,9 4.276,10 3.688,11 3.681,12 5.155,13 3.654,14 4.708,15 4.892,16 4.007,17 4.103,18 5.618,19 4.045,20 4.939,21 5.166,22 3.931,23 4.213,24 5.736,25 4.089,26 5.035,27 5.302,28 3.856,29 4.162,30 5.792,31 4.019,32 4.932,33 5.206,34 3.783,35 4.07,36 5.661,37 3.93,38 4.848,39 5.109,40 3.803,41 4.052,42 5.594,43 3.933,44 4.852,45 5.098,46 3.793,47 4.07,48 5.649,49 3.938,50 4.882,51 5.168,52 3.6,53 3.988,54 5.59,55 3.821,56 0.066,57 0.876,58 12.632,59 5.128,60 10.426,61 7.114,62 0.271,63 1.426,64 23.937,65 8.615,66 21.678,67 12.104,68 0.204,69 1.648,70 30.885,71 11.887,72 22.731,73 17.003,74 0.373,75 1.671,76 35.955,77 12.815,78 35.3,79 18.537,80 0.327,81 1.545,82 32.352,83 11.477,84 28.871,85 16.789,86 0.257,87 1.476,88 29.25,89 10.238,90 23.003,91 15.133,92 0.29,93 1.524,94 28.87,95 10.451,96 26.4,97 15.271,98 0.253,99 1.471,100 30.771,101 10.619,102 27.51,103 16.006,105 46,106 0.235,107 0.573,108 0.775,109 0.859,110 0.867,111 0.867,112 3.44,113 0.939,114 -4.93,115 -4.84,116 -4.54,119 42.1,121 2,122 1,125 5,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 7,176 3,178 10,182 6,186 3,189 7,192 1,193 8,199 5,203 7,206 2,211 6,215 5,222 6,225 1,226 6,229 2,231 2,233 5,237 3,244 4,248 2,249 4,252 1,256 5,259 1572,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 22.695,267 12.752,268 21.534,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.27,275 23.524,276 6.124,277 17.572,278 4.387,279 2.305,280 1.057,281 0.54,282 0.491,283 0.491,284 4.155,288 1,289 1,290 949,291 3,294 240.281,295 195.52,298 130.287,302 2.271,303 13.536,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 422,316 4.569,317 3.203,318 6.566,319 4.1,320 3.119,321 4.518,322 1.151,323 10.433,324 3.062,325 4.129,326 2.987,327 6.096,328 3.711,329 2.768,330 3.732,331 0.8,332 8.885,333 2.622,334 3.899,335 2.878,336 5.647,337 3.67,338 2.723,339 3.444,341 7.88,342 2.569,343 3.737,344 2.818,345 5.34,346 3.505,347 2.517,348 2.828,350 6.965,351 2.487,352 3.426,353 2.315,354 5.139,355 3.068,356 2.1,357 2.72,359 6.088,360 2.032,361 3.25,362 2.131,363 4.878,364 2.865,365 1.915,366 2.586,368 5.578,369 1.809,370 3.024,371 1.799,372 4.514,373 2.723,374 1.768,375 2.127,377 4.654,378 1.683,379 2.907,380 1.767,381 4.122,382 2.514,383 1.538,384 1.991,386 3.429,387 1.5,388 2.725,389 1.403,390 3.676,391 2.25,392 1.274,393 1.822,395 3.223,396 1.242,397 2.5,398 1.304,399 3.397,400 2,401 1.08,402 1.5,404 2.385,405 1,406 2.404,407 1.02,408 3.333,409 1.995,410 1,411 1.363,413 2.172,414 0.98,415 2.202,416 1,417 3.247,418 1.894,419 0.947,420 1.165,422 2.136,423 0.891,424 2.118,425 0.87,426 3.24,427 1.717,428 0.767,429 0.978,431 1.811,432 0.725,433 2.102,434 0.756,435 3.227,436 1.642,437 0.678,438 0.927,440 1.642,441 0.652,442 1.761,443 0.618,444 3.033,445 1.518,446 0.618,447 0.731,449 1.372,450 0.556,451 14.333,452 0.478,453 0.496,454 0.017,455 38,456 1.267,457 18,458 0.6,459 20,460 0.667,461 25.024,462 0.834,463 31.867,464 0.559,465 25.325,466 0.844,467 7.488,468 0.25,469 7.36,470 0.245,473 0.265,479 0.861,480 1.345,481 0.819,482 1.121,483 0.691,484 0.99,485 1.383,486 1.007,487 1.048,488 0.948,489 1.051,490 0.961,491 0.935,492 1.136,493 1.097,494 1.205,495 0.785,496 1.177,497 1.137,498 0.967,499 0.98,500 0.995,501 0.971,502 0.987,503 0.958,504 0.923,505 0.921,506 0.943,507 0.916,508 0.938,509 1.005,510 0.973,511 0.928,512 0.908,513 0.866,514 0.91,515 0.855,516 1.092,517 1.089,518 1.14,519 0.953,520 1.143,521 0.837,522 1.003,523 1.02,524 1.034,525 0.97,526 1.038,527 4.5,528 0.092,529 2.667,530 1.139,531 0.864,532 0.694,533 0.408,534 0.201,535 0.213,536 0.08,537 15153,538 34189,539 2.228,540 47.4,542 18,543 1,544 2,545 1,547 4,548 1,550 1.721,551 2.195,552 3.755,553 -0.382,555 1,559 82.444,560 1.446,561 3.527,562 4.776,563 5.293,564 5.342,565 5.342,566 3.248,567 4.307,568 4.877,569 3.962,570 1723.51,571 8.469,572 25711.2,574 1,577 332.475,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.028,584 0.024,585 0.02,586 0.011,587 0.006,588 0.008,589 0.003,590 0.296,591 0.33,592 0.88,594 158.685,595 0.084,596 -0.151,597 0.089,598 -0.07,599 0.183,600 -0.004,601 -0.134,602 0.113,603 -0.084,604 0.049,605 -0.071,606 -0.005,607 -0.068,608 -0.138,609 -0.147,610 -0.184,611 0.014,612 -0.174,613 0.002,614 -0.06,615 0.022,616 -0.004,617 0.041,618 0.006,619 0.038,620 0.003,621 0.074,622 0.04,623 0.033,624 0.054,625 -0.069,626 -0.003,627 0.055,628 0.075,629 -0.01,630 0.078,631 0.03,632 -0.087,633 -0.122,634 -0.155,635 -0.072,636 -0.16,637 -0.038,638 -0.066,639 -0.034,640 -0.064,641 -0.087,642 -0.048,643 0.79,644 2.464,645 0.833,646 36.12,647 0.992,648 1.128,649 3.703,650 13.715,651 0.664,652 3.555,653 3.85,654 4.127,655 4.382,656 4.5,657 4.595,658 4.745,659 4.905,660 4.977,661 5.037,662 8.252,663 0.625,664 401.56,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.379,672 10.25,673 11.12,674 11.995,675 8.8,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 57,716 21,717 2,718 34,720 61,721 24,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 2,745 16,746 8,747 1,761 1,764 27,765 4,766 1,767 6,773 5,777 0.8,778 1,788 1,789 1,792 3,793 2,796 1,815 1,818 1,819 4,827 30,833 7,835 1,837 1,838 1,844 1,847 1.8,851 1,854 13.667,855 9.967,856 6.583,857 3.483,858 3.584,859 1.443,860 1.018,861 5.822,862 11.669,863 3.818,864 4.394,865 4.989,866 5.574,867 5.994,868 6.327,869 6.779,870 7.214,871 7.418,872 7.657,873 1,874 40,875 11.078,877 4.671,878 7.439,879 21.969,881 18.493,883 1.939,884 58.167,887 1,888 306.049,889 136.511,890 55.135,892 11,895 136.511,896 317.049,897 55.135,899 20.571,900 84.857,901 85.105,902 33.51,903 13.915,904 270.735,906 306.049,907 191.645,908 11,911 247.193,912 58.856,913 11,915 59.617,916 98.702,917 33.326,919 306.049,920 66.135,921 136.511,924 306.049,925 34.416,926 107.118,927 16.786,928 44.326,929 306.049,930 66.135,931 136.511,933 0.571,934 0.332,935 0.181,936 0.087,937 23,938 8,939 0.131,940 8,941 1,942 1.08,943 4.512,944 259.91,945 0.08,946 25,947 139.207,951 19.347,952 9.028,953 4.606,954 2.457,955 47.45,956 22.472,957 7.822,958 3.409,961 3.7,962 1.941,963 16.786,964 508.694,965 44.5,975 56.556,976 64.268,977 0.248,978 0.605,979 0.819,980 0.907,981 0.916,982 0.916,983 5.032,984 1.538,985 5.872,986 4.654,987 4.533,988 5.081,989 1.528,990 6.632,991 4.455,992 6.2,993 1.274,994 7.388,995 3.429,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.478,1002 1.08,1003 9.004,1004 3.223,1005 6.071,1006 7.251,1007 1.603,1008 10.5,1009 5.927,1010 8.796,1011 1,1012 10.682,1013 2.385,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.182,1019 10.152,1020 0.947,1021 12.403,1022 2.172,1023 7.889,1024 9.764,1025 1.778,1026 14.738,1027 7.688,1028 11.535,1029 0.767,1030 14.153,1031 2.136,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.368,1037 12.939,1038 0.678,1039 15.924,1040 1.811,1041 9.871,1042 12.487,1043 1.991,1044 19.176,1045 9.621,1046 3.119,1047 0.618,1048 17.713,1049 1.642,1050 10.779,1051 13.766,1052 0.125,1053 21.376,1054 10.51,1055 2.768,1056 10.433,1057 19.514,1058 1.372,1059 11.951,1060 15.334,1061 2.225,1062 23.72,1063 11.659,1064 2.723,1065 8.885,1066 21.325,1067 4.518,1068 12.961,1069 16.729,1070 0.082,1071 25.991,1072 12.651,1073 2.517,1074 7.88,1075 23.146,1076 3.732,1077 14.09,1078 18.253,1079 2.473,1080 28.321,1081 13.762,1082 2.1,1083 6.965,1084 24.973,1085 3.444,1086 15.15,1087 19.703,1088 0.054,1089 30.625,1090 14.807,1091 1.915,1092 6.088,1093 26.807,1094 2.828,1095 16.265,1096 21.211,1097 2.73,1098 32.954,1099 15.906,1100 1.768,1101 5.578,1102 28.646,1103 2.72,1104 17.352,1105 22.688,1106 0.035,1107 35.274,1108 16.978,1109 13760,1110 20833,1111 24.038,1112 37.858,1113 50.708,1114 50.638,1115 50.317,1116 50.32,1117 50.345,1118 65.716,1119 3.902,1120 139.103,1121 48.317,1122 5.527,1123 5.203,1124 6.368,1125 5.161,1126 5.119,1127 7.518,1128 2.302,1129 17.106,1130 5.062,1132 1.491,1133 1.489,1134 1.48,1135 1.48,1136 1.481,1137 1.933,1138 0.115,1139 4.091,1140 1.421,1141 4.154,1142 4.192,1143 4.114,1144 4.061,1145 5.135,1146 4.069,1147 3.929,1148 3.971,1149 3.845,1150 3.85,1151 4.928,1152 3.844,1153 3.863,1154 3.919,1155 3.793,1156 3.722,1157 4.789,1158 3.721,1159 3.817,1160 3.887,1161 3.739,1162 3.577,1163 4.516,1164 3.617,1165 3.452,1166 3.512,1167 3.325,1168 3.301,1169 4.287,1170 3.3,1171 3.31,1172 3.363,1173 3.19,1174 3.099,1175 4.226,1176 3.111,1177 3.187,1178 3.264,1179 3.037,1180 2.994,1181 3.843,1182 2.995,1183 2.976,1184 3.061,1185 2.809,1186 2.813,1187 3.674,1188 2.801,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.569,1195 0.133,1196 3.203,1197 0.034,1198 6.566,1199 0.307,1200 4.1,1201 0.09,1202 3.119,1203 4.518,1204 1.151,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.299,1212 2.049,1213 1.905,1214 1.877,1215 2.036,1216 1.997,1217 1.268,1218 2.011,1219 1.686,1220 1.628,1221 1.896,1222 1.881,1223 1.13,1224 1.887,1225 1.657,1226 1.603,1227 1.876,1228 1.824,1229 1.114,1230 1.848,1231 1.44,1232 1.365,1233 1.649,1234 1.693,1235 0.893,1236 1.677,1237 1.375,1238 1.31,1239 1.52,1240 1.593,1241 0.633,1242 1.585,1243 1.197,1244 1.143,1245 1.468,1246 1.444,1247 0.585,1248 1.454,1249 1.078,1250 0.982,1251 1.357,1252 1.442,1253 0.515,1254 1.379,1255 4.234,1257 5.533,1258 3.434,1259 7.009,1260 5.687,1261 8.567,1262 7.678,1263 10.17,1271 7.196,1273 5.964,1275 0.636,1276 2.568,1280 35.617,1281 82.444,1282 201.063,1283 272.21,1284 301.72,1285 304.475,1286 304.475,1287 35.374,1288 8.085,1289 58.97,1290 58.97,1291 27,1292 12.536,1293 4.459,1294 3.524,1295 41.965,1296 150,1297 148,1298 0.133,1299 215.641,1300 358.39,1301 517.924,1302 44683,1304 20.175,1305 0.673,1306 0.569,1307 20.175,1308 17.075,1309 14.848,1310 0.437,1311 0.313,1312 10.496,1313 14.305,1314 10.288,1315 8.5,1316 14.848,1317 10.64,1318 12.936,1319 0.281,1320 0.176,1321 12.936,1322 8.119,1323 11.214,1324 0.184,1325 0.098,1326 11.214,1327 6,1328 9.419,1329 0.119,1330 0.055,1331 9.419,1332 4.316,1333 6.865,1334 0.077,1335 0.031,1336 6.865,1337 2.761,1338 0.218,1339 92.732,1340 0.204,1341 29.238,1342 0.342,1343 160,1344 396.649,1345 171.982,1346 387.923,1347 543.09,1348 368,1349 187,1350 407,1351 200.952,1352 415.982,1353 602.47,1354 390,1355 8.658} {0 CHEMBL326667,1 1.295,2 11.571,3 4.688,4 21.975,5 89.113,6 5.887,7 0.455,8 3.931,9 4.08,10 3.279,11 3.434,12 4.838,13 3.363,14 4.503,15 4.718,16 3.531,17 3.814,18 5.301,19 3.693,20 4.767,21 5.047,22 3.518,23 3.899,24 5.471,25 3.736,26 4.726,27 5.002,28 3.434,29 3.851,30 5.434,31 3.679,32 4.69,33 4.979,34 3.34,35 3.755,36 5.416,37 3.569,38 4.603,39 4.891,40 3.178,41 3.652,42 5.305,43 3.465,44 4.488,45 4.772,46 3.073,47 3.557,48 5.208,49 3.363,50 4.403,51 4.697,52 2.925,53 3.462,54 5.054,55 3.258,56 0.071,57 0.671,58 12.311,59 4.867,60 8.524,61 7.077,62 0.145,63 1.043,64 21.04,65 8.096,66 15.918,67 11.812,68 0.212,69 1.198,70 26.331,71 9.754,72 22.638,73 14.404,74 0.198,75 1.157,76 25.322,77 9.302,78 21.183,79 13.829,80 0.268,81 1.076,82 24.344,83 8.814,84 25.157,85 13.058,86 0.217,87 0.966,88 22.299,89 7.811,90 21.644,91 11.652,92 0.227,93 0.87,94 19.845,95 7.146,96 22.523,97 10.609,98 0.16,99 0.791,100 17.98,101 6.546,102 15.97,103 9.734,104 19,105 27,106 0.224,107 0.529,108 0.729,109 0.82,110 0.87,111 0.884,112 3.101,113 1.129,114 -5.24,115 -5.13,116 -4.8,119 36.7,120 1,121 7,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 10,172 3,176 4,178 9,180 1,182 3,186 4,189 8,191 1,193 2,197 1,199 7,201 1,203 2,206 1,207 1,208 1,210 1,211 7,213 1,215 1,220 1,222 6,224 1,226 1,228 1,229 1,231 2,233 6,235 1,237 1,242 1,244 6,254 2,256 6,258 1,259 652,260 14.69,261 14.69,262 14.69,263 14.69,264 14.69,265 13.56,266 8.779,267 9.485,268 14.9,269 10.846,270 10.846,271 10.846,272 10.846,273 10.846,274 9.08,275 7.285,276 4.449,277 11.181,278 4.32,279 2.556,280 1.399,281 0.873,282 0.587,283 0.505,284 3.77,288 1,289 1,290 500,291 3.464,294 52.05,295 58.126,298 91.84,302 1.782,303 10.761,305 1,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 44,315 243,316 4.55,317 3.186,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 3.715,326 2.774,327 5.317,328 3.327,329 2.387,330 3.129,332 6.863,333 2.242,334 3.346,335 2.172,336 5.096,337 2.952,338 1.98,339 2.675,341 5.914,342 1.918,343 2.884,344 1.894,345 4.159,346 2.861,347 1.866,348 1.897,350 3.742,351 1.854,352 2.746,353 1.646,354 3.873,355 2.516,356 1.533,357 1.839,359 3.51,360 1.504,361 2.554,362 1.392,363 3.541,364 2.302,365 1.322,366 1.555,368 2.971,369 1.294,370 2.328,371 1.246,372 3.326,373 2.056,374 1.105,375 1.291,377 2.153,378 1.045,379 2.083,380 1.118,381 3.095,382 1.966,383 1,384 1.063,386 1.888,387 0.962,388 1.943,389 0.764,390 3,391 1.614,392 0.655,393 0.826,395 1.303,396 0.626,397 1.491,398 0.566,399 2.595,400 1.373,401 0.418,402 0.444,404 0.758,405 0.396,406 1.037,407 0.066,408 2.258,409 0.854,410 -0.107,411 -0.115,413 -0.195,414 -0.102,415 0.745,416 -0.176,417 2,418 0.57,419 -0.386,420 -0.429,422 -0.669,423 -0.368,424 0.654,425 -0.475,426 2,427 0.299,428 -0.67,429 -0.743,431 -1.31,432 -0.643,433 0.419,434 -0.864,435 1.772,436 0.104,437 -0.883,438 -1.089,440 -1.927,441 -0.872,442 0.151,443 -0.926,444 1.502,445 -0.03,446 -1,447 -1.313,449 -2.67,450 -0.969,451 10.133,452 0.483,453 0.239,454 0.011,455 20.75,456 0.988,457 8.5,458 0.405,459 12.25,460 0.583,461 19.731,462 0.94,463 24.667,464 0.503,465 11.627,466 0.554,467 3.521,468 0.168,469 6.826,470 0.325,471 0.089,473 0.197,479 1.066,480 1.304,481 1.09,482 1.224,483 1.189,484 1.161,485 1.152,486 1.231,487 1.103,488 1.203,489 0.933,490 1.159,491 1.124,492 0.958,493 0.916,494 0.941,495 0.871,496 0.92,497 1.095,498 1.07,499 1.012,500 1.059,501 0.869,502 1.036,503 0.927,504 1.004,505 0.961,506 1.042,507 0.874,508 1.014,509 1.527,510 0.968,511 1.068,512 0.968,513 1.278,514 0.985,515 1.2,516 0.999,517 1.071,518 1.031,519 0.995,520 1.046,521 1.245,522 0.963,523 1.05,524 0.985,525 1.031,526 1.005,527 2.5,528 0.057,529 1.556,530 0.854,531 0.653,532 0.396,533 0.217,534 0.143,535 0.089,536 0.07,537 4697,538 8167,539 2.023,540 57.1,541 13,542 7,543 1,545 3,547 4,550 1.624,551 1.938,552 3.476,553 0.968,559 63.456,560 1.295,561 3.058,562 4.216,563 4.742,564 5.028,565 5.11,566 2.951,567 4.011,568 4.353,569 3.627,570 761.75,571 7.425,572 8657.07,574 1,577 275.121,578 1.125,579 4.345,580 0.114,581 0.005,582 0.058,583 0.033,584 0.028,585 0.02,586 0.013,587 0.01,588 0.007,589 0.006,590 0.293,591 0.67,592 1,593 2.433,594 98.359,595 -0.034,596 0.026,597 0.028,598 0.015,599 -0.067,600 0.029,601 -0.046,602 -0.09,603 -0.05,604 -0.083,605 0.021,606 -0.069,607 -0.016,608 0.021,609 0.077,610 0.062,611 0.049,612 0.075,613 -0.029,614 -0.073,615 -0.018,616 -0.054,618 -0.037,619 0.181,620 -0.041,621 0.025,622 -0.068,623 0.135,624 -0.041,625 -0.127,626 -0.022,627 -0.061,628 -0.01,629 -0.118,630 -0.029,631 0.039,632 -0.039,633 -0.075,634 -0.056,635 0.053,636 -0.075,637 -0.105,638 -0.021,639 -0.07,640 -0.018,641 -0.098,642 -0.04,643 0.824,644 2.378,645 0.429,646 21.206,647 0.98,648 1.135,649 4.013,650 16.1,651 0.62,652 3.135,653 3.332,654 3.555,655 3.784,656 3.932,657 3.97,658 4.025,659 4.043,660 3.892,661 3.829,662 6.562,663 0.563,664 288.48,665 3.135,666 4.595,667 5.398,668 6.229,669 7.066,670 7.917,671 8.772,672 9.635,673 10.501,674 11.373,675 4.1,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 49,716 10,717 1,718 22,720 50,721 18,722 8,723 3,724 3,730 2,731 3,736 2,743 7,745 8,746 10,761 1,764 28,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 21,828 1,833 9,835 1,847 2,852 1,854 10.833,855 8.583,856 5.056,857 3.465,858 2.056,859 1.319,860 0.952,861 6.938,862 8.498,863 3.332,864 3.834,865 4.426,866 5.038,867 5.52,868 5.83,869 6.172,870 6.47,871 6.196,872 6.146,873 0.875,874 26,875 7.794,877 3.081,878 7.413,879 15.649,881 12.511,883 1.913,884 40.167,885 0.002,887 1,888 294.278,889 83.887,890 49.683,892 11,895 83.887,896 305.277,897 49.683,898 8.825,899 57.337,900 37.476,902 38.787,903 13.915,904 282.506,906 294.278,907 133.57,908 11,911 247.193,912 58.084,915 82.948,916 50.622,919 294.278,920 60.683,921 83.887,924 294.278,925 37.586,926 46.301,927 16.786,928 43.897,929 294.278,930 60.683,931 83.887,933 0.533,934 0.302,935 0.168,936 0.091,937 10,938 4,939 0.2,940 10,941 1,942 1.222,943 3.523,944 140.883,945 0.222,946 9,947 92.239,951 16.219,952 8.983,953 4.956,954 2.395,955 43.897,956 8.316,958 3.285,961 2.242,963 49.683,964 438.847,965 27,975 48.018,976 55.604,977 0.231,978 0.545,979 0.751,980 0.845,981 0.895,982 0.91,983 4.494,984 1,985 5.303,986 2.153,987 4.007,988 4.516,989 0.908,990 6.023,991 3.949,992 5.627,993 0.655,994 6.79,995 1.888,996 3.219,997 4.227,999 6.783,1000 3.144,1001 6.892,1002 0.418,1003 8.391,1004 1.303,1005 5.476,1006 6.724,1007 0.739,1008 9.922,1009 5.37,1010 8.212,1011 -0.107,1012 10.068,1013 0.758,1014 5.673,1015 7.453,1017 11.652,1018 5.555,1019 9.582,1020 -0.386,1021 11.797,1022 -0.195,1023 7.273,1024 9.346,1025 0.593,1026 14.259,1027 7.132,1028 10.986,1029 -0.67,1030 13.563,1031 -0.669,1032 7.967,1033 10.518,1035 16.363,1036 7.819,1037 12.417,1038 -0.883,1039 15.356,1040 -1.31,1041 9.283,1042 12.179,1043 0.469,1044 18.796,1045 9.116,1046 3.092,1047 -1,1048 17.167,1049 -1.927,1050 10.217,1051 13.543,1053 21.044,1054 10.043,1055 2.387,1056 10.36,1057 18.994,1058 -2.67,1059 11.415,1060 15.11,1061 0.366,1062 23.417,1063 11.226,1064 1.98,1065 6.863,1066 20.831,1067 4.504,1068 12.458,1069 16.555,1071 25.72,1072 12.26,1073 1.866,1074 5.914,1075 22.677,1076 3.129,1077 13.611,1078 18.086,1079 0.283,1080 28.07,1081 13.399,1082 1.533,1083 3.742,1084 24.53,1085 2.675,1086 14.702,1087 19.565,1089 30.395,1090 14.478,1091 1.322,1092 3.51,1093 26.388,1094 1.897,1095 15.837,1096 21.081,1097 0.217,1098 32.738,1099 15.599,1100 1.105,1101 2.971,1102 28.251,1103 1.839,1104 16.949,1105 22.575,1107 35.07,1108 16.698,1109 4808,1110 6495,1111 14.792,1112 30.364,1113 30.736,1114 30.971,1115 32.004,1116 30.722,1117 30.718,1118 38.446,1119 1.72,1120 78.926,1121 29.768,1122 5.481,1123 5.186,1124 6.517,1125 5.134,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 8.744,1132 1.397,1133 1.408,1134 1.455,1135 1.396,1136 1.396,1137 1.748,1138 0.078,1139 3.588,1140 1.353,1141 4.13,1142 4.162,1143 4.088,1144 4.044,1145 5.037,1146 4.051,1147 3.784,1148 3.848,1149 3.618,1150 3.659,1151 4.958,1152 3.639,1153 3.606,1154 3.666,1155 3.472,1156 3.45,1157 4.583,1158 3.445,1159 3.525,1160 3.605,1161 3.346,1162 3.383,1163 4.209,1164 3.364,1165 3.359,1166 3.432,1167 3.205,1168 3.135,1169 4.059,1170 3.141,1171 3.211,1172 3.299,1173 2.994,1174 3.031,1175 3.894,1176 3.01,1177 2.955,1178 3.033,1179 2.807,1180 2.795,1181 3.75,1182 2.79,1183 2.856,1184 2.962,1185 2.592,1186 2.629,1187 3.506,1188 2.602,1189 0.207,1190 0.145,1191 0.298,1192 0.185,1193 0.141,1194 4.55,1195 0.205,1196 3.186,1197 0.039,1198 6.546,1199 0.471,1200 4.076,1201 0.138,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.052,1210 2.029,1211 1.395,1212 2.03,1213 1.789,1214 1.727,1215 2.016,1216 1.945,1217 1.227,1218 1.98,1219 1.649,1220 1.591,1221 1.88,1222 1.846,1223 1.171,1224 1.854,1225 1.585,1226 1.516,1227 1.847,1228 1.778,1229 1.014,1230 1.813,1231 1.306,1232 1.228,1233 1.626,1234 1.583,1235 0.864,1236 1.586,1237 1.258,1238 1.169,1239 1.521,1240 1.504,1241 0.557,1242 1.536,1243 0.991,1244 0.931,1245 1.335,1246 1.245,1247 0.539,1248 1.272,1249 0.878,1250 0.782,1251 1.182,1252 1.137,1253 0.27,1254 1.171,1255 3.807,1257 5.03,1258 2.398,1259 6.45,1260 4.727,1261 7.98,1262 6.823,1263 9.578,1265 2.249,1269 5.652,1271 10.149,1273 5.878,1280 27.606,1281 63.456,1282 149.863,1283 206.591,1284 232.366,1285 246.366,1286 250.366,1287 33.155,1288 6.443,1289 51.04,1290 51.04,1291 11,1292 11.917,1293 3.459,1294 2.585,1295 39.746,1296 80,1297 99,1298 0.239,1299 174.521,1300 293.67,1301 417.591,1302 4915,1304 14.916,1305 0.71,1306 0.627,1307 14.916,1308 13.159,1309 10.347,1310 0.47,1311 0.376,1312 8.212,1313 10.097,1314 8.014,1315 6.759,1316 10.347,1317 8.277,1318 8.139,1319 0.301,1320 0.21,1321 8.139,1322 5.676,1323 6.546,1324 0.193,1325 0.115,1326 6.546,1327 3.919,1328 5.319,1329 0.124,1330 0.062,1331 5.319,1332 2.682,1333 4.082,1334 0.082,1335 0.034,1336 4.082,1337 1.72,1338 0.388,1339 63.797,1340 0.26,1341 21.628,1342 0.614,1343 98,1344 213.381,1345 103.958,1346 208.414,1347 291.6,1348 198,1349 110,1350 216.849,1351 115.82,1352 220.004,1353 320.47,1354 209,1355 8.796} {0 CHEMBL326723,1 1.506,2 17.838,3 1.717,4 2.946,5 146.921,6 6.968,7 0.512,8 4.369,9 4.508,10 3.879,11 3.866,12 5.409,13 3.841,14 4.927,15 5.121,16 4.233,17 4.29,18 5.907,19 4.237,20 5.223,21 5.446,22 4.215,23 4.453,24 6.153,25 4.346,26 5.339,27 5.61,28 4.129,29 4.463,30 6.162,31 4.313,32 5.299,33 5.59,34 4.039,35 4.377,36 6.084,37 4.219,38 5.176,39 5.452,40 4.018,41 4.299,42 5.984,43 4.16,44 5.127,45 5.389,46 4.024,47 4.271,48 5.974,49 4.145,50 5.131,51 5.395,52 3.897,53 4.243,54 5.978,55 4.094,56 0.089,57 1.119,58 16.353,59 6.216,60 15.587,61 8.93,62 0.302,63 1.786,64 30.19,65 10.487,66 29.811,67 15.502,68 0.478,69 2.132,70 42.233,71 14.488,72 61.537,73 21.181,74 0.479,75 2.242,76 48.567,77 16.463,78 61.483,79 24.92,80 0.483,81 2.087,82 47.374,83 15.821,84 60.357,85 24.057,86 0.416,87 1.897,88 41.428,89 14.033,90 50.481,91 21.12,92 0.385,93 1.854,94 39.069,95 13.112,96 48.398,97 19.742,98 0.486,99 1.824,100 39.545,101 12.824,102 58.408,103 19.442,104 12,105 57,106 0.233,107 0.589,108 0.768,109 0.834,110 0.851,111 0.851,112 3.641,113 0.947,114 -4.1,115 -4.04,116 -3.83,119 38.9,120 1,121 4,125 5,129 1,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 9,171 2,172 6,174 1,176 9,178 10,182 3,185 1,186 9,189 7,193 8,195 1,197 4,199 7,203 8,206 2,208 1,211 8,215 5,218 1,219 1,220 3,222 8,226 4,229 2,231 4,233 6,236 1,237 5,240 1,242 5,244 2,249 2,253 1,254 4,256 3,259 2928,260 25.154,261 25.154,262 25.154,263 25.154,264 25.154,265 22.535,266 34.497,267 14.883,268 25.608,269 20.254,270 20.254,271 20.254,272 20.254,273 20.254,274 16.333,275 43.451,276 7.079,277 21.01,278 4.664,279 2.37,280 1.214,281 0.792,282 0.677,283 0.677,284 4.348,289 1,290 1453,291 4.123,294 213.143,295 404.018,298 183.706,302 3.004,303 28.102,306 0.75,307 0.5,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.71,314 79.5,315 660,316 4.568,317 3.533,318 6.972,319 4.237,320 3.28,321 4.518,322 1.907,323 11.778,324 3.131,325 4.28,326 3.5,327 6.566,328 4.099,329 3.118,330 3.731,331 0.8,332 10.431,333 3.062,334 4.129,335 3.196,336 6.095,337 3.689,338 2.753,339 3.648,340 0.657,341 8.884,342 2.64,343 4.058,344 2.885,345 5.533,346 3.67,347 2.686,348 3.279,349 0.149,350 7.515,351 2.577,352 3.635,353 2.806,354 5.31,355 3.338,356 2.411,357 2.896,359 6.873,360 2.299,361 3.458,362 2.743,363 5.201,364 3.311,365 2.328,366 2.812,368 6.584,369 2.216,370 3.378,371 2.371,372 5.126,373 3.009,374 2.03,375 2.593,377 6,378 1.981,379 3.268,380 2.183,381 4.514,382 2.876,383 1.856,384 2.451,386 4.655,387 1.879,388 3.246,389 1.795,390 4.399,391 2.73,392 1.776,393 2.399,395 4.512,396 1.691,397 2.743,398 1.529,399 4.134,400 2.326,401 1.341,402 1.849,404 3.485,405 1.32,406 2.5,407 1.372,408 3.802,409 2.155,410 1.215,411 1.5,413 2.738,414 1.141,415 2.433,416 1.171,417 3.781,418 2.072,419 1.119,420 1.411,422 2.501,423 1.062,424 2.307,425 1.077,426 3.461,427 2,428 1,429 1.284,431 2.372,432 1,433 2.24,434 1,435 3.414,436 1.984,437 1,438 1.191,440 2.275,441 0.983,442 2.118,443 0.94,444 3.316,445 1.862,446 0.898,447 1,449 2.1,450 0.864,451 17.467,452 0.472,453 0.872,454 0.024,455 44.5,456 1.203,457 20,458 0.541,459 24.5,460 0.662,461 35.939,462 0.971,463 40.733,464 0.566,465 33.384,466 0.902,467 8.647,468 0.234,469 9.325,470 0.252,471 0.067,472 0.029,473 0.246,479 0.886,480 1.402,481 0.866,482 1.13,483 0.728,484 1.013,485 0.889,486 1.127,487 0.943,488 1.034,489 0.623,490 0.991,491 1.229,492 1.103,493 1.164,494 1.12,495 1.25,496 1.14,497 0.833,498 1.032,499 1.008,500 1.067,501 0.73,502 1.064,503 0.772,504 0.895,505 0.904,506 0.95,507 0.749,508 0.947,509 0.813,510 0.928,511 0.901,512 0.964,513 0.77,514 0.95,515 0.883,516 1.033,517 0.965,518 1.043,519 0.779,520 1.022,521 1.04,522 1.016,523 1.151,524 1.09,525 1.022,526 1.131,527 8,528 0.226,529 4,530 1.569,531 1.499,532 1.104,533 0.769,534 0.272,535 0.352,536 0.301,537 27497,538 68060,539 2.126,540 48.6,541 2,542 17,543 1,544 2,545 4,546 3,547 2,548 4,550 1.772,551 2.027,552 4.07,553 1.471,559 108.452,560 1.506,561 3.8,562 4.956,563 5.378,564 5.493,565 5.493,566 3.517,567 4.757,568 5.179,569 4.314,570 2873.42,571 9.062,572 52496.8,577 444.235,578 1.336,579 5.153,580 0.195,581 0.007,582 0.07,583 0.03,584 0.032,585 0.026,586 0.018,587 0.006,588 0.01,589 0.009,590 0.402,591 0.17,592 0.75,593 0.716,594 211.855,595 -0.024,596 -0.127,597 0.053,598 -0.017,599 -0.035,600 0.018,601 0.014,602 0.046,603 0.007,604 0.01,605 0.067,606 0.011,607 -0.154,608 -0.066,609 -0.19,610 -0.09,611 -0.12,612 -0.14,613 -0.015,614 -0.083,615 -0.039,616 -0.062,617 0.008,618 -0.056,619 0.028,620 0.014,621 0.074,622 0.036,623 0.023,624 0.057,625 0.024,626 0.01,627 0.073,628 0.035,629 0.024,630 0.056,631 -0.001,632 -0.061,633 0.009,634 -0.043,635 -0.007,636 -0.021,637 -0.082,638 -0.042,639 -0.169,640 -0.107,641 -0.11,642 -0.144,643 1.915,644 5.057,645 0.703,646 54.254,647 0.996,648 1.135,649 2.868,650 8.228,651 0.647,652 3.738,653 4.06,654 4.29,655 4.522,656 4.7,657 4.779,658 4.89,659 4.977,660 5.05,661 5.136,662 10.385,663 0.61,664 501.7,665 3.738,666 5.283,667 6.12,668 6.991,669 7.843,670 8.717,671 9.577,672 10.452,673 11.316,674 12.193,675 9.7,677 1,678 1,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 72,716 22,717 2,718 41,720 76,721 28,722 16,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 4,745 17,746 11,747 1,750 1,755 1,759 1,764 35,765 7,766 4,767 9,773 7,777 0.8,778 2,781 1,788 1,792 2,793 3,796 1,805 1,814 1,815 1,817 1,819 4,823 1,827 37,832 1,833 9,834 2,838 1,839 1,844 1,847 2.8,848 1,850 1,854 18.25,855 12.75,856 8.042,857 4.352,858 3.692,859 1.434,860 0.97,861 8.011,862 12.199,863 3.98,864 4.554,865 5.089,866 5.662,867 6.103,868 6.436,869 6.861,870 7.252,871 7.421,872 7.647,873 0.917,874 53,875 13.706,877 5.822,878 7.633,879 26.696,881 22.337,883 2.133,884 78.917,888 364.904,889 143.417,890 91.156,892 67.828,895 143.417,896 432.732,897 91.156,898 8.825,899 38.677,900 136.075,901 103.955,902 36.267,903 13.915,904 329.591,906 364.904,907 234.573,908 67.828,911 294.278,912 95.772,913 42.683,915 104.559,916 96.688,917 33.326,919 364.904,920 158.985,921 143.417,924 364.904,925 41.973,926 106.467,927 52.807,928 101.154,929 364.904,930 158.985,931 143.417,933 0.581,934 0.325,935 0.17,936 0.089,937 27,938 11,939 0.132,940 10,941 1,942 1.077,943 5.05,944 336.931,945 0.077,946 26,947 180.75,951 25.616,952 11.572,953 6.65,954 2.39,955 140.3,956 19.706,957 7.815,958 3.391,961 4.307,962 1.92,963 95.49,964 667.305,965 52.5,970 11.151,974 -0.074,975 71.738,976 81.72,977 0.244,978 0.616,979 0.803,980 0.872,981 0.89,982 0.89,983 5.222,984 1.856,985 6.111,986 6,987 4.745,988 5.242,989 2.183,990 6.911,991 4.675,992 6.417,993 1.776,994 7.664,995 4.655,996 4.369,997 5.017,998 1.668,999 7.993,1000 4.26,1001 7.721,1002 1.341,1003 9.324,1004 4.512,1005 6.368,1006 7.407,1007 2.949,1008 10.974,1009 6.226,1010 9.06,1011 1.215,1012 11.05,1013 3.485,1014 6.836,1015 8.048,1016 3.047,1017 12.916,1018 6.65,1019 10.432,1020 1.119,1021 12.823,1022 2.738,1023 8.296,1024 9.899,1025 4.045,1026 15.473,1027 8.082,1028 11.827,1029 1,1030 14.628,1031 2.501,1032 9.137,1033 10.956,1034 4.412,1035 17.729,1036 8.879,1037 13.239,1038 1,1039 16.457,1040 2.372,1041 10.398,1042 12.591,1043 5.252,1044 20.183,1045 10.111,1046 3.28,1047 0.898,1048 18.304,1049 2.275,1050 11.41,1051 13.865,1052 5.75,1053 22.554,1054 11.081,1055 3.118,1056 11.778,1057 20.165,1058 2.1,1059 12.598,1060 15.41,1061 6.501,1062 24.988,1063 12.237,1064 2.753,1065 10.431,1066 22.038,1067 4.518,1068 13.689,1069 16.795,1070 7.068,1071 27.402,1072 13.289,1073 2.686,1074 8.884,1075 23.92,1076 3.731,1077 14.853,1078 18.305,1079 7.771,1080 29.839,1081 14.419,1082 2.411,1083 7.515,1084 25.809,1085 3.648,1086 15.982,1087 19.747,1088 8.374,1089 32.272,1090 15.508,1091 2.328,1092 6.873,1093 27.705,1094 3.279,1095 17.141,1096 21.247,1097 9.051,1098 34.714,1099 16.631,1100 2.03,1101 6.584,1102 29.606,1103 2.896,1104 18.289,1105 22.718,1106 9.674,1107 37.157,1108 17.739,1109 25495,1110 40266,1111 27.909,1112 46.608,1113 61.497,1114 61.342,1115 61.626,1116 60.813,1117 60.836,1118 77.47,1119 7.027,1120 172.94,1121 58.699,1122 5.568,1123 5.533,1124 6.568,1125 5.297,1126 5.28,1127 7.518,1128 3.306,1129 18.442,1130 5.131,1131 15.322,1132 1.5,1133 1.496,1134 1.503,1135 1.483,1136 1.484,1137 1.89,1138 0.171,1139 4.218,1140 1.432,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 7.43,1146 4.07,1147 3.96,1148 4.003,1149 3.888,1150 3.871,1151 6.446,1152 3.87,1153 3.878,1154 3.93,1155 3.792,1156 3.735,1157 5.135,1158 3.737,1159 3.826,1160 3.899,1161 3.77,1162 3.588,1163 4.927,1164 3.625,1165 3.586,1166 3.654,1167 3.47,1168 3.407,1169 4.753,1170 3.41,1171 3.528,1172 3.58,1173 3.41,1174 3.316,1175 4.316,1176 3.336,1177 3.371,1178 3.446,1179 3.248,1180 3.176,1181 4.252,1182 3.185,1183 3.261,1184 3.333,1185 3.127,1186 3.078,1187 4.168,1188 3.079,1189 0.111,1190 0.086,1191 0.17,1192 0.103,1193 0.08,1194 4.568,1195 0.11,1196 3.533,1197 0.047,1198 6.972,1199 0.287,1200 4.237,1201 0.076,1202 3.28,1203 4.518,1204 1.907,1205 11.778,1206 3.131,1207 1.961,1208 1.936,1209 2.073,1210 2.067,1211 1.428,1212 2.072,1213 1.924,1214 1.893,1215 2.039,1216 2.047,1217 1.279,1218 2.045,1219 1.852,1220 1.8,1221 2.015,1222 2.007,1223 1.167,1224 2.013,1225 1.671,1226 1.617,1227 1.877,1228 1.842,1229 1.117,1230 1.856,1231 1.478,1232 1.42,1233 1.72,1234 1.737,1235 0.852,1236 1.73,1237 1.418,1238 1.347,1239 1.633,1240 1.673,1241 0.825,1242 1.658,1243 1.369,1244 1.303,1245 1.559,1246 1.607,1247 0.74,1248 1.603,1249 1.261,1250 1.185,1251 1.513,1252 1.485,1253 0.689,1254 1.497,1255 4.419,1257 5.74,1258 3.045,1259 7.238,1260 5.283,1261 8.817,1262 7.286,1263 10.442,1265 1.503,1270 11.057,1271 7.762,1272 6.188,1276 2.465,1277 -0.665,1280 43.955,1281 108.452,1282 273.615,1283 356.809,1284 387.215,1285 395.48,1286 395.48,1287 65.242,1288 8.507,1289 111.1,1290 111.1,1291 28,1292 12.734,1293 4.524,1294 3.644,1295 57.408,1296 234,1297 229,1298 0.115,1299 268.668,1300 455.74,1301 647.309,1302 79409,1304 25.667,1305 0.694,1306 0.575,1307 25.667,1308 21.282,1309 17.972,1310 0.438,1311 0.316,1312 12.77,1313 17.281,1314 12.476,1315 10.313,1316 17.972,1317 12.944,1318 16.473,1319 0.289,1320 0.177,1321 16.473,1322 10.064,1323 13.332,1324 0.185,1325 0.1,1326 13.332,1327 7.233,1328 10.917,1329 0.12,1330 0.056,1331 10.917,1332 5.079,1333 8.428,1334 0.077,1335 0.033,1336 8.428,1337 3.588,1338 0.193,1339 112.459,1340 0.189,1341 35.093,1342 0.288,1343 196,1344 505.464,1345 213.527,1346 495.358,1347 679.92,1348 464,1349 227,1350 505.41,1351 244.67,1352 513.633,1353 739.72,1354 482,1355 7.959} {0 CHEMBL327103,1 1.437,2 8.6,3 3.415,4 11.665,5 80.776,6 6.533,7 0.476,8 3.799,9 3.932,10 3.246,11 3.285,12 4.827,13 3.245,14 4.351,15 4.563,16 3.577,17 3.659,18 5.326,19 3.597,20 4.545,21 4.748,22 3.577,23 3.778,24 5.541,25 3.679,26 4.689,27 4.955,28 3.432,29 3.723,30 5.611,31 3.596,32 4.428,33 4.679,34 3.402,35 3.603,36 5.348,37 3.489,38 4.367,39 4.576,40 3.336,41 3.604,42 5.323,43 3.487,44 4.47,45 4.741,46 3.197,47 3.553,48 5.352,49 3.39,50 4.282,51 4.551,52 2.952,53 3.341,54 5.156,55 3.174,56 0.03,57 0.585,58 9.891,59 3.914,60 7.283,61 5.563,62 0.249,63 0.906,64 17.924,65 6.131,66 25.266,67 9.069,68 0.165,69 1.03,70 21.682,71 7.921,72 27.574,73 11.233,74 0.372,75 1.04,76 25.871,77 8.177,78 50.03,79 11.926,80 0.228,81 0.888,82 19.372,83 6.896,84 26.03,85 10.031,86 0.155,87 0.875,88 18.088,89 6.555,90 22.1,91 9.454,92 0.288,93 0.892,94 20.328,95 6.786,96 28.734,97 10.268,98 0.161,99 0.714,100 16.768,101 5.738,102 27.04,103 8.49,104 38,105 29,106 0.256,107 0.595,108 0.775,109 0.795,110 0.795,111 0.795,112 3.057,113 0.991,114 -3.77,115 -3.73,116 -3.55,119 38.1,120 2,121 1,122 1,124 2,125 1,140 3,141 2,142 1,149 1,150 1,156 1,169 6,171 1,172 5,176 3,178 5,182 7,186 3,189 4,193 4,199 4,203 4,206 2,211 7,215 2,222 5,225 1,226 2,229 1,231 1,233 3,242 2,244 2,248 1,249 1,259 508,260 12.93,261 12.93,262 12.93,263 12.93,264 12.93,265 11.671,266 14.266,267 7.598,268 13.199,269 10.339,270 10.339,271 10.339,272 10.339,273 10.339,274 8.313,275 14.273,276 3.617,277 10.744,278 3.955,279 2.053,280 1.042,281 0.929,282 0.929,283 0.929,284 3.71,287 1,288 1,289 1,290 346,291 3.742,294 45.793,295 51.774,298 81.814,302 1.46,303 15.163,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 43,315 172,316 4.552,317 3.796,318 6.548,319 4.08,320 3.097,321 4.504,322 2.443,323 10.366,324 3.045,325 3.939,326 3.171,327 5.808,328 3.673,329 2.698,330 3.248,331 0.8,332 7.845,333 2.619,334 3.583,335 2.642,336 5.244,337 3.258,338 2.295,339 2.871,340 0.286,341 6.432,342 2.21,343 3.36,344 2.517,345 5.092,346 3.099,347 2.166,348 2.656,350 5.937,351 2.01,352 3.145,353 2.069,354 4.624,355 2.842,356 1.88,357 2.182,359 5.024,360 1.8,361 2.719,362 1.777,363 4.134,364 2.248,365 1.276,366 1.813,368 3.464,369 1.238,370 2.335,371 1.321,372 3.534,373 2.058,374 1.063,375 1.253,377 2.433,378 1.04,379 2.198,380 0.996,381 3.268,382 1.777,383 0.815,384 1.068,386 1.857,387 0.78,388 1.602,389 0.704,390 2.879,391 1.365,392 0.392,393 0.465,395 0.903,396 0.38,397 1.168,398 0.401,399 2.533,400 0.756,401 -0.204,402 -0.26,404 -0.517,405 -0.192,406 0.637,407 -0.24,408 2.181,409 0.212,410 -0.758,411 -0.91,413 -1.966,414 -0.727,415 0.595,416 -0.581,417 2,418 0.136,419 -0.858,420 -1,422 -2,423 -0.851,424 0.14,425 -0.6,426 1.889,428 -1,429 -1,431 -2,432 -0.9,434 -0.872,435 1.624,436 -0.1,437 -1,438 -1.263,440 -2.624,441 -1,443 -1,444 1.355,445 -0.178,446 -1.147,447 -1.456,449 -3.101,450 -1.1,451 9.467,452 0.473,453 0.617,454 0.031,455 22.5,456 1.125,457 10,458 0.5,459 12.5,460 0.625,461 16.774,462 0.839,463 22.933,464 0.546,465 15.36,466 0.768,467 4.389,468 0.219,469 5.08,470 0.254,471 0.246,473 0.359,479 0.802,480 1.497,481 0.918,482 1.279,483 0.635,484 1.133,485 0.831,486 0.93,487 0.843,488 0.857,489 0.49,490 0.831,491 1.141,492 1.271,493 1.104,494 1.271,495 0.933,496 1.198,497 1.556,498 0.816,499 1.025,500 0.792,501 1.553,502 0.839,503 0.766,504 0.938,505 0.85,506 0.967,507 0.895,508 0.928,509 1.11,510 1.314,511 1.183,512 1.268,513 0.977,514 1.246,515 0.748,516 0.998,517 1.034,518 1.051,519 0.734,520 1.071,521 1,522 1.121,523 1.054,524 1.125,525 1.317,526 1.106,527 5,528 0.066,529 2.444,530 1.104,531 0.973,532 0.566,533 0.522,534 0.372,535 0.177,536 0.08,537 3418,538 7881,539 1.938,540 52.4,541 6,542 11,543 1,545 1,546 1,547 2,550 1.618,551 1.765,552 3.117,553 -0.32,555 1,557 1,559 60.37,560 1.437,561 3.339,562 4.35,563 4.463,564 4.463,565 4.463,566 2.504,567 4.022,568 4.288,569 3.262,570 619.836,571 7.332,572 6408.39,573 1,574 1,576 1,577 226.477,578 1.559,579 4.219,580 0.238,581 0.011,582 0.084,583 0.041,584 0.042,585 0.025,586 0.025,587 0.022,588 0.014,589 0.013,590 0.515,591 0.67,592 1,593 1.713,594 88.944,595 -0.006,596 -0.218,597 0.05,598 -0.104,599 -0.049,600 -0.032,601 0.128,602 0.213,603 0.15,604 0.176,605 0.169,606 0.179,607 -0.077,608 -0.208,609 -0.12,610 -0.213,611 -0.001,612 -0.177,613 -0.19,614 0.096,615 -0.004,616 0.145,617 -0.143,618 0.1,619 0.125,620 0.071,621 0.118,622 0.036,623 0.05,624 0.069,625 -0.128,626 -0.244,627 -0.209,628 -0.215,629 -0.119,630 -0.226,631 0.101,632 -0.009,633 -0.071,634 -0.092,635 0.047,636 -0.103,637 -0.059,638 -0.184,639 -0.088,640 -0.152,641 -0.088,642 -0.13,643 1.866,644 4.65,645 0.45,646 16.68,647 0.993,648 1.133,649 2.538,650 6.441,651 0.632,652 3.091,653 3.401,654 3.584,655 3.784,656 3.989,657 4.06,658 4.19,659 4.29,660 4.06,661 3.951,662 5.289,663 0.589,664 274.4,665 3.091,666 4.615,667 5.434,668 6.297,669 7.148,670 8.018,671 8.883,672 9.759,673 10.632,674 11.511,675 4.8,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 42,716 11,717 1,718 21,720 43,721 16,722 8,723 3,724 3,730 2,731 3,736 2,743 1,745 9,746 7,747 1,750 1,755 1,759 1,760 1,761 1,764 22,765 3,766 1,767 4,773 2,777 0.5,778 2,788 1,792 1,793 1,796 1,808 1,815 1,819 1,823 4,827 20,833 2,835 1,837 1,838 1,847 4.8,850 1,852 1,854 11.333,855 8.7,856 4.417,857 2.549,858 2.161,859 1.338,860 0.933,861 4.709,862 8.556,863 3.332,864 3.917,865 4.473,866 5.064,867 5.571,868 5.918,869 6.334,870 6.697,871 6.512,872 6.577,873 0.833,874 27,875 7.396,877 2.99,878 7.683,879 14.281,881 11.269,883 2.183,884 43.667,885 0.001,888 247.193,889 96.897,890 19.91,892 36.145,895 96.897,896 283.338,897 19.91,898 34.443,899 4.64,900 37.476,901 32.336,902 41.912,903 13.915,904 235.422,906 247.193,907 116.807,908 36.145,911 223.651,912 59.687,915 42.2,916 74.606,919 247.193,920 56.055,921 96.897,924 247.193,925 24.978,926 75.044,927 16.786,928 36.145,929 247.193,930 56.055,931 96.897,933 0.584,934 0.314,935 0.147,936 0.087,937 13,938 7,939 0.14,940 6,941 1,942 1.222,943 3.173,944 141.225,945 0.222,946 9,947 82.439,951 14.919,952 6.313,953 3.769,954 2.198,955 39.269,956 7.756,958 3.256,961 1.859,963 16.786,964 400.145,965 27,970 11.65,974 -0.199,975 41.694,976 47.567,977 0.267,978 0.619,979 0.807,980 0.828,981 0.828,982 0.828,983 4.559,984 0.815,985 5.434,986 2.433,987 4.078,988 4.6,989 2.485,990 6.213,991 4.009,992 5.768,993 0.392,994 6.984,995 1.857,996 3.761,997 4.527,998 2.283,999 7.086,1000 3.672,1001 7.072,1002 -0.204,1003 8.631,1004 0.903,1005 5.645,1006 6.824,1007 3.851,1008 10.129,1009 5.522,1010 8.414,1011 -0.758,1012 10.332,1013 -0.517,1014 6.089,1015 7.593,1016 4.273,1017 11.828,1018 5.957,1019 9.79,1020 -0.858,1021 12.069,1022 -1.966,1023 7.498,1024 9.417,1025 5.487,1026 14.41,1027 7.338,1028 11.19,1029 -1,1030 13.832,1031 -2,1032 8.288,1033 10.585,1034 6.159,1035 16.472,1036 8.124,1037 12.611,1038 -1,1039 15.613,1040 -2,1041 9.513,1042 12.22,1043 7.208,1044 18.892,1045 9.326,1046 3.097,1047 -1.147,1048 17.41,1049 -2.624,1050 10.471,1051 13.576,1052 7.992,1053 21.113,1054 10.277,1055 2.698,1056 10.366,1057 19.22,1058 -3.101,1059 11.622,1060 15.133,1061 8.963,1062 23.476,1063 11.411,1064 2.295,1065 7.845,1066 21.04,1067 4.504,1068 12.662,1069 16.573,1070 9.802,1071 25.764,1072 12.441,1073 2.166,1074 6.432,1075 22.869,1076 3.248,1077 13.787,1078 18.099,1079 10.734,1080 28.109,1081 13.55,1082 1.88,1083 5.937,1084 24.705,1085 2.871,1086 14.867,1087 19.575,1088 11.599,1089 30.425,1090 14.619,1091 1.276,1092 5.024,1093 26.547,1094 2.656,1095 15.985,1096 21.088,1097 12.512,1098 32.764,1099 15.721,1100 1.063,1101 3.464,1102 28.394,1103 2.182,1104 17.086,1105 22.581,1106 13.391,1107 35.092,1108 16.808,1109 3587,1110 5550,1111 13.235,1112 26.534,1113 31.721,1114 32.425,1115 32.55,1116 31.4,1117 31.364,1118 40.123,1119 7.058,1120 88.523,1121 30.245,1122 5.388,1123 5.796,1124 5.931,1125 5.136,1126 5.097,1127 7.504,1128 4.174,1129 17.031,1130 5.045,1131 12.474,1132 1.511,1133 1.544,1134 1.55,1135 1.495,1136 1.494,1137 1.911,1138 0.336,1139 4.215,1140 1.44,1141 4.131,1142 4.163,1143 4.09,1144 4.045,1145 7.432,1146 4.052,1147 3.718,1148 3.758,1149 3.622,1150 3.55,1151 4.983,1152 3.555,1153 3.651,1154 3.735,1155 3.504,1156 3.464,1157 4.505,1158 3.461,1159 3.411,1160 3.466,1161 3.295,1162 3.241,1163 4.313,1164 3.247,1165 3.145,1166 3.231,1167 2.971,1168 2.929,1169 4.129,1170 2.93,1171 2.948,1172 3.009,1173 2.797,1174 2.738,1175 3.891,1176 2.721,1177 2.874,1178 3.009,1179 2.669,1180 2.618,1181 3.702,1182 2.622,1183 2.874,1184 2.983,1185 2.499,1186 2.618,1187 3.488,1188 2.57,1189 0.217,1190 0.181,1191 0.312,1192 0.194,1193 0.147,1194 4.552,1195 0.214,1196 3.796,1197 0.116,1198 6.548,1199 0.494,1200 4.08,1201 0.145,1202 3.097,1203 4.504,1204 2.443,1205 10.366,1206 3.045,1207 1.937,1208 1.919,1209 2.024,1210 2.029,1211 1.25,1212 2.026,1213 1.69,1214 1.634,1215 1.923,1216 1.902,1217 1.115,1218 1.91,1219 1.663,1220 1.606,1221 1.893,1222 1.852,1223 1.059,1224 1.871,1225 1.449,1226 1.367,1227 1.692,1228 1.69,1229 0.784,1230 1.694,1231 1.135,1232 1.068,1233 1.42,1234 1.401,1235 0.509,1236 1.412,1237 0.934,1238 0.857,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.911,1250 0.804,1251 1.13,1252 1.195,1253 0.244,1254 1.159,1255 3.761,1257 5.069,1258 2.398,1259 6.547,1260 4.727,1261 8.107,1262 6.823,1263 9.719,1265 7.786,1271 1.956,1273 5.371,1275 -0.12,1276 2.154,1280 24.74,1281 60.37,1282 140.236,1283 182.703,1284 187.458,1285 187.458,1286 187.458,1287 34.247,1288 6.395,1289 45.33,1290 45.33,1291 11,1292 12.049,1293 3.585,1294 2.807,1295 36.401,1296 62,1297 59,1298 0.295,1299 156.405,1300 265.22,1301 373.389,1302 4146,1304 14.698,1305 0.735,1306 0.628,1307 14.698,1308 12.565,1309 9.469,1310 0.451,1311 0.33,1312 6.835,1313 9.094,1314 6.493,1315 5.521,1316 9.469,1317 6.935,1318 8.869,1319 0.306,1320 0.195,1321 8.869,1322 5.65,1323 6.628,1324 0.189,1325 0.093,1326 6.628,1327 3.257,1328 4.855,1329 0.113,1330 0.047,1331 4.855,1332 2.006,1333 3.998,1334 0.075,1335 0.027,1336 3.998,1337 1.416,1338 0.456,1339 59.445,1340 0.275,1341 19.925,1342 0.827,1343 100,1344 279.449,1345 109.668,1346 268.256,1347 362.92,1348 250,1349 114,1350 265.289,1351 123.81,1352 270.671,1353 390.05,1354 251,1355 7.009} {0 CHEMBL329207,1 1.469,2 11.864,3 2.256,4 5.09,5 88.984,6 6.782,7 0.5,8 3.87,9 4.008,10 3.363,11 3.367,12 4.87,13 3.338,14 4.423,15 4.619,16 3.638,17 3.734,18 5.359,19 3.668,20 4.696,21 4.951,22 3.61,23 3.829,24 5.507,25 3.716,26 4.652,27 4.923,28 3.378,29 3.739,30 5.402,31 3.585,32 4.574,33 4.862,34 3.223,35 3.653,36 5.256,37 3.475,38 4.491,39 4.789,40 3.125,41 3.534,42 5.186,43 3.354,44 4.369,45 4.666,46 3.053,47 3.409,48 5.089,49 3.241,50 4.227,51 4.517,52 2.967,53 3.312,54 4.968,55 3.158,56 0.039,57 0.662,58 10.178,59 3.849,60 7.533,61 5.586,62 0.196,63 1.025,64 18.722,65 6.384,66 19.2,67 9.351,68 0.318,69 1.169,70 25.622,71 8.226,72 27.103,73 12.354,74 0.325,75 1.091,76 24.627,77 7.997,78 26.029,79 11.978,80 0.212,81 0.997,82 22.607,83 7.632,84 20.098,85 11.638,86 0.22,87 0.909,88 20.913,89 6.853,90 20.932,91 10.574,92 0.236,93 0.805,94 18.594,95 5.805,96 19.563,97 9.137,98 0.19,99 0.719,100 16.009,101 5.052,102 16.95,103 7.861,105 30,106 0.258,107 0.598,108 0.802,109 0.902,110 0.91,111 0.91,112 3.144,113 0.984,114 -3.83,115 -3.79,116 -3.6,119 38.6,121 3,125 3,127 1,140 5,141 1,142 1,143 1,145 1,146 1,169 6,171 1,172 5,174 1,176 3,178 6,182 3,184 1,186 1,189 5,193 2,195 1,196 1,197 1,199 4,203 1,208 2,211 2,215 1,218 1,220 3,222 1,229 1,231 2,233 2,240 1,242 1,244 2,248 1,249 2,254 2,256 2,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 13.963,266 21.084,267 9.798,268 15.857,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 9.778,275 30.841,276 4.74,277 12.553,278 3.991,279 2.048,280 0.889,281 0.318,282 0.273,283 0.273,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 13.213,304 1,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 47,315 261,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 0.86,323 9.226,324 2.805,325 3.896,326 2.66,327 5.34,328 3.456,329 2.522,330 3.444,331 0.4,332 6.965,333 2.354,334 3.388,335 2.554,336 5.257,337 3.259,338 2.303,339 2.443,340 0.4,341 6.678,342 2.189,343 2.962,344 1.988,345 4.415,346 2.71,347 1.755,348 2.12,350 4.371,351 1.675,352 2.928,353 1.88,354 3.819,355 2.59,356 1.618,357 2.076,359 3.579,360 1.567,361 2.86,362 1.629,363 3.631,364 2.424,365 1.492,366 1.986,368 3.117,369 1.398,370 2.682,371 1.466,372 3.584,373 2.369,374 1.401,375 1.693,377 2.988,378 1.34,379 2.5,380 1.227,381 3.266,382 1.983,383 1.046,384 1.5,386 2.227,387 0.978,388 2.127,389 1,390 3.247,391 1.941,392 1,393 1.11,395 2.136,396 0.938,397 1.887,398 0.805,399 3.136,400 1.667,401 0.695,402 0.806,404 1.589,405 0.672,406 1.428,407 0.569,408 2.755,409 1.266,410 0.335,411 0.359,413 0.747,414 0.311,415 0.947,416 -0.026,417 2.338,418 0.716,419 -0.225,420 -0.249,422 -0.524,423 -0.211,424 0.706,425 -0.291,426 2.131,427 0.388,428 -0.555,429 -0.637,431 -1.23,432 -0.519,433 0.686,434 -0.36,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.596,441 -0.596,442 0.5,443 -0.707,444 1.773,445 0.052,446 -0.888,447 -1.05,449 -1.918,450 -0.83,451 10.433,452 0.474,453 0.256,454 0.012,455 27.5,456 1.25,457 13,458 0.591,459 14.5,460 0.659,461 16.365,462 0.744,463 24.367,464 0.554,465 15.889,466 0.722,467 5.323,468 0.242,469 5.593,470 0.254,473 0.192,479 0.965,480 1.451,481 0.884,482 1.196,483 0.826,484 1.051,485 1.203,486 1.132,487 1.08,488 1.143,489 1.006,490 1.1,491 1.305,492 0.987,493 1.017,494 0.973,495 1.058,496 0.97,497 1.238,498 0.88,499 1.13,500 1.002,501 1.121,502 1.053,503 0.911,504 0.99,505 1.016,506 1.033,507 0.922,508 1.042,509 0.831,510 0.943,511 0.973,512 0.993,513 0.861,514 1.001,515 0.871,516 0.944,517 0.953,518 0.926,519 0.883,520 0.946,521 0.935,522 0.848,523 1.002,524 0.91,525 1.03,526 0.949,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 15080,539 2.153,540 50,541 2,542 12,544 2,545 2,547 2,548 2,550 1.632,551 2.129,552 3.537,553 0.304,554 1,555 1,557 1,559 64.621,560 1.469,561 3.411,562 4.57,563 5.141,564 5.187,565 5.187,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,576 1,577 240.215,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.67,592 1,594 105.786,595 -0.032,596 -0.193,597 0.06,598 -0.071,599 0.072,600 -0.003,601 -0.034,602 0.006,603 -0.098,604 -0.116,605 0.039,606 -0.113,607 -0.052,608 -0.024,609 -0.017,610 0.003,611 -0.006,612 -0.002,613 -0.096,614 0.065,615 -0.138,616 -0.042,617 -0.135,618 -0.091,619 -0.064,620 -0.083,621 -0.053,622 -0.055,623 -0.085,624 -0.054,625 0.009,626 -0.043,627 -0.004,628 -0.037,629 -0.002,630 -0.026,631 0.052,632 -0.037,633 0.027,634 0.015,635 0.016,636 0.016,637 -0.037,638 0.1,639 -0.024,640 0.033,641 -0.108,642 0.012,643 1.051,644 2.513,645 0.727,646 20,647 0.993,648 1.135,649 2.599,650 6.755,651 0.644,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.603,664 298.43,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 9.1,677 1,680 1,685 2,688 7,689 2,693 3,695 12,707 1,712 1,714 44,716 12,717 1,718 24,720 46,721 17,722 10,723 2,724 4,730 3,731 4,740 3,743 4,745 10,746 7,760 1,761 1,764 22,765 5,766 2,767 5,773 4,777 0.667,778 1,787 1,793 3,797 1,814 1,819 2,827 22,833 6,834 2,835 1,837 1,847 2.3,852 1,854 10.333,855 7.483,856 5.028,857 2.75,858 2.01,859 1.299,860 0.974,861 5.488,862 8.73,863 3.434,864 3.892,865 4.35,866 4.8,867 5.251,868 5.01,869 5.125,870 5.264,871 5.376,872 5.046,873 0.875,874 28,875 8.122,877 3.305,878 7.492,879 15.993,881 12.878,883 1.992,884 43.833,885 0.001,888 235.422,889 89.725,890 69.593,892 11,895 89.725,896 246.422,897 69.593,899 13.921,900 65.392,901 75.124,902 37.095,903 2.328,904 211.88,906 235.422,907 159.317,908 11,911 188.338,912 58.084,915 49.597,916 58.138,917 51.582,919 235.422,920 80.592,921 89.725,924 235.422,925 24.678,926 65.047,927 36.022,928 44.571,929 235.422,930 80.592,931 89.725,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.152,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 98.107,951 15.104,952 7.994,953 4.596,955 80.592,956 13.495,957 8.022,961 3.251,963 36.022,964 405.739,965 30,975 43.687,976 49.939,977 0.269,978 0.625,979 0.837,980 0.942,981 0.95,982 0.95,983 4.605,984 1.046,985 5.389,986 2.988,987 4.111,988 4.575,989 1.138,990 6.057,991 4.011,992 5.712,993 1,994 6.843,995 2.227,996 3.219,997 3.861,999 6.629,1000 3.066,1001 6.939,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.566,1007 0.787,1008 9.728,1009 5.352,1010 8.2,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.75,1017 11.237,1018 5.31,1019 9.499,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.861,1025 0.602,1026 13.773,1027 6.962,1028 10.824,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.509,1035 15.673,1036 7.408,1037 12.172,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.31,1043 0.471,1044 18.008,1045 8.74,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.217,1053 20.081,1054 9.454,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.84,1061 0.367,1062 22.343,1063 10.625,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.901,1071 24.495,1072 11.485,1073 1.755,1074 6.678,1075 22.154,1076 3.444,1077 13.114,1078 16.414,1079 0.283,1080 26.73,1081 12.576,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.571,1089 28.918,1090 13.515,1091 1.492,1092 3.579,1093 25.723,1094 2.12,1095 15.185,1096 19.017,1097 0.217,1098 31.143,1099 14.569,1100 1.401,1101 3.117,1102 27.515,1103 2.076,1104 16.206,1105 20.235,1107 33.348,1108 15.549,1109 6065,1110 9383,1111 16.871,1112 28.33,1113 34.271,1114 34.4,1115 34.265,1116 34.194,1117 34.181,1118 42.706,1119 3.32,1120 87.247,1121 32.456,1122 5.184,1123 5.256,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 1.72,1129 15.535,1130 4.805,1132 1.428,1133 1.433,1134 1.428,1135 1.425,1136 1.424,1137 1.779,1138 0.138,1139 3.635,1140 1.352,1141 3.984,1142 4.012,1143 3.915,1144 3.896,1145 5.022,1146 3.896,1147 3.849,1148 3.911,1149 3.791,1150 3.669,1151 4.859,1152 3.691,1153 3.673,1154 3.745,1155 3.541,1156 3.508,1157 4.393,1158 3.506,1159 3.513,1160 3.577,1161 3.363,1162 3.373,1163 4.254,1164 3.36,1165 3.233,1166 3.328,1167 3.06,1168 3.026,1169 4.08,1170 3.02,1171 3.004,1172 3.085,1173 2.856,1174 2.781,1175 3.837,1176 2.788,1177 2.847,1178 2.914,1179 2.706,1180 2.679,1181 3.819,1182 2.675,1183 2.775,1184 2.858,1185 2.626,1186 2.588,1187 3.625,1188 2.588,1189 0.176,1190 0.136,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.256,1197 0.036,1198 6.183,1199 0.384,1200 3.882,1201 0.117,1202 2.923,1203 3.815,1204 0.86,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.771,1214 1.713,1215 1.943,1216 1.979,1217 1.212,1218 1.967,1219 1.651,1220 1.587,1221 1.83,1222 1.851,1223 0.997,1224 1.856,1225 1.522,1226 1.46,1227 1.759,1228 1.694,1229 0.801,1230 1.72,1231 1.217,1232 1.132,1233 1.521,1234 1.475,1235 0.728,1236 1.496,1237 0.969,1238 0.888,1239 1.295,1240 1.243,1241 0.496,1242 1.265,1243 0.838,1244 0.77,1245 1.133,1246 1.059,1247 0.244,1248 1.082,1249 0.763,1250 0.682,1251 1.054,1252 0.996,1253 0.151,1254 1.024,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 6.022,1272 6.748,1273 6.013,1275 0.282,1280 26.542,1281 64.621,1282 150.093,1283 201.096,1284 226.215,1285 228.215,1286 228.215,1287 26.912,1288 6.72,1289 59.07,1290 59.07,1291 18,1292 11.843,1293 3.7,1294 2.807,1295 35.009,1296 95,1297 78,1298 0.175,1299 165.269,1300 280.73,1301 395.017,1302 8086,1304 15.037,1305 0.684,1306 0.576,1307 15.037,1308 12.664,1309 10.916,1310 0.455,1311 0.328,1312 7.761,1313 10.505,1314 7.641,1315 6.332,1316 10.916,1317 7.868,1318 8.979,1319 0.299,1320 0.182,1321 8.979,1322 5.465,1323 7.348,1324 0.199,1325 0.102,1326 7.348,1327 3.792,1328 5.928,1329 0.132,1330 0.058,1331 5.928,1332 2.612,1333 4.838,1334 0.088,1335 0.034,1336 4.838,1337 1.847,1338 0.291,1339 68.22,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 285.691,1345 118.535,1346 275.61,1347 381.41,1348 262,1349 121,1350 280.758,1351 131.536,1352 282.202,1353 406.76,1354 267,1355 8} {0 CHEMBL329383,1 2.024,2 9.556,3 4.06,4 16.48,5 111.78,6 11.628,7 0.414,8 3.929,9 4.018,10 3.989,11 3.532,12 5.014,13 3.484,14 4.488,15 4.631,16 4.378,17 3.928,18 5.806,19 3.867,20 4.732,21 4.901,22 4.634,23 4.107,24 5.948,25 4.011,26 4.763,27 4.93,28 4.673,29 4.095,30 6.008,31 3.981,32 4.779,33 4.955,34 4.971,35 4.086,36 6.002,37 3.97,38 4.734,39 4.894,40 4.523,41 4.019,42 6.203,43 3.914,44 4.743,45 4.95,46 4.227,47 3.922,48 5.908,49 3.785,50 4.619,51 4.857,52 4.074,53 3.675,54 5.849,55 3.561,56 0.17,57 0.735,58 2.888,59 4.487,60 19.782,61 4.453,62 0.572,63 1.168,64 11.258,65 7.756,66 59.534,67 7.847,68 0.721,69 1.442,70 33.183,71 11.416,72 57.749,73 11.085,74 0.755,75 1.411,76 48.987,77 12.783,78 69.579,79 12.091,80 0.929,81 1.377,82 73.241,83 13.196,84 88.998,85 11.746,86 1.071,87 1.311,88 28.6,89 11.921,90 133.908,91 11.923,92 0.808,93 1.271,94 45.352,95 12.529,96 99.578,97 12.3,98 1.005,99 1.09,100 43.862,101 9.68,102 117.765,103 9.409,104 38,105 42,106 0.35,107 0.645,108 0.764,109 0.847,110 0.847,111 0.847,112 3.34,113 1.158,114 -3.43,115 -3.41,116 -3.26,117 2,119 37.8,124 1,125 4,140 5,142 7,169 1,171 1,172 2,174 2,176 1,178 4,181 1,182 7,184 1,186 3,189 3,193 5,197 3,202 2,203 2,206 1,208 1,211 3,214 2,215 4,218 2,220 1,222 3,226 1,231 1,233 5,237 2,240 2,241 1,244 2,249 3,259 1080,260 17.687,261 17.687,262 17.687,263 17.687,264 17.687,265 15.843,266 22.681,267 10.19,268 18.536,269 14.216,270 14.216,271 14.216,272 14.216,273 14.216,274 11.313,275 27.629,276 4.736,277 15.672,278 3.468,279 1.762,280 1.075,281 0.595,282 0.595,283 0.595,284 4.014,289 1,290 541,291 3.464,295 277.071,302 1.531,303 42.194,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 59.5,315 258,316 4.87,317 4.688,318 7.319,319 4.337,320 3.417,321 4.721,322 0.86,323 12.57,324 3.117,325 4.359,326 3.416,327 6.5,328 3.943,329 3.01,330 4.051,331 0.8,332 10.18,333 2.81,334 4.258,335 3.265,336 6.356,337 3.832,338 2.923,339 3.823,340 0.4,341 9.494,342 2.587,343 3.443,344 2.735,345 5.241,346 3.171,347 2.239,348 2.76,350 6.34,351 2.083,352 3.391,353 2.595,354 5.129,355 2.913,356 2.089,357 2.568,359 5.891,360 1.797,361 3.271,362 2.41,363 4.971,364 2.862,365 1.939,366 2.476,368 5.7,369 1.558,370 3.087,371 1.921,372 4.732,373 2.573,374 1.611,375 2.285,377 4.795,378 1.517,379 2.743,380 1.797,381 4.101,382 2.491,383 1.549,384 1.792,386 3.578,387 1.454,388 2.225,389 1.491,390 3.482,391 1.967,392 1,393 1.19,395 2.477,396 0.965,397 2,398 1.184,399 3.417,400 1.955,401 1,402 1,404 2.136,405 0.952,406 1.712,407 1.146,408 3.247,409 1.422,410 0.575,411 0.632,413 1.298,414 0.474,415 1.684,416 1.05,417 3,418 1.219,419 0.5,420 0.564,422 0.893,423 0.273,424 1.14,425 0.351,426 2.786,427 0.726,428 -0.187,429 -0.235,431 -0.525,432 -0.159,433 1,434 0.237,435 2.669,436 0.543,437 -0.382,438 -0.441,440 -0.775,441 -0.301,442 0.873,443 0.011,444 2.536,445 0.278,446 -0.562,447 -0.653,449 -1.347,450 -0.348,451 14.486,452 0.537,453 0.858,454 0.032,455 33.75,456 1.25,457 16.5,458 0.611,459 17.25,460 0.639,461 27.323,462 1.012,463 29.314,464 0.651,465 24.156,466 0.895,467 6.2,468 0.23,469 6.614,470 0.245,471 0.284,472 0.058,473 0.269,477 1,479 0.622,480 1.238,481 0.505,482 0.944,483 0.609,484 0.846,485 0.843,486 0.972,487 0.572,488 0.679,489 0.56,490 0.746,491 0.928,492 1.004,493 0.855,494 0.934,495 0.836,496 0.907,497 0.924,498 1.036,499 0.817,500 1.037,501 0.949,502 1.027,503 0.993,504 0.819,505 0.512,506 0.79,507 1.139,508 0.863,509 0.638,510 0.979,511 0.596,512 0.998,513 0.634,514 1.011,515 1.112,516 0.993,517 0.767,518 1.009,519 1.208,520 1.002,521 1.428,522 0.678,523 0.899,524 0.653,525 1.639,526 0.789,527 7,528 0.153,529 4,530 2.5,531 1.969,532 1.41,533 0.731,534 0.392,535 0.295,536 0.25,537 7855,538 29699,539 1.984,540 40,542 16,545 2,550 1.705,551 1.81,552 3.244,553 0.377,559 91.078,560 2.024,561 3.73,562 4.417,563 4.897,564 4.897,565 4.897,566 2.672,567 4.459,568 4.729,569 3.414,570 1198.37,571 8.232,572 15113.3,577 247.133,578 1.698,579 4.65,580 0.241,581 0.008,582 0.095,583 0.056,584 0.047,585 0.034,586 0.018,587 0.013,588 0.012,589 0.011,590 0.536,591 0.33,592 0.88,593 0.834,594 132.15,595 0.003,596 -0.164,597 0.015,598 -0.081,599 -0.101,600 0.005,602 0.026,603 0.015,604 0.131,605 0.166,606 0.109,607 -0.047,608 0.011,609 -0.006,610 0.006,611 0.006,612 0.029,613 -0.012,614 -0.119,615 0.027,616 -0.07,618 -0.064,619 0.017,620 0.072,621 0.255,622 0.132,623 -0.097,624 0.085,625 0.355,626 -0.065,627 0.042,628 -0.07,629 0.368,630 -0.063,631 -0.172,632 -0.167,633 -0.035,634 -0.051,635 -0.115,636 -0.009,637 -0.24,638 0.217,639 -0.032,640 0.206,641 -0.253,642 0.159,643 4.838,644 5.883,645 0.667,646 22.667,647 1.029,648 1.129,649 2.203,650 4.854,651 0.723,652 3.401,653 3.761,654 4.007,655 4.234,656 4.466,657 4.522,658 4.511,659 4.533,660 4.585,661 4.605,662 5.958,663 0.679,664 523.25,665 3.401,666 4.963,667 5.814,668 6.708,669 7.58,670 8.478,671 9.357,672 10.256,673 11.138,674 12.038,675 6.7,677 1,680 1,681 1,688 5,693 7,695 12,709 1,712 1,713 3,714 45,716 14,717 2,718 29,719 2,720 47,721 17,722 12,723 7,724 5,730 3,731 3,745 12,746 5,750 2,753 1,755 2,762 1,764 18,765 7,766 2,767 10,768 3,773 3,777 1,778 3,793 3,814 1,819 3,821 1,822 2,823 1,825 1,827 27,830 1,833 4,834 2,835 1,838 1,846 3,847 6.7,850 2,852 1,854 14.917,855 8.212,856 5.903,857 2.482,858 2.221,859 1.313,860 0.996,861 6.691,862 9.307,863 3.638,864 4.277,865 4.766,866 5.281,867 5.799,868 6.039,869 6.176,870 6.32,871 6.528,872 6.781,873 1,874 45,875 10.333,877 4.732,878 8.04,879 18.797,881 15.499,883 2.54,884 68.583,888 188.338,889 100.033,890 129.448,892 55.313,893 14.96,894 5.807,895 186.134,896 243.65,897 52.5,898 10.883,899 8.423,900 71.199,901 60.718,902 41.663,903 14.96,904 188.338,905 91.908,906 188.338,907 131.766,908 70.273,909 5.807,910 91.908,911 203.298,912 55.313,915 26.434,916 88.927,917 22.212,918 91.908,919 203.298,920 92.853,921 191.942,923 5.807,924 188.338,925 35.962,926 61.389,927 126.324,928 70.273,929 188.338,930 107.813,931 191.942,933 0.592,934 0.349,935 0.181,936 0.102,937 20,938 10,939 0.106,940 5,942 1,943 3.676,944 232.531,946 18,947 122.382,950 1,951 20.866,952 8.658,953 4.768,955 107.813,956 7.412,961 1.401,963 34.416,964 488.092,965 37,968 -3.921,970 25.739,975 46.287,976 50.803,977 0.369,978 0.679,979 0.804,980 0.892,981 0.892,982 0.892,983 4.905,984 1.549,985 5.855,986 4.795,987 4.443,988 4.963,989 1.324,990 6.73,991 4.254,992 6.156,993 1,994 7.469,995 3.578,996 4.29,997 5.156,998 0.325,999 7.958,1000 3.943,1001 7.523,1002 1,1003 9.196,1004 2.477,1005 6.151,1006 7.296,1007 0.958,1008 11.001,1009 5.796,1010 8.932,1011 0.575,1012 10.989,1013 2.136,1014 6.781,1015 8.269,1016 0.268,1017 13.025,1018 6.267,1019 10.377,1020 0.5,1021 12.826,1022 1.298,1023 8.192,1024 9.993,1025 0.736,1026 15.676,1027 7.661,1028 11.845,1029 -0.187,1030 14.693,1031 0.893,1032 9.151,1033 11.28,1034 0.188,1035 17.998,1036 8.48,1037 13.333,1038 -0.382,1039 16.582,1040 -0.525,1041 10.411,1042 12.87,1043 0.57,1044 20.54,1045 9.697,1046 3.417,1047 -0.562,1048 18.488,1049 -0.775,1050 11.507,1051 14.29,1052 0.125,1053 22.976,1054 10.674,1055 3.01,1056 12.57,1057 20.406,1058 -1.347,1059 12.718,1060 15.836,1061 0.439,1062 25.491,1063 11.821,1064 2.923,1065 10.18,1066 22.335,1067 4.721,1068 13.874,1069 17.314,1070 0.082,1071 27.974,1072 12.87,1073 2.239,1074 9.494,1075 24.273,1076 4.051,1077 15.073,1078 18.848,1079 0.334,1080 30.487,1081 13.993,1082 2.089,1083 6.34,1084 26.218,1085 3.823,1086 16.255,1087 20.356,1088 0.054,1089 32.992,1090 15.076,1091 1.939,1092 5.891,1093 28.168,1094 2.76,1095 17.455,1096 21.889,1097 0.252,1098 35.509,1099 16.192,1100 1.611,1101 5.7,1102 30.123,1103 2.568,1104 18.65,1105 23.412,1106 0.035,1107 38.024,1108 17.293,1109 7774,1110 15390,1111 18.493,1112 32.523,1113 43.466,1114 45.843,1115 45.471,1116 43.854,1117 43.701,1118 55.724,1119 4.12,1120 130.703,1121 39.172,1122 5.87,1123 6.688,1124 7.121,1125 5.41,1126 5.417,1127 7.721,1128 1.72,1129 20.08,1130 5.117,1131 15.926,1132 1.499,1133 1.581,1134 1.568,1135 1.512,1136 1.507,1137 1.922,1138 0.142,1139 4.507,1140 1.351,1141 4.104,1142 4.092,1143 6.887,1144 4.082,1145 8.201,1146 4.006,1147 3.893,1148 3.921,1149 6.874,1150 3.857,1151 7.717,1152 3.834,1153 3.778,1154 3.814,1155 4.735,1156 3.632,1157 6.999,1158 3.596,1159 3.58,1160 3.572,1161 3.827,1162 3.442,1163 4.841,1164 3.408,1165 3.195,1166 3.268,1167 3.637,1168 3.013,1169 4.649,1170 2.922,1171 3.111,1172 3.206,1173 3.537,1174 2.941,1175 4.403,1176 2.91,1177 2.98,1178 3.076,1179 3.005,1180 2.912,1181 4.291,1182 2.88,1183 2.925,1184 2.951,1185 2.866,1186 2.772,1187 3.916,1188 2.776,1189 0.168,1190 0.162,1191 0.252,1192 0.15,1193 0.118,1194 4.87,1195 0.163,1196 4.688,1197 0.03,1198 7.319,1199 0.433,1200 4.337,1201 0.107,1202 3.417,1203 4.721,1204 0.86,1205 12.57,1206 3.117,1207 1.979,1208 1.986,1209 2.02,1210 2.078,1211 1.289,1212 2.094,1213 1.856,1214 1.84,1215 1.88,1216 1.961,1217 1.145,1218 1.973,1219 1.699,1220 1.643,1221 1.845,1222 1.87,1223 1.04,1224 1.883,1225 1.415,1226 1.44,1227 1.568,1228 1.613,1229 0.825,1230 1.635,1231 1.153,1232 1.069,1233 1.513,1234 1.435,1235 0.615,1236 1.466,1237 1.147,1238 1.064,1239 1.215,1240 1.376,1241 0.513,1242 1.429,1243 0.935,1244 0.857,1245 1.184,1246 1.217,1247 0.352,1248 1.222,1249 0.83,1250 0.832,1251 1.053,1252 1.035,1253 0.142,1254 1.037,1255 4.078,1257 5.425,1259 6.973,1261 8.608,1263 10.287,1264 6.25,1265 1.55,1267 13.883,1271 3.108,1272 5.694,1273 5.394,1276 2.072,1280 30.571,1281 91.078,1282 167.86,1283 198.769,1284 220.379,1285 220.379,1286 220.379,1287 70.814,1288 7.087,1289 70.67,1290 79.05,1291 18,1292 12.564,1293 3.907,1294 3.17,1295 46.767,1296 96,1297 88,1298 0.24,1299 202.624,1300 350.45,1301 486.163,1302 10298,1303 6.7,1304 19.604,1305 0.726,1306 0.682,1307 20.984,1308 18.418,1309 12.814,1310 0.442,1311 0.386,1312 8.191,1313 10.369,1314 7.802,1315 6.406,1316 14.379,1317 11.196,1318 12.106,1319 0.288,1320 0.222,1321 14.447,1322 9.316,1323 9.842,1324 0.182,1325 0.126,1326 11.708,1327 6.783,1328 7.878,1329 0.116,1330 0.071,1331 9.379,1332 4.795,1333 6.272,1334 0.073,1335 0.047,1336 9.24,1337 4.062,1338 0.369,1339 106.274,1340 0.233,1341 25.526,1342 0.682,1343 142,1344 527.798,1345 327.161,1346 569.476,1347 732.69,1348 522,1349 167,1350 441.392,1351 301.216,1352 501.39,1353 733.38,1354 467,1355 5.4} {0 CHEMBL330803,1 1.395,2 9.364,3 2.582,4 6.666,5 90.428,6 6.87,7 0.6,8 3.869,9 4.012,10 3.395,11 3.384,12 4.844,13 3.354,14 4.439,15 4.645,16 3.717,17 3.817,18 5.304,19 3.751,20 4.684,21 4.939,22 3.629,23 3.938,24 5.421,25 3.805,26 4.717,27 4.991,28 3.527,29 3.898,30 5.44,31 3.736,32 4.654,33 4.958,34 3.441,35 3.751,36 5.345,37 3.593,38 4.423,39 4.687,40 3.443,41 3.644,42 5.197,43 3.535,44 4.411,45 4.66,46 3.384,47 3.618,48 5.243,49 3.494,50 4.406,51 4.703,52 3.062,53 3.473,54 5.114,55 3.3,56 0.065,57 0.697,58 9.927,59 3.677,60 8.817,61 5.449,62 0.198,63 1.125,64 18.61,65 6.277,66 13.998,67 9.522,68 0.181,69 1.272,70 24.379,71 8.779,72 16.954,73 13.261,74 0.169,75 1.252,76 25.477,77 9.248,78 20.454,79 14.025,80 0.239,81 1.128,82 24.557,83 8.319,84 20.972,85 12.84,86 0.149,87 0.981,88 18.947,89 6.255,90 14.514,91 9.747,92 0.22,93 0.985,94 18.65,95 6.165,96 18.119,97 9.458,98 0.186,99 0.878,100 19.146,101 5.894,102 17.963,103 9.4,105 34,106 0.243,107 0.592,108 0.752,109 0.815,110 0.815,111 0.815,112 3.147,113 0.969,114 -4.37,115 -4.31,116 -4.06,119 39.5,121 4,125 3,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 6,171 2,172 5,176 3,178 5,182 4,186 3,189 4,193 6,199 4,203 6,206 2,211 4,215 3,222 3,225 1,226 3,229 2,231 2,233 3,242 1,244 3,248 2,249 2,256 3,259 652,260 15.499,261 15.499,262 15.499,263 15.499,264 15.499,265 13.811,266 16.229,267 9.369,268 15.84,269 12.386,270 12.386,271 12.386,272 12.386,273 12.386,274 9.847,275 14.832,276 4.487,277 12.94,278 4.031,279 2.025,280 1.111,281 0.744,282 0.744,283 0.744,284 3.851,287 1,288 1,289 1,290 461,291 2.236,294 100.587,295 122.043,298 82.896,302 1.545,303 7.712,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46.5,315 206,316 4.569,317 3.201,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.905,327 6.096,328 3.692,329 2.755,330 3.732,332 8.885,333 2.579,334 3.547,335 2.799,336 5.357,337 3.443,338 2.514,339 2.819,341 6.996,342 2.336,343 3.387,344 2.158,345 5.104,346 2.99,347 2.009,348 2.604,350 5.945,351 1.966,352 3.243,353 1.794,354 4.514,355 2.729,356 1.774,357 2.482,359 4.654,360 1.69,361 2.739,362 1.55,363 4.127,364 2.484,365 1.5,366 1.842,368 3.468,369 1.473,370 2.515,371 1.303,372 3.634,373 2.236,374 1.261,375 1.516,377 3.101,378 1.227,379 2.39,380 1.077,381 3.35,382 1.984,383 1,384 1.346,386 2.19,387 0.983,388 2.128,389 1.012,390 3.247,391 1.917,392 0.957,393 1,395 2.136,396 0.916,397 2.118,398 0.79,399 3.23,400 1.703,401 0.743,402 0.991,404 1.771,405 0.712,406 2,407 0.618,408 3.013,409 1.518,410 0.618,411 0.927,413 1.372,414 0.556,415 1.616,416 0.461,417 3,418 1.37,419 0.4,420 0.484,422 0.975,423 0.387,424 0.874,425 -0.228,426 2.436,427 0.539,428 -0.427,429 -0.49,431 -1.051,432 -0.41,433 0.646,434 -0.635,435 2.277,436 0.28,437 -0.7,438 -0.856,440 -1.69,441 -0.683,442 0.41,443 -0.784,444 2.034,445 0.108,446 -0.884,447 -1,449 -2.347,450 -0.878,451 10.5,452 0.477,453 0.359,454 0.016,455 27,456 1.227,457 12,458 0.545,459 15,460 0.682,461 17.504,462 0.796,463 23.7,464 0.551,465 15.989,466 0.727,467 5.041,468 0.229,469 5.858,470 0.266,473 0.267,479 0.869,480 1.444,481 0.842,482 1.156,483 0.576,484 1.022,485 1.148,486 1.054,487 1.003,488 0.978,489 0.742,490 0.974,491 0.894,492 1.009,493 1.016,494 1.056,495 0.664,496 1.051,497 0.72,498 1.071,499 0.978,500 1.121,501 0.693,502 1.087,503 0.665,504 0.848,505 0.793,506 0.869,507 0.746,508 0.85,509 0.98,510 1.051,511 0.882,512 0.938,513 0.823,514 0.905,515 0.972,516 1.104,517 1.126,518 1.17,519 1.084,520 1.167,521 1.181,522 0.982,523 1.104,524 1.011,525 1.386,526 1.042,527 3,528 0.011,529 2.222,530 0.694,531 0.694,532 0.559,533 0.293,534 0.11,535 0.117,536 0.057,537 5591,538 11516,539 2.234,540 48.8,541 2,542 9,543 1,544 2,545 1,547 6,550 1.643,551 2.2,552 3.23,553 -0.31,554 1,555 1,557 1,559 59.994,560 1.395,561 3.401,562 4.315,563 4.682,564 4.682,565 4.682,566 2.72,567 3.823,568 4.43,569 3.371,570 778.671,571 7.602,572 8582.74,574 1,576 1,577 233.329,578 0.845,579 4.433,580 0.12,581 0.001,582 0.065,583 0.023,584 0.027,585 0.023,586 0.012,587 0.005,588 0.008,589 0.005,590 0.289,591 0.5,592 1,594 101.443,595 0.14,596 -0.198,597 0.094,598 -0.079,599 0.317,600 -0.011,601 -0.033,602 0.093,603 -0.038,604 0.031,605 0.099,606 0.002,607 -0.089,608 -0.019,609 -0.065,610 -0.031,611 0.058,612 -0.043,613 0.007,614 -0.142,615 -0.027,616 -0.101,617 0.088,618 -0.073,619 0.18,620 0.035,621 0.186,622 0.107,623 0.152,624 0.141,625 -0.029,626 -0.065,627 0.092,628 0.051,629 0.07,630 0.08,631 0.094,632 -0.07,633 -0.152,634 -0.196,635 -0.053,636 -0.202,637 -0.156,638 -0.06,639 -0.114,640 -0.07,641 -0.278,642 -0.084,643 0.559,644 0.889,645 0.909,646 18.207,647 0.99,648 1.135,649 3.143,650 9.879,651 0.654,652 3.258,653 3.555,654 3.85,655 4.111,656 4.263,657 4.357,658 4.511,659 4.654,660 4.682,661 4.691,662 5.649,663 0.612,664 295.43,665 3.258,666 4.779,667 5.631,668 6.497,669 7.365,670 8.238,671 9.113,672 9.992,673 10.873,674 11.755,675 11.6,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 43,716 15,717 1,718 25,720 46,721 17,722 10,723 3,724 3,730 4,731 5,740 3,743 4,745 10,746 7,760 1,761 1,764 21,765 3,766 1,767 5,773 5,777 0.75,788 1,792 2,793 2,796 1,815 1,819 3,827 22,833 7,838 1,844 1,854 10,855 7.55,856 4.833,857 2.83,858 2.802,859 1.39,860 1.031,861 3.854,862 9.982,863 3.512,864 4.103,865 4.736,866 5.355,867 5.787,868 6.23,869 6.711,870 7.157,871 7.353,872 7.579,873 1,874 30,875 8.126,877 3.427,878 7.394,879 16.258,881 13.771,883 1.894,884 41.667,885 0.001,887 1,888 235.422,889 81.828,890 55.135,895 81.828,896 235.422,897 55.135,899 16.455,900 37.476,901 74.105,902 30.324,903 13.915,904 200.109,906 235.422,907 136.963,911 164.795,912 70.627,915 55.501,916 48.136,917 33.326,919 235.422,920 55.135,921 81.828,924 235.422,925 27.115,926 59.737,927 16.786,928 33.326,929 235.422,930 55.135,931 81.828,933 0.572,934 0.336,935 0.185,936 0.091,937 18,938 6,939 0.087,940 4,941 1,942 1.1,943 3.633,944 174.681,945 0.1,946 20,947 90.107,951 13.83,952 6.131,953 2.914,954 2.508,955 36.45,956 12.083,957 7.769,958 3.389,961 2.506,962 1.945,963 16.786,964 372.385,965 32.5,975 42.578,976 48.813,977 0.257,978 0.627,979 0.795,980 0.863,981 0.863,982 0.863,983 4.725,984 1,985 5.58,986 3.101,987 4.234,988 4.787,989 0.673,990 6.358,991 4.152,992 5.899,993 0.957,994 7.107,995 2.19,996 3.611,997 4.477,998 0.325,999 7.182,1000 3.483,1001 7.188,1002 0.743,1003 8.739,1004 2.136,1005 5.784,1006 7.006,1007 0.379,1008 10.294,1009 5.624,1010 8.521,1011 0.618,1012 10.436,1013 1.771,1014 6.089,1015 7.693,1016 0.268,1017 12.018,1018 5.889,1019 9.896,1020 0.4,1021 12.176,1022 1.372,1023 7.631,1024 9.586,1025 0.239,1026 14.602,1027 7.408,1028 11.299,1029 -0.427,1030 13.947,1031 0.975,1032 8.363,1033 10.721,1034 0.188,1035 16.678,1036 8.112,1037 12.725,1038 -0.7,1039 15.739,1040 -1.051,1041 9.649,1042 12.371,1043 0.156,1044 19.092,1045 9.379,1046 3.119,1047 -0.884,1048 17.546,1049 -1.69,1050 10.583,1051 13.708,1052 0.125,1053 21.313,1054 10.296,1055 2.755,1056 10.433,1057 19.365,1058 -2.347,1059 11.764,1060 15.263,1061 0.102,1062 23.669,1063 11.46,1064 2.514,1065 8.885,1066 21.193,1067 4.518,1068 12.795,1069 16.691,1070 0.082,1071 25.953,1072 12.478,1073 2.009,1074 6.996,1075 23.029,1076 3.732,1077 13.934,1078 18.211,1079 0.066,1080 28.291,1081 13.604,1082 1.774,1083 5.945,1084 24.87,1085 2.819,1086 15.012,1087 19.679,1088 0.054,1089 30.602,1090 14.67,1091 1.5,1092 4.654,1093 26.716,1094 2.604,1095 16.137,1096 21.187,1097 0.043,1098 32.936,1099 15.784,1100 1.261,1101 3.468,1102 28.567,1103 2.482,1104 17.238,1105 22.674,1106 0.035,1107 35.261,1108 16.874,1109 5168,1110 7591,1111 17.682,1112 28.12,1113 37.563,1114 37.147,1115 37.194,1116 37.29,1117 37.304,1118 48.521,1119 1.6,1120 103.85,1121 35.775,1122 5.569,1123 5.201,1124 6.368,1125 5.159,1126 5.119,1127 7.518,1128 1.2,1129 17.104,1130 5.062,1132 1.503,1133 1.486,1134 1.488,1135 1.492,1136 1.492,1137 1.941,1138 0.064,1139 4.154,1140 1.431,1141 4.152,1142 4.19,1143 4.112,1144 4.06,1145 5.135,1146 4.068,1147 3.855,1148 3.927,1149 3.791,1150 3.692,1151 4.927,1152 3.688,1153 3.815,1154 3.889,1155 3.704,1156 3.576,1157 4.336,1158 3.615,1159 3.439,1160 3.506,1161 3.307,1162 3.3,1163 4.245,1164 3.297,1165 3.234,1166 3.313,1167 3.103,1168 3.037,1169 3.875,1170 3.044,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.665,1176 2.91,1177 2.954,1178 3.04,1179 2.816,1180 2.784,1181 3.474,1182 2.783,1183 2.792,1184 2.882,1185 2.566,1186 2.598,1187 3.413,1188 2.577,1189 0.183,1190 0.128,1191 0.263,1192 0.164,1193 0.125,1194 4.569,1195 0.181,1196 3.201,1197 0.032,1198 6.566,1199 0.417,1200 4.1,1201 0.122,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.96,1208 1.936,1209 2.071,1210 2.058,1211 1.418,1212 2.062,1213 1.832,1214 1.767,1215 2.024,1216 2.016,1217 1.235,1218 2.025,1219 1.611,1220 1.557,1221 1.812,1222 1.784,1223 1.05,1224 1.796,1225 1.395,1226 1.326,1227 1.541,1228 1.646,1229 0.825,1230 1.623,1231 1.209,1232 1.13,1233 1.513,1234 1.442,1235 0.648,1236 1.453,1237 1.153,1238 1.064,1239 1.438,1240 1.442,1241 0.578,1242 1.429,1243 1.078,1244 0.982,1245 1.248,1246 1.376,1247 0.44,1248 1.379,1249 0.909,1250 0.829,1251 1.219,1252 1.168,1253 0.182,1254 1.202,1255 3.932,1257 5.231,1258 3.045,1259 6.723,1260 5.283,1261 8.301,1262 7.286,1263 9.927,1271 8.876,1276 2.589,1280 26.321,1281 59.994,1282 146.252,1283 185.555,1284 201.329,1285 201.329,1286 201.329,1287 22.074,1288 7.18,1289 49.74,1290 49.74,1291 22,1292 12.29,1293 4,1294 3.087,1295 29.956,1296 73,1297 73,1298 0.198,1299 160.674,1300 259.68,1301 383.804,1302 12535,1304 14.778,1305 0.672,1306 0.577,1307 14.778,1308 12.703,1309 10.899,1310 0.436,1311 0.323,1312 7.969,1313 10.486,1314 7.835,1315 6.479,1316 10.899,1317 8.074,1318 9.46,1319 0.278,1320 0.178,1321 9.46,1322 6.065,1323 8.339,1324 0.181,1325 0.1,1326 8.339,1327 4.614,1328 7.021,1329 0.117,1330 0.055,1331 7.021,1332 3.329,1333 5.241,1334 0.075,1335 0.033,1336 5.241,1337 2.292,1338 0.309,1339 68.035,1340 0.238,1341 21.819,1342 0.546,1343 118,1344 278.913,1345 127.103,1346 276.394,1347 392.94,1348 262,1349 139,1350 305.363,1351 149.463,1352 309.928,1353 449.88,1354 292,1355 6.699} {0 CHEMBL331037,1 1.605,2 18.703,3 3.295,4 10.854,5 148.576,6 7.132,7 0.4,8 4.385,9 4.51,10 4.021,11 3.898,12 5.371,13 3.85,14 4.966,15 5.151,16 4.264,17 4.285,18 6.087,19 4.216,20 5.248,21 5.481,22 4.263,23 4.427,24 6.2,25 4.324,26 5.253,27 5.482,28 4.221,29 4.448,30 6.195,31 4.314,32 5.298,33 5.553,34 4.114,35 4.392,36 6.247,37 4.238,38 5.221,39 5.5,40 3.94,41 4.254,42 6.049,43 4.096,44 5.053,45 5.323,46 3.938,47 4.148,48 5.947,49 3.994,50 5.008,51 5.262,52 3.931,53 4.152,54 5.873,55 3.998,56 0.101,57 1.118,58 20.119,59 7.053,60 19.296,61 9.501,62 0.477,63 1.759,64 35.523,65 11.833,66 69.23,67 16.355,68 0.608,69 2.081,70 45.663,71 14.795,72 75.612,73 20.971,74 0.4,75 2.087,76 46.721,77 16.519,78 67.291,79 22.775,80 0.62,81 2.043,82 49.662,83 16.932,84 91.56,85 23.679,86 0.544,87 1.849,88 45.618,89 14.29,90 69.885,91 21.236,92 0.667,93 1.634,94 38.648,95 12.394,96 64.02,97 18.191,98 0.366,99 1.592,100 39.695,101 13.057,102 48.33,103 17.771,104 34,105 55,106 0.248,107 0.559,108 0.746,109 0.83,110 0.855,111 0.855,112 3.641,113 1.106,114 -2.54,115 -2.57,116 -2.51,119 36.5,121 5,124 1,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 1,162 1,163 1,169 9,171 2,172 7,174 2,176 6,178 8,180 1,181 1,182 7,186 6,189 7,191 1,193 8,197 1,199 4,201 1,202 1,203 11,206 2,207 1,208 1,210 1,211 5,213 1,215 3,220 1,222 5,224 1,225 4,226 3,228 1,229 1,231 2,233 8,235 1,237 3,240 1,242 1,244 8,249 4,254 2,256 6,258 1,259 3005,260 24.817,261 24.817,262 24.817,263 24.817,264 24.817,265 22.482,266 27.921,267 14.863,268 25.335,269 19.75,270 19.75,271 19.75,272 19.75,273 19.75,274 16.046,275 30.022,276 7.026,277 20.595,278 4.605,279 2.596,280 1.394,281 0.848,282 0.686,283 0.686,284 4.335,289 1,290 1483,291 4.69,294 114.188,295 421.182,298 199.488,302 3.04,303 39.271,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 80.5,315 692,316 4.644,317 4.311,318 6.546,319 4.077,320 3.14,321 4.504,322 1.94,323 10.36,324 3.042,325 4.55,326 3.718,327 6.455,328 4.076,329 3.092,330 4.442,331 0.86,332 10.196,333 2.922,334 4.134,335 3.186,336 6.168,337 3.857,338 2.912,339 3.669,340 0.8,341 9.123,342 2.749,343 3.933,344 3.105,345 5.986,346 3.665,347 2.699,348 3.129,349 0.555,350 8.45,351 2.601,352 3.715,353 2.774,354 5.317,355 3.327,356 2.387,357 3.11,359 6.863,360 2.242,361 3.599,362 2.534,363 5.216,364 3.241,365 2.278,366 2.871,368 6.604,369 2.184,370 3.346,371 2.266,372 5.096,373 2.95,374 1.979,375 2.675,377 5.914,378 1.911,379 2.958,380 2.171,381 4.472,382 2.803,383 1.819,384 1.994,386 4.539,387 1.784,388 2.775,389 1.824,390 4.16,391 2.591,392 1.608,393 1.861,395 3.753,396 1.575,397 2.711,398 1.595,399 4.128,400 2.307,401 1.334,402 1.734,404 3.528,405 1.297,406 2.5,407 1.451,408 3.723,409 2.237,410 1.28,411 1.5,413 3.175,414 1.218,415 2.43,416 1.381,417 3.414,418 2.028,419 1.077,420 1.407,422 2.275,423 1.02,424 2.329,425 1.147,426 3.414,427 2,428 1,429 1.285,431 2.275,432 1,433 2.109,434 1.146,435 3.344,436 1.967,437 1,438 1.037,440 2.197,441 0.965,442 2,443 1,444 3.209,445 1.895,446 0.924,447 1,449 1.94,450 0.887,451 17.667,452 0.477,453 0.938,454 0.025,455 43.75,456 1.182,457 20,458 0.541,459 23.75,460 0.642,461 36.057,462 0.975,463 42.333,464 0.572,465 34.105,466 0.922,467 8.194,468 0.221,469 9.626,470 0.26,471 0.108,472 0.047,473 0.243,479 0.702,480 1.481,481 0.888,482 1.295,483 0.676,484 1.069,485 0.825,486 1.234,487 1.068,488 1.151,489 0.526,490 1.049,491 1.234,492 0.895,493 0.929,494 0.828,495 1.077,496 0.945,497 0.96,498 1.123,499 1.017,500 1.122,501 0.872,502 1.144,503 0.905,504 1.009,505 0.946,506 1.043,507 0.993,508 1.089,509 0.973,510 0.957,511 0.829,512 0.876,513 0.794,514 0.969,515 0.655,516 0.912,517 0.825,518 0.87,519 0.542,520 0.971,521 0.888,522 1.004,523 1.113,524 1.128,525 0.762,526 1.054,527 8,528 0.177,529 4,530 2.104,531 1.538,532 1.056,533 0.762,534 0.405,535 0.323,536 0.252,537 27379,538 72411,539 2.048,540 50,541 4,542 22,543 1,545 4,546 2,547 4,550 1.77,551 1.922,552 4.12,553 1.498,559 118.758,560 1.605,561 3.613,562 4.816,563 5.361,564 5.524,565 5.524,566 3.614,567 4.736,568 5.182,569 4.381,570 2917.72,571 9.054,572 54977.3,577 459.5,578 1.473,579 5.137,580 0.2,581 0.006,582 0.073,583 0.04,584 0.031,585 0.025,586 0.021,587 0.012,588 0.009,589 0.008,590 0.424,591 0.17,592 0.75,593 0.986,594 213.661,595 0.034,596 -0.16,597 0.178,598 -0.064,599 -0.109,600 0.019,601 0.12,602 -0.064,603 -0.058,604 -0.077,605 0.217,606 -0.033,607 -0.176,608 0.125,609 -0.054,610 0.088,611 -0.121,612 0.024,613 -0.087,614 -0.113,615 -0.1,616 -0.116,617 -0.041,618 -0.126,619 0.024,620 -0.073,621 -0.049,622 -0.092,623 -0.032,624 -0.093,625 -0.072,626 -0.055,627 0.014,629 -0.051,630 0.001,631 0.184,632 0.05,633 0.059,634 0.039,635 0.105,636 0.004,637 -0.036,638 -0.006,639 -0.053,640 -0.07,641 0.009,642 -0.041,643 4.202,644 5.656,645 0.568,646 55.585,647 1,648 1.134,649 1.314,650 1.727,651 0.644,652 3.714,653 4.025,654 4.22,655 4.454,656 4.635,657 4.691,658 4.82,659 4.844,660 4.771,661 4.82,662 10.914,663 0.602,664 527.76,665 3.714,666 5.252,667 6.075,668 6.944,669 7.784,670 8.657,671 9.506,672 10.38,673 11.234,674 12.108,675 6.8,676 1,680 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 74,716 19,717 2,718 40,720 77,721 27,722 14,723 5,724 7,730 4,731 5,736 1,743 5,745 15,746 12,750 3,753 1,755 3,759 1,764 37,765 8,766 4,767 10,768 1,773 5,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,821 1,823 1,827 37,828 1,830 1,833 11,834 1,835 1,838 2,847 5.4,850 3,852 1,854 19.25,855 12.983,856 8.153,857 4.514,858 3.015,859 1.369,860 0.984,861 9.625,862 11.174,863 3.951,864 4.53,865 4.969,866 5.528,867 5.999,868 6.239,869 6.591,870 6.855,871 6.628,872 6.694,873 1,874 53,875 13.906,877 6.003,878 7.786,879 26.66,881 22.133,883 2.286,884 84.583,888 388.446,889 139.537,890 72.336,892 80.458,894 5.807,895 133.729,896 468.904,897 72.336,898 7.19,899 63.815,900 81.189,901 90.568,902 47.425,903 13.915,904 376.675,906 388.446,907 206.066,908 80.458,909 5.807,911 341.362,912 127.542,915 80.601,916 109.06,917 22.212,919 388.446,920 152.794,921 139.537,923 5.807,924 388.446,925 51.158,926 88.82,927 33.191,928 113.355,929 388.446,930 152.794,931 139.537,933 0.576,934 0.314,935 0.169,936 0.092,937 24,938 11,939 0.156,940 12,941 1,942 1.095,943 4.996,944 323.234,945 0.095,946 21,947 182.75,950 1,951 27.615,952 12.896,953 8.032,954 2.254,955 136.009,956 15.427,958 3.271,961 3.643,963 66.088,964 680.777,965 51,968 -3.286,970 35.382,974 0.207,975 74.032,976 83.892,977 0.258,978 0.582,979 0.776,980 0.863,981 0.89,982 0.89,983 5.193,984 1.819,985 6.071,986 5.914,987 4.71,988 5.218,989 2.315,990 6.862,991 4.629,992 6.399,993 1.608,994 7.619,995 4.539,996 4.369,997 5.255,998 1.738,999 7.881,1000 4.217,1001 7.726,1002 1.334,1003 9.272,1004 3.753,1005 6.326,1006 7.473,1007 3.044,1008 10.849,1009 6.157,1010 9.093,1011 1.28,1012 10.988,1013 3.528,1014 6.792,1015 8.341,1016 3.144,1017 12.655,1018 6.55,1019 10.496,1020 1.077,1021 12.742,1022 3.175,1023 8.237,1024 10.095,1025 4.149,1026 15.177,1027 7.974,1028 11.923,1029 1,1030 14.522,1031 2.275,1032 9.058,1033 11.309,1034 4.541,1035 17.283,1036 8.73,1037 13.368,1038 1,1039 16.32,1040 2.275,1041 10.302,1042 12.901,1043 5.385,1044 19.664,1045 9.947,1046 3.14,1047 0.924,1048 18.13,1049 2.197,1050 11.285,1051 14.268,1052 5.912,1053 21.891,1054 10.874,1055 3.092,1056 10.36,1057 19.95,1058 1.94,1059 12.451,1060 15.799,1061 6.67,1062 24.225,1063 12.007,1064 2.912,1065 10.196,1066 21.777,1067 4.504,1068 13.508,1069 17.235,1070 7.263,1071 26.503,1072 13.015,1073 2.699,1074 9.123,1075 23.61,1076 4.442,1077 14.644,1078 18.744,1079 7.976,1080 28.823,1081 14.114,1082 2.387,1083 8.45,1084 25.448,1085 3.669,1086 15.736,1087 20.212,1088 8.602,1089 31.124,1090 15.161,1091 2.278,1092 6.863,1093 27.29,1094 3.129,1095 16.861,1096 21.712,1097 9.292,1098 33.442,1099 16.249,1100 1.979,1101 6.604,1102 29.135,1103 3.11,1104 17.97,1105 23.195,1106 9.936,1107 35.754,1108 17.316,1109 26021,1110 42561,1111 26.523,1112 47.677,1113 58.944,1114 61.339,1115 60.088,1116 59.034,1117 58.947,1118 74.759,1119 8.312,1120 166.396,1121 56.597,1122 5.644,1123 6.311,1124 6.371,1125 5.144,1126 5.14,1127 7.504,1128 3.348,1129 17.015,1130 5.042,1131 19.884,1132 1.474,1133 1.533,1134 1.502,1135 1.476,1136 1.474,1137 1.869,1138 0.208,1139 4.16,1140 1.415,1141 4.135,1142 4.166,1143 4.716,1144 4.048,1145 7.718,1146 4.054,1147 4.03,1148 4.045,1149 4.089,1150 3.971,1151 7.427,1152 3.905,1153 3.885,1154 3.903,1155 3.879,1156 3.784,1157 6.999,1158 3.708,1159 3.77,1160 3.798,1161 3.696,1162 3.645,1163 5.038,1164 3.633,1165 3.666,1166 3.71,1167 3.54,1168 3.509,1169 4.958,1170 3.504,1171 3.557,1172 3.625,1173 3.428,1174 3.416,1175 4.755,1176 3.41,1177 3.429,1178 3.492,1179 3.286,1180 3.222,1181 4.583,1182 3.225,1183 3.298,1184 3.366,1185 3.17,1186 3.092,1187 4.279,1188 3.099,1189 0.116,1190 0.108,1191 0.164,1192 0.102,1193 0.079,1194 4.644,1195 0.113,1196 4.311,1197 0.049,1198 6.546,1199 0.259,1200 4.077,1201 0.076,1202 3.14,1203 4.504,1204 1.94,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.047,1210 2.074,1211 1.347,1212 2.079,1213 1.935,1214 1.911,1215 2.027,1216 2.029,1217 1.285,1218 2.028,1219 1.781,1220 1.743,1221 1.978,1222 1.957,1223 1.223,1224 1.98,1225 1.699,1226 1.685,1227 1.88,1228 1.871,1229 1.084,1230 1.908,1231 1.648,1232 1.594,1233 1.849,1234 1.845,1235 1.018,1236 1.853,1237 1.615,1238 1.576,1239 1.657,1240 1.759,1241 0.941,1242 1.807,1243 1.385,1244 1.328,1245 1.603,1246 1.623,1247 0.909,1248 1.63,1249 1.278,1250 1.191,1251 1.521,1252 1.551,1253 0.825,1254 1.554,1255 4.394,1257 5.707,1258 2.398,1259 7.197,1260 4.727,1261 8.767,1262 6.823,1263 10.383,1265 1.134,1269 5.703,1271 8.27,1272 2.473,1273 5.945,1276 4.159,1280 44.582,1281 118.758,1282 267.387,1283 356.364,1284 396.745,1285 408.745,1286 408.745,1287 86.167,1288 8.159,1289 120.76,1290 129.14,1291 23,1292 12.653,1293 4.322,1294 3.585,1295 65.719,1296 247,1297 212,1298 0.124,1299 277.858,1300 481.07,1301 669.734,1302 53820,1304 26.253,1305 0.71,1306 0.601,1307 26.503,1308 22.226,1309 17.82,1310 0.445,1311 0.369,1312 12.843,1313 16.383,1314 12.4,1315 10.247,1316 18.747,1317 14.748,1318 16.418,1319 0.299,1320 0.205,1321 17.801,1322 11.256,1323 12.432,1324 0.186,1325 0.108,1326 12.883,1327 7.231,1328 10.332,1329 0.122,1330 0.062,1331 10.867,1332 5.245,1333 8.077,1334 0.079,1335 0.034,1336 8.442,1337 3.453,1338 0.21,1339 121.011,1340 0.194,1341 35.34,1342 0.305,1343 190,1344 543.071,1345 239.228,1346 539.72,1347 725.34,1348 500,1349 217,1350 502.194,1351 273.084,1352 536.938,1353 771.73,1354 503,1355 8.87} {0 CHEMBL331143,1 1.445,2 14.1,3 1.833,4 3.359,5 121.168,6 6.59,7 0.441,8 4.224,9 4.369,10 3.7,11 3.714,12 5.167,13 3.679,14 4.803,15 5.011,16 4.014,17 4.135,18 5.655,19 4.061,20 5.094,21 5.342,22 3.998,23 4.28,24 5.91,25 4.152,26 5.195,27 5.479,28 3.904,29 4.285,30 5.94,31 4.12,32 5.14,33 5.444,34 3.813,35 4.197,36 5.808,37 4.022,38 5.017,39 5.301,40 3.841,41 4.126,42 5.744,43 3.985,44 4.993,45 5.262,46 3.769,47 4.106,48 5.763,49 3.954,50 4.986,51 5.293,52 3.56,53 4.01,54 5.654,55 3.821,56 0.099,57 0.973,58 15.171,59 5.515,60 12.514,61 8.262,62 0.261,63 1.545,64 27.825,65 9.269,66 18.615,67 14.259,68 0.393,69 1.8,70 37.743,71 12.708,72 38.208,73 19.335,74 0.454,75 1.862,76 42.021,77 13.685,78 43.432,79 21.32,80 0.398,81 1.721,82 39.729,83 13.139,84 34.434,85 20.456,86 0.332,87 1.576,88 35.068,89 11.572,90 29.332,91 17.882,92 0.375,93 1.565,94 34.298,95 11.2,96 35.881,97 17.261,98 0.368,99 1.461,100 34.229,101 10.634,102 31.006,103 17.001,104 2,105 48,106 0.233,107 0.561,108 0.732,109 0.826,110 0.841,111 0.841,112 3.44,113 0.996,114 -4.2,115 -4.14,116 -3.91,119 37.1,121 6,122 1,125 5,129 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 8,171 2,172 5,176 6,178 6,182 3,185 1,186 7,189 5,193 6,195 1,197 1,199 5,203 6,206 2,208 1,211 6,215 4,218 1,220 3,222 7,226 4,229 2,231 2,233 2,236 1,237 5,242 4,244 2,254 2,256 3,259 1532,260 20.723,261 20.723,262 20.723,263 20.723,264 20.723,265 19.035,266 25.851,267 12.161,268 21.156,269 16.787,270 16.787,271 16.787,272 16.787,273 16.787,274 14.249,275 30.344,276 5.765,277 17.507,278 4.509,279 2.476,280 1.419,281 0.831,282 0.742,283 0.742,284 4.143,288 1,289 1,290 955,291 3.536,292 66.177,294 160.177,295 193.298,298 136.216,302 2.18,303 19.138,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 64,315 423,316 4.568,317 3.499,318 6.972,319 4.237,320 3.28,321 4.518,322 0.8,323 11.778,324 3.131,325 4.28,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,331 0.4,332 10.431,333 3.062,334 4.129,335 2.885,336 6.095,337 3.689,338 2.753,339 3.28,341 8.884,342 2.642,343 3.655,344 2.75,345 5.491,346 3.65,347 2.655,348 2.812,350 7.389,351 2.577,352 3.458,353 2.677,354 5.309,355 3.329,356 2.409,357 2.655,359 6.872,360 2.217,361 3.377,362 2.183,363 5.126,364 3.009,365 2.03,366 2.593,368 6,369 1.981,370 3.246,371 1.795,372 4.514,373 2.73,374 1.776,375 2.399,377 4.655,378 1.691,379 2.743,380 1.616,381 4.134,382 2.33,383 1.351,384 1.849,386 3.485,387 1.323,388 2.433,389 1.373,390 3.802,391 2.224,392 1.289,393 1.411,395 2.863,396 1.201,397 2.318,398 1.171,399 3.802,400 2.09,401 1.129,402 1.306,404 2.533,405 1.082,406 2.246,407 1.077,408 3.466,409 1.984,410 1,411 1.197,413 2.372,414 0.983,415 2.118,416 0.94,417 3.318,418 1.863,419 0.899,420 1,422 2.102,423 0.865,424 2,425 0.686,426 3.195,427 1.571,428 0.618,429 0.927,431 1.488,432 0.586,433 1.992,434 0.618,435 3.127,436 1.518,437 0.613,438 0.831,440 1.372,441 0.556,442 1.348,443 0.404,444 3,445 1.278,446 0.304,447 0.314,449 0.744,450 0.295,451 14.233,452 0.474,453 0.66,454 0.022,455 32.25,456 1.075,457 12,458 0.4,459 20.25,460 0.675,461 30.422,462 1.014,463 33.767,464 0.545,465 20.792,466 0.693,467 5.712,468 0.19,469 8.972,470 0.299,471 0.023,472 0.035,473 0.232,479 0.961,480 1.454,481 0.914,482 1.184,483 0.882,484 1.066,485 1.054,486 1.158,487 1.041,488 1.095,489 0.777,490 1.062,491 1.167,492 1.103,493 1.083,494 1.109,495 1.308,496 1.1,497 1.001,498 0.98,499 1.019,500 1.007,501 1.068,502 1.019,503 0.753,504 0.878,505 0.877,506 0.925,507 0.754,508 0.918,509 0.933,510 0.951,511 0.874,512 0.94,513 0.991,514 0.911,515 1.114,516 1.078,517 1.085,518 1.101,519 1.272,520 1.103,521 0.927,522 0.909,523 1.015,524 0.959,525 0.855,526 0.988,527 6,528 0.147,529 3.611,530 1.292,531 1.082,532 0.871,533 0.55,534 0.209,535 0.21,536 0.203,537 15247,538 30838,539 2.198,540 51.6,541 6,542 13,543 1,544 2,545 3,547 3,548 4,550 1.721,551 2.13,552 3.754,553 0.867,555 1,559 89.608,560 1.445,561 3.478,562 4.536,563 5.123,564 5.212,565 5.212,566 3.236,567 4.44,568 4.876,569 3.966,570 1725.08,571 8.468,572 25665.3,574 1,577 369.16,578 1.177,579 4.863,580 0.176,581 0.006,582 0.08,583 0.031,584 0.029,585 0.026,586 0.015,587 0.007,588 0.008,589 0.008,590 0.387,591 0.33,592 0.88,593 0.327,594 158.634,595 0.016,596 -0.136,597 0.074,598 -0.017,599 0.016,600 0.024,601 -0.046,602 0.03,603 -0.048,604 -0.032,605 0.034,606 -0.036,607 -0.071,608 -0.084,609 -0.097,610 -0.075,611 -0.039,612 -0.089,613 -0.04,614 -0.036,615 -0.043,616 -0.018,617 -0.041,618 -0.03,619 0.056,620 0.029,621 0.086,622 0.05,623 0.024,624 0.068,625 0.019,626 -0.01,627 0.102,628 0.054,629 0.03,630 0.083,631 -0.056,632 -0.101,633 -0.1,634 -0.102,635 -0.094,636 -0.112,637 -0.054,638 0.008,639 -0.042,640 -0.011,641 -0.073,642 -0.023,643 1.763,644 4.817,645 0.767,646 35.409,647 0.991,648 1.139,649 2.966,650 8.797,651 0.635,652 3.555,653 3.892,654 4.111,655 4.331,656 4.5,657 4.615,658 4.727,659 4.812,660 4.883,661 4.956,662 8.246,663 0.592,664 408.61,665 3.555,666 5.106,667 5.958,668 6.836,669 7.701,670 8.581,671 9.451,672 10.333,673 11.206,674 12.089,675 9.7,677 1,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 62,716 15,717 1,718 34,720 66,721 23,722 10,723 3,724 3,730 5,731 6,740 4,741 2,743 6,745 10,746 13,747 2,761 1,764 32,765 5,766 3,767 7,773 6,777 0.8,778 1,781 1,788 1,790 1,792 2,793 2,796 1,814 1,815 1,817 1,819 4,827 30,832 1,833 11,834 1,837 1,838 1,839 1,844 1,847 1.6,848 1,854 14.083,855 10.583,856 6.458,857 4.005,858 2.746,859 1.347,860 0.971,861 5.811,862 10.667,863 3.75,864 4.311,865 4.852,866 5.424,867 5.841,868 6.267,869 6.726,870 7.154,871 7.349,872 7.574,873 1,874 42,875 11.166,877 4.831,878 7.458,879 22.325,881 19.481,883 1.958,884 58.75,888 341.362,889 91.108,890 73.146,892 42.683,895 91.108,896 384.045,897 73.146,899 25.736,900 98.17,901 74.105,902 30.324,903 13.915,904 306.049,906 341.362,907 164.254,908 42.683,911 258.964,912 82.398,913 42.683,915 82.793,916 48.136,917 33.326,919 341.362,920 115.829,921 91.108,924 341.362,925 36.395,926 59.737,927 34.796,928 76.009,929 341.362,930 115.829,931 91.108,933 0.585,934 0.323,935 0.164,936 0.082,937 25,938 9,939 0.136,940 9,941 1,942 1.087,943 4.503,944 260.832,945 0.087,946 23,947 134.452,951 20.044,952 8.697,953 5.072,954 2.444,955 97.144,956 12.011,957 7.81,958 3.398,961 2.441,962 1.935,963 77.48,964 548.299,965 41.5,975 61.425,976 70.597,977 0.243,978 0.584,979 0.762,980 0.86,981 0.875,982 0.875,983 5.009,984 1.351,985 5.953,986 4.655,987 4.575,988 4.997,989 0.824,990 6.774,991 4.495,992 6.202,993 1.289,994 7.522,995 3.485,996 4.29,997 4.82,998 0.325,999 7.949,1000 4.174,1001 7.513,1002 1.129,1003 9.201,1004 2.863,1005 6.24,1006 7.164,1007 0.413,1008 10.904,1009 6.089,1010 8.86,1011 1,1012 10.948,1013 2.533,1014 6.781,1015 7.876,1016 0.268,1017 12.894,1018 6.592,1019 10.243,1020 0.899,1021 12.739,1022 2.372,1023 8.214,1024 9.692,1025 0.246,1026 15.445,1027 7.994,1028 11.648,1029 0.618,1030 14.56,1031 2.102,1032 9.099,1033 10.819,1034 0.188,1035 17.719,1036 8.842,1037 13.071,1038 0.613,1039 16.402,1040 1.488,1041 10.348,1042 12.435,1043 0.157,1044 20.173,1045 10.06,1046 3.28,1047 0.304,1048 18.261,1049 1.372,1050 11.384,1051 13.761,1052 0.125,1053 22.549,1054 11.058,1055 3.118,1056 11.778,1057 20.131,1058 0.744,1059 12.568,1060 15.3,1061 0.102,1062 24.985,1063 12.21,1064 2.753,1065 10.431,1066 22.011,1067 4.518,1068 13.671,1069 16.719,1070 0.082,1071 27.4,1072 13.275,1073 2.655,1074 8.884,1075 23.899,1076 3.731,1077 14.835,1078 18.231,1079 0.067,1080 29.837,1081 14.404,1082 2.409,1083 7.389,1084 25.793,1085 3.28,1086 15.97,1087 19.694,1088 0.054,1089 32.271,1090 15.501,1091 2.03,1092 6.872,1093 27.692,1094 2.812,1095 17.13,1096 21.197,1097 0.043,1098 34.713,1099 16.624,1100 1.776,1101 6,1102 29.596,1103 2.655,1104 18.281,1105 22.682,1106 0.035,1107 37.156,1108 17.735,1109 13794,1110 19841,1111 23.633,1112 39.387,1113 51.205,1114 50.587,1115 51.13,1116 50.556,1117 50.563,1118 61.771,1119 2.4,1120 146.214,1121 48.495,1122 5.568,1123 5.499,1124 6.568,1125 5.297,1126 5.28,1127 7.518,1128 1.2,1129 18.442,1130 5.131,1131 7.228,1132 1.506,1133 1.488,1134 1.504,1135 1.487,1136 1.487,1137 1.817,1138 0.071,1139 4.3,1140 1.426,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 6.446,1146 4.07,1147 3.945,1148 4.003,1149 3.826,1150 3.82,1151 5.135,1152 3.811,1153 3.861,1154 3.922,1155 3.789,1156 3.722,1157 4.927,1158 3.72,1159 3.824,1160 3.897,1161 3.731,1162 3.588,1163 4.391,1164 3.625,1165 3.563,1166 3.63,1167 3.423,1168 3.402,1169 4.286,1170 3.402,1171 3.353,1172 3.433,1173 3.234,1174 3.163,1175 4.24,1176 3.172,1177 3.239,1178 3.321,1179 3.082,1180 3.027,1181 4.002,1182 3.028,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.878,1188 2.91,1189 0.134,1190 0.103,1191 0.205,1192 0.125,1193 0.096,1194 4.568,1195 0.133,1196 3.499,1197 0.024,1198 6.972,1199 0.346,1200 4.237,1201 0.092,1202 3.28,1203 4.518,1204 0.8,1205 11.778,1206 3.131,1207 1.961,1208 1.936,1209 2.068,1210 2.062,1211 1.428,1212 2.067,1213 1.861,1214 1.808,1215 2.028,1216 2.04,1217 1.278,1218 2.039,1219 1.674,1220 1.619,1221 1.882,1222 1.851,1223 1.126,1224 1.865,1225 1.505,1226 1.43,1227 1.75,1228 1.739,1229 1.075,1230 1.746,1231 1.405,1232 1.334,1233 1.589,1234 1.658,1235 0.825,1236 1.639,1237 1.326,1238 1.264,1239 1.513,1240 1.527,1241 0.825,1242 1.531,1243 1.153,1244 1.064,1245 1.513,1246 1.442,1247 0.802,1248 1.429,1249 1.153,1250 1.064,1251 1.495,1252 1.376,1253 0.656,1254 1.429,1255 4.234,1256 1.946,1257 5.565,1258 4.111,1259 7.077,1260 6.043,1261 8.672,1262 7.883,1263 10.31,1270 10.817,1271 11.55,1272 3.484,1275 0.867,1276 2.507,1277 -0.513,1280 36.692,1281 89.608,1282 215.634,1283 281.212,1284 317.65,1285 323.16,1286 323.16,1287 45.211,1288 7.921,1289 82,1290 82,1291 25,1292 12.625,1293 4,1294 3.087,1295 41.993,1296 151,1297 147,1298 0.133,1299 221.625,1300 370.91,1301 532.525,1302 35268,1304 20.391,1305 0.68,1306 0.585,1307 20.391,1308 17.556,1309 14.684,1310 0.432,1311 0.332,1312 11.146,1313 14.142,1314 10.948,1315 8.997,1316 14.684,1317 11.29,1318 13.4,1319 0.279,1320 0.191,1321 13.4,1322 9.157,1323 10.969,1324 0.183,1325 0.108,1326 10.969,1327 6.47,1328 8.784,1329 0.117,1330 0.059,1331 8.784,1332 4.444,1333 6.654,1334 0.075,1335 0.035,1336 6.654,1337 3.137,1338 0.218,1339 91.748,1340 0.206,1341 29.257,1342 0.34,1343 164,1344 371.396,1345 177.259,1346 364.933,1347 510.06,1348 344,1349 193,1350 387.52,1351 207.676,1352 393.164,1353 571.65,1354 370,1355 8.347} {0 CHEMBL331240,1 1.549,2 15.313,3 1.763,4 3.109,5 124.317,6 7.141,7 0.457,8 4.204,9 4.337,10 3.729,11 3.693,12 5.279,13 3.678,14 4.753,15 4.939,16 4.075,17 4.084,18 5.791,19 4.046,20 5.012,21 5.228,22 4.109,23 4.237,24 6.035,25 4.164,26 5.046,27 5.266,28 4.032,29 4.259,30 6.009,31 4.15,32 5.102,33 5.355,34 3.956,35 4.17,36 6.085,37 4.046,38 4.967,39 5.233,40 3.793,41 4,42 5.887,43 3.889,44 4.734,45 4.97,46 3.771,47 3.898,48 5.733,49 3.81,50 4.762,51 4.996,52 3.785,53 3.9,54 5.794,55 3.814,56 0.045,57 0.92,58 13.377,59 5.216,60 9.864,61 7.287,62 0.295,63 1.445,64 25.133,65 8.529,66 28.525,67 12.368,68 0.608,69 1.716,70 34.315,71 11.083,72 61.005,73 15.926,74 0.269,75 1.728,76 34.829,77 12.886,78 46.578,79 18.244,80 0.542,81 1.666,82 38.97,83 13.16,84 73.534,85 18.877,86 0.545,87 1.447,88 34.757,89 10.384,90 57.91,91 15.415,92 0.344,93 1.259,94 26.109,95 8.457,96 37.168,97 12.514,98 0.351,99 1.257,100 27.038,101 8.996,102 45.409,103 12.89,104 25,105 48,106 0.249,107 0.584,108 0.74,109 0.816,110 0.848,111 0.848,112 3.501,113 0.931,114 -2.34,115 -2.37,116 -2.33,119 39.3,120 1,121 1,125 6,140 7,141 2,142 3,149 1,150 1,156 2,161 1,162 1,163 1,169 6,171 1,172 5,174 1,176 7,178 6,180 1,181 3,182 4,186 6,189 6,191 1,193 3,197 1,199 4,201 1,202 1,203 9,206 2,207 1,208 1,210 1,211 3,213 1,214 1,215 6,220 1,224 1,225 1,226 5,228 1,229 1,231 1,235 1,237 8,240 3,249 4,259 1888,260 21.748,261 21.748,262 21.748,263 21.748,264 21.748,265 19.582,266 27.249,267 12.929,268 22.16,269 17.245,270 17.245,271 17.245,272 17.245,273 17.245,274 13.854,275 34.435,276 6.062,277 17.899,278 4.382,279 2.307,280 1.338,281 0.865,282 0.668,283 0.668,284 4.199,288 1,289 1,290 1056,291 3.873,294 90.278,295 334.173,298 157.052,302 2.5,303 30.107,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69.5,315 490,316 4.55,317 3.741,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.158,326 3.533,327 6.171,328 3.869,329 2.924,330 3.701,331 1.907,332 9.132,333 2.766,334 3.953,335 3.183,336 5.989,337 3.689,338 2.726,339 3.178,340 0.933,341 8.462,342 2.619,343 3.755,344 3.105,345 5.42,346 3.462,347 2.5,348 3.071,349 0.8,350 7.193,351 2.399,352 3.687,353 2.742,354 5.315,355 3.303,356 2.357,357 2.985,358 0.51,359 6.854,360 2.227,361 3.356,362 2.511,363 5.096,364 2.981,365 1.98,366 2.672,367 0.149,368 5.915,369 1.979,370 3.341,371 2.262,372 4.547,373 2.936,374 1.951,375 2.519,377 4.811,378 1.898,379 2.916,380 2.154,381 4.347,382 2.629,383 1.639,384 1.957,386 4.275,387 1.611,388 2.742,389 1.594,390 4.163,391 2.305,392 1.329,393 1.843,395 3.561,396 1.296,397 2.5,398 1.476,399 4.059,400 2.189,401 1.241,402 1.5,404 3.353,405 1.168,406 2.429,407 1.379,408 3.414,409 2.015,410 1.062,411 1.401,413 2.275,414 1.008,415 2.325,416 1.146,417 3.414,418 2,419 1,420 1.278,422 2.275,423 1,424 2.003,425 1.132,426 3.339,427 1.967,428 1,429 1,431 2.114,432 0.965,433 2,434 1,435 3.101,436 1.645,437 0.694,438 0.884,440 1.443,441 0.655,442 1.719,443 0.74,444 2.988,445 1.348,446 0.414,447 0.505,449 0.927,450 0.38,451 15,452 0.469,453 0.729,454 0.023,455 39.75,456 1.242,457 18.5,458 0.578,459 21.25,460 0.664,461 27.331,462 0.854,463 35.4,464 0.58,465 30.911,466 0.966,467 8.073,468 0.252,469 7.456,470 0.233,471 0.104,473 0.32,479 0.844,480 1.423,481 0.838,482 1.141,483 0.646,484 1,485 0.933,486 1.183,487 0.917,488 1.013,489 0.591,490 0.959,491 1.156,492 0.902,493 1.094,494 0.918,495 1.055,496 0.975,497 0.911,498 1.193,499 1.077,500 1.26,501 0.906,502 1.21,503 0.988,504 1.004,505 0.978,506 1.081,507 1.022,508 1.052,509 1.265,510 0.896,511 1.004,512 0.856,513 1.001,514 0.887,515 0.926,516 1.089,517 0.982,518 1.054,519 0.803,520 1.026,521 1.022,522 1.01,523 0.976,524 1.074,525 1.066,526 1.028,527 6.5,528 0.114,529 3.778,530 1.729,531 1.378,532 1.084,533 0.66,534 0.383,535 0.357,536 0.259,537 16640,538 42847,539 2.082,540 47.5,542 19,543 1,545 4,546 3,547 2,550 1.737,551 1.959,552 3.861,553 1.57,555 1,559 94.49,560 1.549,561 3.623,562 4.593,563 5.066,564 5.263,565 5.263,566 3.367,567 4.438,568 4.969,569 4.067,570 2017.11,571 8.651,572 31696.3,574 1,577 361.775,578 1.366,579 4.936,580 0.186,581 0.004,582 0.079,583 0.036,584 0.032,585 0.029,586 0.02,587 0.012,588 0.011,589 0.009,590 0.417,591 0.17,592 1,593 1.031,594 173.196,595 -0.07,596 -0.157,597 0.045,598 -0.039,599 -0.062,600 0.015,601 -0.003,602 -0.029,603 0.024,604 0.01,605 0.043,606 0.022,607 -0.069,608 0.164,609 -0.116,610 0.07,611 -0.075,612 -0.01,613 -0.065,614 -0.185,615 -0.135,616 -0.213,617 -0.055,618 -0.189,619 0.058,620 -0.093,621 0.018,622 -0.088,623 -0.008,624 -0.055,625 -0.11,626 0.019,627 0.02,628 0.089,629 -0.071,630 0.076,631 0.028,632 -0.071,633 -0.007,634 -0.069,635 0.042,636 -0.046,637 0.032,638 -0.022,639 0.011,640 -0.085,641 0.018,642 -0.047,643 1.754,644 5.664,645 0.656,646 40.375,647 1.002,648 1.133,649 1.108,650 1.227,651 0.648,652 3.584,653 3.892,654 4.143,655 4.382,656 4.585,657 4.654,658 4.787,659 4.836,660 4.836,661 4.942,662 8.774,663 0.616,664 435.58,665 3.584,666 5.118,667 5.958,668 6.825,669 7.683,670 8.554,671 9.418,672 10.291,673 11.159,674 12.033,675 8.2,676 1,681 1,682 2,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 61,716 18,717 2,718 35,720 64,721 24,722 14,723 5,724 7,730 4,731 5,736 2,743 1,745 16,746 8,750 2,755 2,759 2,761 1,764 29,765 7,766 4,767 8,773 5,777 0.75,778 3,788 1,792 1,793 3,796 1,805 1,806 1,812 1,819 3,823 1,827 32,828 1,833 7,834 1,835 1,838 2,847 4.9,850 2,852 1,854 16.333,855 10.9,856 7.111,857 3.604,858 3.028,859 1.38,860 0.993,861 7.223,862 10.995,863 3.829,864 4.391,865 4.926,866 5.487,867 5.977,868 6.223,869 6.572,870 6.864,871 6.76,872 6.896,873 1,874 48,875 11.854,877 4.992,878 7.76,879 22.746,881 18.608,883 2.26,884 72.333,888 294.278,889 129.931,890 73.942,892 61.29,895 129.931,896 355.567,897 73.942,898 8.825,899 71.688,900 75.381,901 59.699,902 47.425,903 13.915,904 282.506,906 294.278,907 203.873,908 61.29,911 270.735,912 84.832,915 97.298,916 106.574,919 294.278,920 135.232,921 129.931,924 294.278,925 45.724,926 90.455,927 34.796,928 94.187,929 294.278,930 135.232,931 129.931,933 0.575,934 0.328,935 0.177,936 0.097,937 22,938 10,939 0.109,940 7,941 1,942 1.095,943 4.477,944 277.336,945 0.095,946 21,947 152,951 22.491,952 10.277,953 5.573,954 2.117,955 118.446,956 15.534,958 3.236,961 3.692,963 67.693,964 559.44,965 45,970 23.82,974 -0.099,975 61.094,976 69.102,977 0.261,978 0.611,979 0.774,980 0.854,981 0.887,982 0.887,983 5.063,984 1.639,985 5.932,986 4.811,987 4.575,988 5.078,989 2.853,990 6.713,991 4.504,992 6.248,993 1.329,994 7.473,995 4.275,996 4.111,997 4.879,998 2.262,999 7.554,1000 4.02,1001 7.543,1002 1.241,1003 9.11,1004 3.561,1005 6.142,1006 7.239,1007 3.809,1008 10.615,1009 5.998,1010 8.872,1011 1.062,1012 10.804,1013 3.353,1014 6.494,1015 7.89,1016 3.845,1017 12.29,1018 6.327,1019 10.233,1020 1,1021 12.535,1022 2.275,1023 7.98,1024 9.739,1025 5.018,1026 14.85,1027 7.771,1028 11.617,1029 1,1030 14.292,1031 2.275,1032 8.712,1033 10.807,1034 5.344,1035 16.877,1036 8.48,1037 13.019,1038 0.694,1039 16.068,1040 2.114,1041 9.971,1042 12.448,1043 6.319,1044 19.266,1045 9.704,1046 3.092,1047 0.414,1048 17.859,1049 1.443,1050 10.89,1051 13.732,1052 6.799,1053 21.449,1054 10.601,1055 2.924,1056 10.36,1057 19.66,1058 0.927,1059 12.05,1060 15.287,1061 7.662,1062 23.779,1063 11.734,1064 2.726,1065 9.132,1066 21.471,1067 4.504,1068 13.061,1069 16.681,1070 8.231,1071 26.033,1072 12.725,1073 2.5,1074 8.462,1075 23.289,1076 3.701,1077 14.182,1078 18.199,1079 9.03,1080 28.348,1081 13.823,1082 2.357,1083 7.193,1084 25.113,1085 3.178,1086 15.238,1087 19.648,1088 9.651,1089 30.635,1090 14.861,1091 1.98,1092 6.854,1093 26.943,1094 3.071,1095 16.345,1096 21.154,1097 10.413,1098 32.949,1099 15.949,1100 1.951,1101 5.915,1102 28.777,1103 2.985,1104 17.425,1105 22.63,1106 11.067,1107 35.254,1108 17.012,1109 15826,1110 25508,1111 23.463,1112 39.529,1113 52.345,1114 53.591,1115 53.534,1116 51.814,1117 51.854,1118 66.038,1119 12.709,1120 145.985,1121 50.062,1122 5.55,1123 5.741,1124 6.313,1125 5.16,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 15.928,1132 1.496,1133 1.531,1134 1.53,1135 1.48,1136 1.482,1137 1.887,1138 0.363,1139 4.171,1140 1.43,1141 4.132,1142 4.165,1143 4.091,1144 4.045,1145 7.431,1146 4.052,1147 3.969,1148 4.016,1149 3.905,1150 3.863,1151 7.426,1152 3.867,1153 3.777,1154 3.829,1155 3.695,1156 3.583,1157 5.037,1158 3.601,1159 3.579,1160 3.635,1161 3.48,1162 3.424,1163 4.957,1164 3.424,1165 3.522,1166 3.573,1167 3.417,1168 3.295,1169 4.759,1170 3.319,1171 3.427,1172 3.485,1173 3.291,1174 3.194,1175 4.562,1176 3.212,1177 3.275,1178 3.335,1179 3.163,1180 3.065,1181 4.275,1182 3.078,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.996,1188 2.91,1189 0.13,1190 0.107,1191 0.187,1192 0.116,1193 0.088,1194 4.55,1195 0.129,1196 3.741,1197 0.059,1198 6.546,1199 0.296,1200 4.076,1201 0.087,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.937,1208 1.918,1209 2.044,1210 2.07,1211 1.299,1212 2.065,1213 1.921,1214 1.886,1215 2.019,1216 2.023,1217 1.224,1218 2.021,1219 1.716,1220 1.657,1221 1.899,1222 1.918,1223 1.051,1224 1.913,1225 1.648,1226 1.59,1227 1.851,1228 1.846,1229 1.016,1230 1.853,1231 1.445,1232 1.395,1233 1.7,1234 1.701,1235 0.825,1236 1.693,1237 1.346,1238 1.301,1239 1.563,1240 1.618,1241 0.733,1242 1.606,1243 1.265,1244 1.181,1245 1.513,1246 1.535,1247 0.71,1248 1.533,1249 1.153,1250 1.064,1251 1.508,1252 1.376,1253 0.555,1254 1.429,1255 4.263,1257 5.572,1258 2.398,1259 7.069,1260 4.727,1261 8.65,1262 6.823,1263 10.276,1265 1.492,1269 5.687,1271 4.199,1272 2.77,1273 5.804,1276 4.081,1280 37.573,1281 94.49,1282 221.027,1283 280.149,1284 309.02,1285 321.02,1286 321.02,1287 58.137,1288 7.967,1289 103.69,1290 103.69,1291 23,1292 12.575,1293 4.248,1294 3.459,1295 52.378,1296 170,1297 164,1298 0.148,1299 231.027,1300 399.23,1301 555.465,1302 37200,1304 22.501,1305 0.703,1306 0.571,1307 22.501,1308 18.265,1309 15.529,1310 0.444,1311 0.31,1312 10.698,1313 14.871,1314 10.461,1315 8.63,1316 15.529,1317 10.865,1318 13.869,1319 0.289,1320 0.166,1321 13.869,1322 7.945,1323 11.344,1324 0.183,1325 0.092,1326 11.344,1327 5.7,1328 9.41,1329 0.119,1330 0.051,1331 9.41,1332 4.019,1333 7.5,1334 0.077,1335 0.028,1336 7.5,1337 2.676,1338 0.243,1339 97.604,1340 0.206,1341 30.811,1342 0.376,1343 166,1344 476.475,1345 183.269,1346 456.02,1347 620.46,1348 428,1349 193,1350 452.009,1351 209.856,1352 454.716,1353 661.49,1354 429,1355 8.77} {0 CHEMBL331241,1 1.297,2 5.538,3 2.037,4 4.149,5 55.414,6 6.454,7 0.714,8 3.371,9 3.521,10 2.817,11 2.933,12 4.394,13 2.878,14 3.873,15 4.073,16 3.122,17 3.321,18 4.78,19 3.231,20 4.062,21 4.296,22 3.067,23 3.391,24 4.917,25 3.257,26 4.089,27 4.357,28 2.872,29 3.292,30 4.873,31 3.123,32 3.932,33 4.22,34 2.598,35 3.04,36 4.742,37 2.849,38 3.73,39 4.029,40 2.071,41 2.747,42 4.515,43 2.512,44 3.51,45 3.888,46 1.522,47 2.298,48 4.132,49 1.983,50 2.891,51 3.283,52 0.588,53 1.594,54 3.555,55 1.266,56 0.043,57 0.396,58 6.389,59 2.425,60 6.327,61 3.589,62 0.064,63 0.611,64 10.656,65 4.209,66 8.534,67 6.184,68 0.076,69 0.694,70 12.937,71 5.107,72 12.629,73 7.529,74 0.089,75 0.674,76 13.398,77 5.014,78 12.857,79 7.531,80 0.106,81 0.56,82 11.523,83 4.134,84 13.951,85 6.262,86 0.087,87 0.442,88 9.469,89 3.045,90 12.436,91 4.801,92 0.054,93 0.299,94 7.494,95 2.62,96 10.254,97 4.063,98 0.047,99 0.153,100 4.034,101 1.137,102 8.278,103 1.885,104 7,105 19,106 0.257,107 0.655,108 0.829,109 0.864,110 0.864,111 0.864,112 2.67,113 0.981,114 -3.1,115 -3.09,116 -2.98,119 40.7,120 1,121 1,125 1,140 3,141 3,149 1,150 1,161 1,162 1,163 1,169 7,176 4,178 8,180 1,186 4,189 7,191 1,197 2,199 4,201 1,207 1,208 2,210 1,211 2,213 1,220 2,224 2,231 2,235 2,259 138,260 8.87,261 8.87,262 8.87,263 8.87,264 8.87,265 7.688,266 5.813,267 5.353,268 8.943,269 6.88,270 6.88,271 6.88,272 6.88,273 6.88,274 5.096,275 2.941,276 2.458,277 6.998,278 3.458,279 1.45,280 0.574,281 0.398,282 0.398,283 0.398,284 3.308,288 1,289 1,290 149,291 2,294 23.156,295 27.479,298 42.809,302 0.888,303 5.758,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 27,315 72,316 4.547,317 3.164,318 6.543,319 4.074,320 3.086,321 4.502,323 10.342,324 3.048,325 3.639,326 2.482,327 5.162,328 3.263,329 2.265,330 3.064,332 6.211,333 2.26,334 3.33,335 2.1,336 4.949,337 2.92,338 1.94,339 2.662,341 5.695,342 1.898,343 2.735,344 1.391,345 4.136,346 2.301,347 1.319,348 1.835,350 3.457,351 1.293,352 2.319,353 1.156,354 3.318,355 2.013,356 1.058,357 1.277,359 2.073,360 1.007,361 1.97,362 0.755,363 3.025,364 1.598,365 0.637,366 0.837,368 1.289,369 0.611,370 1.063,371 0.075,372 2.375,373 0.753,374 -0.217,375 -0.259,377 -0.418,378 -0.209,379 0.68,380 -0.358,381 2,382 0.362,383 -0.612,384 -0.718,386 -1.21,387 -0.596,388 0.467,389 -0.883,390 2,391 0.083,392 -0.905,393 -1.311,395 -2.666,396 -0.895,397 -0.014,398 -1.101,399 1.641,400 -0.305,401 -1.28,402 -1.532,404 -2.977,405 -1.24,406 -0.099,407 -1.394,408 1.109,409 -0.525,410 -1.507,411 -1.985,413 -4.097,414 -1.482,415 -0.421,416 -1.731,417 0.853,418 -0.87,419 -1.866,420 -2.53,422 -5.05,423 -1.834,424 -0.5,425 -1.897,426 0.654,427 -0.967,428 -1.918,429 -2.841,431 -5.996,432 -1.86,433 -0.714,434 -2,435 0.234,436 -1,437 -2,438 -3,440 -6.654,441 -2,451 6.3,452 0.485,453 0.277,454 0.021,455 15.75,456 1.212,457 8,458 0.615,459 7.75,460 0.596,461 8.475,462 0.652,463 14.1,464 0.522,465 8.327,466 0.641,467 3.156,468 0.243,469 3.153,470 0.243,471 0.143,473 0.317,479 1.332,480 1.08,481 0.989,482 0.947,483 1.386,484 0.94,485 0.947,486 1.027,487 0.918,488 0.964,489 0.864,490 0.943,491 0.845,492 1.101,493 1.023,494 1.106,495 0.866,496 1.084,497 0.939,498 1.098,499 1.06,500 1.109,501 0.753,502 1.098,503 0.859,504 1.083,505 1.055,506 1.118,507 0.86,508 1.105,509 1.586,510 1.121,511 1.373,512 1.196,513 1.412,514 1.255,515 0.578,516 0.8,517 0.697,518 0.777,519 0.764,520 0.752,521 1.645,522 0.449,523 0.964,524 0.542,525 2.386,526 0.67,527 2.5,529 1.556,530 0.854,531 0.613,532 0.306,533 0.101,534 0.028,537 977,538 2067,539 2.037,540 51.9,541 3,542 5,543 1,545 3,547 2,550 1.487,551 1.902,552 2.541,553 1.314,557 1,559 35.025,560 1.297,561 3.304,562 4.18,563 4.357,564 4.357,565 4.357,566 1.922,567 3.335,568 3.669,569 2.566,570 200.126,571 6.094,572 1450.31,574 1,577 128.382,578 1.42,579 3.628,580 0.179,582 0.082,583 0.05,584 0.047,585 0.034,586 0.025,587 0.014,590 0.431,591 1,592 1,593 1.269,594 46.532,595 -0.171,596 0.142,597 0.01,598 0.12,599 -0.247,600 0.087,601 -0.052,602 0.068,603 0.052,604 0.086,605 -0.039,606 0.079,607 -0.047,608 -0.086,609 -0.071,610 -0.085,611 -0.078,612 -0.081,613 -0.059,614 -0.138,615 -0.108,616 -0.135,617 -0.038,618 -0.127,619 0.146,620 -0.149,621 -0.094,622 -0.181,623 0.123,624 -0.162,625 -0.318,626 -0.174,627 -0.4,628 -0.311,629 -0.247,630 -0.354,631 0.193,632 -0.066,633 0.242,634 0.104,635 0.281,636 0.165,637 -0.259,638 0.334,639 0.019,640 0.242,641 -0.436,642 0.169,643 0.791,644 1.535,645 0.692,646 6.083,647 0.982,648 1.129,649 1.866,650 3.48,651 0.651,652 2.708,653 2.996,654 3.258,655 3.526,656 3.664,657 3.584,658 3.497,659 3.367,660 2.773,661 2.197,662 3.431,663 0.6,664 174.27,665 2.708,666 4.205,667 5.043,668 5.916,669 6.783,670 7.663,671 8.539,672 9.421,673 10.299,674 11.181,675 7.4,676 1,683 1,687 2,688 4,690 1,693 2,695 10,714 27,716 10,717 1,718 14,720 28,721 11,722 8,723 3,724 3,730 2,731 3,736 2,743 1,745 8,746 3,764 14,765 1,766 3,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 13,828 1,833 2,854 6.833,855 4.917,856 2.972,857 1.59,858 2.098,859 1.376,860 1.012,861 2.168,862 7.674,863 2.996,864 3.644,865 4.299,866 4.947,867 5.426,868 5.67,869 5.943,870 6.198,871 5.547,872 5.023,873 0.75,874 17,875 4.782,876 -0.003,877 1.943,878 7.513,879 9.399,880 -0.001,881 7.631,882 0.001,883 2.013,884 26.167,885 0.013,888 129.482,889 62.03,890 49.683,895 62.03,896 129.482,897 49.683,898 8.825,899 37.537,900 37.476,902 25.73,903 13.915,904 117.711,906 129.482,907 111.713,911 105.94,912 23.542,915 63.148,916 48.564,919 129.482,920 49.683,921 62.03,924 129.482,925 15.728,926 46.301,927 16.786,928 32.897,929 129.482,930 49.683,931 62.03,933 0.564,934 0.333,935 0.194,936 0.11,937 10,938 4,939 0.071,940 2,941 1,942 1.222,943 2.521,944 78.979,945 0.222,946 9,947 46.106,951 8.48,952 3.324,953 1.506,954 2.513,955 32.897,956 8.49,958 3.245,961 2.617,963 49.683,964 241.195,965 19,975 26.505,976 30.488,977 0.273,978 0.695,979 0.879,980 0.916,981 0.916,982 0.916,983 4.182,984 -0.612,985 5.017,986 -0.418,987 3.664,988 4.324,990 5.82,991 3.633,992 5.402,993 -0.905,994 6.567,995 -1.21,996 3.219,997 4.227,999 6.72,1000 3.195,1001 6.72,1002 -1.28,1003 8.22,1004 -2.666,1005 5.231,1006 6.654,1008 9.823,1009 5.179,1010 8.084,1011 -1.507,1012 9.935,1013 -2.977,1014 5.638,1015 7.44,1017 11.594,1018 5.586,1019 9.485,1020 -1.866,1021 11.691,1022 -4.097,1023 7.117,1024 9.319,1026 14.202,1027 7.045,1028 10.911,1029 -1.918,1030 13.476,1031 -5.05,1032 7.923,1033 10.506,1035 16.321,1036 7.842,1037 12.358,1038 -2,1039 15.282,1040 -5.996,1041 9.186,1042 12.164,1044 18.759,1045 9.09,1046 3.086,1048 17.104,1049 -6.654,1050 10.173,1051 13.532,1053 21.013,1054 10.065,1055 2.265,1056 10.342,1057 18.938,1059 11.35,1060 15.1,1062 23.388,1063 11.229,1064 1.94,1065 6.211,1066 20.782,1067 4.502,1068 12.417,1069 16.547,1071 25.693,1072 12.283,1073 1.319,1074 5.695,1075 22.634,1076 3.064,1077 13.562,1078 18.077,1080 28.044,1081 13.415,1082 1.058,1083 3.457,1084 24.492,1085 2.662,1086 14.663,1087 19.557,1089 30.368,1090 14.503,1091 0.637,1092 2.073,1093 26.354,1094 1.835,1095 15.796,1096 21.072,1098 32.711,1099 15.623,1100 -0.217,1101 1.289,1102 28.22,1103 1.277,1104 16.911,1105 22.566,1107 35.042,1108 16.726,1109 1047,1110 1561,1111 9.246,1112 17.58,1113 20.793,1114 20.588,1115 21.696,1116 20.593,1117 20.612,1118 28.353,1120 58.135,1121 20.235,1122 5.261,1123 5.164,1124 6.309,1125 5.074,1126 5.086,1127 7.502,1129 16.996,1130 5.048,1131 5.638,1132 1.485,1133 1.471,1134 1.55,1135 1.471,1136 1.472,1137 2.025,1139 4.153,1140 1.445,1141 4.132,1142 4.166,1143 4.088,1144 4.054,1145 5.028,1146 4.058,1147 3.584,1148 3.651,1149 3.457,1150 3.465,1151 4.934,1152 3.456,1153 3.397,1154 3.489,1155 3.234,1156 3.182,1157 4.328,1158 3.182,1159 3.009,1160 3.092,1161 2.842,1162 2.859,1163 3.828,1164 2.844,1165 2.808,1166 2.921,1167 2.573,1168 2.584,1169 3.568,1170 2.567,1171 2.636,1172 2.763,1173 2.369,1174 2.318,1175 3.404,1176 2.314,1177 2.248,1178 2.342,1179 2.019,1180 2.077,1181 2.903,1182 2.051,1183 2.071,1184 2.241,1185 1.706,1186 1.681,1187 2.679,1188 1.665,1189 0.325,1190 0.226,1191 0.467,1192 0.291,1193 0.22,1194 4.547,1195 0.322,1196 3.164,1198 6.543,1199 0.739,1200 4.074,1201 0.218,1202 3.086,1203 4.502,1205 10.342,1206 3.048,1207 1.96,1208 1.938,1209 2.06,1210 2.035,1211 1.249,1212 2.044,1213 1.652,1214 1.593,1215 1.86,1216 1.846,1217 1.05,1218 1.855,1219 1.339,1220 1.258,1221 1.592,1222 1.606,1223 0.649,1224 1.608,1225 1.18,1226 1.098,1227 1.473,1228 1.406,1229 0.543,1230 1.439,1231 0.839,1232 0.76,1233 1.144,1234 1.088,1235 0.179,1236 1.12,1237 0.633,1238 0.509,1239 1.052,1240 0.95,1241 0.087,1242 0.993,1243 0.431,1244 0.307,1245 0.828,1246 0.705,1248 0.755,1249 0.046,1251 0.681,1252 0.48,1254 0.562,1255 3.367,1257 4.654,1258 2.398,1259 6.146,1260 4.727,1261 7.739,1262 6.823,1263 9.387,1265 2.11,1269 5.535,1271 1.657,1280 16.204,1281 35.025,1282 89.221,1283 112.872,1284 117.627,1285 117.627,1286 117.627,1287 12.359,1288 5.576,1289 41.81,1290 41.81,1291 11,1292 11.716,1293 3.459,1294 2.585,1295 19.091,1296 26,1297 29,1298 0.393,1299 103.378,1300 163.78,1301 244.003,1302 1355,1304 9.259,1305 0.712,1306 0.6,1307 9.259,1308 7.801,1309 6.309,1310 0.451,1311 0.327,1312 4.546,1313 6.195,1314 4.383,1315 3.689,1316 6.309,1317 4.577,1318 5.468,1319 0.288,1320 0.179,1321 5.468,1322 3.402,1323 4.484,1324 0.179,1325 0.093,1326 4.484,1327 2.337,1328 3.795,1329 0.115,1330 0.05,1331 3.795,1332 1.655,1333 2.995,1334 0.079,1335 0.029,1336 2.995,1337 1.107,1338 0.567,1339 38.661,1340 0.329,1341 12.914,1342 1.219,1343 66,1344 137.645,1345 68.415,1346 142.222,1347 201.68,1348 134,1349 77,1350 153.394,1351 79.498,1352 160.28,1353 232.46,1354 151,1355 8.194} {0 CHEMBL331612,1 1.378,2 10.217,3 3.038,4 9.23,5 95.029,6 6.727,7 0.577,8 3.927,9 4.072,10 3.433,11 3.442,12 4.884,13 3.406,14 4.504,15 4.712,16 3.749,17 3.874,18 5.349,19 3.8,20 4.758,21 5.019,22 3.665,23 3.997,24 5.474,25 3.856,26 4.79,27 5.07,28 3.562,29 3.961,30 5.492,31 3.793,32 4.72,33 5.019,34 3.456,35 3.828,36 5.391,37 3.655,38 4.566,39 4.857,40 3.428,41 3.704,42 5.273,43 3.564,44 4.457,45 4.722,46 3.406,47 3.643,48 5.242,49 3.514,50 4.447,51 4.732,52 3.202,53 3.571,54 5.177,55 3.416,56 0.072,57 0.736,58 10.832,59 4.008,60 9.366,61 5.982,62 0.206,63 1.187,64 20.169,65 6.86,66 14.831,67 10.463,68 0.193,69 1.35,70 26.403,71 9.537,72 17.995,73 14.465,74 0.194,75 1.33,76 27.476,77 9.915,78 21.713,79 15.097,80 0.207,81 1.2,82 25.888,83 9.085,84 20.475,85 13.963,86 0.207,87 1.065,88 22.219,89 7.302,90 17.205,91 11.429,92 0.191,93 1.001,94 19.679,95 6.618,96 17.646,97 10.238,98 0.222,99 0.944,100 19.795,101 6.172,102 17.878,103 9.768,105 35,106 0.237,107 0.572,108 0.729,109 0.801,110 0.822,111 0.822,112 3.188,113 0.989,114 -4.61,115 -4.53,116 -4.26,119 39.1,121 5,125 3,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 7,171 2,172 5,176 3,178 6,182 4,186 3,189 5,193 6,197 1,199 5,203 6,206 1,211 5,215 4,218 1,222 4,226 3,229 2,233 3,236 1,237 3,242 2,244 3,254 1,256 3,259 749,260 16.206,261 16.206,262 16.206,263 16.206,264 16.206,265 14.519,266 18.06,267 9.855,268 16.547,269 12.886,270 12.886,271 12.886,272 12.886,273 12.886,274 10.347,275 17.441,276 4.713,277 13.442,278 4.146,279 2.196,280 1.283,281 0.859,282 0.739,283 0.739,284 3.893,287 1,288 1,289 1,290 525,291 2.449,294 108.381,295 133.491,298 89.909,302 1.618,303 7.824,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 48.5,315 235,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.888,327 6.095,328 3.689,329 2.753,330 3.731,332 8.884,333 2.578,334 3.53,335 2.823,336 5.342,337 3.449,338 2.52,339 2.813,341 6.968,342 2.341,343 3.419,344 2.187,345 5.127,346 3.02,347 2.038,348 2.595,350 6.002,351 1.997,352 3.248,353 1.795,354 4.514,355 2.732,356 1.778,357 2.511,359 4.655,360 1.693,361 2.749,362 1.591,363 4.135,364 2.538,365 1.551,366 1.853,368 3.509,369 1.529,370 2.564,371 1.337,372 3.674,373 2.274,374 1.294,375 1.567,377 3.181,378 1.267,379 2.405,380 1.115,381 3.387,382 2.04,383 1.075,384 1.369,386 2.383,387 1.035,388 2.207,389 1.077,390 3.289,391 1.984,392 1,393 1.139,395 2.136,396 0.983,397 2.118,398 0.913,399 3.247,400 1.849,401 0.882,402 1,404 2.064,405 0.85,406 2,407 0.644,408 3.147,409 1.544,410 0.618,411 0.927,413 1.416,414 0.56,415 1.942,416 0.618,417 3,418 1.518,419 0.585,420 0.789,422 1.372,423 0.556,424 1.086,425 0.076,426 2.59,427 0.905,428 -0.067,429 -0.074,431 -0.162,432 -0.065,433 0.768,434 -0.442,435 2.434,436 0.407,437 -0.561,438 -0.671,440 -1.357,441 -0.54,442 0.598,443 -0.724,444 2.097,445 0.196,446 -0.797,447 -0.963,449 -1.964,450 -0.791,451 11,452 0.478,453 0.359,454 0.016,455 27.5,456 1.196,457 12,458 0.522,459 15.5,460 0.674,461 19.173,462 0.834,463 25,464 0.543,465 16.203,466 0.704,467 5.041,468 0.219,469 6.358,470 0.276,473 0.255,479 0.87,480 1.449,481 0.868,482 1.173,483 0.579,484 1.045,485 1.138,486 1.077,487 1.021,488 1.01,489 0.738,490 1.004,491 0.878,492 1.006,493 1.004,494 1.048,495 0.654,496 1.041,497 0.768,498 1.016,499 0.981,500 1.072,501 0.71,502 1.054,503 0.656,504 0.961,505 0.86,506 0.983,507 0.763,508 0.951,509 0.89,510 0.921,511 0.857,512 0.879,513 0.743,514 0.867,515 0.835,516 1.106,517 0.961,518 1.081,519 0.877,520 1.043,521 1.25,522 0.894,523 1.128,524 0.962,525 1.45,526 1.02,527 3,528 0.046,529 2.222,530 0.819,531 0.614,532 0.528,533 0.323,534 0.138,535 0.086,536 0.092,537 6540,538 13111,539 2.223,540 50,541 4,542 9,543 1,544 2,545 1,547 6,550 1.654,551 2.19,552 3.338,553 -0.326,554 1,555 1,559 63.374,560 1.378,561 3.327,562 4.241,563 4.665,564 4.784,565 4.784,566 2.773,567 3.915,568 4.494,569 3.496,570 884.468,571 7.72,572 10260.2,574 1,576 1,577 254.084,578 0.828,579 4.498,580 0.115,581 0.004,582 0.063,583 0.026,584 0.023,585 0.022,586 0.013,587 0.006,588 0.005,589 0.006,590 0.284,591 0.33,592 1,594 108.777,595 0.149,596 -0.189,597 0.093,598 -0.075,599 0.329,600 -0.01,601 -0.019,602 0.075,603 -0.041,604 0.012,605 0.112,606 -0.012,607 -0.074,608 -0.017,609 -0.048,610 -0.023,611 0.07,612 -0.031,613 -0.018,614 -0.081,615 -0.027,616 -0.058,617 0.074,618 -0.045,619 0.12,620 -0.068,621 0.103,622 0.007,623 0.112,624 0.046,625 0.061,626 0.018,627 0.124,628 0.09,629 0.14,630 0.11,631 0.141,632 -0.112,633 0.015,634 -0.095,635 0.097,636 -0.061,637 -0.143,638 0.083,639 -0.136,640 -0.018,641 -0.311,642 -0.067,643 0.556,644 0.895,645 0.87,646 20.514,647 0.988,648 1.135,649 3.381,650 11.429,651 0.65,652 3.296,653 3.584,654 3.871,655 4.127,656 4.263,657 4.344,658 4.489,659 4.615,660 4.644,661 4.663,662 6.111,663 0.605,664 309.46,665 3.296,666 4.812,667 5.659,668 6.521,669 7.383,670 8.253,671 9.123,672 9.998,673 10.874,674 11.753,675 10.9,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 46,716 15,717 1,718 26,720 49,721 18,722 10,723 3,724 3,730 4,731 5,740 3,743 5,745 10,746 8,760 1,761 1,764 23,765 3,766 1,767 5,773 5,777 0.75,788 1,792 2,793 2,796 1,815 1,819 3,827 23,833 8,838 1,844 1,854 10.5,855 8.05,856 5.083,857 3.08,858 2.794,859 1.386,860 1.022,861 4.335,862 10.033,863 3.541,864 4.119,865 4.745,866 5.36,867 5.784,868 6.221,869 6.697,870 7.136,871 7.328,872 7.547,873 0.857,874 31,875 8.504,877 3.57,878 7.377,879 17.074,881 14.438,883 1.877,884 43.167,885 0.001,887 1,888 258.964,889 84.363,890 55.135,895 84.363,896 258.964,897 55.135,899 18.99,900 37.476,901 74.105,902 30.324,903 13.915,904 223.651,906 258.964,907 139.497,911 188.338,912 70.627,915 58.036,916 48.136,917 33.326,919 258.964,920 55.135,921 84.363,924 258.964,925 29.649,926 59.737,927 16.786,928 33.326,929 258.964,930 55.135,931 84.363,933 0.569,934 0.334,935 0.184,936 0.089,937 18,938 6,939 0.102,940 5,941 1,942 1.1,943 3.762,944 182.445,945 0.1,946 20,947 96.042,951 14.766,952 6.753,953 3.273,954 2.518,955 36.45,956 12.106,957 7.779,958 3.395,961 2.52,962 1.948,963 16.786,964 398.462,965 33.5,975 45.461,976 52.228,977 0.249,978 0.602,979 0.768,980 0.845,981 0.866,982 0.866,983 4.751,984 1.075,985 5.602,986 3.181,987 4.263,988 4.804,989 0.673,990 6.372,991 4.183,992 5.918,993 1,994 7.124,995 2.383,996 3.611,997 4.477,998 0.325,999 7.182,1000 3.483,1001 7.202,1002 0.882,1003 8.75,1004 2.136,1005 5.802,1006 7.012,1007 0.379,1008 10.296,1009 5.646,1010 8.531,1011 0.618,1012 10.443,1013 2.064,1014 6.089,1015 7.693,1016 0.268,1017 12.018,1018 5.889,1019 9.903,1020 0.585,1021 12.181,1022 1.416,1023 7.641,1024 9.588,1025 0.239,1026 14.601,1027 7.421,1028 11.304,1029 -0.067,1030 13.95,1031 1.372,1032 8.363,1033 10.721,1034 0.188,1035 16.678,1036 8.113,1037 12.728,1038 -0.561,1039 15.74,1040 -0.162,1041 9.653,1042 12.371,1043 0.156,1044 19.09,1045 9.386,1046 3.118,1047 -0.797,1048 17.547,1049 -1.357,1050 10.583,1051 13.708,1052 0.125,1053 21.312,1054 10.296,1055 2.753,1056 10.431,1057 19.365,1058 -1.964,1059 11.764,1060 15.263,1061 0.102,1062 23.668,1063 11.463,1064 2.52,1065 8.884,1066 21.193,1067 4.518,1068 12.793,1069 16.691,1070 0.082,1071 25.951,1072 12.478,1073 2.038,1074 6.968,1075 23.028,1076 3.731,1077 13.932,1078 18.211,1079 0.066,1080 28.289,1081 13.604,1082 1.778,1083 6.002,1084 24.87,1085 2.813,1086 15.008,1087 19.679,1088 0.054,1089 30.6,1090 14.669,1091 1.551,1092 4.655,1093 26.716,1094 2.595,1095 16.134,1096 21.187,1097 0.043,1098 32.934,1099 15.783,1100 1.294,1101 3.509,1102 28.566,1103 2.511,1104 17.234,1105 22.674,1106 0.035,1107 35.259,1108 16.872,1109 6044,1110 8755,1111 18.375,1112 29.881,1113 38.831,1114 38.264,1115 38.43,1116 38.396,1117 38.422,1118 49.625,1119 1.6,1120 106.002,1121 36.9,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1132 1.494,1133 1.472,1134 1.478,1135 1.477,1136 1.478,1137 1.909,1138 0.062,1139 4.077,1140 1.419,1141 4.152,1142 4.19,1143 4.112,1144 4.061,1145 5.135,1146 4.068,1147 3.86,1148 3.932,1149 3.789,1150 3.7,1151 4.927,1152 3.696,1153 3.823,1154 3.898,1155 3.717,1156 3.584,1157 4.341,1158 3.622,1159 3.524,1160 3.593,1161 3.369,1162 3.381,1163 4.252,1164 3.374,1165 3.283,1166 3.351,1167 3.169,1168 3.121,1169 3.943,1170 3.124,1171 3.111,1172 3.206,1173 2.884,1174 2.941,1175 3.721,1176 2.91,1177 3.04,1178 3.136,1179 2.866,1180 2.826,1181 3.474,1182 2.831,1183 2.869,1184 2.945,1185 2.695,1186 2.707,1187 3.459,1188 2.693,1189 0.176,1190 0.123,1191 0.253,1192 0.158,1193 0.12,1194 4.568,1195 0.174,1196 3.196,1197 0.031,1198 6.566,1199 0.401,1200 4.099,1201 0.118,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.074,1210 2.057,1211 1.423,1212 2.061,1213 1.838,1214 1.773,1215 2.03,1216 2.022,1217 1.275,1218 2.032,1219 1.659,1220 1.603,1221 1.876,1222 1.825,1223 1.117,1224 1.845,1225 1.408,1226 1.336,1227 1.592,1228 1.665,1229 0.825,1230 1.645,1231 1.323,1232 1.258,1233 1.513,1234 1.524,1235 0.766,1236 1.53,1237 1.153,1238 1.064,1239 1.49,1240 1.442,1241 0.583,1242 1.429,1243 1.078,1244 0.982,1245 1.315,1246 1.376,1247 0.527,1248 1.379,1249 0.984,1250 0.888,1251 1.219,1252 1.258,1253 0.292,1254 1.286,1255 3.97,1257 5.263,1258 3.045,1259 6.746,1260 5.283,1261 8.318,1262 7.286,1263 9.939,1271 10.288,1276 2.612,1280 27.848,1281 63.374,1282 153.064,1283 195.064,1284 214.574,1285 220.084,1286 220.084,1287 24.125,1288 7.238,1289 49.74,1290 49.74,1291 22,1292 12.291,1293 4,1294 3.087,1295 31.991,1296 83,1297 83,1298 0.185,1299 170.266,1300 276.98,1301 407.209,1302 13936,1304 15.485,1305 0.673,1306 0.583,1307 15.485,1308 13.41,1309 11.399,1310 0.438,1311 0.33,1312 8.469,1313 10.986,1314 8.325,1315 6.894,1316 11.399,1317 8.574,1318 9.814,1319 0.28,1320 0.183,1321 9.814,1322 6.419,1323 8.581,1324 0.183,1325 0.103,1326 8.581,1327 4.837,1328 7.24,1329 0.119,1330 0.058,1331 7.24,1332 3.544,1333 5.34,1334 0.076,1335 0.035,1336 5.34,1337 2.419,1338 0.293,1339 71.035,1340 0.233,1341 22.89,1342 0.499,1343 122,1344 282.913,1345 131.103,1346 280.556,1347 398.7,1348 266,1349 143,1350 309.363,1351 153.463,1352 314.088,1353 455.58,1354 296,1355 7.62} {0 CHEMBL331819,1 1.414,2 14.161,3 2.74,4 7.509,5 128.265,6 6.338,7 0.441,8 4.278,9 4.428,10 3.712,11 3.745,12 5.229,13 3.701,14 4.872,15 5.094,16 4.067,17 4.185,18 5.709,19 4.112,20 5.164,21 5.4,22 4.057,23 4.376,24 5.979,25 4.239,26 5.35,27 5.653,28 4.015,29 4.407,30 6.057,31 4.234,32 5.262,33 5.549,34 3.902,35 4.342,36 5.977,37 4.159,38 5.255,39 5.572,40 3.889,41 4.272,42 5.927,43 4.091,44 5.122,45 5.405,46 3.811,47 4.185,48 5.892,49 4.021,50 5.088,51 5.4,52 3.608,53 4.1,54 5.748,55 3.899,56 0.106,57 1.017,58 16.711,59 5.89,60 14.825,61 9.069,62 0.307,63 1.626,64 30.561,65 9.749,66 20.9,67 15.439,68 0.391,69 1.951,70 40.536,71 13.936,72 38.539,73 21.305,74 0.506,75 2.081,76 48.534,77 15.701,78 48.159,79 24.802,80 0.439,81 1.942,82 44.348,83 14.991,84 43.27,85 23.141,86 0.401,87 1.832,88 43.858,89 14.415,90 41.831,91 22.648,92 0.456,93 1.69,94 38.998,95 12.21,96 44.894,97 19.237,98 0.382,99 1.57,100 37.224,101 11.711,102 34.8,103 18.83,104 21,105 48,106 0.225,107 0.54,108 0.751,109 0.815,110 0.828,111 0.828,112 3.471,113 1.015,114 -4.41,115 -4.34,116 -4.09,119 35.8,120 2,121 4,122 1,124 1,125 5,129 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 7,171 2,172 6,176 5,178 7,182 7,184 1,186 3,189 5,193 6,195 1,197 1,199 5,202 1,203 6,206 1,208 1,211 6,215 4,218 1,220 3,222 7,226 5,229 2,231 1,233 2,236 1,237 6,242 3,244 2,249 1,254 1,256 3,259 1645,260 20.723,261 20.723,262 20.723,263 20.723,264 20.723,265 19.035,266 26.043,267 12.195,268 21.198,269 16.797,270 16.797,271 16.797,272 16.797,273 16.797,274 14.259,275 30.449,276 5.798,277 17.59,278 4.652,279 2.675,280 1.351,281 0.952,282 0.87,283 0.87,284 4.164,288 1,289 1,290 950,291 4.123,294 168.49,295 203.698,298 143.708,302 2.177,303 19.253,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 66,315 439,316 4.568,317 3.524,318 6.995,319 4.256,320 3.3,321 4.518,322 0.8,323 11.9,324 3.146,325 4.3,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,331 0.8,332 10.431,333 3.062,334 4.129,335 2.886,336 6.095,337 3.689,338 2.753,339 3.3,341 8.884,342 2.577,343 3.478,344 2.776,345 5.322,346 3.4,347 2.464,348 2.812,350 6.904,351 2.322,352 3.424,353 2.63,354 5.159,355 3.296,356 2.358,357 2.593,359 6.383,360 2.204,361 3.345,362 2.183,363 5.125,364 3.009,365 2.03,366 2.46,368 6,369 1.981,370 3.246,371 1.904,372 4.514,373 2.731,374 1.777,375 2.352,377 4.655,378 1.691,379 2.761,380 1.795,381 4.312,382 2.707,383 1.757,384 1.849,386 4.203,387 1.66,388 2.74,389 1.374,390 4.134,391 2.32,392 1.334,393 1.758,395 3.483,396 1.314,397 2.43,398 1.173,399 3.802,400 2.1,401 1.135,402 1.405,404 2.562,405 1.093,406 2.266,407 1.077,408 3.501,409 1.984,410 1,411 1.209,413 2.372,414 0.983,415 2.118,416 0.94,417 3.336,418 1.864,419 0.899,420 1,422 2.104,423 0.865,424 2,425 0.685,426 3.26,427 1.571,428 0.618,429 0.927,431 1.489,432 0.586,433 1.995,434 0.618,435 3.152,436 1.518,437 0.613,438 0.833,440 1.372,441 0.556,442 1.303,443 0.349,444 3,445 1.198,446 0.229,447 0.242,449 0.565,450 0.221,451 14.733,452 0.475,453 0.842,454 0.027,455 32.5,456 1.048,457 12,458 0.387,459 20.5,460 0.661,461 34.265,462 1.105,463 35.667,464 0.532,465 22.139,466 0.714,467 5.882,468 0.19,469 9.035,470 0.291,471 0.124,472 0.034,473 0.251,479 0.95,480 1.589,481 0.963,482 1.293,483 0.941,484 1.156,485 1.124,486 1.058,487 0.98,488 0.964,489 0.744,490 0.946,491 1.175,492 1.225,493 1.181,494 1.248,495 1.36,496 1.231,497 0.922,498 0.892,499 0.906,500 0.902,501 0.882,502 0.904,503 0.941,504 1.016,505 1.044,506 1.093,507 1.116,508 1.09,509 0.771,510 0.884,511 0.779,512 0.872,513 0.794,514 0.837,515 1.265,516 1.01,517 1.075,518 1.018,519 1.481,520 1.036,521 0.894,522 0.928,523 1.006,524 0.976,525 0.842,526 0.997,527 7.5,528 0.177,529 3.556,530 1.944,531 1.277,532 0.979,533 0.628,534 0.284,535 0.266,536 0.218,537 14972,538 30423,539 2.077,540 53.7,541 8,542 16,543 1,544 2,545 2,547 3,548 4,550 1.73,551 1.948,552 3.765,553 0.193,559 94.762,560 1.414,561 3.391,562 4.715,563 5.114,564 5.196,565 5.196,566 3.232,567 4.414,568 4.926,569 3.977,570 1849.26,571 8.566,572 28157.7,577 406.428,578 1.501,579 4.881,580 0.221,581 0.007,582 0.074,583 0.044,584 0.03,585 0.027,586 0.017,587 0.009,588 0.01,589 0.009,590 0.448,591 0.17,592 1,593 1.18,594 165.461,595 0.054,596 -0.235,597 0.073,598 -0.082,599 -0.015,600 -0.019,601 -0.04,602 0.143,603 0.05,604 0.104,605 0.063,606 0.094,607 -0.087,608 -0.144,609 -0.182,610 -0.169,611 -0.104,612 -0.186,613 0.007,614 0.034,615 0.064,616 0.073,617 0.06,618 0.076,619 -0.02,620 -0.058,621 -0.075,622 -0.086,623 -0.09,624 -0.09,625 0.08,626 -0.006,627 0.176,628 0.094,629 0.121,630 0.139,631 -0.082,632 -0.047,633 -0.076,634 -0.041,635 -0.13,636 -0.061,637 -0.041,638 -0.006,639 -0.042,640 -0.024,641 -0.07,642 -0.032,643 1.782,644 4.987,645 0.645,646 36.204,647 0.988,648 1.141,649 3.177,650 10.094,651 0.626,652 3.555,653 3.892,654 4.111,655 4.369,656 4.5,657 4.615,658 4.71,659 4.812,660 4.868,661 4.913,662 8.352,663 0.578,664 424.66,665 3.555,666 5.106,667 5.943,668 6.825,669 7.679,670 8.566,671 9.428,672 10.316,673 11.184,674 12.073,675 9,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 67,716 15,717 1,718 34,720 70,721 24,722 10,723 3,724 3,730 4,731 5,736 2,740 2,741 1,743 4,745 10,746 14,747 2,764 36,765 5,766 2,767 7,773 6,777 0.75,778 1,781 1,788 1,792 2,793 2,796 1,815 2,817 1,819 3,823 3,827 31,832 1,833 9,837 1,838 2,839 1,844 1,847 1.5,848 1,854 15.917,855 12.533,856 6.708,857 4.239,858 2.749,859 1.35,860 0.936,861 6.998,862 10.614,863 3.75,864 4.311,865 4.852,866 5.437,867 5.841,868 6.267,869 6.723,870 7.154,871 7.348,872 7.571,873 1,874 44,875 11.519,877 4.828,878 7.476,879 22.888,881 19.247,883 1.976,884 61.25,888 400.217,889 112.086,890 58.259,892 42.683,895 112.086,896 442.901,897 58.259,898 26.047,899 20.667,900 80.16,901 74.105,902 33.449,903 13.915,904 364.904,906 400.217,907 170.345,908 42.683,911 317.82,912 82.398,913 42.683,915 80.487,916 56.532,917 33.326,919 400.217,920 100.943,921 112.086,924 400.217,925 31.326,926 88.908,927 16.786,928 76.009,929 400.217,930 100.943,931 112.086,933 0.585,934 0.323,935 0.174,936 0.084,937 23,938 10,939 0.129,940 9,941 1,942 1.1,943 4.368,944 268.088,945 0.1,946 20,947 143.58,951 22.316,952 9.721,953 5.678,954 2.438,955 82.258,956 12.006,957 7.815,958 3.4,961 2.435,962 1.934,963 59.469,964 613.246,965 41.5,975 66.192,976 76.427,977 0.233,978 0.559,979 0.777,980 0.843,981 0.857,982 0.857,983 5.009,984 1.757,985 5.953,986 4.655,987 4.575,988 4.997,989 1.072,990 6.777,991 4.487,992 6.202,993 1.334,994 7.522,995 4.203,996 4.29,997 4.82,998 0.57,999 7.917,1000 4.148,1001 7.509,1002 1.135,1003 9.199,1004 3.483,1005 6.225,1006 7.158,1007 0.653,1008 10.91,1009 6.053,1010 8.852,1011 1,1012 10.943,1013 2.562,1014 6.758,1015 7.868,1016 0.479,1017 12.888,1018 6.536,1019 10.231,1020 0.899,1021 12.732,1022 2.372,1023 8.189,1024 9.687,1025 0.432,1026 15.468,1027 7.94,1028 11.635,1029 0.618,1030 14.553,1031 2.104,1032 9.077,1033 10.815,1034 0.346,1035 17.747,1036 8.784,1037 13.058,1038 0.613,1039 16.396,1040 1.489,1041 10.329,1042 12.433,1043 0.291,1044 20.22,1045 10.008,1046 3.3,1047 0.229,1048 18.257,1049 1.372,1050 11.373,1051 13.76,1052 0.237,1053 22.607,1054 11.012,1055 3.118,1056 11.9,1057 20.13,1058 0.565,1059 12.564,1060 15.3,1061 0.195,1062 25.057,1063 12.17,1064 2.753,1065 10.431,1066 22.014,1067 4.518,1068 13.677,1069 16.72,1070 0.158,1071 27.485,1072 13.245,1073 2.464,1074 8.884,1075 23.907,1076 3.731,1077 14.848,1078 18.231,1079 0.129,1080 29.934,1081 14.382,1082 2.358,1083 6.904,1084 25.805,1085 3.3,1086 15.993,1087 19.695,1088 0.104,1089 32.38,1090 15.488,1091 2.03,1092 6.383,1093 27.709,1094 2.812,1095 17.161,1096 21.198,1097 0.084,1098 34.834,1099 16.62,1100 1.777,1101 6,1102 29.618,1103 2.593,1104 18.321,1105 22.682,1106 0.068,1107 37.289,1108 17.74,1109 14251,1110 20604,1111 22.652,1112 41.91,1113 51.589,1114 50.389,1115 51.838,1116 50.808,1117 50.769,1118 61.98,1119 3.2,1120 146.616,1121 48.52,1122 5.568,1123 5.524,1124 6.592,1125 5.316,1126 5.3,1127 7.518,1128 1.2,1129 18.565,1130 5.146,1131 15.408,1132 1.517,1133 1.482,1134 1.525,1135 1.494,1136 1.493,1137 1.823,1138 0.094,1139 4.312,1140 1.427,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 6.446,1146 4.069,1147 3.919,1148 3.978,1149 3.809,1150 3.762,1151 5.135,1152 3.765,1153 3.829,1154 3.904,1155 3.787,1156 3.597,1157 4.927,1158 3.628,1159 3.724,1160 3.799,1161 3.575,1162 3.56,1163 4.361,1164 3.555,1165 3.553,1166 3.619,1167 3.405,1168 3.399,1169 4.277,1170 3.397,1171 3.38,1172 3.468,1173 3.234,1174 3.183,1175 4.234,1176 3.186,1177 3.269,1178 3.342,1179 3.117,1180 3.081,1181 4.03,1182 3.078,1183 3.111,1184 3.206,1185 2.912,1186 2.941,1187 3.896,1188 2.91,1189 0.134,1190 0.104,1191 0.206,1192 0.125,1193 0.097,1194 4.568,1195 0.133,1196 3.524,1197 0.024,1198 6.995,1199 0.35,1200 4.256,1201 0.093,1202 3.3,1203 4.518,1204 0.8,1205 11.9,1206 3.146,1207 1.961,1208 1.936,1209 2.073,1210 2.066,1211 1.435,1212 2.072,1213 1.87,1214 1.816,1215 2.034,1216 2.044,1217 1.288,1218 2.042,1219 1.73,1220 1.663,1221 1.977,1222 1.922,1223 1.239,1224 1.944,1225 1.659,1226 1.604,1227 1.874,1228 1.826,1229 1.118,1230 1.846,1231 1.427,1232 1.352,1233 1.694,1234 1.682,1235 0.877,1236 1.682,1237 1.382,1238 1.309,1239 1.581,1240 1.631,1241 0.825,1242 1.628,1243 1.285,1244 1.203,1245 1.513,1246 1.507,1247 0.723,1248 1.517,1249 1.153,1250 1.064,1251 1.487,1252 1.442,1253 0.582,1254 1.429,1255 4.234,1257 5.565,1258 3.045,1259 7.067,1260 5.283,1261 8.654,1262 7.286,1263 10.289,1265 6.583,1270 10.987,1271 8.762,1275 0.63,1276 4.791,1277 -0.532,1280 38.745,1281 94.762,1282 227.193,1283 315.924,1284 342.654,1285 348.163,1286 348.163,1287 53.905,1288 7.865,1289 73.21,1290 73.21,1291 22,1292 12.607,1293 4,1294 3.087,1295 49.873,1296 159,1297 144,1298 0.152,1299 238.611,1300 400.57,1301 573.97,1302 32102,1304 21.847,1305 0.705,1306 0.616,1307 21.847,1308 19.089,1309 14.916,1310 0.439,1311 0.338,1312 11.345,1313 14.338,1314 10.957,1315 9.159,1316 14.916,1317 11.501,1318 14.003,1319 0.292,1320 0.202,1321 14.003,1322 9.673,1323 10.884,1324 0.181,1325 0.107,1326 10.884,1327 6.416,1328 9.361,1329 0.12,1330 0.063,1331 9.361,1332 4.902,1333 6.572,1334 0.074,1335 0.035,1336 6.572,1337 3.142,1338 0.249,1339 93.337,1340 0.21,1341 29.883,1342 0.39,1343 164,1344 376.708,1345 177.62,1346 371.06,1347 513.8,1348 348,1349 190,1350 387.154,1351 205.509,1352 396.552,1353 571.95,1354 369,1355 9.187} {0 CHEMBL331970,1 1.348,2 14.938,3 3.657,4 13.372,5 132.075,6 6.697,7 0.583,8 4.244,9 4.388,10 3.74,11 3.779,12 5.216,13 3.737,14 4.813,15 5.015,16 4.071,17 4.206,18 5.679,19 4.131,20 5.1,21 5.352,22 4.047,23 4.361,24 5.853,25 4.228,26 5.19,27 5.462,28 3.974,29 4.381,30 5.905,31 4.214,32 5.211,33 5.508,34 3.904,35 4.334,36 5.867,37 4.149,38 5.131,39 5.427,40 3.868,41 4.254,42 5.802,43 4.083,44 5.04,45 5.328,46 3.823,47 4.175,48 5.75,49 4.012,50 4.966,51 5.258,52 3.637,53 4.074,54 5.653,55 3.896,56 0.098,57 0.997,58 14.964,59 5.716,60 13.483,61 8.394,62 0.252,63 1.63,64 27.433,65 9.665,66 21.467,67 14.525,68 0.282,69 1.963,70 37.182,71 13.358,72 28.704,73 20.161,74 0.308,75 2.05,76 40.911,77 15.154,78 33.863,79 22.71,80 0.305,81 2.002,82 42.17,83 15.605,84 32.797,85 23.493,86 0.316,87 1.868,88 39.059,89 13.837,90 30.112,91 21.073,92 0.31,93 1.739,94 35.604,95 12.522,96 29.964,97 19.068,98 0.313,99 1.592,100 33.245,101 11.213,102 28.15,103 17.273,104 2,105 49,106 0.214,107 0.555,108 0.751,109 0.822,110 0.842,111 0.842,112 3.502,113 0.979,114 -5.35,115 -5.23,116 -4.89,119 40.6,120 1,121 4,125 3,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 7,178 13,182 3,186 5,189 10,193 6,195 1,197 3,199 11,203 6,206 1,208 1,211 9,215 6,218 1,220 1,222 7,226 5,229 2,231 1,233 4,236 1,237 5,242 3,244 4,249 1,254 1,256 6,259 1804,260 22.292,261 22.292,262 22.292,263 22.292,264 22.292,265 19.877,266 28.735,267 13.391,268 22.696,269 17.813,270 17.813,271 17.813,272 17.813,273 17.813,274 14.254,275 40.737,276 6.397,277 18.473,278 4.652,279 2.504,280 1.27,281 0.828,282 0.699,283 0.699,284 4.214,289 1,290 1069,291 3.317,294 172.509,295 329.938,298 147.121,302 2.324,303 12.81,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 478,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.132,327 6.095,328 3.815,329 2.84,330 3.731,331 0.657,332 8.884,333 2.773,334 4.059,335 2.892,336 6.051,337 3.689,338 2.753,339 3.54,341 8.695,342 2.578,343 3.648,344 2.855,345 5.477,346 3.552,347 2.598,348 2.813,350 7.326,351 2.481,352 3.433,353 2.393,354 5.15,355 3.149,356 2.197,357 2.67,359 6.375,360 2.088,361 3.272,362 2.18,363 5.109,364 2.997,365 2.022,366 2.591,368 5.994,369 1.962,370 3.24,371 1.797,372 4.514,373 2.732,374 1.776,375 2.361,377 4.655,378 1.697,379 3.004,380 1.787,381 4.189,382 2.698,383 1.71,384 2.101,386 3.929,387 1.683,388 2.742,389 1.37,390 4.133,391 2.314,392 1.329,393 1.847,395 3.48,396 1.308,397 2.5,398 1.186,399 3.492,400 2.106,401 1.138,402 1.5,404 2.598,405 1.099,406 2.432,407 1.091,408 3.425,409 2.004,410 1.026,411 1.41,413 2.416,414 1.002,415 2.342,416 1.077,417 3.414,418 2,419 1,420 1.305,422 2.275,423 1,424 2.235,425 1,426 3.313,427 1.984,428 1,429 1.173,431 2.136,432 0.983,433 2.118,434 0.927,435 3.247,436 1.857,437 0.891,438 1,440 2.091,441 0.859,442 2,443 0.667,444 3.173,445 1.559,446 0.618,447 0.927,449 1.458,450 0.574,451 15.4,452 0.481,453 0.585,454 0.018,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 29.998,462 0.937,463 34.4,464 0.538,465 26.042,466 0.814,467 7.381,468 0.231,469 8.378,470 0.262,471 0.032,473 0.279,479 0.937,480 1.366,481 0.89,482 1.12,483 0.776,484 1.02,485 1.188,486 1.125,487 1.026,488 1.028,489 0.818,490 1.014,491 1.085,492 1.037,493 1.066,494 1.045,495 0.83,496 1.052,497 0.849,498 1.033,499 1.054,500 1.105,501 0.82,502 1.101,503 0.671,504 0.966,505 0.907,506 1.008,507 0.756,508 0.986,509 0.838,510 0.933,511 0.913,512 0.945,513 0.773,514 0.938,515 0.841,516 1.001,517 0.949,518 1.009,519 0.819,520 0.993,521 1.131,522 0.936,523 1.089,524 0.998,525 1.182,526 1.033,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.854,533 0.445,534 0.273,535 0.208,536 0.148,537 18108,538 37942,539 2.194,540 50,541 2,542 16,543 1,544 2,545 2,547 5,548 4,550 1.737,551 2.133,552 3.842,553 0.146,559 86.279,560 1.348,561 3.496,562 4.73,563 5.172,564 5.301,565 5.301,566 3.281,567 4.375,568 4.973,569 4.048,570 2007.58,571 8.651,572 31750.6,574 1,577 384,578 1.043,579 4.964,580 0.139,581 0.004,582 0.068,583 0.029,584 0.029,585 0.022,586 0.012,587 0.008,588 0.007,589 0.006,590 0.324,591 0.17,592 0.88,593 0.313,594 173.336,595 0.115,596 -0.128,597 0.081,598 -0.036,599 0.174,600 0.01,601 -0.021,602 0.027,603 -0.037,604 -0.009,605 0.078,606 -0.022,607 -0.129,608 -0.013,609 -0.089,610 -0.038,611 -0.008,612 -0.056,613 -0.021,614 -0.069,615 -0.086,616 -0.097,617 0.006,618 -0.098,619 0.088,620 -0.062,621 0.061,622 -0.01,623 0.073,624 0.017,625 0.045,626 -0.009,627 0.067,628 0.035,629 0.058,630 0.05,631 0.093,632 -0.055,633 0.033,634 -0.03,635 0.058,636 -0.009,637 -0.095,638 0.018,639 -0.098,640 -0.04,641 -0.198,642 -0.064,643 0.919,644 1.329,645 0.813,646 38.758,647 0.986,648 1.131,649 4.115,650 16.936,651 0.655,652 3.611,653 3.912,654 4.19,655 4.431,656 4.595,657 4.654,658 4.796,659 4.905,660 4.956,661 4.997,662 8.772,663 0.609,664 428.64,665 3.611,666 5.142,667 5.989,668 6.851,669 7.711,670 8.578,671 9.444,672 10.313,673 11.183,674 12.055,675 9.4,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 16,746 10,764 32,765 4,766 2,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,823 1,827 32,833 7,834 1,837 2,838 1,844 1,854 15,855 11.383,856 7.028,857 4.108,858 3.531,859 1.432,860 1.007,861 6.562,862 11.699,863 3.861,864 4.431,865 5.022,866 5.598,867 6.028,868 6.35,869 6.794,870 7.2,871 7.396,872 7.611,873 0.9,874 46,875 11.831,877 4.971,878 7.391,879 23.64,881 19.993,883 1.891,884 60.5,888 353.133,889 141.22,890 73.146,895 141.22,896 353.133,897 73.146,898 8.825,899 16.455,900 102.868,901 74.105,902 33.51,903 13.915,904 317.82,906 353.133,907 214.366,911 247.193,912 105.94,915 82.337,916 98.702,917 33.326,919 353.133,920 73.146,921 141.22,924 353.133,925 30.3,926 115.943,927 34.796,928 33.326,929 353.133,930 73.146,931 141.22,933 0.574,934 0.337,935 0.182,936 0.092,937 24,938 9,939 0.118,940 8,941 1,942 1.077,943 4.633,944 283.062,945 0.077,946 26,947 148,951 21.234,952 9.888,953 5.081,954 2.491,955 54.461,956 22.89,957 7.843,958 3.424,961 3.868,962 1.951,963 34.796,964 567.499,965 46.5,975 63.098,976 72.387,977 0.225,978 0.583,979 0.788,980 0.862,981 0.883,982 0.883,983 5.083,984 1.71,985 5.943,986 4.655,987 4.595,988 5.118,989 1.038,990 6.713,991 4.526,992 6.252,993 1.329,994 7.47,995 3.929,996 4.007,997 4.732,998 0.325,999 7.516,1000 3.899,1001 7.531,1002 1.138,1003 9.098,1004 3.48,1005 6.146,1006 7.278,1007 0.607,1008 10.608,1009 6.011,1010 8.848,1011 1.026,1012 10.788,1013 2.598,1014 6.447,1015 7.858,1016 0.268,1017 12.284,1018 6.275,1019 10.204,1020 1,1021 12.518,1022 2.416,1023 7.977,1024 9.786,1025 0.359,1026 14.853,1027 7.784,1028 11.587,1029 1,1030 14.276,1031 2.275,1032 8.689,1033 10.834,1034 0.188,1035 16.885,1036 8.466,1037 12.992,1038 0.891,1039 16.055,1040 2.136,1041 9.966,1042 12.506,1043 0.214,1044 19.281,1045 9.726,1046 3.118,1047 0.618,1048 17.848,1049 2.091,1050 10.878,1051 13.786,1052 0.125,1053 21.469,1054 10.614,1055 2.84,1056 10.431,1057 19.653,1058 1.458,1059 12.049,1060 15.35,1061 0.129,1062 23.808,1063 11.768,1064 2.753,1065 8.884,1066 21.466,1067 4.518,1068 13.058,1069 16.743,1070 0.082,1071 26.067,1072 12.759,1073 2.598,1074 8.695,1075 23.287,1076 3.731,1077 14.185,1078 18.265,1079 0.079,1080 28.39,1081 13.87,1082 2.197,1083 7.326,1084 25.114,1085 3.54,1086 15.244,1087 19.714,1088 0.054,1089 30.685,1090 14.913,1091 2.022,1092 6.375,1093 26.947,1094 2.813,1095 16.356,1096 21.22,1097 0.048,1098 33.007,1099 16.01,1100 1.776,1101 5.994,1102 28.783,1103 2.67,1104 17.44,1105 22.696,1106 0.035,1107 35.319,1108 17.08,1109 16512,1110 24130,1111 25.137,1112 41.932,1113 54.067,1114 53.314,1115 53.673,1116 53.464,1117 53.484,1118 68.872,1119 2.915,1120 148.831,1121 51.65,1122 5.568,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 7.681,1132 1.502,1133 1.481,1134 1.491,1135 1.485,1136 1.486,1137 1.913,1138 0.081,1139 4.134,1140 1.435,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.956,1148 4.005,1149 3.872,1150 3.875,1151 4.927,1152 3.869,1153 3.847,1154 3.912,1155 3.79,1156 3.702,1157 4.763,1158 3.7,1159 3.819,1160 3.885,1161 3.724,1162 3.585,1163 4.397,1164 3.623,1165 3.552,1166 3.623,1167 3.409,1168 3.395,1169 4.259,1170 3.393,1171 3.409,1172 3.484,1173 3.264,1174 3.254,1175 4.141,1176 3.244,1177 3.273,1178 3.342,1179 3.143,1180 3.112,1181 3.915,1182 3.112,1183 3.111,1184 3.206,1185 2.886,1186 2.941,1187 3.726,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.022,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.087,1210 2.071,1211 1.43,1212 2.08,1213 1.933,1214 1.899,1215 2.045,1216 2.048,1217 1.28,1218 2.047,1219 1.831,1220 1.772,1221 2.012,1222 1.98,1223 1.182,1224 1.995,1225 1.663,1226 1.608,1227 1.873,1228 1.83,1229 1.113,1230 1.848,1231 1.445,1232 1.371,1233 1.715,1234 1.68,1235 0.837,1236 1.68,1237 1.398,1238 1.328,1239 1.585,1240 1.631,1241 0.825,1242 1.631,1243 1.307,1244 1.24,1245 1.513,1246 1.505,1247 0.749,1248 1.518,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.581,1254 1.429,1255 4.29,1257 5.595,1258 3.045,1259 7.086,1260 5.283,1261 8.66,1262 7.286,1263 10.278,1265 2.275,1271 8.269,1272 3.829,1275 1.031,1276 2.628,1280 38.977,1281 86.279,1282 223.726,1283 302.716,1284 330.98,1285 339.245,1286 339.245,1287 39.954,1288 8.168,1289 61.77,1290 61.77,1291 28,1292 12.597,1293 4.459,1294 3.524,1295 46.18,1296 173,1297 154,1298 0.128,1299 237.624,1300 395.2,1301 571.561,1302 49798,1304 21.753,1305 0.68,1306 0.586,1307 21.753,1308 18.744,1309 15.759,1310 0.438,1311 0.326,1312 11.62,1313 15.278,1314 11.359,1315 9.415,1316 15.759,1317 11.745,1318 13.808,1319 0.282,1320 0.182,1321 13.808,1322 8.931,1323 11.982,1324 0.184,1325 0.104,1326 11.982,1327 6.761,1328 9.941,1329 0.12,1330 0.059,1331 9.941,1332 4.876,1333 7.584,1334 0.077,1335 0.035,1336 7.584,1337 3.395,1338 0.211,1339 97.605,1340 0.199,1341 30.882,1342 0.324,1343 170,1344 377.246,1345 181.157,1346 377.499,1347 536.69,1348 358,1349 199,1350 414.054,1351 211.462,1352 422.518,1353 612.02,1354 399,1355 9.427} {0 CHEMBL332063,1 1.501,2 13.333,3 1.749,4 3.058,5 119.708,6 6.908,7 0.485,8 4.169,9 4.308,10 3.668,11 3.662,12 5.215,13 3.639,14 4.719,15 4.911,16 4.002,17 4.066,18 5.688,19 4.015,20 4.982,21 5.207,22 4.078,23 4.227,24 5.933,25 4.14,26 5.034,27 5.255,28 4.015,29 4.249,30 5.972,31 4.136,32 5.117,33 5.377,34 3.935,35 4.185,36 6.038,37 4.052,38 5.031,39 5.31,40 3.757,41 4.045,42 5.904,43 3.907,44 4.832,45 5.11,46 3.665,47 3.899,48 5.747,49 3.771,50 4.694,51 4.95,52 3.654,53 3.792,54 5.679,55 3.69,56 0.06,57 0.893,58 13.545,59 5.07,60 11.767,61 7.293,62 0.257,63 1.407,64 24.868,65 8.415,66 24.266,67 12.399,68 0.484,69 1.68,70 33.359,71 11.372,72 44.988,73 16.648,74 0.288,75 1.736,76 34.803,77 12.494,78 41.8,79 18.02,80 0.504,81 1.718,82 39.382,83 12.896,84 62.233,85 19.08,86 0.514,87 1.535,88 36.826,89 11.065,90 56.253,91 16.823,92 0.374,93 1.297,94 29.743,95 9.405,96 44.578,97 14.245,98 0.287,99 1.126,100 25.63,101 8.544,102 38.802,103 12.49,104 15,105 45,106 0.244,107 0.579,108 0.745,109 0.841,110 0.868,111 0.868,112 3.44,113 0.948,114 -2.28,115 -2.31,116 -2.28,119 39,121 1,125 7,140 7,141 3,142 2,149 1,150 1,156 1,161 2,162 2,163 2,169 8,171 1,172 4,176 5,178 8,180 2,181 3,182 4,186 5,189 6,191 2,193 2,194 1,195 1,197 3,199 2,201 3,202 1,203 7,206 1,207 1,208 2,210 1,211 1,213 2,214 1,215 6,220 1,224 1,226 5,228 2,229 2,231 1,235 1,237 8,240 2,249 5,251 1,252 1,259 1500,260 20.809,261 20.809,262 20.809,263 20.809,264 20.809,265 18.822,266 23.797,267 12.374,268 21.205,269 16.184,270 16.184,271 16.184,272 16.184,273 16.184,274 13.04,275 29.529,276 5.668,277 16.816,278 4.382,279 2.32,280 1.303,281 0.712,282 0.542,283 0.542,284 4.139,288 1,289 1,290 869,291 3.464,294 80.085,295 299.633,298 139.141,302 2.133,303 25.51,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64.5,315 400,316 4.55,317 3.742,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.296,326 3.247,327 6.5,328 3.985,329 3.027,330 3.862,331 0.933,332 10.166,333 2.905,334 3.952,335 3.182,336 6.02,337 3.722,338 2.762,339 3.175,340 0.8,341 8.548,342 2.643,343 3.696,344 2.746,345 5.317,346 3.312,347 2.369,348 3.051,349 0.522,350 6.859,351 2.233,352 3.351,353 2.554,354 5.21,355 3.105,356 2.143,357 2.672,358 0.51,359 6.224,360 2.054,361 3.323,362 2.178,363 5.096,364 2.936,365 1.967,366 2.453,368 5.913,369 1.895,370 2.917,371 2.139,372 4.264,373 2.513,374 1.528,375 2.085,377 3.953,378 1.503,379 2.774,380 1.61,381 4.15,382 2.453,383 1.469,384 1.857,386 3.495,387 1.436,388 2.73,389 1.476,390 3.949,391 2.301,392 1.32,393 1.776,395 3.239,396 1.293,397 2.374,398 1.379,399 3.594,400 2.055,401 1.1,402 1.342,404 2.721,405 1.046,406 2.318,407 1.21,408 3.414,409 2.004,410 1.043,411 1.267,413 2.275,414 0.998,415 2.003,416 1.146,417 3.338,418 1.967,419 1,420 1,422 2.111,423 0.965,424 2,425 1.132,426 3.098,427 1.645,428 0.693,429 0.884,431 1.44,432 0.655,433 1.723,434 0.741,435 2.986,436 1.439,437 0.492,438 0.563,440 0.937,441 0.464,442 1.637,443 0.731,444 2.749,445 1.333,446 0.397,447 0.479,449 0.719,450 0.365,451 14.167,452 0.472,453 0.568,454 0.019,455 36.25,456 1.208,457 16.5,458 0.55,459 19.75,460 0.658,461 26.059,462 0.869,463 33.233,464 0.563,465 27.481,466 0.916,467 7.377,468 0.246,469 7.313,470 0.244,471 0.08,473 0.304,479 0.954,480 1.359,481 0.886,482 1.104,483 0.83,484 0.991,485 1.097,486 1.121,487 0.983,488 0.993,489 0.733,490 0.964,491 0.976,492 0.963,493 0.985,494 0.969,495 0.856,496 0.974,497 1.051,498 1.22,499 1.134,500 1.273,501 1.15,502 1.23,503 1.094,504 1.055,505 1.029,506 1.09,507 1.113,508 1.068,509 1.313,510 0.917,511 1.042,512 0.904,513 1.122,514 0.936,515 0.986,516 0.886,517 0.924,518 0.919,519 1.023,520 0.912,521 1.033,522 0.988,523 0.847,524 1.008,525 1.21,526 0.926,527 5,528 0.089,529 3.778,530 1.854,531 1.298,532 0.945,533 0.559,534 0.395,535 0.308,536 0.183,537 13438,538 31154,539 2.107,540 49.2,542 21,543 1,545 5,547 2,550 1.722,551 2,552 3.677,553 2.386,555 1,559 88.543,560 1.501,561 3.563,562 4.58,563 5.171,564 5.34,565 5.34,566 3.127,567 4.64,568 4.88,569 3.88,570 1687.83,571 8.478,572 24671.4,574 1,577 347.076,578 1.295,579 4.851,580 0.152,581 0.004,582 0.084,583 0.039,584 0.031,585 0.026,586 0.018,587 0.014,588 0.011,589 0.007,590 0.385,591 0.17,592 1,593 0.92,594 157.487,595 -0.084,596 -0.083,597 0.043,598 0.003,599 -0.1,600 0.039,601 -0.077,602 0.04,603 -0.017,604 0.041,605 -0.039,606 0.028,607 0.063,608 0.09,609 -0.008,610 0.046,611 0.033,612 0.018,613 -0.074,614 -0.189,615 -0.172,616 -0.235,617 -0.096,618 -0.221,619 0.035,620 -0.123,621 -0.032,622 -0.111,623 -0.012,624 -0.089,625 -0.103,626 -0.007,627 -0.023,628 0.033,629 -0.079,630 0.017,631 0.036,632 0.05,633 0.073,634 0.036,635 0.04,636 0.059,637 0.111,638 -0.059,639 0.153,640 -0.02,641 0.112,642 0.059,643 1.655,644 5.66,645 0.7,646 32.667,647 0.996,648 1.134,649 1.047,650 1.096,651 0.645,652 3.526,653 3.829,654 4.127,655 4.369,656 4.564,657 4.595,658 4.71,659 4.779,660 4.771,661 4.787,662 7.873,663 0.608,664 407.57,665 3.526,666 5.056,667 5.911,668 6.781,669 7.651,670 8.526,671 9.401,672 10.277,673 11.154,674 12.031,675 8.5,676 2,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 1,714 59,716 17,717 2,718 33,720 62,721 23,722 14,723 5,724 7,730 4,731 5,736 2,743 1,745 15,746 8,750 1,755 1,759 1,761 1,764 29,765 6,766 5,767 7,773 5,777 0.75,778 2,788 1,792 1,793 3,796 1,806 1,812 2,819 3,827 30,828 2,833 8,835 1,838 2,847 3.4,850 1,852 1,854 15,855 10.067,856 6.806,857 3.486,858 2.984,859 1.382,860 1.006,861 6.696,862 10.791,863 3.761,864 4.327,865 4.915,866 5.468,867 5.94,868 6.152,869 6.483,870 6.786,871 6.718,872 6.806,873 0.889,874 47,875 11.122,877 4.686,878 7.656,879 21.57,881 17.833,883 2.156,884 64.667,888 282.506,889 118.935,890 88.829,892 36.145,895 118.935,896 318.651,897 88.829,899 88.68,900 75.381,901 29.85,902 47.854,903 13.915,904 270.735,906 282.506,907 207.764,908 36.145,911 258.964,912 59.687,915 105.465,916 102.299,919 282.506,920 124.973,921 118.935,924 282.506,925 43.554,926 81.63,927 16.786,928 101.939,929 282.506,930 124.973,931 118.935,933 0.569,934 0.347,935 0.192,936 0.103,937 21,938 9,939 0.113,940 7,941 1,942 1.095,943 4.259,944 259.103,945 0.095,946 21,947 143.207,951 20.878,952 9.621,953 4.704,954 2.142,955 108.188,956 16.01,958 3.244,961 4.161,963 82.58,964 526.415,965 42,970 12.66,974 0.012,975 58.767,976 66.893,977 0.255,978 0.606,979 0.779,980 0.879,981 0.908,982 0.908,983 4.99,984 1.469,985 5.878,986 3.953,987 4.511,988 5.014,989 2.472,990 6.681,991 4.438,992 6.17,993 1.32,994 7.431,995 3.495,996 4.007,997 4.783,998 1.738,999 7.582,1000 3.909,1001 7.467,1002 1.1,1003 9.086,1004 3.239,1005 6.094,1006 7.2,1007 3.333,1008 10.673,1009 5.952,1010 8.803,1011 1.043,1012 10.802,1013 2.721,1014 6.463,1015 7.87,1016 3.296,1017 12.423,1018 6.297,1019 10.177,1020 1,1021 12.559,1022 2.275,1023 7.968,1024 9.737,1025 4.559,1026 15.009,1027 7.766,1028 11.575,1029 0.693,1030 14.342,1031 2.111,1032 8.735,1033 10.83,1034 4.854,1035 17.095,1036 8.512,1037 12.993,1038 0.492,1039 16.144,1040 1.44,1041 10.004,1042 12.476,1043 5.901,1044 19.511,1045 9.75,1046 3.092,1047 0.397,1048 17.959,1049 0.937,1050 10.956,1051 13.776,1052 6.37,1053 21.735,1054 10.681,1055 3.027,1056 10.36,1057 19.786,1058 0.719,1059 12.128,1060 15.33,1061 7.287,1062 24.091,1063 11.827,1064 2.762,1065 10.166,1066 21.62,1067 4.504,1068 13.165,1069 16.73,1070 7.856,1071 26.373,1072 12.843,1073 2.369,1074 8.548,1075 23.461,1076 3.862,1077 14.298,1078 18.246,1079 8.696,1080 28.708,1081 13.952,1082 2.143,1083 6.859,1084 25.307,1085 3.175,1086 15.375,1087 19.695,1088 9.324,1089 31.015,1090 15.007,1091 1.967,1092 6.224,1093 27.157,1094 3.051,1095 16.493,1096 21.198,1097 10.117,1098 33.344,1099 16.103,1100 1.528,1101 5.913,1102 29.01,1103 2.672,1104 17.589,1105 22.671,1106 10.781,1107 35.662,1108 17.178,1109 12701,1110 19453,1111 22.364,1112 38.074,1113 49.103,1114 49.908,1115 50.643,1116 48.784,1117 48.805,1118 61.941,1119 9.64,1120 137.923,1121 46.994,1122 5.55,1123 5.742,1124 6.313,1125 5.16,1126 5.092,1127 7.504,1128 3.661,1129 17.092,1130 5.043,1131 12.884,1132 1.488,1133 1.512,1134 1.535,1135 1.478,1136 1.479,1137 1.877,1138 0.292,1139 4.179,1140 1.424,1141 4.132,1142 4.165,1143 4.09,1144 4.045,1145 7.427,1146 4.053,1147 3.976,1148 4.021,1149 3.909,1150 3.882,1151 5.045,1152 3.882,1153 3.769,1154 3.821,1155 3.684,1156 3.581,1157 5.022,1158 3.598,1159 3.573,1160 3.633,1161 3.461,1162 3.424,1163 4.956,1164 3.423,1165 3.443,1166 3.504,1167 3.308,1168 3.206,1169 4.686,1170 3.226,1171 3.302,1172 3.404,1173 3.166,1174 3.088,1175 4.562,1176 3.086,1177 3.277,1178 3.339,1179 3.124,1180 3.066,1181 4.263,1182 3.077,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.988,1188 2.91,1189 0.138,1190 0.113,1191 0.198,1192 0.124,1193 0.094,1194 4.55,1195 0.136,1196 3.742,1197 0.062,1198 6.546,1199 0.314,1200 4.076,1201 0.092,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.941,1208 1.919,1209 2.061,1210 2.074,1211 1.309,1212 2.072,1213 1.933,1214 1.904,1215 2.02,1216 2.023,1217 1.224,1218 2.022,1219 1.715,1220 1.655,1221 1.909,1222 1.909,1223 1.109,1224 1.913,1225 1.648,1226 1.59,1227 1.851,1228 1.845,1229 1.017,1230 1.853,1231 1.354,1232 1.311,1233 1.57,1234 1.632,1235 0.825,1236 1.613,1237 1.275,1238 1.187,1239 1.563,1240 1.559,1241 0.729,1242 1.569,1243 1.266,1244 1.182,1245 1.513,1246 1.536,1247 0.623,1248 1.534,1249 1.153,1250 1.064,1251 1.509,1252 1.376,1253 0.555,1254 1.429,1255 4.205,1257 5.509,1258 2.398,1259 7.018,1260 4.727,1261 8.617,1262 6.823,1263 10.262,1269 11.553,1271 4.902,1273 5.813,1276 4.169,1280 35.858,1281 88.543,1282 210.205,1283 270.205,1284 305.076,1285 315.076,1286 315.076,1287 50.305,1288 7.808,1289 100.61,1290 100.61,1291 23,1292 12.569,1293 4.17,1294 3.322,1295 47.418,1296 144,1297 133,1298 0.159,1299 220.366,1300 375.78,1301 529.452,1302 30094,1304 20.924,1305 0.697,1306 0.571,1307 20.924,1308 17.141,1309 14.69,1310 0.445,1311 0.316,1312 10.279,1313 14.138,1314 10.09,1315 8.309,1316 14.69,1317 10.429,1318 12.575,1319 0.279,1320 0.168,1321 12.575,1322 7.549,1323 11.079,1324 0.182,1325 0.093,1326 11.079,1327 5.699,1328 9.169,1329 0.118,1330 0.052,1331 9.169,1332 4.035,1333 7.356,1334 0.077,1335 0.029,1336 7.356,1337 2.716,1338 0.258,1339 91.938,1340 0.211,1341 28.908,1342 0.412,1343 156,1344 407.719,1345 169.695,1346 393.988,1347 544.6,1348 372,1349 184,1350 401.542,1351 198.695,1352 405.684,1353 596.01,1354 384,1355 8.453} {0 CHEMBL332142,1 1.632,2 13.452,3 2.537,4 6.437,5 118.559,6 7.563,7 0.471,8 4.138,9 4.261,10 3.711,11 3.618,12 5.277,13 3.616,14 4.681,15 4.852,16 4.057,17 4.022,18 5.848,19 3.999,20 4.943,21 5.153,22 4.128,23 4.176,24 5.998,25 4.12,26 5.004,27 5.207,28 4.093,29 4.185,30 6.097,31 4.112,32 5.064,33 5.302,34 4.011,35 4.097,36 6.143,37 4.019,38 4.956,39 5.197,40 3.823,41 3.943,42 6.039,43 3.87,44 4.71,45 4.932,46 3.709,47 3.806,48 5.847,49 3.73,50 4.605,51 4.835,52 3.692,53 3.73,54 5.698,55 3.659,56 0.174,57 0.856,58 11.451,59 4.717,60 14.032,61 6.333,62 0.42,63 1.344,64 22.021,65 7.81,66 53.197,67 10.804,68 0.622,69 1.61,70 30.768,71 10.485,72 55.318,73 14.692,74 0.536,75 1.634,76 32.602,77 11.487,78 65.153,79 15.877,80 0.758,81 1.577,82 37.615,83 11.574,84 91.897,85 16.398,86 0.872,87 1.369,88 34.912,89 9.666,90 102.725,91 13.493,92 0.608,93 1.137,94 25.889,95 8.111,96 72.957,97 11.317,98 0.393,99 1.045,100 22.858,101 7.804,102 43.009,103 11.056,104 22,105 47,106 0.266,107 0.6,108 0.735,109 0.819,110 0.854,111 0.86,112 3.471,113 0.905,114 -2.94,115 -2.94,116 -2.84,119 39.3,121 1,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 1,162 1,163 1,164 2,169 7,171 2,172 4,176 4,178 6,180 1,181 4,182 8,186 4,189 5,191 1,192 2,193 7,197 1,199 2,201 1,202 1,203 8,206 1,207 1,208 1,210 1,211 1,213 1,214 2,215 6,220 1,224 1,225 2,226 4,228 1,229 1,231 1,235 1,236 1,237 7,240 2,248 3,249 5,259 1628,260 21.146,261 21.146,262 21.146,263 21.146,264 21.146,265 18.855,266 23.319,267 12.534,268 21.586,269 16.73,270 16.73,271 16.73,272 16.73,273 16.73,274 13.195,275 27.606,276 5.815,277 17.417,278 4.175,279 2.131,280 1.301,281 0.786,282 0.571,283 0.536,284 4.168,288 1,289 1,290 902,291 3.742,294 83.405,295 310.354,298 144.829,302 2.179,303 37.591,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.5,315 417,316 4.55,317 3.813,318 6.636,319 4.076,320 3.093,321 4.504,322 2.612,323 10.583,324 3.043,325 4.438,326 3.74,327 6.546,328 4.043,329 3.087,330 4.122,331 2.055,332 10.36,333 2.95,334 3.965,335 3.183,336 6.027,337 3.739,338 2.782,339 3.18,340 0.933,341 8.57,342 2.652,343 3.716,344 3.088,345 5.568,346 3.328,347 2.388,348 3.089,349 0.8,350 7.042,351 2.243,352 3.668,353 2.742,354 5.314,355 3.247,356 2.297,357 3.017,358 0.51,359 6.841,360 2.178,361 3.344,362 2.359,363 5.096,364 2.939,365 1.97,366 2.672,368 5.914,369 1.899,370 3.2,371 2.158,372 4.45,373 2.736,374 1.748,375 2.382,377 4.293,378 1.722,379 2.784,380 1.98,381 4.171,382 2.457,383 1.481,384 1.859,386 3.646,387 1.437,388 2.735,389 1.476,390 4.098,391 2.301,392 1.32,393 1.794,395 3.451,396 1.294,397 2.61,398 1.379,399 3.647,400 2.059,401 1.106,402 1.597,404 2.721,405 1.049,406 2.369,407 1.339,408 3.466,409 2.004,410 1.045,411 1.337,413 2.303,414 1,415 2.315,416 1.19,417 3.414,418 2,419 1,420 1.263,422 2.275,423 0.998,424 2.003,425 1.146,426 3.338,427 1.967,428 1,429 1,431 2.111,432 0.965,433 2,434 1.132,435 3.097,436 1.644,437 0.691,438 0.882,440 1.438,441 0.653,442 1.719,443 1,444 2.985,445 1.343,446 0.409,447 0.501,449 0.916,450 0.375,451 14.333,452 0.462,453 0.695,454 0.022,455 40.25,456 1.298,457 19.5,458 0.629,459 20.75,460 0.669,461 24.998,462 0.806,463 34.267,464 0.612,465 31.881,466 1.028,467 8.147,468 0.263,469 6.916,470 0.223,471 0.098,473 0.328,479 0.626,480 1.351,481 0.76,482 1.097,483 0.555,484 0.971,485 0.819,486 1.166,487 0.893,488 1.015,489 0.475,490 0.961,491 0.816,492 0.946,493 0.938,494 0.975,495 0.64,496 0.97,497 0.947,498 1.226,499 1.067,500 1.264,501 0.964,502 1.208,503 1.121,504 1.009,505 1.013,506 1.047,507 1.077,508 1.021,509 1.528,510 0.814,511 1.169,512 0.834,513 1.445,514 0.92,515 1.158,516 0.987,517 1.085,518 1.009,519 1.326,520 1.04,521 0.771,522 1.065,523 0.826,524 1.106,525 0.8,526 1.007,527 5.5,528 0.089,529 4,530 2.104,531 1.498,532 1.118,533 0.58,534 0.423,535 0.358,536 0.203,537 14509,538 41411,539 2.084,540 44.6,542 19,543 1,545 3,547 2,550 1.731,551 1.958,552 3.679,553 0.908,555 1,559 91.398,560 1.632,561 3.677,562 4.506,563 5.022,564 5.236,565 5.272,566 3.127,567 4.389,568 4.928,569 3.902,570 1814.43,571 8.574,572 27181,574 1,576 1,577 325.212,578 1.383,579 4.888,580 0.162,581 0.004,582 0.085,583 0.043,584 0.033,585 0.028,586 0.018,587 0.014,588 0.012,589 0.007,590 0.406,591 0.33,592 1,593 0.956,594 164.383,595 0.082,596 -0.084,597 0.055,598 -0.006,599 -0.017,600 0.012,601 0.013,602 -0.012,603 -0.004,604 0.017,605 0.128,606 0.012,607 0.031,608 0.111,609 -0.002,610 0.033,611 0.029,612 0.018,613 -0.035,614 -0.214,615 -0.126,616 -0.237,617 -0.047,618 -0.208,619 -0.045,620 -0.092,621 0.003,622 -0.077,623 -0.057,624 -0.037,625 -0.236,626 0.086,627 -0.113,628 0.096,629 -0.206,630 0.028,631 -0.052,632 -0.038,633 -0.084,634 -0.028,635 -0.122,636 -0.064,637 0.126,638 -0.119,639 0.149,640 -0.093,641 0.065,642 0.009,643 2.374,644 5.624,645 0.677,646 33.888,647 1.012,648 1.134,649 1.71,650 2.926,651 0.651,652 3.555,653 3.871,654 4.159,655 4.407,656 4.605,657 4.635,658 4.745,659 4.82,660 4.836,661 4.82,662 8.021,663 0.629,664 423.52,665 3.555,666 5.094,667 5.948,668 6.823,669 7.695,670 8.574,671 9.45,672 10.33,673 11.209,674 12.09,675 8.9,676 1,681 1,682 1,683 1,686 1,687 2,688 8,690 1,693 4,695 16,708 1,709 1,712 1,714 56,716 19,717 2,718 34,720 59,721 22,722 14,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 7,750 3,752 1,755 3,759 1,761 1,764 25,765 7,766 3,767 9,773 5,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 31,828 1,833 7,835 1,838 2,847 7.1,850 1,852 1,853 2,854 15.833,855 9.767,856 6.917,857 3.311,858 3.234,859 1.41,860 0.99,861 6.633,862 11.124,863 3.829,864 4.416,865 4.979,866 5.542,867 6.014,868 6.232,869 6.563,870 6.831,871 6.812,872 6.864,873 0.889,874 49,875 11.501,877 4.941,878 7.925,879 21.717,881 17.875,883 2.425,884 75.167,887 1,888 258.964,889 116.401,890 61.601,892 86.892,895 116.401,896 345.856,897 61.601,898 5.67,899 53.677,900 75.381,901 29.85,902 47.425,903 13.915,904 247.193,905 50.747,906 258.964,907 178.002,908 86.892,911 235.422,912 59.687,913 50.747,915 70.462,916 101.87,917 5.67,919 258.964,920 148.493,921 116.401,924 258.964,925 41.02,926 87.3,927 16.786,928 119.789,929 258.964,930 148.493,931 116.401,933 0.576,934 0.344,935 0.189,936 0.103,937 22,938 10,939 0.119,940 7,941 1,942 1.095,943 4.301,944 272.124,945 0.095,946 21,947 147.58,951 21.465,952 9.579,953 4.78,954 2.057,955 126.038,956 14.331,958 3.212,961 2.432,963 49.683,964 523.858,965 45,967 -0.374,970 35.161,974 -0.099,975 56.654,976 63.481,977 0.281,978 0.633,979 0.776,980 0.865,981 0.902,982 0.908,983 5.063,984 1.481,985 5.927,986 4.293,987 4.554,988 5.103,989 3.113,990 6.739,991 4.477,992 6.26,993 1.32,994 7.488,995 3.646,996 4.111,997 4.966,998 2.727,999 7.664,1000 4.001,1001 7.568,1002 1.106,1003 9.152,1004 3.451,1005 6.146,1006 7.314,1007 4.506,1008 10.758,1009 5.993,1010 8.915,1011 1.045,1012 10.877,1013 2.721,1014 6.553,1015 8.048,1016 4.759,1017 12.528,1018 6.368,1019 10.297,1020 1,1021 12.641,1022 2.303,1023 8.036,1024 9.871,1025 6.168,1026 15.127,1027 7.815,1028 11.703,1029 1,1030 14.432,1031 2.275,1032 8.825,1033 11.001,1034 6.722,1035 17.233,1036 8.577,1037 13.127,1038 0.691,1039 16.242,1040 2.111,1041 10.087,1042 12.624,1043 7.934,1044 19.665,1045 9.807,1046 3.093,1047 0.409,1048 18.066,1049 1.438,1050 11.054,1051 13.942,1052 8.655,1053 21.91,1054 10.748,1055 3.087,1056 10.583,1057 19.9,1058 0.916,1059 12.226,1060 15.483,1061 9.758,1062 24.285,1063 11.891,1064 2.782,1065 10.36,1066 21.743,1067 4.504,1068 13.275,1069 16.89,1070 10.577,1071 26.588,1072 12.914,1073 2.388,1074 8.57,1075 23.592,1076 4.122,1077 14.412,1078 18.398,1079 11.618,1080 28.943,1081 14.024,1082 2.297,1083 7.042,1084 25.447,1085 3.18,1086 15.498,1087 19.847,1088 12.495,1089 31.271,1090 15.084,1091 1.97,1092 6.841,1093 27.306,1094 3.089,1095 16.623,1096 21.343,1097 13.502,1098 33.62,1099 16.183,1100 1.748,1101 5.914,1102 29.169,1103 3.017,1104 17.727,1105 22.814,1106 14.413,1107 35.959,1108 17.261,1109 13767,1110 23428,1111 22.77,1112 36.461,1113 51.13,1114 52.992,1115 52.766,1116 50.825,1117 50.835,1118 66.399,1119 13.821,1120 144.929,1121 48.916,1122 5.55,1123 5.813,1124 6.403,1125 5.16,1126 5.093,1127 7.504,1128 4.612,1129 17.569,1130 5.043,1131 15.17,1132 1.504,1133 1.559,1134 1.552,1135 1.495,1136 1.495,1137 1.953,1138 0.407,1139 4.263,1140 1.439,1141 4.133,1142 4.165,1143 4.091,1144 4.045,1145 7.815,1146 4.052,1147 4.015,1148 4.052,1149 3.975,1150 3.876,1151 7.427,1152 3.888,1153 3.79,1154 3.843,1155 3.71,1156 3.581,1157 6.999,1158 3.599,1159 3.575,1160 3.634,1161 3.478,1162 3.424,1163 5.037,1164 3.423,1165 3.481,1166 3.518,1167 3.426,1168 3.206,1169 4.957,1170 3.226,1171 3.435,1172 3.484,1173 3.304,1174 3.068,1175 4.711,1176 3.133,1177 3.277,1178 3.339,1179 3.166,1180 3.033,1181 4.562,1182 3.079,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.263,1188 2.91,1189 0.134,1190 0.112,1191 0.195,1192 0.12,1193 0.091,1194 4.55,1195 0.132,1196 3.813,1197 0.077,1198 6.636,1199 0.311,1200 4.076,1201 0.089,1202 3.093,1203 4.504,1204 2.612,1205 10.583,1206 3.043,1207 1.94,1208 1.919,1209 2.047,1210 2.116,1211 1.301,1212 2.087,1213 1.933,1214 1.903,1215 2.019,1216 2.027,1217 1.224,1218 2.023,1219 1.714,1220 1.655,1221 1.899,1222 1.945,1223 1.047,1224 1.923,1225 1.648,1226 1.59,1227 1.851,1228 1.846,1229 1.016,1230 1.853,1231 1.353,1232 1.311,1233 1.564,1234 1.665,1235 0.825,1236 1.613,1237 1.266,1238 1.182,1239 1.513,1240 1.618,1241 0.728,1242 1.551,1243 1.195,1244 1.165,1245 1.509,1246 1.538,1247 0.555,1248 1.533,1249 1.153,1250 1.064,1251 1.283,1252 1.376,1253 0.357,1254 1.429,1255 4.234,1257 5.549,1258 2.398,1259 7.062,1260 4.727,1261 8.664,1262 6.823,1263 10.314,1269 5.668,1271 3.342,1273 5.754,1276 3.682,1280 35.234,1281 91.398,1282 205.893,1283 252.341,1284 281.212,1285 293.212,1286 295.212,1287 63.805,1288 7.89,1289 120.41,1290 120.41,1291 23,1292 12.625,1293 4.322,1294 3.585,1295 49.813,1296 152,1297 142,1298 0.158,1299 215.838,1300 373.42,1301 518.405,1302 33437,1304 21.794,1305 0.703,1306 0.552,1307 21.794,1308 17.121,1309 15.063,1310 0.443,1311 0.302,1312 10.076,1313 14.308,1314 9.926,1315 8.157,1316 15.063,1317 10.256,1318 13.315,1319 0.283,1320 0.159,1321 13.315,1322 7.462,1323 11.318,1324 0.18,1325 0.088,1326 11.318,1327 5.566,1328 9.406,1329 0.116,1330 0.049,1331 9.406,1332 3.929,1333 7.585,1334 0.077,1335 0.027,1336 7.585,1337 2.645,1338 0.257,1339 95.719,1340 0.21,1341 29.666,1342 0.411,1343 162,1344 517.523,1345 181.178,1346 490.506,1347 658.16,1348 456,1349 191,1350 482.484,1351 211.042,1352 478.385,1353 696.93,1354 450,1355 9.38} {0 CHEMBL332484,1 1.321,2 13.6,3 4.983,4 24.828,5 142.524,6 6.303,7 0.244,8 4.406,9 4.545,10 3.858,11 3.964,12 5.237,13 3.906,14 5.065,15 5.263,16 4.296,17 4.482,18 5.837,19 4.391,20 5.435,21 5.678,22 4.305,23 4.692,24 6.13,25 4.539,26 5.542,27 5.837,28 4.182,29 4.62,30 6.243,31 4.434,32 5.36,33 5.649,34 4.118,35 4.446,36 6.135,37 4.299,38 5.197,39 5.443,40 4.143,41 4.429,42 5.984,43 4.299,44 5.278,45 5.541,46 4.016,47 4.447,48 6.039,49 4.282,50 5.227,51 5.516,52 3.85,53 4.347,54 5.886,55 4.149,56 0.09,57 1.129,58 18.73,59 7.531,60 9.698,61 10.969,62 0.361,63 2.029,64 36.518,65 13.91,66 25.215,67 20.566,68 0.353,69 2.677,70 52.324,71 19.95,72 29.929,73 29.532,74 0.441,75 2.693,76 58.173,77 21.231,78 48.654,79 31.66,80 0.514,81 2.259,82 49.296,83 16.623,84 52.235,85 24.935,86 0.307,87 2.078,88 41.519,89 15.197,90 32.84,91 22.535,92 0.395,93 2.179,94 45.082,95 16.14,96 46.496,97 24.064,98 0.311,99 1.993,100 42.088,101 16.185,102 33.76,103 23.867,104 5,105 62,106 0.205,107 0.515,108 0.736,109 0.822,110 0.822,111 0.822,112 3.588,113 1.032,114 -5.25,115 -5.14,116 -4.8,119 40,121 10,122 3,124 1,125 3,127 1,129 1,134 1,135 1,140 3,141 3,149 1,150 1,157 1,169 19,171 1,172 5,174 2,176 6,178 27,182 2,186 6,189 22,193 10,197 6,199 13,203 10,206 1,208 3,211 6,215 11,220 4,222 11,226 5,231 2,233 13,237 5,240 1,242 2,244 16,249 1,254 1,256 14,259 2151,260 24.013,261 24.013,262 24.013,263 24.013,264 24.013,265 22.532,266 24.986,267 13.631,268 24.325,269 20.296,270 20.296,271 20.296,272 20.296,273 20.296,274 17.949,275 35.459,276 6.536,277 20.783,278 4.908,279 2.901,280 1.474,281 0.917,282 0.917,283 0.917,284 4.319,289 1,290 1109,291 3.674,294 184.664,295 618.683,297 414.823,298 151.762,302 2.263,303 21.042,306 1,307 0.67,308 1,309 1,310 0.5,311 1,312 1,313 0.88,314 73,315 476,316 4.572,317 3.77,318 7.29,319 4.442,320 3.462,321 4.516,322 1.706,323 13.121,324 3.393,325 4.472,326 3.41,327 6.578,328 4.123,329 3.135,330 3.565,331 0.8,332 10.485,333 3.098,334 4.131,335 3.238,336 6.138,337 3.837,338 2.867,339 3.489,340 0.728,341 9.022,342 2.791,343 3.868,344 3.041,345 6.033,346 3.729,347 2.778,348 3.021,349 0.167,350 8.605,351 2.64,352 3.81,353 2.889,354 5.965,355 3.614,356 2.632,357 2.886,359 8.414,360 2.575,361 3.508,362 2.562,363 5.646,364 3.453,365 2.475,366 2.613,368 7.812,369 2.408,370 3.34,371 2.312,372 5.111,373 3,374 2,375 2.515,377 6.076,378 2,379 3.098,380 2.112,381 5.061,382 3,383 2,384 2.274,386 6.076,387 2,388 3,389 2,390 5.061,391 2.946,392 1.963,393 2,395 5.925,396 1.928,397 3,398 2,399 4.516,400 2.642,401 1.652,402 2,404 4.566,405 1.628,406 2.712,407 1.606,408 4.232,409 2.319,410 1.345,411 1.788,413 3.691,414 1.307,415 2.501,416 1.454,417 4.115,418 2.193,419 1.227,420 1.421,422 3.336,423 1.177,424 2.334,425 1.388,426 3.956,427 2.106,428 1.128,429 1.302,431 3.001,432 1.099,433 2.137,434 1.233,435 3.417,436 2.047,437 1.066,438 1.12,440 2.383,441 1.043,442 2.079,443 1.14,444 3.414,445 1.984,446 1,447 1.039,449 2.275,450 0.983,451 16.933,452 0.484,453 0.982,454 0.028,455 34.25,456 0.979,457 11,458 0.314,459 23.25,460 0.664,461 43.485,462 1.242,463 38.867,464 0.518,465 22.657,466 0.647,467 5.338,468 0.153,469 11.695,470 0.334,471 0.049,472 0.03,473 0.343,479 0.837,480 1.353,481 0.939,482 1.133,483 0.564,484 1.054,485 0.798,486 1.095,487 0.994,488 1.024,489 0.456,490 1.019,491 0.969,492 1.174,493 1.156,494 1.187,495 0.748,496 1.183,497 1.033,498 1.02,499 0.952,500 0.999,501 1.196,502 0.976,503 1.633,504 0.826,505 0.945,506 0.787,507 2.037,508 0.811,509 1.203,510 1.152,511 1.023,512 1.077,513 1.318,514 1.043,515 1.432,516 1.047,517 1.187,518 1.066,519 1.471,520 1.101,521 0.778,522 1.015,523 0.997,524 1.061,525 0.804,526 1.051,527 9,528 0.171,529 4,530 2.986,531 1.439,532 1.181,533 0.751,534 0.484,535 0.393,536 0.212,537 22551,538 36221,539 2.253,540 53.3,541 9,542 14,543 1,545 2,547 14,550 1.762,551 2.154,552 3.703,553 0.077,559 99.078,560 1.321,561 3.328,562 4.755,563 5.312,564 5.312,565 5.312,566 3.125,567 4.529,568 5.104,569 3.953,570 2351.86,571 8.928,572 37570.5,577 467.161,578 1.373,579 5.076,580 0.22,581 0.005,582 0.065,583 0.051,584 0.029,585 0.025,586 0.015,587 0.012,588 0.011,589 0.007,590 0.439,591 0.33,592 0.75,593 0.383,594 191.27,595 0.019,596 -0.086,597 0.093,598 0.022,599 0.028,600 0.056,601 0.151,602 0.083,603 0.027,604 0.048,605 0.133,606 0.03,607 -0.093,608 -0.111,609 -0.165,610 -0.156,611 -0.028,612 -0.163,613 0.008,614 -0.081,615 0.03,616 -0.032,617 0.005,618 -0.004,619 -0.086,620 0.137,621 0.081,622 0.149,623 -0.137,624 0.131,625 -0.032,626 -0.11,627 -0.011,628 -0.064,629 -0.028,630 -0.04,631 -0.19,632 -0.027,633 -0.176,634 -0.082,635 -0.101,636 -0.121,637 0.028,638 -0.065,639 -0.032,640 -0.07,641 0.02,642 -0.059,643 1.494,644 6.279,645 0.857,646 39.327,647 0.982,648 1.129,649 4.016,650 16.128,651 0.642,652 3.738,653 4.143,654 4.466,655 4.812,656 5.063,657 5.247,658 5.412,659 5.549,660 5.521,661 5.694,662 8.326,663 0.59,664 472.74,665 3.738,666 5.333,667 6.221,668 7.141,669 8.038,670 8.963,671 9.863,672 10.79,673 11.692,674 12.621,675 5.3,678 1,682 2,683 1,687 2,688 4,690 1,693 2,695 10,714 75,716 12,717 1,718 41,720 81,721 30,722 8,723 3,724 3,725 2,730 7,731 12,735 1,740 10,741 4,743 11,745 11,746 19,747 4,750 2,755 1,757 1,759 2,764 40,765 4,766 2,767 5,773 4,777 0.571,778 1,788 1,789 1,792 2,793 6,795 3,796 1,810 1,811 1,815 1,819 4,823 1,827 35,833 13,834 1,837 4,838 2,839 1,847 1.3,850 1,854 16.25,855 13.317,856 7.222,857 5.103,858 2.438,859 1.264,860 1.013,861 5.548,862 11.678,863 3.892,864 4.457,865 4.988,866 5.546,867 6.013,868 6.41,869 6.832,870 7.197,871 7.343,872 7.668,873 0.889,874 58,875 13.145,877 5.921,878 7.331,879 26.92,881 25.075,883 1.831,884 64.083,888 447.302,889 105.561,890 41.045,892 25.145,895 105.561,896 472.447,897 41.045,898 8.396,899 52.797,900 46.952,901 25.145,902 32.04,903 18.191,904 435.531,906 447.302,907 146.606,908 25.145,911 282.506,912 189.94,915 72.707,916 64.422,917 9.476,919 447.302,920 66.19,921 105.561,924 447.302,925 50.212,926 61.597,927 34.796,928 25.145,929 447.302,930 66.19,931 105.561,933 0.602,934 0.355,935 0.197,936 0.103,937 36,938 14,939 0.049,940 4,941 7,942 1.333,943 4.741,944 357.792,945 0.467,946 26,947 165.26,951 22.421,952 8.66,953 4.149,954 2.6,955 49.404,956 9.084,958 3.492,961 2.757,963 34.796,964 619.053,965 48,970 13.279,972 2.293,974 1.558,975 73.639,976 84.676,977 0.212,978 0.534,979 0.763,980 0.853,981 0.853,982 0.853,983 5.218,984 2,985 6.248,986 6.076,987 4.828,988 5.145,989 2.072,990 7.13,991 4.785,992 6.41,993 1.963,994 7.848,995 6.076,996 4.575,997 5.027,998 1.404,999 8.267,1000 4.506,1001 7.734,1002 1.652,1003 9.548,1004 5.925,1005 6.529,1006 7.25,1007 2.586,1008 11.345,1009 6.443,1010 9.083,1011 1.345,1012 11.31,1013 4.566,1014 7.074,1015 7.976,1016 2.512,1017 13.33,1018 6.96,1019 10.468,1020 1.227,1021 13.112,1022 3.691,1023 8.531,1024 9.731,1025 3.421,1026 15.988,1027 8.402,1028 11.874,1029 1.128,1030 14.944,1031 3.336,1032 9.434,1033 10.859,1034 3.634,1035 18.323,1036 9.28,1037 13.299,1038 1.066,1039 16.798,1040 3.001,1041 10.711,1042 12.445,1043 4.385,1044 20.88,1045 10.543,1046 3.462,1047 1,1048 18.671,1049 2.383,1050 11.777,1051 13.768,1052 4.744,1053 23.354,1054 11.588,1055 3.135,1056 13.121,1057 20.559,1058 2.275,1059 12.994,1060 15.293,1061 5.402,1062 25.9,1063 12.79,1064 2.867,1065 10.485,1066 22.46,1067 4.516,1068 14.137,1069 16.71,1070 5.84,1071 28.428,1072 13.913,1073 2.778,1074 9.022,1075 24.372,1076 3.565,1077 15.339,1078 18.215,1079 6.444,1080 30.98,1081 15.1,1082 2.632,1083 8.605,1084 26.293,1085 3.489,1086 16.518,1087 19.677,1088 6.926,1089 33.532,1090 16.26,1091 2.475,1092 8.414,1093 28.222,1094 3.021,1095 17.723,1096 21.178,1097 7.499,1098 36.092,1099 17.448,1100 2,1101 7.812,1102 30.159,1103 2.886,1104 18.921,1105 22.662,1106 8.004,1107 38.653,1108 18.628,1109 19743,1110 25161,1111 28.433,1112 48.182,1113 63.696,1114 64.583,1115 64.677,1116 62.807,1117 62.769,1118 72.874,1119 6.803,1120 192.783,1121 61.4,1122 5.572,1123 5.77,1124 6.809,1125 5.486,1126 5.462,1127 7.516,1128 2.981,1129 19.975,1130 5.393,1131 11.355,1132 1.554,1133 1.575,1134 1.577,1135 1.532,1136 1.531,1137 1.777,1138 0.166,1139 4.702,1140 1.498,1141 4.16,1142 4.196,1143 4.112,1144 4.082,1145 7.429,1146 4.085,1147 4.069,1148 4.112,1149 3.971,1150 3.981,1151 4.966,1152 3.972,1153 3.868,1154 3.928,1155 3.77,1156 3.737,1157 4.499,1158 3.737,1159 3.821,1160 3.88,1161 3.715,1162 3.669,1163 4.452,1164 3.671,1165 3.483,1166 3.53,1167 3.418,1168 3.308,1169 4.367,1170 3.322,1171 3.334,1172 3.397,1173 3.21,1174 3.183,1175 4.145,1176 3.184,1177 3.228,1178 3.304,1179 3.039,1180 3.096,1181 3.88,1182 3.073,1183 3.228,1184 3.304,1185 3.039,1186 3.096,1187 3.784,1188 3.073,1189 0.112,1190 0.092,1191 0.178,1192 0.108,1193 0.084,1194 4.572,1195 0.11,1196 3.77,1197 0.042,1198 7.29,1199 0.32,1200 4.442,1201 0.083,1202 3.462,1203 4.516,1204 1.706,1205 13.121,1206 3.393,1207 2.063,1208 2.022,1209 2.233,1210 2.18,1211 1.699,1212 2.2,1213 1.994,1214 1.972,1215 2.089,1216 2.074,1217 1.345,1218 2.08,1219 1.762,1220 1.716,1221 1.935,1222 1.92,1223 1.285,1224 1.923,1225 1.685,1226 1.629,1227 1.87,1228 1.873,1229 1.143,1230 1.874,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.056,1236 1.795,1237 1.409,1238 1.338,1239 1.627,1240 1.639,1241 0.947,1242 1.638,1243 1.351,1244 1.295,1245 1.567,1246 1.577,1247 0.947,1248 1.574,1249 1.262,1250 1.192,1251 1.562,1252 1.445,1253 0.923,1254 1.489,1255 4.419,1257 5.802,1258 3.045,1259 7.382,1260 5.352,1261 9.058,1262 7.38,1263 10.786,1265 2.26,1271 15.317,1272 3.565,1275 3.234,1276 4.549,1277 0.096,1280 44.283,1281 99.078,1282 249.577,1283 356.632,1284 398.367,1285 398.367,1286 398.367,1287 52.118,1288 9.24,1289 51.37,1290 51.37,1291 40,1292 13.129,1293 3.7,1294 3,1295 43.564,1296 179,1297 142,1298 0.117,1299 260.396,1300 456.19,1301 627.126,1302 169963,1304 23.57,1305 0.673,1306 0.605,1307 23.57,1308 21.191,1309 17.034,1310 0.415,1311 0.344,1312 13.991,1313 16.633,1314 13.65,1315 11.177,1316 17.034,1317 14.103,1318 16.512,1319 0.266,1320 0.203,1321 16.512,1322 12.608,1323 14.455,1324 0.168,1325 0.118,1326 14.455,1327 10.172,1328 13.137,1329 0.108,1330 0.072,1331 13.137,1332 8.723,1333 10.365,1334 0.066,1335 0.041,1336 10.365,1337 6.45,1338 0.189,1339 104.848,1340 0.188,1341 32.565,1342 0.308,1343 206,1344 387.691,1345 216.984,1346 384.604,1347 547.57,1348 364,1349 251,1350 419.791,1351 262.485,1352 430.821,1353 639.44,1354 407,1355 8.398} {0 CHEMBL333089,1 1.462,2 16.514,3 3.103,4 9.63,5 141.388,6 6.936,7 0.538,8 4.31,9 4.452,10 3.829,11 3.818,12 5.326,13 3.789,14 4.873,15 5.077,16 4.157,17 4.231,18 5.814,19 4.172,20 5.128,21 5.365,22 4.114,23 4.392,24 5.968,25 4.275,26 5.222,27 5.486,28 4.062,29 4.42,30 5.984,31 4.263,32 5.251,33 5.544,34 4.002,35 4.347,36 5.994,37 4.187,38 5.123,39 5.402,40 3.985,41 4.27,42 5.893,43 4.131,44 5.074,45 5.335,46 3.94,47 4.236,48 5.874,49 4.094,50 5.09,51 5.381,52 3.804,53 4.165,54 5.833,55 4.003,56 0.077,57 1.073,58 15.368,59 5.81,60 11.613,61 8.482,62 0.327,63 1.714,64 28.779,65 9.571,66 27.534,67 14.476,68 0.389,69 2.009,70 38.146,71 13.288,72 38.994,73 19.722,74 0.243,75 2.093,76 42.035,77 15.837,78 36.05,79 23.603,80 0.404,81 2.046,82 44.799,83 15.165,84 46.032,85 23.179,86 0.378,87 1.871,88 39.008,89 13.165,90 36.349,91 20.062,92 0.332,93 1.814,94 36.672,95 12.662,96 37.83,97 19.107,98 0.453,99 1.76,100 38.314,101 12.058,102 41.761,103 18.852,104 7,105 53,106 0.229,107 0.551,108 0.734,109 0.827,110 0.841,111 0.86,112 3.588,113 0.954,114 -4.64,115 -4.56,116 -4.29,119 39.7,120 1,121 3,125 6,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 10,171 2,172 5,174 1,176 6,178 11,181 1,182 4,186 5,189 8,193 10,197 3,199 6,203 11,206 1,211 4,215 9,218 2,222 3,226 6,229 2,233 1,236 2,237 6,244 2,249 2,252 2,256 4,259 2424,260 24.101,261 24.101,262 24.101,263 24.101,264 24.101,265 21.483,266 30.715,267 14.473,268 24.582,269 19.319,270 19.319,271 19.319,272 19.319,273 19.319,274 15.387,275 36.878,276 6.94,277 20.09,278 4.625,279 2.568,280 1.403,281 0.805,282 0.717,283 0.599,284 4.298,289 1,290 1277,291 3.674,294 194.184,295 367.785,298 166.503,302 2.669,303 18.735,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 74.5,315 578,316 4.568,317 3.533,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.129,326 3.197,327 6.095,328 3.72,329 2.754,330 3.731,331 0.8,332 8.884,333 2.688,334 4.092,335 2.998,336 5.64,337 3.69,338 2.74,339 3.683,340 0.8,341 7.865,342 2.578,343 3.669,344 2.883,345 5.488,346 3.57,347 2.641,348 2.822,349 0.149,350 7.384,351 2.445,352 3.574,353 2.809,354 5.172,355 3.283,356 2.306,357 2.813,359 6.483,360 2.257,361 3.432,362 2.556,363 5.123,364 3.115,365 2.164,366 2.649,368 6.112,369 2.052,370 3.262,371 2.22,372 5.033,373 2.992,374 2.02,375 2.589,377 5.988,378 1.949,379 3.238,380 2.178,381 4.514,382 2.795,383 1.785,384 2.393,386 4.655,387 1.789,388 3.132,389 1.795,390 4.368,391 2.73,392 1.774,393 2.18,395 4.423,396 1.69,397 2.742,398 1.373,399 4.134,400 2.317,401 1.332,402 1.847,404 3.482,405 1.311,406 2.67,407 1.283,408 3.505,409 2.204,410 1.208,411 1.743,413 2.654,414 1.203,415 2.428,416 1.167,417 3.474,418 2.095,419 1.129,420 1.403,422 2.544,423 1.088,424 2.264,425 1.146,426 3.414,427 1.967,428 1,429 1.207,431 2.275,432 0.965,433 2.118,434 0.945,435 3.323,436 1.866,437 0.901,438 1,440 2.107,441 0.868,442 2.004,443 0.792,444 3.214,445 1.673,446 0.7,447 0.927,449 1.661,450 0.68,451 16.633,452 0.475,453 0.708,454 0.02,455 43.5,456 1.243,457 20,458 0.571,459 23.5,460 0.671,461 31.942,462 0.913,463 37.967,464 0.558,465 31.391,466 0.897,467 8.562,468 0.245,469 8.574,470 0.245,471 0.05,473 0.283,479 0.815,480 1.472,481 0.848,482 1.168,483 0.551,484 1.032,485 1.001,486 1.09,487 0.976,488 0.968,489 0.538,490 0.958,491 1.139,492 0.976,493 1.14,494 1.036,495 1.03,496 1.081,497 0.575,498 1.13,499 0.974,500 1.187,501 0.442,502 1.139,503 0.794,504 0.927,505 0.899,506 0.948,507 0.742,508 0.938,509 0.818,510 0.925,511 0.921,512 0.948,513 0.668,514 0.945,515 0.873,516 1.134,517 1.041,518 1.145,519 0.912,520 1.123,521 0.951,522 0.947,523 1.047,524 0.973,525 0.836,526 1.01,527 6.5,528 0.124,529 3.111,530 1.382,531 1.308,532 0.937,533 0.567,534 0.305,535 0.245,536 0.234,537 23447,538 56030,539 2.158,540 48.5,541 2,542 19,543 1,544 2,545 2,546 3,547 4,550 1.759,551 2.079,552 3.977,553 0.162,559 99.449,560 1.462,561 3.52,562 4.684,563 5.282,564 5.37,565 5.488,566 3.397,567 4.786,568 5.102,569 4.21,570 2504.84,571 8.906,572 43521.9,577 413.947,578 1.15,579 5.086,580 0.167,581 0.004,582 0.059,583 0.028,584 0.029,585 0.022,586 0.013,587 0.008,588 0.007,589 0.008,590 0.345,591 0.17,592 0.75,593 0.676,594 196.463,595 0.049,596 -0.213,597 0.076,598 -0.078,599 0.056,600 -0.013,601 0.005,602 0.072,603 -0.009,604 0.04,605 0.108,606 0.02,607 -0.177,608 0.069,609 -0.173,610 -0.02,611 -0.112,612 -0.085,613 0.036,614 -0.176,615 -0.031,616 -0.143,617 0.088,618 -0.103,619 0.023,620 -0.018,621 0.082,622 0.038,623 0.032,624 0.063,625 0.025,626 0.03,627 0.057,628 0.039,629 0.035,630 0.051,631 0.005,632 -0.158,633 -0.07,634 -0.142,635 -0.061,636 -0.123,637 -0.021,638 -0.004,639 -0.054,640 -0.019,641 -0.067,642 -0.037,643 1.695,644 4.287,645 0.743,646 46.851,647 0.993,648 1.134,649 3.409,650 11.622,651 0.653,652 3.689,653 3.989,654 4.234,655 4.489,656 4.654,657 4.736,658 4.852,659 4.977,660 5.03,661 5.088,662 9.772,663 0.613,664 471.67,665 3.689,666 5.22,667 6.057,668 6.919,669 7.769,670 8.636,671 9.493,672 10.363,673 11.225,674 12.096,675 10.3,678 2,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 68,716 22,717 2,718 39,720 72,721 27,722 16,723 5,724 7,730 5,731 6,736 1,743 3,745 17,746 10,750 1,755 1,759 1,764 33,765 6,766 2,767 8,773 7,777 0.8,778 1,788 1,792 2,793 3,796 1,805 1,815 2,819 4,823 1,827 35,833 9,834 1,838 2,844 1,847 1.5,850 1,854 16.833,855 12.25,856 7.667,857 4.227,858 3.771,859 1.447,860 1.008,861 7.576,862 12.207,863 3.942,864 4.511,865 5.064,866 5.656,867 6.089,868 6.433,869 6.849,870 7.259,871 7.426,872 7.64,873 0.909,874 49,875 12.924,877 5.401,878 7.533,879 25.468,881 21.147,883 2.033,884 71.167,888 364.904,889 142.988,890 76.27,892 25.145,895 142.988,896 390.049,897 76.27,898 8.825,899 38.249,900 75.381,901 103.955,902 39.391,903 13.915,904 329.591,906 364.904,907 219.258,908 25.145,911 317.82,912 72.229,915 89.244,916 96.688,917 33.326,919 364.904,920 101.415,921 142.988,924 364.904,925 41.544,926 109.591,927 34.796,928 58.471,929 364.904,930 101.415,931 142.988,933 0.574,934 0.322,935 0.177,936 0.091,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.9,944 313.8,945 0.077,946 26,947 171.525,951 23.741,952 11.169,953 6.176,954 2.455,955 82.73,956 20.229,957 7.835,958 3.414,961 4.603,962 1.94,963 34.796,964 609.307,965 50.5,970 11.287,974 -0.028,975 67.527,976 77.095,977 0.24,978 0.578,979 0.769,980 0.868,981 0.882,982 0.902,983 5.166,984 1.785,985 6.014,986 5.988,987 4.673,988 5.198,989 2.194,990 6.77,991 4.599,992 6.342,993 1.774,994 7.531,995 4.655,996 4.111,997 4.89,998 1.738,999 7.535,1000 4.004,1001 7.625,1002 1.332,1003 9.144,1004 4.423,1005 6.213,1006 7.355,1007 2.953,1008 10.608,1009 6.066,1010 8.943,1011 1.208,1012 10.815,1013 3.482,1014 6.494,1015 7.957,1016 3.061,1017 12.243,1018 6.313,1019 10.295,1020 1.129,1021 12.526,1022 2.654,1023 8.014,1024 9.849,1025 4.047,1026 14.806,1027 7.803,1028 11.672,1029 1,1030 14.265,1031 2.544,1032 8.698,1033 10.9,1034 4.414,1035 16.819,1036 8.461,1037 13.07,1038 0.901,1039 16.024,1040 2.275,1041 9.972,1042 12.556,1043 5.252,1044 19.213,1045 9.711,1046 3.118,1047 0.7,1048 17.801,1049 2.107,1050 10.862,1051 13.834,1052 5.75,1053 21.398,1054 10.58,1055 2.754,1056 10.431,1057 19.591,1058 1.661,1059 12.029,1060 15.389,1061 6.502,1062 23.738,1063 11.727,1064 2.74,1065 8.884,1066 21.392,1067 4.518,1068 13.025,1069 16.779,1070 7.068,1071 26.002,1072 12.707,1073 2.641,1074 7.865,1075 23.204,1076 3.731,1077 14.149,1078 18.295,1079 7.771,1080 28.329,1081 13.815,1082 2.306,1083 7.384,1084 25.023,1085 3.683,1086 15.199,1087 19.74,1088 8.374,1089 30.63,1090 14.852,1091 2.164,1092 6.483,1093 26.85,1094 2.822,1095 16.309,1096 21.243,1097 9.051,1098 32.957,1099 15.948,1100 2.02,1101 6.112,1102 28.682,1103 2.813,1104 17.388,1105 22.716,1106 9.674,1107 35.276,1108 17.016,1109 21643,1110 33632,1111 26.929,1112 44.393,1113 58.161,1114 58.044,1115 57.992,1116 57.504,1117 57.55,1118 74.148,1119 7.312,1120 159.462,1121 55.482,1122 5.568,1123 5.533,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 3.306,1129 17.095,1130 5.062,1131 12.302,1132 1.491,1133 1.488,1134 1.487,1135 1.474,1136 1.476,1137 1.901,1138 0.187,1139 4.089,1140 1.423,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 7.43,1146 4.07,1147 3.962,1148 4.006,1149 3.89,1150 3.879,1151 5.135,1152 3.876,1153 3.844,1154 3.914,1155 3.79,1156 3.653,1157 4.927,1158 3.663,1159 3.816,1160 3.888,1161 3.721,1162 3.579,1163 4.747,1164 3.616,1165 3.565,1166 3.631,1167 3.452,1168 3.387,1169 4.381,1170 3.389,1171 3.509,1172 3.564,1173 3.38,1174 3.305,1175 4.256,1176 3.321,1177 3.34,1178 3.408,1179 3.217,1180 3.182,1181 4.039,1182 3.179,1183 3.24,1184 3.315,1185 3.087,1186 3.076,1187 3.966,1188 3.07,1189 0.117,1190 0.091,1191 0.168,1192 0.105,1193 0.08,1194 4.568,1195 0.116,1196 3.533,1197 0.049,1198 6.566,1199 0.267,1200 4.099,1201 0.079,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.07,1210 2.066,1211 1.375,1212 2.07,1213 1.933,1214 1.901,1215 2.043,1216 2.047,1217 1.275,1218 2.046,1219 1.799,1220 1.731,1221 1.986,1222 1.99,1223 1.188,1224 1.994,1225 1.651,1226 1.592,1227 1.859,1228 1.83,1229 1.096,1230 1.844,1231 1.472,1232 1.416,1233 1.719,1234 1.719,1235 0.881,1236 1.717,1237 1.41,1238 1.339,1239 1.635,1240 1.666,1241 0.825,1242 1.648,1243 1.364,1244 1.299,1245 1.56,1246 1.573,1247 0.721,1248 1.582,1249 1.253,1250 1.182,1251 1.513,1252 1.452,1253 0.7,1254 1.478,1255 4.369,1257 5.673,1258 3.045,1259 7.154,1260 5.283,1261 8.717,1262 7.286,1263 10.327,1265 1.545,1271 9.879,1272 2.87,1276 5.138,1280 41.713,1281 99.449,1282 239.328,1283 318.522,1284 359.193,1285 365.193,1286 373.193,1287 48.172,1288 8.436,1289 82.08,1290 82.08,1291 28,1292 12.641,1293 4.524,1294 3.644,1295 52.788,1296 210,1297 185,1298 0.119,1299 255.079,1300 429.65,1301 614.153,1302 72080,1304 24.037,1305 0.687,1306 0.579,1307 24.037,1308 20.282,1309 17.136,1310 0.439,1311 0.318,1312 12.234,1313 16.469,1314 11.956,1315 9.885,1316 17.136,1317 12.402,1318 15.302,1319 0.289,1320 0.176,1321 15.302,1322 9.331,1323 12.502,1324 0.184,1325 0.1,1326 12.502,1327 6.817,1328 10.59,1329 0.12,1330 0.056,1331 10.59,1332 4.893,1333 8.054,1334 0.077,1335 0.033,1336 8.054,1337 3.38,1338 0.198,1339 107.056,1340 0.193,1341 33.426,1342 0.298,1343 184,1344 466.627,1345 199.453,1346 458.562,1347 636.2,1348 432,1349 213,1350 477.366,1351 229.011,1352 485.07,1353 698.94,1354 456,1355 8.771} {0 CHEMBL333341,1 1.337,2 15.667,3 4.393,4 19.301,5 137.769,6 6.607,7 0.568,8 4.285,9 4.429,10 3.77,11 3.814,12 5.243,13 3.769,14 4.861,15 5.071,16 4.088,17 4.242,18 5.699,19 4.164,20 5.13,21 5.372,22 4.058,23 4.409,24 5.858,25 4.264,26 5.276,27 5.567,28 3.996,29 4.415,30 5.936,31 4.238,32 5.227,33 5.52,34 3.933,35 4.357,36 5.888,37 4.177,38 5.186,39 5.483,40 3.897,41 4.31,42 5.835,43 4.13,44 5.116,45 5.41,46 3.87,47 4.241,48 5.8,49 4.073,50 5.023,51 5.304,52 3.728,53 4.172,54 5.714,55 3.995,56 0.1,57 1.037,58 15.845,59 6.03,60 13.73,61 8.914,62 0.291,63 1.692,64 29.213,65 10.02,66 21.991,67 15.22,68 0.241,69 2.021,70 38.051,71 14.482,72 25.285,73 21.574,74 0.318,75 2.162,76 44.848,77 16.239,78 33.1,79 24.662,80 0.361,81 2.054,82 42.807,83 15.482,84 32.471,85 23.421,86 0.307,87 1.955,88 41.031,89 14.978,90 29.523,91 22.672,92 0.338,93 1.848,94 38.386,95 13.505,96 30.956,97 20.606,98 0.3,99 1.705,100 34.855,101 12.294,102 27.57,103 18.724,104 2,105 50,106 0.211,107 0.53,108 0.74,109 0.821,110 0.841,111 0.841,112 3.531,113 0.985,114 -5.55,115 -5.42,116 -5.06,119 40.3,121 4,122 1,124 1,125 5,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 7,176 3,178 12,182 8,186 3,189 8,193 8,197 1,199 6,202 1,203 7,206 1,211 9,215 4,218 1,222 10,226 5,229 2,233 8,236 1,237 6,242 2,244 5,249 3,254 1,256 4,259 2024,260 22.947,261 22.947,262 22.947,263 22.947,264 22.947,265 20.508,266 26.706,267 13.868,268 23.385,269 18.335,270 18.335,271 18.335,272 18.335,273 18.335,274 14.763,275 28.902,276 6.661,277 19.043,278 4.729,279 2.7,280 1.37,281 0.851,282 0.728,283 0.728,284 4.243,289 1,290 1153,291 3.464,294 180.837,295 347.634,298 154.639,302 2.505,303 11.322,306 0.75,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.84,314 69,315 517,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 2.99,327 6.095,328 3.697,329 2.754,330 3.731,331 0.8,332 8.884,333 2.634,334 3.933,335 2.888,336 5.603,337 3.685,338 2.729,339 3.455,340 0.172,341 7.735,342 2.577,343 3.68,344 2.843,345 5.424,346 3.538,347 2.568,348 2.813,350 7.214,351 2.503,352 3.438,353 2.469,354 5.187,355 3.235,356 2.285,357 2.692,359 6.535,360 2.156,361 3.341,362 2.189,363 5.122,364 3.013,365 2.036,366 2.591,368 5.999,369 1.983,370 3.247,371 2.046,372 4.618,373 2.831,374 1.88,375 2.381,377 4.96,378 1.782,379 3.008,380 1.794,381 4.514,382 2.729,383 1.775,384 2.108,386 4.655,387 1.689,388 2.755,389 1.494,390 4.133,391 2.385,392 1.394,393 1.852,395 3.481,396 1.379,397 2.729,398 1.364,399 3.573,400 2.306,401 1.322,402 1.782,404 2.995,405 1.3,406 2.5,407 1.156,408 3.467,409 2.086,410 1.121,411 1.5,413 2.527,414 1.079,415 2.425,416 1.077,417 3.414,418 2,419 1,420 1.399,422 2.275,423 1,424 2.253,425 1,426 3.316,427 1.984,428 1,429 1.194,431 2.136,432 0.983,433 2.118,434 0.931,435 3.247,436 1.86,437 0.895,438 1,440 2.097,441 0.862,442 2,443 0.669,444 3.177,445 1.562,446 0.618,447 0.927,449 1.468,450 0.578,451 15.9,452 0.482,453 0.602,454 0.018,455 39.75,456 1.205,457 18,458 0.545,459 21.75,460 0.659,461 31.269,462 0.948,463 35.7,464 0.533,465 26.875,466 0.814,467 7.61,468 0.231,469 8.632,470 0.262,471 0.031,473 0.264,479 0.903,480 1.44,481 0.898,482 1.17,483 0.69,484 1.056,485 1.351,486 1.013,487 1.051,488 0.945,489 0.83,490 0.965,491 0.903,492 1.153,493 1.102,494 1.186,495 0.753,496 1.167,497 0.845,498 0.994,499 0.956,500 1.007,501 0.682,502 0.995,503 0.81,504 0.938,505 0.966,506 0.997,507 0.818,508 0.997,509 0.731,510 0.957,511 0.899,512 0.977,513 0.716,514 0.958,515 0.857,516 0.929,517 0.92,518 0.943,519 0.814,520 0.939,521 1.048,522 0.999,523 1.114,524 1.076,525 1.214,526 1.097,527 5.5,528 0.115,529 2.889,530 1.444,531 1.157,532 0.819,533 0.606,534 0.194,535 0.208,536 0.181,537 20033,538 41391,539 2.187,540 50.7,541 2,542 21,543 1,544 2,545 1,547 7,550 1.744,551 2.129,552 3.903,553 -0.412,559 89.563,560 1.337,561 3.366,562 4.696,563 5.215,564 5.338,565 5.338,566 3.366,567 4.56,568 5.016,569 4.119,570 2175.09,571 8.738,572 35657.7,577 406.428,578 1.027,579 5.01,580 0.149,581 0.005,582 0.058,583 0.031,584 0.028,585 0.021,586 0.016,587 0.005,588 0.007,589 0.007,590 0.326,591 0.33,592 0.75,593 0.306,594 181.218,595 0.155,596 -0.194,597 0.089,598 -0.073,599 0.258,600 -0.011,601 -0.089,602 0.147,603 -0.043,604 0.066,605 0.056,606 0.024,607 -0.081,608 -0.126,609 -0.136,610 -0.147,611 -0.008,612 -0.147,613 -0.007,614 -0.059,615 0.016,616 -0.015,617 0.095,619 0.058,620 -0.003,621 0.009,622 -0.012,623 0.032,624 -0.007,625 0.079,626 -0.04,627 0.071,628 0.013,629 0.098,630 0.037,631 0.083,632 0.012,633 0.062,634 0.031,635 0.068,636 0.042,637 -0.083,638 -0.027,639 -0.133,640 -0.094,641 -0.225,642 -0.114,643 0.562,644 0.932,645 0.788,646 42.384,647 0.985,648 1.131,649 4.317,650 18.633,651 0.652,652 3.638,653 3.932,654 4.19,655 4.443,656 4.595,657 4.654,658 4.796,659 4.905,660 4.942,661 5.011,662 9.181,663 0.605,664 442.67,665 3.638,666 5.165,667 6.004,668 6.864,669 7.716,670 8.581,671 9.439,672 10.307,673 11.171,674 12.042,675 9,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 67,716 21,717 2,718 37,720 71,721 27,722 16,723 4,724 8,730 5,731 6,740 2,741 1,743 4,745 16,746 11,747 1,764 34,765 4,766 1,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,827 33,833 9,837 1,838 2,844 1,854 15.5,855 12,856 7.25,857 4.216,858 3.505,859 1.427,860 1.006,861 7.084,862 11.718,863 3.882,864 4.443,865 5.016,866 5.596,867 6.02,868 6.339,869 6.783,870 7.202,871 7.383,872 7.608,873 1,874 46,875 12.204,877 5.089,878 7.369,879 24.481,881 20.608,883 1.869,884 61.667,888 388.446,889 145.003,890 58.259,895 145.003,896 388.446,897 58.259,898 8.396,899 20.667,900 84.857,901 74.105,902 36.634,903 13.915,904 353.133,906 388.446,907 203.262,911 306.049,912 82.398,915 62.837,916 107.099,917 33.326,919 388.446,920 58.259,921 145.003,924 388.446,925 34.512,926 118.639,927 16.786,928 33.326,929 388.446,930 58.259,931 145.003,933 0.572,934 0.329,935 0.181,936 0.091,937 24,938 9,939 0.127,940 9,941 1,942 1.077,943 4.754,944 291.559,945 0.077,946 26,947 152.465,951 22.183,952 10.539,953 5.659,954 2.503,955 39.575,956 22.965,957 7.853,958 3.432,961 3.911,962 1.956,963 16.786,964 591.708,965 47.5,975 65.981,976 75.803,977 0.22,978 0.555,979 0.774,980 0.86,981 0.88,982 0.88,983 5.101,984 1.775,985 5.953,986 4.96,987 4.615,988 5.13,989 1.242,990 6.708,991 4.544,992 6.265,993 1.394,994 7.468,995 4.655,996 4.007,997 4.732,998 0.57,999 7.466,1000 3.89,1001 7.539,1002 1.322,1003 9.08,1004 3.481,1005 6.151,1006 7.277,1007 0.883,1008 10.557,1009 6.012,1010 8.849,1011 1.121,1012 10.753,1013 2.995,1014 6.415,1015 7.842,1016 0.581,1017 12.199,1018 6.234,1019 10.198,1020 1,1021 12.467,1022 2.527,1023 7.955,1024 9.775,1025 0.68,1026 14.769,1027 7.757,1028 11.573,1029 1,1030 14.21,1031 2.275,1032 8.636,1033 10.815,1034 0.515,1035 16.79,1036 8.405,1037 12.971,1038 0.895,1039 15.975,1040 2.136,1041 9.919,1042 12.491,1043 0.541,1044 19.189,1045 9.672,1046 3.118,1047 0.618,1048 17.756,1049 2.097,1050 10.81,1051 13.769,1052 0.441,1053 21.38,1054 10.538,1055 2.754,1056 10.431,1057 19.55,1058 1.468,1059 11.983,1060 15.336,1061 0.438,1062 23.723,1063 11.695,1064 2.729,1065 8.884,1066 21.356,1067 4.518,1068 12.981,1069 16.73,1070 0.373,1071 25.99,1072 12.673,1073 2.568,1074 7.735,1075 23.171,1076 3.731,1077 14.109,1078 18.254,1079 0.358,1080 28.32,1081 13.787,1082 2.285,1083 7.214,1084 24.994,1085 3.455,1086 15.162,1087 19.704,1088 0.314,1089 30.622,1090 14.824,1091 2.036,1092 6.535,1093 26.824,1094 2.813,1095 16.275,1096 21.212,1097 0.296,1098 32.951,1099 15.923,1100 1.88,1101 5.999,1102 28.66,1103 2.692,1104 17.357,1105 22.689,1106 0.264,1107 35.271,1108 16.991,1109 18296,1110 26546,1111 25.83,1112 43.694,1113 55.135,1114 54.295,1115 54.83,1116 54.573,1117 54.57,1118 69.929,1119 3.778,1120 150.467,1121 52.613,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1131 7.829,1132 1.49,1133 1.467,1134 1.482,1135 1.475,1136 1.475,1137 1.89,1138 0.102,1139 4.067,1140 1.422,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.948,1148 3.999,1149 3.859,1150 3.863,1151 4.927,1152 3.856,1153 3.864,1154 3.918,1155 3.79,1156 3.738,1157 4.756,1158 3.733,1159 3.824,1160 3.896,1161 3.746,1162 3.589,1163 4.373,1164 3.625,1165 3.585,1166 3.661,1167 3.445,1168 3.413,1169 4.258,1170 3.414,1171 3.453,1172 3.532,1173 3.309,1174 3.263,1175 4.172,1176 3.266,1177 3.278,1178 3.347,1179 3.158,1180 3.114,1181 3.928,1182 3.115,1183 3.111,1184 3.206,1185 2.913,1186 2.941,1187 3.722,1188 2.91,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.196,1197 0.025,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.094,1210 2.069,1211 1.473,1212 2.081,1213 1.923,1214 1.888,1215 2.044,1216 2.047,1217 1.288,1218 2.046,1219 1.859,1220 1.803,1221 2.025,1222 1.99,1223 1.173,1224 2.006,1225 1.675,1226 1.619,1227 1.886,1228 1.842,1229 1.12,1230 1.861,1231 1.479,1232 1.398,1233 1.731,1234 1.723,1235 0.908,1236 1.729,1237 1.4,1238 1.328,1239 1.587,1240 1.654,1241 0.825,1242 1.637,1243 1.309,1244 1.24,1245 1.513,1246 1.512,1247 0.747,1248 1.523,1249 1.153,1250 1.064,1251 1.491,1252 1.442,1253 0.6,1254 1.429,1255 4.317,1257 5.617,1258 3.045,1259 7.098,1260 5.283,1261 8.661,1262 7.286,1263 10.269,1265 2.259,1271 10.823,1275 0.819,1276 5.145,1280 40.504,1281 89.563,1282 225.512,1283 314.654,1284 349.408,1285 357.673,1286 357.673,1287 41.153,1288 8.213,1289 52.98,1290 52.98,1291 28,1292 12.586,1293 4.459,1294 3.524,1295 48.341,1296 186,1297 171,1298 0.124,1299 247.216,1300 412.5,1301 594.967,1302 53755,1304 22.46,1305 0.681,1306 0.592,1307 22.46,1308 19.528,1309 16.242,1310 0.439,1311 0.328,1312 12.002,1313 15.722,1314 11.7,1315 9.726,1316 16.242,1317 12.143,1318 14.277,1319 0.286,1320 0.19,1321 14.277,1322 9.484,1323 12.019,1324 0.185,1325 0.107,1326 12.019,1327 6.961,1328 10.177,1329 0.121,1330 0.061,1331 10.177,1332 5.154,1333 7.682,1334 0.078,1335 0.037,1336 7.682,1337 3.603,1338 0.205,1339 100.792,1340 0.197,1341 31.809,1342 0.311,1343 174,1344 386.558,1345 184.852,1346 386.616,1347 544.93,1348 366,1349 202,1350 414.124,1351 214.961,1352 426.272,1353 614.28,1354 399,1355 9.046} {0 CHEMBL333784,1 1.687,2 10.64,3 4.66,4 21.717,5 104.802,6 7.95,7 0.222,8 4.007,9 4.119,10 3.78,11 3.602,12 4.862,13 3.515,14 4.654,15 4.841,16 4.138,17 4.051,18 5.711,19 3.934,20 4.985,21 5.214,22 4.318,23 4.263,24 5.895,25 4.082,26 5.08,27 5.33,28 4.13,29 4.187,30 6.037,31 4.002,32 4.983,33 5.248,34 4.062,35 4.029,36 6.005,37 3.875,38 4.794,39 5.037,40 3.985,41 4.004,42 5.766,43 3.845,44 4.837,45 5.091,46 3.909,47 4.062,48 5.587,49 3.846,50 4.837,51 5.101,52 3.74,53 3.923,54 5.737,55 3.701,56 0.065,57 0.737,58 13.694,59 5.46,60 11.923,61 7.024,62 0.345,63 1.249,64 25.593,65 9.552,66 48.656,67 12.629,68 0.361,69 1.589,70 49.605,71 14.903,72 49.157,73 18.379,74 0.551,75 1.579,76 55.873,77 15.954,78 76.619,79 19.151,80 0.779,81 1.384,82 48.724,83 12.785,84 105.499,85 16.395,86 0.576,87 1.258,88 33.374,89 10.788,90 66.273,91 14.615,92 0.236,93 1.279,94 40.34,95 13.188,96 31.291,97 16.854,98 0.495,99 1.11,100 47.971,101 12.706,102 65.742,103 15.654,104 26,105 39,106 0.288,107 0.503,108 0.693,109 0.802,110 0.845,111 0.845,112 3.267,113 1.252,114 -4.85,115 -4.76,116 -4.47,119 35.3,120 1,121 5,122 1,125 4,127 1,140 3,142 3,169 5,171 3,172 6,178 7,182 7,189 6,192 1,193 11,199 3,203 4,211 7,214 2,215 5,222 6,226 3,233 6,237 6,244 5,249 3,256 5,259 947,260 16.341,261 16.341,262 16.341,263 16.341,264 16.341,265 15.272,266 21.016,267 9.397,268 16.895,269 13.264,270 13.264,271 13.264,272 13.264,273 13.264,274 11.609,275 28.338,276 4.426,277 14.315,278 3.986,279 2.729,280 1.613,281 0.976,282 0.721,283 0.721,284 3.94,285 2,288 1,289 1,290 562,291 3.391,294 75.445,295 168.512,302 1.654,303 33.038,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 53.667,315 266,316 4.951,317 4.732,318 7.725,319 4.479,320 3.554,321 4.771,322 0.8,323 13.919,324 3.265,325 4.125,326 3.283,327 6.102,328 3.68,329 2.774,330 3.73,331 0.4,332 8.57,333 2.539,334 3.68,335 2.96,336 5.84,337 3.572,338 2.631,339 2.722,341 7.799,342 2.464,343 3.562,344 2.826,345 5.412,346 3.411,347 2.482,348 2.588,350 7.13,351 2.216,352 3.112,353 2.199,354 4.95,355 3.044,356 2.087,357 2.255,359 5.696,360 1.979,361 3.043,362 2.15,363 4.862,364 2.582,365 1.624,366 2.077,368 4.92,369 1.497,370 2.819,371 1.753,372 4.068,373 2.306,374 1.414,375 1.946,377 3.523,378 1.262,379 2.323,380 1.384,381 3.966,382 2.27,383 1.29,384 1.315,386 3.129,387 1.195,388 2,389 1.077,390 3.467,391 1.984,392 1,393 1,395 2.275,396 0.983,397 1.934,398 1.03,399 3.414,400 1.775,401 0.817,402 0.879,404 2.102,405 0.776,406 1.583,407 0.705,408 3.104,409 1.557,410 0.583,411 0.583,413 1.36,414 0.566,415 1.368,416 0.688,417 2.906,418 0.829,419 0.09,420 0.109,422 0.197,423 0.053,424 1,425 0.151,426 2.513,427 0.807,428 -0.174,429 -0.174,431 -0.381,432 -0.171,433 0.831,434 -0.12,435 2.375,436 0.227,437 -0.646,438 -0.811,440 -1.708,441 -0.436,442 0.743,443 -0.293,444 2.269,445 0.161,446 -0.82,447 -0.863,449 -2.098,450 -0.8,451 12.729,452 0.509,453 0.797,454 0.032,455 24.75,456 0.99,457 9,458 0.36,459 15.75,460 0.63,461 28.481,462 1.139,463 29.271,464 0.574,465 16.21,466 0.648,467 3.874,468 0.155,469 8.001,470 0.32,471 0.204,472 0.065,473 0.259,479 0.467,480 1.572,481 0.676,482 1.221,483 0.581,484 1.058,485 0.649,486 1.153,487 0.668,488 0.848,489 0.461,490 0.938,491 0.811,492 1.14,493 0.907,494 1.085,495 0.626,496 1.015,497 1.179,498 1.037,499 0.897,500 1.036,501 1.391,502 0.956,503 1.133,504 0.85,505 0.626,506 0.738,507 1.458,508 0.779,509 0.603,510 0.936,511 0.62,512 0.811,513 0.676,514 0.947,515 0.638,516 1.129,517 0.933,518 1.094,519 0.513,520 1.072,521 1.307,522 0.893,523 1.254,524 1.032,525 1.321,526 0.986,527 6.5,528 0.115,529 4.222,530 1.938,531 1.686,532 0.802,533 0.496,534 0.471,535 0.238,536 0.167,537 6906,538 18345,539 2.005,540 51,541 4,542 12,547 8,548 2,550 1.68,551 1.84,552 3.363,553 -0.711,559 86.024,560 1.687,561 2.944,562 4.06,563 4.696,564 4.952,565 4.952,566 2.903,567 4.324,568 4.613,569 3.505,570 1051.48,571 7.979,572 12655.5,574 1,577 289.294,578 1.673,579 4.546,580 0.241,581 0.008,582 0.108,583 0.05,584 0.05,585 0.026,586 0.017,587 0.017,588 0.011,589 0.01,590 0.537,591 0.33,592 1,593 0.65,594 120.554,595 0.117,596 -0.241,597 0.128,598 -0.097,599 -0.086,600 -0.001,601 0.166,602 0.039,603 0.074,604 0.089,605 0.25,606 0.026,607 0.01,608 -0.051,609 0.056,610 -0.023,611 0.105,612 -0.02,613 -0.077,614 -0.053,615 0.002,616 -0.026,617 -0.064,618 -0.002,619 0.047,620 0.076,621 0.147,622 0.13,623 -0.017,624 0.134,625 0.226,626 0.083,627 0.097,628 0.044,629 0.129,630 -0.001,631 0.017,632 -0.139,633 -0.011,634 -0.084,635 0.023,636 -0.061,637 -0.162,638 -0.013,639 -0.121,640 -0.03,641 -0.13,642 -0.007,643 4.434,644 6.013,645 0.68,646 22.106,647 1.001,648 1.13,649 3.623,650 13.124,651 0.67,652 3.332,653 3.689,654 3.932,655 4.111,656 4.277,657 4.277,658 4.277,659 4.304,660 4.357,661 4.394,662 6.115,663 0.611,664 405.43,665 3.332,666 4.89,667 5.74,668 6.624,669 7.495,670 8.383,671 9.263,672 10.154,673 11.039,674 11.934,675 3.9,678 2,688 3,693 3,695 6,713 2,714 51,716 8,717 1,718 27,720 53,721 18,722 6,723 3,724 3,730 3,731 3,732 2,736 1,740 5,741 1,743 6,745 6,746 12,747 1,750 2,753 1,755 2,761 1,764 26,765 4,767 7,768 3,773 2,777 1,778 2,789 1,792 1,793 2,815 1,819 3,821 1,823 1,824 2,827 25,830 1,833 9,837 2,838 2,846 2,847 3.9,850 2,854 13.583,855 9.102,856 5.389,857 3.426,858 1.068,859 1.153,860 0.957,861 6.327,862 8.028,863 3.497,864 4.052,865 4.457,866 4.831,867 5.251,868 5.378,869 5.443,870 5.202,871 5.313,872 5.356,873 1,874 39,875 9.58,877 4.355,878 7.752,879 18.434,881 16.088,883 2.252,884 56.306,886 1,887 1,888 306.049,889 72.709,890 4.643,891 78.297,892 44.313,894 5.807,895 66.901,896 428.659,897 4.643,898 8.825,899 21.095,900 34.236,901 44.313,902 13.195,904 306.049,905 78.297,906 306.049,907 71.544,908 44.313,909 84.105,911 188.338,912 162.024,915 34.564,916 36.981,917 84.105,919 306.049,920 48.956,921 151.006,923 5.807,924 306.049,925 29.647,926 41.897,928 122.61,929 306.049,930 48.956,931 151.006,933 0.597,934 0.348,935 0.167,936 0.09,937 19,938 9,939 0.094,940 5,942 1,943 3.626,944 204.162,946 17,947 110.096,950 1,951 19.437,952 8.138,953 4.508,955 48.956,956 4.558,961 0.888,964 506.011,965 32,968 -3.517,970 26.026,975 51.069,976 57.621,977 0.297,978 0.519,979 0.716,980 0.828,981 0.873,982 0.873,983 4.783,984 1.29,985 5.778,986 3.523,987 4.369,988 4.736,989 0.824,990 6.65,991 4.221,992 5.995,993 1,994 7.394,995 3.129,996 4.205,997 4.924,998 0.325,999 7.953,1000 3.897,1001 7.348,1002 0.817,1003 9.133,1004 2.275,1005 6.075,1006 6.989,1007 0.413,1008 11.033,1009 5.771,1010 8.747,1011 0.583,1012 10.951,1013 2.102,1014 6.735,1015 8.039,1016 0.268,1017 13.224,1018 6.272,1019 10.192,1020 0.09,1021 12.824,1022 1.36,1023 8.153,1024 9.723,1025 0.246,1026 15.966,1027 7.674,1028 11.67,1029 -0.174,1030 14.737,1031 0.197,1032 9.158,1033 11.091,1034 0.188,1035 18.458,1036 8.545,1037 13.173,1038 -0.646,1039 16.681,1040 -0.381,1041 10.443,1042 12.679,1043 0.157,1044 21.121,1045 9.783,1046 3.554,1047 -0.82,1048 18.649,1049 -1.708,1050 11.594,1051 14.162,1052 0.125,1053 23.709,1054 10.822,1055 2.774,1056 13.919,1057 20.635,1058 -2.098,1059 12.846,1060 15.725,1061 0.102,1062 26.351,1063 12.009,1064 2.631,1065 8.57,1066 22.634,1067 4.771,1068 14.06,1069 17.251,1070 0.082,1071 28.969,1072 13.124,1073 2.482,1074 7.799,1075 24.645,1076 3.73,1077 15.31,1078 18.808,1079 0.067,1080 31.605,1081 14.298,1082 2.087,1083 7.13,1084 26.663,1085 2.722,1086 16.551,1087 20.353,1088 0.054,1089 34.233,1090 15.449,1091 1.624,1092 5.696,1093 28.688,1094 2.588,1095 17.806,1096 21.91,1097 0.043,1098 36.868,1099 16.623,1100 1.414,1101 4.92,1102 30.717,1103 2.255,1104 19.06,1105 23.464,1106 0.035,1107 39.499,1108 17.789,1109 6783,1110 11430,1111 17.394,1112 34.182,1113 40.557,1114 42.405,1115 42.299,1116 40.947,1117 40.691,1118 47.952,1119 2.4,1120 121.239,1121 37.591,1122 5.951,1123 6.732,1124 7.231,1125 5.553,1126 5.554,1127 7.771,1128 1.2,1129 22.231,1130 5.265,1131 14.047,1132 1.502,1133 1.571,1134 1.567,1135 1.517,1136 1.507,1137 1.776,1138 0.089,1139 4.49,1140 1.392,1141 4.114,1142 4.105,1143 4.747,1144 4.092,1145 7.715,1146 4.008,1147 3.89,1148 3.945,1149 4.057,1150 3.761,1151 6.999,1152 3.754,1153 3.799,1154 3.843,1155 3.769,1156 3.695,1157 5.031,1158 3.678,1159 3.528,1160 3.528,1161 3.606,1162 3.467,1163 4.49,1164 3.383,1165 3.406,1166 3.448,1167 3.4,1168 3.239,1169 4.389,1170 3.221,1171 3.119,1172 3.22,1173 3.234,1174 2.941,1175 4.254,1176 2.91,1177 3.111,1178 3.206,1179 3.089,1180 2.922,1181 4.164,1182 2.898,1183 2.878,1184 2.921,1185 2.878,1186 2.793,1187 3.914,1188 2.766,1189 0.183,1190 0.175,1191 0.286,1192 0.166,1193 0.132,1194 4.951,1195 0.177,1196 4.732,1197 0.03,1198 7.725,1199 0.516,1200 4.479,1201 0.121,1202 3.554,1203 4.771,1204 0.8,1205 13.919,1206 3.265,1207 1.954,1208 1.969,1209 2.085,1210 2.05,1211 1.451,1212 2.072,1213 1.866,1214 1.806,1215 1.921,1216 2,1217 1.313,1218 2.038,1219 1.673,1220 1.624,1221 1.903,1222 1.824,1223 1.207,1224 1.856,1225 1.561,1226 1.53,1227 1.774,1228 1.734,1229 1.068,1230 1.763,1231 1.361,1232 1.323,1233 1.582,1234 1.567,1235 0.839,1236 1.6,1237 1.165,1238 1.104,1239 1.513,1240 1.376,1241 0.825,1242 1.429,1243 1.153,1244 1.064,1245 1.395,1246 1.372,1247 0.654,1248 1.426,1249 0.949,1250 0.862,1251 1.109,1252 1.187,1253 0.387,1254 1.234,1255 4.007,1257 5.352,1258 2.398,1259 6.887,1260 4.595,1261 8.507,1262 6.605,1263 10.172,1265 2.305,1266 11.935,1271 9.073,1275 0.896,1276 4.14,1280 31.163,1281 86.024,1282 150.132,1283 207.055,1284 239.519,1285 252.539,1286 252.539,1287 61.931,1288 6.959,1289 40.62,1290 49,1291 17,1292 12.462,1293 3.17,1294 2.585,1295 41.794,1296 89,1297 103,1298 0.227,1299 201.848,1300 352.57,1301 484.269,1302 9465,1303 3.9,1304 18.027,1305 0.721,1306 0.678,1307 19.277,1308 16.954,1309 11.875,1310 0.44,1311 0.417,1312 9.171,1313 10.23,1314 8.761,1315 7.203,1316 13.241,1317 11.265,1318 11.287,1319 0.289,1320 0.257,1321 13.328,1322 10.006,1323 9.346,1324 0.187,1325 0.163,1326 11.586,1327 8.162,1328 6.955,1329 0.116,1330 0.099,1331 8.61,1332 5.917,1333 5.419,1334 0.076,1335 0.064,1336 7.127,1337 4.512,1338 0.354,1339 87.615,1340 0.24,1341 24.262,1342 0.627,1343 132,1344 356.028,1345 212.063,1346 421.808,1347 547.07,1348 386,1349 155,1350 321.224,1351 241.239,1352 380.831,1353 560.62,1354 357,1355 6.2} {0 CHEMBL334159,1 1.52,2 13.759,3 1.896,4 3.595,5 115.935,6 7.027,7 0.5,8 4.123,9 4.261,10 3.638,11 3.616,12 5.188,13 3.598,14 4.666,15 4.852,16 3.98,17 4.018,18 5.66,19 3.974,20 4.931,21 5.153,22 4.024,23 4.171,24 5.918,25 4.086,26 4.977,27 5.205,28 3.901,29 4.168,30 5.898,31 4.045,32 5.007,33 5.275,34 3.821,35 4.048,36 5.923,37 3.914,38 4.835,39 5.1,40 3.69,41 3.881,42 5.745,43 3.777,44 4.633,45 4.861,46 3.653,47 3.81,48 5.664,49 3.718,50 4.689,51 4.943,52 3.609,53 3.775,54 5.703,55 3.665,56 0.054,57 0.855,58 12.641,59 4.737,60 11.56,61 6.754,62 0.23,63 1.343,64 23.187,65 7.899,66 22.361,67 11.529,68 0.491,69 1.602,70 31.562,71 10.514,72 47.768,73 15.343,74 0.251,75 1.598,76 32.853,77 11.905,78 42.221,79 17.074,80 0.49,81 1.496,82 35.691,83 11.856,84 59.561,85 17.287,86 0.468,87 1.281,88 30.314,89 8.915,90 45.232,91 13.322,92 0.261,93 1.144,94 23.486,95 7.678,96 36.935,97 11.294,98 0.325,99 1.128,100 25.542,101 8.451,102 47.729,103 12.292,104 12,105 44,106 0.25,107 0.59,108 0.728,109 0.807,110 0.843,111 0.843,112 3.407,113 0.933,114 -2.33,115 -2.36,116 -2.32,119 39.3,121 1,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 2,162 2,163 2,169 6,171 1,172 4,176 6,178 6,180 3,181 3,182 4,186 6,189 6,191 3,193 1,197 1,199 2,201 1,202 1,203 7,205 1,206 2,207 1,208 1,210 1,211 1,213 1,214 1,215 6,220 1,224 1,226 4,228 1,229 1,231 1,235 1,237 8,239 1,240 3,249 4,259 1390,260 19.886,261 19.886,262 19.886,263 19.886,264 19.886,265 17.875,266 23.572,267 11.781,268 20.296,269 15.745,270 15.745,271 15.745,272 15.745,273 15.745,274 12.631,275 27.177,276 5.509,277 16.401,278 4.287,279 2.217,280 1.373,281 0.893,282 0.679,283 0.679,284 4.106,288 1,289 1,290 871,291 3.317,294 77.661,295 292.163,298 135.1,302 2.197,303 24.714,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62.5,315 399,316 4.55,317 3.741,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.14,326 3.183,327 6.169,328 3.864,329 2.919,330 3.675,331 0.933,332 9.124,333 2.758,334 3.944,335 3.106,336 5.988,337 3.672,338 2.711,339 3.176,340 0.8,341 8.458,342 2.601,343 3.698,344 2.742,345 5.315,346 3.316,347 2.371,348 3.057,349 0.51,350 6.855,351 2.24,352 3.589,353 2.481,354 5.097,355 3.251,356 2.287,357 2.861,359 6.098,360 2.197,361 3.344,362 2.249,363 5.045,364 2.94,365 1.971,366 2.672,368 5.914,369 1.9,370 2.922,371 2.154,372 4.433,373 2.648,374 1.666,375 1.965,377 4.415,378 1.626,379 2.742,380 1.565,381 4.164,382 2.305,383 1.33,384 1.844,386 3.563,387 1.296,388 2.5,389 1.475,390 4.061,391 2.19,392 1.245,393 1.5,395 3.352,396 1.169,397 2.427,398 1.379,399 3.414,400 2.015,401 1.062,402 1.401,404 2.275,405 1.008,406 2.325,407 1.146,408 3.414,409 2,410 1,411 1.278,413 2.275,414 1,415 2.003,416 1.132,417 3.339,418 1.967,419 1,420 1,422 2.113,423 0.965,424 2,425 1,426 3.1,427 1.645,428 0.694,429 0.884,431 1.442,432 0.655,433 1.719,434 0.74,435 2.986,436 1.346,437 0.413,438 0.504,440 0.924,441 0.379,442 1.149,443 0.236,444 2.569,445 0.853,446 -0.11,447 -0.129,449 -0.243,450 -0.105,451 13.667,452 0.471,453 0.623,454 0.021,455 36.25,456 1.25,457 17,458 0.586,459 19.25,460 0.664,461 23.778,462 0.82,463 31.933,464 0.57,465 26.932,466 0.929,467 7.328,468 0.253,469 6.807,470 0.235,471 0.083,473 0.315,479 0.957,480 1.352,481 0.869,482 1.087,483 0.829,484 0.97,485 1.069,486 1.167,487 0.956,488 1.01,489 0.663,490 0.964,491 1.044,492 0.95,493 1.053,494 0.98,495 0.932,496 1.006,497 1.029,498 1.199,499 1.127,500 1.276,501 1.17,502 1.233,503 1.022,504 0.955,505 0.933,506 1.024,507 1.065,508 0.992,509 1.468,510 0.86,511 1.018,512 0.818,513 1.133,514 0.855,515 1.153,516 1.138,517 1.085,518 1.136,519 1.231,520 1.105,521 1.046,522 0.989,523 0.949,524 1.061,525 1.342,526 1.011,527 5.5,528 0.073,529 3.778,530 1.479,531 1.178,532 0.966,533 0.58,534 0.32,535 0.295,536 0.223,537 12571,538 29925,539 2.111,540 48.2,542 19,543 1,545 5,547 2,550 1.713,551 2,552 3.721,553 2.425,554 1,555 1,559 85.113,560 1.52,561 3.59,562 4.435,563 4.914,564 5.129,565 5.129,566 3.224,567 4.513,568 4.829,569 3.891,570 1579.59,571 8.373,572 22574.5,574 1,576 1,577 325.212,578 1.314,579 4.8,580 0.172,581 0.003,582 0.086,583 0.034,584 0.032,585 0.029,586 0.019,587 0.011,588 0.011,589 0.009,590 0.406,591 0.17,592 1,593 0.841,594 150.968,595 -0.093,596 -0.086,597 0.041,598 0.004,599 -0.106,600 0.041,601 -0.066,602 -0.012,603 -0.004,604 0.02,605 0.003,606 0.021,607 0.021,608 0.108,609 -0.078,610 0.021,611 0.001,612 -0.028,613 -0.086,614 -0.209,615 -0.17,616 -0.24,617 -0.125,618 -0.221,619 0.108,620 -0.069,621 0.072,622 -0.044,623 0.024,624 -0.005,625 -0.134,626 0.06,627 0.015,628 0.12,629 -0.066,630 0.093,631 -0.053,632 -0.118,633 -0.102,634 -0.144,635 -0.018,636 -0.129,637 0.09,638 -0.056,639 0.052,640 -0.08,641 0.036,642 -0.031,643 1.654,644 5.585,645 0.724,646 31.855,647 0.998,648 1.134,649 1.1,650 1.21,651 0.648,652 3.497,653 3.807,654 4.078,655 4.304,656 4.522,657 4.575,658 4.663,659 4.7,660 4.736,661 4.82,662 7.84,663 0.613,664 393.54,665 3.497,666 5.03,667 5.878,668 6.744,669 7.607,670 8.478,671 9.347,672 10.219,673 11.09,674 11.963,675 8.9,676 1,679 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,705 1,709 1,712 1,714 56,716 17,717 2,718 32,720 59,721 22,722 14,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 7,750 1,755 1,759 1,761 1,764 27,765 6,766 5,767 7,773 5,777 0.75,778 2,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 29,828 2,833 7,835 1,838 2,847 3.6,850 1,852 1,854 14.5,855 9.567,856 6.444,857 3.271,858 2.893,859 1.375,860 1.011,861 6.159,862 10.61,863 3.738,864 4.314,865 4.882,866 5.43,867 5.924,868 6.146,869 6.454,870 6.754,871 6.696,872 6.825,873 1,874 44,875 10.737,877 4.542,878 7.678,879 20.754,881 17.175,883 2.178,884 63.167,888 258.964,889 116.401,890 88.829,892 36.145,895 116.401,896 295.109,897 88.829,899 53.677,900 108.278,901 29.85,902 47.425,903 13.915,904 247.193,906 258.964,907 205.229,908 36.145,911 235.422,912 59.687,915 70.462,916 134.767,919 258.964,920 124.973,921 116.401,924 258.964,925 41.02,926 81.63,927 16.786,928 101.939,929 258.964,930 124.973,931 116.401,933 0.576,934 0.338,935 0.179,936 0.1,937 21,938 9,939 0.102,940 6,941 1,942 1.095,943 4.218,944 245.775,945 0.095,946 21,947 132.881,951 19.919,952 8.967,953 4.622,954 2.142,955 108.188,956 15.661,958 3.24,961 3.755,963 82.58,964 500.338,965 41,970 12.585,974 0.012,975 55.883,976 63.478,977 0.262,978 0.618,979 0.764,980 0.846,981 0.883,982 0.883,983 4.97,984 1.33,985 5.849,986 4.415,987 4.489,988 5.001,989 2.425,990 6.635,991 4.411,992 6.155,993 1.245,994 7.393,995 3.563,996 4.007,997 4.783,998 1.738,999 7.486,1000 3.896,1001 7.451,1002 1.062,1003 9.035,1004 3.352,1005 6.061,1006 7.182,1007 3.327,1008 10.552,1009 5.91,1010 8.783,1011 1,1012 10.734,1013 2.275,1014 6.415,1015 7.836,1016 3.296,1017 12.243,1018 6.233,1019 10.15,1020 1,1021 12.471,1022 2.275,1023 7.909,1024 9.702,1025 4.559,1026 14.806,1027 7.694,1028 11.539,1029 0.694,1030 14.234,1031 2.113,1032 8.648,1033 10.774,1034 4.854,1035 16.845,1036 8.406,1037 12.947,1038 0.413,1039 16.015,1040 1.442,1041 9.911,1042 12.425,1043 5.901,1044 19.237,1045 9.64,1046 3.092,1047 -0.11,1048 17.81,1049 0.924,1050 10.836,1051 13.712,1052 6.37,1053 21.428,1054 10.542,1055 2.919,1056 10.36,1057 19.617,1058 -0.243,1059 11.999,1060 15.271,1061 7.287,1062 23.762,1063 11.681,1064 2.711,1065 9.124,1066 21.432,1067 4.504,1068 13.015,1069 16.668,1070 7.856,1071 26.02,1072 12.677,1073 2.371,1074 8.458,1075 23.254,1076 3.675,1077 14.139,1078 18.189,1079 8.696,1080 28.338,1081 13.78,1082 2.287,1083 6.855,1084 25.082,1085 3.176,1086 15.2,1087 19.639,1088 9.324,1089 30.627,1090 14.822,1091 1.971,1092 6.098,1093 26.915,1094 3.057,1095 16.309,1096 21.147,1097 10.117,1098 32.943,1099 15.914,1100 1.666,1101 5.914,1102 28.752,1103 2.861,1104 17.393,1105 22.624,1106 10.781,1107 35.249,1108 16.981,1109 11830,1110 18363,1111 21.671,1112 36.313,1113 47.932,1114 48.591,1115 49.14,1116 47.521,1117 47.518,1118 60.64,1119 8.597,1120 134.336,1121 45.671,1122 5.55,1123 5.741,1124 6.313,1125 5.159,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 12.701,1132 1.498,1133 1.518,1134 1.536,1135 1.485,1136 1.485,1137 1.895,1138 0.269,1139 4.198,1140 1.427,1141 4.132,1142 4.164,1143 4.09,1144 4.045,1145 7.427,1146 4.052,1147 3.961,1148 4.009,1149 3.893,1150 3.855,1151 5.114,1152 3.858,1153 3.766,1154 3.817,1155 3.683,1156 3.579,1157 5.034,1158 3.596,1159 3.573,1160 3.633,1161 3.462,1162 3.424,1163 4.956,1164 3.423,1165 3.446,1166 3.506,1167 3.315,1168 3.208,1169 4.566,1170 3.229,1171 3.282,1172 3.346,1173 3.172,1174 3.069,1175 4.54,1176 3.082,1177 3.111,1178 3.206,1179 2.904,1180 2.941,1181 4.204,1182 2.91,1183 3.042,1184 3.139,1185 2.866,1186 2.82,1187 3.985,1188 2.83,1189 0.142,1190 0.117,1191 0.205,1192 0.127,1193 0.097,1194 4.55,1195 0.141,1196 3.741,1197 0.064,1198 6.546,1199 0.324,1200 4.076,1201 0.095,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.937,1208 1.918,1209 2.044,1210 2.068,1211 1.298,1212 2.063,1213 1.917,1214 1.88,1215 2.019,1216 2.022,1217 1.224,1218 2.021,1219 1.711,1220 1.652,1221 1.895,1222 1.902,1223 1.03,1224 1.903,1225 1.648,1226 1.59,1227 1.851,1228 1.845,1229 1.015,1230 1.853,1231 1.355,1232 1.313,1233 1.564,1234 1.633,1235 0.825,1236 1.613,1237 1.266,1238 1.182,1239 1.513,1240 1.541,1241 0.727,1242 1.537,1243 1.153,1244 1.064,1245 1.509,1246 1.376,1247 0.555,1248 1.429,1249 0.999,1250 0.933,1251 1.255,1252 1.306,1253 0.349,1254 1.302,1255 4.174,1257 5.485,1258 2.398,1259 6.989,1260 4.727,1261 8.578,1262 6.823,1263 10.21,1269 11.433,1271 4.415,1273 5.792,1276 4.13,1280 34.331,1281 85.113,1282 201.038,1283 248.341,1284 275.212,1285 287.212,1286 287.212,1287 46.973,1288 7.718,1289 100.61,1290 100.61,1291 23,1292 12.504,1293 4.17,1294 3.322,1295 45.11,1296 138,1297 135,1298 0.157,1299 210.773,1300 358.48,1301 506.047,1302 26753,1304 20.217,1305 0.697,1306 0.567,1307 20.217,1308 16.434,1309 14.135,1310 0.442,1311 0.311,1312 9.804,1313 13.588,1314 9.625,1315 7.925,1316 14.135,1317 9.95,1318 12.479,1319 0.284,1320 0.166,1321 12.479,1322 7.308,1323 10.709,1324 0.185,1325 0.093,1326 10.709,1327 5.405,1328 8.605,1329 0.118,1330 0.051,1331 8.605,1332 3.745,1333 7.018,1334 0.077,1335 0.028,1336 7.018,1337 2.531,1338 0.256,1339 88.544,1340 0.215,1341 28.219,1342 0.406,1343 152,1344 403.719,1345 166.028,1346 391.089,1347 539.06,1348 368,1349 178,1350 398.964,1351 192.695,1352 403.435,1353 589.15,1354 381,1355 8.66} {0 CHEMBL334193,1 1.516,2 17.622,3 3.427,4 11.747,5 144.49,6 7.318,7 0.537,8 4.316,9 4.441,10 3.868,11 3.849,12 5.404,13 3.831,14 4.851,15 5.022,16 4.211,17 4.243,18 5.899,19 4.201,20 5.124,21 5.336,22 4.267,23 4.386,24 6.155,25 4.311,26 5.162,27 5.377,28 4.179,29 4.371,30 6.185,31 4.274,32 5.194,33 5.442,34 4.113,35 4.288,36 6.212,37 4.181,38 5.05,39 5.296,40 3.989,41 4.179,42 6.015,43 4.082,44 4.898,45 5.12,46 3.963,47 4.135,48 5.904,49 4.039,50 4.944,51 5.184,52 3.938,53 4.102,54 5.939,55 3.998,56 0.039,57 1.011,58 14.202,59 5.953,60 10.767,61 7.951,62 0.274,63 1.622,64 26.435,65 9.846,66 27.396,67 13.537,68 0.521,69 1.978,70 37.251,71 13.176,72 56.502,73 18.29,74 0.309,75 1.976,76 38.804,77 14.358,78 60.509,79 19.666,80 0.59,81 1.917,82 42.668,83 14.739,84 84.483,85 20.432,86 0.536,87 1.702,88 36.874,89 12.101,90 61.422,91 16.9,92 0.327,93 1.557,94 29.751,95 10.817,96 40.879,97 15.228,98 0.336,99 1.559,100 32.133,101 11.638,102 51.302,103 16.291,104 12,105 56,106 0.237,107 0.56,108 0.709,109 0.815,110 0.849,111 0.849,112 3.641,113 0.917,114 -3.4,115 -3.38,116 -3.23,119 42.6,121 1,125 6,140 12,141 3,142 3,149 1,150 1,156 2,161 1,162 1,163 1,169 12,171 1,172 5,174 1,176 7,178 12,180 1,181 3,182 6,186 8,189 9,191 1,193 5,197 3,199 4,201 1,202 1,203 10,206 2,207 1,208 2,210 1,211 7,213 1,214 1,215 6,220 1,222 8,224 1,225 1,226 5,228 1,229 1,231 1,233 6,235 1,237 10,240 3,244 2,249 6,259 2807,260 25.524,261 25.524,262 25.524,263 25.524,264 25.524,265 22.722,266 27.929,267 15.231,268 25.947,269 20.206,270 20.206,271 20.206,272 20.206,273 20.206,274 15.886,275 35.369,276 7.157,277 20.865,278 4.571,279 2.501,280 1.544,281 0.864,282 0.647,283 0.647,284 4.35,289 1,290 1432,291 3.937,294 109.64,295 547.912,298 190.735,302 3.004,303 33.177,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 79.5,315 652,316 4.55,317 3.741,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.205,326 3.571,327 6.172,328 3.884,329 2.929,330 3.746,331 1.058,332 9.136,333 2.837,334 4.102,335 3.183,336 6.049,337 3.811,338 2.823,339 3.622,340 0.933,341 8.685,342 2.744,343 3.943,344 3.105,345 5.987,346 3.664,347 2.698,348 3.177,349 0.8,350 8.455,351 2.598,352 3.701,353 2.742,354 5.317,355 3.331,356 2.378,357 3.061,358 0.51,359 6.864,360 2.267,361 3.638,362 2.525,363 5.308,364 3.285,365 2.326,366 2.928,368 6.826,369 2.22,370 3.344,371 2.269,372 5.096,373 2.941,374 1.971,375 2.672,377 5.915,378 1.9,379 3.225,380 2.169,381 4.483,382 2.777,383 1.777,384 2.471,386 4.56,387 1.771,388 2.925,389 2.153,390 4.199,391 2.627,392 1.635,393 1.972,395 3.917,396 1.612,397 2.743,398 1.593,399 4.157,400 2.305,401 1.331,402 1.844,404 3.558,405 1.296,406 2.562,407 1.476,408 4.056,409 2.212,410 1.26,411 1.524,413 3.359,414 1.191,415 2.5,416 1.379,417 3.444,418 2.031,419 1.065,420 1.5,422 2.457,423 1.024,424 2.5,425 1.323,426 3.414,427 2.009,428 1.014,429 1.5,431 2.275,432 1.003,433 2.419,434 1.146,435 3.414,436 2,437 1,438 1.378,440 2.275,441 1,442 2.325,443 1.132,444 3.338,445 2,446 1,447 1.276,449 2.136,450 1,451 17.5,452 0.473,453 0.742,454 0.02,455 48.75,456 1.318,457 24.5,458 0.662,459 24.25,460 0.655,461 30.68,462 0.829,463 39.5,464 0.581,465 39.217,466 1.06,467 9.905,468 0.268,469 8.196,470 0.222,471 0.061,473 0.303,479 0.833,480 1.298,481 0.812,482 1.051,483 0.643,484 0.937,485 0.941,486 1.154,487 0.947,488 1.017,489 0.625,490 0.978,491 1.024,492 0.974,493 1.019,494 0.975,495 0.891,496 0.985,497 1.137,498 1.18,499 1.118,500 1.211,501 1.204,502 1.173,503 1.175,504 0.93,505 0.973,506 0.973,507 1.252,508 0.961,509 1.37,510 0.874,511 1.042,512 0.844,513 1.122,514 0.89,515 0.882,516 1.09,517 1.031,518 1.096,519 0.79,520 1.084,521 0.906,522 1.037,523 0.944,524 1.084,525 0.99,526 1.036,527 6.5,528 0.102,529 4.444,530 1.917,531 1.569,532 1.236,533 0.62,534 0.431,535 0.439,536 0.289,537 26840,538 66562,539 2.133,540 45.6,542 24,543 1,545 4,547 2,550 1.773,551 2.037,552 4.059,553 1.444,559 103.121,560 1.516,561 3.587,562 4.543,563 5.223,564 5.44,565 5.44,566 3.517,567 4.831,568 5.179,569 4.273,570 2845.6,571 9.065,572 51128.1,577 413.947,578 1.241,579 5.159,580 0.159,581 0.003,582 0.079,583 0.034,584 0.031,585 0.027,586 0.015,587 0.011,588 0.011,589 0.008,590 0.377,591 0.17,592 0.75,593 0.716,594 210.863,595 -0.062,596 -0.099,597 0.046,598 -0.01,599 -0.06,600 0.03,601 -0.008,602 -0.022,603 -0.028,604 -0.019,605 0.011,606 -0.023,607 0.01,608 0.069,609 -0.05,610 0.007,611 0.011,612 -0.02,613 -0.103,614 -0.192,615 -0.147,616 -0.208,617 -0.078,618 -0.187,619 0.027,620 -0.013,621 0.055,622 0.006,623 -0.021,624 0.025,625 -0.144,626 0.081,627 -0.015,628 0.119,629 -0.099,630 0.078,631 0.024,632 -0.073,633 -0.069,634 -0.103,635 0.018,636 -0.1,637 0.078,638 -0.081,639 0.047,640 -0.092,641 0.028,642 -0.04,643 1.799,644 5.781,645 0.73,646 55.043,647 1,648 1.125,649 2.165,650 4.688,651 0.666,652 3.738,653 4.043,654 4.317,655 4.543,656 4.754,657 4.796,658 4.927,659 4.997,660 5.063,661 5.17,662 10.101,663 0.634,664 497.65,665 3.738,666 5.273,667 6.12,668 6.984,669 7.844,670 8.711,671 9.576,672 10.445,673 11.313,674 12.183,675 7.4,676 1,681 1,682 2,683 1,687 2,688 13,690 1,693 5,695 22,702 1,709 1,712 1,714 68,716 24,717 3,718 41,720 72,721 29,722 20,723 6,724 12,725 1,730 5,731 6,736 1,743 1,745 22,746 7,750 2,755 2,759 2,764 31,765 7,766 4,767 8,773 5,777 0.8,778 3,788 1,792 1,793 4,796 1,806 1,812 1,819 4,827 37,828 1,833 7,834 1,835 1,838 2,847 4.4,850 2,852 1,854 18.167,855 11.817,856 8.222,857 4.028,858 3.896,859 1.457,860 1.013,861 7.971,862 12.421,863 4.007,864 4.577,865 5.145,866 5.688,867 6.181,868 6.369,869 6.723,870 7.016,871 7.057,872 7.25,873 0.917,874 57,875 13.719,877 5.845,878 7.716,879 26.349,881 21.756,883 2.216,884 82,888 317.82,889 171.672,890 73.942,892 61.29,895 171.672,896 379.109,897 73.942,899 71.688,900 122.762,901 59.699,902 50.611,903 13.915,904 306.049,906 317.82,907 245.614,908 61.29,911 294.278,912 84.832,915 88.473,916 157.141,919 317.82,920 135.232,921 171.672,924 317.82,925 48.91,926 129.011,927 34.796,928 94.187,929 317.82,930 135.232,931 171.672,933 0.574,934 0.339,935 0.181,936 0.098,937 26,938 11,939 0.111,940 8,941 1,942 1.074,943 4.997,944 340.753,945 0.074,946 27,947 180.75,951 25.181,952 11.713,953 6.091,954 2.111,955 118.446,956 24.729,958 3.243,961 4.261,963 67.693,964 624.724,965 54,970 25.137,974 -0.151,975 67.978,976 76.517,977 0.249,978 0.589,979 0.746,980 0.858,981 0.894,982 0.894,983 5.234,984 1.777,985 6.084,986 5.915,987 4.727,988 5.265,989 2.605,990 6.864,991 4.667,992 6.417,993 1.635,994 7.623,995 4.56,996 4.205,997 4.977,998 1.738,999 7.695,1000 4.122,1001 7.708,1002 1.331,1003 9.261,1004 3.917,1005 6.293,1006 7.428,1007 3.414,1008 10.767,1009 6.173,1010 9.035,1011 1.26,1012 10.957,1013 3.558,1014 6.621,1015 8.012,1016 3.296,1017 12.437,1018 6.48,1019 10.395,1020 1.065,1021 12.691,1022 3.359,1023 8.134,1024 9.912,1025 4.588,1026 14.996,1027 7.961,1028 11.778,1029 1.014,1030 14.451,1031 2.457,1032 8.854,1033 10.925,1034 4.854,1035 17.011,1036 8.662,1037 13.18,1038 1,1039 16.229,1040 2.275,1041 10.123,1042 12.591,1043 5.909,1044 19.394,1045 9.905,1046 3.092,1047 1,1048 18.02,1049 2.275,1050 11.034,1051 13.833,1052 6.37,1053 21.563,1054 10.798,1055 2.929,1056 10.36,1057 19.822,1058 2.136,1059 12.198,1060 15.395,1061 7.29,1062 23.885,1063 11.94,1064 2.823,1065 9.136,1066 21.631,1067 4.504,1068 13.202,1069 16.759,1070 7.856,1071 26.126,1072 12.926,1073 2.698,1074 8.685,1075 23.448,1076 3.746,1077 14.322,1078 18.278,1079 8.696,1080 28.432,1081 14.027,1082 2.378,1083 8.455,1084 25.269,1085 3.622,1086 15.373,1087 19.707,1088 9.324,1089 30.708,1090 15.06,1091 2.326,1092 6.864,1093 27.095,1094 3.177,1095 16.476,1096 21.209,1097 10.117,1098 33.014,1099 16.146,1100 1.971,1101 6.826,1102 28.925,1103 3.061,1104 17.551,1105 22.672,1106 10.781,1107 35.31,1108 17.203,1109 24844,1110 39276,1111 28.027,1112 45.29,1113 61.396,1114 62.971,1115 62.292,1116 60.79,1117 60.812,1118 79.127,1119 10.713,1120 170.515,1121 59.007,1122 5.55,1123 5.741,1124 6.348,1125 5.16,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 14.897,1132 1.497,1133 1.536,1134 1.519,1135 1.483,1136 1.483,1137 1.93,1138 0.261,1139 4.159,1140 1.439,1141 4.134,1142 4.166,1143 4.092,1144 4.046,1145 7.43,1146 4.054,1147 3.988,1148 4.028,1149 3.929,1150 3.891,1151 7.426,1152 3.895,1153 3.888,1154 3.923,1155 3.821,1156 3.811,1157 5.037,1158 3.808,1159 3.764,1160 3.811,1161 3.684,1162 3.581,1163 4.957,1164 3.598,1165 3.574,1166 3.634,1167 3.465,1168 3.424,1169 4.774,1170 3.423,1171 3.45,1172 3.509,1173 3.332,1174 3.213,1175 4.709,1176 3.236,1177 3.317,1178 3.369,1179 3.232,1180 3.095,1181 4.562,1182 3.121,1183 3.253,1184 3.298,1185 3.149,1186 3.048,1187 4.273,1188 3.064,1189 0.111,1190 0.091,1191 0.16,1192 0.099,1193 0.075,1194 4.55,1195 0.11,1196 3.741,1197 0.05,1198 6.546,1199 0.253,1200 4.076,1201 0.074,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.939,1208 1.918,1209 2.051,1210 2.074,1211 1.299,1212 2.069,1213 1.934,1214 1.906,1215 2.021,1216 2.025,1217 1.224,1218 2.023,1219 1.882,1220 1.851,1221 2.008,1222 1.989,1223 1.086,1224 1.996,1225 1.71,1226 1.652,1227 1.89,1228 1.889,1229 1.034,1230 1.893,1231 1.648,1232 1.59,1233 1.85,1234 1.845,1235 1.016,1236 1.853,1237 1.358,1238 1.317,1239 1.564,1240 1.635,1241 0.825,1242 1.614,1243 1.269,1244 1.187,1245 1.513,1246 1.544,1247 0.728,1248 1.538,1249 1.187,1250 1.152,1251 1.509,1252 1.442,1253 0.555,1254 1.429,1255 4.419,1257 5.727,1258 2.398,1259 7.229,1260 4.727,1261 8.813,1262 6.823,1263 10.439,1269 5.707,1271 4.115,1272 2.924,1273 5.835,1276 4.089,1280 43.1,1281 103.121,1282 243.91,1283 308.954,1284 355.193,1285 369.947,1286 369.947,1287 66.177,1288 8.525,1289 103.69,1290 103.69,1291 29,1292 12.726,1293 4.644,1294 3.807,1295 57.356,1296 229,1297 207,1298 0.119,1299 262.813,1300 454.55,1301 633.023,1302 79190,1304 25.614,1305 0.692,1306 0.558,1307 25.614,1308 20.652,1309 18.102,1310 0.442,1311 0.306,1312 12.359,1313 17.461,1314 12.136,1315 10.007,1316 18.102,1317 12.526,1318 15.85,1319 0.283,1320 0.162,1321 15.85,1322 9.084,1323 13.699,1324 0.185,1325 0.09,1326 13.699,1327 6.674,1328 11.165,1329 0.12,1330 0.05,1331 11.165,1332 4.608,1333 8.99,1334 0.078,1335 0.027,1336 8.99,1337 3.095,1338 0.198,1339 113.039,1340 0.189,1341 34.941,1342 0.3,1343 194,1344 536.475,1345 211.269,1346 519.047,1347 712.91,1348 488,1349 227,1350 524.009,1351 244.854,1352 529.937,1353 774.27,1354 501,1355 8.828} {0 CHEMBL334259,1 1.383,2 13.258,3 5.316,4 28.255,5 134.677,6 7.06,7 0.457,8 4.193,9 4.328,10 3.735,11 3.785,12 5.14,13 3.727,14 4.767,15 4.959,16 4.117,17 4.214,18 5.639,19 4.131,20 5.044,21 5.274,22 4.135,23 4.397,24 5.835,25 4.248,26 5.118,27 5.371,28 4.081,29 4.401,30 5.898,31 4.208,32 5.077,33 5.357,34 4.04,35 4.318,36 5.817,37 4.135,38 4.923,39 5.15,40 4.009,41 4.272,42 5.728,43 4.125,44 4.986,45 5.237,46 3.885,47 4.253,48 5.755,49 4.076,50 4.938,51 5.222,52 3.726,53 4.126,54 5.642,55 3.919,56 0.072,57 0.898,58 13.716,59 5.639,60 9.644,61 7.979,62 0.235,63 1.556,64 26.747,65 9.539,66 20.418,67 13.94,68 0.235,69 1.93,70 36.82,71 14.229,72 25.186,73 19.779,74 0.251,75 2.035,76 43.514,77 16.494,78 35.098,79 22.119,80 0.283,81 1.919,82 43.189,83 15.955,84 34.309,85 21.358,86 0.194,87 1.708,88 32.982,89 12.786,90 24.739,91 17.667,92 0.23,93 1.772,94 34.879,95 13.345,96 29.108,97 18.735,98 0.235,99 1.631,100 35.218,101 13.477,102 28.091,103 18.594,104 5,105 49,106 0.222,107 0.583,108 0.79,109 0.874,110 0.882,111 0.882,112 3.472,113 1.002,114 -4.87,115 -4.78,116 -4.49,119 42.6,121 4,124 1,125 3,127 1,134 1,135 1,140 8,141 3,142 1,149 1,150 1,157 1,169 14,172 5,174 1,176 5,178 16,182 2,186 5,189 15,193 4,197 4,199 10,203 5,206 1,208 3,211 6,215 5,220 4,222 9,226 3,231 2,233 10,237 3,240 1,242 2,244 10,254 1,256 9,259 1677,260 21.378,261 21.378,262 21.378,263 21.378,264 21.378,265 19.145,266 23.346,267 12.602,268 21.784,269 17.291,270 17.291,271 17.291,272 17.291,273 17.291,274 13.91,275 27.759,276 6.007,277 17.973,278 4.548,279 2.3,280 1.008,281 0.484,282 0.439,283 0.439,284 4.183,289 1,290 917,291 3.082,294 163.527,295 298.805,298 134.545,302 2.202,303 12.776,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 411,316 4.572,317 3.894,318 6.578,319 4.123,320 3.135,321 4.516,322 1.807,323 10.485,324 3.098,325 4.147,326 3.239,327 6.146,328 3.839,329 2.89,330 3.564,331 0.8,332 9.043,333 2.782,334 4.008,335 3.047,336 6.041,337 3.731,338 2.796,339 3.484,340 0.733,341 8.65,342 2.623,343 3.82,344 2.902,345 5.991,346 3.617,347 2.657,348 3.022,349 0.167,350 8.492,351 2.522,352 3.738,353 2.567,354 5.32,355 3.362,356 2.402,357 2.886,359 6.872,360 2.284,361 3.342,362 2.371,363 5.111,364 2.944,365 1.963,366 2.611,368 5.924,369 1.922,370 3.113,371 2.121,372 4.495,373 2.641,374 1.684,375 2.301,377 4.538,378 1.606,379 2.891,380 1.618,381 4.21,382 2.438,383 1.458,384 2.041,386 3.696,387 1.427,388 2.707,389 1.529,390 4.04,391 2.311,392 1.337,393 1.783,395 3.429,396 1.3,397 2.5,398 1.454,399 3.947,400 2.142,401 1.19,402 1.5,404 3.063,405 1.129,406 2.488,407 1.391,408 3.53,409 2.082,410 1.114,411 1.405,413 2.723,414 1.075,415 2.334,416 1.233,417 3.417,418 2,419 1.048,420 1.3,422 2.382,423 1,424 2.137,425 1.14,426 3.414,427 1.99,428 1,429 1.12,431 2.275,432 0.983,433 2.079,434 1,435 3.253,436 1.984,437 1,438 1.039,440 2.136,441 0.975,442 2.018,443 0.747,444 3.247,445 1.615,446 0.655,447 0.889,449 1.602,450 0.627,451 15.433,452 0.498,453 0.674,454 0.022,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 29.474,462 0.951,463 32.567,464 0.534,465 26.051,466 0.84,467 7.088,468 0.229,469 8.082,470 0.261,471 0.086,473 0.311,479 1.084,480 1.256,481 0.753,482 0.929,483 0.792,484 0.945,485 1.269,486 1.085,487 0.827,488 0.903,489 0.682,490 0.938,491 1.142,492 1.043,493 0.985,494 0.996,495 0.894,496 1.057,497 0.996,498 1.081,499 1.153,500 1.129,501 1.187,502 1.095,503 0.85,504 0.859,505 0.996,506 0.922,507 1.033,508 0.833,509 1.04,510 1.128,511 1.017,512 1.068,513 0.987,514 1.081,515 1.151,516 1.076,517 1.024,518 1.051,519 1.066,520 1.137,521 0.808,522 0.949,523 0.947,524 0.981,525 0.932,526 1.002,527 5.5,528 0.096,529 3.778,530 1.736,531 1.217,532 1.056,533 0.566,534 0.299,535 0.341,536 0.192,537 15099,538 30944,539 2.18,540 49.2,542 19,543 1,545 2,547 8,550 1.733,551 2.09,552 3.677,553 0.129,559 84.357,560 1.383,561 3.631,562 4.922,563 5.447,564 5.492,565 5.492,566 3.155,567 4.543,568 4.923,569 3.878,570 1803.32,571 8.578,572 26473,577 361.775,578 1.215,579 4.907,580 0.157,581 0.004,582 0.077,583 0.037,584 0.03,585 0.025,586 0.013,587 0.009,588 0.012,589 0.007,590 0.371,591 0.17,592 0.88,593 0.415,594 163.44,595 0.02,596 -0.124,597 0.049,598 -0.013,599 0.028,600 0.023,601 0.022,602 0.014,603 0.024,604 -0.004,605 0.126,606 0.009,607 -0.129,608 -0.025,609 -0.069,610 -0.043,611 -0.019,612 -0.081,613 -0.069,614 -0.092,615 -0.079,616 -0.086,617 -0.078,618 -0.096,619 0.097,620 0.105,621 0.108,622 0.128,623 0.054,624 0.168,625 -0.069,626 -0.115,627 -0.081,628 -0.098,629 -0.071,630 -0.099,631 -0.153,632 -0.09,633 -0.136,634 -0.122,635 -0.144,636 -0.167,637 0.061,638 -0.017,639 0.009,640 -0.011,641 0.008,642 -0.013,643 0.87,644 1.968,645 0.839,646 36.37,647 0.983,648 1.12,649 3.645,650 13.286,651 0.681,652 3.584,653 3.912,654 4.205,655 4.454,656 4.644,657 4.754,658 4.942,659 5.081,660 5.193,661 5.333,662 7.803,663 0.625,664 430.67,665 3.584,666 5.13,667 5.989,668 6.864,669 7.736,670 8.616,671 9.493,672 10.377,673 11.258,674 12.144,675 6.6,678 1,682 2,683 1,687 2,688 9,690 1,693 3,695 16,714 61,716 18,717 2,718 35,720 65,721 26,722 14,723 4,724 8,725 2,730 5,731 6,735 1,740 4,743 5,745 17,746 9,750 2,756 1,757 1,759 2,764 30,765 3,766 2,767 5,768 1,773 4,777 0.8,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 1,827 31,833 7,834 1,837 1,838 2,854 14.833,855 10.983,856 6.722,857 3.839,858 3.296,859 1.4,860 1.024,861 6.124,862 11.527,863 3.829,864 4.404,865 4.972,866 5.533,867 6.03,868 6.35,869 6.794,870 7.175,871 7.341,872 7.666,873 0.889,874 47,875 11.479,877 4.866,878 7.376,879 22.983,881 19.652,883 1.876,884 58.167,888 329.591,889 181.692,890 41.045,894 45.192,895 136.5,896 329.591,897 41.045,898 8.396,899 37.59,900 94.334,902 34.796,903 14.2,904 317.82,905 45.192,906 329.591,907 177.545,909 45.192,911 235.422,912 94.169,915 57.5,916 110.569,917 9.476,918 45.192,919 329.591,920 41.045,921 181.692,924 329.591,925 33.77,926 108.979,927 34.796,928 45.192,929 329.591,930 41.045,931 181.692,933 0.583,934 0.344,935 0.182,936 0.092,937 25,938 10,939 0.062,940 4,941 1,942 1.077,943 4.408,944 282.154,945 0.077,946 26,947 149.58,949 1,951 20.743,952 9.152,953 4.568,954 2.619,955 24.259,956 19.25,958 3.481,961 3.831,963 34.796,964 552.328,965 45,971 5.635,972 2.334,974 2.219,975 59.97,976 68.311,977 0.233,978 0.612,979 0.83,980 0.918,981 0.926,982 0.926,983 5.075,984 1.458,985 5.964,986 4.538,987 4.595,988 5.091,989 2.15,990 6.763,991 4.523,992 6.26,993 1.337,994 7.514,995 3.696,996 4.111,997 4.82,998 1.494,999 7.618,1000 3.977,1001 7.556,1002 1.19,1003 9.163,1004 3.429,1005 6.18,1006 7.247,1007 2.8,1008 10.709,1009 6.041,1010 8.887,1011 1.114,1012 10.87,1013 3.063,1014 6.553,1015 7.868,1016 2.741,1017 12.404,1018 6.358,1019 10.253,1020 1.048,1021 12.615,1022 2.723,1023 8.048,1024 9.749,1025 3.769,1026 14.979,1027 7.849,1028 11.643,1029 1,1030 14.386,1031 2.382,1032 8.807,1033 10.805,1034 4,1035 17.014,1036 8.566,1037 13.051,1038 1,1039 16.174,1040 2.275,1041 10.068,1042 12.461,1043 4.853,1044 19.412,1045 9.82,1046 3.135,1047 0.655,1048 17.975,1049 2.136,1050 11.007,1051 13.742,1052 5.239,1053 21.597,1054 10.73,1055 2.89,1056 10.485,1057 19.786,1058 1.602,1059 12.171,1060 15.303,1061 5.985,1062 23.935,1063 11.885,1064 2.796,1065 9.043,1066 21.604,1067 4.516,1068 13.196,1069 16.698,1070 6.458,1071 26.191,1072 12.891,1073 2.657,1074 8.65,1075 23.428,1076 3.564,1077 14.322,1078 18.22,1079 7.14,1080 28.513,1081 14.008,1082 2.402,1083 8.492,1084 25.257,1085 3.484,1086 15.39,1087 19.671,1088 7.662,1089 30.804,1090 15.062,1091 1.963,1092 6.872,1093 27.09,1094 3.022,1095 16.503,1096 21.18,1097 8.307,1098 33.125,1099 16.168,1100 1.684,1101 5.924,1102 28.927,1103 2.886,1104 17.593,1105 22.659,1106 8.858,1107 35.436,1108 17.249,1109 13861,1110 19994,1111 24.156,1112 41.569,1113 53.215,1114 54.233,1115 53.481,1116 52.754,1117 52.66,1118 66.919,1119 7.014,1120 150.621,1121 50.707,1122 5.513,1123 5.894,1124 6.38,1125 5.159,1126 5.135,1127 7.516,1128 3.186,1129 17.275,1130 5.098,1131 10.546,1132 1.52,1133 1.55,1134 1.528,1135 1.507,1136 1.505,1137 1.912,1138 0.2,1139 4.303,1140 1.449,1141 4.153,1142 4.186,1143 4.113,1144 4.078,1145 4.972,1146 4.081,1147 3.917,1148 3.958,1149 3.979,1150 3.837,1151 4.884,1152 3.83,1153 3.863,1154 3.924,1155 3.772,1156 3.739,1157 4.678,1158 3.735,1159 3.803,1160 3.855,1161 3.728,1162 3.672,1163 4.441,1164 3.67,1165 3.439,1166 3.487,1167 3.607,1168 3.36,1169 4.367,1170 3.324,1171 3.249,1172 3.303,1173 3.242,1174 3.187,1175 4.104,1176 3.133,1177 3.136,1178 3.249,1179 2.958,1180 2.926,1181 3.786,1182 2.915,1183 3.101,1184 3.187,1185 2.874,1186 2.899,1187 3.775,1188 2.877,1189 0.131,1190 0.111,1191 0.188,1192 0.118,1193 0.09,1194 4.572,1195 0.129,1196 3.894,1197 0.052,1198 6.578,1199 0.3,1200 4.123,1201 0.089,1202 3.135,1203 4.516,1204 1.807,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.089,1210 2.075,1211 1.346,1212 2.083,1213 1.889,1214 1.857,1215 2.009,1216 1.987,1217 1.287,1218 1.998,1219 1.759,1220 1.714,1221 1.932,1222 1.899,1223 1.144,1224 1.913,1225 1.685,1226 1.629,1227 1.867,1228 1.868,1229 1.067,1230 1.87,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.05,1236 1.795,1237 1.408,1238 1.336,1239 1.627,1240 1.63,1241 0.749,1242 1.636,1243 1.248,1244 1.218,1245 1.434,1246 1.409,1247 0.695,1248 1.425,1249 1.089,1250 1.007,1251 1.4,1252 1.308,1253 0.516,1254 1.356,1255 4.263,1257 5.587,1258 3.045,1259 7.099,1260 5.352,1261 8.691,1262 7.38,1263 10.324,1265 2.258,1271 7.774,1272 3.352,1275 0.67,1276 4.745,1280 38.121,1281 84.357,1282 221.497,1283 300.265,1284 332.265,1285 335.02,1286 335.02,1287 38.44,1288 8.231,1289 34.3,1290 66.39,1291 28,1292 12.677,1293 4.248,1294 3.459,1295 43.872,1296 145,1297 146,1298 0.145,1299 235.166,1300 402.61,1301 565.565,1302 49201,1304 21.209,1305 0.684,1306 0.61,1307 21.709,1308 18.92,1309 15.17,1310 0.433,1311 0.334,1312 11.217,1313 14.593,1314 10.893,1315 9.005,1316 15.459,1317 11.687,1318 13.63,1319 0.278,1320 0.187,1321 14.001,1322 9.163,1323 11.965,1324 0.181,1325 0.108,1326 12.318,1327 7.147,1328 9.889,1329 0.116,1330 0.061,1331 10.222,1332 5.162,1333 7.618,1334 0.074,1335 0.033,1336 7.832,1337 3.356,1338 0.234,1339 96.003,1340 0.203,1341 29.601,1342 0.383,1343 168,1344 352.816,1345 190.25,1346 379.249,1347 532.8,1348 358,1349 199,1350 391.526,1351 218.181,1352 412.209,1353 603.18,1354 389,1355 9.167} {0 CHEMBL334323,1 1.632,2 14.613,3 2.537,4 6.437,5 118.559,6 7.563,7 0.471,8 4.138,9 4.261,10 3.711,11 3.618,12 5.277,13 3.616,14 4.681,15 4.852,16 4.057,17 4.022,18 5.849,19 3.999,20 4.943,21 5.153,22 4.109,23 4.175,24 6.01,25 4.116,26 4.997,27 5.205,28 4.005,29 4.174,30 6.062,31 4.084,32 5.022,33 5.275,34 3.882,35 4.053,36 6.025,37 3.942,38 4.842,39 5.1,40 3.76,41 3.883,42 5.801,43 3.792,44 4.648,45 4.861,46 3.775,47 3.816,48 5.737,49 3.761,50 4.729,51 4.943,52 3.756,53 3.787,54 5.918,55 3.733,56 0.174,57 0.856,58 11.451,59 4.717,60 14.024,61 6.333,62 0.42,63 1.344,64 22.021,65 7.81,66 53.094,67 10.804,68 0.616,69 1.603,70 30.768,71 10.425,72 55.975,73 14.636,74 0.485,75 1.599,76 32.621,77 11.753,78 71.94,79 16.093,80 0.726,81 1.497,82 36.6,83 11.794,84 87.685,85 16.849,86 0.698,87 1.281,88 30.811,89 8.971,90 59.096,91 13.276,92 0.376,93 1.145,94 23.086,95 7.6,96 41.998,97 10.737,98 0.585,99 1.13,100 26.43,101 8.229,102 82.151,103 11.101,104 22,105 47,106 0.266,107 0.6,108 0.724,109 0.802,110 0.837,111 0.837,112 3.471,113 0.904,114 -2.94,115 -2.94,116 -2.84,119 39.3,121 1,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 1,162 1,163 1,164 2,169 6,171 2,172 6,176 4,178 6,180 1,181 3,182 10,186 4,189 6,191 1,193 5,197 1,199 2,201 1,202 2,203 7,206 1,207 1,208 1,210 1,211 1,213 1,214 3,215 6,220 1,224 1,226 4,228 1,229 1,231 1,235 1,236 1,237 8,240 2,248 2,249 4,259 1706,260 21.093,261 21.093,262 21.093,263 21.093,264 21.093,265 18.83,266 25.363,267 12.416,268 21.54,269 16.713,270 16.713,271 16.713,272 16.713,273 16.713,274 13.202,275 29.82,276 5.768,277 17.41,278 4.175,279 2.131,280 1.373,281 0.893,282 0.679,283 0.679,284 4.168,288 1,289 1,290 980,291 3.742,294 86.019,295 319.64,298 149.625,302 2.36,303 35.932,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.5,315 453,316 4.55,317 3.778,318 6.546,319 4.076,320 3.092,321 4.504,322 2.612,323 10.36,324 3.043,325 4.278,326 3.741,327 6.179,328 3.884,329 2.935,330 3.962,331 2.055,332 9.152,333 2.79,334 4.017,335 3.183,336 5.998,337 3.726,338 2.764,339 3.366,340 0.933,341 8.483,342 2.651,343 3.891,344 3.096,345 5.881,346 3.543,347 2.591,348 3.171,349 0.8,350 8.048,351 2.46,352 3.692,353 2.741,354 5.315,355 3.303,356 2.358,357 3.044,358 0.51,359 6.854,360 2.227,361 3.344,362 2.34,363 5.096,364 2.942,365 1.972,366 2.672,368 5.915,369 1.902,370 3.161,371 2.158,372 4.516,373 2.749,374 1.767,375 2.303,377 4.625,378 1.726,379 2.817,380 2.071,381 4.172,382 2.361,383 1.396,384 1.863,386 3.644,387 1.34,388 2.739,389 1.484,390 4.099,391 2.298,392 1.316,393 1.811,395 3.436,396 1.291,397 2.5,398 1.474,399 3.716,400 2.05,401 1.091,402 1.5,404 2.695,405 1.042,406 2.395,407 1.379,408 3.414,409 2.003,410 1.041,411 1.356,413 2.275,414 1,415 2.322,416 1.146,417 3.414,418 2,419 1,420 1.27,422 2.275,423 0.998,424 2.003,425 1.132,426 3.338,427 1.967,428 1,429 1,431 2.112,432 0.965,433 2,434 1,435 3.098,436 1.644,437 0.691,438 0.883,440 1.439,441 0.653,442 1.719,443 1,444 2.985,445 1.343,446 0.409,447 0.501,449 0.917,450 0.375,451 14.333,452 0.462,453 0.712,454 0.023,455 40.25,456 1.298,457 19.5,458 0.629,459 20.75,460 0.669,461 24.731,462 0.798,463 34.267,464 0.612,465 31.325,466 1.01,467 8.132,468 0.262,469 6.914,470 0.223,471 0.098,473 0.328,479 0.626,480 1.351,481 0.76,482 1.097,483 0.556,484 0.971,485 0.819,486 1.166,487 0.893,488 1.015,489 0.472,490 0.961,491 0.847,492 0.95,493 0.972,494 0.98,495 0.631,496 0.986,497 1.006,498 1.199,499 1.131,500 1.282,501 1.01,502 1.248,503 0.931,504 0.954,505 0.962,506 1.034,507 0.902,508 1.025,509 0.991,510 0.859,511 0.945,512 0.827,513 0.676,514 0.87,515 0.967,516 1.139,517 0.988,518 1.133,519 0.847,520 1.068,521 1.36,522 0.989,523 1.09,524 1.06,525 1.601,526 1.04,527 6,528 0.123,529 4.222,530 1.729,531 1.258,532 1.091,533 0.662,534 0.383,535 0.32,536 0.254,537 15109,538 44147,539 2.084,540 44.6,542 19,543 1,545 3,547 2,550 1.729,551 1.958,552 3.802,553 0.908,555 1,559 91.398,560 1.632,561 3.677,562 4.435,563 4.914,564 5.129,565 5.129,566 3.268,567 4.389,568 4.924,569 3.999,570 1859.37,571 8.562,572 28270.9,574 1,576 1,577 325.212,578 1.383,579 4.888,580 0.176,581 0.005,582 0.09,583 0.036,584 0.031,585 0.031,586 0.021,587 0.012,588 0.01,589 0.01,590 0.421,591 0.33,592 1,593 0.956,594 165.576,595 0.082,596 -0.084,597 0.055,598 -0.006,599 -0.018,600 0.012,601 0.013,602 -0.012,603 -0.004,604 0.017,605 0.131,606 0.012,608 0.107,609 -0.037,610 0.028,611 0.038,612 0.002,613 -0.116,614 -0.209,615 -0.191,616 -0.243,617 -0.09,618 -0.235,619 0.03,620 -0.069,621 0.049,622 -0.045,623 -0.036,624 -0.011,625 -0.008,626 0.06,627 0.076,628 0.124,629 -0.002,630 0.116,631 -0.051,632 -0.118,633 -0.033,634 -0.135,635 -0.006,636 -0.083,637 -0.114,638 -0.056,639 -0.07,640 -0.087,641 -0.162,642 -0.078,643 2.41,644 5.602,645 0.677,646 36.618,647 1.012,648 1.134,649 1.71,650 2.926,651 0.651,652 3.555,653 3.871,654 4.143,655 4.357,656 4.564,657 4.654,658 4.771,659 4.771,660 4.804,661 4.942,662 8.415,663 0.629,664 423.52,665 3.555,666 5.094,667 5.943,668 6.81,669 7.675,670 8.546,671 9.415,672 10.288,673 11.16,674 12.034,675 8.9,676 1,681 1,682 1,683 1,686 1,687 2,688 8,690 1,693 4,695 16,708 1,709 1,712 1,714 56,716 19,717 2,718 34,720 59,721 22,722 14,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 7,750 3,752 1,755 3,759 1,761 1,764 25,765 7,766 3,767 9,773 5,777 0.75,778 4,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 31,828 1,833 7,835 1,838 2,847 7.1,850 1,852 1,853 2,854 15.833,855 9.767,856 6.889,857 3.304,858 3.105,859 1.394,860 0.99,861 6.633,862 10.995,863 3.829,864 4.416,865 4.969,866 5.506,867 5.993,868 6.281,869 6.62,870 6.815,871 6.76,872 6.936,873 0.9,874 48,875 11.478,877 4.913,878 7.925,879 21.717,881 17.87,883 2.425,884 75.167,887 1,888 258.964,889 116.401,890 61.601,892 86.892,895 116.401,896 345.856,897 61.601,898 5.67,899 53.677,900 75.381,901 29.85,902 47.425,903 13.915,904 247.193,905 50.747,906 258.964,907 178.002,908 86.892,911 235.422,912 59.687,913 50.747,915 70.462,916 101.87,917 5.67,919 258.964,920 148.493,921 116.401,924 258.964,925 41.02,926 87.3,927 16.786,928 119.789,929 258.964,930 148.493,931 116.401,933 0.579,934 0.341,935 0.176,936 0.095,937 22,938 10,939 0.119,940 7,941 1,942 1.095,943 4.367,944 267.918,945 0.095,946 21,947 143.58,951 21.465,952 9.579,953 4.942,954 2.08,955 126.038,956 14.183,958 3.219,961 2.782,963 49.683,964 523.858,965 45,967 -0.41,970 34.195,974 -0.056,975 56.654,976 63.481,977 0.281,978 0.633,979 0.764,980 0.846,981 0.883,982 0.883,983 5.063,984 1.396,985 5.922,986 4.625,987 4.554,988 5.103,989 3.113,990 6.715,991 4.477,992 6.26,993 1.316,994 7.475,995 3.644,996 4.111,997 4.966,998 2.727,999 7.594,1000 4.001,1001 7.566,1002 1.091,1003 9.126,1004 3.436,1005 6.138,1006 7.308,1007 4.506,1008 10.65,1009 5.985,1010 8.909,1011 1.041,1012 10.835,1013 2.695,1014 6.524,1015 8.026,1016 4.759,1017 12.348,1018 6.34,1019 10.285,1020 1,1021 12.579,1022 2.275,1023 8,1024 9.847,1025 6.168,1026 14.901,1027 7.782,1028 11.683,1029 1,1030 14.348,1031 2.275,1032 8.757,1033 10.955,1034 6.722,1035 16.934,1036 8.512,1037 13.097,1038 0.691,1039 16.133,1040 2.112,1041 10.009,1042 12.575,1043 7.934,1044 19.315,1045 9.734,1046 3.092,1047 0.409,1048 17.93,1049 1.439,1050 10.942,1051 13.875,1052 8.655,1053 21.497,1054 10.644,1055 2.935,1056 10.36,1057 19.737,1058 0.917,1059 12.099,1060 15.414,1061 9.758,1062 23.821,1063 11.776,1064 2.764,1065 9.152,1066 21.551,1067 4.504,1068 13.116,1069 16.809,1070 10.577,1071 26.071,1072 12.772,1073 2.591,1074 8.483,1075 23.371,1076 3.962,1077 14.234,1078 18.316,1079 11.618,1080 28.381,1081 13.869,1082 2.358,1083 8.048,1084 25.196,1085 3.366,1086 15.293,1087 19.759,1088 12.495,1089 30.664,1090 14.909,1091 1.972,1092 6.854,1093 27.026,1094 3.171,1095 16.398,1096 21.255,1097 13.502,1098 32.973,1099 15.996,1100 1.767,1101 5.915,1102 28.859,1103 3.044,1104 17.478,1105 22.723,1106 14.413,1107 35.275,1108 17.059,1109 14330,1110 24675,1111 22.77,1112 36.461,1113 51.15,1114 52.996,1115 52.595,1116 50.84,1117 50.848,1118 66.411,1119 13.821,1120 144.459,1121 48.927,1122 5.55,1123 5.778,1124 6.313,1125 5.16,1126 5.092,1127 7.504,1128 4.612,1129 17.015,1130 5.043,1131 15.484,1132 1.504,1133 1.559,1134 1.547,1135 1.495,1136 1.496,1137 1.953,1138 0.407,1139 4.249,1140 1.439,1141 4.133,1142 4.165,1143 4.091,1144 4.045,1145 7.815,1146 4.052,1147 4.007,1148 4.043,1149 3.962,1150 3.873,1151 7.427,1152 3.884,1153 3.809,1154 3.862,1155 3.733,1156 3.587,1157 6.999,1158 3.609,1159 3.584,1160 3.637,1161 3.51,1162 3.424,1163 5.037,1164 3.425,1165 3.502,1166 3.548,1167 3.419,1168 3.218,1169 4.957,1170 3.252,1171 3.394,1172 3.443,1173 3.271,1174 3.082,1175 4.71,1176 3.121,1177 3.26,1178 3.316,1179 3.148,1180 2.982,1181 4.561,1182 3.04,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.247,1188 2.91,1189 0.134,1190 0.111,1191 0.193,1192 0.12,1193 0.091,1194 4.55,1195 0.132,1196 3.778,1197 0.077,1198 6.546,1199 0.305,1200 4.076,1201 0.089,1202 3.092,1203 4.504,1204 2.612,1205 10.36,1206 3.043,1207 1.939,1208 1.918,1209 2.048,1210 2.107,1211 1.299,1212 2.082,1213 1.931,1214 1.901,1215 2.019,1216 2.028,1217 1.224,1218 2.023,1219 1.721,1220 1.662,1221 1.899,1222 1.965,1223 1.048,1224 1.937,1225 1.648,1226 1.59,1227 1.851,1228 1.846,1229 1.016,1230 1.853,1231 1.363,1232 1.324,1233 1.565,1234 1.684,1235 0.825,1236 1.628,1237 1.27,1238 1.188,1239 1.513,1240 1.588,1241 0.728,1242 1.553,1243 1.154,1244 1.121,1245 1.509,1246 1.518,1247 0.555,1248 1.486,1249 1.153,1250 1.064,1251 1.247,1252 1.376,1253 0.359,1254 1.429,1255 4.234,1257 5.549,1258 2.398,1259 7.057,1260 4.727,1261 8.648,1262 6.823,1263 10.281,1269 5.67,1271 3.833,1273 5.765,1276 3.906,1280 35.234,1281 91.398,1282 205.893,1283 248.341,1284 275.212,1285 287.212,1286 287.212,1287 60.973,1288 7.89,1289 120.41,1290 120.41,1291 23,1292 12.575,1293 4.322,1294 3.585,1295 49.903,1296 158,1297 146,1298 0.151,1299 215.838,1300 373.42,1301 518.405,1302 33437,1304 21.794,1305 0.703,1306 0.552,1307 21.794,1308 17.121,1309 15.046,1310 0.443,1311 0.301,1312 10.07,1313 14.287,1314 9.918,1315 8.148,1316 15.046,1317 10.25,1318 13.377,1319 0.285,1320 0.159,1321 13.377,1322 7.49,1323 11.407,1324 0.184,1325 0.09,1326 11.407,1327 5.573,1328 9.131,1329 0.119,1330 0.05,1331 9.131,1332 3.845,1333 7.222,1334 0.076,1335 0.027,1336 7.222,1337 2.569,1338 0.248,1339 95.618,1340 0.21,1341 29.917,1342 0.388,1343 162,1344 517.523,1345 181.178,1346 490.635,1347 657.56,1348 456,1349 190,1350 481.484,1351 209.681,1352 477.535,1353 693.43,1354 449,1355 9.229} {0 CHEMBL334923,1 1.627,2 8.053,3 3.443,4 11.854,5 80.085,6 7.65,7 0.476,8 3.693,9 3.811,10 3.361,11 3.254,12 4.732,13 3.195,14 4.229,15 4.426,16 3.706,17 3.641,18 5.132,19 3.569,20 4.312,21 4.497,22 3.724,23 3.677,24 5.258,25 3.574,26 4.418,27 4.67,28 3.618,29 3.61,30 5.295,31 3.477,32 4.215,33 4.423,34 3.366,35 3.419,36 5.153,37 3.303,38 4.043,39 4.263,40 3.015,41 3.28,42 4.902,43 3.122,44 3.96,45 4.194,46 2.981,47 3.209,48 4.707,49 3.048,50 3.905,51 4.137,52 3.037,53 3.223,54 4.679,55 3.047,56 0.061,57 0.555,58 8.172,59 3.485,60 8.287,61 4.471,62 0.165,63 0.898,64 17.057,65 5.673,66 11.768,67 7.239,68 0.225,69 0.961,70 18.17,71 6.148,72 16.148,73 8.164,74 0.269,75 0.958,76 24.446,77 7.754,78 21.579,79 9.727,80 0.211,81 0.753,82 18.402,83 6.092,84 22.254,85 7.238,86 0.185,87 0.687,88 15.805,89 4.872,90 17.321,91 6.089,92 0.156,93 0.619,94 14.387,95 4.826,96 10.411,97 6.34,98 0.041,99 0.61,100 11.646,101 4.65,102 7.68,103 6.303,104 15,105 30,106 0.298,107 0.641,108 0.803,109 0.813,110 0.813,111 0.813,112 3.011,113 1.025,114 -2.87,115 -2.88,116 -2.78,119 38.9,120 1,124 2,125 2,140 2,141 1,142 1,149 2,150 2,155 1,164 1,169 2,172 3,178 1,181 2,182 4,189 1,192 2,193 4,199 3,203 3,211 3,215 1,225 1,226 2,237 2,249 1,259 447,260 12.828,261 12.828,262 12.828,263 12.828,264 12.828,265 11.436,266 15.143,267 7.592,268 13.315,269 10.376,270 10.376,271 10.376,272 10.376,273 10.376,274 8.259,275 16.898,276 3.59,277 11.153,278 3.543,279 1.67,280 0.785,281 0.73,282 0.73,283 0.73,284 3.686,287 1,288 1,289 1,290 330,291 3.162,294 99.556,297 109.497,300 75.657,302 1.114,303 8.279,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 40.5,315 153,316 4.754,317 4.015,318 7.147,319 4.35,320 3.405,321 4.485,322 2.373,323 12.501,324 3.212,325 3.914,326 3.425,327 6.009,328 3.467,329 2.499,330 3.492,331 0.8,332 8.295,333 2.42,334 3.643,335 2.601,336 5.713,337 3.178,338 2.261,339 2.968,341 7.374,342 2.069,343 3.227,344 2.55,345 4.663,346 3.111,347 2.195,348 2.23,350 5.182,351 2.005,352 2.848,353 2.245,354 4.646,355 2.463,356 1.523,357 1.945,359 4.338,360 1.424,361 2.704,362 1.643,363 3.918,364 2.32,365 1.397,366 1.764,368 3.223,369 1.274,370 2.492,371 1.317,372 3.642,373 2.085,374 1.16,375 1.483,377 2.636,378 1.059,379 2.183,380 1.17,381 3.408,382 1.655,383 0.754,384 1.048,386 1.798,387 0.667,388 2.066,389 0.768,390 3.278,391 1.544,392 0.633,393 0.88,395 1.633,396 0.568,397 1.229,398 0.601,399 2.636,400 1.098,401 0.132,402 0.144,404 0.304,405 0.127,406 0.733,407 -0.087,408 2.317,409 0.374,410 -0.525,411 -0.616,413 -1.267,414 -0.46,415 0.329,416 -0.219,417 2.191,418 0.042,419 -0.874,420 -0.965,422 -2,423 -0.781,424 0.065,425 -0.6,426 2,427 -0.1,428 -1,429 -1,431 -2.105,432 -0.9,434 -0.817,435 1.833,436 -0.285,437 -1.254,438 -1.533,440 -3.084,441 -1.208,442 -0.029,443 -1.309,444 1.511,445 -0.4,446 -1.347,447 -1.656,449 -3.758,450 -1.282,451 9.367,452 0.493,453 0.49,454 0.026,455 22.25,456 1.171,457 9.5,458 0.5,459 12.75,460 0.671,461 15.412,462 0.811,463 20.633,464 0.573,465 13.396,466 0.705,467 4.446,468 0.234,469 4.735,470 0.249,471 0.16,473 0.352,479 0.715,480 1.37,481 0.743,482 1.01,483 0.741,484 0.987,485 1.342,486 0.894,487 0.85,488 0.688,489 0.909,490 0.657,491 1.066,492 1.137,493 0.907,494 1.016,495 1.197,496 1.042,497 0.949,498 0.872,499 0.948,500 0.977,501 0.839,502 0.823,503 2.029,504 1.008,505 1.129,506 0.994,507 1.745,508 0.972,509 1.655,510 1.046,511 1.482,512 1.182,513 1.956,514 1.222,515 0.967,516 1.035,517 1.108,518 1.116,519 0.964,520 1.108,521 0.436,522 1.301,523 0.851,524 1.105,525 0.468,526 1.215,527 3,529 2.222,530 1.694,531 0.9,532 0.421,533 0.207,534 0.216,535 0.204,536 0.139,537 3169,538 7473,539 2.081,540 47.2,541 3,542 12,543 2,550 1.602,551 1.932,552 2.943,553 -0.724,555 1,557 1,559 58.573,560 1.627,561 3.5,562 4.385,563 4.44,564 4.44,565 4.44,566 2.42,567 3.932,568 4.211,569 3.129,570 535.029,571 7.177,572 5217.46,573 1,574 1,575 1,576 1,577 186.117,578 1.462,579 4.171,580 0.143,582 0.074,583 0.063,584 0.038,585 0.022,586 0.016,587 0.017,588 0.016,589 0.015,590 0.403,591 0.67,592 1,593 1.762,594 81.948,595 0.214,596 -0.217,597 0.102,598 -0.038,599 0.124,600 -0.029,601 -0.184,602 0.212,603 0.121,604 0.277,605 -0.005,606 0.278,607 0.069,608 -0.067,609 0.027,610 -0.058,611 -0.096,612 -0.102,613 0.194,614 0.093,615 0.153,616 0.052,617 0.337,618 0.154,619 -0.277,620 -0.07,621 -0.091,622 -0.004,623 -0.124,624 -0.032,625 -0.412,626 0.012,627 -0.425,628 -0.188,629 -0.639,630 -0.295,631 -0.039,632 -0.076,633 -0.134,634 -0.126,635 -0.161,636 -0.124,637 0.042,638 -0.331,639 -0.01,640 -0.168,641 0.056,642 -0.219,643 0.892,644 1.96,645 0.579,646 13.873,647 0.997,648 1.126,649 1.64,650 2.691,651 0.679,652 3.091,653 3.434,654 3.761,655 4.127,656 4.277,657 4.443,658 4.554,659 4.454,660 4.394,661 4.304,662 4.902,663 0.629,664 275.41,665 3.091,666 4.635,667 5.509,668 6.422,669 7.331,670 8.259,671 9.184,672 10.119,673 11.053,674 11.993,675 8.3,678 1,683 1,684 1,688 4,692 1,693 4,694 1,695 10,699 1,714 36,716 11,718 21,720 38,721 14,722 8,725 1,730 3,731 6,736 1,745 9,746 5,750 1,758 1,759 1,760 1,761 1,764 17,765 3,767 5,768 1,773 3,777 0.333,778 1,788 1,792 3,795 2,798 1,815 1,819 1,821 1,823 3,827 19,833 2,835 1,838 1,842 1,847 2.8,852 1,854 9.833,855 7.517,856 4.167,857 2.069,858 2.355,859 1.351,860 0.985,861 3.456,862 9.068,863 3.332,864 3.942,865 4.593,866 5.269,867 5.647,868 6.118,869 6.489,870 6.669,871 6.85,872 6.964,873 1,874 27,875 6.997,877 2.885,878 7.482,879 13.72,881 11.169,883 1.982,884 37.667,885 0.002,888 200.109,889 112.057,890 24.423,892 11.219,894 31.278,895 80.779,896 211.327,897 24.423,898 25.618,899 6.698,900 35.649,901 2.757,902 41.584,903 27.657,904 207.844,906 200.109,907 105.203,908 11.219,909 31.278,911 200.109,912 11.219,915 39.947,916 65.256,918 31.278,919 200.109,920 35.642,921 112.057,924 200.109,925 50.79,926 66.29,928 30.619,929 200.109,930 35.642,931 112.057,933 0.58,934 0.335,935 0.195,936 0.1,937 16,938 7,939 0.105,940 4,941 2,942 1.364,943 3.16,944 142.502,945 0.364,946 11,947 78.711,948 1,951 12.881,952 5.098,953 2.233,955 33.743,956 8.379,960 1.73,961 4.864,962 2.19,964 347.808,965 27,973 4.343,974 0.955,975 35.894,976 40.531,977 0.315,978 0.677,979 0.848,980 0.859,981 0.859,982 0.859,983 4.58,984 0.754,985 5.509,986 2.636,987 4.111,988 4.625,989 2.582,990 6.392,991 3.976,992 5.795,993 0.633,994 7.106,995 1.798,996 3.761,997 4.46,998 0.325,999 7.469,1000 3.588,1001 7.118,1002 0.132,1003 8.813,1004 1.633,1005 5.746,1006 6.843,1007 4.173,1008 10.659,1009 5.498,1010 8.488,1011 -0.525,1012 10.588,1013 0.304,1014 6.293,1015 7.623,1016 0.268,1017 12.649,1018 6.002,1019 9.902,1020 -0.874,1021 12.409,1022 -1.267,1023 7.756,1024 9.431,1025 5.882,1026 15.372,1027 7.402,1028 11.347,1029 -1,1030 14.262,1031 -2,1032 8.701,1033 10.625,1034 0.188,1035 17.705,1036 8.296,1037 12.817,1038 -1.254,1039 16.138,1040 -2.105,1041 9.99,1042 12.224,1043 7.608,1044 20.29,1045 9.527,1046 3.405,1047 -1.347,1048 18.033,1049 -3.084,1050 11.103,1051 13.596,1052 0.125,1053 22.747,1054 10.583,1055 2.499,1056 12.501,1057 19.941,1058 -3.758,1059 12.341,1060 15.122,1061 9.336,1062 25.291,1063 11.763,1064 2.261,1065 8.295,1066 21.86,1067 4.485,1068 13.521,1069 16.567,1070 0.082,1071 27.792,1072 12.884,1073 2.195,1074 7.374,1075 23.787,1076 3.492,1077 14.746,1078 18.071,1079 11.064,1080 30.323,1081 14.051,1082 1.523,1083 5.182,1084 25.721,1085 2.968,1086 15.952,1087 19.547,1088 0.054,1089 32.84,1090 15.198,1091 1.397,1092 4.338,1093 27.662,1094 2.23,1095 17.175,1096 21.045,1097 12.792,1098 35.367,1099 16.362,1100 1.16,1101 3.223,1102 29.606,1103 1.945,1104 18.392,1105 22.534,1106 0.035,1107 37.889,1108 17.52,1109 3177,1110 5006,1111 13.929,1112 24.449,1113 32.521,1114 33.772,1115 33.418,1116 31.969,1117 31.92,1118 40.879,1119 6.346,1120 94.569,1121 29.649,1122 5.588,1123 6.015,1124 6.826,1125 5.482,1126 5.405,1127 7.262,1128 4.746,1129 19.99,1130 5.177,1131 9.351,1132 1.549,1133 1.608,1134 1.591,1135 1.522,1136 1.52,1137 1.947,1138 0.302,1139 4.503,1140 1.412,1141 4.123,1142 4.15,1143 4.31,1144 4.074,1145 5.022,1146 4.047,1147 3.68,1148 3.763,1149 3.781,1150 3.617,1151 4.702,1152 3.574,1153 3.64,1154 3.666,1155 3.537,1156 3.441,1157 4.436,1158 3.451,1159 3.31,1160 3.374,1161 3.201,1162 3.058,1163 4.293,1164 3.07,1165 3.092,1166 3.171,1167 3.002,1168 2.934,1169 3.795,1170 2.902,1171 2.874,1172 3.009,1173 2.823,1174 2.705,1175 3.555,1176 2.637,1177 2.844,1178 2.927,1179 2.503,1180 2.618,1181 3.467,1182 2.57,1183 2.563,1184 2.642,1185 2.499,1186 2.399,1187 3.34,1188 2.382,1189 0.226,1190 0.191,1191 0.34,1192 0.207,1193 0.162,1194 4.754,1195 0.214,1196 4.015,1197 0.113,1198 7.147,1199 0.595,1200 4.35,1201 0.153,1202 3.405,1203 4.485,1204 2.373,1205 12.501,1206 3.212,1207 1.655,1208 1.616,1209 1.884,1210 1.895,1211 1.095,1212 1.896,1213 1.634,1214 1.584,1215 1.805,1216 1.801,1217 0.962,1218 1.8,1219 1.563,1220 1.515,1221 1.678,1222 1.687,1223 0.792,1224 1.684,1225 1.358,1226 1.305,1227 1.572,1228 1.557,1229 0.696,1230 1.572,1231 1.292,1232 1.284,1233 1.486,1234 1.473,1235 0.614,1236 1.493,1237 1.183,1238 1.1,1239 1.417,1240 1.299,1241 0.551,1242 1.354,1243 0.934,1244 0.804,1245 1.225,1246 1.239,1247 0.469,1248 1.308,1249 0.792,1250 0.702,1251 1.071,1252 0.999,1253 0.228,1254 1.072,1255 3.761,1257 5.094,1258 3.434,1259 6.605,1260 5.861,1261 8.224,1262 8.015,1263 9.92,1265 6.185,1271 1.477,1273 5.46,1276 2.082,1280 22.654,1281 58.573,1282 126.012,1283 157.853,1284 159.853,1285 159.853,1286 159.853,1287 20.424,1288 6.713,1289 29.24,1290 57.48,1291 15,1292 12.49,1293 3.585,1294 2.807,1295 27.887,1296 53,1297 62,1298 0.261,1299 143.756,1300 238.98,1301 342.525,1302 6149,1304 13.405,1305 0.706,1306 0.642,1307 13.759,1308 12.198,1309 9.182,1310 0.437,1311 0.342,1312 6.263,1313 8.318,1314 5.905,1315 4.964,1316 9.636,1317 7.174,1318 8.397,1319 0.28,1320 0.194,1321 8.921,1322 5.816,1323 6.895,1324 0.164,1325 0.102,1326 7.66,1327 4.269,1328 6.206,1329 0.102,1330 0.053,1331 7.083,1332 3.243,1333 4.635,1334 0.065,1335 0.029,1336 5.39,1337 2.045,1338 0.398,1339 62.404,1340 0.268,1341 18.878,1342 0.742,1343 102,1344 279.531,1345 133.045,1346 290.341,1347 406.25,1348 274,1349 123,1350 296.887,1351 156.003,1352 315.14,1353 461.71,1354 293,1355 6.32} {0 CHEMBL336092,1 1.417,2 8.706,3 1.785,4 3.188,5 67.988,6 6.804,7 0.611,8 3.605,9 3.722,10 3.082,11 3.124,12 4.668,13 3.091,14 4.112,15 4.284,16 3.319,17 3.46,18 5.108,19 3.394,20 4.344,21 4.579,22 3.346,23 3.538,24 5.282,25 3.438,26 4.241,27 4.464,28 3.185,29 3.435,30 5.129,31 3.321,32 4.212,33 4.454,34 2.983,35 3.317,36 5.068,37 3.178,38 4.097,39 4.362,40 2.787,41 3.159,42 4.98,43 2.993,44 3.897,45 4.176,46 2.646,47 3.022,48 4.667,49 2.857,50 3.774,51 4.044,52 2.557,53 2.923,54 4.618,55 2.766,56 0.038,57 0.451,58 7.755,59 3.305,60 7.116,61 4.358,62 0.133,63 0.701,64 13.649,65 5.143,66 16.793,67 6.952,68 0.299,69 0.814,70 17.973,71 6.403,72 28.722,73 8.93,74 0.137,75 0.729,76 15.892,77 6.056,78 19.233,79 8.297,80 0.184,81 0.682,82 15.79,83 5.657,84 23.244,85 7.836,86 0.265,87 0.613,88 14.211,89 4.847,90 28.61,91 7.029,92 0.088,93 0.531,94 11.279,95 4.036,96 12.416,97 6.033,98 0.07,99 0.466,100 9.895,101 3.641,102 11.591,103 5.346,104 8,105 22,106 0.265,107 0.571,108 0.693,109 0.812,110 0.887,111 0.909,112 2.906,113 0.973,114 -3.26,115 -3.25,116 -3.11,119 41.2,125 4,140 7,141 2,142 1,169 9,172 2,178 11,182 3,184 1,185 1,189 9,193 3,199 5,203 1,208 2,211 2,218 1,220 3,231 3,242 3,254 3,259 351,260 11.958,261 11.958,262 11.958,263 11.958,264 11.958,265 10.671,266 9.257,267 7.725,268 12.206,269 8.897,270 8.897,271 8.897,272 8.897,273 8.897,274 7.017,275 10.929,276 3.65,277 9.293,278 3.67,279 2.038,280 1.387,281 0.75,282 0.353,283 0.235,284 3.571,288 1,289 1,290 309,291 2.739,295 81.34,299 69.783,302 1.287,303 11.338,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 36.5,315 148,316 4.493,317 3.165,318 6.505,319 4.013,320 3.03,321 4.43,322 0.86,323 10.194,324 2.98,325 3.514,326 2.443,327 5.203,328 3.09,329 2.144,330 2.908,331 0.4,332 6.251,333 2.022,334 3.118,335 2.083,336 4.179,337 2.72,338 1.787,339 2.427,341 3.843,342 1.66,343 2.825,344 1.657,345 3.796,346 2.618,347 1.618,348 1.91,350 3.528,351 1.618,352 2.765,353 1.618,354 3.594,355 2.287,356 1.328,357 1.82,359 2.857,360 1.279,361 2.455,362 1.293,363 3.405,364 2.219,365 1.253,366 1.446,368 2.54,369 1.193,370 2.204,371 1.209,372 3.151,373 1.873,374 0.909,375 1.15,377 1.921,378 0.871,379 1.614,380 0.836,381 2.646,382 1.393,383 0.501,384 0.547,386 0.901,387 0.443,388 1.114,389 0.238,390 2.321,391 0.807,392 -0.114,393 -0.128,395 -0.212,396 -0.103,397 0.882,398 -0.211,399 2,400 0.395,401 -0.533,402 -0.641,404 -1.071,405 -0.49,406 0.706,407 -0.618,408 2,409 0.382,410 -0.618,411 -0.927,413 -1.478,414 -0.618,415 0.436,416 -0.795,417 1.695,418 0.029,419 -0.931,420 -1.141,422 -1.992,423 -0.89,424 -0.004,425 -1.022,426 1.179,427 -0.229,428 -1.182,429 -1.461,431 -2.501,432 -1.129,433 -0.141,434 -1.311,435 1.062,436 -0.586,437 -1.556,438 -1.777,440 -3.418,441 -1.452,442 -0.5,443 -1.549,444 0.509,445 -0.76,446 -1.693,447 -2.09,449 -4.35,450 -1.633,451 8.067,452 0.475,453 0.171,454 0.01,455 20.75,456 1.221,457 10.5,458 0.618,459 10.25,460 0.603,461 10.803,462 0.635,463 18.933,464 0.557,465 12.615,466 0.742,467 4.407,468 0.259,469 4.008,470 0.236,471 0.041,473 0.186,479 0.985,480 1.195,481 0.911,482 1.09,483 1.006,484 1.001,485 1.272,486 1.077,487 1.115,488 1.047,489 1.07,490 1.048,491 1.024,492 0.746,493 0.927,494 0.803,495 0.801,496 0.842,497 1.058,498 1.073,499 1.026,500 1.105,501 0.752,502 1.071,503 1.258,504 1.042,505 1.106,506 1.035,507 1.036,508 1.055,509 0.886,510 1.009,511 1.045,512 0.953,513 0.872,514 1.014,515 0.559,516 1.104,517 0.916,518 1.013,519 0.497,520 1.009,521 0.57,522 1.051,523 0.949,524 1.064,525 0.691,526 1.05,527 1.5,528 0.033,529 1.333,530 0.688,531 0.476,532 0.181,533 0.121,534 0.087,535 0.066,536 0.051,537 2444,538 6285,539 2.063,540 50,542 15,545 2,550 1.564,551 2,552 3.086,553 0.353,555 1,556 1,557 1,559 48.184,560 1.417,561 3.049,562 3.7,563 4.337,564 4.735,565 4.852,566 2.514,567 3.852,568 4.051,569 3.212,570 436.806,571 6.83,572 4043.09,574 1,576 1,577 172.974,578 0.978,579 4.051,580 0.083,581 0.008,582 0.061,583 0.031,584 0.026,585 0.013,586 0.011,587 0.009,588 0.007,589 0.007,590 0.257,591 0.83,592 1,593 1.924,594 71.726,595 -0.076,596 -0.014,597 0.02,598 0.014,599 -0.124,600 0.03,601 -0.179,602 0.026,603 -0.147,604 -0.025,605 -0.168,606 -0.07,607 0.058,608 0.253,609 0.06,610 0.164,611 0.033,612 0.119,613 -0.065,614 -0.104,615 -0.062,616 -0.107,617 -0.031,618 -0.087,619 -0.136,620 -0.113,621 -0.121,622 -0.071,623 -0.134,624 -0.094,625 0.109,626 -0.074,627 -0.065,628 -0.017,629 0.042,630 -0.063,631 0.013,632 -0.125,633 0.015,634 -0.064,635 0.031,636 -0.031,637 0.017,638 -0.065,639 -0.02,640 -0.104,641 0.055,642 -0.067,643 1.339,644 2.621,645 0.588,646 12.215,647 0.995,648 1.125,649 2.028,650 4.114,651 0.647,652 2.944,653 3.135,654 3.367,655 3.584,656 3.761,657 3.664,658 3.689,659 3.689,660 3.664,661 3.296,662 5.067,663 0.608,664 231.32,665 2.944,666 4.394,667 5.198,668 6.023,669 6.855,670 7.698,671 8.542,672 9.393,673 10.245,674 11.101,675 2.9,677 1,687 2,688 7,693 1,695 11,712 1,714 34,716 11,717 2,718 18,720 35,721 14,722 10,723 3,724 7,730 2,731 3,736 1,745 10,746 4,761 1,764 17,765 3,766 2,767 3,773 1,777 0.5,778 2,779 1,793 2,797 1,814 1,817 1,819 1,827 17,832 1,833 4,834 1,835 1,847 5.9,848 1,852 1,854 8.5,855 5.7,856 4.056,857 1.989,858 2.353,859 1.391,860 0.929,861 4.503,862 8.379,863 3.199,864 3.726,865 4.337,866 4.939,867 5.501,868 5.668,869 5.997,870 6.288,871 6.572,872 5.891,873 0.833,874 22,875 6.256,877 2.492,878 7.676,879 12.115,881 9.441,883 2.176,884 37,885 0.003,888 176.567,889 85.527,890 18.011,892 53.683,895 85.527,896 230.25,897 18.011,899 8.804,900 127.028,902 21.389,904 176.567,906 176.567,907 103.538,908 53.683,911 176.567,912 11,913 42.683,915 26.815,916 76.723,919 176.567,920 71.694,921 85.527,924 176.567,925 19.193,926 66.334,927 18.011,928 53.683,929 176.567,930 71.694,931 85.527,933 0.535,934 0.308,935 0.172,936 0.092,937 9,938 3,939 0.171,940 6,941 1,942 1.2,943 3.08,944 107.459,945 0.2,946 10,947 67.487,951 12.052,952 6.352,953 3.268,954 2.325,955 71.694,956 14.228,961 0.911,963 60.694,964 333.787,965 23.5,975 33.825,976 38.239,977 0.279,978 0.599,979 0.727,980 0.853,981 0.931,982 0.954,983 4.341,984 0.501,985 5.094,986 1.921,987 3.807,988 4.407,989 1.029,990 5.808,991 3.735,992 5.481,993 -0.114,994 6.575,995 0.901,996 2.944,997 4.007,999 6.581,1000 2.879,1001 6.743,1002 -0.533,1003 8.177,1004 -0.212,1005 5.263,1006 6.631,1007 0.763,1008 9.734,1009 5.146,1010 8.058,1011 -0.618,1012 9.861,1013 -1.071,1014 5.398,1015 7.249,1017 11.489,1018 5.293,1019 9.42,1020 -0.931,1021 11.602,1022 -1.478,1023 7.052,1024 9.237,1025 0.597,1026 14.102,1027 6.912,1028 10.818,1029 -1.182,1030 13.381,1031 -1.992,1032 7.708,1033 10.332,1035 16.209,1036 7.574,1037 12.243,1038 -1.556,1039 15.187,1040 -2.501,1041 9.052,1042 12.043,1043 0.47,1044 18.641,1045 8.895,1046 3.03,1047 -1.693,1048 17.011,1049 -3.418,1050 9.96,1051 13.355,1053 20.879,1054 9.798,1055 2.144,1056 10.194,1057 18.847,1058 -4.35,1059 11.168,1060 14.943,1061 0.367,1062 23.245,1063 10.989,1064 1.787,1065 6.251,1066 20.693,1067 4.43,1068 12.19,1069 16.353,1071 25.532,1072 12,1073 1.618,1074 3.843,1075 22.545,1076 2.908,1077 13.339,1078 17.886,1079 0.283,1080 27.873,1081 13.134,1082 1.328,1083 3.528,1084 24.402,1085 2.427,1086 14.41,1087 19.34,1089 30.18,1090 14.191,1091 1.253,1092 2.857,1093 26.263,1094 1.91,1095 15.536,1096 20.848,1097 0.217,1098 32.51,1099 15.301,1100 0.909,1101 2.54,1102 28.126,1103 1.82,1104 16.628,1105 22.321,1107 34.826,1108 16.378,1109 2506,1110 4058,1111 12.307,1112 22.006,1113 25.088,1114 25.704,1115 25.848,1116 25.138,1117 25.138,1118 33.275,1119 2.52,1120 64.07,1121 24.133,1122 5.393,1123 5.165,1124 6.458,1125 5.064,1126 5.03,1127 7.43,1128 1.72,1129 16.969,1130 4.98,1131 5.346,1132 1.394,1133 1.428,1134 1.436,1135 1.397,1136 1.397,1137 1.849,1138 0.14,1139 3.559,1140 1.341,1141 4.08,1142 4.097,1143 4.035,1144 4.035,1145 6.456,1146 4.032,1147 3.67,1148 3.745,1149 3.523,1150 3.447,1151 4.952,1152 3.455,1153 3.476,1154 3.517,1155 3.368,1156 3.372,1157 4.522,1158 3.364,1159 3.344,1160 3.403,1161 3.178,1162 3.134,1163 4.275,1164 3.133,1165 3.039,1166 3.086,1167 2.922,1168 2.928,1169 4.101,1170 2.918,1171 2.758,1172 2.846,1173 2.56,1174 2.575,1175 3.695,1176 2.56,1177 2.664,1178 2.722,1179 2.53,1180 2.411,1181 3.409,1182 2.424,1183 2.503,1184 2.587,1185 2.281,1186 2.26,1187 3.31,1188 2.255,1189 0.25,1190 0.176,1191 0.361,1192 0.223,1193 0.168,1194 4.493,1195 0.246,1196 3.165,1197 0.048,1198 6.505,1199 0.566,1200 4.013,1201 0.166,1202 3.03,1203 4.43,1204 0.86,1205 10.194,1206 2.98,1207 2.063,1208 2.047,1209 2.146,1210 2.125,1211 1.277,1212 2.132,1213 1.612,1214 1.542,1215 1.865,1216 1.873,1217 1.101,1218 1.876,1219 1.477,1220 1.435,1221 1.671,1222 1.634,1223 0.888,1224 1.645,1225 1.32,1226 1.257,1227 1.618,1228 1.549,1229 0.686,1230 1.574,1231 1.037,1232 0.994,1233 1.249,1234 1.209,1235 0.335,1236 1.218,1237 0.693,1238 0.64,1239 1.076,1240 1.061,1241 0.172,1242 1.072,1243 0.661,1244 0.57,1245 0.948,1246 0.839,1247 0.061,1248 0.879,1249 0.5,1250 0.412,1251 0.89,1252 0.796,1253 0.015,1254 0.829,1255 3.611,1257 4.828,1259 6.271,1261 7.834,1263 9.465,1270 8.621,1271 2.116,1272 3.078,1273 5.722,1280 20.665,1281 48.184,1282 103.671,1283 125.812,1284 147.464,1285 160.974,1286 164.974,1287 21.074,1288 6.026,1289 41.49,1290 41.49,1291 12,1292 11.656,1293 3.585,1294 2.7,1295 28.64,1296 49,1297 63,1298 0.283,1299 130.426,1300 219.62,1301 310,1302 2802,1304 11.924,1305 0.701,1306 0.572,1307 11.924,1308 9.725,1309 8.415,1310 0.468,1311 0.324,1312 5.759,1313 8.117,1314 5.658,1315 4.693,1316 8.415,1317 5.838,1318 6.602,1319 0.3,1320 0.173,1321 6.602,1322 3.799,1323 5.402,1324 0.193,1325 0.092,1326 5.402,1327 2.575,1328 4.44,1329 0.127,1330 0.05,1331 4.44,1332 1.759,1333 3.552,1334 0.085,1335 0.028,1336 3.552,1337 1.155,1338 0.444,1339 52.605,1340 0.285,1341 17.533,1342 0.767,1343 80,1344 226.218,1345 86.37,1346 214.724,1347 291.35,1348 204,1349 90,1350 203.096,1351 96.094,1352 205.603,1353 298.93,1354 195,1355 7.167} {0 CHEMBL338015,1 1.491,2 15.568,3 3.917,4 15.344,5 146.776,6 6.914,7 0.415,8 4.383,9 4.505,10 3.899,11 3.858,12 5.392,13 3.841,14 4.969,15 5.165,16 4.238,17 4.252,18 5.894,19 4.222,20 5.196,21 5.396,22 4.372,23 4.474,24 6.149,25 4.404,26 5.318,27 5.532,28 4.326,29 4.537,30 6.21,31 4.429,32 5.418,33 5.664,34 4.271,35 4.509,36 6.287,37 4.393,38 5.314,39 5.554,40 4.151,41 4.426,42 6.166,43 4.3,44 5.237,45 5.498,46 4.035,47 4.327,48 6.061,49 4.187,50 5.144,51 5.415,52 3.973,53 4.2,54 6.041,55 4.066,56 0.013,57 1.057,58 16.727,59 6.715,60 10.33,61 9.246,62 0.445,63 1.717,64 32.929,65 10.184,66 30.922,67 14.775,68 0.732,69 2.104,70 41.2,71 14.315,72 50.104,73 20.256,74 0.353,75 2.25,76 46.313,77 17.546,78 46.474,79 24.538,80 0.755,81 2.307,82 53.616,83 17.822,84 72.8,85 25.384,86 0.644,87 2.121,88 47.84,89 16.195,90 57.096,91 23.14,92 0.475,93 1.948,94 44.307,95 15.283,96 48.717,97 22.227,98 0.577,99 1.745,100 40.745,101 13.756,102 60.047,103 20.19,104 21,105 57,106 0.232,107 0.473,108 0.65,109 0.768,110 0.829,111 0.842,112 3.642,113 0.944,114 -3.21,115 -3.2,116 -3.07,119 39.7,124 3,125 9,140 9,141 2,142 5,156 1,169 9,171 1,172 6,178 10,181 6,182 9,189 8,192 1,193 6,199 3,202 2,203 10,211 1,214 2,215 9,225 1,226 6,236 4,237 9,248 2,249 6,259 2586,260 25.532,261 25.532,262 25.532,263 25.532,264 25.532,265 23.44,266 34.592,267 14.895,268 26.409,269 20.083,270 20.083,271 20.083,272 20.083,273 20.083,274 16.711,275 47.473,276 6.834,277 21.28,278 4.699,279 3.147,280 2.004,281 1.25,282 0.853,283 0.771,284 4.35,289 1,290 1261,291 3.536,295 597.173,299 185.175,302 2.359,303 28.57,306 0.75,307 0.83,308 0.83,309 0.9,310 1,311 0.83,312 1,313 0.88,314 80,315 576,316 4.558,317 3.742,318 6.702,319 4.122,320 3.146,321 4.479,322 2.055,323 10.889,324 3.076,325 4.422,326 3.39,327 6.683,328 4.06,329 3.117,330 4.054,331 0.933,332 10.788,333 2.934,334 3.965,335 3.287,336 6.032,337 3.746,338 2.794,339 3.218,340 0.86,341 8.592,342 2.653,343 3.825,344 2.901,345 5.797,346 3.56,347 2.62,348 3.097,349 0.86,350 7.962,351 2.459,352 3.611,353 2.842,354 5.725,355 3.341,356 2.413,357 2.919,358 0.8,359 7.617,360 2.23,361 3.566,362 2.675,363 5.256,364 3.243,365 2.312,366 2.802,367 0.8,368 6.657,369 2.148,370 3.339,371 2.422,372 5.045,373 3.085,374 2.145,375 2.416,376 0.8,377 6.04,378 2.013,379 2.949,380 2.3,381 4.652,382 2.658,383 1.702,384 2.123,385 0.51,386 4.655,387 1.619,388 2.917,389 2.091,390 4.581,391 2.514,392 1.548,393 2.088,395 4.484,396 1.491,397 2.913,398 1.665,399 4.192,400 2.468,401 1.515,402 1.976,404 3.699,405 1.438,406 2.78,407 1.609,408 3.987,409 2.405,410 1.422,411 1.834,413 3.36,414 1.395,415 2.476,416 1.531,417 3.949,418 2.243,419 1.301,420 1.449,422 3.266,423 1.211,424 2.243,425 1.333,426 3.414,427 1.967,428 1,429 1.145,431 2.275,432 0.965,433 2,434 1.146,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 1.146,444 3.38,445 1.815,446 0.836,447 1,449 2.02,450 0.815,451 17.433,452 0.471,453 0.777,454 0.021,455 45.25,456 1.223,457 20,458 0.541,459 25.25,460 0.682,461 35.266,462 0.953,463 41.367,464 0.567,465 37.586,466 1.016,467 9.308,468 0.252,469 8.759,470 0.237,471 0.105,473 0.321,479 0.845,480 1.608,481 0.831,482 1.301,483 0.615,484 1.097,485 1.373,486 0.98,487 0.981,488 0.794,489 0.79,490 0.801,491 0.929,492 0.933,493 1.028,494 0.973,495 0.885,496 0.997,497 0.908,498 1.242,499 1.044,500 1.258,501 1.13,502 1.192,503 1.243,504 0.95,505 1.044,506 0.955,507 1.218,508 0.974,509 1.165,510 1.037,511 1.121,512 1.061,513 1.092,514 1.086,515 0.917,516 1.045,517 0.978,518 1.043,519 0.966,520 1.028,521 0.742,522 0.957,523 0.862,524 0.98,525 1.006,526 0.948,527 6.5,528 0.136,529 4.889,530 2.313,531 2.084,532 1.292,533 0.804,534 0.543,535 0.472,536 0.315,537 23961,538 54822,539 2.116,540 49.3,542 36,550 1.776,551 2,552 3.878,553 -0.778,559 108.858,560 1.491,561 3.043,562 4.186,563 4.939,564 5.337,565 5.419,566 3.352,567 4.885,568 5.184,569 4.083,570 2719.22,571 9.091,572 46399.1,577 451.857,578 1.338,579 5.15,580 0.159,581 0.004,582 0.086,583 0.037,584 0.036,585 0.024,586 0.017,587 0.013,588 0.012,589 0.009,590 0.396,591 0.5,592 0.75,593 0.715,594 207.289,595 0.007,596 -0.359,597 0.092,598 -0.172,599 0.016,600 -0.051,601 -0.166,602 0.178,603 0.028,604 0.182,605 -0.025,606 0.149,607 0.106,608 0.187,609 -0.049,610 0.04,611 0.077,612 -0.013,613 -0.011,614 -0.221,615 -0.088,616 -0.207,617 -0.058,618 -0.169,619 -0.084,620 0.003,621 -0.036,622 0.021,623 -0.083,624 0.001,625 -0.083,626 -0.059,627 -0.127,628 -0.075,629 -0.104,630 -0.105,631 -0.013,632 -0.096,634 -0.056,635 -0.012,636 -0.032,637 0.173,638 -0.022,639 0.124,640 -0.01,641 0.189,642 0.04,643 1.662,644 5.972,645 0.757,646 45.348,647 0.998,648 1.13,649 1.977,650 3.908,651 0.644,652 3.738,653 4.06,654 4.369,655 4.625,656 4.883,657 4.927,658 5.069,659 5.182,660 5.283,661 5.293,662 9.02,663 0.608,664 504.69,665 3.738,666 5.283,667 6.146,668 7.026,669 7.903,670 8.786,671 9.668,672 10.553,673 11.437,674 12.323,675 5.5,678 1,681 2,682 1,687 2,688 9,693 5,695 17,709 2,712 3,714 73,716 18,717 3,718 41,720 77,721 29,722 16,723 7,724 9,730 5,731 6,745 17,746 12,750 1,755 1,759 1,764 36,765 8,767 8,773 4,777 0.8,778 4,793 5,797 1,806 1,815 1,819 4,823 3,827 37,833 9,835 3,838 4,847 5.5,850 1,852 3,854 18.5,855 13.967,856 8.278,857 4.331,858 3.362,859 1.389,860 0.978,861 8.276,862 11.997,863 3.942,864 4.5,865 5.08,866 5.629,867 6.181,868 6.417,869 6.779,870 7.111,871 7.441,872 7.445,873 1,874 63,875 13.738,877 5.752,878 7.563,879 26.84,881 22.07,883 2.063,884 76.333,888 423.76,889 167.981,890 12.497,892 58.145,895 167.981,896 481.904,897 12.497,898 30.162,899 24.562,900 85.286,901 29.85,902 68.762,904 423.76,906 423.76,907 180.478,908 58.145,911 423.76,912 58.145,915 27.687,916 152.792,919 423.76,920 70.642,921 167.981,924 423.76,925 52.532,926 127.946,928 58.145,929 423.76,930 70.642,931 167.981,933 0.577,934 0.354,935 0.193,936 0.107,937 27,938 12,939 0.091,940 7,941 1,942 1.071,943 4.774,944 356.529,945 0.071,946 28,947 184.75,951 25.953,952 11.799,953 5.763,954 2.344,955 70.642,956 18.397,961 4.365,964 662.383,965 50.5,970 12.972,974 0.004,975 72.854,976 82.474,977 0.241,978 0.492,979 0.676,980 0.798,981 0.862,982 0.875,983 5.194,984 1.702,985 6.125,986 6.04,987 4.745,988 5.187,989 2.783,990 6.944,991 4.639,992 6.371,993 1.548,994 7.689,995 4.655,996 4.29,997 4.977,998 1.865,999 7.881,1000 4.13,1001 7.67,1002 1.515,1003 9.355,1004 4.484,1005 6.347,1006 7.348,1007 3.433,1008 10.981,1009 6.145,1010 9.004,1011 1.422,1012 11.081,1013 3.699,1014 6.735,1015 8.008,1016 3.319,1017 12.76,1018 6.48,1019 10.375,1020 1.301,1021 12.846,1022 3.36,1023 8.231,1024 9.861,1025 4.581,1026 15.378,1027 7.944,1028 11.77,1029 1,1030 14.638,1031 3.266,1032 9.007,1033 10.937,1034 4.857,1035 17.5,1036 8.675,1037 13.185,1038 1,1039 16.451,1040 2.275,1041 10.278,1042 12.579,1043 5.905,1044 19.959,1045 9.915,1046 3.146,1047 0.836,1048 18.278,1049 2.275,1050 11.239,1051 13.861,1052 6.371,1053 22.227,1054 10.836,1055 3.117,1056 10.889,1057 20.116,1058 2.02,1059 12.418,1060 15.412,1061 7.288,1062 24.632,1063 11.985,1064 2.794,1065 10.788,1066 21.964,1067 4.479,1068 13.467,1069 16.796,1070 7.856,1071 26.963,1072 12.998,1073 2.62,1074 8.592,1075 23.82,1076 4.054,1077 14.611,1078 18.307,1079 8.696,1080 29.351,1081 14.112,1082 2.413,1083 7.962,1084 25.682,1085 3.218,1086 15.703,1087 19.743,1088 9.324,1089 31.709,1090 15.17,1091 2.312,1092 7.617,1093 27.549,1094 3.097,1095 16.836,1096 21.237,1097 10.117,1098 34.092,1099 16.272,1100 2.145,1101 6.657,1102 29.42,1103 2.919,1104 17.948,1105 22.698,1106 10.781,1107 36.463,1108 17.352,1109 22368,1110 34006,1111 27.739,1112 47.023,1113 61.048,1114 62.498,1115 63.536,1116 60.77,1117 60.842,1118 74.741,1119 15.237,1120 175.101,1121 57.564,1122 5.558,1123 5.742,1124 6.293,1125 5.201,1126 5.146,1127 7.479,1128 3.661,1129 18.043,1130 5.076,1131 17.176,1132 1.489,1133 1.524,1134 1.55,1135 1.482,1136 1.484,1137 1.823,1138 0.372,1139 4.271,1140 1.404,1141 4.108,1142 4.133,1143 4.065,1144 4.05,1145 7.427,1146 4.051,1147 3.969,1148 4.004,1149 3.916,1150 3.852,1151 4.951,1152 3.863,1153 3.793,1154 3.864,1155 3.695,1156 3.597,1157 4.915,1158 3.608,1159 3.765,1160 3.809,1161 3.667,1162 3.577,1163 4.555,1164 3.593,1165 3.524,1166 3.557,1167 3.432,1168 3.383,1169 4.498,1170 3.386,1171 3.363,1172 3.408,1173 3.268,1174 3.164,1175 4.376,1176 3.185,1177 3.249,1178 3.315,1179 3.073,1180 3.006,1181 4.352,1182 3.008,1183 3.237,1184 3.308,1185 3.061,1186 2.984,1187 4.215,1188 2.994,1189 0.111,1190 0.091,1191 0.163,1192 0.101,1193 0.077,1194 4.558,1195 0.109,1196 3.742,1197 0.05,1198 6.702,1199 0.266,1200 4.122,1201 0.075,1202 3.146,1203 4.479,1204 2.055,1205 10.889,1206 3.076,1207 2.074,1208 2.056,1209 2.15,1210 2.149,1211 1.349,1212 2.15,1213 1.906,1214 1.88,1215 2.023,1216 2.064,1217 1.298,1218 2.054,1219 1.747,1220 1.677,1221 1.958,1222 1.964,1223 1.216,1224 1.968,1225 1.707,1226 1.651,1227 1.882,1228 1.905,1229 1.03,1230 1.896,1231 1.483,1232 1.449,1233 1.655,1234 1.672,1235 0.825,1236 1.663,1237 1.303,1238 1.261,1239 1.575,1240 1.535,1241 0.825,1242 1.543,1243 1.201,1244 1.131,1245 1.568,1246 1.517,1247 0.762,1248 1.533,1249 1.187,1250 1.108,1251 1.544,1252 1.488,1253 0.672,1254 1.511,1255 4.419,1257 5.74,1259 7.272,1261 8.896,1263 10.567,1265 5.458,1271 6.864,1273 17.028,1276 8.901,1280 44.374,1281 108.858,1282 222.152,1283 305.553,1284 360.573,1285 389.593,1286 395.593,1287 60.296,1288 8.635,1289 57.72,1290 57.72,1291 30,1292 12.855,1293 4.248,1294 3.392,1295 57.148,1296 206,1297 184,1298 0.134,1299 268.797,1300 471.16,1301 647.625,1302 86211,1304 25.777,1305 0.697,1306 0.594,1307 25.777,1308 21.982,1309 18.067,1310 0.441,1311 0.315,1312 12.646,1313 17.159,1314 12.286,1315 10.148,1316 18.067,1317 12.899,1318 15.782,1319 0.277,1320 0.169,1321 15.782,1322 9.62,1323 14.006,1324 0.18,1325 0.095,1326 14.006,1327 7.392,1328 11.631,1329 0.115,1330 0.051,1331 11.631,1332 5.2,1333 9.809,1334 0.075,1335 0.029,1336 9.809,1337 3.784,1338 0.218,1339 114.541,1340 0.19,1341 34.247,1342 0.347,1343 196,1344 553.523,1345 216.507,1346 518.486,1347 714.85,1348 492,1349 233,1350 522.393,1351 256.227,1352 528.321,1353 775.58,1354 494,1355 9.208} {0 CHEMBL338115,1 1.46,2 6.188,3 2.474,4 6.119,5 64.151,6 7.143,7 0.556,8 3.515,9 3.633,10 3.069,11 3.073,12 4.551,13 3.049,14 4.057,15 4.236,16 3.429,17 3.463,18 5.024,19 3.425,20 4.187,21 4.373,22 3.46,23 3.568,24 5.153,25 3.506,26 4.233,27 4.432,28 3.272,29 3.551,30 5.119,31 3.438,32 4.252,33 4.531,34 2.984,35 3.369,36 4.998,37 3.193,38 3.971,39 4.24,40 2.69,41 3.031,42 4.773,43 2.877,44 3.676,45 3.96,46 2.101,47 2.619,48 4.458,49 2.41,50 3.291,51 3.631,52 1.453,53 2.106,54 3.892,55 1.857,56 0.02,57 0.435,58 6.477,59 2.775,60 5.115,61 3.698,62 0.108,63 0.708,64 12.329,65 4.606,66 12.7,67 6.282,68 0.145,69 0.821,70 14.021,71 5.194,72 15.522,73 7.178,74 0.111,75 0.836,76 14.714,77 5.597,78 13.199,79 7.854,80 0.149,81 0.752,82 16.318,83 6.253,84 15.438,85 9.067,86 0.125,87 0.555,88 12.499,89 4.375,90 14.673,91 6.214,92 0.16,93 0.395,94 9.509,95 3.109,96 13.889,97 4.489,98 0.095,99 0.24,100 6.832,101 2.225,102 8.796,103 3.249,104 6,105 26,106 0.278,107 0.664,108 0.819,109 0.849,110 0.849,111 0.849,112 2.856,113 0.916,114 -2.87,115 -2.88,116 -2.78,119 43.3,120 1,121 1,124 1,125 1,140 3,141 2,142 1,150 2,155 1,169 4,172 4,176 3,178 4,182 3,184 1,186 4,189 5,193 2,199 4,203 3,206 1,211 3,215 1,222 1,225 1,226 1,259 212,260 11.025,261 11.025,262 11.025,263 11.025,264 11.025,265 9.621,266 11.567,267 6.346,268 11.324,269 8.82,270 8.82,271 8.82,272 8.82,273 8.82,274 6.595,275 11.734,276 2.925,277 9.204,278 3.447,279 1.424,280 0.609,281 0.45,282 0.45,283 0.45,284 3.532,288 1,289 1,290 215,291 2,294 19.341,295 56.022,298 79.42,302 0.984,303 8.778,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 34,315 99,316 4.683,317 3.401,318 6.85,319 4.239,320 3.259,321 4.622,322 0.986,323 11.415,324 3.194,325 3.996,326 2.91,327 5.939,328 3.567,329 2.602,330 3.479,331 0.86,332 8.216,333 2.51,334 3.581,335 2.616,336 5.235,337 3.142,338 2.202,339 2.927,341 6.484,342 2.062,343 3.294,344 2.11,345 5.105,346 2.867,347 1.892,348 2.602,350 5.79,351 1.841,352 2.83,353 1.655,354 4.324,355 2.365,356 1.423,357 1.901,359 3.775,360 1.337,361 2.467,362 1.343,363 3.83,364 2.19,365 1.202,366 1.461,368 3.028,369 1.186,370 1.991,371 1.094,372 3.221,373 1.621,374 0.698,375 0.87,377 1.529,378 0.638,379 1.555,380 0.682,381 2.804,382 1.253,383 0.36,384 0.42,386 0.606,387 0.32,388 0.884,389 0.104,390 2.454,391 0.675,392 -0.284,393 -0.317,395 -0.623,396 -0.271,397 0.773,398 -0.283,399 2.3,400 0.343,401 -0.612,402 -0.771,404 -1.457,405 -0.578,406 0.557,407 -0.654,408 2.217,409 0.111,410 -0.876,411 -1.223,413 -2.599,414 -0.863,415 0.273,416 -0.819,417 2,418 -0.134,419 -1.093,420 -1.323,422 -3.173,423 -1.032,424 -0.113,425 -1.062,426 1.536,427 -0.402,428 -1.367,429 -1.663,431 -3.479,432 -1.314,433 -0.305,434 -1.279,435 1.282,436 -0.703,437 -1.592,438 -2.016,440 -4.253,441 -1.419,442 -0.5,443 -1.681,444 1.227,445 -0.907,446 -1.889,447 -2.448,449 -5.673,450 -1.793,451 7.633,452 0.477,453 0.38,454 0.024,455 20.5,456 1.281,457 10,458 0.625,459 10.5,460 0.656,461 11.128,462 0.695,463 16.967,464 0.566,465 11.733,466 0.733,467 4.121,468 0.258,469 3.671,470 0.229,471 0.131,473 0.393,479 0.903,480 1.248,481 0.805,482 1.066,483 0.891,484 0.942,485 1.254,486 1.024,487 0.804,488 0.808,489 1.011,490 0.762,491 1.117,492 1.024,493 1.021,494 0.967,495 1.085,496 0.973,497 1.011,498 1.227,499 1.292,500 1.28,501 1.133,502 1.304,503 0.495,504 0.973,505 0.899,506 1.074,507 0.585,508 1.046,509 1.216,510 1.021,511 1.043,512 1.034,513 1.226,514 1.029,515 1.247,516 0.925,517 1.271,518 1.108,519 1.188,520 1.183,521 1.307,522 0.639,523 0.878,524 0.657,525 1.055,526 0.727,527 3,529 2,530 1.389,531 0.982,532 0.403,533 0.213,534 0.075,535 0.02,537 1836,538 4286,539 2.135,540 46.7,542 8,545 1,546 3,547 2,550 1.556,551 2,552 2.683,553 -0.291,555 1,556 1,557 1,559 43.798,560 1.46,561 3.483,562 4.298,563 4.457,564 4.457,565 4.457,566 2.18,567 3.75,568 3.972,569 2.72,570 326.385,571 6.711,572 2697.86,574 1,576 1,577 147.207,578 1.406,579 3.933,580 0.167,582 0.077,583 0.053,584 0.049,585 0.029,586 0.021,587 0.019,588 0.01,590 0.425,591 1,592 1,593 0.875,594 62.371,595 -0.022,596 -0.111,597 0.069,598 -0.036,599 -0.039,600 0.02,601 -0.11,602 0.034,603 0.143,604 0.179,605 0.026,606 0.188,607 -0.102,608 0.068,609 -0.09,611 -0.089,612 -0.037,613 -0.182,614 -0.173,615 -0.381,616 -0.311,617 -0.307,618 -0.357,619 0.192,620 -0.093,621 0.064,622 -0.09,623 0.194,624 -0.039,625 -0.079,626 -0.141,627 -0.036,628 -0.082,629 -0.102,630 -0.061,631 0.035,632 -0.045,633 -0.242,634 -0.192,635 -0.021,636 -0.242,637 -0.082,638 0.101,639 0.201,640 0.283,641 0.099,642 0.268,643 0.755,644 1.765,645 0.813,646 8.188,647 0.994,648 1.123,649 1.641,650 2.692,651 0.668,652 2.944,653 3.296,654 3.638,655 3.951,656 4.22,657 4.304,658 4.394,659 4.489,660 4.277,661 4.025,662 3.775,663 0.631,664 214.29,665 2.944,666 4.489,667 5.371,668 6.275,669 7.18,670 8.093,671 9.006,672 9.922,673 10.837,674 11.755,675 6.7,683 1,684 1,687 2,688 3,690 1,693 3,695 10,698 1,712 1,714 30,716 11,717 1,718 18,720 32,721 13,722 8,723 3,724 3,725 1,730 3,731 6,736 1,740 1,743 1,745 9,746 4,750 1,758 1,759 1,761 1,764 14,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 2,819 1,823 2,827 16,833 2,835 1,847 3.3,852 1,854 8,855 6.117,856 3.528,857 1.803,858 2.468,859 1.379,860 1.024,861 2.163,862 8.983,863 3.219,864 3.897,865 4.581,866 5.248,867 5.835,868 6.241,869 6.644,870 7.04,871 7.008,872 6.999,873 1,874 26,875 5.895,877 2.481,878 7.5,879 11.56,881 9.628,883 2,884 32,885 0.005,888 153.024,889 71.437,890 33.571,892 11,895 71.437,896 164.024,897 33.571,898 19.708,899 4.64,900 28.429,901 2.757,902 55.573,903 4.901,904 153.024,906 153.024,907 105.008,908 11,911 129.482,912 34.542,915 47.036,916 57.971,919 153.024,920 44.571,921 71.437,924 153.024,925 23.3,926 48.137,927 16.786,928 27.785,929 153.024,930 44.571,931 71.437,933 0.584,934 0.361,935 0.201,936 0.117,937 15,938 6,939 0.031,940 1,941 2,942 1.308,943 2.815,944 116.698,945 0.308,946 13,947 64,951 9.761,952 3.546,953 1.442,954 2.436,955 27.785,956 6.153,958 3.431,961 3.477,963 16.786,964 269.032,965 24,973 4.463,974 1.108,975 29.833,976 33.697,977 0.298,978 0.71,979 0.876,980 0.908,981 0.908,982 0.908,983 4.46,984 0.36,985 5.371,986 1.529,987 3.97,988 4.58,989 1.487,990 6.236,991 3.898,992 5.7,993 -0.284,994 6.961,995 0.606,996 3.611,997 4.543,999 7.235,1000 3.526,1001 7.042,1002 -0.612,1003 8.653,1004 -0.623,1005 5.609,1006 6.913,1007 1.382,1008 10.376,1009 5.487,1010 8.426,1011 -0.876,1012 10.404,1013 -1.457,1014 6.089,1015 7.732,1017 12.224,1018 5.955,1019 9.843,1020 -1.093,1021 12.193,1022 -2.599,1023 7.566,1024 9.579,1025 1.294,1026 14.893,1027 7.407,1028 11.284,1029 -1.367,1030 14.009,1031 -3.173,1032 8.432,1033 10.792,1035 17.092,1036 8.261,1037 12.745,1038 -1.592,1039 15.845,1040 -3.479,1041 9.711,1042 12.44,1043 1.219,1044 19.605,1045 9.521,1046 3.259,1047 -1.889,1048 17.697,1049 -4.253,1050 10.753,1051 13.832,1053 21.946,1054 10.548,1055 2.602,1056 11.415,1057 19.561,1058 -5.673,1059 11.96,1060 15.404,1061 1.156,1062 24.406,1063 11.737,1064 2.202,1065 8.216,1066 21.435,1067 4.622,1068 13.078,1069 16.875,1071 26.803,1072 12.84,1073 1.892,1074 6.484,1075 23.318,1076 3.479,1077 14.262,1078 18.419,1079 1.103,1080 29.246,1081 14.005,1082 1.423,1083 5.79,1084 25.208,1085 2.927,1086 15.414,1087 19.923,1089 31.665,1090 15.14,1091 1.202,1092 3.775,1093 27.103,1094 2.602,1095 16.591,1096 21.457,1097 1.058,1098 34.102,1099 16.299,1100 0.698,1101 3.028,1102 29.003,1103 1.901,1104 17.758,1105 22.977,1107 36.53,1108 17.447,1109 1832,1110 2861,1111 12.137,1112 20.034,1113 27.46,1114 27.729,1115 28.565,1116 27.202,1117 27.275,1118 36.564,1119 3.692,1120 81.684,1121 26.179,1122 5.511,1123 5.401,1124 6.398,1125 5.276,1126 5.259,1127 7.622,1128 1.972,1129 18.704,1130 5.194,1131 6.479,1132 1.526,1133 1.54,1134 1.587,1135 1.511,1136 1.515,1137 2.031,1138 0.205,1139 4.538,1140 1.454,1141 4.16,1142 4.191,1143 4.125,1144 4.073,1145 5.013,1146 4.082,1147 3.68,1148 3.725,1149 3.601,1150 3.551,1151 4.698,1152 3.556,1153 3.337,1154 3.397,1155 3.215,1156 3.086,1157 4.436,1158 3.105,1159 3.226,1160 3.312,1161 3.03,1162 3.067,1163 3.93,1164 3.049,1165 3.058,1166 3.149,1167 2.856,1168 2.848,1169 3.818,1170 2.836,1171 2.878,1172 2.949,1173 2.705,1174 2.725,1175 3.623,1176 2.709,1177 2.519,1178 2.639,1179 2.257,1180 2.25,1181 3.268,1182 2.237,1183 2.3,1184 2.374,1185 2.138,1186 2.16,1187 3.03,1188 2.145,1189 0.26,1190 0.189,1191 0.381,1192 0.236,1193 0.181,1194 4.683,1195 0.257,1196 3.401,1197 0.055,1198 6.85,1199 0.634,1200 4.239,1201 0.177,1202 3.259,1203 4.622,1204 0.986,1205 11.415,1206 3.194,1207 1.94,1208 1.922,1209 2.027,1210 2.023,1211 1.26,1212 2.024,1213 1.79,1214 1.742,1215 1.928,1216 1.964,1217 1.067,1218 1.957,1219 1.277,1220 1.211,1221 1.605,1222 1.56,1223 0.737,1224 1.565,1225 1.208,1226 1.128,1227 1.567,1228 1.456,1229 0.578,1230 1.504,1231 1.09,1232 1.01,1233 1.335,1234 1.347,1235 0.463,1236 1.357,1237 0.891,1238 0.821,1239 1.135,1240 1.076,1241 0.239,1242 1.103,1243 0.656,1244 0.589,1245 0.968,1246 0.859,1247 0.091,1248 0.899,1249 0.443,1250 0.323,1251 0.815,1252 0.743,1254 0.773,1255 3.611,1257 4.949,1258 2.398,1259 6.503,1260 4.844,1261 8.154,1262 7.066,1263 9.855,1265 3.761,1271 1.906,1273 5.265,1280 18.918,1281 43.798,1282 104.478,1283 128.942,1284 133.697,1285 133.697,1286 133.697,1287 14.937,1288 6.515,1289 37.38,1290 37.38,1291 17,1292 12.265,1293 3.585,1294 2.807,1295 21.675,1296 37,1297 38,1298 0.32,1299 116.239,1300 192.17,1301 275.382,1302 4686,1304 11.121,1305 0.695,1306 0.594,1307 11.121,1308 9.502,1309 7.792,1310 0.433,1311 0.305,1312 5.417,1313 7.501,1314 5.214,1315 4.33,1316 7.792,1317 5.494,1318 6.983,1319 0.269,1320 0.158,1321 6.983,1322 4.107,1323 6.337,1324 0.171,1325 0.086,1326 6.337,1327 3.186,1328 5.361,1329 0.105,1330 0.046,1331 5.361,1332 2.337,1333 4.552,1334 0.068,1335 0.025,1336 4.552,1337 1.654,1338 0.465,1339 48.73,1340 0.287,1341 15.609,1342 0.99,1343 88,1344 227.714,1345 94.653,1346 220.445,1347 313.14,1348 210,1349 107,1350 237.912,1351 113.849,1352 243.414,1353 358.23,1354 229,1355 5} {0 CHEMBL339308,1 1.505,2 16.108,3 4.21,4 17.727,5 146.165,6 7.138,7 0.439,8 4.344,9 4.468,10 3.882,11 3.856,12 5.405,13 3.835,14 4.894,15 5.08,16 4.239,17 4.247,18 5.906,19 4.213,20 5.099,21 5.295,22 4.296,23 4.429,24 6.09,25 4.357,26 5.224,27 5.447,28 4.264,29 4.47,30 6.187,31 4.366,32 5.261,33 5.504,34 4.21,35 4.441,36 6.186,37 4.33,38 5.174,39 5.411,40 4.11,41 4.368,42 6.078,43 4.247,44 5.131,45 5.391,46 4.048,47 4.267,48 6.045,49 4.144,50 5.024,51 5.269,52 4.018,53 4.14,54 6.054,55 4.059,56 0.081,57 1.034,58 15.287,59 6.293,60 12.894,61 8.557,62 0.397,63 1.658,64 29.191,65 10.063,66 33.654,67 14.098,68 0.38,69 2,70 35.758,71 13.092,72 40.177,73 18.311,74 0.314,75 2.149,76 41.455,77 15.539,78 52.329,79 21.929,80 0.503,81 2.123,82 44.638,83 15.774,84 61.872,85 22.371,86 0.459,87 1.974,88 40.374,89 14.595,90 48.982,91 20.796,92 0.43,93 1.847,94 39.439,95 13.946,96 52.975,97 20.245,98 0.393,99 1.644,100 35.717,101 11.521,102 60.758,103 16.435,104 27,105 58,106 0.235,107 0.558,108 0.743,109 0.826,110 0.851,111 0.851,112 3.642,113 0.918,114 -5.5,115 -5.37,116 -5.02,119 41.4,120 2,124 2,125 4,128 1,140 10,141 5,142 3,156 2,166 1,169 15,171 1,172 6,174 2,176 4,178 19,181 2,182 8,186 6,189 18,193 9,195 1,197 4,199 16,203 7,206 1,208 3,211 17,214 2,215 6,220 2,222 13,225 1,226 9,229 1,231 4,233 7,237 11,242 5,244 4,248 1,249 8,254 2,256 7,259 2687,260 25.057,261 25.057,262 25.057,263 25.057,264 25.057,265 22.66,266 30.148,267 14.497,268 25.691,269 20.146,270 20.146,271 20.146,272 20.146,273 20.146,274 16.318,275 40.838,276 6.798,277 21.02,278 4.624,279 2.553,280 1.368,281 0.836,282 0.672,283 0.672,284 4.345,289 1,290 1306,291 3.317,294 126.23,295 546.726,302 2.495,303 26.593,306 0.75,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.87,314 79.5,315 596,316 4.437,317 4.047,318 6.521,319 4.063,320 3.073,321 4.12,322 2.124,323 10.27,324 3.053,325 4.356,326 3.574,327 6.482,328 4.006,329 3.054,330 3.965,331 1.058,332 10.074,333 2.909,334 4.197,335 3.299,336 6.151,337 3.834,338 2.857,339 3.73,340 0.86,341 9.1,342 2.798,343 4.052,344 3.092,345 6.04,346 3.718,347 2.74,348 3.443,349 0.8,350 8.651,351 2.663,352 3.65,353 2.78,354 5.354,355 3.403,356 2.466,357 2.964,358 0.8,359 6.891,360 2.311,361 3.521,362 2.759,363 5.219,364 3.231,365 2.281,366 2.772,367 0.594,368 6.438,369 2.159,370 3.423,371 2.421,372 5.146,373 3.134,374 2.184,375 2.532,376 0.316,377 6.27,378 2.064,379 3.207,380 2.399,381 4.943,382 2.902,383 1.97,384 2.365,386 5.604,387 1.868,388 3.101,389 2.335,390 4.923,391 2.863,392 1.904,393 2.181,395 5.483,396 1.779,397 2.844,398 2.227,399 4.179,400 2.394,401 1.387,402 1.944,404 3.634,405 1.392,406 2.683,407 1.838,408 4.077,409 2.256,410 1.285,411 1.691,413 3.393,414 1.241,415 2.5,416 1.543,417 3.982,418 2.109,419 1.137,420 1.5,422 3.077,423 1.103,424 2.489,425 1.335,426 3.881,427 2.038,428 1.05,429 1.46,431 2.896,432 1.033,433 2.468,434 1.192,435 3.414,436 2,437 1,438 1.426,440 2.275,441 1,442 2,443 1.146,444 3.414,445 1.967,446 1,447 1,449 2.275,450 0.965,451 17.5,452 0.473,453 0.938,454 0.025,455 47,456 1.27,457 22.5,458 0.608,459 24.5,460 0.662,461 33.732,462 0.912,463 40.1,464 0.573,465 39.515,466 1.068,467 9.572,468 0.259,469 8.334,470 0.225,471 0.133,473 0.36,479 0.78,480 1.372,481 0.816,482 1.137,483 0.667,484 1.002,485 1.129,486 0.976,487 0.879,488 0.825,489 0.668,490 0.809,491 1.023,492 1.053,493 1.057,494 1.035,495 0.882,496 1.041,497 0.877,498 1.123,499 1.023,500 1.148,501 0.983,502 1.112,503 1.065,504 0.947,505 0.997,506 0.964,507 1.189,508 0.973,509 0.921,510 1.032,511 1.056,512 1.075,513 0.935,514 1.086,515 0.742,516 0.998,517 0.875,518 1.001,519 0.814,520 0.964,521 1.345,522 0.98,523 0.955,524 0.914,525 1.803,526 0.882,527 8,528 0.207,529 4.889,530 2.472,531 2.161,532 1.372,533 1.069,534 0.694,535 0.362,536 0.269,537 24400,538 57863,539 2.1,540 47.1,541 3,542 24,543 1,545 2,548 3,550 1.776,551 1.965,552 3.923,553 0.135,559 105.339,560 1.505,561 3.577,562 4.761,563 5.293,564 5.458,565 5.458,566 3.399,567 4.885,568 5.18,569 4.126,570 2748.15,571 9.085,572 46997.1,577 429.05,578 1.414,579 5.14,580 0.195,581 0.006,582 0.084,583 0.041,584 0.039,585 0.026,586 0.023,587 0.016,588 0.008,589 0.007,590 0.445,591 0.17,592 0.63,593 0.672,594 207.694,595 0.064,596 -0.159,597 0.073,598 -0.061,599 -0.036,600 -0.005,601 -0.015,602 0.154,603 0.088,604 0.167,605 0.084,606 0.147,607 -0.086,608 0.047,609 -0.111,610 -0.023,611 -0.012,612 -0.061,613 -0.036,614 -0.105,615 -0.072,616 -0.129,617 0.011,618 -0.108,619 -0.066,620 0.022,621 -0.012,622 0.032,623 -0.076,624 0.021,625 -0.013,626 -0.046,627 -0.086,628 -0.072,629 -0.064,630 -0.087,631 0.116,632 -0.051,633 0.107,634 -0.01,635 0.145,636 0.04,637 -0.11,638 -0.013,639 0.067,640 0.045,641 -0.013,642 0.08,643 1.812,644 6.037,645 0.784,646 48.543,647 0.998,648 1.128,649 4.266,650 18.202,651 0.658,652 3.738,653 4.078,654 4.357,655 4.605,656 4.828,657 4.905,658 5.056,659 5.153,660 5.204,661 5.308,662 9.178,663 0.623,664 499.67,665 3.738,666 5.293,667 6.151,668 7.031,669 7.901,670 8.783,671 9.658,672 10.541,673 11.418,674 12.301,675 7.1,677 1,678 1,681 1,682 1,684 1,688 10,693 8,695 18,702 1,709 1,712 1,714 70,716 20,717 3,718 41,720 74,721 29,722 18,723 8,724 10,725 2,730 5,731 5,736 2,745 20,746 9,750 2,755 1,758 1,759 2,764 33,765 8,766 2,767 8,773 5,774 1,777 1,778 3,792 1,793 4,813 1,815 1,819 5,823 4,827 37,833 4,834 2,835 2,837 1,838 2,847 4.3,850 1,851 1,852 1,854 18.833,855 13.767,856 8.083,857 4.142,858 3.648,859 1.432,860 0.988,861 7.582,862 12.091,863 3.97,864 4.549,865 5.116,866 5.655,867 6.182,868 6.455,869 6.886,870 7.195,871 7.512,872 7.905,873 0.909,874 60,875 13.681,877 5.764,878 7.608,879 26.481,881 21.726,883 2.108,884 78,888 364.904,889 173.833,890 61.67,892 47.364,895 173.833,896 412.268,897 61.67,898 36.93,899 26.434,900 115.388,901 43.396,902 60.719,903 11.771,904 353.133,906 364.904,907 235.502,908 47.364,911 329.591,912 71.458,913 11.219,915 84.619,916 150.884,919 364.904,920 109.034,921 173.833,924 364.904,925 42.14,926 137.941,927 38.636,928 64.149,929 364.904,930 109.034,931 173.833,933 0.587,934 0.347,935 0.184,936 0.101,937 28,938 13,939 0.081,940 6,942 1,943 4.799,944 354.854,946 29,947 184.75,951 25.43,952 11.032,953 5.705,955 109.034,956 19.67,961 7.421,963 38.636,964 647.77,965 52,970 13.037,973 4.439,974 0.594,975 69.861,976 78.933,977 0.246,978 0.584,979 0.777,980 0.864,981 0.89,982 0.89,983 5.228,984 1.97,985 6.142,986 6.27,987 4.762,988 5.236,989 2.823,990 6.952,991 4.688,992 6.426,993 1.904,994 7.704,995 5.604,996 4.369,997 5.017,998 0.57,999 7.84,1000 4.263,1001 7.73,1002 1.387,1003 9.361,1004 5.483,1005 6.365,1006 7.378,1007 3.816,1008 10.915,1009 6.229,1010 9.066,1011 1.285,1012 11.072,1013 3.634,1014 6.77,1015 7.959,1016 1.719,1017 12.611,1018 6.607,1019 10.433,1020 1.137,1021 12.819,1022 3.393,1023 8.232,1024 9.806,1025 5.181,1026 15.196,1027 8.047,1028 11.821,1029 1.05,1030 14.59,1031 3.077,1032 8.999,1033 10.763,1034 3.391,1035 17.231,1036 8.791,1037 13.226,1038 1,1039 16.379,1040 2.896,1041 10.246,1042 12.386,1043 6.64,1044 19.64,1045 10.019,1046 3.073,1047 1,1048 18.181,1049 2.275,1050 11.186,1051 13.536,1052 5.106,1053 21.824,1054 10.938,1055 3.054,1056 10.27,1057 19.994,1058 2.275,1059 12.343,1060 15.049,1061 8.121,1062 24.167,1063 12.077,1064 2.857,1065 10.074,1066 21.815,1067 4.12,1068 13.367,1069 16.304,1070 6.789,1071 26.417,1072 13.08,1073 2.74,1074 9.1,1075 23.642,1076 3.965,1077 14.488,1078 17.759,1079 9.606,1080 28.736,1081 14.183,1082 2.466,1083 8.651,1084 25.475,1085 3.73,1086 15.552,1087 19.074,1088 8.44,1089 31.017,1090 15.228,1091 2.281,1092 6.891,1093 27.313,1094 3.443,1095 16.66,1096 20.499,1097 11.093,1098 33.328,1099 16.318,1100 2.184,1101 6.438,1102 29.154,1103 2.964,1104 17.745,1105 21.848,1106 10.068,1107 35.625,1108 17.384,1109 22716,1110 35179,1111 27.452,1112 46.052,1113 62.134,1114 65.134,1115 63.841,1116 61.392,1117 61.398,1118 77.139,1119 13.104,1120 178.222,1121 59.063,1122 5.437,1123 6.047,1124 6.062,1125 5.131,1126 5.073,1127 7.12,1128 4.2,1129 17.089,1130 5.053,1131 19.075,1132 1.515,1133 1.589,1134 1.557,1135 1.497,1136 1.498,1137 1.881,1138 0.32,1139 4.347,1140 1.441,1141 4.059,1142 4.086,1143 4.012,1144 3.999,1145 7.429,1146 3.998,1147 3.96,1148 3.997,1149 3.909,1150 3.858,1151 4.991,1152 3.867,1153 3.842,1154 3.878,1155 3.789,1156 3.748,1157 4.864,1158 3.75,1159 3.738,1160 3.799,1161 3.627,1162 3.556,1163 4.764,1164 3.563,1165 3.646,1166 3.692,1167 3.569,1168 3.426,1169 4.534,1170 3.455,1171 3.349,1172 3.393,1173 3.275,1174 3.122,1175 4.415,1176 3.151,1177 3.21,1178 3.303,1179 3.034,1180 3.036,1181 4.346,1182 3.019,1183 3.19,1184 3.274,1185 3.012,1186 2.948,1187 3.931,1188 2.95,1189 0.108,1190 0.099,1191 0.159,1192 0.099,1193 0.075,1194 4.437,1195 0.1,1196 4.047,1197 0.052,1198 6.521,1199 0.25,1200 4.063,1201 0.074,1202 3.073,1203 4.12,1204 2.124,1205 10.27,1206 3.053,1207 2.014,1208 1.995,1209 2.1,1210 2.085,1211 1.305,1212 2.088,1213 1.917,1214 1.887,1215 2.033,1216 2.057,1217 1.246,1218 2.057,1219 1.801,1220 1.775,1221 1.925,1222 1.928,1223 1.06,1224 1.929,1225 1.703,1226 1.635,1227 1.885,1228 1.866,1229 1.006,1230 1.874,1231 1.473,1232 1.408,1233 1.748,1234 1.711,1235 0.888,1236 1.722,1237 1.276,1238 1.232,1239 1.573,1240 1.555,1241 0.825,1242 1.55,1243 1.234,1244 1.167,1245 1.555,1246 1.502,1247 0.641,1248 1.508,1249 1.174,1250 1.082,1251 1.54,1252 1.469,1253 0.628,1254 1.495,1255 4.419,1257 5.753,1258 2.398,1259 7.276,1260 4.595,1261 8.881,1262 6.555,1263 10.529,1265 7.769,1271 3.828,1272 5.92,1273 10.895,1275 -0.19,1276 4.616,1280 43.627,1281 105.339,1282 250.373,1283 333.301,1284 370.52,1285 382.03,1286 382.03,1287 59.029,1288 8.444,1289 78.43,1290 78.43,1291 29,1292 12.836,1293 4.392,1294 3.585,1295 57.168,1296 207,1297 201,1298 0.133,1299 265.74,1300 468.09,1301 640.166,1302 65581,1304 25.941,1305 0.701,1306 0.588,1307 25.941,1308 21.746,1309 17.906,1310 0.437,1311 0.306,1312 12.351,1313 17.15,1314 11.933,1315 9.929,1316 17.906,1317 12.549,1318 16.312,1319 0.281,1320 0.164,1321 16.312,1322 9.535,1323 13.957,1324 0.181,1325 0.089,1326 13.957,1327 6.876,1328 11.501,1329 0.116,1330 0.048,1331 11.501,1332 4.711,1333 9.237,1334 0.074,1335 0.027,1336 9.237,1337 3.287,1338 0.216,1339 112.581,1340 0.191,1341 34.381,1342 0.343,1343 198,1344 544.808,1345 216.793,1346 523.849,1347 727.61,1348 494,1349 234,1350 545.914,1351 253.823,1352 553.778,1353 809.09,1354 519,1355 9.131} {0 CHEMBL339980,1 1.527,2 10,3 3.654,4 13.352,5 98.754,6 7.222,7 0.593,8 3.93,9 4.061,10 3.464,11 3.473,12 5.041,13 3.445,14 4.454,15 4.647,16 3.818,17 3.853,18 5.536,19 3.809,20 4.666,21 4.86,22 3.867,23 3.992,24 5.768,25 3.92,26 4.822,27 5.071,28 3.812,29 3.996,30 5.815,31 3.892,32 4.749,33 4.995,34 3.772,35 3.943,36 5.739,37 3.846,38 4.73,39 4.963,40 3.821,41 3.954,42 5.901,43 3.858,44 4.737,45 4.976,46 3.643,47 3.941,48 5.726,49 3.815,50 4.718,51 4.991,52 3.458,53 3.821,54 5.67,55 3.665,56 0.02,57 0.748,58 9.828,59 4.268,60 6.358,61 5.709,62 0.165,63 1.181,64 18.269,65 6.91,66 19.464,67 9.58,68 0.166,69 1.424,70 22.974,71 8.822,72 34.108,73 11.856,74 0.271,75 1.47,76 28.675,77 10.192,78 46.993,79 14.359,80 0.264,81 1.339,82 26.464,83 9.195,84 38.444,85 13.129,86 0.478,87 1.361,88 25.833,89 9.154,90 70.565,91 13.054,92 0.251,93 1.34,94 25.96,95 9.473,96 43.761,97 13.283,98 0.333,99 1.25,100 26.605,101 9.325,102 50.726,103 13.328,104 29,105 38,106 0.261,107 0.616,108 0.767,109 0.824,110 0.824,111 0.824,112 3.267,113 0.919,114 -4.71,115 -4.63,116 -4.35,119 42.6,120 1,121 1,124 2,125 1,140 7,141 3,142 2,150 2,156 1,169 8,172 2,174 1,176 7,178 9,182 3,186 6,189 7,193 5,196 1,197 5,199 6,203 3,206 1,208 1,211 9,215 4,218 2,220 1,222 10,226 2,231 2,233 9,236 1,237 1,242 2,244 6,249 2,256 2,259 947,260 16.499,261 16.499,262 16.499,263 16.499,264 16.499,265 14.429,266 16.747,267 9.674,268 16.767,269 13.309,270 13.309,271 13.309,272 13.309,273 13.309,274 10.156,275 20.177,276 4.601,277 13.737,278 4.028,279 1.945,280 1.062,281 0.729,282 0.729,283 0.729,284 3.944,287 1,288 1,289 1,290 525,291 3.536,294 53.95,295 147.589,298 102.618,302 1.36,303 24.392,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 54,315 250,316 4.698,317 3.587,318 6.922,319 4.249,320 3.266,321 4.663,322 1.058,323 11.659,324 3.209,325 4.184,326 3.339,327 6.053,328 3.819,329 2.819,330 3.759,331 0.8,332 8.682,333 2.814,334 3.761,335 2.884,336 5.672,337 3.376,338 2.41,339 3.183,341 7.352,342 2.33,343 3.614,344 2.614,345 5.199,346 3.208,347 2.258,348 2.984,350 6.233,351 2.132,352 3.407,353 2.478,354 5.01,355 3.097,356 2.166,357 2.768,359 5.928,360 2.006,361 3.18,362 2.061,363 4.66,364 2.91,365 1.947,366 2.197,368 5.119,369 1.865,370 2.873,371 1.96,372 4.499,373 2.444,374 1.47,375 2.025,377 4.172,378 1.429,379 2.786,380 1.685,381 4.006,382 2.296,383 1.3,384 1.831,386 3.239,387 1.284,388 2.5,389 1.29,390 3.661,391 2.103,392 1.109,393 1.5,395 2.666,396 1.095,397 2.457,398 1,399 3.414,400 2,401 1,402 1.423,404 2.275,405 1,406 1.648,407 0.727,408 3.05,409 1.437,410 0.467,411 0.537,413 1.117,414 0.452,415 1.245,416 0.453,417 2.716,418 0.859,419 -0.096,420 -0.12,422 -0.236,423 -0.09,424 1.114,425 0.275,426 2.407,427 0.661,428 -0.296,429 -0.391,431 -0.657,432 -0.276,433 0.826,434 -0.061,435 2.273,436 0.587,437 -0.389,438 -0.453,440 -0.971,441 -0.376,442 0.582,443 -0.43,444 2.131,445 0.139,446 -0.858,447 -1,449 -2,450 -0.845,451 11.819,452 0.473,453 0.72,454 0.029,455 31.75,456 1.27,457 16,458 0.64,459 15.75,460 0.63,461 20.24,462 0.81,463 27.181,464 0.578,465 24.043,466 0.962,467 6.566,468 0.263,469 5.386,470 0.215,471 0.179,473 0.372,477 1,479 0.662,480 1.167,481 0.805,482 1.068,483 0.545,484 0.976,485 0.722,486 0.957,487 0.786,488 0.863,489 0.507,490 0.829,491 1.015,492 1.166,493 1.071,494 1.157,495 0.915,496 1.126,497 0.855,498 0.933,499 0.928,500 0.995,501 0.827,502 0.977,503 0.808,504 0.809,505 0.913,506 0.924,507 0.769,508 0.929,509 0.578,510 0.773,511 0.902,512 0.957,513 0.557,514 0.978,515 0.884,516 0.918,517 1.11,518 1.079,519 0.857,520 1.123,521 0.808,522 0.812,523 1.02,524 0.951,525 0.856,526 1.013,527 5.5,528 0.131,529 3.111,530 2.104,531 1.321,532 0.997,533 0.716,534 0.368,535 0.267,536 0.172,537 6548,538 17498,539 2.015,540 46.8,542 15,545 2,546 3,547 2,550 1.684,551 1.852,552 3.28,553 0.233,555 1,559 71.765,560 1.527,561 3.61,562 4.493,563 4.826,564 4.826,565 4.826,566 2.699,567 4.324,568 4.612,569 3.419,570 1025.56,571 7.999,572 12287.1,574 1,576 1,577 261.066,578 1.516,579 4.555,580 0.204,581 0.011,582 0.082,583 0.055,584 0.038,585 0.029,586 0.02,587 0.013,588 0.012,589 0.01,590 0.474,591 0.33,592 1,593 1.207,594 119.731,595 -0.038,596 -0.098,597 0.034,598 -0.016,599 -0.048,600 0.016,601 0.019,602 0.051,603 0.119,604 0.132,605 0.08,606 0.145,607 -0.106,608 -0.119,609 -0.145,610 -0.15,611 -0.04,612 -0.151,613 -0.019,614 -0.051,615 0.033,616 -0.028,617 -0.003,618 0.004,619 -0.032,620 0.009,621 0.036,622 0.025,623 -0.021,624 0.042,625 0.245,626 0.11,627 0.046,628 0.007,629 0.232,630 -0.006,631 -0.109,632 -0.057,633 -0.171,634 -0.104,635 -0.083,636 -0.14,637 -0.023,638 -0.008,639 -0.051,640 0.005,641 -0.054,642 -0.024,643 2.022,644 5.501,645 0.6,646 21.066,647 1,648 1.132,649 3.481,650 12.116,651 0.66,652 3.332,653 3.664,654 3.912,655 4.19,656 4.419,657 4.489,658 4.533,659 4.625,660 4.605,661 4.635,662 5.853,663 0.626,664 339.45,665 3.332,666 4.875,667 5.72,668 6.605,669 7.478,670 8.372,671 9.257,672 10.155,673 11.047,674 11.949,675 6.4,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,702 1,713 1,714 47,716 17,717 2,718 27,720 49,721 20,722 14,723 5,724 7,725 1,730 3,731 4,736 1,743 1,745 15,746 5,750 1,755 1,759 1,760 1,761 1,762 1,764 22,765 4,766 2,767 5,773 3,777 0.667,778 1,788 1,792 1,793 2,796 1,815 1,819 2,823 3,825 1,827 25,833 2,834 1,838 1,846 1,847 2.1,850 1,854 13.5,855 9.343,856 5.472,857 2.709,858 3.079,859 1.431,860 0.993,861 5.095,862 10.218,863 3.611,864 4.245,865 4.853,866 5.478,867 6.003,868 6.278,869 6.595,870 6.964,871 7.061,872 7.346,873 0.857,874 38,875 9.26,877 3.899,878 7.833,879 17.604,881 14.237,883 2.333,884 58.333,887 1,888 235.422,889 127.019,890 37.921,892 25.145,893 14.96,895 127.019,896 260.567,897 52.881,898 25.618,899 22.651,900 66.334,901 29.85,902 40.732,903 19.861,904 235.422,906 235.422,907 164.94,908 40.105,911 226.84,912 48.687,915 51.386,916 113.554,919 250.382,920 63.066,921 127.019,924 235.422,925 35.068,926 95.076,927 34.796,928 40.105,929 235.422,930 78.026,931 127.019,933 0.585,934 0.328,935 0.176,936 0.104,937 18,938 9,939 0.102,940 5,941 1,942 1.133,943 3.61,944 205.568,945 0.133,946 15,947 110.096,951 17.497,952 7.28,953 3.852,954 2.042,955 61.24,956 11.372,958 3.392,961 3.162,963 34.796,964 440.467,965 36,970 12.501,974 -0.245,975 46.981,976 53.196,977 0.275,978 0.65,979 0.809,980 0.869,981 0.869,982 0.869,983 4.844,984 1.3,985 5.72,986 4.172,987 4.344,988 4.931,989 1.435,990 6.541,991 4.289,992 6.071,993 1.109,994 7.288,995 3.239,996 4.007,997 4.844,998 0.325,999 7.489,1000 3.917,1001 7.39,1002 1,1003 8.957,1004 2.666,1005 5.943,1006 7.196,1007 1.379,1008 10.604,1009 5.848,1010 8.747,1011 0.467,1012 10.685,1013 2.275,1014 6.399,1015 7.951,1016 0.268,1017 12.433,1018 6.285,1019 10.138,1020 -0.096,1021 12.455,1022 1.117,1023 7.846,1024 9.809,1025 1.406,1026 15.093,1027 7.725,1028 11.555,1029 -0.296,1030 14.254,1031 -0.236,1032 8.677,1033 10.973,1034 0.188,1035 17.298,1036 8.546,1037 12.994,1038 -0.389,1039 16.077,1040 -0.657,1041 9.937,1042 12.631,1043 1.462,1044 19.812,1045 9.797,1046 3.266,1047 -0.858,1048 17.918,1049 -0.971,1050 10.949,1051 13.995,1052 0.125,1053 22.169,1054 10.798,1055 2.819,1056 11.659,1057 19.775,1058 -2,1059 12.141,1060 15.572,1061 1.533,1062 24.638,1063 11.977,1064 2.41,1065 8.682,1066 21.644,1067 4.663,1068 13.238,1069 17.029,1070 0.082,1071 27.054,1072 13.061,1073 2.258,1074 7.352,1075 23.524,1076 3.759,1077 14.409,1078 18.577,1079 1.613,1080 29.511,1081 14.217,1082 2.166,1083 6.233,1084 25.413,1085 3.183,1086 15.546,1087 20.077,1088 0.054,1089 31.95,1090 15.338,1091 1.947,1092 5.928,1093 27.309,1094 2.984,1095 16.714,1096 21.616,1097 1.698,1098 34.405,1099 16.489,1100 1.47,1101 5.119,1102 29.211,1103 2.768,1104 17.87,1105 23.136,1106 0.035,1107 36.853,1108 17.628,1109 6510,1110 10805,1111 17.512,1112 31.023,1113 40.881,1114 41.705,1115 42.366,1116 40.529,1117 40.426,1118 53.743,1119 3.717,1120 116.885,1121 39.232,1122 5.544,1123 5.587,1124 6.448,1125 5.282,1126 5.266,1127 7.663,1128 2.117,1129 18.805,1130 5.209,1131 14.299,1132 1.514,1133 1.545,1134 1.569,1135 1.501,1136 1.497,1137 1.99,1138 0.138,1139 4.329,1140 1.453,1141 4.152,1142 4.185,1143 4.116,1144 4.067,1145 8.201,1146 4.075,1147 3.917,1148 3.941,1149 3.871,1150 3.84,1151 7.429,1152 3.842,1153 3.66,1154 3.743,1155 3.525,1156 3.488,1157 4.95,1158 3.485,1159 3.501,1160 3.564,1161 3.401,1162 3.316,1163 4.601,1164 3.322,1165 3.317,1166 3.356,1167 3.251,1168 3.1,1169 4.357,1170 3.136,1171 3.147,1172 3.241,1173 2.949,1174 2.945,1175 4.29,1176 2.93,1177 2.94,1178 3.035,1179 2.763,1180 2.756,1181 3.94,1182 2.747,1183 2.874,1184 3.009,1185 2.687,1186 2.735,1187 3.674,1188 2.715,1189 0.174,1190 0.133,1191 0.256,1192 0.157,1193 0.121,1194 4.698,1195 0.173,1196 3.587,1197 0.039,1198 6.922,1199 0.432,1200 4.249,1201 0.119,1202 3.266,1203 4.663,1204 1.058,1205 11.659,1206 3.209,1207 1.958,1208 1.936,1209 2.041,1210 2.053,1211 1.269,1212 2.05,1213 1.877,1214 1.855,1215 1.977,1216 1.966,1217 1.089,1218 1.97,1219 1.718,1220 1.66,1221 1.915,1222 1.915,1223 1.049,1224 1.921,1225 1.517,1226 1.432,1227 1.775,1228 1.76,1229 0.876,1230 1.768,1231 1.213,1232 1.168,1233 1.546,1234 1.479,1235 0.679,1236 1.476,1237 1.17,1238 1.094,1239 1.417,1240 1.409,1241 0.469,1242 1.418,1243 0.944,1244 0.871,1245 1.333,1246 1.239,1247 0.348,1248 1.308,1249 0.934,1250 0.821,1251 1.192,1252 1.192,1253 0.285,1254 1.207,1255 4.007,1257 5.333,1258 2.398,1259 6.843,1260 4.844,1261 8.442,1262 7.034,1263 10.094,1265 6.138,1267 13.051,1271 1.816,1272 2.967,1276 2.137,1280 29.43,1281 71.765,1282 169.657,1283 211.15,1284 226.801,1285 226.801,1286 226.801,1287 47.254,1288 7.139,1289 48.13,1290 48.13,1291 17,1292 12.472,1293 4.17,1294 3.322,1295 41.597,1296 85,1297 97,1298 0.238,1299 182.595,1300 311.52,1301 437.292,1302 11384,1303 2.1,1304 17.974,1305 0.719,1306 0.588,1307 17.104,1308 14.689,1309 11.952,1310 0.443,1311 0.306,1312 8.16,1313 11.519,1314 7.844,1315 6.582,1316 11.559,1317 8.273,1318 11.109,1319 0.292,1320 0.17,1321 10.488,1322 6.471,1323 8.755,1324 0.179,1325 0.088,1326 8.345,1327 4.305,1328 7.221,1329 0.111,1330 0.046,1331 7.069,1332 2.994,1333 5.944,1334 0.072,1335 0.025,1336 5.732,1337 2.068,1338 0.367,1339 74.756,1340 0.239,1341 24.052,1342 0.674,1343 130,1344 402.157,1345 141.568,1346 369.751,1347 496.89,1348 344,1349 152,1350 358.885,1351 163.065,1352 364.153,1353 528.36,1354 340,1355 5.79} {0 CHEMBL340786,1 1.417,2 14.706,3 4.436,4 19.68,5 138.89,6 6.745,7 0.447,8 4.303,9 4.433,10 3.803,11 3.824,12 5.271,13 3.789,14 4.891,15 5.094,16 4.154,17 4.232,18 5.785,19 4.178,20 5.156,21 5.373,22 4.246,23 4.444,24 6.054,25 4.348,26 5.262,27 5.499,28 4.153,29 4.48,30 6.088,31 4.34,32 5.309,33 5.576,34 4.104,35 4.425,36 6.127,37 4.276,38 5.195,39 5.461,40 3.995,41 4.301,42 6.001,43 4.158,44 5.036,45 5.295,46 3.905,47 4.165,48 5.883,49 4.04,50 4.919,51 5.158,52 3.869,53 4.077,54 5.877,55 3.96,56 0.05,57 1,58 15.733,59 6.312,60 8.275,61 8.932,62 0.339,63 1.671,64 30.218,65 9.862,66 23.247,67 14.671,68 0.571,69 2.068,70 39.724,71 14.052,72 43.023,73 20.268,74 0.312,75 2.165,76 43.888,77 16.881,78 38.504,79 24.079,80 0.512,81 2.142,82 47.207,83 17.146,84 56.224,85 24.722,86 0.44,87 1.917,88 42.207,89 14.925,90 45.208,91 21.61,92 0.343,93 1.662,94 35.911,95 12.424,96 37.693,97 18.011,98 0.386,99 1.478,100 31.778,101 11.511,102 44.84,103 16.263,104 10,105 53,106 0.223,107 0.474,108 0.642,109 0.775,110 0.84,111 0.84,112 3.56,113 0.968,114 -4.25,115 -4.19,116 -3.96,119 41.2,120 1,124 1,125 9,140 10,141 3,142 3,156 1,169 12,171 1,172 6,178 14,181 4,182 8,189 12,193 4,199 4,202 2,203 11,211 1,214 1,215 11,226 7,236 3,237 12,249 8,259 2088,260 23.292,261 23.292,262 23.292,263 23.292,264 23.292,265 21.148,266 29.722,267 13.696,268 23.831,269 18.741,270 18.741,271 18.741,272 18.741,273 18.741,274 15.47,275 41.238,276 6.487,277 19.587,278 4.67,279 3.077,280 2.015,281 1.166,282 0.757,283 0.757,284 4.271,289 1,290 1107,291 3.162,295 538.74,299 165.04,302 2.194,303 21.814,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 72,315 500,316 4.558,317 3.742,318 6.702,319 4.122,320 3.146,321 4.479,322 2.055,323 10.889,324 3.076,325 4.273,326 3.287,327 6.451,328 3.963,329 3.007,330 3.839,331 0.933,332 9.941,333 2.879,334 3.954,335 3.218,336 6.018,337 3.718,338 2.758,339 3.218,340 0.8,341 8.538,342 2.639,343 3.823,344 2.896,345 5.797,346 3.559,347 2.617,348 3.091,349 0.8,350 7.96,351 2.459,352 3.583,353 2.679,354 5.257,355 3.258,356 2.328,357 2.917,358 0.8,359 6.661,360 2.161,361 3.339,362 2.491,363 5.075,364 3.1,365 2.158,366 2.44,367 0.51,368 6.041,369 2.032,370 3.306,371 2.411,372 5.045,373 3.044,374 2.081,375 2.416,377 5.835,378 1.993,379 2.929,380 2.106,381 4.581,382 2.516,383 1.549,384 2.121,386 4.487,387 1.494,388 2.863,389 1.665,390 4.223,391 2.474,392 1.503,393 2.016,395 3.87,396 1.45,397 2.783,398 1.531,399 3.984,400 2.414,401 1.414,402 1.836,404 3.334,405 1.414,406 2.748,407 1.5,408 3.865,409 2.387,410 1.393,411 1.777,413 3.086,414 1.38,415 2.361,416 1.333,417 3.581,418 2.039,419 1.074,420 1.322,422 2.719,423 1.032,424 2.24,425 1.203,426 3.414,427 1.967,428 1,429 1.14,431 2.275,432 0.965,433 2,434 1.146,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 1.146,444 3.38,445 1.812,446 0.827,447 1,449 2.016,450 0.813,451 16.267,452 0.478,453 0.763,454 0.022,455 41.75,456 1.228,457 19,458 0.559,459 22.75,460 0.669,461 31.757,462 0.934,463 37.133,464 0.546,465 32.264,466 0.949,467 8.365,468 0.246,469 8.216,470 0.242,471 0.082,473 0.314,479 0.814,480 1.531,481 0.86,482 1.216,483 0.591,484 1.068,485 1.292,486 1.033,487 0.989,488 0.859,489 0.665,490 0.865,491 1.097,492 0.944,493 1.098,494 0.982,495 0.934,496 1.022,497 0.962,498 1.16,499 1.083,500 1.195,501 1.176,502 1.164,503 1.022,504 0.964,505 0.954,506 0.99,507 1.126,508 0.976,509 1.153,510 0.995,511 0.98,512 0.99,513 1.028,514 0.976,515 1.285,516 0.991,517 0.991,518 0.971,519 1.126,520 0.953,521 1.168,522 1.059,523 0.996,524 1.098,525 1.371,526 1.049,527 6,528 0.136,529 4.444,530 2,531 1.653,532 1.056,533 0.763,534 0.472,535 0.378,536 0.275,537 19434,538 39859,539 2.145,540 50,541 3,542 31,550 1.755,551 2.04,552 3.805,553 -0.817,559 96.368,560 1.417,561 3.011,562 4.073,563 4.922,564 5.33,565 5.33,566 3.264,567 4.735,568 5.06,569 3.997,570 2242.18,571 8.845,572 35700.2,577 413.947,578 1.286,579 5.033,580 0.158,581 0.005,582 0.084,583 0.036,584 0.034,585 0.023,586 0.019,587 0.012,588 0.01,589 0.009,590 0.389,591 0.33,592 0.88,593 0.459,594 185.337,595 0.037,596 -0.307,597 0.09,598 -0.118,599 0.004,600 -0.029,601 -0.094,602 0.137,603 0.02,604 0.116,605 0.017,606 0.092,607 0.042,608 0.15,609 -0.102,610 0.011,611 0.033,612 -0.047,613 -0.049,614 -0.167,615 -0.116,616 -0.171,617 -0.085,618 -0.154,619 0.055,620 -0.032,621 0.039,622 -0.004,623 0.001,624 0.011,625 -0.006,626 -0.055,627 0.021,628 -0.015,629 -0.014,630 0.001,631 -0.076,632 -0.025,633 0.017,634 -0.002,635 -0.011,636 0.017,637 0.133,638 -0.091,639 0.013,640 -0.104,641 0.139,642 -0.069,643 1.614,644 5.86,645 0.824,646 39.813,647 0.99,648 1.127,649 3.021,650 9.125,651 0.652,652 3.664,653 3.989,654 4.277,655 4.522,656 4.787,657 4.828,658 4.977,659 5.081,660 5.159,661 5.198,662 8.463,663 0.609,664 458.66,665 3.664,666 5.209,667 6.066,668 6.94,669 7.811,670 8.689,671 9.564,672 10.444,673 11.323,674 12.204,675 5.9,678 1,681 2,682 1,687 2,688 10,693 4,695 17,709 2,712 1,714 68,716 18,717 3,718 38,720 72,721 28,722 16,723 6,724 10,730 5,731 6,736 1,745 17,746 11,750 1,755 1,759 1,764 34,765 6,767 6,773 4,777 0.8,778 2,793 5,797 1,806 1,815 1,819 4,823 2,827 34,833 9,835 1,838 4,847 2.9,850 1,852 1,854 16.667,855 12.717,856 7.417,857 4.213,858 3.266,859 1.389,860 0.998,861 7.047,862 11.668,863 3.882,864 4.443,865 5.002,866 5.545,867 6.107,868 6.327,869 6.702,870 7.059,871 7.392,872 7.402,873 0.9,874 56,875 12.646,877 5.34,878 7.49,879 24.997,881 20.934,883 1.99,884 67.667,888 400.217,889 157.215,890 12.497,892 36.145,895 157.215,896 436.362,897 12.497,898 17.222,899 24.562,900 94.762,901 29.85,902 39.461,904 400.217,906 400.217,907 169.712,908 36.145,911 400.217,912 36.145,915 36.512,916 133.201,919 400.217,920 48.642,921 157.215,924 400.217,925 45.231,926 124.481,928 36.145,929 400.217,930 48.642,931 157.215,933 0.583,934 0.345,935 0.183,936 0.103,937 26,938 11,939 0.069,940 5,941 1,942 1.071,943 4.602,944 317.62,945 0.071,946 28,947 160.974,951 23.159,952 10.346,953 5.248,954 2.381,955 48.642,956 21.043,961 4.534,964 606.075,965 47.5,970 12.86,974 0.053,975 67.316,976 76.64,977 0.233,978 0.495,979 0.669,980 0.808,981 0.876,982 0.876,983 5.131,984 1.549,985 6.043,986 5.835,987 4.673,988 5.13,989 2.581,990 6.845,991 4.59,992 6.307,993 1.503,994 7.596,995 4.487,996 4.205,997 4.879,998 1.865,999 7.735,1000 4.07,1001 7.599,1002 1.414,1003 9.25,1004 3.87,1005 6.26,1006 7.275,1007 3.36,1008 10.831,1009 6.094,1010 8.925,1011 1.393,1012 10.965,1013 3.334,1014 6.621,1015 7.891,1016 3.319,1017 12.57,1018 6.412,1019 10.287,1020 1.074,1021 12.719,1022 3.086,1023 8.125,1024 9.769,1025 4.565,1026 15.177,1027 7.887,1028 11.673,1029 1,1030 14.5,1031 2.719,1032 8.876,1033 10.813,1034 4.857,1035 17.266,1036 8.604,1037 13.078,1038 1,1039 16.301,1040 2.275,1041 10.149,1042 12.472,1043 5.902,1044 19.708,1045 9.85,1046 3.146,1047 0.827,1048 18.118,1049 2.275,1050 11.089,1051 13.737,1052 6.371,1053 21.948,1054 10.762,1055 3.007,1056 10.889,1057 19.946,1058 2.016,1059 12.265,1060 15.298,1061 7.287,1062 24.334,1063 11.913,1064 2.758,1065 9.941,1066 21.783,1067 4.479,1068 13.297,1069 16.674,1070 7.856,1071 26.641,1072 12.92,1073 2.617,1074 8.538,1075 23.628,1076 3.839,1077 14.434,1078 18.192,1079 8.696,1080 29.01,1081 14.034,1082 2.328,1083 7.96,1084 25.48,1085 3.218,1086 15.511,1087 19.626,1088 9.324,1089 31.349,1090 15.087,1091 2.158,1092 6.661,1093 27.336,1094 3.091,1095 16.636,1096 21.127,1097 10.117,1098 33.715,1099 16.188,1100 2.081,1101 6.041,1102 29.197,1103 2.917,1104 17.735,1105 22.589,1106 10.781,1107 36.07,1108 17.265,1109 17937,1110 25845,1111 25.948,1112 44.353,1113 57.088,1114 57.794,1115 58.474,1116 56.711,1117 56.692,1118 70.399,1119 11.797,1120 162.165,1121 54.399,1122 5.558,1123 5.742,1124 6.387,1125 5.199,1126 5.146,1127 7.479,1128 3.661,1129 18.043,1130 5.076,1131 13.918,1132 1.502,1133 1.521,1134 1.539,1135 1.492,1136 1.492,1137 1.853,1138 0.31,1139 4.268,1140 1.432,1141 4.108,1142 4.133,1143 4.064,1144 4.051,1145 7.427,1146 4.051,1147 3.969,1148 4.013,1149 3.902,1150 3.879,1151 4.937,1152 3.879,1153 3.793,1154 3.864,1155 3.689,1156 3.597,1157 4.753,1158 3.608,1159 3.763,1160 3.814,1161 3.664,1162 3.581,1163 4.555,1164 3.595,1165 3.521,1166 3.555,1167 3.428,1168 3.383,1169 4.358,1170 3.386,1171 3.356,1172 3.402,1173 3.257,1174 3.162,1175 4.263,1176 3.181,1177 3.203,1178 3.295,1179 3.058,1180 3.023,1181 4.063,1182 3.007,1183 3.17,1184 3.257,1185 2.964,1186 3.005,1187 3.897,1188 2.997,1189 0.12,1190 0.098,1191 0.176,1192 0.108,1193 0.083,1194 4.558,1195 0.118,1196 3.742,1197 0.054,1198 6.702,1199 0.287,1200 4.122,1201 0.081,1202 3.146,1203 4.479,1204 2.055,1205 10.889,1206 3.076,1207 2.074,1208 2.056,1209 2.15,1210 2.149,1211 1.349,1212 2.15,1213 1.937,1214 1.903,1215 2.065,1216 2.069,1217 1.306,1218 2.069,1219 1.747,1220 1.678,1221 1.959,1222 1.965,1223 1.216,1224 1.969,1225 1.715,1226 1.654,1227 1.911,1228 1.906,1229 1.094,1230 1.911,1231 1.483,1232 1.449,1233 1.655,1234 1.669,1235 0.825,1236 1.662,1237 1.301,1238 1.258,1239 1.553,1240 1.52,1241 0.825,1242 1.527,1243 1.208,1244 1.128,1245 1.544,1246 1.441,1247 0.763,1248 1.47,1249 1.184,1250 1.096,1251 1.513,1252 1.418,1253 0.673,1254 1.469,1255 4.344,1257 5.666,1259 7.194,1261 8.809,1263 10.47,1265 4.311,1271 7.399,1273 5.988,1276 9.1,1280 41.417,1281 96.368,1282 204.715,1283 276.954,1284 334.663,1285 362.438,1286 362.438,1287 50.508,1288 8.402,1289 39.26,1290 39.26,1291 30,1292 12.74,1293 4.248,1294 3.392,1295 50.329,1296 176,1297 158,1298 0.137,1299 251.212,1300 436.28,1301 604.718,1302 64394,1304 23.493,1305 0.691,1306 0.595,1307 23.493,1308 20.243,1309 16.581,1310 0.436,1311 0.323,1312 12.088,1313 15.973,1314 11.745,1315 9.688,1316 16.581,1317 12.258,1318 14.873,1319 0.281,1320 0.177,1321 14.873,1322 9.393,1323 12.92,1324 0.182,1325 0.1,1326 12.92,1327 7.125,1328 10.555,1329 0.116,1330 0.055,1331 10.555,1332 4.999,1333 8.954,1334 0.075,1335 0.03,1336 8.954,1337 3.624,1338 0.223,1339 103.39,1340 0.196,1341 31.999,1342 0.358,1343 182,1344 450.052,1345 196.75,1346 434.649,1347 605.94,1348 412,1349 215,1350 450.302,1351 231.749,1352 457.616,1353 671.32,1354 431,1355 9.161} {0 CHEMBL341854,1 1.428,2 15.676,3 3.172,4 10.059,5 138.177,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.296,13 3.787,14 4.876,15 5.074,16 4.119,17 4.249,18 5.771,19 4.177,20 5.162,21 5.41,22 4.106,23 4.404,24 5.952,25 4.273,26 5.264,27 5.537,28 4.051,29 4.422,30 6.011,31 4.265,32 5.264,33 5.543,34 4.045,35 4.395,36 6.02,37 4.236,38 5.244,39 5.52,40 4,41 4.349,42 6.028,43 4.192,44 5.169,45 5.459,46 3.927,47 4.265,48 5.917,49 4.107,50 5.041,51 5.325,52 3.811,53 4.166,54 5.767,55 4.007,56 0.103,57 1.046,58 15.933,59 6.109,60 12.556,61 8.832,62 0.29,63 1.709,64 29.322,65 10.121,66 25.711,67 15.132,68 0.354,69 2.048,70 39.705,71 14.155,72 35.728,73 21.301,74 0.378,75 2.143,76 44.54,77 15.785,78 41.809,79 23.743,80 0.332,81 2.074,82 44.668,83 16.154,84 42.789,85 24.053,86 0.447,87 2.032,88 44.182,89 15.219,90 47.482,91 22.719,92 0.449,93 1.884,94 41.16,95 13.895,96 44.513,97 21.157,98 0.321,99 1.728,100 35.805,101 11.916,102 30.232,103 18.497,104 3,105 51,106 0.224,107 0.576,108 0.778,109 0.843,110 0.868,111 0.868,112 3.56,113 0.974,114 -4.52,115 -4.44,116 -4.19,119 39.7,121 4,125 5,127 2,140 8,141 4,146 1,149 1,150 1,158 1,164 1,169 13,171 2,172 4,176 6,178 14,182 4,185 1,186 6,189 9,193 6,195 1,197 6,199 8,203 6,208 5,211 9,215 6,218 2,220 2,222 7,226 7,229 2,231 1,233 4,237 5,240 1,242 3,244 3,248 1,249 2,254 2,256 7,259 2164,260 23.817,261 23.817,262 23.817,263 23.817,264 23.817,265 21.339,266 30.547,267 14.37,268 24.23,269 18.763,270 18.763,271 18.763,272 18.763,273 18.763,274 15.132,275 48.673,276 6.805,277 19.446,278 4.66,279 2.423,280 1.137,281 0.721,282 0.559,283 0.559,284 4.272,289 1,290 1182,291 3.606,294 191.197,295 357.367,298 160.85,302 2.46,303 19.627,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 72,315 533,316 4.552,317 3.184,318 6.547,319 4.083,320 3.095,321 4.504,322 0.8,323 10.364,324 3.056,325 4.082,326 3.179,327 6.157,328 3.85,329 2.876,330 3.55,331 0.657,332 9.114,333 2.803,334 3.979,335 2.874,336 5.566,337 3.581,338 2.629,339 3.522,340 0.522,341 7.642,342 2.509,343 3.652,344 2.835,345 5.478,346 3.554,347 2.602,348 3.056,350 7.335,351 2.481,352 3.609,353 2.397,354 5.161,355 3.194,356 2.224,357 2.689,359 6.38,360 2.151,361 3.347,362 2.321,363 5.119,364 3.121,365 2.168,366 2.655,368 6.2,369 2.054,370 3.274,371 2.08,372 4.996,373 2.911,374 1.936,375 2.393,377 5.81,378 1.884,379 3.029,380 1.896,381 4.375,382 2.76,383 1.779,384 2.109,386 4.272,387 1.742,388 2.746,389 1.377,390 4.157,391 2.316,392 1.333,393 1.851,395 3.534,396 1.31,397 2.586,398 1.347,399 3.502,400 2.149,401 1.196,402 1.62,404 2.662,405 1.139,406 2.5,407 1.262,408 3.466,409 2.109,410 1.156,411 1.5,413 2.59,414 1.095,415 2.474,416 1.13,417 3.421,418 2.029,419 1.073,420 1.468,422 2.448,423 1.022,424 2.318,425 1.077,426 3.414,427 2,428 1,429 1.282,431 2.275,432 1,433 2.118,434 1,435 3.247,436 1.984,437 1,438 1,440 2.136,441 0.983,442 2.027,443 0.887,444 3.215,445 1.651,446 0.689,447 0.927,449 1.625,450 0.661,451 16.233,452 0.477,453 0.564,454 0.017,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 32.537,462 0.957,463 37.167,464 0.547,465 28.326,466 0.833,467 7.792,468 0.229,469 8.989,470 0.264,471 0.021,473 0.265,479 0.963,480 1.363,481 0.898,482 1.12,483 0.904,484 1.022,485 1.164,486 1.129,487 1.07,488 1.032,489 0.911,490 1.034,491 0.869,492 1.076,493 1.062,494 1.089,495 0.694,496 1.092,497 0.86,498 0.99,499 1.026,500 1.058,501 0.745,502 1.058,503 0.855,504 1.014,505 0.913,506 1.034,507 0.953,508 0.995,509 1.101,510 0.979,511 1.015,512 1.022,513 1.313,514 1.021,515 0.936,516 0.921,517 0.914,518 0.904,519 1.016,520 0.912,521 0.832,522 1.037,523 1.021,524 1.032,525 0.6,526 1.037,527 5.5,528 0.102,529 2.889,530 1.639,531 1.182,532 0.751,533 0.572,534 0.379,535 0.233,536 0.108,537 21190,538 47150,539 2.182,540 50,541 2,542 20,543 1,544 2,545 3,547 2,548 4,550 1.753,551 2.125,552 3.899,553 0.782,559 97.082,560 1.428,561 3.665,562 4.951,563 5.367,564 5.529,565 5.529,566 3.388,567 4.499,568 5.06,569 4.12,570 2311.2,571 8.831,572 38531.6,577 413.947,578 1.012,579 5.053,580 0.145,581 0.004,582 0.057,583 0.034,584 0.027,585 0.017,586 0.014,587 0.01,588 0.007,589 0.004,590 0.318,591 0.17,592 0.88,593 0.449,594 187.981,595 0.02,596 -0.108,597 0.064,598 -0.012,599 -0.005,600 0.02,601 -0.101,602 0.043,603 -0.087,604 -0.005,605 -0.065,606 -0.039,607 -0.035,608 -0.042,609 -0.096,610 -0.072,611 0.01,612 -0.086,613 -0.03,614 -0.02,615 -0.057,616 -0.059,617 0.021,618 -0.059,619 0.021,620 -0.093,621 0.058,622 -0.026,623 0.055,624 0.013,625 -0.022,626 -0.044,627 -0.024,628 -0.039,629 -0.079,630 -0.036,631 0.042,632 0.003,633 0.074,634 0.068,635 -0.016,636 0.07,637 -0.025,638 -0.057,639 -0.045,640 -0.064,641 -0.02,642 -0.056,643 1.366,644 3.842,645 0.765,646 44.076,647 0.99,648 1.133,649 3.289,650 10.82,651 0.649,652 3.664,653 3.951,654 4.22,655 4.466,656 4.625,657 4.654,658 4.804,659 4.934,660 4.977,661 5.043,662 9.206,663 0.606,664 458.67,665 3.664,666 5.187,667 6.028,668 6.887,669 7.74,670 8.603,671 9.462,672 10.327,673 11.19,674 12.057,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 16,746 11,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 34,832 1,833 9,834 1,837 2,838 1,844 1,847 1.5,848 1,854 16,855 11.583,856 7.583,857 4.216,858 3.479,859 1.421,860 0.982,861 7.592,862 11.748,863 3.902,864 4.454,865 5.016,866 5.579,867 5.977,868 6.211,869 6.628,870 7.02,871 7.15,872 7.447,873 1,874 48,875 12.594,877 5.306,878 7.485,879 24.974,881 21.066,883 1.985,884 67.5,888 364.904,889 134.929,890 73.146,892 42.683,895 134.929,896 407.588,897 73.146,899 18.561,900 145.551,901 65.609,902 42.435,903 13.915,904 329.591,906 364.904,907 208.075,908 42.683,911 294.278,912 70.627,913 42.683,915 75.495,916 99.131,917 33.449,919 364.904,920 115.829,921 134.929,924 364.904,925 32.835,926 106.995,927 34.796,928 76.132,929 364.904,930 115.829,931 134.929,933 0.568,934 0.334,935 0.184,936 0.094,937 24,938 9,939 0.139,940 10,941 1,942 1.077,943 4.805,944 304.435,945 0.077,946 26,947 162.974,951 23.097,952 11.175,953 5.892,954 2.512,955 97.267,956 22.366,957 8.255,958 3.429,961 3.793,962 1.856,963 77.48,964 615.663,965 48.5,975 67.309,976 77.012,977 0.235,978 0.602,979 0.813,980 0.882,981 0.908,982 0.908,983 5.119,984 1.779,985 5.974,986 5.81,987 4.635,988 5.142,989 1.214,990 6.73,991 4.568,992 6.278,993 1.333,994 7.489,995 4.272,996 4.007,997 4.732,998 0.325,999 7.496,1000 3.921,1001 7.551,1002 1.196,1003 9.103,1004 3.534,1005 6.172,1006 7.278,1007 0.684,1008 10.582,1009 6.049,1010 8.86,1011 1.156,1012 10.777,1013 2.662,1014 6.431,1015 7.827,1016 0.268,1017 12.227,1018 6.29,1019 10.207,1020 1.073,1021 12.492,1022 2.59,1023 7.976,1024 9.758,1025 0.387,1026 14.79,1027 7.809,1028 11.579,1029 1,1030 14.235,1031 2.448,1032 8.655,1033 10.781,1034 0.188,1035 16.809,1036 8.473,1037 12.973,1038 1,1039 16,1040 2.275,1041 9.939,1042 12.456,1043 0.223,1044 19.2,1045 9.738,1046 3.095,1047 0.689,1048 17.78,1049 2.136,1050 10.828,1051 13.721,1052 0.125,1053 21.385,1054 10.615,1055 2.876,1056 10.364,1057 19.574,1058 1.625,1059 11.999,1060 15.287,1061 0.132,1062 23.72,1063 11.771,1064 2.629,1065 9.114,1066 21.378,1067 4.504,1068 12.994,1069 16.674,1070 0.082,1071 25.98,1072 12.756,1073 2.602,1074 7.642,1075 23.191,1076 3.55,1077 14.119,1078 18.197,1079 0.079,1080 28.301,1081 13.868,1082 2.224,1083 7.335,1084 25.012,1085 3.522,1086 15.167,1087 19.643,1088 0.054,1089 30.594,1090 14.908,1091 2.168,1092 6.38,1093 26.84,1094 3.056,1095 16.275,1096 21.15,1097 0.049,1098 32.914,1099 16.005,1100 1.936,1101 6.2,1102 28.673,1103 2.689,1104 17.352,1105 22.625,1106 0.035,1107 35.224,1108 17.073,1109 19448,1110 29167,1111 26.523,1112 44.148,1113 56.044,1114 55.972,1115 56.254,1116 55.57,1117 55.646,1118 70.99,1119 3.958,1120 153.175,1121 53.713,1122 5.552,1123 5.184,1124 6.349,1125 5.134,1126 5.095,1127 7.504,1128 1.457,1129 17.024,1130 5.056,1131 8.208,1132 1.475,1133 1.473,1134 1.48,1135 1.462,1136 1.464,1137 1.868,1138 0.104,1139 4.031,1140 1.414,1141 4.147,1142 4.184,1143 4.102,1144 4.063,1145 6.456,1146 4.068,1147 3.958,1148 4.004,1149 3.877,1150 3.874,1151 5.09,1152 3.87,1153 3.861,1154 3.942,1155 3.814,1156 3.701,1157 4.946,1158 3.699,1159 3.837,1160 3.893,1161 3.726,1162 3.596,1163 4.753,1164 3.636,1165 3.573,1166 3.638,1167 3.443,1168 3.432,1169 4.385,1170 3.431,1171 3.452,1172 3.511,1173 3.335,1174 3.273,1175 4.284,1176 3.28,1177 3.359,1178 3.427,1179 3.215,1180 3.19,1181 4.078,1182 3.189,1183 3.111,1184 3.206,1185 2.932,1186 2.941,1187 3.876,1188 2.91,1189 0.12,1190 0.084,1191 0.172,1192 0.107,1193 0.081,1194 4.552,1195 0.119,1196 3.184,1197 0.021,1198 6.547,1199 0.273,1200 4.083,1201 0.08,1202 3.095,1203 4.504,1204 0.8,1205 10.364,1206 3.056,1207 1.968,1208 1.944,1209 2.084,1210 2.07,1211 1.431,1212 2.079,1213 1.932,1214 1.899,1215 2.056,1216 2.047,1217 1.293,1218 2.051,1219 1.832,1220 1.772,1221 2.015,1222 1.98,1223 1.195,1224 1.995,1225 1.665,1226 1.609,1227 1.877,1228 1.83,1229 1.148,1230 1.848,1231 1.464,1232 1.387,1233 1.66,1234 1.746,1235 0.841,1236 1.713,1237 1.429,1238 1.367,1239 1.624,1240 1.662,1241 0.825,1242 1.663,1243 1.322,1244 1.255,1245 1.551,1246 1.545,1247 0.796,1248 1.554,1249 1.211,1250 1.132,1251 1.513,1252 1.494,1253 0.733,1254 1.463,1255 4.344,1257 5.638,1258 3.045,1259 7.119,1260 5.283,1261 8.682,1262 7.273,1263 10.29,1270 9.842,1271 8.707,1272 3.671,1275 0.486,1276 2.583,1280 41.218,1281 97.082,1282 249.191,1283 336.663,1284 364.928,1285 375.947,1286 375.947,1287 49.463,1288 8.269,1289 82,1290 82,1291 28,1292 12.603,1293 4.459,1294 3.524,1295 50.451,1296 193,1297 162,1298 0.125,1299 251.212,1300 421.29,1301 604.718,1302 57094,1304 23.167,1305 0.681,1306 0.577,1307 23.167,1308 19.606,1309 16.78,1310 0.442,1311 0.325,1312 12.189,1313 16.224,1314 11.963,1315 9.875,1316 16.78,1317 12.338,1318 14.446,1319 0.283,1320 0.183,1321 14.446,1322 9.319,1323 12.442,1324 0.186,1325 0.104,1326 12.442,1327 6.972,1328 10.378,1329 0.121,1330 0.059,1331 10.378,1332 5.073,1333 8.02,1334 0.079,1335 0.036,1336 8.02,1337 3.588,1338 0.206,1339 104.43,1340 0.194,1341 32.482,1342 0.316,1343 178,1344 417.396,1345 190.596,1346 411.515,1347 573.83,1348 390,1349 207,1350 425.864,1351 221.04,1352 435.134,1353 630.89,1354 410,1355 7.567} {0 CHEMBL341897,1 1.495,2 15.576,3 3.623,4 13.125,5 136.12,6 6.793,7 0.444,8 4.302,9 4.433,10 3.918,11 3.86,12 5.211,13 3.787,14 4.897,15 5.091,16 4.176,17 4.274,18 5.934,19 4.174,20 5.198,21 5.437,22 4.171,23 4.438,24 6.065,25 4.293,26 5.283,27 5.546,28 4.086,29 4.448,30 6.107,31 4.27,32 5.279,33 5.565,34 4.028,35 4.402,36 6.032,37 4.212,38 5.212,39 5.493,40 4.023,41 4.348,42 5.96,43 4.161,44 5.16,45 5.445,46 3.983,47 4.276,48 5.96,49 4.1,50 5.064,51 5.333,52 3.794,53 4.177,54 5.878,55 4.001,56 0.132,57 1.038,58 19.792,59 6.917,60 16.241,61 9.509,62 0.43,63 1.695,64 33.756,65 11.801,66 59.622,67 16.473,68 0.392,69 2.092,70 45.263,71 15.728,72 53.608,73 22.074,74 0.426,75 2.169,76 48.589,77 17.341,78 62.324,79 24.458,80 0.353,81 2.089,82 47.824,83 17.399,84 52.52,85 24.795,86 0.358,87 2.001,88 44.929,89 15.9,90 42.597,91 22.971,92 0.424,93 1.885,94 44.475,95 15.323,96 48.391,97 21.726,98 0.397,99 1.718,100 39.37,101 12.986,102 50.923,103 18.695,104 20,105 50,106 0.235,107 0.542,108 0.763,109 0.827,110 0.853,111 0.853,112 3.531,113 1.135,114 -3.45,115 -3.43,116 -3.28,119 37.7,120 1,121 4,124 1,125 4,127 2,140 8,141 4,149 1,150 1,169 13,171 1,172 3,174 2,176 7,178 15,182 3,186 6,189 11,193 5,195 1,197 6,199 12,203 5,208 3,211 10,215 5,218 1,220 2,222 7,226 6,229 2,230 1,231 2,233 4,237 5,242 4,244 4,249 1,254 1,256 8,259 2015,260 22.248,261 22.248,262 22.248,263 22.248,264 22.248,265 20.054,266 28.341,267 13.077,268 22.603,269 17.702,270 17.702,271 17.702,272 17.702,273 17.702,274 14.289,275 42.376,276 6.166,277 18.305,278 4.613,279 2.661,280 1.258,281 0.848,282 0.689,283 0.689,284 4.226,289 1,290 1105,291 4.301,294 86.962,295 349.668,298 158.054,302 2.437,303 27.033,306 1,307 0.67,308 0.83,309 1,310 0.5,311 1,312 1,313 0.86,314 70,315 514,316 4.7,317 4.502,318 6.731,319 4.158,320 3.221,321 4.535,322 1.416,323 10.966,324 3.067,325 4.536,326 3.159,327 6.54,328 4.04,329 3.065,330 4.448,331 0.8,332 10.334,333 2.914,334 4.059,335 3.132,336 6.051,337 3.815,338 2.84,339 3.54,340 0.657,341 8.695,342 2.773,343 3.66,344 2.864,345 5.477,346 3.554,347 2.599,348 3.072,350 7.326,351 2.483,352 3.635,353 2.461,354 5.26,355 3.263,356 2.267,357 2.686,359 6.642,360 2.258,361 3.344,362 2.385,363 5.134,364 3.13,365 2.18,366 2.651,368 6.367,369 2.063,370 3.257,371 2.092,372 5.079,373 2.913,374 1.935,375 2.361,377 5.89,378 1.888,379 3.004,380 1.789,381 4.189,382 2.699,383 1.71,384 2.101,386 3.929,387 1.689,388 2.735,389 1.375,390 4.159,391 2.314,392 1.328,393 1.835,395 3.527,396 1.308,397 2.5,398 1.228,399 3.502,400 2.096,401 1.124,402 1.5,404 2.594,405 1.091,406 2.374,407 1.141,408 3.456,409 2,410 1.019,411 1.351,413 2.405,414 1,415 2.289,416 1.077,417 3.414,418 1.998,419 1,420 1.243,422 2.275,423 0.996,424 2.026,425 1.065,426 3.407,427 1.984,428 1,429 1,431 2.136,432 0.983,433 2,434 1,435 3.247,436 1.667,437 0.703,438 0.911,440 1.661,441 0.676,442 1.55,443 0.763,444 3.198,445 1.366,446 0.449,447 0.476,449 0.657,450 0.409,451 16.1,452 0.488,453 0.826,454 0.025,455 37.5,456 1.136,457 17,458 0.515,459 20.5,460 0.621,461 33.72,462 1.022,463 37.3,464 0.541,465 27.361,466 0.829,467 6.88,468 0.208,469 9.052,470 0.274,471 0.104,472 0.052,473 0.242,479 0.647,480 1.406,481 0.932,482 1.256,483 0.677,484 1.072,485 0.807,486 1.155,487 1.075,488 1.083,489 0.528,490 1.039,491 1.137,492 1.058,493 1.08,494 1.033,495 0.98,496 1.059,497 0.957,498 1.018,499 0.997,500 1.023,501 0.886,502 1.083,503 0.73,504 0.973,505 0.814,506 0.925,507 0.703,508 0.97,509 0.692,510 1.006,511 0.823,512 0.956,513 0.63,514 1.01,515 0.59,516 0.993,517 0.894,518 0.991,519 0.524,520 0.936,521 1.25,522 1.043,523 1.065,524 0.992,525 1.182,526 1.07,527 7.5,528 0.148,529 3.556,530 1.917,531 1.467,532 0.868,533 0.735,534 0.477,535 0.307,536 0.143,537 18291,538 42024,539 2.072,540 52.2,541 2,542 21,543 1,545 3,547 5,548 4,550 1.745,551 1.951,552 3.881,553 0.802,559 103.159,560 1.495,561 3.448,562 4.851,563 5.26,564 5.42,565 5.42,566 3.366,567 4.499,568 5.016,569 4.096,570 2162.48,571 8.743,572 35206.6,577 421.488,578 1.455,579 4.975,580 0.208,581 0.006,582 0.071,583 0.04,584 0.035,585 0.022,586 0.019,587 0.012,588 0.01,589 0.006,590 0.429,591 0.33,592 0.88,593 0.98,594 180.776,595 0.111,596 -0.113,597 0.201,598 -0.035,599 -0.126,600 0.035,601 0.188,602 0.018,603 -0.037,604 -0.018,605 0.275,606 -0.015,607 -0.141,608 -0.009,609 -0.11,610 -0.039,611 -0.047,612 -0.064,613 -0.067,614 -0.036,615 -0.086,616 -0.067,617 -0.018,618 -0.094,619 0.013,620 -0.049,621 0.054,622 0.008,623 0.022,624 0.019,625 0.04,626 -0.052,627 0.053,628 -0.023,629 -0.002,630 -0.024,631 0.185,632 -0.036,633 0.073,634 -0.018,635 0.132,636 0.05,637 -0.17,638 -0.061,639 -0.143,640 -0.071,641 -0.138,642 -0.111,643 4.185,644 4.9,645 0.636,646 42.309,647 0.99,648 1.13,649 2.223,650 4.943,651 0.649,652 3.611,653 3.932,654 4.143,655 4.357,656 4.543,657 4.564,658 4.727,659 4.82,660 4.804,661 4.852,662 9.039,663 0.596,664 468.73,665 3.611,666 5.153,667 5.984,668 6.853,669 7.698,670 8.57,671 9.423,672 10.296,673 11.153,674 12.028,675 5.8,677 2,678 1,683 1,687 2,688 9,690 1,693 3,695 16,714 69,716 18,717 2,718 36,720 72,721 26,722 14,723 4,724 8,730 4,731 5,736 1,740 3,743 6,745 14,746 12,750 2,753 1,755 2,764 36,765 5,766 3,767 7,768 1,773 4,777 0.75,778 2,788 1,792 1,793 3,796 1,814 1,815 1,819 3,821 1,823 2,827 33,830 1,833 8,834 2,837 2,838 1,847 2.9,850 2,854 16.917,855 12.367,856 7.25,857 4.307,858 2.967,859 1.372,860 0.985,861 7.998,862 10.951,863 3.85,864 4.44,865 4.901,866 5.444,867 5.912,868 6.139,869 6.559,870 6.89,871 6.819,872 6.971,873 1,874 48,875 12.438,877 5.407,878 7.604,879 24.32,881 20.678,883 2.104,884 69.417,888 388.446,889 139.515,890 54.326,892 44.313,894 5.807,895 133.708,896 432.759,897 54.326,898 17.222,899 17.355,900 125.081,901 44.313,902 32.04,903 13.915,904 376.675,906 388.446,907 188.033,908 44.313,909 5.807,911 282.506,912 150.253,915 80.506,916 107.528,917 5.807,919 388.446,920 98.639,921 139.515,923 5.807,924 388.446,925 31.629,926 105.203,927 51.201,928 44.313,929 388.446,930 98.639,931 139.515,933 0.581,934 0.329,935 0.165,936 0.088,937 23,938 10,939 0.139,940 10,941 1,942 1.095,943 4.569,944 287.002,945 0.095,946 21,947 156.465,950 1,951 24.122,952 10.942,953 6.527,954 2.201,955 81.853,956 18.619,958 3.331,961 3.435,963 51.201,964 626.6,965 46,968 -3.269,970 23.801,975 68.276,976 77.975,977 0.245,978 0.564,979 0.794,980 0.861,981 0.887,982 0.887,983 5.094,984 1.71,985 5.984,986 5.89,987 4.615,988 5.127,989 1.922,990 6.783,991 4.549,992 6.301,993 1.328,994 7.541,995 3.929,996 4.29,997 5.147,998 0.325,999 7.854,1000 4.162,1001 7.63,1002 1.124,1003 9.202,1004 3.527,1005 6.248,1006 7.396,1007 2.291,1008 10.814,1009 6.101,1010 9,1011 1.019,1012 10.927,1013 2.594,1014 6.735,1015 8.269,1016 0.268,1017 12.685,1018 6.515,1019 10.409,1020 1,1021 12.692,1022 2.405,1023 8.178,1024 10.044,1025 2.867,1026 15.22,1027 7.939,1028 11.843,1029 1,1030 14.485,1031 2.275,1032 9.019,1033 11.272,1034 0.188,1035 17.394,1036 8.71,1037 13.297,1038 0.703,1039 16.299,1040 2.136,1041 10.269,1042 12.88,1043 3.515,1044 19.807,1045 9.931,1046 3.221,1047 0.449,1048 18.127,1049 1.661,1050 11.272,1051 14.262,1052 0.125,1053 22.099,1054 10.869,1055 3.065,1056 10.966,1057 19.966,1058 0.657,1059 12.447,1060 15.805,1061 4.191,1062 24.478,1063 12.008,1064 2.84,1065 10.334,1066 21.815,1067 4.535,1068 13.524,1069 17.254,1070 0.082,1071 26.817,1072 13.025,1073 2.599,1074 8.695,1075 23.671,1076 4.448,1077 14.674,1078 18.772,1079 4.878,1080 29.189,1081 14.133,1082 2.267,1083 7.326,1084 25.533,1085 3.54,1086 15.786,1087 20.25,1088 0.054,1089 31.548,1090 15.189,1091 2.18,1092 6.642,1093 27.4,1094 3.072,1095 16.928,1096 21.758,1097 5.57,1098 33.92,1099 16.285,1100 1.935,1101 6.367,1102 29.272,1103 2.686,1104 18.057,1105 23.25,1106 0.035,1107 36.289,1108 17.36,1109 17378,1110 26595,1111 24.038,1112 44.762,1113 53.069,1114 54.433,1115 54.363,1116 53.21,1117 53.184,1118 67.747,1119 5.747,1120 151.51,1121 51.487,1122 5.7,1123 6.502,1124 6.533,1125 5.197,1126 5.221,1127 7.535,1128 2.833,1129 17.628,1130 5.067,1131 16.044,1132 1.474,1133 1.512,1134 1.51,1135 1.478,1136 1.477,1137 1.882,1138 0.16,1139 4.209,1140 1.43,1141 4.159,1142 4.185,1143 4.723,1144 4.099,1145 7.716,1146 4.08,1147 3.956,1148 4.004,1149 4.078,1150 3.889,1151 6.999,1152 3.869,1153 3.938,1154 3.912,1155 3.872,1156 3.875,1157 4.957,1158 3.771,1159 3.838,1160 3.889,1161 3.726,1162 3.7,1163 4.763,1164 3.697,1165 3.566,1166 3.632,1167 3.438,1168 3.444,1169 4.397,1170 3.424,1171 3.426,1172 3.497,1173 3.307,1174 3.269,1175 4.286,1176 3.261,1177 3.334,1178 3.411,1179 3.18,1180 3.176,1181 4.148,1182 3.164,1183 3.128,1184 3.21,1185 2.924,1186 2.941,1187 4.129,1188 2.91,1189 0.131,1190 0.125,1191 0.187,1192 0.116,1193 0.089,1194 4.7,1195 0.126,1196 4.502,1197 0.039,1198 6.731,1199 0.305,1200 4.158,1201 0.085,1202 3.221,1203 4.535,1204 1.416,1205 10.966,1206 3.067,1207 1.986,1208 1.976,1209 2.088,1210 2.071,1211 1.431,1212 2.087,1213 1.934,1214 1.9,1215 2.052,1216 2.051,1217 1.312,1218 2.071,1219 1.833,1220 1.777,1221 2.015,1222 1.98,1223 1.21,1224 1.998,1225 1.697,1226 1.708,1227 1.875,1228 1.839,1229 1.167,1230 1.884,1231 1.64,1232 1.596,1233 1.715,1234 1.827,1235 0.947,1236 1.841,1237 1.443,1238 1.37,1239 1.675,1240 1.658,1241 0.835,1242 1.676,1243 1.339,1244 1.266,1245 1.581,1246 1.559,1247 0.825,1248 1.581,1249 1.183,1250 1.091,1251 1.513,1252 1.423,1253 0.745,1254 1.468,1255 4.29,1257 5.609,1258 2.398,1259 7.111,1260 4.727,1261 8.688,1262 6.823,1263 10.304,1265 3.709,1271 7.854,1272 6.195,1275 0.968,1276 2.575,1280 41.131,1281 103.159,1282 237.9,1283 334.694,1284 362.959,1285 373.978,1286 373.978,1287 64.996,1288 7.984,1289 77.23,1290 85.61,1291 23,1292 12.571,1293 4.248,1294 3.459,1295 54.871,1296 183,1297 165,1298 0.144,1299 256.407,1300 437.83,1301 617.392,1302 39362,1304 23.261,1305 0.705,1306 0.621,1307 23.511,1308 20.496,1309 15.932,1310 0.443,1311 0.378,1312 11.992,1313 14.685,1314 11.506,1315 9.557,1316 16.785,1317 13.62,1318 14.591,1319 0.292,1320 0.222,1321 15.952,1322 11.102,1323 11.782,1324 0.19,1325 0.131,1326 12.681,1327 8.128,1328 9.253,1329 0.12,1330 0.073,1331 9.808,1332 5.584,1333 7.362,1334 0.079,1335 0.043,1336 7.792,1337 3.984,1338 0.238,1339 107.131,1340 0.204,1341 31.661,1342 0.366,1343 172,1344 410.975,1345 216.758,1346 424.677,1347 579.45,1348 394,1349 198,1350 399.347,1351 249.049,1352 441.492,1353 635.13,1354 414,1355 7.367} {0 CHEMBL342323,1 1.583,2 29.724,3 7.375,4 54.388,5 232.459,6 7.274,7 0.508,8 4.811,9 4.929,10 4.492,11 4.374,12 5.8,13 4.314,14 5.379,15 5.546,16 4.752,17 4.774,18 6.542,19 4.686,20 5.663,21 5.888,22 4.792,23 4.912,24 6.631,25 4.787,26 5.709,27 5.93,28 4.718,29 4.894,30 6.737,31 4.766,32 5.698,33 5.942,34 4.611,35 4.832,36 6.661,37 4.685,38 5.631,39 5.878,40 4.551,41 4.783,42 6.519,43 4.62,44 5.576,45 5.81,46 4.578,47 4.753,48 6.565,49 4.595,50 5.568,51 5.799,52 4.514,53 4.715,54 6.57,55 4.571,56 0.21,57 1.686,58 31.761,59 11.559,60 34.928,61 14.759,62 0.679,63 2.668,64 51.59,65 20.019,66 114.789,67 25.934,68 0.591,69 3.275,70 76.477,71 27.173,72 99.71,73 34.958,74 0.795,75 3.337,76 79.075,77 26.823,78 138.179,79 34.699,80 0.922,81 3.213,82 76.405,83 26.255,84 133.204,85 34.966,86 0.744,87 3.012,88 73.195,89 25.364,90 105.93,91 33.321,92 0.848,93 2.895,94 72.479,95 24.764,96 120.835,97 31.64,98 0.786,99 2.821,100 71.964,101 23.772,102 133.155,103 30.523,104 45,105 86,106 0.222,107 0.505,108 0.658,109 0.74,110 0.75,111 0.75,112 4.079,113 1.104,114 -3.95,115 -3.9,116 -3.7,119 38.6,121 10,125 6,140 14,141 6,142 4,149 2,150 2,161 2,162 2,163 2,169 23,171 2,172 6,174 4,176 10,178 24,180 2,182 14,186 14,189 22,191 2,193 16,197 8,199 16,201 2,203 12,206 2,207 2,208 6,210 2,211 18,213 2,215 8,220 4,222 18,224 2,226 12,228 2,229 4,231 8,233 22,235 2,237 8,242 6,244 20,248 4,254 8,256 16,258 2,259 12104,260 39.531,261 39.531,262 39.531,263 39.531,264 39.531,265 35.362,266 26.471,267 23.947,268 40.291,269 31.073,270 31.073,271 31.073,272 31.073,273 31.073,274 24.468,275 17.197,276 11.237,277 32.334,278 5.25,279 3.239,280 2.152,281 1.561,282 1.491,283 1.491,284 4.785,290 3732,291 6.164,294 408.868,295 957.533,298 717.013,302 5.389,303 68.274,306 0.25,307 0.17,308 0.33,309 0.5,310 0.5,311 0.17,313 0.27,314 125,315 1724,316 4.848,317 4.684,318 7.293,319 4.299,320 3.379,321 4.702,322 0.86,323 12.406,324 3.083,325 4.842,326 4.683,327 7.292,328 4.289,329 3.372,330 4.694,331 0.86,332 12.404,333 3.061,334 4.55,335 3.186,336 6.546,337 4.076,338 3.092,339 4.504,341 10.36,342 3.042,343 4.55,344 3.186,345 6.546,346 4.076,347 3.092,348 4.504,350 10.36,351 3.042,352 4.199,353 2.831,354 6.137,355 3.817,356 2.82,357 3.817,359 9.036,360 2.805,361 3.715,362 2.774,363 5.317,364 3.327,365 2.387,366 3.129,368 6.863,369 2.242,370 3.715,371 2.774,372 5.317,373 3.327,374 2.387,375 3.129,377 6.863,378 2.242,379 3.557,380 2.172,381 5.096,382 3.049,383 2.053,384 3.053,386 5.914,387 2.043,388 3.346,389 2.172,390 5.096,391 2.952,392 1.98,393 2.675,395 5.914,396 1.915,397 3.346,398 2.096,399 4.977,400 2.951,401 1.979,402 2.675,404 5.629,405 1.913,406 3.195,407 1.982,408 4.879,409 2.849,410 1.864,411 2.457,413 5.118,414 1.833,415 2.867,416 1.881,417 4.327,418 2.818,419 1.827,420 1.89,422 3.816,423 1.808,424 2.86,425 1.802,426 4.159,427 2.696,428 1.706,429 1.883,431 3.722,432 1.686,433 2.745,434 1.672,435 4.159,436 2.421,437 1.459,438 1.838,440 3.631,441 1.398,442 2.743,443 1.556,444 3.87,445 2.384,446 1.417,447 1.826,449 3.505,450 1.365,451 28.067,452 0.484,453 1.267,454 0.022,455 70.5,456 1.216,457 35,458 0.603,459 35.5,460 0.612,461 62.327,462 1.075,463 64.933,464 0.57,465 63.677,466 1.098,467 12.937,468 0.223,469 15.226,470 0.263,471 0.076,472 0.059,473 0.214,479 0.692,480 1.255,481 0.9,482 1.214,483 0.75,484 1.002,485 0.787,486 1.12,487 0.948,488 1.06,489 0.579,490 1.057,491 0.998,492 1.029,493 1.038,494 1.05,495 0.794,496 0.955,497 1.308,498 1.083,499 1.156,500 1.096,501 1.281,502 1.07,503 1.122,504 0.965,505 0.999,506 0.982,507 1.186,508 1.032,509 1.126,510 0.973,511 1.033,512 0.985,513 0.961,514 1.016,515 1.074,516 1.023,517 1.18,518 1.119,519 1.034,520 1.062,521 1.289,522 1.067,523 1.193,524 1.143,525 1.43,526 1.083,527 11,528 0.412,529 7.111,530 3.458,531 2.151,532 1.806,533 1.205,534 0.748,535 0.449,536 0.366,537 108397,538 263451,539 2.073,540 49.1,541 8,542 26,543 2,545 8,547 12,550 1.875,551 1.966,552 4.755,553 4.103,559 180.503,560 1.583,561 3.593,562 4.681,563 5.271,564 5.342,565 5.342,566 4.185,567 4.582,568 5.825,569 5.042,570 8333.63,571 10.349,572 240594,577 778.949,578 1.376,579 5.794,580 0.175,581 0.007,582 0.083,583 0.039,584 0.027,585 0.026,586 0.019,587 0.012,588 0.007,589 0.006,590 0.401,591 0.17,592 0.38,593 0.775,594 386.495,595 0.053,596 0.01,597 0.197,598 -0.003,599 -0.149,600 0.064,601 0.169,602 0.004,603 0.008,604 -0.01,605 0.246,606 -0.04,607 -0.051,608 -0.012,609 0.026,610 0.02,611 0.034,612 0.063,613 -0.157,614 -0.074,615 -0.128,616 -0.079,617 -0.089,618 -0.083,619 -0.052,620 -0.001,621 -0.053,622 -0.028,623 -0.1,624 -0.052,625 -0.113,626 -0.013,627 -0.032,628 0.014,629 -0.087,630 -0.02,631 -0.009,632 -0.027,633 -0.067,634 -0.046,635 0.006,636 -0.057,637 -0.134,638 -0.087,639 -0.12,640 -0.101,641 -0.109,642 -0.088,643 4.577,644 5.924,645 0.517,646 155.658,647 0.998,648 1.127,649 2.719,650 7.395,651 0.659,652 4.159,653 4.466,654 4.71,655 4.92,656 5.094,657 5.187,658 5.303,659 5.293,660 5.252,661 5.342,662 16.961,663 0.614,664 829.2,665 4.159,666 5.7,667 6.538,668 7.407,669 8.263,670 9.139,671 10.004,672 10.884,673 11.754,674 12.635,675 5.3,676 2,677 2,683 2,687 4,688 16,690 2,693 8,695 32,712 2,714 114,716 36,717 4,718 63,720 119,721 44,722 28,723 10,724 14,730 6,731 8,736 2,743 10,745 28,746 16,750 4,753 2,755 4,764 56,765 10,766 8,767 14,768 2,773 6,777 0.667,778 6,788 2,792 2,793 4,796 2,812 2,819 4,821 2,827 58,828 2,830 2,833 16,834 2,835 2,847 5.3,850 4,852 2,854 29.5,855 19.333,856 12.972,857 7.132,858 5.943,859 1.616,860 1.003,861 15.99,862 15.586,863 4.431,864 5.053,865 5.612,866 6.18,867 6.681,868 7.012,869 7.422,870 7.65,871 7.664,872 7.965,873 0.95,874 88,875 22.059,877 9.803,878 7.756,879 41.872,881 35.067,883 2.256,884 130.833,888 565.013,889 241.095,890 132.175,892 110.626,894 11.615,895 229.48,896 675.639,897 132.175,899 108.747,900 195.187,901 88.626,902 87.047,903 27.83,904 541.471,906 565.013,907 361.655,908 110.626,909 11.615,911 423.76,912 251.879,915 175.128,916 186.527,917 11.615,919 565.013,920 242.801,921 241.095,923 11.615,924 565.013,925 78.718,926 150.762,927 66.381,928 176.42,929 565.013,930 242.801,931 241.095,933 0.571,934 0.329,935 0.173,936 0.092,937 36,938 16,939 0.21,940 25,941 2,942 1.133,943 6.9,944 582.212,945 0.133,946 30,947 269.763,950 2,951 43.55,952 21.295,953 12.261,954 4.412,955 209.23,956 29.247,958 6.533,961 5.972,963 132.175,964 1048.91,965 83,968 -7.321,970 51.697,975 113.817,976 128.466,977 0.232,978 0.526,979 0.685,980 0.771,981 0.782,982 0.782,983 5.663,984 2.053,985 6.529,986 6.863,987 5.153,988 5.743,989 1.376,990 7.356,991 5.075,992 6.886,993 1.98,994 8.103,995 5.914,996 4.796,997 5.811,999 8.547,1000 4.635,1001 8.231,1002 1.979,1003 9.799,1004 5.914,1005 6.804,1006 8.097,1007 1.159,1008 11.572,1009 6.627,1010 9.628,1011 1.864,1012 11.574,1013 5.629,1014 7.34,1015 9.042,1017 13.627,1018 7.061,1019 11.068,1020 1.827,1021 13.402,1022 5.118,1023 8.81,1024 10.833,1025 0.963,1026 16.248,1027 8.51,1028 12.538,1029 1.706,1030 15.266,1031 3.816,1032 9.731,1033 12.123,1035 18.591,1036 9.328,1037 14.03,1038 1.459,1039 17.156,1040 3.722,1041 11.011,1042 13.747,1043 0.787,1044 21.112,1045 10.571,1046 3.379,1047 1.417,1048 19.064,1049 3.631,1050 12.093,1051 15.178,1053 23.554,1054 11.558,1055 3.372,1056 12.406,1057 20.987,1058 3.505,1059 13.309,1060 16.741,1061 0.634,1062 26.054,1063 12.72,1064 3.092,1065 12.404,1066 22.92,1067 4.702,1068 14.456,1069 18.229,1071 28.533,1072 13.779,1073 3.092,1074 10.36,1075 24.862,1076 4.694,1077 15.653,1078 19.77,1079 0.504,1080 31.032,1081 14.909,1082 2.82,1083 10.36,1084 26.81,1085 4.504,1086 16.827,1087 21.283,1089 33.527,1090 15.999,1091 2.387,1092 9.036,1093 28.763,1094 4.504,1095 18.021,1096 22.817,1097 0.395,1098 36.03,1099 17.118,1100 2.387,1101 6.863,1102 30.722,1103 3.817,1104 19.209,1105 24.34,1107 38.533,1108 18.221,1109 100761,1110 157494,1111 42.296,1112 75.092,1113 92.044,1114 94.542,1115 94.608,1116 92.574,1117 92.549,1118 122.127,1119 3.44,1120 261.878,1121 89.096,1122 5.807,1123 6.684,1124 7.176,1125 5.374,1126 5.379,1127 7.702,1128 1.72,1129 19.589,1130 5.083,1131 28.786,1132 1.461,1133 1.501,1134 1.502,1135 1.469,1136 1.469,1137 1.939,1138 0.055,1139 4.157,1140 1.414,1141 4.174,1142 4.197,1143 4.745,1144 4.129,1145 7.72,1146 4.09,1147 4.112,1148 4.143,1149 4.725,1150 4.047,1151 7.713,1152 4.035,1153 4.101,1154 4.099,1155 4.105,1156 4.028,1157 6.999,1158 4.024,1159 4.024,1160 3.991,1161 4.072,1162 4.017,1163 6.999,1164 3.907,1165 3.79,1166 3.838,1167 3.843,1168 3.699,1169 5.057,1170 3.65,1171 3.731,1172 3.79,1173 3.594,1174 3.602,1175 5.021,1176 3.586,1177 3.693,1178 3.7,1179 3.58,1180 3.591,1181 4.961,1182 3.539,1183 3.574,1184 3.634,1185 3.505,1186 3.43,1187 4.954,1188 3.425,1189 0.077,1190 0.074,1191 0.116,1192 0.068,1193 0.054,1194 4.848,1195 0.075,1196 4.684,1197 0.014,1198 7.293,1199 0.197,1200 4.299,1201 0.049,1202 3.379,1203 4.702,1204 0.86,1205 12.406,1206 3.083,1207 2.033,1208 2.034,1209 2.072,1210 2.086,1211 1.367,1212 2.12,1213 1.937,1214 1.919,1215 2.033,1216 2.03,1217 1.365,1218 2.039,1219 1.937,1220 1.919,1221 2.033,1222 2.029,1223 1.253,1224 2.029,1225 1.892,1226 1.911,1227 1.995,1228 1.984,1229 1.225,1230 2.021,1231 1.761,1232 1.708,1233 1.994,1234 1.923,1235 1.224,1236 1.953,1237 1.742,1238 1.683,1239 1.863,1240 1.883,1241 1.129,1242 1.92,1243 1.649,1244 1.592,1245 1.851,1246 1.846,1247 1.061,1248 1.854,1249 1.648,1250 1.59,1251 1.85,1252 1.845,1253 1.029,1254 1.853,1255 4.844,1257 6.155,1258 3.045,1259 7.653,1260 5.416,1261 9.241,1262 7.516,1263 10.879,1269 11.455,1271 11.525,1272 5.399,1273 11.915,1280 69.961,1281 180.503,1282 409.646,1283 533.646,1284 600.949,1285 608.949,1286 608.949,1287 161.646,1288 9.643,1289 194.42,1290 211.18,1291 34,1292 13.173,1293 5.209,1294 4.392,1295 102.65,1296 593,1297 553,1298 0.078,1299 434.495,1300 749,1301 1051.93,1302 416765,1304 40.798,1305 0.703,1306 0.597,1307 41.298,1308 34.605,1309 28.163,1310 0.447,1311 0.368,1312 20.26,1313 25.734,1314 19.65,1315 16.302,1316 29.806,1317 23.189,1318 24.979,1319 0.29,1320 0.21,1321 27.626,1322 18.024,1323 20.447,1324 0.186,1325 0.12,1326 22.662,1327 13.185,1328 16.451,1329 0.121,1330 0.067,1331 18.184,1332 9.142,1333 12.689,1334 0.078,1335 0.039,1336 14.054,1337 6.242,1338 0.135,1339 191.687,1340 0.154,1341 51.219,1342 0.187,1343 298,1344 818.09,1345 395.066,1346 831.018,1347 1133.66,1348 770,1349 345,1350 778.778,1351 454.758,1352 859.361,1353 1252.22,1354 810,1355 9.347} {0 CHEMBL342330,1 1.428,2 15,3 3.305,4 10.92,5 138.914,6 6.745,7 0.553,8 4.307,9 4.446,10 3.801,11 3.819,12 5.306,13 3.783,14 4.877,15 5.078,16 4.132,17 4.249,18 5.755,19 4.181,20 5.159,21 5.398,22 4.166,23 4.435,24 5.942,25 4.315,26 5.304,27 5.562,28 4.153,29 4.506,30 6.077,31 4.354,32 5.399,33 5.685,34 4.095,35 4.487,36 6.155,37 4.314,38 5.331,39 5.629,40 4.016,41 4.388,42 6.075,43 4.222,44 5.171,45 5.453,46 3.907,47 4.273,48 5.937,49 4.107,50 5.077,51 5.38,52 3.707,53 4.149,54 5.746,55 3.965,56 0.097,57 1.048,58 15.926,59 6.082,60 13.984,61 8.82,62 0.301,63 1.71,64 29.422,65 10.018,66 24.777,67 15.034,68 0.349,69 2.078,70 39.39,71 14.221,72 31.153,73 21.282,74 0.335,75 2.281,76 45.838,77 16.951,78 39.922,79 25.167,80 0.442,81 2.317,82 51.576,83 18.423,84 55.216,85 27.37,86 0.494,87 2.15,88 48.715,89 16.275,90 51.359,91 24.676,92 0.455,93 1.906,94 41.066,95 14.094,96 45.899,97 21.303,98 0.361,99 1.716,100 37.472,101 12.434,102 31.831,103 19.318,104 6,105 52,106 0.224,107 0.559,108 0.764,109 0.829,110 0.848,111 0.848,112 3.56,113 0.969,114 -4.79,115 -4.7,116 -4.41,119 39.7,121 4,124 1,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 8,176 3,178 12,182 5,184 1,186 4,189 8,192 1,193 8,197 3,199 7,203 7,206 1,208 4,211 8,215 6,218 1,220 1,222 7,226 6,229 3,233 4,236 1,237 6,242 2,244 3,249 2,254 1,256 5,259 2062,260 23.714,261 23.714,262 23.714,263 23.714,264 23.714,265 21.3,266 29.005,267 14.112,268 24.176,269 18.702,270 18.702,271 18.702,272 18.702,273 18.702,274 15.154,275 39.895,276 6.59,277 19.467,278 4.66,279 2.527,280 1.225,281 0.809,282 0.688,283 0.688,284 4.27,289 1,290 1131,291 3.742,294 187.555,295 356.437,298 160.59,302 2.235,303 17.772,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 510,316 4.568,317 3.395,318 6.605,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.186,326 3.196,327 6.566,328 4.025,329 3.07,330 3.731,331 0.8,332 10.408,333 2.934,334 4.129,335 2.894,336 6.095,337 3.69,338 2.753,339 3.58,340 0.172,341 8.884,342 2.578,343 3.735,344 2.862,345 5.746,346 3.572,347 2.611,348 2.852,350 7.764,351 2.514,352 3.456,353 2.562,354 5.308,355 3.258,356 2.315,357 2.811,359 6.788,360 2.173,361 3.392,362 2.184,363 5.127,364 3.012,365 2.033,366 2.593,368 6,369 1.985,370 3.247,371 1.908,372 4.618,373 2.776,374 1.799,375 2.47,377 4.655,378 1.755,379 3.035,380 1.794,381 4.514,382 2.728,383 1.772,384 2.147,386 4.603,387 1.689,388 2.744,389 1.412,390 4.134,391 2.332,392 1.346,393 1.849,395 3.482,396 1.326,397 2.551,398 1.348,399 3.708,400 2.222,401 1.244,402 1.561,404 2.895,405 1.215,406 2.5,407 1.297,408 3.468,409 2.077,410 1.112,411 1.5,413 2.508,414 1.069,415 2.422,416 1.121,417 3.414,418 2,419 1,420 1.393,422 2.275,423 1,424 2.255,425 1.077,426 3.354,427 1.984,428 1,429 1.198,431 2.136,432 0.983,433 2.118,434 1,435 3.298,436 1.869,437 0.912,438 1,440 2.103,441 0.87,442 2.009,443 0.921,444 3.247,445 1.759,446 0.83,447 0.927,449 1.735,450 0.765,451 16.233,452 0.477,453 0.619,454 0.018,455 40.5,456 1.191,457 18,458 0.529,459 22.5,460 0.662,461 33.289,462 0.979,463 37.167,464 0.547,465 29.255,466 0.86,467 7.878,468 0.232,469 8.846,470 0.26,471 0.051,473 0.29,479 0.939,480 1.431,481 0.889,482 1.157,483 0.87,484 1.042,485 1.188,486 1.076,487 1.034,488 0.966,489 0.865,490 0.974,491 0.869,492 1.052,493 1.037,494 1.058,495 0.641,496 1.061,497 0.776,498 1.083,499 1.048,500 1.163,501 0.651,502 1.139,503 0.942,504 0.993,505 0.95,506 1.039,507 1.185,508 1.013,509 1.088,510 0.871,511 0.929,512 0.889,513 1.187,514 0.897,515 0.918,516 1.008,517 1.009,518 1.032,519 1.068,520 1.038,521 0.815,522 0.893,523 1,524 0.948,525 0.628,526 0.979,527 5,528 0.124,529 4,530 1.944,531 1.397,532 1.028,533 0.586,534 0.333,535 0.208,536 0.168,537 20410,538 45496,539 2.163,540 50,541 2,542 21,543 1,544 2,545 2,547 2,548 4,550 1.753,551 2.082,552 3.844,553 0.147,559 97.082,560 1.428,561 3.561,562 4.863,563 5.278,564 5.4,565 5.4,566 3.257,567 4.514,568 5.062,569 4.052,570 2273.25,571 8.836,572 37198,577 413.947,578 1.166,579 5.043,580 0.132,581 0.005,582 0.077,583 0.037,584 0.029,585 0.023,586 0.014,587 0.009,588 0.007,589 0.006,590 0.338,591 0.17,592 0.88,593 0.54,594 186.82,595 0.044,596 -0.177,597 0.073,598 -0.049,599 0.026,601 -0.103,602 0.094,603 -0.047,604 0.054,605 -0.058,606 0.016,607 -0.038,609 -0.073,610 -0.03,611 0.023,612 -0.05,613 -0.006,614 -0.093,615 -0.09,616 -0.138,617 0.068,618 -0.124,619 0.017,620 -0.094,621 0.029,622 -0.041,623 -0.005,624 -0.013,625 -0.032,626 0.029,627 0.066,628 0.074,629 -0.028,630 0.079,631 0.054,632 -0.069,633 -0.025,634 -0.052,635 -0.052,636 -0.053,637 -0.032,638 0.043,639 -0.023,640 0.007,641 -0.046,642 -0.002,643 1.343,644 4.023,645 0.765,646 39.685,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.97,654 4.277,655 4.522,656 4.673,657 4.745,658 4.875,659 4.977,660 4.997,661 5.037,662 8.865,663 0.606,664 458.67,665 3.664,666 5.198,667 6.057,668 6.927,669 7.797,670 8.672,671 9.547,672 10.425,673 11.302,674 12.181,675 8.8,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 16,746 11,764 34,765 5,766 2,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,815 2,817 1,819 4,823 1,827 34,832 1,833 8,837 2,838 2,844 1,847 1.5,848 1,854 16.333,855 12.033,856 7.583,857 4.208,858 3.48,859 1.422,860 0.978,861 7.287,862 11.736,863 3.902,864 4.466,865 5.061,866 5.634,867 6.059,868 6.383,869 6.823,870 7.226,871 7.399,872 7.615,873 0.9,874 52,875 12.583,877 5.3,878 7.485,879 24.939,881 21.05,883 1.985,884 67.5,888 376.675,889 140.791,890 58.259,892 42.683,895 140.791,896 419.359,897 58.259,898 8.396,899 16.455,900 127.541,901 74.105,902 36.634,903 13.915,904 341.362,906 376.675,907 199.05,908 42.683,911 306.049,912 70.627,913 42.683,915 58.626,916 107.099,917 33.326,919 376.675,920 100.943,921 140.791,924 376.675,925 30.3,926 118.639,927 16.786,928 76.009,929 376.675,930 100.943,931 140.791,933 0.573,934 0.348,935 0.192,936 0.094,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.695,944 311.442,945 0.077,946 26,947 160.974,951 23.097,952 10.727,953 5.223,954 2.454,955 82.258,956 22.43,957 7.84,958 3.417,961 3.649,962 1.941,963 59.469,964 618.409,965 48.5,975 67.309,976 77.012,977 0.235,978 0.585,979 0.799,980 0.867,981 0.887,982 0.887,983 5.131,984 1.772,985 6.019,986 4.655,987 4.654,988 5.153,989 1.242,990 6.819,991 4.577,992 6.301,993 1.346,994 7.568,995 4.603,996 4.111,997 4.783,998 0.57,999 7.708,1000 3.984,1001 7.585,1002 1.244,1003 9.221,1004 3.482,1005 6.232,1006 7.307,1007 0.883,1008 10.816,1009 6.081,1010 8.909,1011 1.112,1012 10.938,1013 2.895,1014 6.594,1015 7.896,1016 0.581,1017 12.568,1018 6.391,1019 10.27,1020 1,1021 12.697,1022 2.508,1023 8.106,1024 9.809,1025 0.68,1026 15.167,1027 7.884,1028 11.658,1029 1,1030 14.484,1031 2.275,1032 8.874,1033 10.859,1034 0.515,1035 17.253,1036 8.607,1037 13.067,1038 0.912,1039 16.291,1040 2.136,1041 10.145,1042 12.523,1043 0.541,1044 19.684,1045 9.859,1046 3.118,1047 0.83,1048 18.111,1049 2.103,1050 11.1,1051 13.802,1052 0.441,1053 21.91,1054 10.777,1055 3.07,1056 10.431,1057 19.943,1058 1.735,1059 12.274,1060 15.362,1061 0.438,1062 24.28,1063 11.93,1064 2.753,1065 10.408,1066 21.783,1067 4.518,1068 13.316,1069 16.754,1070 0.373,1071 26.566,1072 12.941,1073 2.611,1074 8.884,1075 23.629,1076 3.731,1077 14.453,1078 18.274,1079 0.358,1080 28.915,1081 14.056,1082 2.315,1083 7.764,1084 25.48,1085 3.58,1086 15.536,1087 19.721,1088 0.314,1089 31.229,1090 15.111,1091 2.033,1092 6.788,1093 27.336,1094 2.852,1095 16.66,1096 21.226,1097 0.296,1098 33.57,1099 16.212,1100 1.799,1101 6,1102 29.196,1103 2.811,1104 17.762,1105 22.701,1106 0.264,1107 35.898,1108 17.29,1109 18766,1110 28208,1111 26.235,1112 44.148,1113 56.971,1114 56.451,1115 57.679,1116 56.278,1117 56.259,1118 71.623,1119 3.778,1120 158.939,1121 54.088,1122 5.568,1123 5.395,1124 6.407,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.563,1130 5.062,1131 11.211,1132 1.499,1133 1.486,1134 1.518,1135 1.481,1136 1.481,1137 1.885,1138 0.099,1139 4.183,1140 1.423,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.456,1146 4.07,1147 3.969,1148 4.016,1149 3.888,1150 3.88,1151 5.135,1152 3.876,1153 3.848,1154 3.912,1155 3.79,1156 3.708,1157 4.927,1158 3.706,1159 3.82,1160 3.886,1161 3.729,1162 3.587,1163 4.751,1164 3.624,1165 3.577,1166 3.647,1167 3.444,1168 3.406,1169 4.379,1170 3.408,1171 3.449,1172 3.513,1173 3.309,1174 3.28,1175 4.257,1176 3.28,1177 3.279,1178 3.345,1179 3.159,1180 3.113,1181 4.108,1182 3.115,1183 3.159,1184 3.249,1185 2.963,1186 2.941,1187 3.89,1188 2.91,1189 0.12,1190 0.089,1191 0.174,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.395,1197 0.024,1198 6.605,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.937,1209 2.088,1210 2.078,1211 1.444,1212 2.085,1213 1.937,1214 1.904,1215 2.044,1216 2.049,1217 1.286,1218 2.047,1219 1.834,1220 1.776,1221 2.011,1222 1.98,1223 1.197,1224 1.994,1225 1.668,1226 1.612,1227 1.877,1228 1.835,1229 1.114,1230 1.853,1231 1.47,1232 1.404,1233 1.707,1234 1.706,1235 0.871,1236 1.707,1237 1.4,1238 1.33,1239 1.58,1240 1.649,1241 0.825,1242 1.633,1243 1.304,1244 1.241,1245 1.514,1246 1.514,1247 0.749,1248 1.52,1249 1.153,1250 1.064,1251 1.513,1252 1.442,1253 0.615,1254 1.456,1255 4.344,1257 5.652,1258 3.045,1259 7.157,1260 5.283,1261 8.747,1262 7.286,1263 10.383,1265 2.166,1270 10.023,1271 8.02,1275 0.584,1276 4.976,1280 41.218,1281 97.082,1282 242.145,1283 330.663,1284 358.928,1285 367.193,1286 367.193,1287 49.521,1288 8.256,1289 73.21,1290 73.21,1291 28,1292 12.718,1293 4.459,1294 3.524,1295 50.445,1296 187,1297 152,1298 0.13,1299 251.212,1300 421.29,1301 604.718,1302 54462,1304 23.33,1305 0.686,1306 0.584,1307 23.33,1308 19.846,1309 16.725,1310 0.44,1311 0.323,1312 12.119,1313 16.128,1314 11.852,1315 9.8,1316 16.725,1317 12.278,1318 14.42,1319 0.277,1320 0.18,1321 14.42,1322 9.364,1323 12.893,1324 0.182,1325 0.104,1326 12.893,1327 7.37,1328 10.813,1329 0.119,1330 0.058,1331 10.813,1332 5.31,1333 8.012,1334 0.076,1335 0.034,1336 8.012,1337 3.569,1338 0.213,1339 104.319,1340 0.195,1341 32.251,1342 0.332,1343 180,1344 424.708,1345 192.957,1346 418.253,1347 585.83,1348 396,1349 213,1350 440.343,1351 227.845,1352 449.623,1353 653.2,1354 423,1355 8.367} {0 CHEMBL342805,1 1.522,2 15.306,3 2.938,4 8.63,5 141.448,6 7.068,7 0.525,8 4.332,9 4.47,10 3.858,11 3.826,12 5.384,13 3.807,14 4.889,15 5.076,16 4.191,17 4.247,18 5.918,19 4.191,20 5.168,21 5.406,22 4.161,23 4.407,24 5.994,25 4.294,26 5.263,27 5.521,28 4.133,29 4.441,30 6.055,31 4.302,32 5.313,33 5.59,34 4.156,35 4.425,36 6.102,37 4.285,38 5.273,39 5.537,40 4.167,41 4.395,42 6.113,43 4.277,44 5.246,45 5.503,46 4.133,47 4.365,48 6.157,49 4.242,50 5.215,51 5.495,52 3.917,53 4.263,54 6.086,55 4.111,56 0.073,57 1.076,58 15.425,59 5.898,60 14.448,61 8.39,62 0.463,63 1.706,64 28.891,65 10.058,66 49.992,67 14.671,68 0.41,69 2.039,70 39.746,71 13.863,72 41.897,73 20.524,74 0.377,75 2.157,76 44.264,77 15.574,78 51.173,79 23.216,80 0.487,81 2.156,82 47.718,83 16.372,84 57.452,85 24.508,86 0.483,87 2.1,88 45.736,89 14.911,90 55.986,91 22.316,92 0.525,93 2.067,94 44.32,95 14.432,96 63.592,97 21.591,98 0.522,99 1.933,100 43.77,101 13.334,102 69.657,103 20.563,104 8,105 54,106 0.238,107 0.591,108 0.772,109 0.836,110 0.855,111 0.855,112 3.615,113 0.942,114 -4.04,115 -3.99,116 -3.78,119 39.1,121 4,125 4,127 2,140 8,141 3,142 1,149 1,150 1,157 1,158 2,161 1,162 1,163 1,164 1,169 11,171 3,172 5,173 2,174 2,176 6,178 12,182 4,184 1,186 5,189 8,193 8,195 1,197 3,199 7,203 11,206 2,207 1,208 2,210 1,211 8,213 1,215 8,218 1,220 3,222 7,224 2,225 1,226 9,229 2,231 5,233 4,235 4,236 1,237 6,242 4,244 3,246 1,248 1,249 2,251 1,252 1,254 1,256 5,259 2518,260 24.861,261 24.861,262 24.861,263 24.861,264 24.861,265 22.239,266 31.536,267 15.028,268 25.386,269 19.807,270 19.807,271 19.807,272 19.807,273 19.807,274 15.934,275 42.702,276 7.203,277 20.644,278 4.587,279 2.328,280 1.167,281 0.757,282 0.638,283 0.638,284 4.325,289 1,290 1211,291 4,294 203.687,295 386.024,298 175.118,302 2.4,303 24.171,306 1,307 0.5,308 0.83,309 0.8,310 0.5,311 0.83,312 0.5,313 0.71,314 77.5,315 551,316 4.568,317 3.589,318 6.566,319 4.099,320 3.118,321 4.518,322 2.172,323 10.431,324 3.062,325 4.129,326 3.197,327 6.166,328 3.858,329 2.886,330 3.731,331 0.8,332 9.167,333 2.808,334 4.088,335 3.173,336 6.095,337 3.69,338 2.753,339 3.552,340 0.657,341 8.884,342 2.578,343 3.649,344 2.893,345 5.478,346 3.557,347 2.605,348 2.813,349 0.262,350 7.336,351 2.483,352 3.546,353 2.858,354 5.15,355 3.162,356 2.211,357 2.726,359 6.375,360 2.093,361 3.433,362 2.393,363 5.11,364 3.137,365 2.191,366 2.662,368 5.994,369 2.047,370 3.279,371 2.18,372 4.688,373 2.997,374 2.022,375 2.59,377 5.231,378 1.961,379 3.243,380 1.956,381 4.514,382 2.743,383 1.778,384 2.379,386 4.655,387 1.725,388 3.025,389 1.795,390 4.339,391 2.726,392 1.749,393 2.107,395 4.255,396 1.689,397 2.742,398 1.543,399 4.133,400 2.314,401 1.329,402 1.847,404 3.481,405 1.308,406 2.5,407 1.37,408 3.504,409 2.142,410 1.163,411 1.5,413 2.686,414 1.134,415 2.483,416 1.178,417 3.462,418 2.076,419 1.11,420 1.471,422 2.519,423 1.069,424 2.422,425 1.077,426 3.414,427 2,428 1,429 1.393,431 2.275,432 1,433 2.253,434 1.039,435 3.317,436 1.984,437 1,438 1.193,440 2.136,441 0.983,442 2.118,443 1,444 3.247,445 1.86,446 0.896,447 1,449 2.098,450 0.862,451 16.967,452 0.471,453 0.691,454 0.019,455 43.5,456 1.208,457 19.5,458 0.542,459 24,460 0.667,461 34.12,462 0.948,463 39.433,464 0.571,465 32.842,466 0.912,467 8.594,468 0.239,469 9.059,470 0.252,471 0.043,473 0.283,479 0.87,480 1.379,481 0.843,482 1.134,483 0.692,484 1.001,485 0.841,486 1.098,487 0.991,488 1.034,489 0.436,490 1.028,491 0.918,492 1.036,493 1.054,494 1.057,495 0.691,496 1.072,497 0.778,498 1.052,499 1.027,500 1.121,501 0.681,502 1.111,503 0.729,504 0.947,505 0.869,506 0.995,507 0.589,508 0.964,509 1.054,510 0.963,511 0.954,512 0.964,513 0.802,514 0.952,515 1.042,516 1.063,517 1.034,518 1.071,519 1.166,520 1.062,521 1.116,522 0.978,523 1.127,524 1.03,525 1.516,526 1.069,527 6,528 0.111,529 3.556,530 1.319,531 1.277,532 0.993,533 0.689,534 0.445,535 0.294,536 0.199,537 23872,538 60389,539 2.154,540 47.8,541 2,542 18,543 1,544 2,545 4,547 2,548 4,550 1.769,551 2.077,552 3.858,553 1.495,559 104.99,560 1.522,561 3.781,562 4.941,563 5.351,564 5.471,565 5.471,566 3.251,567 4.517,568 5.145,569 4.115,570 2592.73,571 9.008,572 45067,577 421.488,578 1.135,579 5.128,580 0.15,581 0.004,582 0.066,583 0.026,584 0.027,585 0.02,586 0.014,587 0.009,588 0.008,589 0.007,590 0.331,591 0.17,592 0.63,593 0.806,594 201.951,595 -0.013,596 -0.112,597 0.061,598 -0.034,599 -0.003,600 0.016,601 0.149,602 0.061,603 -0.044,604 0.006,605 0.242,606 -0.038,607 -0.079,608 -0.01,609 -0.101,610 -0.028,611 -0.036,612 -0.062,613 -0.032,614 -0.074,615 -0.074,616 -0.097,617 -0.028,618 -0.092,619 0.091,620 -0.032,621 0.107,622 0.011,623 0.093,624 0.052,625 -0.059,626 -0.018,627 0.036,628 0.027,629 0.014,630 0.042,631 -0.019,632 -0.101,633 -0.046,634 -0.081,635 -0.045,636 -0.073,637 -0.127,638 -0.037,639 -0.128,640 -0.076,641 -0.179,642 -0.097,643 2.405,644 4.156,645 0.722,646 45.275,647 0.998,648 1.135,649 2.808,650 7.885,651 0.65,652 3.714,653 4.007,654 4.263,655 4.511,656 4.7,657 4.779,658 4.92,659 5.03,660 5.075,661 5.112,662 9.349,663 0.615,664 487.67,665 3.714,666 5.242,667 6.08,668 6.94,669 7.796,670 8.662,671 9.526,672 10.396,673 11.265,674 12.137,675 10.1,677 1,678 1,682 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 69,716 22,717 2,718 40,720 73,721 27,722 16,723 4,724 8,730 5,731 6,740 3,743 6,745 17,746 10,750 1,755 1,759 1,764 33,765 7,766 4,767 9,773 7,777 0.8,778 2,788 1,792 2,793 3,796 1,814 1,815 1,816 1,819 4,827 36,828 1,833 8,834 1,835 1,837 2,838 1,844 1,847 2.9,850 1,852 1,854 17.333,855 11.8,856 7.944,857 4.191,858 3.452,859 1.414,860 0.995,861 8.087,862 11.79,863 3.961,864 4.511,865 5.061,866 5.631,867 6.067,868 6.396,869 6.838,870 7.242,871 7.432,872 7.642,873 0.9,874 51,875 13.292,877 5.597,878 7.616,879 25.936,881 21.618,883 2.116,884 76.167,888 341.362,889 143.75,890 106.043,892 36.145,895 143.75,896 377.507,897 106.043,899 53.945,900 102.868,901 99.25,902 44.51,903 20.678,904 306.049,906 341.362,907 249.793,908 36.145,911 270.735,912 106.771,915 111.002,916 105.465,917 33.326,919 341.362,920 142.188,921 143.75,924 341.362,925 41.655,926 107.118,927 34.796,928 102.368,929 341.362,930 142.188,931 143.75,933 0.571,934 0.323,935 0.175,936 0.095,937 25,938 10,939 0.151,940 11,941 1,942 1.077,943 4.904,944 330.571,945 0.077,946 26,947 174.117,951 24.659,952 11.806,953 6.411,954 2.413,955 123.503,956 22.06,957 7.826,958 3.402,961 3.516,962 1.927,963 67.693,964 627.299,965 51.5,970 11.156,974 -0.738,975 68.854,976 78.305,977 0.249,978 0.619,979 0.809,980 0.876,981 0.896,982 0.896,983 5.183,984 1.778,985 6.033,986 5.231,987 4.691,988 5.198,989 2.401,990 6.795,991 4.613,992 6.349,993 1.749,994 7.554,995 4.655,996 4.111,997 4.832,998 1.847,999 7.591,1000 3.999,1001 7.625,1002 1.329,1003 9.175,1004 4.255,1005 6.232,1006 7.33,1007 3.489,1008 10.677,1009 6.081,1010 8.938,1011 1.163,1012 10.859,1013 3.481,1014 6.524,1015 7.907,1016 3.562,1017 12.354,1018 6.341,1019 10.287,1020 1.11,1021 12.584,1022 2.686,1023 8.05,1024 9.815,1025 4.873,1026 14.924,1027 7.839,1028 11.662,1029 1,1030 14.338,1031 2.519,1032 8.751,1033 10.856,1034 5.237,1035 16.961,1036 8.515,1037 13.059,1038 1,1039 16.113,1040 2.275,1041 10.028,1042 12.521,1043 6.339,1044 19.357,1045 9.77,1046 3.118,1047 0.896,1048 17.905,1049 2.136,1050 10.933,1051 13.796,1052 6.865,1053 21.548,1054 10.655,1055 2.886,1056 10.431,1057 19.708,1058 2.098,1059 12.104,1060 15.357,1061 7.84,1062 23.886,1063 11.807,1064 2.753,1065 9.167,1066 21.521,1067 4.518,1068 13.11,1069 16.749,1070 8.462,1071 26.145,1072 12.797,1073 2.605,1074 8.884,1075 23.343,1076 3.731,1077 14.238,1078 18.269,1079 9.359,1080 28.466,1081 13.907,1082 2.211,1083 7.336,1084 25.17,1085 3.552,1086 15.295,1087 19.716,1088 10.041,1089 30.758,1090 14.949,1091 2.191,1092 6.375,1093 27.003,1094 2.813,1095 16.407,1096 21.222,1097 10.891,1098 33.076,1099 16.046,1100 2.022,1101 5.994,1102 28.841,1103 2.726,1104 17.49,1105 22.698,1106 11.609,1107 35.385,1108 17.116,1109 22097,1110 35315,1111 27.622,1112 44.847,1113 59.783,1114 59.723,1115 59.485,1116 59.079,1117 59.139,1118 75.609,1119 7.782,1120 163.227,1121 56.834,1122 5.568,1123 5.589,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 3.872,1129 17.095,1130 5.062,1131 12.224,1132 1.495,1133 1.493,1134 1.487,1135 1.477,1136 1.478,1137 1.89,1138 0.195,1139 4.081,1140 1.421,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 7.443,1146 4.07,1147 3.961,1148 4.007,1149 3.88,1150 3.875,1151 5.135,1152 3.871,1153 3.847,1154 3.912,1155 3.79,1156 3.702,1157 4.931,1158 3.7,1159 3.819,1160 3.885,1161 3.724,1162 3.586,1163 4.917,1164 3.623,1165 3.576,1166 3.632,1167 3.485,1168 3.396,1169 4.76,1170 3.397,1171 3.514,1172 3.559,1173 3.388,1174 3.287,1175 4.414,1176 3.307,1177 3.322,1178 3.388,1179 3.223,1180 3.12,1181 4.296,1182 3.131,1183 3.249,1184 3.321,1185 3.121,1186 2.984,1187 4.252,1188 3.034,1189 0.114,1190 0.09,1191 0.164,1192 0.102,1193 0.078,1194 4.568,1195 0.113,1196 3.589,1197 0.054,1198 6.566,1199 0.261,1200 4.099,1201 0.077,1202 3.118,1203 4.518,1204 2.172,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.083,1210 2.071,1211 1.431,1212 2.079,1213 1.932,1214 1.9,1215 2.043,1216 2.048,1217 1.281,1218 2.046,1219 1.831,1220 1.772,1221 2.01,1222 1.981,1223 1.195,1224 1.995,1225 1.663,1226 1.608,1227 1.873,1228 1.83,1229 1.113,1230 1.848,1231 1.454,1232 1.405,1233 1.665,1234 1.732,1235 0.852,1236 1.701,1237 1.402,1238 1.333,1239 1.582,1240 1.665,1241 0.825,1242 1.641,1243 1.315,1244 1.254,1245 1.513,1246 1.557,1247 0.751,1248 1.54,1249 1.153,1250 1.098,1251 1.486,1252 1.464,1253 0.581,1254 1.464,1255 4.394,1257 5.694,1258 3.045,1259 7.174,1260 5.283,1261 8.738,1262 7.286,1263 10.349,1269 5.208,1271 7.708,1272 3.689,1273 5.124,1275 0.327,1276 2.549,1280 42.428,1281 104.99,1282 260.866,1283 340.959,1284 369.224,1285 377.488,1286 377.488,1287 53.938,1288 8.338,1289 114.09,1290 114.09,1291 28,1292 12.68,1293 4.524,1294 3.644,1295 54.86,1296 208,1297 161,1298 0.126,1299 259.075,1300 438.44,1301 623.904,1302 60520,1304 24.744,1305 0.687,1306 0.565,1307 24.744,1308 20.345,1309 17.653,1310 0.441,1311 0.314,1312 12.38,1313 16.93,1314 12.179,1315 10.053,1316 17.653,1317 12.561,1318 15.562,1319 0.288,1320 0.174,1321 15.562,1322 9.392,1323 12.89,1324 0.184,1325 0.1,1326 12.89,1327 7.007,1328 10.647,1329 0.118,1330 0.056,1331 10.647,1332 5.06,1333 8.411,1334 0.077,1335 0.033,1336 8.411,1337 3.592,1338 0.207,1339 110.742,1340 0.19,1341 33.863,1342 0.321,1343 188,1344 502.029,1345 206.273,1346 487.02,1347 670.53,1348 458,1349 218,1350 498.99,1351 235.669,1352 503.826,1353 728.84,1354 474,1355 8.18} {0 CHEMBL343025,1 1.154,2 8.909,3 5.664,4 32.077,5 97.652,6 5.566,7 0.435,8 4.009,9 4.166,10 3.316,11 3.531,12 4.858,13 3.439,14 4.603,15 4.844,16 3.647,17 3.941,18 5.323,19 3.817,20 4.864,21 5.119,22 3.683,23 4.124,24 5.582,25 3.955,26 5.045,27 5.349,28 3.609,29 4.167,30 5.665,31 3.957,32 4.983,33 5.287,34 3.517,35 4.102,36 5.573,37 3.879,38 4.918,39 5.222,40 3.53,41 4.039,42 5.534,43 3.832,44 4.862,45 5.153,46 3.335,47 3.965,48 5.525,49 3.743,50 4.825,51 5.164,52 3.179,53 3.813,54 5.39,55 3.564,56 0.073,57 0.745,58 13.645,59 5.439,60 9.212,61 8.105,62 0.147,63 1.202,64 23.186,65 8.803,66 14.583,67 13.345,68 0.174,69 1.487,70 29.317,71 11.485,72 22.287,73 17.202,74 0.205,75 1.62,76 33.247,77 12.988,78 24.071,79 19.458,80 0.194,81 1.508,82 30.956,83 12.699,84 20.242,85 18.618,86 0.164,87 1.426,88 29.153,89 11.542,90 20.484,91 17.231,92 0.199,93 1.37,94 28.21,95 10.289,96 22.482,97 15.829,98 0.16,99 1.203,100 25.544,101 9.744,102 20.08,103 14.746,104 42,105 32,106 0.195,107 0.468,108 0.662,109 0.74,110 0.74,111 0.74,112 3.146,113 1.145,114 -5.36,115 -5.24,116 -4.9,119 37,120 5,121 3,123 1,125 3,140 3,141 3,149 1,150 1,169 12,172 3,176 3,178 14,182 3,186 3,189 13,193 1,197 1,199 13,203 1,206 1,208 1,211 11,215 2,220 3,222 8,226 2,231 2,233 4,237 3,242 2,244 6,256 8,259 662,260 14.488,261 14.488,262 14.488,263 14.488,264 14.488,265 13.397,266 15.967,267 8.67,268 14.659,269 11.287,270 11.287,271 11.287,272 11.287,273 11.287,274 9.566,275 15.714,276 3.942,277 11.57,278 4.601,279 2.991,280 1.845,281 1.385,282 1.385,283 1.385,284 3.803,289 1,290 395,291 4.123,294 51.297,295 59.402,298 93.102,302 1.38,303 7.95,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 45,315 196,316 4.607,317 3.552,318 7.123,319 4.34,320 3.341,321 4.517,322 0.8,323 11.737,324 3.337,325 4.302,326 3.116,327 6.517,328 4.001,329 3.014,330 3.585,332 10.222,333 2.975,334 3.52,335 2.798,336 5.346,337 3.408,338 2.483,339 2.743,341 6.958,342 2.297,343 3.341,344 2.164,345 5.107,346 2.987,347 2,348 2.45,350 5.964,351 1.971,352 3.035,353 1.652,354 4.64,355 2.624,356 1.643,357 2.213,359 4.853,360 1.609,361 2.677,362 1.308,363 4.128,364 2.248,365 1.258,366 1.749,368 3.385,369 1.245,370 2.247,371 1.298,372 3.362,373 2.237,374 1.247,375 1.247,377 2.117,378 1.233,379 2.224,380 1.066,381 3.247,382 1.994,383 1.018,384 1.161,386 2.108,387 0.991,388 1.969,389 0.789,390 3.165,391 1.679,392 0.714,393 0.884,395 1.46,396 0.687,397 1.462,398 0.377,399 2.814,400 1.293,401 0.315,402 0.358,404 0.612,405 0.307,406 0.822,407 -0.284,408 2.552,409 0.521,410 -0.445,411 -0.445,413 -0.632,414 -0.428,415 0.63,416 -0.287,417 2.204,418 0.467,419 -0.505,420 -0.604,422 -1.163,423 -0.489,424 0.555,425 -0.67,426 2,427 0.196,428 -0.795,429 -0.969,431 -1.759,432 -0.786,433 0.253,434 -0.909,435 2,436 0.034,437 -0.95,438 -1,440 -2.647,441 -0.935,443 -1,444 2,446 -1,447 -1,449 -3,450 -1,451 10.8,452 0.491,453 0.634,454 0.029,455 20.75,456 0.943,457 8,458 0.364,459 12.75,460 0.58,461 25.092,462 1.141,463 25.8,464 0.478,465 12.002,466 0.546,467 3.341,468 0.152,469 7.111,470 0.323,471 0.231,472 0.046,473 0.222,479 1.17,480 1.463,481 1.159,482 1.291,483 1.396,484 1.236,485 1.415,486 1.057,487 0.998,488 0.956,489 0.763,490 0.955,491 1.239,492 1.215,493 1.169,494 1.178,495 1.052,496 1.171,497 1.148,498 0.957,499 1.01,500 0.965,501 1.056,502 0.977,503 0.695,504 1.012,505 0.983,506 1.043,507 0.906,508 1.031,509 0.782,510 1.064,511 0.912,512 1,513 0.737,514 0.969,515 1.716,516 1.159,517 1.296,518 1.167,519 1.631,520 1.202,521 0.936,522 0.917,523 0.863,524 0.874,525 0.883,526 0.866,527 5.5,528 0.124,529 2.889,530 1.354,531 0.973,532 0.92,533 0.501,534 0.241,535 0.276,536 0.171,537 4420,538 6650,539 1.933,540 59.3,541 15,542 9,543 1,545 1,547 6,550 1.646,551 1.772,552 3.165,553 -0.444,559 62.325,560 1.154,561 2.764,562 3.91,563 4.37,564 4.37,565 4.37,566 2.534,567 3.88,568 4.429,569 3.338,570 770.989,571 7.616,572 8636.73,577 310.764,578 1.674,579 4.355,580 0.239,581 0.012,582 0.09,583 0.044,584 0.035,585 0.037,586 0.019,587 0.013,588 0.016,589 0.012,590 0.518,591 0.5,592 1,593 2.003,594 101.521,595 0.083,596 -0.131,597 0.043,598 -0.04,599 -0.154,600 -0.008,601 -0.012,602 0.109,603 0.11,604 0.13,605 0.218,606 0.127,607 -0.08,608 -0.102,609 -0.103,610 -0.107,611 -0.004,612 -0.106,613 -0.074,614 0.04,615 -0.017,616 0.017,617 -0.061,618 0.006,619 0.112,620 -0.036,621 -0.011,622 -0.042,623 -0.032,624 -0.035,625 0.109,626 -0.085,627 0.067,628 -0.007,629 0.171,630 0.022,631 -0.261,632 -0.111,633 -0.261,634 -0.195,635 -0.365,636 -0.222,637 0.062,638 -0.01,639 0.076,640 0.041,641 0.087,642 0.056,643 1.042,644 0.936,645 0.409,646 18.099,647 0.971,648 1.134,649 4.128,650 17.042,651 0.619,652 3.178,653 3.497,654 3.689,655 3.892,656 4.06,657 4.205,658 4.277,659 4.29,660 4.22,661 4.094,662 5.628,663 0.555,664 300.54,665 3.178,666 4.71,667 5.533,668 6.412,669 7.266,670 8.152,671 9.02,672 9.91,673 10.786,674 11.68,675 3.7,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 54,716 10,717 1,718 23,720 55,721 20,722 8,723 3,724 3,730 2,731 3,736 5,737 1,743 3,745 8,746 12,764 32,765 1,766 1,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,815 1,819 1,823 5,827 22,833 6,838 1,839 1,854 12.417,855 11.033,856 4.972,857 3.786,858 2.067,859 1.315,860 0.925,861 5.825,862 8.621,863 3.367,864 3.937,865 4.507,866 5.095,867 5.597,868 5.988,869 6.353,870 6.632,871 6.502,872 6.464,873 0.833,874 31,875 8.176,877 3.24,878 7.292,879 16.595,881 13.485,883 1.792,884 39.417,885 0.002,888 364.904,889 106.611,890 19.91,895 106.611,896 364.904,897 19.91,898 44.126,899 13.921,900 37.476,902 28.854,903 13.915,904 353.133,906 364.904,907 126.521,911 294.278,912 70.627,915 77.957,916 48.564,919 364.904,920 19.91,921 106.611,924 364.904,925 25.009,926 84.726,927 16.786,929 364.904,930 19.91,931 106.611,933 0.573,934 0.318,935 0.164,936 0.086,937 14,938 7,939 0.145,940 8,941 1,942 1.222,943 3.329,944 161.966,945 0.222,946 9,947 87.353,951 17.24,952 7.433,953 4.443,954 2.668,955 3.124,956 9.066,958 3.436,961 2.873,963 16.786,964 491.425,965 28,975 52.458,976 61.225,977 0.201,978 0.48,979 0.679,980 0.759,981 0.759,982 0.759,983 4.61,984 1.018,985 5.565,986 2.117,987 4.174,988 4.62,989 0.673,990 6.415,991 4.132,992 5.825,993 0.714,994 7.162,995 2.108,996 4.007,997 4.59,998 0.325,999 7.662,1000 3.966,1001 7.154,1002 0.315,1003 8.878,1004 1.46,1005 5.866,1006 6.861,1007 0.379,1008 10.639,1009 5.797,1010 8.527,1011 -0.445,1012 10.666,1013 0.612,1014 6.509,1015 7.678,1016 0.268,1017 12.663,1018 6.452,1019 9.936,1020 -0.505,1021 12.499,1022 -0.632,1023 7.912,1024 9.482,1025 0.239,1026 15.254,1027 7.838,1028 11.37,1029 -0.795,1030 14.362,1031 -1.163,1032 8.878,1033 10.675,1034 0.188,1035 17.544,1036 8.816,1037 12.823,1038 -0.95,1039 16.245,1040 -1.759,1041 10.128,1042 12.296,1043 0.156,1044 20.028,1045 10.059,1046 3.341,1047 -1,1048 18.144,1049 -2.647,1050 11.223,1051 13.66,1052 0.125,1053 22.413,1054 11.162,1055 3.014,1056 11.737,1057 20.054,1058 -3,1059 12.423,1060 15.208,1061 0.102,1062 24.866,1063 12.361,1064 2.483,1065 10.222,1066 21.973,1067 4.517,1068 13.571,1069 16.648,1070 0.082,1071 27.286,1072 13.513,1073 2,1074 6.958,1075 23.898,1076 3.585,1077 14.758,1078 18.169,1079 0.066,1080 29.732,1081 14.701,1082 1.643,1083 5.964,1084 25.829,1085 2.743,1086 15.929,1087 19.644,1088 0.054,1089 32.169,1090 15.874,1091 1.258,1092 4.853,1093 27.764,1094 2.45,1095 17.115,1096 21.153,1097 0.043,1098 34.615,1099 17.06,1100 1.247,1101 3.385,1102 29.702,1103 2.213,1104 18.296,1105 22.645,1106 0.035,1107 37.06,1108 18.243,1109 4623,1110 5772,1111 14.504,1112 33.432,1113 34.418,1114 34.014,1115 35.249,1116 34.054,1117 34.067,1118 41.813,1119 1.6,1120 98.836,1121 33.308,1122 5.503,1123 5.552,1124 6.925,1125 5.356,1126 5.341,1127 7.517,1128 1.2,1129 18.778,1130 5.337,1131 13.258,1132 1.496,1133 1.479,1134 1.533,1135 1.481,1136 1.481,1137 1.818,1138 0.07,1139 4.297,1140 1.448,1141 4.145,1142 4.178,1143 4.1,1144 4.07,1145 4.962,1146 4.073,1147 3.78,1148 3.853,1149 3.648,1150 3.639,1151 4.407,1152 3.632,1153 3.716,1154 3.777,1155 3.588,1156 3.575,1157 4.306,1158 3.569,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.056,1164 3.32,1165 3.395,1166 3.47,1167 3.219,1168 3.269,1169 4.04,1170 3.248,1171 3.201,1172 3.284,1173 3.026,1174 3.014,1175 3.88,1176 3.006,1177 2.977,1178 3.081,1179 2.797,1180 2.78,1181 3.689,1182 2.774,1183 2.874,1184 3.009,1185 2.597,1186 2.655,1187 3.467,1188 2.627,1189 0.2,1190 0.154,1191 0.31,1192 0.189,1193 0.145,1194 4.607,1195 0.196,1196 3.552,1197 0.035,1198 7.123,1199 0.51,1200 4.34,1201 0.145,1202 3.341,1203 4.517,1204 0.8,1205 11.737,1206 3.337,1207 1.991,1208 1.968,1209 2.101,1210 2.065,1211 1.339,1212 2.078,1213 1.767,1214 1.7,1215 2.001,1216 1.968,1217 1.281,1218 1.983,1219 1.633,1220 1.577,1221 1.862,1222 1.794,1223 1.106,1224 1.814,1225 1.579,1226 1.516,1227 1.861,1228 1.76,1229 1.09,1230 1.785,1231 1.539,1232 1.459,1233 1.79,1234 1.738,1235 0.942,1236 1.781,1237 1.233,1238 1.145,1239 1.515,1240 1.484,1241 0.634,1242 1.506,1243 0.981,1244 0.889,1245 1.417,1246 1.249,1247 0.477,1248 1.308,1249 0.934,1250 0.804,1251 1.417,1252 1.239,1253 0.469,1254 1.308,1255 3.85,1257 5.165,1258 2.398,1259 6.666,1260 4.727,1261 8.255,1262 6.823,1263 9.894,1265 11.383,1271 7.193,1276 2.59,1277 0.208,1280 29.945,1281 62.325,1282 149.263,1283 211.141,1284 235.97,1285 235.97,1286 235.97,1287 35.937,1288 6.554,1289 19.03,1290 19.03,1291 11,1292 12.21,1293 3.459,1294 2.585,1295 42.204,1296 73,1297 72,1298 0.287,1299 189.709,1300 319.48,1301 454.651,1302 5104,1304 16.165,1305 0.735,1306 0.682,1307 16.165,1308 14.999,1309 10.452,1310 0.454,1311 0.382,1312 8.732,1313 10.279,1314 8.262,1315 7.07,1316 10.452,1317 8.782,1318 9.658,1319 0.302,1320 0.232,1321 9.658,1322 7.416,1323 7.126,1324 0.183,1325 0.113,1326 7.126,1327 4.41,1328 5.69,1329 0.119,1330 0.065,1331 5.69,1332 3.098,1333 4.249,1334 0.075,1335 0.036,1336 4.249,1337 2.025,1338 0.446,1339 63.779,1340 0.263,1341 21.664,1342 0.798,1343 110,1344 191.978,1345 113.802,1346 197.229,1347 280.8,1348 186,1349 126,1350 215.085,1351 130.496,1352 226.158,1353 327.19,1354 211,1355 7.967} {0 CHEMBL343105,1 1.334,2 8.5,3 2.89,4 8.351,5 83.8,6 6.192,7 0.455,8 3.855,9 3.992,10 3.284,11 3.36,12 4.741,13 3.307,14 4.46,15 4.674,16 3.596,17 3.778,18 5.245,19 3.698,20 4.686,21 4.921,22 3.576,23 3.959,24 5.415,25 3.812,26 4.793,27 5.078,28 3.464,29 3.941,30 5.441,31 3.748,32 4.686,33 4.987,34 3.402,35 3.789,36 5.341,37 3.62,38 4.508,39 4.758,40 3.364,41 3.721,42 5.246,43 3.575,44 4.498,45 4.759,46 3.149,47 3.657,48 5.193,49 3.463,50 4.424,51 4.734,52 2.85,53 3.425,54 5.024,55 3.192,56 0.051,57 0.628,58 10.986,59 4.258,60 6.905,61 6.212,62 0.21,63 1.03,64 20.351,65 6.803,66 14.346,67 10.25,68 0.219,69 1.234,70 24.815,71 9.642,72 17.896,73 13.96,74 0.159,75 1.286,76 26.92,77 10.546,78 19.518,79 15.633,80 0.193,81 1.145,82 24.457,83 8.565,84 19.639,85 13.153,86 0.163,87 1.007,88 20.722,89 7.589,90 17.058,91 11.279,92 0.194,93 0.964,94 20.35,95 7.703,96 16.3,97 11.393,98 0.124,99 0.808,100 18.523,101 6.936,102 14.345,103 10.295,104 8,105 30,106 0.235,107 0.528,108 0.748,109 0.796,110 0.796,111 0.796,112 3.058,113 1.03,114 -3.43,115 -3.41,116 -3.26,119 38.6,121 2,122 1,124 2,125 4,140 4,141 2,149 1,150 1,169 8,172 5,178 10,181 1,182 3,189 9,193 3,199 4,203 7,211 3,215 3,222 2,225 1,226 3,237 3,259 488,260 13.637,261 13.637,262 13.637,263 13.637,264 13.637,265 12.533,266 16.798,267 8.216,268 14.014,269 10.886,270 10.886,271 10.886,272 10.886,273 10.886,274 9.15,275 16.545,276 3.936,277 11.441,278 4.126,279 2.462,280 1.216,281 0.943,282 0.943,283 0.943,284 3.74,287 1,288 1,289 1,290 363,291 2.739,294 42.246,295 105.869,298 74.793,302 1.35,303 8.43,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 42,315 170,316 4.56,317 3.21,318 6.566,319 4.09,320 3.118,321 4.508,322 0.86,323 10.432,324 3.037,325 3.943,326 2.948,327 6.092,328 3.727,329 2.743,330 3.289,331 0.8,332 8.876,333 2.696,334 3.411,335 2.57,336 5.144,337 3.17,338 2.244,339 2.709,341 6.077,342 2.078,343 3.148,344 2.323,345 4.625,346 2.887,347 1.949,348 2.183,350 5.024,351 1.821,352 3.019,353 2.031,354 4.497,355 2.744,356 1.795,357 2.104,359 4.617,360 1.704,361 2.704,362 1.458,363 4.106,364 2.262,365 1.307,366 1.781,368 3.417,369 1.244,370 2.327,371 1.241,372 3.511,373 2.068,374 1.133,375 1.3,377 2.684,378 1.046,379 2.103,380 1.2,381 3.269,382 1.969,383 1,384 1.003,386 2.136,387 0.963,388 2,389 0.859,390 3.247,391 1.759,392 0.787,393 1,395 1.826,396 0.763,397 1.568,398 0.445,399 2.879,400 1.333,401 0.365,402 0.433,404 0.85,405 0.352,406 0.86,407 -0.202,408 2.534,409 0.545,410 -0.427,411 -0.497,413 -1.048,414 -0.413,415 0.625,416 -0.522,417 2.161,418 0.164,419 -0.796,420 -0.89,422 -1.926,423 -0.756,424 0.282,425 -0.579,426 2,427 0.106,428 -0.872,429 -1,431 -2,432 -0.854,433 0.106,434 -0.6,435 1.858,436 -0.095,437 -1,438 -1,440 -2.347,441 -0.884,443 -0.848,444 1.555,445 -0.1,446 -1,447 -1.2,449 -2.615,450 -0.9,451 9.633,452 0.482,453 0.435,454 0.022,455 21,456 1.05,457 8,458 0.4,459 13,460 0.65,461 17.516,462 0.876,463 22.767,464 0.517,465 13.063,466 0.653,467 4.039,468 0.202,469 5.698,470 0.285,471 0.104,473 0.291,479 0.925,480 1.555,481 0.962,482 1.292,483 0.932,484 1.153,485 1.734,486 0.926,487 1.09,488 0.836,489 1.243,490 0.883,491 1.052,492 1.03,493 1.151,494 1.1,495 1.123,496 1.132,497 0.499,498 1.11,499 0.927,500 1.091,501 0.765,502 1.057,503 0.767,504 0.9,505 0.856,506 0.857,507 0.711,508 0.852,509 1.077,510 1.107,511 1.091,512 1.094,513 1.055,514 1.091,515 0.772,516 1.191,517 1.201,518 1.266,519 1.048,520 1.271,521 0.665,522 1.072,523 0.941,524 1.117,525 0.748,526 1.065,527 3.5,528 0.037,529 2.222,530 0.917,531 0.644,532 0.649,533 0.424,534 0.135,535 0.133,536 0.066,537 3755,538 7127,539 2.107,540 54.5,541 1,542 18,543 1,547 4,550 1.619,551 2,552 3.098,553 -0.836,555 1,557 1,559 58.689,560 1.334,561 2.998,562 4.243,563 4.516,564 4.516,565 4.516,566 2.528,567 3.922,568 4.289,569 3.215,570 610.849,571 7.335,572 6190.9,574 1,576 1,577 240.215,578 1.295,579 4.266,580 0.159,581 0.007,582 0.074,583 0.033,584 0.027,585 0.028,586 0.019,587 0.008,588 0.012,589 0.009,590 0.378,591 0.83,592 1,593 1.197,594 88.265,595 0.072,596 -0.284,597 0.091,598 -0.12,599 0.047,600 -0.03,601 -0.234,602 0.231,603 -0.018,604 0.179,605 -0.085,606 0.115,607 -0.102,608 0.039,609 -0.158,610 -0.052,611 -0.156,612 -0.104,613 0.047,614 -0.149,615 0.005,616 -0.083,617 -0.013,618 -0.051,619 0.01,620 0.074,621 0.106,622 0.089,623 0.087,624 0.107,625 -0.088,626 -0.062,627 -0.097,628 -0.082,629 -0.059,630 -0.088,631 0.042,632 -0.178,633 -0.235,634 -0.257,635 -0.141,636 -0.27,637 0.079,638 -0.185,639 -0.008,640 -0.163,641 0.113,642 -0.102,643 0.662,644 1.972,645 0.75,646 15.24,647 0.983,648 1.131,649 2.203,650 4.853,651 0.633,652 3.135,653 3.434,654 3.689,655 3.951,656 4.174,657 4.248,658 4.394,659 4.489,660 4.431,661 4.419,662 5.1,663 0.581,664 272.43,665 3.135,666 4.654,667 5.493,668 6.361,669 7.226,670 8.104,671 8.981,672 9.865,673 10.748,674 11.635,675 4.5,678 1,683 1,687 2,688 5,693 1,694 1,695 10,714 44,716 10,717 1,718 22,720 46,721 17,722 8,723 3,724 3,730 3,731 4,740 2,741 1,743 2,745 8,746 9,747 1,760 1,761 1,764 24,765 2,767 3,773 2,777 0.667,778 1,788 1,792 1,793 2,796 1,815 1,818 1,819 2,823 2,827 20,833 6,835 1,837 1,838 1,847 2.3,851 1,854 10,855 8.317,856 4.417,857 2.751,858 2.08,859 1.308,860 0.968,861 4.202,862 8.83,863 3.332,864 3.897,865 4.496,866 5.11,867 5.622,868 5.987,869 6.394,870 6.741,871 6.662,872 6.765,873 0.833,874 28,875 7.426,877 3.051,878 7.342,879 14.987,881 12.499,883 1.842,884 36.833,885 0.003,888 282.506,889 90.113,890 5.023,892 11,895 90.113,896 293.506,897 5.023,898 16.793,899 18.465,900 46.952,901 11,902 10.782,903 13.915,904 270.735,906 282.506,907 95.136,908 11,911 235.422,912 47.084,913 11,915 23.489,916 71.648,919 282.506,920 16.023,921 90.113,924 282.506,925 26.368,926 68.769,928 11,929 282.506,930 16.023,931 90.113,933 0.573,934 0.319,935 0.173,936 0.099,937 15,938 6,939 0.087,940 4,941 1,942 1.133,943 3.297,944 149.295,945 0.133,946 15,947 80.439,951 13.81,952 6.085,953 3.139,954 2.718,955 14.124,956 11.391,961 1.477,962 2.373,964 388.643,965 27,975 43.251,976 49.773,977 0.244,978 0.549,979 0.777,980 0.827,981 0.827,982 0.827,983 4.559,984 1,985 5.46,986 2.684,987 4.111,988 4.58,989 1.235,990 6.244,991 4.029,992 5.729,993 0.787,994 6.997,995 2.136,996 3.611,997 4.388,998 0.325,999 7.111,1000 3.501,1001 7.02,1002 0.365,1003 8.637,1004 1.826,1005 5.666,1006 6.787,1007 0.938,1008 10.208,1009 5.529,1010 8.353,1011 -0.427,1012 10.342,1013 0.85,1014 6.019,1015 7.532,1016 0.268,1017 11.954,1018 5.867,1019 9.727,1020 -0.796,1021 12.089,1022 -1.048,1023 7.526,1024 9.394,1025 0.732,1026 14.549,1027 7.347,1028 11.132,1029 -0.872,1030 13.866,1031 -1.926,1032 8.281,1033 10.565,1034 0.188,1035 16.64,1036 8.09,1037 12.559,1038 -1,1039 15.665,1040 -2,1041 9.558,1042 12.214,1043 0.57,1044 19.062,1045 9.341,1046 3.118,1047 -1,1048 17.479,1049 -2.347,1050 10.509,1051 13.574,1052 0.125,1053 21.292,1054 10.275,1055 2.743,1056 10.432,1057 19.305,1058 -2.615,1059 11.689,1060 15.136,1061 0.438,1062 23.653,1063 11.43,1064 2.244,1065 8.876,1066 21.14,1067 4.508,1068 12.732,1069 16.579,1070 0.082,1071 25.941,1072 12.452,1073 1.949,1074 6.077,1075 22.982,1076 3.289,1077 13.874,1078 18.107,1079 0.334,1080 28.282,1081 13.569,1082 1.795,1083 5.024,1084 24.829,1085 2.709,1086 14.96,1087 19.585,1088 0.054,1089 30.595,1090 14.632,1091 1.307,1092 4.617,1093 26.681,1094 2.183,1095 16.09,1096 21.099,1097 0.252,1098 32.931,1099 15.735,1100 1.133,1101 3.417,1102 28.536,1103 2.104,1104 17.197,1105 22.593,1106 0.035,1107 35.257,1108 16.816,1109 3692,1110 5142,1111 14.909,1112 27.841,1113 33.018,1114 32.933,1115 33.327,1116 32.926,1117 32.881,1118 40.619,1119 3.32,1120 91.88,1121 31.407,1122 5.56,1123 5.21,1124 6.368,1125 5.164,1126 5.118,1127 7.508,1128 1.72,1129 17.101,1130 5.037,1131 7.989,1132 1.501,1133 1.497,1134 1.515,1135 1.497,1136 1.495,1137 1.846,1138 0.151,1139 4.176,1140 1.428,1141 4.147,1142 4.182,1143 4.103,1144 4.062,1145 4.927,1146 4.068,1147 3.804,1148 3.851,1149 3.688,1150 3.662,1151 4.605,1152 3.661,1153 3.645,1154 3.729,1155 3.498,1156 3.436,1157 4.336,1158 3.44,1159 3.378,1160 3.441,1161 3.259,1162 3.207,1163 4.214,1164 3.21,1165 3.121,1166 3.206,1167 2.95,1168 2.952,1169 3.812,1170 2.939,1171 3.111,1172 3.196,1173 2.866,1174 2.941,1175 3.562,1176 2.91,1177 2.897,1178 3.009,1179 2.697,1180 2.736,1181 3.486,1182 2.716,1183 2.874,1184 2.97,1185 2.594,1186 2.618,1187 3.474,1188 2.57,1189 0.207,1190 0.146,1191 0.298,1192 0.186,1193 0.142,1194 4.56,1195 0.205,1196 3.21,1197 0.039,1198 6.566,1199 0.474,1200 4.09,1201 0.138,1202 3.118,1203 4.508,1204 0.86,1205 10.432,1206 3.037,1207 1.989,1208 1.964,1209 2.102,1210 2.084,1211 1.415,1212 2.09,1213 1.717,1214 1.666,1215 1.927,1216 1.937,1217 1.193,1218 1.94,1219 1.67,1220 1.606,1221 1.872,1222 1.842,1223 1.058,1224 1.854,1225 1.449,1226 1.37,1227 1.689,1228 1.69,1229 0.825,1230 1.696,1231 1.153,1232 1.083,1233 1.513,1234 1.376,1235 0.782,1236 1.429,1237 1.148,1238 1.064,1239 1.442,1240 1.344,1241 0.584,1242 1.379,1243 0.934,1244 0.849,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.921,1250 0.804,1251 1.213,1252 1.173,1253 0.437,1254 1.192,1255 3.807,1257 5.106,1258 2.398,1259 6.6,1260 4.727,1261 8.183,1262 6.823,1263 9.818,1265 4.248,1271 6.252,1273 5.472,1275 0.672,1276 2.23,1280 25.552,1281 58.689,1282 131.895,1283 186.705,1284 198.705,1285 198.705,1286 198.705,1287 23.214,1288 6.75,1289 17.4,1290 17.4,1291 17,1292 12.167,1293 3.459,1294 2.585,1295 29.922,1296 60,1297 59,1298 0.25,1299 157.535,1300 264.01,1301 376.146,1302 6769,1304 13.949,1305 0.697,1306 0.625,1307 13.949,1308 12.509,1309 9.737,1310 0.443,1311 0.343,1312 7.445,1313 9.369,1314 7.193,1315 5.976,1316 9.737,1317 7.551,1318 8.704,1319 0.29,1320 0.201,1321 8.704,1322 6.017,1323 7.034,1324 0.18,1325 0.11,1326 7.034,1327 4.279,1328 5.82,1329 0.114,1330 0.059,1331 5.82,1332 2.989,1333 4.792,1334 0.075,1335 0.033,1336 4.792,1337 2.116,1338 0.382,1339 60.779,1340 0.259,1341 19.849,1342 0.707,1343 104,1344 233.026,1345 110.709,1346 224.735,1347 312.63,1348 214,1349 121,1350 227.214,1351 128.515,1352 234.861,1353 341.82,1354 219,1355 8.432} {0 CHEMBL343196,1 1.49,2 13.286,3 2.887,4 8.335,5 111.702,6 7.01,7 0.645,8 4.089,9 4.221,10 3.6,11 3.6,12 5.152,13 3.58,14 4.612,15 4.782,16 3.924,17 3.998,18 5.601,19 3.949,20 4.84,21 5.058,22 3.931,23 4.091,24 5.766,25 4.006,26 4.821,27 5.038,28 3.843,29 4.076,30 5.713,31 3.966,32 4.857,33 5.108,34 3.765,35 3.968,36 5.768,37 3.841,38 4.786,39 5.04,40 3.58,41 3.824,42 5.657,43 3.71,44 4.599,45 4.837,46 3.498,47 3.719,48 5.52,49 3.604,50 4.547,51 4.801,52 3.407,53 3.656,54 5.399,55 3.529,56 0.067,57 0.796,58 12.25,59 4.791,60 11.798,61 6.565,62 0.171,63 1.232,64 21.808,65 8.304,66 22.708,67 11.352,68 0.398,69 1.422,70 28.897,71 10.373,72 37.026,73 14.507,74 0.181,75 1.436,76 27.59,77 10.358,78 25.907,79 14.751,80 0.331,81 1.383,82 29.745,83 10.55,84 39.344,85 15.23,86 0.396,87 1.207,88 28.791,89 9.077,90 40.881,91 12.855,92 0.346,93 1.046,94 23.234,95 7.842,96 35.545,97 11.143,98 0.319,99 0.976,100 22.167,101 7.634,102 28.407,103 10.923,104 13,105 42,106 0.246,107 0.582,108 0.706,109 0.735,110 0.735,111 0.735,112 3.374,113 0.933,114 -2.81,115 -2.82,116 -2.73,119 40.7,121 2,125 4,140 6,141 4,142 2,149 2,150 2,161 2,162 2,163 2,169 8,172 4,176 8,178 8,180 2,181 1,182 4,186 8,189 8,191 2,193 2,197 2,199 4,201 2,203 6,206 2,207 2,208 2,210 2,211 2,213 2,215 4,220 2,224 2,226 2,228 2,229 2,231 2,233 4,235 2,237 2,240 2,244 8,256 8,259 1192,260 19.602,261 19.602,262 19.602,263 19.602,264 19.602,265 17.343,266 16.164,267 11.902,268 20.029,269 15.277,270 15.277,271 15.277,272 15.277,273 15.277,274 11.745,275 13.888,276 5.504,277 15.961,278 4.265,279 2.223,280 1.472,281 1.296,282 1.296,283 1.296,284 4.076,288 1,289 1,290 814,291 3.464,294 140.869,295 154.667,298 245.055,302 1.857,303 19.756,305 1,306 0.75,307 0.83,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 60,315 372,316 4.551,317 3.191,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.043,325 4.55,326 3.182,327 6.546,328 4.075,329 3.091,330 4.504,331 0.86,332 10.36,333 3.042,334 3.728,335 2.825,336 5.325,337 3.346,338 2.412,339 3.137,341 6.887,342 2.252,343 3.701,344 2.72,345 5.308,346 3.302,347 2.357,348 3.121,350 6.839,351 2.227,352 3.349,353 2.184,354 5.098,355 2.953,356 1.983,357 2.676,359 5.918,360 1.913,361 3.343,362 2.153,363 5.094,364 2.934,365 1.965,366 2.672,368 5.911,369 1.895,370 2.762,371 1.759,372 4.162,373 2.386,374 1.461,375 1.865,377 3.566,378 1.343,379 2.743,380 1.399,381 4.156,382 2.303,383 1.324,384 1.847,386 3.509,387 1.295,388 2.532,389 1.389,390 3.618,391 2.28,392 1.302,393 1.536,395 2.989,396 1.266,397 2.334,398 1.245,399 3.34,400 2.023,401 1.077,402 1.296,404 2.133,405 1.016,406 2.29,407 1.147,408 3.31,409 1.998,410 1.044,411 1.249,413 2.056,414 0.992,415 1.998,416 1.032,417 3.072,418 1.65,419 0.714,420 0.893,422 1.466,423 0.663,424 1.956,425 0.747,426 3.025,427 1.58,428 0.625,429 0.819,431 1.28,432 0.595,433 1.57,434 0.674,435 2.934,436 1.261,437 0.379,438 0.442,440 0.844,441 0.332,442 1.058,443 0.103,444 2.484,445 0.74,446 -0.197,447 -0.232,449 -0.406,450 -0.183,451 13.267,452 0.474,453 0.478,454 0.017,455 35,456 1.25,457 17,458 0.607,459 18,460 0.643,461 22.51,462 0.804,463 30.533,464 0.565,465 24.713,466 0.883,467 7.035,468 0.251,469 6.744,470 0.241,471 0.06,473 0.302,479 1.077,480 1.144,481 0.888,482 1.004,483 1.226,484 0.919,485 1.243,486 1.099,487 0.974,488 1.037,489 1.025,490 0.981,491 1.188,492 0.946,493 0.974,494 0.926,495 0.978,496 0.93,497 0.919,498 1.216,499 1.093,500 1.247,501 0.823,502 1.201,503 0.769,504 1.089,505 0.966,506 1.197,507 0.771,508 1.124,509 1.726,510 0.919,511 1.127,512 0.929,513 1.362,514 0.957,515 1.277,516 0.998,517 1.105,518 1.063,519 0.975,520 1.071,521 1.078,522 0.891,523 1.008,524 0.997,525 0.921,526 1.001,527 4.5,528 0.096,529 2.889,530 1.583,531 1.227,532 0.681,533 0.434,534 0.224,535 0.103,536 0.193,537 11561,538 26629,539 2.137,540 48.1,542 14,543 2,545 6,547 4,550 1.703,551 2.049,552 3.669,553 3.286,554 1,555 1,559 80.445,560 1.49,561 3.532,562 4.282,563 4.459,564 4.459,565 4.459,566 3.039,567 3.664,568 4.783,569 3.835,570 1449.7,571 8.274,572 20452.3,574 1,576 1,577 310.764,578 1.198,579 4.76,580 0.145,581 0.004,582 0.069,583 0.039,584 0.034,585 0.022,586 0.017,587 0.009,588 0.005,589 0.009,590 0.352,591 0.17,592 1,593 0.988,594 144.4,595 -0.113,596 0.085,597 0.032,598 0.068,599 -0.193,600 0.079,601 -0.131,602 0.003,603 -0.021,604 0.015,605 -0.092,606 0.015,607 -0.017,608 0.049,609 0.01,610 0.089,611 -0.037,612 0.059,613 -0.065,614 -0.188,615 -0.148,616 -0.22,617 -0.082,618 -0.197,619 0.204,620 -0.134,621 0.015,622 -0.212,623 0.167,624 -0.138,625 -0.221,626 -0.013,627 -0.083,628 0.018,629 -0.172,630 -0.01,631 0.007,632 -0.046,633 -0.096,634 -0.087,635 0.083,636 -0.104,637 0.075,638 0.036,639 -0.006,640 -0.018,641 0.015,642 -0.021,643 1.025,644 2.38,645 0.643,646 26.857,647 0.996,648 1.129,649 1.577,650 2.487,651 0.654,652 3.466,653 3.761,654 4.06,655 4.344,656 4.522,657 4.575,658 4.654,659 4.691,660 4.575,661 4.615,662 7.693,663 0.617,664 378.52,665 3.466,666 4.99,667 5.844,668 6.718,669 7.591,670 8.473,671 9.354,672 10.238,673 11.122,674 12.007,675 7.4,676 2,683 2,687 4,688 8,690 2,693 4,695 20,712 2,714 54,716 20,717 2,718 31,720 57,721 22,722 16,723 6,724 6,730 4,731 6,736 2,743 2,745 16,746 6,761 1,764 26,765 4,766 6,767 6,773 4,777 0.5,778 2,788 2,792 2,793 2,796 2,812 2,819 2,827 28,828 2,833 6,835 2,847 3.7,852 2,854 13.667,855 9.167,856 6.361,857 3.181,858 3.932,859 1.506,860 1.027,861 5.976,862 11.705,863 3.738,864 4.376,865 5.045,866 5.695,867 6.193,868 6.51,869 6.861,870 7.169,871 6.932,872 7.006,873 0.889,874 41,875 10.324,877 4.318,878 7.583,879 20.087,881 16.534,883 2.083,884 58.333,887 1,888 235.422,889 119.71,890 99.365,892 22,895 119.71,896 257.422,897 99.365,899 84.26,900 74.952,902 77.575,903 27.83,904 211.88,906 235.422,907 219.075,908 22,911 188.338,912 69.084,915 117.831,916 101.245,919 235.422,920 121.365,921 119.71,924 235.422,925 44.757,926 74.952,927 33.571,928 87.794,929 235.422,930 121.365,931 119.71,933 0.562,934 0.336,935 0.196,936 0.108,937 20,938 8,939 0.158,940 9,941 2,942 1.222,943 4.174,944 233.22,945 0.222,946 18,947 106.606,951 19.024,952 8.795,953 4.257,954 4.517,955 87.794,956 16.144,958 6.537,961 4.097,963 99.365,964 476.497,965 41,975 53.781,976 60.979,977 0.259,978 0.614,979 0.744,980 0.775,981 0.775,982 0.775,983 4.949,984 1.324,985 5.802,986 3.566,987 4.443,988 5.063,989 1.376,990 6.603,991 4.367,992 6.152,993 1.302,994 7.345,995 3.509,996 3.892,997 4.913,999 7.476,1000 3.816,1001 7.464,1002 1.077,1003 8.992,1004 2.989,1005 6.014,1006 7.374,1007 1.159,1008 10.591,1009 5.889,1010 8.822,1011 1.044,1012 10.701,1013 2.133,1014 6.365,1015 8.146,1017 12.345,1018 6.246,1019 10.218,1020 0.714,1021 12.452,1022 2.056,1023 7.888,1024 10.03,1025 0.963,1026 14.948,1027 7.735,1028 11.641,1029 0.625,1030 14.233,1031 1.466,1032 8.66,1033 11.211,1035 17.056,1036 8.512,1037 13.086,1038 0.379,1039 16.034,1040 1.28,1041 9.942,1042 12.87,1043 0.787,1044 19.489,1045 9.769,1046 3.092,1047 -0.197,1048 17.852,1049 0.844,1050 10.91,1051 14.236,1053 21.737,1054 10.736,1055 3.091,1056 10.36,1057 19.682,1058 -0.406,1059 12.094,1060 15.803,1061 0.634,1062 24.11,1063 11.903,1064 2.412,1065 10.36,1066 21.521,1067 4.504,1068 13.152,1069 17.249,1071 26.413,1072 12.953,1073 2.357,1074 6.887,1075 23.369,1076 4.504,1077 14.299,1078 18.779,1079 0.504,1080 28.764,1081 14.085,1082 1.983,1083 6.839,1084 25.222,1085 3.137,1086 15.395,1087 20.258,1089 31.088,1090 15.171,1091 1.965,1092 5.918,1093 27.081,1094 3.121,1095 16.528,1096 21.774,1097 0.395,1098 33.431,1099 16.29,1100 1.461,1101 5.911,1102 28.943,1103 2.676,1104 17.642,1105 23.268,1107 35.763,1108 17.391,1109 10874,1110 16616,1111 21.266,1112 35.307,1113 45.78,1114 46.237,1115 47.198,1116 45.6,1117 45.653,1118 61.118,1119 3.44,1120 128.233,1121 43.749,1122 5.446,1123 5.191,1124 6.313,1125 5.185,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.043,1131 10.484,1132 1.477,1133 1.492,1134 1.523,1135 1.471,1136 1.473,1137 1.972,1138 0.111,1139 4.137,1140 1.411,1141 4.148,1142 4.179,1143 4.105,1144 4.06,1145 5.057,1146 4.067,1147 4.109,1148 4.141,1149 4.07,1150 4.026,1151 5.02,1152 4.033,1153 3.624,1154 3.667,1155 3.521,1156 3.449,1157 4.967,1158 3.456,1159 3.554,1160 3.622,1161 3.433,1162 3.414,1163 4.947,1164 3.41,1165 3.479,1166 3.559,1167 3.312,1168 3.259,1169 4.645,1170 3.263,1171 3.338,1172 3.408,1173 3.207,1174 3.108,1175 4.49,1176 3.121,1177 3.229,1178 3.305,1179 3.075,1180 3.043,1181 4.059,1182 3.041,1183 2.952,1184 3.024,1185 2.82,1186 2.797,1187 3.915,1188 2.794,1189 0.147,1190 0.103,1191 0.211,1192 0.131,1193 0.1,1194 4.551,1195 0.145,1196 3.191,1197 0.028,1198 6.546,1199 0.334,1200 4.076,1201 0.098,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.043,1207 1.94,1208 1.923,1209 2.027,1210 2.036,1211 1.228,1212 2.032,1213 1.931,1214 1.913,1215 2.015,1216 2.014,1217 1.223,1218 2.014,1219 1.65,1220 1.593,1221 1.854,1222 1.846,1223 1.037,1224 1.855,1225 1.648,1226 1.589,1227 1.85,1228 1.845,1229 1.014,1230 1.853,1231 1.443,1232 1.393,1233 1.702,1234 1.709,1235 0.942,1236 1.704,1237 1.284,1238 1.198,1239 1.523,1240 1.573,1241 0.556,1242 1.566,1243 1.267,1244 1.177,1245 1.517,1246 1.54,1247 0.555,1248 1.545,1249 0.983,1250 0.939,1251 1.195,1252 1.225,1253 0.262,1254 1.219,1255 4.143,1257 5.442,1258 3.045,1259 6.936,1260 5.416,1261 8.527,1262 7.516,1263 10.171,1269 11.373,1271 3.904,1273 11.761,1280 33.31,1281 80.445,1282 190.725,1283 231.254,1284 240.764,1285 240.764,1286 240.764,1287 38.825,1288 7.773,1289 102.08,1290 102.08,1291 22,1292 12.539,1293 4.392,1294 3.459,1295 42.855,1296 134,1297 115,1298 0.156,1299 203.979,1300 336.58,1301 489.468,1302 29500,1304 19.347,1305 0.691,1306 0.565,1307 19.347,1308 15.833,1309 13.78,1310 0.445,1311 0.311,1312 9.509,1313 13.282,1314 9.347,1315 7.714,1316 13.78,1317 9.64,1318 11.743,1319 0.28,1320 0.162,1321 11.743,1322 6.817,1323 10.135,1324 0.178,1325 0.086,1326 10.135,1327 4.926,1328 8.723,1329 0.115,1330 0.047,1331 8.723,1332 3.538,1333 6.939,1334 0.076,1335 0.025,1336 6.939,1337 2.29,1338 0.255,1339 86.109,1340 0.217,1341 27.403,1342 0.399,1343 146,1344 376.761,1345 157.915,1346 364.171,1347 512.14,1348 346,1349 172,1350 385.698,1351 183.751,1352 389.47,1353 572.7,1354 370,1355 9} {0 CHEMBL343217,1 1.523,2 15.714,3 3.383,4 11.442,5 138.587,6 7.01,7 0.538,8 4.314,9 4.451,10 3.837,11 3.815,12 5.341,13 3.791,14 4.888,15 5.082,16 4.165,17 4.235,18 5.832,19 4.181,20 5.153,21 5.392,22 4.169,23 4.397,24 6.016,25 4.287,26 5.266,27 5.531,28 4.116,29 4.432,30 6.048,31 4.289,32 5.294,33 5.575,34 4.095,35 4.409,36 6.012,37 4.259,38 5.258,39 5.527,40 4.104,41 4.377,42 6.056,43 4.242,44 5.233,45 5.505,46 4.029,47 4.334,48 6.077,49 4.183,50 5.171,51 5.472,52 3.835,53 4.208,54 5.921,55 4.036,56 0.057,57 1.108,58 15.307,59 6.126,60 12.596,61 8.557,62 0.312,63 1.779,64 29.289,65 10.173,66 29.97,67 14.562,68 0.383,69 2.146,70 39.327,71 13.921,72 43.963,73 20.277,74 0.386,75 2.207,76 44.825,77 15.929,78 48.85,79 23.48,80 0.403,81 2.131,82 46.703,83 16.245,84 45.704,85 24.295,86 0.526,87 2.14,88 45.266,89 15.336,90 51.198,91 22.625,92 0.661,93 2.104,94 44.454,95 15.059,96 67.114,97 22.128,98 0.415,99 1.943,100 42.149,101 13.741,102 46.179,103 20.856,104 7,105 53,106 0.239,107 0.581,108 0.78,109 0.835,110 0.848,111 0.848,112 3.588,113 0.952,114 -5.15,115 -5.05,116 -4.73,119 39.7,121 4,124 1,125 4,127 2,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 5,176 6,178 10,182 4,184 1,186 5,189 7,193 8,195 1,197 3,199 7,203 10,206 1,211 8,215 5,218 1,220 1,222 7,225 1,226 5,229 2,231 1,233 2,236 1,237 5,242 3,244 3,249 1,254 1,256 5,259 2318,260 24.317,261 24.317,262 24.317,263 24.317,264 24.317,265 21.877,266 32.274,267 14.61,268 24.953,269 19.255,270 19.255,271 19.255,272 19.255,273 19.255,274 15.641,275 42.715,276 6.892,277 20.224,278 4.564,279 2.391,280 1.12,281 0.769,282 0.688,283 0.688,284 4.298,289 1,290 1215,291 3.674,294 195.907,295 371.007,298 168.131,302 2.4,303 24.662,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 75.5,315 550,316 4.568,317 3.21,318 6.566,319 4.099,320 3.118,321 4.518,322 0.86,323 10.431,324 3.062,325 4.134,326 3.196,327 6.169,328 3.869,329 2.896,330 3.731,331 0.8,332 9.176,333 2.819,334 4.129,335 2.903,336 6.095,337 3.69,338 2.753,339 3.676,340 0.657,341 8.884,342 2.578,343 3.7,344 2.876,345 5.481,346 3.569,347 2.617,348 2.901,350 7.345,351 2.492,352 3.557,353 2.821,354 5.164,355 3.27,356 2.336,357 2.813,359 6.445,360 2.169,361 3.429,362 2.368,363 5.119,364 3.087,365 2.129,366 2.631,368 6.014,369 2.038,370 3.251,371 2.179,372 5.005,373 2.982,374 2.013,375 2.588,377 5.954,378 1.936,379 3.172,380 2.068,381 4.514,382 2.73,383 1.776,384 2.207,386 4.655,387 1.69,388 2.745,389 1.795,390 4.278,391 2.457,392 1.532,393 1.849,395 3.961,396 1.409,397 2.696,398 1.413,399 4.133,400 2.31,401 1.328,402 1.718,404 3.48,405 1.302,406 2.5,407 1.343,408 3.474,409 2.091,410 1.13,411 1.5,413 2.537,414 1.083,415 2.426,416 1.152,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.258,425 1.077,426 3.414,427 1.984,428 1,429 1.201,431 2.275,432 0.983,433 2.118,434 1,435 3.319,436 1.865,437 0.922,438 1,440 2.101,441 0.866,442 2.009,443 0.932,444 3.187,445 1.759,446 0.873,447 0.943,449 1.646,450 0.766,451 16.519,452 0.472,453 0.653,454 0.019,455 41.25,456 1.179,457 18,458 0.514,459 23.25,460 0.664,461 33.899,462 0.969,463 38.681,464 0.569,465 30.409,466 0.869,467 8.136,468 0.232,469 9.055,470 0.259,471 0.048,473 0.291,477 1,479 0.746,480 1.297,481 0.824,482 1.173,483 0.549,484 1.036,485 1.077,486 1.037,487 1.001,488 0.977,489 0.656,490 0.975,491 0.875,492 1.037,493 1.046,494 1.075,495 0.773,496 1.082,497 0.726,498 0.952,499 0.993,500 1.083,501 0.627,502 1.081,503 0.634,504 0.843,505 0.873,506 0.986,507 0.409,508 0.973,509 0.868,510 0.88,511 0.956,512 0.986,513 0.667,514 0.992,515 0.828,516 0.983,517 1.03,518 1.061,519 0.897,520 1.081,521 0.761,522 0.945,523 0.963,524 0.996,525 0.795,526 1.004,527 6,528 0.124,529 3.778,530 1.382,531 1.388,532 0.993,533 0.606,534 0.438,535 0.278,536 0.158,537 22379,538 56077,539 2.158,540 48.5,541 2,542 20,543 1,544 2,545 2,547 2,548 4,550 1.761,551 2.079,552 3.892,553 0.162,559 103.591,560 1.523,561 3.696,562 4.967,563 5.319,564 5.4,565 5.4,566 3.341,567 4.786,568 5.104,569 4.117,570 2449.48,571 8.92,572 41556,577 413.947,578 1.15,579 5.086,580 0.154,581 0.005,582 0.071,583 0.027,584 0.03,585 0.022,586 0.013,587 0.011,588 0.008,589 0.005,590 0.346,591 0.17,592 0.75,593 0.676,594 194.829,595 0.02,596 -0.141,597 0.071,598 -0.066,599 0.041,600 -0.004,601 -0.109,602 0.02,603 -0.05,604 0.045,605 0.015,606 0.011,607 -0.057,608 -0.029,609 -0.098,610 -0.055,611 0.008,612 -0.076,613 -0.018,614 -0.052,615 -0.047,616 -0.076,617 0.003,618 -0.067,619 0.03,620 -0.043,621 0.076,622 0.001,623 0.038,624 0.038,625 0.009,626 -0.008,627 0.016,629 0.019,630 0.005,631 0.098,632 -0.048,633 -0.05,634 -0.073,635 0.006,636 -0.086,638 -0.062,639 0.013,640 -0.039,641 -0.005,642 -0.014,643 1.873,644 5.317,645 0.743,646 43.22,647 0.997,648 1.138,649 3.925,650 15.405,651 0.648,652 3.689,653 3.989,654 4.263,655 4.511,656 4.7,657 4.779,658 4.89,659 5.017,660 5.05,661 5.063,662 9.25,663 0.612,664 476.66,665 3.689,666 5.22,667 6.066,668 6.93,669 7.792,670 8.661,671 9.529,672 10.401,673 11.272,674 12.146,675 8.8,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 68,716 21,717 2,718 39,720 72,721 27,722 16,723 5,724 7,730 5,731 6,740 3,743 6,745 16,746 11,762 1,764 33,765 6,766 2,767 8,773 6,777 0.8,778 1,788 1,792 2,793 3,796 1,814 1,815 1,818 1,819 4,823 1,825 1,827 35,833 8,834 1,835 1,837 2,838 1,844 1,846 1,847 1.5,851 1,854 16.833,855 12.11,856 7.778,857 4.172,858 3.516,859 1.422,860 0.994,861 7.772,862 11.851,863 3.922,864 4.489,865 5.07,866 5.644,867 6.092,868 6.424,869 6.832,870 7.237,871 7.418,872 7.62,873 1,874 51,875 12.957,877 5.469,878 7.59,879 25.412,881 21.271,883 2.09,884 73.167,888 364.904,889 147.515,890 73.146,892 11,893 14.96,895 147.515,896 375.904,897 88.106,898 10.883,899 21.048,900 93.392,901 85.105,902 42.631,903 28.875,904 329.591,906 364.904,907 220.661,908 25.96,911 309.238,912 70.627,913 11,915 78.104,916 109.23,917 33.326,919 379.864,920 84.146,921 147.515,924 364.904,925 44.014,926 108.525,927 34.796,928 59.286,929 364.904,930 99.106,931 147.515,933 0.571,934 0.333,935 0.182,936 0.098,937 25,938 10,939 0.139,940 10,941 1,942 1.077,943 4.821,944 319.396,945 0.077,946 26,947 167.525,951 23.989,952 11.34,953 5.921,954 2.43,955 80.421,956 18.736,957 7.828,958 3.407,961 3.294,962 1.932,963 34.796,964 611.525,965 49.5,975 67.821,976 77.352,977 0.25,978 0.607,979 0.816,980 0.874,981 0.887,982 0.887,983 5.149,984 1.776,985 6.023,986 5.954,987 4.673,988 5.176,989 1.459,990 6.797,991 4.586,992 6.319,993 1.532,994 7.553,995 4.655,996 4.111,997 4.844,998 0.325,999 7.609,1000 3.981,1001 7.602,1002 1.328,1003 9.182,1004 3.961,1005 6.229,1006 7.337,1007 1.074,1008 10.692,1009 6.071,1010 8.922,1011 1.13,1012 10.87,1013 3.48,1014 6.538,1015 7.943,1016 0.268,1017 12.369,1018 6.344,1019 10.279,1020 1,1021 12.598,1022 2.537,1023 8.057,1024 9.841,1025 0.807,1026 14.936,1027 7.842,1028 11.663,1029 1,1030 14.354,1031 2.275,1032 8.77,1033 10.897,1034 0.188,1035 16.969,1036 8.527,1037 13.066,1038 0.922,1039 16.13,1040 2.275,1041 10.042,1042 12.553,1043 0.608,1044 19.364,1045 9.781,1046 3.118,1047 0.873,1048 17.92,1049 2.101,1050 10.954,1051 13.832,1052 0.125,1053 21.553,1054 10.67,1055 2.896,1056 10.431,1057 19.723,1058 1.646,1059 12.121,1060 15.388,1061 0.458,1062 23.89,1063 11.821,1064 2.753,1065 9.176,1066 21.535,1067 4.518,1068 13.13,1069 16.778,1070 0.082,1071 26.149,1072 12.812,1073 2.617,1074 8.884,1075 23.355,1076 3.731,1077 14.256,1078 18.294,1079 0.343,1080 28.469,1081 13.922,1082 2.336,1083 7.345,1084 25.181,1085 3.676,1086 15.313,1087 19.739,1088 0.054,1089 30.76,1090 14.965,1091 2.129,1092 6.445,1093 27.013,1094 2.901,1095 16.424,1096 21.242,1097 0.256,1098 33.078,1099 16.061,1100 2.013,1101 6.014,1102 28.849,1103 2.813,1104 17.507,1105 22.715,1106 0.035,1107 35.387,1108 17.13,1109 20655,1110 32865,1111 26.929,1112 44.086,1113 58.08,1114 57.906,1115 58.527,1116 57.61,1117 57.554,1118 73.113,1119 4.635,1120 160.596,1121 54.898,1122 5.568,1123 5.21,1124 6.329,1125 5.159,1126 5.118,1127 7.518,1128 1.72,1129 17.095,1130 5.062,1131 12.064,1132 1.489,1133 1.485,1134 1.501,1135 1.477,1136 1.476,1137 1.875,1138 0.119,1139 4.118,1140 1.408,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 8.201,1146 4.07,1147 3.966,1148 4.009,1149 3.898,1150 3.875,1151 5.135,1152 3.875,1153 3.85,1154 3.913,1155 3.79,1156 3.702,1157 4.927,1158 3.701,1159 3.82,1160 3.888,1161 3.731,1162 3.586,1163 4.712,1164 3.623,1165 3.565,1166 3.63,1167 3.438,1168 3.396,1169 4.556,1170 3.397,1171 3.478,1172 3.532,1173 3.337,1174 3.279,1175 4.368,1176 3.288,1177 3.289,1178 3.356,1179 3.175,1180 3.117,1181 4.256,1182 3.121,1183 3.171,1184 3.257,1185 2.999,1186 2.941,1187 4.046,1188 2.911,1189 0.117,1190 0.082,1191 0.168,1192 0.105,1193 0.08,1194 4.568,1195 0.116,1196 3.21,1197 0.022,1198 6.566,1199 0.267,1200 4.099,1201 0.079,1202 3.118,1203 4.518,1204 0.86,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.079,1210 2.071,1211 1.432,1212 2.078,1213 1.927,1214 1.896,1215 2.038,1216 2.048,1217 1.281,1218 2.046,1219 1.83,1220 1.771,1221 1.997,1222 1.982,1223 1.192,1224 1.989,1225 1.663,1226 1.608,1227 1.872,1228 1.83,1229 1.113,1230 1.847,1231 1.453,1232 1.398,1233 1.694,1234 1.711,1235 0.843,1236 1.705,1237 1.402,1238 1.332,1239 1.589,1240 1.661,1241 0.825,1242 1.641,1243 1.316,1244 1.251,1245 1.513,1246 1.536,1247 0.752,1248 1.537,1249 1.153,1250 1.064,1251 1.503,1252 1.442,1253 0.583,1254 1.435,1255 4.369,1257 5.673,1258 3.045,1259 7.163,1260 5.283,1261 8.738,1262 7.286,1263 10.359,1265 1.713,1267 13.317,1271 8.25,1272 3.739,1273 5.422,1275 0.531,1276 2.568,1280 41.602,1281 103.591,1282 251.328,1283 337.767,1284 361.683,1285 367.193,1286 367.193,1287 54.932,1288 8.335,1289 71,1290 71,1291 28,1292 12.687,1293 4.459,1294 3.524,1295 52.664,1296 200,1297 174,1298 0.126,1299 252.41,1300 427.36,1301 607.641,1302 60717,1303 1.5,1304 24.037,1305 0.687,1306 0.576,1307 23.167,1308 20.16,1309 17.191,1310 0.441,1311 0.317,1312 12.175,1313 16.436,1314 11.934,1315 9.856,1316 16.797,1317 12.372,1318 15.001,1319 0.283,1320 0.177,1321 14.379,1322 9.359,1323 12.845,1324 0.184,1325 0.1,1326 12.435,1327 7.019,1328 10.622,1329 0.118,1330 0.056,1331 10.471,1332 5.071,1333 8.357,1334 0.077,1335 0.033,1336 8.133,1337 3.602,1338 0.207,1339 108.269,1340 0.193,1341 33.139,1342 0.32,1343 184,1344 523.093,1345 201.202,1346 481.551,1347 657.8,1348 454,1349 215,1350 481.114,1351 232.919,1352 484.602,1353 701.11,1354 454,1355 8.854} {0 CHEMBL343492,1 1.312,2 8.5,3 2.836,4 8.042,5 83.04,6 6.805,7 0.727,8 3.742,9 3.877,10 3.255,11 3.304,12 4.766,13 3.261,14 4.267,15 4.476,16 3.558,17 3.685,18 5.178,19 3.623,20 4.445,21 4.657,22 3.538,23 3.831,24 5.313,25 3.711,26 4.581,27 4.852,28 3.424,29 3.794,30 5.342,31 3.632,32 4.469,33 4.756,34 3.357,35 3.65,36 5.232,37 3.515,38 4.279,39 4.51,40 3.316,41 3.611,42 5.137,43 3.484,44 4.305,45 4.556,46 3.094,47 3.533,48 5.112,49 3.357,50 4.187,51 4.495,52 2.748,53 3.269,54 4.893,55 3.065,56 0.039,57 0.576,58 8.683,59 3.461,60 8.151,61 4.98,62 0.149,63 0.932,64 15.739,65 5.263,66 13.325,67 7.875,68 0.143,69 1.063,70 18.601,71 7.435,72 15.846,73 10.702,74 0.123,75 1.124,76 22.011,77 8.712,78 20.487,79 12.769,80 0.167,81 1.018,82 20.094,83 6.986,84 19.041,85 10.531,86 0.127,87 0.881,88 15.92,89 6.24,90 14.706,91 9.052,92 0.088,93 0.864,94 16.454,95 6.585,96 16.069,97 9.606,98 0.115,99 0.722,100 15.229,101 5.585,102 15.715,103 8.347,104 8,105 30,106 0.234,107 0.552,108 0.736,109 0.834,110 0.843,111 0.843,112 3.058,113 0.938,114 -3.18,115 -3.18,116 -3.05,119 43.6,124 2,125 2,140 6,141 3,143 2,149 1,150 1,169 8,172 5,178 9,181 1,182 4,189 8,193 4,199 5,203 5,211 3,214 1,215 4,222 2,226 3,233 1,237 1,248 1,249 1,259 488,260 13.637,261 13.637,262 13.637,263 13.637,264 13.637,265 11.82,266 7.634,267 8.216,268 13.926,269 10.886,270 10.886,271 10.886,272 10.886,273 10.886,274 8.181,275 7.5,276 3.936,277 11.324,278 3.973,279 2.186,280 1.154,281 0.603,282 0.552,283 0.552,284 3.74,287 1,288 1,289 1,290 363,291 2.739,294 42.246,295 105.869,298 74.793,302 1.35,303 5.937,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41.5,315 170,316 4.568,317 3.149,318 6.566,319 4.089,320 3.118,321 4.518,322 0.8,323 10.432,324 3.036,325 4.116,326 2.764,327 6.092,328 3.727,329 2.743,330 3.709,332 8.876,333 2.695,334 3.454,335 2.563,336 5.144,337 3.17,338 2.244,339 2.826,341 6.077,342 2.079,343 3.288,344 2.062,345 4.625,346 2.893,347 1.949,348 2.625,350 5.024,351 1.836,352 3.145,353 1.807,354 4.497,355 2.767,356 1.795,357 2.182,359 4.617,360 1.74,361 2.779,362 1.321,363 4.106,364 2.284,365 1.307,366 1.907,368 3.417,369 1.274,370 2.599,371 1.154,372 3.511,373 2.113,374 1.133,375 1.645,377 2.684,378 1.109,379 2.5,380 1,381 3.269,382 1.956,383 1,384 1.5,386 2.136,387 0.953,388 2.172,389 0.839,390 3.247,391 1.765,392 0.787,393 1.051,395 1.826,396 0.768,397 1.576,398 0.43,399 2.879,400 1.334,401 0.365,402 0.437,404 0.85,405 0.353,406 0.945,407 -0.347,408 2.534,409 0.55,410 -0.427,411 -0.553,413 -1.048,414 -0.416,415 0.631,416 -0.6,417 2.161,418 0.164,419 -0.796,420 -0.996,422 -1.926,423 -0.755,424 0.584,425 -0.666,426 2,427 0.107,428 -0.872,429 -1,431 -2,432 -0.853,433 0.5,434 -0.871,435 1.858,436 -0.026,437 -1,438 -1.3,440 -2.347,441 -0.9,442 0.141,443 -1,444 1.555,445 -0.1,446 -1,447 -1.493,449 -2.615,450 -0.974,451 9.7,452 0.485,453 0.435,454 0.022,455 27,456 1.35,457 14,458 0.7,459 13,460 0.65,461 13.286,462 0.664,463 20.9,464 0.536,465 17.293,466 0.865,467 5.527,468 0.276,469 4.21,470 0.21,471 0.103,473 0.289,479 0.951,480 1.451,481 0.861,482 1.131,483 0.869,484 1.014,485 1.786,486 0.853,487 0.979,488 0.712,489 0.961,490 0.766,491 0.98,492 1.036,493 1.128,494 1.12,495 0.953,496 1.133,497 0.659,498 1.07,499 0.908,500 1.052,501 0.807,502 1.01,503 1.221,504 0.835,505 0.869,506 0.763,507 0.846,508 0.782,509 0.911,510 1.025,511 1.057,512 1.078,513 0.938,514 1.08,515 0.765,516 1.288,517 1.157,518 1.321,519 1.079,520 1.281,521 0.975,522 0.879,523 0.983,524 0.934,525 1.157,526 0.955,527 3.5,528 0.037,529 2.222,530 0.917,531 0.644,532 0.649,533 0.424,534 0.135,535 0.133,536 0.066,537 3755,538 7992,539 2.107,540 48.7,542 16,543 1,544 2,550 1.619,551 2,552 3.098,553 -0.836,555 1,557 1,559 51.178,560 1.312,561 3.099,562 4.131,563 4.683,564 4.734,565 4.734,566 2.528,567 3.922,568 4.289,569 3.215,570 610.849,571 7.335,572 6190.9,573 1,574 1,575 1,576 1,577 206.131,578 1.295,579 4.266,580 0.159,581 0.007,582 0.074,583 0.033,584 0.027,585 0.028,586 0.019,587 0.008,588 0.012,589 0.009,590 0.378,591 0.83,592 1,593 1.197,594 88.265,595 0.097,596 -0.297,597 0.081,598 -0.111,599 0.054,600 -0.033,601 -0.295,602 0.29,603 0.017,604 0.231,605 -0.022,606 0.165,607 -0.064,608 0.004,609 -0.179,610 -0.117,611 -0.099,612 -0.151,613 0.088,614 -0.148,615 0.053,616 -0.055,617 0.072,618 -0.013,619 -0.065,620 0.135,621 0.131,622 0.182,623 0.105,624 0.175,625 0.022,626 -0.012,627 -0.099,628 -0.087,629 -0.024,630 -0.1,631 -0.01,632 -0.342,633 -0.208,634 -0.325,635 -0.137,636 -0.29,637 -0.053,638 0.02,639 0.003,640 0.025,641 -0.078,642 0.02,643 0.505,644 1.197,645 0.75,646 15.24,647 0.984,648 1.124,649 1.955,650 3.821,651 0.669,652 3.135,653 3.434,654 3.689,655 3.951,656 4.174,657 4.248,658 4.394,659 4.489,660 4.431,661 4.419,662 5.1,663 0.623,664 265.39,665 3.135,666 4.654,667 5.493,668 6.361,669 7.226,670 8.104,671 8.981,672 9.865,673 10.748,674 11.635,675 7.7,678 1,683 1,685 1,687 2,688 9,689 1,693 2,694 1,695 16,714 39,716 16,717 1,718 22,720 41,721 17,722 13,723 3,724 3,730 3,731 4,745 13,746 4,760 1,761 1,764 19,765 2,767 3,773 3,777 0.667,786 1,788 1,792 1,793 2,796 1,815 1,819 2,823 2,827 20,833 2,838 1,854 10,855 7.6,856 4.417,857 2.253,858 3.099,859 1.459,860 1,861 3.636,862 9.849,863 3.434,864 4.056,865 4.695,866 5.332,867 5.885,868 6.236,869 6.737,870 7.173,871 7.385,872 7.702,873 0.833,874 28,875 7.357,877 3,878 7.433,879 14.501,881 11.72,883 1.933,884 38.667,885 0.002,888 223.651,889 116.092,890 21.809,895 116.092,896 223.651,897 21.809,898 16.793,899 4.211,900 65.905,901 40.328,902 32.062,903 13.915,904 188.338,906 223.651,907 137.901,911 223.651,915 27.33,916 93.786,917 16.786,919 223.651,920 21.809,921 116.092,924 223.651,925 15.3,926 105.816,928 16.786,929 223.651,930 21.809,931 116.092,933 0.573,934 0.319,935 0.173,936 0.099,937 15,938 6,939 0.098,940 4,941 1,942 1.133,943 3.297,944 149.295,945 0.133,946 15,947 84.439,951 13.042,952 5.575,953 2.82,954 2.574,955 19.91,956 18.739,957 4.197,961 2.38,962 2.315,964 361.552,965 30,975 38.374,976 43.817,977 0.248,978 0.586,979 0.782,980 0.886,981 0.896,982 0.896,983 4.635,984 1,985 5.46,986 2.684,987 4.111,988 4.741,989 0.673,990 6.244,991 4.042,992 5.838,993 0.787,994 6.997,995 2.136,996 3.611,997 4.477,998 0.325,999 7.111,1000 3.501,1001 7.135,1002 0.365,1003 8.637,1004 1.826,1005 5.666,1006 6.996,1007 0.379,1008 10.208,1009 5.542,1010 8.475,1011 -0.427,1012 10.342,1013 0.85,1014 6.019,1015 7.648,1016 0.268,1017 11.954,1018 5.864,1019 9.853,1020 -0.796,1021 12.089,1022 -1.048,1023 7.526,1024 9.589,1025 0.239,1026 14.549,1027 7.355,1028 11.258,1029 -0.872,1030 13.866,1031 -1.926,1032 8.281,1033 10.685,1034 0.188,1035 16.64,1036 8.087,1037 12.686,1038 -1,1039 15.665,1040 -2,1041 9.558,1042 12.374,1043 0.156,1044 19.062,1045 9.345,1046 3.118,1047 -1,1048 17.479,1049 -2.347,1050 10.509,1051 13.684,1052 0.125,1053 21.292,1054 10.272,1055 2.743,1056 10.432,1057 19.305,1058 -2.615,1059 11.689,1060 15.263,1061 0.102,1062 23.653,1063 11.431,1064 2.244,1065 8.876,1066 21.14,1067 4.518,1068 12.732,1069 16.676,1070 0.082,1071 25.941,1072 12.449,1073 1.949,1074 6.077,1075 22.982,1076 3.709,1077 13.874,1078 18.208,1079 0.066,1080 28.282,1081 13.569,1082 1.795,1083 5.024,1084 24.829,1085 2.826,1086 14.96,1087 19.668,1088 0.054,1089 30.595,1090 14.629,1091 1.307,1092 4.617,1093 26.681,1094 2.625,1095 16.09,1096 21.182,1097 0.043,1098 32.931,1099 15.733,1100 1.133,1101 3.417,1102 28.536,1103 2.182,1104 17.197,1105 22.666,1106 0.035,1107 35.257,1108 16.813,1109 3692,1110 5476,1111 14.909,1112 26.108,1113 33.12,1114 32.726,1115 33.327,1116 32.924,1117 32.881,1118 44.797,1119 1.6,1120 91.88,1121 31.688,1122 5.4,1123 5.149,1124 6.368,1125 5.125,1126 5.118,1127 7.518,1128 1.2,1129 17.101,1130 5.036,1131 7.989,1132 1.505,1133 1.488,1134 1.515,1135 1.497,1136 1.495,1137 2.036,1138 0.073,1139 4.176,1140 1.44,1141 4.148,1142 4.182,1143 4.108,1144 4.067,1145 4.978,1146 4.073,1147 3.839,1148 3.883,1149 3.781,1150 3.734,1151 4.834,1152 3.74,1153 3.647,1154 3.731,1155 3.504,1156 3.443,1157 4.335,1158 3.446,1159 3.376,1160 3.442,1161 3.267,1162 3.227,1163 4.205,1164 3.228,1165 3.113,1166 3.189,1167 2.945,1168 2.959,1169 3.83,1170 2.945,1171 2.879,1172 3.009,1173 2.691,1174 2.744,1175 3.771,1176 2.722,1177 2.874,1178 2.952,1179 2.628,1180 2.633,1181 3.528,1182 2.619,1183 2.774,1184 2.855,1185 2.544,1186 2.618,1187 3.467,1188 2.57,1189 0.208,1190 0.143,1191 0.298,1192 0.186,1193 0.142,1194 4.568,1195 0.205,1196 3.149,1197 0.036,1198 6.566,1199 0.474,1200 4.089,1201 0.138,1202 3.118,1203 4.518,1204 0.8,1205 10.432,1206 3.036,1207 1.994,1208 1.972,1209 2.074,1210 2.076,1211 1.247,1212 2.077,1213 1.744,1214 1.704,1215 1.915,1216 1.931,1217 1.123,1218 1.932,1219 1.675,1220 1.607,1221 1.845,1222 1.833,1223 0.896,1224 1.84,1225 1.45,1226 1.371,1227 1.689,1228 1.69,1229 0.782,1230 1.696,1231 1.149,1232 1.085,1233 1.436,1234 1.325,1235 0.554,1236 1.368,1237 0.934,1238 0.851,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.92,1244 0.804,1245 1.155,1246 1.094,1247 0.308,1248 1.12,1249 0.82,1250 0.758,1251 1.106,1252 0.999,1253 0.167,1254 1.038,1255 3.807,1257 5.106,1258 2.398,1259 6.6,1260 4.727,1261 8.183,1262 6.823,1263 9.818,1265 4.208,1271 2.049,1276 2.205,1280 24.279,1281 51.178,1282 120.872,1283 161.111,1284 182.621,1285 184.621,1286 184.621,1287 20.069,1288 6.75,1289 21.06,1290 21.06,1291 17,1292 12.167,1293 4.087,1294 3.17,1295 29.922,1296 60,1297 59,1298 0.25,1299 151.551,1300 247.4,1301 361.545,1302 6769,1304 13.949,1305 0.697,1306 0.598,1307 13.949,1308 11.952,1309 9.737,1310 0.443,1311 0.313,1312 6.795,1313 9.442,1314 6.535,1315 5.496,1316 9.737,1317 6.879,1318 8.704,1319 0.29,1320 0.178,1321 8.704,1322 5.328,1323 7.034,1324 0.18,1325 0.091,1326 7.034,1327 3.557,1328 5.82,1329 0.114,1330 0.047,1331 5.82,1332 2.4,1333 4.792,1334 0.075,1335 0.026,1336 4.792,1337 1.674,1338 0.382,1339 60.279,1340 0.259,1341 19.849,1342 0.707,1343 104,1344 240.935,1345 109.218,1346 243.396,1347 342.7,1348 230,1349 121,1350 257.69,1351 127.356,1352 269.495,1353 388.23,1354 251,1355 8.854} {0 CHEMBL343648,1 1.337,2 15.697,3 4.235,4 17.934,5 136.892,6 6.607,7 0.568,8 4.285,9 4.43,10 3.767,11 3.819,12 5.245,13 3.773,14 4.858,15 5.062,16 4.091,17 4.249,18 5.708,19 4.167,20 5.147,21 5.4,22 4.071,23 4.408,24 5.882,25 4.267,26 5.25,27 5.528,28 3.987,29 4.414,30 5.949,31 4.238,32 5.253,33 5.561,34 3.907,35 4.341,36 5.895,37 4.154,38 5.124,39 5.413,40 3.886,41 4.276,42 5.784,43 4.107,44 5.098,45 5.382,46 3.876,47 4.248,48 5.797,49 4.08,50 5.076,51 5.375,52 3.727,53 4.178,54 5.745,55 3.995,56 0.104,57 1.036,58 15.848,59 6.054,60 13.848,61 8.927,62 0.265,63 1.692,64 28.97,65 10.277,66 22.544,67 15.473,68 0.271,69 2.04,70 38.951,71 14.406,72 28.162,73 21.641,74 0.3,75 2.145,76 43.508,77 15.894,78 34.776,79 24.054,80 0.379,81 2.057,82 44.162,83 15.774,84 35.89,85 23.987,86 0.294,87 1.867,88 38.457,89 14.035,90 27.324,91 21.214,92 0.304,93 1.838,94 37.476,95 13.583,96 29.892,97 20.547,98 0.34,99 1.755,100 37.057,101 12.654,102 30.371,103 19.486,104 2,105 50,106 0.211,107 0.544,108 0.744,109 0.826,110 0.846,111 0.846,112 3.531,113 0.991,114 -5.55,115 -5.42,116 -5.06,119 40.3,120 1,121 4,122 1,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 5,176 6,178 13,182 4,186 7,189 10,193 6,197 3,199 9,203 6,206 2,208 1,211 12,215 4,218 1,222 10,226 5,229 2,231 1,233 8,236 1,237 5,242 3,244 5,249 2,254 2,256 5,259 2027,260 22.999,261 22.999,262 22.999,263 22.999,264 22.999,265 20.585,266 27.153,267 13.84,268 23.402,269 18.297,270 18.297,271 18.297,272 18.297,273 18.297,274 14.737,275 30.737,276 6.603,277 18.943,278 4.729,279 2.613,280 1.34,281 0.821,282 0.698,283 0.698,284 4.243,289 1,290 1155,291 3.464,294 180.964,295 347.665,298 154.763,302 2.531,303 12.701,306 0.75,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.84,314 69,315 518,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.093,327 6.095,328 3.779,329 2.797,330 3.731,331 0.657,332 8.884,333 2.749,334 4.047,335 2.895,336 6.02,337 3.69,338 2.753,339 3.538,341 8.548,342 2.579,343 3.657,344 2.862,345 5.49,346 3.603,347 2.641,348 2.813,350 7.384,351 2.55,352 3.433,353 2.365,354 5.15,355 3.179,356 2.223,357 2.66,359 6.388,360 2.117,361 3.261,362 2.179,363 5.109,364 3,365 2.024,366 2.59,368 5.994,369 1.968,370 3.232,371 1.888,372 4.514,373 2.778,374 1.797,375 2.349,377 4.655,378 1.762,379 3.09,380 1.794,381 4.285,382 2.73,383 1.775,384 2.178,386 4.185,387 1.69,388 2.742,389 1.38,390 4.133,391 2.319,392 1.334,393 1.847,395 3.482,396 1.314,397 2.5,398 1.3,399 3.517,400 2.159,401 1.187,402 1.5,404 2.711,405 1.151,406 2.477,407 1.15,408 3.457,409 2.075,410 1.107,411 1.472,413 2.514,414 1.069,415 2.422,416 1.077,417 3.414,418 2,419 1,420 1.394,422 2.275,423 1,424 2.255,425 1,426 3.317,427 1.984,428 1,429 1.197,431 2.136,432 0.983,433 2.118,434 0.934,435 3.247,436 1.862,437 0.896,438 1,440 2.099,441 0.863,442 2,443 0.709,444 3.18,445 1.582,446 0.622,447 0.927,449 1.497,450 0.596,451 15.9,452 0.482,453 0.585,454 0.018,455 39.5,456 1.197,457 18,458 0.545,459 21.5,460 0.652,461 31.779,462 0.963,463 35.7,464 0.533,465 26.304,466 0.797,467 7.405,468 0.224,469 8.854,470 0.268,471 0.031,473 0.27,479 0.937,480 1.371,481 0.907,482 1.133,483 0.767,484 1.036,485 1.2,486 1.1,487 1.043,488 1.026,489 0.831,490 1.021,491 0.976,492 1.069,493 1.054,494 1.084,495 0.755,496 1.078,497 0.886,498 1.086,499 1.05,500 1.116,501 0.833,502 1.101,503 0.775,504 0.866,505 0.891,506 0.912,507 0.795,508 0.913,509 0.786,510 0.955,511 0.923,512 0.979,513 0.727,514 0.966,515 0.763,516 1.031,517 0.952,518 1.048,519 0.8,520 1.023,521 1.09,522 0.897,523 1.045,524 0.957,525 1.132,526 0.99,527 5,528 0.099,529 3.556,530 1.194,531 1.037,532 0.937,533 0.505,534 0.221,535 0.208,536 0.201,537 20117,538 41511,539 2.187,540 50.7,541 2,542 17,543 1,544 2,545 2,547 10,550 1.744,551 2.129,552 3.906,553 0.132,559 89.563,560 1.337,561 3.453,562 4.726,563 5.245,564 5.368,565 5.368,566 3.377,567 4.56,568 5.017,569 4.124,570 2177.54,571 8.736,572 35808.5,577 406.428,578 1.027,579 5.01,580 0.135,581 0.004,582 0.071,583 0.025,584 0.025,585 0.025,586 0.013,587 0.006,588 0.007,589 0.007,590 0.319,591 0.17,592 0.75,593 0.306,594 181.372,595 0.12,596 -0.125,597 0.08,598 -0.035,599 0.194,600 0.009,601 -0.032,602 0.055,603 -0.045,604 0.002,605 0.07,606 -0.018,607 -0.09,608 -0.05,609 -0.081,610 -0.062,611 0.033,612 -0.069,613 -0.043,614 -0.127,615 -0.079,616 -0.114,617 0.001,618 -0.102,619 0.09,620 0.04,621 0.085,622 0.061,623 0.075,624 0.071,625 0.052,626 -0.017,627 0.05,628 0.015,629 0.072,630 0.029,631 0.11,632 -0.081,633 0.022,634 -0.055,635 0.058,636 -0.03,637 -0.077,638 0.049,639 -0.057,640 0.003,641 -0.166,642 -0.02,643 0.911,644 1.245,645 0.788,646 42.489,647 0.985,648 1.131,649 4.317,650 18.633,651 0.652,652 3.638,653 3.932,654 4.205,655 4.431,656 4.595,657 4.654,658 4.779,659 4.89,660 4.956,661 5.011,662 9.228,663 0.605,664 442.67,665 3.638,666 5.165,667 6.009,668 6.866,669 7.723,670 8.585,671 9.447,672 10.313,673 11.179,674 12.048,675 9,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 67,716 21,717 2,718 37,720 71,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 2,741 1,743 5,745 16,746 11,747 1,764 34,765 4,766 2,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,814 1,815 1,819 4,823 1,827 33,833 8,834 1,837 2,838 1,844 1,854 15.5,855 11.883,856 7.278,857 4.316,858 3.505,859 1.427,860 1.003,861 7.084,862 11.718,863 3.882,864 4.443,865 5.029,866 5.598,867 6.025,868 6.345,869 6.787,870 7.19,871 7.384,872 7.608,873 1,874 47,875 12.207,877 5.111,878 7.379,879 24.456,881 20.669,883 1.879,884 62,888 376.675,889 143.326,890 73.146,895 143.326,896 376.675,897 73.146,898 8.825,899 18.561,900 102.868,901 74.105,902 33.51,903 13.915,904 341.362,906 376.675,907 216.471,911 258.964,912 117.711,915 84.443,916 98.702,917 33.326,919 376.675,920 73.146,921 143.326,924 376.675,925 32.406,926 115.943,927 34.796,928 33.326,929 376.675,930 73.146,931 143.326,933 0.573,934 0.336,935 0.178,936 0.09,937 24,938 9,939 0.127,940 9,941 1,942 1.077,943 4.754,944 291.386,945 0.077,946 26,947 154.465,951 22.183,952 10.539,953 5.482,954 2.499,955 54.461,956 22.901,957 7.85,958 3.429,961 3.876,962 1.954,963 34.796,964 593.147,965 47.5,975 65.981,976 75.803,977 0.22,978 0.569,979 0.779,980 0.865,981 0.885,982 0.885,983 5.101,984 1.775,985 5.958,986 4.655,987 4.615,988 5.13,989 1.038,990 6.72,991 4.55,992 6.265,993 1.334,994 7.482,995 4.185,996 4.007,997 4.732,998 0.325,999 7.516,1000 3.911,1001 7.541,1002 1.187,1003 9.105,1004 3.482,1005 6.159,1006 7.282,1007 0.607,1008 10.6,1009 6.033,1010 8.856,1011 1.107,1012 10.792,1013 2.711,1014 6.447,1015 7.858,1016 0.268,1017 12.277,1018 6.291,1019 10.209,1020 1,1021 12.519,1022 2.514,1023 7.982,1024 9.787,1025 0.359,1026 14.838,1027 7.803,1028 11.59,1029 1,1030 14.275,1031 2.275,1032 8.684,1033 10.833,1034 0.188,1035 16.872,1036 8.48,1037 12.993,1038 0.896,1039 16.052,1040 2.136,1041 9.963,1042 12.506,1043 0.214,1044 19.264,1045 9.739,1046 3.118,1047 0.622,1048 17.843,1049 2.099,1050 10.868,1051 13.785,1052 0.125,1053 21.454,1054 10.623,1055 2.797,1056 10.431,1057 19.646,1058 1.497,1059 12.039,1060 15.35,1061 0.129,1062 23.79,1063 11.776,1064 2.753,1065 8.884,1066 21.459,1067 4.518,1068 13.044,1069 16.743,1070 0.082,1071 26.052,1072 12.763,1073 2.641,1074 8.548,1075 23.279,1076 3.731,1077 14.17,1078 18.265,1079 0.079,1080 28.375,1081 13.873,1082 2.223,1083 7.384,1084 25.105,1085 3.538,1086 15.225,1087 19.713,1088 0.054,1089 30.671,1090 14.913,1091 2.024,1092 6.388,1093 26.936,1094 2.813,1095 16.336,1096 21.22,1097 0.048,1098 32.993,1099 16.009,1100 1.797,1101 5.994,1102 28.773,1103 2.66,1104 17.418,1105 22.696,1106 0.035,1107 35.307,1108 17.076,1109 18375,1110 26644,1111 25.83,1112 43.694,1113 55.319,1114 54.682,1115 55.055,1116 54.705,1117 54.744,1118 70.125,1119 2.915,1120 151.327,1121 52.938,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 7.921,1132 1.495,1133 1.478,1134 1.488,1135 1.479,1136 1.48,1137 1.895,1138 0.079,1139 4.09,1140 1.431,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 5.135,1146 4.07,1147 3.953,1148 4.001,1149 3.867,1150 3.873,1151 4.927,1152 3.867,1153 3.865,1154 3.922,1155 3.79,1156 3.736,1157 4.763,1158 3.73,1159 3.824,1160 3.896,1161 3.745,1162 3.588,1163 4.383,1164 3.625,1165 3.573,1166 3.646,1167 3.429,1168 3.41,1169 4.261,1170 3.409,1171 3.453,1172 3.528,1173 3.305,1174 3.292,1175 4.198,1176 3.285,1177 3.29,1178 3.358,1179 3.171,1180 3.132,1181 3.941,1182 3.134,1183 3.14,1184 3.235,1185 2.961,1186 2.941,1187 3.76,1188 2.925,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.196,1197 0.022,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.095,1210 2.069,1211 1.468,1212 2.081,1213 1.931,1214 1.897,1215 2.049,1216 2.047,1217 1.287,1218 2.047,1219 1.859,1220 1.802,1221 2.028,1222 1.997,1223 1.196,1224 2.012,1225 1.673,1226 1.618,1227 1.884,1228 1.839,1229 1.122,1230 1.858,1231 1.48,1232 1.406,1233 1.739,1234 1.705,1235 0.881,1236 1.715,1237 1.405,1238 1.334,1239 1.602,1240 1.653,1241 0.825,1242 1.641,1243 1.331,1244 1.266,1245 1.513,1246 1.53,1247 0.789,1248 1.542,1249 1.153,1250 1.064,1251 1.509,1252 1.442,1253 0.652,1254 1.429,1255 4.317,1257 5.617,1258 3.045,1259 7.102,1260 5.283,1261 8.67,1262 7.286,1263 10.282,1265 2.268,1271 9.62,1272 3.745,1275 1.211,1276 2.647,1280 40.504,1281 89.563,1282 231.381,1283 316.654,1284 351.408,1285 359.673,1286 359.673,1287 42.417,1288 8.213,1289 61.77,1290 61.77,1291 28,1292 12.593,1293 4.459,1294 3.524,1295 48.359,1296 187,1297 169,1298 0.123,1299 247.216,1300 412.5,1301 594.967,1302 53892,1304 22.46,1305 0.681,1306 0.589,1307 22.46,1308 19.451,1309 16.259,1310 0.439,1311 0.33,1312 12.091,1313 15.775,1314 11.813,1315 9.804,1316 16.259,1317 12.218,1318 14.149,1319 0.283,1320 0.187,1321 14.149,1322 9.342,1323 12.307,1324 0.186,1325 0.108,1326 12.307,1327 7.108,1328 10.011,1329 0.121,1330 0.06,1331 10.011,1332 4.978,1333 7.676,1334 0.078,1335 0.036,1336 7.676,1337 3.55,1338 0.204,1339 100.65,1340 0.197,1341 31.828,1342 0.309,1343 174,1344 381.246,1345 184.824,1346 381.7,1347 541.59,1348 362,1349 203,1350 415.772,1351 215.295,1352 425.043,1353 615.02,1354 401,1355 8.854} {0 CHEMBL343667,1 1.556,2 17.297,3 3.919,4 15.361,5 151.523,6 7.134,7 0.512,8 4.376,9 4.504,10 4.026,11 3.929,12 5.338,13 3.87,14 4.964,15 5.158,16 4.298,17 4.35,18 6.005,19 4.272,20 5.232,21 5.452,22 4.273,23 4.518,24 6.13,25 4.385,26 5.375,27 5.646,28 4.187,29 4.527,30 6.186,31 4.362,32 5.337,33 5.624,34 4.069,35 4.452,36 6.077,37 4.274,38 5.252,39 5.543,40 4.037,41 4.383,42 5.928,43 4.205,44 5.197,45 5.478,46 4.065,47 4.328,48 5.982,49 4.167,50 5.127,51 5.391,52 3.969,53 4.303,54 5.911,55 4.132,56 0.114,57 1.144,58 19.43,59 7.249,60 18.272,61 9.58,62 0.411,63 1.858,64 34.827,65 11.967,66 56.985,67 16.483,68 0.337,69 2.22,70 44.533,71 16.536,72 54.377,73 22.908,74 0.413,75 2.384,76 52.543,77 18.534,78 62.878,79 26.695,80 0.465,81 2.254,82 49.695,83 17.574,84 55.173,85 25.793,86 0.347,87 2.104,88 47.397,89 16.556,90 38.429,91 24.35,92 0.532,93 2.007,94 43.971,95 14.858,96 53.287,97 21.779,98 0.365,99 1.925,100 43.688,101 14.625,102 41.389,103 20.576,104 18,105 58,106 0.24,107 0.55,108 0.761,109 0.826,110 0.837,111 0.837,112 3.641,113 1.09,114 -5.17,115 -5.06,116 -4.74,119 38.4,121 4,122 1,124 2,125 5,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 11,171 3,172 7,176 3,178 10,182 12,186 3,189 7,193 12,197 1,199 6,202 1,203 8,206 1,211 9,215 4,218 1,222 10,225 2,226 5,229 2,233 7,236 1,237 6,242 2,244 3,249 5,254 1,256 4,259 2840,260 24.866,261 24.866,262 24.866,263 24.866,264 24.866,265 22.154,266 29.858,267 14.585,268 25.549,269 20.276,270 20.276,271 20.276,272 20.276,273 20.276,274 16.153,275 31.386,276 6.964,277 21.414,278 4.633,279 2.626,280 1.252,281 0.836,282 0.76,283 0.76,284 4.346,289 1,290 1407,291 4.301,294 213.298,295 403.769,298 183.864,302 2.868,303 27.577,306 0.75,307 0.67,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.73,314 79,315 640,316 4.801,317 5.18,318 7.111,319 4.179,320 3.313,321 4.66,322 2.95,323 11.657,324 3.062,325 4.568,326 3.196,327 6.566,328 4.099,329 3.118,330 4.518,331 0.916,332 10.431,333 2.847,334 4.129,335 2.995,336 6.095,337 3.694,338 2.754,339 3.731,340 0.8,341 8.884,342 2.62,343 3.923,344 2.889,345 5.605,346 3.682,347 2.725,348 3.439,349 0.172,350 7.739,351 2.577,352 3.681,353 2.849,354 5.429,355 3.519,356 2.555,357 2.813,359 7.229,360 2.462,361 3.439,362 2.649,363 5.192,364 3.229,365 2.279,366 2.695,368 6.55,369 2.151,370 3.353,371 2.393,372 5.123,373 3.013,374 2.036,375 2.592,377 5.999,378 1.982,379 3.247,380 2.186,381 4.703,382 2.836,383 1.886,384 2.436,386 5.157,387 1.782,388 3.114,389 2.006,390 4.514,391 2.729,392 1.775,393 2.239,395 4.655,396 1.689,397 2.827,398 1.794,399 4.484,400 2.499,401 1.531,402 1.867,404 4.436,405 1.472,406 2.738,407 1.366,408 4.133,409 2.309,410 1.324,411 1.825,413 3.48,414 1.303,415 2.5,416 1.158,417 3.471,418 2.086,419 1.121,420 1.5,422 2.53,423 1.079,424 2.425,425 1.077,426 3.414,427 2,428 1,429 1.399,431 2.275,432 1,433 2.253,434 1,435 3.414,436 1.984,437 1,438 1.194,440 2.275,441 0.983,442 2.118,443 0.979,444 3.317,445 1.86,446 0.895,447 1,449 2.097,450 0.862,451 17.9,452 0.484,453 0.997,454 0.027,455 45.25,456 1.223,457 21,458 0.568,459 24.25,460 0.655,461 36.601,462 0.989,463 40.9,464 0.56,465 33.743,466 0.912,467 8.404,468 0.227,469 9.443,470 0.255,471 0.093,472 0.047,473 0.263,479 0.603,480 1.449,481 0.877,482 1.249,483 0.616,484 1.057,485 0.946,486 1.015,487 1.037,488 0.985,489 0.531,490 0.936,491 0.998,492 1.132,493 1.05,494 1.119,495 0.936,496 1.156,497 0.794,498 1.018,499 0.898,500 0.992,501 0.672,502 1.034,503 0.695,504 0.909,505 0.793,506 0.885,507 0.622,508 0.989,509 0.466,510 0.991,511 0.799,512 0.965,513 0.306,514 0.97,515 0.725,516 0.909,517 0.797,518 0.842,519 0.665,520 0.934,521 0.819,522 1.034,523 1.174,524 1.149,525 0.57,526 1.113,527 8.5,528 0.19,529 4.222,530 2.007,531 1.468,532 1.174,533 0.728,534 0.374,535 0.282,536 0.301,537 27305,538 69045,539 2.11,540 49.3,541 2,542 23,543 1,544 2,545 1,547 7,550 1.772,551 1.991,552 4.021,553 -0.365,559 113.624,560 1.556,561 3.563,562 4.937,563 5.354,564 5.429,565 5.429,566 3.507,567 4.608,568 5.182,569 4.288,570 2856.01,571 9.063,572 52100.7,577 451.857,578 1.444,579 5.144,580 0.207,581 0.006,582 0.073,583 0.037,584 0.03,585 0.027,586 0.017,587 0.009,588 0.007,589 0.009,590 0.423,591 0.17,592 0.75,593 0.629,594 211.647,595 0.147,596 -0.178,597 0.193,598 -0.064,599 -0.069,600 0.001,601 0.047,602 0.146,603 -0.026,604 0.057,605 0.254,606 0.058,607 -0.119,608 -0.102,609 -0.139,610 -0.114,611 -0.025,612 -0.143,613 -0.029,614 -0.079,615 -0.021,616 -0.05,617 0.036,618 -0.036,619 0.02,620 0.003,621 0.027,622 0.009,623 -0.01,625 0.094,626 -0.072,627 0.083,628 -0.017,629 0.062,630 0.04,631 0.099,632 0.035,633 0.074,634 0.063,635 0.01,636 0.042,637 -0.059,638 -0.028,639 -0.151,640 -0.128,641 0.001,642 -0.113,643 4.057,644 4.665,645 0.703,646 51.359,647 0.994,648 1.131,649 3.941,650 15.531,651 0.658,652 3.738,653 4.078,654 4.304,655 4.533,656 4.691,657 4.796,658 4.92,659 5.004,660 5.011,661 5.112,662 10.297,663 0.612,664 520.77,665 3.738,666 5.293,667 6.133,668 7.009,669 7.863,670 8.74,671 9.599,672 10.476,673 11.339,674 12.218,675 8.2,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 73,716 23,717 2,718 41,720 77,721 28,722 16,723 5,724 7,730 5,731 6,740 2,741 1,743 4,745 16,746 12,747 1,750 2,753 1,755 2,764 36,765 6,766 1,767 9,768 1,773 6,777 0.8,778 2,788 1,792 2,793 3,796 1,815 2,819 4,821 1,823 2,827 37,829 1,833 9,837 1,838 2,844 1,847 2.7,850 2,854 18.583,855 13.417,856 7.917,857 4.425,858 3.766,859 1.443,860 1,861 7.989,862 12.273,863 3.998,864 4.615,865 5.137,866 5.699,867 6.136,868 6.511,869 6.914,870 7.256,871 7.412,872 7.647,873 1,874 54,875 13.854,877 6.026,878 7.615,879 27.056,881 23.041,883 2.115,884 78.25,888 411.989,889 150.313,890 58.259,892 44.313,894 6.046,895 144.267,896 456.302,897 58.259,898 15.587,899 20.667,900 81.427,901 118.418,902 38.185,903 13.915,904 376.675,906 411.989,907 202.527,908 44.313,909 6.046,911 329.591,912 126.711,915 62.837,916 106.364,917 39.372,919 411.989,920 102.572,921 150.313,923 6.046,924 411.989,925 36.062,926 116.353,927 16.786,928 77.639,929 411.989,930 102.572,931 150.313,933 0.589,934 0.33,935 0.17,936 0.085,937 28,938 12,939 0.13,940 10,941 1,942 1.077,943 4.993,944 339.406,945 0.077,946 26,947 176.75,950 1,951 25.965,952 11.384,953 6.617,954 2.446,955 83.888,956 19.317,957 7.837,958 3.414,961 3.98,962 1.937,963 16.786,964 664.874,965 53.5,968 -3.141,970 23.331,975 72.596,976 82.557,977 0.251,978 0.576,979 0.798,980 0.865,981 0.877,982 0.877,983 5.248,984 1.886,985 6.138,986 5.999,987 4.762,988 5.303,989 3.038,990 6.948,991 4.658,992 6.466,993 1.775,994 7.701,995 5.157,996 4.443,997 5.293,998 0.57,999 8.003,1000 4.211,1001 7.796,1002 1.531,1003 9.372,1004 4.655,1005 6.399,1006 7.583,1007 5.036,1008 11.003,1009 6.167,1010 9.168,1011 1.324,1012 11.11,1013 4.436,1014 6.899,1015 8.45,1016 0.581,1017 12.896,1018 6.521,1019 10.579,1020 1.121,1021 12.893,1022 3.48,1023 8.342,1024 10.241,1025 7.185,1026 15.471,1027 7.955,1028 12.018,1029 1,1030 14.709,1031 2.53,1032 9.203,1033 11.483,1034 0.515,1035 17.69,1036 8.677,1037 13.479,1038 1,1039 16.549,1040 2.275,1041 10.459,1042 13.1,1043 9.348,1044 20.148,1045 9.9,1046 3.313,1047 0.895,1048 18.409,1049 2.275,1050 11.484,1051 14.502,1052 0.441,1053 22.493,1054 10.802,1055 3.118,1056 11.657,1057 20.284,1058 2.097,1059 12.673,1060 16.057,1061 11.511,1062 24.923,1063 11.936,1064 2.754,1065 10.431,1066 22.171,1067 4.66,1068 13.774,1069 17.527,1070 0.373,1071 27.32,1072 12.929,1073 2.725,1074 8.884,1075 24.069,1076 4.518,1077 14.942,1078 19.06,1079 13.675,1080 29.748,1081 14.029,1082 2.555,1083 7.739,1084 25.975,1085 3.731,1086 16.08,1087 20.56,1088 0.314,1089 32.166,1090 15.068,1091 2.279,1092 7.229,1093 27.889,1094 3.439,1095 17.245,1096 22.086,1097 15.838,1098 34.598,1099 16.157,1100 2.036,1101 6.55,1102 29.808,1103 2.813,1104 18.401,1105 23.6,1106 0.264,1107 37.028,1108 17.221,1109 25314,1110 40492,1111 27.622,1112 48.012,1113 61.869,1114 63.17,1115 61.678,1116 61.618,1117 61.48,1118 79.753,1119 9.678,1120 177.511,1121 58.409,1122 5.801,1123 7.18,1124 6.708,1125 5.239,1126 5.313,1127 7.66,1128 5.9,1129 18.535,1130 5.062,1131 17.576,1132 1.509,1133 1.541,1134 1.504,1135 1.503,1136 1.5,1137 1.945,1138 0.236,1139 4.33,1140 1.425,1141 4.158,1142 4.195,1143 4.735,1144 4.102,1145 7.716,1146 4.073,1147 4.077,1148 4.062,1149 4.113,1150 4.054,1151 6.999,1152 3.992,1153 3.899,1154 3.955,1155 3.81,1156 3.76,1157 5.135,1158 3.749,1159 3.827,1160 3.902,1161 3.789,1162 3.639,1163 4.927,1164 3.627,1165 3.717,1166 3.74,1167 3.713,1168 3.587,1169 4.696,1170 3.575,1171 3.561,1172 3.616,1173 3.433,1174 3.407,1175 4.37,1176 3.403,1177 3.423,1178 3.495,1179 3.293,1180 3.231,1181 4.258,1182 3.231,1183 3.274,1184 3.344,1185 3.151,1186 3.105,1187 4.162,1188 3.105,1189 0.117,1190 0.126,1191 0.173,1192 0.102,1193 0.081,1194 4.801,1195 0.114,1196 5.18,1197 0.072,1198 7.111,1199 0.284,1200 4.179,1201 0.075,1202 3.313,1203 4.66,1204 2.95,1205 11.657,1206 3.062,1207 1.989,1208 1.997,1209 2.092,1210 2.074,1211 1.473,1212 2.099,1213 1.961,1214 1.936,1215 2.04,1216 2.051,1217 1.29,1218 2.063,1219 1.87,1220 1.813,1221 2.013,1222 2.021,1223 1.249,1224 2.039,1225 1.681,1226 1.636,1227 1.885,1228 1.853,1229 1.127,1230 1.875,1231 1.608,1232 1.597,1233 1.73,1234 1.771,1235 1.007,1236 1.805,1237 1.437,1238 1.368,1239 1.593,1240 1.668,1241 0.837,1242 1.673,1243 1.391,1244 1.322,1245 1.576,1246 1.618,1247 0.825,1248 1.629,1249 1.299,1250 1.226,1251 1.513,1252 1.507,1253 0.723,1254 1.52,1255 4.419,1257 5.753,1258 3.045,1259 7.259,1260 5.283,1261 8.843,1262 7.286,1263 10.468,1265 3.409,1271 10.039,1275 0.709,1276 4.971,1280 44.647,1281 113.624,1282 260.135,1283 360.431,1284 390.838,1285 396.347,1286 396.347,1287 65.557,1288 8.507,1289 87.12,1290 95.5,1291 28,1292 12.758,1293 4.585,1294 3.755,1295 57.425,1296 234,1297 194,1298 0.116,1299 275.932,1300 465.89,1301 665.033,1302 79035,1304 25.83,1305 0.698,1306 0.608,1307 26.08,1308 22.492,1309 17.847,1310 0.435,1311 0.363,1312 12.997,1313 16.441,1314 12.455,1315 10.343,1316 18.742,1317 14.89,1318 16.857,1319 0.291,1320 0.214,1321 18.244,1322 12.43,1323 13.365,1324 0.183,1325 0.118,1326 14.122,1327 8.598,1328 11.019,1329 0.12,1330 0.066,1331 11.535,1332 6.043,1333 8.238,1334 0.076,1335 0.039,1336 8.606,1337 4.191,1338 0.194,1339 120.367,1340 0.19,1341 35.022,1342 0.289,1343 198,1344 508.89,1345 245.811,1346 519.729,1347 709.44,1348 482,1349 230,1350 501.849,1351 284.793,1352 546.055,1353 781.58,1354 507,1355 8.092} {0 CHEMBL343712,1 1.354,2 8.5,3 3.52,4 12.387,5 90.67,6 6.821,7 0.455,8 3.803,9 3.935,10 3.374,11 3.415,12 4.704,13 3.322,14 4.375,15 4.582,16 3.668,17 3.826,18 5.172,19 3.7,20 4.556,21 4.773,22 3.604,23 3.944,24 5.325,25 3.782,26 4.676,27 4.949,28 3.487,29 3.901,30 5.36,31 3.71,32 4.601,33 4.894,34 3.476,35 3.795,36 5.267,37 3.609,38 4.431,39 4.676,40 3.445,41 3.754,42 5.164,43 3.571,44 4.404,45 4.654,46 3.257,47 3.665,48 5.108,49 3.451,50 4.322,51 4.618,52 3.048,53 3.491,54 4.918,55 3.214,56 0.05,57 0.606,58 10.581,59 4.33,60 6.992,61 5.944,62 0.155,63 1.043,64 22.041,65 7.607,66 12.444,67 10.076,68 0.158,69 1.179,70 23.897,71 9.47,72 15.434,73 12.883,74 0.126,75 1.231,76 24.887,77 10.248,78 17.71,79 14.484,80 0.161,81 1.155,82 24.342,83 9.068,84 17.101,85 12.768,86 0.123,87 1.017,88 21.687,89 8.317,90 14.34,91 11.214,92 0.127,93 0.975,94 20.701,95 7.82,96 14.156,97 10.881,98 0.091,99 0.842,100 19.31,101 7.785,102 11.897,103 10.388,104 8,105 30,106 0.24,107 0.569,108 0.789,109 0.839,110 0.839,111 0.839,112 3.058,113 1.146,114 -4.18,115 -4.13,116 -3.9,119 40.5,121 1,124 2,125 4,134 1,135 1,140 4,141 2,149 1,150 1,169 8,172 3,178 12,181 1,182 2,189 10,193 2,199 5,203 5,211 5,215 2,222 3,226 3,233 1,237 2,244 1,259 488,260 13.637,261 13.637,262 13.637,263 13.637,264 13.637,265 12.287,266 11.919,267 8.216,268 14.1,269 10.886,270 10.886,271 10.886,272 10.886,273 10.886,274 8.769,275 9.956,276 3.936,277 11.564,278 4.038,279 2.179,280 0.941,281 0.655,282 0.655,283 0.655,284 3.74,287 1,288 1,289 1,290 363,291 2.739,294 42.246,295 105.869,298 74.793,302 1.35,303 5.569,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41,315 170,316 4.568,317 4.241,318 6.566,319 4.089,320 3.118,321 4.515,322 3.272,323 10.432,324 3.036,325 4.1,326 3.158,327 6.092,328 3.725,329 2.743,330 3.549,331 0.8,332 8.876,333 2.692,334 3.432,335 2.835,336 5.144,337 3.17,338 2.244,339 2.74,341 6.077,342 2.078,343 3.165,344 2.567,345 4.625,346 2.883,347 1.949,348 2.337,350 5.024,351 1.814,352 3.13,353 2.503,354 4.497,355 2.728,356 1.795,357 2.182,359 4.617,360 1.674,361 2.705,362 2.059,363 4.106,364 2.252,365 1.307,366 1.787,368 3.417,369 1.231,370 2.413,371 1.664,372 3.511,373 2.033,374 1.133,375 1.368,377 2.684,378 0.987,379 2.181,380 1.269,381 3.269,382 1.955,383 1,384 1.066,386 2.136,387 0.942,388 2.038,389 0.871,390 3.247,391 1.754,392 0.787,393 1.002,395 1.826,396 0.755,397 1.573,398 0.587,399 2.879,400 1.332,401 0.365,402 0.434,404 0.85,405 0.352,406 0.877,407 0.445,408 2.534,409 0.536,410 -0.427,411 -0.498,413 -1.048,414 -0.408,415 0.625,416 -0.158,417 2.161,418 0.161,419 -0.796,420 -0.893,422 -1.926,423 -0.749,424 0.31,425 -0.5,426 2,427 0.096,428 -0.872,429 -1,431 -2,432 -0.813,433 0.249,434 -0.6,435 1.858,436 -0.1,437 -1,438 -1.112,440 -2.347,441 -0.85,442 0.101,443 -0.806,444 1.555,445 -0.137,446 -1,447 -1.24,449 -2.615,450 -0.9,451 10.133,452 0.507,453 0.435,454 0.022,455 22,456 1.1,457 9.5,458 0.475,459 12.5,460 0.625,461 17.772,462 0.889,463 21.667,464 0.516,465 12.807,466 0.64,467 3.832,468 0.192,469 5.905,470 0.295,471 0.099,473 0.276,479 0.989,480 1.336,481 0.838,482 1.014,483 0.994,484 1.027,485 1.87,486 0.929,487 1.246,488 0.973,489 0.972,490 0.877,491 1.047,492 1.046,493 1.102,494 1.103,495 1.096,496 1.14,497 0.643,498 1.049,499 0.695,500 0.897,501 1.011,502 1.013,503 1.138,504 0.811,505 0.682,506 0.694,507 0.942,508 0.795,509 1.098,510 1.039,511 1.021,512 1.018,513 1.057,514 1.037,515 1.043,516 1.191,517 1.05,518 1.157,519 1.365,520 1.239,521 0.586,522 0.995,523 0.848,524 0.966,525 0.904,526 1.052,527 3.5,528 0.037,529 2.222,530 0.917,531 0.644,532 0.649,533 0.424,534 0.135,535 0.133,536 0.066,537 3755,538 7580,539 2.107,540 52.4,542 19,543 1,547 2,550 1.619,551 2,552 3.098,553 -0.836,555 1,557 1,559 56.883,560 1.354,561 3.214,562 4.452,563 4.737,564 4.737,565 4.737,566 2.528,567 3.922,568 4.289,569 3.215,570 610.849,571 7.335,572 6190.9,573 1,574 1,576 1,577 226.477,578 1.295,579 4.266,580 0.159,581 0.007,582 0.074,583 0.033,584 0.027,585 0.028,586 0.019,587 0.008,588 0.012,589 0.009,590 0.378,591 0.83,592 1,593 1.197,594 88.265,595 0.135,596 -0.189,597 0.098,598 -0.013,599 0.053,601 -0.273,602 0.224,603 -0.082,604 0.088,605 0.034,606 0.107,607 -0.073,608 -0.013,609 -0.185,610 -0.138,611 -0.109,612 -0.147,613 0.082,614 -0.139,615 0.025,616 -0.052,617 -0.027,618 -0.05,619 -0.015,620 0.138,621 0.128,622 0.161,623 0.065,624 0.142,625 -0.087,626 -0.033,627 -0.057,628 -0.042,629 -0.048,630 -0.055,631 -0.101,632 -0.212,633 -0.16,634 -0.224,635 -0.334,636 -0.268,637 0.064,638 -0.104,639 0.063,640 -0.013,641 0.006,642 -0.075,643 0.45,644 0.391,645 0.75,646 15.24,647 0.979,648 1.121,649 2.953,650 8.719,651 0.673,652 3.135,653 3.434,654 3.689,655 3.951,656 4.174,657 4.248,658 4.394,659 4.489,660 4.431,661 4.419,662 5.1,663 0.607,664 286.48,665 3.135,666 4.654,667 5.493,668 6.361,669 7.226,670 8.104,671 8.981,672 9.865,673 10.748,674 11.635,675 4.8,678 1,683 1,687 2,688 5,693 1,694 1,695 10,714 42,716 11,717 1,718 22,720 44,721 17,722 8,723 3,724 3,725 2,730 3,731 4,740 1,743 1,745 10,746 7,750 1,757 1,759 1,760 1,761 1,764 22,765 1,767 3,768 1,773 2,777 0.667,788 1,792 1,793 2,796 1,810 1,811 1,815 1,819 2,820 1,821 1,823 2,827 20,833 5,836 1,838 1,854 10,855 8.067,856 4.417,857 2.522,858 2.342,859 1.347,860 0.993,861 4.298,862 9.092,863 3.367,864 3.956,865 4.571,866 5.183,867 5.704,868 6.099,869 6.542,870 6.903,871 6.923,872 7.065,873 0.833,874 28,875 7.416,877 3.036,878 7.3,879 14.99,881 12.438,883 1.8,884 36,885 0.003,887 1,888 258.964,889 125.075,890 5.023,894 32.22,895 92.855,896 258.964,897 5.023,898 16.793,899 8.545,900 56.429,902 13.968,903 13.915,904 279.413,906 258.964,907 97.878,909 32.22,911 235.422,912 23.542,915 13.569,916 74.833,917 9.476,918 32.22,919 258.964,920 5.023,921 125.075,924 258.964,925 51.853,926 78.245,929 258.964,930 5.023,931 125.075,933 0.573,934 0.319,935 0.173,936 0.099,937 15,938 6,939 0.091,940 4,941 1,942 1.133,943 3.297,944 149.295,945 0.133,946 15,947 84.439,948 1,951 13.934,952 6.169,953 3.192,954 2.71,955 3.124,956 11.343,961 1.405,962 2.372,964 389.062,965 28,972 2.391,974 1.519,975 41.116,976 47.069,977 0.251,978 0.596,979 0.826,980 0.879,981 0.879,982 0.879,983 4.59,984 1,985 5.46,986 2.684,987 4.111,988 4.64,989 3.152,990 6.244,991 4.016,992 5.78,993 0.787,994 6.997,995 2.136,996 3.611,997 4.46,998 0.325,999 7.111,1000 3.501,1001 7.081,1002 0.365,1003 8.637,1004 1.826,1005 5.666,1006 6.875,1007 5.442,1008 10.208,1009 5.516,1010 8.426,1011 -0.427,1012 10.342,1013 0.85,1014 6.019,1015 7.616,1016 0.268,1017 11.954,1018 5.867,1019 9.809,1020 -0.796,1021 12.089,1022 -1.048,1023 7.526,1024 9.482,1025 7.807,1026 14.549,1027 7.337,1028 11.22,1029 -0.872,1030 13.866,1031 -1.926,1032 8.281,1033 10.642,1034 0.188,1035 16.64,1036 8.089,1037 12.653,1038 -1,1039 15.665,1040 -2,1041 9.558,1042 12.289,1043 10.177,1044 19.062,1045 9.333,1046 3.118,1047 -1,1048 17.479,1049 -2.347,1050 10.509,1051 13.64,1052 0.125,1053 21.292,1054 10.272,1055 2.743,1056 10.432,1057 19.305,1058 -2.615,1059 11.689,1060 15.198,1061 12.548,1062 23.653,1063 11.424,1064 2.244,1065 8.876,1066 21.14,1067 4.515,1068 12.732,1069 16.634,1070 0.082,1071 25.941,1072 12.448,1073 1.949,1074 6.077,1075 22.982,1076 3.549,1077 13.874,1078 18.158,1079 14.919,1080 28.282,1081 13.564,1082 1.795,1083 5.024,1084 24.829,1085 2.74,1086 14.96,1087 19.632,1088 0.054,1089 30.595,1090 14.627,1091 1.307,1092 4.617,1093 26.681,1094 2.337,1095 16.09,1096 21.143,1097 17.29,1098 32.931,1099 15.73,1100 1.133,1101 3.417,1102 28.536,1103 2.182,1104 17.197,1105 22.634,1106 0.035,1107 35.257,1108 16.812,1109 3692,1110 5314,1111 14.909,1112 28.273,1113 33.155,1114 35.537,1115 33.327,1116 32.931,1117 32.881,1118 41.959,1119 8.145,1120 91.88,1121 31.121,1122 5.488,1123 6.241,1124 6.368,1125 5.207,1126 5.118,1127 7.515,1128 6.545,1129 17.101,1130 5.036,1131 7.989,1132 1.507,1133 1.615,1134 1.515,1135 1.497,1136 1.495,1137 1.907,1138 0.37,1139 4.176,1140 1.415,1141 4.146,1142 4.18,1143 4.116,1144 4.067,1145 4.932,1146 4.07,1147 3.787,1148 3.826,1149 3.932,1150 3.742,1151 4.444,1152 3.7,1153 3.642,1154 3.724,1155 3.525,1156 3.446,1157 4.314,1158 3.443,1159 3.364,1160 3.428,1161 3.36,1162 3.244,1163 4.101,1164 3.218,1165 3.111,1166 3.187,1167 3.031,1168 2.971,1169 3.759,1170 2.945,1171 3.032,1172 3.124,1173 2.808,1174 2.87,1175 3.512,1176 2.84,1177 2.874,1178 3.009,1179 2.799,1180 2.758,1181 3.492,1182 2.717,1183 2.874,1184 2.945,1185 2.662,1186 2.656,1187 3.467,1188 2.578,1189 0.208,1190 0.193,1191 0.298,1192 0.186,1193 0.142,1194 4.568,1195 0.205,1196 4.241,1197 0.149,1198 6.566,1199 0.474,1200 4.089,1201 0.138,1202 3.118,1203 4.515,1204 3.272,1205 10.432,1206 3.036,1207 1.988,1208 1.966,1209 2.071,1210 2.064,1211 1.318,1212 2.071,1213 1.718,1214 1.679,1215 1.913,1216 1.915,1217 1.186,1218 1.926,1219 1.67,1220 1.607,1221 1.828,1222 1.782,1223 1.062,1224 1.821,1225 1.449,1226 1.37,1227 1.689,1228 1.69,1229 0.782,1230 1.696,1231 1.148,1232 1.085,1233 1.445,1234 1.326,1235 0.69,1236 1.373,1237 1.073,1238 0.987,1239 1.417,1240 1.289,1241 0.574,1242 1.341,1243 0.934,1244 0.84,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.905,1250 0.804,1251 1.132,1252 1.073,1253 0.383,1254 1.112,1255 3.807,1257 5.106,1258 2.398,1259 6.6,1260 4.727,1261 8.183,1262 6.823,1263 9.818,1265 4.253,1271 5.747,1274 2.026,1276 2.233,1280 25.498,1281 56.883,1282 134.968,1283 186.968,1284 198.968,1285 198.968,1286 198.968,1287 21.282,1288 6.75,1289 8.17,1290 33.47,1291 17,1292 12.167,1293 3.585,1294 2.807,1295 29.922,1296 60,1297 59,1298 0.25,1299 161.743,1300 271.09,1301 386.412,1302 6769,1304 13.949,1305 0.697,1306 0.656,1307 14.303,1308 13.119,1309 9.737,1310 0.443,1311 0.382,1312 7.281,1313 8.993,1314 6.882,1315 5.731,1316 10.237,1317 8.401,1318 8.704,1319 0.29,1320 0.226,1321 9.234,1322 6.79,1323 7.034,1324 0.18,1325 0.123,1326 7.488,1327 4.791,1328 5.82,1329 0.114,1330 0.069,1331 6.315,1332 3.526,1333 4.792,1334 0.075,1335 0.042,1336 5.348,1337 2.715,1338 0.382,1339 64.779,1340 0.259,1341 19.849,1342 0.707,1343 104,1344 216.151,1345 126.772,1346 237.488,1347 330.98,1348 226,1349 121,1350 230.949,1351 139.219,1352 250.103,1353 364.19,1354 233,1355 7.658} {0 CHEMBL343755,1 1.382,2 8.12,3 2.543,4 6.467,5 100.97,6 6.71,7 0.345,8 4.013,9 4.144,10 3.52,11 3.579,12 4.944,13 3.535,14 4.614,15 4.81,16 3.923,17 4.036,18 5.462,19 3.969,20 4.904,21 5.12,22 4.028,23 4.234,24 5.766,25 4.139,26 5.035,27 5.271,28 4.018,29 4.274,30 5.94,31 4.154,32 5.018,33 5.263,34 3.859,35 4.201,36 5.893,37 4.056,38 4.965,39 5.238,40 3.727,41 4.079,42 5.779,43 3.923,44 4.852,45 5.146,46 3.543,47 3.924,48 5.628,49 3.767,50 4.6,51 4.851,52 3.372,53 3.793,54 5.442,55 3.616,56 0.048,57 0.752,58 11.698,59 4.794,60 7.951,61 6.811,62 0.207,63 1.294,64 22.37,65 8.241,66 16.205,67 12.085,68 0.231,69 1.64,70 30.316,71 11.206,72 25.093,73 16.243,74 0.362,75 1.756,76 35.199,77 13.161,78 44.576,79 18.764,80 0.326,81 1.684,82 34.785,83 12.983,84 49.192,85 18.475,86 0.287,87 1.585,88 33.255,89 11.686,90 39.369,91 17.255,92 0.321,93 1.388,94 30.122,95 9.924,96 35.849,97 14.889,98 0.205,99 1.1,100 22.513,101 9.097,102 29.429,103 12.97,104 17,105 45,106 0.233,107 0.611,108 0.827,109 0.843,110 0.843,111 0.843,112 3.269,113 0.97,114 -3.78,115 -3.75,116 -3.56,119 42,120 2,121 2,122 1,124 1,125 1,127 3,134 1,135 1,140 3,141 3,149 1,150 1,156 1,169 9,171 1,172 8,176 3,178 13,182 5,186 3,189 11,192 2,193 7,197 2,199 13,203 3,206 1,208 1,211 7,215 10,220 1,222 4,226 4,233 3,237 2,240 2,244 9,256 6,259 765,260 16.878,261 16.878,262 16.878,263 16.878,264 16.878,265 15.478,266 22.422,267 9.385,268 17.125,269 14.289,270 14.289,271 14.289,272 14.289,273 14.289,274 12.002,275 34.066,276 4.419,277 14.672,278 4.262,279 2.022,280 0.74,281 0.645,282 0.645,283 0.645,284 3.976,287 1,288 1,289 1,290 462,291 2.915,293 47.979,294 38.643,295 125.725,298 132.42,299 140.277,300 81.288,302 1.254,303 17.72,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 52.5,315 203,316 4.718,317 3.923,318 7.026,319 4.345,320 3.359,321 4.634,322 2.015,323 12.06,324 3.316,325 4.327,326 3.52,327 6.839,328 4.172,329 3.211,330 3.57,331 0.916,332 11.201,333 3.085,334 4.09,335 3.075,336 6.409,337 3.823,338 2.858,339 3.325,340 0.625,341 9.788,342 2.758,343 3.568,344 2.936,345 5.789,346 3.393,347 2.394,348 2.83,349 0.172,350 7.743,351 2.383,352 3.52,353 2.449,354 5.636,355 3.255,356 2.278,357 2.688,358 0.111,359 7.294,360 2.226,361 3.294,362 2.202,363 5.105,364 2.918,365 1.945,366 2.458,368 5.876,369 1.886,370 2.92,371 2.064,372 4.638,373 2.441,374 1.475,375 1.984,377 4.407,378 1.421,379 2.668,380 1.643,381 4.437,382 2.39,383 1.414,384 1.727,386 3.865,387 1.377,388 2.516,389 1.524,390 4.414,391 2.348,392 1.343,393 1.462,395 3.717,396 1.342,397 2.414,398 1.28,399 3.861,400 2.185,401 1.188,402 1.414,404 2.885,405 1.182,406 2.241,407 0.905,408 3.637,409 1.793,410 0.846,411 1.14,413 2.141,414 0.799,415 1.556,416 0.855,417 3.368,418 1.283,419 0.298,420 0.357,422 0.881,423 0.292,424 1.422,425 0.336,426 3.039,427 1.092,428 0.077,429 0.094,431 0.207,432 0.077,433 0.945,434 -0.095,435 2.778,436 0.608,437 -0.374,438 -0.42,440 -1.038,441 -0.365,442 0.769,443 -0.164,444 2.59,445 0.466,446 -0.51,447 -0.588,449 -1.429,450 -0.495,451 12.033,452 0.481,453 0.802,454 0.032,455 27.75,456 1.11,457 11,458 0.44,459 16.75,460 0.67,461 25.536,462 1.021,463 26.967,464 0.539,465 18.877,466 0.755,467 4.983,468 0.199,469 7.059,470 0.282,471 0.152,473 0.482,479 0.769,480 1.359,481 0.859,482 1.096,483 0.579,484 0.999,485 0.886,486 1.045,487 0.882,488 0.891,489 0.541,490 0.875,491 1.13,492 1.074,493 1.037,494 1.03,495 0.925,496 1.017,497 1.18,498 1.008,499 1.019,500 1.027,501 1.421,502 1.017,503 1.327,504 1.096,505 1.118,506 1.111,507 1.692,508 1.11,509 1.17,510 1.071,511 1.031,512 1.025,513 1.2,514 1.017,515 1.354,516 0.77,517 1.013,518 0.795,519 1.12,520 0.85,521 0.633,522 1.131,523 1.086,524 1.261,525 0.852,526 1.233,527 5,528 0.069,529 3.444,530 2.847,531 1.986,532 0.851,533 0.627,534 0.43,535 0.234,536 0.171,537 6866,538 13098,539 2.175,540 50,542 12,543 1,545 1,546 1,547 8,548 2,550 1.685,551 2,552 3.046,553 -0.396,554 1,555 1,559 69.103,560 1.382,561 3.622,562 4.903,563 4.999,564 4.999,565 4.999,566 2.44,567 4.324,568 4.619,569 3.196,570 958.856,571 8.013,572 10978,574 1,576 1,577 282.193,578 1.462,579 4.564,580 0.172,581 0.008,582 0.08,583 0.062,584 0.045,585 0.024,586 0.02,587 0.017,588 0.011,589 0.011,590 0.45,591 0.67,592 0.88,593 0.609,594 116.996,595 0.014,596 -0.15,597 0.086,598 -0.014,599 -0.027,600 0.032,601 0.046,602 0.099,603 0.092,604 0.12,605 0.037,606 0.114,607 -0.1,608 0.005,609 -0.058,610 -0.029,611 -0.028,612 -0.034,613 0.024,614 -0.011,615 -0.028,616 -0.032,617 -0.005,618 -0.036,619 -0.087,620 -0.131,621 -0.126,622 -0.121,623 -0.137,624 -0.131,625 -0.066,626 -0.112,627 -0.038,628 -0.069,629 -0.067,630 -0.054,631 -0.151,632 0.192,633 -0.002,634 0.127,635 -0.012,636 0.091,637 0.17,638 -0.184,639 -0.133,640 -0.246,641 0.106,642 -0.226,643 1.365,644 6.108,645 0.8,646 17.344,647 0.987,648 1.125,649 2.553,650 6.518,651 0.657,652 3.401,653 3.829,654 4.22,655 4.554,656 4.804,657 5.004,658 5.257,659 5.464,660 5.617,661 5.71,662 5.186,663 0.611,664 335.49,665 3.401,666 5.004,667 5.922,668 6.862,669 7.791,670 8.733,671 9.667,672 10.609,673 11.545,674 12.488,675 6,678 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 50,715 1,716 12,717 1,718 29,720 54,721 21,722 8,723 3,724 3,725 2,730 5,731 13,736 2,740 5,741 1,743 5,745 11,746 10,747 1,750 2,755 1,757 1,759 2,760 1,761 1,764 25,765 3,766 1,767 4,773 3,777 0.4,778 1,788 1,791 1,792 1,793 3,796 2,797 2,798 1,806 1,810 1,811 1,815 1,819 2,823 3,827 25,833 3,837 4,838 2,847 2,850 1,854 12.5,855 9.817,856 5.194,857 3.279,858 2.545,859 1.312,860 1.014,861 3.335,862 10.696,863 3.611,864 4.238,865 4.882,866 5.504,867 6.011,868 6.427,869 6.91,870 7.353,871 7.613,872 7.95,873 1,874 46,875 9.347,877 4.202,878 7.473,879 18.643,881 16.923,883 1.973,884 49.333,887 1,888 282.506,889 99.152,890 23.034,892 25.145,895 99.152,896 307.651,897 23.034,898 26.047,899 10.299,900 46.952,901 29.85,902 32.04,903 13.915,904 270.735,906 282.506,907 122.187,908 25.145,911 164.795,912 142.856,915 47.859,916 64.851,917 9.476,919 282.506,920 48.179,921 99.152,924 282.506,925 26.153,926 79.248,927 16.786,928 25.145,929 282.506,930 48.179,931 99.152,933 0.609,934 0.382,935 0.215,936 0.108,937 27,938 12,939 0.019,940 1,941 4,942 1.35,943 3.609,944 235.951,945 0.4,946 19,947 112.096,951 15.51,952 5.376,953 2.145,954 2.546,955 31.394,956 8.626,958 3.406,961 2.702,963 16.786,964 429.838,965 36,970 13.108,972 2.273,974 1.64,975 49.352,976 56.272,977 0.245,978 0.642,979 0.869,980 0.886,981 0.886,982 0.886,983 4.931,984 1.414,985 5.958,986 4.407,987 4.511,988 4.924,989 2.314,990 6.887,991 4.462,992 6.152,993 1.343,994 7.591,995 3.865,996 4.29,997 4.856,998 1.738,999 7.974,1000 4.217,1001 7.494,1002 1.188,1003 9.322,1004 3.717,1005 6.236,1006 7.135,1007 3.192,1008 11.166,1009 6.138,1010 8.869,1011 0.846,1012 11.109,1013 2.885,1014 6.825,1015 7.931,1016 3.273,1017 13.065,1018 6.7,1019 10.279,1020 0.298,1021 12.932,1022 2.141,1023 8.274,1024 9.723,1025 4.394,1026 15.774,1027 8.126,1028 11.713,1029 0.077,1030 14.779,1031 0.881,1032 9.209,1033 10.92,1034 4.768,1035 18.002,1036 9.036,1037 13.165,1038 -0.374,1039 16.644,1040 0.207,1041 10.481,1042 12.537,1043 5.706,1044 20.547,1045 10.287,1046 3.359,1047 -0.51,1048 18.523,1049 -1.038,1050 11.562,1051 13.919,1052 6.226,1053 22.91,1054 11.347,1055 3.211,1056 12.06,1057 20.411,1058 -1.429,1059 12.773,1060 15.475,1061 7.061,1062 25.399,1063 12.538,1064 2.858,1065 11.201,1066 22.308,1067 4.634,1068 13.915,1069 16.94,1070 7.661,1071 27.82,1072 13.661,1073 2.394,1074 9.788,1075 24.211,1076 3.57,1077 15.108,1078 18.476,1079 8.437,1080 30.292,1081 14.836,1082 2.278,1083 7.743,1084 26.119,1085 3.325,1086 16.277,1087 19.978,1088 9.08,1089 32.739,1090 15.987,1091 1.945,1092 7.294,1093 28.032,1094 2.83,1095 17.465,1096 21.509,1097 9.824,1098 35.206,1099 17.16,1100 1.475,1101 5.876,1102 29.948,1103 2.688,1104 18.647,1105 23.028,1106 10.492,1107 37.666,1108 18.325,1109 6333,1110 8840,1111 19.422,1112 32.847,1113 46.234,1114 46.684,1115 47.832,1116 45.416,1117 45.373,1118 55.366,1119 7.679,1120 144.129,1121 44.29,1122 5.718,1123 5.923,1124 6.552,1125 5.398,1126 5.359,1127 7.634,1128 3.529,1129 19.72,1130 5.316,1131 12.258,1132 1.594,1133 1.61,1134 1.649,1135 1.566,1136 1.565,1137 1.909,1138 0.265,1139 4.97,1140 1.527,1141 4.186,1142 4.217,1143 4.146,1144 4.115,1145 7.427,1146 4.119,1147 3.944,1148 3.997,1149 3.864,1150 3.79,1151 4.975,1152 3.8,1153 3.767,1154 3.826,1155 3.67,1156 3.633,1157 4.45,1158 3.634,1159 3.448,1160 3.498,1161 3.345,1162 3.348,1163 4.358,1164 3.341,1165 3.298,1166 3.351,1167 3.2,1168 3.124,1169 4.274,1170 3.134,1171 3.221,1172 3.304,1173 3.058,1174 3.024,1175 3.925,1176 3.021,1177 3.201,1178 3.304,1179 2.932,1180 3.015,1181 3.79,1182 2.981,1183 2.868,1184 2.946,1185 2.724,1186 2.656,1187 3.715,1188 2.652,1189 0.163,1190 0.135,1191 0.242,1192 0.15,1193 0.116,1194 4.718,1195 0.16,1196 3.923,1197 0.069,1198 7.026,1199 0.416,1200 4.345,1201 0.114,1202 3.359,1203 4.634,1204 2.015,1205 12.06,1206 3.316,1207 2.045,1208 2.024,1209 2.134,1210 2.133,1211 1.449,1212 2.135,1213 1.883,1214 1.831,1215 2.059,1216 2.048,1217 1.395,1218 2.054,1219 1.739,1220 1.69,1221 1.895,1222 1.905,1223 1.108,1224 1.906,1225 1.537,1226 1.488,1227 1.717,1228 1.711,1229 0.945,1230 1.717,1231 1.258,1232 1.177,1233 1.632,1234 1.508,1235 0.764,1236 1.542,1237 1.247,1238 1.149,1239 1.566,1240 1.486,1241 0.658,1242 1.527,1243 1.101,1244 1.021,1245 1.37,1246 1.338,1247 0.475,1248 1.362,1249 1.025,1250 0.993,1251 1.303,1252 1.188,1253 0.427,1254 1.216,1255 4.078,1257 5.509,1258 2.398,1259 7.143,1260 4.727,1261 8.864,1262 6.862,1263 10.629,1265 6.486,1271 2.967,1275 1.117,1276 4.461,1280 30.574,1281 69.103,1282 181.118,1283 245.173,1284 249.928,1285 249.928,1286 249.928,1287 36.439,1288 8.151,1289 39.34,1290 39.34,1291 27,1292 12.983,1293 3.7,1294 3,1295 31.941,1296 79,1297 68,1298 0.206,1299 182.057,1300 314.21,1301 435.98,1302 37538,1304 17.292,1305 0.692,1306 0.605,1307 17.292,1308 15.12,1309 12.042,1310 0.415,1311 0.323,1312 9.287,1313 11.71,1314 8.967,1315 7.385,1316 12.042,1317 9.378,1318 11.669,1319 0.259,1320 0.18,1321 11.669,1322 8.109,1323 10.667,1324 0.159,1325 0.097,1326 10.667,1327 6.472,1328 9.67,1329 0.103,1330 0.055,1331 9.67,1332 5.143,1333 7.45,1334 0.062,1335 0.028,1336 7.45,1337 3.411,1338 0.31,1339 74.441,1340 0.227,1341 23.474,1342 0.606,1343 148,1344 315.359,1345 157.097,1346 311.213,1347 444.53,1348 294,1349 186,1350 344.242,1351 196.319,1352 351.677,1353 527.8,1354 333,1355 8.62} {0 CHEMBL344127,1 1.433,2 13.857,3 3.761,4 14.147,5 115.314,6 6.864,7 0.533,8 4.075,9 4.204,10 3.568,11 3.604,12 5.142,13 3.568,14 4.596,15 4.791,16 3.864,17 3.972,18 5.6,19 3.912,20 4.779,21 4.976,22 3.863,23 4.111,24 5.748,25 4.004,26 4.924,27 5.184,28 3.734,29 4.091,30 5.791,31 3.941,32 4.826,33 5.105,34 3.71,35 3.972,36 5.709,37 3.836,38 4.675,39 4.896,40 3.694,41 3.888,42 5.727,43 3.789,44 4.665,45 4.904,46 3.553,47 3.843,48 5.625,49 3.716,50 4.629,51 4.905,52 3.53,53 3.758,54 5.59,55 3.624,56 0.045,57 0.776,58 12.235,59 5.037,60 9.654,61 6.953,62 0.26,63 1.212,64 22.095,65 7.935,66 25.992,67 11.249,68 0.175,69 1.407,70 26.25,71 10.509,72 30.812,73 14.638,74 0.273,75 1.521,76 31.712,77 11.667,78 41.677,79 16.885,80 0.221,81 1.372,82 28.876,83 10.62,84 35.531,85 15.57,86 0.285,87 1.205,88 24.587,89 8.7,90 42.165,91 12.285,92 0.228,93 1.195,94 24.374,95 8.535,96 33.731,97 12.308,98 0.356,99 1.106,100 23.951,101 8.589,102 41.059,103 12.566,104 23,105 40,106 0.236,107 0.595,108 0.791,109 0.844,110 0.844,111 0.844,112 3.373,113 0.939,114 -3.86,115 -3.81,116 -3.62,119 41.8,121 1,124 3,125 2,134 2,140 7,141 4,142 1,149 1,150 1,156 1,169 12,172 4,174 1,176 5,178 13,182 4,186 6,189 11,193 4,197 4,199 7,203 5,206 1,208 3,211 6,215 6,218 1,220 3,222 6,226 3,231 1,233 6,236 1,237 3,240 1,241 1,242 1,244 8,249 1,256 9,259 1336,260 18.886,261 18.886,262 18.886,263 18.886,264 18.886,265 16.773,266 18.8,267 11.278,268 19.262,269 14.741,270 14.741,271 14.741,272 14.741,273 14.741,274 11.372,275 20.596,276 5.329,277 15.21,278 4.349,279 2.172,280 0.98,281 0.659,282 0.659,283 0.659,284 4.057,288 1,289 1,290 819,291 4,294 74.594,295 188.409,298 131.021,302 2.092,303 17.213,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 59.5,315 388,316 4.553,317 3.461,318 6.547,319 4.081,320 3.093,321 4.507,322 1.081,323 10.362,324 3.056,325 4.04,326 3.163,327 5.488,328 3.641,329 2.662,330 3.636,331 0.86,332 7.359,333 2.606,334 3.86,335 2.898,336 5.341,337 3.464,338 2.466,339 3.28,340 0.8,341 6.933,342 2.457,343 3.612,344 2.596,345 5.148,346 3.275,347 2.3,348 2.89,349 0.473,350 6.364,351 2.25,352 3.449,353 2.567,354 5.109,355 3.139,356 2.204,357 2.734,359 6.022,360 2.06,361 3.371,362 2.379,363 4.928,364 3.066,365 2.089,366 2.662,368 5.773,369 2.016,370 3.146,371 2.036,372 4.624,373 2.85,374 1.883,375 2.182,377 5.024,378 1.812,379 2.74,380 1.336,381 4.132,382 2.249,383 1.272,384 1.833,386 3.461,387 1.241,388 2.5,389 1.314,390 3.414,391 2,392 1,393 1.5,395 2.275,396 1,397 2.45,398 1.03,399 3.364,400 1.903,401 0.94,402 1.28,404 2.131,405 0.902,406 2.161,407 1,408 3.256,409 1.752,410 0.806,411 0.999,413 1.81,414 0.758,415 1.908,416 0.979,417 2.963,418 1.529,419 0.576,420 0.725,422 1.164,423 0.539,424 1.579,425 0.801,426 2.861,427 1.333,428 0.393,429 0.453,431 0.797,432 0.367,433 1.549,434 0.438,435 2.631,436 1.223,437 0.257,438 0.332,440 0.5,441 0.247,442 0.903,443 0.12,444 2.327,445 0.531,446 -0.431,447 -0.513,449 -0.891,450 -0.41,451 13.367,452 0.477,453 0.626,454 0.022,455 35,456 1.25,457 17.5,458 0.625,459 17.5,460 0.625,461 21.756,462 0.777,463 30.433,464 0.553,465 26.585,466 0.949,467 7.411,468 0.265,469 6.135,470 0.219,471 0.137,473 0.292,479 0.85,480 1.342,481 0.878,482 1.131,483 0.646,484 1.02,485 1.158,486 0.894,487 0.955,488 0.822,489 0.641,490 0.845,491 0.959,492 1.229,493 1.122,494 1.226,495 0.962,496 1.202,497 0.909,498 1.037,499 1.028,500 1.037,501 1.043,502 1.046,503 0.607,504 0.932,505 0.769,506 0.915,507 0.679,508 0.866,509 1.291,510 1.11,511 1.079,512 1.059,513 1.68,514 1.05,515 1.19,516 1.136,517 1.159,518 1.123,519 1.454,520 1.13,521 0.543,522 0.837,523 0.771,524 0.868,525 0.709,526 0.846,527 6,528 0.178,529 2.889,530 0.979,531 1.356,532 0.802,533 0.43,534 0.449,535 0.268,536 0.076,537 11019,538 26112,539 2.034,540 49.1,542 22,543 1,545 2,547 2,550 1.704,551 1.909,552 3.729,553 0.176,555 1,559 78.796,560 1.433,561 3.609,562 4.801,563 5.122,564 5.122,565 5.122,566 3.213,567 4.379,568 4.776,569 3.911,570 1478.34,571 8.273,572 21046.5,574 1,576 1,577 317.975,578 1.379,579 4.74,580 0.2,581 0.009,582 0.072,583 0.026,584 0.042,585 0.025,586 0.014,587 0.017,588 0.01,589 0.003,590 0.419,591 0.5,592 1,593 1.188,594 145.077,595 -0.021,596 -0.14,597 0.047,598 -0.052,599 -0.041,600 -0.002,601 -0.077,602 0.231,603 0.024,604 0.178,605 0.069,606 0.128,607 -0.093,608 -0.177,609 -0.177,610 -0.184,611 -0.069,612 -0.192,613 -0.066,614 -0.068,615 -0.06,616 -0.052,617 -0.094,618 -0.055,619 0.111,620 0.019,621 0.198,622 0.063,623 0.167,624 0.13,625 -0.053,626 -0.095,627 -0.08,628 -0.076,629 -0.057,630 -0.083,631 -0.134,632 -0.12,633 -0.173,634 -0.152,635 -0.154,636 -0.163,637 0.336,638 0.111,639 0.213,640 0.1,641 0.292,642 0.137,643 1.78,644 5.136,645 0.536,646 31.602,647 0.992,648 1.125,649 2.626,650 6.897,651 0.656,652 3.434,653 3.714,654 3.912,655 4.111,656 4.331,657 4.357,658 4.407,659 4.511,660 4.419,661 4.369,662 7.932,663 0.615,664 377.53,665 3.434,666 4.949,667 5.765,668 6.613,669 7.453,670 8.307,671 9.158,672 10.017,673 10.875,674 11.738,675 5.5,678 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,712 1,714 55,716 18,717 2,718 30,720 57,721 23,722 14,723 5,724 7,725 3,730 3,731 4,743 1,745 17,746 6,750 2,755 1,757 2,759 1,761 1,764 27,765 4,766 2,767 5,773 3,777 0.667,778 2,788 1,792 1,793 2,796 1,805 1,810 2,815 1,819 2,823 3,827 28,833 3,834 1,835 1,838 1,847 3.6,850 1,852 1,854 14.667,855 10.617,856 6.306,857 3.069,858 3.57,859 1.49,860 0.973,861 6.906,862 10.863,863 3.714,864 4.287,865 4.859,866 5.414,867 5.95,868 6.227,869 6.591,870 6.98,871 7.043,872 7.179,873 1,874 38,875 10.32,877 4.182,878 7.631,879 19.949,881 15.762,883 2.131,884 59.667,886 1,887 1,888 294.278,889 152.977,890 37.921,892 36.145,895 152.977,896 330.422,897 37.921,898 27.676,899 24.757,900 94.334,901 29.85,902 48.283,903 13.915,904 282.506,906 294.278,907 190.898,908 36.145,911 270.735,912 59.687,915 44.667,916 127.279,917 18.952,919 294.278,920 74.065,921 152.977,924 294.278,925 30.968,926 125.134,927 34.796,928 36.145,929 294.278,930 74.065,931 152.977,933 0.571,934 0.315,935 0.157,936 0.093,937 17,938 8,939 0.14,940 8,941 1,942 1.133,943 4.13,944 221.045,945 0.133,946 15,947 128.606,951 20.183,952 9.581,953 5.718,954 2.331,955 57.28,956 15.934,958 3.32,961 4.141,963 34.796,964 521.32,965 40,970 12.136,972 3.433,974 -0.113,975 54.563,976 61.896,977 0.248,978 0.624,979 0.83,980 0.886,981 0.886,982 0.886,983 4.92,984 1.272,985 5.727,986 5.024,987 4.394,988 4.973,989 1.828,990 6.463,991 4.343,992 6.114,993 1,994 7.241,995 3.461,996 3.892,997 4.732,998 0.325,999 7.235,1000 3.83,1001 7.402,1002 0.94,1003 8.848,1004 2.275,1005 5.922,1006 7.173,1007 1.684,1008 10.264,1009 5.835,1010 8.727,1011 0.806,1012 10.511,1013 2.131,1014 6.217,1015 7.796,1016 0.268,1017 11.898,1018 6.122,1019 10.085,1020 0.576,1021 12.211,1022 1.81,1023 7.704,1024 9.694,1025 1.666,1026 14.456,1027 7.593,1028 11.466,1029 0.393,1030 13.94,1031 1.164,1032 8.385,1033 10.75,1034 0.188,1035 16.489,1036 8.268,1037 12.866,1038 0.257,1039 15.691,1040 0.797,1041 9.646,1042 12.418,1043 1.705,1044 18.895,1045 9.517,1046 3.093,1047 -0.431,1048 17.461,1049 0.5,1050 10.534,1051 13.699,1052 0.125,1053 21.107,1054 10.397,1055 2.662,1056 10.362,1057 19.247,1058 -0.891,1059 11.698,1060 15.267,1061 1.776,1062 23.465,1063 11.551,1064 2.466,1065 7.359,1066 21.048,1067 4.507,1068 12.696,1069 16.662,1070 0.082,1071 25.751,1072 12.541,1073 2.3,1074 6.933,1075 22.861,1076 3.636,1077 13.823,1078 18.188,1079 1.87,1080 28.095,1081 13.657,1082 2.204,1083 6.364,1084 24.685,1085 3.28,1086 14.88,1087 19.639,1088 0.054,1089 30.412,1090 14.704,1091 2.089,1092 6.022,1093 26.518,1094 2.89,1095 15.995,1096 21.149,1097 1.979,1098 32.751,1099 15.809,1100 1.883,1101 5.773,1102 28.359,1103 2.734,1104 17.082,1105 22.627,1106 0.035,1107 35.08,1108 16.885,1109 10762,1110 16699,1111 19.879,1112 36.063,1113 44.501,1114 45.017,1115 45.017,1116 43.847,1117 43.882,1118 58.024,1119 6.427,1120 119.949,1121 42.624,1122 5.393,1123 5.461,1124 6.102,1125 5.103,1126 5.093,1127 7.507,1128 2.162,1129 17.027,1130 5.056,1131 14.518,1132 1.483,1133 1.501,1134 1.501,1135 1.462,1136 1.463,1137 1.934,1138 0.214,1139 3.998,1140 1.421,1141 4.139,1142 4.172,1143 4.096,1144 4.063,1145 7.43,1146 4.067,1147 3.929,1148 3.956,1149 3.866,1150 3.852,1151 4.968,1152 3.851,1153 3.697,1154 3.756,1155 3.62,1156 3.568,1157 4.864,1158 3.572,1159 3.623,1160 3.685,1161 3.494,1162 3.412,1163 4.43,1164 3.422,1165 3.414,1166 3.472,1167 3.311,1168 3.217,1169 4.384,1170 3.231,1171 3.268,1172 3.325,1173 3.124,1174 3.069,1175 4.309,1176 3.071,1177 3.149,1178 3.239,1179 2.969,1180 2.919,1181 4.037,1182 2.922,1183 3.026,1184 3.115,1185 2.815,1186 2.814,1187 3.865,1188 2.798,1189 0.152,1190 0.115,1191 0.218,1192 0.136,1193 0.103,1194 4.553,1195 0.15,1196 3.461,1197 0.036,1198 6.547,1199 0.345,1200 4.081,1201 0.102,1202 3.093,1203 4.507,1204 1.081,1205 10.362,1206 3.056,1207 1.97,1208 1.95,1209 2.057,1210 2.044,1211 1.263,1212 2.049,1213 1.904,1214 1.88,1215 2.019,1216 2.004,1217 1.153,1218 2.01,1219 1.692,1220 1.631,1221 1.908,1222 1.902,1223 1.095,1224 1.91,1225 1.54,1226 1.503,1227 1.692,1228 1.754,1229 0.79,1230 1.732,1231 1.448,1232 1.366,1233 1.682,1234 1.684,1235 0.728,1236 1.688,1237 1.277,1238 1.219,1239 1.579,1240 1.534,1241 0.621,1242 1.549,1243 1.138,1244 1.056,1245 1.454,1246 1.412,1247 0.545,1248 1.435,1249 1.042,1250 0.949,1251 1.417,1252 1.283,1253 0.492,1254 1.32,1255 4.111,1257 5.398,1258 2.398,1259 6.862,1260 4.727,1261 8.407,1262 6.823,1263 10,1265 5.79,1271 2.474,1272 2.905,1273 5.139,1276 2.176,1280 33.815,1281 78.796,1282 198.501,1283 264.059,1284 281.71,1285 281.71,1286 281.71,1287 44.722,1288 7.293,1289 57.36,1290 57.36,1291 17,1292 12.288,1293 4.248,1294 3.459,1295 50.103,1296 134,1297 140,1298 0.179,1299 211.243,1300 363.5,1301 507.193,1302 15855,1304 19.933,1305 0.712,1306 0.595,1307 19.933,1308 16.659,1309 13.546,1310 0.452,1311 0.313,1312 9.251,1313 13.063,1314 8.897,1315 7.495,1316 13.546,1317 9.385,1318 11.967,1319 0.299,1320 0.177,1321 11.967,1322 7.071,1323 9.464,1324 0.193,1325 0.095,1326 9.464,1327 4.673,1328 7.218,1329 0.12,1330 0.05,1331 7.218,1332 3.014,1333 6.007,1334 0.08,1335 0.028,1336 6.007,1337 2.097,1338 0.293,1339 84.659,1340 0.224,1341 27.585,1342 0.459,1343 140,1344 377.782,1345 149.95,1346 368.733,1347 501.18,1348 346,1349 159,1350 359.252,1351 168.814,1352 372.94,1353 532.31,1354 346,1355 6.983} {0 CHEMBL344537,1 1.507,2 16.417,3 3.786,4 14.331,5 143.145,6 6.911,7 0.525,8 4.352,9 4.49,10 3.862,11 3.853,12 5.361,13 3.825,14 4.932,15 5.13,16 4.186,17 4.269,18 5.868,19 4.211,20 5.19,21 5.429,22 4.179,23 4.429,24 6.04,25 4.312,26 5.314,27 5.587,28 4.12,29 4.46,30 6.07,31 4.31,32 5.312,33 5.589,34 4.127,35 4.447,36 6.031,37 4.298,38 5.311,39 5.578,40 4.137,41 4.435,42 6.106,43 4.291,44 5.289,45 5.57,46 4.076,47 4.384,48 6.104,49 4.233,50 5.201,51 5.49,52 3.954,53 4.275,54 5.978,55 4.118,56 0.065,57 1.146,58 16.221,59 6.462,60 11.819,61 9.09,62 0.338,63 1.844,64 31.03,65 10.576,66 32.063,67 15.339,68 0.387,69 2.213,70 40.968,71 14.556,72 44.768,73 21.295,74 0.431,75 2.275,76 47.297,77 16.524,78 49.624,79 24.576,80 0.368,81 2.184,82 47.183,83 16.702,84 43.502,85 24.939,86 0.545,87 2.256,88 47.503,89 16.414,90 52.846,91 24.157,92 0.676,93 2.194,94 47.179,95 15.87,96 66.556,97 23.55,98 0.382,99 2.057,100 42.819,101 14.149,102 44.059,103 21.476,104 7,105 54,106 0.235,107 0.578,108 0.794,109 0.846,110 0.864,111 0.864,112 3.615,113 0.961,114 -5.08,115 -4.98,116 -4.67,119 39.4,121 4,124 1,125 5,127 2,140 7,141 4,142 1,146 1,149 1,150 1,158 1,164 1,169 11,171 2,172 4,176 6,178 12,182 5,184 1,186 5,189 8,193 8,195 1,197 4,199 8,203 10,211 9,215 6,218 2,220 1,222 7,225 1,226 7,229 1,231 1,233 2,237 5,240 1,242 3,244 3,248 1,249 2,254 1,256 7,259 2542,260 24.971,261 24.971,262 24.971,263 24.971,264 24.971,265 22.469,266 34.331,267 15.066,268 25.604,269 19.767,270 19.767,271 19.767,272 19.767,273 19.767,274 16.075,275 51.273,276 7.146,277 20.716,278 4.643,279 2.439,280 1.055,281 0.719,282 0.602,283 0.602,284 4.325,289 1,290 1301,291 3.808,294 207.021,295 384.883,298 174.994,302 2.505,303 25.996,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 0.83,312 0.5,313 0.73,314 77.5,315 591,316 4.552,317 3.21,318 6.547,319 4.083,320 3.095,321 4.504,322 0.86,323 10.364,324 3.056,325 4.134,326 3.183,327 6.169,328 3.869,329 2.896,330 3.676,331 0.8,332 9.176,333 2.819,334 3.979,335 2.896,336 5.566,337 3.583,338 2.631,339 3.522,340 0.657,341 7.642,342 2.51,343 3.7,344 2.843,345 5.481,346 3.565,347 2.614,348 3.056,349 0.522,350 7.345,351 2.489,352 3.615,353 2.819,354 5.169,355 3.272,356 2.337,357 2.901,359 6.448,360 2.177,361 3.553,362 2.375,363 5.134,364 3.18,365 2.207,366 2.677,368 6.207,369 2.132,370 3.339,371 2.318,372 5.006,373 3.06,374 2.11,375 2.62,377 5.971,378 1.995,379 3.173,380 2.079,381 4.995,382 2.905,383 1.932,384 2.207,386 5.809,387 1.873,388 2.749,389 2.067,390 4.278,391 2.457,392 1.532,393 1.852,395 3.961,396 1.409,397 2.696,398 1.414,399 4.157,400 2.313,401 1.332,402 1.718,404 3.533,405 1.304,406 2.585,407 1.351,408 3.482,409 2.122,410 1.192,411 1.619,413 2.615,414 1.108,415 2.5,416 1.256,417 3.425,418 2.035,419 1.085,420 1.5,422 2.471,423 1.027,424 2.326,425 1.113,426 3.414,427 2,428 1,429 1.292,431 2.275,432 1,433 2.118,434 1.077,435 3.414,436 1.984,437 1,438 1,440 2.275,441 0.983,442 2.046,443 1,444 3.223,445 1.767,446 0.899,447 0.965,449 1.698,450 0.774,451 17.019,452 0.473,453 0.67,454 0.019,455 41.75,456 1.16,457 18,458 0.5,459 23.75,460 0.66,461 35.646,462 0.99,463 39.981,464 0.563,465 30.91,466 0.859,467 8.234,468 0.229,469 9.44,470 0.262,471 0.046,473 0.282,477 1,479 0.746,480 1.304,481 0.84,482 1.184,483 0.565,484 1.051,485 1.109,486 1.032,487 1.021,488 0.971,489 0.676,490 0.977,491 0.878,492 1.07,493 1.076,494 1.118,495 0.799,496 1.123,497 0.749,498 0.916,499 0.992,500 1.041,501 0.634,502 1.049,503 0.64,504 0.873,505 0.873,506 1,507 0.4,508 0.979,509 0.839,510 0.91,511 0.988,512 1.045,513 0.683,514 1.048,515 0.823,516 0.932,517 0.959,518 0.97,519 0.861,520 0.987,521 0.759,522 1.041,523 0.959,524 1.052,525 0.774,526 1.034,527 6.5,528 0.131,529 3.333,530 1.701,531 1.373,532 0.862,533 0.673,534 0.516,535 0.303,536 0.118,537 24384,538 59902,539 2.154,540 49.3,541 2,542 22,543 1,544 2,545 2,547 2,548 4,550 1.768,551 2.077,552 3.95,553 0.148,559 106.991,560 1.507,561 3.711,562 5.094,563 5.431,564 5.548,565 5.548,566 3.409,567 4.496,568 5.143,569 4.178,570 2631.85,571 9.001,572 45947.6,577 436.632,578 1.135,579 5.128,580 0.162,581 0.005,582 0.062,583 0.033,584 0.029,585 0.018,586 0.014,587 0.012,588 0.008,589 0.004,590 0.348,591 0.17,592 0.63,593 0.662,594 202.64,595 0.024,596 -0.138,597 0.071,598 -0.064,599 0.03,600 -0.003,601 -0.116,602 0.033,603 -0.056,604 0.049,605 0.013,606 0.011,607 -0.058,608 -0.055,609 -0.124,610 -0.093,611 -0.009,612 -0.113,613 -0.027,614 -0.019,615 -0.04,616 -0.045,617 -0.001,618 -0.043,619 0.016,620 -0.059,621 0.07,622 -0.002,623 0.041,624 0.035,625 0.027,626 -0.026,627 -0.021,628 -0.052,629 0.004,630 -0.049,631 0.092,632 -0.009,633 0.022,634 0.014,635 0.026,636 0.006,637 0.009,638 -0.126,639 0.009,640 -0.084,641 0.014,642 -0.045,643 1.872,644 5.329,645 0.722,646 47.568,647 0.996,648 1.138,649 3.854,650 14.851,651 0.646,652 3.714,653 4.007,654 4.263,655 4.511,656 4.691,657 4.745,658 4.868,659 5.004,660 5.043,661 5.094,662 9.58,663 0.607,664 490.69,665 3.714,666 5.242,667 6.08,668 6.94,669 7.794,670 8.658,671 9.518,672 10.385,673 11.248,674 12.117,675 8.5,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 71,716 21,717 2,718 40,720 75,721 28,722 16,723 5,724 7,730 5,731 6,740 3,743 6,745 16,746 12,762 1,764 35,765 6,766 2,767 8,773 6,777 0.8,778 1,788 1,792 2,793 3,796 1,814 1,815 1,818 1,819 4,823 1,825 1,827 36,833 9,834 1,835 1,837 2,838 1,844 1,846 1,847 1.4,851 1,854 17.333,855 12.61,856 8,857 4.347,858 3.491,859 1.416,860 0.99,861 8.319,862 11.881,863 3.942,864 4.5,865 5.051,866 5.612,867 6.029,868 6.28,869 6.657,870 7.048,871 7.175,872 7.458,873 0.909,874 51,875 13.342,877 5.612,878 7.574,879 26.228,881 21.916,883 2.074,884 74.667,888 388.446,889 150.05,890 73.146,892 11,893 14.96,895 150.05,896 399.446,897 88.106,898 10.883,899 23.153,900 93.392,901 76.609,902 51.556,903 28.875,904 353.133,906 388.446,907 223.195,908 25.96,911 332.78,912 70.627,913 11,915 80.088,916 109.659,917 33.449,919 403.406,920 84.146,921 150.05,924 388.446,925 46.548,926 108.402,927 34.796,928 59.409,929 388.446,930 99.106,931 150.05,933 0.57,934 0.328,935 0.18,936 0.097,937 25,938 10,939 0.147,940 11,941 1,942 1.077,943 4.935,944 328.485,945 0.077,946 26,947 176.117,951 24.945,952 12.006,953 6.542,954 2.492,955 80.544,956 18.808,957 8.255,958 3.426,961 3.478,962 1.85,963 34.796,964 637.602,965 50.5,975 70.705,976 80.767,977 0.245,978 0.603,979 0.828,980 0.883,981 0.902,982 0.902,983 5.166,984 1.932,985 6.033,986 5.971,987 4.691,988 5.187,989 1.578,990 6.79,991 4.61,992 6.331,993 1.532,994 7.551,995 5.809,996 4.111,997 4.844,998 0.325,999 7.554,1000 4.001,1001 7.609,1002 1.332,1003 9.165,1004 3.961,1005 6.232,1006 7.33,1007 1.124,1008 10.631,1009 6.091,1010 8.922,1011 1.192,1012 10.837,1013 3.533,1014 6.509,1015 7.911,1016 0.268,1017 12.261,1018 6.345,1019 10.271,1020 1.085,1021 12.548,1022 2.615,1023 8.034,1024 9.811,1025 0.825,1026 14.824,1027 7.847,1028 11.644,1029 1,1030 14.286,1031 2.471,1032 8.717,1033 10.844,1034 0.188,1035 16.832,1036 8.515,1037 13.038,1038 1,1039 16.045,1040 2.275,1041 9.991,1042 12.502,1043 0.614,1044 19.223,1045 9.771,1046 3.095,1047 0.899,1048 17.821,1049 2.275,1050 10.879,1051 13.768,1052 0.125,1053 21.403,1054 10.648,1055 2.896,1056 10.364,1057 19.609,1058 1.698,1059 12.045,1060 15.325,1061 0.459,1062 23.739,1063 11.799,1064 2.631,1065 9.176,1066 21.409,1067 4.504,1068 13.038,1069 16.709,1070 0.082,1071 25.996,1072 12.783,1073 2.614,1074 7.642,1075 23.218,1076 3.676,1077 14.16,1078 18.226,1079 0.344,1080 28.317,1081 13.894,1082 2.337,1083 7.345,1084 25.036,1085 3.522,1086 15.206,1087 19.669,1088 0.054,1089 30.609,1090 14.932,1091 2.207,1092 6.448,1093 26.861,1094 3.056,1095 16.313,1096 21.173,1097 0.256,1098 32.928,1099 16.028,1100 2.11,1101 6.207,1102 28.692,1103 2.901,1104 17.388,1105 22.645,1106 0.035,1107 35.238,1108 17.095,1109 22549,1110 35501,1111 27.622,1112 45.847,1113 59.139,1114 59.039,1115 59.504,1116 58.678,1117 58.64,1118 74.163,1119 5.678,1120 162.153,1121 56.044,1122 5.552,1123 5.21,1124 6.31,1125 5.134,1126 5.095,1127 7.504,1128 1.72,1129 17.024,1130 5.056,1131 12.318,1132 1.478,1133 1.476,1134 1.488,1135 1.467,1136 1.466,1137 1.854,1138 0.142,1139 4.054,1140 1.401,1141 4.147,1142 4.184,1143 4.102,1144 4.063,1145 8.201,1146 4.068,1147 3.966,1148 4.009,1149 3.898,1150 3.875,1151 5.09,1152 3.875,1153 3.861,1154 3.942,1155 3.814,1156 3.701,1157 4.946,1158 3.7,1159 3.841,1160 3.897,1161 3.734,1162 3.596,1163 4.712,1164 3.636,1165 3.58,1166 3.642,1167 3.455,1168 3.433,1169 4.556,1170 3.432,1171 3.494,1172 3.545,1173 3.375,1174 3.293,1175 4.368,1176 3.306,1177 3.375,1178 3.442,1179 3.241,1180 3.2,1181 4.282,1182 3.202,1183 3.182,1184 3.268,1185 3.01,1186 2.941,1187 4.048,1188 2.929,1189 0.114,1190 0.08,1191 0.164,1192 0.102,1193 0.077,1194 4.552,1195 0.113,1196 3.21,1197 0.022,1198 6.547,1199 0.259,1200 4.083,1201 0.076,1202 3.095,1203 4.504,1204 0.86,1205 10.364,1206 3.056,1207 1.968,1208 1.944,1209 2.081,1210 2.071,1211 1.432,1212 2.078,1213 1.927,1214 1.896,1215 2.052,1216 2.048,1217 1.293,1218 2.05,1219 1.83,1220 1.772,1221 2,1222 1.982,1223 1.199,1224 1.99,1225 1.664,1226 1.609,1227 1.875,1228 1.83,1229 1.149,1230 1.847,1231 1.465,1232 1.398,1233 1.694,1234 1.746,1235 0.845,1236 1.715,1237 1.449,1238 1.384,1239 1.626,1240 1.707,1241 0.825,1242 1.7,1243 1.335,1244 1.267,1245 1.564,1246 1.57,1247 0.8,1248 1.575,1249 1.211,1250 1.132,1251 1.513,1252 1.494,1253 0.736,1254 1.464,1255 4.394,1257 5.694,1258 3.045,1259 7.174,1260 5.283,1261 8.738,1262 7.273,1263 10.347,1265 1.715,1267 13.329,1271 9.032,1272 3.744,1273 5.427,1275 0.534,1276 2.576,1280 43.128,1281 106.991,1282 263.455,1283 361.696,1284 385.612,1285 393.877,1286 393.877,1287 57.793,1288 8.39,1289 71,1290 71,1291 28,1292 12.662,1293 4.459,1294 3.524,1295 54.919,1296 213,1297 184,1298 0.123,1299 262.003,1300 444.66,1301 631.047,1302 66216,1303 1.4,1304 24.744,1305 0.687,1306 0.58,1307 23.874,1308 20.867,1309 17.674,1310 0.442,1311 0.32,1312 12.618,1313 16.92,1314 12.354,1315 10.205,1316 17.28,1317 12.818,1318 15.449,1319 0.286,1320 0.18,1321 14.827,1322 9.733,1323 12.988,1324 0.186,1325 0.103,1326 12.578,1327 7.194,1328 10.754,1329 0.119,1330 0.058,1331 10.602,1332 5.235,1333 8.459,1334 0.078,1335 0.035,1336 8.235,1337 3.741,1338 0.203,1339 111.159,1340 0.19,1341 34.003,1342 0.312,1343 188,1344 527.093,1345 205.202,1346 485.498,1347 660.96,1348 458,1349 218,1350 478.41,1351 235.947,1352 483.311,1353 698.34,1354 452,1355 8.176} {0 CHEMBL345657,1 1.411,2 14.067,3 1.8,4 3.24,5 121.017,6 7.045,7 0.618,8 4.148,9 4.291,10 3.689,11 3.667,12 5.163,13 3.642,14 4.705,15 4.905,16 4.007,17 4.095,18 5.61,19 4.037,20 4.949,21 5.19,22 3.925,23 4.215,24 5.729,25 4.085,26 5.041,27 5.326,28 3.848,29 4.179,30 5.778,31 4.026,32 4.966,33 5.255,34 3.784,35 4.098,36 5.672,37 3.946,38 4.874,39 5.15,40 3.805,41 4.061,42 5.608,43 3.936,44 4.859,45 5.114,46 3.797,47 4.062,48 5.654,49 3.929,50 4.886,51 5.183,52 3.6,53 3.968,54 5.603,55 3.803,56 0.075,57 0.929,58 12.716,59 4.754,60 11.673,61 6.953,62 0.253,63 1.491,64 23.771,65 7.955,66 20.541,67 11.941,68 0.206,69 1.702,70 31.254,71 11.459,72 22.537,73 17.118,74 0.343,75 1.735,76 35.917,77 12.195,78 33.553,79 18.644,80 0.309,81 1.599,82 33.415,83 11.433,84 27.871,85 17.476,86 0.256,87 1.51,88 30.133,89 10.043,90 23.647,91 15.46,92 0.285,93 1.531,94 29.109,95 10.054,96 25.912,97 15.203,98 0.313,99 1.451,100 31.179,101 9.958,102 29.644,103 15.536,105 46,106 0.229,107 0.601,108 0.806,109 0.89,110 0.89,111 0.89,112 3.44,113 0.937,114 -3.96,115 -3.92,116 -3.71,119 40.4,121 2,122 1,125 5,140 5,141 3,142 1,143 2,149 1,150 1,158 2,164 1,169 7,171 2,172 7,176 5,178 5,182 4,186 5,189 4,193 6,195 2,197 1,199 5,203 6,206 2,211 5,215 5,220 1,222 4,225 1,226 5,229 2,231 3,233 3,236 1,237 1,242 1,244 3,248 2,249 2,253 1,254 1,256 4,259 1572,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 24.36,267 12.752,268 21.538,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.27,275 28.18,276 6.124,277 17.574,278 4.422,279 2.13,280 0.87,281 0.351,282 0.351,283 0.351,284 4.155,288 1,289 1,290 949,291 3,294 240.281,295 195.52,298 130.287,302 2.271,303 12.669,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 422,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.969,327 6.096,328 3.713,329 2.768,330 3.732,331 0.657,332 8.885,333 2.631,334 3.899,335 2.868,336 5.647,337 3.671,338 2.723,339 3.444,341 7.88,342 2.571,343 3.737,344 2.754,345 5.34,346 3.5,347 2.517,348 2.828,350 6.965,351 2.473,352 3.426,353 2.254,354 5.139,355 3.071,356 2.1,357 2.72,359 6.088,360 2.036,361 3.25,362 2.089,363 4.878,364 2.871,365 1.915,366 2.586,368 5.578,369 1.821,370 3.024,371 1.792,372 4.514,373 2.723,374 1.768,375 2.127,377 4.654,378 1.684,379 2.907,380 1.672,381 4.122,382 2.491,383 1.538,384 1.991,386 3.429,387 1.465,388 2.725,389 1.327,390 3.676,391 2.251,392 1.274,393 1.822,395 3.223,396 1.243,397 2.5,398 1.25,399 3.397,400 2.026,401 1.08,402 1.5,404 2.385,405 1.019,406 2.404,407 1.014,408 3.333,409 1.956,410 1,411 1.363,413 2.172,414 0.953,415 2.202,416 1,417 3.247,418 1.903,419 0.947,420 1.165,422 2.136,423 0.903,424 2.118,425 0.857,426 3.24,427 1.729,428 0.767,429 0.978,431 1.811,432 0.736,433 2.102,434 0.756,435 3.227,436 1.643,437 0.678,438 0.927,440 1.642,441 0.653,442 1.761,443 0.618,444 3.033,445 1.518,446 0.618,447 0.731,449 1.372,450 0.556,451 14.3,452 0.477,453 0.496,454 0.017,455 38.5,456 1.283,457 18,458 0.6,459 20.5,460 0.683,461 24.914,462 0.83,463 31.9,464 0.56,465 25.435,466 0.848,467 7.512,468 0.25,469 7.336,470 0.245,473 0.266,479 0.925,480 1.428,481 0.83,482 1.123,483 0.66,484 0.991,485 1.259,486 1.042,487 1.033,488 0.954,489 0.901,490 0.963,491 0.872,492 1.158,493 1.081,494 1.201,495 0.723,496 1.173,497 0.851,498 0.931,499 0.973,500 0.995,501 0.794,502 0.998,503 0.764,504 0.926,505 0.904,506 0.968,507 0.773,508 0.956,509 0.968,510 0.941,511 0.909,512 0.904,513 0.821,514 0.9,515 0.875,516 1.098,517 1.078,518 1.164,519 0.956,520 1.149,521 1.021,522 0.935,523 1.029,524 0.98,525 1.137,526 1.002,527 4.5,528 0.092,529 2.667,530 1.139,531 0.864,532 0.694,533 0.408,534 0.201,535 0.213,536 0.08,537 15153,538 34741,539 2.228,540 47.4,542 15,543 1,544 4,545 2,547 4,548 1,550 1.721,551 2.195,552 3.755,553 0.21,555 1,559 80.399,560 1.411,561 3.702,562 4.963,563 5.482,564 5.482,565 5.482,566 3.248,567 4.307,568 4.877,569 3.962,570 1723.51,571 8.469,572 25711.2,574 1,577 332.475,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.028,584 0.024,585 0.02,586 0.011,587 0.006,588 0.008,589 0.003,590 0.296,591 0.33,592 0.88,594 158.685,595 0.074,596 -0.194,597 0.083,598 -0.065,599 0.23,600 -0.003,601 -0.127,602 0.111,603 -0.078,604 0.044,605 -0.014,606 -0.002,607 -0.077,608 -0.157,609 -0.134,610 -0.168,611 0.021,612 -0.16,613 0.03,614 -0.006,615 0.011,616 -0.005,617 0.056,619 0.088,620 -0.015,621 0.081,622 0.025,623 0.063,624 0.048,625 -0.054,626 0.009,627 0.075,628 0.087,629 0.008,630 0.095,631 0.056,632 -0.105,633 -0.108,634 -0.168,635 -0.064,636 -0.16,637 -0.052,638 -0.021,639 -0.029,640 -0.017,641 -0.137,642 -0.02,643 0.606,644 1.179,645 0.833,646 36.12,647 0.992,648 1.134,649 2.733,650 7.47,651 0.661,652 3.555,653 3.85,654 4.127,655 4.382,656 4.5,657 4.595,658 4.745,659 4.905,660 4.977,661 5.037,662 8.252,663 0.621,664 401.57,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.379,672 10.25,673 11.12,674 11.995,675 12.3,677 1,678 1,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 57,716 21,717 1,718 34,720 61,721 23,722 15,723 3,724 3,730 5,731 6,740 1,741 1,743 2,745 15,746 8,747 1,761 1,764 27,765 5,766 2,767 7,773 7,777 0.8,786 1,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,827 30,833 7,834 1,837 1,838 1,844 1,854 13.667,855 9.917,856 6.583,857 3.478,858 3.584,859 1.443,860 1.025,861 5.777,862 11.669,863 3.818,864 4.394,865 4.989,866 5.574,867 5.994,868 6.327,869 6.779,870 7.214,871 7.418,872 7.657,873 1,874 40,875 11.062,877 4.659,878 7.439,879 21.937,881 18.47,883 1.939,884 58.167,888 294.278,889 121.203,890 89.931,895 121.203,896 294.278,897 89.931,899 15.598,900 74.439,901 114.433,902 51.605,903 13.915,904 235.422,906 294.278,907 211.134,911 235.422,912 58.856,915 90.749,916 70.274,917 50.112,919 294.278,920 89.931,921 121.203,924 294.278,925 29.443,926 96.784,927 34.796,928 50.112,929 294.278,930 89.931,931 121.203,933 0.571,934 0.332,935 0.181,936 0.087,937 23,938 8,939 0.131,940 8,941 1,942 1.08,943 4.512,944 259.91,945 0.08,946 25,947 143.207,951 19.286,952 8.986,953 4.581,954 2.468,955 71.247,956 19.948,957 12.005,958 3.414,961 3.713,962 1.944,963 34.796,964 505.412,965 44.5,975 56.549,976 64.64,977 0.242,978 0.635,979 0.851,980 0.94,981 0.94,982 0.94,983 5.032,984 1.538,985 5.872,986 4.654,987 4.533,988 5.081,989 1.038,990 6.632,991 4.455,992 6.2,993 1.274,994 7.388,995 3.429,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.478,1002 1.08,1003 9.004,1004 3.223,1005 6.071,1006 7.251,1007 0.607,1008 10.5,1009 5.926,1010 8.796,1011 1,1012 10.682,1013 2.385,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.184,1019 10.152,1020 0.947,1021 12.403,1022 2.172,1023 7.889,1024 9.764,1025 0.359,1026 14.738,1027 7.687,1028 11.535,1029 0.767,1030 14.153,1031 2.136,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.37,1037 12.939,1038 0.678,1039 15.924,1040 1.811,1041 9.871,1042 12.487,1043 0.214,1044 19.176,1045 9.621,1046 3.119,1047 0.618,1048 17.713,1049 1.642,1050 10.779,1051 13.766,1052 0.125,1053 21.376,1054 10.512,1055 2.768,1056 10.433,1057 19.514,1058 1.372,1059 11.951,1060 15.334,1061 0.129,1062 23.72,1063 11.66,1064 2.723,1065 8.885,1066 21.325,1067 4.518,1068 12.961,1069 16.729,1070 0.082,1071 25.991,1072 12.654,1073 2.517,1074 7.88,1075 23.146,1076 3.732,1077 14.09,1078 18.253,1079 0.079,1080 28.321,1081 13.763,1082 2.1,1083 6.965,1084 24.973,1085 3.444,1086 15.15,1087 19.703,1088 0.054,1089 30.625,1090 14.809,1091 1.915,1092 6.088,1093 26.807,1094 2.828,1095 16.265,1096 21.211,1097 0.048,1098 32.954,1099 15.907,1100 1.768,1101 5.578,1102 28.646,1103 2.72,1104 17.352,1105 22.688,1106 0.035,1107 35.274,1108 16.981,1109 13760,1110 21001,1111 24.038,1112 37.654,1113 50.708,1114 50.312,1115 50.317,1116 50.308,1117 50.345,1118 65.716,1119 2.915,1120 139.103,1121 48.308,1122 5.527,1123 5.202,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1132 1.491,1133 1.48,1134 1.48,1135 1.48,1136 1.481,1137 1.933,1138 0.086,1139 4.091,1140 1.421,1141 4.154,1142 4.193,1143 4.114,1144 4.061,1145 5.135,1146 4.069,1147 3.923,1148 3.982,1149 3.836,1150 3.797,1151 4.929,1152 3.8,1153 3.852,1154 3.913,1155 3.792,1156 3.713,1157 4.896,1158 3.713,1159 3.815,1160 3.882,1161 3.736,1162 3.577,1163 4.391,1164 3.617,1165 3.466,1166 3.544,1167 3.334,1168 3.306,1169 4.255,1170 3.306,1171 3.339,1172 3.416,1173 3.213,1174 3.136,1175 4.135,1176 3.143,1177 3.191,1178 3.276,1179 3.042,1180 2.994,1181 3.848,1182 2.995,1183 2.971,1184 3.057,1185 2.806,1186 2.813,1187 3.799,1188 2.799,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.569,1195 0.133,1196 3.202,1197 0.024,1198 6.566,1199 0.307,1200 4.1,1201 0.09,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.318,1212 2.049,1213 1.858,1214 1.817,1215 1.995,1216 1.998,1217 1.268,1218 2.001,1219 1.69,1220 1.63,1221 1.896,1222 1.882,1223 1.116,1224 1.887,1225 1.666,1226 1.606,1227 1.876,1228 1.836,1229 1.072,1230 1.858,1231 1.441,1232 1.366,1233 1.654,1234 1.693,1235 0.895,1236 1.678,1237 1.376,1238 1.311,1239 1.534,1240 1.596,1241 0.656,1242 1.589,1243 1.242,1244 1.158,1245 1.499,1246 1.494,1247 0.584,1248 1.508,1249 1.078,1250 0.982,1251 1.356,1252 1.442,1253 0.509,1254 1.379,1255 4.234,1257 5.533,1258 3.434,1259 7.009,1260 5.687,1261 8.567,1262 7.678,1263 10.17,1271 7.757,1272 3.593,1275 0.727,1276 2.596,1280 35.418,1281 80.399,1282 211.042,1283 282.865,1284 312.475,1285 312.475,1286 312.475,1287 34.564,1288 8.085,1289 74.66,1290 74.66,1291 27,1292 12.536,1293 4.459,1294 3.524,1295 41.965,1296 150,1297 148,1298 0.133,1299 215.641,1300 354.3,1301 517.924,1302 44683,1304 20.175,1305 0.673,1306 0.568,1307 20.175,1308 17.037,1309 14.848,1310 0.437,1311 0.312,1312 10.474,1313 14.293,1314 10.277,1315 8.5,1316 14.848,1317 10.62,1318 12.936,1319 0.281,1320 0.176,1321 12.936,1322 8.11,1323 11.214,1324 0.184,1325 0.099,1326 11.214,1327 6.02,1328 9.419,1329 0.119,1330 0.055,1331 9.419,1332 4.352,1333 6.865,1334 0.077,1335 0.031,1336 6.865,1337 2.792,1338 0.218,1339 92.732,1340 0.204,1341 29.238,1342 0.342,1343 160,1344 386.891,1345 171.879,1346 384.393,1347 540.61,1348 364,1349 187,1350 410.603,1351 200.794,1352 419.714,1353 605.75,1354 394,1355 8.42} {0 CHEMBL346649,1 1.547,2 15.977,3 3.608,4 13.015,5 168.805,6 7.2,7 0.255,8 4.508,9 4.623,10 4.028,11 4.001,12 5.637,13 3.981,14 5.067,15 5.243,16 4.388,17 4.407,18 6.213,19 4.364,20 5.341,21 5.536,22 4.561,23 4.633,24 6.371,25 4.579,26 5.537,27 5.722,28 4.666,29 4.734,30 6.709,31 4.677,32 5.647,33 5.86,34 4.63,35 4.778,36 6.731,37 4.695,38 5.66,39 5.905,40 4.557,41 4.749,42 6.707,43 4.634,44 5.641,45 5.905,46 4.365,47 4.65,48 6.592,49 4.521,50 5.483,51 5.739,52 4.331,53 4.521,54 6.479,55 4.402,56 0.173,57 1.175,58 18.029,59 7.981,60 18.232,61 10.446,62 0.685,63 1.877,64 34.662,65 13.016,66 86.761,67 17.858,68 0.486,69 2.411,70 45.928,71 17.09,72 69.396,73 23.555,74 0.973,75 2.722,76 57.645,77 20.415,78 146.711,79 27.182,80 1.114,81 2.94,82 66.173,83 22.352,84 159.757,85 30.756,86 1.145,87 3.008,88 67.579,89 22.322,90 159.939,91 32.636,92 1.178,93 2.811,94 68.617,95 20.822,96 160.416,97 30.612,98 0.943,99 2.432,100 57.607,101 18.869,102 116.338,103 27.316,104 96,105 66,106 0.233,107 0.563,108 0.75,109 0.824,110 0.846,111 0.846,112 3.81,113 0.947,114 -4.14,115 -4.08,116 -3.86,119 39.3,120 3,121 3,122 1,123 1,124 1,125 5,135 2,137 1,138 1,140 9,141 2,142 1,154 1,156 2,164 2,169 16,171 2,172 14,174 2,176 3,178 22,182 16,186 2,189 19,192 2,193 18,195 3,197 7,199 18,202 2,203 15,208 4,211 9,214 2,215 19,218 2,219 1,220 8,222 11,226 8,231 1,233 6,236 4,237 9,240 2,242 3,244 10,248 6,249 7,252 6,254 2,256 4,259 4374,260 29.412,261 29.412,262 29.412,263 29.412,264 29.412,265 26.617,266 42.625,267 17.239,268 29.988,269 22.973,270 22.973,271 22.973,272 22.973,273 22.973,274 18.739,275 54.262,276 7.834,277 23.603,278 4.845,279 2.651,280 1.412,281 0.92,282 0.774,283 0.774,284 4.497,290 1479,291 5.148,295 675.002,302 2.118,303 63.457,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 97,315 703,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.148,322 2.612,323 14.979,324 3.59,325 4.659,326 3.867,327 7.139,328 4.347,329 3.353,330 3.972,331 2.491,332 12.446,333 3.333,334 4.244,335 3.776,336 6.298,337 3.738,338 2.763,339 3.922,340 1.36,341 9.204,342 2.696,343 4.104,344 3.422,345 5.943,346 3.701,347 2.704,348 3.489,349 1.216,350 8.264,351 2.688,352 3.79,353 3.053,354 5.713,355 3.383,356 2.456,357 3.232,358 1.058,359 7.489,360 2.328,361 3.631,362 2.922,363 5.46,364 3.355,365 2.376,366 3.04,367 1.045,368 6.944,369 2.278,370 3.486,371 2.826,372 5.337,373 3.167,374 2.176,375 2.649,376 0.8,377 6.11,378 2.144,379 3.451,380 2.764,381 5.067,382 3.079,383 2.111,384 2.472,385 0.473,386 5.801,387 2.034,388 3.117,389 2.375,390 4.696,391 2.75,392 1.781,393 2.195,394 0.391,395 4.656,396 1.72,397 3.005,398 2.161,399 4.58,400 2.624,401 1.654,402 2.108,404 4.177,405 1.585,406 2.995,407 2.009,408 4.53,409 2.533,410 1.56,411 2.066,413 4.062,414 1.515,415 2.596,416 1.705,417 3.802,418 2.351,419 1.351,420 1.598,422 2.969,423 1.346,424 2.532,425 1.688,426 3.777,427 2.156,428 1.171,429 1.508,431 2.78,432 1.149,433 2.5,434 1.461,435 3.68,436 2.093,437 1.114,438 1.5,440 2.647,441 1.085,442 2.5,443 1.45,444 3.59,445 2,446 1,447 1.5,449 2.372,450 1,451 20.433,452 0.464,453 1.136,454 0.026,455 50.25,456 1.142,457 22.5,458 0.511,459 27.75,460 0.631,461 51.046,462 1.16,463 49.767,464 0.592,465 49.076,466 1.115,467 10.094,468 0.229,469 11.029,470 0.251,471 0.179,472 0.024,473 0.308,479 0.648,480 1.332,481 0.811,482 1.185,483 0.59,484 1.056,485 0.679,486 1.058,487 0.829,488 0.955,489 0.447,490 0.92,491 0.834,492 1.084,493 0.895,494 1.045,495 0.67,496 0.979,497 1.159,498 1.095,499 1.074,500 1.128,501 1.178,502 1.096,503 1.154,504 1.099,505 1.08,506 1.071,507 1.109,508 1.069,509 0.736,510 1.127,511 0.98,512 1.103,513 0.652,514 1.089,515 1.064,516 0.954,517 1.075,518 0.939,519 0.971,520 0.991,521 0.808,522 1.035,523 0.939,524 1.057,525 0.925,526 1.034,527 9,528 0.339,529 6.222,530 4.188,531 3.16,532 2.403,533 1.252,534 0.872,535 0.674,536 0.365,537 33435,538 95814,539 1.988,540 47.6,541 1,542 22,545 2,546 3,547 10,548 2,550 1.822,551 1.827,552 3.86,553 0.126,559 129.961,560 1.547,561 3.741,562 4.981,563 5.472,564 5.618,565 5.618,566 3.291,567 4.789,568 5.433,569 4.131,570 3907.67,571 9.618,572 74571.1,577 536.955,578 1.621,579 5.365,580 0.191,581 0.008,582 0.094,583 0.054,584 0.039,585 0.031,586 0.018,587 0.015,588 0.012,589 0.007,590 0.469,591 0.33,592 0.63,593 1.183,594 257.247,595 0.06,596 -0.072,597 0.046,598 -0.022,599 -0.019,600 -0.001,601 0.141,602 0.083,603 0.091,604 0.115,605 0.17,606 0.099,607 -0.064,608 0.03,609 0.028,610 0.012,611 -0.004,612 0.042,613 -0.08,614 -0.044,615 -0.101,616 -0.096,617 -0.06,618 -0.105,619 -0.117,620 -0.101,621 -0.096,622 -0.063,623 -0.101,624 -0.078,625 0.072,626 -0.127,627 -0.014,628 -0.117,629 0.066,630 -0.089,631 -0.134,632 0.002,633 -0.074,634 0.004,635 -0.113,636 -0.015,637 0.054,638 -0.077,639 0.044,640 -0.085,641 -0.03,642 -0.038,643 2.486,644 6.645,645 0.545,646 57.783,647 1.007,648 1.13,649 2.905,650 8.44,651 0.642,652 3.871,653 4.205,654 4.511,655 4.771,656 4.997,657 5.094,658 5.153,659 5.198,660 5.182,661 5.069,662 9.529,663 0.614,664 604.77,665 3.871,666 5.425,667 6.29,668 7.185,669 8.075,670 8.98,671 9.88,672 10.791,673 11.695,674 12.608,675 4.8,678 1,682 1,684 1,686 1,688 9,693 3,695 12,708 1,714 84,716 19,717 2,718 47,720 87,721 33,722 12,723 3,724 9,725 6,730 4,731 4,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 14,747 1,750 7,752 1,755 4,758 1,759 7,764 40,765 10,766 2,767 11,773 4,777 1,778 7,793 4,802 1,805 1,808 1,810 1,811 2,815 1,817 1,818 1,819 4,823 4,827 44,832 1,833 8,834 1,835 2,837 1,838 1,839 1,847 8.3,849 1,850 2,851 1,852 1,853 2,854 24.083,855 16.133,856 9.972,857 5.213,858 2.682,859 1.323,860 0.92,861 11.227,862 10.972,863 4.111,864 4.654,865 5.159,866 5.644,867 6.121,868 6.366,869 6.676,870 6.955,871 7.168,872 7.107,873 1,874 78,875 16.451,877 7.072,878 7.949,879 30.844,881 25.144,883 2.449,884 107.75,888 447.302,889 177.192,890 43.591,892 165.72,895 177.192,896 613.022,897 43.591,898 43.029,899 38.63,900 85.286,901 121.383,902 47.429,904 447.302,905 50.747,906 447.302,907 220.783,908 165.72,911 306.049,912 245.226,913 61.747,915 85.015,916 127.341,917 8.427,919 447.302,920 209.311,921 177.192,924 447.302,925 54.547,926 131.439,927 18.011,928 182.505,929 447.302,930 209.311,931 177.192,933 0.578,934 0.354,935 0.196,936 0.107,937 28,938 15,939 0.138,940 12,942 1,943 4.999,944 450.583,946 24,947 226.215,951 33.222,952 14.87,953 7.357,955 203.64,956 15.695,961 1.488,963 60.694,964 833.804,965 60,967 -0.486,970 48.98,973 4.536,974 0.794,975 84.603,976 94.933,977 0.242,978 0.585,979 0.779,980 0.856,981 0.879,982 0.879,983 5.375,984 2.111,985 6.304,986 6.11,987 4.89,988 5.342,989 3.543,990 7.198,991 4.848,992 6.587,993 1.781,994 7.926,995 5.801,996 4.635,997 5.223,998 3.058,999 8.523,1000 4.597,1001 7.919,1002 1.654,1003 9.668,1004 4.656,1005 6.581,1006 7.476,1007 4.848,1008 11.656,1009 6.515,1010 9.289,1011 1.56,1012 11.489,1013 4.177,1014 7.194,1015 8.161,1016 5.149,1017 13.898,1018 7.143,1019 10.697,1020 1.351,1021 13.366,1022 4.062,1023 8.647,1024 9.92,1025 6.511,1026 16.663,1027 8.58,1028 12.13,1029 1.171,1030 15.284,1031 2.969,1032 9.636,1033 10.958,1034 7.134,1035 19.21,1036 9.581,1037 13.583,1038 1.114,1039 17.232,1040 2.78,1041 10.934,1042 12.522,1043 8.302,1044 21.901,1045 10.872,1046 3.6,1047 1,1048 19.204,1049 2.647,1050 12.08,1051 13.728,1052 9.072,1053 24.543,1054 12.024,1055 3.353,1056 14.979,1057 21.195,1058 2.372,1059 13.336,1060 15.205,1061 10.141,1062 27.226,1063 13.277,1064 2.763,1065 12.446,1066 23.2,1067 4.148,1068 14.546,1069 16.498,1070 10.987,1071 29.9,1072 14.49,1073 2.704,1074 9.204,1075 25.217,1076 3.972,1077 15.796,1078 17.933,1079 12.003,1080 32.587,1081 15.738,1082 2.456,1083 8.264,1084 27.243,1085 3.922,1086 17.034,1087 19.273,1088 12.891,1089 35.275,1090 16.977,1091 2.376,1092 7.489,1093 29.277,1094 3.489,1095 18.287,1096 20.688,1097 13.877,1098 37.967,1099 18.228,1100 2.176,1101 6.944,1102 31.316,1103 3.232,1104 19.539,1105 22.054,1106 14.789,1107 40.661,1108 19.479,1109 32497,1110 55258,1111 30.224,1112 53.909,1113 70.447,1114 73.135,1115 75.041,1116 69.577,1117 69.629,1118 87.004,1119 22.893,1120 204.835,1121 68.041,1122 5.705,1123 6.2,1124 7.745,1125 5.64,1126 5.6,1127 7.148,1128 4.612,1129 22.771,1130 5.59,1131 28.125,1132 1.499,1133 1.556,1134 1.597,1135 1.48,1136 1.481,1137 1.851,1138 0.487,1139 4.358,1140 1.448,1141 4.07,1142 4.097,1143 4.025,1144 3.977,1145 7.815,1146 3.982,1147 3.995,1148 4.025,1149 3.931,1150 3.917,1151 7.433,1152 3.916,1153 3.869,1154 3.898,1155 3.838,1156 3.717,1157 7.428,1158 3.734,1159 3.766,1160 3.822,1161 3.658,1162 3.633,1163 6.999,1164 3.631,1165 3.623,1166 3.674,1167 3.527,1168 3.446,1169 6.473,1170 3.451,1171 3.531,1172 3.58,1173 3.435,1174 3.33,1175 4.8,1176 3.338,1177 3.468,1178 3.495,1179 3.41,1180 3.21,1181 4.748,1182 3.206,1183 3.422,1184 3.465,1185 3.3,1186 3.107,1187 4.629,1188 3.17,1189 0.1,1190 0.089,1191 0.169,1192 0.098,1193 0.077,1194 4.705,1195 0.088,1196 4.2,1197 0.056,1198 7.943,1199 0.319,1200 4.599,1201 0.076,1202 3.6,1203 4.148,1204 2.612,1205 14.979,1206 3.59,1207 1.993,1208 1.972,1209 2.108,1210 2.113,1211 1.452,1212 2.099,1213 1.977,1214 1.949,1215 2.076,1216 2.089,1217 1.294,1218 2.091,1219 1.793,1220 1.763,1221 1.953,1222 1.983,1223 1.199,1224 1.952,1225 1.753,1226 1.7,1227 1.896,1228 1.912,1229 1.015,1230 1.92,1231 1.589,1232 1.532,1233 1.826,1234 1.794,1235 0.987,1236 1.802,1237 1.489,1238 1.433,1239 1.797,1240 1.733,1241 0.935,1242 1.752,1243 1.367,1244 1.309,1245 1.648,1246 1.634,1247 0.825,1248 1.609,1249 1.274,1250 1.221,1251 1.597,1252 1.624,1253 0.746,1254 1.576,1255 4.554,1257 5.883,1259 7.426,1261 9.072,1263 10.778,1265 6.633,1270 10.802,1271 4.785,1272 3.007,1273 10.615,1275 -0.73,1276 2.287,1277 -0.657,1280 51.572,1281 129.961,1282 314.26,1283 418.386,1284 459.67,1285 471.935,1286 471.935,1287 148.912,1288 8.29,1289 146.28,1290 146.28,1291 24,1292 13.123,1293 4.322,1294 3.807,1295 85.376,1296 253,1297 240,1298 0.16,1299 317.766,1300 582.07,1301 767.11,1302 52984,1304 31.855,1305 0.724,1306 0.583,1307 31.855,1308 25.669,1309 21.122,1310 0.449,1311 0.316,1312 14.609,1313 20.129,1314 14.176,1315 11.762,1316 21.122,1317 14.838,1318 18.69,1319 0.283,1320 0.167,1321 18.69,1322 11.021,1323 15.878,1324 0.176,1325 0.094,1326 15.878,1327 8.434,1328 13.252,1329 0.113,1330 0.053,1331 13.252,1332 6.165,1333 10.248,1334 0.07,1335 0.03,1336 10.248,1337 4.344,1338 0.257,1339 133.863,1340 0.182,1341 38.953,1342 0.423,1343 226,1344 725.831,1345 251.317,1346 683.751,1347 907.74,1348 634,1349 269,1350 650.288,1351 293.273,1352 649.946,1353 947.75,1354 608,1355 6.131} {0 CHEMBL347499,1 1.521,2 15.953,3 3.181,4 10.116,5 168.274,6 7.094,7 0.261,8 4.488,9 4.61,10 3.998,11 4.003,12 5.59,13 3.973,14 5.056,15 5.237,16 4.366,17 4.417,18 6.175,19 4.363,20 5.352,21 5.551,22 4.535,23 4.644,24 6.372,25 4.579,26 5.539,27 5.738,28 4.633,29 4.748,30 6.673,31 4.675,32 5.648,33 5.868,34 4.589,35 4.786,36 6.732,37 4.689,38 5.646,39 5.897,40 4.493,41 4.751,42 6.67,43 4.619,44 5.637,45 5.912,46 4.274,47 4.636,48 6.568,49 4.481,50 5.464,51 5.748,52 4.228,53 4.46,54 6.39,55 4.321,56 0.138,57 1.172,58 17.916,59 7.899,60 14.684,61 10.569,62 0.48,63 1.89,64 34.205,65 13.196,66 75.558,67 18.319,68 0.446,69 2.44,70 46.968,71 17.398,72 74.353,73 24.104,74 0.771,75 2.773,76 58.037,77 20.959,78 130.57,79 28.428,80 1.006,81 2.978,82 66.463,83 22.618,84 165.876,85 31.375,86 0.833,87 3.01,88 66.24,89 22.759,90 150.794,91 33.291,92 0.975,93 2.819,94 68.087,95 21.335,96 161.215,97 31.617,98 0.8,99 2.362,100 57.351,101 18.564,102 109.184,103 27.511,104 93,105 65,106 0.229,107 0.543,108 0.724,109 0.807,110 0.833,111 0.843,112 3.787,113 0.963,114 -4.45,115 -4.38,116 -4.13,119 39.8,120 4,121 3,122 1,123 1,125 5,135 2,137 2,140 9,141 2,142 1,154 1,156 2,164 2,169 16,171 2,172 11,174 1,176 6,178 23,182 15,186 2,189 20,193 18,195 3,196 1,197 5,199 21,202 2,203 13,208 4,211 13,214 2,215 16,218 1,220 9,222 13,226 9,231 1,233 6,236 2,237 9,240 3,242 1,244 9,248 4,249 9,252 6,254 2,256 5,259 3936,260 28.542,261 28.542,262 28.542,263 28.542,264 28.542,265 25.799,266 42.217,267 16.738,268 28.973,269 22.552,270 22.552,271 22.552,272 22.552,273 22.552,274 18.415,275 54.727,276 7.679,277 23.072,278 4.854,279 2.774,280 1.576,281 1.028,282 0.856,283 0.783,284 4.474,289 1,290 1446,291 5.05,295 659.533,302 2.147,303 60.324,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 94,315 686,316 4.706,317 4.203,318 7.944,319 4.599,320 3.601,321 4.11,322 2.612,323 14.984,324 3.591,325 4.641,326 3.896,327 7.131,328 4.346,329 3.348,330 3.973,331 2.491,332 12.406,333 3.339,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.36,341 9.057,342 2.702,343 4.091,344 3.55,345 5.942,346 3.688,347 2.676,348 3.485,349 1.277,350 8.257,351 2.691,352 3.767,353 3.152,354 5.702,355 3.382,356 2.456,357 3.208,358 1.058,359 7.456,360 2.327,361 3.635,362 3.063,363 5.468,364 3.353,365 2.373,366 3.043,367 0.8,368 6.945,369 2.278,370 3.464,371 2.765,372 5.338,373 3.176,374 2.188,375 2.485,376 0.759,377 6.171,378 2.149,379 3.347,380 2.744,381 5.011,382 3.046,383 2.056,384 2.434,385 0.473,386 5.614,387 2.02,388 3.097,389 2.374,390 4.618,391 2.713,392 1.743,393 2.155,394 0.359,395 4.449,396 1.69,397 3.027,398 2.154,399 4.605,400 2.662,401 1.689,402 2.129,404 4.309,405 1.618,406 3.014,407 2.016,408 4.366,409 2.488,410 1.481,411 2.11,413 3.712,414 1.484,415 2.606,416 1.803,417 3.802,418 2.351,419 1.351,420 1.617,422 2.969,423 1.346,424 2.5,425 1.701,426 3.767,427 2.181,428 1.2,429 1.5,431 2.769,432 1.172,433 2.5,434 1.632,435 3.678,436 2.051,437 1.05,438 1.5,440 2.624,441 1.048,442 2.497,443 1.264,444 3.584,445 2,446 1,447 1.469,449 2.372,450 1,451 20.1,452 0.467,453 1.174,454 0.027,455 49.25,456 1.145,457 22.5,458 0.523,459 26.75,460 0.622,461 49.888,462 1.16,463 48.3,464 0.582,465 46.814,466 1.089,467 9.703,468 0.226,469 10.881,470 0.253,471 0.182,472 0.025,473 0.313,479 0.553,480 1.299,481 0.818,482 1.154,483 0.511,484 1.051,485 0.619,486 1.101,487 0.824,488 1.005,489 0.434,490 0.952,491 0.905,492 1.062,493 0.946,494 1.029,495 0.735,496 0.99,497 1.09,498 1.092,499 1.046,500 1.119,501 1.07,502 1.086,503 1.19,504 1.062,505 1.11,506 1.048,507 1.18,508 1.068,509 0.715,510 1.148,511 0.993,512 1.13,513 0.654,514 1.112,515 1.004,516 0.98,517 1.073,518 0.975,519 0.984,520 1.022,521 0.735,522 0.923,523 0.827,524 0.93,525 0.794,526 0.902,527 9,528 0.305,529 6,530 4.188,531 3.08,532 2.319,533 1.131,534 0.809,535 0.662,536 0.309,537 31966,538 88769,539 1.987,540 48.2,541 1,542 19,545 2,546 3,547 13,548 2,550 1.815,551 1.823,552 3.845,553 0.114,559 126.276,560 1.521,561 3.601,562 4.799,563 5.348,564 5.519,565 5.592,566 3.307,567 4.926,568 5.401,569 4.132,570 3731.49,571 9.546,572 70503.6,577 529.128,578 1.634,579 5.33,580 0.196,581 0.008,582 0.092,583 0.055,584 0.038,585 0.031,586 0.017,587 0.016,588 0.013,589 0.006,590 0.473,591 0.17,592 0.63,593 1.119,594 250.351,595 0.089,596 -0.036,597 0.047,598 -0.001,599 -0.004,600 0.008,601 0.133,602 0.04,603 0.094,604 0.068,605 0.155,606 0.076,607 -0.084,608 0.039,609 -0.008,610 0.016,611 -0.027,612 0.024,613 -0.058,614 -0.051,615 -0.074,616 -0.089,617 -0.038,618 -0.087,619 -0.125,620 -0.065,621 -0.12,622 -0.047,623 -0.11,624 -0.081,625 0.046,626 -0.155,627 -0.034,628 -0.137,629 0.064,630 -0.106,631 -0.108,632 -0.037,633 -0.077,634 -0.031,635 -0.105,636 -0.043,637 0.091,638 -0.002,639 0.165,640 0.019,641 0.012,642 0.089,643 2.477,644 6.556,645 0.558,646 54.712,647 1.003,648 1.129,649 3.223,650 10.386,651 0.644,652 3.85,653 4.19,654 4.489,655 4.754,656 4.977,657 5.063,658 5.1,659 5.153,660 5.13,661 4.97,662 9.538,663 0.613,664 588.77,665 3.85,666 5.407,667 6.271,668 7.168,669 8.057,670 8.963,671 9.863,672 10.773,673 11.676,674 12.589,675 4.8,677 1,678 1,682 1,686 1,688 9,693 3,695 12,708 1,714 83,716 19,717 2,718 46,720 86,721 33,722 12,723 3,724 9,725 6,730 4,731 4,736 4,737 1,739 1,740 2,741 1,743 3,745 19,746 14,747 1,750 7,752 1,755 5,759 7,764 40,765 9,766 2,767 10,773 4,777 1,778 6,793 4,803 1,805 1,808 1,810 2,811 2,814 1,815 1,819 4,823 4,827 43,833 8,834 2,835 1,837 1,838 1,839 1,847 7.2,850 3,852 1,853 2,854 23.583,855 15.983,856 9.639,857 5.271,858 2.626,859 1.318,860 0.937,861 10.678,862 10.879,863 4.094,864 4.635,865 5.118,866 5.597,867 6.046,868 6.259,869 6.536,870 6.82,871 7.01,872 6.764,873 1,874 76,875 16.1,877 6.948,878 7.936,879 30.334,881 24.961,883 2.436,884 104.75,888 447.302,889 179.248,890 44.816,892 137.182,895 179.248,896 584.483,897 44.816,898 40.971,899 38.63,900 103.297,901 97.978,902 29.623,904 447.302,905 50.747,906 447.302,907 224.064,908 137.182,911 270.735,912 263.001,913 50.747,915 95.065,916 117.815,917 11.184,919 447.302,920 181.997,921 179.248,924 447.302,925 58.661,926 129.381,927 36.022,928 137.182,929 447.302,930 181.997,931 179.248,933 0.582,934 0.351,935 0.196,936 0.107,937 28,938 15,939 0.14,940 12,942 1,943 4.949,944 435.375,946 24,947 219.329,951 32.281,952 14.223,953 7.128,955 176.327,956 15.831,961 1.565,963 36.022,964 808.547,965 59,967 -0.477,970 61.676,974 1.537,975 83.276,976 93.723,977 0.239,978 0.565,979 0.753,980 0.839,981 0.866,982 0.877,983 5.361,984 2.056,985 6.29,986 6.171,987 4.875,988 5.323,989 3.521,990 7.185,991 4.842,992 6.573,993 1.743,994 7.912,995 5.614,996 4.635,997 5.223,998 3.058,999 8.513,1000 4.609,1001 7.904,1002 1.689,1003 9.655,1004 4.449,1005 6.567,1006 7.446,1007 4.842,1008 11.645,1009 6.513,1010 9.273,1011 1.481,1012 11.478,1013 4.309,1014 7.186,1015 8.144,1016 5.149,1017 13.889,1018 7.15,1019 10.679,1020 1.351,1021 13.356,1022 3.712,1023 8.636,1024 9.885,1025 6.511,1026 16.655,1027 8.583,1028 12.111,1029 1.2,1030 15.274,1031 2.969,1032 9.628,1033 10.928,1034 7.134,1035 19.204,1036 9.588,1037 13.563,1038 1.05,1039 17.224,1040 2.769,1041 10.925,1042 12.481,1043 8.302,1044 21.896,1045 10.877,1046 3.601,1047 1,1048 19.197,1049 2.624,1050 12.072,1051 13.688,1052 9.072,1053 24.54,1054 12.031,1055 3.348,1056 14.984,1057 21.188,1058 2.372,1059 13.328,1060 15.157,1061 10.141,1062 27.223,1063 13.284,1064 2.763,1065 12.406,1066 23.194,1067 4.11,1068 14.54,1069 16.447,1070 10.987,1071 29.899,1072 14.498,1073 2.676,1074 9.057,1075 25.212,1076 3.973,1077 15.79,1078 17.876,1079 12.003,1080 32.587,1081 15.746,1082 2.456,1083 8.257,1084 27.238,1085 3.91,1086 17.029,1087 19.21,1088 12.891,1089 35.275,1090 16.985,1091 2.373,1092 7.456,1093 29.272,1094 3.485,1095 18.282,1096 20.619,1097 13.877,1098 37.968,1099 18.237,1100 2.188,1101 6.945,1102 31.312,1103 3.208,1104 19.534,1105 21.978,1106 14.789,1107 40.663,1108 19.487,1109 31020,1110 51949,1111 29.531,1112 53.455,1113 69.474,1114 72.159,1115 73.516,1116 68.702,1117 68.69,1118 85.877,1119 22.379,1120 202.263,1121 67.516,1122 5.706,1123 6.203,1124 7.746,1125 5.64,1126 5.601,1127 7.11,1128 4.612,1129 22.802,1130 5.591,1131 27.761,1132 1.51,1133 1.569,1134 1.598,1135 1.494,1136 1.493,1137 1.867,1138 0.486,1139 4.397,1140 1.468,1141 4.073,1142 4.102,1143 4.025,1144 3.982,1145 7.815,1146 3.986,1147 3.996,1148 4.027,1149 3.932,1150 3.919,1151 7.434,1152 3.917,1153 3.873,1154 3.904,1155 3.837,1156 3.723,1157 7.428,1158 3.738,1159 3.767,1160 3.823,1161 3.659,1162 3.634,1163 7.426,1164 3.632,1165 3.632,1166 3.682,1167 3.537,1168 3.46,1169 6.999,1170 3.467,1171 3.535,1172 3.581,1173 3.438,1174 3.356,1175 4.763,1176 3.36,1177 3.479,1178 3.529,1179 3.423,1180 3.275,1181 4.718,1182 3.27,1183 3.455,1184 3.489,1185 3.307,1186 3.092,1187 4.527,1188 3.156,1189 0.102,1190 0.091,1191 0.173,1192 0.1,1193 0.078,1194 4.706,1195 0.089,1196 4.203,1197 0.057,1198 7.944,1199 0.326,1200 4.599,1201 0.078,1202 3.601,1203 4.11,1204 2.612,1205 14.984,1206 3.591,1207 1.999,1208 1.977,1209 2.109,1210 2.118,1211 1.452,1212 2.104,1213 1.978,1214 1.95,1215 2.086,1216 2.09,1217 1.315,1218 2.095,1219 1.801,1220 1.771,1221 1.953,1222 1.992,1223 1.2,1224 1.959,1225 1.754,1226 1.701,1227 1.911,1228 1.914,1229 1.016,1230 1.925,1231 1.598,1232 1.544,1233 1.832,1234 1.801,1235 1.004,1236 1.809,1237 1.487,1238 1.44,1239 1.795,1240 1.737,1241 0.937,1242 1.752,1243 1.459,1244 1.393,1245 1.714,1246 1.658,1247 0.825,1248 1.675,1249 1.274,1250 1.203,1251 1.616,1252 1.63,1253 0.804,1254 1.555,1255 4.533,1257 5.866,1259 7.41,1261 9.058,1263 10.764,1265 6.875,1271 5.046,1272 6.199,1273 5.483,1275 -0.643,1276 2.304,1277 -0.646,1280 50.857,1281 126.276,1282 298.924,1283 398.295,1284 443.844,1285 458.109,1286 464.109,1287 145.725,1288 8.253,1289 133.56,1290 133.56,1291 24,1292 13.104,1293 4.322,1294 3.807,1295 82.434,1296 252,1297 220,1298 0.157,1299 313.77,1300 573.28,1301 757.359,1302 51260,1304 31.148,1305 0.724,1306 0.588,1307 31.148,1308 25.274,1309 20.584,1310 0.447,1311 0.321,1312 14.571,1313 19.735,1314 14.114,1315 11.71,1316 20.584,1317 14.758,1318 18.548,1319 0.285,1320 0.172,1321 18.548,1322 11.16,1323 15.356,1324 0.175,1325 0.096,1326 15.356,1327 8.46,1328 13.08,1329 0.114,1330 0.055,1331 13.08,1332 6.279,1333 10.066,1334 0.07,1335 0.031,1336 10.066,1337 4.42,1338 0.254,1339 129.519,1340 0.184,1341 38.324,1342 0.413,1343 222,1344 682.369,1345 244.218,1346 648.303,1347 859.87,1348 600,1349 264,1350 615.785,1351 285.283,1352 616.032,1353 897.39,1354 578,1355 5.717} {0 CHEMBL347501,1 1.57,2 16.067,3 2.719,4 7.395,5 170.35,6 7.303,7 0.25,8 4.526,9 4.637,10 4.052,11 4.005,12 5.677,13 3.992,14 5.08,15 5.249,16 4.407,17 4.413,18 6.245,19 4.376,20 5.36,21 5.552,22 4.582,23 4.641,24 6.421,25 4.589,26 5.55,27 5.736,28 4.679,29 4.739,30 6.721,31 4.684,32 5.653,33 5.863,34 4.659,35 4.782,36 6.776,37 4.704,38 5.672,39 5.912,40 4.586,41 4.756,42 6.734,43 4.649,44 5.658,45 5.915,46 4.432,47 4.661,48 6.652,49 4.547,50 5.514,51 5.76,52 4.403,53 4.542,54 6.557,55 4.441,56 0.221,57 1.185,58 18.087,59 8.03,60 24.019,61 10.348,62 0.765,63 1.889,64 34.777,65 13.053,66 96.878,67 17.683,68 0.686,69 2.432,70 46.638,71 17.262,72 88.218,73 23.696,74 1.102,75 2.735,76 58.199,77 20.546,78 157.947,79 27.326,80 1.312,81 2.941,82 66.37,83 22.34,84 185.022,85 30.745,86 1.293,87 3.011,88 68.346,89 22.303,90 174.093,91 32.525,92 1.37,93 2.821,94 69.928,95 20.863,96 182.246,97 30.6,98 1.114,99 2.468,100 59.48,101 18.97,102 139.651,103 27.256,104 97,105 67,106 0.236,107 0.573,108 0.751,109 0.831,110 0.853,111 0.853,112 3.832,113 0.934,114 -3.42,115 -3.4,116 -3.25,119 38.8,120 2,121 3,122 1,123 1,124 1,125 6,135 2,137 1,138 1,140 9,141 2,142 1,154 1,156 2,164 2,169 16,171 2,172 13,174 2,176 3,178 22,182 16,184 1,186 2,189 19,192 2,193 18,195 3,197 6,199 17,202 2,203 15,207 1,208 5,211 8,214 2,215 18,218 2,219 1,220 9,222 8,226 8,229 1,231 4,233 4,236 4,237 8,240 2,242 4,244 7,248 6,249 7,252 7,253 1,254 5,256 4,259 4776,260 30.119,261 30.119,262 30.119,263 30.119,264 30.119,265 27.324,266 42.31,267 17.764,268 30.661,269 23.473,270 23.473,271 23.473,272 23.473,273 23.473,274 19.239,275 53.922,276 8.128,277 24.163,278 4.839,279 2.593,280 1.41,281 0.877,282 0.733,283 0.733,284 4.519,290 1518,291 5.244,295 692.999,302 2.157,303 69.608,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 100,315 723,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.148,322 2.612,323 14.979,324 3.59,325 4.659,326 3.867,327 7.139,328 4.347,329 3.353,330 3.972,331 2.491,332 12.446,333 3.333,334 4.244,335 3.776,336 6.298,337 3.738,338 2.763,339 3.922,340 1.36,341 9.205,342 2.696,343 4.105,344 3.423,345 5.943,346 3.702,347 2.705,348 3.489,349 1.216,350 8.264,351 2.688,352 3.79,353 3.053,354 5.713,355 3.383,356 2.456,357 3.232,358 1.058,359 7.49,360 2.328,361 3.631,362 2.927,363 5.46,364 3.355,365 2.376,366 3.04,367 1.045,368 6.944,369 2.278,370 3.487,371 2.828,372 5.337,373 3.167,374 2.176,375 2.65,376 0.8,377 6.11,378 2.144,379 3.451,380 2.764,381 5.068,382 3.084,383 2.117,384 2.472,385 0.473,386 5.809,387 2.037,388 3.117,389 2.384,390 4.7,391 2.763,392 1.799,393 2.195,394 0.391,395 4.681,396 1.729,397 3.006,398 2.17,399 4.58,400 2.626,401 1.657,402 2.108,404 4.201,405 1.587,406 2.999,407 2.009,408 4.532,409 2.548,410 1.581,411 2.071,413 4.062,414 1.525,415 2.613,416 1.855,417 3.802,418 2.351,419 1.352,420 1.61,422 2.97,423 1.346,424 2.579,425 1.701,426 3.78,427 2.258,428 1.313,429 1.564,431 2.799,432 1.229,433 2.5,434 1.599,435 3.68,436 2.151,437 1.166,438 1.5,440 2.672,441 1.144,442 2.5,443 1.461,444 3.596,445 2.033,446 1.041,447 1.5,449 2.372,450 1.029,451 20.767,452 0.461,453 1.136,454 0.025,455 51,456 1.133,457 22.5,458 0.5,459 28.5,460 0.633,461 51.976,462 1.155,463 51.233,464 0.603,465 51.118,466 1.136,467 10.405,468 0.231,469 11.218,470 0.249,471 0.169,472 0.024,473 0.303,479 0.699,480 1.324,481 0.81,482 1.175,483 0.645,484 1.043,485 0.72,486 1.069,487 0.854,488 0.968,489 0.511,490 0.938,491 0.783,492 1.083,493 0.893,494 1.048,495 0.659,496 0.991,497 1.09,498 1.088,499 1.053,500 1.121,501 1.088,502 1.09,503 1.049,504 1.108,505 1.052,506 1.081,507 1.001,508 1.075,509 0.739,510 1.132,511 0.978,512 1.108,513 0.664,514 1.094,515 1.027,516 0.963,517 1.049,518 0.946,519 0.942,520 0.986,521 0.872,522 1.044,523 0.951,524 1.064,525 0.972,526 1.035,527 9,528 0.351,529 6.222,530 4.188,531 3.24,532 2.403,533 1.293,534 0.887,535 0.744,536 0.375,537 35400,538 105817,539 1.988,540 47.1,541 1,542 24,545 3,546 3,547 7,548 2,550 1.828,551 1.831,552 3.874,553 0.726,559 133.456,560 1.57,561 3.816,562 5,563 5.533,564 5.677,565 5.677,566 3.3,567 5.058,568 5.464,569 4.152,570 4110.4,571 9.686,572 79797.1,577 544.798,578 1.609,579 5.399,580 0.188,581 0.008,582 0.093,583 0.053,584 0.039,585 0.03,586 0.018,587 0.015,588 0.013,589 0.006,590 0.462,591 0.33,592 0.63,593 1.291,594 264.779,595 0.028,596 -0.057,597 0.035,598 -0.003,599 -0.037,600 0.009,601 0.099,602 0.081,603 0.056,604 0.112,605 0.128,606 0.082,607 -0.027,608 0.034,609 0.021,610 0.014,611 0.005,612 0.034,613 -0.082,614 -0.035,615 -0.093,616 -0.083,617 -0.063,618 -0.093,619 -0.074,620 -0.103,621 -0.079,622 -0.066,623 -0.056,624 -0.076,625 0.056,626 -0.128,627 -0.016,628 -0.118,629 0.048,630 -0.088,631 -0.111,632 -0.005,633 -0.049,635 -0.091,636 -0.006,637 0.022,638 -0.081,639 0.036,640 -0.093,641 -0.049,642 -0.041,643 2.51,644 6.661,645 0.533,646 61.31,647 1.011,648 1.131,649 2.188,650 4.788,651 0.64,652 3.892,653 4.22,654 4.522,655 4.779,656 5.011,657 5.106,658 5.176,659 5.226,660 5.226,661 5.106,662 9.662,663 0.615,664 620.77,665 3.892,666 5.442,667 6.304,668 7.197,669 8.085,670 8.989,671 9.888,672 10.798,673 11.702,674 12.614,675 4.7,678 1,682 1,684 1,686 1,688 9,693 3,695 12,708 1,714 85,716 19,717 2,718 48,720 88,721 33,722 12,723 3,724 9,725 6,730 4,731 4,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 14,747 1,750 7,752 1,755 4,758 1,759 7,764 40,765 11,766 3,767 12,773 4,777 1,778 8,779 1,793 4,802 1,805 1,808 1,810 1,811 2,815 1,817 2,818 1,819 4,823 3,827 45,832 2,833 9,834 1,835 2,837 1,838 1,839 1,847 9.4,848 1,849 1,850 2,851 1,852 1,853 2,854 24.583,855 15.833,856 10.222,857 5.062,858 2.677,859 1.322,860 0.908,861 11.786,862 11.004,863 4.127,864 4.663,865 5.165,866 5.647,867 6.128,868 6.373,869 6.688,870 6.97,871 7.195,872 7.139,873 1,874 79,875 16.837,877 7.269,878 8.017,879 31.362,881 25.566,883 2.517,884 113.25,888 435.531,889 168.367,890 43.591,892 208.403,895 168.367,896 643.934,897 43.591,898 34.204,899 38.63,900 127.97,901 121.383,902 47.429,904 435.531,905 50.747,906 435.531,907 211.957,908 208.403,911 329.591,912 209.913,913 104.43,915 76.19,916 127.341,917 8.427,919 435.531,920 251.994,921 168.367,924 435.531,925 54.547,926 122.614,927 18.011,928 225.189,929 435.531,930 251.994,931 168.367,933 0.576,934 0.351,935 0.192,936 0.107,937 28,938 15,939 0.148,940 13,942 1,943 5.078,944 463.297,946 24,947 233.133,951 34.164,952 15.524,953 7.751,955 246.324,956 15.5,961 1.388,963 103.377,964 855.891,965 61,967 -0.51,970 49.02,973 4.5,974 0.316,975 85.93,976 96.142,977 0.245,978 0.595,979 0.78,980 0.863,981 0.886,982 0.886,983 5.389,984 2.117,985 6.315,986 6.11,987 4.905,988 5.352,989 3.543,990 7.204,991 4.86,992 6.596,993 1.799,994 7.933,995 5.809,996 4.635,997 5.223,998 3.058,999 8.523,1000 4.597,1001 7.925,1002 1.657,1003 9.672,1004 4.681,1005 6.589,1006 7.48,1007 4.848,1008 11.657,1009 6.521,1010 9.294,1011 1.581,1012 11.492,1013 4.201,1014 7.194,1015 8.161,1016 5.149,1017 13.898,1018 7.143,1019 10.7,1020 1.352,1021 13.368,1022 4.062,1023 8.651,1024 9.921,1025 6.511,1026 16.663,1027 8.582,1028 12.132,1029 1.313,1030 15.285,1031 2.97,1032 9.636,1033 10.958,1034 7.134,1035 19.21,1036 9.581,1037 13.585,1038 1.166,1039 17.233,1040 2.799,1041 10.935,1042 12.522,1043 8.302,1044 21.901,1045 10.872,1046 3.6,1047 1.041,1048 19.205,1049 2.672,1050 12.08,1051 13.728,1052 9.072,1053 24.543,1054 12.024,1055 3.353,1056 14.979,1057 21.195,1058 2.372,1059 13.336,1060 15.205,1061 10.141,1062 27.226,1063 13.277,1064 2.763,1065 12.446,1066 23.2,1067 4.148,1068 14.546,1069 16.498,1070 10.987,1071 29.9,1072 14.49,1073 2.705,1074 9.205,1075 25.217,1076 3.972,1077 15.796,1078 17.934,1079 12.003,1080 32.587,1081 15.739,1082 2.456,1083 8.264,1084 27.243,1085 3.922,1086 17.034,1087 19.273,1088 12.891,1089 35.275,1090 16.977,1091 2.376,1092 7.49,1093 29.277,1094 3.489,1095 18.288,1096 20.688,1097 13.877,1098 37.967,1099 18.229,1100 2.176,1101 6.944,1102 31.316,1103 3.232,1104 19.539,1105 22.054,1106 14.789,1107 40.661,1108 19.479,1109 34457,1110 59829,1111 30.917,1112 54.364,1113 71.678,1114 74.485,1115 76.409,1116 70.711,1117 70.797,1118 88.175,1119 22.893,1120 207.266,1121 69.067,1122 5.705,1123 6.2,1124 7.806,1125 5.64,1126 5.6,1127 7.148,1128 4.612,1129 22.771,1130 5.59,1131 28.554,1132 1.493,1133 1.552,1134 1.592,1135 1.473,1136 1.475,1137 1.837,1138 0.477,1139 4.318,1140 1.439,1141 4.07,1142 4.097,1143 4.025,1144 3.977,1145 7.815,1146 3.982,1147 3.995,1148 4.025,1149 3.931,1150 3.917,1151 7.433,1152 3.916,1153 3.869,1154 3.898,1155 3.838,1156 3.717,1157 7.428,1158 3.734,1159 3.766,1160 3.822,1161 3.658,1162 3.633,1163 6.999,1164 3.631,1165 3.624,1166 3.674,1167 3.53,1168 3.446,1169 6.476,1170 3.451,1171 3.548,1172 3.586,1173 3.442,1174 3.33,1175 6.454,1176 3.345,1177 3.468,1178 3.495,1179 3.417,1180 3.211,1181 4.798,1182 3.218,1183 3.428,1184 3.466,1185 3.322,1186 3.107,1187 4.748,1188 3.17,1189 0.098,1190 0.088,1191 0.165,1192 0.096,1193 0.075,1194 4.705,1195 0.086,1196 4.2,1197 0.054,1198 7.943,1199 0.312,1200 4.599,1201 0.075,1202 3.6,1203 4.148,1204 2.612,1205 14.979,1206 3.59,1207 1.993,1208 1.972,1209 2.108,1210 2.113,1211 1.452,1212 2.099,1213 1.977,1214 1.949,1215 2.075,1216 2.089,1217 1.294,1218 2.091,1219 1.793,1220 1.763,1221 1.953,1222 1.983,1223 1.199,1224 1.952,1225 1.753,1226 1.7,1227 1.895,1228 1.912,1229 1.015,1230 1.92,1231 1.589,1232 1.532,1233 1.823,1234 1.795,1235 0.988,1236 1.801,1237 1.474,1238 1.433,1239 1.736,1240 1.741,1241 0.943,1242 1.738,1243 1.363,1244 1.31,1245 1.646,1246 1.634,1247 0.825,1248 1.608,1249 1.274,1250 1.221,1251 1.597,1252 1.624,1253 0.746,1254 1.575,1255 4.575,1257 5.9,1259 7.438,1261 9.08,1263 10.783,1265 4.801,1270 20.028,1271 3.934,1272 2.979,1273 10.509,1275 -0.812,1276 2.27,1277 -0.672,1280 52.286,1281 133.456,1282 324.379,1283 424.985,1284 470.269,1285 482.534,1286 482.534,1287 160.326,1288 8.327,1289 166.51,1290 166.51,1291 24,1292 13.13,1293 4.322,1294 3.807,1295 88.419,1296 260,1297 253,1298 0.16,1299 321.762,1300 590.86,1301 776.86,1302 55256,1304 32.562,1305 0.724,1306 0.574,1307 32.562,1308 25.823,1309 21.622,1310 0.45,1311 0.311,1312 14.696,1313 20.558,1314 14.313,1315 11.833,1316 21.622,1317 14.947,1318 19.043,1319 0.284,1320 0.167,1321 19.043,1322 11.16,1323 16.147,1324 0.177,1325 0.093,1326 16.147,1327 8.483,1328 13.323,1329 0.113,1330 0.052,1331 13.323,1332 6.171,1333 10.514,1334 0.071,1335 0.029,1336 10.514,1337 4.364,1338 0.257,1339 137.57,1340 0.18,1341 39.657,1342 0.423,1343 230,1344 761.981,1345 256.757,1346 714.012,1347 941.18,1348 662,1349 273,1350 663.803,1351 298.712,1352 663.211,1353 966.77,1354 620,1355 5.733} {0 CHEMBL347522,1 1.548,2 15.78,3 1.979,4 3.914,5 160.579,6 7.176,7 0.273,8 4.43,9 4.559,10 3.947,11 3.953,12 5.558,13 3.923,14 4.986,15 5.166,16 4.324,17 4.378,18 6.133,19 4.324,20 5.301,21 5.498,22 4.489,23 4.619,24 6.337,25 4.548,26 5.509,27 5.719,28 4.572,29 4.726,30 6.63,31 4.636,32 5.621,33 5.864,34 4.502,35 4.725,36 6.695,37 4.612,38 5.564,39 5.833,40 4.391,41 4.613,42 6.639,43 4.484,44 5.452,45 5.721,46 4.164,47 4.458,48 6.451,49 4.325,50 5.296,51 5.569,52 4.158,53 4.314,54 6.294,55 4.198,56 0.156,57 1.137,58 16.632,59 7.143,60 17.481,61 9.701,62 0.375,63 1.823,64 31.092,65 12.295,66 74.228,67 17.186,68 0.406,69 2.381,70 43.823,71 16.544,72 79.51,73 22.997,74 0.688,75 2.757,76 55.612,77 20.466,78 124.747,79 28.328,80 0.855,81 2.911,82 64.959,83 21.637,84 166.336,85 31.1,86 0.939,87 2.735,88 62.283,89 19.822,90 167.767,91 29.8,92 0.85,93 2.371,94 56.548,95 16.959,96 155.665,97 25.232,98 0.705,99 2.026,100 48.166,101 15.501,102 104.631,103 22.78,104 91,105 63,106 0.236,107 0.553,108 0.705,109 0.798,110 0.825,111 0.829,112 3.741,113 0.944,114 -3.67,115 -3.64,116 -3.47,119 39.7,120 3,121 3,122 1,123 1,125 4,135 2,137 2,140 9,141 2,142 1,154 1,156 2,161 1,162 1,163 1,164 2,169 16,171 1,172 9,173 1,174 2,176 7,178 23,180 1,182 12,186 3,189 22,191 1,193 15,195 3,196 2,197 7,198 1,199 19,201 3,202 1,203 12,208 6,211 10,213 2,214 2,215 14,217 1,218 2,219 1,220 11,221 1,222 9,224 3,226 7,231 1,233 5,236 2,237 8,239 1,240 4,242 2,244 7,246 1,248 4,249 7,251 2,252 7,254 3,256 4,259 3579,260 26.965,261 26.965,262 26.965,263 26.965,264 26.965,265 24.17,266 40.579,267 15.607,268 27.184,269 21.587,270 21.587,271 21.587,272 21.587,273 21.587,274 17.441,275 53.721,276 7.21,277 21.892,278 4.738,279 2.658,280 1.668,281 1.058,282 0.875,283 0.85,284 4.428,289 1,290 1370,291 4.848,295 621.761,302 2.1,303 58.134,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 89.5,315 647,316 4.695,317 4.157,318 7.926,319 4.596,320 3.591,321 4.11,322 2.612,323 14.865,324 3.611,325 4.641,326 3.888,327 7.131,328 4.344,329 3.348,330 3.964,331 2.242,332 12.406,333 3.333,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.36,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 1.058,350 8.257,351 2.681,352 3.767,353 3.136,354 5.702,355 3.382,356 2.454,357 3.208,358 0.98,359 7.456,360 2.325,361 3.616,362 2.984,363 5.4,364 3.352,365 2.373,366 3.018,367 0.8,368 6.944,369 2.278,370 3.447,371 2.759,372 5.311,373 3.151,374 2.141,375 2.475,376 0.759,377 5.911,378 2.155,379 3.346,380 2.744,381 5.011,382 3.039,383 2.056,384 2.429,385 0.359,386 5.613,387 2.006,388 3.097,389 2.372,390 4.615,391 2.693,392 1.708,393 2.153,394 0.236,395 4.445,396 1.674,397 3.014,398 2.154,399 4.402,400 2.546,401 1.507,402 2.111,404 3.713,405 1.557,406 2.941,407 2.003,408 4.366,409 2.478,410 1.473,411 2.036,413 3.454,414 1.471,415 2.582,416 1.702,417 3.802,418 2.35,419 1.35,420 1.567,422 2.965,423 1.345,424 2.5,425 1.632,426 3.767,427 2.132,428 1.13,429 1.5,431 2.734,432 1.129,433 2.5,434 1.265,435 3.678,436 2.042,437 1.037,438 1.5,440 2.575,441 1.039,442 2.485,443 1.077,444 3.578,445 2,446 1,447 1.438,449 2.372,450 1,451 19.167,452 0.467,453 1.212,454 0.03,455 48,456 1.171,457 22.5,458 0.549,459 25.5,460 0.622,461 45.68,462 1.114,463 45.633,464 0.585,465 45.093,466 1.1,467 9.497,468 0.232,469 10.05,470 0.245,471 0.186,472 0.026,473 0.329,479 0.549,480 1.234,481 0.822,482 1.076,483 0.544,484 1.002,485 0.535,486 1.108,487 0.804,488 1.021,489 0.405,490 0.962,491 0.867,492 1.083,493 0.978,494 1.065,495 0.751,496 1.036,497 0.903,498 1.114,499 1.035,500 1.17,501 0.925,502 1.138,503 1.032,504 1.088,505 1.041,506 1.061,507 1.042,508 1.058,509 0.739,510 1.039,511 0.942,512 1.02,513 0.658,514 1.012,515 1.15,516 0.98,517 1.11,518 0.967,519 1.105,520 1.015,521 0.798,522 0.934,523 0.83,524 0.956,525 0.887,526 0.912,527 9,528 0.305,529 5.778,530 4.063,531 3.08,532 2.292,533 1.05,534 0.738,535 0.641,536 0.309,537 28344,538 79165,539 1.987,540 47.4,541 1,542 17,545 4,546 3,547 10,548 2,550 1.804,551 1.815,552 3.81,553 1.411,559 120.712,560 1.548,561 3.627,562 4.618,563 5.227,564 5.41,565 5.436,566 3.293,567 4.919,568 5.332,569 4.095,570 3357.67,571 9.405,572 60980.1,577 490.261,578 1.658,579 5.257,580 0.205,581 0.008,582 0.092,583 0.056,584 0.041,585 0.034,586 0.018,587 0.016,588 0.014,589 0.006,590 0.489,591 0.17,592 0.75,593 0.887,594 235.286,595 0.075,596 0.037,597 0.033,598 0.056,599 -0.021,600 0.038,601 0.133,602 0.042,603 0.093,604 0.062,605 0.17,606 0.071,607 -0.093,608 0.018,609 -0.056,610 -0.008,611 -0.037,612 -0.017,613 -0.005,614 -0.079,615 -0.084,616 -0.134,617 -0.015,618 -0.128,619 -0.082,620 -0.12,621 -0.057,622 -0.071,623 -0.077,624 -0.064,625 0.086,626 -0.076,627 0.043,628 -0.06,629 0.093,630 -0.023,631 -0.151,632 -0.033,633 -0.099,634 -0.03,635 -0.139,636 -0.048,637 0.114,638 -0.011,639 0.173,640 0.001,641 -0.004,642 0.078,643 2.499,644 6.467,645 0.585,646 51.158,647 1.004,648 1.131,649 2.444,650 5.971,651 0.647,652 3.807,653 4.159,654 4.454,655 4.71,656 4.927,657 5.011,658 5.037,659 5.081,660 5.069,661 4.927,662 9.234,663 0.617,664 559.73,665 3.807,666 5.371,667 6.236,668 7.135,669 8.025,670 8.93,671 9.828,672 10.737,673 11.639,674 12.55,675 6.4,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 78,716 19,717 2,718 44,720 81,721 31,722 12,723 3,724 9,725 6,730 4,731 4,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 12,747 1,750 7,752 1,755 5,759 7,764 37,765 9,766 4,767 10,773 5,777 1,778 5,793 4,803 1,804 1,805 1,810 2,811 2,814 1,815 1,819 4,823 3,827 41,828 1,833 7,834 2,837 1,838 1,839 1,847 6.4,850 3,853 2,854 22.583,855 14.65,856 9.056,857 4.729,858 2.671,859 1.327,860 0.949,861 9.545,862 10.844,863 4.06,864 4.615,865 5.094,866 5.574,867 6.027,868 6.237,869 6.51,870 6.792,871 6.981,872 6.742,873 1,874 73,875 15.332,877 6.685,878 7.982,879 28.776,881 23.921,883 2.482,884 101.75,888 388.446,889 163.344,890 77.713,892 126.182,895 163.344,896 514.628,897 77.713,898 32.146,899 66.934,900 103.297,901 95.491,902 18.623,904 388.446,905 50.747,906 388.446,907 241.057,908 126.182,911 247.193,912 216.688,913 50.747,915 114.545,916 115.328,917 11.184,919 388.446,920 203.895,921 163.344,924 388.446,925 51.582,926 120.556,927 36.022,928 159.079,929 388.446,930 203.895,931 163.344,933 0.589,934 0.355,935 0.193,936 0.104,937 28,938 15,939 0.123,940 10,942 1,943 4.813,944 408.948,946 24,947 205.66,951 30.325,952 12.904,953 6.486,955 198.225,956 15.799,961 1.555,963 68.919,964 755.685,965 57,967 -0.499,970 60.87,974 0.924,975 78.283,976 88.182,977 0.246,978 0.577,979 0.735,980 0.832,981 0.861,982 0.865,983 5.333,984 2.056,985 6.263,986 5.911,987 4.844,988 5.303,989 3.397,990 7.162,991 4.822,992 6.553,993 1.708,994 7.89,995 5.613,996 4.635,997 5.223,998 2.972,999 8.501,1000 4.616,1001 7.889,1002 1.507,1003 9.637,1004 4.445,1005 6.544,1006 7.435,1007 4.655,1008 11.621,1009 6.507,1010 9.26,1011 1.473,1012 11.462,1013 3.713,1014 7.179,1015 8.138,1016 4.954,1017 13.864,1018 7.157,1019 10.668,1020 1.35,1021 13.341,1022 3.454,1023 8.62,1024 9.877,1025 6.287,1026 16.62,1027 8.588,1028 12.1,1029 1.13,1030 15.259,1031 2.965,1032 9.615,1033 10.921,1034 6.88,1035 19.162,1036 9.602,1037 13.552,1038 1.037,1039 17.208,1040 2.734,1041 10.909,1042 12.474,1043 8.046,1044 21.845,1045 10.893,1046 3.591,1047 1,1048 19.181,1049 2.575,1050 12.056,1051 13.681,1052 8.787,1053 24.481,1054 12.054,1055 3.348,1056 14.865,1057 21.171,1058 2.372,1059 13.309,1060 15.149,1061 9.861,1062 27.155,1063 13.311,1064 2.763,1065 12.406,1066 23.175,1067 4.11,1068 14.518,1069 16.439,1070 10.686,1071 29.822,1072 14.531,1073 2.676,1074 9.057,1075 25.191,1076 3.964,1077 15.766,1078 17.867,1079 11.708,1080 32.501,1081 15.785,1082 2.454,1083 8.257,1084 27.216,1085 3.91,1086 17.002,1087 19.201,1088 12.584,1089 35.18,1090 17.029,1091 2.373,1092 7.456,1093 29.247,1094 3.485,1095 18.253,1096 20.61,1097 13.577,1098 37.864,1099 18.287,1100 2.141,1101 6.944,1102 31.285,1103 3.208,1104 19.502,1105 21.968,1106 14.484,1107 40.55,1108 19.543,1109 27389,1110 46063,1111 28.145,1112 50.483,1113 67.085,1114 69.449,1115 70.626,1116 66.275,1117 66.253,1118 83.482,1119 20.813,1120 196.8,1121 65.567,1122 5.695,1123 6.157,1124 7.728,1125 5.637,1126 5.591,1127 7.11,1128 4.612,1129 22.524,1130 5.611,1131 26.787,1132 1.525,1133 1.578,1134 1.605,1135 1.506,1136 1.506,1137 1.897,1138 0.473,1139 4.473,1140 1.49,1141 4.071,1142 4.101,1143 4.024,1144 3.981,1145 7.815,1146 3.984,1147 3.999,1148 4.03,1149 3.933,1150 3.924,1151 7.438,1152 3.922,1153 3.871,1154 3.902,1155 3.836,1156 3.718,1157 7.429,1158 3.733,1159 3.767,1160 3.823,1161 3.659,1162 3.638,1163 7.426,1164 3.636,1165 3.627,1166 3.683,1167 3.53,1168 3.461,1169 6.999,1170 3.464,1171 3.492,1172 3.533,1173 3.43,1174 3.324,1175 4.896,1176 3.334,1177 3.464,1178 3.491,1179 3.401,1180 3.176,1181 4.755,1182 3.179,1183 3.385,1184 3.451,1185 3.249,1186 3.084,1187 4.708,1188 3.156,1189 0.107,1190 0.094,1191 0.18,1192 0.104,1193 0.082,1194 4.695,1195 0.093,1196 4.157,1197 0.059,1198 7.926,1199 0.338,1200 4.596,1201 0.082,1202 3.591,1203 4.11,1204 2.612,1205 14.865,1206 3.611,1207 1.997,1208 1.974,1209 2.117,1210 2.117,1211 1.46,1212 2.106,1213 1.985,1214 1.956,1215 2.083,1216 2.093,1217 1.309,1218 2.097,1219 1.796,1220 1.765,1221 1.953,1222 1.991,1223 1.202,1224 1.957,1225 1.756,1226 1.703,1227 1.904,1228 1.913,1229 1.016,1230 1.924,1231 1.602,1232 1.544,1233 1.835,1234 1.796,1235 0.999,1236 1.808,1237 1.439,1238 1.397,1239 1.677,1240 1.656,1241 0.825,1242 1.654,1243 1.354,1244 1.286,1245 1.657,1246 1.632,1247 0.775,1248 1.611,1249 1.236,1250 1.193,1251 1.513,1252 1.597,1253 0.741,1254 1.549,1255 4.489,1257 5.832,1259 7.382,1261 9.033,1263 10.74,1265 5.156,1269 5.724,1271 5.018,1272 6.083,1275 -0.755,1276 2.319,1277 -0.444,1280 48.11,1281 120.712,1282 282.899,1283 360.183,1284 407.732,1285 421.997,1286 423.997,1287 136.493,1288 8.172,1289 150.35,1290 150.35,1291 24,1292 13.066,1293 4.322,1294 3.807,1295 76.472,1296 229,1297 220,1298 0.159,1299 297.383,1300 540.89,1301 717.375,1302 46654,1304 29.733,1305 0.725,1306 0.579,1307 29.733,1308 23.736,1309 19.546,1310 0.444,1311 0.315,1312 13.683,1313 18.799,1314 13.269,1315 10.999,1316 19.546,1317 13.847,1318 18.013,1319 0.286,1320 0.171,1321 18.013,1322 10.804,1323 14.803,1324 0.174,1325 0.098,1326 14.803,1327 8.354,1328 12.513,1329 0.114,1330 0.055,1331 12.513,1332 6.103,1333 9.614,1334 0.07,1335 0.031,1336 9.614,1337 4.205,1338 0.256,1339 122.672,1340 0.188,1341 36.922,1342 0.417,1343 214,1344 639.946,1345 233.592,1346 616.622,1347 815.87,1348 568,1349 255,1350 585.175,1351 273.461,1352 588.937,1353 853.89,1354 552,1355 5.424} {0 CHEMBL347559,1 1.565,2 15.725,3 2.267,4 5.14,5 156.007,6 7.334,7 0.279,8 4.382,9 4.51,10 3.919,11 3.914,12 5.539,13 3.888,14 4.929,15 5.106,16 4.287,17 4.342,18 6.085,19 4.288,20 5.249,21 5.453,22 4.442,23 4.577,24 6.283,25 4.503,26 5.435,27 5.654,28 4.51,29 4.653,30 6.58,31 4.564,32 5.497,33 5.739,34 4.441,35 4.629,36 6.612,37 4.528,38 5.445,39 5.701,40 4.347,41 4.532,42 6.573,43 4.415,44 5.384,45 5.652,46 4.132,47 4.399,48 6.408,49 4.274,50 5.222,51 5.49,52 4.132,53 4.261,54 6.256,55 4.154,56 0.156,57 1.099,58 15.246,59 6.57,60 20.104,61 8.885,62 0.364,63 1.757,64 28.565,65 11.473,66 72.42,67 15.936,68 0.348,69 2.313,70 40.806,71 15.547,72 70.867,73 21.781,74 0.647,75 2.627,76 51.187,77 18.432,78 125.364,79 25.894,80 0.722,81 2.678,82 56.592,83 18.693,84 157.268,85 26.84,86 0.823,87 2.514,88 54.303,89 17.606,90 156.775,91 26.11,92 0.801,93 2.262,94 52.755,95 15.703,96 154.998,97 23.202,98 0.653,99 1.931,100 44.473,101 14.388,102 103.097,103 20.999,104 74,105 61,106 0.24,107 0.572,108 0.711,109 0.793,110 0.822,111 0.826,112 3.717,113 0.933,114 -3.48,115 -3.46,116 -3.31,119 40.5,120 2,121 3,122 1,123 1,125 4,135 2,137 2,140 9,141 2,142 1,156 3,161 1,162 1,163 1,164 2,169 16,171 1,172 8,173 1,174 2,176 7,178 22,180 1,182 12,186 3,189 19,191 1,193 15,195 3,196 2,197 7,198 1,199 17,201 3,202 1,203 11,208 6,211 8,213 2,214 2,215 14,217 1,218 2,219 1,220 11,221 1,222 8,224 3,226 7,231 1,233 4,236 2,237 8,239 1,240 4,242 2,244 7,246 1,248 4,249 7,251 2,252 7,254 2,256 4,259 3430,260 26.603,261 26.603,262 26.603,263 26.603,264 26.603,265 23.885,266 39.196,267 15.398,268 26.87,269 21.03,270 21.03,271 21.03,272 21.03,273 21.03,274 16.916,275 49.698,276 7.063,277 21.414,278 4.644,279 2.487,280 1.582,281 1.051,282 0.858,283 0.831,284 4.405,289 1,290 1335,291 4.637,295 603.643,302 2.103,303 54.511,306 0.75,307 0.67,308 0.67,309 0.7,310 0.5,311 0.67,312 0.5,313 0.64,314 87,315 629,316 4.641,317 4.415,318 7.635,319 4.487,320 3.49,321 4.11,322 2.612,323 13.923,324 3.481,325 4.628,326 3.888,327 7.131,328 4.344,329 3.348,330 3.91,331 2.517,332 12.406,333 3.333,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.903,340 1.36,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 1.058,350 8.257,351 2.681,352 3.767,353 3.384,354 5.702,355 3.38,356 2.451,357 3.208,358 0.98,359 7.456,360 2.325,361 3.603,362 3.136,363 5.36,364 3.352,365 2.373,366 2.915,367 0.8,368 6.942,369 2.278,370 3.445,371 2.778,372 5.075,373 3.058,374 2.069,375 2.458,376 0.759,377 5.616,378 2.04,379 3.346,380 2.744,381 5.011,382 3.028,383 2.042,384 2.411,385 0.359,386 5.581,387 1.998,388 3.098,389 2.372,390 4.615,391 2.688,392 1.705,393 2.152,395 4.444,396 1.668,397 3.06,398 2.154,399 4.366,400 2.482,401 1.482,402 2.111,404 3.713,405 1.474,406 3.014,407 2.092,408 3.802,409 2.352,410 1.352,411 1.806,413 2.971,414 1.346,415 2.62,416 1.705,417 3.768,418 2.228,419 1.233,420 1.503,422 2.802,423 1.226,424 2.501,425 1.632,426 3.68,427 2.052,428 1.051,429 1.5,431 2.646,432 1.048,433 2.5,434 1.296,435 3.614,436 2,437 1,438 1.5,440 2.372,441 1,442 2.5,443 1.077,444 3.452,445 2,446 1,447 1.346,449 2.275,450 1,451 18.733,452 0.468,453 1.094,454 0.027,455 49,456 1.225,457 24,458 0.6,459 25,460 0.625,461 41.927,462 1.048,463 43.667,464 0.59,465 44.821,466 1.121,467 9.57,468 0.239,469 9.594,470 0.24,471 0.167,472 0.027,473 0.31,479 0.557,480 1.205,481 0.805,482 1.039,483 0.526,484 0.97,485 0.531,486 1.091,487 0.819,488 1.018,489 0.375,490 0.97,491 0.78,492 1.093,493 0.955,494 1.071,495 0.638,496 1.039,497 0.863,498 1.088,499 1.009,500 1.126,501 0.927,502 1.1,503 1.067,504 1.066,505 1.047,506 1.043,507 1.102,508 1.042,509 0.778,510 1.089,511 0.982,512 1.076,513 0.71,514 1.062,515 1.225,516 0.954,517 1.122,518 0.951,519 1.154,520 1.002,521 0.841,522 0.938,523 0.851,524 0.977,525 0.932,526 0.93,527 8.5,528 0.289,529 5.333,530 3.563,531 2.88,532 2.146,533 0.969,534 0.707,535 0.617,536 0.309,537 26799,538 76291,539 2.001,540 45.9,541 1,542 17,545 4,547 10,548 2,550 1.798,551 1.839,552 3.815,553 1.431,559 115.809,560 1.565,561 3.722,562 4.628,563 5.158,564 5.351,565 5.378,566 3.296,567 4.672,568 5.294,569 4.088,570 3188.88,571 9.332,572 56876.2,577 459.5,578 1.629,579 5.228,580 0.198,581 0.008,582 0.087,583 0.051,584 0.041,585 0.033,586 0.017,587 0.016,588 0.013,589 0.007,590 0.47,591 0.17,592 0.75,593 0.878,594 228.014,595 0.085,596 0.038,597 0.032,598 0.061,600 0.04,601 0.143,602 0.039,603 0.065,604 0.053,605 0.174,606 0.049,607 -0.07,608 -0.014,609 -0.044,610 -0.025,611 -0.014,612 -0.025,613 0.013,614 -0.066,615 -0.056,616 -0.11,617 -0.018,618 -0.1,619 -0.106,620 -0.088,621 -0.06,622 -0.059,623 -0.097,624 -0.054,625 0.097,626 -0.121,627 0.008,628 -0.105,629 0.09,630 -0.07,631 -0.17,632 -0.016,633 -0.096,634 -0.012,635 -0.156,636 -0.033,637 0.125,638 -0.019,639 0.164,640 -0.013,641 -0.014,642 0.064,643 2.499,644 6.433,645 0.6,646 50.325,647 1.004,648 1.13,649 2.253,650 5.077,651 0.656,652 3.784,653 4.127,654 4.419,655 4.673,656 4.898,657 4.97,658 4.997,659 5.056,660 5.056,661 4.913,662 9.133,663 0.627,664 542.7,665 3.784,666 5.342,667 6.205,668 7.099,669 7.984,670 8.885,671 9.778,672 10.683,673 11.58,674 12.488,675 8.1,677 1,678 1,682 2,684 1,686 1,688 9,693 3,695 12,708 1,714 74,716 19,717 2,718 43,720 77,721 30,722 12,723 3,724 9,725 6,730 4,731 4,736 2,737 1,739 1,740 2,741 1,743 3,744 1,745 18,746 11,747 1,750 6,752 1,755 4,759 6,764 34,765 9,766 4,767 10,773 6,777 1,778 4,793 4,801 1,804 1,805 1,810 2,811 2,814 1,815 1,819 4,823 2,827 40,828 1,833 7,834 2,837 1,838 1,839 1,840 1,843 1,845 1,847 5.4,850 2,853 2,854 21.75,855 13.683,856 8.931,857 4.487,858 2.714,859 1.334,860 0.952,861 9.168,862 10.843,863 4.06,864 4.595,865 5.094,866 5.574,867 6.027,868 6.237,869 6.51,870 6.792,871 6.981,872 6.742,873 1,874 70,875 14.913,877 6.491,878 7.99,879 27.957,881 23.211,883 2.49,884 99.583,888 353.133,889 165.987,890 108.772,892 101.037,895 165.987,896 454.17,897 108.772,898 23.32,899 66.934,900 103.297,901 81.814,902 49.683,904 353.133,905 50.747,906 353.133,907 274.759,908 101.037,911 211.88,912 191.543,913 50.747,915 136.779,916 126.796,917 11.184,919 353.133,920 209.809,921 165.987,924 353.133,925 46.448,926 111.731,927 52.623,928 164.993,929 353.133,930 209.809,931 165.987,933 0.585,934 0.354,935 0.192,936 0.104,937 27,938 14,939 0.117,940 9,942 1,943 4.782,944 393.417,946 24,947 198.877,951 29.171,952 12.572,953 6.343,955 204.139,956 15.761,961 1.549,963 68.919,964 728.929,965 57,967 -0.499,970 48.125,974 0.739,975 74.29,976 83.64,977 0.252,978 0.599,979 0.745,980 0.831,981 0.862,982 0.866,983 5.333,984 2.042,985 6.225,986 5.616,987 4.812,988 5.283,989 3.531,990 7.109,991 4.781,992 6.553,993 1.705,994 7.84,995 5.581,996 4.575,997 5.156,998 2.555,999 8.404,1000 4.543,1001 7.884,1002 1.482,1003 9.573,1004 4.444,1005 6.503,1006 7.415,1007 5.033,1008 11.494,1009 6.45,1010 9.25,1011 1.352,1012 11.379,1013 3.713,1014 7.107,1015 8.09,1016 4.557,1017 13.662,1018 7.063,1019 10.651,1020 1.233,1021 13.236,1022 2.971,1023 8.549,1024 9.851,1025 6.806,1026 16.373,1027 8.491,1028 12.076,1029 1.051,1030 15.129,1031 2.802,1032 9.514,1033 10.878,1034 6.568,1035 18.837,1036 9.465,1037 13.521,1038 1,1039 17.049,1040 2.646,1041 10.797,1042 12.44,1043 8.642,1044 21.461,1045 10.74,1046 3.49,1047 1,1048 18.989,1049 2.372,1050 11.915,1051 13.635,1052 8.551,1053 24.022,1054 11.864,1055 3.348,1056 13.923,1057 20.945,1058 2.275,1059 13.149,1060 15.108,1061 10.498,1062 26.631,1063 13.095,1064 2.763,1065 12.406,1066 22.914,1067 4.11,1068 14.331,1069 16.389,1070 10.51,1071 29.225,1072 14.279,1073 2.676,1074 9.057,1075 24.892,1076 3.91,1077 15.556,1078 17.818,1079 12.365,1080 31.834,1081 15.502,1082 2.451,1083 8.257,1084 26.878,1085 3.903,1086 16.766,1087 19.146,1088 12.452,1089 34.441,1090 16.712,1091 2.373,1092 7.456,1093 28.87,1094 3.485,1095 17.992,1096 20.555,1097 14.237,1098 37.054,1099 17.936,1100 2.069,1101 6.942,1102 30.867,1103 3.208,1104 19.214,1105 21.909,1106 14.386,1107 39.668,1108 19.157,1109 25827,1110 43836,1111 27.739,1112 48.512,1113 66.244,1114 69.461,1115 68.625,1116 64.166,1117 64.162,1118 81.531,1119 20.889,1120 189.308,1121 63.147,1122 5.641,1123 6.415,1124 7.437,1125 5.528,1126 5.49,1127 7.11,1128 5.129,1129 21.468,1130 5.481,1131 24.805,1132 1.541,1133 1.615,1134 1.596,1135 1.492,1136 1.492,1137 1.896,1138 0.486,1139 4.403,1140 1.469,1141 4.068,1142 4.098,1143 4.023,1144 3.978,1145 7.815,1146 3.982,1147 3.989,1148 4.024,1149 3.923,1150 3.918,1151 7.438,1152 3.915,1153 3.871,1154 3.902,1155 3.836,1156 3.718,1157 7.428,1158 3.733,1159 3.765,1160 3.822,1161 3.656,1162 3.633,1163 6.999,1164 3.63,1165 3.615,1166 3.674,1167 3.522,1168 3.45,1169 6.817,1170 3.452,1171 3.473,1172 3.514,1173 3.429,1174 3.316,1175 4.896,1176 3.321,1177 3.459,1178 3.49,1179 3.369,1180 3.085,1181 4.753,1182 3.156,1183 3.287,1184 3.359,1185 3.194,1186 3.046,1187 4.708,1188 3.071,1189 0.108,1190 0.103,1191 0.178,1192 0.104,1193 0.081,1194 4.641,1195 0.096,1196 4.415,1197 0.061,1198 7.635,1199 0.324,1200 4.487,1201 0.081,1202 3.49,1203 4.11,1204 2.612,1205 13.923,1206 3.481,1207 1.997,1208 1.974,1209 2.108,1210 2.117,1211 1.438,1212 2.101,1213 1.978,1214 1.947,1215 2.082,1216 2.083,1217 1.309,1218 2.092,1219 1.796,1220 1.765,1221 1.953,1222 1.991,1223 1.196,1224 1.957,1225 1.753,1226 1.698,1227 1.904,1228 1.913,1229 1.016,1230 1.924,1231 1.589,1232 1.529,1233 1.824,1234 1.786,1235 0.999,1236 1.798,1237 1.429,1238 1.386,1239 1.673,1240 1.635,1241 0.825,1242 1.635,1243 1.24,1244 1.193,1245 1.513,1246 1.628,1247 0.774,1248 1.55,1249 1.199,1250 1.133,1251 1.479,1252 1.491,1253 0.627,1254 1.472,1255 4.466,1257 5.802,1259 7.347,1261 8.99,1263 10.687,1265 3.477,1269 5.717,1271 5.056,1272 6.075,1275 -0.751,1276 2.314,1277 -0.458,1278 9.925,1279 2.553,1280 46.363,1281 115.809,1282 275.447,1283 342.441,1284 381.725,1285 395.99,1286 397.99,1287 126.667,1288 8.13,1289 157.07,1290 157.07,1291 24,1292 13.007,1293 4.322,1294 3.907,1295 73.553,1296 219,1297 224,1298 0.159,1299 287.662,1300 523.16,1301 693.654,1302 44572,1304 28.863,1305 0.722,1306 0.569,1307 28.863,1308 22.775,1309 19.164,1310 0.446,1311 0.311,1312 13.209,1313 18.449,1314 12.855,1315 10.648,1316 19.164,1317 13.367,1318 17.341,1319 0.284,1320 0.17,1321 17.341,1322 10.359,1323 14.475,1324 0.177,1325 0.096,1326 14.475,1327 7.894,1328 12.181,1329 0.115,1330 0.054,1331 12.181,1332 5.724,1333 9.435,1334 0.071,1335 0.03,1336 9.435,1337 4.017,1338 0.256,1339 120.152,1340 0.19,1341 36.261,1342 0.417,1343 208,1344 619.855,1345 226.182,1346 604.309,1347 800.11,1348 556,1349 247,1350 574.948,1351 264.3,1352 580.935,1353 839.53,1354 544,1355 5.558} {0 CHEMBL347570,1 1.504,2 17.868,3 2.854,4 8.146,5 150.682,6 7.037,7 0.5,8 4.378,9 4.515,10 3.902,11 3.886,12 5.425,13 3.86,14 4.941,15 5.14,16 4.245,17 4.306,18 5.918,19 4.25,20 5.21,21 5.435,22 4.251,23 4.473,24 6.132,25 4.369,26 5.34,27 5.6,28 4.206,29 4.496,30 6.227,31 4.364,32 5.316,33 5.585,34 4.139,35 4.451,36 6.168,37 4.307,38 5.274,39 5.549,40 4.08,41 4.389,42 6.111,43 4.24,44 5.191,45 5.466,46 4.046,47 4.307,48 6.025,49 4.172,50 5.106,51 5.367,52 3.962,53 4.258,54 6.027,55 4.119,56 0.063,57 1.136,58 16.115,59 6.314,60 11.997,61 9.026,62 0.368,63 1.816,64 30.477,65 10.545,66 30.1,67 15.6,68 0.333,69 2.163,70 40.945,71 14.651,72 48.721,73 21.375,74 0.451,75 2.29,76 48.382,77 16.656,78 70.826,79 24.632,80 0.46,81 2.207,82 47.428,83 16.551,84 62.827,85 24.486,86 0.493,87 2.091,88 45.811,89 15.925,90 64.067,91 23.651,92 0.485,93 1.96,94 42.179,95 14.006,96 55.922,97 21.161,98 0.505,99 1.857,100 38.101,101 12.594,102 70.473,103 19.169,104 19,105 58,106 0.232,107 0.575,108 0.764,109 0.828,110 0.846,111 0.846,112 3.667,113 0.948,114 -4.9,115 -4.8,116 -4.51,119 39.7,120 1,121 4,122 1,124 1,125 4,140 7,141 3,142 2,149 1,150 1,156 2,158 2,164 1,169 11,171 3,172 9,174 1,176 6,178 10,182 10,186 5,189 7,193 13,197 2,199 8,202 1,203 10,206 1,211 11,215 5,218 3,222 11,225 1,226 5,229 2,233 7,236 3,237 8,242 3,244 3,249 4,254 3,256 4,259 3030,260 25.808,261 25.808,262 25.808,263 25.808,264 25.808,265 23.123,266 31.454,267 15.268,268 26.251,269 20.737,270 20.737,271 20.737,272 20.737,273 20.737,274 16.631,275 33.631,276 7.274,277 21.425,278 4.686,279 2.461,280 1.235,281 0.819,282 0.706,283 0.706,284 4.372,289 1,290 1490,291 4.301,294 221.101,295 417.776,298 190.868,302 2.889,303 28.192,306 0.75,307 0.67,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.73,314 81.5,315 679,316 4.568,317 3.68,318 6.566,319 4.099,320 3.118,321 4.518,322 1.907,323 10.431,324 3.062,325 4.256,326 3.532,327 6.342,328 3.949,329 2.963,330 3.798,331 1.2,332 9.443,333 2.92,334 4.129,335 3.196,336 6.095,337 3.69,338 2.753,339 3.731,340 0.8,341 8.884,342 2.584,343 3.871,344 2.898,345 5.538,346 3.628,347 2.662,348 3.193,349 0.293,350 7.509,351 2.572,352 3.657,353 2.866,354 5.435,355 3.508,356 2.541,357 2.813,358 0.149,359 7.214,360 2.456,361 3.446,362 2.576,363 5.215,364 3.209,365 2.249,366 2.692,368 6.559,369 2.146,370 3.418,371 2.436,372 5.125,373 3.027,374 2.039,375 2.596,377 5.999,378 2.015,379 3.257,380 2.184,381 4.866,382 2.973,383 1.974,384 2.575,386 5.298,387 1.953,388 3.228,389 1.946,390 4.514,391 2.731,392 1.776,393 2.304,395 4.655,396 1.692,397 2.967,398 1.815,399 4.4,400 2.69,401 1.712,402 2.025,404 4.456,405 1.662,406 2.741,407 1.793,408 4.134,409 2.312,410 1.327,411 1.846,413 3.481,414 1.306,415 2.5,416 1.364,417 3.554,418 2.093,419 1.126,420 1.5,422 2.548,423 1.086,424 2.429,425 1.155,426 3.441,427 2,428 1,429 1.402,431 2.275,432 1,433 2.282,434 1.077,435 3.414,436 1.984,437 1,438 1.208,440 2.275,441 0.983,442 2.191,443 1,444 3.414,445 1.868,446 0.899,447 1.005,449 2.11,450 0.868,451 17.967,452 0.473,453 0.886,454 0.023,455 46.75,456 1.23,457 21.5,458 0.566,459 25.25,460 0.664,461 36.586,462 0.963,463 41.433,464 0.568,465 36.289,466 0.955,467 9.063,468 0.239,469 9.394,470 0.247,471 0.093,473 0.317,479 0.737,480 1.461,481 0.831,482 1.173,483 0.522,484 1.034,485 0.813,486 1.056,487 0.922,488 0.959,489 0.505,490 0.943,491 0.999,492 1.112,493 1.074,494 1.126,495 0.88,496 1.112,497 1.006,498 1.013,499 1.016,500 1.039,501 1,502 1.035,503 0.857,504 0.964,505 0.979,506 1.039,507 0.904,508 1.032,509 0.798,510 0.961,511 0.937,512 1.015,513 0.923,514 1.006,515 0.832,516 0.959,517 0.921,518 0.955,519 0.836,520 0.954,521 0.761,522 1.028,523 1.1,524 1.101,525 0.536,526 1.129,527 7.5,528 0.157,529 4.222,530 2.007,531 1.748,532 1.222,533 0.829,534 0.371,535 0.356,536 0.241,537 28942,538 72828,539 2.113,540 47.9,541 2,542 18,543 1,544 2,545 2,546 3,547 7,550 1.779,551 2,552 4.084,553 0.149,559 109.799,560 1.504,561 3.729,562 4.954,563 5.371,564 5.484,565 5.484,566 3.527,567 4.807,568 5.219,569 4.314,570 3032.84,571 9.143,572 56067.1,577 451.857,578 1.324,579 5.189,580 0.179,581 0.005,582 0.073,583 0.036,584 0.034,585 0.025,586 0.018,587 0.008,588 0.009,589 0.007,590 0.394,591 0.17,592 0.75,593 0.756,594 218.775,595 0.026,596 -0.2,597 0.068,598 -0.073,599 0.022,600 -0.012,601 0.065,602 0.104,603 0.024,604 0.063,605 0.094,606 0.044,607 -0.115,608 -0.069,609 -0.12,610 -0.092,611 -0.016,612 -0.103,613 -0.083,614 -0.057,615 -0.039,616 -0.031,617 -0.019,618 -0.029,619 -0.003,620 -0.024,621 -0.004,622 -0.033,623 -0.02,624 -0.022,625 0.06,626 -0.041,627 0.042,628 -0.012,629 -0.015,630 0.005,631 0.049,632 -0.016,633 0.064,634 0.028,635 -0.006,636 0.042,637 0.072,638 -0.025,639 -0.129,640 -0.118,641 0.134,642 -0.14,643 1.788,644 5.869,645 0.684,646 53.249,647 0.996,648 1.133,649 3.665,650 13.435,651 0.652,652 3.761,653 4.078,654 4.331,655 4.564,656 4.727,657 4.812,658 4.963,659 5.056,660 5.063,661 5.1,662 10.396,663 0.616,664 513.71,665 3.761,666 5.303,667 6.146,668 7.013,669 7.87,670 8.74,671 9.603,672 10.475,673 11.342,674 12.216,675 9.6,678 1,682 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,703 1,714 73,716 23,717 2,718 42,720 77,721 29,722 16,723 5,724 7,725 1,730 5,731 6,736 1,740 2,741 1,743 4,745 18,746 11,747 1,750 2,755 2,759 2,764 35,765 7,766 2,767 9,773 7,777 0.8,778 2,788 1,792 2,793 3,796 1,805 1,815 1,819 4,823 2,827 38,833 8,834 1,837 1,838 2,844 1,847 2.7,850 2,854 19,855 13.5,856 8.306,857 4.507,858 3.681,859 1.431,860 0.991,861 8.331,862 12.222,863 4.016,864 4.585,865 5.143,866 5.706,867 6.145,868 6.497,869 6.924,870 7.297,871 7.425,872 7.633,873 0.917,874 56,875 14.067,877 5.936,878 7.649,879 27.377,881 22.755,883 2.149,884 81.667,888 388.446,889 154.412,890 76.27,892 50.29,895 154.412,896 438.736,897 76.27,898 17.222,899 39.696,900 75.381,901 133.805,902 36.267,903 13.915,904 353.133,906 388.446,907 230.682,908 50.29,911 306.049,912 132.688,915 87.567,916 109.789,917 33.326,919 388.446,920 126.56,921 154.412,924 388.446,925 44.572,926 117.988,927 34.796,928 83.616,929 388.446,930 126.56,931 154.412,933 0.581,934 0.332,935 0.175,936 0.089,937 27,938 12,939 0.117,940 9,941 1,942 1.077,943 5.075,944 351.626,945 0.077,946 26,947 187.421,951 26.302,952 12.036,953 6.589,954 2.41,955 107.875,956 19.048,957 7.826,958 3.401,961 3.751,962 1.926,963 34.796,964 669.418,965 54.5,970 24.066,974 -0.1,975 72.738,976 82.72,977 0.243,978 0.602,979 0.8,980 0.868,981 0.886,982 0.886,983 5.254,984 1.974,985 6.12,986 5.999,987 4.762,988 5.273,989 2.388,990 6.899,991 4.702,992 6.439,993 1.776,994 7.66,995 5.298,996 4.29,997 5.017,998 1.738,999 7.724,1000 4.209,1001 7.73,1002 1.712,1003 9.296,1004 4.655,1005 6.33,1006 7.428,1007 3.102,1008 10.797,1009 6.211,1010 9.056,1011 1.327,1012 10.989,1013 4.456,1014 6.686,1015 8.062,1016 3.09,1017 12.46,1018 6.546,1019 10.416,1020 1.126,1021 12.721,1022 3.481,1023 8.166,1024 9.92,1025 4.121,1026 15.034,1027 7.997,1028 11.799,1029 1,1030 14.479,1031 2.548,1032 8.903,1033 10.982,1034 4.432,1035 17.052,1036 8.715,1037 13.202,1038 1,1039 16.256,1040 2.275,1041 10.156,1042 12.618,1043 5.284,1044 19.453,1045 9.945,1046 3.118,1047 0.899,1048 18.048,1049 2.275,1050 11.079,1051 13.897,1052 5.759,1053 21.63,1054 10.851,1055 2.963,1056 10.431,1057 19.852,1058 2.11,1059 12.238,1060 15.441,1061 6.514,1062 23.971,1063 11.991,1064 2.753,1065 9.443,1066 21.665,1067 4.518,1068 13.252,1069 16.828,1070 7.072,1071 26.222,1072 12.99,1073 2.662,1074 8.884,1075 23.486,1076 3.798,1077 14.373,1078 18.337,1079 7.776,1080 28.543,1081 14.094,1082 2.541,1083 7.509,1084 25.314,1085 3.731,1086 15.432,1087 19.778,1088 8.376,1089 30.83,1090 15.14,1091 2.249,1092 7.214,1093 27.147,1094 3.193,1095 16.541,1096 21.275,1097 9.053,1098 33.148,1099 16.233,1100 2.039,1101 6.559,1102 28.985,1103 2.813,1104 17.625,1105 22.745,1106 9.674,1107 35.453,1108 17.303,1109 26906,1110 42854,1111 28.433,1112 47.608,1113 63.354,1114 64.014,1115 63.646,1116 62.444,1117 62.487,1118 80.13,1119 8.698,1120 176.28,1121 60.654,1122 5.568,1123 5.68,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 3.306,1129 17.164,1130 5.062,1131 17.708,1132 1.508,1133 1.524,1134 1.515,1135 1.487,1136 1.488,1137 1.908,1138 0.207,1139 4.197,1140 1.444,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 7.431,1146 4.071,1147 3.969,1148 4.008,1149 3.909,1150 3.874,1151 7.426,1152 3.877,1153 3.873,1154 3.929,1155 3.79,1156 3.74,1157 5.135,1158 3.735,1159 3.825,1160 3.899,1161 3.754,1162 3.589,1163 4.927,1164 3.625,1165 3.614,1166 3.679,1167 3.521,1168 3.417,1169 4.723,1170 3.425,1171 3.528,1172 3.581,1173 3.404,1174 3.326,1175 4.364,1176 3.347,1177 3.434,1178 3.501,1179 3.31,1180 3.226,1181 4.256,1182 3.239,1183 3.278,1184 3.345,1185 3.167,1186 3.109,1187 4.114,1188 3.114,1189 0.109,1190 0.088,1191 0.156,1192 0.098,1193 0.074,1194 4.568,1195 0.108,1196 3.68,1197 0.045,1198 6.566,1199 0.248,1200 4.099,1201 0.073,1202 3.118,1203 4.518,1204 1.907,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.088,1210 2.069,1211 1.47,1212 2.078,1213 1.922,1214 1.894,1215 2.037,1216 2.047,1217 1.287,1218 2.045,1219 1.861,1220 1.805,1221 2.006,1222 2.005,1223 1.129,1224 2.008,1225 1.675,1226 1.619,1227 1.885,1228 1.847,1229 1.099,1230 1.863,1231 1.495,1232 1.437,1233 1.724,1234 1.755,1235 0.894,1236 1.744,1237 1.427,1238 1.361,1239 1.685,1240 1.676,1241 0.825,1242 1.674,1243 1.392,1244 1.323,1245 1.584,1246 1.641,1247 0.729,1248 1.631,1249 1.3,1250 1.232,1251 1.513,1252 1.51,1253 0.71,1254 1.52,1255 4.443,1257 5.759,1258 3.045,1259 7.252,1260 5.283,1261 8.825,1262 7.286,1263 10.443,1265 3.353,1271 8.353,1272 2.732,1275 0.517,1276 4.384,1280 44.955,1281 109.799,1282 272.19,1283 361.676,1284 392.083,1285 400.347,1286 400.347,1287 66.577,1288 8.541,1289 99.15,1290 99.15,1291 28,1292 12.758,1293 4.585,1294 3.755,1295 59.741,1296 243,1297 226,1298 0.117,1299 275.333,1300 470.4,1301 663.571,1302 82188,1304 26.485,1305 0.697,1306 0.581,1307 26.485,1308 22.06,1309 18.458,1310 0.439,1311 0.316,1312 13.083,1313 17.729,1314 12.741,1315 10.583,1316 18.458,1317 13.265,1318 16.679,1319 0.288,1320 0.177,1321 16.679,1322 10.246,1323 13.865,1324 0.185,1325 0.099,1326 13.865,1327 7.426,1328 11.341,1329 0.119,1330 0.056,1331 11.341,1332 5.344,1333 8.587,1334 0.077,1335 0.033,1336 8.587,1337 3.719,1338 0.195,1339 115.609,1340 0.188,1341 35.736,1342 0.292,1343 200,1344 536.362,1345 217.667,1346 523.428,1347 717.4,1348 490,1349 233,1350 532.354,1351 251.448,1352 541.372,1353 780.88,1354 507,1355 7.77} {0 CHEMBL347665,1 1.406,2 15.531,3 3.541,4 12.536,5 129.289,6 7.213,7 0.583,8 4.177,9 4.313,10 3.737,11 3.72,12 5.235,13 3.695,14 4.731,15 4.929,16 4.059,17 4.14,18 5.653,19 4.085,20 4.987,21 5.218,22 4.036,23 4.302,24 5.83,25 4.185,26 5.102,27 5.37,28 3.942,29 4.3,30 5.894,31 4.144,32 5.076,33 5.372,34 3.859,35 4.201,36 5.802,37 4.042,38 4.936,39 5.206,40 3.83,41 4.122,42 5.692,43 3.982,44 4.911,45 5.189,46 3.789,47 4.062,48 5.707,49 3.921,50 4.815,51 5.091,52 3.642,53 3.973,54 5.6,55 3.827,56 0.066,57 0.946,58 12.49,59 4.974,60 13.312,61 7.032,62 0.255,63 1.535,64 23.804,65 8.217,66 17.747,67 11.979,68 0.25,69 1.818,70 31.838,71 12.042,72 27.101,73 17.501,74 0.244,75 1.908,76 37.294,77 13.931,78 38.709,79 20.607,80 0.324,81 1.8,82 37.742,83 13.197,84 37.727,85 19.885,86 0.253,87 1.629,88 31.764,89 11.332,90 27.258,91 16.915,92 0.316,93 1.584,94 31.367,95 10.807,96 34.406,97 16.228,98 0.277,99 1.437,100 28.411,101 9.576,102 28.321,103 14.425,104 3,105 49,106 0.225,107 0.572,108 0.734,109 0.807,110 0.829,111 0.829,112 3.501,113 0.931,114 -4.58,115 -4.5,116 -4.23,119 42.4,121 2,125 6,140 7,141 4,142 1,149 1,150 1,156 1,158 2,164 1,169 11,171 2,172 5,176 3,178 11,181 1,182 7,186 3,189 8,193 10,197 1,199 3,203 10,206 1,211 2,215 7,218 1,222 1,225 1,226 6,229 2,233 1,236 1,237 5,244 3,249 1,252 1,256 5,259 1836,260 22.403,261 22.403,262 22.403,263 22.403,264 22.403,265 19.899,266 27.523,267 13.337,268 22.863,269 17.746,270 17.746,271 17.746,272 17.746,273 17.746,274 13.924,275 30.943,276 6.298,277 18.496,278 4.477,279 2.313,280 1.303,281 0.847,282 0.712,283 0.712,284 4.215,288 1,289 1,290 1110,291 3.082,294 172.557,295 326.57,298 147.162,302 2.465,303 14.93,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 497,316 4.568,317 4.057,318 6.566,319 4.099,320 3.118,321 4.518,322 2.035,323 10.431,324 3.062,325 4.129,326 3.197,327 6.095,328 3.715,329 2.757,330 3.731,331 0.916,332 8.884,333 2.673,334 4.11,335 3.063,336 5.639,337 3.689,338 2.747,339 3.693,340 0.8,341 7.846,342 2.578,343 3.753,344 2.884,345 5.403,346 3.524,347 2.569,348 2.932,349 0.172,350 7.122,351 2.43,352 3.557,353 2.77,354 5.22,355 3.244,356 2.289,357 2.813,359 6.608,360 2.191,361 3.427,362 2.475,363 5.126,364 3.024,365 2.043,366 2.605,368 6.005,369 2.001,370 3.25,371 2.192,372 4.88,373 2.883,374 1.932,375 2.577,377 5.63,378 1.826,379 3.142,380 2.135,381 4.514,382 2.729,383 1.775,384 2.12,386 4.655,387 1.689,388 2.906,389 1.795,390 4.133,391 2.311,392 1.327,393 1.846,395 3.481,396 1.305,397 2.741,398 1.368,399 3.474,400 2.088,401 1.124,402 1.5,404 2.537,405 1.081,406 2.5,407 1.163,408 3.414,409 2,410 1,411 1.402,413 2.275,414 1,415 2.427,416 1.146,417 3.414,418 1.967,419 1,420 1.204,422 2.275,423 0.965,424 2.256,425 1,426 3.318,427 1.861,428 0.896,429 1.076,431 2.099,432 0.863,433 2.118,434 0.936,435 3.182,436 1.587,437 0.63,438 1,440 1.481,441 0.601,442 2,443 0.694,444 3.017,445 1.533,446 0.618,447 0.927,449 1.372,450 0.556,451 15.3,452 0.478,453 0.564,454 0.018,455 42.5,456 1.328,457 21,458 0.656,459 21.5,460 0.672,461 26.455,462 0.827,463 33.3,464 0.564,465 29.195,466 0.912,467 8.285,468 0.259,469 7.495,470 0.234,471 0.026,473 0.275,479 0.851,480 1.389,481 0.801,482 1.106,483 0.436,484 0.975,485 1.264,486 0.988,487 0.999,488 0.898,489 0.498,490 0.914,491 0.915,492 1.025,493 1.081,494 1.109,495 0.519,496 1.114,497 0.755,498 1.064,499 1.017,500 1.136,501 0.714,502 1.112,503 0.793,504 0.878,505 0.889,506 0.917,507 0.674,508 0.915,509 0.83,510 1.025,511 0.967,512 1.048,513 0.495,514 1.028,515 0.84,516 0.963,517 0.96,518 1.004,519 0.739,520 0.998,521 1.075,522 0.957,523 1.088,524 1.021,525 0.852,526 1.05,527 5.5,528 0.124,529 3.111,530 1.132,531 1.228,532 0.715,533 0.565,534 0.305,535 0.151,536 0.169,537 18220,538 44668,539 2.194,540 45.8,541 2,542 19,543 1,544 2,545 1,547 2,550 1.736,551 2.133,552 3.884,553 -0.372,559 82.946,560 1.406,561 3.569,562 4.58,563 5.035,564 5.171,565 5.171,566 3.371,567 4.375,568 4.971,569 4.084,570 2025.71,571 8.646,572 32147.3,574 1,577 347.076,578 1.043,579 4.964,580 0.153,581 0.005,582 0.063,583 0.025,584 0.031,585 0.019,586 0.016,587 0.009,588 0.005,589 0.007,590 0.332,591 0.17,592 0.88,593 0.469,594 173.713,595 0.101,596 -0.201,597 0.082,598 -0.08,599 0.178,600 -0.015,601 -0.123,602 0.14,603 -0.055,604 0.076,605 0.014,606 0.028,607 -0.084,608 -0.02,609 -0.136,610 -0.09,611 0.051,612 -0.114,613 -0.004,614 -0.144,615 -0.045,616 -0.114,617 0.039,618 -0.089,619 0.053,620 0.011,621 0.117,622 0.081,623 0.033,624 0.102,625 0.032,626 -0.092,627 0.018,628 -0.047,629 0.032,630 -0.022,631 0.111,632 -0.028,633 0.04,634 -0.023,635 0.027,636 -0.004,637 -0.089,638 -0.007,639 -0.09,640 -0.045,641 -0.109,642 -0.064,643 0.941,644 2.94,645 0.813,646 39.945,647 0.992,648 1.129,649 3.346,650 11.195,651 0.672,652 3.611,653 3.912,654 4.19,655 4.431,656 4.615,657 4.691,658 4.828,659 4.949,660 4.984,661 5.05,662 8.913,663 0.634,664 425.59,665 3.611,666 5.142,667 5.989,668 6.851,669 7.711,670 8.578,671 9.444,672 10.313,673 11.183,674 12.055,675 11.9,678 2,683 2,684 1,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,697 1,714 59,716 22,717 2,718 36,720 63,721 25,722 16,723 5,724 7,730 5,731 6,743 2,744 1,745 16,746 8,764 27,765 5,766 1,767 7,773 7,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,827 32,833 8,838 2,840 1,843 1,844 1,845 1,854 15,855 10.533,856 7.083,857 3.673,858 3.833,859 1.465,860 1.021,861 6.203,862 12.081,863 3.902,864 4.466,865 5.077,866 5.651,867 6.1,868 6.458,869 6.872,870 7.251,871 7.43,872 7.647,873 1,874 46,875 11.779,877 4.95,878 7.531,879 23.2,881 19.408,883 2.031,884 65,887 1,888 306.049,889 143.954,890 89.319,895 143.954,896 306.049,897 89.319,899 17.703,900 75.381,901 90.707,902 70.879,903 13.915,904 270.735,906 306.049,907 233.273,911 282.506,912 23.542,915 90.933,916 109.013,917 33.326,919 306.049,920 89.319,921 143.954,924 306.049,925 34.734,926 100.766,927 33.387,928 64.385,929 306.049,930 89.319,931 143.954,933 0.573,934 0.337,935 0.179,936 0.092,937 24,938 9,939 0.111,940 7,941 1,942 1.077,943 4.647,944 282.27,945 0.077,946 26,947 148,951 20.755,952 9.564,953 4.88,954 2.455,955 70.634,956 19.995,957 7.82,958 3.407,961 4.461,962 1.938,963 16.786,964 539.321,965 48.5,975 58.549,976 66.64,977 0.239,978 0.607,979 0.779,980 0.856,981 0.879,982 0.879,983 5.131,984 1.775,985 5.943,986 5.63,987 4.595,988 5.153,989 2.463,990 6.708,991 4.518,992 6.317,993 1.327,994 7.467,995 4.655,996 4.007,997 4.796,998 0.57,999 7.496,1000 3.89,1001 7.604,1002 1.124,1003 9.087,1004 3.481,1005 6.146,1006 7.337,1007 3.603,1008 10.568,1009 5.998,1010 8.927,1011 1,1012 10.765,1013 2.537,1014 6.431,1015 7.931,1016 0.581,1017 12.22,1018 6.247,1019 10.285,1020 1,1021 12.483,1022 2.275,1023 7.96,1024 9.848,1025 4.969,1026 14.78,1027 7.751,1028 11.667,1029 0.896,1030 14.227,1031 2.275,1032 8.653,1033 10.896,1034 0.515,1035 16.803,1036 8.416,1037 13.07,1038 0.63,1039 15.992,1040 2.099,1041 9.93,1042 12.56,1043 6.379,1044 19.197,1045 9.671,1046 3.118,1047 0.618,1048 17.773,1049 1.481,1050 10.827,1051 13.836,1052 0.441,1053 21.387,1054 10.547,1055 2.757,1056 10.431,1057 19.567,1058 1.372,1059 11.996,1060 15.393,1061 7.797,1062 23.729,1063 11.697,1064 2.747,1065 8.884,1066 21.372,1067 4.518,1068 12.996,1069 16.782,1070 0.373,1071 25.995,1072 12.682,1073 2.569,1074 7.846,1075 23.185,1076 3.731,1077 14.122,1078 18.299,1079 9.217,1080 28.324,1081 13.792,1082 2.289,1083 7.122,1084 25.007,1085 3.693,1086 15.176,1087 19.743,1088 0.314,1089 30.626,1090 14.832,1091 2.043,1092 6.608,1093 26.836,1094 2.932,1095 16.288,1096 21.245,1097 10.638,1098 32.954,1099 15.93,1100 1.932,1101 6.005,1102 28.67,1103 2.813,1104 17.371,1105 22.718,1106 0.264,1107 35.273,1108 17,1109 16672,1110 26265,1111 25.137,1112 39.654,1113 54.767,1114 55.723,1115 53.683,1116 53.155,1117 53.172,1118 69.96,1119 7.847,1120 148.301,1121 51.093,1122 5.568,1123 6.057,1124 6.162,1125 5.166,1126 5.118,1127 7.518,1128 4.069,1129 17.095,1130 5.062,1131 8.307,1132 1.521,1133 1.548,1134 1.491,1135 1.477,1136 1.477,1137 1.943,1138 0.218,1139 4.119,1140 1.419,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 6.82,1146 4.07,1147 3.96,1148 4.004,1149 3.894,1150 3.886,1151 5.135,1152 3.883,1153 3.835,1154 3.908,1155 3.789,1156 3.641,1157 4.927,1158 3.653,1159 3.8,1160 3.865,1161 3.7,1162 3.574,1163 4.697,1164 3.61,1165 3.525,1166 3.596,1167 3.388,1168 3.369,1169 4.36,1170 3.367,1171 3.315,1172 3.378,1173 3.237,1174 3.163,1175 4.255,1176 3.174,1177 3.233,1178 3.3,1179 3.135,1180 3.075,1181 3.981,1182 3.079,1183 3.111,1184 3.206,1185 2.896,1186 2.941,1187 3.777,1188 2.91,1189 0.127,1190 0.113,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 4.057,1197 0.057,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 2.035,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.067,1210 2.067,1211 1.368,1212 2.07,1213 1.935,1214 1.906,1215 2.039,1216 2.046,1217 1.259,1218 2.044,1219 1.785,1220 1.719,1221 1.97,1222 1.957,1223 1.142,1224 1.966,1225 1.64,1226 1.581,1227 1.847,1228 1.817,1229 1.078,1230 1.83,1231 1.407,1232 1.335,1233 1.585,1234 1.665,1235 0.825,1236 1.643,1237 1.332,1238 1.27,1239 1.513,1240 1.537,1241 0.744,1242 1.535,1243 1.208,1244 1.151,1245 1.492,1246 1.442,1247 0.622,1248 1.429,1249 1.153,1250 1.064,1251 1.422,1252 1.395,1253 0.577,1254 1.407,1255 4.29,1257 5.595,1258 3.045,1259 7.086,1260 5.283,1261 8.66,1262 7.286,1263 10.278,1271 8.72,1276 5.08,1278 8.94,1279 2.184,1280 37.418,1281 82.946,1282 210.596,1283 270.205,1284 297.076,1285 305.076,1286 305.076,1287 39.647,1288 8.248,1289 76.77,1290 76.77,1291 28,1292 12.597,1293 4.524,1294 3.755,1295 46.216,1296 175,1297 180,1298 0.126,1299 228.971,1300 383.62,1301 550.449,1302 54916,1304 21.753,1305 0.68,1306 0.566,1307 21.753,1308 18.114,1309 15.78,1310 0.438,1311 0.31,1312 11.027,1313 15.222,1314 10.807,1315 8.923,1316 15.78,1317 11.171,1318 13.727,1319 0.28,1320 0.172,1321 13.727,1322 8.443,1323 12.033,1324 0.185,1325 0.098,1326 12.033,1327 6.342,1328 9.867,1329 0.119,1330 0.054,1331 9.867,1332 4.475,1333 7.661,1334 0.077,1335 0.032,1336 7.661,1337 3.162,1338 0.209,1339 98.289,1340 0.199,1341 30.941,1342 0.319,1343 170,1344 424.204,1345 181.879,1346 424.982,1347 591.74,1348 400,1349 199,1350 444.885,1351 212.849,1352 456.264,1353 656.94,1354 428,1355 8.959} {0 CHEMBL348304,1 1.446,2 13.233,3 3.607,4 13.01,5 121.154,6 7.045,7 0.618,8 4.146,9 4.276,10 3.688,11 3.681,12 5.154,13 3.654,14 4.708,15 4.891,16 4.01,17 4.099,18 5.62,19 4.042,20 4.942,21 5.174,22 3.948,23 4.212,24 5.742,25 4.093,26 5.015,27 5.267,28 3.886,29 4.182,30 5.783,31 4.044,32 5.011,33 5.294,34 3.813,35 4.1,36 5.736,37 3.962,38 4.856,39 5.109,40 3.851,41 4.086,42 5.612,43 3.971,44 4.903,45 5.15,46 3.889,47 4.132,48 5.704,49 4.008,50 4.954,51 5.228,52 3.704,53 4.083,54 5.701,55 3.923,56 0.066,57 0.876,58 12.632,59 5.128,60 10.504,61 7.114,62 0.264,63 1.428,64 23.922,65 8.599,66 21.204,67 12.101,68 0.284,69 1.654,70 31.244,71 11.66,72 25.258,73 16.805,74 0.256,75 1.674,76 34.517,77 12.825,78 29.925,79 18.38,80 0.43,81 1.624,82 35.793,83 12.112,84 35.205,85 17.659,86 0.238,87 1.505,88 29.196,89 10.466,90 22.767,91 15.373,92 0.277,93 1.617,94 30.267,95 10.988,96 25.939,97 16.147,98 0.343,99 1.585,100 32.938,101 11.38,102 32.199,103 16.944,105 46,106 0.235,107 0.575,108 0.78,109 0.859,110 0.867,111 0.867,112 3.44,113 0.942,114 -4.93,115 -4.84,116 -4.54,119 42.1,121 3,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 3,178 10,181 1,182 6,186 3,189 7,193 9,199 4,203 9,206 2,211 4,215 6,222 5,225 1,226 6,229 2,231 2,233 7,237 2,240 1,244 8,248 2,249 3,256 8,259 1554,260 21.137,261 21.137,262 21.137,263 21.137,264 21.137,265 18.698,266 22.507,267 12.78,268 21.59,269 16.84,270 16.84,271 16.84,272 16.84,273 16.84,274 13.258,275 24.021,276 6.091,277 17.573,278 4.387,279 2.292,280 1.031,281 0.54,282 0.491,283 0.491,284 4.155,288 1,289 1,290 892,291 3,294 232.513,295 182.724,298 122.843,302 2.116,303 13.764,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 397,316 4.569,317 3.217,318 6.566,319 4.101,320 3.12,321 4.518,322 1.151,323 10.434,324 3.063,325 4.129,326 3.127,327 6.15,328 3.807,329 2.868,330 3.732,331 0.8,332 9.073,333 2.693,334 3.906,335 2.88,336 6.094,337 3.684,338 2.747,339 3.444,341 8.879,342 2.572,343 3.856,344 2.819,345 5.34,346 3.505,347 2.517,348 2.888,350 6.964,351 2.488,352 3.422,353 2.203,354 5.131,355 3.015,356 2.035,357 2.785,359 6.012,360 1.991,361 3.247,362 2.069,363 4.516,364 2.733,365 1.779,366 2.587,368 4.655,369 1.692,370 2.948,371 1.794,372 4.397,373 2.597,374 1.665,375 2.112,377 4.312,378 1.551,379 2.752,380 1.607,381 4.113,382 2.455,383 1.474,384 1.853,386 3.417,387 1.442,388 2.613,389 1.402,390 3.673,391 2.269,392 1.294,393 1.623,395 3.193,396 1.257,397 2.5,398 1.276,399 3.501,400 2.172,401 1.203,402 1.5,404 2.679,405 1.163,406 2.406,407 1.142,408 3.349,409 2,410 1,411 1.372,413 2.169,414 1,415 2.281,416 1,417 3.247,418 1.9,419 0.939,420 1.255,422 2.136,423 0.9,424 2.118,425 0.992,426 3.23,427 1.782,428 0.879,429 0.947,431 1.975,432 0.785,433 2.089,434 0.759,435 3.223,436 1.662,437 0.704,438 0.927,440 1.698,441 0.673,442 1.951,443 0.618,444 3.013,445 1.518,446 0.618,447 0.926,449 1.372,450 0.556,451 14.333,452 0.478,453 0.479,454 0.016,455 38,456 1.267,457 18,458 0.6,459 20,460 0.667,461 25.399,462 0.847,463 31.867,464 0.559,465 25.567,466 0.852,467 7.469,468 0.249,469 7.396,470 0.247,473 0.265,479 0.861,480 1.345,481 0.819,482 1.121,483 0.694,484 0.99,485 1.368,486 1.052,487 1.042,488 0.973,489 1.046,490 0.974,491 0.946,492 1.034,493 1.073,494 1.103,495 0.775,496 1.101,497 1.072,498 1.115,499 1.02,500 1.15,501 0.93,502 1.102,503 1.274,504 0.814,505 0.928,506 0.822,507 1.095,508 0.847,509 0.957,510 1.027,511 0.924,512 0.953,513 0.829,514 0.939,515 0.739,516 1.088,517 1.018,518 1.118,519 0.8,520 1.099,521 0.956,522 0.961,523 1.093,524 1.042,525 1.096,526 1.071,527 4,528 0.098,529 3.111,530 1.139,531 0.784,532 0.67,533 0.487,534 0.211,535 0.15,536 0.14,537 14393,538 32389,539 2.228,540 47.4,542 17,543 1,544 2,545 1,547 6,550 1.725,551 2.195,552 3.668,553 -0.382,555 1,559 82.444,560 1.446,561 3.541,562 4.802,563 5.293,564 5.342,565 5.342,566 3.14,567 4.44,568 4.877,569 3.871,570 1683.97,571 8.488,572 24547.5,574 1,577 332.475,578 0.837,579 4.881,580 0.118,581 0.004,582 0.068,583 0.028,584 0.021,585 0.019,586 0.013,587 0.006,588 0.005,589 0.005,590 0.286,591 0.33,592 0.88,594 157.241,595 0.084,596 -0.151,597 0.089,598 -0.07,599 0.179,600 -0.004,601 -0.119,602 0.068,603 -0.078,604 0.024,605 -0.066,606 -0.018,607 -0.025,608 -0.028,609 -0.113,610 -0.095,611 0.037,612 -0.108,613 -0.024,614 -0.19,615 -0.037,616 -0.142,617 0.032,618 -0.1,619 -0.037,620 0.089,621 0.096,622 0.143,623 -0.019,624 0.131,625 -0.052,626 -0.049,627 0.05,628 0.041,629 0.011,630 0.053,631 0.076,632 -0.076,633 -0.055,634 -0.132,635 0.02,636 -0.114,637 -0.033,638 -0.008,639 -0.105,640 -0.072,641 -0.137,642 -0.089,643 0.813,644 2.536,645 0.833,646 33.427,647 0.992,648 1.128,649 3.703,650 13.715,651 0.664,652 3.555,653 3.85,654 4.143,655 4.394,656 4.5,657 4.605,658 4.771,659 4.927,660 4.997,661 5.056,662 7.781,663 0.625,664 401.56,665 3.555,666 5.081,667 5.932,668 6.795,669 7.658,670 8.527,671 9.396,672 10.269,673 11.143,674 12.02,675 8.8,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 57,716 21,717 2,718 34,720 61,721 24,722 16,723 4,724 8,730 5,731 6,740 3,743 4,745 16,746 8,761 1,764 27,765 4,766 1,767 6,773 5,777 0.8,778 1,788 1,789 1,792 3,793 2,796 1,815 1,818 1,819 4,827 30,833 7,835 1,837 1,838 1,844 1,847 1.8,851 1,854 13.667,855 9.967,856 6.611,857 3.533,858 3.584,859 1.443,860 1.017,861 5.822,862 11.669,863 3.818,864 4.394,865 4.996,866 5.577,867 5.994,868 6.33,869 6.788,870 7.224,871 7.433,872 7.674,873 0.889,874 41,875 11.08,877 4.673,878 7.439,879 21.969,881 18.488,883 1.939,884 58.167,887 1,888 306.049,889 136.939,890 55.135,892 11,895 136.939,896 317.049,897 55.135,899 21,900 84.857,901 85.105,902 33.51,903 13.915,904 270.735,906 306.049,907 192.074,908 11,911 235.422,912 70.627,913 11,915 60.046,916 98.702,917 33.326,919 306.049,920 66.135,921 136.939,924 306.049,925 34.845,926 107.118,927 16.786,928 44.326,929 306.049,930 66.135,931 136.939,933 0.571,934 0.337,935 0.184,936 0.086,937 23,938 8,939 0.131,940 8,941 1,942 1.08,943 4.452,944 263.655,945 0.08,946 25,947 139.207,951 19.347,952 9.028,953 4.453,954 2.447,955 47.45,956 22.475,957 7.832,958 3.416,961 3.683,962 1.941,963 16.786,964 509.123,965 44.5,975 56.556,976 64.268,977 0.248,978 0.607,979 0.823,980 0.907,981 0.916,982 0.916,983 5.032,984 1.474,985 5.878,986 4.312,987 4.533,988 5.081,989 1.528,990 6.65,991 4.453,992 6.2,993 1.294,994 7.403,995 3.417,996 3.892,997 4.677,998 0.325,999 7.466,1000 3.783,1001 7.48,1002 1.203,1003 9.032,1004 3.193,1005 6.08,1006 7.254,1007 1.603,1008 10.57,1009 5.927,1010 8.802,1011 1,1012 10.726,1013 2.679,1014 6.382,1015 7.834,1016 0.268,1017 12.287,1018 6.194,1019 10.162,1020 0.939,1021 12.464,1022 2.169,1023 7.922,1024 9.769,1025 1.778,1026 14.854,1027 7.702,1028 11.55,1029 0.879,1030 14.232,1031 2.136,1032 8.65,1033 10.816,1034 0.188,1035 16.916,1036 8.396,1037 12.958,1038 0.704,1039 16.02,1040 1.975,1041 9.93,1042 12.491,1043 1.991,1044 19.311,1045 9.65,1046 3.12,1047 0.618,1048 17.823,1049 1.698,1050 10.858,1051 13.77,1052 0.125,1053 21.515,1054 10.548,1055 2.868,1056 10.434,1057 19.637,1058 1.372,1059 12.03,1060 15.337,1061 2.225,1062 23.853,1063 11.697,1064 2.747,1065 9.073,1066 21.46,1067 4.518,1068 13.051,1069 16.731,1070 0.082,1071 26.119,1072 12.693,1073 2.517,1074 8.879,1075 23.289,1076 3.732,1077 14.181,1078 18.254,1079 2.473,1080 28.441,1081 13.803,1082 2.035,1083 6.964,1084 25.123,1085 3.444,1086 15.247,1087 19.704,1088 0.054,1089 30.736,1090 14.849,1091 1.779,1092 6.012,1093 26.962,1094 2.888,1095 16.362,1096 21.212,1097 2.73,1098 33.057,1099 15.947,1100 1.665,1101 4.655,1102 28.805,1103 2.785,1104 17.452,1105 22.689,1106 0.035,1107 35.368,1108 17.019,1109 13099,1110 19816,1111 24.038,1112 37.858,1113 50.735,1114 50.638,1115 50.498,1116 50.343,1117 50.366,1118 65.736,1119 3.902,1120 139.602,1121 48.309,1122 5.531,1123 5.217,1124 6.368,1125 5.166,1126 5.12,1127 7.518,1128 2.302,1129 17.112,1130 5.063,1132 1.492,1133 1.489,1134 1.485,1135 1.481,1136 1.481,1137 1.933,1138 0.115,1139 4.106,1140 1.421,1141 4.154,1142 4.193,1143 4.114,1144 4.061,1145 5.135,1146 4.07,1147 3.929,1148 3.972,1149 3.845,1150 3.849,1151 4.928,1152 3.843,1153 3.864,1154 3.919,1155 3.794,1156 3.717,1157 4.789,1158 3.718,1159 3.816,1160 3.887,1161 3.74,1162 3.575,1163 4.521,1164 3.616,1165 3.424,1166 3.485,1167 3.301,1168 3.286,1169 4.278,1170 3.284,1171 3.333,1172 3.382,1173 3.188,1174 3.112,1175 4.221,1176 3.12,1177 3.203,1178 3.286,1179 3.058,1180 3.002,1181 3.848,1182 3.006,1183 3.011,1184 3.092,1185 2.817,1186 2.873,1187 3.674,1188 2.85,1189 0.134,1190 0.095,1191 0.193,1192 0.121,1193 0.092,1194 4.569,1195 0.133,1196 3.217,1197 0.034,1198 6.566,1199 0.307,1200 4.101,1201 0.09,1202 3.12,1203 4.518,1204 1.151,1205 10.434,1206 3.063,1207 1.959,1208 1.935,1209 2.04,1210 2.052,1211 1.289,1212 2.049,1213 1.905,1214 1.877,1215 2.034,1216 1.998,1217 1.245,1218 2.011,1219 1.698,1220 1.639,1221 1.891,1222 1.893,1223 1.14,1224 1.897,1225 1.615,1226 1.556,1227 1.869,1228 1.788,1229 1.121,1230 1.818,1231 1.473,1232 1.406,1233 1.685,1234 1.704,1235 0.941,1236 1.698,1237 1.386,1238 1.32,1239 1.528,1240 1.616,1241 0.626,1242 1.602,1243 1.203,1244 1.146,1245 1.456,1246 1.452,1247 0.585,1248 1.456,1249 1.078,1250 0.983,1251 1.362,1252 1.442,1253 0.521,1254 1.379,1255 4.234,1257 5.533,1258 3.434,1259 7.015,1260 5.687,1261 8.58,1262 7.678,1263 10.192,1271 7.225,1273 6.036,1275 0.52,1276 2.591,1280 35.617,1281 82.444,1282 201.818,1283 273.72,1284 301.72,1285 304.475,1286 304.475,1287 35.397,1288 8.085,1289 58.97,1290 58.97,1291 27,1292 12.559,1293 4.459,1294 3.524,1295 41.797,1296 141,1297 141,1298 0.141,1299 215.641,1300 358.39,1301 517.924,1302 44683,1304 20.175,1305 0.673,1306 0.569,1307 20.175,1308 17.075,1309 14.865,1310 0.437,1311 0.314,1312 10.532,1313 14.324,1314 10.335,1315 8.531,1316 14.865,1317 10.674,1318 12.842,1319 0.279,1320 0.174,1321 12.842,1322 7.996,1323 11.306,1324 0.182,1325 0.098,1326 11.306,1327 6.057,1328 9.542,1329 0.119,1330 0.055,1331 9.542,1332 4.397,1333 6.844,1334 0.077,1335 0.031,1336 6.844,1337 2.72,1338 0.229,1339 92.796,1340 0.204,1341 28.96,1342 0.37,1343 160,1344 396.649,1345 172.315,1346 387.574,1347 544.39,1348 368,1349 188,1350 410.352,1351 202.174,1352 418.112,1353 606.83,1354 393,1355 9.092} {0 CHEMBL348756,1 1.345,2 13.839,3 5.75,4 33.066,5 136.556,6 6.518,7 0.286,8 4.275,9 4.42,10 3.748,11 3.839,12 5.109,13 3.765,14 4.899,15 5.108,16 4.114,17 4.294,18 5.654,19 4.184,20 5.218,21 5.481,22 4.134,23 4.463,24 5.906,25 4.286,26 5.226,27 5.505,28 4.073,29 4.435,30 5.913,31 4.225,32 5.137,33 5.419,34 4.014,35 4.348,36 5.835,37 4.141,38 5.012,39 5.264,40 3.957,41 4.287,42 5.724,43 4.12,44 5.071,45 5.334,46 3.887,47 4.29,48 5.746,49 4.115,50 5.098,51 5.399,52 3.749,53 4.218,54 5.713,55 3.996,56 0.115,57 1,58 16.573,59 6.642,60 8.995,61 9.628,62 0.227,63 1.733,64 32.002,65 11.47,66 18.072,67 17.145,68 0.309,69 2.183,70 45.93,71 16.547,72 27.968,73 23.81,74 0.294,75 2.149,76 48.282,77 17.643,78 30.715,79 24.352,80 0.314,81 1.984,82 47.046,83 16.554,84 31.928,85 22.224,86 0.239,87 1.806,88 38.488,89 13.936,90 24.727,91 19.556,92 0.248,93 1.859,94 36.91,95 13.766,96 23.33,97 20.347,98 0.273,99 1.794,100 38.807,101 14.605,102 25.912,103 21.041,104 2,105 48,106 0.214,107 0.517,108 0.721,109 0.829,110 0.842,111 0.842,112 3.471,113 1.092,114 -5.25,115 -5.14,116 -4.8,119 38.8,121 9,122 1,125 5,134 1,135 1,140 3,141 3,149 1,150 1,156 1,166 1,169 16,172 5,176 4,178 17,182 3,186 7,189 14,193 4,197 4,199 10,203 5,206 1,208 3,211 8,215 5,220 4,222 9,226 3,231 4,233 9,237 3,240 1,242 1,244 12,253 1,254 1,256 13,259 1735,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 20.104,266 22.456,267 12.905,268 21.919,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 14.95,275 23.783,276 6.172,277 17.865,278 4.721,279 2.819,280 1.535,281 0.858,282 0.776,283 0.776,284 4.184,289 1,290 957,291 3.162,294 168.859,295 302.383,298 137.264,302 2.306,303 13.091,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64,315 429,316 4.568,317 3.914,318 6.566,319 4.109,320 3.12,321 4.515,322 2.013,323 10.433,324 3.087,325 4.119,326 3.201,327 6.105,328 3.814,329 2.852,330 3.555,331 0.8,332 8.923,333 2.762,334 3.966,335 2.996,336 6.044,337 3.723,338 2.741,339 3.128,340 0.657,341 8.668,342 2.671,343 3.562,344 2.834,345 5.368,346 3.466,347 2.536,348 2.755,350 7.028,351 2.36,352 3.429,353 2.564,354 5.309,355 3.297,356 2.337,357 2.515,359 6.833,360 2.238,361 3.322,362 2.276,363 5.104,364 2.964,365 1.979,366 2.481,368 5.94,369 1.946,370 3.012,371 2.146,372 4.439,373 2.704,374 1.745,375 2.098,377 4.4,378 1.665,379 2.835,380 1.649,381 4.185,382 2.471,383 1.492,384 1.848,386 3.854,387 1.458,388 2.684,389 1.417,390 4.089,391 2.326,392 1.339,393 1.726,395 3.362,396 1.32,397 2.346,398 1.4,399 3.521,400 2.156,401 1.177,402 1.33,404 2.743,405 1.15,406 2.177,407 1.396,408 3.445,409 2,410 1.022,411 1.113,413 2.461,414 1,415 2.136,416 1.235,417 3.414,418 1.984,419 1,420 1.048,422 2.275,423 0.983,424 2.056,425 1,426 3.261,427 1.962,428 1,429 1,431 2.136,432 0.948,433 2,434 0.859,435 3.247,436 1.727,437 0.768,438 0.993,440 1.804,441 0.734,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.433,452 0.498,453 0.585,454 0.019,455 30,456 0.968,457 10.5,458 0.339,459 19.5,460 0.629,461 35.592,462 1.148,463 34.367,464 0.513,465 18.772,466 0.606,467 4.955,468 0.16,469 10.304,470 0.332,471 0.054,473 0.279,479 0.97,480 1.251,481 0.825,482 1.006,483 0.71,484 1.041,485 1.33,486 1.178,487 0.904,488 0.981,489 0.735,490 1.041,491 1.127,492 1.056,493 0.996,494 1.013,495 0.925,496 1.036,497 1.018,498 1.026,499 1.084,500 1.049,501 1.277,502 1.016,503 1.047,504 0.978,505 1.248,506 1.099,507 1.447,508 0.946,509 1.141,510 1.126,511 1.154,512 1.121,513 1.175,514 1.053,515 1.155,516 1.121,517 0.918,518 1.009,519 0.96,520 1.12,521 0.86,522 0.928,523 0.821,524 0.893,525 0.803,526 0.981,527 5,528 0.094,529 3.333,530 1.389,531 1.192,532 0.951,533 0.462,534 0.265,535 0.321,536 0.138,537 15639,538 27285,539 2.2,540 53.7,541 10,542 14,543 1,545 2,546 1,547 8,550 1.732,551 2.138,552 3.739,553 0.129,559 90.099,560 1.345,561 3.247,562 4.532,563 5.208,564 5.29,565 5.29,566 3.26,567 4.349,568 4.921,569 3.934,570 1829.24,571 8.573,572 27237.9,577 406.428,578 1.058,579 4.918,580 0.143,581 0.004,582 0.069,583 0.031,584 0.03,585 0.024,586 0.012,587 0.007,588 0.011,589 0.005,590 0.336,591 0.17,592 0.88,593 0.32,594 164.311,595 0.164,596 -0.031,597 0.058,598 0.006,599 0.127,600 0.032,601 -0.075,602 -0.049,603 -0.012,604 -0.027,605 0.088,606 -0.03,607 -0.069,608 -0.036,609 -0.033,610 -0.036,611 0.042,612 -0.046,613 -0.044,614 -0.032,615 -0.014,616 -0.013,617 -0.085,618 -0.021,619 0.02,620 0.037,621 -0.017,622 0.016,623 -0.077,624 0.055,625 -0.073,626 -0.078,627 -0.097,628 -0.084,629 -0.075,630 -0.046,631 -0.112,632 -0.117,633 -0.105,634 -0.117,635 -0.118,636 -0.144,637 0.039,638 -0.003,639 0.025,640 0.006,641 0.038,642 -0.02,643 0.746,644 2.052,645 0.839,646 38.672,647 0.979,648 1.128,649 4.016,650 16.127,651 0.655,652 3.584,653 3.892,654 4.174,655 4.419,656 4.595,657 4.682,658 4.86,659 5.017,660 5.124,661 5.242,662 8.052,663 0.593,664 436.73,665 3.584,666 5.118,667 5.969,668 6.834,669 7.698,670 8.568,671 9.438,672 10.312,673 11.186,674 12.063,675 6,678 2,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 67,716 12,717 1,718 35,720 71,721 26,722 8,723 3,724 3,725 2,730 5,731 6,740 8,741 1,743 9,745 11,746 15,747 1,750 2,756 1,757 1,759 2,764 36,765 3,766 2,767 5,768 1,773 4,776 1,777 0.8,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,827 31,833 14,834 1,837 1,838 2,854 14.5,855 11.567,856 6.778,857 4.682,858 2.451,859 1.3,860 1.009,861 6.968,862 10.631,863 3.761,864 4.28,865 4.825,866 5.367,867 5.835,868 6.219,869 6.665,870 7.052,871 7.188,872 7.46,873 1,874 45,875 11.562,877 4.915,878 7.274,879 23.681,881 20.679,883 1.774,884 55,888 400.217,889 140.471,890 40.8,894 45.192,895 95.279,896 400.217,897 40.8,899 51.228,900 46.952,901 0.713,902 35.041,903 13.915,904 388.446,905 45.192,906 400.217,907 136.079,909 45.192,911 306.049,912 94.169,915 74.139,916 52.463,917 9.476,918 45.192,919 400.217,920 40.8,921 140.471,924 400.217,925 48.326,926 53.079,927 34.674,928 45.192,929 400.217,930 40.8,931 140.471,933 0.577,934 0.338,935 0.181,936 0.09,937 24,938 9,939 0.085,940 6,941 1,942 1.077,943 4.49,944 277.224,945 0.077,946 26,947 145.58,949 1,951 21.48,952 10.056,953 5.179,954 2.661,955 24.014,956 9.169,958 3.483,961 2.838,963 34.674,964 581.488,965 42,971 5.719,972 2.387,974 2.531,975 65.621,976 75.556,977 0.222,978 0.535,979 0.747,980 0.858,981 0.872,982 0.872,983 5.014,984 1.492,985 5.927,986 4.4,987 4.575,988 4.966,989 2.242,990 6.703,991 4.515,992 6.165,993 1.339,994 7.459,995 3.854,996 4.007,997 4.705,998 1.784,999 7.516,1000 3.9,1001 7.449,1002 1.177,1003 9.09,1004 3.362,1005 6.133,1006 7.077,1007 3.16,1008 10.606,1009 6.021,1010 8.769,1011 1.022,1012 10.782,1013 2.743,1014 6.447,1015 7.766,1016 3.274,1017 12.284,1018 6.298,1019 10.129,1020 1,1021 12.515,1022 2.461,1023 7.97,1024 9.592,1025 4.382,1026 14.853,1027 7.814,1028 11.516,1029 1,1030 14.274,1031 2.275,1032 8.689,1033 10.722,1034 4.763,1035 16.886,1036 8.508,1037 12.923,1038 0.768,1039 16.054,1040 2.136,1041 9.963,1042 12.345,1043 5.699,1044 19.282,1045 9.774,1046 3.12,1047 0.618,1048 17.847,1049 1.804,1050 10.878,1051 13.68,1052 6.22,1053 21.471,1054 10.673,1055 2.852,1056 10.433,1057 19.652,1058 1.372,1059 12.046,1060 15.226,1061 7.054,1062 23.81,1063 11.833,1064 2.741,1065 8.923,1066 21.466,1067 4.515,1068 13.058,1069 16.654,1070 7.653,1071 26.07,1072 12.834,1073 2.536,1074 8.668,1075 23.287,1076 3.555,1077 14.185,1078 18.172,1079 8.428,1080 28.393,1081 13.952,1082 2.337,1083 7.028,1084 25.115,1085 3.128,1086 15.244,1087 19.641,1088 9.071,1089 30.688,1090 15.004,1091 1.979,1092 6.833,1093 26.947,1094 2.755,1095 16.357,1096 21.15,1097 9.814,1098 33.01,1099 16.109,1100 1.745,1101 5.94,1102 28.784,1103 2.515,1104 17.442,1105 22.639,1106 10.481,1107 35.323,1108 17.188,1109 14301,1110 19023,1111 24.444,1112 43.853,1113 52.311,1114 53.594,1115 52.289,1116 52.246,1117 52.155,1118 62.259,1119 6.941,1120 146.154,1121 50.526,1122 5.568,1123 5.914,1124 6.368,1125 5.149,1126 5.12,1127 7.515,1128 3.526,1129 17.105,1130 5.087,1131 7.409,1132 1.495,1133 1.531,1134 1.494,1135 1.493,1136 1.49,1137 1.779,1138 0.198,1139 4.176,1140 1.444,1141 4.149,1142 4.183,1143 4.108,1144 4.074,1145 4.968,1146 4.077,1147 3.905,1148 3.96,1149 3.979,1150 3.813,1151 4.816,1152 3.786,1153 3.849,1154 3.918,1155 3.73,1156 3.707,1157 4.476,1158 3.705,1159 3.801,1160 3.86,1161 3.693,1162 3.662,1163 4.338,1164 3.66,1165 3.47,1166 3.528,1167 3.547,1168 3.358,1169 4.186,1170 3.337,1171 3.348,1172 3.409,1173 3.318,1174 3.287,1175 4.151,1176 3.223,1177 3.225,1178 3.301,1179 3.095,1180 3.046,1181 3.854,1182 3.042,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.71,1188 2.91,1189 0.131,1190 0.112,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.914,1197 0.058,1198 6.566,1199 0.298,1200 4.109,1201 0.088,1202 3.12,1203 4.515,1204 2.013,1205 10.433,1206 3.087,1207 1.994,1208 1.971,1209 2.099,1210 2.078,1211 1.488,1212 2.086,1213 1.887,1214 1.839,1215 2.083,1216 2.017,1217 1.33,1218 2.047,1219 1.745,1220 1.695,1221 1.922,1222 1.908,1223 1.229,1224 1.917,1225 1.665,1226 1.602,1227 1.86,1228 1.871,1229 1.211,1230 1.871,1231 1.577,1232 1.507,1233 1.852,1234 1.751,1235 1.067,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.659,1241 0.873,1242 1.658,1243 1.333,1244 1.291,1245 1.514,1246 1.495,1247 0.851,1248 1.523,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.825,1254 1.429,1255 4.263,1257 5.572,1258 3.045,1259 7.069,1260 5.283,1261 8.647,1262 7.273,1263 10.27,1271 17.17,1272 3.549,1275 0.587,1276 4.905,1280 39.701,1281 90.099,1282 217.531,1283 303.615,1284 348.918,1285 354.428,1286 354.428,1287 41.92,1288 8.18,1289 34.3,1290 66.39,1291 28,1292 12.602,1293 3.7,1294 3,1295 43.894,1296 149,1297 144,1298 0.14,1299 243.948,1300 421.43,1301 586.993,1302 47281,1304 21.045,1305 0.679,1306 0.628,1307 21.545,1308 19.483,1309 15.259,1310 0.436,1311 0.364,1312 12.275,1313 14.675,1314 12.003,1315 9.88,1316 15.548,1317 12.742,1318 13.454,1319 0.28,1320 0.209,1321 13.825,1322 10.049,1323 11.741,1324 0.183,1325 0.124,1326 12.094,1327 7.912,1328 9.732,1329 0.119,1330 0.072,1331 10.066,1332 5.879,1333 7.437,1334 0.076,1335 0.04,1336 7.673,1337 3.954,1338 0.227,1339 96.529,1340 0.202,1341 29.794,1342 0.367,1343 166,1344 318.816,1345 187.305,1346 342.076,1347 480.67,1348 324,1349 195,1350 351.907,1351 214.57,1352 367.586,1353 539.58,1354 349,1355 7.959} {0 CHEMBL348815,1 1.36,2 14.839,3 3.272,4 10.705,5 127.929,6 6.797,7 0.6,8 4.202,9 4.345,10 3.711,11 3.738,12 5.182,13 3.7,14 4.766,15 4.966,16 4.027,17 4.167,18 5.637,19 4.093,20 5.028,21 5.278,22 3.945,23 4.288,24 5.772,25 4.145,26 5.099,27 5.381,28 3.876,29 4.254,30 5.807,31 4.087,32 5.057,33 5.355,34 3.817,35 4.165,36 5.736,37 4.001,38 4.942,39 5.22,40 3.818,41 4.116,42 5.651,43 3.977,44 4.944,45 5.219,46 3.792,47 4.115,48 5.678,49 3.966,50 4.913,51 5.198,52 3.648,53 4.051,54 5.604,55 3.88,56 0.092,57 0.958,58 14.069,59 5.379,60 12.273,61 7.857,62 0.253,63 1.56,64 25.886,65 9.109,66 20.552,67 13.593,68 0.234,69 1.816,70 34.332,71 12.822,72 24.251,73 19.101,74 0.287,75 1.852,76 37.632,77 13.601,78 31.201,79 20.529,80 0.329,81 1.745,82 36.551,83 12.673,84 29.9,85 19.348,86 0.256,87 1.614,88 32.194,89 10.99,90 23.864,91 16.865,92 0.328,93 1.627,94 32.276,95 11.214,96 27.507,97 16.982,98 0.235,99 1.523,100 31.312,101 11.057,102 25.78,103 16.825,105 47,106 0.218,107 0.548,108 0.735,109 0.854,110 0.872,111 0.872,112 3.471,113 0.966,114 -5.14,115 -5.04,116 -4.71,119 41,121 3,122 1,125 5,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 5,178 12,182 3,186 5,189 9,193 6,195 1,197 2,199 6,203 6,206 2,208 2,211 5,215 4,220 2,222 5,225 1,226 4,229 2,231 3,233 6,237 2,242 1,244 6,248 2,249 4,253 1,254 1,256 5,259 1771,260 21.792,261 21.792,262 21.792,263 21.792,264 21.792,265 19.353,266 24.36,267 13.252,268 22.189,269 17.352,270 17.352,271 17.352,272 17.352,273 17.352,274 13.77,275 25.324,276 6.371,277 17.987,278 4.571,279 2.511,280 1.344,281 0.603,282 0.492,283 0.492,284 4.186,288 1,289 1,290 1032,291 3.162,294 252.957,295 207.162,298 137.38,302 2.445,303 11.825,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 65,315 460,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.967,327 6.096,328 3.711,329 2.767,330 3.732,331 0.4,332 8.885,333 2.629,334 3.897,335 2.867,336 5.647,337 3.67,338 2.721,339 3.444,341 7.879,342 2.57,343 3.74,344 2.726,345 5.34,346 3.519,347 2.521,348 2.828,350 6.965,351 2.516,352 3.426,353 2.276,354 5.139,355 3.075,356 2.107,357 2.721,359 6.09,360 2.038,361 3.25,362 2.107,363 4.88,364 2.881,365 1.925,366 2.586,368 5.585,369 1.831,370 3.027,371 1.793,372 4.514,373 2.724,374 1.769,375 2.124,377 4.654,378 1.685,379 2.929,380 1.722,381 4.122,382 2.578,383 1.593,384 2.015,386 3.434,387 1.568,388 2.727,389 1.463,390 3.719,391 2.274,392 1.305,393 1.825,395 3.319,396 1.263,397 2.5,398 1.308,399 3.472,400 2.216,401 1.251,402 1.5,404 2.753,405 1.204,406 2.427,407 1.025,408 3.358,409 2,410 1,411 1.417,413 2.205,414 1,415 2.384,416 1,417 3.283,418 1.925,419 0.965,420 1.346,422 2.136,423 0.924,424 2.136,425 0.883,426 3.247,427 1.784,428 0.812,429 1.008,431 1.908,432 0.787,433 2.118,434 0.756,435 3.234,436 1.647,437 0.684,438 0.927,440 1.655,441 0.657,442 1.813,443 0.618,444 3.057,445 1.518,446 0.618,447 0.772,449 1.372,450 0.556,451 14.9,452 0.481,453 0.496,454 0.016,455 38.5,456 1.242,457 18,458 0.581,459 20.5,460 0.661,461 26.978,462 0.87,463 33.1,464 0.543,465 25.416,466 0.82,467 7.456,468 0.241,469 7.893,470 0.255,473 0.255,479 0.936,480 1.361,481 0.873,482 1.106,483 0.703,484 1.003,485 1.242,486 1.058,487 1.056,488 0.999,489 0.891,490 1.006,491 0.923,492 1.089,493 1.079,494 1.133,495 0.781,496 1.124,497 0.804,498 1.032,499 0.977,500 1.059,501 0.764,502 1.04,503 0.822,504 0.921,505 0.889,506 0.926,507 0.788,508 0.916,509 1.034,510 0.998,511 0.941,512 0.942,513 0.829,514 0.934,515 0.945,516 0.965,517 1.028,518 1.021,519 0.93,520 1.031,521 0.926,522 1.029,523 1.015,524 1.05,525 1.067,526 1.043,527 4.5,528 0.079,529 2.667,530 1.139,531 0.944,532 0.583,533 0.464,534 0.191,535 0.201,536 0.131,537 16928,538 35960,539 2.221,540 49.2,542 18,543 1,544 2,545 2,547 6,548 1,550 1.729,551 2.188,552 3.823,553 0.161,555 1,559 82.962,560 1.36,561 3.42,562 4.587,563 5.328,564 5.439,565 5.439,566 3.284,567 4.632,568 4.923,569 4.043,570 1879.87,571 8.558,572 29200.7,574 1,577 361.775,578 0.824,579 4.929,580 0.129,581 0.003,582 0.057,583 0.028,584 0.026,585 0.017,586 0.013,587 0.006,588 0.007,589 0.005,590 0.289,591 0.17,592 0.88,594 166.565,595 0.108,596 -0.132,597 0.081,598 -0.037,599 0.229,600 0.01,601 -0.077,602 0.093,603 -0.077,604 0.011,605 0.005,606 -0.026,607 -0.089,608 -0.09,609 -0.117,610 -0.112,611 -0.007,612 -0.116,613 0.04,614 -0.095,615 -0.003,616 -0.064,617 0.071,618 -0.042,619 0.105,620 -0.002,621 0.1,622 0.046,623 0.101,624 0.068,625 -0.046,626 -0.032,627 0.046,628 0.034,629 0.03,630 0.047,631 0.066,632 0.014,633 -0.041,634 -0.046,635 -0.01,636 -0.053,637 -0.043,638 -0.094,639 -0.036,640 -0.064,641 -0.117,642 -0.052,643 0.57,644 1.166,645 0.806,646 39.634,647 0.987,648 1.131,649 3.911,650 15.296,651 0.659,652 3.584,653 3.871,654 4.143,655 4.394,656 4.511,657 4.595,658 4.745,659 4.898,660 4.963,661 5.037,662 8.703,663 0.614,664 414.61,665 3.584,666 5.106,667 5.948,668 6.806,669 7.662,670 8.526,671 9.389,672 10.258,673 11.126,674 11.999,675 9.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 35,720 65,721 25,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 3,745 16,746 9,747 1,761 1,764 30,765 4,766 2,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,827 31,833 8,834 1,837 1,838 1,844 1,854 14.167,855 10.55,856 6.833,857 3.816,858 3.556,859 1.437,860 1.021,861 6.33,862 11.689,863 3.839,864 4.407,865 4.996,866 5.577,867 5.997,868 6.325,869 6.776,870 7.209,871 7.41,872 7.648,873 0.9,874 41,875 11.455,877 4.811,878 7.392,879 22.883,881 19.32,883 1.892,884 58.667,887 1,888 329.591,889 134.072,890 73.146,895 134.072,896 329.591,897 73.146,899 18.132,900 102.868,901 74.105,902 33.51,903 13.915,904 294.278,906 329.591,907 207.217,911 247.193,912 82.398,915 75.189,916 98.702,917 33.326,919 329.591,920 73.146,921 134.072,924 329.591,925 31.977,926 107.118,927 34.796,928 33.326,929 329.591,930 73.146,931 134.072,933 0.569,934 0.33,935 0.18,936 0.087,937 23,938 8,939 0.138,940 9,941 1,942 1.08,943 4.631,944 268.422,945 0.08,946 25,947 143.58,951 20.289,952 9.672,953 5.001,954 2.485,955 54.461,956 22.851,957 7.839,958 3.424,961 3.893,962 1.95,963 34.796,964 536.808,965 45.5,975 60.214,976 68.972,977 0.229,978 0.577,979 0.773,980 0.898,981 0.917,982 0.917,983 5.051,984 1.593,985 5.889,986 4.654,987 4.554,988 5.094,989 0.824,990 6.642,991 4.486,992 6.214,993 1.305,994 7.401,995 3.434,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.488,1002 1.251,1003 9.012,1004 3.319,1005 6.084,1006 7.256,1007 0.413,1008 10.502,1009 5.956,1010 8.803,1011 1,1012 10.688,1013 2.753,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.188,1019 10.157,1020 0.965,1021 12.406,1022 2.205,1023 7.896,1024 9.765,1025 0.246,1026 14.738,1027 7.712,1028 11.539,1029 0.812,1030 14.155,1031 2.136,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.378,1037 12.942,1038 0.684,1039 15.926,1040 1.908,1041 9.875,1042 12.487,1043 0.157,1044 19.176,1045 9.642,1046 3.119,1047 0.618,1048 17.713,1049 1.655,1050 10.779,1051 13.766,1052 0.125,1053 21.376,1054 10.522,1055 2.767,1056 10.433,1057 19.514,1058 1.372,1059 11.953,1060 15.334,1061 0.102,1062 23.72,1063 11.677,1064 2.721,1065 8.885,1066 21.326,1067 4.518,1068 12.96,1069 16.728,1070 0.082,1071 25.991,1072 12.664,1073 2.521,1074 7.879,1075 23.146,1076 3.732,1077 14.09,1078 18.253,1079 0.067,1080 28.321,1081 13.776,1082 2.107,1083 6.965,1084 24.973,1085 3.444,1086 15.15,1087 19.703,1088 0.054,1089 30.625,1090 14.818,1091 1.925,1092 6.09,1093 26.807,1094 2.828,1095 16.265,1096 21.211,1097 0.043,1098 32.954,1099 15.917,1100 1.769,1101 5.585,1102 28.646,1103 2.721,1104 17.351,1105 22.688,1106 0.035,1107 35.274,1108 16.989,1109 15400,1110 22654,1111 24.731,1112 40.171,1113 51.922,1114 51.694,1115 51.628,1116 51.736,1117 51.767,1118 67.15,1119 2.4,1120 142.012,1121 49.984,1122 5.536,1123 5.202,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.2,1129 17.106,1130 5.062,1132 1.483,1133 1.477,1134 1.475,1135 1.478,1136 1.479,1137 1.919,1138 0.069,1139 4.057,1140 1.428,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.937,1148 3.986,1149 3.849,1150 3.864,1151 4.927,1152 3.856,1153 3.874,1154 3.929,1155 3.794,1156 3.732,1157 4.754,1158 3.731,1159 3.82,1160 3.892,1161 3.75,1162 3.578,1163 4.397,1164 3.618,1165 3.522,1166 3.605,1167 3.376,1168 3.335,1169 4.256,1170 3.335,1171 3.401,1172 3.465,1173 3.271,1174 3.263,1175 4.156,1176 3.256,1177 3.22,1178 3.299,1179 3.081,1180 3.031,1181 3.849,1182 3.034,1183 3.073,1184 3.164,1185 2.891,1186 2.881,1187 3.714,1188 2.872,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.569,1195 0.129,1196 3.202,1197 0.023,1198 6.566,1199 0.298,1200 4.1,1201 0.087,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.061,1210 2.052,1211 1.326,1212 2.049,1213 1.921,1214 1.89,1215 2.039,1216 2.014,1217 1.268,1218 2.032,1219 1.704,1220 1.642,1221 1.924,1222 1.889,1223 1.213,1224 1.9,1225 1.674,1226 1.613,1227 1.876,1228 1.859,1229 1.115,1230 1.875,1231 1.449,1232 1.374,1233 1.705,1234 1.694,1235 0.913,1236 1.683,1237 1.416,1238 1.343,1239 1.638,1240 1.626,1241 0.868,1242 1.648,1243 1.371,1244 1.306,1245 1.516,1246 1.584,1247 0.588,1248 1.579,1249 1.078,1250 0.983,1251 1.376,1252 1.442,1253 0.55,1254 1.379,1255 4.263,1257 5.557,1258 3.434,1259 7.027,1260 5.687,1261 8.58,1262 7.678,1263 10.18,1271 9.179,1272 3.666,1275 0.763,1276 2.617,1280 37.45,1281 82.962,1282 208.625,1283 279.801,1284 325.02,1285 331.775,1286 331.775,1287 36.879,1288 8.132,1289 61.77,1290 61.77,1291 27,1292 12.542,1293 4.459,1294 3.524,1295 44.063,1296 163,1297 163,1298 0.128,1299 228.031,1300 377.9,1301 548.156,1302 48509,1304 20.882,1305 0.674,1306 0.577,1307 20.882,1308 17.874,1309 15.348,1310 0.439,1311 0.322,1312 11.142,1313 14.864,1314 10.926,1315 9.04,1316 15.348,1317 11.27,1318 13.29,1319 0.283,1320 0.182,1321 13.29,1322 8.558,1323 11.464,1324 0.185,1325 0.103,1326 11.464,1327 6.402,1328 9.59,1329 0.12,1330 0.058,1331 9.59,1332 4.613,1333 7.023,1334 0.078,1335 0.033,1336 7.023,1337 3.01,1338 0.211,1339 95.232,1340 0.201,1341 30.198,1342 0.324,1343 164,1344 371.246,1345 174.491,1346 371.14,1347 524.89,1348 352,1349 191,1350 400.49,1351 203.129,1352 409.756,1353 592.15,1354 386,1355 8.397} {0 CHEMBL348864,1 1.337,2 14.788,3 4.267,4 18.207,5 137.444,6 6.607,7 0.568,8 4.285,9 4.429,10 3.77,11 3.814,12 5.243,13 3.769,14 4.863,15 5.075,16 4.105,17 4.241,18 5.713,19 4.167,20 5.111,21 5.347,22 4.059,23 4.401,24 5.86,25 4.261,26 5.271,27 5.553,28 4.02,29 4.431,30 5.959,31 4.26,32 5.26,33 5.549,34 4.009,35 4.41,36 5.936,37 4.236,38 5.234,39 5.521,40 3.977,41 4.379,42 5.918,43 4.207,44 5.182,45 5.478,46 3.921,47 4.303,48 5.858,49 4.134,50 5.07,51 5.361,52 3.801,53 4.2,54 5.765,55 4.028,56 0.1,57 1.037,58 15.845,59 6.03,60 13.215,61 8.914,62 0.301,63 1.701,64 29.366,65 9.827,66 23.923,67 15.045,68 0.246,69 2.007,70 37.33,71 14.034,72 25.903,73 20.961,74 0.347,75 2.184,76 44.552,77 16.15,78 35.498,79 24.437,80 0.318,81 2.131,82 44.012,83 16.301,84 34.855,85 24.554,86 0.334,87 2.094,88 43.026,89 15.478,90 33.423,91 23.501,92 0.338,93 1.969,94 41.045,95 14.331,96 32.389,97 21.971,98 0.335,99 1.772,100 36.683,101 12.864,102 30.755,103 19.619,104 5,105 51,106 0.211,107 0.544,108 0.779,109 0.859,110 0.881,111 0.881,112 3.531,113 0.976,114 -5.28,115 -5.17,116 -4.83,119 40.3,120 1,121 2,122 1,124 1,125 5,127 1,140 8,141 4,146 1,149 1,150 1,158 1,164 1,169 13,171 2,172 7,176 3,178 13,182 7,186 3,189 10,192 1,193 8,197 1,199 9,203 7,206 1,211 8,215 9,218 1,222 6,226 6,229 1,231 2,233 5,236 1,237 4,240 1,244 7,248 1,249 2,252 1,256 6,259 2000,260 22.739,261 22.739,262 22.739,263 22.739,264 22.739,265 20.262,266 27.893,267 13.554,268 23.173,269 18.299,270 18.299,271 18.299,272 18.299,273 18.299,274 14.666,275 39.663,276 6.505,277 18.985,278 4.729,279 2.611,280 1.12,281 0.612,282 0.47,283 0.47,284 4.239,289 1,290 1083,291 3.742,294 276.674,295 221.214,298 149.318,302 2.292,303 13.31,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 69,315 488,316 4.552,317 3.283,318 6.548,319 4.084,320 3.097,321 4.504,322 0.916,323 10.366,324 3.057,325 4.121,326 3.189,327 6.339,328 3.919,329 2.956,330 3.562,331 0.8,332 9.434,333 2.851,334 3.979,335 2.947,336 5.665,337 3.672,338 2.712,339 3.522,340 0.522,341 7.918,342 2.609,343 3.755,344 2.832,345 5.565,346 3.575,347 2.624,348 3.058,349 0.172,350 7.639,351 2.503,352 3.61,353 2.416,354 5.186,355 3.198,356 2.231,357 2.788,359 6.333,360 2.153,361 3.398,362 2.312,363 5.107,364 3.121,365 2.163,366 2.663,368 6.111,369 2.061,370 3.317,371 2.085,372 4.996,373 2.927,374 1.952,375 2.505,377 5.787,378 1.9,379 2.965,380 1.921,381 4.757,382 2.76,383 1.793,384 2.041,386 5.075,387 1.729,388 2.746,389 1.538,390 4.145,391 2.385,392 1.406,393 1.846,395 3.481,396 1.374,397 2.68,398 1.332,399 3.765,400 2.249,401 1.28,402 1.716,404 3.123,405 1.239,406 2.58,407 1.226,408 3.444,409 2.081,410 1.157,411 1.611,413 2.571,414 1.066,415 2.5,416 1,417 3.353,418 2,419 1,420 1.5,422 2.136,423 1,424 2.217,425 0.959,426 3.273,427 1.846,428 0.88,429 1.119,431 2.053,432 0.848,433 2.118,434 0.834,435 3.247,436 1.706,437 0.737,438 0.927,440 1.759,441 0.713,442 1.866,443 0.737,444 3.226,445 1.58,446 0.618,447 0.816,449 1.467,450 0.59,451 15.9,452 0.482,453 0.691,454 0.021,455 39.75,456 1.205,457 18,458 0.545,459 21.75,460 0.659,461 31.887,462 0.966,463 35.7,464 0.533,465 27.732,466 0.84,467 7.67,468 0.232,469 8.483,470 0.257,471 0.063,473 0.296,479 0.903,480 1.44,481 0.898,482 1.17,483 0.807,484 1.056,485 1.415,486 1.001,487 1.029,488 0.902,489 0.895,490 0.924,491 0.995,492 1.173,493 1.148,494 1.205,495 0.842,496 1.193,497 0.886,498 0.99,499 1.008,500 1.034,501 0.816,502 1.033,503 0.715,504 0.977,505 0.909,506 1,507 0.733,508 0.978,509 0.862,510 1.004,511 0.981,512 1.027,513 0.881,514 1.017,515 0.914,516 0.946,517 0.929,518 0.942,519 0.814,520 0.938,521 0.933,522 0.936,523 0.996,524 0.984,525 0.959,526 0.994,527 6,528 0.14,529 3.111,530 2.208,531 1.244,532 0.82,533 0.652,534 0.341,535 0.188,536 0.169,537 18822,538 38792,539 2.168,540 50.7,542 22,543 1,544 2,545 1,547 7,548 1,550 1.747,551 2.084,552 3.837,553 -0.412,559 89.563,560 1.337,561 3.455,562 4.946,563 5.454,564 5.596,565 5.596,566 3.294,567 4.681,568 5.016,569 4.031,570 2128.43,571 8.755,572 33889.1,577 406.428,578 1.182,579 4.999,580 0.162,581 0.005,582 0.061,583 0.048,584 0.029,585 0.019,586 0.016,587 0.009,588 0.006,589 0.006,590 0.361,591 0.33,592 0.88,593 0.398,594 179.472,595 0.155,596 -0.194,597 0.089,598 -0.073,599 0.149,600 -0.011,601 -0.091,602 0.164,603 -0.014,604 0.098,605 0.053,606 0.057,607 -0.12,608 -0.126,609 -0.177,610 -0.168,611 -0.059,612 -0.177,613 -0.011,614 -0.033,615 -0.034,616 -0.04,617 0.004,618 -0.039,619 0.074,620 -0.048,621 0.058,623 0.085,624 0.023,625 0.018,626 -0.056,627 -0.005,628 -0.038,629 -0.025,630 -0.026,631 0.026,632 -0.008,633 0.054,634 0.031,635 0.053,636 0.043,637 0.032,638 0.017,639 -0.012,640 -0.01,641 -0.022,642 -0.015,643 0.877,644 1.233,645 0.758,646 40.237,647 0.985,648 1.131,649 4.049,650 16.391,651 0.652,652 3.638,653 3.951,654 4.22,655 4.466,656 4.575,657 4.644,658 4.812,659 4.949,660 4.997,661 5.118,662 8.636,663 0.605,664 442.67,665 3.638,666 5.176,667 6.023,668 6.891,669 7.75,670 8.62,671 9.485,672 10.357,673 11.225,674 12.099,675 9,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 67,716 21,717 2,718 37,720 71,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 1,741 1,743 3,745 16,746 11,747 1,764 34,765 4,766 1,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,815 2,819 4,823 2,827 33,833 7,837 2,838 2,844 1,854 15.833,855 12.333,856 7.194,857 4.15,858 3.502,859 1.425,860 0.998,861 6.794,862 11.738,863 3.882,864 4.454,865 5.016,866 5.579,867 5.964,868 6.212,869 6.637,870 7.039,871 7.175,872 7.505,873 0.9,874 46,875 12.206,877 5.107,878 7.379,879 24.421,881 20.606,883 1.879,884 62,888 388.446,889 149.188,890 58.259,895 149.188,896 388.446,897 58.259,898 17.222,899 15.598,900 84.857,901 65.609,902 45.559,903 13.915,904 353.133,906 388.446,907 207.447,911 294.278,912 94.169,915 66.471,916 107.528,917 33.449,919 388.446,920 58.259,921 149.188,924 388.446,925 29.871,926 127.341,927 16.786,928 33.449,929 388.446,930 58.259,931 149.188,933 0.579,934 0.338,935 0.181,936 0.087,937 25,938 10,939 0.127,940 9,941 1,942 1.08,943 4.662,944 297.646,945 0.08,946 25,947 162.465,951 22.183,952 10.108,953 5.313,954 2.544,955 39.697,956 23.037,957 8.281,958 3.453,961 4.062,962 1.869,963 16.786,964 595.893,965 47.5,975 65.981,976 75.803,977 0.22,978 0.57,979 0.815,980 0.899,981 0.922,982 0.922,983 5.113,984 1.793,985 5.989,986 5.787,987 4.635,988 5.142,989 1.388,990 6.765,991 4.567,992 6.288,993 1.406,994 7.522,995 5.075,996 4.111,997 4.783,998 0.57,999 7.561,1000 4.015,1001 7.569,1002 1.28,1003 9.153,1004 3.481,1005 6.196,1006 7.286,1007 0.942,1008 10.655,1009 6.069,1010 8.887,1011 1.157,1012 10.842,1013 3.123,1014 6.538,1015 7.854,1016 0.581,1017 12.306,1018 6.384,1019 10.239,1020 1,1021 12.57,1022 2.571,1023 8.032,1024 9.768,1025 0.7,1026 14.887,1027 7.854,1028 11.616,1029 0.88,1030 14.325,1031 2.136,1032 8.768,1033 10.796,1034 0.515,1035 16.901,1036 8.567,1037 13.012,1038 0.737,1039 16.1,1040 2.053,1041 10.026,1042 12.463,1043 0.547,1044 19.307,1045 9.805,1046 3.097,1047 0.618,1048 17.891,1049 1.759,1050 10.951,1051 13.729,1052 0.441,1053 21.484,1054 10.709,1055 2.956,1056 10.366,1057 19.693,1058 1.467,1059 12.111,1060 15.293,1061 0.44,1062 23.828,1063 11.852,1064 2.712,1065 9.434,1066 21.506,1067 4.504,1068 13.127,1069 16.679,1070 0.373,1071 26.08,1072 12.851,1073 2.624,1074 7.918,1075 23.327,1076 3.562,1077 14.249,1078 18.201,1079 0.359,1080 28.404,1081 13.956,1082 2.231,1083 7.639,1084 25.155,1085 3.522,1086 15.309,1087 19.646,1088 0.314,1089 30.692,1090 15.001,1091 2.163,1092 6.333,1093 26.989,1094 3.058,1095 16.417,1096 21.153,1097 0.296,1098 33.011,1099 16.095,1100 1.952,1101 6.111,1102 28.828,1103 2.788,1104 17.5,1105 22.627,1106 0.264,1107 35.316,1108 17.164,1109 17289,1110 25029,1111 25.542,1112 43.694,1113 55.674,1114 55.004,1115 55.593,1116 55.216,1117 55.227,1118 70.583,1119 4.821,1120 155.22,1121 53.292,1122 5.52,1123 5.283,1124 6.35,1125 5.136,1126 5.097,1127 7.504,1128 1.605,1129 17.101,1130 5.057,1131 10.894,1132 1.505,1133 1.487,1134 1.503,1135 1.492,1136 1.493,1137 1.908,1138 0.13,1139 4.195,1140 1.44,1141 4.148,1142 4.185,1143 4.103,1144 4.063,1145 5.09,1146 4.068,1147 3.96,1148 4.008,1149 3.877,1150 3.877,1151 4.946,1152 3.872,1153 3.869,1154 3.944,1155 3.815,1156 3.728,1157 4.759,1158 3.726,1159 3.848,1160 3.907,1161 3.749,1162 3.592,1163 4.386,1164 3.634,1165 3.562,1166 3.638,1167 3.434,1168 3.392,1169 4.282,1170 3.395,1171 3.468,1172 3.526,1173 3.358,1174 3.326,1175 4.188,1176 3.326,1177 3.283,1178 3.365,1179 3.124,1180 3.102,1181 3.866,1182 3.099,1183 3.149,1184 3.253,1185 2.922,1186 2.95,1187 3.783,1188 2.93,1189 0.123,1190 0.089,1191 0.177,1192 0.11,1193 0.084,1194 4.552,1195 0.122,1196 3.283,1197 0.025,1198 6.548,1199 0.28,1200 4.084,1201 0.083,1202 3.097,1203 4.504,1204 0.916,1205 10.366,1206 3.057,1207 1.966,1208 1.943,1209 2.065,1210 2.051,1211 1.345,1212 2.054,1213 1.93,1214 1.898,1215 2.057,1216 2.034,1217 1.285,1218 2.047,1219 1.707,1220 1.647,1221 1.921,1222 1.885,1223 1.186,1224 1.896,1225 1.676,1226 1.616,1227 1.881,1228 1.855,1229 1.15,1230 1.874,1231 1.469,1232 1.393,1233 1.739,1234 1.748,1235 0.922,1236 1.716,1237 1.458,1238 1.384,1239 1.646,1240 1.662,1241 0.858,1242 1.689,1243 1.412,1244 1.34,1245 1.612,1246 1.631,1247 0.77,1248 1.637,1249 1.213,1250 1.134,1251 1.552,1252 1.494,1253 0.647,1254 1.477,1255 4.317,1257 5.631,1258 3.434,1259 7.117,1260 5.687,1261 8.681,1262 7.67,1263 10.288,1265 4.583,1271 7.81,1275 1.205,1276 5.156,1280 40.504,1281 89.563,1282 231.512,1283 331.408,1284 365.408,1285 374.918,1286 374.918,1287 42.16,1288 8.235,1289 52.98,1290 52.98,1291 27,1292 12.641,1293 4.459,1294 3.524,1295 48.163,1296 174,1297 156,1298 0.132,1299 247.216,1300 412.5,1301 594.967,1302 53630,1304 22.623,1305 0.686,1306 0.597,1307 22.623,1308 19.691,1309 16.153,1310 0.437,1311 0.325,1312 11.901,1313 15.637,1314 11.547,1315 9.599,1316 16.153,1317 12.043,1318 14.419,1319 0.283,1320 0.187,1321 14.419,1322 9.518,1323 12.403,1324 0.185,1325 0.107,1326 12.403,1327 7.2,1328 10.197,1329 0.119,1330 0.06,1331 10.197,1332 5.127,1333 7.41,1334 0.077,1335 0.035,1336 7.41,1337 3.352,1338 0.216,1339 100.21,1340 0.198,1341 31.484,1342 0.341,1343 176,1344 388.558,1345 187.185,1346 388.434,1347 547.99,1348 368,1349 206,1350 415.772,1351 219.322,1352 428.437,1353 619.2,1354 401,1355 8.347} {0 CHEMBL348962,1 1.373,2 14.303,3 3.293,4 10.845,5 135.945,6 6.722,7 0.568,8 4.278,9 4.426,10 3.776,11 3.785,12 5.257,13 3.75,14 4.846,15 5.059,16 4.094,17 4.206,18 5.708,19 4.14,20 5.104,21 5.35,22 4.103,23 4.384,24 5.853,25 4.26,26 5.229,27 5.49,28 4.096,29 4.444,30 5.946,31 4.291,32 5.314,33 5.607,34 4.069,35 4.431,36 6.007,37 4.268,38 5.256,39 5.545,40 3.991,41 4.378,42 5.962,43 4.21,44 5.196,45 5.498,46 3.858,47 4.27,48 5.876,49 4.084,50 5.047,51 5.36,52 3.642,53 4.088,54 5.698,55 3.902,56 0.097,57 1.047,58 15.515,59 5.636,60 13.801,61 8.469,62 0.309,63 1.682,64 28.694,65 9.166,66 23.155,67 14.255,68 0.331,69 1.989,70 37.277,71 13.427,72 26.794,73 20.218,74 0.262,75 2.155,76 42.292,77 15.6,78 30.462,79 23.584,80 0.405,81 2.234,82 47.112,83 15.836,84 37.415,85 24.62,86 0.409,87 2.114,88 44.408,89 15.096,90 36.915,91 23.31,92 0.358,93 1.929,94 41.948,95 14.443,96 35.637,97 22.301,98 0.37,99 1.632,100 36.536,101 11.666,102 31.079,103 18.417,104 4,105 50,106 0.217,107 0.538,108 0.724,109 0.817,110 0.843,111 0.843,112 3.531,113 0.967,114 -4.59,115 -4.51,116 -4.24,119 39.4,121 2,124 1,125 6,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 4,176 3,178 11,181 1,182 5,184 1,186 4,189 8,193 8,197 3,199 3,203 9,206 1,208 2,211 2,215 7,218 2,220 1,222 1,226 6,229 2,233 1,236 1,237 5,242 1,244 3,249 1,252 1,254 1,256 5,259 1895,260 23.214,261 23.214,262 23.214,263 23.214,264 23.214,265 20.8,266 28.183,267 14.083,268 23.747,269 18.283,270 18.283,271 18.283,272 18.283,273 18.283,274 14.735,275 34.374,276 6.612,277 19.103,278 4.672,279 2.636,280 1.463,281 0.871,282 0.708,283 0.708,284 4.244,289 1,290 1049,291 3.464,294 179.288,295 339.012,298 153.129,302 2.173,303 13.015,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 69.5,315 472,316 4.568,317 3.353,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.161,326 3.196,327 6.499,328 3.973,329 3.015,330 3.731,331 0.8,332 10.178,333 2.895,334 4.129,335 2.888,336 6.095,337 3.689,338 2.753,339 3.576,340 0.4,341 8.884,342 2.578,343 3.619,344 2.824,345 5.415,346 3.457,347 2.52,348 2.813,349 0.172,350 7.108,351 2.357,352 3.435,353 2.344,354 5.148,355 3.097,356 2.137,357 2.725,359 6.141,360 2.05,361 3.317,362 2.179,363 5.114,364 2.997,365 2.023,366 2.592,368 5.987,369 1.963,370 3.245,371 1.806,372 4.514,373 2.731,374 1.776,375 2.401,377 4.655,378 1.691,379 2.844,380 1.792,381 4.144,382 2.558,383 1.596,384 1.935,386 3.718,387 1.534,388 2.74,389 1.487,390 4.12,391 2.305,392 1.321,393 1.844,395 3.47,396 1.298,397 2.5,398 1.365,399 3.505,400 2.241,401 1.285,402 1.5,404 2.685,405 1.225,406 2.465,407 1.16,408 3.458,409 2.079,410 1.118,411 1.461,413 2.491,414 1.072,415 2.412,416 1.146,417 3.414,418 2,419 1,420 1.385,422 2.275,423 1,424 2.246,425 1,426 3.315,427 1.967,428 1,429 1.189,431 2.136,432 0.965,433 2.118,434 0.939,435 3.247,436 1.86,437 0.896,438 1,440 2.092,441 0.862,442 2,443 0.776,444 3.176,445 1.586,446 0.632,447 0.927,449 1.47,450 0.601,451 15.8,452 0.479,453 0.53,454 0.016,455 40.25,456 1.22,457 18,458 0.545,459 22.25,460 0.674,461 30.398,462 0.921,463 35.8,464 0.542,465 28.804,466 0.873,467 8.028,468 0.243,469 8.286,470 0.251,471 0.032,473 0.266,479 0.964,480 1.487,481 0.885,482 1.174,483 0.742,484 1.046,485 1.414,486 1.039,487 1.053,488 0.925,489 0.948,490 0.945,491 0.954,492 0.979,493 1.045,494 1.041,495 0.741,496 1.051,497 0.753,498 1.159,499 1.013,500 1.176,501 0.692,502 1.132,503 0.921,504 0.972,505 0.956,506 0.976,507 0.845,508 0.971,509 0.917,510 0.963,511 1.013,512 1.019,513 0.889,514 1.025,515 0.742,516 1.002,517 0.94,518 1.039,519 0.784,520 1.016,521 1.062,522 0.837,523 0.994,524 0.889,525 1.093,526 0.927,527 4.5,528 0.124,529 3.556,530 1.569,531 1.077,532 0.833,533 0.645,534 0.329,535 0.139,536 0.144,537 18661,538 40119,539 2.187,540 50,541 2,542 24,543 1,544 2,545 2,547 2,550 1.747,551 2.129,552 3.771,553 0.162,559 90.602,560 1.373,561 3.408,562 4.582,563 5.173,564 5.336,565 5.336,566 3.219,567 4.56,568 5.019,569 3.991,570 2107.06,571 8.755,572 33574.2,577 398.93,578 1.027,579 5.01,580 0.122,581 0.005,582 0.071,583 0.032,584 0.023,585 0.019,586 0.016,587 0.009,588 0.005,589 0.006,590 0.307,591 0.17,592 0.88,593 0.611,594 179.229,595 0.103,596 -0.221,597 0.086,598 -0.081,599 0.207,600 -0.013,601 -0.135,602 0.134,603 -0.05,604 0.074,605 -0.033,606 0.03,607 -0.047,608 0.064,609 -0.075,610 -0.011,611 0.01,612 -0.04,614 -0.18,615 -0.055,616 -0.139,617 0.067,618 -0.109,619 -0.004,620 -0.035,621 0.026,622 0.004,623 0.031,624 0.016,626 -0.018,627 -0.033,628 -0.036,629 -0.016,630 -0.038,631 0.099,632 -0.1,633 0.035,634 -0.057,635 0.07,636 -0.024,637 -0.063,638 0.068,639 -0.001,640 0.056,641 -0.121,642 0.038,643 0.885,644 0.928,645 0.788,646 37.675,647 0.988,648 1.135,649 3.356,650 11.264,651 0.651,652 3.638,653 3.932,654 4.234,655 4.5,656 4.673,657 4.745,658 4.89,659 4.99,660 4.997,661 5.024,662 8.55,663 0.606,664 443.66,665 3.638,666 5.165,667 6.019,668 6.887,669 7.756,670 8.63,671 9.505,672 10.383,673 11.26,674 12.14,675 10.6,677 1,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 66,716 21,717 2,718 37,720 70,721 26,722 16,723 4,724 8,730 5,731 6,743 3,745 16,746 10,764 33,765 5,766 2,767 7,773 7,777 0.8,788 1,792 2,793 3,796 1,814 1,815 2,819 4,823 1,827 33,833 8,834 1,837 1,838 2,844 1,854 15.5,855 11.75,856 7.389,857 4.083,858 3.505,859 1.427,860 1.008,861 7.055,862 11.718,863 3.882,864 4.443,865 5.042,866 5.627,867 6.061,868 6.387,869 6.833,870 7.237,871 7.412,872 7.619,873 1,874 49,875 12.188,877 5.078,878 7.399,879 24.297,881 20.309,883 1.899,884 62.667,888 364.904,889 142.039,890 76.27,895 142.039,896 364.904,897 76.27,898 8.396,899 17.703,900 102.868,901 74.105,902 36.634,903 13.915,904 329.591,906 364.904,907 218.309,911 341.362,912 23.542,915 77.884,916 107.099,917 33.326,919 364.904,920 76.27,921 142.039,924 364.904,925 31.548,926 118.639,927 34.796,928 33.326,929 364.904,930 76.27,931 142.039,933 0.566,934 0.338,935 0.193,936 0.101,937 24,938 9,939 0.129,940 9,941 1,942 1.077,943 4.635,944 299.412,945 0.077,946 26,947 152.465,951 22.146,952 10.513,953 5.136,954 2.482,955 57.585,956 23.024,957 7.853,958 3.428,961 3.89,962 1.951,963 34.796,964 583.213,965 47.5,975 65.199,976 74.886,977 0.227,978 0.564,979 0.758,980 0.856,981 0.883,982 0.883,983 5.101,984 1.596,985 5.969,986 4.655,987 4.615,988 5.13,989 1.331,990 6.758,991 4.533,992 6.265,993 1.321,994 7.505,995 3.718,996 4.007,997 4.732,998 0.57,999 7.618,1000 3.878,1001 7.545,1002 1.285,1003 9.146,1004 3.47,1005 6.176,1006 7.288,1007 0.904,1008 10.733,1009 6.017,1010 8.866,1011 1.118,1012 10.854,1013 2.685,1014 6.494,1015 7.87,1016 0.581,1017 12.481,1018 6.291,1019 10.226,1020 1,1021 12.604,1022 2.491,1023 8.034,1024 9.797,1025 0.684,1026 15.072,1027 7.807,1028 11.614,1029 1,1030 14.385,1031 2.275,1032 8.775,1033 10.846,1034 0.515,1035 17.162,1036 8.513,1037 13.023,1038 0.896,1039 16.186,1040 2.136,1041 10.06,1042 12.516,1043 0.542,1044 19.581,1045 9.776,1046 3.118,1047 0.632,1048 18.002,1049 2.092,1050 11,1051 13.795,1052 0.441,1053 21.808,1054 10.688,1055 3.015,1056 10.431,1057 19.829,1058 1.47,1059 12.179,1060 15.358,1061 0.438,1062 24.167,1063 11.845,1064 2.753,1065 10.178,1066 21.664,1067 4.518,1068 13.211,1069 16.751,1070 0.373,1071 26.451,1072 12.854,1073 2.52,1074 8.884,1075 23.506,1076 3.731,1077 14.348,1078 18.271,1079 0.358,1080 28.789,1081 13.971,1082 2.137,1083 7.108,1084 25.353,1085 3.576,1086 15.425,1087 19.719,1088 0.314,1089 31.098,1090 15.026,1091 2.023,1092 6.141,1093 27.205,1094 2.813,1095 16.546,1096 21.225,1097 0.296,1098 33.429,1099 16.129,1100 1.776,1101 5.987,1102 29.059,1103 2.725,1104 17.644,1105 22.7,1106 0.264,1107 35.75,1108 17.206,1109 17137,1110 25340,1111 25.83,1112 42.938,1113 55.239,1114 54.466,1115 55.434,1116 54.657,1117 54.671,1118 70.047,1119 4.578,1120 152.272,1121 52.423,1122 5.568,1123 5.353,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.174,1130 5.062,1131 8.1,1132 1.493,1133 1.472,1134 1.498,1135 1.477,1136 1.478,1137 1.893,1138 0.124,1139 4.115,1140 1.417,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.968,1148 4.017,1149 3.89,1150 3.88,1151 4.927,1152 3.876,1153 3.833,1154 3.907,1155 3.789,1156 3.639,1157 4.759,1158 3.65,1159 3.791,1160 3.853,1161 3.685,1162 3.575,1163 4.397,1164 3.61,1165 3.563,1166 3.643,1167 3.421,1168 3.389,1169 4.284,1170 3.389,1171 3.468,1172 3.552,1173 3.311,1174 3.274,1175 4.248,1176 3.274,1177 3.277,1178 3.349,1179 3.156,1180 3.098,1181 3.971,1182 3.101,1183 3.127,1184 3.22,1185 2.952,1186 2.941,1187 3.784,1188 2.914,1189 0.123,1190 0.091,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.353,1197 0.025,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.078,1210 2.078,1211 1.382,1212 2.081,1213 1.938,1214 1.904,1215 2.043,1216 2.049,1217 1.279,1218 2.047,1219 1.782,1220 1.717,1221 1.973,1222 1.953,1223 1.168,1224 1.966,1225 1.645,1226 1.586,1227 1.853,1228 1.821,1229 1.081,1230 1.835,1231 1.489,1232 1.406,1233 1.761,1234 1.747,1235 0.897,1236 1.758,1237 1.401,1238 1.329,1239 1.58,1240 1.659,1241 0.825,1242 1.638,1243 1.298,1244 1.224,1245 1.513,1246 1.515,1247 0.721,1248 1.52,1249 1.153,1250 1.064,1251 1.492,1252 1.442,1253 0.6,1254 1.429,1255 4.317,1257 5.617,1258 3.045,1259 7.112,1260 5.283,1261 8.697,1262 7.286,1263 10.331,1265 2.048,1271 8.904,1272 3.385,1275 0.449,1276 5.254,1280 39.998,1281 90.602,1282 224.928,1283 302.401,1284 341.42,1285 352.175,1286 352.175,1287 40.716,1288 8.213,1289 65.01,1290 65.01,1291 28,1292 12.676,1293 4.459,1294 3.524,1295 48.21,1296 175,1297 137,1298 0.133,1299 244.418,1300 406.2,1301 588.14,1302 50680,1304 22.46,1305 0.681,1306 0.585,1307 22.46,1308 19.321,1309 16.314,1310 0.441,1311 0.322,1312 11.763,1313 15.715,1314 11.503,1315 9.531,1316 16.314,1317 11.926,1318 13.941,1319 0.279,1320 0.178,1321 13.941,1322 8.878,1323 12.23,1324 0.18,1325 0.1,1326 12.23,1327 6.818,1328 10.421,1329 0.117,1330 0.056,1331 10.421,1332 4.986,1333 8.103,1334 0.076,1335 0.033,1336 8.103,1337 3.493,1338 0.217,1339 101.704,1340 0.197,1341 31.398,1342 0.342,1343 174,1344 400.891,1345 186.572,1346 398.197,1347 563.31,1348 378,1349 205,1350 429.673,1351 219.71,1352 438.647,1353 637.44,1354 413,1355 8.77} {0 CHEMBL349041,1 1.494,2 13.379,3 2.346,4 5.503,5 115.565,6 7.101,7 0.606,8 4.122,9 4.258,10 3.67,11 3.622,12 5.137,13 3.606,14 4.685,15 4.877,16 3.997,17 4.052,18 5.597,19 4.004,20 4.915,21 5.154,22 3.861,23 4.147,24 5.69,25 4.02,26 4.984,27 5.26,28 3.821,29 4.131,30 5.722,31 3.985,32 4.943,33 5.231,34 3.757,35 4.058,36 5.647,37 3.911,38 4.834,39 5.1,40 3.789,41 4.014,42 5.58,43 3.897,44 4.833,45 5.082,46 3.777,47 4.003,48 5.645,49 3.883,50 4.82,51 5.104,52 3.537,53 3.907,54 5.538,55 3.744,56 0.061,57 0.879,58 12.325,59 4.685,60 10.937,61 6.666,62 0.246,63 1.416,64 23.293,65 7.868,66 20.373,67 11.489,68 0.311,69 1.586,70 30.688,71 10.928,72 24.721,73 16.117,74 0.29,75 1.636,76 33.792,77 11.569,78 29.654,79 17.611,80 0.345,81 1.532,82 33.006,83 11.026,84 28.859,85 16.788,86 0.243,87 1.43,88 28.904,89 9.666,90 21.814,91 14.696,92 0.392,93 1.434,94 28.835,95 9.601,96 28.722,97 14.239,98 0.269,99 1.34,100 29.08,101 9.476,102 27.113,103 14.577,105 45,106 0.245,107 0.611,108 0.805,109 0.887,110 0.887,111 0.887,112 3.407,113 0.932,114 -3.82,115 -3.78,116 -3.59,119 40,121 2,122 1,125 5,140 5,141 2,142 1,149 2,150 2,158 2,164 1,169 6,171 2,172 7,176 4,178 4,182 3,184 1,186 5,189 4,193 6,195 1,197 1,199 4,203 7,206 2,211 4,215 4,220 1,222 4,225 2,226 4,229 2,231 3,233 3,237 1,242 1,244 2,248 2,249 3,253 1,254 1,256 3,259 1439,260 20.378,261 20.378,262 20.378,263 20.378,264 20.378,265 18.068,266 24.36,267 12.252,268 20.766,269 16.352,270 16.352,271 16.352,272 16.352,273 16.352,274 12.936,275 28.18,276 5.874,277 16.979,278 4.288,279 2.05,280 0.866,281 0.364,282 0.364,283 0.364,284 4.121,288 1,289 1,290 876,291 3,294 322.235,295 80.632,298 124.825,302 2.185,303 13.65,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 388,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.969,327 6.096,328 3.713,329 2.768,330 3.732,331 0.657,332 8.885,333 2.632,334 3.922,335 2.869,336 5.647,337 3.672,338 2.723,339 3.479,341 7.881,342 2.572,343 3.738,344 2.768,345 5.352,346 3.53,347 2.537,348 2.828,350 6.997,351 2.518,352 3.426,353 2.255,354 5.139,355 3.071,356 2.1,357 2.72,359 6.088,360 2.036,361 3.25,362 2.089,363 4.878,364 2.871,365 1.915,366 2.586,368 5.579,369 1.822,370 3.009,371 1.792,372 4.514,373 2.723,374 1.768,375 2.031,377 4.654,378 1.684,379 2.732,380 1.603,381 4.122,382 2.373,383 1.403,384 1.83,386 3.429,387 1.359,388 2.682,389 1.314,390 3.603,391 2.245,392 1.269,393 1.736,395 2.989,396 1.238,397 2.403,398 1.126,399 3.373,400 1.963,401 1,402 1.361,404 2.246,405 0.961,406 2.17,407 1.003,408 3.309,409 1.878,410 0.917,411 1.1,413 2.092,414 0.879,415 2.118,416 0.844,417 3.235,418 1.701,419 0.743,420 0.956,422 1.744,423 0.71,424 2.118,425 0.756,426 3.153,427 1.64,428 0.675,429 0.927,431 1.626,432 0.65,433 2.065,434 0.618,435 3.011,436 1.618,437 0.618,438 0.927,440 1.372,441 0.618,442 1.748,443 0.618,444 3,445 1.518,446 0.618,447 0.718,449 1.372,450 0.556,451 13.733,452 0.474,453 0.496,454 0.017,455 36,456 1.241,457 16,458 0.552,459 20,460 0.69,461 24.376,462 0.841,463 31.267,464 0.568,465 23.63,466 0.815,467 7.082,468 0.244,469 7.267,470 0.251,473 0.277,479 0.918,480 1.428,481 0.817,482 1.15,483 0.674,484 0.996,485 1.195,486 1.062,487 1.013,488 0.984,489 0.881,490 0.969,491 0.944,492 1.091,493 1.105,494 1.133,495 0.809,496 1.145,497 0.714,498 1.025,499 0.957,500 1.044,501 0.709,502 1.032,503 0.764,504 0.881,505 0.896,506 0.914,507 0.806,508 0.921,509 0.87,510 1.004,511 0.903,512 0.957,513 0.788,514 0.934,515 1.035,516 1.008,517 1.085,518 1.074,519 1.082,520 1.093,521 0.914,522 1.041,523 1.05,524 1.065,525 1.067,526 1.073,527 4.5,528 0.091,529 2.667,530 1.174,531 0.838,532 0.684,533 0.374,534 0.217,535 0.184,536 0.075,537 13771,538 32295,539 2.237,540 47.3,542 15,543 2,544 2,545 2,547 4,548 1,550 1.713,551 2.203,552 3.689,553 0.228,554 1,555 1,559 82.146,560 1.494,561 3.731,562 4.916,563 5.418,564 5.418,565 5.418,566 3.142,567 4.28,568 4.827,569 3.905,570 1585.35,571 8.372,572 22898.1,574 1,576 1,577 317.975,578 0.85,579 4.832,580 0.136,581 0.004,582 0.059,583 0.032,584 0.024,585 0.021,586 0.011,587 0.007,588 0.007,589 0.003,590 0.304,591 0.33,592 0.88,594 151.336,595 0.04,596 -0.189,597 0.087,598 -0.08,599 0.206,600 -0.005,601 -0.109,602 0.091,603 -0.063,604 0.021,605 0.013,606 -0.006,607 -0.065,608 -0.095,609 -0.151,610 -0.11,611 -0.007,612 -0.14,613 0.014,614 -0.083,615 0.01,616 -0.048,617 0.059,618 -0.025,619 0.041,620 0.036,621 0.088,622 0.068,623 0.03,624 0.08,625 -0.033,626 -0.041,627 0.07,628 0.037,629 0.019,630 0.064,631 0.037,632 -0.02,633 -0.102,634 -0.092,635 -0.084,636 -0.116,637 -0.072,638 -0.12,639 -0.067,640 -0.089,641 -0.147,642 -0.079,643 0.687,644 1.882,645 0.828,646 33.831,647 0.996,648 1.134,649 2.594,650 6.728,651 0.656,652 3.526,653 3.829,654 4.111,655 4.369,656 4.431,657 4.575,658 4.727,659 4.89,660 4.963,661 5.011,662 7.955,663 0.62,664 390.54,665 3.526,666 5.056,667 5.905,668 6.77,669 7.631,670 8.5,671 9.368,672 10.241,673 11.113,674 11.989,675 10.9,677 1,678 1,683 2,685 2,687 2,688 9,689 2,690 1,691 1,693 3,694 1,695 20,714 55,716 20,717 1,718 33,720 59,721 22,722 14,723 3,724 3,730 5,731 6,740 1,741 1,743 2,745 14,746 8,747 1,761 1,763 1,764 26,765 5,766 2,767 7,773 6,777 0.8,778 1,788 1,789 1,792 4,793 1,796 1,814 1,815 1,819 4,827 29,833 7,834 1,837 1,838 1,844 1,847 1.8,852 1,854 13.167,855 9.55,856 6.333,857 3.358,858 3.339,859 1.418,860 1.026,861 5.479,862 11.325,863 3.784,864 4.366,865 4.965,866 5.554,867 5.874,868 6.299,869 6.762,870 7.203,871 7.409,872 7.642,873 0.889,874 37,875 10.697,877 4.528,878 7.454,879 21.187,881 17.897,883 1.954,884 56.667,887 1,888 282.506,889 117.111,890 73.146,892 9.507,895 117.111,896 292.014,897 73.146,899 15.598,900 86.179,901 74.105,902 39.832,903 31.135,904 235.422,906 282.506,907 190.257,908 9.507,911 223.651,912 68.363,915 72.654,916 84.276,917 33.326,919 282.506,920 82.653,921 117.111,924 282.506,925 31.706,926 90.429,927 34.796,928 42.833,929 282.506,930 82.653,931 117.111,933 0.574,934 0.335,935 0.183,936 0.08,937 23,938 8,939 0.136,940 8,941 1,942 1.083,943 4.426,944 249.714,945 0.083,946 24,947 136.881,951 18.615,952 8.535,953 4.297,954 2.463,955 63.968,956 17.745,957 7.816,958 3.408,959 5.382,961 3.464,962 1.941,963 34.796,964 482.271,965 43,975 54.774,976 62.351,977 0.258,978 0.645,979 0.85,980 0.937,981 0.937,982 0.937,983 5.004,984 1.403,985 5.855,986 4.654,987 4.511,988 5.053,989 1.038,990 6.621,991 4.44,992 6.175,993 1.269,994 7.376,995 3.429,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.456,1002 1,1003 8.995,1004 2.989,1005 6.057,1006 7.23,1007 0.607,1008 10.497,1009 5.923,1010 8.779,1011 0.917,1012 10.677,1013 2.246,1014 6.365,1015 7.856,1016 0.268,1017 12.175,1018 6.207,1019 10.14,1020 0.743,1021 12.399,1022 2.092,1023 7.881,1024 9.748,1025 0.359,1026 14.738,1027 7.692,1028 11.528,1029 0.675,1030 14.151,1031 1.744,1032 8.605,1033 10.836,1034 0.188,1035 16.781,1036 8.394,1037 12.936,1038 0.618,1039 15.924,1040 1.626,1041 9.869,1042 12.478,1043 0.214,1044 19.176,1045 9.631,1046 3.119,1047 0.618,1048 17.713,1049 1.372,1050 10.791,1051 13.785,1052 0.125,1053 21.377,1054 10.533,1055 2.768,1056 10.433,1057 19.514,1058 1.372,1059 11.953,1060 15.33,1061 0.129,1062 23.721,1063 11.672,1064 2.723,1065 8.885,1066 21.326,1067 4.518,1068 12.969,1069 16.74,1070 0.082,1071 25.992,1072 12.671,1073 2.537,1074 7.881,1075 23.147,1076 3.732,1077 14.093,1078 18.252,1079 0.079,1080 28.321,1081 13.776,1082 2.1,1083 6.997,1084 24.974,1085 3.479,1086 15.156,1087 19.71,1088 0.054,1089 30.625,1090 14.823,1091 1.915,1092 6.088,1093 26.808,1094 2.828,1095 16.268,1096 21.211,1097 0.048,1098 32.954,1099 15.918,1100 1.768,1101 5.579,1102 28.647,1103 2.72,1104 17.356,1105 22.692,1106 0.035,1107 35.275,1108 16.992,1109 12463,1110 19246,1111 23.345,1112 36.103,1113 49.539,1114 48.86,1115 48.723,1116 49.052,1117 49.06,1118 63.743,1119 2.915,1120 136.553,1121 47.284,1122 5.53,1123 5.202,1124 6.224,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1132 1.501,1133 1.481,1134 1.476,1135 1.486,1136 1.487,1137 1.932,1138 0.088,1139 4.138,1140 1.433,1141 4.154,1142 4.192,1143 4.114,1144 4.061,1145 5.136,1146 4.069,1147 3.933,1148 3.98,1149 3.857,1150 3.773,1151 5.074,1152 3.785,1153 3.859,1154 3.909,1155 3.793,1156 3.699,1157 4.927,1158 3.707,1159 3.817,1160 3.877,1161 3.741,1162 3.577,1163 4.387,1164 3.617,1165 3.462,1166 3.536,1167 3.33,1168 3.305,1169 4.253,1170 3.305,1171 3.325,1172 3.403,1173 3.196,1174 3.114,1175 4.1,1176 3.122,1177 3.182,1178 3.27,1179 3.025,1180 2.976,1181 3.832,1182 2.977,1183 2.921,1184 3.013,1185 2.773,1186 2.769,1187 3.621,1188 2.762,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.095,1194 4.569,1195 0.137,1196 3.202,1197 0.024,1198 6.566,1199 0.316,1200 4.1,1201 0.093,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.316,1212 2.049,1213 1.718,1214 1.659,1215 1.935,1216 1.912,1217 1.268,1218 1.921,1219 1.677,1220 1.617,1221 1.876,1222 1.871,1223 1.115,1224 1.879,1225 1.538,1226 1.496,1227 1.734,1228 1.699,1229 0.944,1230 1.709,1231 1.44,1232 1.366,1233 1.647,1234 1.686,1235 0.878,1236 1.673,1237 1.379,1238 1.335,1239 1.571,1240 1.591,1241 0.618,1242 1.589,1243 1.36,1244 1.308,1245 1.514,1246 1.585,1247 0.584,1248 1.576,1249 1.078,1250 0.99,1251 1.368,1252 1.442,1253 0.517,1254 1.379,1255 4.205,1257 5.509,1258 3.714,1259 6.98,1260 5.938,1261 8.531,1262 7.895,1263 10.132,1271 7.62,1272 3.526,1275 0.716,1276 2.585,1280 34.111,1281 82.146,1282 205.232,1283 270.365,1284 297.975,1285 297.975,1286 297.975,1287 33.085,1288 7.987,1289 74.91,1290 74.91,1291 26,1292 12.529,1293 4.392,1294 3.459,1295 39.942,1296 139,1297 132,1298 0.137,1299 206.178,1300 337.43,1301 494.834,1302 38825,1304 19.468,1305 0.671,1306 0.566,1307 19.468,1308 16.42,1309 14.348,1310 0.435,1311 0.311,1312 10.096,1313 13.732,1314 9.926,1315 8.186,1316 14.348,1317 10.255,1318 12.583,1319 0.28,1320 0.174,1321 12.583,1322 7.829,1323 10.964,1324 0.183,1325 0.097,1326 10.964,1327 5.848,1328 9.242,1329 0.118,1330 0.054,1331 9.242,1332 4.242,1333 6.253,1334 0.075,1335 0.032,1336 6.253,1337 2.62,1338 0.223,1339 90.14,1340 0.207,1341 28.375,1342 0.352,1343 156,1344 396.982,1345 170.034,1346 386.034,1347 542.67,1348 366,1349 183,1350 414.854,1351 198.673,1352 418.884,1353 606.52,1354 394,1355 8.689} {0 CHEMBL349174,1 1.492,2 13.75,3 5.193,4 26.969,5 132.854,6 7.138,7 0.444,8 4.229,9 4.346,10 3.906,11 3.833,12 5.142,13 3.766,14 4.829,15 5.01,16 4.233,17 4.27,18 5.882,19 4.178,20 5.094,21 5.305,22 4.263,23 4.437,24 6.004,25 4.293,26 5.198,27 5.429,28 4.14,29 4.395,30 6.196,31 4.246,32 5.115,33 5.374,34 4.017,35 4.292,36 6.001,37 4.141,38 4.968,39 5.208,40 4.023,41 4.261,42 5.793,43 4.111,44 5.002,45 5.237,46 3.969,47 4.231,48 5.914,49 4.084,50 4.941,51 5.195,52 3.826,53 4.135,54 5.8,55 3.966,56 0.109,57 0.935,58 17.335,59 6.487,60 13.163,61 8.494,62 0.396,63 1.595,64 29.312,65 11.061,66 49.992,67 14.924,68 0.245,69 1.985,70 43.394,71 16.231,72 35.161,73 20.772,74 0.433,75 2.024,76 47.294,77 16.955,78 79.057,79 21.837,80 0.403,81 1.845,82 40.331,83 15,84 59.229,85 20.456,86 0.187,87 1.707,88 35.858,89 13.863,90 30.136,91 18.746,92 0.327,93 1.739,94 36.792,95 13.144,96 50.897,97 17.773,98 0.301,99 1.599,100 34.364,101 12.72,102 41.291,103 17.358,104 10,105 52,106 0.237,107 0.556,108 0.758,109 0.838,110 0.838,111 0.838,112 3.502,113 1.086,114 -4.42,115 -4.35,116 -4.1,119 41.3,120 1,121 4,125 5,134 1,135 1,140 7,141 4,142 1,149 1,150 1,169 15,171 3,172 5,176 3,178 17,182 8,186 3,189 15,193 12,197 1,199 10,203 8,206 1,208 1,211 10,215 9,220 2,222 10,226 7,231 2,233 8,237 7,240 1,244 13,249 2,256 14,259 1786,260 21.72,261 21.72,262 21.72,263 21.72,264 21.72,265 19.352,266 22.332,267 12.576,268 22.095,269 17.751,270 17.751,271 17.751,272 17.751,273 17.751,274 14.072,275 20.855,276 5.951,277 18.371,278 4.485,279 2.483,280 1.213,281 0.71,282 0.71,283 0.71,284 4.209,289 1,290 976,291 3.536,294 175.712,295 309.77,298 142.894,302 2.156,303 28.537,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 440,316 4.932,317 4.726,318 7.666,319 4.435,320 3.512,321 4.759,322 0.8,323 13.611,324 3.218,325 4.568,326 3.199,327 6.566,328 4.106,329 3.117,330 4.515,331 0.657,332 10.433,333 3.082,334 4.102,335 2.976,336 6.098,337 3.737,338 2.746,339 3.552,341 8.891,342 2.721,343 3.852,344 2.831,345 5.588,346 3.466,347 2.534,348 3.407,350 7.027,351 2.428,352 3.56,353 2.603,354 5.368,355 3.432,356 2.438,357 2.751,359 6.8,360 2.357,361 3.372,362 2.44,363 5.106,364 3.022,365 2.052,366 2.508,368 5.956,369 1.992,370 3.241,371 2.144,372 5.01,373 2.909,374 1.943,375 2.445,377 5.797,378 1.863,379 3.063,380 1.699,381 4.503,382 2.561,383 1.572,384 2.257,386 4.477,387 1.553,388 2.739,389 1.457,390 4.201,391 2.334,392 1.349,393 1.817,395 3.647,396 1.326,397 2.604,398 1.397,399 4.069,400 2.224,401 1.256,402 1.556,404 3.26,405 1.212,406 2.5,407 1.331,408 3.52,409 2.11,410 1.13,411 1.5,413 2.737,414 1.105,415 2.343,416 1.225,417 3.414,418 2,419 1,420 1.325,422 2.275,423 1,424 2.136,425 1,426 3.414,427 1.984,428 1,429 1.048,431 2.275,432 0.983,433 2.05,434 0.849,435 3.263,436 1.721,437 0.762,438 0.987,440 1.797,441 0.729,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.7,452 0.491,453 0.841,454 0.026,455 38.75,456 1.211,457 18.5,458 0.578,459 20.25,460 0.633,461 30.473,462 0.952,463 34.7,464 0.551,465 29.123,466 0.91,467 7.125,468 0.223,469 8.378,470 0.262,471 0.074,472 0.053,473 0.274,479 0.545,480 1.349,481 0.869,482 1.204,483 0.626,484 1.006,485 0.77,486 1.011,487 0.872,488 0.881,489 0.518,490 0.921,491 0.899,492 1.149,493 1.248,494 1.24,495 0.72,496 1.104,497 1.496,498 1.052,499 1.177,500 1.095,501 1.668,502 1.058,503 1.176,504 0.868,505 0.813,506 0.808,507 1.333,508 0.902,509 0.602,510 1.112,511 0.954,512 1.07,513 0.468,514 1.021,515 1.241,516 1.078,517 1.084,518 1.029,519 1.105,520 1.08,521 0.992,522 0.991,523 0.971,524 0.987,525 0.921,526 1.058,527 7,528 0.204,529 4.889,530 2.201,531 1.343,532 1.166,533 0.745,534 0.421,535 0.297,536 0.261,537 16108,538 34340,539 2.147,540 49.2,541 3,542 18,543 1,545 1,547 8,550 1.741,551 2.032,552 3.713,553 -0.403,559 94.022,560 1.492,561 3.494,562 4.764,563 5.267,564 5.267,565 5.267,566 3.225,567 4.328,568 4.968,569 3.902,570 1935.23,571 8.672,572 28835.1,577 376.569,578 1.438,579 4.937,580 0.194,581 0.007,582 0.094,583 0.043,584 0.03,585 0.028,586 0.018,587 0.011,588 0.009,589 0.009,590 0.444,591 0.17,592 0.88,593 0.476,594 170.075,595 0.153,596 -0.149,597 0.217,598 -0.056,599 -0.112,600 0.031,601 0.22,602 0.12,603 0.083,604 0.106,605 0.252,606 0.053,607 -0.035,608 -0.085,609 -0.093,610 -0.123,611 0.067,612 -0.089,613 -0.15,614 -0.082,615 -0.128,616 -0.083,617 -0.09,618 -0.082,619 -0.065,620 0.065,621 0.051,622 0.095,623 -0.108,624 0.065,625 0.04,626 -0.109,627 0.015,628 -0.059,629 0.055,630 -0.011,631 -0.155,632 -0.059,633 -0.133,634 -0.079,635 -0.069,636 -0.117,637 -0.052,638 -0.015,639 -0.06,640 -0.052,641 -0.02,642 -0.085,643 4.37,644 5.996,645 0.813,646 37.164,647 0.991,648 1.121,649 3.189,650 10.172,651 0.67,652 3.611,653 3.97,654 4.263,655 4.489,656 4.673,657 4.82,658 4.977,659 5.081,660 5.193,661 5.38,662 7.88,663 0.62,664 449.67,665 3.611,666 5.176,667 6.043,668 6.93,669 7.812,670 8.704,671 9.59,672 10.486,673 11.376,674 12.273,675 4.8,678 2,683 1,687 2,688 8,690 1,693 4,695 16,714 63,716 19,717 2,718 36,720 67,721 26,722 14,723 5,724 7,725 2,730 5,731 6,736 1,740 3,743 4,745 16,746 10,750 3,753 1,755 2,757 1,759 1,764 31,765 4,766 1,767 6,768 1,773 3,777 0.8,778 2,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 1,827 32,830 1,833 9,838 2,847 3.2,850 2,854 15.75,855 11.4,856 6.833,857 4.047,858 3.345,859 1.405,860 1.032,861 6.045,862 11.613,863 3.871,864 4.508,865 5.074,866 5.608,867 6.108,868 6.476,869 6.858,870 7.166,871 7.364,872 7.748,873 1,874 51,875 12.146,877 5.475,878 7.581,879 23.689,881 20.662,883 2.081,884 66.583,888 353.133,889 139.167,890 21.428,892 44.313,894 5.807,895 133.359,896 397.446,897 21.428,898 8.825,899 20.667,900 90.665,901 44.313,902 38.294,903 13.915,904 341.362,906 353.133,907 154.788,908 44.313,909 5.807,911 258.964,912 138.482,915 50.92,916 94.391,917 15.284,919 353.133,920 65.741,921 139.167,923 5.807,924 353.133,925 39.677,926 98.325,927 16.786,928 44.313,929 353.133,930 65.741,931 139.167,933 0.594,934 0.35,935 0.177,936 0.088,937 27,938 11,939 0.09,940 6,941 1,942 1.077,943 4.423,944 297.715,945 0.077,946 26,947 150,950 1,951 21.604,952 8.955,953 4.494,954 2.461,955 48.956,956 15.841,958 3.417,961 4.002,963 16.786,964 558.041,965 47,968 -3.453,970 25.992,972 2.076,974 1.231,975 62.407,976 70.647,977 0.25,978 0.585,979 0.797,980 0.881,981 0.881,982 0.881,983 5.136,984 1.572,985 6.057,986 5.797,987 4.654,988 5.196,989 1.038,990 6.919,991 4.586,992 6.366,993 1.349,994 7.657,995 4.477,996 4.369,997 5.255,998 0.325,999 8.132,1000 4.226,1001 7.718,1002 1.256,1003 9.374,1004 3.647,1005 6.337,1006 7.518,1007 0.607,1008 11.208,1009 6.179,1010 9.116,1011 1.13,1012 11.169,1013 3.26,1014 6.919,1015 8.449,1016 0.268,1017 13.321,1018 6.667,1019 10.554,1020 1,1021 13.017,1022 2.737,1023 8.373,1024 10.23,1025 0.359,1026 16.015,1027 8.097,1028 12.022,1029 1,1030 14.905,1031 2.275,1032 9.325,1033 11.518,1034 0.188,1035 18.446,1036 8.951,1037 13.513,1038 0.762,1039 16.823,1040 2.275,1041 10.61,1042 13.14,1043 0.214,1044 21.058,1045 10.191,1046 3.512,1047 0.618,1048 18.764,1049 1.797,1050 11.721,1051 14.574,1052 0.125,1053 23.599,1054 11.207,1055 3.117,1056 13.611,1057 20.723,1058 1.372,1059 12.956,1060 16.141,1061 0.129,1062 26.198,1063 12.38,1064 2.746,1065 10.433,1066 22.697,1067 4.759,1068 14.136,1069 17.637,1070 0.082,1071 28.778,1072 13.466,1073 2.534,1074 8.891,1075 24.683,1076 4.515,1077 15.362,1078 19.186,1079 0.079,1080 31.379,1081 14.617,1082 2.438,1083 7.027,1084 26.678,1085 3.552,1086 16.572,1087 20.708,1088 0.054,1089 33.975,1090 15.737,1091 2.052,1092 6.8,1093 28.681,1094 3.407,1095 17.802,1096 22.251,1097 0.048,1098 36.579,1099 16.883,1100 1.943,1101 5.956,1102 30.69,1103 2.751,1104 19.028,1105 23.786,1106 0.035,1107 39.183,1108 18.018,1109 14859,1110 21928,1111 24.444,1112 42.233,1113 54.629,1114 55.62,1115 55.107,1116 54.798,1117 54.753,1118 70.892,1119 2.915,1120 162.38,1121 53.012,1122 5.883,1123 6.726,1124 7.296,1125 5.483,1126 5.512,1127 7.759,1128 1.457,1129 21.573,1130 5.218,1131 13.083,1132 1.517,1133 1.545,1134 1.531,1135 1.522,1136 1.521,1137 1.969,1138 0.081,1139 4.511,1140 1.473,1141 4.164,1142 4.19,1143 4.743,1144 4.11,1145 7.715,1146 4.086,1147 4.075,1148 4.067,1149 4.1,1150 4.038,1151 6.999,1152 3.981,1153 3.849,1154 3.917,1155 3.747,1156 3.722,1157 4.966,1158 3.714,1159 3.8,1160 3.847,1161 3.708,1162 3.671,1163 4.704,1164 3.666,1165 3.598,1166 3.593,1167 3.648,1168 3.536,1169 4.47,1170 3.474,1171 3.404,1172 3.455,1173 3.284,1174 3.298,1175 4.337,1176 3.274,1177 3.219,1178 3.298,1179 3.069,1180 3.033,1181 4.135,1182 3.029,1183 3.04,1184 3.131,1185 2.85,1186 2.874,1187 3.844,1188 2.847,1189 0.137,1190 0.131,1191 0.213,1192 0.123,1193 0.098,1194 4.932,1195 0.132,1196 4.726,1197 0.022,1198 7.666,1199 0.378,1200 4.435,1201 0.089,1202 3.512,1203 4.759,1204 0.8,1205 13.611,1206 3.218,1207 2.014,1208 2.007,1209 2.088,1210 2.095,1211 1.358,1212 2.121,1213 1.958,1214 1.949,1215 2.024,1216 2.02,1217 1.252,1218 2.04,1219 1.753,1220 1.714,1221 1.916,1222 1.894,1223 1.211,1224 1.909,1225 1.669,1226 1.611,1227 1.86,1228 1.867,1229 1.17,1230 1.871,1231 1.577,1232 1.507,1233 1.848,1234 1.751,1235 1.065,1236 1.793,1237 1.437,1238 1.443,1239 1.639,1240 1.661,1241 0.874,1242 1.662,1243 1.415,1244 1.35,1245 1.526,1246 1.551,1247 0.754,1248 1.602,1249 1.128,1250 1.05,1251 1.435,1252 1.355,1253 0.674,1254 1.386,1255 4.29,1257 5.638,1258 3.045,1259 7.177,1260 5.283,1261 8.799,1262 7.273,1263 10.465,1265 1.964,1271 8.922,1276 4.132,1280 39.056,1281 94.022,1282 220.149,1283 300.162,1284 331.814,1285 331.814,1286 331.814,1287 56.395,1288 8.268,1289 56.41,1290 64.79,1291 28,1292 12.798,1293 4.322,1294 3.585,1295 45.944,1296 152,1297 150,1298 0.146,1299 239.291,1300 411.83,1301 575.631,1302 50752,1304 22.131,1305 0.692,1306 0.609,1307 22.381,1308 19.496,1309 15.503,1310 0.431,1311 0.362,1312 11.613,1313 14.342,1314 11.193,1315 9.232,1316 16.292,1317 13.032,1318 14.452,1319 0.278,1320 0.211,1321 15.771,1322 10.966,1323 12.582,1324 0.18,1325 0.125,1326 13.922,1327 8.744,1328 10.088,1329 0.115,1330 0.071,1331 11.165,1332 6.241,1333 7.602,1334 0.072,1335 0.041,1336 8.516,1337 4.301,1338 0.235,1339 103.525,1340 0.202,1341 30.315,1342 0.388,1343 176,1344 419.955,1345 226.412,1346 434.301,1347 604.33,1348 404,1349 210,1350 425.118,1351 269.004,1352 472.621,1353 694.57,1354 445,1355 7.921} {0 CHEMBL349185,1 1.494,2 13.379,3 2.054,4 4.221,5 115.687,6 7.101,7 0.606,8 4.122,9 4.258,10 3.67,11 3.622,12 5.14,13 3.606,14 4.685,15 4.877,16 3.992,17 4.057,18 5.591,19 4.008,20 4.908,21 5.148,22 3.86,23 4.158,24 5.672,25 4.026,26 5.006,27 5.286,28 3.823,29 4.136,30 5.745,31 3.987,32 4.934,33 5.22,34 3.755,35 4.062,36 5.636,37 3.913,38 4.841,39 5.109,40 3.782,41 4.022,42 5.579,43 3.903,44 4.826,45 5.076,46 3.776,47 4.014,48 5.629,49 3.89,50 4.85,51 5.137,52 3.551,53 3.897,54 5.575,55 3.739,56 0.061,57 0.879,58 12.325,59 4.685,60 11.437,61 6.666,62 0.263,63 1.419,64 23.326,65 7.877,66 20.455,67 11.496,68 0.202,69 1.604,70 30.078,71 11.019,72 20.882,73 16.361,74 0.377,75 1.648,76 34.872,77 11.716,78 33.159,79 17.874,80 0.316,81 1.529,82 32.496,83 11.076,84 27.102,85 16.849,86 0.262,87 1.439,88 29.194,89 9.752,90 23.151,91 14.829,92 0.283,93 1.453,94 28.224,95 9.692,96 25.383,97 14.484,98 0.375,99 1.34,100 30.464,101 9.535,102 30.376,103 14.63,105 45,106 0.245,107 0.61,108 0.81,109 0.887,110 0.887,111 0.887,112 3.407,113 0.931,114 -3.82,115 -3.78,116 -3.59,119 40,121 2,122 1,125 5,140 4,141 3,142 1,149 3,150 1,158 2,164 1,169 6,171 2,172 7,176 5,178 4,182 3,186 5,189 4,193 6,195 2,199 5,203 6,206 2,211 5,215 5,220 1,222 3,225 1,226 5,229 2,231 3,233 2,236 1,242 1,244 3,248 2,249 2,253 1,254 1,256 4,259 1439,260 20.378,261 20.378,262 20.378,263 20.378,264 20.378,265 18.068,266 24.36,267 12.252,268 20.766,269 16.352,270 16.352,271 16.352,272 16.352,273 16.352,274 12.936,275 28.18,276 5.874,277 16.979,278 4.288,279 2.057,280 0.836,281 0.364,282 0.364,283 0.364,284 4.121,288 1,289 1,290 876,291 3,294 322.235,295 80.632,298 124.825,302 2.185,303 13.221,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 388,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.969,327 6.096,328 3.713,329 2.768,330 3.732,331 0.657,332 8.885,333 2.632,334 3.922,335 2.869,336 5.647,337 3.672,338 2.723,339 3.479,341 7.881,342 2.572,343 3.738,344 2.768,345 5.352,346 3.53,347 2.537,348 2.828,350 6.997,351 2.518,352 3.426,353 2.255,354 5.139,355 3.071,356 2.1,357 2.72,359 6.088,360 2.036,361 3.25,362 2.089,363 4.878,364 2.871,365 1.915,366 2.586,368 5.579,369 1.822,370 3.009,371 1.792,372 4.514,373 2.723,374 1.768,375 2.031,377 4.654,378 1.684,379 2.732,380 1.603,381 4.122,382 2.373,383 1.403,384 1.83,386 3.429,387 1.359,388 2.682,389 1.314,390 3.603,391 2.245,392 1.269,393 1.736,395 2.989,396 1.238,397 2.403,398 1.126,399 3.373,400 1.963,401 1,402 1.361,404 2.246,405 0.961,406 2.17,407 1.003,408 3.309,409 1.878,410 0.917,411 1.1,413 2.092,414 0.879,415 2.118,416 0.844,417 3.235,418 1.701,419 0.743,420 0.956,422 1.744,423 0.71,424 2.118,425 0.756,426 3.153,427 1.64,428 0.675,429 0.927,431 1.626,432 0.65,433 2.065,434 0.618,435 3.011,436 1.618,437 0.618,438 0.927,440 1.372,441 0.618,442 1.748,443 0.618,444 3,445 1.518,446 0.618,447 0.718,449 1.372,450 0.556,451 13.733,452 0.474,453 0.496,454 0.017,455 36,456 1.241,457 16,458 0.552,459 20,460 0.69,461 24.357,462 0.84,463 31.267,464 0.568,465 23.649,466 0.815,467 7.074,468 0.244,469 7.274,470 0.251,473 0.277,479 0.918,480 1.428,481 0.817,482 1.15,483 0.651,484 0.996,485 1.223,486 1.029,487 1.026,488 0.946,489 0.906,490 0.953,491 0.759,492 1.175,493 1.087,494 1.215,495 0.69,496 1.196,497 0.743,498 0.953,499 0.951,500 0.981,501 0.733,502 0.991,503 0.666,504 0.909,505 0.886,506 0.95,507 0.737,508 0.946,509 0.886,510 0.969,511 0.906,512 0.918,513 0.802,514 0.913,515 0.831,516 1.1,517 1.065,518 1.164,519 0.931,520 1.148,521 1.096,522 0.956,523 1.055,524 0.986,525 1.184,526 1.015,527 4.5,528 0.091,529 2.667,530 1.174,531 0.838,532 0.684,533 0.374,534 0.217,535 0.184,536 0.075,537 13771,538 32535,539 2.237,540 47.3,542 14,543 3,544 2,545 2,547 4,548 1,550 1.713,551 2.203,552 3.689,553 0.228,554 1,555 1,559 82.146,560 1.494,561 3.724,562 4.945,563 5.418,564 5.418,565 5.418,566 3.142,567 4.28,568 4.827,569 3.905,570 1585.35,571 8.372,572 22898.1,574 1,576 1,577 317.975,578 0.85,579 4.832,580 0.136,581 0.004,582 0.059,583 0.032,584 0.024,585 0.021,586 0.011,587 0.007,588 0.007,589 0.003,590 0.304,591 0.33,592 0.88,594 151.336,595 0.04,596 -0.189,597 0.087,598 -0.08,599 0.23,600 -0.005,601 -0.138,602 0.124,603 -0.075,604 0.059,605 -0.016,606 0.01,607 -0.068,608 -0.167,609 -0.152,610 -0.182,612 -0.179,613 0.05,614 -0.022,615 0.025,616 0.007,617 0.076,618 0.011,619 0.067,620 0.012,621 0.088,622 0.041,623 0.055,624 0.062,625 -0.052,626 -0.01,627 0.068,628 0.075,629 0.004,630 0.086,631 0.033,632 -0.098,633 -0.102,634 -0.17,635 -0.058,636 -0.159,637 -0.048,638 -0.055,639 -0.048,640 -0.027,641 -0.15,642 -0.037,643 0.614,644 1.622,645 0.828,646 33.831,647 0.996,648 1.134,649 2.594,650 6.728,651 0.656,652 3.526,653 3.829,654 4.111,655 4.369,656 4.431,657 4.575,658 4.727,659 4.89,660 4.963,661 5.011,662 7.955,663 0.62,664 390.54,665 3.526,666 5.056,667 5.905,668 6.77,669 7.631,670 8.5,671 9.368,672 10.241,673 11.113,674 11.989,675 10.9,677 1,678 1,683 2,685 2,687 2,688 9,689 2,690 1,691 1,693 3,694 1,695 20,714 55,716 20,717 1,718 33,720 59,721 22,722 14,723 3,724 3,730 5,731 6,740 1,741 1,743 2,745 14,746 8,747 1,761 1,763 1,764 26,765 5,766 2,767 7,773 6,777 0.8,778 1,788 1,789 1,792 4,793 1,796 1,814 1,815 1,819 4,827 29,833 7,834 1,837 1,838 1,844 1,847 1.8,852 1,854 13.167,855 9.55,856 6.333,857 3.344,858 3.339,859 1.418,860 1.026,861 5.479,862 11.325,863 3.784,864 4.366,865 4.965,866 5.554,867 5.874,868 6.299,869 6.762,870 7.203,871 7.409,872 7.642,873 0.889,874 37,875 10.693,877 4.524,878 7.454,879 21.187,881 17.909,883 1.954,884 56.667,888 282.506,889 117.111,890 73.146,892 9.507,895 117.111,896 292.014,897 73.146,899 15.598,900 88.442,901 74.105,902 43.017,903 37.457,904 223.651,906 282.506,907 190.257,908 9.507,911 223.651,912 68.363,915 72.654,916 84.276,917 33.326,919 282.506,920 82.653,921 117.111,924 282.506,925 29.443,926 92.692,927 34.796,928 42.833,929 282.506,930 82.653,931 117.111,933 0.574,934 0.335,935 0.183,936 0.08,937 23,938 8,939 0.136,940 8,941 1,942 1.083,943 4.426,944 249.714,945 0.083,946 24,947 136.881,951 18.615,952 8.535,953 4.297,954 2.466,955 63.968,956 17.621,957 7.817,958 3.409,959 5.122,961 3.676,962 1.942,963 34.796,964 482.271,965 43,975 54.774,976 62.351,977 0.258,978 0.644,979 0.855,980 0.937,981 0.937,982 0.937,983 5.004,984 1.403,985 5.855,986 4.654,987 4.511,988 5.053,989 1.038,990 6.621,991 4.44,992 6.175,993 1.269,994 7.376,995 3.429,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.456,1002 1,1003 8.995,1004 2.989,1005 6.057,1006 7.23,1007 0.607,1008 10.497,1009 5.923,1010 8.779,1011 0.917,1012 10.677,1013 2.246,1014 6.365,1015 7.856,1016 0.268,1017 12.175,1018 6.207,1019 10.14,1020 0.743,1021 12.399,1022 2.092,1023 7.881,1024 9.748,1025 0.359,1026 14.738,1027 7.692,1028 11.528,1029 0.675,1030 14.151,1031 1.744,1032 8.605,1033 10.836,1034 0.188,1035 16.781,1036 8.394,1037 12.936,1038 0.618,1039 15.924,1040 1.626,1041 9.869,1042 12.478,1043 0.214,1044 19.176,1045 9.631,1046 3.119,1047 0.618,1048 17.713,1049 1.372,1050 10.791,1051 13.785,1052 0.125,1053 21.377,1054 10.533,1055 2.768,1056 10.433,1057 19.514,1058 1.372,1059 11.953,1060 15.33,1061 0.129,1062 23.721,1063 11.672,1064 2.723,1065 8.885,1066 21.326,1067 4.518,1068 12.969,1069 16.74,1070 0.082,1071 25.992,1072 12.671,1073 2.537,1074 7.881,1075 23.147,1076 3.732,1077 14.093,1078 18.252,1079 0.079,1080 28.321,1081 13.776,1082 2.1,1083 6.997,1084 24.974,1085 3.479,1086 15.156,1087 19.71,1088 0.054,1089 30.625,1090 14.823,1091 1.915,1092 6.088,1093 26.808,1094 2.828,1095 16.268,1096 21.211,1097 0.048,1098 32.954,1099 15.918,1100 1.768,1101 5.579,1102 28.647,1103 2.72,1104 17.356,1105 22.692,1106 0.035,1107 35.275,1108 16.992,1109 12463,1110 19315,1111 23.345,1112 36.103,1113 49.539,1114 48.86,1115 48.723,1116 49.052,1117 49.06,1118 63.743,1119 2.915,1120 136.553,1121 47.284,1122 5.53,1123 5.202,1124 6.224,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1132 1.501,1133 1.481,1134 1.476,1135 1.486,1136 1.487,1137 1.932,1138 0.088,1139 4.138,1140 1.433,1141 4.154,1142 4.192,1143 4.114,1144 4.061,1145 5.137,1146 4.069,1147 3.934,1148 3.981,1149 3.856,1150 3.782,1151 5.088,1152 3.792,1153 3.859,1154 3.91,1155 3.793,1156 3.702,1157 4.927,1158 3.708,1159 3.817,1160 3.878,1161 3.741,1162 3.576,1163 4.393,1164 3.617,1165 3.461,1166 3.533,1167 3.329,1168 3.304,1169 4.255,1170 3.303,1171 3.322,1172 3.397,1173 3.195,1174 3.096,1175 4.128,1176 3.109,1177 3.18,1178 3.267,1179 3.024,1180 2.962,1181 3.838,1182 2.966,1183 2.914,1184 3.002,1185 2.771,1186 2.763,1187 3.625,1188 2.757,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.095,1194 4.569,1195 0.137,1196 3.202,1197 0.024,1198 6.566,1199 0.316,1200 4.1,1201 0.093,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.317,1212 2.049,1213 1.728,1214 1.67,1215 1.94,1216 1.911,1217 1.268,1218 1.923,1219 1.678,1220 1.618,1221 1.877,1222 1.871,1223 1.115,1224 1.879,1225 1.567,1226 1.523,1227 1.761,1228 1.7,1229 0.99,1230 1.723,1231 1.439,1232 1.364,1233 1.645,1234 1.688,1235 0.888,1236 1.674,1237 1.375,1238 1.31,1239 1.518,1240 1.591,1241 0.589,1242 1.582,1243 1.264,1244 1.249,1245 1.462,1246 1.573,1247 0.559,1248 1.526,1249 1.088,1250 1.001,1251 1.376,1252 1.442,1253 0.477,1254 1.379,1255 4.205,1257 5.509,1258 3.714,1259 6.98,1260 5.938,1261 8.531,1262 7.895,1263 10.132,1271 7.736,1272 3.56,1275 0.727,1276 2.59,1280 34.111,1281 82.146,1282 204.842,1283 271.975,1284 297.975,1285 297.975,1286 297.975,1287 32.954,1288 7.987,1289 74.91,1290 74.91,1291 26,1292 12.529,1293 4.392,1294 3.459,1295 39.942,1296 139,1297 132,1298 0.137,1299 206.178,1300 337.43,1301 494.834,1302 38825,1304 19.468,1305 0.671,1306 0.566,1307 19.468,1308 16.42,1309 14.348,1310 0.435,1311 0.31,1312 10.081,1313 13.727,1314 9.905,1315 8.177,1316 14.348,1317 10.242,1318 12.583,1319 0.28,1320 0.175,1321 12.583,1322 7.881,1323 10.964,1324 0.183,1325 0.098,1326 10.964,1327 5.877,1328 9.242,1329 0.118,1330 0.054,1331 9.242,1332 4.243,1333 6.253,1334 0.075,1335 0.032,1336 6.253,1337 2.622,1338 0.223,1339 90.232,1340 0.207,1341 28.375,1342 0.352,1343 156,1344 396.982,1345 169.369,1346 386.472,1347 541.41,1348 366,1349 183,1350 410.945,1351 198.285,1352 417.198,1353 602.68,1354 391,1355 8.886} {0 CHEMBL349390,1 1.477,2 16.382,3 2.071,4 4.289,5 136.256,6 7.041,7 0.553,8 4.271,9 4.412,10 3.799,11 3.783,12 5.304,13 3.758,14 4.825,15 5.022,16 4.134,17 4.205,18 5.787,19 4.148,20 5.078,21 5.311,22 4.063,23 4.335,24 5.94,25 4.216,26 5.165,27 5.44,28 4.014,29 4.325,30 5.959,31 4.18,32 5.12,33 5.4,34 3.948,35 4.254,36 5.914,37 4.107,38 5.027,39 5.299,40 3.924,41 4.2,42 5.808,43 4.068,44 4.997,45 5.26,46 3.903,47 4.18,48 5.781,49 4.043,50 5.001,51 5.283,52 3.742,53 4.102,54 5.778,55 3.941,56 0.077,57 1.033,58 14.465,59 5.501,60 11.865,61 7.951,62 0.298,63 1.649,64 26.908,65 9.291,66 27.835,67 13.798,68 0.308,69 1.911,70 35.92,71 12.717,72 39.014,73 18.799,74 0.327,75 1.967,76 40.362,77 14.061,78 42.245,79 21.316,80 0.366,81 1.842,82 39.009,83 13.472,84 45,85 20.296,86 0.33,87 1.726,88 35.263,89 11.995,90 36.105,91 18.176,92 0.317,93 1.718,94 33.743,95 11.683,96 31.252,97 17.692,98 0.366,99 1.627,100 34.754,101 11.342,102 43.597,103 17.501,104 7,105 52,106 0.233,107 0.59,108 0.788,109 0.865,110 0.872,111 0.872,112 3.56,113 0.938,114 -4.44,115 -4.37,116 -4.12,119 40,120 1,121 2,122 1,125 5,140 7,141 3,142 2,149 1,150 1,156 1,158 2,164 1,169 9,171 2,172 6,174 1,176 8,178 8,182 3,186 8,189 6,193 8,195 1,197 3,199 7,203 8,206 2,211 8,215 5,219 1,220 1,222 7,225 1,226 5,229 2,231 3,233 4,237 2,240 1,242 3,244 3,248 2,249 2,253 1,254 2,256 5,259 2316,260 23.394,261 23.394,262 23.394,263 23.394,264 23.394,265 20.776,266 31.199,267 13.987,268 23.804,269 18.819,270 18.819,271 18.819,272 18.819,273 18.819,274 14.898,275 37.939,276 6.713,277 19.482,278 4.545,279 2.287,280 1.033,281 0.546,282 0.504,283 0.504,284 4.269,289 1,290 1233,291 3.674,294 288.322,295 230.526,298 157.657,302 2.654,303 19.137,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72.5,315 557,316 4.569,317 3.533,318 6.566,319 4.1,320 3.119,321 4.518,322 1.907,323 10.433,324 3.062,325 4.129,326 3.202,327 6.096,328 3.715,329 2.768,330 3.732,331 0.8,332 8.885,333 2.652,334 4.059,335 2.97,336 5.647,337 3.68,338 2.726,339 3.648,340 0.657,341 7.881,342 2.618,343 3.742,344 2.869,345 5.532,346 3.657,347 2.682,348 2.9,349 0.149,350 7.515,351 2.569,352 3.633,353 2.804,354 5.203,355 3.322,356 2.335,357 2.828,359 6.588,360 2.299,361 3.426,362 2.392,363 5.138,364 3.071,365 2.098,366 2.719,368 6.087,369 2.036,370 3.271,371 2.235,372 4.877,373 2.898,374 1.921,375 2.586,377 5.577,378 1.887,379 3.249,380 2.075,381 4.514,382 2.84,383 1.84,384 2.451,386 4.654,387 1.806,388 2.994,389 1.792,390 4.399,391 2.722,392 1.767,393 2.014,395 4.51,396 1.683,397 2.726,398 1.422,399 4.122,400 2.255,401 1.279,402 1.823,404 3.428,405 1.247,406 2.5,407 1.302,408 3.465,409 2.085,410 1.145,411 1.5,413 2.55,414 1.073,415 2.404,416 1.02,417 3.414,418 2,419 1,420 1.364,422 2.275,423 1,424 2.232,425 1,426 3.352,427 1.912,428 0.954,429 1.207,431 2.189,432 0.911,433 2.118,434 0.874,435 3.271,436 1.745,437 0.779,438 0.987,440 1.845,441 0.751,442 2.116,443 0.756,444 3.233,445 1.644,446 0.68,447 0.927,449 1.647,450 0.654,451 16.133,452 0.475,453 0.708,454 0.021,455 42.75,456 1.257,457 20,458 0.588,459 22.75,460 0.669,461 29.937,462 0.88,463 36.667,464 0.564,465 30.684,466 0.902,467 8.398,468 0.247,469 8.238,470 0.242,471 0.052,473 0.298,479 0.838,480 1.401,481 0.84,482 1.117,483 0.573,484 0.996,485 0.933,486 1.085,487 0.965,488 0.987,489 0.557,490 0.972,491 1.069,492 1.118,493 1.136,494 1.14,495 1.013,496 1.149,497 0.706,498 1.004,499 0.945,500 1.04,501 0.494,502 1.022,503 0.779,504 0.948,505 0.922,506 0.995,507 0.784,508 0.981,509 0.848,510 0.95,511 0.934,512 0.951,513 0.741,514 0.952,515 0.69,516 1.06,517 1.01,518 1.109,519 0.495,520 1.097,521 0.891,522 1.037,523 1.06,524 1.06,525 0.819,526 1.076,527 6.5,528 0.161,529 3.111,530 1.451,531 1.256,532 0.868,533 0.57,534 0.257,535 0.287,536 0.107,537 21621,538 52784,539 2.163,540 47.7,542 17,543 1,544 2,545 3,546 3,547 4,548 1,550 1.751,551 2.082,552 3.958,553 0.811,559 96.011,560 1.477,561 3.735,562 4.989,563 5.476,564 5.518,565 5.518,566 3.4,567 4.735,568 5.057,569 4.189,570 2350.3,571 8.82,572 39753.6,577 391.454,578 1.166,579 5.043,580 0.171,581 0.006,582 0.06,583 0.032,584 0.029,585 0.022,586 0.014,587 0.007,588 0.009,589 0.004,590 0.353,591 0.17,592 0.88,593 0.689,594 189.027,595 0.02,596 -0.15,597 0.067,598 -0.041,599 0.037,600 0.008,601 0.014,602 0.072,603 -0.019,604 0.03,605 0.095,606 0.008,607 -0.159,608 -0.091,609 -0.179,610 -0.115,611 -0.092,612 -0.146,613 0.021,614 -0.056,615 0.021,616 -0.035,617 0.076,618 -0.01,619 0.046,620 -0.022,621 0.057,622 0.004,623 0.03,624 0.026,625 -0.02,626 0.007,627 0.042,628 0.046,629 -0.017,630 0.05,631 0.058,632 -0.07,633 -0.048,634 -0.111,635 0.002,636 -0.097,637 -0.022,638 -0.098,639 -0.075,640 -0.083,641 -0.042,642 -0.086,643 1.71,644 4.138,645 0.735,646 45.484,647 0.995,648 1.134,649 3.208,650 10.291,651 0.656,652 3.664,653 3.97,654 4.22,655 4.477,656 4.605,657 4.71,658 4.86,659 4.99,660 5.043,661 5.112,662 9.567,663 0.618,664 457.64,665 3.664,666 5.198,667 6.038,668 6.903,669 7.757,670 8.625,671 9.487,672 10.358,673 11.225,674 12.099,675 10.8,677 1,678 1,682 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 65,716 22,717 2,718 38,720 69,721 26,722 16,723 5,724 7,730 5,731 6,736 1,740 1,741 1,743 2,745 17,746 9,747 1,750 1,755 1,759 1,764 31,765 6,766 3,767 8,773 7,777 0.8,778 1,788 1,789 1,792 3,793 2,796 1,805 1,814 1,815 1,819 4,823 1,827 34,833 7,834 2,837 1,838 1,844 1,847 1.5,850 1,854 16.333,855 11.633,856 7.417,857 3.927,858 3.764,859 1.448,860 1.011,861 7.048,862 12.168,863 3.922,864 4.5,865 5.058,866 5.648,867 6.083,868 6.427,869 6.865,870 7.271,871 7.442,872 7.679,873 0.909,874 46,875 12.543,877 5.275,878 7.559,879 24.626,881 20.569,883 2.059,884 70,888 329.591,889 138.348,890 91.156,892 25.145,895 138.348,896 354.736,897 91.156,898 8.825,899 33.608,900 93.392,901 103.955,902 36.267,903 13.915,904 294.278,906 329.591,907 229.504,908 25.145,911 270.735,912 84,915 99.49,916 96.688,917 33.326,919 329.591,920 116.301,921 138.348,924 329.591,925 36.904,926 106.467,927 52.807,928 58.471,929 329.591,930 116.301,931 138.348,933 0.576,934 0.324,935 0.177,936 0.087,937 25,938 10,939 0.13,940 9,941 1,942 1.08,943 4.831,944 302.624,945 0.08,946 25,947 164.974,951 22.788,952 10.517,953 5.755,954 2.438,955 97.617,956 20.062,957 7.83,958 3.411,961 4.506,962 1.936,963 52.807,964 584.24,965 49.5,970 11.138,974 -0.043,975 64.643,976 73.68,977 0.245,978 0.62,979 0.828,980 0.909,981 0.916,982 0.916,983 5.149,984 1.84,985 5.999,986 5.577,987 4.654,988 5.187,989 2.183,990 6.76,991 4.589,992 6.329,993 1.767,994 7.52,995 4.654,996 4.111,997 4.89,998 1.668,999 7.535,1000 4.033,1001 7.615,1002 1.279,1003 9.136,1004 4.51,1005 6.201,1006 7.351,1007 2.949,1008 10.606,1009 6.073,1010 8.937,1011 1.145,1012 10.81,1013 3.428,1014 6.509,1015 7.961,1016 3.047,1017 12.251,1018 6.362,1019 10.293,1020 1,1021 12.523,1022 2.55,1023 8.011,1024 9.848,1025 4.045,1026 14.809,1027 7.828,1028 11.672,1029 0.954,1030 14.264,1031 2.275,1032 8.717,1033 10.899,1034 4.412,1035 16.827,1036 8.512,1037 13.071,1038 0.779,1039 16.025,1040 2.189,1041 9.979,1042 12.552,1043 5.252,1044 19.218,1045 9.746,1046 3.119,1047 0.68,1048 17.803,1049 1.845,1050 10.882,1051 13.829,1052 5.75,1053 21.405,1054 10.628,1055 2.768,1056 10.433,1057 19.594,1058 1.647,1059 12.043,1060 15.384,1061 6.501,1062 23.744,1063 11.766,1064 2.726,1065 8.885,1066 21.396,1067 4.518,1068 13.046,1069 16.773,1070 7.068,1071 26.008,1072 12.749,1073 2.682,1074 7.881,1075 23.208,1076 3.732,1077 14.167,1078 18.289,1079 7.771,1080 28.334,1081 13.851,1082 2.335,1083 7.515,1084 25.028,1085 3.648,1086 15.22,1087 19.735,1088 8.374,1089 30.635,1090 14.887,1091 2.098,1092 6.588,1093 26.855,1094 2.9,1095 16.328,1096 21.238,1097 9.051,1098 32.961,1099 15.979,1100 1.921,1101 6.087,1102 28.688,1103 2.828,1104 17.409,1105 22.711,1106 9.674,1107 35.28,1108 17.045,1109 19976,1110 31367,1111 26.235,1112 42.631,1113 56.847,1114 56.995,1115 56.7,1116 56.394,1117 56.471,1118 73.113,1119 7.027,1120 157.455,1121 54.625,1122 5.528,1123 5.533,1124 6.163,1125 5.16,1126 5.119,1127 7.518,1128 3.306,1129 17.106,1130 5.062,1131 12.187,1132 1.496,1133 1.5,1134 1.492,1135 1.484,1136 1.486,1137 1.924,1138 0.185,1139 4.144,1140 1.438,1141 4.155,1142 4.194,1143 4.114,1144 4.062,1145 7.43,1146 4.07,1147 3.956,1148 4.001,1149 3.884,1150 3.87,1151 5.135,1152 3.868,1153 3.872,1154 3.931,1155 3.794,1156 3.727,1157 4.927,1158 3.726,1159 3.819,1160 3.891,1161 3.747,1162 3.577,1163 4.754,1164 3.618,1165 3.554,1166 3.613,1167 3.456,1168 3.331,1169 4.386,1170 3.35,1171 3.453,1172 3.518,1173 3.325,1174 3.292,1175 4.254,1176 3.296,1177 3.331,1178 3.405,1179 3.203,1180 3.129,1181 4.143,1182 3.135,1183 3.191,1184 3.275,1185 3.041,1186 2.995,1187 3.923,1188 2.996,1189 0.12,1190 0.093,1191 0.173,1192 0.108,1193 0.082,1194 4.569,1195 0.119,1196 3.533,1197 0.05,1198 6.566,1199 0.275,1200 4.1,1201 0.081,1202 3.119,1203 4.518,1204 1.907,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.041,1210 2.052,1211 1.32,1212 2.049,1213 1.921,1214 1.89,1215 2.038,1216 2.028,1217 1.268,1218 2.034,1219 1.695,1220 1.634,1221 1.91,1222 1.885,1223 1.155,1224 1.892,1225 1.67,1226 1.61,1227 1.876,1228 1.852,1229 1.115,1230 1.869,1231 1.464,1232 1.41,1233 1.714,1234 1.709,1235 0.898,1236 1.71,1237 1.439,1238 1.365,1239 1.653,1240 1.693,1241 0.759,1242 1.677,1243 1.376,1244 1.31,1245 1.535,1246 1.595,1247 0.675,1248 1.587,1249 1.238,1250 1.158,1251 1.5,1252 1.485,1253 0.585,1254 1.503,1255 4.344,1257 5.652,1258 3.434,1259 7.128,1260 5.687,1261 8.684,1262 7.678,1263 10.287,1265 1.525,1271 7.52,1272 6.412,1275 0.682,1276 2.58,1280 40.186,1281 96.011,1282 242.77,1283 324.293,1284 355.944,1285 358.699,1286 358.699,1287 46.97,1288 8.404,1289 90.87,1290 90.87,1291 27,1292 12.641,1293 4.524,1294 3.644,1295 50.554,1296 197,1297 196,1298 0.121,1299 245.487,1300 412.35,1301 590.748,1302 68475,1304 23.33,1305 0.686,1306 0.573,1307 23.33,1308 19.498,1309 16.636,1310 0.438,1311 0.313,1312 11.726,1313 16.007,1314 11.452,1315 9.492,1316 16.636,1317 11.885,1318 14.949,1319 0.287,1320 0.176,1321 14.949,1322 9.127,1323 12.26,1324 0.183,1325 0.098,1326 12.26,1327 6.572,1328 10.366,1329 0.119,1330 0.055,1331 10.366,1332 4.759,1333 7.619,1334 0.077,1335 0.031,1336 7.619,1337 3.091,1338 0.201,1339 103.944,1340 0.195,1341 32.647,1342 0.304,1343 180,1344 457.315,1345 194.759,1346 450.685,1347 624.68,1348 424,1349 209,1350 468.38,1351 224.289,1352 477.267,1353 687.31,1354 448,1355 7.921} {0 CHEMBL349528,1 1.545,2 9.364,3 1.035,4 1.071,5 87.146,6 7.254,7 0.6,8 3.842,9 3.977,10 3.401,11 3.331,12 4.895,13 3.323,14 4.396,15 4.584,16 3.749,17 3.769,18 5.357,19 3.731,20 4.633,21 4.864,22 3.623,23 3.866,24 5.52,25 3.754,26 4.647,27 4.913,28 3.52,29 3.818,30 5.45,31 3.679,32 4.574,33 4.86,34 3.446,35 3.681,36 5.365,37 3.55,38 4.368,39 4.615,40 3.449,41 3.582,42 5.244,43 3.498,44 4.362,45 4.601,46 3.398,47 3.548,48 5.284,49 3.448,50 4.35,51 4.638,52 3.091,53 3.356,54 5.231,55 3.216,56 0.056,57 0.668,58 9.043,59 3.397,60 10.866,61 4.809,62 0.192,63 1.073,64 17.031,65 5.728,66 15.685,67 8.355,68 0.276,69 1.176,70 23.012,71 8.008,72 28,73 11.686,74 0.19,75 1.148,76 23.943,77 8.393,78 27.258,79 12.624,80 0.264,81 1.04,82 22.925,83 7.402,84 27.484,85 11.345,86 0.174,87 0.919,88 17.822,89 5.636,90 19.593,91 8.624,92 0.197,93 0.922,94 17.4,95 5.63,96 20.074,97 8.518,98 0.258,99 0.782,100 18.592,101 5.288,102 29.263,103 8.364,104 2,105 35,106 0.272,107 0.654,108 0.812,109 0.874,110 0.874,111 0.874,112 3.147,113 0.918,114 -3.36,115 -3.34,116 -3.2,119 39,121 2,125 3,127 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 4,171 2,172 4,176 4,178 4,182 3,184 1,186 3,189 4,193 6,199 3,203 6,206 2,208 1,211 2,215 3,220 1,222 1,225 1,226 3,229 2,231 2,233 1,241 1,242 1,244 1,248 2,249 1,254 1,256 1,259 650,260 15.24,261 15.24,262 15.24,263 15.24,264 15.24,265 13.552,266 16.617,267 9.002,268 15.613,269 12.369,270 12.369,271 12.369,272 12.369,273 12.369,274 9.83,275 16.726,276 4.308,277 12.994,278 3.813,279 1.636,280 0.738,281 0.39,282 0.39,283 0.39,284 3.846,288 1,289 1,290 460,291 2.345,294 160.24,295 53.517,298 83.883,302 1.545,303 13.799,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 47.5,315 206,316 4.569,317 3.203,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.993,327 6.096,328 3.696,329 2.76,330 3.732,332 8.885,333 2.584,334 3.699,335 2.872,336 5.553,337 3.619,338 2.684,339 2.825,341 7.576,342 2.504,343 3.42,344 2.284,345 5.126,346 3.031,347 2.057,348 2.683,350 6.009,351 2.001,352 3.248,353 2.087,354 4.637,355 2.763,356 1.825,357 2.582,359 4.972,360 1.709,361 2.87,362 1.792,363 4.513,364 2.703,365 1.755,366 1.905,368 4.654,369 1.655,370 2.716,371 1.314,372 4.119,373 2.243,374 1.268,375 1.791,377 3.417,378 1.234,379 2.4,380 1.033,381 3.362,382 1.922,383 0.964,384 1.356,386 2.203,387 0.921,388 2.136,389 0.891,390 3.283,391 1.76,392 0.796,393 1.004,395 1.871,396 0.764,397 2.118,398 0.756,399 3.234,400 1.645,401 0.681,402 0.927,404 1.648,405 0.655,406 1.778,407 0.618,408 3.036,409 1.518,410 0.618,411 0.747,413 1.372,414 0.556,415 1.542,416 0.439,417 3,418 1.328,419 0.359,420 0.425,422 0.893,423 0.347,424 0.857,425 -0.159,426 2.436,427 0.468,428 -0.484,429 -0.577,431 -1.252,432 -0.455,433 0.633,434 -0.405,435 2.279,436 0.21,437 -0.728,438 -0.813,440 -1.781,441 -0.658,442 0.333,443 -0.711,444 2.034,445 0.092,446 -0.857,447 -1.089,449 -2.59,450 -0.83,451 10.333,452 0.47,453 0.465,454 0.021,455 27.25,456 1.239,457 12,458 0.545,459 15.25,460 0.693,461 16.843,462 0.766,463 23.867,464 0.582,465 17.068,466 0.776,467 5.309,468 0.241,469 5.483,470 0.249,471 0.032,473 0.319,479 0.936,480 1.428,481 0.81,482 1.115,483 0.873,484 0.973,485 1.054,486 1.053,487 0.966,488 0.959,489 0.803,490 0.942,491 1.021,492 1.018,493 1.11,494 1.1,495 1.082,496 1.124,497 0.692,498 1.045,499 0.934,500 1.08,501 0.674,502 1.053,503 0.721,504 0.879,505 0.84,506 0.899,507 0.745,508 0.892,509 0.989,510 1.063,511 0.912,512 0.934,513 0.871,514 0.913,515 0.819,516 1.149,517 1.096,518 1.224,519 0.7,520 1.199,521 1.05,522 0.948,523 1.052,524 0.994,525 1.087,526 1.013,527 4,528 0.059,529 2.444,530 1.076,531 0.748,532 0.524,533 0.348,534 0.148,535 0.159,536 0.065,537 5540,538 13603,539 2.205,540 46.3,542 10,543 1,544 2,545 2,547 2,548 2,550 1.643,551 2.129,552 3.224,553 0.348,554 1,555 1,557 1,559 63.339,560 1.545,561 3.722,562 4.619,563 4.967,564 4.967,565 4.967,566 2.72,567 4.061,568 4.43,569 3.37,570 778.445,571 7.601,572 8573.91,573 1,574 1,577 219.66,578 1.143,579 4.418,580 0.16,581 0.006,582 0.07,583 0.037,584 0.029,585 0.022,586 0.014,587 0.007,588 0.011,589 0.005,590 0.36,591 0.5,592 1,593 0.405,594 101.425,595 -0.011,596 -0.184,597 0.067,598 -0.043,599 -0.021,600 0.007,601 -0.096,602 0.11,603 -0.047,604 0.052,605 -0.031,606 0.018,607 -0.089,608 -0.026,609 -0.164,610 -0.073,611 -0.079,612 -0.123,613 -0.001,614 -0.123,615 0.015,616 -0.052,617 0.003,618 -0.024,619 0.076,620 0.02,621 0.142,622 0.083,623 0.008,624 0.114,625 -0.096,626 -0.068,627 0.05,628 0.056,629 -0.052,630 0.072,631 0.047,632 -0.113,633 -0.147,634 -0.251,635 0.008,636 -0.234,637 -0.012,638 -0.054,639 -0.039,640 -0.064,641 -0.009,642 -0.051,643 1.483,644 3.608,645 0.864,646 18.099,647 1.001,648 1.137,649 2.128,650 4.528,651 0.654,652 3.258,653 3.584,654 3.871,655 4.143,656 4.234,657 4.357,658 4.522,659 4.682,660 4.71,661 4.727,662 5.647,663 0.622,664 297.4,665 3.258,666 4.796,667 5.652,668 6.529,669 7.401,670 8.282,671 9.159,672 10.043,673 10.925,674 11.81,675 12.2,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 41,716 15,717 1,718 25,720 44,721 16,722 10,723 3,724 3,730 4,731 5,740 2,743 3,745 10,746 6,760 1,761 1,764 19,765 4,766 2,767 6,773 5,777 0.75,778 1,780 1,788 1,789 1,792 3,793 1,796 1,815 1,817 1,819 3,827 22,832 1,833 5,837 1,838 1,844 1,847 2.4,848 1,854 10.333,855 7.083,856 4.75,857 2.48,858 2.803,859 1.39,860 0.988,861 3.601,862 9.982,863 3.512,864 4.119,865 4.745,866 5.365,867 5.781,868 6.23,869 6.713,870 7.163,871 7.362,872 7.594,873 1,874 29,875 8.118,877 3.488,878 7.591,879 15.899,881 13.539,883 2.091,884 46,885 0.001,888 200.109,889 76.759,890 55.135,892 42.683,895 76.759,896 242.792,897 55.135,899 11.386,900 80.16,901 74.105,902 30.324,903 13.915,904 164.795,906 200.109,907 131.894,908 42.683,911 153.024,912 47.084,913 42.683,915 50.432,916 48.136,917 33.326,919 200.109,920 97.818,921 76.759,924 200.109,925 22.046,926 59.737,927 16.786,928 76.009,929 200.109,930 97.818,931 76.759,933 0.582,934 0.34,935 0.186,936 0.086,937 19,938 7,939 0.091,940 4,941 1,942 1.105,943 3.602,944 175.809,945 0.105,946 19,947 94.107,951 13.794,952 5.744,953 2.773,954 2.388,955 79.134,956 11.825,957 7.718,958 3.336,961 2.376,962 1.91,963 59.469,964 374.686,965 32.5,975 41.022,976 46.607,977 0.288,978 0.695,979 0.862,980 0.927,981 0.927,982 0.927,983 4.743,984 0.964,985 5.624,986 3.417,987 4.263,988 4.804,989 0.673,990 6.418,991 4.171,992 5.931,993 0.796,994 7.166,995 2.203,996 3.761,997 4.543,998 0.325,999 7.261,1000 3.62,1001 7.228,1002 0.681,1003 8.806,1004 1.871,1005 5.838,1006 7.023,1007 0.379,1008 10.356,1009 5.665,1010 8.566,1011 0.618,1012 10.506,1013 1.648,1014 6.217,1015 7.72,1016 0.268,1017 12.07,1018 6.004,1019 9.941,1020 0.359,1021 12.245,1022 1.372,1023 7.699,1024 9.596,1025 0.239,1026 14.648,1027 7.461,1028 11.343,1029 -0.484,1030 14.012,1031 0.893,1032 8.471,1033 10.731,1034 0.188,1035 16.714,1036 8.204,1037 12.766,1038 -0.728,1039 15.799,1040 -1.252,1041 9.724,1042 12.376,1043 0.156,1044 19.122,1045 9.435,1046 3.119,1047 -0.857,1048 17.601,1049 -1.781,1050 10.677,1051 13.712,1052 0.125,1053 21.337,1054 10.368,1055 2.76,1056 10.433,1057 19.415,1058 -2.59,1059 11.839,1060 15.266,1061 0.102,1062 23.689,1063 11.512,1064 2.684,1065 8.885,1066 21.238,1067 4.518,1068 12.876,1069 16.693,1070 0.082,1071 25.967,1072 12.534,1073 2.057,1074 7.576,1075 23.069,1076 3.732,1077 14.004,1078 18.212,1079 0.066,1080 28.303,1081 13.648,1082 1.825,1083 6.009,1084 24.906,1085 2.825,1086 15.082,1087 19.68,1088 0.054,1089 30.611,1090 14.713,1091 1.755,1092 4.972,1093 26.748,1094 2.683,1095 16.199,1096 21.187,1097 0.043,1098 32.943,1099 15.818,1100 1.268,1101 4.654,1102 28.595,1103 2.582,1104 17.297,1105 22.674,1106 0.035,1107 35.266,1108 16.905,1109 5147,1110 8174,1111 17.394,1112 26.813,1113 38.049,1114 37.549,1115 37.848,1116 37.809,1117 37.773,1118 48.99,1119 1.6,1120 107.866,1121 35.984,1122 5.519,1123 5.203,1124 6.163,1125 5.16,1126 5.119,1127 7.518,1128 1.2,1129 17.105,1130 5.062,1131 6.105,1132 1.522,1133 1.502,1134 1.514,1135 1.512,1136 1.511,1137 1.96,1138 0.064,1139 4.315,1140 1.439,1141 4.152,1142 4.19,1143 4.112,1144 4.06,1145 6.449,1146 4.068,1147 3.862,1148 3.928,1149 3.792,1150 3.68,1151 5.134,1152 3.687,1153 3.815,1154 3.886,1155 3.728,1156 3.572,1157 4.927,1158 3.612,1159 3.419,1160 3.479,1161 3.298,1162 3.282,1163 4.287,1164 3.28,1165 3.21,1166 3.289,1167 3.077,1168 3.003,1169 4.218,1170 3.009,1171 2.923,1172 3,1173 2.788,1174 2.763,1175 3.824,1176 2.759,1177 2.89,1178 2.97,1179 2.655,1180 2.677,1181 3.575,1182 2.654,1183 2.68,1184 2.779,1185 2.441,1186 2.388,1187 3.413,1188 2.389,1189 0.183,1190 0.128,1191 0.263,1192 0.164,1193 0.125,1194 4.569,1195 0.181,1196 3.203,1197 0.032,1198 6.566,1199 0.417,1200 4.1,1201 0.122,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.269,1212 2.049,1213 1.681,1214 1.62,1215 1.877,1216 1.879,1217 1.159,1218 1.883,1219 1.56,1220 1.506,1221 1.811,1222 1.761,1223 1.109,1224 1.778,1225 1.435,1226 1.36,1227 1.634,1228 1.692,1229 0.867,1230 1.674,1231 1.372,1232 1.307,1233 1.513,1234 1.589,1235 0.585,1236 1.58,1237 1.078,1238 0.982,1239 1.351,1240 1.442,1241 0.497,1242 1.379,1243 1.044,1244 0.955,1245 1.219,1246 1.297,1247 0.184,1248 1.325,1249 0.851,1250 0.787,1251 1.114,1252 1.036,1253 0.086,1254 1.069,1255 3.932,1257 5.252,1258 3.434,1259 6.744,1260 5.687,1261 8.318,1262 7.67,1263 9.94,1270 9.608,1271 4.661,1275 -0.15,1276 2.327,1280 25.509,1281 63.339,1282 152.586,1283 189.395,1284 203.66,1285 203.66,1286 203.66,1287 26.256,1288 7.179,1289 69.97,1290 69.97,1291 21,1292 12.343,1293 4,1294 3.087,1295 29.972,1296 73,1297 75,1298 0.199,1299 155.078,1300 251.17,1301 370.15,1302 12323,1304 14.941,1305 0.679,1306 0.56,1307 14.941,1308 12.313,1309 10.793,1310 0.432,1311 0.306,1312 7.526,1313 10.313,1314 7.409,1315 6.083,1316 10.793,1317 7.649,1318 9.741,1319 0.278,1320 0.169,1321 9.741,1322 5.906,1323 8.418,1324 0.179,1325 0.094,1326 8.418,1327 4.413,1328 7.132,1329 0.115,1330 0.051,1331 7.132,1332 3.162,1333 5.01,1334 0.074,1335 0.028,1336 5.01,1337 1.912,1338 0.31,1339 67.976,1340 0.24,1341 21.785,1342 0.548,1343 120,1344 313.063,1345 131.207,1346 305.576,1347 425.76,1348 288,1349 142,1350 322.636,1351 154.346,1352 326.334,1353 474.05,1354 307,1355 8.077} {0 CHEMBL349675,1 1.542,2 14.424,3 4.691,4 22.002,5 134.276,6 7.276,7 0.432,8 4.253,9 4.364,10 3.939,11 3.831,12 5.196,13 3.776,14 4.85,15 5.024,16 4.258,17 4.26,18 5.923,19 4.182,20 5.096,21 5.301,22 4.297,23 4.43,24 6.028,25 4.299,26 5.195,27 5.413,28 4.179,29 4.406,30 6.219,31 4.269,32 5.151,33 5.407,34 4.058,35 4.319,36 6.04,37 4.172,38 5.018,39 5.265,40 4.085,41 4.274,42 5.891,43 4.125,44 4.979,45 5.205,46 4.046,47 4.239,48 5.89,49 4.098,50 5.004,51 5.247,52 3.894,53 4.127,54 5.957,55 3.99,56 0.091,57 0.948,58 17.281,59 6.558,60 14.417,61 8.385,62 0.429,63 1.595,64 29.734,65 11.026,66 53.553,67 14.503,68 0.262,69 1.967,70 43.433,71 16.01,72 37.922,73 20.208,74 0.454,75 2.013,76 46.837,77 16.705,78 82.313,79 21.306,80 0.441,81 1.897,82 42.252,83 15.409,84 64.325,85 21.12,86 0.451,87 1.74,88 36.276,89 14.041,90 48.585,91 19.431,92 0.21,93 1.73,94 37.788,95 13.625,96 38.533,97 17.925,98 0.506,99 1.625,100 37.515,101 12.512,102 66.022,103 16.554,104 11,105 53,106 0.245,107 0.569,108 0.762,109 0.841,110 0.841,111 0.841,112 3.532,113 1.066,114 -3.92,115 -3.87,116 -3.67,119 40.6,121 4,124 1,125 5,134 1,135 1,140 7,141 3,142 2,149 1,150 1,169 12,171 3,172 7,176 3,178 13,182 10,186 3,189 13,193 12,197 1,199 10,203 5,206 1,208 1,211 10,214 3,215 6,220 2,222 10,226 7,231 2,233 6,237 9,240 1,244 10,249 3,256 12,259 1972,260 22.59,261 22.59,262 22.59,263 22.59,264 22.59,265 20.275,266 24.22,267 13.074,268 23.145,269 18.178,270 18.178,271 18.178,272 18.178,273 18.178,274 14.495,275 24.036,276 6.091,277 18.99,278 4.458,279 2.413,280 1.194,281 0.699,282 0.699,283 0.699,284 4.238,289 1,290 1053,291 3.674,294 183.799,295 323.462,298 149.964,302 2.255,303 31.882,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70.5,315 476,316 4.932,317 4.726,318 7.666,319 4.435,320 3.512,321 4.759,322 0.86,323 13.611,324 3.218,325 4.568,326 3.199,327 6.566,328 4.106,329 3.117,330 4.515,331 0.8,332 10.433,333 3.082,334 4.102,335 2.977,336 6.098,337 3.737,338 2.746,339 3.552,340 0.657,341 8.891,342 2.721,343 3.897,344 2.835,345 5.604,346 3.47,347 2.536,348 3.443,350 7.087,351 2.391,352 3.56,353 2.812,354 5.368,355 3.457,356 2.507,357 2.752,359 7.025,360 2.356,361 3.374,362 2.49,363 5.258,364 3.03,365 2.074,366 2.51,368 6.237,369 1.991,370 3.262,371 2.147,372 5.105,373 2.919,374 1.955,375 2.47,377 5.935,378 1.862,379 3.084,380 1.733,381 4.513,382 2.576,383 1.597,384 2.28,386 4.522,387 1.558,388 2.742,389 1.508,390 4.217,391 2.334,392 1.351,393 1.818,395 3.683,396 1.327,397 2.607,398 1.397,399 4.076,400 2.231,401 1.269,402 1.562,404 3.271,405 1.216,406 2.5,407 1.37,408 3.52,409 2.114,410 1.136,411 1.5,413 2.738,414 1.108,415 2.343,416 1.231,417 3.414,418 2,419 1,420 1.325,422 2.275,423 1,424 2.136,425 1.019,426 3.414,427 1.984,428 1,429 1.048,431 2.275,432 0.983,433 2.05,434 1,435 3.264,436 1.722,437 0.762,438 0.987,440 1.797,441 0.729,442 1.652,443 0.846,444 3.037,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 16.033,452 0.486,453 0.803,454 0.024,455 40.25,456 1.22,457 19,458 0.576,459 21.25,460 0.644,461 30.857,462 0.935,463 36.167,464 0.565,465 31.173,466 0.945,467 7.569,468 0.229,469 8.472,470 0.257,471 0.073,472 0.052,473 0.268,479 0.621,480 1.39,481 0.851,482 1.239,483 0.629,484 1.015,485 0.93,486 0.995,487 0.886,488 0.861,489 0.57,490 0.9,491 0.905,492 1.131,493 1.232,494 1.22,495 0.726,496 1.077,497 1.339,498 1.081,499 1.205,500 1.125,501 1.666,502 1.097,503 0.927,504 0.912,505 0.805,506 0.868,507 1.272,508 0.949,509 0.355,510 0.993,511 0.74,512 0.907,513 0.376,514 0.961,515 0.781,516 1.244,517 1.178,518 1.255,519 0.633,520 1.145,521 1.523,522 0.872,523 1.048,524 0.863,525 1.547,526 0.972,527 7,528 0.217,529 4.889,530 2.201,531 1.383,532 1.229,533 0.827,534 0.421,535 0.297,536 0.271,537 17553,538 40187,539 2.142,540 48.4,542 21,543 1,545 1,547 8,550 1.749,551 2.031,552 3.774,553 -0.382,559 98.699,560 1.542,561 3.587,562 4.806,563 5.301,564 5.301,565 5.301,566 3.272,567 4.56,568 5.011,569 3.96,570 2090.62,571 8.759,572 32048.3,577 384,578 1.416,579 4.983,580 0.189,581 0.007,582 0.092,583 0.042,584 0.029,585 0.029,586 0.019,587 0.01,588 0.009,589 0.008,590 0.435,591 0.33,592 0.75,593 0.62,594 177.507,595 0.11,596 -0.181,597 0.213,598 -0.08,599 -0.098,600 0.018,601 0.108,602 0.136,603 0.067,604 0.129,605 0.226,606 0.065,607 -0.053,608 -0.059,609 -0.082,610 -0.094,611 0.072,612 -0.059,613 -0.162,614 -0.094,615 -0.165,616 -0.103,617 -0.111,618 -0.114,619 -0.027,620 0.024,621 0.048,622 0.04,623 -0.115,624 0.032,625 0.286,626 -0.015,627 0.138,628 0.048,629 0.149,630 0.045,631 -0.019,632 -0.194,633 -0.113,634 -0.199,635 0.075,636 -0.141,637 -0.207,638 0.099,639 -0.101,640 0.046,641 -0.147,642 -0.032,643 4.434,644 6.043,645 0.788,646 39.721,647 0.996,648 1.123,649 2.685,650 7.211,651 0.667,652 3.638,653 3.989,654 4.29,655 4.511,656 4.691,657 4.852,658 5.03,659 5.106,660 5.215,661 5.398,662 8.162,663 0.621,664 465.67,665 3.638,666 5.198,667 6.066,668 6.952,669 7.833,670 8.724,671 9.611,672 10.505,673 11.396,674 12.292,675 4.7,678 2,683 1,687 2,688 8,690 1,693 4,695 16,712 1,714 64,716 19,717 2,718 37,720 68,721 26,722 14,723 5,724 7,725 2,730 5,731 6,740 3,743 4,745 16,746 10,750 3,753 1,755 2,757 1,759 1,764 31,765 5,766 1,767 7,768 1,773 3,777 0.8,778 3,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,823 1,827 33,830 1,833 9,835 1,838 2,847 4.7,850 2,852 1,854 16.25,855 11.567,856 7.167,857 4.006,858 3.371,859 1.404,860 1.021,861 6.505,862 11.72,863 3.892,864 4.519,865 5.093,866 5.624,867 6.123,868 6.502,869 6.908,870 7.176,871 7.373,872 7.757,873 0.9,874 53,875 12.51,877 5.616,878 7.624,879 24.223,881 20.906,883 2.124,884 70.083,888 353.133,889 143.283,890 21.428,892 55.313,894 5.807,895 137.475,896 408.446,897 21.428,898 10.883,899 20.667,900 90.665,901 44.313,902 51.352,903 13.915,904 341.362,906 353.133,907 158.903,908 55.313,909 5.807,911 258.964,912 149.482,915 42.095,916 107.332,917 15.284,919 353.133,920 76.741,921 143.283,923 5.807,924 353.133,925 41.735,926 100.383,927 16.786,928 55.313,929 353.133,930 76.741,931 143.283,933 0.589,934 0.353,935 0.178,936 0.086,937 27,938 11,939 0.103,940 7,941 1,942 1.077,943 4.511,944 308.808,945 0.077,946 26,947 156.465,950 1,951 22.516,952 9.534,953 4.701,954 2.441,955 59.956,956 15.284,958 3.413,961 3.496,963 16.786,964 573.157,965 48,968 -3.517,970 26.087,972 2.058,974 1.213,975 63.734,976 71.856,977 0.257,978 0.598,979 0.801,980 0.883,981 0.883,982 0.883,983 5.153,984 1.597,985 6.075,986 5.935,987 4.673,988 5.207,989 1.459,990 6.936,991 4.591,992 6.378,993 1.351,994 7.675,995 4.522,996 4.369,997 5.255,998 0.325,999 8.148,1000 4.208,1001 7.728,1002 1.269,1003 9.391,1004 3.683,1005 6.354,1006 7.525,1007 1.074,1008 11.221,1009 6.176,1010 9.125,1011 1.136,1012 11.185,1013 3.271,1014 6.929,1015 8.454,1016 0.268,1017 13.329,1018 6.656,1019 10.563,1020 1,1021 13.032,1022 2.738,1023 8.387,1024 10.236,1025 0.807,1026 16.021,1027 8.091,1028 12.031,1029 1,1030 14.918,1031 2.275,1032 9.335,1033 11.523,1034 0.188,1035 18.449,1036 8.943,1037 13.521,1038 0.762,1039 16.833,1040 2.275,1041 10.621,1042 13.144,1043 0.608,1044 21.06,1045 10.186,1046 3.512,1047 0.618,1048 18.773,1049 1.797,1050 11.729,1051 14.578,1052 0.125,1053 23.6,1054 11.201,1055 3.117,1056 13.611,1057 20.73,1058 1.372,1059 12.963,1060 16.144,1061 0.458,1062 26.199,1063 12.375,1064 2.746,1065 10.433,1066 22.703,1067 4.759,1068 14.141,1069 17.639,1070 0.082,1071 28.779,1072 13.462,1073 2.536,1074 8.891,1075 24.688,1076 4.515,1077 15.367,1078 19.187,1079 0.343,1080 31.379,1081 14.613,1082 2.507,1083 7.087,1084 26.682,1085 3.552,1086 16.576,1087 20.709,1088 0.054,1089 33.976,1090 15.733,1091 2.074,1092 7.025,1093 28.684,1094 3.443,1095 17.805,1096 22.253,1097 0.256,1098 36.58,1099 16.879,1100 1.955,1101 6.237,1102 30.692,1103 2.752,1104 19.03,1105 23.787,1106 0.035,1107 39.183,1108 18.015,1109 16259,1110 24865,1111 25.137,1112 42.688,1113 55.792,1114 56.914,1115 56.655,1116 56.04,1117 56.025,1118 72.174,1119 4.635,1120 165.447,1121 53.785,1122 5.883,1123 6.726,1124 7.296,1125 5.491,1126 5.512,1127 7.759,1128 1.72,1129 21.574,1130 5.218,1131 13.407,1132 1.508,1133 1.538,1134 1.531,1135 1.515,1136 1.514,1137 1.951,1138 0.125,1139 4.472,1140 1.454,1141 4.164,1142 4.19,1143 4.743,1144 4.107,1145 7.715,1146 4.086,1147 4.073,1148 4.061,1149 4.1,1150 4.035,1151 6.999,1152 3.973,1153 3.848,1154 3.917,1155 3.744,1156 3.71,1157 4.967,1158 3.707,1159 3.793,1160 3.835,1161 3.707,1162 3.665,1163 4.847,1164 3.663,1165 3.588,1166 3.578,1167 3.647,1168 3.504,1169 4.472,1170 3.45,1171 3.404,1172 3.45,1173 3.284,1174 3.294,1175 4.339,1176 3.267,1177 3.228,1178 3.306,1179 3.071,1180 3.029,1181 4.324,1182 3.026,1183 3.17,1184 3.234,1185 2.996,1186 2.907,1187 4.133,1188 2.901,1189 0.133,1190 0.128,1191 0.207,1192 0.12,1193 0.095,1194 4.932,1195 0.129,1196 4.726,1197 0.023,1198 7.666,1199 0.368,1200 4.435,1201 0.087,1202 3.512,1203 4.759,1204 0.86,1205 13.611,1206 3.218,1207 2.01,1208 2.002,1209 2.087,1210 2.093,1211 1.357,1212 2.117,1213 1.944,1214 1.942,1215 1.974,1216 2.013,1217 1.249,1218 2.031,1219 1.743,1220 1.703,1221 1.913,1222 1.89,1223 1.211,1224 1.901,1225 1.667,1226 1.608,1227 1.86,1228 1.864,1229 1.139,1230 1.866,1231 1.577,1232 1.507,1233 1.847,1234 1.751,1235 1.052,1236 1.793,1237 1.429,1238 1.411,1239 1.639,1240 1.66,1241 0.873,1242 1.66,1243 1.376,1244 1.35,1245 1.568,1246 1.565,1247 0.704,1248 1.591,1249 1.154,1250 1.077,1251 1.435,1252 1.414,1253 0.61,1254 1.45,1255 4.317,1257 5.659,1258 3.045,1259 7.197,1260 5.283,1261 8.817,1262 7.273,1263 10.483,1265 1.571,1271 8.8,1273 5.142,1276 4.096,1280 39.771,1281 98.699,1282 229.581,1283 307.594,1284 339.245,1285 339.245,1286 339.245,1287 59.159,1288 8.349,1289 65.64,1290 74.02,1291 28,1292 12.818,1293 4.322,1294 3.585,1295 48.096,1296 162,1297 172,1298 0.143,1299 243.288,1300 420.62,1301 585.382,1302 56411,1304 22.838,1305 0.692,1306 0.603,1307 23.088,1308 19.904,1309 16.041,1310 0.434,1311 0.355,1312 11.684,1313 14.722,1314 11.291,1315 9.3,1316 16.83,1317 13.144,1318 14.621,1319 0.276,1320 0.204,1321 15.94,1322 10.829,1323 12.99,1324 0.18,1325 0.122,1326 14.331,1327 8.783,1328 10.398,1329 0.116,1330 0.07,1331 11.476,1332 6.278,1333 7.72,1334 0.071,1335 0.039,1336 8.61,1337 4.191,1338 0.231,1339 107.868,1340 0.199,1341 31.157,1342 0.378,1343 180,1344 467.69,1345 233.29,1346 471.745,1347 652.13,1348 440,1349 215,1350 455.664,1351 276.662,1352 501.44,1353 735.89,1354 471,1355 7.959} {0 CHEMBL349893,1 1.411,2 14.067,3 2.229,4 4.966,5 120.645,6 7.045,7 0.618,8 4.148,9 4.291,10 3.689,11 3.667,12 5.161,13 3.642,14 4.705,15 4.905,16 4.009,17 4.091,18 5.614,19 4.034,20 4.952,21 5.198,22 3.924,23 4.207,24 5.74,25 4.08,26 5.021,27 5.3,28 3.846,29 4.175,30 5.759,31 4.023,32 4.974,33 5.266,34 3.785,35 4.096,36 5.681,37 3.944,38 4.868,39 5.142,40 3.808,41 4.055,42 5.608,43 3.931,44 4.862,45 5.123,46 3.796,47 4.053,48 5.664,49 3.923,50 4.861,51 5.149,52 3.593,53 3.972,54 5.575,55 3.807,56 0.075,57 0.929,58 12.716,59 4.754,60 11.34,61 6.953,62 0.246,63 1.492,64 23.756,65 7.937,66 20.55,67 11.936,68 0.258,69 1.703,70 31.577,71 11.28,72 25.096,73 16.91,74 0.293,75 1.715,76 34.964,77 12.037,78 30.832,79 18.374,80 0.327,81 1.608,82 33.835,83 11.341,84 29.259,85 17.431,86 0.247,87 1.506,88 29.866,89 9.947,90 22.683,91 15.327,92 0.337,93 1.532,94 29.432,95 9.874,96 28.213,97 14.994,98 0.254,99 1.426,100 30.074,101 9.989,102 27.17,103 15.444,105 46,106 0.229,107 0.601,108 0.8,109 0.89,110 0.89,111 0.89,112 3.44,113 0.938,114 -3.96,115 -3.92,116 -3.71,119 40.4,121 2,122 1,125 5,140 6,141 2,142 1,143 1,144 1,149 1,150 1,158 2,164 1,169 7,171 2,172 7,176 4,178 5,182 4,184 1,186 5,189 4,193 6,195 1,197 1,199 4,203 7,206 2,208 1,211 4,215 4,220 1,222 4,225 2,226 4,229 2,231 3,233 4,237 1,242 1,244 3,248 2,249 4,253 1,254 1,256 3,259 1572,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 24.36,267 12.752,268 21.54,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.27,275 28.18,276 6.124,277 17.586,278 4.422,279 2.129,280 0.904,281 0.351,282 0.351,283 0.351,284 4.155,288 1,289 1,290 949,291 3,294 240.281,295 195.52,298 130.287,302 2.271,303 12.997,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 422,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.969,327 6.096,328 3.712,329 2.768,330 3.732,331 0.657,332 8.885,333 2.63,334 3.899,335 2.868,336 5.647,337 3.671,338 2.723,339 3.444,341 7.88,342 2.57,343 3.737,344 2.754,345 5.34,346 3.479,347 2.517,348 2.828,350 6.965,351 2.42,352 3.426,353 2.254,354 5.139,355 3.071,356 2.1,357 2.72,359 6.088,360 2.036,361 3.25,362 2.089,363 4.878,364 2.871,365 1.915,366 2.586,368 5.578,369 1.822,370 3.024,371 1.792,372 4.514,373 2.723,374 1.768,375 2.127,377 4.654,378 1.684,379 2.907,380 1.672,381 4.122,382 2.516,383 1.538,384 1.991,386 3.429,387 1.503,388 2.725,389 1.327,390 3.676,391 2.251,392 1.274,393 1.822,395 3.223,396 1.243,397 2.5,398 1.25,399 3.397,400 2.026,401 1.08,402 1.5,404 2.385,405 1.019,406 2.404,407 1.014,408 3.333,409 1.958,410 1,411 1.363,413 2.172,414 0.955,415 2.202,416 1,417 3.247,418 1.903,419 0.947,420 1.165,422 2.136,423 0.903,424 2.118,425 0.857,426 3.24,427 1.728,428 0.767,429 0.978,431 1.811,432 0.735,433 2.102,434 0.756,435 3.227,436 1.643,437 0.678,438 0.927,440 1.642,441 0.653,442 1.761,443 0.618,444 3.033,445 1.518,446 0.618,447 0.731,449 1.372,450 0.556,451 14.3,452 0.477,453 0.496,454 0.017,455 38.5,456 1.283,457 18,458 0.6,459 20.5,460 0.683,461 24.892,462 0.83,463 31.9,464 0.56,465 25.457,466 0.849,467 7.516,468 0.251,469 7.332,470 0.244,473 0.266,479 0.925,480 1.428,481 0.83,482 1.123,483 0.676,484 0.991,485 1.24,486 1.085,487 1.027,488 0.979,489 0.886,490 0.977,491 0.929,492 1.072,493 1.083,494 1.134,495 0.788,496 1.129,497 0.842,498 1.008,499 0.983,500 1.05,501 0.781,502 1.036,503 0.822,504 0.901,505 0.908,506 0.936,507 0.822,508 0.933,509 0.961,510 0.983,511 0.911,512 0.932,513 0.814,514 0.918,515 0.938,516 1.003,517 1.079,518 1.09,519 1.043,520 1.1,521 0.959,522 1.012,523 1.037,524 1.052,525 1.074,526 1.054,527 4.5,528 0.092,529 2.667,530 1.139,531 0.864,532 0.694,533 0.408,534 0.201,535 0.213,536 0.08,537 15153,538 34581,539 2.228,540 47.4,542 16,543 1,544 3,545 2,547 4,548 1,550 1.721,551 2.195,552 3.755,553 0.21,555 1,559 80.399,560 1.411,561 3.704,562 4.929,563 5.482,564 5.482,565 5.482,566 3.248,567 4.307,568 4.877,569 3.962,570 1723.51,571 8.469,572 25711.2,574 1,577 332.475,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.028,584 0.024,585 0.02,586 0.011,587 0.006,588 0.008,589 0.003,590 0.296,591 0.33,592 0.88,594 158.685,595 0.074,596 -0.194,597 0.083,598 -0.065,599 0.214,600 -0.003,601 -0.108,602 0.067,603 -0.071,604 0.018,605 0.005,606 -0.015,607 -0.071,608 -0.068,609 -0.127,610 -0.116,611 0.02,612 -0.126,613 0.007,614 -0.078,615 -0.006,616 -0.05,617 0.043,618 -0.033,619 0.068,620 0.01,621 0.083,622 0.049,623 0.044,624 0.064,625 -0.044,626 -0.03,627 0.072,628 0.059,629 0.016,630 0.076,631 0.063,632 -0.007,633 -0.1,634 -0.11,635 -0.079,636 -0.123,637 -0.07,638 -0.096,639 -0.05,640 -0.068,641 -0.14,642 -0.058,643 0.651,644 1.379,645 0.833,646 36.12,647 0.992,648 1.134,649 2.733,650 7.47,651 0.661,652 3.555,653 3.85,654 4.127,655 4.382,656 4.5,657 4.595,658 4.745,659 4.905,660 4.977,661 5.037,662 8.252,663 0.621,664 401.57,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.379,672 10.25,673 11.12,674 11.995,675 12.3,677 1,678 1,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 57,716 21,717 1,718 34,720 61,721 23,722 15,723 3,724 3,730 5,731 6,740 1,741 1,743 2,745 15,746 8,747 1,761 1,764 27,765 5,766 2,767 7,773 7,777 0.8,786 1,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,827 30,833 7,834 1,837 1,838 1,844 1,854 13.667,855 9.917,856 6.583,857 3.489,858 3.584,859 1.443,860 1.025,861 5.777,862 11.669,863 3.818,864 4.394,865 4.989,866 5.574,867 5.994,868 6.327,869 6.779,870 7.214,871 7.418,872 7.657,873 1,874 40,875 11.065,877 4.662,878 7.439,879 21.937,881 18.461,883 1.939,884 58.167,888 294.278,889 121.203,890 89.931,895 121.203,896 294.278,897 89.931,899 15.598,900 83.916,901 102.662,902 42.128,903 13.915,904 247.193,906 294.278,907 211.134,911 235.422,912 58.856,915 84.459,916 76.564,917 50.112,919 294.278,920 89.931,921 121.203,924 294.278,925 29.014,926 97.213,927 34.796,928 50.112,929 294.278,930 89.931,931 121.203,933 0.571,934 0.332,935 0.181,936 0.087,937 23,938 8,939 0.131,940 8,941 1,942 1.08,943 4.512,944 259.91,945 0.08,946 25,947 143.207,951 19.286,952 8.986,953 4.581,954 2.466,955 71.247,956 20.004,957 12.204,958 3.413,961 3.572,962 1.944,963 34.796,964 505.412,965 44.5,975 56.549,976 64.64,977 0.242,978 0.635,979 0.845,980 0.94,981 0.94,982 0.94,983 5.032,984 1.538,985 5.872,986 4.654,987 4.533,988 5.081,989 1.038,990 6.632,991 4.452,992 6.2,993 1.274,994 7.388,995 3.429,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.783,1001 7.478,1002 1.08,1003 9.004,1004 3.223,1005 6.071,1006 7.251,1007 0.607,1008 10.5,1009 5.918,1010 8.796,1011 1,1012 10.682,1013 2.385,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.167,1019 10.152,1020 0.947,1021 12.403,1022 2.172,1023 7.889,1024 9.764,1025 0.359,1026 14.738,1027 7.674,1028 11.535,1029 0.767,1030 14.153,1031 2.136,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.352,1037 12.939,1038 0.678,1039 15.924,1040 1.811,1041 9.871,1042 12.487,1043 0.214,1044 19.176,1045 9.606,1046 3.119,1047 0.618,1048 17.713,1049 1.642,1050 10.779,1051 13.766,1052 0.125,1053 21.376,1054 10.495,1055 2.768,1056 10.433,1057 19.514,1058 1.372,1059 11.951,1060 15.334,1061 0.129,1062 23.72,1063 11.644,1064 2.723,1065 8.885,1066 21.325,1067 4.518,1068 12.961,1069 16.729,1070 0.082,1071 25.991,1072 12.638,1073 2.517,1074 7.88,1075 23.146,1076 3.732,1077 14.09,1078 18.253,1079 0.079,1080 28.321,1081 13.749,1082 2.1,1083 6.965,1084 24.973,1085 3.444,1086 15.15,1087 19.703,1088 0.054,1089 30.625,1090 14.796,1091 1.915,1092 6.088,1093 26.807,1094 2.828,1095 16.265,1096 21.211,1097 0.048,1098 32.954,1099 15.896,1100 1.768,1101 5.578,1102 28.646,1103 2.72,1104 17.352,1105 22.688,1106 0.035,1107 35.274,1108 16.971,1109 13760,1110 20955,1111 24.038,1112 37.654,1113 50.708,1114 50.312,1115 50.317,1116 50.319,1117 50.345,1118 65.716,1119 2.915,1120 139.103,1121 48.28,1122 5.527,1123 5.202,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1132 1.491,1133 1.48,1134 1.48,1135 1.48,1136 1.481,1137 1.933,1138 0.086,1139 4.091,1140 1.42,1141 4.154,1142 4.193,1143 4.114,1144 4.061,1145 5.135,1146 4.069,1147 3.921,1148 3.981,1149 3.833,1150 3.788,1151 4.929,1152 3.792,1153 3.851,1154 3.912,1155 3.792,1156 3.713,1157 4.889,1158 3.713,1159 3.815,1160 3.882,1161 3.736,1162 3.577,1163 4.387,1164 3.617,1165 3.469,1166 3.547,1167 3.336,1168 3.308,1169 4.254,1170 3.308,1171 3.345,1172 3.42,1173 3.217,1174 3.155,1175 4.118,1176 3.159,1177 3.193,1178 3.277,1179 3.045,1180 3,1181 3.846,1182 3.001,1183 2.974,1184 3.06,1185 2.808,1186 2.815,1187 3.821,1188 2.801,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.569,1195 0.133,1196 3.202,1197 0.024,1198 6.566,1199 0.307,1200 4.1,1201 0.09,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.317,1212 2.049,1213 1.851,1214 1.808,1215 1.989,1216 1.997,1217 1.268,1218 1.998,1219 1.691,1220 1.631,1221 1.9,1222 1.882,1223 1.115,1224 1.888,1225 1.668,1226 1.608,1227 1.876,1228 1.837,1229 1.04,1230 1.86,1231 1.441,1232 1.366,1233 1.655,1234 1.693,1235 0.895,1236 1.679,1237 1.377,1238 1.311,1239 1.546,1240 1.596,1241 0.699,1242 1.59,1243 1.263,1244 1.183,1245 1.506,1246 1.501,1247 0.585,1248 1.519,1249 1.078,1250 0.982,1251 1.357,1252 1.442,1253 0.515,1254 1.379,1255 4.234,1257 5.533,1258 3.434,1259 7.009,1260 5.687,1261 8.567,1262 7.678,1263 10.17,1271 7.679,1272 3.571,1275 0.719,1276 2.593,1280 35.418,1281 80.399,1282 211.142,1283 280.965,1284 312.475,1285 312.475,1286 312.475,1287 34.615,1288 8.085,1289 74.66,1290 74.66,1291 27,1292 12.536,1293 4.459,1294 3.524,1295 41.965,1296 150,1297 148,1298 0.133,1299 215.641,1300 354.3,1301 517.924,1302 44683,1304 20.175,1305 0.673,1306 0.568,1307 20.175,1308 17.037,1309 14.848,1310 0.437,1311 0.313,1312 10.485,1313 14.296,1314 10.293,1315 8.508,1316 14.848,1317 10.63,1318 12.936,1319 0.281,1320 0.175,1321 12.936,1322 8.07,1323 11.214,1324 0.184,1325 0.098,1326 11.214,1327 6.001,1328 9.419,1329 0.119,1330 0.055,1331 9.419,1332 4.336,1333 6.865,1334 0.077,1335 0.031,1336 6.865,1337 2.791,1338 0.218,1339 92.686,1340 0.204,1341 29.238,1342 0.342,1343 160,1344 386.891,1345 172.212,1346 384.104,1347 541.45,1348 364,1349 187,1350 412.955,1351 200.988,1352 420.908,1353 608.33,1354 396,1355 8.444} {0 CHEMBL349903,1 1.616,2 13.75,3 5.371,4 28.852,5 132.617,6 7.835,7 0.444,8 4.191,9 4.3,10 3.939,11 3.813,12 5.128,13 3.749,14 4.789,15 4.957,16 4.284,17 4.255,18 5.884,19 4.166,20 5.065,21 5.272,22 4.314,23 4.418,24 6.006,25 4.274,26 5.14,27 5.359,28 4.167,29 4.36,30 6.175,31 4.219,32 5.067,33 5.316,34 4.102,35 4.27,36 5.979,37 4.124,38 4.954,39 5.193,40 4.138,41 4.239,42 5.883,43 4.099,44 4.93,45 5.165,46 4.023,47 4.212,48 5.795,49 4.057,50 4.911,51 5.16,52 3.91,53 4.111,54 5.82,55 3.941,56 0.082,57 0.883,58 15.06,59 6.051,60 13.249,61 7.636,62 0.358,63 1.514,64 26.525,65 10.429,66 48.553,67 13.607,68 0.248,69 1.887,70 44.429,71 15.98,72 39.465,73 19.774,74 0.446,75 1.899,76 46.912,77 16.367,78 83.351,79 20.172,80 0.419,81 1.761,82 42.017,83 14.705,84 63.006,85 19.31,86 0.377,87 1.628,88 35.669,89 13.252,90 52.944,91 18.087,92 0.189,93 1.633,94 34.196,95 12.988,96 33.064,97 17.335,98 0.359,99 1.493,100 38.772,101 12.808,102 49.479,103 16.731,104 10,105 52,106 0.259,107 0.581,108 0.757,109 0.841,110 0.841,111 0.841,112 3.502,113 1.092,114 -4.69,115 -4.6,116 -4.33,119 41.7,121 4,125 5,134 1,135 1,140 7,141 3,142 2,149 1,150 1,169 12,171 3,172 5,176 3,178 15,182 8,186 3,189 15,193 12,197 1,199 10,203 5,206 1,208 1,211 10,215 9,220 2,222 10,226 7,231 2,233 6,237 7,240 1,244 12,249 2,256 13,259 1786,260 21.72,261 21.72,262 21.72,263 21.72,264 21.72,265 19.352,266 21.508,267 12.576,268 22.232,269 17.751,270 17.751,271 17.751,272 17.751,273 17.751,274 14.072,275 20.026,276 5.951,277 18.647,278 4.291,279 2.287,280 1.194,281 0.667,282 0.667,283 0.667,284 4.209,285 1,289 1,290 976,291 3.536,294 175.712,295 309.77,298 142.894,302 2.156,303 31.773,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67.833,315 440,316 4.932,317 4.726,318 7.666,319 4.435,320 3.512,321 4.759,322 0.8,323 13.611,324 3.217,325 4.568,326 3.199,327 6.566,328 4.106,329 3.117,330 4.515,331 0.657,332 10.433,333 3.082,334 4.102,335 2.98,336 6.098,337 3.737,338 2.746,339 3.552,341 8.891,342 2.72,343 3.852,344 2.898,345 5.588,346 3.465,347 2.534,348 3.407,350 7.027,351 2.358,352 3.56,353 2.83,354 5.368,355 3.362,356 2.438,357 2.751,359 6.8,360 2.228,361 3.372,362 2.492,363 5.106,364 3.009,365 2.052,366 2.508,368 5.956,369 1.974,370 3.241,371 2.146,372 5.01,373 2.887,374 1.943,375 2.445,377 5.797,378 1.784,379 3.063,380 1.721,381 4.503,382 2.537,383 1.572,384 2.257,386 4.477,387 1.474,388 2.739,389 1.482,390 4.201,391 2.333,392 1.349,393 1.817,395 3.647,396 1.324,397 2.604,398 1.397,399 4.069,400 2.217,401 1.256,402 1.556,404 3.26,405 1.195,406 2.5,407 1.351,408 3.52,409 2.107,410 1.13,411 1.5,413 2.737,414 1.096,415 2.343,416 1.228,417 3.414,418 2,419 1,420 1.325,422 2.275,423 1,424 2.136,425 1,426 3.414,427 1.984,428 1,429 1.048,431 2.275,432 0.983,433 2.05,434 0.85,435 3.263,436 1.721,437 0.762,438 0.987,440 1.797,441 0.729,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.914,452 0.497,453 0.841,454 0.026,455 39,456 1.219,457 18.5,458 0.578,459 20.5,460 0.641,461 30.368,462 0.949,463 34.486,464 0.575,465 29.227,466 0.913,467 7.157,468 0.224,469 8.346,470 0.261,471 0.087,472 0.052,473 0.27,479 0.526,480 1.343,481 0.726,482 1.132,483 0.598,484 0.948,485 0.732,486 1.034,487 0.762,488 0.849,489 0.508,490 0.908,491 0.893,492 1.116,493 1.138,494 1.192,495 0.712,496 1.066,497 1.404,498 1.05,499 1.073,500 1.084,501 1.624,502 1.057,503 1.023,504 0.895,505 0.62,506 0.779,507 1.268,508 0.906,509 0.38,510 1.022,511 0.645,512 0.923,513 0.348,514 0.971,515 0.671,516 1.154,517 0.841,518 1.048,519 0.487,520 1.087,521 1.093,522 0.922,523 1.082,524 0.963,525 0.977,526 1.021,527 7,528 0.204,529 4.889,530 2.201,531 1.343,532 1.166,533 0.745,534 0.421,535 0.297,536 0.261,537 16108,538 40076,539 2.147,540 46.7,542 18,543 1,545 1,547 8,550 1.741,551 2.032,552 3.713,553 -0.372,559 96.956,560 1.616,561 3.62,562 4.713,563 5.24,564 5.24,565 5.24,566 3.225,567 4.328,568 4.968,569 3.902,570 1935.23,571 8.672,572 28835.1,577 354.413,578 1.438,579 4.937,580 0.194,581 0.007,582 0.094,583 0.043,584 0.03,585 0.028,586 0.018,587 0.011,588 0.009,589 0.009,590 0.444,591 0.17,592 0.75,593 0.476,594 170.075,595 0.114,596 -0.155,597 0.154,598 -0.062,599 -0.099,600 0.027,601 0.162,602 0.1,603 0.051,604 0.092,605 0.236,606 0.028,607 -0.052,608 -0.065,609 -0.087,610 -0.105,611 0.068,612 -0.066,613 -0.174,614 -0.076,615 -0.139,616 -0.086,617 -0.111,618 -0.089,619 -0.046,620 0.047,621 0.105,622 0.105,623 -0.119,624 0.059,625 0.258,626 -0.052,627 0.145,628 -0.014,629 0.179,630 0.02,631 -0.01,632 -0.14,633 -0.025,634 -0.104,635 0.043,636 -0.106,637 -0.09,638 0.035,639 -0.07,640 -0.016,641 -0.042,642 -0.041,643 4.429,644 5.953,645 0.813,646 37.164,647 0.997,648 1.12,649 3.457,650 11.953,651 0.689,652 3.611,653 3.97,654 4.263,655 4.489,656 4.673,657 4.82,658 4.977,659 5.081,660 5.193,661 5.38,662 7.88,663 0.639,664 470.08,665 3.611,666 5.176,667 6.043,668 6.93,669 7.812,670 8.704,671 9.59,672 10.486,673 11.376,674 12.273,675 5,678 2,683 1,687 2,688 8,690 1,693 4,695 16,713 1,714 60,716 19,717 2,718 36,720 64,721 25,722 14,723 5,724 7,725 2,730 5,731 6,732 1,740 3,743 4,745 16,746 9,750 3,753 1,755 2,757 1,759 1,764 28,765 4,766 1,767 7,768 2,773 3,777 0.8,778 2,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,824 1,827 32,830 1,833 9,838 2,846 1,847 3.3,850 2,854 15.75,855 10.543,856 6.833,857 3.833,858 3.345,859 1.405,860 1.035,861 6.238,862 11.613,863 3.871,864 4.508,865 5.074,866 5.608,867 6.108,868 6.476,869 6.858,870 7.166,871 7.364,872 7.748,873 1,874 51,875 12.135,877 5.507,878 7.647,879 23.475,881 20.496,883 2.147,884 68.694,888 317.82,889 130.657,890 21.428,891 39.149,892 44.313,894 5.807,895 124.849,896 401.281,897 21.428,899 20.667,900 90.665,901 44.313,902 38.609,903 13.915,904 306.049,905 39.149,906 317.82,907 146.278,908 44.313,909 44.956,911 223.651,912 138.482,915 42.095,916 94.706,917 54.432,919 317.82,920 65.741,921 169.805,923 5.807,924 317.82,925 39.992,926 89.5,927 16.786,928 83.462,929 317.82,930 65.741,931 169.805,933 0.594,934 0.35,935 0.177,936 0.088,937 27,938 11,939 0.094,940 6,941 1,942 1.077,943 4.423,944 297.715,945 0.077,946 26,947 150,950 1,951 21.875,952 9.126,953 4.597,954 2.437,955 48.956,956 15.057,958 3.408,961 3.361,963 16.786,964 553.366,965 47,968 -3.512,970 25.906,972 2.05,974 1.209,975 59.847,976 67.175,977 0.274,978 0.613,979 0.798,980 0.887,981 0.887,982 0.887,983 5.136,984 1.572,985 6.057,986 5.797,987 4.654,988 5.196,989 1.038,990 6.919,991 4.561,992 6.366,993 1.349,994 7.657,995 4.477,996 4.369,997 5.255,998 0.325,999 8.132,1000 4.172,1001 7.718,1002 1.256,1003 9.374,1004 3.647,1005 6.337,1006 7.518,1007 0.607,1008 11.208,1009 6.144,1010 9.116,1011 1.13,1012 11.169,1013 3.26,1014 6.919,1015 8.449,1016 0.268,1017 13.321,1018 6.622,1019 10.554,1020 1,1021 13.017,1022 2.737,1023 8.373,1024 10.23,1025 0.359,1026 16.015,1027 8.063,1028 12.022,1029 1,1030 14.905,1031 2.275,1032 9.325,1033 11.518,1034 0.188,1035 18.446,1036 8.916,1037 13.513,1038 0.762,1039 16.823,1040 2.275,1041 10.61,1042 13.14,1043 0.214,1044 21.058,1045 10.164,1046 3.512,1047 0.618,1048 18.764,1049 1.797,1050 11.721,1051 14.574,1052 0.125,1053 23.599,1054 11.181,1055 3.117,1056 13.611,1057 20.723,1058 1.372,1059 12.956,1060 16.141,1061 0.129,1062 26.198,1063 12.358,1064 2.746,1065 10.433,1066 22.697,1067 4.759,1068 14.136,1069 17.637,1070 0.082,1071 28.778,1072 13.448,1073 2.534,1074 8.891,1075 24.683,1076 4.515,1077 15.362,1078 19.186,1079 0.079,1080 31.379,1081 14.602,1082 2.438,1083 7.027,1084 26.678,1085 3.552,1086 16.572,1087 20.708,1088 0.054,1089 33.975,1090 15.723,1091 2.052,1092 6.8,1093 28.681,1094 3.407,1095 17.802,1096 22.251,1097 0.048,1098 36.579,1099 16.871,1100 1.943,1101 5.956,1102 30.69,1103 2.751,1104 19.028,1105 23.786,1106 0.035,1107 39.183,1108 18.007,1109 14859,1110 23764,1111 24.444,1112 41.33,1113 54.629,1114 55.971,1115 55.107,1116 55.042,1117 54.753,1118 70.892,1119 2.915,1120 162.38,1121 52.198,1122 5.883,1123 6.726,1124 7.296,1125 5.488,1126 5.512,1127 7.759,1128 1.457,1129 21.573,1130 5.217,1131 13.083,1132 1.517,1133 1.555,1134 1.531,1135 1.529,1136 1.521,1137 1.969,1138 0.081,1139 4.511,1140 1.45,1141 4.163,1142 4.189,1143 4.743,1144 4.109,1145 7.715,1146 4.086,1147 4.072,1148 4.06,1149 4.1,1150 4.037,1151 6.999,1152 3.976,1153 3.848,1154 3.917,1155 3.927,1156 3.714,1157 4.969,1158 3.709,1159 3.789,1160 3.831,1161 3.717,1162 3.668,1163 4.924,1164 3.664,1165 3.571,1166 3.565,1167 3.659,1168 3.514,1169 4.472,1170 3.45,1171 3.397,1172 3.437,1173 3.29,1174 3.294,1175 4.338,1176 3.266,1177 3.213,1178 3.284,1179 3.156,1180 3.028,1181 4.258,1182 3.023,1183 3.035,1184 3.126,1185 3.062,1186 2.873,1187 4.13,1188 2.845,1189 0.137,1190 0.131,1191 0.213,1192 0.123,1193 0.098,1194 4.932,1195 0.132,1196 4.726,1197 0.022,1198 7.666,1199 0.378,1200 4.435,1201 0.089,1202 3.512,1203 4.759,1204 0.8,1205 13.611,1206 3.217,1207 2.01,1208 2.002,1209 2.087,1210 2.091,1211 1.357,1212 2.116,1213 1.944,1214 1.942,1215 1.958,1216 2.003,1217 1.249,1218 2.027,1219 1.742,1220 1.702,1221 1.91,1222 1.884,1223 1.211,1224 1.897,1225 1.667,1226 1.608,1227 1.86,1228 1.856,1229 1.138,1230 1.861,1231 1.577,1232 1.507,1233 1.846,1234 1.751,1235 1.051,1236 1.793,1237 1.428,1238 1.398,1239 1.639,1240 1.659,1241 0.873,1242 1.659,1243 1.356,1244 1.349,1245 1.435,1246 1.478,1247 0.702,1248 1.522,1249 1.109,1250 1.034,1251 1.404,1252 1.335,1253 0.573,1254 1.373,1255 4.29,1257 5.638,1258 3.045,1259 7.177,1260 5.283,1261 8.799,1262 7.273,1263 10.465,1266 5.909,1271 8.787,1276 4.081,1280 38.357,1281 96.956,1282 217.174,1283 282.762,1284 314.413,1285 314.413,1286 314.413,1287 57.896,1288 8.268,1289 56.41,1290 64.79,1291 28,1292 12.798,1293 4.322,1294 3.585,1295 45.944,1296 152,1297 150,1298 0.146,1299 238.032,1300 409.74,1301 572.558,1302 50752,1303 1.7,1304 22.131,1305 0.692,1306 0.613,1307 22.881,1308 19.63,1309 15.503,1310 0.431,1311 0.364,1312 11.332,1313 14.033,1314 10.949,1315 8.974,1316 16.581,1317 13.099,1318 14.452,1319 0.278,1320 0.212,1321 16.179,1322 11.044,1323 12.582,1324 0.18,1325 0.126,1326 14.211,1327 8.789,1328 10.088,1329 0.115,1330 0.071,1331 11.332,1332 6.263,1333 7.602,1334 0.072,1335 0.041,1336 8.759,1337 4.341,1338 0.235,1339 106.7,1340 0.202,1341 30.315,1342 0.388,1343 176,1344 446.158,1345 241.931,1346 487.537,1347 663.13,1348 452,1349 210,1350 441.981,1351 278.763,1352 497.412,1353 731.65,1354 469,1355 8.032} {0 CHEMBL350153,1 1.405,2 15.471,3 4.485,4 20.115,5 137.517,6 6.581,7 0.421,8 4.328,9 4.462,10 3.804,11 3.846,12 5.273,13 3.804,14 4.93,15 5.133,16 4.159,17 4.284,18 5.818,19 4.213,20 5.183,21 5.41,22 4.125,23 4.451,24 5.971,25 4.314,26 5.352,27 5.635,28 4.019,29 4.441,30 6.078,31 4.269,32 5.231,33 5.508,34 4.013,35 4.389,36 5.942,37 4.226,38 5.234,39 5.51,40 4.017,41 4.389,42 5.96,43 4.23,44 5.19,45 5.46,46 4.001,47 4.343,48 5.94,49 4.189,50 5.142,51 5.42,52 3.919,53 4.264,54 5.881,55 4.108,56 0.063,57 1.029,58 16.669,59 6.6,60 9.832,61 9.458,62 0.494,63 1.721,64 31.889,65 10.847,66 34.28,67 16.187,68 0.252,69 2.086,70 40.335,71 15.451,72 27.776,73 22.556,74 0.517,75 2.225,76 49.202,77 17.191,78 52.887,79 25.481,80 0.333,81 2.056,82 42.856,83 15.884,84 36.973,85 23.599,86 0.334,87 2.058,88 43.126,89 15.645,90 38.363,91 23.339,92 0.332,93 1.974,94 41.243,95 15.019,96 38.445,97 22.267,98 0.369,99 1.866,100 39.554,101 13.747,102 34.847,103 20.768,104 10,105 53,106 0.22,107 0.528,108 0.762,109 0.861,110 0.882,111 0.882,112 3.56,113 0.985,114 -3.93,115 -3.88,116 -3.68,119 40,121 3,122 1,124 2,125 6,127 1,140 8,141 4,149 1,150 1,157 1,169 14,171 3,172 6,176 3,178 14,182 6,186 3,189 10,192 1,193 7,197 1,199 7,203 7,206 1,208 1,211 7,215 9,222 6,226 9,229 1,231 2,233 5,237 5,240 1,244 6,248 1,249 3,252 2,256 7,259 2248,260 23.187,261 23.187,262 23.187,263 23.187,264 23.187,265 21.176,266 28.052,267 13.687,268 23.661,269 18.782,270 18.782,271 18.782,272 18.782,273 18.782,274 15.717,275 33.244,276 6.576,277 19.506,278 4.725,279 2.764,280 1.272,281 0.643,282 0.507,283 0.507,284 4.267,289 1,290 1161,291 3.606,294 284.734,295 227.361,298 153.046,302 2.471,303 20.319,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 72,315 526,316 4.552,317 3.819,318 6.549,319 4.09,320 3.105,321 4.504,322 2.208,323 10.37,324 3.061,325 4.103,326 3.185,327 6.371,328 3.921,329 2.983,330 3.455,331 0.916,332 9.553,333 2.789,334 3.936,335 3.026,336 5.705,337 3.742,338 2.785,339 3.269,340 0.8,341 8.058,342 2.669,343 3.759,344 2.878,345 5.463,346 3.556,347 2.583,348 3.077,349 0.655,350 7.335,351 2.522,352 3.689,353 2.779,354 5.371,355 3.348,356 2.358,357 2.777,358 0.172,359 6.959,360 2.327,361 3.365,362 2.42,363 5.133,364 3.131,365 2.186,366 2.662,367 0.13,368 6.185,369 2.059,370 3.252,371 2.358,372 5.004,373 2.936,374 1.961,375 2.329,377 5.833,378 1.903,379 2.99,380 2.093,381 4.804,382 2.697,383 1.732,384 2.026,386 4.996,387 1.664,388 2.91,389 1.88,390 4.54,391 2.67,392 1.691,393 2.01,395 4.718,396 1.64,397 2.73,398 1.763,399 4.143,400 2.371,401 1.383,402 1.812,404 3.457,405 1.364,406 2.653,407 1.487,408 3.836,409 2.237,410 1.258,411 1.675,413 2.987,414 1.229,415 2.5,416 1.318,417 3.569,418 2.028,419 1.16,420 1.5,422 2.819,423 1,424 2.226,425 1.071,426 3.345,427 2,428 1,429 1.17,431 2.136,432 1,433 2.163,434 1,435 3.275,436 1.842,437 0.878,438 1.118,440 2.042,441 0.844,442 1.797,443 0.926,444 3.247,445 1.7,446 0.727,447 0.768,449 1.737,450 0.705,451 16.267,452 0.478,453 0.797,454 0.023,455 38,456 1.118,457 15.5,458 0.456,459 22.5,460 0.662,461 34.387,462 1.011,463 37.733,464 0.539,465 28.048,466 0.825,467 7.438,468 0.219,469 9.109,470 0.268,471 0.082,473 0.32,479 0.835,480 1.491,481 0.895,482 1.213,483 0.599,484 1.08,485 1.025,486 0.974,487 1.015,488 0.881,489 0.555,490 0.921,491 0.796,492 1.259,493 1.135,494 1.27,495 0.659,496 1.24,497 1.094,498 0.919,499 1.022,500 0.93,501 1.163,502 0.966,503 0.649,504 1.005,505 0.924,506 1.009,507 0.628,508 0.996,509 0.77,510 1.002,511 0.958,512 1.003,513 0.534,514 0.996,515 0.78,516 1.063,517 0.956,518 1.047,519 0.815,520 1.024,521 0.803,522 1.024,523 0.971,524 1.009,525 0.688,526 1.001,527 7,528 0.147,529 3.333,530 2.528,531 1.249,532 0.893,533 0.632,534 0.438,535 0.339,536 0.194,537 20405,538 43489,539 2.145,540 51.4,542 27,543 1,545 1,547 6,548 1,550 1.755,551 2.04,552 3.879,553 -0.421,559 98.327,560 1.405,561 3.365,562 4.858,563 5.486,564 5.622,565 5.622,566 3.349,567 4.712,568 5.058,569 4.086,570 2292.14,571 8.839,572 37581.5,577 429.05,578 1.286,579 5.033,580 0.184,581 0.005,582 0.063,583 0.053,584 0.03,585 0.021,586 0.015,587 0.01,588 0.009,589 0.006,590 0.396,591 0.5,592 0.75,593 0.459,594 187.048,595 0.021,596 -0.236,597 0.083,598 -0.081,599 0.015,600 -0.008,601 0.109,602 0.199,603 -0.001,604 0.132,605 0.123,606 0.071,607 -0.054,608 -0.191,609 -0.176,610 -0.225,611 -0.002,612 -0.214,613 -0.087,614 0.027,615 -0.035,616 0.035,617 -0.1,618 0.007,619 0.031,620 -0.028,621 0.032,622 -0.013,623 0.013,624 0.006,625 -0.02,626 -0.018,627 0.005,628 -0.013,629 0.031,631 0.02,632 -0.078,633 0.012,634 -0.053,635 -0.008,636 -0.027,637 0.032,638 -0.035,639 0.004,640 -0.04,641 0.027,642 -0.021,643 1.886,644 4.667,645 0.735,646 45.014,647 0.989,648 1.129,649 2.698,650 7.282,651 0.644,652 3.664,653 3.989,654 4.248,655 4.5,656 4.615,657 4.673,658 4.836,659 5.011,660 5.1,661 5.226,662 8.945,663 0.599,664 460.68,665 3.664,666 5.209,667 6.057,668 6.929,669 7.788,670 8.662,671 9.527,672 10.404,673 11.272,674 12.15,675 5.7,678 2,682 1,683 1,687 2,688 9,690 1,693 3,695 16,714 70,716 17,717 2,718 38,720 74,721 28,722 14,723 4,724 8,730 5,731 6,740 2,741 1,743 4,745 15,746 13,747 1,750 1,755 1,759 1,764 36,765 5,766 1,767 6,773 4,777 0.8,778 2,788 1,789 1,792 3,793 2,796 1,815 2,816 1,819 4,823 2,827 34,833 9,835 1,837 2,838 3,847 2.9,850 1,852 1,854 16.667,855 12.85,856 7.361,857 4.301,858 2.965,859 1.353,860 0.987,861 7.236,862 11.354,863 3.871,864 4.416,865 4.937,866 5.471,867 5.91,868 6.127,869 6.509,870 6.899,871 6.944,872 7.2,873 1,874 48,875 12.634,877 5.351,878 7.475,879 25.173,881 21.427,883 1.975,884 67.167,888 411.989,889 145.411,890 26.158,892 36.145,895 145.411,896 448.133,897 26.158,898 16.793,899 25.849,900 84.857,901 25.145,902 46.164,903 20.678,904 400.217,906 411.989,907 171.569,908 36.145,911 329.591,912 118.543,915 48.883,916 122.686,919 411.989,920 62.303,921 145.411,924 411.989,925 43.761,926 111.023,927 16.786,928 36.145,929 411.989,930 62.303,931 145.411,933 0.584,934 0.337,935 0.179,936 0.088,937 26,938 11,939 0.122,940 9,941 1,942 1.08,943 4.731,944 309.151,945 0.08,946 25,947 168.974,951 23.406,952 10.511,953 5.675,954 2.497,955 45.518,956 19.544,958 3.444,961 4.025,963 16.786,964 619.703,965 47,970 11.667,974 -0.219,975 69.199,976 79.055,977 0.229,978 0.549,979 0.793,980 0.895,981 0.917,982 0.917,983 5.124,984 1.732,985 6.033,986 5.833,987 4.673,988 5.103,989 2.537,990 6.815,991 4.601,992 6.292,993 1.691,994 7.572,995 4.996,996 4.205,997 4.82,998 1.961,999 7.615,1000 4.096,1001 7.575,1002 1.383,1003 9.205,1004 4.718,1005 6.244,1006 7.208,1007 3.568,1008 10.701,1009 6.105,1010 8.89,1011 1.258,1012 10.894,1013 3.457,1014 6.608,1015 7.811,1016 3.676,1017 12.349,1018 6.427,1019 10.239,1020 1.16,1021 12.62,1022 2.987,1023 8.089,1024 9.68,1025 4.962,1026 14.927,1027 7.884,1028 11.613,1029 1,1030 14.372,1031 2.819,1032 8.838,1033 10.729,1034 5.373,1035 16.943,1036 8.592,1037 13.006,1038 0.878,1039 16.144,1040 2.136,1041 10.092,1042 12.385,1043 6.459,1044 19.346,1045 9.824,1046 3.105,1047 0.727,1048 17.932,1049 2.042,1050 11.026,1051 13.666,1052 7.028,1053 21.527,1054 10.722,1055 2.983,1056 10.37,1057 19.733,1058 1.737,1059 12.186,1060 15.231,1061 7.994,1062 23.869,1063 11.86,1064 2.785,1065 9.553,1066 21.544,1067 4.504,1068 13.209,1069 16.628,1070 8.654,1071 26.124,1072 12.851,1073 2.583,1074 8.058,1075 23.364,1076 3.455,1077 14.332,1078 18.154,1079 9.549,1080 28.447,1081 13.953,1082 2.358,1083 7.335,1084 25.191,1085 3.269,1086 15.398,1087 19.608,1088 10.263,1089 30.737,1090 14.992,1091 2.186,1092 6.959,1093 27.025,1094 3.077,1095 16.508,1096 21.119,1097 11.116,1098 33.055,1099 16.083,1100 1.961,1101 6.185,1102 28.864,1103 2.777,1104 17.595,1105 22.6,1106 11.862,1107 35.362,1108 17.148,1109 18854,1110 27713,1111 25.948,1112 45.114,1113 57.235,1114 57.91,1115 57.969,1116 56.792,1117 56.76,1118 69.656,1119 9.763,1120 161.272,1121 54.698,1122 5.515,1123 5.819,1124 6.351,1125 5.14,1126 5.105,1127 7.504,1128 3.912,1129 17.043,1130 5.061,1131 14.079,1132 1.506,1133 1.524,1134 1.526,1135 1.495,1136 1.494,1137 1.833,1138 0.257,1139 4.244,1140 1.439,1141 4.146,1142 4.181,1143 4.1,1144 4.065,1145 7.433,1146 4.07,1147 3.946,1148 3.996,1149 3.86,1150 3.862,1151 4.961,1152 3.855,1153 3.859,1154 3.91,1155 3.759,1156 3.729,1157 4.756,1158 3.726,1159 3.824,1160 3.866,1161 3.745,1162 3.621,1163 4.53,1164 3.641,1165 3.54,1166 3.614,1167 3.422,1168 3.381,1169 4.381,1170 3.384,1171 3.459,1172 3.52,1173 3.339,1174 3.261,1175 4.27,1176 3.269,1177 3.277,1178 3.357,1179 3.116,1180 3.088,1181 4.149,1182 3.088,1183 3.089,1184 3.189,1185 2.888,1186 2.885,1187 3.906,1188 2.871,1189 0.12,1190 0.1,1191 0.172,1192 0.108,1193 0.082,1194 4.552,1195 0.119,1196 3.819,1197 0.058,1198 6.549,1199 0.273,1200 4.09,1201 0.081,1202 3.105,1203 4.504,1204 2.208,1205 10.37,1206 3.061,1207 1.972,1208 1.949,1209 2.069,1210 2.048,1211 1.337,1212 2.057,1213 1.917,1214 1.884,1215 2.052,1216 2.019,1217 1.324,1218 2.032,1219 1.705,1220 1.645,1221 1.92,1222 1.885,1223 1.209,1224 1.896,1225 1.678,1226 1.62,1227 1.887,1228 1.854,1229 1.15,1230 1.874,1231 1.581,1232 1.518,1233 1.784,1234 1.798,1235 1.036,1236 1.796,1237 1.439,1238 1.365,1239 1.689,1240 1.667,1241 0.899,1242 1.672,1243 1.362,1244 1.278,1245 1.624,1246 1.615,1247 0.801,1248 1.622,1249 1.296,1250 1.253,1251 1.579,1252 1.594,1253 0.655,1254 1.583,1255 4.344,1257 5.666,1258 3.434,1259 7.157,1260 5.778,1261 8.722,1262 7.818,1263 10.329,1265 4.063,1271 9.304,1273 5.176,1275 0.866,1276 6.8,1280 41.944,1281 98.327,1282 235.554,1283 340.03,1284 384.03,1285 393.54,1286 393.54,1287 51.49,1288 8.389,1289 51.81,1290 51.81,1291 27,1292 12.689,1293 4.17,1294 3.322,1295 50.353,1296 184,1297 180,1298 0.13,1299 254.14,1300 438.92,1301 611.86,1302 65389,1304 23.493,1305 0.691,1306 0.599,1307 23.493,1308 20.373,1309 16.547,1310 0.435,1311 0.328,1312 12.318,1313 15.979,1314 11.954,1315 9.904,1316 16.547,1317 12.482,1318 15.053,1319 0.284,1320 0.191,1321 15.053,1322 10.127,1323 12.732,1324 0.185,1325 0.108,1326 12.732,1327 7.471,1328 10.499,1329 0.118,1330 0.062,1331 10.499,1332 5.501,1333 7.781,1334 0.078,1335 0.036,1336 7.781,1337 3.563,1338 0.213,1339 103.152,1340 0.196,1341 32.32,1342 0.334,1343 182,1344 432.739,1345 196.054,1346 419.811,1347 579.03,1348 396,1349 213,1350 423.753,1351 228.528,1352 435.565,1353 635,1354 406,1355 8.633} {0 CHEMBL351036,1 1.487,2 14.531,3 5.953,4 35.433,5 140.331,6 7.625,7 0.444,8 4.198,9 4.328,10 3.802,11 3.807,12 5.153,13 3.748,14 4.772,15 4.958,16 4.187,17 4.239,18 5.669,19 4.151,20 5.052,21 5.283,22 4.205,23 4.39,24 5.885,25 4.24,26 5.07,27 5.32,28 4.103,29 4.362,30 5.859,31 4.177,32 5.027,33 5.293,34 4.044,35 4.296,36 5.787,37 4.107,38 4.91,39 5.144,40 4.131,41 4.251,42 5.744,43 4.099,44 4.941,45 5.177,46 3.939,47 4.226,48 5.727,49 4.072,50 4.966,51 5.246,52 3.858,53 4.161,54 5.677,55 3.965,56 0.083,57 0.889,58 12.773,59 5.582,60 7.553,61 7.74,62 0.191,63 1.53,64 25.874,65 9.665,66 18.349,67 13.594,68 0.283,69 1.904,70 39.802,71 14.207,72 31.438,73 19.455,74 0.254,75 1.902,76 42.257,77 15.657,78 32.78,79 20.905,80 0.269,81 1.842,82 42.965,83 15.717,84 31.983,85 20.445,86 0.252,87 1.643,88 38.038,89 13.14,90 31.08,91 17.461,92 0.256,93 1.685,94 32.493,95 12.256,96 25.463,97 17.327,98 0.259,99 1.658,100 36.032,101 13.514,102 26.576,103 18.782,104 5,105 50,106 0.239,107 0.586,108 0.762,109 0.845,110 0.852,111 0.852,112 3.502,113 1.023,114 -5.75,115 -5.61,116 -5.23,119 42.6,121 4,125 5,134 1,135 1,140 7,141 4,142 1,149 1,150 1,156 1,166 1,169 14,172 5,176 4,178 17,182 3,186 7,189 15,193 4,197 4,199 11,203 5,206 1,208 2,211 8,215 4,220 5,222 9,226 4,231 4,233 9,237 3,240 1,242 1,244 10,253 1,254 1,256 14,259 1882,260 22.032,261 22.032,262 22.032,263 22.032,264 22.032,265 19.814,266 22.313,267 12.991,268 22.503,269 17.78,270 17.78,271 17.78,272 17.78,273 17.78,274 14.377,275 22.463,276 6.209,277 18.607,278 4.444,279 2.283,280 1.187,281 0.668,282 0.623,283 0.623,284 4.212,285 1,289 1,290 1034,291 3.24,294 176.946,295 315.75,298 144.334,302 2.373,303 15.462,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 66.333,315 465,316 4.568,317 3.793,318 6.566,319 4.109,320 3.12,321 4.515,322 1.058,323 10.433,324 3.087,325 4.193,326 3.201,327 6.106,328 3.823,329 2.865,330 3.758,331 0.8,332 8.925,333 2.763,334 4.108,335 2.996,336 6.051,337 3.735,338 2.752,339 3.554,340 0.657,341 8.692,342 2.681,343 3.69,344 2.912,345 5.369,346 3.467,347 2.536,348 3.029,350 7.028,351 2.36,352 3.561,353 2.834,354 5.32,355 3.339,356 2.403,357 2.756,359 6.877,360 2.25,361 3.42,362 2.56,363 5.105,364 3.087,365 2.188,366 2.524,368 5.965,369 1.954,370 3.319,371 2.147,372 5.002,373 2.956,374 1.974,375 2.493,377 5.923,378 1.865,379 2.995,380 2.032,381 4.43,382 2.51,383 1.536,384 2.117,386 4.349,387 1.489,388 2.735,389 1.649,390 4.119,391 2.328,392 1.343,393 1.791,395 3.442,396 1.321,397 2.665,398 1.401,399 3.997,400 2.174,401 1.246,402 1.647,404 3.198,405 1.157,406 2.5,407 1.396,408 3.52,409 2.1,410 1.155,411 1.5,413 2.74,414 1.051,415 2.345,416 1.235,417 3.414,418 2,419 1,420 1.329,422 2.275,423 1,424 2.137,425 1,426 3.414,427 1.984,428 1,429 1.048,431 2.275,432 0.983,433 2.058,434 0.86,435 3.262,436 1.729,437 0.77,438 0.998,440 1.806,441 0.736,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 16.148,452 0.505,453 0.691,454 0.022,455 37.25,456 1.164,457 17,458 0.531,459 20.25,460 0.633,461 31.212,462 0.975,463 33.652,464 0.552,465 26.116,466 0.816,467 7.051,468 0.22,469 8.602,470 0.269,471 0.096,473 0.297,479 0.803,480 1.152,481 0.641,482 0.857,483 0.633,484 0.898,485 1.133,486 1.111,487 0.735,488 0.852,489 0.613,490 0.919,491 1.088,492 1.046,493 0.931,494 0.975,495 0.804,496 1.025,497 0.871,498 1.043,499 0.939,500 1.029,501 0.959,502 1.044,503 0.68,504 0.974,505 0.913,506 1.024,507 0.899,508 0.925,509 0.707,510 1.107,511 0.787,512 1.013,513 0.707,514 0.996,515 0.903,516 1.147,517 0.817,518 1.026,519 0.86,520 1.149,521 0.756,522 0.923,523 0.705,524 0.851,525 0.696,526 0.962,527 6,528 0.115,529 3.778,530 1.451,531 1.383,532 1.062,533 0.501,534 0.327,535 0.37,536 0.148,537 17044,538 39827,539 2.174,540 47.5,542 18,543 1,545 2,547 8,550 1.74,551 2.087,552 3.8,553 0.146,559 90.682,560 1.487,561 3.648,562 4.744,563 5.263,564 5.308,565 5.308,566 3.3,567 4.39,568 4.967,569 3.99,570 1979.13,571 8.663,572 30327.8,577 361.775,578 1.198,579 4.954,580 0.167,581 0.004,582 0.076,583 0.031,584 0.034,585 0.027,586 0.012,587 0.009,588 0.012,589 0.005,590 0.375,591 0.17,592 0.63,593 0.406,594 171.702,595 0.078,596 -0.018,597 0.03,598 0.009,599 0.033,600 0.028,601 -0.098,602 -0.01,603 0.008,604 0.016,605 0.094,606 0.003,607 -0.107,608 -0.029,609 -0.052,610 -0.04,611 0.062,612 -0.064,613 -0.051,614 -0.062,615 -0.032,616 -0.037,617 -0.052,618 -0.056,619 0.065,620 0.016,621 0.035,622 0.037,623 -0.004,624 0.078,625 0.111,626 -0.099,627 0.078,628 -0.035,629 0.121,630 -0.017,631 -0.04,632 -0.15,633 -0.11,634 -0.171,635 -0.143,636 -0.203,637 0.044,638 0.014,639 0.073,640 0.05,641 0.041,642 0.013,643 0.944,644 1.899,645 0.813,646 40.789,647 0.988,648 1.119,649 4.52,650 20.432,651 0.696,652 3.611,653 3.932,654 4.205,655 4.443,656 4.635,657 4.736,658 4.875,659 5.043,660 5.147,661 5.263,662 8.335,663 0.639,664 465.11,665 3.611,666 5.153,667 6.004,668 6.872,669 7.736,670 8.608,671 9.478,672 10.353,673 11.226,674 12.105,675 6.6,678 2,682 1,683 1,687 2,688 8,690 1,693 4,695 16,713 1,714 61,716 18,717 2,718 36,720 65,721 26,722 14,723 5,724 7,725 3,730 5,731 6,732 1,740 3,743 4,745 17,746 9,750 2,756 1,757 1,759 2,764 29,765 3,766 2,767 6,768 2,773 4,776 1,777 0.8,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,824 1,827 32,833 9,834 1,838 2,846 1,854 15.333,855 10.71,856 6.944,857 3.919,858 3.328,859 1.402,860 1.028,861 6.834,862 11.595,863 3.85,864 4.428,865 5.003,866 5.555,867 6.053,868 6.375,869 6.753,870 7.108,871 7.262,872 7.543,873 0.9,874 47,875 11.839,877 5.019,878 7.425,879 23.604,881 20.1,883 1.925,884 61.611,888 317.82,889 172.389,890 40.8,891 39.149,894 45.192,895 127.197,896 356.968,897 40.8,899 38.555,900 84.857,901 0.713,902 41.728,903 13.915,904 306.049,905 84.341,906 317.82,907 167.997,909 84.341,911 223.651,912 94.169,915 61.467,916 97.055,917 48.625,918 45.192,919 317.82,920 40.8,921 211.538,924 317.82,925 42.34,926 90.984,927 34.674,928 84.341,929 317.82,930 40.8,931 211.538,933 0.583,934 0.338,935 0.176,936 0.09,937 25,938 10,939 0.092,940 6,941 1,942 1.077,943 4.551,944 289.006,945 0.077,946 26,947 152,949 1,951 21.961,952 9.959,953 5.225,954 2.602,955 24.014,956 16.695,958 3.463,961 4.473,963 34.674,964 570.158,965 46,971 5.566,972 2.318,974 2.143,975 60.294,976 68.255,977 0.251,978 0.615,979 0.8,980 0.887,981 0.895,982 0.895,983 5.094,984 1.536,985 5.974,986 5.923,987 4.615,988 5.115,989 1.622,990 6.753,991 4.532,992 6.279,993 1.343,994 7.512,995 4.349,996 4.111,997 4.879,998 0.325,999 7.573,1000 3.948,1001 7.575,1002 1.246,1003 9.145,1004 3.442,1005 6.184,1006 7.288,1007 1.469,1008 10.645,1009 6.04,1010 8.907,1011 1.155,1012 10.836,1013 3.198,1014 6.524,1015 7.94,1016 0.268,1017 12.311,1018 6.325,1019 10.273,1020 1,1021 12.565,1022 2.74,1023 8.02,1024 9.804,1025 1.445,1026 14.876,1027 7.83,1028 11.663,1029 1,1030 14.32,1031 2.275,1032 8.746,1033 10.879,1034 0.188,1035 16.899,1036 8.526,1037 13.072,1038 0.77,1039 16.093,1040 2.275,1041 10.007,1042 12.523,1043 1.478,1044 19.294,1045 9.787,1046 3.12,1047 0.618,1048 17.882,1049 1.806,1050 10.923,1051 13.811,1052 0.125,1053 21.478,1054 10.685,1055 2.865,1056 10.433,1057 19.682,1058 1.372,1059 12.084,1060 15.362,1061 1.54,1062 23.817,1063 11.843,1064 2.752,1065 8.925,1066 21.491,1067 4.515,1068 13.094,1069 16.756,1070 0.082,1071 26.075,1072 12.843,1073 2.536,1074 8.692,1075 23.309,1076 3.758,1077 14.217,1078 18.272,1079 1.615,1080 28.397,1081 13.961,1082 2.403,1083 7.028,1084 25.132,1085 3.554,1086 15.275,1087 19.719,1088 0.054,1089 30.691,1090 15.012,1091 2.188,1092 6.877,1093 26.962,1094 3.029,1095 16.385,1096 21.221,1097 1.699,1098 33.013,1099 16.117,1100 1.974,1101 5.965,1102 28.797,1103 2.756,1104 17.469,1105 22.696,1106 0.035,1107 35.326,1108 17.194,1109 15663,1110 24188,1111 24.849,1112 42.427,1113 53.99,1114 55.624,1115 54.354,1116 54.03,1117 53.719,1118 68.167,1119 5.031,1120 152.295,1121 51.279,1122 5.519,1123 5.793,1124 6.196,1125 5.149,1126 5.12,1127 7.515,1128 2.117,1129 17.105,1130 5.087,1131 11.082,1132 1.5,1133 1.545,1134 1.51,1135 1.501,1136 1.492,1137 1.894,1138 0.14,1139 4.23,1140 1.424,1141 4.149,1142 4.182,1143 4.114,1144 4.074,1145 4.998,1146 4.077,1147 3.928,1148 3.958,1149 4.057,1150 3.888,1151 4.955,1152 3.869,1153 3.849,1154 3.917,1155 3.827,1156 3.71,1157 4.769,1158 3.709,1159 3.808,1160 3.859,1161 3.72,1162 3.666,1163 4.478,1164 3.664,1165 3.464,1166 3.522,1167 3.684,1168 3.354,1169 4.338,1170 3.335,1171 3.312,1172 3.375,1173 3.321,1174 3.272,1175 4.199,1176 3.198,1177 3.199,1178 3.254,1179 3.168,1180 3.043,1181 4.147,1182 3.036,1183 3.035,1184 3.126,1185 3.092,1186 2.874,1187 3.854,1188 2.846,1189 0.127,1190 0.105,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.793,1197 0.029,1198 6.566,1199 0.29,1200 4.109,1201 0.086,1202 3.12,1203 4.515,1204 1.058,1205 10.433,1206 3.087,1207 1.994,1208 1.971,1209 2.089,1210 2.076,1211 1.331,1212 2.083,1213 1.899,1214 1.881,1215 1.973,1216 1.968,1217 1.23,1218 1.982,1219 1.744,1220 1.696,1221 1.919,1222 1.898,1223 1.211,1224 1.91,1225 1.665,1226 1.602,1227 1.86,1228 1.869,1229 1.084,1230 1.869,1231 1.577,1232 1.507,1233 1.851,1234 1.751,1235 1.062,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.658,1241 0.872,1242 1.657,1243 1.24,1244 1.215,1245 1.435,1246 1.425,1247 0.693,1248 1.432,1249 1.113,1250 1.045,1251 1.409,1252 1.323,1253 0.536,1254 1.364,1255 4.29,1257 5.609,1258 3.045,1259 7.111,1260 5.283,1261 8.692,1262 7.273,1263 10.316,1266 5.983,1271 10.234,1272 3.372,1276 4.763,1280 38.949,1281 90.682,1282 222.536,1283 289.369,1284 321.02,1285 323.775,1286 323.775,1287 41.756,1288 8.268,1289 34.3,1290 66.39,1291 28,1292 12.643,1293 4.248,1294 3.459,1295 46.014,1296 160,1297 164,1298 0.137,1299 243.499,1300 417.82,1301 585.897,1302 52922,1303 1.6,1304 21.916,1305 0.685,1306 0.619,1307 22.916,1308 19.813,1309 15.653,1310 0.435,1311 0.341,1312 11.46,1313 14.76,1314 11.153,1315 9.165,1316 16.23,1317 12.275,1318 14.076,1319 0.282,1320 0.192,1321 14.855,1322 9.591,1323 12.151,1324 0.184,1325 0.109,1326 12.794,1327 7.188,1328 9.884,1329 0.118,1330 0.061,1331 10.384,1332 5.103,1333 7.649,1334 0.075,1335 0.033,1336 8.077,1337 3.334,1338 0.223,1339 102.067,1340 0.201,1341 30.624,1342 0.357,1343 172,1344 385.02,1345 208.825,1346 438.699,1347 600.13,1348 412,1349 202,1350 414.77,1351 231.328,1352 443.01,1353 647.87,1354 419,1355 7.921} {0 CHEMBL351303,1 1.457,2 14.156,3 2.44,4 5.953,5 129.136,6 6.945,7 0.583,8 4.226,9 4.364,10 3.744,11 3.744,12 5.249,13 3.716,14 4.783,15 4.974,16 4.072,17 4.177,18 5.698,19 4.115,20 5.057,21 5.297,22 4.039,23 4.315,24 5.873,25 4.19,26 5.151,27 5.42,28 4.002,29 4.311,30 5.947,31 4.168,32 5.151,33 5.433,34 3.955,35 4.259,36 5.933,37 4.113,38 5.061,39 5.327,40 3.958,41 4.222,42 5.855,43 4.094,44 5.068,45 5.333,46 3.903,47 4.199,48 5.892,49 4.056,50 5.012,51 5.307,52 3.674,53 4.086,54 5.722,55 3.911,56 0.091,57 0.969,58 14.134,59 5.437,60 13.247,61 7.758,62 0.264,63 1.577,64 26.006,65 9.142,66 24.53,67 13.4,68 0.301,69 1.862,70 35.28,71 12.884,72 32.285,73 19.117,74 0.329,75 1.942,76 39.753,77 13.922,78 40.577,79 20.901,80 0.41,81 1.869,82 40.528,83 13.833,84 48.126,85 20.69,86 0.311,87 1.763,88 36.479,89 12.505,90 35.656,91 18.737,92 0.471,93 1.771,94 37.006,95 12.425,96 44.75,97 18.545,98 0.321,99 1.611,100 35.331,101 11.775,102 36.182,103 18.074,104 3,105 49,106 0.233,107 0.585,108 0.779,109 0.872,110 0.879,111 0.879,112 3.502,113 0.947,114 -4.38,115 -4.31,116 -4.07,119 40.3,121 2,122 1,125 5,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 5,178 10,182 3,185 1,186 7,189 7,193 6,195 1,197 4,199 5,203 6,206 2,208 4,211 6,215 4,220 3,222 6,225 1,226 5,229 3,231 3,233 5,237 2,242 1,244 4,248 2,249 3,253 1,254 2,256 5,259 1806,260 22.455,261 22.455,262 22.455,263 22.455,264 22.455,265 20.041,266 25.078,267 13.425,268 22.863,269 17.751,270 17.751,271 17.751,272 17.751,273 17.751,274 14.199,275 30.006,276 6.319,277 18.431,278 4.497,279 2.291,280 1.077,281 0.496,282 0.452,283 0.452,284 4.213,288 1,289 1,290 1009,291 3.464,294 262.377,295 212.389,298 142.794,302 2.219,303 17.795,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68,315 453,316 4.569,317 3.203,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 3.149,327 6.129,328 3.822,329 2.845,330 3.732,331 0.657,332 8.981,333 2.782,334 4.07,335 2.959,336 6.096,337 3.703,338 2.761,339 3.548,341 8.885,342 2.616,343 3.737,344 2.865,345 5.644,346 3.659,347 2.705,348 2.829,350 7.871,351 2.568,352 3.427,353 2.256,354 5.139,355 3.074,356 2.103,357 2.723,359 6.09,360 2.038,361 3.252,362 2.102,363 4.885,364 2.909,365 1.943,366 2.587,368 5.595,369 1.871,370 3.206,371 1.93,372 4.514,373 2.787,374 1.817,375 2.38,377 4.654,378 1.757,379 2.96,380 1.791,381 4.446,382 2.719,383 1.762,384 1.995,386 4.474,387 1.681,388 2.726,389 1.351,390 4.122,391 2.252,392 1.275,393 1.822,395 3.425,396 1.244,397 2.532,398 1.32,399 3.511,400 2.178,401 1.2,402 1.54,404 2.717,405 1.17,406 2.5,407 1.204,408 3.375,409 2,410 1,411 1.5,413 2.22,414 1,415 2.401,416 1.011,417 3.309,418 1.937,419 0.978,420 1.358,422 2.136,423 0.935,424 2.144,425 1,426 3.247,427 1.822,428 0.861,429 1.026,431 1.974,432 0.824,433 2.118,434 0.857,435 3.234,436 1.651,437 0.694,438 0.927,440 1.663,441 0.662,442 1.873,443 0.756,444 3.12,445 1.541,446 0.618,447 0.827,449 1.372,450 0.567,451 15.233,452 0.476,453 0.547,454 0.017,455 39.25,456 1.227,457 18,458 0.563,459 21.25,460 0.664,461 28.656,462 0.896,463 34.567,464 0.558,465 27.68,466 0.865,467 7.708,468 0.241,469 8.089,470 0.253,471 0.022,473 0.282,479 0.965,480 1.352,481 0.865,482 1.091,483 0.879,484 0.987,485 1.13,486 1.084,487 1.044,488 0.999,489 0.895,490 1.005,491 0.792,492 1.101,493 1.045,494 1.124,495 0.632,496 1.114,497 0.834,498 1.044,499 0.991,500 1.074,501 0.734,502 1.053,503 0.963,504 0.914,505 0.927,506 0.948,507 1.069,508 0.941,509 1.013,510 1.015,511 0.945,512 0.989,513 1.019,514 0.966,515 1.055,516 0.988,517 1.075,518 1.047,519 1.221,520 1.069,521 0.888,522 0.972,523 1.004,524 0.995,525 0.841,526 1.009,527 5,528 0.121,529 3.333,530 1.389,531 1.064,532 0.816,533 0.545,534 0.274,535 0.213,536 0.1,537 17331,538 39915,539 2.194,540 48.4,542 19,543 1,544 2,545 3,547 4,548 1,550 1.739,551 2.133,552 3.766,553 0.822,559 90.347,560 1.457,561 3.663,562 4.878,563 5.458,564 5.503,565 5.503,566 3.23,567 4.563,568 4.974,569 3.977,570 1972.47,571 8.666,572 30703.5,574 1,577 369.16,578 1.043,579 4.964,580 0.139,581 0.005,582 0.068,583 0.031,584 0.025,585 0.02,586 0.013,587 0.007,588 0.007,589 0.004,590 0.32,591 0.17,592 0.88,593 0.469,594 172.222,595 0.006,596 -0.114,597 0.063,598 -0.011,599 0.006,600 0.022,601 -0.111,602 0.079,603 -0.087,604 0.021,605 -0.083,606 -0.023,607 -0.01,608 -0.082,609 -0.093,610 -0.099,611 0.05,612 -0.105,613 -0.001,614 -0.083,615 -0.02,616 -0.077,617 0.046,618 -0.054,619 0.02,620 0.004,621 0.065,622 0.034,623 -0.001,624 0.05,625 -0.045,626 -0.062,627 0.038,628 0.005,629 -0.016,630 0.028,631 0.03,632 -0.023,633 -0.082,634 -0.072,635 -0.088,636 -0.092,637 -0.055,638 -0.057,639 -0.02,640 -0.025,641 -0.068,642 -0.019,643 1.377,644 3.777,645 0.781,646 37.18,647 0.993,648 1.132,649 3.152,650 9.934,651 0.655,652 3.611,653 3.912,654 4.205,655 4.454,656 4.575,657 4.673,658 4.82,659 4.97,660 5.017,661 5.069,662 8.405,663 0.616,664 430.61,665 3.611,666 5.142,667 5.994,668 6.86,669 7.724,670 8.595,671 9.465,672 10.339,673 11.212,674 12.088,675 9.7,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 62,716 21,717 2,718 36,720 66,721 25,722 16,723 4,724 8,730 5,731 6,736 1,740 1,741 1,743 3,745 16,746 9,747 1,764 30,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,789 1,792 3,793 2,796 1,814 1,815 1,817 1,819 4,827 32,832 1,833 7,834 1,837 2,838 1,844 1,847 1.6,848 1,854 15,855 10.583,856 7.111,857 3.75,858 3.529,859 1.432,860 0.991,861 6.534,862 11.708,863 3.861,864 4.431,865 5.029,866 5.609,867 6.029,868 6.364,869 6.813,870 7.23,871 7.422,872 7.659,873 1,874 45,875 11.829,877 5.017,878 7.516,879 23.341,881 19.763,883 2.016,884 64.5,887 1,888 317.82,889 129.431,890 73.146,892 42.683,895 129.431,896 360.503,897 73.146,899 13.492,900 145.551,901 74.105,902 33.51,903 13.915,904 282.506,906 317.82,907 202.577,908 42.683,911 258.964,912 58.856,913 42.683,915 70.549,916 98.702,917 33.326,919 317.82,920 115.829,921 129.431,924 317.82,925 27.337,926 107.118,927 34.796,928 76.009,929 317.82,930 115.829,931 129.431,933 0.571,934 0.341,935 0.187,936 0.089,937 24,938 9,939 0.136,940 9,941 1,942 1.08,943 4.59,944 286.117,945 0.08,946 25,947 152,951 21.197,952 9.863,953 4.907,954 2.429,955 97.144,956 22.214,957 7.825,958 3.407,961 3.573,962 1.934,963 77.48,964 563.08,965 46.5,975 61.541,976 70.182,977 0.245,978 0.615,979 0.819,980 0.917,981 0.924,982 0.924,983 5.083,984 1.762,985 5.948,986 4.654,987 4.595,988 5.118,989 1.038,990 6.727,991 4.524,992 6.252,993 1.275,994 7.48,995 4.474,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.911,1001 7.533,1002 1.2,1003 9.113,1004 3.425,1005 6.155,1006 7.281,1007 0.607,1008 10.643,1009 6.021,1010 8.854,1011 1,1012 10.807,1013 2.717,1014 6.479,1015 7.866,1016 0.268,1017 12.344,1018 6.317,1019 10.213,1020 0.978,1021 12.542,1022 2.22,1023 7.997,1024 9.79,1025 0.359,1026 14.906,1027 7.808,1028 11.599,1029 0.861,1030 14.305,1031 2.136,1032 8.731,1033 10.839,1034 0.188,1035 16.952,1036 8.516,1037 13.005,1038 0.694,1039 16.088,1040 1.974,1041 9.999,1042 12.509,1043 0.214,1044 19.342,1045 9.762,1046 3.119,1047 0.618,1048 17.885,1049 1.663,1050 10.925,1051 13.789,1052 0.125,1053 21.535,1054 10.666,1055 2.845,1056 10.433,1057 19.693,1058 1.372,1059 12.09,1060 15.353,1061 0.129,1062 23.868,1063 11.812,1064 2.761,1065 8.981,1066 21.51,1067 4.518,1068 13.107,1069 16.746,1070 0.082,1071 26.127,1072 12.81,1073 2.705,1074 8.885,1075 23.333,1076 3.732,1077 14.231,1078 18.267,1079 0.079,1080 28.445,1081 13.916,1082 2.103,1083 7.871,1084 25.162,1085 3.548,1086 15.293,1087 19.715,1088 0.054,1089 30.737,1090 14.961,1091 1.943,1092 6.09,1093 26.996,1094 2.829,1095 16.402,1096 21.221,1097 0.048,1098 33.054,1099 16.055,1100 1.817,1101 5.595,1102 28.834,1103 2.723,1104 17.487,1105 22.697,1106 0.035,1107 35.363,1108 17.124,1109 15885,1110 24265,1111 25.137,1112 40.625,1113 53.677,1114 53.688,1115 54.067,1116 53.306,1117 53.307,1118 68.688,1119 2.915,1120 149.236,1121 51.348,1122 5.538,1123 5.203,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1131 7.832,1132 1.491,1133 1.491,1134 1.502,1135 1.481,1136 1.481,1137 1.908,1138 0.081,1139 4.145,1140 1.426,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 6.456,1146 4.07,1147 3.953,1148 3.999,1149 3.871,1150 3.872,1151 5.135,1152 3.866,1153 3.865,1154 3.923,1155 3.793,1156 3.726,1157 4.927,1158 3.724,1159 3.818,1160 3.888,1161 3.741,1162 3.577,1163 4.753,1164 3.618,1165 3.516,1166 3.586,1167 3.386,1168 3.33,1169 4.383,1170 3.335,1171 3.409,1172 3.468,1173 3.285,1174 3.263,1175 4.253,1176 3.262,1177 3.229,1178 3.305,1179 3.093,1180 3.028,1181 4.104,1182 3.034,1183 3.085,1184 3.176,1185 2.893,1186 2.858,1187 3.838,1188 2.85,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.569,1195 0.125,1196 3.203,1197 0.022,1198 6.566,1199 0.29,1200 4.1,1201 0.085,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.053,1210 2.052,1211 1.327,1212 2.049,1213 1.924,1214 1.894,1215 2.039,1216 2.025,1217 1.268,1218 2.036,1219 1.695,1220 1.635,1221 1.911,1222 1.883,1223 1.185,1224 1.89,1225 1.671,1226 1.611,1227 1.876,1228 1.842,1229 1.115,1230 1.865,1231 1.445,1232 1.373,1233 1.674,1234 1.693,1235 0.9,1236 1.681,1237 1.406,1238 1.344,1239 1.629,1240 1.636,1241 0.829,1242 1.643,1243 1.371,1244 1.307,1245 1.516,1246 1.588,1247 0.587,1248 1.58,1249 1.078,1250 0.982,1251 1.375,1252 1.442,1253 0.543,1254 1.379,1255 4.29,1257 5.595,1258 3.434,1259 7.081,1260 5.687,1261 8.648,1262 7.678,1263 10.262,1270 9.777,1271 6.581,1272 3.567,1275 0.632,1276 2.561,1280 38.165,1281 90.347,1282 227.106,1283 302.405,1284 338.405,1285 341.16,1286 341.16,1287 44.199,1288 8.178,1289 82,1290 82,1291 27,1292 12.627,1293 4.459,1294 3.524,1295 46.046,1296 165,1297 144,1298 0.134,1299 232.027,1300 386.69,1301 557.907,1302 49303,1304 21.753,1305 0.68,1306 0.568,1307 21.753,1308 18.191,1309 15.797,1310 0.439,1311 0.316,1312 11.217,1313 15.24,1314 11.015,1315 9.091,1316 15.797,1317 11.365,1318 13.645,1319 0.278,1320 0.177,1321 13.645,1322 8.672,1323 12.051,1324 0.183,1325 0.1,1326 12.051,1327 6.573,1328 10.077,1329 0.119,1330 0.055,1331 10.077,1332 4.711,1333 7.345,1334 0.077,1335 0.032,1336 7.345,1337 3.067,1338 0.218,1339 98.586,1340 0.199,1341 30.655,1342 0.345,1343 170,1344 409.396,1345 182.263,1346 403.577,1347 564.11,1348 382,1349 200,1350 422.287,1351 214.012,1352 430.986,1353 625.84,1354 406,1355 8.8} {0 CHEMBL351311,1 1.397,2 14.903,3 2.832,4 8.022,5 126.149,6 6.927,7 0.6,8 4.193,9 4.336,10 3.721,11 3.705,12 5.188,13 3.677,14 4.758,15 4.967,16 4.033,17 4.124,18 5.642,19 4.064,20 5.005,21 5.25,22 3.983,23 4.279,24 5.767,25 4.152,26 5.105,27 5.376,28 3.883,29 4.284,30 5.807,31 4.115,32 5.114,33 5.424,34 3.821,35 4.187,36 5.769,37 4.015,38 4.937,39 5.217,40 3.824,41 4.099,42 5.659,43 3.964,44 4.907,45 5.175,46 3.797,47 4.074,48 5.68,49 3.937,50 4.903,51 5.198,52 3.606,53 3.992,54 5.614,55 3.826,56 0.076,57 0.969,58 13.625,59 5.064,60 11.908,61 7.487,62 0.28,63 1.555,64 25.651,65 8.247,66 20.453,67 12.64,68 0.285,69 1.8,70 33.464,71 12.015,72 23.83,73 18.016,74 0.24,75 1.856,76 37.535,77 13.866,78 27.923,79 20.866,80 0.37,81 1.774,82 39.287,83 13.24,84 31.508,85 20.455,86 0.286,87 1.589,88 32.189,89 10.748,90 23.789,91 16.605,92 0.288,93 1.569,94 30.984,95 10.364,96 27.174,97 15.963,98 0.355,99 1.48,100 31.628,101 10.045,102 28.895,103 15.685,105 47,106 0.225,107 0.555,108 0.728,109 0.821,110 0.832,111 0.853,112 3.471,113 0.955,114 -4.17,115 -4.12,116 -3.89,119 40,121 3,125 6,140 5,141 3,142 1,143 2,149 1,150 1,158 2,164 1,169 8,171 2,172 6,176 3,178 7,181 1,182 6,186 3,189 6,193 7,197 1,199 3,202 1,203 9,206 1,211 2,215 6,218 1,222 1,226 5,229 2,233 1,236 2,237 5,244 2,249 1,252 1,256 3,259 1707,260 21.792,261 21.792,262 21.792,263 21.792,264 21.792,265 19.353,266 23.876,267 13.201,268 22.316,269 17.335,270 17.335,271 17.335,272 17.335,273 17.335,274 13.753,275 25.202,276 6.329,277 18.166,278 4.51,279 2.457,280 1.377,281 0.8,282 0.733,283 0.6,284 4.187,288 1,289 1,290 1038,291 3,294 164.979,295 316.894,298 140.379,302 2.37,303 11.947,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 462,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.995,327 6.095,328 3.69,329 2.753,330 3.731,331 0.8,332 8.884,333 2.578,334 3.905,335 2.883,336 5.509,337 3.611,338 2.676,339 3.445,341 7.438,342 2.533,343 3.647,344 2.733,345 5.338,346 3.476,347 2.504,348 2.813,350 6.961,351 2.402,352 3.432,353 2.512,354 5.139,355 3.123,356 2.194,357 2.654,359 6.312,360 2.05,361 3.254,362 2.181,363 5.092,364 2.99,365 2.02,366 2.589,368 5.992,369 1.94,370 3.2,371 1.795,372 4.514,373 2.73,374 1.776,375 2.235,377 4.655,378 1.69,379 2.902,380 1.589,381 4.134,382 2.461,383 1.499,384 2.047,386 3.483,387 1.441,388 2.742,389 1.37,390 3.642,391 2.313,392 1.329,393 1.847,395 3.152,396 1.306,397 2.5,398 1.169,399 3.474,400 2.096,401 1.131,402 1.5,404 2.55,405 1.089,406 2.428,407 1.146,408 3.414,409 1.967,410 1,411 1.403,413 2.275,414 0.965,415 2.263,416 1,417 3.32,418 1.956,419 1,420 1.207,422 2.136,423 0.954,424 2.118,425 0.944,426 3.247,427 1.866,428 0.901,429 1,431 2.106,432 0.867,433 2.004,434 0.785,435 3.19,436 1.665,437 0.696,438 0.927,440 1.628,441 0.672,442 2,443 0.637,444 3.086,445 1.531,446 0.618,447 0.857,449 1.372,450 0.556,451 14.8,452 0.477,453 0.496,454 0.016,455 39.25,456 1.266,457 18,458 0.581,459 21.25,460 0.685,461 26.593,462 0.858,463 33.2,464 0.553,465 25.997,466 0.839,467 7.676,468 0.248,469 7.673,470 0.248,473 0.25,479 0.892,480 1.505,481 0.839,482 1.179,483 0.607,484 1.032,485 1.351,486 1.049,487 1.041,488 0.934,489 0.867,490 0.948,491 0.978,492 1.002,493 1.089,494 1.082,495 0.761,496 1.096,497 0.712,498 1.103,499 1.03,500 1.183,501 0.739,502 1.15,503 0.744,504 0.844,505 0.846,506 0.881,507 0.71,508 0.876,509 0.92,510 0.974,511 0.924,512 0.953,513 0.76,514 0.941,515 0.934,516 1.093,517 1.031,518 1.099,519 0.984,520 1.08,521 1.096,522 0.88,523 1.083,524 0.969,525 1.221,526 1.016,527 4.5,528 0.078,529 2.889,530 0.819,531 0.997,532 0.764,533 0.364,534 0.242,535 0.183,536 0.148,537 16999,538 38193,539 2.221,540 48.3,541 2,542 17,543 1,544 4,545 1,547 4,550 1.728,551 2.188,552 3.834,553 -0.361,555 1,559 83.841,560 1.397,561 3.45,562 4.53,563 5.107,564 5.174,565 5.307,566 3.284,567 4.374,568 4.925,569 4.043,570 1879.99,571 8.555,572 29182.7,574 1,577 354.413,578 0.824,579 4.929,580 0.129,581 0.003,582 0.061,583 0.019,584 0.027,585 0.022,586 0.01,587 0.007,588 0.007,589 0.006,590 0.291,591 0.33,592 0.88,594 166.591,595 0.115,596 -0.262,597 0.093,598 -0.106,599 0.28,600 -0.025,601 -0.134,602 0.109,603 -0.063,604 0.055,605 0.015,606 0.013,607 -0.107,608 0.02,609 -0.13,610 -0.058,611 -0.023,612 -0.091,613 -0.002,614 -0.17,615 -0.074,616 -0.152,617 0.027,618 -0.127,619 0.105,620 0.032,621 0.145,622 0.098,623 0.122,624 0.121,625 0.009,626 -0.024,627 0.06,628 0.033,629 0.058,630 0.049,631 0.029,632 -0.116,633 -0.051,634 -0.114,635 -0.032,636 -0.095,637 -0.065,638 0.058,639 -0.085,640 -0.015,641 -0.195,642 -0.046,643 0.569,644 1.216,645 0.839,646 38.656,647 0.991,648 1.134,649 2.944,650 8.668,651 0.657,652 3.584,653 3.871,654 4.143,655 4.382,656 4.554,657 4.615,658 4.745,659 4.875,660 4.942,661 4.984,662 8.712,663 0.616,664 415.6,665 3.584,666 5.106,667 5.948,668 6.804,669 7.659,670 8.52,671 9.382,672 10.248,673 11.114,674 11.984,675 11.7,678 2,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 60,716 21,717 1,718 35,720 64,721 24,722 15,723 3,724 3,730 5,731 6,743 3,745 15,746 9,761 1,764 29,765 5,766 1,767 7,773 7,777 0.8,786 1,788 1,792 2,793 3,796 1,815 2,819 4,827 31,833 9,838 2,844 1,854 14.167,855 10.533,856 6.833,857 3.777,858 3.559,859 1.438,860 1.02,861 6.283,862 11.68,863 3.839,864 4.407,865 4.996,866 5.574,867 6.007,868 6.328,869 6.773,870 7.197,871 7.394,872 7.61,873 0.9,874 43,875 11.441,877 4.783,878 7.414,879 22.778,881 19.048,883 1.914,884 59.333,887 1,888 329.591,889 125.844,890 75.045,895 125.844,896 329.591,897 75.045,899 20.238,900 56.429,901 114.433,902 54.729,903 13.915,904 270.735,906 329.591,907 200.888,911 282.506,912 47.084,915 80.503,916 70.274,917 50.112,919 329.591,920 75.045,921 125.844,924 329.591,925 34.083,926 99.908,927 16.786,928 50.112,929 329.591,930 75.045,931 125.844,933 0.57,934 0.331,935 0.178,936 0.091,937 23,938 8,939 0.125,940 8,941 1,942 1.077,943 4.615,944 268.895,945 0.077,946 26,947 145.58,951 20.228,952 9.63,953 4.974,954 2.487,955 56.36,956 20.125,957 12.048,958 3.417,961 3.817,962 1.948,963 16.786,964 530.479,965 45.5,975 59.432,976 68.055,977 0.237,978 0.584,979 0.767,980 0.865,981 0.876,982 0.898,983 5.051,984 1.499,985 5.889,986 4.655,987 4.554,988 5.094,989 1.072,990 6.64,991 4.467,992 6.214,993 1.329,994 7.401,995 3.483,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.759,1001 7.488,1002 1.131,1003 9.012,1004 3.152,1005 6.084,1006 7.256,1007 0.653,1008 10.491,1009 5.917,1010 8.802,1011 1,1012 10.686,1013 2.55,1014 6.33,1015 7.822,1016 0.479,1017 12.154,1018 6.125,1019 10.154,1020 1,1021 12.403,1022 2.275,1023 7.889,1024 9.764,1025 0.432,1026 14.719,1027 7.656,1028 11.534,1029 0.901,1030 14.15,1031 2.136,1032 8.564,1033 10.806,1034 0.346,1035 16.756,1036 8.305,1037 12.936,1038 0.696,1039 15.918,1040 2.106,1041 9.857,1042 12.486,1043 0.291,1044 19.154,1045 9.573,1046 3.118,1047 0.618,1048 17.704,1049 1.628,1050 10.747,1051 13.765,1052 0.237,1053 21.355,1054 10.446,1055 2.753,1056 10.431,1057 19.503,1058 1.372,1059 11.925,1060 15.333,1061 0.195,1062 23.701,1063 11.604,1064 2.676,1065 8.884,1066 21.313,1067 4.518,1068 12.924,1069 16.728,1070 0.158,1071 25.974,1072 12.591,1073 2.504,1074 7.438,1075 23.132,1076 3.731,1077 14.057,1078 18.252,1079 0.129,1080 28.306,1081 13.707,1082 2.194,1083 6.961,1084 24.959,1085 3.445,1086 15.112,1087 19.702,1088 0.104,1089 30.612,1090 14.753,1091 2.02,1092 6.312,1093 26.792,1094 2.813,1095 16.229,1096 21.211,1097 0.084,1098 32.943,1099 15.856,1100 1.776,1101 5.992,1102 28.631,1103 2.654,1104 17.314,1105 22.688,1106 0.068,1107 35.265,1108 16.932,1109 15427,1110 23309,1111 24.731,1112 39.415,1113 52.124,1114 51.386,1115 51.576,1116 51.608,1117 51.594,1118 66.962,1119 3.2,1120 141.547,1121 49.33,1122 5.568,1123 5.197,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1132 1.489,1133 1.468,1134 1.474,1135 1.475,1136 1.474,1137 1.913,1138 0.091,1139 4.044,1140 1.409,1141 4.154,1142 4.192,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.925,1148 3.983,1149 3.841,1150 3.805,1151 4.929,1152 3.807,1153 3.836,1154 3.908,1155 3.789,1156 3.644,1157 4.893,1158 3.655,1159 3.804,1160 3.87,1161 3.707,1162 3.576,1163 4.385,1164 3.613,1165 3.537,1166 3.61,1167 3.394,1168 3.376,1169 4.256,1170 3.374,1171 3.342,1172 3.414,1173 3.22,1174 3.182,1175 4.027,1176 3.18,1177 3.239,1178 3.315,1179 3.086,1180 3.072,1181 3.879,1182 3.066,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.785,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.197,1197 0.023,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.058,1210 2.062,1211 1.373,1212 2.065,1213 1.881,1214 1.837,1215 2.029,1216 2.042,1217 1.268,1218 2.041,1219 1.787,1220 1.722,1221 1.963,1222 1.961,1223 1.157,1224 1.966,1225 1.646,1226 1.587,1227 1.852,1228 1.824,1229 1.081,1230 1.838,1231 1.415,1232 1.342,1233 1.631,1234 1.671,1235 0.825,1236 1.653,1237 1.367,1238 1.3,1239 1.558,1240 1.58,1241 0.79,1242 1.585,1243 1.25,1244 1.177,1245 1.513,1246 1.452,1247 0.7,1248 1.476,1249 1.153,1250 1.064,1251 1.472,1252 1.442,1253 0.579,1254 1.429,1255 4.263,1257 5.557,1258 3.045,1259 7.038,1260 5.283,1261 8.602,1262 7.286,1263 10.211,1271 10.304,1276 5.188,1280 36.945,1281 83.841,1282 207.016,1283 271.784,1284 306.413,1285 310.413,1286 318.413,1287 35.478,1288 8.121,1289 65.87,1290 65.87,1291 28,1292 12.528,1293 4.459,1294 3.524,1295 44.101,1296 165,1297 157,1298 0.127,1299 225.233,1300 371.6,1301 541.329,1302 47482,1304 20.882,1305 0.674,1306 0.575,1307 20.882,1308 17.821,1309 15.348,1310 0.439,1311 0.318,1312 10.983,1313 14.755,1314 10.782,1315 8.892,1316 15.348,1317 11.137,1318 13.278,1319 0.283,1320 0.177,1321 13.278,1322 8.311,1323 11.53,1324 0.186,1325 0.101,1326 11.53,1327 6.293,1328 9.52,1329 0.121,1330 0.056,1331 9.52,1332 4.431,1333 7.34,1334 0.078,1335 0.033,1336 7.34,1337 3.084,1338 0.21,1339 95.845,1340 0.201,1341 30.191,1342 0.321,1343 164,1344 396.204,1345 176.572,1346 392.205,1347 552.11,1348 372,1349 191,1350 419.589,1351 205.516,1352 427.382,1353 617.14,1354 402,1355 8.209} {0 CHEMBL351346,1 1.36,2 14.161,3 4.039,4 16.315,5 127.969,6 6.797,7 0.6,8 4.202,9 4.344,10 3.715,11 3.733,12 5.183,13 3.696,14 4.769,15 4.974,16 4.047,17 4.155,18 5.641,19 4.09,20 5.03,21 5.272,22 4.035,23 4.326,24 5.791,25 4.203,26 5.145,27 5.402,28 3.971,29 4.374,30 5.87,31 4.209,32 5.218,33 5.521,34 3.886,35 4.313,36 5.877,37 4.126,38 5.075,39 5.375,40 3.814,41 4.182,42 5.751,43 4.016,44 4.925,45 5.205,46 3.742,47 4.071,48 5.654,49 3.915,50 4.86,51 5.153,52 3.557,53 3.967,54 5.551,55 3.795,56 0.087,57 0.96,58 14.061,59 5.359,60 12.586,61 7.849,62 0.267,63 1.569,64 26.136,65 8.799,66 20.711,67 13.31,68 0.289,69 1.865,70 34.379,71 12.556,72 24.916,73 18.706,74 0.23,75 1.993,76 38.636,77 14.927,78 29.078,79 22.102,80 0.328,81 2.004,82 42.88,83 15.447,84 34.222,85 23.405,86 0.324,87 1.769,88 37.269,89 12.799,90 29.431,91 19.615,92 0.28,93 1.575,94 31.692,95 11.07,96 26.762,97 16.834,98 0.289,99 1.438,100 30.011,101 10.04,102 25.443,103 15.454,104 2,105 48,106 0.218,107 0.539,108 0.723,109 0.805,110 0.833,111 0.833,112 3.471,113 0.964,114 -5.14,115 -5.04,116 -4.71,119 41,120 1,121 2,125 5,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 3,178 12,181 1,182 5,186 3,189 10,193 8,197 1,199 5,203 10,206 1,211 3,215 7,218 1,222 1,226 6,229 2,233 2,236 1,237 5,244 4,249 1,252 1,256 6,259 1617,260 21.637,261 21.637,262 21.637,263 21.637,264 21.637,265 19.223,266 25.161,267 12.936,268 22.096,269 17.297,270 17.297,271 17.297,272 17.297,273 17.297,274 13.742,275 30.911,276 6.151,277 18.035,278 4.571,279 2.569,280 1.422,281 0.91,282 0.734,283 0.734,284 4.184,288 1,289 1,290 985,291 3.162,294 164.101,295 311.995,298 139.521,302 2.166,303 11.631,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 439,316 4.568,317 3.316,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.133,326 3.196,327 6.391,328 3.932,329 2.974,330 3.731,331 0.8,332 9.667,333 2.856,334 4.129,335 2.887,336 6.095,337 3.689,338 2.753,339 3.564,340 0.172,341 8.884,342 2.578,343 3.617,344 2.818,345 5.413,346 3.454,347 2.516,348 2.813,350 7.098,351 2.357,352 3.433,353 2.344,354 5.147,355 3.089,356 2.131,357 2.708,359 6.136,360 2.042,361 3.294,362 2.179,363 5.113,364 2.992,365 2.019,366 2.592,368 5.985,369 1.952,370 3.244,371 1.795,372 4.514,373 2.731,374 1.776,375 2.377,377 4.655,378 1.691,379 2.839,380 1.627,381 4.134,382 2.495,383 1.51,384 1.934,386 3.492,387 1.485,388 2.74,389 1.365,390 3.903,391 2.304,392 1.321,393 1.844,395 3.318,396 1.298,397 2.5,398 1.163,399 3.479,400 2.092,401 1.126,402 1.5,404 2.546,405 1.086,406 2.429,407 1.146,408 3.414,409 2,410 1,411 1.404,413 2.275,414 1,415 2.27,416 1,417 3.344,418 1.967,419 1,420 1.214,422 2.136,423 0.965,424 2.118,425 0.948,426 3.288,427 1.87,428 0.904,429 1,431 2.115,432 0.871,433 2.035,434 0.838,435 3.247,436 1.733,437 0.759,438 0.927,440 1.834,441 0.737,442 2,443 0.645,444 3.162,445 1.538,446 0.618,447 0.913,449 1.407,450 0.556,451 14.9,452 0.481,453 0.568,454 0.018,455 38.75,456 1.25,457 18,458 0.581,459 20.75,460 0.669,461 27.797,462 0.897,463 33.1,464 0.543,465 26.234,466 0.846,467 7.542,468 0.243,469 7.734,470 0.249,471 0.034,473 0.282,479 0.901,480 1.434,481 0.862,482 1.146,483 0.714,484 1.025,485 1.332,486 1.059,487 1.016,488 0.94,489 0.833,490 0.944,491 1.055,492 0.974,493 1.073,494 1.027,495 0.754,496 1.048,497 0.742,498 1.146,499 1.079,500 1.218,501 0.779,502 1.189,503 0.717,504 0.944,505 0.898,506 0.978,507 0.779,508 0.96,509 0.911,510 0.899,511 0.908,512 0.902,513 0.782,514 0.904,515 0.862,516 1.054,517 0.985,518 1.059,519 0.845,520 1.039,521 1.107,522 0.923,523 1.061,524 0.975,525 1.199,526 1.007,527 4.5,528 0.124,529 3.556,530 1.569,531 1.077,532 0.778,533 0.524,534 0.273,535 0.139,536 0.144,537 16243,538 34577,539 2.2,540 49.2,541 2,542 19,543 1,544 2,545 1,547 5,550 1.729,551 2.138,552 3.775,553 -0.393,555 1,559 82.962,560 1.36,561 3.362,562 4.509,563 5.021,564 5.197,565 5.197,566 3.244,567 4.309,568 4.928,569 3.966,570 1844.4,571 8.564,572 28030.4,574 1,577 361.775,578 1.058,579 4.918,580 0.129,581 0.005,582 0.074,583 0.034,584 0.026,585 0.021,586 0.015,587 0.009,588 0.005,589 0.006,590 0.324,591 0.33,592 0.88,593 0.32,594 165.371,595 0.144,596 -0.206,597 0.092,598 -0.079,599 0.212,600 -0.013,601 -0.071,602 0.096,603 -0.026,604 0.051,605 0.046,606 0.023,607 -0.113,608 0.062,609 -0.104,610 -0.015,611 0.004,612 -0.051,613 -0.026,614 -0.182,615 -0.126,616 -0.186,617 -0.006,618 -0.17,619 0.083,620 -0.053,621 0.08,622 0.01,623 0.07,624 0.038,625 0.027,626 0.02,627 0.082,628 0.067,629 0.07,630 0.078,631 0.09,632 -0.099,633 -0.001,634 -0.08,635 0.052,636 -0.055,637 -0.075,638 0.023,639 -0.067,640 -0.018,641 -0.183,642 -0.037,643 0.838,644 0.922,645 0.839,646 35.284,647 0.987,648 1.131,649 3.911,650 15.296,651 0.659,652 3.584,653 3.892,654 4.19,655 4.431,656 4.595,657 4.673,658 4.812,659 4.905,660 4.942,661 4.997,662 8.321,663 0.614,664 414.61,665 3.584,666 5.118,667 5.974,668 6.841,669 7.708,670 8.581,671 9.453,672 10.328,673 11.204,674 12.081,675 9.8,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 61,716 21,717 2,718 35,720 65,721 25,722 16,723 4,724 8,730 5,731 6,736 1,743 3,745 16,746 9,761 1,764 30,765 4,766 1,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,827 31,833 7,837 1,838 2,844 1,854 14.5,855 11,856 6.806,857 3.875,858 3.559,859 1.438,860 1.015,861 6.054,862 11.68,863 3.839,864 4.419,865 5.022,866 5.602,867 6.034,868 6.361,869 6.808,870 7.213,871 7.399,872 7.617,873 1,874 46,875 11.45,877 4.807,878 7.392,879 22.848,881 19.25,883 1.892,884 58.667,887 1,888 341.362,889 140.362,890 58.259,895 140.362,896 341.362,897 58.259,898 8.825,899 15.598,900 84.857,901 74.105,902 36.634,903 13.915,904 306.049,906 341.362,907 198.622,911 282.506,912 58.856,915 66.593,916 98.702,917 33.326,919 341.362,920 58.259,921 140.362,924 341.362,925 29.443,926 119.068,927 16.786,928 33.326,929 341.362,930 58.259,931 140.362,933 0.576,934 0.343,935 0.185,936 0.092,937 24,938 9,939 0.108,940 7,941 1,942 1.077,943 4.507,944 275.026,945 0.077,946 26,947 141.58,951 20.289,952 9.25,953 4.531,954 2.489,955 39.575,956 22.983,957 7.839,958 3.422,961 3.907,962 1.951,963 16.786,964 539.984,965 45.5,975 60.214,976 68.972,977 0.229,978 0.567,979 0.76,980 0.847,981 0.876,982 0.876,983 5.064,984 1.51,985 5.932,986 4.655,987 4.575,988 5.106,989 1.242,990 6.72,991 4.496,992 6.238,993 1.321,994 7.473,995 3.492,996 4.007,997 4.732,998 0.57,999 7.57,1000 3.878,1001 7.523,1002 1.126,1003 9.116,1004 3.318,1005 6.142,1006 7.277,1007 0.883,1008 10.674,1009 5.986,1010 8.847,1011 1,1012 10.823,1013 2.546,1014 6.479,1015 7.866,1016 0.581,1017 12.392,1018 6.276,1019 10.209,1020 1,1021 12.571,1022 2.275,1023 8.001,1024 9.791,1025 0.68,1026 14.978,1027 7.776,1028 11.598,1029 0.904,1030 14.347,1031 2.136,1032 8.746,1033 10.841,1034 0.515,1035 17.036,1036 8.486,1037 13.008,1038 0.759,1039 16.143,1040 2.115,1041 10.022,1042 12.512,1043 0.541,1044 19.448,1045 9.741,1046 3.118,1047 0.618,1048 17.953,1049 1.834,1050 10.96,1051 13.792,1052 0.441,1053 21.65,1054 10.651,1055 2.974,1056 10.431,1057 19.774,1058 1.407,1059 12.134,1060 15.355,1061 0.438,1062 23.999,1063 11.804,1064 2.753,1065 9.667,1066 21.603,1067 4.518,1068 13.162,1069 16.748,1070 0.373,1071 26.264,1072 12.811,1073 2.516,1074 8.884,1075 23.438,1076 3.731,1077 14.295,1078 18.269,1079 0.358,1080 28.591,1081 13.924,1082 2.131,1083 7.098,1084 25.279,1085 3.564,1086 15.367,1087 19.717,1088 0.314,1089 30.885,1090 14.977,1091 2.019,1092 6.136,1093 27.124,1094 2.813,1095 16.485,1096 21.223,1097 0.296,1098 33.207,1099 16.077,1100 1.776,1101 5.985,1102 28.972,1103 2.708,1104 17.579,1105 22.699,1106 0.264,1107 35.516,1108 17.153,1109 14786,1110 21783,1111 24.444,1112 40.171,1113 52.82,1114 51.972,1115 52.649,1116 52.193,1117 52.203,1118 67.582,1119 3.778,1120 146.701,1121 50.175,1122 5.568,1123 5.316,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.174,1130 5.062,1131 7.426,1132 1.509,1133 1.485,1134 1.504,1135 1.491,1136 1.492,1137 1.931,1138 0.108,1139 4.191,1140 1.434,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.07,1147 3.961,1148 4.01,1149 3.881,1150 3.877,1151 4.927,1152 3.872,1153 3.833,1154 3.907,1155 3.789,1156 3.639,1157 4.759,1158 3.65,1159 3.791,1160 3.853,1161 3.684,1162 3.575,1163 4.375,1164 3.609,1165 3.532,1166 3.603,1167 3.39,1168 3.377,1169 4.256,1170 3.375,1171 3.353,1172 3.426,1173 3.223,1174 3.201,1175 4.05,1176 3.194,1177 3.244,1178 3.321,1179 3.087,1180 3.075,1181 3.874,1182 3.069,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.689,1188 2.91,1189 0.131,1190 0.095,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.316,1197 0.026,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.08,1210 2.073,1211 1.375,1212 2.078,1213 1.936,1214 1.902,1215 2.043,1216 2.048,1217 1.27,1218 2.047,1219 1.782,1220 1.717,1221 1.973,1222 1.952,1223 1.156,1224 1.966,1225 1.642,1226 1.584,1227 1.851,1228 1.817,1229 1.079,1230 1.832,1231 1.421,1232 1.348,1233 1.682,1234 1.669,1235 0.825,1236 1.657,1237 1.38,1238 1.312,1239 1.569,1240 1.591,1241 0.822,1242 1.607,1243 1.261,1244 1.187,1245 1.513,1246 1.469,1247 0.708,1248 1.491,1249 1.153,1250 1.064,1251 1.476,1252 1.442,1253 0.579,1254 1.429,1255 4.263,1257 5.572,1258 3.045,1259 7.074,1260 5.283,1261 8.66,1262 7.286,1263 10.29,1265 2.329,1271 8.026,1275 0.495,1276 5.226,1280 37.45,1281 82.962,1282 205.053,1283 275.046,1284 306.265,1285 317.02,1286 317.02,1287 36.124,1288 8.121,1289 52.98,1290 52.98,1291 28,1292 12.619,1293 4.459,1294 3.524,1295 44.05,1296 159,1297 140,1298 0.133,1299 228.031,1300 377.9,1301 548.156,1302 45865,1304 21.045,1305 0.679,1306 0.584,1307 21.045,1308 18.114,1309 15.276,1310 0.436,1311 0.321,1312 11.107,1313 14.76,1314 10.851,1315 8.973,1316 15.276,1317 11.241,1318 13.348,1319 0.278,1320 0.177,1321 13.348,1322 8.481,1323 11.885,1324 0.183,1325 0.102,1326 11.885,1327 6.625,1328 9.812,1329 0.118,1330 0.056,1331 9.812,1332 4.678,1333 7.424,1334 0.076,1335 0.032,1336 7.424,1337 3.153,1338 0.218,1339 94.872,1340 0.202,1341 29.926,1342 0.341,1343 166,1344 378.558,1345 177.518,1346 377.151,1347 536.45,1348 358,1349 196,1350 413.828,1351 209.35,1352 421.797,1353 612.88,1354 398,1355 9} {0 CHEMBL352123,1 1.348,2 15.656,3 4.439,4 19.706,5 132.906,6 6.697,7 0.583,8 4.244,9 4.388,10 3.743,11 3.774,12 5.206,13 3.733,14 4.816,15 5.024,16 4.053,17 4.194,18 5.668,19 4.119,20 5.08,21 5.331,22 4.005,23 4.346,24 5.808,25 4.206,26 5.167,27 5.442,28 3.907,29 4.349,30 5.843,31 4.17,32 5.174,33 5.481,34 3.833,35 4.255,36 5.804,37 4.068,38 5.041,39 5.34,40 3.829,41 4.154,42 5.705,43 4,44 4.944,45 5.214,46 3.834,47 4.132,48 5.684,49 3.99,50 4.966,51 5.246,52 3.696,53 4.115,54 5.667,55 3.943,56 0.094,57 0.999,58 14.958,59 5.694,60 12.467,61 8.383,62 0.278,63 1.628,64 27.689,65 9.403,66 20.896,67 14.267,68 0.293,69 1.914,70 36.368,71 13.447,72 25.055,73 20.067,74 0.247,75 1.974,76 39.858,77 15.2,78 28.204,79 22.674,80 0.316,81 1.904,82 40.942,83 14.617,84 30.143,85 22.268,86 0.319,87 1.721,88 35.908,89 12.075,90 25.956,91 18.678,92 0.291,93 1.638,94 32.14,95 11.177,96 25.784,97 17.029,98 0.287,99 1.624,100 32.981,101 11.508,102 26.323,103 17.543,105 48,106 0.214,107 0.516,108 0.676,109 0.758,110 0.779,111 0.794,112 3.501,113 0.982,114 -5.35,115 -5.23,116 -4.89,119 40.6,121 4,125 6,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 13,171 2,172 4,176 3,178 14,181 1,182 4,186 3,189 12,193 7,197 1,199 6,203 10,206 1,211 3,215 8,218 1,222 1,226 6,229 2,233 1,236 1,237 6,244 2,249 3,252 1,256 3,259 1900,260 22.499,261 22.499,262 22.499,263 22.499,264 22.499,265 20.06,266 25.707,267 13.687,268 22.958,269 17.835,270 17.835,271 17.835,272 17.835,273 17.835,274 14.253,275 27.812,276 6.557,277 18.574,278 4.652,279 2.75,280 1.746,281 1.231,282 1.094,283 1,284 4.217,289 1,290 1122,291 3.162,294 173.307,295 334.351,298 147.897,302 2.574,303 11.063,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67,315 501,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.984,327 6.095,328 3.69,329 2.753,330 3.731,331 0.8,332 8.884,333 2.578,334 3.898,335 2.882,336 5.494,337 3.59,338 2.662,339 3.444,341 7.395,342 2.531,343 3.657,344 2.722,345 5.339,346 3.509,347 2.517,348 2.813,350 6.965,351 2.436,352 3.432,353 2.56,354 5.148,355 3.148,356 2.223,357 2.657,359 6.38,360 2.067,361 3.255,362 2.181,363 5.107,364 2.996,365 2.023,366 2.59,368 5.994,369 1.953,370 3.209,371 1.795,372 4.514,373 2.73,374 1.776,375 2.23,377 4.655,378 1.69,379 2.93,380 1.63,381 4.134,382 2.549,383 1.552,384 2.089,386 3.483,387 1.546,388 2.742,389 1.374,390 3.682,391 2.32,392 1.334,393 1.847,395 3.239,396 1.314,397 2.5,398 1.201,399 3.485,400 2.134,401 1.16,402 1.5,404 2.598,405 1.128,406 2.431,407 1.146,408 3.414,409 2.017,410 1.041,411 1.408,413 2.299,414 1.014,415 2.287,416 1.093,417 3.34,418 2,419 1,420 1.245,422 2.275,423 1,424 2.17,425 1,426 3.289,427 1.967,428 1,429 1.123,431 2.136,432 0.965,433 2.118,434 0.925,435 3.247,436 1.855,437 0.889,438 1,440 2.081,441 0.857,442 2,443 0.665,444 3.166,445 1.558,446 0.618,447 0.927,449 1.454,450 0.573,451 15.4,452 0.481,453 0.496,454 0.015,455 39.25,456 1.227,457 18,458 0.563,459 21.25,460 0.664,461 28.719,462 0.897,463 34.4,464 0.538,465 25.933,466 0.81,467 7.595,468 0.237,469 8.254,470 0.258,473 0.24,479 0.902,480 1.437,481 0.88,482 1.159,483 0.649,484 1.041,485 1.348,486 1.064,487 1.064,488 0.978,489 0.854,490 0.99,491 0.992,492 0.982,493 1.079,494 1.056,495 0.775,496 1.073,497 0.722,498 1.09,499 1.032,500 1.155,501 0.737,502 1.129,503 0.728,504 0.948,505 0.876,506 0.958,507 0.725,508 0.936,509 0.98,510 0.899,511 0.876,512 0.857,513 0.717,514 0.856,515 0.959,516 1.043,517 0.997,518 1.032,519 0.874,520 1.02,521 1.048,522 1.023,523 1.112,524 1.086,525 1.214,526 1.102,527 4.5,528 0.099,529 2.889,530 0.944,531 0.837,532 0.764,533 0.485,534 0.162,535 0.183,536 0.181,537 18892,538 39442,539 2.213,540 50,541 4,542 20,543 1,544 2,545 1,547 4,550 1.736,551 2.182,552 3.896,553 -0.403,559 86.279,560 1.348,561 3.25,562 4.254,563 4.769,564 4.906,565 5,566 3.382,567 4.375,568 4.97,569 4.118,570 2042.57,571 8.643,572 32964.4,574 1,577 384,578 0.811,579 4.975,580 0.125,581 0.004,582 0.06,583 0.021,584 0.022,585 0.022,586 0.013,587 0.005,588 0.006,589 0.007,590 0.286,591 0.33,592 0.88,594 174.505,595 0.15,596 -0.2,597 0.091,598 -0.076,599 0.279,600 -0.012,601 -0.087,602 0.094,603 -0.065,604 0.022,605 0.037,606 -0.012,607 -0.091,608 0.036,609 -0.108,610 -0.04,611 -0.015,612 -0.07,613 -0.004,614 -0.149,615 -0.074,616 -0.133,617 0.03,618 -0.114,619 0.098,620 -0.055,621 0.1,622 0.021,623 0.114,624 0.054,625 0.033,626 0.038,627 0.117,628 0.102,629 0.127,630 0.115,631 0.055,632 -0.05,633 -0.01,634 -0.05,635 0.036,636 -0.039,637 -0.073,638 -0.053,639 -0.13,640 -0.108,641 -0.213,642 -0.121,643 0.563,644 0.925,645 0.813,646 42.32,647 0.986,648 1.131,649 4.115,650 16.936,651 0.655,652 3.611,653 3.892,654 4.159,655 4.394,656 4.554,657 4.615,658 4.745,659 4.86,660 4.927,661 4.997,662 9.157,663 0.609,664 428.64,665 3.611,666 5.13,667 5.969,668 6.821,669 7.673,670 8.532,671 9.39,672 10.254,673 11.118,674 11.986,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,743 4,745 16,746 10,764 32,765 4,766 1,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,827 32,833 10,838 2,844 1,854 14.667,855 11.167,856 7.083,857 4.116,858 3.531,859 1.432,860 1.017,861 6.854,862 11.699,863 3.861,864 4.419,865 5.002,866 5.577,867 6.004,868 6.324,869 6.767,870 7.187,871 7.382,872 7.607,873 1,874 44,875 11.833,877 4.934,878 7.37,879 23.725,881 19.898,883 1.87,884 59.833,888 364.904,889 138.712,890 58.259,895 138.712,896 364.904,897 58.259,899 22.772,900 84.857,901 74.105,902 36.634,903 13.915,904 329.591,906 364.904,907 196.971,911 317.82,912 47.084,915 64.943,916 98.702,917 33.326,919 364.904,920 58.259,921 138.712,924 364.904,925 36.617,926 110.242,927 16.786,928 33.326,929 364.904,930 58.259,931 138.712,933 0.568,934 0.329,935 0.177,936 0.089,937 23,938 8,939 0.132,940 9,941 1,942 1.077,943 4.734,944 277.44,945 0.077,946 26,947 148,951 21.234,952 10.329,953 5.423,954 2.5,955 39.575,956 22.992,957 7.844,958 3.425,961 3.957,962 1.954,963 16.786,964 561.875,965 46.5,975 63.098,976 72.387,977 0.225,978 0.542,979 0.709,980 0.795,981 0.818,982 0.833,983 5.07,984 1.552,985 5.905,986 4.655,987 4.575,988 5.106,989 1.072,990 6.65,991 4.498,992 6.228,993 1.334,994 7.413,995 3.483,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.759,1001 7.499,1002 1.16,1003 9.021,1004 3.239,1005 6.098,1006 7.26,1007 0.653,1008 10.493,1009 5.946,1010 8.81,1011 1.041,1012 10.692,1013 2.598,1014 6.33,1015 7.822,1016 0.479,1017 12.154,1018 6.128,1019 10.16,1020 1,1021 12.407,1022 2.299,1023 7.897,1024 9.765,1025 0.432,1026 14.718,1027 7.68,1028 11.538,1029 1,1030 14.152,1031 2.275,1032 8.564,1033 10.806,1034 0.346,1035 16.756,1036 8.31,1037 12.939,1038 0.889,1039 15.92,1040 2.136,1041 9.86,1042 12.486,1043 0.291,1044 19.153,1045 9.591,1046 3.118,1047 0.618,1048 17.705,1049 2.081,1050 10.746,1051 13.764,1052 0.237,1053 21.354,1054 10.452,1055 2.753,1056 10.431,1057 19.503,1058 1.454,1059 11.925,1060 15.333,1061 0.195,1062 23.7,1063 11.617,1064 2.662,1065 8.884,1066 21.313,1067 4.518,1068 12.923,1069 16.728,1070 0.158,1071 25.973,1072 12.597,1073 2.517,1074 7.395,1075 23.132,1076 3.731,1077 14.055,1078 18.252,1079 0.129,1080 28.305,1081 13.717,1082 2.223,1083 6.965,1084 24.958,1085 3.444,1086 15.11,1087 19.702,1088 0.104,1089 30.612,1090 14.758,1091 2.023,1092 6.38,1093 26.791,1094 2.813,1095 16.227,1096 21.21,1097 0.084,1098 32.942,1099 15.863,1100 1.776,1101 5.994,1102 28.63,1103 2.657,1104 17.311,1105 22.688,1106 0.068,1107 35.265,1108 16.936,1109 17180,1110 25057,1111 25.424,1112 41.932,1113 53.259,1114 52.644,1115 52.854,1116 52.872,1117 52.869,1118 68.237,1119 3.2,1120 144.082,1121 50.869,1122 5.568,1123 5.197,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1132 1.479,1133 1.462,1134 1.468,1135 1.469,1136 1.469,1137 1.895,1138 0.089,1139 4.002,1140 1.413,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.07,1147 3.939,1148 3.987,1149 3.852,1150 3.868,1151 4.927,1152 3.86,1153 3.848,1154 3.915,1155 3.79,1156 3.663,1157 4.752,1158 3.672,1159 3.82,1160 3.891,1161 3.728,1162 3.582,1163 4.388,1164 3.619,1165 3.567,1166 3.64,1167 3.419,1168 3.409,1169 4.257,1170 3.405,1171 3.429,1172 3.499,1173 3.279,1174 3.293,1175 4.044,1176 3.28,1177 3.266,1178 3.337,1179 3.14,1180 3.099,1181 3.892,1182 3.101,1183 3.111,1184 3.206,1185 2.893,1186 2.941,1187 3.729,1188 2.91,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.568,1195 0.125,1196 3.197,1197 0.022,1198 6.566,1199 0.29,1200 4.099,1201 0.085,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.078,1210 2.062,1211 1.382,1212 2.067,1213 1.928,1214 1.896,1215 2.048,1216 2.043,1217 1.295,1218 2.045,1219 1.808,1220 1.739,1221 1.998,1222 1.988,1223 1.214,1224 2.001,1225 1.66,1226 1.601,1227 1.872,1228 1.835,1229 1.103,1230 1.851,1231 1.497,1232 1.43,1233 1.751,1234 1.697,1235 0.967,1236 1.711,1237 1.399,1238 1.329,1239 1.574,1240 1.641,1241 0.825,1242 1.631,1243 1.29,1244 1.221,1245 1.513,1246 1.492,1247 0.724,1248 1.505,1249 1.153,1250 1.064,1251 1.479,1252 1.442,1253 0.58,1254 1.429,1255 4.29,1257 5.58,1258 3.045,1259 7.055,1260 5.283,1261 8.615,1262 7.286,1263 10.22,1271 11.901,1276 5.261,1280 38.977,1281 86.279,1282 207.998,1283 272.226,1284 305.245,1285 314,1286 320,1287 37.725,1288 8.168,1289 52.98,1290 52.98,1291 28,1292 12.531,1293 4.459,1294 3.524,1295 46.235,1296 179,1297 172,1298 0.122,1299 237.624,1300 395.2,1301 571.561,1302 51426,1304 21.589,1305 0.675,1306 0.583,1307 21.589,1308 18.658,1309 15.848,1310 0.44,1311 0.327,1312 11.65,1313 15.33,1314 11.426,1315 9.442,1316 15.848,1317 11.787,1318 13.632,1319 0.284,1320 0.183,1321 13.632,1322 8.789,1323 11.772,1324 0.187,1325 0.105,1326 11.772,1327 6.636,1328 9.744,1329 0.122,1330 0.059,1331 9.744,1332 4.749,1333 7.415,1334 0.079,1335 0.035,1336 7.415,1337 3.274,1338 0.203,1339 98.345,1340 0.198,1341 31.137,1342 0.307,1343 168,1344 380.558,1345 179.185,1346 379.126,1347 536.47,1348 360,1349 195,1350 409.476,1351 208.017,1352 417.901,1353 604.32,1354 394,1355 8.354} {0 CHEMBL352159,1 1.486,2 14.097,3 3.901,4 15.219,5 131.373,6 7.555,7 0.6,8 4.145,9 4.278,10 3.747,11 3.712,12 5.168,13 3.674,14 4.696,15 4.886,16 4.099,17 4.131,18 5.625,19 4.066,20 4.941,21 5.161,22 4.105,23 4.303,24 5.773,25 4.167,26 5.039,27 5.289,28 4.03,29 4.316,30 5.823,31 4.139,32 5.019,33 5.295,34 3.979,35 4.235,36 5.785,37 4.056,38 4.885,39 5.137,40 3.952,41 4.162,42 5.703,43 4,44 4.848,45 5.104,46 3.843,47 4.079,48 5.665,49 3.913,50 4.774,51 5.053,52 3.662,53 3.948,54 5.533,55 3.776,56 0.068,57 0.902,58 11.736,59 4.908,60 10.282,61 6.748,62 0.251,63 1.502,64 23.241,65 8.131,66 18.424,67 11.481,68 0.249,69 1.79,70 33.273,71 12.458,72 24.154,73 16.962,74 0.226,75 1.885,76 39.606,77 14.879,78 30.415,79 19.912,80 0.302,81 1.821,82 40.628,83 14.339,84 34.215,85 19.309,86 0.26,87 1.652,88 34.931,89 12.334,90 28.614,91 16.347,92 0.269,93 1.579,94 33.433,95 11.712,96 29.858,97 15.692,98 0.282,99 1.421,100 29.697,101 10.11,102 27.29,103 14.139,104 2,105 48,106 0.24,107 0.58,108 0.761,109 0.857,110 0.864,111 0.864,112 3.471,113 0.957,114 -4.86,115 -4.77,116 -4.47,119 42.1,121 2,125 5,140 8,141 3,142 1,149 1,150 1,156 1,158 2,164 1,169 11,171 2,172 4,176 3,178 11,181 1,182 5,186 3,189 8,193 8,197 1,199 3,203 9,206 1,211 2,215 7,218 1,222 1,226 6,229 2,233 1,236 1,237 5,244 3,249 1,252 1,256 5,259 1627,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.016,266 23.639,267 12.946,268 22.085,269 17.33,270 17.33,271 17.33,272 17.33,273 17.33,274 13.495,275 25.866,276 6.198,277 18.178,278 4.347,279 2.248,280 1.127,281 0.54,282 0.491,283 0.491,284 4.185,289 1,290 981,291 2.915,294 162.85,295 309.634,298 138.304,302 2.171,303 13.498,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 437,316 4.568,317 3.947,318 6.566,319 4.099,320 3.118,321 4.518,322 2.109,323 10.431,324 3.062,325 4.129,326 3.196,327 6.104,328 3.818,329 2.902,330 3.731,331 0.858,332 8.923,333 2.671,334 4.065,335 2.885,336 6.095,337 3.689,338 2.752,339 3.472,340 0.704,341 8.884,342 2.577,343 3.823,344 2.806,345 5.373,346 3.464,347 2.49,348 3.112,349 0.088,350 7.083,351 2.413,352 3.439,353 2.735,354 5.179,355 3.136,356 2.205,357 2.812,359 6.351,360 2.059,361 3.283,362 2.193,363 5.121,364 2.988,365 2.019,366 2.593,368 5.993,369 1.937,370 3.238,371 2.157,372 4.514,373 2.73,374 1.776,375 2.301,377 4.655,378 1.69,379 2.926,380 1.795,381 4.159,382 2.493,383 1.529,384 2.072,386 3.745,387 1.472,388 2.742,389 1.509,390 4.131,391 2.314,392 1.348,393 1.847,395 3.478,396 1.303,397 2.589,398 1.368,399 3.59,400 2.287,401 1.317,402 1.552,404 3.004,405 1.26,406 2.5,407 1.165,408 3.475,409 2.084,410 1.12,411 1.5,413 2.53,414 1.077,415 2.426,416 1,417 3.319,418 2,419 1,420 1.4,422 2.136,423 1,424 2.255,425 0.962,426 3.247,427 1.86,428 0.895,429 1.196,431 2.098,432 0.862,433 2.118,434 0.936,435 3.182,436 1.566,437 0.618,438 0.927,440 1.481,441 0.581,442 1.986,443 0.679,444 3,445 1.518,446 0.609,447 0.824,449 1.372,450 0.556,451 15.233,452 0.491,453 0.585,454 0.019,455 39.75,456 1.282,457 19,458 0.613,459 20.75,460 0.669,461 26.602,462 0.858,463 32.167,464 0.564,465 27.48,466 0.886,467 7.88,468 0.254,469 7.379,470 0.238,471 0.055,473 0.276,479 0.888,480 1.324,481 0.686,482 0.952,483 0.587,484 0.934,485 1.274,486 1.014,487 0.835,488 0.838,489 0.758,490 0.901,491 0.932,492 1.037,493 1.051,494 1.088,495 0.856,496 1.104,497 0.797,498 1.077,499 1.114,500 1.163,501 0.929,502 1.124,503 0.859,504 0.919,505 1.03,506 0.994,507 0.95,508 0.944,509 0.982,510 1.015,511 1.15,512 1.094,513 1.03,514 1.029,515 0.936,516 1.073,517 1.15,518 1.145,519 1.031,520 1.086,521 1.146,522 0.869,523 0.967,524 0.889,525 1.109,526 0.974,527 5,528 0.111,529 3.111,530 1.382,531 1.348,532 0.764,533 0.505,534 0.301,535 0.182,536 0.168,537 16119,538 38664,539 2.2,540 45.6,541 2,542 18,543 1,544 2,545 1,547 2,550 1.73,551 2.138,552 3.768,553 -0.361,559 84.714,560 1.486,561 3.585,562 4.705,563 5.293,564 5.342,565 5.342,566 3.244,567 4.567,568 4.927,569 3.958,570 1840.65,571 8.568,572 27820.7,574 1,577 332.475,578 1.058,579 4.918,580 0.143,581 0.005,582 0.065,583 0.031,584 0.034,585 0.02,586 0.014,587 0.009,588 0.007,589 0.006,590 0.333,591 0.17,592 0.88,593 0.32,594 165.101,595 0.115,596 -0.189,597 0.058,598 -0.066,599 0.168,600 -0.015,601 -0.069,602 0.09,603 -0.016,604 0.036,605 0.012,606 0.01,607 -0.064,608 -0.035,609 -0.102,610 -0.094,611 -0.048,612 -0.117,613 -0.027,614 -0.134,615 -0.078,616 -0.114,617 -0.031,618 -0.103,619 0.03,620 0.013,621 0.045,622 0.048,623 0.033,624 0.073,625 -0.032,626 -0.033,627 -0.051,628 -0.036,629 -0.026,630 -0.027,631 0.041,632 -0.101,633 -0.082,634 -0.115,635 -0.026,636 -0.091,637 -0.096,638 0.077,639 -0.019,640 0.047,641 -0.13,642 0.002,643 0.617,644 2.05,645 0.839,646 35.109,647 0.992,648 1.124,649 3.629,650 13.172,651 0.689,652 3.584,653 3.892,654 4.174,655 4.431,656 4.605,657 4.673,658 4.804,659 4.934,660 4.984,661 5.024,662 8.241,663 0.642,664 430.63,665 3.584,666 5.118,667 5.969,668 6.836,669 7.7,670 8.573,671 9.442,672 10.318,673 11.191,674 12.068,675 10.5,678 1,682 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 57,716 22,717 2,718 35,720 61,721 24,722 16,723 4,724 8,730 5,731 6,743 2,745 17,746 7,750 1,756 1,759 1,764 26,765 4,766 1,767 7,768 1,773 6,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,821 1,827 31,833 7,838 2,844 1,854 14.5,855 10.083,856 6.778,857 3.483,858 3.575,859 1.44,860 1.028,861 6.117,862 11.7,863 3.861,864 4.443,865 5.029,866 5.607,867 6.042,868 6.366,869 6.808,870 7.234,871 7.429,872 7.635,873 1,874 45,875 11.425,877 4.809,878 7.457,879 22.572,881 18.905,883 1.957,884 60.667,888 294.278,889 177.443,890 58.259,894 45.192,895 132.251,896 294.278,897 58.259,899 18.722,900 84.857,901 74.819,902 33.51,903 13.915,904 258.964,905 45.192,906 294.278,907 190.51,909 45.192,911 270.735,912 23.542,915 57.768,916 99.416,917 33.326,918 45.192,919 294.278,920 58.259,921 177.443,924 294.278,925 30.156,926 110.242,927 16.786,928 78.518,929 294.278,930 58.259,931 177.443,933 0.576,934 0.337,935 0.184,936 0.094,937 24,938 9,939 0.115,940 7,941 1,942 1.077,943 4.51,944 275.137,945 0.077,946 26,947 145.58,949 1,951 20.375,952 9.308,953 4.715,954 2.442,955 39.575,956 22.607,957 7.821,958 3.404,961 3.761,962 1.937,963 16.786,964 529.979,965 46.5,971 5.717,974 1.056,975 56.523,976 64.062,977 0.255,978 0.615,979 0.807,980 0.907,981 0.916,982 0.916,983 5.083,984 1.529,985 5.927,986 4.655,987 4.575,988 5.13,989 2.361,990 6.706,991 4.483,992 6.263,993 1.348,994 7.459,995 3.745,996 4.007,997 4.783,998 1.847,999 7.516,1000 3.844,1001 7.55,1002 1.317,1003 9.091,1004 3.478,1005 6.133,1006 7.301,1007 3.36,1008 10.616,1009 5.952,1010 8.874,1011 1.12,1012 10.784,1013 3.004,1014 6.447,1015 7.892,1016 3.48,1017 12.292,1018 6.198,1019 10.234,1020 1,1021 12.517,1022 2.53,1023 7.972,1024 9.805,1025 4.669,1026 14.872,1027 7.709,1028 11.62,1029 0.895,1030 14.278,1031 2.136,1032 8.696,1033 10.851,1034 5.078,1035 16.904,1036 8.379,1037 13.026,1038 0.618,1039 16.058,1040 2.098,1041 9.973,1042 12.515,1043 6.076,1044 19.306,1045 9.639,1046 3.118,1047 0.609,1048 17.854,1049 1.481,1050 10.895,1051 13.792,1052 6.634,1053 21.494,1054 10.521,1055 2.902,1056 10.431,1057 19.66,1058 1.372,1059 12.067,1060 15.353,1061 7.524,1062 23.836,1063 11.675,1064 2.752,1065 8.923,1066 21.476,1067 4.518,1068 13.084,1069 16.743,1070 8.162,1071 26.095,1072 12.664,1073 2.49,1074 8.884,1075 23.298,1076 3.731,1077 14.214,1078 18.264,1079 8.991,1080 28.418,1081 13.777,1082 2.205,1083 7.083,1084 25.127,1085 3.472,1086 15.279,1087 19.711,1088 9.675,1089 30.711,1090 14.82,1091 2.019,1092 6.351,1093 26.961,1094 3.112,1095 16.394,1096 21.217,1097 10.469,1098 33.033,1099 15.92,1100 1.776,1101 5.993,1102 28.799,1103 2.812,1104 17.482,1105 22.693,1106 11.18,1107 35.344,1108 16.992,1109 14671,1110 22882,1111 24.444,1112 39.296,1113 52.679,1114 53.215,1115 52.233,1116 52.115,1117 52.06,1118 68.462,1119 7.516,1120 145.952,1121 49.663,1122 5.568,1123 5.947,1124 6.367,1125 5.167,1126 5.118,1127 7.518,1128 3.705,1129 17.096,1130 5.062,1131 7.293,1132 1.505,1133 1.52,1134 1.492,1135 1.489,1136 1.487,1137 1.956,1138 0.215,1139 4.17,1140 1.419,1141 4.154,1142 4.192,1143 4.116,1144 4.062,1145 5.135,1146 4.07,1147 3.944,1148 3.988,1149 3.998,1150 3.867,1151 4.928,1152 3.858,1153 3.833,1154 3.907,1155 3.8,1156 3.677,1157 4.813,1158 3.663,1159 3.79,1160 3.847,1161 3.786,1162 3.583,1163 4.716,1164 3.616,1165 3.519,1166 3.585,1167 3.479,1168 3.385,1169 4.263,1170 3.372,1171 3.291,1172 3.359,1173 3.275,1174 3.138,1175 4.144,1176 3.134,1177 3.148,1178 3.233,1179 3.157,1180 3.066,1181 3.92,1182 2.988,1183 3.113,1184 3.175,1185 2.995,1186 2.977,1187 3.796,1188 2.966,1189 0.131,1190 0.113,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.947,1197 0.06,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 2.109,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.056,1210 2.056,1211 1.339,1212 2.059,1213 1.921,1214 1.889,1215 2.04,1216 2.035,1217 1.234,1218 2.039,1219 1.776,1220 1.719,1221 1.954,1222 1.943,1223 1.139,1224 1.957,1225 1.634,1226 1.581,1227 1.821,1228 1.803,1229 1.059,1230 1.817,1231 1.405,1232 1.334,1233 1.582,1234 1.661,1235 0.756,1236 1.64,1237 1.319,1238 1.255,1239 1.492,1240 1.524,1241 0.675,1242 1.528,1243 1.136,1244 1.079,1245 1.422,1246 1.442,1247 0.621,1248 1.379,1249 1.131,1250 1.061,1251 1.393,1252 1.351,1253 0.576,1254 1.379,1255 4.263,1257 5.572,1258 3.045,1259 7.069,1260 5.283,1261 8.652,1262 7.286,1263 10.28,1271 7.095,1276 4.828,1280 36.583,1281 84.714,1282 204.363,1283 268.21,1284 301.72,1285 304.475,1286 304.475,1287 36.653,1288 8.124,1289 52.98,1290 85.07,1291 28,1292 12.607,1293 4.524,1294 3.644,1295 44.005,1296 157,1297 144,1298 0.135,1299 226.642,1300 376.47,1301 544.767,1302 45867,1304 21.045,1305 0.679,1306 0.589,1307 21.545,1308 18.261,1309 15.259,1310 0.436,1311 0.319,1312 10.654,1313 14.506,1314 10.401,1315 8.586,1316 15.548,1317 11.16,1318 13.466,1319 0.281,1320 0.178,1321 13.837,1322 8.565,1323 11.673,1324 0.182,1325 0.1,1326 12.026,1327 6.39,1328 9.798,1329 0.118,1330 0.056,1331 10.116,1332 4.618,1333 7.536,1334 0.076,1335 0.032,1336 7.798,1337 3.186,1338 0.22,1339 97.658,1340 0.202,1341 29.894,1342 0.347,1343 166,1344 403.419,1345 190.886,1346 424.612,1347 590.23,1348 400,1349 195,1350 433.552,1351 218.816,1352 451.247,1353 654.02,1354 424,1355 8.638} {0 CHEMBL352181,1 1.383,2 13.839,3 5.288,4 27.965,5 135.526,6 7.06,7 0.457,8 4.194,9 4.329,10 3.736,11 3.788,12 5.133,13 3.728,14 4.767,15 4.959,16 4.095,17 4.214,18 5.632,19 4.125,20 5.044,21 5.284,22 4.108,23 4.36,24 5.836,25 4.21,26 5.064,27 5.321,28 4.046,29 4.343,30 5.827,31 4.157,32 5.025,33 5.293,34 3.993,35 4.284,36 5.777,37 4.094,38 4.905,39 5.145,40 3.937,41 4.223,42 5.684,43 4.072,44 4.936,45 5.178,46 3.867,47 4.213,48 5.699,49 4.058,50 4.961,51 5.247,52 3.728,53 4.134,54 5.653,55 3.933,56 0.098,57 0.901,58 13.744,59 5.708,60 9.084,61 8.038,62 0.2,63 1.546,64 26.448,65 9.645,66 18.564,67 13.93,68 0.261,69 1.926,70 37.511,71 13.864,72 28.677,73 19.526,74 0.234,75 1.915,76 39.963,77 15.31,78 30.571,79 20.841,80 0.264,81 1.844,82 41.73,83 15.402,84 32.067,85 20.326,86 0.198,87 1.663,88 33.83,89 12.813,90 24.794,91 17.509,92 0.213,93 1.697,94 31.473,95 12.121,96 23.86,97 17.448,98 0.25,99 1.665,100 34.363,101 13.144,102 26.982,103 18.608,104 2,105 48,106 0.222,107 0.562,108 0.743,109 0.838,110 0.852,111 0.852,112 3.471,113 1.011,114 -5.28,115 -5.17,116 -4.83,119 42.6,121 4,125 5,134 1,135 1,140 8,141 4,149 1,150 1,156 1,166 1,169 16,172 5,176 4,178 17,182 3,186 7,189 14,193 4,197 4,199 10,203 5,206 1,208 3,211 8,215 5,220 4,222 9,226 3,231 4,233 9,237 3,240 1,242 1,244 12,253 1,254 1,256 13,259 1735,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.391,266 20.712,267 12.905,268 21.919,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.973,275 21.822,276 6.172,277 17.865,278 4.548,279 2.431,280 1.303,281 0.713,282 0.623,283 0.623,284 4.184,289 1,290 957,291 3.162,294 168.859,295 302.383,298 137.264,302 2.306,303 12.261,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 429,316 4.568,317 3.793,318 6.566,319 4.109,320 3.12,321 4.515,322 1.058,323 10.433,324 3.087,325 4.163,326 3.201,327 6.105,328 3.814,329 2.852,330 3.675,331 0.8,332 8.923,333 2.762,334 4.102,335 2.995,336 6.044,337 3.723,338 2.741,339 3.553,340 0.657,341 8.668,342 2.671,343 3.565,344 2.834,345 5.368,346 3.466,347 2.536,348 2.763,350 7.028,351 2.36,352 3.491,353 2.561,354 5.309,355 3.297,356 2.337,357 2.652,359 6.833,360 2.238,361 3.346,362 2.229,363 5.104,364 2.964,365 1.979,366 2.506,368 5.94,369 1.946,370 3.194,371 2.146,372 4.439,373 2.704,374 1.745,375 2.403,377 4.4,378 1.665,379 2.944,380 1.649,381 4.185,382 2.471,383 1.492,384 2.041,386 3.854,387 1.458,388 2.691,389 1.402,390 4.089,391 2.326,392 1.339,393 1.755,395 3.362,396 1.32,397 2.529,398 1.396,399 3.521,400 2.156,401 1.177,402 1.5,404 2.743,405 1.15,406 2.5,407 1.349,408 3.445,409 2,410 1.022,411 1.457,413 2.461,414 1,415 2.345,416 1.235,417 3.414,418 1.984,419 1,420 1.328,422 2.275,423 0.983,424 2.137,425 1,426 3.261,427 1.962,428 1,429 1.048,431 2.136,432 0.948,433 2.058,434 0.859,435 3.247,436 1.727,437 0.768,438 0.997,440 1.804,441 0.734,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.433,452 0.498,453 0.585,454 0.019,455 36.5,456 1.177,457 17,458 0.548,459 19.5,460 0.629,461 29.041,462 0.937,463 32.567,464 0.534,465 25.323,466 0.817,467 6.979,468 0.225,469 8.281,470 0.267,471 0.054,473 0.279,479 0.961,480 1.154,481 0.752,482 0.909,483 0.735,484 0.938,485 1.404,486 1.115,487 0.865,488 0.907,489 0.758,490 0.963,491 1.18,492 1.046,493 0.964,494 0.982,495 0.833,496 1.027,497 0.951,498 1.037,499 1.013,500 1.029,501 1.059,502 1.035,503 0.883,504 0.971,505 1.149,506 1.068,507 1.162,508 0.947,509 1.009,510 1.102,511 1.075,512 1.085,513 1.065,514 1.032,515 1.186,516 1.133,517 0.935,518 1.024,519 1.032,520 1.145,521 0.914,522 0.926,523 0.843,524 0.9,525 0.834,526 0.998,527 5,528 0.094,529 3.333,530 1.389,531 1.192,532 0.951,533 0.462,534 0.265,535 0.321,536 0.138,537 15639,538 31920,539 2.2,540 49.2,542 19,543 1,545 2,547 8,550 1.732,551 2.138,552 3.739,553 0.129,559 84.357,560 1.383,561 3.5,562 4.627,563 5.217,564 5.308,565 5.308,566 3.26,567 4.349,568 4.921,569 3.934,570 1829.24,571 8.573,572 27237.9,577 361.775,578 1.058,579 4.918,580 0.143,581 0.004,582 0.069,583 0.031,584 0.03,585 0.024,586 0.012,587 0.007,588 0.011,589 0.005,590 0.336,591 0.17,592 0.88,593 0.32,594 164.311,595 0.145,596 -0.02,597 0.05,598 0.008,599 0.073,600 0.03,601 -0.114,602 -0.016,603 -0.014,604 -0.008,605 0.058,606 -0.016,607 -0.097,608 -0.03,609 -0.04,610 -0.037,611 0.076,612 -0.059,613 -0.032,614 -0.06,615 -0.004,616 -0.023,617 -0.023,618 -0.043,619 0.067,620 0.012,621 0.012,622 0.018,623 -0.004,624 0.059,625 -0.04,626 -0.098,627 -0.078,628 -0.085,629 -0.087,630 -0.044,631 -0.143,632 -0.14,633 -0.142,634 -0.152,635 -0.198,636 -0.189,637 0.021,638 0.006,639 0.017,640 0.006,641 0.018,642 -0.027,643 0.881,644 1.899,645 0.839,646 38.672,647 0.983,648 1.12,649 4.051,650 16.41,651 0.681,652 3.584,653 3.892,654 4.174,655 4.419,656 4.595,657 4.682,658 4.86,659 5.017,660 5.124,661 5.242,662 8.052,663 0.625,664 430.67,665 3.584,666 5.118,667 5.969,668 6.834,669 7.698,670 8.568,671 9.438,672 10.312,673 11.186,674 12.063,675 6.6,678 2,682 1,683 1,687 2,688 9,690 1,693 3,695 16,714 61,716 18,717 2,718 35,720 65,721 26,722 14,723 4,724 8,725 3,730 5,731 6,740 3,743 4,745 17,746 9,750 2,756 1,757 1,759 2,764 30,765 3,766 2,767 5,768 1,773 4,776 1,777 0.8,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,821 1,827 31,833 9,834 1,838 2,854 14.5,855 10.65,856 6.778,857 3.939,858 3.293,859 1.403,860 1.031,861 6.394,862 11.473,863 3.829,864 4.391,865 4.972,866 5.529,867 6.012,868 6.313,869 6.745,870 7.097,871 7.252,872 7.532,873 1,874 45,875 11.484,877 4.854,878 7.366,879 23.043,881 19.623,883 1.866,884 57.833,888 329.591,889 178.365,890 40.8,894 45.192,895 133.173,896 329.591,897 40.8,899 38.555,900 94.334,901 0.713,902 38.227,903 13.915,904 317.82,905 45.192,906 329.591,907 173.973,909 45.192,911 235.422,912 94.169,915 61.467,916 103.03,917 9.476,918 45.192,919 329.591,920 40.8,921 178.365,924 329.591,925 38.839,926 100.46,927 34.674,928 45.192,929 329.591,930 40.8,931 178.365,933 0.577,934 0.338,935 0.181,936 0.09,937 24,938 9,939 0.092,940 6,941 1,942 1.077,943 4.49,944 277.224,945 0.077,946 26,947 143.58,949 1,951 20.743,952 9.555,953 4.868,954 2.622,955 24.014,956 19.239,958 3.467,961 3.85,963 34.674,964 548.756,965 45,971 5.566,972 2.335,974 2.214,975 59.97,976 68.311,977 0.233,978 0.59,979 0.78,980 0.88,981 0.895,982 0.895,983 5.063,984 1.492,985 5.927,986 4.4,987 4.575,988 5.078,989 1.622,990 6.703,991 4.515,992 6.236,993 1.339,994 7.459,995 3.854,996 4.007,997 4.771,998 0.325,999 7.516,1000 3.9,1001 7.525,1002 1.177,1003 9.09,1004 3.362,1005 6.133,1006 7.237,1007 1.469,1008 10.606,1009 6.021,1010 8.851,1011 1.022,1012 10.782,1013 2.743,1014 6.447,1015 7.858,1016 0.268,1017 12.284,1018 6.298,1019 10.215,1020 1,1021 12.515,1022 2.461,1023 7.97,1024 9.752,1025 1.445,1026 14.853,1027 7.814,1028 11.604,1029 1,1030 14.274,1031 2.275,1032 8.689,1033 10.819,1034 0.188,1035 16.886,1036 8.508,1037 13.013,1038 0.768,1039 16.054,1040 2.136,1041 9.963,1042 12.478,1043 1.478,1044 19.282,1045 9.774,1046 3.12,1047 0.618,1048 17.847,1049 1.804,1050 10.878,1051 13.766,1052 0.125,1053 21.471,1054 10.673,1055 2.852,1056 10.433,1057 19.652,1058 1.372,1059 12.046,1060 15.326,1061 1.54,1062 23.81,1063 11.833,1064 2.741,1065 8.923,1066 21.466,1067 4.515,1068 13.058,1069 16.723,1070 0.082,1071 26.07,1072 12.834,1073 2.536,1074 8.668,1075 23.287,1076 3.675,1077 14.185,1078 18.243,1079 1.615,1080 28.393,1081 13.952,1082 2.337,1083 7.028,1084 25.115,1085 3.553,1086 15.244,1087 19.693,1088 0.054,1089 30.688,1090 15.004,1091 1.979,1092 6.833,1093 26.947,1094 2.763,1095 16.357,1096 21.2,1097 1.699,1098 33.01,1099 16.109,1100 1.745,1101 5.94,1102 28.784,1103 2.652,1104 17.442,1105 22.676,1106 0.035,1107 35.323,1108 17.188,1109 14301,1110 20592,1111 24.444,1112 41.569,1113 52.411,1114 53.764,1115 52.289,1116 52.246,1117 52.155,1118 66.436,1119 5.031,1120 146.154,1121 50.526,1122 5.519,1123 5.793,1124 6.368,1125 5.149,1126 5.12,1127 7.515,1128 2.117,1129 17.105,1130 5.087,1131 7.409,1132 1.497,1133 1.536,1134 1.494,1135 1.493,1136 1.49,1137 1.898,1138 0.144,1139 4.176,1140 1.444,1141 4.149,1142 4.182,1143 4.109,1144 4.074,1145 4.972,1146 4.077,1147 3.923,1148 3.959,1149 4.01,1150 3.875,1151 4.909,1152 3.857,1153 3.849,1154 3.917,1155 3.736,1156 3.709,1157 4.592,1158 3.709,1159 3.806,1160 3.859,1161 3.699,1162 3.666,1163 4.466,1164 3.664,1165 3.463,1166 3.522,1167 3.589,1168 3.349,1169 4.338,1170 3.333,1171 3.308,1172 3.375,1173 3.317,1174 3.257,1175 4.164,1176 3.182,1177 3.195,1178 3.255,1179 3.094,1180 3.042,1181 3.854,1182 3.033,1183 3.035,1184 3.126,1185 2.826,1186 2.873,1187 3.71,1188 2.846,1189 0.131,1190 0.108,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.793,1197 0.03,1198 6.566,1199 0.298,1200 4.109,1201 0.088,1202 3.12,1203 4.515,1204 1.058,1205 10.433,1206 3.087,1207 1.994,1208 1.971,1209 2.089,1210 2.077,1211 1.331,1212 2.083,1213 1.905,1214 1.881,1215 2.011,1216 1.98,1217 1.23,1218 1.996,1219 1.745,1220 1.696,1221 1.921,1222 1.902,1223 1.211,1224 1.912,1225 1.665,1226 1.602,1227 1.86,1228 1.87,1229 1.085,1230 1.869,1231 1.577,1232 1.507,1233 1.852,1234 1.751,1235 1.062,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.659,1241 0.872,1242 1.658,1243 1.245,1244 1.214,1245 1.435,1246 1.431,1247 0.693,1248 1.439,1249 1.114,1250 1.045,1251 1.41,1252 1.326,1253 0.536,1254 1.366,1255 4.263,1257 5.572,1258 3.045,1259 7.069,1260 5.283,1261 8.647,1262 7.273,1263 10.27,1271 10.35,1272 3.396,1276 4.795,1280 38.121,1281 84.357,1282 213.497,1283 282.265,1284 318.265,1285 323.775,1286 323.775,1287 37.935,1288 8.18,1289 34.3,1290 66.39,1291 28,1292 12.602,1293 4.248,1294 3.459,1295 43.894,1296 149,1297 144,1298 0.14,1299 235.166,1300 402.61,1301 565.565,1302 47281,1304 21.045,1305 0.679,1306 0.605,1307 21.545,1308 18.757,1309 15.259,1310 0.436,1311 0.337,1312 11.331,1313 14.675,1314 11.059,1315 9.116,1316 15.548,1317 11.797,1318 13.454,1319 0.28,1320 0.188,1321 13.825,1322 9.014,1323 11.741,1324 0.183,1325 0.107,1326 12.094,1327 6.866,1328 9.732,1329 0.119,1330 0.061,1331 10.066,1332 4.966,1333 7.437,1334 0.076,1335 0.033,1336 7.673,1337 3.186,1338 0.227,1339 96.529,1340 0.202,1341 29.794,1342 0.367,1343 166,1344 350.816,1345 187.305,1346 376.606,1347 528.78,1348 356,1349 195,1350 387.907,1351 214.57,1352 406.499,1353 594.61,1354 385,1355 8.022} {0 CHEMBL352234,1 1.523,2 13.867,3 2.626,4 6.897,5 117.698,6 7.044,7 0.485,8 4.157,9 4.284,10 3.678,11 3.641,12 5.211,13 3.626,14 4.712,15 4.896,16 4.008,17 4.03,18 5.696,19 3.994,20 4.944,21 5.155,22 4.063,23 4.188,24 5.92,25 4.113,26 4.996,27 5.208,28 3.976,29 4.208,30 5.931,31 4.095,32 5.069,33 5.33,34 3.903,35 4.113,36 5.981,37 3.989,38 4.921,39 5.174,40 3.767,41 3.96,42 5.83,43 3.861,44 4.734,45 4.957,46 3.7,47 3.895,48 5.716,49 3.79,50 4.774,51 5.037,52 3.644,53 3.843,54 5.712,55 3.719,56 0.028,57 0.854,58 13.016,59 5.145,60 10.12,61 7.083,62 0.288,63 1.348,64 24.663,65 8.253,66 26.208,67 11.728,68 0.507,69 1.602,70 31.968,71 10.873,72 45.601,73 15.446,74 0.278,75 1.638,76 33.247,77 12.398,78 40.743,79 17.431,80 0.495,81 1.606,82 37.937,83 12.495,84 60.479,85 18.164,86 0.555,87 1.383,88 33.171,89 9.767,90 50.072,91 14.2,92 0.349,93 1.22,94 26.222,95 9.042,96 38.962,97 12.834,98 0.295,99 1.209,100 27.936,101 9.522,102 43.254,103 13.868,104 15,105 45,106 0.249,107 0.575,108 0.743,109 0.835,110 0.864,111 0.864,112 3.44,113 0.934,114 -2.54,115 -2.57,116 -2.51,119 39.7,121 1,124 1,125 6,140 7,141 2,142 3,149 1,150 1,156 1,161 1,162 1,163 1,169 6,171 1,172 6,176 4,178 7,180 1,181 3,182 4,186 4,189 5,191 1,192 1,193 3,197 1,199 2,201 1,202 1,203 7,206 1,207 1,208 1,210 1,211 1,213 1,214 1,215 5,220 1,224 1,225 1,226 5,228 1,229 1,231 1,235 1,237 7,240 2,248 1,249 4,259 1528,260 20.756,261 20.756,262 20.756,263 20.756,264 20.756,265 18.798,266 24.723,267 12.32,268 21.325,269 16.19,270 16.19,271 16.19,272 16.19,273 16.19,274 13.06,275 31.033,276 5.674,277 16.994,278 4.335,279 2.336,280 1.304,281 0.737,282 0.565,283 0.565,284 4.139,288 1,289 1,290 904,291 3.464,294 80.918,295 302.479,298 140.665,302 2.218,303 25.084,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 416,316 4.55,317 3.742,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.176,326 3.183,327 6.19,328 3.879,329 2.935,330 3.726,331 0.933,332 9.227,333 2.77,334 3.949,335 3.139,336 5.995,337 3.688,338 2.73,339 3.176,340 0.86,341 8.485,342 2.61,343 3.698,344 2.763,345 5.316,346 3.319,347 2.381,348 3.055,349 0.8,350 6.86,351 2.235,352 3.568,353 2.726,354 5.282,355 3.249,356 2.311,357 2.795,358 0.51,359 6.702,360 2.159,361 3.344,362 2.277,363 5.096,364 2.939,365 1.971,366 2.672,368 5.915,369 1.899,370 2.933,371 2.155,372 4.422,373 2.637,374 1.664,375 2.006,377 4.373,378 1.607,379 2.745,380 1.673,381 4.163,382 2.313,383 1.351,384 1.849,386 3.562,387 1.299,388 2.678,389 1.476,390 4.06,391 2.284,392 1.307,393 1.722,395 3.361,396 1.269,397 2.367,398 1.379,399 3.482,400 2.052,401 1.092,402 1.337,404 2.525,405 1.044,406 2.313,407 1.173,408 3.414,409 2.004,410 1.042,411 1.262,413 2.275,414 0.998,415 2.003,416 1.146,417 3.338,418 1.967,419 1,420 1,422 2.112,423 0.965,424 2,425 1.132,426 3.099,427 1.643,428 0.691,429 0.882,431 1.438,432 0.653,433 1.718,434 0.935,435 2.986,436 1.342,437 0.43,438 0.501,440 0.914,441 0.377,442 1.583,443 0.74,444 2.704,445 1.292,446 0.405,447 0.478,449 0.621,450 0.364,451 14.1,452 0.47,453 0.585,454 0.019,455 37,456 1.233,457 17,458 0.567,459 20,460 0.667,461 25.289,462 0.843,463 33.3,464 0.574,465 27.938,466 0.931,467 7.59,468 0.253,469 7.083,470 0.236,471 0.087,473 0.305,479 0.895,480 1.429,481 0.843,482 1.178,483 0.729,484 1.019,485 1.201,486 1.091,487 0.97,488 0.937,489 0.75,490 0.909,491 1.043,492 0.929,493 1.035,494 0.954,495 0.953,496 0.979,497 0.927,498 1.252,499 1.12,500 1.304,501 1.191,502 1.259,503 0.989,504 1.009,505 0.941,506 1.025,507 1.114,508 0.993,509 1.513,510 0.851,511 1.098,512 0.83,513 1.221,514 0.889,515 1.078,516 1.113,517 1.095,518 1.142,519 1.116,520 1.133,521 0.825,522 1.038,523 0.866,524 1.056,525 1.176,526 0.988,527 5.5,528 0.056,529 3.556,530 1.604,531 1.298,532 1.028,533 0.519,534 0.348,535 0.329,536 0.223,537 13638,538 33118,539 2.107,540 48.3,542 22,543 1,545 3,547 2,550 1.722,551 2,552 3.74,553 0.867,555 1,559 88.36,560 1.523,561 3.522,562 4.554,563 5.121,564 5.293,565 5.293,566 3.236,567 4.64,568 4.879,569 3.917,570 1703.74,571 8.474,572 25032.8,574 1,576 1,577 339.763,578 1.295,579 4.851,580 0.167,581 0.002,582 0.079,583 0.035,584 0.032,585 0.029,586 0.016,587 0.012,588 0.012,589 0.009,590 0.392,591 0.33,592 1,593 0.92,594 157.912,595 -0.051,596 -0.178,597 0.06,598 -0.072,599 -0.055,600 0.002,601 -0.112,602 0.05,603 -0.001,604 0.075,605 -0.024,606 0.061,607 -0.001,608 0.14,609 -0.062,610 0.048,611 0.003,612 -0.002,613 -0.034,614 -0.236,615 -0.173,616 -0.261,617 -0.116,618 -0.245,619 0.054,620 -0.095,621 0.059,622 -0.055,623 0.007,624 -0.01,625 -0.184,626 0.092,627 -0.06,628 0.099,629 -0.115,630 0.049,631 -0.011,632 -0.12,633 -0.116,634 -0.137,635 0.006,636 -0.146,637 0.099,638 -0.121,639 0.119,640 -0.072,641 0.081,642 0.008,643 1.656,644 5.638,645 0.7,646 33.662,647 1,648 1.131,649 1.315,650 1.728,651 0.647,652 3.526,653 3.829,654 4.111,655 4.344,656 4.554,657 4.605,658 4.71,659 4.754,660 4.787,661 4.836,662 8.01,663 0.613,664 408.55,665 3.526,666 5.056,667 5.905,668 6.772,669 7.637,670 8.508,671 9.378,672 10.251,673 11.123,674 11.998,675 6.9,676 1,681 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,709 1,712 2,714 58,716 17,717 2,718 33,720 61,721 23,722 14,723 5,724 7,730 4,731 5,736 1,743 1,745 15,746 8,750 1,755 1,759 1,761 1,764 28,765 6,766 3,767 7,773 4,777 0.75,778 3,788 1,792 1,793 3,796 1,806 1,812 1,819 3,823 1,827 30,828 1,833 7,835 2,838 2,847 5.2,850 1,852 2,854 15,855 10.4,856 6.778,857 3.396,858 2.931,859 1.375,860 0.991,861 6.696,862 10.739,863 3.761,864 4.327,865 4.904,866 5.459,867 5.942,868 6.169,869 6.494,870 6.778,871 6.72,872 6.824,873 1,874 46,875 11.111,877 4.653,878 7.656,879 21.495,881 17.58,883 2.156,884 64.667,887 1,888 294.278,889 129.771,890 55.931,892 47.145,895 129.771,896 341.422,897 55.931,898 10.883,899 53.677,900 75.381,901 29.85,902 60.912,903 13.915,904 282.506,906 294.278,907 185.702,908 47.145,911 270.735,912 70.687,915 70.462,916 115.239,919 294.278,920 103.076,921 129.771,924 294.278,925 43.506,926 92.513,927 16.786,928 80.042,929 294.278,930 103.076,931 129.771,933 0.571,934 0.342,935 0.184,936 0.101,937 21,938 9,939 0.115,940 7,941 1,942 1.095,943 4.287,944 257.352,945 0.095,946 21,947 143.207,951 20.878,952 9.621,953 4.869,954 2.142,955 86.291,956 15.834,958 3.243,961 3.82,963 49.683,964 527.124,965 42,970 12.638,974 0.011,975 57.992,976 65.604,977 0.26,978 0.601,979 0.777,980 0.874,981 0.904,982 0.904,983 4.99,984 1.351,985 5.872,986 4.373,987 4.511,988 5.014,989 2.548,990 6.661,991 4.422,992 6.17,993 1.307,994 7.416,995 3.562,996 4.007,997 4.783,998 1.738,999 7.516,1000 3.884,1001 7.465,1002 1.092,1003 9.059,1004 3.361,1005 6.084,1006 7.193,1007 3.366,1008 10.587,1009 5.916,1010 8.796,1011 1.042,1012 10.76,1013 2.525,1014 6.431,1015 7.844,1016 3.296,1017 12.277,1018 6.23,1019 10.163,1020 1,1021 12.498,1022 2.275,1023 7.934,1024 9.713,1025 4.567,1026 14.843,1027 7.698,1028 11.554,1029 0.691,1030 14.262,1031 2.112,1032 8.672,1033 10.788,1034 4.854,1035 16.879,1036 8.41,1037 12.963,1038 0.43,1039 16.044,1040 1.438,1041 9.938,1042 12.438,1043 5.902,1044 19.272,1045 9.646,1046 3.092,1047 0.405,1048 17.839,1049 0.914,1050 10.864,1051 13.727,1052 6.37,1053 21.46,1054 10.55,1055 2.935,1056 10.36,1057 19.645,1058 0.621,1059 12.029,1060 15.285,1061 7.288,1062 23.794,1063 11.691,1064 2.73,1065 9.227,1066 21.46,1067 4.504,1068 13.047,1069 16.682,1070 7.856,1071 26.05,1072 12.688,1073 2.381,1074 8.485,1075 23.282,1076 3.726,1077 14.171,1078 18.202,1079 8.696,1080 28.367,1081 13.792,1082 2.311,1083 6.86,1084 25.109,1085 3.176,1086 15.233,1087 19.652,1088 9.324,1089 30.655,1090 14.836,1091 1.971,1092 6.702,1093 26.941,1094 3.055,1095 16.342,1096 21.158,1097 10.117,1098 32.969,1099 15.927,1100 1.664,1101 5.915,1102 28.778,1103 2.795,1104 17.426,1105 22.634,1106 10.781,1107 35.274,1108 16.995,1109 12888,1110 20200,1111 22.364,1112 37.523,1113 49.07,1114 50.185,1115 50.414,1116 48.738,1117 48.806,1118 61.928,1119 10.317,1120 137.459,1121 46.582,1122 5.55,1123 5.742,1124 6.313,1125 5.16,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 12.986,1132 1.487,1133 1.521,1134 1.528,1135 1.477,1136 1.479,1137 1.877,1138 0.313,1139 4.165,1140 1.412,1141 4.132,1142 4.164,1143 4.09,1144 4.045,1145 7.427,1146 4.052,1147 3.961,1148 4.004,1149 3.896,1150 3.851,1151 5.037,1152 3.856,1153 3.764,1154 3.808,1155 3.683,1156 3.577,1157 4.957,1158 3.594,1159 3.573,1160 3.633,1161 3.462,1162 3.424,1163 4.868,1164 3.423,1165 3.446,1166 3.505,1167 3.315,1168 3.207,1169 4.562,1170 3.228,1171 3.288,1172 3.349,1173 3.173,1174 3.068,1175 4.422,1176 3.082,1177 3.231,1178 3.297,1179 3.048,1180 2.963,1181 4.219,1182 2.971,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.987,1188 2.91,1189 0.138,1190 0.113,1191 0.198,1192 0.124,1193 0.094,1194 4.55,1195 0.136,1196 3.742,1197 0.062,1198 6.546,1199 0.314,1200 4.076,1201 0.092,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.936,1208 1.918,1209 2.037,1210 2.065,1211 1.298,1212 2.059,1213 1.91,1214 1.878,1215 2.018,1216 2.021,1217 1.224,1218 2.02,1219 1.707,1220 1.651,1221 1.889,1222 1.896,1223 1.031,1224 1.895,1225 1.648,1226 1.59,1227 1.85,1228 1.845,1229 1.015,1230 1.853,1231 1.355,1232 1.313,1233 1.576,1234 1.634,1235 0.825,1236 1.614,1237 1.267,1238 1.183,1239 1.557,1240 1.545,1241 0.728,1242 1.544,1243 1.191,1244 1.117,1245 1.513,1246 1.496,1247 0.574,1248 1.516,1249 1.153,1250 1.064,1251 1.508,1252 1.376,1253 0.555,1254 1.429,1255 4.205,1257 5.509,1258 2.398,1259 7.013,1260 4.727,1261 8.603,1262 6.823,1263 10.237,1265 1.669,1269 5.686,1271 4.376,1273 11.112,1276 4.136,1280 35.552,1281 88.36,1282 204.26,1283 264.137,1284 297.008,1285 307.008,1286 307.008,1287 48.448,1288 7.808,1289 83.82,1290 83.82,1291 23,1292 12.538,1293 4.17,1294 3.322,1295 47.441,1296 146,1297 134,1298 0.156,1299 217.567,1300 373.57,1301 522.625,1302 30094,1304 20.924,1305 0.697,1306 0.576,1307 20.924,1308 17.265,1309 14.673,1310 0.445,1311 0.311,1312 10.095,1313 14.006,1314 9.876,1315 8.149,1316 14.673,1317 10.274,1318 12.66,1319 0.281,1320 0.165,1321 12.66,1322 7.418,1323 11.049,1324 0.184,1325 0.093,1326 11.049,1327 5.566,1328 8.98,1329 0.118,1330 0.051,1331 8.98,1332 3.867,1333 7.251,1334 0.077,1335 0.028,1336 7.251,1337 2.606,1338 0.254,1339 92.599,1340 0.211,1341 28.998,1342 0.403,1343 156,1344 442.142,1345 171.88,1346 418.854,1347 575.36,1348 396,1349 183,1350 420.665,1351 199.52,1352 424.198,1353 619.2,1354 399,1355 9.509} {0 CHEMBL353256,1 1.37,2 8.667,3 4.451,4 19.812,5 91.952,6 7.231,7 0.625,8 3.805,9 3.928,10 3.43,11 3.462,12 4.72,13 3.38,14 4.373,15 4.553,16 3.776,17 3.893,18 5.203,19 3.777,20 4.6,21 4.843,22 3.615,23 3.934,24 5.319,25 3.76,26 4.573,27 4.829,28 3.547,29 3.879,30 5.284,31 3.693,32 4.519,33 4.792,34 3.472,35 3.783,36 5.202,37 3.595,38 4.359,39 4.603,40 3.541,41 3.708,42 5.098,43 3.55,44 4.335,45 4.561,46 3.344,47 3.66,48 5.104,49 3.485,50 4.303,51 4.58,52 2.978,53 3.474,54 4.957,55 3.246,56 0.047,57 0.583,58 9.669,59 4.108,60 6.299,61 5.542,62 0.12,63 1.026,64 18.94,65 7.342,66 11.149,67 9.797,68 0.146,69 1.216,70 24.906,71 9.759,72 14.927,73 13.121,74 0.131,75 1.164,76 24.641,77 9.81,78 15.986,79 13.127,80 0.15,81 1.096,82 23.098,83 9.203,84 15.15,85 12.447,86 0.113,87 0.958,88 19.428,89 7.523,90 12.283,91 10.296,92 0.127,93 0.967,94 20.578,95 7.494,96 13.453,97 9.708,98 0.136,99 0.891,100 19.62,101 7.1,102 13.279,103 9.674,105 33,106 0.241,107 0.595,108 0.766,109 0.839,110 0.839,111 0.839,112 3.104,113 1.08,114 -4.61,115 -4.53,116 -4.26,119 43.9,121 3,125 3,140 5,141 3,149 2,150 2,169 8,172 3,176 3,178 10,182 1,186 3,189 10,193 1,197 1,199 11,203 1,206 1,211 7,215 2,220 2,222 5,226 1,231 3,233 3,237 2,244 4,249 1,256 2,259 574,260 14.792,261 14.792,262 14.792,263 14.792,264 14.792,265 13.104,266 9.904,267 8.869,268 15.164,269 11.886,270 11.886,271 11.886,272 11.886,273 11.886,274 9.347,275 9.832,276 4.237,277 12.485,278 3.988,279 1.976,280 1.003,281 0.585,282 0.585,283 0.585,284 3.805,288 1,289 1,290 409,291 2.236,294 150.615,295 49.857,298 78.328,302 1.492,303 5.869,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 43,315 182,316 4.569,317 3.182,318 6.566,319 4.103,320 3.119,321 4.518,322 0.8,323 10.433,324 3.071,325 4.129,326 2.857,327 6.096,328 3.702,329 2.755,330 3.732,332 8.885,333 2.607,334 3.563,335 2.759,336 5.368,337 3.463,338 2.534,339 2.819,341 7.026,342 2.354,343 3.392,344 2.157,345 5.106,346 2.986,347 2.009,348 2.606,350 5.948,351 1.957,352 3.243,353 1.783,354 4.514,355 2.72,356 1.774,357 2.5,359 4.654,360 1.665,361 2.737,362 1.4,363 4.127,364 2.333,365 1.348,366 1.841,368 3.457,369 1.326,370 2.425,371 1.258,372 3.522,373 2.184,374 1.214,375 1.402,377 2.755,378 1.174,379 2.308,380 0.975,381 3.335,382 1.896,383 0.939,384 1.274,386 2.161,387 0.888,388 2.118,389 0.757,390 3.207,391 1.658,392 0.705,393 0.946,395 1.684,396 0.666,397 2.089,398 0.744,399 3,400 1.591,401 0.618,402 0.927,404 1.372,405 0.6,406 1.618,407 0.618,408 3,409 1.462,410 0.618,411 0.618,413 1.372,414 0.506,415 1.517,416 0.388,417 2.907,418 1.3,419 0.329,420 0.387,422 0.796,423 0.318,424 0.847,425 -0.334,426 2.435,427 0.451,428 -0.514,429 -0.643,431 -1.322,432 -0.493,433 0.627,434 -0.738,435 2.201,436 0.175,437 -0.815,438 -1.054,440 -2.416,441 -0.805,442 0.22,443 -0.94,444 2,445 -0.043,446 -1.011,447 -1.327,449 -2.731,450 -0.977,451 10.633,452 0.506,453 0.359,454 0.017,455 25.25,456 1.202,457 12,458 0.571,459 13.25,460 0.631,461 17.399,462 0.829,463 21.767,464 0.531,465 13.909,466 0.662,467 4.543,468 0.216,469 5.856,470 0.279,473 0.273,479 1.036,480 1.126,481 0.79,482 0.885,483 0.846,484 0.903,485 1.447,486 1.012,487 0.969,488 0.909,489 0.9,490 0.939,491 1.136,492 0.981,493 0.983,494 0.973,495 0.812,496 1.023,497 0.887,498 0.958,499 0.924,500 0.951,501 0.962,502 0.978,503 0.727,504 0.848,505 0.779,506 0.83,507 0.883,508 0.881,509 0.808,510 1.007,511 0.74,512 0.862,513 0.888,514 0.886,515 1.512,516 1.265,517 1.341,518 1.264,519 1.41,520 1.198,521 1.257,522 1.049,523 1.1,524 1.095,525 1.445,526 1.137,527 3,528 0.014,529 2.222,530 0.729,531 0.668,532 0.5,533 0.292,534 0.085,535 0.097,536 0.037,537 4909,538 9678,539 2.246,540 48.8,542 11,543 2,545 1,547 6,550 1.631,551 2.211,552 3.134,553 -0.385,555 1,559 56.162,560 1.37,561 3.381,562 4.355,563 4.772,564 4.772,565 4.772,566 2.529,567 3.916,568 4.363,569 3.287,570 690.251,571 7.469,572 7319.98,574 1,576 1,577 219.66,578 0.863,579 4.366,580 0.125,581 0.002,582 0.067,583 0.027,584 0.027,585 0.022,586 0.012,587 0.004,588 0.008,589 0.004,590 0.298,591 0.67,592 1,594 94.831,595 0.043,596 -0.044,597 0.089,598 0.051,599 0.132,600 0.05,601 -0.158,602 0.065,603 -0.019,604 0.04,605 0.034,606 0.006,607 -0.129,609 -0.075,610 -0.038,611 0.085,612 -0.06,613 -0.021,614 -0.008,615 -0.004,617 0.035,619 0.168,620 0.09,621 0.103,622 0.094,623 0.079,624 0.093,625 0.162,626 -0.038,627 0.166,628 0.074,629 0.092,630 0.083,631 -0.206,632 -0.22,633 -0.274,634 -0.263,635 -0.248,636 -0.244,637 -0.158,638 -0.086,639 -0.165,640 -0.162,641 -0.359,642 -0.179,643 0.41,644 0.921,645 0.905,646 16.667,647 0.981,648 1.113,649 3.376,650 11.397,651 0.695,652 3.219,653 3.526,654 3.829,655 4.094,656 4.174,657 4.331,658 4.489,659 4.635,660 4.644,661 4.635,662 5.381,663 0.633,664 296.47,665 3.219,666 4.745,667 5.602,668 6.472,669 7.344,670 8.221,671 9.1,672 9.981,673 10.863,674 11.748,675 4.9,678 1,683 1,687 2,688 7,690 1,692 1,693 3,695 15,714 41,716 15,717 1,718 24,720 44,721 18,722 12,723 3,724 3,730 4,731 5,740 2,743 3,745 12,746 6,761 1,764 20,765 1,766 1,767 3,768 1,773 2,777 0.75,788 1,789 1,792 3,793 1,796 1,815 1,819 3,821 1,827 21,833 6,838 1,842 1,854 9.5,855 7.2,856 4.583,857 2.689,858 2.81,859 1.398,860 1.053,861 3.721,862 9.873,863 3.481,864 4.086,865 4.727,866 5.351,867 5.769,868 6.226,869 6.708,870 7.156,871 7.349,872 7.572,873 0.833,874 27,875 7.794,877 3.318,878 7.294,879 15.8,881 13.649,883 1.794,884 37.667,885 0.002,887 1,888 223.651,889 121.723,890 19.91,894 31.278,895 90.445,896 223.651,897 19.91,899 13.921,900 64.078,902 28.854,903 27.045,904 231.386,906 223.651,907 110.355,909 31.278,911 153.024,912 70.627,915 33.831,916 76.524,918 31.278,919 223.651,920 19.91,921 121.723,924 223.651,925 57.645,926 67.202,927 16.786,929 223.651,930 19.91,931 121.723,933 0.575,934 0.34,935 0.187,936 0.082,937 18,938 6,939 0.091,940 4,941 1,942 1.105,943 3.542,944 165.098,945 0.105,946 19,947 88.239,948 1,951 13.382,952 5.839,953 2.736,954 2.645,955 3.124,956 15.428,958 3.421,960 1.808,961 4.137,963 16.786,964 365.284,965 31.5,975 40.232,976 45.653,977 0.256,978 0.631,979 0.813,980 0.891,981 0.891,982 0.891,983 4.698,984 0.939,985 5.557,986 2.755,987 4.205,988 4.771,989 0.673,990 6.344,991 4.118,992 5.879,993 0.705,994 7.091,995 2.161,996 3.611,997 4.477,998 0.325,999 7.182,1000 3.496,1001 7.173,1002 0.618,1003 8.728,1004 1.684,1005 5.765,1006 7.001,1007 0.379,1008 10.29,1009 5.612,1010 8.513,1011 0.618,1012 10.429,1013 1.372,1014 6.111,1015 7.698,1016 0.268,1017 12.022,1018 5.928,1019 9.892,1020 0.329,1021 12.172,1022 1.372,1023 7.621,1024 9.585,1025 0.239,1026 14.602,1027 7.417,1028 11.298,1029 -0.514,1030 13.945,1031 0.796,1032 8.382,1033 10.723,1034 0.188,1035 16.681,1036 8.155,1037 12.725,1038 -0.815,1039 15.738,1040 -1.322,1041 9.646,1042 12.37,1043 0.156,1044 19.092,1045 9.404,1046 3.119,1047 -1.011,1048 17.546,1049 -2.416,1050 10.597,1051 13.709,1052 0.125,1053 21.314,1054 10.339,1055 2.755,1056 10.433,1057 19.366,1058 -2.731,1059 11.766,1060 15.263,1061 0.102,1062 23.67,1063 11.496,1064 2.534,1065 8.885,1066 21.194,1067 4.518,1068 12.805,1069 16.691,1070 0.082,1071 25.953,1072 12.524,1073 2.009,1074 7.026,1075 23.03,1076 3.732,1077 13.938,1078 18.211,1079 0.066,1080 28.291,1081 13.647,1082 1.774,1083 5.948,1084 24.871,1085 2.819,1086 15.019,1087 19.679,1088 0.054,1089 30.602,1090 14.718,1091 1.348,1092 4.654,1093 26.718,1094 2.606,1095 16.141,1096 21.187,1097 0.043,1098 32.936,1099 15.831,1100 1.214,1101 3.457,1102 28.568,1103 2.5,1104 17.243,1105 22.674,1106 0.035,1107 35.261,1108 16.924,1109 4525,1110 6477,1111 16.989,1112 28.512,1113 35.915,1114 35.876,1115 35.495,1116 35.897,1117 35.927,1118 47.142,1119 1.6,1120 101.086,1121 34.266,1122 5.519,1123 5.182,1124 6.196,1125 5.175,1126 5.119,1127 7.518,1128 1.2,1129 17.105,1130 5.071,1132 1.496,1133 1.495,1134 1.479,1135 1.496,1136 1.497,1137 1.964,1138 0.067,1139 4.212,1140 1.428,1141 4.147,1142 4.177,1143 4.253,1144 4.092,1145 4.971,1146 4.082,1147 3.851,1148 3.916,1149 4.032,1150 3.848,1151 4.659,1152 3.779,1153 3.81,1154 3.828,1155 3.71,1156 3.676,1157 4.34,1158 3.672,1159 3.427,1160 3.483,1161 3.325,1162 3.338,1163 4.194,1164 3.319,1165 3.219,1166 3.298,1167 3.074,1168 3.038,1169 3.841,1170 3.035,1171 2.905,1172 2.979,1173 2.77,1174 2.782,1175 3.601,1176 2.771,1177 2.869,1178 2.972,1179 2.682,1180 2.671,1181 3.228,1182 2.635,1183 2.631,1184 2.75,1185 2.583,1186 2.388,1187 3.209,1188 2.372,1189 0.19,1190 0.133,1191 0.274,1192 0.171,1193 0.13,1194 4.569,1195 0.188,1196 3.182,1197 0.033,1198 6.566,1199 0.435,1200 4.103,1201 0.128,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.071,1207 1.962,1208 1.945,1209 2.035,1210 2.023,1211 1.273,1212 2.031,1213 1.681,1214 1.623,1215 1.876,1216 1.877,1217 1.211,1218 1.882,1219 1.577,1220 1.507,1221 1.86,1222 1.751,1223 1.122,1224 1.793,1225 1.471,1226 1.43,1227 1.645,1228 1.668,1229 0.88,1230 1.665,1231 1.426,1232 1.358,1233 1.633,1234 1.57,1235 0.694,1236 1.597,1237 1.314,1238 1.314,1239 1.411,1240 1.383,1241 0.581,1242 1.432,1243 1.033,1244 0.953,1245 1.189,1246 1.18,1247 0.503,1248 1.257,1249 0.848,1250 0.786,1251 1.104,1252 1.024,1253 0.183,1254 1.063,1255 3.892,1257 5.198,1258 3.434,1259 6.683,1260 5.638,1261 8.255,1262 7.591,1263 9.878,1271 7.641,1276 2.585,1280 25.971,1281 56.162,1282 138.624,1283 178.54,1284 195.66,1285 195.66,1286 195.66,1287 20.707,1288 7.063,1289 19.03,1290 47.27,1291 21,1292 12.281,1293 4,1294 3.087,1295 28.045,1296 66,1297 61,1298 0.205,1299 161.014,1300 262.49,1301 384.635,1302 10579,1304 14.071,1305 0.67,1306 0.617,1307 14.424,1308 12.956,1309 10.399,1310 0.433,1311 0.36,1312 7.79,1313 9.736,1314 7.542,1315 6.214,1316 10.853,1317 8.642,1318 9.107,1319 0.276,1320 0.206,1321 9.69,1322 6.798,1323 8.089,1324 0.18,1325 0.12,1326 8.771,1327 5.388,1328 6.844,1329 0.116,1330 0.068,1331 7.489,1332 3.99,1333 4.629,1334 0.072,1335 0.035,1336 4.961,1337 2.21,1338 0.318,1339 68.002,1340 0.243,1341 20.884,1342 0.572,1343 114,1344 232.838,1345 140.085,1346 256.059,1347 365.73,1348 244,1349 135,1350 263.485,1351 157.869,1352 285.597,1353 419.84,1354 271,1355 7.721} {0 CHEMBL355202,1 1.367,2 10.276,3 3.629,4 13.167,5 115.664,6 7.102,7 0.5,8 4.099,9 4.221,10 3.658,11 3.709,12 5.071,13 3.671,14 4.696,15 4.866,16 4.084,17 4.18,18 5.607,19 4.122,20 5.029,21 5.239,22 4.194,23 4.383,24 5.884,25 4.291,26 5.152,27 5.373,28 4.142,29 4.438,30 6.01,31 4.315,32 5.222,33 5.487,34 3.992,35 4.386,36 6.021,37 4.22,38 5.078,39 5.361,40 3.813,41 4.223,42 5.831,43 4.053,44 4.882,45 5.147,46 3.677,47 4.047,48 5.694,49 3.89,50 4.708,51 4.983,52 3.575,53 3.856,54 5.551,55 3.721,56 0.045,57 0.781,58 11.624,59 5.058,60 7.178,61 6.899,62 0.226,63 1.413,64 22.63,65 8.831,66 20.857,67 12.336,68 0.296,69 1.875,70 33.18,71 12.713,72 25.536,73 17.854,74 0.341,75 2.058,76 38.277,77 14.867,78 39.563,79 20.569,80 0.399,81 2.14,82 42.706,83 16.473,84 50.051,85 23.414,86 0.278,87 1.825,88 37.463,89 14.495,90 40.94,91 20.752,92 0.231,93 1.509,94 30.371,95 11.707,96 34.454,97 16.55,98 0.216,99 1.259,100 25.907,101 9.658,102 32.391,103 13.684,104 2,105 51,106 0.224,107 0.542,108 0.702,109 0.793,110 0.828,111 0.84,112 3.409,113 0.937,114 -5.08,115 -4.97,116 -4.66,119 46.3,121 3,125 2,126 1,127 1,129 1,140 11,141 4,142 1,156 1,169 16,172 8,174 2,178 22,181 1,182 7,186 2,189 17,192 1,193 4,197 2,199 17,202 1,203 5,206 1,208 2,211 12,215 6,220 1,222 8,226 8,231 2,233 6,237 7,242 3,244 4,249 6,254 3,256 10,259 1118,260 20.308,261 20.308,262 20.308,263 20.308,264 20.308,265 18.21,266 24.521,267 11.667,268 20.548,269 16.768,270 16.768,271 16.768,272 16.768,273 16.768,274 13.61,275 36.766,276 5.448,277 17.153,278 4.388,279 2.448,280 1.475,281 0.919,282 0.704,283 0.63,284 4.137,288 1,289 1,290 691,291 2.739,294 119.042,295 274.115,298 185.933,299 102.998,300 117.311,302 1.596,303 18.339,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 60.5,315 298,316 4.718,317 4.169,318 7.992,319 4.621,320 3.653,321 4.588,322 1.964,323 15.227,324 3.536,325 4.676,326 3.541,327 6.999,328 4.306,329 3.316,330 3.867,331 0.916,332 11.971,333 3.287,334 3.901,335 3.046,336 6.18,337 3.627,338 2.673,339 3.367,340 0.846,341 9.035,342 2.552,343 3.828,344 2.89,345 6.008,346 3.499,347 2.521,348 3.127,349 0.311,350 8.207,351 2.462,352 3.473,353 2.467,354 5.203,355 3.078,356 2.081,357 2.857,358 0.172,359 6.244,360 2.074,361 3.292,362 2.248,363 5.186,364 2.973,365 1.992,366 2.444,368 5.973,369 1.946,370 3.073,371 2.133,372 4.904,373 2.676,374 1.679,375 2.225,377 4.641,378 1.66,379 2.884,380 1.818,381 4.482,382 2.603,383 1.64,384 1.935,386 4.051,387 1.576,388 2.771,389 1.371,390 4.247,391 2.285,392 1.287,393 1.886,395 3.403,396 1.284,397 2.557,398 1.324,399 3.802,400 2.148,401 1.155,402 1.577,404 2.808,405 1.146,406 2.5,407 1.257,408 3.755,409 2.043,410 1.063,411 1.5,413 2.579,414 1.037,415 2.358,416 1.137,417 3.525,418 2.011,419 1.032,420 1.315,422 2.546,423 1.008,424 2.176,425 1.077,426 3.503,427 2,428 1,429 1.152,431 2.372,432 1,433 2,434 1,435 3.34,436 1.984,437 1,438 1,440 2.136,441 0.983,442 1.366,443 0.715,444 3.247,445 1.152,446 0.182,447 0.199,449 0.46,450 0.176,451 14.033,452 0.484,453 0.669,454 0.023,455 37.25,456 1.284,457 18,458 0.621,459 19.25,460 0.664,461 26.284,462 0.906,463 29.767,464 0.551,465 26.189,466 0.903,467 7.06,468 0.243,469 7.201,470 0.248,471 0.024,472 0.036,473 0.306,479 0.759,480 1.224,481 0.8,482 0.988,483 0.542,484 0.908,485 0.905,486 1.051,487 0.933,488 0.928,489 0.564,490 0.921,491 1.073,492 1.049,493 1.014,494 0.991,495 0.865,496 0.989,497 1.317,498 1.091,499 1.18,500 1.111,501 1.369,502 1.132,503 0.949,504 1.016,505 1.065,506 1.057,507 1,508 1.071,509 0.878,510 0.907,511 0.947,512 0.944,513 0.855,514 0.95,515 1.085,516 1.044,517 1.038,518 1.052,519 1.186,520 1.045,521 1.19,522 0.916,523 0.877,524 0.865,525 1.301,526 0.849,527 5,528 0.119,529 4.444,530 2.958,531 1.651,532 0.847,533 0.523,534 0.441,535 0.338,536 0.198,537 11466,538 23913,539 2.268,540 46.3,542 16,543 2,545 1,547 2,548 4,550 1.72,551 2.189,552 3.32,553 -0.439,555 1,559 73.816,560 1.367,561 3.306,562 4.28,563 4.836,564 5.051,565 5.125,566 2.738,567 4.513,568 4.832,569 3.497,570 1419.71,571 8.418,572 18376.8,574 1,576 1,577 310.764,578 1.286,579 4.811,580 0.147,581 0.005,582 0.087,583 0.054,584 0.033,585 0.021,586 0.015,587 0.015,588 0.012,589 0.007,590 0.395,591 0.5,592 0.88,593 0.335,594 144.896,595 0.01,596 -0.106,597 0.082,598 0.004,600 0.041,601 0.069,602 0.072,603 -0.001,604 0.028,605 0.022,606 0.011,607 -0.017,608 0.002,609 -0.049,610 -0.028,611 -0.008,612 -0.037,613 -0.138,614 -0.085,615 -0.202,616 -0.14,617 -0.13,618 -0.172,619 0.034,620 -0.061,621 -0.067,622 -0.079,623 -0.012,624 -0.084,625 -0.005,626 0.026,627 0.056,628 0.041,629 0.004,630 0.054,631 -0.041,632 -0.097,633 -0.036,634 -0.071,635 -0.056,636 -0.056,637 -0.006,638 0.029,639 0.147,640 0.109,641 0.008,642 0.137,643 1.657,644 5.924,645 0.966,646 24.157,647 0.988,648 1.116,649 3.847,650 14.796,651 0.682,652 3.555,653 3.951,654 4.357,655 4.71,656 4.977,657 5.13,658 5.342,659 5.537,660 5.694,661 5.841,662 6.208,663 0.64,664 383.53,665 3.555,666 5.142,667 6.057,668 6.987,669 7.919,670 8.857,671 9.794,672 10.735,673 11.675,674 12.617,675 5.6,678 1,681 1,682 1,687 2,688 11,693 3,695 17,709 1,714 54,716 18,717 3,718 34,720 59,721 25,722 16,723 5,724 11,730 6,731 10,740 4,741 1,743 4,745 17,746 8,747 1,750 1,755 1,759 1,761 1,764 25,765 4,766 1,767 4,773 3,777 0.5,778 1,792 2,793 4,796 2,797 1,798 1,805 1,815 1,819 3,827 29,833 6,834 1,837 1,838 2,839 1,847 1.9,850 1,854 13.25,855 9.567,856 6.167,857 3.46,858 3.268,859 1.374,860 1.046,861 3.887,862 12,863 3.795,864 4.407,865 5.037,866 5.635,867 6.18,868 6.444,869 6.857,870 7.256,871 7.567,872 7.697,873 0.857,874 55,875 10.813,877 4.862,878 7.468,879 21.51,881 19.407,883 1.968,884 57.083,886 1,887 1,888 282.506,889 136.709,890 24.259,892 25.145,895 136.709,896 307.651,897 24.259,899 31.503,900 104.239,901 29.85,902 20.522,903 23.542,904 258.964,906 282.506,907 160.968,908 25.145,911 211.88,912 95.772,915 34.627,916 126.342,919 282.506,920 49.404,921 136.709,924 282.506,925 32.47,926 110.487,927 18.011,928 25.145,929 282.506,930 49.404,931 136.709,933 0.593,934 0.374,935 0.218,936 0.117,937 30,938 11,939 0.034,940 2,941 3,942 1.214,943 4.057,944 289.421,945 0.214,946 28,947 130.881,951 17.348,952 6.497,953 2.532,954 2.797,955 49.404,956 23.739,961 4.065,963 18.011,964 468.62,965 43.5,970 12.924,974 0.192,975 53.352,976 60.272,977 0.238,978 0.575,979 0.744,980 0.84,981 0.878,982 0.891,983 5.083,984 1.64,985 6.08,986 4.641,987 4.635,988 5.094,989 2.339,990 7.029,991 4.59,992 6.294,993 1.287,994 7.724,995 4.051,996 4.369,997 4.913,998 1.738,999 8.417,1000 4.294,1001 7.632,1002 1.155,1003 9.491,1004 3.403,1005 6.382,1006 7.294,1007 3.117,1008 11.584,1009 6.287,1010 9.011,1011 1.063,1012 11.337,1013 2.808,1014 7.031,1015 7.993,1016 3.168,1017 13.874,1018 6.903,1019 10.432,1020 1.032,1021 13.239,1022 2.579,1023 8.524,1024 9.853,1025 4.249,1026 16.663,1027 8.376,1028 11.882,1029 1,1030 15.18,1031 2.546,1032 9.555,1033 10.967,1034 4.594,1035 19.24,1036 9.376,1037 13.353,1038 1,1039 17.15,1040 2.372,1041 10.882,1042 12.619,1043 5.504,1044 21.955,1045 10.68,1046 3.653,1047 0.182,1048 19.141,1049 2.136,1050 12.062,1051 13.937,1052 5.998,1053 24.621,1054 11.83,1055 3.316,1056 15.227,1057 21.149,1058 0.46,1059 13.343,1060 15.503,1061 6.806,1062 27.327,1063 13.084,1064 2.673,1065 11.971,1066 23.171,1067 4.588,1068 14.58,1069 16.921,1070 7.38,1071 30.025,1072 14.29,1073 2.521,1074 9.035,1075 25.202,1076 3.867,1077 15.851,1078 18.453,1079 8.13,1080 32.734,1081 15.532,1082 2.081,1083 8.207,1084 27.241,1085 3.367,1086 17.111,1087 19.921,1088 8.749,1089 35.444,1090 16.761,1091 1.992,1092 6.244,1093 29.287,1094 3.127,1095 18.384,1096 21.441,1097 9.466,1098 38.158,1099 18.003,1100 1.679,1101 5.973,1102 31.338,1103 2.857,1104 19.655,1105 22.934,1106 10.109,1107 40.873,1108 19.242,1109 10228,1110 14852,1111 23.75,1112 36.847,1113 52.766,1114 53.647,1115 54.742,1116 52.541,1117 52.551,1118 66.08,1119 8.421,1120 163.305,1121 51.446,1122 5.718,1123 6.169,1124 7.794,1125 5.676,1126 5.653,1127 7.588,1128 3.439,1129 23.39,1130 5.536,1131 6.762,1132 1.552,1133 1.578,1134 1.61,1135 1.545,1136 1.546,1137 1.944,1138 0.248,1139 4.803,1140 1.513,1141 4.166,1142 4.19,1143 4.12,1144 4.122,1145 7.428,1146 4.119,1147 3.998,1148 4.04,1149 3.938,1150 3.881,1151 4.904,1152 3.887,1153 3.805,1154 3.847,1155 3.719,1156 3.704,1157 4.766,1158 3.703,1159 3.556,1160 3.621,1161 3.464,1162 3.387,1163 4.362,1164 3.392,1165 3.449,1166 3.492,1167 3.348,1168 3.37,1169 4.298,1170 3.362,1171 3.324,1172 3.388,1173 3.187,1174 3.159,1175 4.143,1176 3.163,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.909,1182 2.91,1183 2.922,1184 2.962,1185 2.843,1186 2.735,1187 3.674,1188 2.744,1189 0.139,1190 0.123,1191 0.235,1192 0.136,1193 0.107,1194 4.718,1195 0.135,1196 4.169,1197 0.058,1198 7.992,1199 0.448,1200 4.621,1201 0.104,1202 3.653,1203 4.588,1204 1.964,1205 15.227,1206 3.536,1207 2.052,1208 2.036,1209 2.127,1210 2.1,1211 1.426,1212 2.11,1213 1.918,1214 1.882,1215 2.053,1216 2.05,1217 1.298,1218 2.054,1219 1.816,1220 1.77,1221 1.979,1222 1.949,1223 1.128,1224 1.962,1225 1.615,1226 1.577,1227 1.787,1228 1.735,1229 1.055,1230 1.752,1231 1.328,1232 1.25,1233 1.569,1234 1.639,1235 0.825,1236 1.623,1237 1.266,1238 1.206,1239 1.513,1240 1.456,1241 0.752,1242 1.462,1243 1.153,1244 1.064,1245 1.485,1246 1.376,1247 0.606,1248 1.429,1249 1.095,1250 1.045,1251 1.307,1252 1.294,1253 0.519,1254 1.312,1255 4.234,1257 5.609,1258 3.045,1259 7.206,1260 5.533,1261 8.9,1262 7.751,1263 10.644,1271 5.333,1272 3.112,1275 0.433,1276 4.894,1277 -0.407,1280 34.574,1281 73.816,1282 178.551,1283 231.101,1284 261.154,1285 272.764,1286 276.764,1287 39.343,1288 8.732,1289 35.58,1290 35.58,1291 34,1292 13.111,1293 4.248,1294 3.392,1295 36.036,1296 112,1297 101,1298 0.163,1299 204.251,1300 352.23,1301 490.133,1302 82850,1304 19.424,1305 0.67,1306 0.568,1307 19.424,1308 16.474,1309 14.261,1310 0.419,1311 0.312,1312 10.529,1313 13.943,1314 10.321,1315 8.419,1316 14.261,1317 10.618,1318 13.076,1319 0.256,1320 0.168,1321 13.076,1322 8.578,1323 12.386,1324 0.161,1325 0.094,1326 12.386,1327 7.266,1328 11.178,1329 0.102,1330 0.053,1331 11.178,1332 5.78,1333 9.393,1334 0.065,1335 0.03,1336 9.393,1337 4.259,1338 0.253,1339 87.686,1340 0.205,1341 27.073,1342 0.461,1343 170,1344 367.359,1345 179.486,1346 364.734,1347 522.47,1348 346,1349 213,1350 402.312,1351 224.068,1352 410.525,1353 616.4,1354 391,1355 6.5} {0 CHEMBL355517,1 1.451,2 7.059,3 3.022,4 9.135,5 74.343,6 7.818,7 0.789,8 3.534,9 3.655,10 3.221,11 3.222,12 4.59,13 3.142,14 4.017,15 4.169,16 3.557,17 3.627,18 4.981,19 3.512,20 4.206,21 4.421,22 3.44,23 3.642,24 5.072,25 3.492,26 4.181,27 4.392,28 3.382,29 3.604,30 5.065,31 3.445,32 4.159,33 4.401,34 3.235,35 3.484,36 5.028,37 3.303,38 4.012,39 4.27,40 3.156,41 3.308,42 4.848,43 3.12,44 3.8,45 4.046,46 2.779,47 3.083,48 4.64,49 2.866,50 3.575,51 3.85,52 2.27,53 2.709,54 4.367,55 2.437,56 0.042,57 0.442,58 6.708,59 2.866,60 6.878,61 3.708,62 0.063,63 0.708,64 12.487,65 5.255,66 8.979,67 6.669,68 0.087,69 0.832,70 16.762,71 6.733,72 12.981,73 8.672,74 0.09,75 0.818,76 16.242,77 6.455,78 13.121,79 8.281,80 0.114,81 0.795,82 15.887,83 6.321,84 16.301,85 8.297,86 0.1,87 0.694,88 14.381,89 5.323,90 13.914,91 7.03,92 0.075,93 0.57,94 14.17,95 5.021,96 11.038,97 5.938,98 0.077,99 0.449,100 10.961,101 3.704,102 10.57,103 4.666,104 4,105 26,106 0.272,107 0.662,108 0.821,109 0.892,110 0.892,111 0.892,112 2.909,113 1.042,114 -3.62,115 -3.59,116 -3.42,119 45.2,121 1,125 1,140 5,141 3,149 2,150 2,161 1,162 1,163 1,169 7,176 4,178 10,180 1,186 4,189 10,191 1,197 2,199 9,201 1,207 1,208 1,210 1,211 5,213 1,220 4,222 3,224 2,231 2,233 1,235 1,242 2,246 2,254 1,258 1,259 278,260 11.939,261 11.939,262 11.939,263 11.939,264 11.939,265 10.251,266 3.388,267 7.212,268 12.214,269 9.368,270 9.368,271 9.368,272 9.368,273 9.368,274 6.83,275 1.471,276 3.338,277 9.813,278 3.503,279 1.42,280 0.568,281 0.194,282 0.194,283 0.194,284 3.588,287 1,288 1,289 1,290 261,291 2.121,294 73.449,295 37.296,298 59.499,302 1.017,303 6.795,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 35,315 120,316 4.568,317 3.175,318 6.565,319 4.102,320 3.118,321 4.518,323 10.43,324 3.069,325 4.129,326 2.78,327 6.095,328 3.699,329 2.752,330 3.731,332 8.884,333 2.603,334 3.43,335 2.194,336 5.128,337 3.017,338 2.039,339 2.81,341 5.994,342 1.988,343 3.249,344 1.785,345 4.514,346 2.722,347 1.777,348 2.591,350 4.654,351 1.666,352 2.744,353 1.39,354 4.129,355 2.302,356 1.321,357 1.851,359 3.445,360 1.294,361 2.426,362 1.164,363 3.364,364 2.04,365 1.089,366 1.399,368 2.234,369 1.031,370 2.239,371 0.911,372 3.245,373 1.83,374 0.875,375 1.168,377 1.892,378 0.825,379 2.118,380 0.638,381 3.017,382 1.511,383 0.618,384 0.927,386 1.372,387 0.529,388 1.931,389 0.618,390 3,391 1.459,392 0.557,393 0.759,395 1.188,396 0.504,397 0.946,398 -0.107,399 2.435,400 0.618,401 -0.338,402 -0.401,404 -0.62,405 -0.322,406 0.671,407 -0.687,408 2.127,409 0.253,410 -0.726,411 -0.948,413 -1.693,414 -0.708,415 0.427,416 -0.906,417 2,418 0.055,419 -0.926,420 -1.314,422 -2.672,423 -0.911,424 0.049,425 -1.27,426 1.779,427 -0.387,428 -1.34,429 -1.643,431 -3.035,432 -1.232,433 -0.088,434 -1.43,435 1.431,436 -0.52,437 -1.494,438 -2.01,440 -3.975,441 -1.326,442 -0.118,443 -1.618,444 1,445 -0.73,446 -1.618,447 -2.427,449 -4.372,450 -1.464,451 8.633,452 0.508,453 0.291,454 0.017,455 22.25,456 1.309,457 12,458 0.706,459 10.25,460 0.603,461 11.671,462 0.687,463 17.167,464 0.554,465 12.264,466 0.721,467 4.258,468 0.25,469 4.123,470 0.243,471 0.046,473 0.29,479 1.235,480 0.856,481 0.774,482 0.717,483 1.295,484 0.767,485 0.981,486 0.951,487 0.937,488 0.915,489 0.924,490 0.918,491 0.866,492 0.952,493 0.94,494 0.955,495 0.79,496 0.961,497 1.017,498 1.033,499 1.028,500 1.036,501 0.789,502 1.063,503 0.828,504 0.974,505 0.894,506 0.961,507 0.925,508 1.045,509 0.995,510 0.971,511 0.811,512 0.877,513 1.045,514 0.939,515 1.148,516 1.244,517 1.478,518 1.376,519 0.994,520 1.172,521 1.164,522 1.265,523 1.353,524 1.378,525 1.303,526 1.315,527 2.5,529 2,530 0.757,531 0.623,532 0.493,533 0.222,534 0.069,535 0.031,536 0.025,537 2363,538 5742,539 2.163,540 45.2,542 7,543 2,545 3,547 2,550 1.571,551 2.082,552 2.861,553 1.136,555 1,557 1,559 44.974,560 1.451,561 3.534,562 4.386,563 4.761,564 4.761,565 4.761,566 2.257,567 3.617,568 4.058,569 2.931,570 398.683,571 6.871,572 3525.01,573 1,574 1,576 1,577 153.58,578 1.166,579 4.043,580 0.132,582 0.077,583 0.033,584 0.03,585 0.029,586 0.016,587 0.007,588 0.008,589 0.012,590 0.343,591 0.83,592 1,593 0.962,594 69.358,595 -0.17,596 0.2,597 0.052,598 0.161,599 -0.231,600 0.114,601 -0.103,602 0.055,603 -0.014,604 0.037,605 -0.117,606 0.01,607 -0.043,608 -0.003,609 -0.027,610 -0.007,611 -0.004,612 0.005,613 -0.117,614 -0.069,615 -0.111,616 -0.094,617 -0.048,618 -0.11,619 0.104,620 -0.031,621 -0.019,622 -0.048,623 0.032,624 -0.084,625 0.05,626 -0.012,627 0.13,628 0.066,629 -0.008,630 0.032,631 -0.081,632 -0.248,633 -0.234,634 -0.251,635 0.02,636 -0.171,637 -0.074,638 -0.302,639 -0.23,640 -0.333,641 -0.142,642 -0.321,643 0.809,644 1.632,645 0.824,646 10.138,647 0.987,648 1.11,649 2.39,650 5.71,651 0.717,652 2.996,653 3.296,654 3.611,655 3.892,656 4.007,657 4.127,658 4.234,659 4.29,660 4.19,661 4.043,662 4.29,663 0.658,664 242.37,665 2.996,666 4.511,667 5.371,668 6.248,669 7.128,670 8.015,671 8.902,672 9.791,673 10.681,674 11.572,675 6.5,676 1,683 1,687 2,688 7,690 1,692 1,693 3,695 15,714 31,716 15,717 1,718 19,720 33,721 14,722 12,723 3,724 3,730 3,731 4,736 1,743 1,745 12,746 2,761 1,764 14,765 1,766 3,767 3,768 1,773 2,777 0.667,788 1,792 2,793 1,796 1,812 1,819 2,821 1,827 17,828 1,833 2,842 1,854 8.167,855 5.333,856 3.833,857 1.806,858 2.847,859 1.444,860 1.06,861 2.89,862 9.257,863 3.314,864 3.961,865 4.644,866 5.297,867 5.731,868 6.179,869 6.647,870 7.071,871 7.227,872 7.403,873 0.8,874 23,875 6.258,877 2.628,878 7.48,879 12.327,881 10.325,883 1.98,884 33.667,885 0.004,888 129.482,889 112.442,890 49.683,894 31.278,895 81.165,896 129.482,897 49.683,899 37.537,900 64.078,902 25.73,903 27.045,904 137.218,906 129.482,907 130.847,909 31.278,911 105.94,912 23.542,915 54.323,916 76.524,918 31.278,919 129.482,920 49.683,921 112.442,924 129.482,925 48.365,926 64.078,927 16.786,928 32.897,929 129.482,930 49.683,931 112.442,933 0.565,934 0.342,935 0.198,936 0.098,937 14,938 5,939 0.091,940 3,941 1,942 1.143,943 3.019,944 121.584,945 0.143,946 14,947 69.487,948 1,951 10.842,952 4.531,953 1.974,954 2.482,955 32.897,956 14.973,958 3.293,960 1.771,961 3.901,963 49.683,964 291.607,965 26.5,975 30.582,976 34.408,977 0.293,978 0.713,979 0.885,980 0.961,981 0.961,982 0.961,983 4.508,984 0.618,985 5.333,986 1.892,987 3.97,988 4.644,990 6.146,991 3.892,992 5.719,993 0.557,994 6.884,995 1.372,996 3.434,997 4.407,999 7.05,1000 3.353,1001 7.029,1002 -0.338,1003 8.542,1004 1.188,1005 5.549,1006 6.943,1008 10.169,1009 5.42,1010 8.388,1011 -0.726,1012 10.265,1013 -0.62,1014 5.943,1015 7.665,1017 11.941,1018 5.798,1019 9.784,1020 -0.926,1021 12.029,1022 -1.693,1023 7.444,1024 9.562,1026 14.536,1027 7.275,1028 11.207,1029 -1.34,1030 13.82,1031 -2.672,1032 8.245,1033 10.71,1035 16.637,1036 8.058,1037 12.649,1038 -1.494,1039 15.63,1040 -3.035,1041 9.51,1042 12.362,1044 19.058,1045 9.308,1046 3.118,1047 -1.618,1048 17.453,1049 -3.975,1050 10.491,1051 13.704,1053 21.291,1054 10.272,1055 2.752,1056 10.43,1057 19.286,1058 -4.372,1059 11.665,1060 15.26,1062 23.652,1063 11.432,1064 2.039,1065 8.884,1066 21.126,1067 4.518,1068 12.724,1069 16.69,1071 25.941,1072 12.477,1073 1.777,1074 5.994,1075 22.972,1076 3.731,1077 13.864,1078 18.21,1080 28.281,1081 13.605,1082 1.321,1083 4.654,1084 24.822,1085 2.81,1086 14.958,1087 19.679,1089 30.595,1090 14.686,1091 1.089,1092 3.445,1093 26.676,1094 2.591,1095 16.087,1096 21.186,1098 32.93,1099 15.803,1100 0.875,1101 2.234,1102 28.533,1103 1.851,1104 17.197,1105 22.673,1107 35.256,1108 16.902,1109 2315,1110 3679,1111 13.118,1112 22.228,1113 28.563,1114 28.285,1115 28.852,1116 28.215,1117 28.291,1118 39.51,1120 80.189,1121 27.018,1122 5.285,1123 5.175,1124 6.332,1125 5.174,1126 5.118,1127 7.518,1129 17.09,1130 5.069,1131 5.042,1132 1.503,1133 1.489,1134 1.519,1135 1.485,1136 1.489,1137 2.079,1139 4.22,1140 1.422,1141 4.143,1142 4.173,1143 4.252,1144 4.091,1145 5.031,1146 4.08,1147 3.821,1148 3.834,1149 4.03,1150 3.846,1151 4.941,1152 3.776,1153 3.521,1154 3.601,1155 3.391,1156 3.387,1157 4.658,1158 3.372,1159 3.277,1160 3.348,1161 3.163,1162 3.091,1163 4.196,1164 3.094,1165 2.936,1166 3.014,1167 2.805,1168 2.796,1169 3.79,1170 2.788,1171 2.641,1172 2.773,1173 2.682,1174 2.378,1175 3.429,1176 2.362,1177 2.489,1178 2.56,1179 2.369,1180 2.374,1181 3.224,1182 2.297,1183 2.356,1184 2.419,1185 2.348,1186 2.297,1187 3.083,1188 2.223,1189 0.24,1190 0.167,1191 0.346,1192 0.216,1193 0.164,1194 4.568,1195 0.238,1196 3.175,1198 6.565,1199 0.549,1200 4.102,1201 0.162,1202 3.118,1203 4.518,1205 10.43,1206 3.069,1207 1.961,1208 1.945,1209 2.035,1210 2.022,1211 1.246,1212 2.03,1213 1.653,1214 1.597,1215 1.855,1216 1.846,1217 1.046,1218 1.854,1219 1.47,1220 1.43,1221 1.64,1222 1.61,1223 0.694,1224 1.618,1225 1.344,1226 1.332,1227 1.521,1228 1.535,1229 0.584,1230 1.556,1231 1.218,1232 1.153,1233 1.248,1234 1.285,1235 0.532,1236 1.35,1237 0.872,1238 0.81,1239 1.108,1240 1.069,1241 0.185,1242 1.118,1243 0.689,1244 0.614,1245 1.037,1246 0.95,1247 0.094,1248 0.995,1249 0.48,1250 0.35,1251 0.836,1252 0.735,1254 0.787,1255 3.664,1257 4.963,1258 3.045,1259 6.46,1260 5.283,1261 8.053,1262 7.286,1263 9.7,1269 5.632,1271 1.615,1280 20.391,1281 44.974,1282 109.564,1283 135.97,1284 147.58,1285 147.58,1286 147.58,1287 16.63,1288 6.41,1289 41.81,1290 70.05,1291 16,1292 12.101,1293 4,1294 3.087,1295 23.676,1296 44,1297 45,1298 0.281,1299 130.038,1300 205.65,1301 309.053,1302 4205,1304 11.665,1305 0.686,1306 0.603,1307 12.018,1308 10.258,1309 8.381,1310 0.441,1311 0.347,1312 5.768,1313 7.778,1314 5.554,1315 4.609,1316 8.835,1317 6.602,1318 7.168,1319 0.276,1320 0.194,1321 7.751,1322 5.038,1323 6.328,1324 0.176,1325 0.108,1326 7.01,1327 3.906,1328 5.466,1329 0.114,1330 0.06,1331 6.111,1332 2.861,1333 3.902,1334 0.072,1335 0.03,1336 4.234,1337 1.639,1338 0.421,1339 55.637,1340 0.276,1341 16.906,1342 0.825,1343 90,1344 198.506,1345 114.697,1346 223.909,1347 317.47,1348 212,1349 107,1350 225.794,1351 127.871,1352 247.825,1353 363.24,1354 235,1355 8.77} {0 CHEMBL355910,1 1.548,2 16,3 2.798,4 7.83,5 171.442,6 7.103,7 0.255,8 4.515,9 4.641,10 4.024,11 4.012,12 5.621,13 3.986,14 5.08,15 5.264,16 4.386,17 4.426,18 6.204,19 4.375,20 5.37,21 5.572,22 4.562,23 4.655,24 6.388,25 4.593,26 5.561,27 5.76,28 4.662,29 4.754,30 6.71,31 4.688,32 5.656,33 5.874,34 4.636,35 4.796,36 6.75,37 4.71,38 5.676,39 5.924,40 4.554,41 4.786,42 6.714,43 4.661,44 5.694,45 5.973,46 4.357,47 4.691,48 6.621,49 4.542,50 5.525,51 5.801,52 4.283,53 4.523,54 6.479,55 4.386,56 0.155,57 1.223,58 18.473,59 7.832,60 15.482,61 10.656,62 0.57,63 1.945,64 35.195,65 13.074,66 80.017,67 18.441,68 0.442,69 2.487,70 47.766,71 17.542,72 69.88,73 24.611,74 0.892,75 2.817,76 59.639,77 20.765,78 142.853,79 28.372,80 1.052,81 3.021,82 66.9,83 22.016,84 166.467,85 31.012,86 0.966,87 3.12,88 68.121,89 22.67,90 154.722,91 33.604,92 1.043,93 2.957,94 72.174,95 22.016,96 161.591,97 33.307,98 0.938,99 2.491,100 60.782,101 19.137,102 122.771,103 28.476,104 96,105 66,106 0.232,107 0.549,108 0.732,109 0.801,110 0.83,111 0.834,112 3.81,113 0.958,114 -4.14,115 -4.08,116 -3.86,119 38.8,120 3,121 3,122 1,123 1,124 1,125 5,135 2,137 2,140 9,141 2,142 1,156 3,164 2,169 16,171 2,172 10,174 2,176 7,178 22,182 15,186 3,189 19,193 18,195 3,196 2,197 7,199 18,202 2,203 13,208 6,211 11,214 2,215 15,218 2,219 1,220 11,222 10,226 9,231 1,233 6,236 2,237 8,240 4,242 2,244 8,248 4,249 7,252 8,254 2,256 5,259 4252,260 29.412,261 29.412,262 29.412,263 29.412,264 29.412,265 26.722,266 44.139,267 17.244,268 29.945,269 22.973,270 22.973,271 22.973,272 22.973,273 22.973,274 18.829,275 56.077,276 7.842,277 23.577,278 4.862,279 2.755,280 1.536,281 1.074,282 0.883,283 0.859,284 4.497,290 1481,291 5.148,295 676.557,302 2.136,303 61.438,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 96.5,315 704,316 4.706,317 4.203,318 7.944,319 4.599,320 3.601,321 4.113,322 2.612,323 14.984,324 3.591,325 4.645,326 3.897,327 7.138,328 4.349,329 3.353,330 3.973,331 2.491,332 12.443,333 3.337,334 4.242,335 3.777,336 6.296,337 3.738,338 2.763,339 3.911,340 1.36,341 9.188,342 2.704,343 4.105,344 3.553,345 5.943,346 3.704,347 2.699,348 3.497,349 1.058,350 8.263,351 2.691,352 3.769,353 3.157,354 5.712,355 3.383,356 2.456,357 3.209,358 1.058,359 7.484,360 2.329,361 3.635,362 3.063,363 5.468,364 3.355,365 2.375,366 3.043,367 0.8,368 6.945,369 2.278,370 3.464,371 2.765,372 5.338,373 3.176,374 2.188,375 2.495,376 0.759,377 6.171,378 2.149,379 3.377,380 2.745,381 5.058,382 3.075,383 2.096,384 2.46,385 0.473,386 5.753,387 2.037,388 3.144,389 2.376,390 4.679,391 2.74,392 1.766,393 2.195,394 0.359,395 4.573,396 1.714,397 3.029,398 2.154,399 4.608,400 2.672,401 1.714,402 2.14,404 4.313,405 1.622,406 3.02,407 2.016,408 4.516,409 2.521,410 1.538,411 2.128,413 4.076,414 1.507,415 2.607,416 1.803,417 3.802,418 2.351,419 1.352,420 1.619,422 2.97,423 1.346,424 2.508,425 1.701,426 3.774,427 2.182,428 1.2,429 1.5,431 2.779,432 1.173,433 2.5,434 1.632,435 3.679,436 2.068,437 1.073,438 1.5,440 2.65,441 1.064,442 2.5,443 1.264,444 3.589,445 2,446 1,447 1.485,449 2.372,450 1,451 20.5,452 0.466,453 1.136,454 0.026,455 50.25,456 1.142,457 22.5,458 0.511,459 27.75,460 0.631,461 50.812,462 1.155,463 49.7,464 0.585,465 49.153,466 1.117,467 10.028,468 0.228,469 11.094,470 0.252,471 0.179,472 0.024,473 0.307,479 0.588,480 1.345,481 0.824,482 1.167,483 0.517,484 1.054,485 0.628,486 1.077,487 0.838,488 0.988,489 0.438,490 0.948,491 0.852,492 1.085,493 0.904,494 1.051,495 0.68,496 0.987,497 1.163,498 1.081,499 1.058,500 1.108,501 1.181,502 1.077,503 1.212,504 1.096,505 1.101,506 1.053,507 1.197,508 1.062,509 0.728,510 1.155,511 1.022,512 1.148,513 0.657,514 1.138,515 0.953,516 0.975,517 1.031,518 0.966,519 0.913,520 1,521 0.823,522 0.94,523 0.925,524 0.982,525 0.897,526 0.975,527 9,528 0.305,529 6.222,530 4.188,531 3.16,532 2.347,533 1.252,534 0.825,535 0.682,536 0.349,537 33627,538 93980,539 1.988,540 48.2,541 1,542 22,545 3,547 13,548 2,550 1.822,551 1.827,552 3.864,553 0.718,559 131.554,560 1.548,561 3.654,562 4.873,563 5.335,564 5.527,565 5.55,566 3.3,567 4.959,568 5.434,569 4.139,570 3915.96,571 9.616,572 75021.9,577 544.798,578 1.621,579 5.365,580 0.191,581 0.007,582 0.094,583 0.054,584 0.039,585 0.03,586 0.018,587 0.015,588 0.013,589 0.007,590 0.467,591 0.33,592 0.63,593 1.183,594 257.56,595 0.073,596 -0.056,597 0.045,598 -0.007,599 -0.007,600 0.007,601 0.142,602 0.079,603 0.083,604 0.087,605 0.157,606 0.08,607 -0.06,608 0.017,609 0.029,610 0.01,611 -0.001,612 0.039,613 -0.075,614 -0.037,615 -0.079,616 -0.076,617 -0.063,618 -0.082,619 -0.135,620 -0.086,621 -0.112,622 -0.047,623 -0.111,624 -0.075,625 0.049,626 -0.141,627 -0.064,628 -0.152,629 0.06,630 -0.134,631 -0.091,632 -0.038,633 -0.039,634 -0.02,635 -0.079,636 -0.017,637 0.048,638 -0.009,639 0.068,640 -0.029,641 -0.031,642 0.012,643 2.484,644 6.624,645 0.545,646 57.12,647 1.004,648 1.132,649 2.905,650 8.44,651 0.641,652 3.871,653 4.205,654 4.511,655 4.771,656 5.004,657 5.094,658 5.147,659 5.187,660 5.182,661 5.037,662 9.602,663 0.61,664 603.79,665 3.871,666 5.425,667 6.29,668 7.185,669 8.076,670 8.981,671 9.882,672 10.792,673 11.697,674 12.609,675 5.9,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 85,716 19,717 2,718 47,720 88,721 33,722 12,723 3,724 9,725 6,730 4,731 4,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 14,747 1,750 7,752 1,755 5,759 7,764 41,765 10,766 3,767 11,773 5,777 1,778 6,793 4,805 2,808 1,810 2,811 2,814 1,815 1,819 4,823 4,827 44,833 8,834 3,835 1,837 1,838 1,839 1,847 7.1,850 3,852 1,853 2,854 24.083,855 16.233,856 9.972,857 5.333,858 2.605,859 1.314,860 0.937,861 11.227,862 10.897,863 4.111,864 4.644,865 5.136,866 5.608,867 6.06,868 6.275,869 6.561,870 6.839,871 7.042,872 6.831,873 1,874 78,875 16.469,877 7.091,878 7.938,879 30.967,881 25.351,883 2.438,884 107.25,888 447.302,889 178.39,890 62.827,892 137.182,895 178.39,896 584.483,897 62.827,898 40.542,899 56.64,900 103.297,901 97.549,902 29.623,904 447.302,905 50.747,906 447.302,907 241.217,908 137.182,911 270.735,912 263.001,913 50.747,915 104.251,916 125.782,917 11.184,919 447.302,920 200.008,921 178.39,924 447.302,925 58.232,926 128.953,927 54.032,928 137.182,929 447.302,930 200.008,931 178.39,933 0.578,934 0.354,935 0.195,936 0.109,937 28,938 15,939 0.136,940 12,942 1,943 5.004,944 449.991,946 24,947 226.215,951 33.222,952 14.87,953 7.357,955 194.338,956 15.774,961 1.52,963 54.032,964 825.7,965 60,967 -0.484,970 62.089,974 1.18,975 85.378,976 96.222,977 0.241,978 0.57,979 0.76,980 0.832,981 0.862,982 0.866,983 5.375,984 2.096,985 6.304,986 6.171,987 4.89,988 5.333,989 3.49,990 7.198,991 4.851,992 6.583,993 1.766,994 7.926,995 5.753,996 4.635,997 5.223,998 3.058,999 8.523,1000 4.602,1001 7.913,1002 1.714,1003 9.668,1004 4.573,1005 6.581,1006 7.454,1007 4.819,1008 11.656,1009 6.519,1010 9.281,1011 1.538,1012 11.489,1013 4.313,1014 7.194,1015 8.149,1016 5.149,1017 13.898,1018 7.149,1019 10.687,1020 1.352,1021 13.366,1022 4.076,1023 8.647,1024 9.891,1025 6.502,1026 16.664,1027 8.585,1028 12.119,1029 1.2,1030 15.284,1031 2.97,1032 9.636,1033 10.935,1034 7.134,1035 19.211,1036 9.587,1037 13.571,1038 1.073,1039 17.232,1040 2.779,1041 10.934,1042 12.487,1043 8.299,1044 21.903,1045 10.877,1046 3.601,1047 1,1048 19.204,1049 2.65,1050 12.08,1051 13.695,1052 9.072,1053 24.545,1054 12.031,1055 3.353,1056 14.984,1057 21.195,1058 2.372,1059 13.336,1060 15.163,1061 10.14,1062 27.228,1063 13.283,1064 2.763,1065 12.443,1066 23.201,1067 4.113,1068 14.547,1069 16.454,1070 10.987,1071 29.903,1072 14.497,1073 2.699,1074 9.188,1075 25.218,1076 3.973,1077 15.797,1078 17.882,1079 12.003,1080 32.591,1081 15.745,1082 2.456,1083 8.263,1084 27.244,1085 3.911,1086 17.036,1087 19.217,1088 12.891,1089 35.278,1090 16.983,1091 2.375,1092 7.484,1093 29.277,1094 3.497,1095 18.289,1096 20.627,1097 13.877,1098 37.971,1099 18.235,1100 2.188,1101 6.945,1102 31.317,1103 3.209,1104 19.541,1105 21.986,1106 14.789,1107 40.665,1108 19.485,1109 32691,1110 54916,1111 30.224,1112 54.461,1113 70.385,1114 73.714,1115 75.326,1116 69.655,1117 69.71,1118 86.823,1119 21.941,1120 204.941,1121 68.269,1122 5.706,1123 6.203,1124 7.746,1125 5.641,1126 5.601,1127 7.113,1128 4.612,1129 22.802,1130 5.591,1131 28.179,1132 1.498,1133 1.568,1134 1.603,1135 1.482,1136 1.483,1137 1.847,1138 0.467,1139 4.36,1140 1.453,1141 4.073,1142 4.102,1143 4.026,1144 3.98,1145 7.815,1146 3.985,1147 3.996,1148 4.027,1149 3.932,1150 3.918,1151 7.434,1152 3.917,1153 3.873,1154 3.904,1155 3.838,1156 3.719,1157 7.429,1158 3.735,1159 3.767,1160 3.823,1161 3.659,1162 3.634,1163 7.426,1164 3.632,1165 3.633,1166 3.685,1167 3.542,1168 3.454,1169 6.999,1170 3.461,1171 3.541,1172 3.591,1173 3.447,1174 3.338,1175 4.763,1176 3.35,1177 3.489,1178 3.558,1179 3.424,1180 3.274,1181 4.719,1182 3.269,1183 3.458,1184 3.489,1185 3.319,1186 3.094,1187 4.53,1188 3.156,1189 0.1,1190 0.089,1191 0.169,1192 0.098,1193 0.077,1194 4.706,1195 0.088,1196 4.203,1197 0.056,1198 7.944,1199 0.319,1200 4.599,1201 0.076,1202 3.601,1203 4.113,1204 2.612,1205 14.984,1206 3.591,1207 1.997,1208 1.975,1209 2.109,1210 2.118,1211 1.452,1212 2.103,1213 1.978,1214 1.95,1215 2.083,1216 2.09,1217 1.311,1218 2.095,1219 1.798,1220 1.766,1221 1.953,1222 1.993,1223 1.2,1224 1.958,1225 1.754,1226 1.7,1227 1.906,1228 1.914,1229 1.016,1230 1.925,1231 1.595,1232 1.539,1233 1.831,1234 1.803,1235 1.001,1236 1.81,1237 1.482,1238 1.426,1239 1.795,1240 1.742,1241 0.937,1242 1.753,1243 1.452,1244 1.387,1245 1.706,1246 1.699,1247 0.825,1248 1.706,1249 1.304,1250 1.214,1251 1.641,1252 1.631,1253 0.783,1254 1.581,1255 4.554,1257 5.883,1259 7.426,1261 9.072,1263 10.778,1265 6.908,1271 4.984,1272 8.844,1273 5.486,1275 -0.701,1276 2.3,1277 -0.652,1280 51.878,1281 131.554,1282 310.593,1283 414.23,1284 453.514,1285 469.779,1286 471.779,1287 150.48,1288 8.291,1289 145.59,1290 145.59,1291 24,1292 13.124,1293 4.322,1294 3.807,1295 85.44,1296 258,1297 232,1298 0.158,1299 320.564,1300 584.28,1301 773.937,1302 53313,1304 31.855,1305 0.724,1306 0.586,1307 31.855,1308 25.774,1309 21.122,1310 0.449,1311 0.319,1312 14.796,1313 20.199,1314 14.355,1315 11.927,1316 21.122,1317 15.008,1318 18.69,1319 0.283,1320 0.169,1321 18.69,1322 11.183,1323 15.888,1324 0.177,1325 0.095,1326 15.888,1327 8.553,1328 13.191,1329 0.113,1330 0.053,1331 13.191,1332 6.248,1333 10.349,1334 0.07,1335 0.03,1336 10.349,1337 4.493,1338 0.255,1339 133.305,1340 0.182,1341 38.979,1342 0.417,1343 226,1344 700.702,1345 249.717,1346 665.21,1347 883.27,1348 616,1349 269,1350 633.193,1351 291.947,1352 633.355,1353 924.3,1354 594,1355 5.252} {0 CHEMBL356277,1 1.577,2 19.3,3 2.938,4 8.632,5 153.076,6 7.509,7 0.591,8 4.381,9 4.507,10 3.941,11 3.892,12 5.521,13 3.887,14 4.888,15 5.044,16 4.282,17 4.28,18 6.002,19 4.25,20 5.138,21 5.336,22 4.309,23 4.386,24 6.25,25 4.324,26 5.146,27 5.36,28 4.234,29 4.375,30 6.164,31 4.292,32 5.158,33 5.384,34 4.225,35 4.284,36 6.28,37 4.208,38 5.105,39 5.329,40 4.078,41 4.161,42 6.206,43 4.102,44 4.955,45 5.18,46 4.026,47 4.098,48 6.049,49 4.028,50 4.891,51 5.109,52 4.033,53 4.093,54 6.023,55 4.024,56 0.108,57 1.078,58 14.76,59 6.096,60 17.123,61 7.926,62 0.319,63 1.655,64 26.55,65 10.538,66 38.425,67 13.902,68 0.783,69 1.955,70 37.521,71 13.081,72 84.897,73 17.745,74 0.366,75 1.966,76 37.492,77 13.882,78 46.227,79 19.15,80 0.522,81 1.884,82 39.432,83 13.958,84 73.863,85 19.215,86 0.722,87 1.712,88 39.099,89 11.748,90 90.413,91 15.689,92 0.639,93 1.541,94 32.774,95 10.749,96 65.962,97 14.89,98 0.569,99 1.489,100 29.975,101 10.543,102 59.092,103 14.514,104 25,105 60,106 0.242,107 0.578,108 0.702,109 0.743,110 0.743,111 0.743,112 3.717,113 0.892,114 -2.44,115 -2.47,116 -2.42,119 41.7,121 2,125 4,140 10,141 4,142 4,149 2,150 2,156 2,161 2,162 2,163 2,169 10,172 4,174 2,176 12,178 10,180 2,181 2,182 4,184 2,186 12,189 10,191 2,193 6,197 2,199 4,201 2,203 14,206 2,207 3,208 6,210 2,211 2,213 2,215 8,220 6,224 2,226 2,228 2,229 4,231 4,233 8,235 2,237 2,240 4,241 2,242 2,244 16,248 1,256 12,259 3504,260 27.496,261 27.496,262 27.496,263 27.496,264 27.496,265 24.204,266 28.386,267 16.501,268 27.937,269 21.693,270 21.693,271 21.693,272 21.693,273 21.693,274 16.521,275 31.791,276 7.737,277 22.398,278 4.593,279 2.406,280 1.6,281 1.333,282 1.333,283 1.333,284 4.423,290 1688,291 4.583,294 241.822,295 417.879,298 421.303,302 3.17,303 41.211,306 0.5,307 0.33,308 0.5,309 0.4,310 0.5,311 0.33,313 0.37,314 87,315 772,316 4.55,317 3.625,318 6.546,319 4.076,320 3.092,321 4.504,322 2.03,323 10.36,324 3.043,325 4.55,326 3.618,327 6.546,328 4.076,329 3.092,330 4.504,331 2.03,332 10.36,333 3.043,334 4.085,335 3.181,336 5.597,337 3.705,338 2.731,339 3.661,340 0.892,341 7.707,342 2.656,343 3.808,344 3.181,345 5.401,346 3.497,347 2.529,348 3.15,349 0.892,350 7.142,351 2.441,352 3.735,353 2.749,354 5.325,355 3.352,356 2.406,357 3.138,358 0.141,359 6.891,360 2.275,361 3.67,362 2.732,363 5.287,364 3.284,365 2.329,366 2.994,367 0.141,368 6.797,369 2.218,370 3.501,371 2.655,372 5.101,373 3.12,374 2.108,375 2.727,377 5.932,378 2.119,379 3.347,380 2.243,381 5.096,382 2.947,383 1.976,384 2.674,386 5.918,387 1.909,388 3.337,389 2.158,390 4.833,391 2.921,392 1.948,393 2.652,395 5.538,396 1.885,397 3.223,398 2.156,399 4.662,400 2.815,401 1.817,402 2.421,404 5.056,405 1.801,406 2.743,407 1.476,408 4.155,409 2.303,410 1.324,411 1.846,413 3.507,414 1.295,415 2.742,416 1.476,417 4.155,418 2.303,419 1.323,420 1.845,422 3.504,423 1.295,424 2.5,425 1.379,426 3.414,427 2.025,428 1.078,429 1.5,431 2.275,432 1.017,433 2.337,434 1.379,435 3.356,436 2.023,437 1.076,438 1.298,440 2.154,441 1.016,442 2.336,443 1.133,444 3.346,445 2,446 1,447 1.296,449 2.14,450 1,451 18.733,452 0.468,453 0.827,454 0.021,455 53,456 1.325,457 27,458 0.675,459 26,460 0.65,461 32.917,462 0.823,463 43.067,464 0.598,465 44.487,466 1.112,467 10.809,468 0.27,469 8.707,470 0.218,471 0.078,473 0.32,479 0.924,480 1.167,481 0.82,482 0.979,483 0.757,484 0.879,485 0.935,486 1.18,487 0.904,488 1.082,489 0.685,490 1.004,491 1.051,492 0.972,493 1.034,494 0.961,495 1.037,496 0.989,497 0.913,498 1.142,499 1.012,500 1.169,501 0.701,502 1.116,503 0.937,504 1.091,505 0.926,506 1.173,507 1.046,508 1.076,509 1.763,510 0.969,511 1.181,512 0.929,513 1.604,514 0.956,515 1.136,516 0.953,517 0.983,518 0.932,519 0.988,520 0.938,521 0.892,522 0.902,523 0.907,524 0.958,525 1.118,526 0.947,527 8,528 0.179,529 4,530 2.208,531 2.169,532 0.973,533 0.798,534 0.578,535 0.305,536 0.376,537 34256,538 88109,539 2.107,540 44.4,542 18,543 2,545 8,547 4,550 1.791,551 2,552 4.176,553 4.593,559 113.518,560 1.577,561 3.764,562 4.57,563 4.837,564 4.837,565 4.837,566 3.584,567 3.984,568 5.295,569 4.405,570 3436.2,571 9.29,572 67554.8,577 444.235,578 1.295,579 5.266,580 0.182,581 0.004,582 0.067,583 0.037,584 0.04,585 0.019,586 0.018,587 0.013,588 0.007,589 0.009,590 0.398,591 0.17,592 0.5,593 0.897,594 235.103,595 -0.122,596 0.052,597 0.019,598 0.066,599 -0.117,600 0.077,601 -0.014,602 -0.072,603 -0.01,604 -0.042,605 -0.001,606 -0.029,607 0.034,608 0.054,609 -0.067,610 0.036,611 -0.032,612 -0.02,613 -0.061,614 -0.14,615 -0.064,616 -0.151,617 0.003,618 -0.111,619 0.103,620 -0.138,621 0.069,622 -0.177,623 0.081,624 -0.081,625 -0.291,626 -0.029,627 -0.123,628 0.018,629 -0.204,630 -0.017,631 0.024,632 0.013,633 0.029,634 0.044,635 0.04,636 0.034,637 0.138,638 0.086,639 0.077,640 0.037,641 0.034,642 0.039,643 1.962,644 5.42,645 0.6,646 60.46,647 1.006,648 1.128,649 1.21,650 1.464,651 0.663,652 3.807,653 4.111,654 4.369,655 4.635,656 4.828,657 4.86,658 4.977,659 5.056,660 4.99,661 5.03,662 11.12,663 0.637,664 540.68,665 3.807,666 5.342,667 6.184,668 7.054,669 7.913,670 8.786,671 9.654,672 10.528,673 11.399,674 12.275,675 8.3,676 2,682 2,683 2,687 4,688 12,690 2,693 6,695 26,712 2,714 72,716 28,717 3,718 44,720 76,721 30,722 22,723 8,724 10,730 5,731 7,736 2,743 2,745 24,746 6,750 2,755 2,759 2,764 32,765 8,766 8,767 10,773 6,777 0.6,778 4,788 2,792 2,793 3,796 2,805 2,812 2,819 3,827 40,828 2,833 6,834 2,835 2,847 5.6,850 2,852 2,854 20,855 12.333,856 8.944,857 4.069,858 4.948,859 1.569,860 1.019,861 9.031,862 13.639,863 4.094,864 4.71,865 5.306,866 5.925,867 6.432,868 6.696,869 7.06,870 7.389,871 7.258,872 7.363,873 0.923,874 59,875 14.791,877 6.287,878 7.8,879 28.034,881 22.868,883 2.3,884 92,888 282.506,889 172.538,890 135.387,892 72.29,895 172.538,896 354.796,897 135.387,899 120.281,900 112.857,901 59.699,902 83.088,903 27.83,904 258.964,906 282.506,907 307.924,908 72.29,911 235.422,912 119.374,915 153.852,916 154.072,919 282.506,920 207.677,921 172.538,924 282.506,925 59.68,926 112.857,927 69.593,928 138.084,929 282.506,930 207.677,931 172.538,933 0.57,934 0.33,935 0.185,936 0.104,937 27,938 12,939 0.158,940 12,941 2,942 1.167,943 5.271,944 371.162,945 0.167,946 24,947 168.877,951 27.738,952 13.023,953 7.045,954 4.053,955 174.106,956 21.986,958 6.421,961 4.599,963 135.387,964 662.721,965 59,970 24.84,974 -0.592,975 72.407,976 81.225,977 0.256,978 0.61,979 0.741,980 0.784,981 0.784,982 0.784,983 5.316,984 1.976,985 6.151,986 5.932,987 4.796,988 5.398,989 2.912,990 6.929,991 4.736,992 6.52,993 1.948,994 7.684,995 5.918,996 4.29,997 5.231,998 2.179,999 7.743,1000 4.236,1001 7.826,1002 1.817,1003 9.313,1004 5.538,1005 6.358,1006 7.646,1007 3.94,1008 10.825,1009 6.249,1010 9.169,1011 1.324,1012 10.999,1013 5.056,1014 6.686,1015 8.346,1016 3.874,1017 12.502,1018 6.58,1019 10.545,1020 1.323,1021 12.723,1022 3.507,1023 8.189,1024 10.221,1025 5.181,1026 15.088,1027 8.042,1028 11.944,1029 1.078,1030 14.475,1031 3.504,1032 8.916,1033 11.338,1034 5.439,1035 17.144,1036 8.768,1037 13.363,1038 1.076,1039 16.249,1040 2.275,1041 10.185,1042 12.994,1043 6.505,1044 19.564,1045 10.009,1046 3.092,1047 1,1048 18.04,1049 2.154,1050 11.112,1051 14.317,1052 6.94,1053 21.786,1054 10.931,1055 3.092,1056 10.36,1057 19.845,1058 2.14,1059 12.284,1060 15.881,1061 7.867,1062 24.149,1063 12.083,1064 2.731,1065 10.36,1066 21.662,1067 4.504,1068 13.31,1069 17.301,1070 8.406,1071 26.439,1072 13.1,1073 2.529,1074 7.707,1075 23.489,1076 4.504,1077 14.444,1078 18.828,1079 9.25,1080 28.784,1081 14.218,1082 2.406,1083 7.142,1084 25.325,1085 3.661,1086 15.518,1087 20.293,1088 9.853,1089 31.102,1090 15.28,1091 2.329,1092 6.891,1093 27.169,1094 3.15,1095 16.64,1096 21.805,1097 10.645,1098 33.442,1099 16.387,1100 2.108,1101 6.797,1102 29.018,1103 3.138,1104 17.738,1105 23.29,1106 11.288,1107 35.771,1108 17.472,1109 31820,1110 51238,1111 29.819,1112 47.75,1113 65.327,1114 67.113,1115 66.814,1116 64.798,1117 64.916,1118 86.818,1119 12.254,1120 181.993,1121 62.866,1122 5.457,1123 5.625,1124 6.313,1125 5.165,1126 5.092,1127 7.504,1128 3.634,1129 17.015,1130 5.043,1131 18.349,1132 1.485,1133 1.525,1134 1.518,1135 1.473,1136 1.475,1137 1.973,1138 0.278,1139 4.136,1140 1.429,1141 4.149,1142 4.182,1143 4.107,1144 4.061,1145 7.431,1146 4.068,1147 4.112,1148 4.143,1149 4.072,1150 4.027,1151 7.427,1152 4.035,1153 3.932,1154 3.967,1155 3.876,1156 3.841,1157 5.054,1158 3.844,1159 3.634,1160 3.669,1161 3.565,1162 3.44,1163 5.021,1164 3.453,1165 3.589,1166 3.639,1167 3.498,1168 3.431,1169 4.959,1170 3.435,1171 3.518,1172 3.588,1173 3.396,1174 3.31,1175 4.953,1176 3.334,1177 3.477,1178 3.531,1179 3.349,1180 3.25,1181 4.762,1182 3.273,1183 3.318,1184 3.387,1185 3.198,1186 3.094,1187 4.562,1188 3.108,1189 0.103,1190 0.082,1191 0.149,1192 0.093,1193 0.07,1194 4.55,1195 0.102,1196 3.625,1197 0.046,1198 6.546,1199 0.235,1200 4.076,1201 0.069,1202 3.092,1203 4.504,1204 2.03,1205 10.36,1206 3.043,1207 1.937,1208 1.919,1209 2.023,1210 2.039,1211 1.225,1212 2.032,1213 1.936,1214 1.918,1215 2.02,1216 2.025,1217 1.225,1218 2.023,1219 1.896,1220 1.866,1221 1.999,1222 2.001,1223 1.087,1224 2.002,1225 1.649,1226 1.591,1227 1.852,1228 1.846,1229 1.017,1230 1.854,1231 1.649,1232 1.591,1233 1.851,1234 1.846,1235 1.016,1236 1.854,1237 1.464,1238 1.429,1239 1.63,1240 1.745,1241 0.753,1242 1.707,1243 1.386,1244 1.355,1245 1.58,1246 1.652,1247 0.722,1248 1.629,1249 1.278,1250 1.191,1251 1.517,1252 1.563,1253 0.555,1254 1.557,1255 4.489,1257 5.796,1258 3.045,1259 7.284,1260 5.416,1261 8.858,1262 7.516,1263 10.481,1269 11.37,1271 2.347,1272 5.589,1273 11.385,1280 45.836,1281 113.518,1282 270.976,1283 329.015,1284 348.235,1285 348.235,1286 348.235,1287 76.815,1288 8.691,1289 160.28,1290 160.28,1291 28,1292 12.815,1293 4.858,1294 4,1295 64.634,1296 276,1297 237,1298 0.111,1299 280.268,1300 478.1,1301 675.615,1302 105852,1304 27.899,1305 0.697,1306 0.549,1307 27.899,1308 21.959,1309 19.517,1310 0.444,1311 0.297,1312 12.885,1313 18.763,1314 12.661,1315 10.474,1316 19.517,1317 13.077,1318 17.181,1319 0.286,1320 0.156,1321 17.181,1322 9.371,1323 14.233,1324 0.182,1325 0.083,1326 14.233,1327 6.497,1328 11.974,1329 0.117,1330 0.045,1331 11.974,1332 4.548,1333 9.731,1334 0.078,1335 0.024,1336 9.731,1337 2.98,1338 0.186,1339 122.503,1340 0.183,1341 37.417,1342 0.274,1343 208,1344 608.898,1345 228.451,1346 586.037,1347 801.3,1348 550,1349 242,1350 587.478,1351 261.622,1352 593.481,1353 864.56,1354 560,1355 9.959} {0 CHEMBL356315,1 1.428,2 15.059,3 3.146,4 9.898,5 138.038,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.304,13 3.787,14 4.874,15 5.07,16 4.137,17 4.253,18 5.777,19 4.184,20 5.179,21 5.423,22 4.141,23 4.415,24 6.002,25 4.292,26 5.276,27 5.545,28 4.105,29 4.452,30 6.045,31 4.302,32 5.304,33 5.581,34 4.091,35 4.442,36 6.066,37 4.284,38 5.292,39 5.569,40 4.04,41 4.405,42 6.069,43 4.246,44 5.246,45 5.537,46 3.919,47 4.316,48 5.989,49 4.136,50 5.112,51 5.426,52 3.705,53 4.148,54 5.767,55 3.962,56 0.103,57 1.046,58 15.933,59 6.109,60 15.156,61 8.832,62 0.264,63 1.705,64 29.151,65 10.29,66 25.159,67 15.286,68 0.397,69 2.068,70 40.578,71 14.227,72 42.849,73 21.288,74 0.378,75 2.194,76 44.961,77 15.968,78 44.216,79 23.995,80 0.371,81 2.174,82 46.488,83 16.869,84 46.512,85 25.053,86 0.437,87 2.132,88 46.276,89 16.073,90 49.092,91 24.01,92 0.474,93 2.013,94 44.386,95 15.259,96 49.522,97 23.14,98 0.401,99 1.747,100 39.116,101 12.559,102 34.933,103 19.739,104 6,105 52,106 0.224,107 0.573,108 0.768,109 0.834,110 0.853,111 0.853,112 3.56,113 0.974,114 -4.79,115 -4.7,116 -4.41,119 39.7,120 1,121 4,125 3,127 3,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 7,178 12,182 3,185 1,186 7,189 9,193 6,195 1,197 5,199 9,203 6,206 1,208 5,211 12,215 5,218 1,220 2,222 8,226 6,229 3,231 1,233 4,236 1,237 5,242 3,244 3,249 1,254 2,256 6,259 2082,260 23.499,261 23.499,262 23.499,263 23.499,264 23.499,265 21.085,266 29.569,267 14.075,268 23.943,269 18.797,270 18.797,271 18.797,272 18.797,273 18.797,274 15.249,275 40.89,276 6.701,277 19.53,278 4.66,279 2.441,280 1.195,281 0.78,282 0.658,283 0.658,284 4.27,289 1,290 1135,291 3.742,294 187.823,295 357.042,298 160.853,302 2.294,303 19.47,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 512,316 4.568,317 3.292,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.145,326 3.196,327 6.423,328 3.954,329 2.983,330 3.731,331 0.657,332 9.843,333 2.895,334 4.129,335 2.895,336 6.095,337 3.69,338 2.753,339 3.573,341 8.884,342 2.578,343 3.65,344 2.863,345 5.48,346 3.565,347 2.615,348 2.813,350 7.347,351 2.487,352 3.437,353 2.394,354 5.151,355 3.157,356 2.201,357 2.698,359 6.375,360 2.101,361 3.38,362 2.243,363 5.111,364 3.034,365 2.059,366 2.593,368 5.995,369 2.004,370 3.249,371 2.178,372 4.898,373 2.972,374 2.006,375 2.508,377 5.302,378 1.925,379 3.115,380 1.795,381 4.514,382 2.73,383 1.776,384 2.136,386 4.655,387 1.69,388 2.769,389 1.59,390 4.134,391 2.398,392 1.417,393 1.85,395 3.482,396 1.385,397 2.742,398 1.37,399 3.719,400 2.314,401 1.329,402 1.844,404 3.062,405 1.308,406 2.5,407 1.175,408 3.486,409 2.095,410 1.131,411 1.5,413 2.558,414 1.087,415 2.428,416 1.077,417 3.414,418 2,419 1,420 1.403,422 2.275,423 1,424 2.262,425 1,426 3.353,427 1.984,428 1,429 1.205,431 2.136,432 0.983,433 2.118,434 0.99,435 3.299,436 1.865,437 0.902,438 1,440 2.115,441 0.867,442 2.004,443 0.904,444 3.247,445 1.694,446 0.749,447 0.927,449 1.878,450 0.704,451 16.233,452 0.477,453 0.674,454 0.02,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 33.645,462 0.99,463 37.167,464 0.547,465 28.552,466 0.84,467 7.65,468 0.225,469 9.02,470 0.265,471 0.051,473 0.296,479 0.963,480 1.363,481 0.898,482 1.12,483 0.92,484 1.022,485 1.07,486 1.152,487 1.021,488 1.057,489 0.811,490 1.032,491 1.069,492 1.052,493 1.062,494 1.043,495 0.995,496 1.053,497 0.863,498 0.997,499 1.016,500 1.051,501 0.736,502 1.048,503 0.839,504 1.002,505 0.933,506 1.045,507 0.962,508 1.012,509 1.086,510 0.984,511 1.013,512 1.021,513 1.242,514 1.019,515 0.846,516 1.001,517 0.974,518 1.023,519 0.988,520 1.022,521 0.853,522 0.816,523 0.956,524 0.856,525 0.61,526 0.898,527 5.5,528 0.095,529 3.556,530 1.569,531 1.517,532 1.021,533 0.566,534 0.36,535 0.233,536 0.168,537 20618,538 45784,539 2.163,540 50,541 2,542 17,543 1,544 2,545 3,547 5,548 4,550 1.753,551 2.082,552 3.83,553 0.782,559 97.082,560 1.428,561 3.646,562 4.892,563 5.308,564 5.429,565 5.429,566 3.248,567 4.396,568 5.063,569 4.062,570 2278.78,571 8.835,572 37584.2,577 413.947,578 1.166,579 5.043,580 0.145,581 0.004,582 0.068,583 0.031,584 0.032,585 0.022,586 0.013,587 0.01,588 0.008,589 0.006,590 0.339,591 0.17,592 0.88,593 0.54,594 187.18,595 0.02,596 -0.108,597 0.064,598 -0.012,599 -0.017,600 0.02,601 -0.047,602 0.014,603 -0.043,604 -0.019,605 0.006,606 -0.029,607 -0.07,608 -0.024,609 -0.083,610 -0.03,611 -0.016,612 -0.054,613 -0.03,614 -0.016,615 -0.047,616 -0.049,617 0.029,618 -0.048,619 0.035,620 -0.072,621 0.038,622 -0.037,623 0.037,624 -0.005,625 -0.048,626 -0.051,627 -0.026,628 -0.032,629 -0.068,630 -0.03,631 0.078,632 -0.086,633 0.008,634 -0.047,635 -0.028,636 -0.035,637 -0.035,638 0.105,639 0.029,640 0.08,641 -0.027,642 0.068,643 1.748,644 4.318,645 0.765,646 40.426,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.97,654 4.248,655 4.5,656 4.673,657 4.727,658 4.86,659 4.99,660 5.011,661 5.024,662 8.957,663 0.606,664 458.67,665 3.664,666 5.198,667 6.047,668 6.915,669 7.779,670 8.65,671 9.52,672 10.394,673 11.266,674 12.142,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 7,745 16,746 11,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,780 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,823 1,827 34,832 1,833 7,834 1,837 3,838 1,844 1,847 1.5,848 1,854 16.333,855 11.917,856 7.472,857 4.286,858 3.48,859 1.422,860 0.972,861 7.287,862 11.736,863 3.902,864 4.466,865 5.048,866 5.627,867 6.059,868 6.38,869 6.821,870 7.228,871 7.401,872 7.613,873 0.9,874 50,875 12.597,877 5.34,878 7.495,879 24.914,881 21.096,883 1.995,884 67.833,888 364.904,889 141.22,890 73.146,892 42.683,895 141.22,896 407.588,897 73.146,898 8.825,899 16.455,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 214.366,908 42.683,911 258.964,912 105.94,913 42.683,915 82.337,916 98.702,917 33.326,919 364.904,920 115.829,921 141.22,924 364.904,925 30.3,926 115.943,927 34.796,928 76.009,929 364.904,930 115.829,931 141.22,933 0.576,934 0.337,935 0.184,936 0.096,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.721,944 309.415,945 0.077,946 26,947 160.974,951 23.097,952 10.727,953 5.542,954 2.448,955 97.144,956 22.337,957 7.835,958 3.413,961 3.606,962 1.939,963 77.48,964 621.953,965 48.5,975 67.309,976 77.012,977 0.235,978 0.599,979 0.804,980 0.872,981 0.892,982 0.892,983 5.131,984 1.776,985 6.009,986 5.302,987 4.654,988 5.153,989 1.038,990 6.792,991 4.581,992 6.301,993 1.417,994 7.546,995 4.655,996 4.111,997 4.783,998 0.325,999 7.639,1000 3.992,1001 7.581,1002 1.329,1003 9.185,1004 3.482,1005 6.217,1006 7.301,1007 0.607,1008 10.733,1009 6.075,1010 8.899,1011 1.131,1012 10.886,1013 3.062,1014 6.553,1015 7.885,1016 0.268,1017 12.45,1018 6.368,1019 10.255,1020 1,1021 12.629,1022 2.558,1023 8.066,1024 9.802,1025 0.359,1026 15.03,1027 7.864,1028 11.638,1029 1,1030 14.4,1031 2.275,1032 8.805,1033 10.849,1034 0.188,1035 17.094,1036 8.569,1037 13.043,1038 0.902,1039 16.191,1040 2.136,1041 10.077,1042 12.517,1043 0.214,1044 19.501,1045 9.824,1046 3.118,1047 0.749,1048 17.998,1049 2.115,1050 11.009,1051 13.796,1052 0.125,1053 21.71,1054 10.729,1055 2.983,1056 10.431,1057 19.815,1058 1.878,1059 12.18,1060 15.358,1061 0.129,1062 24.057,1063 11.883,1064 2.753,1065 9.843,1066 21.642,1067 4.518,1068 13.205,1069 16.751,1070 0.082,1071 26.327,1072 12.886,1073 2.615,1074 8.884,1075 23.476,1076 3.731,1077 14.336,1078 18.271,1079 0.079,1080 28.654,1081 14,1082 2.201,1083 7.347,1084 25.315,1085 3.573,1086 15.405,1087 19.719,1088 0.054,1089 30.952,1090 15.05,1091 2.059,1092 6.375,1093 27.159,1094 2.813,1095 16.521,1096 21.224,1097 0.048,1098 33.274,1099 16.15,1100 2.006,1101 5.995,1102 29.007,1103 2.698,1104 17.613,1105 22.7,1106 0.035,1107 35.585,1108 17.225,1109 18956,1110 28440,1111 26.235,1112 44.148,1113 57.255,1114 56.539,1115 57.062,1116 56.606,1117 56.604,1118 71.98,1119 2.915,1120 158.579,1121 54.503,1122 5.568,1123 5.292,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 11.406,1132 1.507,1133 1.488,1134 1.502,1135 1.49,1136 1.49,1137 1.894,1138 0.077,1139 4.173,1140 1.434,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.45,1146 4.07,1147 3.965,1148 4.011,1149 3.885,1150 3.881,1151 5.135,1152 3.876,1153 3.847,1154 3.912,1155 3.79,1156 3.702,1157 4.927,1158 3.7,1159 3.819,1160 3.886,1161 3.724,1162 3.586,1163 4.754,1164 3.623,1165 3.582,1166 3.644,1167 3.449,1168 3.414,1169 4.387,1170 3.415,1171 3.503,1172 3.565,1173 3.352,1174 3.354,1175 4.258,1176 3.346,1177 3.288,1178 3.356,1179 3.177,1180 3.122,1181 4.089,1182 3.127,1183 3.114,1184 3.213,1185 2.95,1186 2.941,1187 3.896,1188 2.91,1189 0.12,1190 0.087,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.292,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.086,1210 2.073,1211 1.432,1212 2.081,1213 1.937,1214 1.904,1215 2.045,1216 2.049,1217 1.283,1218 2.047,1219 1.831,1220 1.772,1221 2.011,1222 1.983,1223 1.211,1224 1.997,1225 1.664,1226 1.609,1227 1.874,1228 1.831,1229 1.114,1230 1.848,1231 1.532,1232 1.476,1233 1.787,1234 1.74,1235 0.922,1236 1.755,1237 1.407,1238 1.335,1239 1.59,1240 1.663,1241 0.825,1242 1.644,1243 1.323,1244 1.257,1245 1.513,1246 1.531,1247 0.761,1248 1.534,1249 1.153,1250 1.064,1251 1.49,1252 1.442,1253 0.583,1254 1.429,1255 4.344,1257 5.652,1258 3.045,1259 7.148,1260 5.283,1261 8.727,1262 7.286,1263 10.351,1265 1.875,1270 10.318,1271 7.749,1272 3.716,1275 0.019,1276 2.579,1280 41.218,1281 97.082,1282 247.945,1283 332.663,1284 360.928,1285 369.193,1286 369.193,1287 51.529,1288 8.256,1289 82,1290 82,1291 28,1292 12.682,1293 4.459,1294 3.524,1295 50.45,1296 189,1297 150,1298 0.128,1299 251.212,1300 421.29,1301 604.718,1302 54754,1304 23.33,1305 0.686,1306 0.581,1307 23.33,1308 19.769,1309 16.67,1310 0.439,1311 0.325,1312 12.194,1313 16.12,1314 11.936,1315 9.874,1316 16.67,1317 12.336,1318 14.738,1319 0.283,1320 0.181,1321 14.738,1322 9.428,1323 12.54,1324 0.182,1325 0.102,1326 12.54,1327 7.032,1328 10.476,1329 0.118,1330 0.057,1331 10.476,1332 5.113,1333 8.154,1334 0.077,1335 0.034,1336 8.154,1337 3.636,1338 0.211,1339 103.646,1340 0.195,1341 32.306,1342 0.327,1343 180,1344 419.396,1345 193.261,1346 414.873,1347 581.59,1348 392,1349 211,1350 440.326,1351 225.511,1352 447.945,1353 650.58,1354 423,1355 7.523} {0 CHEMBL356359,1 1.402,2 11.926,3 3.544,4 12.561,5 108.273,6 6.372,7 0.333,8 4.137,9 4.273,10 3.582,11 3.638,12 5.033,13 3.592,14 4.758,15 4.965,16 3.931,17 4.07,18 5.596,19 3.99,20 5.058,21 5.313,22 4.004,23 4.232,24 5.822,25 4.116,26 5.106,27 5.369,28 3.979,29 4.216,30 5.965,31 4.086,32 5.043,33 5.312,34 3.874,35 4.126,36 5.891,37 3.999,38 4.969,39 5.216,40 3.698,41 4.056,42 5.879,43 3.915,44 4.92,45 5.206,46 3.513,47 3.97,48 5.667,49 3.785,50 4.787,51 5.076,52 3.497,53 3.876,54 5.422,55 3.712,56 0.054,57 0.844,58 14.277,59 5.574,60 6.488,61 8.088,62 0.317,63 1.404,64 27.192,65 9.307,66 22.103,67 14.016,68 0.301,69 1.718,70 36.429,71 12.457,72 26.146,73 18.771,74 0.582,75 1.733,76 38.684,77 12.746,78 50.738,79 19.234,80 0.382,81 1.586,82 36.234,83 11.867,84 37.828,85 17.756,86 0.422,87 1.452,88 33.902,89 11.095,90 50.148,91 16.261,92 0.378,93 1.352,94 31.696,95 10.926,96 39.809,97 16.291,98 0.251,99 1.218,100 27.515,101 9.583,102 19.682,103 14.421,104 8,105 41,106 0.231,107 0.507,108 0.71,109 0.834,110 0.856,111 0.856,112 3.34,113 1.052,114 -4.24,115 -4.18,116 -3.95,119 37.9,120 1,121 5,122 1,125 6,140 4,141 2,150 1,151 1,156 1,169 9,171 1,172 10,174 1,176 2,178 7,182 6,186 3,189 4,192 2,193 6,195 2,197 1,199 7,203 6,206 1,208 2,211 8,215 4,220 2,222 7,225 1,226 5,231 1,233 5,237 1,242 1,244 6,248 2,249 2,254 1,256 5,259 1150,260 18.836,261 18.836,262 18.836,263 18.836,264 18.836,265 17.567,266 22.403,267 11.459,268 19.206,269 14.808,270 14.808,271 14.808,272 14.808,273 14.808,274 12.732,275 23.913,276 5.398,277 15.396,278 4.456,279 2.783,280 1.551,281 0.798,282 0.668,283 0.668,284 4.042,288 1,289 1,290 708,291 3.391,294 51.582,295 204.764,298 186.222,302 1.866,303 20.459,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 57.5,315 322,316 4.792,317 3.693,318 7.137,319 4.346,320 3.383,321 4.745,322 1.058,323 12.474,324 3.265,325 3.844,326 3.222,327 6.007,328 3.632,329 2.668,330 3.238,331 0.86,332 8.284,333 2.579,334 3.65,335 2.878,336 5.71,337 3.452,338 2.475,339 3.016,340 0.8,341 7.386,342 2.414,343 3.629,344 2.525,345 5.492,346 3.222,347 2.278,348 2.656,350 7.367,351 2.138,352 3.23,353 2.35,354 5.138,355 3.154,356 2.198,357 2.287,359 6.387,360 2.088,361 3.027,362 2.07,363 4.731,364 2.62,365 1.654,366 2.113,368 4.703,369 1.59,370 2.872,371 1.703,372 3.85,373 2.449,374 1.48,375 2.034,377 3.129,378 1.428,379 2.505,380 1.479,381 3.719,382 2.409,383 1.418,384 1.502,386 3.032,387 1.403,388 2.427,389 1.399,390 3.541,391 2.296,392 1.317,393 1.425,395 2.673,396 1.285,397 2.273,398 1.199,399 3.481,400 1.984,401 1,402 1.221,404 2.449,405 0.983,406 2,407 1.182,408 3.414,409 1.937,410 1,411 1,413 2.275,414 0.93,415 1.838,416 1.077,417 3.393,418 1.698,419 0.746,420 0.795,422 1.762,423 0.706,424 1.687,425 0.739,426 2.957,427 1.392,428 0.411,429 0.477,431 0.89,432 0.401,433 1.304,434 0.448,435 2.508,436 1.207,437 0.216,438 0.238,440 0.392,441 0.213,442 0.791,443 -0.081,444 2.367,445 0.586,446 -0.402,447 -0.416,449 -0.788,450 -0.394,451 12.867,452 0.477,453 0.483,454 0.018,455 27.75,456 1.028,457 10,458 0.37,459 17.75,460 0.657,461 27.974,462 1.036,463 30.933,464 0.533,465 18.443,466 0.683,467 4.85,468 0.18,469 8.425,470 0.312,471 0.065,473 0.295,479 0.813,480 1.52,481 0.929,482 1.269,483 0.565,484 1.131,485 0.985,486 1.164,487 1.021,488 1.052,489 0.583,490 1.033,491 0.987,492 1.077,493 0.92,494 1,495 0.757,496 0.953,497 0.934,498 0.992,499 0.956,500 0.979,501 0.994,502 0.968,503 1.225,504 0.959,505 0.968,506 0.963,507 1.3,508 0.935,509 1.736,510 1.038,511 1.253,512 1.06,513 2.488,514 1.103,515 1.057,516 0.934,517 1.031,518 0.97,519 1.528,520 1,521 0.886,522 0.922,523 0.896,524 0.909,525 0.494,526 0.904,527 3.5,528 0.135,529 2.667,530 2.236,531 1.307,532 0.671,533 0.463,534 0.346,535 0.137,536 0.12,537 9392,538 17316,539 2.142,540 53.4,541 5,542 16,545 1,547 7,548 2,550 1.698,551 2.051,552 3.465,553 -0.382,555 1,559 81.32,560 1.402,561 3.075,562 4.307,563 5.06,564 5.19,565 5.19,566 2.94,567 4.06,568 4.721,569 3.667,570 1286.97,571 8.183,572 16636.2,574 1,576 1,577 339.763,578 1.218,579 4.706,580 0.117,581 0.008,582 0.065,583 0.052,584 0.033,585 0.019,586 0.016,587 0.014,588 0.005,589 0.005,590 0.334,591 0.33,592 1,593 0.983,594 134.779,595 0.015,596 -0.215,597 0.08,598 -0.074,599 0.023,600 -0.003,601 0.055,602 0.011,603 -0.001,604 0.001,605 0.072,606 -0.005,607 -0.02,608 -0.041,609 0.071,610 0.004,611 0.037,612 0.044,613 0.187,614 0.016,615 0.049,616 -0.009,617 0.152,618 0.003,619 -0.03,620 0.025,621 0.042,622 -0.003,623 0.035,624 0.028,625 -0.242,626 -0.055,627 -0.216,628 -0.083,629 -0.256,630 -0.14,631 -0.036,632 -0.004,633 -0.054,634 -0.005,635 -0.133,636 -0.03,637 -0.025,638 0.026,639 0.068,640 0.064,641 0.005,642 0.076,643 1.657,644 6.025,645 0.704,646 25.739,647 0.988,648 1.133,649 3.009,650 9.053,651 0.631,652 3.434,653 3.738,654 4.06,655 4.382,656 4.654,657 4.71,658 4.828,659 4.934,660 4.875,661 4.934,662 6.785,663 0.584,664 369.56,665 3.434,666 4.963,667 5.826,668 6.713,669 7.604,670 8.506,671 9.41,672 10.32,673 11.232,674 12.147,675 5.2,678 1,682 1,683 1,687 2,688 4,693 2,694 1,695 10,702 1,712 1,714 58,716 11,717 1,718 30,720 61,721 22,722 8,723 2,724 4,725 1,730 4,731 7,736 1,740 3,741 1,743 5,745 9,746 13,747 1,750 1,755 1,759 1,761 1,764 31,765 4,766 1,767 5,773 3,777 0.5,778 2,788 1,792 1,793 3,796 2,815 1,819 2,823 1,827 27,833 11,834 1,835 1,837 1,838 1,847 3.4,850 1,852 1,854 13.167,855 10.4,856 6.083,857 4.104,858 2.119,859 1.276,860 0.98,861 6.038,862 9.796,863 3.611,864 4.147,865 4.765,866 5.41,867 5.945,868 6.273,869 6.629,870 6.95,871 6.89,872 7.066,873 0.875,874 43,875 10.104,877 4.3,878 7.469,879 20.215,881 17.249,883 1.969,884 53.167,886 1,887 1,888 353.133,889 91.946,890 23.034,892 36.145,895 91.946,896 389.278,897 23.034,898 8.825,899 45.804,900 37.905,901 29.85,902 26.596,903 2.144,904 353.133,906 353.133,907 114.98,908 36.145,911 247.193,912 142.085,915 64.468,916 50.512,919 353.133,920 59.179,921 91.946,924 353.133,925 45.215,926 51.754,927 18.011,928 36.145,929 353.133,930 59.179,931 91.946,933 0.565,934 0.338,935 0.198,936 0.118,937 20,938 8,939 0.098,940 6,941 2,942 1.211,943 3.967,944 231.953,945 0.211,946 19,947 124.382,951 18.826,952 8.659,953 4.019,954 2.1,955 57.28,956 8.136,961 1.458,962 2.153,963 18.011,964 504.258,965 36,970 13.025,974 0.01,975 57.33,976 65.727,977 0.239,978 0.525,979 0.735,980 0.864,981 0.886,982 0.886,983 4.856,984 1.418,985 5.79,986 3.129,987 4.419,988 4.832,989 1.737,990 6.624,991 4.344,992 6.016,993 1.317,994 7.352,995 3.032,996 3.892,997 4.663,998 0.325,999 7.603,1000 3.783,1001 7.314,1002 1,1003 9.025,1004 2.673,1005 6.009,1006 7.024,1007 1.622,1008 10.783,1009 5.859,1010 8.658,1011 1,1012 10.769,1013 2.449,1014 6.399,1015 7.843,1016 0.268,1017 12.704,1018 6.217,1019 10.051,1020 0.746,1021 12.561,1022 2.275,1023 7.938,1024 9.68,1025 1.587,1026 15.415,1027 7.718,1028 11.479,1029 0.411,1030 14.388,1031 1.762,1032 8.773,1033 10.941,1034 0.188,1035 17.716,1036 8.522,1037 12.935,1038 0.216,1039 16.24,1040 0.89,1041 10.088,1042 12.594,1043 1.592,1044 20.293,1045 9.801,1046 3.383,1047 -0.402,1048 18.113,1049 0.392,1050 11.134,1051 14.037,1052 0.125,1053 22.737,1054 10.814,1055 2.668,1056 12.474,1057 20.003,1058 -0.788,1059 12.371,1060 15.627,1061 1.624,1062 25.275,1063 12.016,1064 2.475,1065 8.284,1066 21.906,1067 4.745,1068 13.512,1069 17.141,1070 0.082,1071 27.771,1072 13.123,1073 2.278,1074 7.386,1075 23.82,1076 3.238,1077 14.727,1078 18.709,1079 1.676,1080 30.298,1081 14.302,1082 2.198,1083 7.367,1084 25.743,1085 3.016,1086 15.91,1087 20.249,1088 0.054,1089 32.812,1090 15.45,1091 1.654,1092 6.387,1093 27.674,1094 2.656,1095 17.121,1096 21.81,1097 1.742,1098 35.336,1099 16.625,1100 1.48,1101 4.703,1102 29.61,1103 2.287,1104 18.322,1105 23.36,1106 0.035,1107 37.856,1108 17.791,1109 8928,1110 12353,1111 20.572,1112 36.586,1113 44.555,1114 45.846,1115 46.075,1116 44.534,1117 44.49,1118 53.497,1119 5.437,1120 126.406,1121 42.844,1122 5.792,1123 5.693,1124 7.001,1125 5.455,1126 5.383,1127 7.745,1128 2.117,1129 19.934,1130 5.265,1131 9.688,1132 1.485,1133 1.528,1134 1.536,1135 1.484,1136 1.483,1137 1.783,1138 0.181,1139 4.214,1140 1.428,1141 4.167,1142 4.195,1143 4.137,1144 4.065,1145 7.429,1146 4.079,1147 3.899,1148 3.965,1149 3.772,1150 3.753,1151 4.954,1152 3.748,1153 3.646,1154 3.719,1155 3.52,1156 3.503,1157 4.535,1158 3.491,1159 3.635,1160 3.685,1161 3.487,1162 3.488,1163 4.375,1164 3.481,1165 3.482,1166 3.541,1167 3.369,1168 3.287,1169 4.14,1170 3.3,1171 3.258,1172 3.329,1173 3.097,1174 3.083,1175 3.997,1176 3.077,1177 3.111,1178 3.206,1179 2.955,1180 2.941,1181 3.907,1182 2.91,1183 3.105,1184 3.19,1185 2.866,1186 2.893,1187 3.779,1188 2.896,1189 0.16,1190 0.123,1191 0.238,1192 0.145,1193 0.113,1194 4.792,1195 0.158,1196 3.693,1197 0.035,1198 7.137,1199 0.416,1200 4.346,1201 0.109,1202 3.383,1203 4.745,1204 1.058,1205 12.474,1206 3.265,1207 1.944,1208 1.92,1209 2.083,1210 2.056,1211 1.465,1212 2.068,1213 1.873,1214 1.813,1215 2.038,1216 2.045,1217 1.262,1218 2.043,1219 1.744,1220 1.703,1221 1.944,1222 1.936,1223 1.245,1224 1.93,1225 1.661,1226 1.592,1227 1.915,1228 1.84,1229 1.13,1230 1.876,1231 1.42,1232 1.367,1233 1.643,1234 1.665,1235 0.869,1236 1.662,1237 1.252,1238 1.177,1239 1.513,1240 1.462,1241 0.825,1242 1.484,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.692,1248 1.429,1249 1.077,1250 0.992,1251 1.381,1252 1.321,1253 0.622,1254 1.349,1255 4.111,1257 5.416,1258 2.398,1259 6.934,1260 4.949,1261 8.554,1262 7.248,1263 10.229,1265 2.246,1271 11.791,1272 3.204,1273 5.9,1275 0.581,1276 2.563,1280 33.869,1281 81.32,1282 178.332,1283 249.815,1284 293.498,1285 301.008,1286 301.008,1287 43.904,1288 7.677,1289 46.5,1290 46.5,1291 23,1292 12.66,1293 3.585,1294 2.807,1295 40.431,1296 108,1297 142,1298 0.181,1299 205.967,1300 355.3,1301 494.319,1302 23923,1304 18.64,1305 0.69,1306 0.607,1307 18.64,1308 16.376,1309 13.275,1310 0.443,1311 0.351,1312 10.397,1313 12.817,1314 10.188,1315 8.43,1316 13.275,1317 10.522,1318 11.385,1319 0.278,1320 0.193,1321 11.385,1322 7.9,1323 9.908,1324 0.174,1325 0.105,1326 9.908,1327 6.001,1328 8.55,1329 0.108,1330 0.055,1331 8.55,1332 4.384,1333 7.461,1334 0.072,1335 0.033,1336 7.461,1337 3.387,1338 0.288,1339 82.741,1340 0.22,1341 26.123,1342 0.486,1343 142,1344 341.094,1345 154.418,1346 324.684,1347 453.84,1348 308,1349 169,1350 339.415,1351 182.807,1352 340.056,1353 508.97,1354 323,1355 5} {0 CHEMBL356623,1 1.587,2 16.614,3 1.704,4 2.904,5 168.089,6 7.298,7 0.255,8 4.501,9 4.623,10 4.025,11 3.989,12 5.65,13 3.973,14 5.054,15 5.225,16 4.389,17 4.408,18 6.236,19 4.365,20 5.362,21 5.559,22 4.557,23 4.639,24 6.418,25 4.579,26 5.549,27 5.749,28 4.652,29 4.733,30 6.703,31 4.669,32 5.642,33 5.86,34 4.623,35 4.76,36 6.795,37 4.678,38 5.636,39 5.881,40 4.543,41 4.723,42 6.732,43 4.611,44 5.637,45 5.903,46 4.349,47 4.618,48 6.642,49 4.491,50 5.482,51 5.751,52 4.3,53 4.459,54 6.501,55 4.344,56 0.216,57 1.193,58 17.639,59 7.575,60 24.776,61 10.032,62 0.625,63 1.893,64 33.387,65 12.828,66 97.578,67 17.605,68 0.681,69 2.449,70 46.88,71 17.181,72 95.931,73 23.845,74 0.996,75 2.767,76 58.249,77 20.42,78 151.812,79 27.87,80 1.308,81 2.928,82 65.944,83 21.364,84 211.167,85 30.048,86 1.106,87 2.936,88 65.655,89 21.419,90 182.256,91 31.636,92 1.276,93 2.742,94 68.755,95 19.986,96 202.537,97 29.887,98 1.136,99 2.325,100 59,101 17.967,102 151.2,103 26.544,104 94,105 66,106 0.239,107 0.575,108 0.734,109 0.813,110 0.839,111 0.843,112 3.81,113 0.936,114 -3.23,115 -3.22,116 -3.09,119 38.6,120 2,121 3,122 1,123 1,125 6,135 2,137 2,140 9,141 2,142 1,156 3,161 1,162 1,163 1,164 2,169 16,171 2,172 9,173 1,174 2,176 7,178 22,180 1,182 15,184 1,186 3,189 19,191 1,193 17,195 3,196 2,197 7,198 1,199 17,201 3,202 2,203 13,206 1,208 7,211 8,213 2,214 2,215 15,217 1,218 2,219 1,220 14,221 1,222 8,224 3,226 8,231 3,233 4,236 2,237 8,239 1,240 5,242 4,244 7,246 1,248 4,249 7,251 2,252 8,254 3,256 4,259 4142,260 29.249,261 29.249,262 29.249,263 29.249,264 29.249,265 26.507,266 42.29,267 17.263,268 29.67,269 23.052,270 23.052,271 23.052,272 23.052,273 23.052,274 18.915,275 54.893,276 7.974,277 23.654,278 4.788,279 2.562,280 1.507,281 0.985,282 0.813,283 0.789,284 4.497,290 1538,291 5.148,295 679.003,302 2.166,303 68.963,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 97.5,315 731,316 4.706,317 4.203,318 7.944,319 4.599,320 3.601,321 4.11,322 2.612,323 14.984,324 3.591,325 4.641,326 3.888,327 7.131,328 4.344,329 3.348,330 3.973,331 2.491,332 12.406,333 3.333,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.36,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 1.058,350 8.257,351 2.681,352 3.767,353 3.136,354 5.702,355 3.382,356 2.456,357 3.208,358 0.98,359 7.456,360 2.325,361 3.635,362 3.065,363 5.468,364 3.352,365 2.373,366 3.043,367 0.8,368 6.945,369 2.278,370 3.464,371 2.765,372 5.339,373 3.179,374 2.193,375 2.485,376 0.759,377 6.179,378 2.15,379 3.347,380 2.744,381 5.011,382 3.039,383 2.057,384 2.434,385 0.473,386 5.614,387 2.006,388 3.098,389 2.372,390 4.62,391 2.728,392 1.781,393 2.156,394 0.359,395 4.454,396 1.684,397 3.037,398 2.154,399 4.608,400 2.676,401 1.699,402 2.136,404 4.373,405 1.637,406 3.014,407 2.058,408 4.366,409 2.481,410 1.481,411 2.11,413 3.712,414 1.473,415 2.62,416 1.974,417 3.802,418 2.351,419 1.353,420 1.64,422 2.969,423 1.346,424 2.508,425 1.702,426 3.767,427 2.271,428 1.303,429 1.5,431 2.785,432 1.248,433 2.5,434 1.632,435 3.678,436 2.097,437 1.113,438 1.5,440 2.642,441 1.086,442 2.5,443 1.265,444 3.589,445 2.036,446 1.036,447 1.485,449 2.372,450 1.03,451 20.333,452 0.462,453 1.174,454 0.027,455 50.25,456 1.142,457 22.5,458 0.511,459 27.75,460 0.631,461 49.758,462 1.131,463 49.867,464 0.601,465 49.755,466 1.131,467 10.141,468 0.23,469 10.943,470 0.249,471 0.167,472 0.025,473 0.31,479 0.658,480 1.272,481 0.817,482 1.115,483 0.61,484 1.011,485 0.644,486 1.119,487 0.848,488 1.034,489 0.473,490 0.986,491 0.801,492 1.082,493 0.922,494 1.056,495 0.672,496 1.012,497 1.009,498 1.086,499 1.016,500 1.119,501 0.987,502 1.082,503 1.087,504 1.083,505 1.077,506 1.053,507 1.084,508 1.065,509 0.717,510 1.152,511 0.975,512 1.138,513 0.67,514 1.114,515 1.061,516 0.977,517 1.084,518 0.968,519 1.026,520 1.014,521 0.846,522 0.918,523 0.885,524 0.95,525 0.902,526 0.934,527 9,528 0.305,529 6,530 4.188,531 3.16,532 2.319,533 1.131,534 0.825,535 0.695,536 0.325,537 34051,538 102488,539 1.988,540 47,541 1,542 21,545 5,547 10,548 2,550 1.821,551 1.827,552 3.897,553 2.11,559 131.736,560 1.587,561 3.813,562 4.868,563 5.39,564 5.562,565 5.586,566 3.297,567 4.869,568 5.434,569 4.167,570 3942.39,571 9.613,572 75950.7,577 529.128,578 1.621,579 5.365,580 0.191,581 0.007,582 0.091,583 0.054,584 0.039,585 0.03,586 0.016,587 0.015,588 0.013,589 0.006,590 0.464,591 0.17,592 0.63,593 1.229,594 258.119,595 0.025,596 0.018,597 0.026,598 0.044,599 -0.039,600 0.035,601 0.111,602 0.042,603 0.048,604 0.062,605 0.143,606 0.046,607 -0.034,608 0.021,609 -0.005,610 0.009,611 -0.007,612 0.015,613 -0.057,614 -0.044,615 -0.06,616 -0.082,617 -0.042,618 -0.077,619 -0.09,620 -0.082,621 -0.097,622 -0.049,623 -0.072,624 -0.073,625 0.053,626 -0.153,627 -0.017,628 -0.143,629 0.07,630 -0.104,631 -0.135,632 -0.037,633 -0.079,634 -0.028,635 -0.12,636 -0.036,637 0.057,638 -0.002,639 0.121,641 -0.024,642 0.057,643 2.51,644 6.522,645 0.545,646 56.882,647 1.01,648 1.133,649 2.003,650 4.011,651 0.64,652 3.871,653 4.205,654 4.5,655 4.762,656 4.99,657 5.081,658 5.124,659 5.176,660 5.165,661 5.011,662 9.738,663 0.615,664 605.76,665 3.871,666 5.425,667 6.286,668 7.18,669 8.068,670 8.972,671 9.871,672 10.78,673 11.684,674 12.596,675 6,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 83,716 19,717 2,718 47,720 86,721 32,722 12,723 3,724 9,725 6,730 4,731 4,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 13,747 1,750 7,752 1,755 5,759 7,764 39,765 11,766 5,767 12,773 5,777 1,778 7,779 1,793 4,804 1,805 1,808 1,810 2,811 2,814 1,815 1,817 1,819 4,823 2,827 44,828 1,832 1,833 9,834 2,835 1,837 1,838 1,839 1,847 8.4,848 1,850 3,852 1,853 2,854 24.083,855 15.017,856 9.889,857 4.954,858 2.605,859 1.314,860 0.928,861 11.195,862 10.896,863 4.111,864 4.644,865 5.124,866 5.6,867 6.053,868 6.265,869 6.543,870 6.827,871 7.019,872 6.781,873 0.909,874 77,875 16.473,877 7.177,878 8.051,879 30.645,881 25.224,883 2.551,884 112.25,888 400.217,889 161.169,890 77.713,892 179.865,895 161.169,896 580.082,897 77.713,898 23.32,899 71.527,900 145.98,901 97.549,902 29.623,904 400.217,905 50.747,906 400.217,907 238.882,908 179.865,911 258.964,912 227.688,913 93.43,915 110.312,916 117.386,917 11.184,919 400.217,920 257.578,921 161.169,924 400.217,925 58.232,926 111.731,927 36.022,928 212.762,929 400.217,930 257.578,931 161.169,933 0.58,934 0.348,935 0.192,936 0.107,937 28,938 15,939 0.151,940 13,942 1,943 5.034,944 447.464,946 24,947 226.215,951 33.184,952 14.843,953 7.514,955 251.908,956 15.341,961 1.348,963 111.602,964 818.964,965 60,967 -0.51,970 61.43,974 0.261,975 83.821,976 94.016,977 0.249,978 0.598,979 0.764,980 0.845,981 0.872,982 0.876,983 5.375,984 2.057,985 6.301,986 6.179,987 4.89,988 5.333,989 3.48,990 7.191,991 4.851,992 6.583,993 1.781,994 7.919,995 5.614,996 4.635,997 5.223,998 3.058,999 8.513,1000 4.602,1001 7.911,1002 1.699,1003 9.66,1004 4.454,1005 6.575,1006 7.45,1007 4.814,1008 11.646,1009 6.513,1010 9.278,1011 1.481,1012 11.48,1013 4.373,1014 7.186,1015 8.144,1016 5.149,1017 13.889,1018 7.142,1019 10.683,1020 1.353,1021 13.357,1022 3.712,1023 8.64,1024 9.886,1025 6.501,1026 16.655,1027 8.578,1028 12.113,1029 1.303,1030 15.275,1031 2.969,1032 9.628,1033 10.928,1034 7.134,1035 19.204,1036 9.58,1037 13.565,1038 1.113,1039 17.224,1040 2.785,1041 10.926,1042 12.482,1043 8.299,1044 21.896,1045 10.87,1046 3.601,1047 1.036,1048 19.197,1049 2.642,1050 12.072,1051 13.688,1052 9.072,1053 24.54,1054 12.024,1055 3.348,1056 14.984,1057 21.188,1058 2.372,1059 13.329,1060 15.157,1061 10.14,1062 27.224,1063 13.277,1064 2.763,1065 12.406,1066 23.194,1067 4.11,1068 14.54,1069 16.447,1070 10.987,1071 29.899,1072 14.49,1073 2.676,1074 9.057,1075 25.212,1076 3.973,1077 15.79,1078 17.876,1079 12.003,1080 32.587,1081 15.739,1082 2.456,1083 8.257,1084 27.238,1085 3.91,1086 17.029,1087 19.21,1088 12.891,1089 35.275,1090 16.978,1091 2.373,1092 7.456,1093 29.272,1094 3.485,1095 18.283,1096 20.619,1097 13.877,1098 37.968,1099 18.229,1100 2.193,1101 6.945,1102 31.312,1103 3.208,1104 19.534,1105 21.978,1106 14.789,1107 40.663,1108 19.48,1109 33100,1110 57652,1111 30.224,1112 53.154,1113 70.41,1114 73.817,1115 74.796,1116 69.704,1117 69.776,1118 86.941,1119 21.784,1120 204.56,1121 68.323,1122 5.706,1123 6.203,1124 7.806,1125 5.642,1126 5.601,1127 7.11,1128 4.612,1129 22.804,1130 5.591,1131 28.245,1132 1.498,1133 1.571,1134 1.591,1135 1.483,1136 1.485,1137 1.85,1138 0.463,1139 4.352,1140 1.454,1141 4.072,1142 4.101,1143 4.024,1144 3.979,1145 7.815,1146 3.983,1147 3.996,1148 4.027,1149 3.933,1150 3.918,1151 7.439,1152 3.917,1153 3.871,1154 3.902,1155 3.836,1156 3.718,1157 7.431,1158 3.733,1159 3.766,1160 3.823,1161 3.659,1162 3.634,1163 7.428,1164 3.632,1165 3.63,1166 3.68,1167 3.534,1168 3.452,1169 6.999,1170 3.457,1171 3.543,1172 3.584,1173 3.441,1174 3.322,1175 6.456,1176 3.337,1177 3.469,1178 3.507,1179 3.428,1180 3.271,1181 4.896,1182 3.277,1183 3.451,1184 3.489,1185 3.321,1186 3.085,1187 4.758,1188 3.156,1189 0.1,1190 0.089,1191 0.169,1192 0.098,1193 0.077,1194 4.706,1195 0.087,1196 4.203,1197 0.056,1198 7.944,1199 0.319,1200 4.599,1201 0.076,1202 3.601,1203 4.11,1204 2.612,1205 14.984,1206 3.591,1207 1.997,1208 1.974,1209 2.108,1210 2.117,1211 1.452,1212 2.102,1213 1.978,1214 1.95,1215 2.082,1216 2.09,1217 1.309,1218 2.094,1219 1.796,1220 1.765,1221 1.953,1222 1.991,1223 1.2,1224 1.957,1225 1.753,1226 1.7,1227 1.904,1228 1.913,1229 1.016,1230 1.924,1231 1.593,1232 1.537,1233 1.826,1234 1.8,1235 0.999,1236 1.805,1237 1.462,1238 1.416,1239 1.733,1240 1.742,1241 0.947,1242 1.737,1243 1.423,1244 1.374,1245 1.672,1246 1.634,1247 0.825,1248 1.634,1249 1.239,1250 1.193,1251 1.513,1252 1.627,1253 0.774,1254 1.55,1255 4.554,1257 5.883,1259 7.422,1261 9.066,1263 10.77,1265 3.445,1269 5.729,1270 9.15,1271 3.935,1272 6.051,1273 5.374,1275 -0.784,1276 2.246,1277 -0.768,1280 51.066,1281 131.736,1282 316.463,1283 404.07,1284 447.354,1285 461.618,1286 463.618,1287 158.693,1288 8.291,1289 179.81,1290 179.81,1291 24,1292 13.111,1293 4.322,1294 3.807,1295 85.489,1296 265,1297 250,1298 0.156,1299 314.968,1300 575.77,1301 760.282,1302 53786,1304 31.855,1305 0.724,1306 0.568,1307 31.855,1308 25.006,1309 21.084,1310 0.449,1311 0.312,1312 14.437,1313 20.13,1314 14.096,1315 11.635,1316 21.084,1317 14.656,1318 18.902,1319 0.286,1320 0.168,1321 18.902,1322 11.107,1323 15.625,1324 0.176,1325 0.094,1326 15.625,1327 8.396,1328 13.157,1329 0.113,1330 0.053,1331 13.157,1332 6.146,1333 10.288,1334 0.07,1335 0.03,1336 10.288,1337 4.342,1338 0.252,1339 133.515,1340 0.182,1341 39.059,1342 0.408,1343 226,1344 727.831,1345 250.795,1346 688.553,1347 904.99,1348 636,1349 268,1350 638.145,1351 291.555,1352 638.01,1353 929.59,1354 598,1355 4.959} {0 CHEMBL356808,1 1.336,2 15.765,3 4.417,4 19.51,5 140.055,6 6.686,7 0.538,8 4.312,9 4.453,10 3.812,11 3.862,12 5.249,13 3.818,14 4.903,15 5.101,16 4.16,17 4.318,18 5.736,19 4.238,20 5.201,21 5.452,22 4.13,23 4.466,24 5.917,25 4.325,26 5.281,27 5.556,28 4.029,29 4.454,30 5.967,31 4.281,32 5.268,33 5.575,34 3.912,35 4.356,36 5.891,37 4.166,38 5.118,39 5.407,40 3.919,41 4.285,42 5.761,43 4.123,44 5.1,45 5.373,46 3.923,47 4.285,48 5.794,49 4.123,50 5.112,51 5.406,52 3.764,53 4.218,54 5.768,55 4.034,56 0.104,57 1.061,58 16.004,59 6.239,60 13.046,61 9.088,62 0.265,63 1.781,64 29.921,65 10.925,66 21.263,67 16.204,68 0.274,69 2.162,70 40.951,71 15.414,72 26.931,73 22.948,74 0.31,75 2.238,76 44.863,77 16.543,78 33.73,79 24.853,80 0.382,81 2.11,82 44.987,83 16.229,84 34.194,85 24.525,86 0.294,87 1.881,88 38.326,89 14.086,90 25.231,91 21.162,92 0.296,93 1.891,94 37.426,95 13.853,96 27.12,97 20.726,98 0.339,99 1.844,100 38.409,101 13.351,102 29.237,103 20.365,105 54,106 0.209,107 0.54,108 0.736,109 0.83,110 0.861,111 0.866,112 3.56,113 0.986,114 -5.74,115 -5.61,116 -5.23,119 41.2,121 6,122 1,125 4,127 1,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 15,171 2,172 5,176 6,178 16,182 4,186 8,189 12,193 6,197 3,199 10,203 6,206 2,208 1,211 12,215 4,218 1,222 12,226 5,229 2,231 1,233 8,236 1,237 6,242 3,244 5,249 2,254 2,256 5,259 2140,260 23.947,261 23.947,262 23.947,263 23.947,264 23.947,265 21.532,266 29.224,267 14.253,268 24.341,269 19.301,270 19.301,271 19.301,272 19.301,273 19.301,274 15.68,275 31.951,276 6.787,277 19.942,278 4.751,279 2.643,280 1.388,281 0.787,282 0.588,283 0.559,284 4.285,289 1,290 1226,291 3.162,294 267.291,295 319.279,298 315.446,302 2.512,303 12.983,306 0.75,307 0.5,308 1,309 0.8,310 0.5,311 1,312 1,313 0.79,314 71,315 536,316 4.568,317 3.337,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.33,326 3.196,327 6.526,328 4.054,329 3.063,330 3.886,331 0.657,332 10.265,333 3.035,334 4.129,335 2.897,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.58,343 3.661,344 2.865,345 5.496,346 3.616,347 2.654,348 2.813,350 7.398,351 2.559,352 3.433,353 2.436,354 5.186,355 3.198,356 2.245,357 2.663,359 6.448,360 2.13,361 3.294,362 2.21,363 5.127,364 3.012,365 2.033,366 2.59,368 6.002,369 1.984,370 3.247,371 2.162,372 5.061,373 2.943,374 1.967,375 2.402,377 5.891,378 1.917,379 3.132,380 1.795,381 4.514,382 2.73,383 1.776,384 2.185,386 4.655,387 1.69,388 2.919,389 1.669,390 4.185,391 2.546,392 1.546,393 2.072,395 3.763,396 1.546,397 2.742,398 1.38,399 4.133,400 2.319,401 1.333,402 1.847,404 3.482,405 1.313,406 2.546,407 1.306,408 3.595,409 2.197,410 1.212,411 1.557,413 2.825,414 1.193,415 2.427,416 1.158,417 3.482,418 2.093,419 1.125,420 1.401,422 2.549,423 1.087,424 2.26,425 1.077,426 3.414,427 1.984,428 1,429 1.204,431 2.275,432 0.983,433 2.118,434 0.959,435 3.327,436 1.869,437 0.904,438 1,440 2.11,441 0.87,442 2.004,443 0.892,444 3.266,445 1.775,446 0.805,447 0.927,449 1.865,450 0.779,451 16.4,452 0.482,453 0.598,454 0.018,455 40.5,456 1.191,457 18,458 0.529,459 22.5,460 0.662,461 33.414,462 0.983,463 36.4,464 0.535,465 26.36,466 0.775,467 7.39,468 0.217,469 9.441,470 0.278,473 0.293,479 0.925,480 1.326,481 0.884,482 1.096,483 0.694,484 1.005,485 1.173,486 1.083,487 1.04,488 1.024,489 0.832,490 1.02,491 0.935,492 1.078,493 1.045,494 1.093,495 0.745,496 1.082,497 0.91,498 1.075,499 1.06,500 1.111,501 0.846,502 1.102,503 0.781,504 0.874,505 0.907,506 0.926,507 0.791,508 0.928,509 0.791,510 0.915,511 0.887,512 0.929,513 0.673,514 0.919,515 0.785,516 1.066,517 0.998,518 1.093,519 0.79,520 1.071,521 1.066,522 0.94,523 1.06,524 0.997,525 1.128,526 1.023,527 5,528 0.102,529 3.778,530 1.424,531 1.028,532 0.819,533 0.535,534 0.256,535 0.197,536 0.205,537 22842,538 45610,539 2.253,540 50,541 4,542 16,543 1,544 2,545 2,547 9,550 1.751,551 2.217,552 3.901,553 0.118,559 90.858,560 1.336,561 3.444,562 4.699,563 5.301,564 5.499,565 5.529,566 3.363,567 4.631,568 5.062,569 4.131,570 2317.74,571 8.821,572 38831.9,577 413.947,578 0.874,579 5.06,580 0.128,581 0.004,582 0.07,583 0.028,584 0.024,585 0.022,586 0.013,587 0.007,588 0.006,589 0.007,590 0.309,591 0.17,592 0.75,594 188.329,595 0.118,596 -0.098,597 0.088,598 -0.015,599 0.248,600 0.025,601 -0.039,602 0.064,603 -0.053,604 0.002,605 0.055,606 -0.022,607 -0.071,608 -0.071,609 -0.075,610 -0.074,611 0.035,612 -0.075,613 -0.054,614 -0.116,615 -0.088,616 -0.112,617 -0.005,618 -0.104,619 0.088,620 0.03,621 0.075,622 0.048,623 0.077,624 0.058,625 0.061,626 0.022,627 0.09,628 0.063,629 0.116,630 0.077,631 0.091,632 -0.101,633 -0.023,634 -0.095,635 0.055,636 -0.074,637 -0.065,638 0.005,639 -0.07,640 -0.034,641 -0.162,642 -0.049,643 0.768,644 1.384,645 0.853,646 42.405,647 0.985,648 1.129,649 4.515,650 20.383,651 0.657,652 3.689,653 4.007,654 4.317,655 4.585,656 4.745,657 4.828,658 4.963,659 5.094,660 5.124,661 5.204,662 9.33,663 0.61,664 454.68,665 3.689,666 5.231,667 6.094,668 6.967,669 7.84,670 8.718,671 9.595,672 10.475,673 11.355,674 12.237,675 8.8,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 68,716 21,717 2,718 39,720 73,721 28,722 16,723 5,724 7,730 6,731 8,740 5,741 1,743 7,745 16,746 12,747 1,764 34,765 4,766 2,767 6,773 6,777 0.667,788 1,792 3,793 3,796 2,814 1,815 1,819 4,827 34,833 10,834 1,837 2,838 1,844 1,854 15.333,855 11.8,856 7.389,857 4.476,858 3.734,859 1.428,860 1.03,861 6.391,862 12.456,863 3.922,864 4.5,865 5.104,866 5.686,867 6.111,868 6.444,869 6.872,870 7.274,871 7.43,872 7.65,873 1,874 50,875 12.607,877 5.402,878 7.343,879 25.449,881 22.162,883 1.843,884 62.667,888 376.675,889 133.279,890 73.146,895 133.279,896 376.675,897 73.146,899 23.63,900 93.392,901 74.105,902 36.695,903 13.915,904 341.362,906 376.675,907 206.425,911 270.735,912 105.94,915 80.687,916 92.412,917 33.326,919 376.675,920 73.146,921 133.279,924 376.675,925 40.661,926 97.642,927 34.796,928 33.326,929 376.675,930 73.146,931 133.279,933 0.578,934 0.344,935 0.19,936 0.095,937 28,938 10,939 0.11,940 8,941 2,942 1.138,943 4.884,944 314.364,945 0.138,946 29,947 164.974,951 21.88,952 9.931,953 4.807,954 2.509,955 54.461,956 21.14,957 7.863,958 3.437,961 5.585,962 1.959,963 34.796,964 583.1,965 49.5,975 66.981,976 76.803,977 0.219,978 0.566,979 0.772,980 0.871,981 0.903,982 0.908,983 5.16,984 1.776,985 6.052,986 5.891,987 4.691,988 5.187,989 1.038,990 6.845,991 4.631,992 6.329,993 1.546,994 7.591,995 4.655,996 4.111,997 4.844,998 0.325,999 7.695,1000 4.024,1001 7.616,1002 1.333,1003 9.231,1004 3.763,1005 6.263,1006 7.354,1007 0.607,1008 10.799,1009 6.149,1010 8.943,1011 1.212,1012 10.935,1013 3.482,1014 6.594,1015 7.98,1016 0.268,1017 12.537,1018 6.459,1019 10.309,1020 1.125,1021 12.679,1022 2.825,1023 8.125,1024 9.877,1025 0.359,1026 15.12,1027 7.969,1028 11.703,1029 1,1030 14.453,1031 2.549,1032 8.874,1033 10.954,1034 0.188,1035 17.207,1036 8.702,1037 13.118,1038 0.904,1039 16.248,1040 2.275,1041 10.155,1042 12.606,1043 0.214,1044 19.622,1045 9.967,1046 3.118,1047 0.805,1048 18.058,1049 2.11,1050 11.1,1051 13.898,1052 0.125,1053 21.851,1054 10.9,1055 3.063,1056 10.431,1057 19.881,1058 1.865,1059 12.278,1060 15.449,1061 0.129,1062 24.208,1063 12.064,1064 2.753,1065 10.265,1066 21.712,1067 4.518,1068 13.315,1069 16.843,1070 0.082,1071 26.495,1072 13.091,1073 2.654,1074 8.884,1075 23.551,1076 3.886,1077 14.453,1078 18.354,1079 0.079,1080 28.834,1081 14.217,1082 2.245,1083 7.398,1084 25.396,1085 3.731,1086 15.533,1087 19.799,1088 0.054,1089 31.146,1090 15.286,1091 2.033,1092 6.448,1093 27.246,1094 2.813,1095 16.657,1096 21.296,1097 0.048,1098 33.48,1099 16.399,1100 1.967,1101 6.002,1102 29.099,1103 2.663,1104 17.757,1105 22.766,1106 0.035,1107 35.803,1108 17.489,1109 20279,1110 28900,1111 27.622,1112 44.694,1113 58.845,1114 58.398,1115 58.572,1116 58.331,1117 58.362,1118 73.938,1119 2.915,1120 165.366,1121 56.559,1122 5.568,1123 5.337,1124 6.248,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1132 1.509,1133 1.497,1134 1.502,1135 1.496,1136 1.496,1137 1.896,1138 0.075,1139 4.24,1140 1.45,1141 4.156,1142 4.194,1143 4.115,1144 4.064,1145 5.135,1146 4.072,1147 4.027,1148 4.064,1149 3.955,1150 3.961,1151 4.927,1152 3.955,1153 3.877,1154 3.94,1155 3.79,1156 3.738,1157 4.758,1158 3.733,1159 3.825,1160 3.9,1161 3.75,1162 3.588,1163 4.376,1164 3.625,1165 3.567,1166 3.638,1167 3.425,1168 3.409,1169 4.258,1170 3.408,1171 3.457,1172 3.522,1173 3.319,1174 3.331,1175 4.174,1176 3.319,1177 3.309,1178 3.378,1179 3.192,1180 3.148,1181 3.948,1182 3.151,1183 3.2,1184 3.288,1185 3.032,1186 2.995,1187 3.819,1188 2.992,1189 0.117,1190 0.086,1191 0.168,1192 0.105,1193 0.08,1194 4.568,1195 0.116,1196 3.337,1197 0.021,1198 6.566,1199 0.267,1200 4.099,1201 0.079,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.087,1210 2.064,1211 1.468,1212 2.074,1213 1.906,1214 1.877,1215 2.036,1216 2.042,1217 1.287,1218 2.043,1219 1.862,1220 1.806,1221 2.006,1222 1.966,1223 1.179,1224 1.981,1225 1.678,1226 1.621,1227 1.889,1228 1.848,1229 1.173,1230 1.866,1231 1.58,1232 1.516,1233 1.819,1234 1.767,1235 1.12,1236 1.786,1237 1.413,1238 1.341,1239 1.61,1240 1.665,1241 0.837,1242 1.649,1243 1.349,1244 1.284,1245 1.522,1246 1.553,1247 0.825,1248 1.56,1249 1.188,1250 1.107,1251 1.513,1252 1.442,1253 0.671,1254 1.446,1255 4.369,1257 5.687,1258 3.434,1259 7.191,1260 5.733,1261 8.779,1262 7.774,1263 10.413,1271 12.244,1272 3.884,1275 1.379,1276 2.665,1280 41.504,1281 90.858,1282 234.214,1283 319.541,1284 360.438,1285 373.947,1286 375.947,1287 41.328,1288 8.722,1289 61.77,1290 61.77,1291 33,1292 12.772,1293 4.459,1294 3.524,1295 45.651,1296 196,1297 162,1298 0.11,1299 249.415,1300 417.44,1301 600.332,1302 103435,1304 22.744,1305 0.669,1306 0.582,1307 22.744,1308 19.788,1309 16.832,1310 0.432,1311 0.329,1312 12.692,1313 16.352,1314 12.46,1315 10.262,1316 16.832,1317 12.819,1318 14.82,1319 0.274,1320 0.185,1321 14.82,1322 10,1323 13.25,1324 0.179,1325 0.107,1326 13.25,1327 7.881,1328 11.239,1329 0.116,1330 0.06,1331 11.239,1332 5.853,1333 8.615,1334 0.076,1335 0.036,1336 8.615,1337 4.106,1338 0.183,1339 104.085,1340 0.19,1341 32.554,1342 0.278,1343 186,1344 395.246,1345 196.824,1346 395.394,1347 565.74,1348 376,1349 221,1350 437.772,1351 233.462,1352 446.891,1353 652.44,1354 423,1355 8.923} {0 CHEMBL356829,1 1.577,2 15.857,3 2.244,4 5.034,5 161.797,6 7.288,7 0.267,8 4.45,9 4.573,10 3.978,11 3.951,12 5.594,13 3.931,14 5.004,15 5.179,16 4.348,17 4.373,18 6.178,19 4.328,20 5.299,21 5.491,22 4.522,23 4.612,24 6.343,25 4.551,26 5.524,27 5.725,28 4.615,29 4.71,30 6.677,31 4.642,32 5.611,33 5.835,34 4.559,35 4.725,36 6.72,37 4.634,38 5.591,39 5.848,40 4.446,41 4.653,42 6.676,43 4.53,44 5.531,45 5.807,46 4.209,47 4.504,48 6.508,49 4.369,50 5.32,51 5.586,52 4.187,53 4.339,54 6.325,55 4.226,56 0.179,57 1.145,58 16.655,59 7.184,60 18.532,61 9.593,62 0.577,63 1.82,64 31.725,65 12.219,66 88.066,67 16.854,68 0.425,69 2.369,70 43.083,71 16.415,72 71.404,73 22.707,74 0.927,75 2.716,76 56.811,77 19.996,78 146.923,79 27.185,80 1.097,81 2.861,82 63.933,83 20.923,84 172.257,85 29.44,86 1.033,87 2.801,88 63.466,89 20.459,90 171.669,91 30.463,92 1.103,93 2.496,94 62.214,95 17.955,96 173.54,97 27.048,98 0.817,99 2.057,100 49.365,101 15.744,102 111.572,103 23.072,104 92,105 64,106 0.24,107 0.565,108 0.725,109 0.8,110 0.828,111 0.832,112 3.765,113 0.931,114 -3.76,115 -3.73,116 -3.54,119 39.2,120 2,121 3,122 1,123 1,124 1,125 4,135 2,137 2,140 9,141 2,142 1,156 3,161 1,162 1,163 1,164 2,169 16,171 2,172 9,173 1,174 2,176 7,178 22,180 1,182 15,186 3,189 19,191 1,193 17,195 3,196 2,197 7,198 1,199 17,201 3,202 2,203 13,208 6,211 8,213 2,214 2,215 15,217 1,218 2,219 1,220 11,221 1,222 8,224 3,226 8,231 1,233 4,236 2,237 8,239 1,240 4,242 2,244 7,246 1,248 4,249 7,251 2,252 8,254 2,256 4,259 3748,260 27.835,261 27.835,262 27.835,263 27.835,264 27.835,265 25.092,266 41.527,267 16.129,268 28.252,269 22.014,270 22.014,271 22.014,272 22.014,273 22.014,274 17.854,275 54.07,276 7.375,277 22.49,278 4.727,279 2.59,280 1.542,281 1.045,282 0.864,283 0.839,284 4.451,290 1407,291 4.95,295 640.426,302 2.116,303 61.632,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 92.5,315 666,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.11,322 2.612,323 14.979,324 3.59,325 4.641,326 3.888,327 7.131,328 4.344,329 3.348,330 3.972,331 2.491,332 12.406,333 3.333,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.36,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 1.058,350 8.257,351 2.681,352 3.767,353 3.136,354 5.702,355 3.382,356 2.456,357 3.208,358 0.98,359 7.456,360 2.325,361 3.631,362 3.053,363 5.46,364 3.352,365 2.373,366 3.04,367 0.8,368 6.944,369 2.278,370 3.461,371 2.764,372 5.337,373 3.167,374 2.176,375 2.483,376 0.759,377 6.11,378 2.144,379 3.347,380 2.744,381 5.011,382 3.039,383 2.056,384 2.433,385 0.473,386 5.614,387 2.005,388 3.097,389 2.372,390 4.616,391 2.697,392 1.716,393 2.154,394 0.359,395 4.446,396 1.675,397 3.014,398 2.154,399 4.579,400 2.616,401 1.644,402 2.114,404 4.065,405 1.579,406 3.005,407 2.009,408 4.366,409 2.48,410 1.48,411 2.104,413 3.712,414 1.472,415 2.597,416 1.702,417 3.802,418 2.35,419 1.351,420 1.598,422 2.968,423 1.345,424 2.5,425 1.632,426 3.767,427 2.153,428 1.167,429 1.5,431 2.757,432 1.146,433 2.5,434 1.461,435 3.678,436 2.045,437 1.044,438 1.5,440 2.611,441 1.041,442 2.492,443 1.264,444 3.582,445 2,446 1,447 1.458,449 2.372,450 1,451 19.5,452 0.464,453 1.174,454 0.028,455 49,456 1.167,457 22.5,458 0.536,459 26.5,460 0.631,461 46.357,462 1.104,463 47.1,464 0.596,465 47.443,466 1.13,467 9.876,468 0.235,469 10.208,470 0.243,471 0.183,472 0.026,473 0.323,479 0.6,480 1.272,481 0.805,482 1.113,483 0.55,484 1.01,485 0.607,486 1.069,487 0.816,488 0.976,489 0.415,490 0.937,491 0.777,492 1.134,493 0.926,494 1.113,495 0.669,496 1.048,497 1.066,498 1.076,499 1.044,500 1.117,501 1.052,502 1.089,503 1.126,504 1.09,505 1.093,506 1.067,507 1.097,508 1.077,509 0.717,510 1.115,511 0.969,512 1.1,513 0.658,514 1.085,515 1.073,516 0.915,517 1.071,518 0.903,519 1.041,520 0.964,521 0.791,522 0.967,523 0.866,524 0.997,525 0.889,526 0.959,527 9,528 0.305,529 6,530 4.063,531 3.08,532 2.319,533 1.11,534 0.766,535 0.641,536 0.309,537 30065,538 87970,539 1.987,540 46.8,541 1,542 20,545 4,547 10,548 2,550 1.81,551 1.819,552 3.821,553 1.415,559 124.549,560 1.577,561 3.714,562 4.762,563 5.259,564 5.44,565 5.465,566 3.3,567 4.755,568 5.367,569 4.109,570 3537.55,571 9.476,572 65518.1,577 497.999,578 1.646,579 5.294,580 0.2,581 0.008,582 0.094,583 0.054,584 0.039,585 0.032,586 0.018,587 0.016,588 0.013,589 0.006,590 0.481,591 0.17,592 0.63,593 1.005,594 242.736,595 0.057,596 0.005,597 0.037,598 0.027,599 -0.02,600 0.026,601 0.142,602 0.08,603 0.083,604 0.105,605 0.178,606 0.087,607 -0.059,608 -0.018,609 -0.021,610 -0.044,611 -0.009,612 -0.021,613 -0.062,614 -0.047,615 -0.079,616 -0.089,617 -0.049,618 -0.092,619 -0.117,620 -0.103,621 -0.108,622 -0.071,623 -0.101,624 -0.088,625 0.07,626 -0.141,627 0.004,628 -0.123,629 0.084,630 -0.082,631 -0.137,632 0.016,633 -0.055,634 0.025,635 -0.124,636 0.009,637 0.083,638 -0.036,639 0.131,640 -0.033,641 -0.015,642 0.039,643 2.504,644 6.486,645 0.571,646 52.785,647 1.008,648 1.132,649 2.532,650 6.411,651 0.645,652 3.829,653 4.174,654 4.477,655 4.736,656 4.956,657 5.037,658 5.075,659 5.118,660 5.094,661 4.942,662 9.369,663 0.618,664 575.73,665 3.829,666 5.389,667 6.256,668 7.154,669 8.045,670 8.951,671 9.85,672 10.761,673 11.664,674 12.576,675 6.3,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 79,716 19,717 2,718 45,720 82,721 31,722 12,723 3,724 9,725 6,730 4,731 4,736 2,737 1,739 1,740 2,741 1,743 3,745 19,746 12,747 1,750 7,752 1,755 5,759 7,764 37,765 10,766 4,767 11,773 5,777 1,778 6,793 4,804 1,805 1,808 1,810 2,811 2,814 1,815 1,819 4,823 3,827 42,828 1,833 7,834 2,835 1,837 1,838 1,839 1,847 7.6,850 3,852 1,853 2,854 23.083,855 14.817,856 9.389,857 4.687,858 2.648,859 1.322,860 0.943,861 10.074,862 10.861,863 4.078,864 4.625,865 5.112,866 5.585,867 6.039,868 6.25,869 6.526,870 6.808,871 6.997,872 6.744,873 1,874 75,875 15.699,877 6.83,878 8.006,879 29.311,881 24.165,883 2.506,884 105.25,888 388.446,889 167.459,890 77.713,892 137.182,895 167.459,896 525.628,897 77.713,898 34.204,899 66.934,900 103.297,901 97.549,902 29.623,904 388.446,905 50.747,906 388.446,907 245.172,908 137.182,911 247.193,912 227.688,913 50.747,915 105.72,916 128.269,917 11.184,919 388.446,920 214.895,921 167.459,924 388.446,925 53.64,926 122.614,927 36.022,928 170.079,929 388.446,930 214.895,931 167.459,933 0.585,934 0.357,935 0.195,936 0.106,937 28,938 15,939 0.134,940 11,942 1,943 4.873,944 422.653,946 24,947 212.477,951 31.265,952 13.533,953 6.713,955 209.225,956 15.54,961 1.433,963 68.919,964 770.8,965 58,967 -0.504,970 61.063,974 0.449,975 79.61,976 89.391,977 0.25,978 0.589,979 0.755,980 0.834,981 0.863,982 0.867,983 5.347,984 2.056,985 6.279,986 6.11,987 4.86,988 5.313,989 3.48,990 7.177,991 4.825,992 6.563,993 1.716,994 7.904,995 5.614,996 4.635,997 5.223,998 3.058,999 8.513,1000 4.602,1001 7.897,1002 1.644,1003 9.65,1004 4.446,1005 6.558,1006 7.443,1007 4.814,1008 11.642,1009 6.503,1010 9.268,1011 1.48,1012 11.475,1013 4.065,1014 7.186,1015 8.144,1016 5.149,1017 13.889,1018 7.142,1019 10.676,1020 1.351,1021 13.353,1022 3.712,1023 8.632,1024 9.883,1025 6.501,1026 16.653,1027 8.574,1028 12.109,1029 1.167,1030 15.273,1031 2.968,1032 9.627,1033 10.928,1034 7.134,1035 19.203,1036 9.579,1037 13.561,1038 1.044,1039 17.222,1040 2.757,1041 10.922,1042 12.48,1043 8.299,1044 21.894,1045 10.868,1046 3.6,1047 1,1048 19.196,1049 2.611,1050 12.071,1051 13.688,1052 9.072,1053 24.537,1054 12.023,1055 3.348,1056 14.979,1057 21.187,1058 2.372,1059 13.326,1060 15.156,1061 10.14,1062 27.221,1063 13.276,1064 2.763,1065 12.406,1066 23.193,1067 4.11,1068 14.538,1069 16.446,1070 10.987,1071 29.896,1072 14.49,1073 2.676,1074 9.057,1075 25.211,1076 3.972,1077 15.788,1078 17.875,1079 12.003,1080 32.583,1081 15.738,1082 2.456,1083 8.257,1084 27.238,1085 3.91,1086 17.027,1087 19.209,1088 12.891,1089 35.271,1090 16.977,1091 2.373,1092 7.456,1093 29.272,1094 3.485,1095 18.28,1096 20.618,1097 13.877,1098 37.964,1099 18.228,1100 2.176,1101 6.944,1102 31.311,1103 3.208,1104 19.531,1105 21.977,1106 14.789,1107 40.658,1108 19.479,1109 29118,1110 50054,1111 28.838,1112 50.938,1113 67.954,1114 71.149,1115 72.165,1116 67.142,1117 67.173,1118 84.32,1119 21.784,1120 199.364,1121 65.971,1122 5.705,1123 6.2,1124 7.745,1125 5.639,1126 5.6,1127 7.11,1128 4.612,1129 22.771,1130 5.59,1131 27.276,1132 1.51,1133 1.581,1134 1.604,1135 1.492,1136 1.493,1137 1.874,1138 0.484,1139 4.43,1140 1.466,1141 4.071,1142 4.1,1143 4.024,1144 3.979,1145 7.815,1146 3.983,1147 3.995,1148 4.026,1149 3.931,1150 3.918,1151 7.439,1152 3.916,1153 3.871,1154 3.902,1155 3.836,1156 3.718,1157 7.431,1158 3.733,1159 3.766,1160 3.822,1161 3.658,1162 3.633,1163 7.428,1164 3.631,1165 3.622,1166 3.676,1167 3.529,1168 3.45,1169 6.999,1170 3.455,1171 3.485,1172 3.52,1173 3.43,1174 3.316,1175 4.896,1176 3.324,1177 3.464,1178 3.49,1179 3.401,1180 3.094,1181 4.759,1182 3.157,1183 3.381,1184 3.429,1185 3.256,1186 3.083,1187 4.708,1188 3.126,1189 0.105,1190 0.093,1191 0.177,1192 0.102,1193 0.08,1194 4.705,1195 0.091,1196 4.2,1197 0.058,1198 7.943,1199 0.333,1200 4.599,1201 0.08,1202 3.6,1203 4.11,1204 2.612,1205 14.979,1206 3.59,1207 1.997,1208 1.974,1209 2.108,1210 2.117,1211 1.452,1212 2.102,1213 1.977,1214 1.949,1215 2.082,1216 2.089,1217 1.309,1218 2.094,1219 1.796,1220 1.765,1221 1.953,1222 1.991,1223 1.2,1224 1.957,1225 1.753,1226 1.7,1227 1.904,1228 1.913,1229 1.016,1230 1.924,1231 1.59,1232 1.533,1233 1.825,1234 1.792,1235 0.999,1236 1.801,1237 1.43,1238 1.389,1239 1.673,1240 1.649,1241 0.825,1242 1.64,1243 1.278,1244 1.226,1245 1.597,1246 1.632,1247 0.774,1248 1.594,1249 1.235,1250 1.192,1251 1.513,1252 1.598,1253 0.647,1254 1.549,1255 4.511,1257 5.849,1259 7.398,1261 9.049,1263 10.757,1265 4.89,1269 5.725,1271 4.551,1272 6.066,1273 5.183,1275 -0.768,1276 2.278,1277 -0.657,1280 48.825,1281 124.549,1282 293.391,1283 376.185,1284 415.469,1285 429.734,1286 431.734,1287 141.896,1288 8.213,1289 159.58,1290 159.58,1291 24,1292 13.092,1293 4.322,1294 3.807,1295 79.43,1296 240,1297 216,1298 0.158,1299 301.38,1300 549.68,1301 727.126,1302 48883,1304 30.441,1305 0.725,1306 0.575,1307 30.441,1308 24.145,1309 20.084,1310 0.446,1311 0.31,1312 13.754,1313 19.196,1314 13.363,1315 11.083,1316 20.084,1317 13.96,1318 18.168,1319 0.284,1320 0.168,1321 18.168,1322 10.739,1323 15.247,1324 0.175,1325 0.095,1326 15.247,1327 8.256,1328 12.766,1329 0.113,1330 0.054,1331 12.766,1332 6.065,1333 9.887,1334 0.07,1335 0.03,1336 9.887,1337 4.25,1338 0.255,1339 127.015,1340 0.186,1341 37.611,1342 0.416,1343 218,1344 687.681,1345 240.691,1346 654.684,1347 864.07,1348 604,1349 260,1350 615.721,1351 281.783,1352 619.246,1353 899.35,1354 578,1355 5.345} {0 CHEMBL356923,1 1.498,2 15.93,3 2.668,4 7.117,5 173.709,6 6.768,7 0.261,8 4.529,9 4.668,10 4.001,11 4.024,12 5.588,13 3.985,14 5.101,15 5.307,16 4.357,17 4.449,18 6.142,19 4.384,20 5.388,21 5.596,22 4.513,23 4.701,24 6.33,25 4.608,26 5.638,27 5.881,28 4.612,29 4.815,30 6.62,31 4.705,32 5.7,33 5.944,34 4.606,35 4.858,36 6.668,37 4.738,38 5.753,39 6.023,40 4.524,41 4.832,42 6.716,43 4.678,44 5.72,45 6.02,46 4.318,47 4.692,48 6.587,49 4.526,50 5.487,51 5.763,52 4.246,53 4.51,54 6.42,55 4.365,56 0.152,57 1.279,58 19.99,59 7.851,60 14.963,61 11.34,62 0.479,63 2.037,64 37.142,65 12.98,66 63.413,67 19.348,68 0.299,69 2.623,70 49.131,71 18.403,72 53.45,73 26.772,74 0.741,75 3.063,76 65.335,77 22.652,78 109.577,79 33.19,80 0.682,81 3.255,82 69.557,83 23.43,84 110.225,85 34.85,86 0.88,87 3.303,88 73.953,89 24.298,90 145.477,91 37.236,92 0.889,93 2.966,94 73.285,95 21.955,96 130.462,97 34.308,98 0.732,99 2.41,100 57.424,101 18.532,102 89.812,103 27.806,104 95,105 65,106 0.225,107 0.516,108 0.692,109 0.786,110 0.814,111 0.818,112 3.787,113 0.973,114 -4.12,115 -4.06,116 -3.85,119 37.9,120 2,121 3,122 1,123 1,124 3,125 5,135 2,137 2,140 9,141 2,142 1,156 2,164 2,169 16,171 1,172 8,174 2,176 7,178 22,182 12,186 3,189 19,193 15,195 3,196 2,197 7,199 17,202 1,203 11,208 6,211 8,214 2,215 14,218 2,219 1,220 11,222 8,226 7,231 1,233 4,236 2,237 8,240 4,242 2,244 7,248 4,249 7,252 7,254 2,256 4,259 4079,260 28.465,261 28.465,262 28.465,263 28.465,264 28.465,265 25.891,266 43.983,267 16.635,268 28.906,269 22.556,270 22.556,271 22.556,272 22.556,273 22.556,274 18.656,275 55.827,276 7.684,277 23.126,278 4.945,279 2.999,280 1.825,281 1.196,282 1.009,283 0.986,284 4.474,289 1,290 1444,291 5.05,295 657.998,302 2.128,303 48.749,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 93,315 685,316 4.645,317 3.897,318 7.651,319 4.501,320 3.506,321 4.113,322 2.612,323 14.051,324 3.491,325 4.583,326 3.777,327 7.138,328 4.349,329 3.353,330 3.911,331 1.36,332 12.443,333 3.337,334 4.242,335 3.712,336 6.296,337 3.738,338 2.763,339 3.849,340 1.058,341 9.188,342 2.704,343 4.105,344 3.553,345 5.943,346 3.704,347 2.699,348 3.497,349 1.058,350 8.263,351 2.691,352 3.769,353 3.157,354 5.712,355 3.381,356 2.453,357 3.209,358 0.8,359 7.484,360 2.329,361 3.572,362 2.781,363 5.362,364 3.355,365 2.375,366 2.865,367 0.8,368 6.943,369 2.278,370 3.4,371 2.745,372 5.142,373 3.13,374 2.174,375 2.485,376 0.759,377 5.835,378 2.087,379 3.366,380 2.481,381 5.058,382 3.075,383 2.097,384 2.416,385 0.359,386 5.752,387 2.035,388 3.143,389 2.376,390 4.678,391 2.873,392 1.926,393 2.193,395 4.703,396 1.806,397 3.031,398 2.154,399 4.569,400 2.729,401 1.75,402 2.14,404 4.569,405 1.705,406 3.021,407 2.022,408 4.517,409 2.523,410 1.539,411 2.065,413 4.077,414 1.51,415 2.644,416 1.703,417 3.802,418 2.351,419 1.352,420 1.685,422 2.971,423 1.346,424 2.518,425 1.632,426 3.775,427 2.203,428 1.208,429 1.5,431 2.795,432 1.2,433 2.5,434 1.269,435 3.68,436 2.068,437 1.072,438 1.5,440 2.669,441 1.065,442 2.5,443 1.099,444 3.594,445 2,446 1,447 1.499,449 2.372,450 1,451 20.233,452 0.471,453 1.201,454 0.028,455 48.25,456 1.122,457 21,458 0.488,459 27.25,460 0.634,461 50.658,462 1.178,463 48.767,464 0.561,465 46.02,466 1.07,467 9.635,468 0.224,469 10.923,470 0.254,471 0.189,472 0.025,473 0.306,479 0.579,480 1.426,481 0.879,482 1.191,483 0.515,484 1.091,485 0.694,486 1.005,487 0.878,488 0.911,489 0.415,490 0.902,491 0.767,492 1.202,493 1.006,494 1.183,495 0.626,496 1.131,497 0.884,498 1.018,499 0.944,500 1.031,501 0.898,502 1.005,503 1.004,504 1.126,505 1.054,506 1.104,507 0.954,508 1.089,509 0.697,510 1.134,511 1,512 1.132,513 0.621,514 1.112,515 1.02,516 0.893,517 0.978,518 0.89,519 0.94,520 0.916,521 0.885,522 1.001,523 0.952,524 1.053,525 1.005,526 1.023,527 9.5,528 0.289,529 5.556,530 3.813,531 3.28,532 2.34,533 1.254,534 0.809,535 0.662,536 0.369,537 31826,538 79196,539 1.987,540 50.6,541 1,542 28,545 3,547 10,548 2,550 1.816,551 1.823,552 3.844,553 0.71,559 130.346,560 1.498,561 3.444,562 4.618,563 5.247,564 5.434,565 5.457,566 3.298,567 4.961,568 5.4,569 4.124,570 3724.17,571 9.548,572 70179.1,577 560.536,578 1.634,579 5.33,580 0.207,581 0.007,582 0.085,583 0.052,584 0.042,585 0.03,586 0.019,587 0.015,588 0.013,589 0.007,590 0.476,591 0.33,592 0.63,593 1.072,594 250.103,595 0.11,596 -0.109,597 0.051,598 -0.018,600 -0.001,601 0.087,602 0.177,603 0.08,604 0.155,605 0.167,606 0.129,607 -0.053,608 -0.069,609 -0.065,610 -0.087,611 0.003,612 -0.076,613 0.028,614 0.004,615 0.029,616 -0.004,617 0.02,618 0.008,619 -0.085,620 -0.099,621 -0.079,622 -0.085,623 -0.05,624 -0.083,625 0.093,626 -0.149,627 -0.035,628 -0.142,629 0.088,630 -0.114,631 -0.082,632 0.02,633 0.015,634 0.038,635 -0.061,636 0.044,637 0.084,638 -0.062,639 0.037,640 -0.085,641 -0.028,642 -0.042,643 2.464,644 6.637,645 0.558,646 55.851,647 0.997,648 1.135,649 2.889,650 8.348,651 0.636,652 3.85,653 4.19,654 4.466,655 4.745,656 4.984,657 5.056,658 5.124,659 5.165,660 5.159,661 5.011,662 9.481,663 0.598,664 588.83,665 3.85,666 5.407,667 6.263,668 7.16,669 8.043,670 8.948,671 9.841,672 10.75,673 11.649,674 12.559,675 6.9,677 1,678 2,682 2,686 1,688 9,693 3,695 12,708 1,714 87,716 18,717 2,718 46,720 90,721 33,722 12,723 3,724 9,725 6,730 4,731 4,736 2,737 1,739 1,740 2,741 1,743 3,745 18,746 15,747 1,750 6,752 1,755 4,759 6,764 44,765 9,766 3,767 10,773 6,777 1,778 4,793 4,805 2,810 2,811 2,814 1,815 2,819 4,823 5,827 43,833 8,834 3,837 1,838 2,839 1,847 4.6,850 2,853 2,854 23.583,855 16.85,856 9.597,857 5.229,858 2.61,859 1.316,860 0.942,861 10.915,862 10.862,863 4.078,864 4.615,865 5.088,866 5.57,867 6.034,868 6.236,869 6.526,870 6.805,871 7.041,872 6.81,873 1,874 74,875 16.044,877 6.811,878 7.804,879 30.694,881 25.245,883 2.304,884 99.083,888 482.615,889 176.68,890 65.951,892 101.037,895 176.68,896 583.652,897 65.951,898 48.51,899 54.154,900 103.297,901 65.213,902 21.748,904 482.615,905 50.747,906 482.615,907 242.631,908 101.037,911 341.362,912 191.543,913 50.747,915 96.063,916 135.384,917 11.184,919 482.615,920 166.988,921 176.68,924 482.615,925 48.554,926 140.044,927 54.032,928 101.037,929 482.615,930 166.988,931 176.68,933 0.582,934 0.343,935 0.192,936 0.11,937 28,938 15,939 0.122,940 11,942 1,943 4.953,944 435.116,946 24,947 215.329,951 32.561,952 14.415,953 7.6,955 161.318,956 16.875,961 1.998,963 54.032,964 826.283,965 58,967 -0.464,970 49.054,974 1.586,975 86.708,976 98.716,977 0.233,978 0.534,979 0.717,980 0.814,981 0.843,982 0.847,983 5.347,984 2.097,985 6.282,986 5.835,987 4.875,988 5.303,989 3.126,990 7.162,991 4.834,992 6.555,993 1.926,994 7.892,995 5.752,996 4.635,997 5.19,998 2.584,999 8.431,1000 4.588,1001 7.881,1002 1.75,1003 9.617,1004 4.703,1005 6.555,1006 7.415,1007 4.307,1008 11.537,1009 6.489,1010 9.242,1011 1.539,1012 11.417,1013 4.569,1014 7.148,1015 8.09,1016 4.56,1017 13.697,1018 7.091,1019 10.639,1020 1.352,1021 13.269,1022 4.077,1023 8.59,1024 9.839,1025 5.981,1026 16.42,1027 8.519,1028 12.06,1029 1.208,1030 15.158,1031 2.971,1032 9.548,1033 10.862,1034 6.569,1035 18.888,1036 9.488,1037 13.501,1038 1.072,1039 17.076,1040 2.795,1041 10.832,1042 12.42,1043 7.802,1044 21.522,1045 10.764,1046 3.506,1047 1,1048 19.014,1049 2.669,1050 11.949,1051 13.612,1052 8.551,1053 24.091,1054 11.888,1055 3.353,1056 14.051,1057 20.97,1058 2.372,1059 13.186,1060 15.082,1061 9.672,1062 26.708,1063 13.121,1064 2.763,1065 12.443,1066 22.938,1067 4.113,1068 14.37,1069 16.36,1070 10.51,1071 29.311,1072 14.307,1073 2.699,1074 9.188,1075 24.916,1076 3.911,1077 15.598,1078 17.788,1079 11.564,1080 31.929,1081 15.531,1082 2.453,1083 8.263,1084 26.903,1085 3.849,1086 16.81,1087 19.114,1088 12.452,1089 34.546,1090 16.743,1091 2.375,1092 7.484,1093 28.897,1094 3.497,1095 18.04,1096 20.521,1097 13.468,1098 37.168,1099 17.97,1100 2.174,1101 6.943,1102 30.896,1103 3.209,1104 19.266,1105 21.873,1106 14.386,1107 39.791,1108 19.193,1109 30876,1110 49142,1111 29.531,1112 55.319,1113 69.091,1114 71.813,1115 73.179,1116 68.381,1117 68.382,1118 84.454,1119 17.612,1120 200.894,1121 66.905,1122 5.645,1123 5.897,1124 7.453,1125 5.542,1126 5.506,1127 7.113,1128 4.612,1129 21.605,1130 5.491,1131 27.782,1132 1.502,1133 1.561,1134 1.591,1135 1.487,1136 1.487,1137 1.836,1138 0.383,1139 4.367,1140 1.454,1141 4.074,1142 4.106,1143 4.025,1144 3.982,1145 7.815,1146 3.985,1147 3.998,1148 4.034,1149 3.925,1150 3.922,1151 7.432,1152 3.918,1153 3.873,1154 3.904,1155 3.838,1156 3.719,1157 7.426,1158 3.735,1159 3.767,1160 3.823,1161 3.658,1162 3.638,1163 6.999,1164 3.634,1165 3.641,1166 3.711,1167 3.539,1168 3.463,1169 4.768,1170 3.467,1171 3.556,1172 3.631,1173 3.444,1174 3.346,1175 4.72,1176 3.359,1177 3.489,1178 3.562,1179 3.423,1180 3.263,1181 4.53,1182 3.264,1183 3.456,1184 3.489,1185 3.321,1186 3.093,1187 4.376,1188 3.156,1189 0.101,1190 0.085,1191 0.166,1192 0.098,1193 0.076,1194 4.645,1195 0.089,1196 3.897,1197 0.057,1198 7.651,1199 0.305,1200 4.501,1201 0.076,1202 3.506,1203 4.113,1204 2.612,1205 14.051,1206 3.491,1207 1.997,1208 1.975,1209 2.128,1210 2.118,1211 1.495,1212 2.113,1213 1.988,1214 1.954,1215 2.083,1216 2.099,1217 1.311,1218 2.099,1219 1.798,1220 1.766,1221 1.953,1222 1.993,1223 1.213,1224 1.958,1225 1.757,1226 1.703,1227 1.907,1228 1.914,1229 1.016,1230 1.925,1231 1.615,1232 1.548,1233 1.855,1234 1.829,1235 1.001,1236 1.841,1237 1.496,1238 1.428,1239 1.775,1240 1.761,1241 0.927,1242 1.765,1243 1.444,1244 1.367,1245 1.706,1246 1.698,1247 0.825,1248 1.704,1249 1.303,1250 1.212,1251 1.641,1252 1.631,1253 0.783,1254 1.58,1255 4.533,1257 5.866,1259 7.403,1261 9.04,1263 10.735,1265 9.438,1271 7.395,1272 8.955,1275 -0.66,1276 4.76,1277 0.147,1280 51.997,1281 130.346,1282 299.603,1283 401.729,1284 456.497,1285 472.762,1286 474.762,1287 129.61,1288 8.252,1289 122.53,1290 122.53,1291 24,1292 13.077,1293 4.248,1294 3.7,1295 82.373,1296 247,1297 228,1298 0.159,1299 322.294,1300 580.34,1301 778.156,1302 51007,1304 31.148,1305 0.724,1306 0.602,1307 31.148,1308 25.905,1309 20.557,1310 0.447,1311 0.324,1312 14.713,1313 19.729,1314 14.167,1315 11.85,1316 20.557,1317 14.919,1318 18.727,1319 0.288,1320 0.183,1321 18.727,1322 11.898,1323 15.117,1324 0.176,1325 0.101,1326 15.117,1327 8.669,1328 12.834,1329 0.113,1330 0.058,1331 12.834,1332 6.592,1333 10.287,1334 0.071,1335 0.033,1336 10.287,1337 4.789,1338 0.256,1339 129.212,1340 0.184,1341 38.308,1342 0.418,1343 222,1344 618.876,1345 241.265,1346 598.761,1347 798.69,1348 554,1349 262,1350 575.511,1351 281.464,1352 584.83,1353 845.64,1354 544,1355 4.29} {0 CHEMBL357007,1 1.324,2 14.871,3 4.018,4 16.148,5 132.212,6 6.279,7 0.441,8 4.269,9 4.422,10 3.703,11 3.763,12 5.198,13 3.71,14 4.857,15 5.085,16 4.019,17 4.181,18 5.655,19 4.095,20 5.104,21 5.354,22 4,23 4.357,24 5.822,25 4.212,26 5.269,27 5.558,28 3.942,29 4.412,30 5.918,31 4.222,32 5.289,33 5.604,34 3.855,35 4.338,36 5.888,37 4.128,38 5.17,39 5.494,40 3.832,41 4.212,42 5.788,43 4.04,44 4.987,45 5.25,46 3.81,47 4.179,48 5.719,49 4.018,50 5.105,51 5.415,52 3.65,53 4.166,54 5.728,55 3.961,56 0.108,57 1.024,58 16.572,59 5.971,60 13.971,61 9.187,62 0.298,63 1.631,64 29.986,65 9.746,66 21.754,67 15.463,68 0.273,69 1.93,70 37.683,71 13.441,72 25.963,73 20.743,74 0.326,75 2.079,76 43.972,77 16.084,78 31.332,79 24.567,80 0.319,81 1.996,82 44.59,83 15.952,84 32.189,85 24.648,86 0.392,87 1.795,88 40.197,89 12.701,90 29.831,91 20.481,92 0.279,93 1.663,94 33.498,95 11.838,96 26.964,97 18.268,98 0.333,99 1.682,100 37.424,101 12.723,102 28.127,103 19.933,104 15,105 46,106 0.21,107 0.533,108 0.752,109 0.812,110 0.826,111 0.826,112 3.471,113 1.024,114 -5.29,115 -5.18,116 -4.84,119 37.3,120 2,121 5,124 1,125 4,127 1,134 1,135 1,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 9,171 2,172 8,176 3,178 10,182 4,186 3,189 7,192 1,193 7,197 1,199 7,203 8,206 1,211 6,215 6,218 1,222 5,226 5,229 2,233 6,236 1,237 5,242 2,244 3,249 3,256 4,259 1722,260 21.137,261 21.137,262 21.137,263 21.137,264 21.137,265 19.06,266 28.664,267 12.674,268 21.587,269 16.797,270 16.797,271 16.797,272 16.797,273 16.797,274 13.775,275 36.471,276 6.033,277 17.521,278 4.742,279 2.713,280 1.333,281 0.952,282 0.87,283 0.87,284 4.168,289 1,290 999,291 3.937,294 169.097,295 204.999,298 144.3,302 2.343,303 11.337,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 65,315 461,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.074,327 6.095,328 3.767,329 2.823,330 3.731,331 0.8,332 8.884,333 2.666,334 3.828,335 2.885,336 6.029,337 3.689,338 2.752,339 2.918,340 0.68,341 8.588,342 2.577,343 3.651,344 2.755,345 5.316,346 3.333,347 2.409,348 2.817,350 6.864,351 2.25,352 3.451,353 2.651,354 5.127,355 3.208,356 2.214,357 2.797,359 6.001,360 2.177,361 3.373,362 2.185,363 4.662,364 3.012,365 2.033,366 2.593,368 5.187,369 1.984,370 3.246,371 1.797,372 4.514,373 2.731,374 1.777,375 2.391,377 4.655,378 1.691,379 2.746,380 1.766,381 4.195,382 2.527,383 1.558,384 1.85,386 3.888,387 1.507,388 2.57,389 1.387,390 4.13,391 2.299,392 1.316,393 1.571,395 3.471,396 1.292,397 2.417,398 1.292,399 3.465,400 2.087,401 1.12,402 1.388,404 2.513,405 1.081,406 2.244,407 1.123,408 3.414,409 1.984,410 1,411 1.187,413 2.275,414 0.983,415 2.118,416 1.077,417 3.316,418 1.88,419 0.912,420 1,422 2.101,423 0.881,424 2,425 0.921,426 3.182,427 1.81,428 0.839,429 0.927,431 1.827,432 0.813,433 1.996,434 0.655,435 3.072,436 1.546,437 0.618,438 0.895,440 1.425,441 0.562,442 1.84,443 0.618,444 3,445 1.518,446 0.587,447 0.773,449 1.372,450 0.556,451 14.9,452 0.481,453 0.661,454 0.021,455 33.25,456 1.073,457 13,458 0.419,459 20.25,460 0.653,461 32.864,462 1.06,463 34.9,464 0.521,465 21.787,466 0.703,467 6.228,468 0.201,469 8.869,470 0.286,471 0.101,473 0.282,479 0.918,480 1.559,481 0.964,482 1.275,483 0.783,484 1.148,485 1.309,486 1.057,487 1.019,488 0.951,489 0.773,490 0.956,491 1.063,492 1.138,493 1.136,494 1.159,495 0.847,496 1.155,497 0.758,498 1.022,499 1.011,500 1.093,501 0.705,502 1.079,503 0.583,504 1.007,505 0.853,506 1.011,507 0.67,508 0.967,509 1.062,510 0.752,511 0.826,512 0.718,513 0.691,514 0.744,515 0.871,516 1.19,517 1.103,518 1.216,519 0.952,520 1.188,521 0.956,522 0.901,523 1.011,524 0.973,525 1.067,526 0.993,527 5.5,528 0.137,529 3.556,530 1.382,531 0.966,532 0.903,533 0.547,534 0.3,535 0.172,536 0.209,537 15516,538 30074,539 2.104,540 53.7,541 8,542 16,543 1,544 2,545 1,547 4,548 4,550 1.729,551 2,552 3.828,553 -0.393,559 88.704,560 1.324,561 3.353,562 4.733,563 5.114,564 5.196,565 5.196,566 3.272,567 4.503,568 4.923,569 4.044,570 1880.41,571 8.559,572 29126.4,577 406.428,578 1.277,579 4.899,580 0.162,581 0.006,582 0.077,583 0.032,584 0.025,585 0.026,586 0.015,587 0.009,588 0.006,589 0.009,590 0.366,591 0.33,592 1,593 1.285,594 166.476,595 0.165,596 -0.24,597 0.086,598 -0.101,599 0.215,600 -0.029,601 -0.032,602 0.118,603 0.024,604 0.088,605 0.122,606 0.066,607 -0.136,608 -0.059,609 -0.143,610 -0.103,611 -0.061,612 -0.12,613 0.008,614 -0.056,615 -0.051,616 -0.071,617 0.053,618 -0.067,619 0.136,620 -0.118,621 0.093,622 -0.025,623 0.13,624 0.021,625 -0.001,626 0.162,627 0.156,628 0.207,629 0.142,630 0.199,631 0.046,632 -0.15,633 -0.117,634 -0.183,635 -0.03,636 -0.169,637 -0.04,638 0.028,639 -0.042,640 -0.008,641 -0.124,642 -0.022,643 0.591,644 0.927,645 0.645,646 39.217,647 0.983,648 1.138,649 4.064,650 16.517,651 0.634,652 3.555,653 3.85,654 4.094,655 4.317,656 4.466,657 4.595,658 4.71,659 4.796,660 4.836,661 4.913,662 8.682,663 0.583,664 420.67,665 3.555,666 5.081,667 5.916,668 6.774,669 7.627,670 8.492,671 9.354,672 10.224,673 11.092,674 11.966,675 9,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 67,716 16,717 1,718 34,720 70,721 25,722 10,723 3,724 3,730 4,731 5,736 2,740 3,743 6,745 12,746 13,750 1,757 1,759 1,764 36,765 4,766 1,767 6,773 6,777 0.75,788 1,792 2,793 2,796 1,810 1,811 1,815 2,819 3,823 3,827 31,833 9,837 1,838 2,844 1,854 15.5,855 12.667,856 6.861,857 4.28,858 2.902,859 1.369,860 0.975,861 7.467,862 10.767,863 3.773,864 4.324,865 4.868,866 5.433,867 5.844,868 6.275,869 6.731,870 7.157,871 7.349,872 7.575,873 0.9,874 43,875 11.474,877 4.692,878 7.36,879 23.067,881 19.096,883 1.86,884 57.667,888 411.989,889 125.177,890 58.259,895 125.177,896 411.989,897 58.259,898 26.047,899 21.095,900 46.952,901 74.105,902 36.634,903 13.915,904 376.675,906 411.989,907 183.436,911 317.82,912 94.169,915 80.916,916 59.718,917 42.802,919 411.989,920 58.259,921 125.177,924 411.989,925 34.94,926 98.384,927 16.786,928 33.326,929 411.989,930 58.259,931 125.177,933 0.574,934 0.323,935 0.167,936 0.083,937 21,938 9,939 0.129,940 9,941 1,942 1.1,943 4.467,944 262.65,945 0.1,946 20,947 143.58,951 22.103,952 10.473,953 5.779,954 2.506,955 39.575,956 12.154,957 7.843,958 3.427,961 2.507,962 1.955,963 16.786,964 595.425,965 42.5,972 2.353,974 1.424,975 65.865,976 76.218,977 0.218,978 0.553,979 0.78,980 0.843,981 0.857,982 0.857,983 5.002,984 1.558,985 5.878,986 4.655,987 4.533,988 5.011,989 1.347,990 6.642,991 4.452,992 6.173,993 1.316,994 7.407,995 3.888,996 4.007,997 4.718,998 0.57,999 7.466,1000 3.878,1001 7.456,1002 1.12,1003 9.036,1004 3.471,1005 6.08,1006 7.156,1007 0.854,1008 10.537,1009 5.92,1010 8.777,1011 1,1012 10.727,1013 2.513,1014 6.415,1015 7.809,1016 0.479,1017 12.231,1018 6.207,1019 10.135,1020 0.912,1021 12.459,1022 2.275,1023 7.909,1024 9.669,1025 0.553,1026 14.796,1027 7.677,1028 11.518,1029 0.839,1030 14.219,1031 2.101,1032 8.641,1033 10.775,1034 0.346,1035 16.843,1036 8.371,1037 12.922,1038 0.618,1039 15.999,1040 1.827,1041 9.9,1042 12.41,1043 0.357,1044 19.24,1045 9.609,1046 3.118,1047 0.587,1048 17.795,1049 1.425,1050 10.824,1051 13.733,1052 0.237,1053 21.438,1054 10.505,1055 2.823,1056 10.431,1057 19.603,1058 1.372,1059 11.987,1060 15.281,1061 0.229,1062 23.778,1063 11.649,1064 2.752,1065 8.884,1066 21.419,1067 4.518,1068 13.005,1069 16.702,1070 0.158,1071 26.044,1072 12.646,1073 2.409,1074 8.588,1075 23.244,1076 3.731,1077 14.13,1078 18.218,1079 0.146,1080 28.369,1081 13.755,1082 2.214,1083 6.864,1084 25.074,1085 2.918,1086 15.194,1087 19.684,1088 0.104,1089 30.668,1090 14.804,1091 2.033,1092 6.001,1093 26.909,1094 2.817,1095 16.307,1096 21.19,1097 0.093,1098 32.991,1099 15.903,1100 1.777,1101 5.187,1102 28.749,1103 2.797,1104 17.395,1105 22.675,1106 0.068,1107 35.307,1108 16.978,1109 14750,1110 20872,1111 23.057,1112 42.455,1113 50.857,1114 49.896,1115 50.99,1116 50.139,1117 50.152,1118 62.714,1119 4.56,1120 138.965,1121 48.162,1122 5.568,1123 5.197,1124 6.162,1125 5.159,1126 5.118,1127 7.518,1128 1.48,1129 17.095,1130 5.062,1131 13.673,1132 1.496,1133 1.468,1134 1.5,1135 1.475,1136 1.475,1137 1.845,1138 0.134,1139 4.087,1140 1.417,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.069,1147 3.91,1148 3.978,1149 3.795,1150 3.755,1151 4.927,1152 3.754,1153 3.829,1154 3.904,1155 3.784,1156 3.637,1157 4.483,1158 3.637,1159 3.741,1160 3.8,1161 3.613,1162 3.583,1163 4.363,1164 3.609,1165 3.565,1166 3.639,1167 3.421,1168 3.401,1169 4.258,1170 3.399,1171 3.415,1172 3.496,1173 3.268,1174 3.234,1175 4.121,1176 3.23,1177 3.267,1178 3.338,1179 3.128,1180 3.103,1181 3.893,1182 3.1,1183 3.111,1184 3.209,1185 2.886,1186 2.941,1187 3.696,1188 2.91,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.568,1195 0.133,1196 3.197,1197 0.024,1198 6.566,1199 0.307,1200 4.099,1201 0.09,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.078,1210 2.066,1211 1.442,1212 2.074,1213 1.868,1214 1.806,1215 2.035,1216 2.044,1217 1.284,1218 2.043,1219 1.758,1220 1.705,1221 1.973,1222 1.909,1223 1.184,1224 1.934,1225 1.664,1226 1.608,1227 1.878,1228 1.829,1229 1.114,1230 1.85,1231 1.456,1232 1.376,1233 1.733,1234 1.701,1235 0.908,1236 1.71,1237 1.397,1238 1.325,1239 1.583,1240 1.644,1241 0.825,1242 1.632,1243 1.297,1244 1.227,1245 1.525,1246 1.497,1247 0.756,1248 1.513,1249 1.153,1250 1.064,1251 1.513,1252 1.442,1253 0.631,1254 1.436,1255 4.234,1257 5.533,1258 3.045,1259 7.009,1260 5.283,1261 8.57,1262 7.286,1263 10.179,1265 6.667,1271 10.87,1275 0.742,1276 5.216,1280 39.03,1281 88.704,1282 224.661,1283 317.144,1284 342.654,1285 348.163,1286 348.163,1287 42.503,1288 7.865,1289 52.98,1290 52.98,1291 22,1292 12.508,1293 4.087,1294 3.248,1295 49.923,1296 164,1297 163,1298 0.146,1299 241.279,1300 406.44,1301 580.482,1302 32838,1304 21.631,1305 0.698,1306 0.62,1307 21.631,1308 19.219,1309 15.097,1310 0.444,1311 0.341,1312 11.47,1313 14.575,1314 11.08,1315 9.265,1316 15.097,1317 11.609,1318 13.393,1319 0.291,1320 0.199,1321 13.393,1322 9.14,1323 10.993,1324 0.186,1325 0.112,1326 10.993,1327 6.603,1328 8.894,1329 0.12,1330 0.063,1331 8.894,1332 4.684,1333 6.509,1334 0.076,1335 0.036,1336 6.509,1337 3.099,1338 0.241,1339 93.885,1340 0.208,1341 30.101,1342 0.372,1343 160,1344 352.558,1345 171.185,1346 351.073,1347 493.41,1348 332,1349 185,1350 375.476,1351 197.961,1352 385.639,1353 554.01,1354 360,1355 8.585} {0 CHEMBL357034,1 1.216,2 7.118,3 3.383,4 11.443,5 73.813,6 5.907,7 0.556,8 3.705,9 3.859,10 3.07,11 3.242,12 4.63,13 3.165,14 4.264,15 4.492,16 3.419,17 3.66,18 5.063,19 3.557,20 4.495,21 4.719,22 3.42,23 3.837,24 5.303,25 3.679,26 4.697,27 4.998,28 3.285,29 3.826,30 5.376,31 3.617,32 4.529,33 4.836,34 3.133,35 3.639,36 5.182,37 3.432,38 4.291,39 4.557,40 3.077,41 3.49,42 5.036,43 3.318,44 4.289,45 4.568,46 2.599,47 3.36,48 5.005,49 3.117,50 4.25,51 4.635,52 2.19,53 3.034,54 4.716,55 2.703,56 0.056,57 0.551,58 9.68,59 3.763,60 8.394,61 5.639,62 0.106,63 0.879,64 16.417,65 6.291,66 12.382,67 9.46,68 0.106,69 1.07,70 20.378,71 8.413,72 17.692,73 12.334,74 0.14,75 1.152,76 23.862,77 9.446,78 21.794,79 14.062,80 0.148,81 0.97,82 20.188,83 7.859,84 17.49,85 11.709,86 0.103,87 0.822,88 16.372,89 6.05,90 14.571,91 9.252,92 0.14,93 0.785,94 16.373,95 5.429,96 16.321,97 8.622,98 0.092,99 0.606,100 14.275,101 5.327,102 12.923,103 8.12,104 23,105 26,106 0.221,107 0.563,108 0.744,109 0.766,110 0.766,111 0.766,112 2.909,113 1.045,114 -4.17,115 -4.11,116 -3.89,119 38.5,120 3,121 1,123 1,124 1,125 1,140 3,141 3,149 1,150 1,169 10,176 4,178 14,186 4,189 13,197 2,199 10,207 1,208 2,211 5,220 5,222 3,231 2,242 3,259 307,260 11.049,261 11.049,262 11.049,263 11.049,264 11.049,265 9.958,266 12.613,267 6.518,268 11.194,269 8.855,270 8.855,271 8.855,272 8.855,273 8.855,274 7.134,275 11.374,276 3.041,277 9.038,278 4.07,279 2.193,280 1.2,281 1.078,282 1.078,283 1.078,284 3.554,287 1,288 1,289 1,290 245,291 3.317,294 35.468,295 40.393,298 63.81,302 1.197,303 6.407,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 35,315 121,316 4.606,317 3.552,318 7.123,319 4.34,320 3.341,321 4.517,322 0.4,323 11.737,324 3.337,325 4.302,326 3.107,327 6.517,328 3.999,329 3.012,330 3.585,332 10.22,333 2.974,334 3.403,335 2.233,336 5.136,337 3.044,338 2.057,339 2.729,341 6.037,342 2.03,343 3.035,344 1.699,345 4.64,346 2.627,347 1.646,348 2.213,350 4.854,351 1.613,352 2.71,353 1.64,354 4.139,355 2.408,356 1.455,357 1.783,359 3.445,360 1.386,361 2.461,362 1.243,363 3.453,364 2.136,365 1.168,366 1.456,368 2.556,369 1.127,370 2.091,371 0.811,372 3.208,373 1.656,374 0.704,375 0.948,377 1.573,378 0.669,379 1.318,380 0.307,381 2.814,382 1.132,383 0.172,384 0.193,386 0.288,387 0.164,388 0.791,389 -0.335,390 2.436,391 0.414,392 -0.558,393 -0.688,395 -1.245,396 -0.539,397 0.614,398 -0.701,399 2.178,400 0.156,401 -0.836,402 -1,404 -2.188,405 -0.827,406 0.137,407 -0.931,408 2,410 -1,411 -1,413 -2.708,414 -1,416 -1,417 2,419 -1,420 -1.115,422 -3,423 -1,425 -1,426 2,427 -0.131,428 -1.088,429 -1.375,431 -3,432 -1.04,433 -0.2,434 -1.328,435 1.575,436 -0.582,437 -1.533,438 -1.749,440 -4.055,441 -1.453,442 -0.324,443 -1.485,444 1.138,445 -0.679,446 -1.671,447 -2.114,449 -5.01,450 -1.658,451 8.3,452 0.488,453 0.566,454 0.033,455 18,456 1.059,457 8,458 0.471,459 10,460 0.588,461 15.601,462 0.918,463 19.3,464 0.495,465 10.43,466 0.614,467 3.27,468 0.192,469 4.751,470 0.279,471 0.241,472 0.06,473 0.241,479 1.235,480 1.318,481 1.082,482 1.16,483 1.359,484 1.119,485 1.231,486 0.905,487 0.905,488 0.84,489 0.817,490 0.849,491 0.866,492 1.268,493 1.197,494 1.295,495 1.059,496 1.273,497 0.759,498 0.984,499 0.948,500 1.002,501 1.011,502 0.99,503 0.695,504 0.933,505 0.901,506 0.957,507 0.854,508 0.945,509 1.064,510 1.279,511 1.092,512 1.183,513 0.84,514 1.147,515 2.069,516 1.29,517 1.613,518 1.375,519 1.836,520 1.449,521 0.511,522 0.75,523 0.642,524 0.717,525 0.505,526 0.693,527 4.5,529 2.444,530 1.229,531 0.813,532 0.778,533 0.405,534 0.137,535 0.094,537 2037,538 3563,539 1.947,540 56.4,541 9,542 8,543 1,545 2,547 2,550 1.572,551 1.774,552 2.826,553 0.295,555 1,557 1,559 47.42,560 1.216,561 3.093,562 4.086,563 4.207,564 4.207,565 4.207,566 2.257,567 3.69,568 4.054,569 2.946,570 400.644,571 6.872,572 3566.38,573 1,574 1,576 1,577 206.131,578 1.735,579 3.975,580 0.25,582 0.094,583 0.051,584 0.041,585 0.046,586 0.025,587 0.02,588 0.019,590 0.545,591 0.83,592 1,593 1.576,594 69.514,595 -0.022,596 -0.034,597 0.034,598 0.014,599 -0.192,600 0.025,601 -0.06,602 0.238,603 0.15,604 0.232,605 0.169,606 0.21,607 -0.085,608 -0.17,609 -0.183,610 -0.197,611 -0.1,612 -0.196,613 0.014,614 -0.041,615 0.005,616 -0.018,617 -0.066,618 -0.009,619 0.164,620 0.005,621 0.054,622 0.01,623 0.037,624 0.022,625 0.008,626 -0.247,627 -0.089,628 -0.18,629 0.132,630 -0.148,631 -0.493,632 -0.237,633 -0.589,634 -0.446,635 -0.609,636 -0.51,637 0.201,638 0.002,639 0.233,640 0.133,641 0.299,642 0.176,643 1.036,644 0.848,645 0.529,646 11.135,647 0.975,648 1.132,649 2.938,650 8.633,651 0.631,652 2.944,653 3.296,654 3.497,655 3.714,656 3.912,657 4.043,658 4.06,659 3.97,660 3.714,661 3.367,662 4.343,663 0.572,664 230.39,665 2.944,666 4.489,667 5.323,668 6.217,669 7.084,670 7.984,671 8.863,672 9.765,673 10.649,674 11.551,675 5.1,677 1,683 1,687 2,688 4,690 1,693 2,695 10,714 39,716 10,717 1,718 18,720 40,721 15,722 8,723 3,724 3,730 2,731 3,736 3,737 1,743 1,745 8,746 7,761 1,764 22,765 1,766 2,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,814 1,819 1,823 4,827 17,833 2,834 1,839 1,854 9.583,855 8.083,856 3.722,857 2.361,858 2.089,859 1.343,860 0.942,861 3.364,862 8.18,863 3.178,864 3.812,865 4.426,866 5.045,867 5.563,868 5.948,869 6.294,870 6.537,871 6.295,872 6.109,873 0.8,874 24,875 6.285,877 2.527,878 7.377,879 12.548,881 10.229,883 1.877,884 31.917,885 0.005,888 235.422,889 88.077,890 34.796,895 88.077,896 235.422,897 34.796,898 34.872,899 4.64,900 55.487,902 25.73,903 13.915,904 223.651,906 235.422,907 122.873,911 211.88,912 23.542,915 65.912,916 56.961,919 235.422,920 34.796,921 88.077,924 235.422,925 15.728,926 72.348,927 34.796,929 235.422,930 34.796,931 88.077,933 0.587,934 0.321,935 0.16,936 0.093,937 13,938 6,939 0.1,940 4,941 1,942 1.222,943 2.838,944 116.214,945 0.222,946 9,947 64.732,951 12.343,952 4.633,953 2.59,954 2.608,955 18.011,956 8.88,958 3.348,961 2.802,963 34.796,964 358.295,965 23,975 38.04,976 44.149,977 0.23,978 0.585,979 0.773,980 0.796,981 0.796,982 0.796,983 4.425,984 0.172,985 5.38,986 1.573,987 3.97,988 4.494,989 0.278,990 6.263,991 3.94,992 5.676,993 -0.558,994 7,995 0.288,996 3.892,997 4.527,999 7.582,1000 3.879,1001 7.027,1002 -0.836,1003 8.741,1004 -1.245,1005 5.707,1006 6.804,1007 0.05,1008 10.563,1009 5.669,1010 8.421,1011 -1,1012 10.553,1013 -2.188,1014 6.415,1015 7.65,1017 12.624,1018 6.391,1019 9.849,1020 -1,1021 12.407,1022 -2.708,1023 7.805,1024 9.46,1025 0.008,1026 15.223,1027 7.766,1028 11.299,1029 -1.088,1030 14.287,1031 -3,1032 8.811,1033 10.664,1035 17.528,1036 8.779,1037 12.765,1038 -1.533,1039 16.186,1040 -3,1041 10.062,1042 12.289,1043 0.001,1044 20.016,1045 10.022,1046 3.341,1047 -1.671,1048 18.097,1049 -4.055,1050 11.179,1051 13.656,1053 22.406,1054 11.141,1055 3.012,1056 11.737,1057 20.018,1058 -5.01,1059 12.384,1060 15.206,1062 24.861,1063 12.342,1064 2.057,1065 10.22,1066 21.944,1067 4.517,1068 13.543,1069 16.647,1071 27.283,1072 13.501,1073 1.646,1074 6.037,1075 23.876,1076 3.585,1077 14.734,1078 18.168,1080 29.73,1081 14.69,1082 1.455,1083 4.854,1084 25.812,1085 2.729,1086 15.911,1087 19.643,1089 32.168,1090 15.867,1091 1.168,1092 3.445,1093 27.75,1094 2.213,1095 17.1,1096 21.153,1098 34.615,1099 17.055,1100 0.704,1101 2.556,1102 29.691,1103 1.783,1104 18.284,1105 22.644,1107 37.059,1108 18.239,1109 2170,1110 2931,1111 11.326,1112 24.625,1113 27.409,1114 27.263,1115 27.988,1116 27.041,1117 27.109,1118 34.847,1119 0.8,1120 81.421,1121 26.6,1122 5.404,1123 5.552,1124 6.985,1125 5.34,1126 5.341,1127 7.517,1128 0.8,1129 18.778,1130 5.337,1131 9.592,1132 1.523,1133 1.515,1134 1.555,1135 1.502,1136 1.506,1137 1.936,1138 0.044,1139 4.523,1140 1.478,1141 4.143,1142 4.176,1143 4.099,1144 4.068,1145 4.962,1146 4.072,1147 3.732,1148 3.789,1149 3.615,1150 3.627,1151 4.412,1152 3.617,1153 3.563,1154 3.655,1155 3.395,1156 3.366,1157 4.323,1158 3.359,1159 3.266,1160 3.341,1161 3.109,1162 3.099,1163 4.048,1164 3.093,1165 3.064,1166 3.168,1167 2.866,1168 2.84,1169 3.774,1170 2.832,1171 2.874,1172 3.009,1173 2.653,1174 2.712,1175 3.499,1176 2.688,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.849,1184 2.923,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.256,1190 0.197,1191 0.396,1192 0.241,1193 0.186,1194 4.606,1195 0.251,1196 3.552,1197 0.022,1198 7.123,1199 0.652,1200 4.34,1201 0.185,1202 3.341,1203 4.517,1204 0.4,1205 11.737,1206 3.337,1207 1.99,1208 1.967,1209 2.1,1210 2.064,1211 1.324,1212 2.077,1213 1.688,1214 1.633,1215 1.908,1216 1.874,1217 1.162,1218 1.888,1219 1.61,1220 1.547,1221 1.824,1222 1.793,1223 0.956,1224 1.81,1225 1.372,1226 1.281,1227 1.641,1228 1.631,1229 0.687,1230 1.642,1231 1.061,1232 0.962,1233 1.417,1234 1.327,1235 0.5,1236 1.366,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.407,1246 1.239,1247 0.469,1248 1.308,1249 0.867,1250 0.8,1251 1.125,1252 1.05,1253 0.231,1254 1.083,1255 3.611,1257 4.949,1258 2.398,1259 6.475,1260 4.727,1261 8.09,1262 6.823,1263 9.753,1265 8.77,1271 2.094,1272 3.202,1277 0.214,1280 22.311,1281 47.42,1282 120.621,1283 159.337,1284 164.092,1285 164.092,1286 164.092,1287 21.855,1288 6.091,1289 27.82,1290 27.82,1291 11,1292 12.075,1293 3.459,1294 2.585,1295 28.344,1296 43,1297 52,1298 0.341,1299 141.748,1300 232.98,1301 337.625,1302 2657,1304 12.466,1305 0.733,1306 0.66,1307 12.466,1308 11.224,1309 8.02,1310 0.446,1311 0.348,1312 6.226,1313 7.862,1314 5.851,1315 5.006,1316 8.02,1317 6.272,1318 7.78,1319 0.299,1320 0.218,1321 7.78,1322 5.678,1323 5.715,1324 0.179,1325 0.102,1326 5.715,1327 3.278,1328 4.457,1329 0.111,1330 0.053,1331 4.457,1332 2.111,1333 3.511,1334 0.072,1335 0.029,1336 3.511,1337 1.441,1338 0.51,1339 49.179,1340 0.297,1341 16.869,1342 1.004,1343 88,1344 164.666,1345 90.775,1346 170.325,1347 241.32,1348 160,1349 102,1350 183.817,1351 104.998,1352 195.223,1353 280.83,1354 181,1355 9.503} {0 CHEMBL357061,1 1.573,2 17.267,3 2.113,4 4.464,5 172.841,6 7.207,7 0.25,8 4.533,9 4.655,10 4.051,11 4.015,12 5.661,13 3.997,14 5.095,15 5.27,16 4.404,17 4.427,18 6.248,19 4.384,20 5.376,21 5.57,22 4.571,23 4.66,24 6.409,25 4.599,26 5.581,27 5.786,28 4.668,29 4.757,30 6.717,31 4.688,32 5.674,33 5.896,34 4.635,35 4.777,36 6.793,37 4.693,38 5.646,39 5.89,40 4.568,41 4.741,42 6.733,43 4.632,44 5.661,45 5.923,46 4.391,47 4.652,48 6.645,49 4.531,50 5.518,51 5.78,52 4.362,53 4.535,54 6.494,55 4.421,56 0.189,57 1.228,58 18.52,59 7.897,60 19.854,61 10.558,62 0.683,63 1.935,64 35.643,65 13.217,66 94.898,67 18.215,68 0.64,69 2.494,70 47.678,71 17.544,72 80.304,73 24.415,74 0.955,75 2.842,76 60.594,77 21.141,78 144.96,79 29.139,80 1.347,81 2.984,82 68.825,83 21.882,84 192.956,85 30.972,86 1.043,87 2.975,88 66.23,89 21.68,90 170.816,91 32.061,92 1.284,93 2.808,94 70.215,95 20.418,96 191.412,97 30.413,98 1.081,99 2.459,100 60.264,101 18.974,102 125.087,103 27.806,104 95,105 67,106 0.236,107 0.56,108 0.737,109 0.812,110 0.837,111 0.841,112 3.832,113 0.94,114 -3.42,115 -3.4,116 -3.25,119 38.4,120 2,121 3,122 1,123 1,124 1,125 6,135 2,137 2,140 9,141 2,142 1,156 3,161 1,162 1,163 1,164 2,169 16,171 2,172 9,173 1,174 2,176 7,178 22,180 1,181 1,182 15,186 3,189 19,191 1,193 17,195 3,196 2,197 7,198 1,199 17,201 3,202 3,203 14,208 6,211 8,213 2,214 2,215 18,217 1,218 2,219 1,220 11,221 1,222 8,224 3,226 10,231 1,233 4,236 3,237 10,239 1,240 4,242 2,244 7,246 1,248 4,249 8,251 2,252 8,254 2,256 4,259 4410,260 29.956,261 29.956,262 29.956,263 29.956,264 29.956,265 27.214,266 44.447,267 17.763,268 30.533,269 23.552,270 23.552,271 23.552,272 23.552,273 23.552,274 19.415,275 56.878,276 8.229,277 24.286,278 4.853,279 2.688,280 1.509,281 1.006,282 0.84,283 0.817,284 4.519,290 1632,291 5.244,295 698.783,302 2.204,303 66.828,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 99.5,315 777,316 4.706,317 4.203,318 7.944,319 4.599,320 3.601,321 4.11,322 2.612,323 14.984,324 3.591,325 4.641,326 3.888,327 7.131,328 4.344,329 3.348,330 3.973,331 2.491,332 12.406,333 3.333,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.36,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 1.058,350 8.257,351 2.681,352 3.767,353 3.136,354 5.702,355 3.382,356 2.456,357 3.208,358 0.98,359 7.456,360 2.325,361 3.635,362 3.066,363 5.469,364 3.352,365 2.373,366 3.043,367 0.86,368 6.945,369 2.278,370 3.465,371 2.765,372 5.339,373 3.179,374 2.195,375 2.485,376 0.8,377 6.18,378 2.15,379 3.347,380 2.744,381 5.011,382 3.039,383 2.057,384 2.434,385 0.759,386 5.614,387 2.006,388 3.098,389 2.372,390 4.621,391 2.746,392 1.815,393 2.156,394 0.473,395 4.457,396 1.689,397 3.042,398 2.27,399 4.609,400 2.681,401 1.703,402 2.139,403 0.359,404 4.393,405 1.646,406 3.014,407 2.154,408 4.366,409 2.482,410 1.485,411 2.11,413 3.712,414 1.474,415 2.656,416 2.007,417 3.802,418 2.393,419 1.454,420 1.681,422 2.975,423 1.351,424 2.554,425 1.702,426 3.767,427 2.349,428 1.351,429 1.533,431 2.906,432 1.337,433 2.5,434 1.632,435 3.679,436 2.137,437 1.159,438 1.5,440 2.726,441 1.126,442 2.5,443 1.63,444 3.631,445 2.044,446 1.044,447 1.5,449 2.586,450 1.04,451 20.833,452 0.463,453 1.174,454 0.026,455 51,456 1.133,457 22.5,458 0.5,459 28.5,460 0.633,461 51.483,462 1.144,463 51.167,464 0.595,465 50.773,466 1.128,467 10.38,468 0.231,469 11.204,470 0.249,471 0.171,472 0.024,473 0.302,479 0.639,480 1.321,481 0.816,482 1.171,483 0.56,484 1.044,485 0.754,486 1.071,487 0.866,488 0.98,489 0.454,490 0.947,491 0.814,492 1.109,493 0.943,494 1.082,495 0.693,496 1.036,497 0.996,498 1.098,499 1.005,500 1.129,501 1.048,502 1.083,503 1.147,504 1.048,505 1.072,506 1.011,507 1.182,508 1.028,509 0.723,510 1.166,511 0.97,512 1.147,513 0.69,514 1.112,515 1.133,516 0.962,517 1.097,518 0.947,519 1.098,520 0.998,521 0.843,522 0.958,523 0.915,524 0.996,525 0.825,526 0.98,527 9,528 0.318,529 6,530 4.188,531 3.16,532 2.375,533 1.131,534 0.825,535 0.707,536 0.351,537 36324,538 106425,539 1.988,540 47.7,541 1,542 24,545 4,547 10,548 2,550 1.826,551 1.831,552 3.947,553 1.381,559 135.273,560 1.573,561 3.738,562 4.917,563 5.42,564 5.586,565 5.609,566 3.347,567 5.092,568 5.466,569 4.209,570 4166.89,571 9.678,572 81874.2,577 552.659,578 1.609,579 5.399,580 0.188,581 0.007,582 0.09,583 0.054,584 0.039,585 0.03,586 0.016,587 0.014,588 0.012,589 0.006,590 0.456,591 0.17,592 0.63,593 1.335,594 266.028,595 0.047,596 -0.026,597 0.041,598 -0.003,599 -0.019,600 0.014,601 0.083,602 0.076,603 0.054,604 0.106,605 0.158,606 0.079,607 -0.037,608 0.007,609 -0.023,610 -0.01,611 -0.015,612 -0.007,613 -0.042,614 -0.057,615 -0.044,616 -0.092,617 -0.035,618 -0.075,619 -0.1,620 -0.055,621 -0.081,622 -0.015,623 -0.097,624 -0.042,625 0.058,626 -0.158,627 -0.012,628 -0.149,629 0.084,630 -0.104,631 -0.156,632 -0.015,633 -0.09,634 -0.007,635 -0.139,636 -0.028,637 0.049,638 -0.017,639 0.076,640 -0.03,641 -0.014,642 0.014,643 2.504,644 6.553,645 0.533,646 60.178,647 1.008,648 1.133,649 2.188,650 4.788,651 0.639,652 3.892,653 4.22,654 4.511,655 4.771,656 4.997,657 5.094,658 5.142,659 5.198,660 5.187,661 5.05,662 9.967,663 0.612,664 619.79,665 3.892,666 5.442,667 6.301,668 7.192,669 8.078,670 8.981,671 9.878,672 10.786,673 11.689,674 12.601,675 5.8,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 86,716 19,717 2,718 48,720 89,721 33,722 12,723 3,724 9,725 6,730 4,731 4,736 2,737 1,739 1,740 2,741 1,743 3,745 19,746 14,747 1,750 7,752 1,755 5,759 7,764 41,765 11,766 4,767 12,773 5,777 1,778 7,793 4,804 1,805 1,808 1,810 2,811 2,814 1,815 1,818 1,819 4,823 3,827 45,828 1,833 9,834 2,835 2,837 1,838 1,839 1,847 8.1,850 3,851 1,852 1,853 2,854 24.583,855 15.983,856 10.139,857 5.104,858 2.585,859 1.31,860 0.935,861 11.786,862 10.913,863 4.127,864 4.654,865 5.13,866 5.604,867 6.056,868 6.271,869 6.547,870 6.832,871 7.025,872 6.793,873 1,874 78,875 16.836,877 7.264,878 7.983,879 31.478,881 25.705,883 2.483,884 111.75,888 435.531,889 176.644,890 77.713,892 148.181,895 176.644,896 583.712,897 77.713,898 34.204,899 76.119,900 103.297,901 108.549,902 29.623,904 435.531,905 50.747,906 435.531,907 254.357,908 148.181,911 294.278,912 227.688,913 61.747,915 114.905,916 128.269,917 11.184,919 435.531,920 225.895,921 176.644,924 435.531,925 62.824,926 122.614,927 36.022,928 181.079,929 435.531,930 225.895,931 176.644,933 0.578,934 0.345,935 0.189,936 0.104,937 28,938 15,939 0.157,940 14,942 1,943 5.124,944 459.109,946 24,947 233.133,951 34.164,952 15.524,953 7.931,955 220.224,956 15.535,961 1.407,963 68.919,964 838.069,965 61,967 -0.504,970 61.681,974 0.403,975 86.705,976 97.431,977 0.245,978 0.582,979 0.765,980 0.843,981 0.869,982 0.873,983 5.389,984 2.057,985 6.312,986 6.18,987 4.905,988 5.342,989 3.525,990 7.197,991 4.861,992 6.592,993 1.815,994 7.926,995 5.614,996 4.635,997 5.223,998 3.058,999 8.513,1000 4.602,1001 7.918,1002 1.703,1003 9.664,1004 4.457,1005 6.583,1006 7.453,1007 4.823,1008 11.647,1009 6.518,1010 9.283,1011 1.485,1012 11.483,1013 4.393,1014 7.186,1015 8.144,1016 5.149,1017 13.889,1018 7.142,1019 10.686,1020 1.454,1021 13.359,1022 3.712,1023 8.643,1024 9.887,1025 6.502,1026 16.655,1027 8.579,1028 12.115,1029 1.351,1030 15.276,1031 2.975,1032 9.628,1033 10.928,1034 7.134,1035 19.204,1036 9.58,1037 13.566,1038 1.159,1039 17.224,1040 2.906,1041 10.928,1042 12.482,1043 8.299,1044 21.896,1045 10.87,1046 3.601,1047 1.044,1048 19.197,1049 2.726,1050 12.072,1051 13.688,1052 9.072,1053 24.54,1054 12.024,1055 3.348,1056 14.984,1057 21.188,1058 2.586,1059 13.329,1060 15.157,1061 10.14,1062 27.224,1063 13.277,1064 2.763,1065 12.406,1066 23.194,1067 4.11,1068 14.54,1069 16.447,1070 10.987,1071 29.899,1072 14.49,1073 2.676,1074 9.057,1075 25.212,1076 3.973,1077 15.79,1078 17.876,1079 12.003,1080 32.587,1081 15.739,1082 2.456,1083 8.257,1084 27.238,1085 3.91,1086 17.029,1087 19.21,1088 12.891,1089 35.275,1090 16.978,1091 2.373,1092 7.456,1093 29.272,1094 3.485,1095 18.283,1096 20.619,1097 13.877,1098 37.968,1099 18.229,1100 2.195,1101 6.945,1102 31.312,1103 3.208,1104 19.535,1105 21.978,1106 14.789,1107 40.663,1108 19.48,1109 35362,1110 60781,1111 30.917,1112 54.915,1113 71.921,1114 74.839,1115 76.032,1116 71.194,1117 71.203,1118 88.383,1119 23.504,1120 207.328,1121 69.456,1122 5.706,1123 6.203,1124 7.853,1125 5.65,1126 5.601,1127 7.11,1128 4.612,1129 22.804,1130 5.591,1131 28.726,1132 1.498,1133 1.559,1134 1.584,1135 1.483,1136 1.483,1137 1.841,1138 0.49,1139 4.319,1140 1.447,1141 4.072,1142 4.101,1143 4.025,1144 3.979,1145 7.815,1146 3.984,1147 3.996,1148 4.027,1149 3.933,1150 3.918,1151 7.439,1152 3.917,1153 3.871,1154 3.902,1155 3.836,1156 3.718,1157 7.431,1158 3.733,1159 3.767,1160 3.823,1161 3.66,1162 3.634,1163 7.428,1164 3.632,1165 3.634,1166 3.682,1167 3.536,1168 3.452,1169 6.999,1170 3.458,1171 3.571,1172 3.617,1173 3.457,1174 3.33,1175 4.896,1176 3.349,1177 3.472,1178 3.511,1179 3.429,1180 3.298,1181 4.762,1182 3.302,1183 3.456,1184 3.489,1185 3.343,1186 3.085,1187 4.709,1188 3.156,1189 0.098,1190 0.088,1191 0.165,1192 0.096,1193 0.075,1194 4.706,1195 0.086,1196 4.203,1197 0.054,1198 7.944,1199 0.312,1200 4.599,1201 0.075,1202 3.601,1203 4.11,1204 2.612,1205 14.984,1206 3.591,1207 1.997,1208 1.974,1209 2.108,1210 2.117,1211 1.452,1212 2.102,1213 1.978,1214 1.95,1215 2.082,1216 2.09,1217 1.309,1218 2.094,1219 1.796,1220 1.765,1221 1.953,1222 1.991,1223 1.2,1224 1.957,1225 1.753,1226 1.7,1227 1.904,1228 1.913,1229 1.016,1230 1.924,1231 1.594,1232 1.538,1233 1.827,1234 1.81,1235 0.999,1236 1.81,1237 1.491,1238 1.443,1239 1.766,1240 1.767,1241 0.981,1242 1.768,1243 1.426,1244 1.381,1245 1.673,1246 1.635,1247 0.825,1248 1.635,1249 1.239,1250 1.193,1251 1.517,1252 1.628,1253 0.774,1254 1.55,1255 4.575,1257 5.9,1259 7.434,1261 9.074,1263 10.775,1265 5.03,1269 5.741,1271 4.956,1272 6.078,1273 10.636,1275 -0.776,1276 2.277,1277 -0.714,1280 52.593,1281 135.273,1282 321.484,1283 422.845,1284 466.129,1285 480.394,1286 482.394,1287 159.248,1288 8.328,1289 168.81,1290 168.81,1291 24,1292 13.117,1293 4.322,1294 3.807,1295 88.598,1296 278,1297 281,1298 0.154,1299 324.561,1300 593.07,1301 783.688,1302 56462,1304 32.562,1305 0.724,1306 0.577,1307 32.562,1308 25.967,1309 21.584,1310 0.45,1311 0.313,1312 14.792,1313 20.55,1314 14.393,1315 11.915,1316 21.584,1317 15.037,1318 19.255,1319 0.287,1320 0.17,1321 19.255,1322 11.376,1323 15.875,1324 0.176,1325 0.095,1326 15.875,1327 8.592,1328 13.347,1329 0.114,1330 0.053,1331 13.347,1332 6.225,1333 10.343,1334 0.07,1335 0.03,1336 10.343,1337 4.38,1338 0.25,1339 137.015,1340 0.18,1341 39.812,1342 0.403,1343 230,1344 743.417,1345 255.57,1346 700.398,1347 920.75,1348 648,1349 272,1350 647.357,1351 296.551,1352 649.527,1353 943.55,1354 606,1355 5.496} {0 CHEMBL357130,1 1.35,2 10.045,3 4.085,4 16.69,5 91.518,6 6.692,7 0.667,8 3.857,9 3.985,10 3.345,11 3.41,12 4.867,13 3.366,14 4.387,15 4.58,16 3.64,17 3.783,18 5.307,19 3.716,20 4.57,21 4.772,22 3.612,23 3.892,24 5.445,25 3.773,26 4.696,27 4.968,28 3.466,29 3.825,30 5.45,31 3.668,32 4.546,33 4.822,34 3.429,35 3.691,36 5.32,37 3.555,38 4.372,39 4.583,40 3.405,41 3.679,42 5.249,43 3.565,44 4.456,45 4.703,46 3.282,47 3.69,48 5.275,49 3.534,50 4.382,51 4.665,52 3.156,53 3.549,54 5.123,55 3.379,56 0.047,57 0.61,58 10.057,59 4.161,60 8.237,61 5.778,62 0.163,63 0.979,64 18.009,65 6.612,66 16.523,67 9.345,68 0.14,69 1.122,70 21.509,71 8.71,72 20.272,73 12.128,74 0.202,75 1.188,76 25.283,77 9.534,78 24.689,79 13.624,80 0.251,81 1.026,82 21.852,83 8.165,84 22.273,85 11.677,86 0.156,87 0.915,88 17.845,89 6.889,90 18.516,91 9.634,92 0.22,93 0.996,94 19.605,95 7.283,96 20.716,97 10.587,98 0.104,99 0.873,100 18.141,101 7.3,102 17.186,103 10.547,104 8,105 32,106 0.235,107 0.556,108 0.734,109 0.813,110 0.824,111 0.824,112 3.146,113 0.955,114 -4.31,115 -4.25,116 -4.01,119 43.2,121 1,124 2,125 2,140 8,141 3,142 1,149 1,150 1,169 10,172 4,176 3,178 10,182 5,186 3,189 7,193 4,199 4,203 3,206 2,211 7,215 1,222 9,225 1,226 1,231 1,233 9,242 2,244 6,249 1,254 2,256 3,259 640,260 14.999,261 14.999,262 14.999,263 14.999,264 14.999,265 13.119,266 14.286,267 9.121,268 15.288,269 11.881,270 11.881,271 11.881,272 11.881,273 11.881,274 9.071,275 15.609,276 4.395,277 12.331,278 4.11,279 2.262,280 1.233,281 0.779,282 0.716,283 0.716,284 3.831,287 1,288 1,289 1,290 471,291 3.082,294 50.395,295 129.097,298 89.126,302 1.599,303 8.565,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46,315 221,316 4.551,317 3.197,318 6.547,319 4.077,320 3.093,321 4.504,322 1.151,323 10.362,324 3.044,325 3.911,326 2.924,327 5.408,328 3.531,329 2.556,330 3.45,331 0.8,332 7.145,333 2.5,334 3.692,335 2.607,336 5.248,337 3.3,338 2.34,339 3.119,341 6.667,342 2.238,343 3.377,344 2.508,345 5.101,346 3.121,347 2.199,348 2.682,350 5.982,351 2.025,352 3.145,353 2.08,354 4.624,355 2.849,356 1.888,357 2.182,359 5.024,360 1.805,361 2.921,362 1.641,363 4.133,364 2.488,365 1.499,366 2.091,368 3.474,369 1.48,370 2.72,371 1.324,372 3.639,373 2.242,374 1.267,375 1.817,377 3.136,378 1.234,379 2.5,380 1.1,381 3.31,382 2,383 1,384 1.5,386 2.136,387 1,388 2.245,389 1,390 3.247,391 1.828,392 0.884,393 1.158,395 2.011,396 0.83,397 1.837,398 0.856,399 3.105,400 1.544,401 0.622,402 0.732,404 1.442,405 0.567,406 1.555,407 0.456,408 2.87,409 1.305,410 0.345,411 0.412,413 0.805,414 0.33,415 0.952,416 -0.057,417 2.434,418 0.59,419 -0.365,420 -0.452,422 -0.905,423 -0.346,424 0.649,425 -0.432,426 2.145,427 0.244,428 -0.719,429 -0.881,431 -1.644,432 -0.69,433 0.618,434 -0.6,435 2,436 0.153,437 -0.839,438 -1,440 -2,441 -0.829,442 0.5,443 -0.682,444 1.864,446 -1,447 -1.169,449 -2.347,450 -0.9,451 10.633,452 0.483,453 0.452,454 0.021,455 28.25,456 1.284,457 14.5,458 0.659,459 13.75,460 0.625,461 15.856,462 0.721,463 23.567,464 0.536,465 18.45,466 0.839,467 5.841,468 0.265,469 4.88,470 0.222,471 0.094,473 0.273,479 0.963,480 1.307,481 0.896,482 1.112,483 0.966,484 1.012,485 1.509,486 0.907,487 1.001,488 0.85,489 1.043,490 0.864,491 1.14,492 1.228,493 1.146,494 1.247,495 1.102,496 1.208,497 1.141,498 0.985,499 0.964,500 0.99,501 1.088,502 0.969,503 0.957,504 0.79,505 0.797,506 0.817,507 0.801,508 0.8,509 1.458,510 1.11,511 1.128,512 1.055,513 1.342,514 1.07,515 1.046,516 0.995,517 1.211,518 1.06,519 1.221,520 1.129,521 0.533,522 0.968,523 0.821,524 0.974,525 0.599,526 0.933,527 4,528 0.058,529 2,530 0.792,531 0.884,532 0.518,533 0.309,534 0.293,535 0.181,536 0.044,537 5293,538 11084,539 2.097,540 50,542 18,543 1,545 1,547 2,550 1.642,551 2,552 3.315,553 -0.399,555 1,559 59.397,560 1.35,561 3.197,562 4.226,563 4.681,564 4.743,565 4.743,566 2.777,567 3.754,568 4.427,569 3.469,570 801.323,571 7.594,572 9028.94,574 1,576 1,577 240.215,578 1.241,579 4.407,580 0.167,581 0.006,582 0.063,583 0.027,584 0.037,585 0.022,586 0.013,587 0.015,588 0.01,589 0.003,590 0.362,591 0.67,592 1,593 1.125,594 102.534,595 0.021,596 -0.145,597 0.065,598 -0.056,599 -0.026,600 -0.001,601 -0.17,602 0.204,603 0.002,604 0.136,605 -0.002,606 0.098,607 -0.067,608 -0.21,609 -0.177,610 -0.231,611 -0.078,612 -0.216,613 -0.016,614 -0.051,615 0.026,616 -0.024,617 -0.015,618 0.001,619 0.21,620 0.152,621 0.202,622 0.143,623 0.249,624 0.167,625 -0.177,626 -0.094,627 -0.138,628 -0.057,629 -0.198,630 -0.093,631 -0.068,632 0.035,633 -0.235,634 -0.096,635 -0.23,636 -0.166,637 0.103,638 -0.048,639 0.132,640 0.014,641 0.221,642 0.067,643 0.899,644 2.426,645 0.682,646 20.198,647 0.986,648 1.122,649 3.085,650 9.515,651 0.661,652 3.219,653 3.497,654 3.714,655 3.951,656 4.159,657 4.174,658 4.277,659 4.407,660 4.357,661 4.382,662 5.977,663 0.614,664 294.43,665 3.219,666 4.727,667 5.549,668 6.402,669 7.248,670 8.109,671 8.967,672 9.835,673 10.7,674 11.572,675 4.5,678 1,683 1,687 2,688 9,690 1,693 3,695 16,712 1,714 44,716 16,717 2,718 24,720 46,721 19,722 14,723 4,724 8,730 3,731 4,743 1,745 14,746 5,761 1,764 22,765 2,766 1,767 3,773 2,777 0.667,778 1,788 1,792 1,793 2,796 1,815 1,819 2,823 2,827 22,833 3,835 1,838 1,847 2.3,852 1,854 11,855 8.367,856 4.889,857 2.535,858 3.013,859 1.438,860 0.991,861 4.687,862 9.895,863 3.497,864 4.09,865 4.676,866 5.272,867 5.78,868 5.995,869 6.366,870 6.759,871 6.799,872 7.075,873 0.857,874 29,875 8.112,877 3.295,878 7.447,879 15.975,881 12.831,883 1.947,884 42.833,885 0.001,887 1,888 247.193,889 127.214,890 19.91,892 11,895 127.214,896 258.193,897 19.91,898 16.793,899 9.233,900 84.857,902 45.097,903 13.915,904 235.422,906 247.193,907 147.124,908 11,911 223.651,912 34.542,915 29.142,916 117.982,919 247.193,920 30.91,921 127.214,924 247.193,925 25.564,926 104.774,927 16.786,928 11,929 247.193,930 30.91,931 127.214,933 0.569,934 0.31,935 0.164,936 0.095,937 15,938 6,939 0.13,940 6,941 1,942 1.133,943 3.568,944 164.061,945 0.133,946 15,947 92.107,951 14.98,952 6.883,953 3.844,954 2.424,955 14.124,956 18.614,958 3.339,961 3.445,963 16.786,964 405.317,965 32,975 43.367,976 49.358,977 0.247,978 0.586,979 0.774,980 0.857,981 0.869,982 0.869,983 4.691,984 1,985 5.501,986 3.136,987 4.174,988 4.775,989 1.528,990 6.244,991 4.107,992 5.878,993 0.884,994 7.011,995 2.136,996 3.611,997 4.477,998 0.325,999 7.018,1000 3.514,1001 7.162,1002 0.622,1003 8.621,1004 2.011,1005 5.694,1006 6.992,1007 1.603,1008 10.095,1009 5.575,1010 8.486,1011 0.345,1012 10.292,1013 1.442,1014 5.969,1015 7.604,1016 0.268,1017 11.773,1018 5.831,1019 9.847,1020 -0.365,1021 12.006,1022 0.805,1023 7.495,1024 9.549,1025 1.778,1026 14.356,1027 7.342,1028 11.235,1029 -0.719,1030 13.752,1031 -0.905,1032 8.185,1033 10.616,1034 0.188,1035 16.424,1036 8.022,1037 12.645,1038 -0.839,1039 15.522,1040 -1.644,1041 9.47,1042 12.31,1043 1.991,1044 18.844,1045 9.294,1046 3.093,1047 -1,1048 17.311,1049 -2,1050 10.376,1051 13.606,1052 0.125,1053 21.074,1054 10.191,1055 2.556,1056 10.362,1057 19.117,1058 -2.347,1059 11.558,1060 15.189,1061 2.225,1062 23.44,1063 11.361,1064 2.34,1065 7.145,1066 20.935,1067 4.504,1068 12.574,1069 16.596,1070 0.082,1071 25.735,1072 12.367,1073 2.199,1074 6.667,1075 22.765,1076 3.45,1077 13.714,1078 18.132,1079 2.473,1080 28.083,1081 13.495,1082 1.888,1083 5.982,1084 24.603,1085 3.119,1086 14.785,1087 19.591,1088 0.054,1089 30.404,1090 14.555,1091 1.499,1092 5.024,1093 26.449,1094 2.682,1095 15.912,1096 21.107,1097 2.73,1098 32.745,1099 15.668,1100 1.267,1101 3.474,1102 28.301,1103 2.182,1104 17.01,1105 22.591,1106 0.035,1107 35.076,1108 16.753,1109 5155,1110 7558,1111 16.296,1112 29.08,1113 35.574,1114 35.46,1115 35.796,1116 35.395,1117 35.387,1118 47.292,1119 3.902,1120 96.369,1121 34.104,1122 5.386,1123 5.197,1124 6.349,1125 5.14,1126 5.093,1127 7.504,1128 2.302,1129 17.027,1130 5.044,1131 8.643,1132 1.482,1133 1.478,1134 1.491,1135 1.475,1136 1.474,1137 1.97,1138 0.163,1139 4.015,1140 1.421,1141 4.133,1142 4.164,1143 4.091,1144 4.046,1145 4.999,1146 4.054,1147 3.902,1148 3.932,1149 3.828,1150 3.841,1151 4.77,1152 3.833,1153 3.658,1154 3.741,1155 3.52,1156 3.473,1157 4.532,1158 3.473,1159 3.451,1160 3.497,1161 3.354,1162 3.26,1163 4.313,1164 3.273,1165 3.194,1166 3.265,1167 3.036,1168 3.022,1169 4.002,1170 3.017,1171 3.077,1172 3.161,1173 2.903,1174 2.89,1175 3.776,1176 2.882,1177 2.874,1178 3.009,1179 2.687,1180 2.735,1181 3.674,1182 2.715,1183 2.856,1184 2.925,1185 2.676,1186 2.728,1187 3.534,1188 2.707,1189 0.19,1190 0.133,1191 0.273,1192 0.17,1193 0.129,1194 4.551,1195 0.188,1196 3.197,1197 0.048,1198 6.547,1199 0.432,1200 4.077,1201 0.127,1202 3.093,1203 4.504,1204 1.151,1205 10.362,1206 3.044,1207 1.946,1208 1.927,1209 2.047,1210 2.039,1211 1.251,1212 2.04,1213 1.89,1214 1.863,1215 2.006,1216 1.969,1217 1.136,1218 1.984,1219 1.685,1220 1.621,1221 1.898,1222 1.899,1223 1.059,1224 1.905,1225 1.45,1226 1.367,1227 1.692,1228 1.692,1229 0.784,1230 1.695,1231 1.221,1232 1.174,1233 1.47,1234 1.466,1235 0.611,1236 1.469,1237 1.078,1238 0.993,1239 1.417,1240 1.314,1241 0.506,1242 1.35,1243 0.934,1244 0.821,1245 1.393,1246 1.239,1247 0.469,1248 1.308,1249 0.886,1250 0.814,1251 1.181,1252 1.062,1253 0.232,1254 1.107,1255 3.892,1257 5.176,1258 2.398,1259 6.645,1260 4.727,1261 8.2,1262 6.823,1263 9.805,1265 4.201,1271 2.682,1273 5.926,1276 2.203,1280 27.026,1281 59.397,1282 140.666,1283 185.95,1284 205.95,1285 208.705,1286 208.705,1287 25.35,1288 6.882,1289 28.26,1290 28.26,1291 17,1292 12.116,1293 4.087,1294 3.17,1295 34.576,1296 79,1297 72,1298 0.217,1299 167.938,1300 279.79,1301 401.528,1302 8627,1304 15.364,1305 0.698,1306 0.599,1307 15.364,1308 13.173,1309 10.72,1310 0.447,1311 0.318,1312 7.545,1313 10.403,1314 7.264,1315 6.109,1316 10.72,1317 7.637,1318 9.493,1319 0.297,1320 0.183,1321 9.493,1322 5.849,1323 7.493,1324 0.187,1325 0.095,1326 7.493,1327 3.816,1328 6.052,1329 0.119,1330 0.05,1331 6.052,1332 2.539,1333 4.987,1334 0.079,1335 0.028,1336 4.987,1337 1.753,1338 0.343,1339 66.466,1340 0.248,1341 22.017,1342 0.588,1343 112,1344 269.714,1345 118.679,1346 266.312,1347 370.99,1348 252,1349 128,1350 273.835,1351 135.485,1352 284.669,1353 409.53,1354 265,1355 7.361} {0 CHEMBL357408,1 1.476,2 14.2,3 2.383,4 5.679,5 120.171,6 6.975,7 0.588,8 4.168,9 4.305,10 3.699,11 3.668,12 5.169,13 3.647,14 4.736,15 4.931,16 4.019,17 4.099,18 5.628,19 4.042,20 4.985,21 5.233,22 3.928,23 4.223,24 5.736,25 4.093,26 5.078,27 5.354,28 3.859,29 4.228,30 5.8,31 4.068,32 5.047,33 5.344,34 3.787,35 4.155,36 5.703,37 3.986,38 4.932,39 5.21,40 3.804,41 4.078,42 5.655,43 3.943,44 4.885,45 5.143,46 3.758,47 4.022,48 5.664,49 3.889,50 4.853,51 5.145,52 3.539,53 3.904,54 5.567,55 3.745,56 0.069,57 0.917,58 13.254,59 5.016,60 12.118,61 7.206,62 0.264,63 1.483,64 24.934,65 8.44,66 20.349,67 12.46,68 0.255,69 1.721,70 32.97,71 11.657,72 24.238,73 17.551,74 0.384,75 1.773,76 37.174,77 12.954,78 32.645,79 19.594,80 0.298,81 1.661,82 36.436,83 12.846,84 28.305,85 19.533,86 0.299,87 1.538,88 32.215,89 10.803,90 24.929,91 16.486,92 0.308,93 1.473,94 30.542,95 10.276,96 28.145,97 15.4,98 0.437,99 1.352,100 30.585,101 9.279,102 30.331,103 14.426,105 46,106 0.239,107 0.599,108 0.788,109 0.839,110 0.854,111 0.854,112 3.44,113 0.95,114 -4.04,115 -3.99,116 -3.78,119 39.7,121 4,125 4,127 1,140 4,141 3,142 1,149 3,150 1,158 2,164 1,169 6,171 2,172 7,176 6,178 6,182 3,186 4,189 5,193 6,195 2,197 1,199 7,203 6,206 1,211 6,215 7,218 1,220 1,222 3,226 4,229 2,231 1,233 2,236 2,237 3,242 3,244 3,254 1,256 4,259 1552,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.776,266 27.772,267 12.701,268 21.483,269 16.835,270 16.835,271 16.835,272 16.835,273 16.835,274 13.42,275 38.29,276 6.079,277 17.483,278 4.382,279 2.164,280 0.996,281 0.681,282 0.586,283 0.586,284 4.154,288 1,289 1,290 961,291 3,294 256.475,295 190.213,298 134.535,302 2.28,303 13.557,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 426,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.927,327 6.095,328 3.69,329 2.753,330 3.731,331 0.657,332 8.884,333 2.584,334 3.927,335 2.88,336 5.51,337 3.636,338 2.678,339 3.48,341 7.441,342 2.574,343 3.648,344 2.768,345 5.348,346 3.501,347 2.52,348 2.813,350 6.987,351 2.463,352 3.432,353 2.397,354 5.139,355 3.145,356 2.196,357 2.653,359 6.317,360 2.083,361 3.253,362 2.18,363 5.093,364 2.994,365 2.02,366 2.589,368 5.992,369 1.955,370 3.196,371 1.795,372 4.514,373 2.73,374 1.776,375 2.213,377 4.655,378 1.69,379 2.743,380 1.475,381 4.134,382 2.332,383 1.347,384 1.848,386 3.482,387 1.326,388 2.65,389 1.363,390 3.544,391 2.274,392 1.288,393 1.7,395 2.819,396 1.269,397 2.427,398 1.164,399 3.454,400 2.088,401 1.123,402 1.402,404 2.524,405 1.082,406 2.261,407 1.077,408 3.414,409 1.984,410 1,411 1.203,413 2.275,414 0.983,415 2.118,416 0.942,417 3.316,418 1.863,419 0.898,420 1,422 2.1,423 0.864,424 2.118,425 0.763,426 3.179,427 1.618,428 0.638,429 0.927,431 1.523,432 0.618,433 2,434 0.627,435 3,436 1.592,437 0.618,438 0.927,440 1.372,441 0.607,442 1.997,443 0.618,444 3,445 1.518,446 0.618,447 0.84,449 1.372,450 0.556,451 14.233,452 0.474,453 0.496,454 0.017,455 36.5,456 1.217,457 16,458 0.533,459 20.5,460 0.683,461 26.406,462 0.88,463 32.567,464 0.561,465 23.813,466 0.794,467 7.06,468 0.235,469 7.788,470 0.26,473 0.267,479 0.916,480 1.432,481 0.837,482 1.163,483 0.657,484 1.015,485 1.198,486 1.091,487 1.031,488 0.997,489 0.879,490 0.99,491 0.831,492 1.098,493 1.064,494 1.116,495 0.729,496 1.114,497 0.732,498 0.971,499 1.016,500 1.049,501 0.735,502 1.066,503 0.567,504 0.923,505 0.837,506 0.959,507 0.653,508 0.937,509 0.823,510 0.943,511 0.907,512 0.945,513 0.77,514 0.935,515 1.03,516 1.118,517 1.05,518 1.13,519 1.029,520 1.107,521 1.161,522 0.822,523 1.082,524 0.878,525 1.24,526 0.956,527 4.5,528 0.078,529 2.889,530 0.854,531 0.971,532 0.705,533 0.393,534 0.237,535 0.161,536 0.143,537 15513,538 35941,539 2.228,540 48.3,541 2,542 13,543 3,544 2,545 2,547 2,548 4,550 1.72,551 2.195,552 3.77,553 0.21,555 1,559 85.605,560 1.476,561 3.694,562 4.862,563 5.177,564 5.272,565 5.272,566 3.248,567 4.374,568 4.877,569 3.99,570 1735.68,571 8.462,572 26113.2,574 1,577 339.763,578 0.837,579 4.881,580 0.132,581 0.004,582 0.063,583 0.021,584 0.027,585 0.021,586 0.011,587 0.007,588 0.006,589 0.006,590 0.299,591 0.33,592 0.88,594 159.187,595 0.049,596 -0.183,597 0.087,598 -0.077,599 0.234,600 -0.004,601 -0.11,602 0.064,603 -0.068,604 0.018,605 0.017,606 -0.014,607 -0.09,608 -0.081,609 -0.115,610 -0.096,611 -0.013,612 -0.106,613 0.027,614 -0.024,615 -0.053,616 -0.047,617 0.043,618 -0.059,619 0.087,620 -0.033,621 0.127,622 0.044,623 0.101,624 0.082,625 0.007,626 0.006,627 0.068,628 0.041,629 0.041,630 0.06,631 -0.009,632 -0.156,633 -0.067,634 -0.14,635 -0.057,636 -0.12,637 -0.076,638 0.106,639 -0.073,640 0.059,641 -0.199,642 0.003,643 0.721,644 1.641,645 0.833,646 36.164,647 0.994,648 1.134,649 2.809,650 7.889,651 0.653,652 3.555,653 3.85,654 4.127,655 4.369,656 4.489,657 4.595,658 4.727,659 4.86,660 4.913,661 4.956,662 8.417,663 0.614,664 404.57,665 3.555,666 5.081,667 5.927,668 6.786,669 7.643,670 8.507,671 9.371,672 10.239,673 11.107,674 11.978,675 10.3,677 1,678 1,683 2,685 2,687 2,688 9,689 2,690 1,691 1,693 3,694 1,695 20,714 58,716 20,717 1,718 34,720 62,721 23,722 14,723 3,724 3,730 5,731 6,740 3,743 5,745 14,746 9,761 1,763 1,764 28,765 5,766 2,767 7,773 6,777 0.8,778 1,788 1,792 3,793 2,796 1,814 1,815 1,819 4,827 30,833 8,834 1,837 1,838 1,844 1,847 1.7,852 1,854 13.667,855 10.05,856 6.583,857 3.636,858 3.315,859 1.413,860 1.019,861 5.976,862 11.34,863 3.807,864 4.379,865 4.972,866 5.554,867 5.887,868 6.301,869 6.755,870 7.185,871 7.376,872 7.594,873 1,874 40,875 11.073,877 4.668,878 7.439,879 22.003,881 18.567,883 1.939,884 58.167,887 1,888 306.049,889 120.075,890 73.146,892 9.507,895 120.075,896 315.556,897 73.146,899 18.561,900 88.442,901 74.105,902 43.017,903 37.457,904 247.193,906 306.049,907 193.22,908 9.507,911 235.422,912 80.134,915 75.618,916 84.276,917 33.326,919 306.049,920 82.653,921 120.075,924 306.049,925 32.406,926 92.692,927 34.796,928 42.833,929 306.049,930 82.653,931 120.075,933 0.573,934 0.334,935 0.18,936 0.085,937 23,938 8,939 0.129,940 8,941 1,942 1.08,943 4.53,944 258.589,945 0.08,946 25,947 139.207,951 19.554,952 9.169,953 4.694,954 2.481,955 63.968,956 17.677,957 7.822,958 3.411,959 5.141,961 3.707,962 1.945,963 34.796,964 508.776,965 44,975 57.658,976 65.766,977 0.252,978 0.631,979 0.83,980 0.884,981 0.9,982 0.9,983 5.024,984 1.347,985 5.872,986 4.655,987 4.533,988 5.066,989 1.038,990 6.629,991 4.461,992 6.189,993 1.288,994 7.388,995 3.482,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.783,1001 7.467,1002 1.123,1003 9.003,1004 2.819,1005 6.071,1006 7.234,1007 0.607,1008 10.489,1009 5.932,1010 8.785,1011 1,1012 10.681,1013 2.524,1014 6.347,1015 7.852,1016 0.268,1017 12.158,1018 6.175,1019 10.143,1020 0.898,1021 12.4,1022 2.275,1023 7.882,1024 9.748,1025 0.359,1026 14.719,1027 7.684,1028 11.527,1029 0.638,1030 14.148,1031 2.1,1032 8.579,1033 10.833,1034 0.188,1035 16.759,1036 8.356,1037 12.933,1038 0.618,1039 15.918,1040 1.523,1041 9.855,1042 12.476,1043 0.214,1044 19.155,1045 9.609,1046 3.118,1047 0.618,1048 17.704,1049 1.372,1050 10.759,1051 13.783,1052 0.125,1053 21.356,1054 10.492,1055 2.753,1056 10.431,1057 19.504,1058 1.372,1059 11.927,1060 15.33,1061 0.129,1062 23.702,1063 11.641,1064 2.678,1065 8.884,1066 21.314,1067 4.518,1068 12.933,1069 16.74,1070 0.082,1071 25.975,1072 12.631,1073 2.52,1074 7.441,1075 23.133,1076 3.731,1077 14.06,1078 18.251,1079 0.079,1080 28.306,1081 13.741,1082 2.196,1083 6.987,1084 24.96,1085 3.48,1086 15.119,1087 19.709,1088 0.054,1089 30.612,1090 14.786,1091 2.02,1092 6.317,1093 26.793,1094 2.813,1095 16.232,1096 21.211,1097 0.048,1098 32.943,1099 15.885,1100 1.776,1101 5.992,1102 28.632,1103 2.653,1104 17.319,1105 22.692,1106 0.035,1107 35.265,1108 16.958,1109 14030,1110 21530,1111 24.038,1112 37.864,1113 50.905,1114 50.101,1115 49.984,1116 50.219,1117 50.231,1118 64.902,1119 2.915,1120 138.817,1121 48.43,1122 5.568,1123 5.196,1124 6.196,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1132 1.497,1133 1.474,1134 1.47,1135 1.477,1136 1.477,1137 1.909,1138 0.086,1139 4.083,1140 1.424,1141 4.154,1142 4.192,1143 4.113,1144 4.061,1145 5.137,1146 4.069,1147 3.939,1148 3.984,1149 3.861,1150 3.784,1151 5.088,1152 3.796,1153 3.842,1154 3.907,1155 3.79,1156 3.676,1157 4.926,1158 3.682,1159 3.817,1160 3.867,1161 3.723,1162 3.584,1163 4.399,1164 3.621,1165 3.539,1166 3.609,1167 3.394,1168 3.387,1169 4.258,1170 3.383,1171 3.308,1172 3.378,1173 3.203,1174 3.132,1175 4.094,1176 3.139,1177 3.188,1178 3.277,1179 3.031,1180 2.941,1181 3.874,1182 2.946,1183 3.111,1184 3.206,1185 2.866,1186 2.934,1187 3.686,1188 2.91,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.568,1195 0.133,1196 3.196,1197 0.024,1198 6.566,1199 0.307,1200 4.099,1201 0.09,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.07,1210 2.06,1211 1.427,1212 2.066,1213 1.854,1214 1.791,1215 2.029,1216 2.037,1217 1.276,1218 2.038,1219 1.676,1220 1.622,1221 1.881,1222 1.847,1223 1.12,1224 1.862,1225 1.585,1226 1.541,1227 1.763,1228 1.737,1229 0.977,1230 1.746,1231 1.407,1232 1.336,1233 1.586,1234 1.657,1235 0.825,1236 1.639,1237 1.325,1238 1.266,1239 1.513,1240 1.573,1241 0.754,1242 1.533,1243 1.259,1244 1.24,1245 1.489,1246 1.516,1247 0.582,1248 1.515,1249 1.153,1250 1.064,1251 1.453,1252 1.442,1253 0.52,1254 1.429,1255 4.234,1257 5.533,1258 3.434,1259 7.009,1260 5.638,1261 8.568,1262 7.591,1263 10.175,1271 9.107,1272 3.658,1275 0.612,1276 2.605,1280 35.638,1281 85.605,1282 214.237,1283 281.988,1284 300.253,1285 305.763,1286 305.763,1287 35.169,1288 8.025,1289 74.91,1290 74.91,1291 27,1292 12.521,1293 4.392,1294 3.459,1295 42.036,1296 154,1297 140,1298 0.13,1299 215.77,1300 354.73,1301 518.239,1302 41424,1304 20.175,1305 0.673,1306 0.571,1307 20.175,1308 17.127,1309 14.848,1310 0.437,1311 0.317,1312 10.61,1313 14.226,1314 10.435,1315 8.611,1316 14.848,1317 10.768,1318 12.925,1319 0.281,1320 0.177,1321 12.925,1322 8.145,1323 11.28,1324 0.185,1325 0.101,1326 11.28,1327 6.151,1328 9.343,1329 0.12,1330 0.056,1331 9.343,1332 4.377,1333 6.728,1334 0.076,1335 0.034,1336 6.728,1337 2.978,1338 0.214,1339 93.186,1340 0.204,1341 29.34,1342 0.33,1343 160,1344 400.982,1345 173.702,1346 390.38,1347 547.95,1348 370,1349 187,1350 417.226,1351 202.285,1352 422.542,1353 610.27,1354 397,1355 8.248} {0 CHEMBL357478,1 1.55,2 21.511,3 3.197,4 10.219,5 174.744,6 7.26,7 0.52,8 4.532,9 4.662,10 4.072,11 4.031,12 5.614,13 4.02,14 5.077,15 5.251,16 4.423,17 4.437,18 6.11,19 4.402,20 5.341,21 5.553,22 4.476,23 4.585,24 6.371,25 4.513,26 5.379,27 5.595,28 4.401,29 4.602,30 6.345,31 4.501,32 5.433,33 5.681,34 4.362,35 4.515,36 6.438,37 4.408,38 5.326,39 5.574,40 4.232,41 4.377,42 6.31,43 4.291,44 5.145,45 5.369,46 4.21,47 4.318,48 6.181,49 4.24,50 5.166,51 5.396,52 4.233,53 4.333,54 6.217,55 4.249,56 0.078,57 1.274,58 18.167,59 7.214,60 15.495,61 9.82,62 0.374,63 2.014,64 33.922,65 12.168,66 37.464,67 16.951,68 0.849,69 2.409,70 47.063,71 16.02,72 81.884,73 22.554,74 0.383,75 2.455,76 48.176,77 17.915,78 59.341,79 25.044,80 0.714,81 2.393,82 53.88,83 18.373,84 95.037,85 26.117,86 0.803,87 2.124,88 49.535,89 14.825,90 86.995,91 21.168,92 0.568,93 1.912,94 39.221,95 12.911,96 60.318,97 18.436,98 0.573,99 1.928,100 40.201,101 13.96,102 67.091,103 19.682,104 25,105 69,106 0.231,107 0.553,108 0.687,109 0.762,110 0.794,111 0.798,112 3.831,113 0.917,114 -2.07,115 -2.12,116 -2.11,119 40.5,121 2,125 8,140 10,141 4,142 4,149 2,150 2,156 2,161 2,162 2,163 2,169 10,171 1,172 6,174 1,176 10,178 10,180 2,181 4,182 6,184 1,186 10,189 10,191 2,193 4,197 2,199 4,201 2,202 1,203 14,206 3,207 2,208 4,210 2,211 2,213 2,214 1,215 10,220 4,224 2,225 1,226 5,228 2,229 2,231 3,233 4,235 2,236 1,237 9,240 4,241 1,242 1,244 8,249 4,256 6,259 5118,260 31.065,261 31.065,262 31.065,263 31.065,264 31.065,265 27.823,266 34.602,267 18.459,268 31.676,269 24.625,270 24.625,271 24.625,272 24.625,273 24.625,274 19.487,275 40.572,276 8.617,277 25.595,278 4.842,279 2.689,280 1.789,281 1.286,282 1.071,283 1.048,284 4.545,290 2134,291 4.583,294 281.478,295 654.994,298 490.47,302 3.633,303 43.195,306 0.25,307 0.17,308 0.33,309 0.5,310 0.5,311 0.17,313 0.27,314 97.5,315 968,316 4.55,317 3.741,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.55,326 3.621,327 6.546,328 4.076,329 3.092,330 4.504,331 2.03,332 10.36,333 3.043,334 4.159,335 3.183,336 6.171,337 3.87,338 2.924,339 3.702,340 0.933,341 9.132,342 2.768,343 3.956,344 3.181,345 5.989,346 3.693,347 2.73,348 3.179,349 0.892,350 8.463,351 2.623,352 3.807,353 3.105,354 5.482,355 3.517,356 2.556,357 3.146,358 0.8,359 7.37,360 2.447,361 3.704,362 2.743,363 5.317,364 3.321,365 2.377,366 3.071,367 0.51,368 6.867,369 2.241,370 3.681,371 2.733,372 5.314,373 3.298,374 2.351,375 2.994,376 0.141,377 6.852,378 2.224,379 3.42,380 2.511,381 5.099,382 3.06,383 2.06,384 2.683,386 5.926,387 2.047,388 3.344,389 2.263,390 5.096,391 2.94,392 1.971,393 2.672,395 5.915,396 1.9,397 3.333,398 2.158,399 4.796,400 2.918,401 1.943,402 2.593,404 5.432,405 1.883,406 2.92,407 2.154,408 4.446,409 2.64,410 1.656,411 1.962,413 4.442,414 1.62,415 2.743,416 1.594,417 4.165,418 2.305,419 1.331,420 1.846,422 3.574,423 1.296,424 2.742,425 1.476,426 4.155,427 2.303,428 1.323,429 1.843,431 3.505,432 1.295,433 2.5,434 1.476,435 4.068,436 2.194,437 1.248,438 1.5,440 3.367,441 1.172,442 2.431,443 1.379,444 3.414,445 2.024,446 1.076,447 1.404,449 2.275,450 1.016,451 21.133,452 0.47,453 0.93,454 0.021,455 57,456 1.267,457 27,458 0.6,459 30,460 0.667,461 41.636,462 0.925,463 49.067,464 0.584,465 48.99,466 1.089,467 11.51,468 0.256,469 10.489,470 0.233,471 0.069,473 0.322,479 0.91,480 1.32,481 0.833,482 1.073,483 0.731,484 0.947,485 1.023,486 1.159,487 0.941,488 1.023,489 0.679,490 0.969,491 1.03,492 0.928,493 1.029,494 0.944,495 0.959,496 0.975,497 0.965,498 1.195,499 1.084,500 1.249,501 0.953,502 1.2,503 0.975,504 1.029,505 0.946,506 1.096,507 1.06,508 1.041,509 1.529,510 0.915,511 1.069,512 0.867,513 1.306,514 0.896,515 1.118,516 1.052,517 1.025,518 1.027,519 1.031,520 1.014,521 0.93,522 0.984,523 0.926,524 1.046,525 1.135,526 1.002,527 8.5,528 0.22,529 5.333,530 2.458,531 2.111,532 1.424,533 0.918,534 0.641,535 0.46,536 0.397,537 48884,538 119355,539 2.133,540 46.4,542 26,543 2,545 7,547 4,550 1.819,551 2.03,552 4.326,553 3.604,559 130.199,560 1.55,561 3.704,562 4.604,563 5.107,564 5.321,565 5.345,566 3.78,567 5.164,568 5.463,569 4.562,570 4516.42,571 9.626,572 97835.2,577 536.955,578 1.277,579 5.438,580 0.17,581 0.005,582 0.077,583 0.035,584 0.034,585 0.025,586 0.018,587 0.012,588 0.009,589 0.008,590 0.392,591 0.17,592 0.63,593 0.832,594 274.185,595 -0.09,596 -0.073,597 0.042,598 0.004,599 -0.083,600 0.044,601 -0.05,602 -0.016,603 -0.009,604 0.006,605 -0.006,606 0.008,607 0.035,608 0.119,609 -0.054,610 0.057,612 0.002,613 -0.075,614 -0.188,615 -0.134,616 -0.21,617 -0.064,618 -0.185,619 0.092,620 -0.104,621 0.06,622 -0.101,623 0.042,624 -0.042,625 -0.183,626 0.018,627 -0.022,628 0.081,629 -0.112,630 0.059,631 -0.019,632 -0.041,633 -0.034,634 -0.041,635 0.016,636 -0.04,637 0.111,639 0.062,640 -0.044,641 0.052,642 -0.009,643 1.905,644 5.879,645 0.667,646 79.994,647 1.002,648 1.131,649 0.841,650 0.708,651 0.655,652 3.932,653 4.248,654 4.533,655 4.787,656 4.997,657 5.069,658 5.198,659 5.278,660 5.283,661 5.384,662 12.297,663 0.624,664 609.8,665 3.932,666 5.476,667 6.33,668 7.203,669 8.071,670 8.947,671 9.82,672 10.698,673 11.574,674 12.452,675 8.3,676 2,681 1,682 2,683 2,687 4,688 12,690 2,693 6,695 26,709 1,712 2,714 84,716 28,717 3,718 50,720 89,721 34,722 22,723 8,724 10,730 6,731 8,736 2,743 2,745 24,746 10,750 2,755 2,759 2,764 39,765 9,766 7,767 11,773 7,777 0.667,778 4,788 2,792 2,793 4,796 2,805 1,806 1,812 2,819 4,827 45,828 2,833 10,834 1,835 2,838 2,847 4.8,850 2,852 2,854 22.167,855 14.483,856 10,857 4.944,858 4.952,859 1.528,860 1.019,861 10.029,862 14.334,863 4.19,864 4.787,865 5.382,866 5.973,867 6.474,868 6.752,869 7.113,870 7.439,871 7.345,872 7.482,873 1,874 70,875 16.696,877 7.136,878 7.711,879 32.082,881 26.626,883 2.211,884 99.5,888 376.675,889 180.96,890 123.625,892 72.29,895 180.96,896 448.965,897 123.625,899 113.817,900 112.857,901 59.699,902 86.213,903 27.83,904 353.133,906 376.675,907 304.585,908 72.29,911 329.591,912 119.374,915 147.389,916 157.197,919 376.675,920 195.914,921 180.96,924 376.675,925 68.103,926 119.106,927 51.582,928 138.084,929 376.675,930 195.914,931 180.96,933 0.574,934 0.339,935 0.186,936 0.103,937 32,938 14,939 0.135,940 12,941 2,942 1.133,943 5.702,944 443.3,945 0.133,946 30,947 239.133,951 31.139,952 14.494,953 7.517,954 4.157,955 162.343,956 23.155,958 6.478,961 5.297,963 117.376,964 753.55,965 65,970 25.442,974 -0.271,975 84.159,976 94.969,977 0.242,978 0.579,979 0.72,980 0.799,981 0.832,982 0.836,983 5.427,984 2.06,985 6.301,986 6.852,987 4.934,988 5.476,989 2.995,990 7.094,991 4.862,992 6.621,993 1.971,994 7.847,995 5.926,996 4.443,997 5.293,998 2.262,999 7.947,1000 4.356,1001 7.925,1002 1.943,1003 9.489,1004 5.915,1005 6.515,1006 7.696,1007 3.972,1008 11.027,1009 6.377,1010 9.265,1011 1.656,1012 11.19,1013 5.432,1014 6.868,1015 8.393,1016 3.923,1017 12.725,1018 6.716,1019 10.64,1020 1.331,1021 12.928,1022 4.442,1023 8.368,1024 10.255,1025 5.215,1026 15.3,1027 8.177,1028 12.038,1029 1.323,1030 14.692,1031 3.574,1032 9.113,1033 11.369,1034 5.492,1035 17.352,1036 8.908,1037 13.455,1038 1.248,1039 16.476,1040 3.505,1041 10.38,1042 13.018,1043 6.55,1044 19.757,1045 10.144,1046 3.092,1047 1.076,1048 18.274,1049 3.367,1050 11.314,1051 14.337,1052 7.003,1053 21.964,1054 11.065,1055 3.092,1056 10.36,1057 20.084,1058 2.275,1059 12.482,1060 15.897,1061 7.925,1062 24.311,1063 12.21,1064 2.924,1065 10.36,1066 21.903,1067 4.504,1068 13.508,1069 17.314,1070 8.48,1071 26.584,1072 13.222,1073 2.73,1074 9.132,1075 23.73,1076 4.504,1077 14.638,1078 18.838,1079 9.322,1080 28.914,1081 14.333,1082 2.556,1083 8.463,1084 25.564,1085 3.702,1086 15.708,1087 20.302,1088 9.938,1089 31.217,1090 15.389,1091 2.377,1092 7.37,1093 27.403,1094 3.179,1095 16.824,1096 21.812,1097 10.731,1098 33.543,1099 16.489,1100 2.351,1101 6.867,1102 29.247,1103 3.146,1104 17.916,1105 23.296,1106 11.385,1107 35.861,1108 17.567,1109 44874,1110 70315,1111 34.096,1112 55.04,1113 74.792,1114 76.564,1115 76.543,1116 74.203,1117 74.287,1118 96.167,1119 14.723,1120 210.868,1121 71.538,1122 5.55,1123 5.741,1124 6.313,1125 5.165,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 19.925,1132 1.496,1133 1.531,1134 1.531,1135 1.484,1136 1.486,1137 1.923,1138 0.294,1139 4.217,1140 1.431,1141 4.152,1142 4.185,1143 4.108,1144 4.063,1145 7.43,1146 4.07,1147 4.112,1148 4.143,1149 4.072,1150 4.028,1151 7.426,1152 4.035,1153 3.967,1154 4.012,1155 3.904,1156 3.861,1157 5.054,1158 3.865,1159 3.778,1160 3.829,1161 3.697,1162 3.583,1163 5.021,1164 3.602,1165 3.608,1166 3.649,1167 3.53,1168 3.435,1169 4.959,1170 3.442,1171 3.57,1172 3.631,1173 3.459,1174 3.423,1175 4.953,1176 3.422,1177 3.506,1178 3.569,1179 3.382,1180 3.286,1181 4.758,1182 3.311,1183 3.432,1184 3.491,1185 3.296,1186 3.196,1187 4.562,1188 3.215,1189 0.091,1190 0.075,1191 0.131,1192 0.082,1193 0.062,1194 4.55,1195 0.09,1196 3.741,1197 0.041,1198 6.546,1199 0.207,1200 4.076,1201 0.061,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.938,1208 1.919,1209 2.044,1210 2.071,1211 1.299,1212 2.066,1213 1.936,1214 1.918,1215 2.02,1216 2.027,1217 1.225,1218 2.024,1219 1.919,1220 1.885,1221 2.018,1222 2.02,1223 1.224,1224 2.019,1225 1.716,1226 1.657,1227 1.896,1228 1.914,1229 1.052,1230 1.91,1231 1.649,1232 1.591,1233 1.851,1234 1.846,1235 1.017,1236 1.854,1237 1.648,1238 1.59,1239 1.85,1240 1.845,1241 1.016,1242 1.853,1243 1.427,1244 1.394,1245 1.604,1246 1.697,1247 0.825,1248 1.667,1249 1.346,1250 1.303,1251 1.561,1252 1.621,1253 0.743,1254 1.605,1255 4.615,1257 5.932,1258 3.045,1259 7.437,1260 5.416,1261 9.026,1262 7.516,1263 10.66,1269 11.438,1271 5.224,1272 2.894,1273 11.615,1276 4.07,1280 52.438,1281 130.199,1282 311.116,1283 386.716,1284 428.955,1285 446.955,1286 448.955,1287 85.023,1288 9.383,1289 154.73,1290 154.73,1291 34,1292 12.99,1293 4.858,1294 4,1295 69.187,1296 338,1297 307,1298 0.095,1299 318.039,1300 545.94,1301 767.774,1302 246252,1304 31.175,1305 0.693,1306 0.56,1307 31.175,1308 25.181,1309 22,1310 0.44,1311 0.306,1312 15.057,1313 21.113,1314 14.8,1315 12.176,1316 22,1317 15.289,1318 19.387,1319 0.281,1320 0.162,1321 19.387,1322 11.16,1323 16.673,1324 0.181,1325 0.089,1326 16.673,1327 8.186,1328 13.879,1329 0.117,1330 0.048,1331 13.879,1332 5.771,1333 11.258,1334 0.077,1335 0.026,1336 11.258,1337 3.855,1338 0.161,1339 138.144,1340 0.171,1341 41.17,1342 0.236,1343 238,1344 663.855,1345 261.227,1346 636.862,1347 876.76,1348 600,1349 280,1350 646.858,1351 303.673,1352 651.621,1353 954.82,1354 616,1355 10.046} {0 CHEMBL357634,1 1.612,2 14.971,3 3.383,4 11.445,5 136.758,6 7.479,7 0.553,8 4.261,9 4.383,10 3.966,11 3.814,12 5.255,13 3.768,14 4.839,15 5.022,16 4.28,17 4.242,18 5.933,19 4.171,20 5.105,21 5.319,22 4.315,23 4.424,24 6.038,25 4.299,26 5.262,27 5.494,28 4.254,29 4.447,30 6.249,31 4.306,32 5.263,33 5.523,34 4.113,35 4.368,36 6.181,37 4.218,38 5.159,39 5.434,40 3.99,41 4.264,42 6.025,43 4.119,44 5.011,45 5.27,46 3.924,47 4.21,48 5.791,49 4.05,50 5.036,51 5.323,52 3.759,53 4.119,54 5.807,55 3.941,56 0.101,57 1.03,58 16.722,59 6.055,60 17.938,61 7.91,62 0.441,63 1.673,64 28.46,65 10.118,66 52.867,67 13.673,68 0.258,69 2.031,70 43.381,71 15.277,72 44.222,73 19.703,74 0.533,75 2.17,76 51.497,77 17.187,78 85.577,79 22.138,80 0.541,81 2.08,82 51.344,83 16.757,84 86.871,85 22.76,86 0.624,87 1.891,88 42.482,89 13.91,90 72.538,91 20.046,92 0.252,93 1.753,94 36.252,95 13.176,96 34.806,97 18.725,98 0.434,99 1.681,100 39.455,101 12.669,102 53.079,103 18.167,104 10,105 54,106 0.255,107 0.571,108 0.742,109 0.812,110 0.832,111 0.832,112 3.56,113 1.039,114 -4.57,115 -4.49,116 -4.23,119 39.1,121 4,124 1,125 3,127 1,140 8,141 2,142 2,149 1,150 1,158 2,164 1,169 9,171 5,172 7,176 3,178 10,182 9,186 3,189 7,192 1,193 16,197 1,199 5,203 9,206 1,211 8,214 2,215 5,218 1,222 7,226 6,229 2,233 4,236 1,237 8,242 2,244 2,249 4,256 4,259 2034,260 23.186,261 23.186,262 23.186,263 23.186,264 23.186,265 20.507,266 27.23,267 13.621,268 23.72,269 18.739,270 18.739,271 18.739,272 18.739,273 18.739,274 14.68,275 35.354,276 6.436,277 19.631,278 4.388,279 2.385,280 1.301,281 0.86,282 0.731,283 0.731,284 4.266,289 1,290 1129,291 4,294 187.428,295 355.929,298 160.467,302 2.213,303 30.842,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 73,315 509,316 4.937,317 4.727,318 7.692,319 4.453,320 3.529,321 4.758,322 0.8,323 13.676,324 3.239,325 4.568,326 3.197,327 6.566,328 4.099,329 3.118,330 4.518,331 0.4,332 10.431,333 3.062,334 4.129,335 2.964,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.578,343 3.735,344 2.882,345 5.974,346 3.604,347 2.659,348 3.105,350 8.097,351 2.507,352 3.544,353 2.667,354 5.343,355 3.254,356 2.316,357 2.813,359 6.825,360 2.173,361 3.43,362 2.185,363 5.128,364 3.021,365 2.038,366 2.659,368 6.001,369 2.003,370 3.257,371 1.975,372 4.939,373 2.927,374 1.943,375 2.59,377 5.243,378 1.901,379 3.219,380 1.795,381 4.514,382 2.73,383 1.776,384 2.26,386 4.655,387 1.69,388 2.744,389 1.482,390 4.134,391 2.33,392 1.346,393 1.849,395 3.485,396 1.322,397 2.696,398 1.35,399 3.92,400 2.23,401 1.25,402 1.76,404 2.927,405 1.22,406 2.5,407 1.157,408 3.496,409 2.088,410 1.119,411 1.5,413 2.55,414 1.081,415 2.431,416 1.077,417 3.414,418 2,419 1,420 1.406,422 2.275,423 1,424 2.277,425 1,426 3.408,427 1.984,428 1,429 1.218,431 2.136,432 0.983,433 2.118,434 0.966,435 3.31,436 1.869,437 0.905,438 1,440 2.129,441 0.87,442 2.047,443 0.879,444 3.247,445 1.717,446 0.761,447 0.927,449 1.899,450 0.725,451 16.4,452 0.482,453 0.824,454 0.024,455 43.5,456 1.279,457 21,458 0.618,459 22.5,460 0.662,461 31.188,462 0.917,463 37,464 0.578,465 32.899,466 0.968,467 8.205,468 0.241,469 8.315,470 0.245,471 0.071,472 0.051,473 0.256,479 0.577,480 1.468,481 0.83,482 1.265,483 0.607,484 1.02,485 0.807,486 1.008,487 0.878,488 0.884,489 0.545,490 0.92,491 0.909,492 1.129,493 1.228,494 1.238,495 0.694,496 1.086,497 1.376,498 1.029,499 1.259,500 1.156,501 1.555,502 1.1,503 1.181,504 0.994,505 1.057,506 1.05,507 1.431,508 1.012,509 1.042,510 0.813,511 0.819,512 0.754,513 1.13,514 0.902,515 0.515,516 1.12,517 0.926,518 1.112,519 0.362,520 1.14,521 0.915,522 0.873,523 0.975,524 0.91,525 0.789,526 0.994,527 6.5,528 0.157,529 4.889,530 2.319,531 1.614,532 1.09,533 0.607,534 0.336,535 0.233,536 0.188,537 20266,538 52018,539 2.138,540 46.9,541 2,542 18,543 1,544 2,545 1,547 2,548 4,550 1.753,551 2.03,552 3.839,553 -0.334,559 103.187,560 1.612,561 3.615,562 4.699,563 5.14,564 5.269,565 5.269,566 3.257,567 4.455,568 5.063,569 4.044,570 2268.5,571 8.834,572 36915.3,577 384,578 1.396,579 5.027,580 0.171,581 0.006,582 0.091,583 0.043,584 0.033,585 0.025,586 0.015,587 0.009,588 0.008,589 0.007,590 0.407,591 0.17,592 0.75,593 0.459,594 186.578,595 0.159,596 -0.22,597 0.213,598 -0.11,599 -0.073,600 -0.006,601 0.177,602 0.142,603 0.06,604 0.105,605 0.236,606 0.038,607 -0.064,608 -0.07,609 -0.086,610 -0.1,611 0.087,612 -0.062,613 -0.167,614 -0.059,615 -0.16,616 -0.093,617 -0.105,618 -0.106,619 -0.076,620 -0.093,621 -0.048,622 -0.056,623 -0.1,624 -0.014,625 -0.027,626 0.09,627 0.024,628 0.114,629 -0.09,630 0.066,631 0.07,632 -0.159,633 -0.046,634 -0.153,635 0.026,636 -0.127,637 -0.078,638 0.045,639 -0.049,640 0.011,641 -0.073,642 -0.01,643 4.358,644 5.923,645 0.765,646 38.813,647 0.999,648 1.13,649 3.337,650 11.136,651 0.668,652 3.664,653 4.007,654 4.304,655 4.522,656 4.673,657 4.745,658 4.89,659 4.963,660 4.984,661 5.037,662 8.809,663 0.626,664 478.68,665 3.664,666 5.22,667 6.084,668 6.967,669 7.845,670 8.732,671 9.615,672 10.504,673 11.39,674 12.28,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 23,717 2,718 38,720 68,721 25,722 16,723 4,724 8,730 5,731 6,740 3,743 5,745 16,746 9,750 2,753 1,755 2,764 30,765 6,766 1,767 9,768 1,773 6,777 0.8,778 2,788 1,792 2,793 3,796 1,815 1,819 4,821 1,823 1,827 34,830 1,833 7,837 1,838 2,844 1,847 3.1,850 2,854 16.75,855 11.5,856 7.361,857 3.922,858 3.516,859 1.426,860 1.013,861 6.73,862 11.772,863 3.942,864 4.564,865 5.14,866 5.685,867 6.104,868 6.429,869 6.872,870 7.221,871 7.401,872 7.617,873 0.9,874 54,875 12.816,877 5.708,878 7.664,879 24.649,881 21.064,883 2.164,884 73.583,888 341.362,889 144.964,890 56.654,892 44.313,894 5.807,895 139.156,896 385.675,897 56.654,898 8.396,899 16.455,900 90.665,901 118.418,902 33.394,903 13.915,904 306.049,906 341.362,907 195.81,908 44.313,909 5.807,911 270.735,912 114.94,915 57.02,916 105.464,917 39.133,919 341.362,920 100.966,921 144.964,923 5.807,924 341.362,925 28.665,926 117.033,927 16.786,928 77.639,929 341.362,930 100.966,931 144.964,933 0.587,934 0.352,935 0.183,936 0.09,937 27,938 11,939 0.118,940 8,941 1,942 1.077,943 4.642,944 314.81,945 0.077,946 26,947 158.974,950 1,951 23.097,952 9.907,953 4.93,954 2.368,955 82.282,956 20.573,957 7.796,958 3.378,961 2.731,962 1.912,963 16.786,964 587.292,965 50.5,968 -3.442,970 25.847,975 63.945,976 72.311,977 0.269,978 0.603,979 0.783,980 0.857,981 0.878,982 0.878,983 5.189,984 1.776,985 6.089,986 5.243,987 4.691,988 5.252,989 0.824,990 6.948,991 4.599,992 6.408,993 1.346,994 7.687,995 4.655,996 4.369,997 5.223,998 0.325,999 8.155,1000 4.184,1001 7.747,1002 1.25,1003 9.405,1004 3.485,1005 6.365,1006 7.554,1007 0.413,1008 11.248,1009 6.158,1010 9.135,1011 1.119,1012 11.203,1013 2.927,1014 6.938,1015 8.446,1016 0.268,1017 13.352,1018 6.625,1019 10.567,1020 1,1021 13.055,1022 2.55,1023 8.403,1024 10.252,1025 0.246,1026 16.058,1027 8.061,1028 12.031,1029 1,1030 14.947,1031 2.275,1032 9.356,1033 11.525,1034 0.188,1035 18.481,1036 8.911,1037 13.519,1038 0.905,1039 16.867,1040 2.136,1041 10.646,1042 13.155,1043 0.157,1044 21.103,1045 10.156,1046 3.529,1047 0.761,1048 18.81,1049 2.129,1050 11.761,1051 14.584,1052 0.125,1053 23.641,1054 11.174,1055 3.118,1056 13.676,1057 20.771,1058 1.899,1059 13.001,1060 16.154,1061 0.102,1062 26.247,1063 12.352,1064 2.753,1065 10.431,1066 22.747,1067 4.758,1068 14.184,1069 17.647,1070 0.082,1071 28.829,1072 13.445,1073 2.659,1074 8.884,1075 24.734,1076 4.518,1077 15.415,1078 19.196,1079 0.067,1080 31.436,1081 14.602,1082 2.316,1083 8.097,1084 26.731,1085 3.731,1086 16.63,1087 20.717,1088 0.054,1089 34.036,1090 15.728,1091 2.038,1092 6.825,1093 28.735,1094 3.105,1095 17.863,1096 22.261,1097 0.043,1098 36.646,1099 16.881,1100 1.943,1101 6.001,1102 30.745,1103 2.813,1104 19.094,1105 23.794,1106 0.035,1107 39.253,1108 18.023,1109 18638,1110 30051,1111 25.83,1112 42.728,1113 57.814,1114 57.738,1115 58.065,1116 57.439,1117 57.412,1118 75.516,1119 2.4,1120 167.982,1121 54.923,1122 5.937,1123 6.727,1124 7.493,1125 5.513,1126 5.529,1127 7.758,1128 1.2,1129 21.9,1130 5.239,1131 13.462,1132 1.521,1133 1.519,1134 1.528,1135 1.512,1136 1.511,1137 1.987,1138 0.063,1139 4.421,1140 1.445,1141 4.159,1142 4.195,1143 4.742,1144 4.087,1145 7.715,1146 4.072,1147 4.085,1148 4.076,1149 4.112,1150 4.047,1151 6.999,1152 3.979,1153 3.852,1154 3.915,1155 3.79,1156 3.709,1157 5.135,1158 3.707,1159 3.821,1160 3.889,1161 3.73,1162 3.59,1163 4.927,1164 3.624,1165 3.639,1166 3.673,1167 3.668,1168 3.526,1169 4.716,1170 3.476,1171 3.494,1172 3.535,1173 3.376,1174 3.367,1175 4.361,1176 3.346,1177 3.28,1178 3.342,1179 3.182,1180 3.12,1181 4.255,1182 3.12,1183 3.125,1184 3.206,1185 2.972,1186 2.941,1187 4.038,1188 2.91,1189 0.13,1190 0.124,1191 0.202,1192 0.117,1193 0.093,1194 4.937,1195 0.125,1196 4.727,1197 0.021,1198 7.692,1199 0.36,1200 4.453,1201 0.085,1202 3.529,1203 4.758,1204 0.8,1205 13.676,1206 3.239,1207 1.973,1208 1.977,1209 2.068,1210 2.08,1211 1.443,1212 2.108,1213 1.96,1214 1.936,1215 2.029,1216 2.05,1217 1.283,1218 2.05,1219 1.835,1220 1.777,1221 1.991,1222 1.981,1223 1.16,1224 2.002,1225 1.669,1226 1.617,1227 1.874,1228 1.835,1229 1.111,1230 1.854,1231 1.483,1232 1.473,1233 1.634,1234 1.696,1235 0.825,1236 1.708,1237 1.399,1238 1.332,1239 1.567,1240 1.639,1241 0.818,1242 1.63,1243 1.298,1244 1.243,1245 1.513,1246 1.489,1247 0.704,1248 1.505,1249 1.153,1250 1.064,1251 1.48,1252 1.442,1253 0.58,1254 1.429,1255 4.344,1257 5.68,1258 3.045,1259 7.212,1260 5.283,1261 8.828,1262 7.286,1263 10.49,1265 1.716,1271 6.631,1275 0.047,1276 4.024,1280 40.067,1281 103.187,1282 231.378,1283 300.716,1284 328.98,1285 337.245,1286 337.245,1287 61.533,1288 8.256,1289 87.12,1290 95.5,1291 28,1292 12.81,1293 4.585,1294 3.755,1295 50.473,1296 186,1297 152,1298 0.131,1299 247.155,1300 413.99,1301 594.817,1302 54302,1304 23.545,1305 0.693,1306 0.593,1307 23.795,1308 20.155,1309 16.52,1310 0.435,1311 0.346,1312 11.691,1313 15.101,1314 11.315,1315 9.356,1316 17.309,1317 13.167,1318 15.036,1319 0.278,1320 0.202,1321 16.378,1322 10.921,1323 13.286,1324 0.182,1325 0.121,1326 14.661,1327 8.804,1328 10.567,1329 0.116,1330 0.069,1331 11.614,1332 6.259,1333 7.882,1334 0.074,1335 0.04,1336 8.707,1337 4.283,1338 0.215,1339 111.248,1340 0.197,1341 32.209,1342 0.336,1343 184,1344 492.89,1345 239.713,1346 501.646,1347 693.41,1348 466,1349 219,1350 495.397,1351 283.971,1352 539.882,1353 785.18,1354 506,1355 8.824} {0 CHEMBL357681,1 1.548,2 15.977,3 2.798,4 7.83,5 171.442,6 7.103,7 0.255,8 4.515,9 4.641,10 4.024,11 4.012,12 5.622,13 3.986,14 5.079,15 5.264,16 4.384,17 4.427,18 6.201,19 4.375,20 5.368,21 5.572,22 4.562,23 4.659,24 6.384,25 4.595,26 5.571,27 5.773,28 4.662,29 4.758,30 6.716,31 4.689,32 5.656,33 5.875,34 4.628,35 4.791,36 6.751,37 4.703,38 5.666,39 5.916,40 4.551,41 4.768,42 6.706,43 4.646,44 5.668,45 5.943,46 4.365,47 4.679,48 6.603,49 4.539,50 5.514,51 5.78,52 4.329,53 4.545,54 6.49,55 4.416,56 0.155,57 1.223,58 18.473,59 7.832,60 15.493,61 10.656,62 0.58,63 1.95,64 35.211,65 13.057,66 80.496,67 18.443,68 0.407,69 2.51,70 47.464,71 17.435,72 67.289,73 24.67,74 0.904,75 2.834,76 60.412,77 20.967,78 144.719,79 28.733,80 1.053,81 3.013,82 66.941,83 21.98,84 165.599,85 30.995,86 0.968,87 3.079,88 67.633,89 22.279,90 155.576,91 33.143,92 1.052,93 2.909,94 70.187,95 21.158,96 157.681,97 31.969,98 0.859,99 2.501,100 59.435,101 19.335,102 116.131,103 28.439,104 96,105 66,106 0.232,107 0.542,108 0.716,109 0.794,110 0.823,111 0.83,112 3.81,113 0.956,114 -4.14,115 -4.08,116 -3.86,119 38.8,120 3,121 3,122 1,123 1,124 1,125 5,135 2,137 2,140 9,141 2,142 1,156 3,164 2,169 16,171 2,172 9,174 2,176 8,178 22,182 15,186 3,189 19,193 18,195 3,196 2,197 7,199 18,202 2,203 13,208 6,211 9,214 2,215 15,218 2,219 1,220 12,222 11,226 8,231 1,233 6,236 2,237 9,240 4,242 3,244 10,248 4,249 7,252 8,254 2,256 4,259 4374,260 29.412,261 29.412,262 29.412,263 29.412,264 29.412,265 26.722,266 44.642,267 17.239,268 29.925,269 22.973,270 22.973,271 22.973,272 22.973,273 22.973,274 18.829,275 57.414,276 7.834,277 23.537,278 4.862,279 2.798,280 1.645,281 1.121,282 0.93,283 0.883,284 4.497,290 1479,291 5.148,295 675.002,302 2.118,303 61.449,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 96.5,315 703,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.113,322 2.612,323 14.979,324 3.59,325 4.645,326 3.897,327 7.139,328 4.349,329 3.353,330 3.972,331 2.491,332 12.446,333 3.338,334 4.242,335 3.777,336 6.298,337 3.738,338 2.763,339 3.911,340 1.36,341 9.204,342 2.707,343 4.107,344 3.556,345 5.943,346 3.708,347 2.704,348 3.499,349 1.058,350 8.264,351 2.692,352 3.769,353 3.159,354 5.713,355 3.383,356 2.456,357 3.21,358 1.058,359 7.489,360 2.33,361 3.631,362 3.053,363 5.46,364 3.356,365 2.376,366 3.04,367 0.8,368 6.944,369 2.278,370 3.461,371 2.764,372 5.337,373 3.167,374 2.176,375 2.499,376 0.759,377 6.11,378 2.144,379 3.385,380 2.745,381 5.067,382 3.088,383 2.111,384 2.462,385 0.473,386 5.801,387 2.047,388 3.156,389 2.378,390 4.696,391 2.757,392 1.781,393 2.209,394 0.359,395 4.656,396 1.73,397 3.023,398 2.154,399 4.58,400 2.624,401 1.654,402 2.142,404 4.177,405 1.586,406 3.005,407 2.009,408 4.53,409 2.536,410 1.56,411 2.108,413 4.062,414 1.519,415 2.599,416 1.702,417 3.802,418 2.351,419 1.351,420 1.601,422 2.969,423 1.346,424 2.511,425 1.633,426 3.777,427 2.157,428 1.171,429 1.5,431 2.78,432 1.15,433 2.5,434 1.51,435 3.68,436 2.1,437 1.114,438 1.5,440 2.647,441 1.095,442 2.5,443 1.461,444 3.59,445 2,446 1,447 1.488,449 2.372,450 1,451 20.5,452 0.466,453 1.136,454 0.026,455 50.25,456 1.142,457 22.5,458 0.511,459 27.75,460 0.631,461 50.898,462 1.157,463 49.7,464 0.585,465 49.223,466 1.119,467 10.036,468 0.228,469 11.086,470 0.252,471 0.179,472 0.024,473 0.307,479 0.588,480 1.345,481 0.824,482 1.167,483 0.514,484 1.054,485 0.633,486 1.086,487 0.842,488 0.98,489 0.44,490 0.946,491 0.787,492 1.098,493 0.901,494 1.066,495 0.668,496 1,497 1.149,498 1.068,499 1.046,500 1.095,501 1.167,502 1.065,503 1.213,504 1.102,505 1.107,506 1.061,507 1.202,508 1.07,509 0.729,510 1.146,511 0.996,512 1.123,513 0.66,514 1.108,515 1.005,516 0.952,517 1.054,518 0.944,519 0.95,520 0.99,521 0.797,522 1.007,523 0.92,524 1.043,525 0.89,526 1.015,527 9,528 0.339,529 6.222,530 4.188,531 3.16,532 2.403,533 1.252,534 0.872,535 0.674,536 0.365,537 33435,538 93496,539 1.988,540 48.2,541 1,542 22,545 3,547 13,548 2,550 1.822,551 1.827,552 3.86,553 0.718,559 131.554,560 1.548,561 3.612,562 4.765,563 5.288,564 5.48,565 5.527,566 3.291,567 4.789,568 5.433,569 4.131,570 3907.67,571 9.618,572 74571.1,577 544.798,578 1.621,579 5.365,580 0.191,581 0.008,582 0.094,583 0.054,584 0.039,585 0.031,586 0.018,587 0.015,588 0.012,589 0.007,590 0.469,591 0.33,592 0.63,593 1.183,594 257.247,595 0.073,596 -0.056,597 0.045,598 -0.007,599 -0.004,600 0.007,601 0.136,602 0.07,603 0.079,604 0.095,605 0.155,606 0.081,607 -0.048,608 0.018,609 0.025,610 -0.006,611 0.002,612 0.027,613 -0.07,614 -0.03,615 -0.066,616 -0.066,617 -0.058,618 -0.069,619 -0.135,620 -0.095,621 -0.117,622 -0.056,623 -0.116,624 -0.084,625 0.056,626 -0.138,627 -0.034,628 -0.132,629 0.065,630 -0.106,631 -0.115,632 0.001,633 -0.06,634 -0.001,635 -0.097,636 -0.014,637 0.062,638 -0.062,639 0.063,640 -0.071,641 -0.02,642 -0.019,643 2.48,644 6.665,645 0.545,646 57.783,647 1.004,648 1.132,649 2.905,650 8.44,651 0.641,652 3.871,653 4.205,654 4.511,655 4.771,656 4.997,657 5.094,658 5.153,659 5.198,660 5.182,661 5.069,662 9.529,663 0.61,664 603.79,665 3.871,666 5.425,667 6.29,668 7.185,669 8.075,670 8.98,671 9.88,672 10.791,673 11.695,674 12.608,675 5.9,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 85,716 19,717 2,718 47,720 88,721 33,722 12,723 3,724 9,725 6,730 4,731 4,736 3,737 1,739 1,740 2,741 1,743 3,745 19,746 14,747 1,750 7,752 1,755 5,759 7,764 41,765 10,766 3,767 11,773 5,777 1,778 6,793 4,805 2,808 1,810 2,811 2,814 1,815 1,819 4,823 4,827 44,833 8,834 3,835 1,837 1,838 1,839 1,847 7.1,850 3,852 1,853 2,854 24.083,855 16.233,856 9.972,857 5.292,858 2.607,859 1.314,860 0.937,861 11.227,862 10.897,863 4.111,864 4.644,865 5.136,866 5.608,867 6.06,868 6.277,869 6.563,870 6.846,871 7.045,872 6.851,873 1,874 78,875 16.468,877 7.09,878 7.938,879 30.967,881 25.361,883 2.438,884 107.25,888 447.302,889 178.39,890 62.827,892 137.182,895 178.39,896 584.483,897 62.827,898 43.029,899 54.154,900 103.297,901 97.549,902 29.623,904 447.302,905 50.747,906 447.302,907 241.217,908 137.182,911 270.735,912 263.001,913 50.747,915 101.764,916 128.269,917 11.184,919 447.302,920 200.008,921 178.39,924 447.302,925 55.745,926 131.439,927 54.032,928 137.182,929 447.302,930 200.008,931 178.39,933 0.578,934 0.354,935 0.196,936 0.107,937 28,938 15,939 0.136,940 12,942 1,943 4.999,944 450.583,946 24,947 226.215,951 33.222,952 14.87,953 7.357,955 194.338,956 15.755,961 1.519,963 54.032,964 825.7,965 60,967 -0.48,970 62.182,974 1.22,975 85.378,976 96.222,977 0.241,978 0.563,979 0.743,980 0.825,981 0.855,982 0.862,983 5.375,984 2.111,985 6.304,986 6.11,987 4.89,988 5.333,989 3.49,990 7.198,991 4.852,992 6.583,993 1.781,994 7.926,995 5.801,996 4.635,997 5.223,998 3.058,999 8.523,1000 4.602,1001 7.913,1002 1.654,1003 9.668,1004 4.656,1005 6.581,1006 7.454,1007 4.819,1008 11.656,1009 6.521,1010 9.281,1011 1.56,1012 11.489,1013 4.177,1014 7.194,1015 8.149,1016 5.149,1017 13.898,1018 7.149,1019 10.687,1020 1.351,1021 13.366,1022 4.062,1023 8.647,1024 9.891,1025 6.502,1026 16.663,1027 8.586,1028 12.119,1029 1.171,1030 15.284,1031 2.969,1032 9.636,1033 10.935,1034 7.134,1035 19.21,1036 9.588,1037 13.571,1038 1.114,1039 17.232,1040 2.78,1041 10.934,1042 12.487,1043 8.299,1044 21.901,1045 10.878,1046 3.6,1047 1,1048 19.204,1049 2.647,1050 12.08,1051 13.695,1052 9.072,1053 24.543,1054 12.031,1055 3.353,1056 14.979,1057 21.195,1058 2.372,1059 13.336,1060 15.163,1061 10.14,1062 27.226,1063 13.283,1064 2.763,1065 12.446,1066 23.2,1067 4.113,1068 14.546,1069 16.454,1070 10.987,1071 29.9,1072 14.497,1073 2.704,1074 9.204,1075 25.217,1076 3.972,1077 15.796,1078 17.882,1079 12.003,1080 32.587,1081 15.745,1082 2.456,1083 8.264,1084 27.243,1085 3.911,1086 17.034,1087 19.217,1088 12.891,1089 35.275,1090 16.983,1091 2.376,1092 7.489,1093 29.277,1094 3.499,1095 18.287,1096 20.626,1097 13.877,1098 37.967,1099 18.235,1100 2.176,1101 6.944,1102 31.316,1103 3.21,1104 19.539,1105 21.986,1106 14.789,1107 40.661,1108 19.485,1109 32497,1110 54574,1111 30.224,1112 54.461,1113 70.363,1114 73.858,1115 75.041,1116 69.584,1117 69.629,1118 86.739,1119 21.941,1120 204.835,1121 68.254,1122 5.705,1123 6.2,1124 7.745,1125 5.64,1126 5.6,1127 7.113,1128 4.612,1129 22.771,1130 5.59,1131 28.125,1132 1.497,1133 1.571,1134 1.597,1135 1.481,1136 1.481,1137 1.846,1138 0.467,1139 4.358,1140 1.452,1141 4.073,1142 4.103,1143 4.026,1144 3.981,1145 7.815,1146 3.985,1147 3.995,1148 4.026,1149 3.931,1150 3.918,1151 7.434,1152 3.916,1153 3.874,1154 3.905,1155 3.839,1156 3.72,1157 7.429,1158 3.736,1159 3.767,1160 3.823,1161 3.659,1162 3.633,1163 7.426,1164 3.631,1165 3.639,1166 3.696,1167 3.55,1168 3.457,1169 6.999,1170 3.466,1171 3.569,1172 3.639,1173 3.455,1174 3.377,1175 4.764,1176 3.379,1177 3.464,1178 3.49,1179 3.414,1180 3.244,1181 4.719,1182 3.236,1183 3.429,1184 3.473,1185 3.312,1186 3.091,1187 4.529,1188 3.156,1189 0.1,1190 0.089,1191 0.169,1192 0.098,1193 0.077,1194 4.705,1195 0.088,1196 4.2,1197 0.056,1198 7.943,1199 0.319,1200 4.599,1201 0.076,1202 3.6,1203 4.113,1204 2.612,1205 14.979,1206 3.59,1207 1.997,1208 1.975,1209 2.108,1210 2.118,1211 1.452,1212 2.103,1213 1.977,1214 1.949,1215 2.083,1216 2.089,1217 1.312,1218 2.095,1219 1.799,1220 1.767,1221 1.953,1222 1.994,1223 1.2,1224 1.959,1225 1.754,1226 1.7,1227 1.909,1228 1.915,1229 1.017,1230 1.926,1231 1.598,1232 1.541,1233 1.841,1234 1.816,1235 1.01,1236 1.823,1237 1.54,1238 1.468,1239 1.818,1240 1.766,1241 0.977,1242 1.784,1243 1.393,1244 1.336,1245 1.666,1246 1.632,1247 0.825,1248 1.616,1249 1.277,1250 1.224,1251 1.597,1252 1.626,1253 0.773,1254 1.586,1255 4.554,1257 5.883,1259 7.426,1261 9.072,1263 10.778,1265 6.828,1271 5.037,1272 9.048,1273 5.201,1275 -0.699,1276 2.294,1277 -0.654,1280 51.878,1281 131.554,1282 306.984,1283 405.011,1284 449.514,1285 465.779,1286 469.779,1287 150.559,1288 8.29,1289 145.59,1290 145.59,1291 24,1292 13.123,1293 4.322,1294 3.807,1295 85.376,1296 253,1297 240,1298 0.16,1299 320.564,1300 584.28,1301 773.937,1302 52984,1304 31.855,1305 0.724,1306 0.586,1307 31.855,1308 25.774,1309 21.122,1310 0.449,1311 0.319,1312 14.766,1313 20.199,1314 14.323,1315 11.917,1316 21.122,1317 14.982,1318 18.69,1319 0.283,1320 0.17,1321 18.69,1322 11.234,1323 15.878,1324 0.176,1325 0.095,1326 15.878,1327 8.573,1328 13.252,1329 0.113,1330 0.054,1331 13.252,1332 6.295,1333 10.248,1334 0.07,1335 0.03,1336 10.248,1337 4.448,1338 0.257,1339 133.409,1340 0.182,1341 38.953,1342 0.423,1343 226,1344 700.702,1345 249.385,1346 665.568,1347 882.43,1348 616,1349 269,1350 630.566,1351 291.782,1352 633.135,1353 921.82,1354 592,1355 5.317} {0 CHEMBL357830,1 1.497,2 20.727,3 3.081,4 9.49,5 171.748,6 6.828,7 0.408,8 4.567,9 4.7,10 4.057,11 4.063,12 5.572,13 4.036,14 5.156,15 5.342,16 4.416,17 4.502,18 6.091,19 4.442,20 5.464,21 5.692,22 4.487,23 4.681,24 6.384,25 4.579,26 5.538,27 5.774,28 4.415,29 4.7,30 6.413,31 4.57,32 5.592,33 5.866,34 4.349,35 4.595,36 6.47,37 4.458,38 5.447,39 5.718,40 4.236,41 4.456,42 6.322,43 4.346,44 5.265,45 5.497,46 4.241,47 4.421,48 6.23,49 4.324,50 5.315,51 5.548,52 4.246,53 4.435,54 6.299,55 4.326,56 0.074,57 1.309,58 20.526,59 8.054,60 14.188,61 11.355,62 0.383,63 2.129,64 38.857,65 13.988,66 35.488,67 20.115,68 0.8,69 2.616,70 54.614,71 19.138,72 79.326,73 27.723,74 0.461,75 2.721,76 58.608,77 21.174,78 68.295,79 30.468,80 0.823,81 2.621,82 64.333,83 20.666,84 102.142,85 30.49,86 0.82,87 2.294,88 56.274,89 16.375,90 88.908,91 24.572,92 0.597,93 2.083,94 45.255,95 14.922,96 64.732,97 21.668,98 0.6,99 2.099,100 47.755,101 16.52,102 78.339,103 23.368,104 25,105 68,106 0.223,107 0.533,108 0.684,109 0.718,110 0.718,111 0.718,112 3.809,113 0.976,114 -2.47,115 -2.5,116 -2.45,119 38.6,121 6,122 2,125 8,140 6,141 4,142 2,149 2,150 2,156 2,161 2,162 2,163 2,169 13,171 2,172 8,176 8,178 14,180 2,181 4,182 6,186 8,189 12,191 2,193 8,197 2,199 4,201 2,203 20,206 2,207 2,208 2,210 2,211 2,213 2,215 12,220 2,224 2,225 1,226 10,228 2,229 2,231 2,233 8,235 2,237 8,240 4,244 12,248 2,256 12,259 4712,260 30.411,261 30.411,262 30.411,263 30.411,264 30.411,265 27.891,266 29.639,267 17.978,268 30.965,269 24.103,270 24.103,271 24.103,272 24.103,273 24.103,274 20.026,275 26.853,276 8.346,277 24.963,278 4.962,279 2.883,280 1.87,281 1.636,282 1.636,283 1.636,284 4.523,290 2014,291 4.472,294 271.371,295 630.141,298 472.422,302 3.479,303 43.305,306 0.5,307 0.17,308 0.5,309 0.8,310 1,311 0.33,313 0.47,314 95,315 912,316 4.55,317 3.741,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.55,326 3.739,327 6.546,328 4.076,329 3.092,330 4.504,331 2.055,332 10.36,333 3.043,334 4.016,335 3.182,336 6.186,337 3.92,338 2.941,339 3.183,340 0.933,341 9.17,342 2.886,343 3.954,344 3.182,345 6.024,346 3.744,347 2.788,348 3.174,349 0.933,350 8.564,351 2.658,352 3.764,353 2.872,354 5.958,355 3.605,356 2.628,357 3.073,358 0.51,359 8.361,360 2.553,361 3.695,362 2.745,363 5.315,364 3.31,365 2.367,366 3.048,367 0.51,368 6.857,369 2.231,370 3.668,371 2.732,372 5.314,373 3.298,374 2.352,375 2.775,377 6.852,378 2.225,379 3.344,380 2.383,381 5.097,382 2.946,383 1.976,384 2.672,386 5.915,387 1.908,388 3.343,389 2.187,390 5.096,391 2.938,392 1.969,393 2.67,395 5.914,396 1.898,397 2.946,398 2.157,399 4.547,400 2.796,401 1.793,402 1.949,404 4.727,405 1.79,406 2.749,407 2.142,408 4.217,409 2.44,410 1.471,411 1.851,413 3.859,414 1.412,415 2.741,416 1.476,417 4.161,418 2.305,419 1.327,420 1.84,422 3.538,423 1.296,424 2.635,425 1.476,426 4.138,427 2.299,428 1.317,429 1.603,431 3.471,432 1.292,433 2.342,434 1.411,435 4.007,436 2.135,437 1.18,438 1.309,440 3.206,441 1.119,442 2.331,443 1.379,444 3.414,445 2.019,446 1.067,447 1.288,449 2.275,450 1.012,451 20.733,452 0.471,453 0.913,454 0.021,455 49,456 1.114,457 20,458 0.455,459 29,460 0.659,461 48.615,462 1.105,463 49.467,464 0.562,465 39.874,466 0.906,467 9.263,468 0.211,469 12.254,470 0.278,471 0.071,473 0.328,479 0.874,480 1.357,481 0.883,482 1.147,483 0.7,484 1.024,485 0.968,486 1.149,487 0.981,488 1.069,489 0.647,490 1.026,491 0.896,492 0.978,493 0.995,494 1.012,495 0.838,496 1.015,497 0.976,498 1.189,499 1.084,500 1.242,501 1.081,502 1.194,503 1.097,504 0.977,505 0.941,506 0.995,507 1.06,508 0.963,509 1.522,510 0.855,511 1.025,512 0.796,513 1.211,514 0.833,515 1.197,516 1.009,517 1.072,518 1.042,519 1.229,520 1.039,521 1.188,522 1.08,523 1.032,524 1.133,525 1.558,526 1.087,527 8,528 0.179,529 5.778,530 2.458,531 1.911,532 1.57,533 0.919,534 0.578,535 0.525,536 0.406,537 45087,538 102529,539 2.136,540 50,541 2,542 22,543 2,545 6,547 12,550 1.814,551 2.031,552 4.277,553 2.82,559 131.731,560 1.497,561 3.576,562 4.59,563 4.823,564 4.823,565 4.823,566 3.698,567 4.187,568 5.43,569 4.504,570 4261.23,571 9.563,572 89437.7,577 568.43,578 1.289,579 5.405,580 0.163,581 0.004,582 0.085,583 0.035,584 0.031,585 0.028,586 0.018,587 0.011,588 0.01,589 0.009,590 0.393,591 0.17,592 0.63,593 0.844,594 265.411,595 -0.061,596 -0.065,597 0.052,598 0.004,599 -0.044,600 0.043,601 -0.027,602 0.016,603 -0.016,604 0.005,605 0.008,607 0.079,608 0.062,609 -0.018,610 0.021,611 0.051,612 -0.004,613 -0.06,614 -0.19,615 -0.118,616 -0.199,617 -0.068,618 -0.172,619 0.027,620 -0.073,621 0.068,622 -0.033,623 0.012,624 0.012,625 -0.189,626 0.073,627 0.015,628 0.131,629 -0.09,630 0.108,631 -0.05,632 0.017,633 -0.069,634 -0.042,635 -0.047,636 -0.055,637 0.014,638 -0.113,639 -0.029,640 -0.114,641 -0.066,642 -0.089,643 1.633,644 5.932,645 0.682,646 75.273,647 0.997,648 1.133,649 1.242,650 1.544,651 0.64,652 3.912,653 4.234,654 4.533,655 4.779,656 4.99,657 5.081,658 5.209,659 5.273,660 5.313,661 5.442,662 11.825,663 0.602,664 600.84,665 3.912,666 5.46,667 6.319,668 7.194,669 8.067,670 8.945,671 9.823,672 10.702,673 11.582,674 12.462,675 6.8,676 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,712 2,714 88,716 22,717 2,718 49,720 93,721 34,722 16,723 6,724 6,730 6,731 8,736 2,740 4,741 2,743 6,745 18,746 16,747 2,750 2,755 2,759 2,764 44,765 8,766 6,767 10,773 6,777 0.667,778 4,788 2,792 2,793 4,796 2,806 2,812 2,819 4,827 44,828 2,833 14,835 2,837 2,838 2,847 4.5,850 2,852 2,854 21.667,855 15.067,856 9.778,857 5.542,858 3.767,859 1.402,860 1,861 10.116,862 13.128,863 4.127,864 4.696,865 5.279,866 5.845,867 6.322,868 6.633,869 6.987,870 7.316,871 7.206,872 7.294,873 0.929,874 70,875 16.418,877 7.077,878 7.644,879 32.07,881 27.368,883 2.144,884 94.333,888 447.302,889 147.68,890 105.614,892 72.29,895 147.68,896 519.592,897 105.614,899 109.069,900 74.952,901 59.699,902 77.575,903 27.83,904 423.76,906 447.302,907 253.294,908 72.29,911 306.049,912 213.543,915 142.64,916 110.654,919 447.302,920 177.904,921 147.68,924 447.302,925 72.728,926 81.201,927 33.571,928 138.084,929 447.302,930 177.904,931 147.68,933 0.576,934 0.345,935 0.187,936 0.102,937 32,938 14,939 0.118,940 11,941 2,942 1.133,943 5.584,944 434.965,945 0.133,946 30,947 188.215,951 30.965,952 14.374,953 7.281,954 4.266,955 144.333,956 15.704,958 6.522,961 3.716,963 99.365,964 772.886,965 61,970 25.863,974 0.068,975 87.708,976 99.716,977 0.232,978 0.554,979 0.711,980 0.747,981 0.747,982 0.747,983 5.38,984 1.976,985 6.293,986 6.852,987 4.92,988 5.384,989 2.979,990 7.098,991 4.855,992 6.559,993 1.969,994 7.848,995 5.915,996 4.443,997 5.215,998 2.262,999 7.978,1000 4.371,1001 7.86,1002 1.793,1003 9.501,1004 5.914,1005 6.512,1006 7.574,1007 3.985,1008 11.058,1009 6.393,1010 9.197,1011 1.471,1012 11.212,1013 4.727,1014 6.889,1015 8.311,1016 3.959,1017 12.775,1018 6.766,1019 10.571,1020 1.327,1021 12.96,1022 3.859,1023 8.383,1024 10.141,1025 5.244,1026 15.348,1027 8.223,1028 11.97,1029 1.317,1030 14.734,1031 3.538,1032 9.146,1033 11.295,1034 5.541,1035 17.406,1036 8.982,1037 13.388,1038 1.18,1039 16.525,1040 3.471,1041 10.409,1042 12.927,1043 6.592,1044 19.807,1045 10.217,1046 3.092,1047 1.067,1048 18.33,1049 3.206,1050 11.355,1051 14.277,1052 7.062,1053 22.012,1054 11.154,1055 3.092,1056 10.36,1057 20.145,1058 2.275,1059 12.522,1060 15.831,1061 7.98,1062 24.355,1063 12.3,1064 2.941,1065 10.36,1066 21.968,1067 4.504,1068 13.553,1069 17.268,1070 8.549,1071 26.624,1072 13.321,1073 2.788,1074 9.17,1075 23.797,1076 4.504,1077 14.682,1078 18.792,1079 9.389,1080 28.949,1081 14.432,1082 2.628,1083 8.564,1084 25.632,1085 3.183,1086 15.754,1087 20.268,1088 10.017,1089 31.248,1090 15.492,1091 2.367,1092 8.361,1093 27.472,1094 3.174,1095 16.869,1096 21.78,1097 10.81,1098 33.571,1099 16.592,1100 2.352,1101 6.857,1102 29.315,1103 3.073,1104 17.962,1105 23.272,1106 11.474,1107 35.884,1108 17.671,1109 41359,1110 62533,1111 33.402,1112 56.319,1113 73.799,1114 75.444,1115 75.531,1116 73.165,1117 73.234,1118 90.791,1119 13.993,1120 209.292,1121 70.787,1122 5.55,1123 5.741,1124 6.313,1125 5.161,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 19.545,1132 1.506,1133 1.54,1134 1.541,1135 1.493,1136 1.495,1137 1.853,1138 0.286,1139 4.271,1140 1.445,1141 4.153,1142 4.186,1143 4.108,1144 4.063,1145 7.429,1146 4.07,1147 4.112,1148 4.143,1149 4.072,1150 4.028,1151 7.425,1152 4.035,1153 3.962,1154 4.016,1155 3.855,1156 3.836,1157 5.053,1158 3.831,1159 3.771,1160 3.827,1161 3.681,1162 3.569,1163 5.021,1164 3.585,1165 3.598,1166 3.644,1167 3.508,1168 3.434,1169 4.959,1170 3.439,1171 3.566,1172 3.629,1173 3.448,1174 3.421,1175 4.953,1176 3.418,1177 3.497,1178 3.555,1179 3.37,1180 3.284,1181 4.563,1182 3.306,1183 3.417,1184 3.478,1185 3.269,1186 3.187,1187 4.561,1188 3.201,1189 0.093,1190 0.076,1191 0.134,1192 0.083,1193 0.063,1194 4.55,1195 0.092,1196 3.741,1197 0.042,1198 6.546,1199 0.211,1200 4.076,1201 0.062,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.942,1208 1.919,1209 2.125,1210 2.093,1211 1.549,1212 2.105,1213 1.936,1214 1.918,1215 2.021,1216 2.029,1217 1.26,1218 2.025,1219 1.926,1220 1.88,1221 2.019,1222 2.02,1223 1.225,1224 2.02,1225 1.711,1226 1.651,1227 1.922,1228 1.927,1229 1.224,1230 1.927,1231 1.649,1232 1.591,1233 1.851,1234 1.846,1235 1.017,1236 1.854,1237 1.648,1238 1.589,1239 1.851,1240 1.845,1241 1.017,1242 1.853,1243 1.422,1244 1.39,1245 1.605,1246 1.682,1247 0.825,1248 1.657,1249 1.337,1250 1.293,1251 1.56,1252 1.612,1253 0.825,1254 1.6,1255 4.595,1257 5.916,1258 3.045,1259 7.428,1260 5.416,1261 9.025,1262 7.516,1263 10.666,1269 11.472,1271 9.888,1273 11.794,1275 1.169,1276 3.871,1280 52.997,1281 131.731,1282 314.694,1283 403.901,1284 424.43,1285 424.43,1286 424.43,1287 89.914,1288 9.361,1289 142.7,1290 142.7,1291 34,1292 12.998,1293 4.524,1294 3.7,1295 66.835,1296 318,1297 289,1298 0.099,1299 320.026,1300 553.76,1301 772.625,1302 233547,1304 30.468,1305 0.692,1306 0.576,1307 30.468,1308 25.355,1309 21.517,1310 0.439,1311 0.325,1312 15.718,1313 20.697,1314 15.452,1315 12.683,1316 21.517,1317 15.934,1318 18.917,1319 0.278,1320 0.178,1321 18.917,1322 12.134,1323 16.629,1324 0.181,1325 0.103,1326 16.629,1327 9.481,1328 13.696,1329 0.116,1330 0.059,1331 13.696,1332 6.933,1333 11.03,1334 0.076,1335 0.033,1336 11.03,1337 4.859,1338 0.165,1339 134.837,1340 0.173,1341 40.301,1342 0.245,1343 234,1344 611.523,1345 255.173,1346 583.183,1347 801.38,1348 550,1349 277,1350 587.604,1351 298.952,1352 590.651,1353 868.95,1354 559,1355 9.569} {0 CHEMBL358072,1 1.397,2 14.903,3 3.517,4 12.369,5 127.577,6 6.927,7 0.6,8 4.193,9 4.337,10 3.717,11 3.711,12 5.192,13 3.681,14 4.754,15 4.955,16 4.036,17 4.136,18 5.652,19 4.07,20 5.028,21 5.281,22 3.987,23 4.275,24 5.788,25 4.147,26 5.105,27 5.383,28 3.882,29 4.261,30 5.822,31 4.1,32 5.081,33 5.383,34 3.817,35 4.179,36 5.754,37 4.012,38 4.943,39 5.222,40 3.822,41 4.112,42 5.669,43 3.973,44 4.912,45 5.179,46 3.796,47 4.092,48 5.684,49 3.949,50 4.912,51 5.205,52 3.602,53 4.014,54 5.609,55 3.841,56 0.082,57 0.968,58 13.636,59 5.085,60 12.092,61 7.494,62 0.267,63 1.555,64 25.305,65 8.686,66 22.033,67 13.043,68 0.258,69 1.819,70 34.418,71 12.163,72 25.794,73 18.428,74 0.296,75 1.853,76 37.935,77 13.151,78 31.091,79 20.122,80 0.354,81 1.739,82 37.761,83 12.889,84 31.279,85 19.803,86 0.285,87 1.596,88 32.327,89 10.949,90 25.275,91 16.834,92 0.305,93 1.575,94 31.067,95 10.748,96 28.232,97 16.335,98 0.308,99 1.487,100 31.735,101 10.484,102 27.378,103 16.235,105 47,106 0.225,107 0.583,108 0.763,109 0.844,110 0.859,111 0.859,112 3.471,113 0.958,114 -5.25,115 -5.14,116 -4.81,119 40,121 4,122 1,125 4,140 6,141 2,142 1,143 1,145 1,149 1,150 1,158 2,164 1,169 9,171 2,172 7,174 1,176 5,178 7,182 5,186 6,189 5,193 7,197 2,199 6,203 8,206 2,211 8,215 4,218 1,222 7,225 1,226 4,229 2,231 1,233 5,236 1,237 4,242 3,244 3,249 2,254 2,256 4,259 1707,260 21.792,261 21.792,262 21.792,263 21.792,264 21.792,265 19.353,266 25.966,267 13.201,268 22.258,269 17.335,270 17.335,271 17.335,272 17.335,273 17.335,274 13.753,275 29.941,276 6.329,277 18.092,278 4.51,279 2.283,280 1.163,281 0.658,282 0.567,283 0.567,284 4.187,288 1,289 1,290 1038,291 3,294 164.979,295 316.894,298 140.379,302 2.37,303 12.774,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 462,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.9,327 6.095,328 3.69,329 2.753,330 3.731,331 0.4,332 8.884,333 2.585,334 3.905,335 2.869,336 5.509,337 3.636,338 2.676,339 3.445,341 7.438,342 2.571,343 3.647,344 2.673,345 5.338,346 3.442,347 2.504,348 2.813,350 6.961,351 2.35,352 3.432,353 2.301,354 5.139,355 3.155,356 2.194,357 2.654,359 6.312,360 2.1,361 3.254,362 2.175,363 5.092,364 2.996,365 2.02,366 2.589,368 5.992,369 1.962,370 3.2,371 1.795,372 4.514,373 2.73,374 1.776,375 2.235,377 4.655,378 1.69,379 2.902,380 1.574,381 4.134,382 2.473,383 1.499,384 2.047,386 3.483,387 1.457,388 2.742,389 1.368,390 3.642,391 2.314,392 1.329,393 1.847,395 3.152,396 1.308,397 2.5,398 1.167,399 3.474,400 2.097,401 1.131,402 1.5,404 2.55,405 1.09,406 2.428,407 1.077,408 3.414,409 1.984,410 1,411 1.403,413 2.275,414 0.983,415 2.263,416 1,417 3.32,418 1.959,419 1,420 1.207,422 2.136,423 0.956,424 2.118,425 0.951,426 3.247,427 1.866,428 0.901,429 1,431 2.106,432 0.867,433 2.004,434 0.842,435 3.19,436 1.645,437 0.696,438 0.927,440 1.628,441 0.658,442 2,443 0.646,444 3.086,445 1.524,446 0.618,447 0.857,449 1.372,450 0.556,451 14.8,452 0.477,453 0.496,454 0.016,455 39.5,456 1.274,457 18.5,458 0.597,459 21,460 0.677,461 26.897,462 0.868,463 33.2,464 0.553,465 25.694,466 0.829,467 7.478,468 0.241,469 7.871,470 0.254,473 0.257,479 0.924,480 1.432,481 0.849,482 1.137,483 0.666,484 1.01,485 1.12,486 1.096,487 1.025,488 1.029,489 0.781,490 1.018,491 0.96,492 1.068,493 1.041,494 1.085,495 0.76,496 1.075,497 0.91,498 1.031,499 1.044,500 1.085,501 0.84,502 1.081,503 0.754,504 0.855,505 0.876,506 0.908,507 0.78,508 0.907,509 0.896,510 0.956,511 0.93,512 0.956,513 0.846,514 0.948,515 0.835,516 1.036,517 1.03,518 1.104,519 0.94,520 1.092,521 0.999,522 0.933,523 1.066,524 1.018,525 1.088,526 1.045,527 4.5,528 0.078,529 2.889,530 0.819,531 0.997,532 0.764,533 0.364,534 0.242,535 0.183,536 0.148,537 16999,538 38237,539 2.221,540 48.3,541 2,542 14,543 1,544 3,545 2,547 7,550 1.728,551 2.188,552 3.834,553 0.193,555 1,559 83.841,560 1.397,561 3.624,562 4.744,563 5.248,564 5.34,565 5.34,566 3.284,567 4.374,568 4.925,569 4.043,570 1879.99,571 8.555,572 29182.7,574 1,577 354.413,578 0.824,579 4.929,580 0.129,581 0.003,582 0.061,583 0.019,584 0.027,585 0.022,586 0.01,587 0.007,588 0.007,589 0.006,590 0.291,591 0.17,592 0.88,594 166.591,595 0.083,596 -0.188,597 0.083,598 -0.063,599 0.235,600 -0.002,601 -0.012,602 0.056,603 -0.061,604 -0.016,605 0.102,606 -0.039,607 -0.096,608 -0.066,609 -0.079,610 -0.066,611 0.027,612 -0.07,613 -0.069,614 -0.09,615 -0.072,616 -0.083,617 -0.023,618 -0.079,619 0.088,620 0.036,621 0.11,622 0.078,623 0.069,624 0.093,625 0.006,626 -0.007,627 0.051,628 0.036,629 0.025,630 0.047,631 0.079,632 -0.062,633 -0.056,634 -0.107,635 -0.027,636 -0.099,637 -0.067,638 -0.008,639 -0.078,640 -0.044,641 -0.174,642 -0.059,643 0.684,644 1.353,645 0.839,646 38.656,647 0.991,648 1.134,649 4.024,650 16.194,651 0.657,652 3.584,653 3.871,654 4.143,655 4.382,656 4.554,657 4.615,658 4.745,659 4.875,660 4.942,661 4.984,662 8.712,663 0.616,664 415.6,665 3.584,666 5.106,667 5.948,668 6.804,669 7.659,670 8.52,671 9.382,672 10.248,673 11.114,674 11.984,675 11.7,678 1,680 1,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,707 1,714 60,716 21,717 1,718 35,720 64,721 24,722 15,723 3,724 3,730 5,731 6,740 2,741 1,743 4,745 15,746 9,747 1,761 1,764 29,765 5,766 2,767 7,773 7,777 0.8,786 1,788 1,792 2,793 3,796 1,815 1,819 4,827 31,833 8,834 1,837 1,838 1,844 1,854 14.167,855 10.417,856 6.833,857 3.801,858 3.559,859 1.438,860 1.019,861 6.283,862 11.68,863 3.839,864 4.407,865 4.996,866 5.574,867 6.007,868 6.328,869 6.773,870 7.197,871 7.394,872 7.61,873 0.9,874 43,875 11.441,877 4.804,878 7.425,879 22.753,881 19.135,883 1.925,884 59.667,887 1,888 317.82,889 123.738,890 89.931,895 123.738,896 317.82,897 89.931,899 18.561,900 65.905,901 120.673,902 39.372,903 16.243,904 270.735,906 317.82,907 213.669,911 235.422,912 82.398,915 66.654,916 78.892,917 68.122,919 317.82,920 89.931,921 123.738,924 317.82,925 31.548,926 97.213,927 34.796,928 50.112,929 317.82,930 89.931,931 123.738,933 0.57,934 0.331,935 0.178,936 0.091,937 23,938 8,939 0.125,940 8,941 1,942 1.077,943 4.615,944 268.895,945 0.077,946 26,947 145.58,951 20.228,952 9.63,953 4.974,954 2.485,955 71.247,956 19.963,957 12.183,958 3.416,961 3.468,962 1.948,963 34.796,964 531.489,965 45.5,975 59.432,976 68.055,977 0.237,978 0.614,979 0.803,980 0.889,981 0.904,982 0.904,983 5.051,984 1.499,985 5.889,986 4.655,987 4.554,988 5.094,989 0.824,990 6.64,991 4.473,992 6.214,993 1.329,994 7.401,995 3.483,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.771,1001 7.488,1002 1.131,1003 9.012,1004 3.152,1005 6.084,1006 7.256,1007 0.413,1008 10.491,1009 5.928,1010 8.802,1011 1,1012 10.686,1013 2.55,1014 6.33,1015 7.822,1016 0.268,1017 12.154,1018 6.136,1019 10.154,1020 1,1021 12.403,1022 2.275,1023 7.889,1024 9.764,1025 0.246,1026 14.719,1027 7.669,1028 11.534,1029 0.901,1030 14.15,1031 2.136,1032 8.564,1033 10.806,1034 0.188,1035 16.756,1036 8.316,1037 12.936,1038 0.696,1039 15.918,1040 2.106,1041 9.857,1042 12.486,1043 0.157,1044 19.154,1045 9.586,1046 3.118,1047 0.618,1048 17.704,1049 1.628,1050 10.747,1051 13.765,1052 0.125,1053 21.355,1054 10.457,1055 2.753,1056 10.431,1057 19.503,1058 1.372,1059 11.925,1060 15.333,1061 0.102,1062 23.701,1063 11.617,1064 2.676,1065 8.884,1066 21.313,1067 4.518,1068 12.924,1069 16.728,1070 0.082,1071 25.974,1072 12.602,1073 2.504,1074 7.438,1075 23.132,1076 3.731,1077 14.057,1078 18.252,1079 0.067,1080 28.306,1081 13.719,1082 2.194,1083 6.961,1084 24.959,1085 3.445,1086 15.112,1087 19.702,1088 0.054,1089 30.612,1090 14.763,1091 2.02,1092 6.312,1093 26.792,1094 2.813,1095 16.229,1096 21.211,1097 0.043,1098 32.943,1099 15.867,1100 1.776,1101 5.992,1102 28.631,1103 2.654,1104 17.314,1105 22.688,1106 0.035,1107 35.265,1108 16.941,1109 15427,1110 23325,1111 24.731,1112 39.415,1113 52.124,1114 51.6,1115 51.576,1116 51.574,1117 51.594,1118 66.962,1119 2.4,1120 141.547,1121 49.501,1122 5.568,1123 5.196,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1132 1.489,1133 1.474,1134 1.474,1135 1.474,1136 1.474,1137 1.913,1138 0.069,1139 4.044,1140 1.414,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.069,1147 3.925,1148 3.985,1149 3.835,1150 3.786,1151 4.931,1152 3.789,1153 3.836,1154 3.907,1155 3.789,1156 3.694,1157 4.908,1158 3.695,1159 3.812,1160 3.872,1161 3.721,1162 3.587,1163 4.36,1164 3.623,1165 3.551,1166 3.62,1167 3.403,1168 3.401,1169 4.256,1170 3.397,1171 3.329,1172 3.402,1173 3.218,1174 3.157,1175 4.084,1176 3.163,1177 3.216,1178 3.302,1179 3.065,1180 3.008,1181 3.903,1182 3.01,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.818,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.196,1197 0.023,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.086,1210 2.066,1211 1.466,1212 2.075,1213 1.883,1214 1.827,1215 2.035,1216 2.044,1217 1.285,1218 2.043,1219 1.801,1220 1.754,1221 1.938,1222 1.956,1223 1.125,1224 1.954,1225 1.669,1226 1.614,1227 1.878,1228 1.83,1229 0.953,1230 1.85,1231 1.418,1232 1.345,1233 1.616,1234 1.673,1235 0.829,1236 1.655,1237 1.358,1238 1.292,1239 1.525,1240 1.576,1241 0.825,1242 1.574,1243 1.19,1244 1.105,1245 1.513,1246 1.442,1247 0.666,1248 1.452,1249 1.153,1250 1.064,1251 1.455,1252 1.434,1253 0.578,1254 1.429,1255 4.263,1257 5.557,1258 3.045,1259 7.038,1260 5.283,1261 8.602,1262 7.286,1263 10.211,1271 9.367,1272 3.48,1275 0.739,1276 2.62,1280 36.945,1281 83.841,1282 217.443,1283 284.639,1284 314.904,1285 320.413,1286 320.413,1287 36.725,1288 8.121,1289 74.66,1290 74.66,1291 28,1292 12.528,1293 4.459,1294 3.524,1295 44.101,1296 165,1297 157,1298 0.127,1299 225.233,1300 371.6,1301 541.329,1302 47482,1304 20.882,1305 0.674,1306 0.572,1307 20.882,1308 17.744,1309 15.348,1310 0.439,1311 0.319,1312 11.032,1313 14.798,1314 10.841,1315 8.969,1316 15.348,1317 11.173,1318 13.278,1319 0.283,1320 0.179,1321 13.278,1322 8.397,1323 11.53,1324 0.186,1325 0.102,1326 11.53,1327 6.332,1328 9.52,1329 0.121,1330 0.057,1331 9.52,1332 4.491,1333 7.34,1334 0.078,1335 0.034,1336 7.34,1337 3.192,1338 0.21,1339 95.64,1340 0.201,1341 30.191,1342 0.321,1343 164,1344 390.891,1345 176.6,1346 388.198,1347 548.91,1348 368,1349 191,1350 421.518,1351 204.96,1352 428.337,1353 619.16,1354 404,1355 8.77} {0 CHEMBL358253,1 1.517,2 15.692,3 2.874,4 8.26,5 155.732,6 6.996,7 0.286,8 4.402,9 4.535,10 3.904,11 3.92,12 5.484,13 3.885,14 4.963,15 5.153,16 4.25,17 4.335,18 6.054,19 4.271,20 5.258,21 5.476,22 4.381,23 4.547,24 6.222,25 4.46,26 5.423,27 5.649,28 4.442,29 4.618,30 6.481,31 4.519,32 5.478,33 5.717,34 4.419,35 4.629,36 6.499,37 4.521,38 5.487,39 5.744,40 4.365,41 4.584,42 6.533,43 4.459,44 5.462,45 5.737,46 4.191,47 4.48,48 6.417,49 4.344,50 5.314,51 5.581,52 4.15,53 4.345,54 6.304,55 4.222,56 0.136,57 1.114,58 16.767,59 6.947,60 13.049,61 9.686,62 0.371,63 1.783,64 31.241,65 11.744,66 58.277,67 16.873,68 0.294,69 2.264,70 42.885,71 15.85,72 54.191,73 22.792,74 0.629,75 2.503,76 52.111,77 18.533,78 100.199,79 26.23,80 0.543,81 2.6,82 55.633,83 18.9,84 105.693,85 27.39,86 0.767,87 2.605,88 56.749,89 18.405,90 128.618,91 27.654,92 0.693,93 2.407,94 56.652,95 17.306,96 115.484,97 26.063,98 0.672,99 2.076,100 48.592,101 15.619,102 86.417,103 22.93,104 55,105 58,106 0.233,107 0.542,108 0.71,109 0.789,110 0.822,111 0.826,112 3.693,113 0.964,114 -4.29,115 -4.22,116 -3.99,119 39.5,120 2,121 3,122 2,124 1,125 4,135 2,137 2,140 9,141 2,142 1,156 2,164 2,169 16,171 1,172 7,174 2,176 7,178 22,182 9,186 3,189 19,193 13,195 3,196 2,197 7,199 17,203 9,208 6,211 8,214 2,215 13,218 2,219 1,220 11,222 8,226 6,231 1,233 4,236 2,237 8,240 4,242 2,244 7,248 4,249 7,252 6,254 2,256 4,259 3471,260 26.181,261 26.181,262 26.181,263 26.181,264 26.181,265 23.593,266 39.667,267 15.435,268 26.519,269 20.611,270 20.611,271 20.611,272 20.611,273 20.611,274 16.687,275 48.668,276 7.174,277 21.031,278 4.731,279 2.719,280 1.629,281 1.112,282 0.898,283 0.872,284 4.383,289 1,290 1302,291 4.359,295 585.133,302 2.126,303 46.517,306 0.75,307 0.67,308 0.67,309 0.9,310 1,311 0.83,312 1,313 0.83,314 84.5,315 612,316 4.645,317 3.897,318 7.138,319 4.349,320 3.353,321 4.113,322 2.612,323 12.443,324 3.337,325 4.242,326 3.777,327 6.296,328 3.862,329 2.87,330 3.911,331 1.36,332 9.188,333 2.851,334 4.105,335 3.553,336 6.143,337 3.738,338 2.763,339 3.55,340 1.058,341 9.054,342 2.704,343 4.081,344 3.157,345 5.943,346 3.704,347 2.699,348 3.497,349 1.058,350 8.263,351 2.691,352 3.769,353 3.103,354 5.712,355 3.376,356 2.439,357 3.209,358 0.8,359 7.484,360 2.329,361 3.519,362 2.751,363 5.327,364 3.355,365 2.375,366 2.582,367 0.759,368 6.919,369 2.278,370 3.379,371 2.744,372 5.058,373 3.077,374 2.097,375 2.478,376 0.359,377 5.753,378 2.039,379 3.149,380 2.376,381 4.678,382 2.83,383 1.839,384 2.262,386 4.584,387 1.82,388 3.11,389 2.154,390 4.517,391 2.723,392 1.741,393 2.191,395 4.508,396 1.7,397 3.021,398 1.873,399 4.447,400 2.521,401 1.537,402 2.14,404 4.076,405 1.508,406 2.581,407 1.691,408 3.774,409 2.351,410 1.351,411 1.585,413 2.963,414 1.346,415 2.5,416 1.632,417 3.616,418 2.137,419 1.146,420 1.5,422 2.744,423 1.135,424 2.5,425 1.211,426 3.491,427 2.058,428 1.061,429 1.5,431 2.59,432 1.055,433 2.487,434 1.099,435 3.414,436 2,437 1,438 1.458,440 2.275,441 1,442 2.338,443 1.077,444 3.414,445 2,446 1,447 1.29,449 2.275,450 1,451 18.333,452 0.47,453 0.963,454 0.025,455 45.5,456 1.167,457 21,458 0.538,459 24.5,460 0.628,461 41.851,462 1.073,463 43.467,464 0.572,465 40.676,466 1.043,467 9.005,468 0.231,469 9.79,470 0.251,471 0.155,473 0.344,479 0.546,480 1.306,481 0.842,482 1.114,483 0.501,484 1.033,485 0.587,486 1.111,487 0.879,488 1.024,489 0.41,490 0.99,491 0.774,492 1.088,493 0.943,494 1.066,495 0.619,496 1.027,497 0.954,498 1.03,499 1.006,500 1.077,501 0.995,502 1.059,503 1.054,504 1.126,505 1.02,506 1.072,507 1.041,508 1.048,509 0.784,510 1.102,511 0.997,512 1.079,513 0.697,514 1.067,515 1.13,516 0.985,517 1.048,518 0.959,519 1.073,520 0.98,521 0.947,522 0.953,523 0.94,524 1,525 1.059,526 0.977,527 7,528 0.239,529 4.667,530 3.125,531 2.671,532 1.965,533 1.01,534 0.691,535 0.612,536 0.309,537 25238,538 64852,539 2.022,540 48.7,541 2,542 20,545 3,547 10,548 2,550 1.793,551 1.872,552 3.815,553 0.748,559 115.276,560 1.517,561 3.529,562 4.619,563 5.136,564 5.35,565 5.376,566 3.314,567 4.875,568 5.252,569 4.079,570 3022.75,571 9.259,572 52721,577 474.842,578 1.479,579 5.204,580 0.167,581 0.006,582 0.08,583 0.048,584 0.04,585 0.031,586 0.017,587 0.014,588 0.013,589 0.007,590 0.425,591 0.17,592 0.88,593 0.936,594 220.509,595 0.11,596 -0.029,597 0.046,598 0.023,599 0.004,600 0.019,601 0.13,602 0.047,603 0.045,604 0.043,605 0.167,606 0.036,607 -0.048,608 -0.003,609 -0.008,610 -0.019,611 0.014,612 -0.004,613 0.011,614 -0.009,615 -0.035,616 -0.057,617 -0.007,618 -0.057,619 -0.092,620 -0.131,621 -0.042,622 -0.07,623 -0.062,624 -0.053,625 0.092,626 -0.104,627 -0.018,628 -0.108,629 0.09,630 -0.085,631 -0.117,632 -0.039,633 -0.042,634 -0.019,635 -0.098,636 -0.016,637 0.078,638 -0.011,639 0.065,640 -0.046,641 -0.041,642 -0.004,643 2.466,644 6.496,645 0.615,646 51.744,647 0.999,648 1.131,649 3.057,650 9.343,651 0.645,652 3.761,653 4.078,654 4.357,655 4.615,656 4.852,657 4.92,658 4.984,659 5.056,660 5.088,661 4.942,662 8.986,663 0.61,664 531.72,665 3.761,666 5.303,667 6.155,668 7.034,669 7.908,670 8.797,671 9.68,672 10.575,673 11.464,674 12.362,675 6.6,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 76,716 18,717 2,718 42,720 79,721 30,722 12,723 3,724 9,725 6,730 4,731 4,736 2,740 2,741 2,743 3,745 18,746 12,747 2,750 6,752 1,755 4,759 6,764 37,765 8,766 3,767 9,773 5,777 1,778 4,793 4,805 2,810 2,811 2,814 1,815 1,819 4,823 3,827 39,833 7,834 3,837 2,838 1,847 5.3,850 2,853 2,854 20.833,855 14.233,856 8.75,857 4.708,858 2.707,859 1.335,860 0.958,861 9.683,862 10.788,863 4.007,864 4.543,865 5.024,866 5.501,867 5.967,868 6.159,869 6.446,870 6.751,871 7.007,872 6.796,873 1,874 65,875 14.553,877 6.225,878 7.85,879 27.728,881 22.869,883 2.35,884 91.667,888 400.217,889 157.781,890 62.827,892 101.037,895 157.781,896 501.254,897 62.827,898 31.717,899 52.048,900 103.297,901 65.213,902 18.623,904 400.217,905 50.747,906 400.217,907 220.608,908 101.037,911 258.964,912 191.543,913 50.747,915 90.833,916 118.591,917 11.184,919 400.217,920 163.863,921 157.781,924 400.217,925 46.448,926 120.127,927 54.032,928 101.037,929 400.217,930 163.863,931 157.781,933 0.578,934 0.346,935 0.187,936 0.105,937 25,938 13,939 0.114,940 9,942 1,943 4.782,944 376.728,946 24,947 190.131,951 28.69,952 13.163,953 6.826,955 158.193,956 16.715,961 2.011,963 54.032,964 721.862,965 54,967 -0.466,970 48.722,974 1.606,975 75.956,976 85.972,977 0.243,978 0.565,979 0.739,980 0.822,981 0.856,982 0.86,983 5.257,984 1.839,985 6.142,986 5.753,987 4.762,988 5.231,989 3.083,990 6.969,991 4.728,992 6.45,993 1.741,994 7.715,995 4.584,996 4.369,997 5.047,998 2.555,999 7.955,1000 4.33,1001 7.758,1002 1.537,1003 9.393,1004 4.508,1005 6.365,1006 7.337,1007 4.301,1008 11.085,1009 6.302,1010 9.1,1011 1.351,1012 11.135,1013 4.076,1014 6.804,1015 7.958,1016 4.557,1017 12.951,1018 6.745,1019 10.476,1020 1.146,1021 12.919,1022 2.963,1023 8.271,1024 9.743,1025 5.981,1026 15.629,1027 8.195,1028 11.875,1029 1.061,1030 14.734,1031 2.744,1032 9.094,1033 10.729,1034 6.568,1035 17.871,1036 9.025,1037 13.294,1038 1,1039 16.571,1040 2.59,1041 10.362,1042 12.307,1043 7.802,1044 20.417,1045 10.281,1046 3.353,1047 1,1048 18.427,1049 2.275,1050 11.37,1051 13.473,1052 8.551,1053 22.82,1054 11.295,1055 2.87,1056 12.443,1057 20.297,1058 2.275,1059 12.566,1060 14.955,1061 9.672,1062 25.335,1063 12.484,1064 2.763,1065 9.188,1066 22.18,1067 4.113,1068 13.665,1069 16.217,1070 10.51,1071 27.805,1072 13.586,1073 2.699,1074 9.054,1075 24.073,1076 3.911,1077 14.842,1078 17.651,1079 11.564,1080 30.316,1081 14.759,1082 2.439,1083 8.263,1084 25.975,1085 3.55,1086 15.986,1087 18.968,1088 12.452,1089 32.814,1090 15.903,1091 2.375,1092 7.484,1093 27.886,1094 3.497,1095 17.163,1096 20.379,1097 13.468,1098 35.328,1099 17.078,1100 2.097,1101 6.919,1102 29.803,1103 3.209,1104 18.332,1105 21.727,1106 14.386,1107 37.839,1108 18.245,1109 24229,1110 39164,1111 27.452,1112 49.029,1113 62.582,1114 65.443,1115 65.744,1116 62.097,1117 62.158,1118 78.218,1119 16.012,1120 177.797,1121 61.092,1122 5.645,1123 5.897,1124 6.94,1125 5.389,1126 5.353,1127 7.113,1128 4.612,1129 19.998,1130 5.337,1131 22.66,1132 1.49,1133 1.558,1134 1.565,1135 1.479,1136 1.48,1137 1.862,1138 0.381,1139 4.233,1140 1.455,1141 4.067,1142 4.097,1143 4.022,1144 3.975,1145 7.815,1146 3.98,1147 3.972,1148 4.012,1149 3.89,1150 3.899,1151 7.432,1152 3.892,1153 3.873,1154 3.904,1155 3.837,1156 3.719,1157 7.426,1158 3.735,1159 3.764,1160 3.823,1161 3.65,1162 3.622,1163 6.999,1164 3.62,1165 3.613,1166 3.672,1167 3.525,1168 3.437,1169 4.763,1170 3.442,1171 3.504,1172 3.57,1173 3.434,1174 3.325,1175 4.719,1176 3.326,1177 3.46,1178 3.49,1179 3.355,1180 3.093,1181 4.529,1182 3.157,1183 3.324,1184 3.402,1185 3.175,1186 3.075,1187 4.326,1188 3.094,1189 0.111,1190 0.093,1191 0.17,1192 0.104,1193 0.08,1194 4.645,1195 0.098,1196 3.897,1197 0.062,1198 7.138,1199 0.296,1200 4.349,1201 0.079,1202 3.353,1203 4.113,1204 2.612,1205 12.443,1206 3.337,1207 1.997,1208 1.975,1209 2.116,1210 2.118,1211 1.457,1212 2.102,1213 1.965,1214 1.931,1215 2.083,1216 2.077,1217 1.311,1218 2.091,1219 1.798,1220 1.766,1221 1.953,1222 1.993,1223 1.201,1224 1.958,1225 1.751,1226 1.693,1227 1.906,1228 1.914,1229 1.016,1230 1.925,1231 1.582,1232 1.52,1233 1.826,1234 1.79,1235 1.001,1236 1.799,1237 1.457,1238 1.403,1239 1.706,1240 1.704,1241 0.825,1242 1.707,1243 1.304,1244 1.213,1245 1.641,1246 1.631,1247 0.783,1248 1.58,1249 1.23,1250 1.188,1251 1.513,1252 1.546,1253 0.674,1254 1.548,1255 4.443,1257 5.759,1259 7.277,1261 8.891,1263 10.561,1265 5.152,1271 6.608,1272 8.904,1275 -0.04,1276 2.452,1280 46.395,1281 115.276,1282 268.178,1283 351.029,1284 390.313,1285 406.578,1286 408.578,1287 108.465,1288 8.081,1289 119.29,1290 119.29,1291 24,1292 12.888,1293 4.248,1294 3.7,1295 70.607,1296 203,1297 247,1298 0.161,1299 286.722,1300 517.44,1301 691.362,1302 42262,1304 27.941,1305 0.716,1306 0.585,1307 27.941,1308 22.828,1309 18.795,1310 0.447,1311 0.321,1312 13.337,1313 18.082,1314 12.951,1315 10.778,1316 18.795,1317 13.502,1318 16.667,1319 0.287,1320 0.176,1321 16.667,1322 10.199,1323 13.938,1324 0.181,1325 0.1,1326 13.938,1327 7.709,1328 11.539,1329 0.115,1330 0.057,1331 11.539,1332 5.667,1333 9.173,1334 0.072,1335 0.032,1336 9.173,1337 4.061,1338 0.258,1339 117.855,1340 0.191,1341 35.614,1342 0.424,1343 200,1344 577.231,1345 217.849,1346 557.234,1347 744.05,1348 516,1349 235,1350 538.102,1351 252.299,1352 541.633,1353 784.62,1354 508,1355 6.201} {0 CHEMBL358406,1 1.55,2 17.404,3 3.82,4 14.594,5 181.575,6 7.416,7 0.353,8 4.538,9 4.657,10 4.088,11 4.073,12 5.685,13 4.052,14 5.079,15 5.243,16 4.46,17 4.489,18 6.262,19 4.444,20 5.395,21 5.588,22 4.611,23 4.702,24 6.435,25 4.641,26 5.578,27 5.779,28 4.694,29 4.774,30 6.732,31 4.709,32 5.655,33 5.872,34 4.673,35 4.8,36 6.793,37 4.725,38 5.638,39 5.87,40 4.627,41 4.795,42 6.76,43 4.694,44 5.656,45 5.907,46 4.464,47 4.751,48 6.651,49 4.625,50 5.563,51 5.828,52 4.418,53 4.639,54 6.527,55 4.511,56 0.17,57 1.234,58 17.474,59 7.891,60 18.693,61 10.264,62 0.492,63 1.984,64 32.715,65 13.511,66 83.882,67 18.155,68 0.452,69 2.584,70 47.152,71 18.207,72 76.814,73 24.513,74 0.883,75 2.911,76 59.33,77 21.52,78 140.219,79 28.483,80 1.112,81 3.072,82 66.257,83 22.436,84 182.305,85 30.171,86 0.98,87 3.124,88 64.299,89 22.553,90 173.634,91 31.739,92 1.009,93 3.085,94 67.68,95 22.483,96 174.093,97 31.803,98 0.867,99 2.787,100 62.162,101 21.558,102 123.559,103 30.93,104 69,105 72,106 0.23,107 0.547,108 0.688,109 0.788,110 0.828,111 0.835,112 3.874,113 0.922,114 -4.74,115 -4.65,116 -4.37,119 41.9,120 2,121 3,122 1,123 1,125 4,135 2,137 2,140 14,141 2,142 2,156 3,161 1,162 1,163 1,164 2,169 20,171 2,172 11,173 1,174 2,176 7,178 26,180 1,182 17,186 3,189 21,191 1,193 20,195 3,196 2,197 7,198 1,199 19,201 3,202 2,203 15,208 6,211 16,213 2,214 2,215 16,217 1,218 2,219 1,220 11,221 1,222 19,224 3,226 10,231 1,233 15,236 2,237 10,239 1,240 4,242 2,244 15,246 1,248 4,249 8,251 2,252 8,254 2,256 10,259 4820,260 31.395,261 31.395,262 31.395,263 31.395,264 31.395,265 27.902,266 43.684,267 18.449,268 31.755,269 25.087,270 25.087,271 25.087,272 25.087,273 25.087,274 19.932,275 57.559,276 8.628,277 25.606,278 4.876,279 2.748,280 1.798,281 1.122,282 0.855,283 0.808,284 4.571,290 1755,291 5,295 917.804,302 2.234,303 65.284,306 0.5,307 0.5,308 0.5,309 0.6,310 0.5,311 0.33,313 0.42,314 102.5,315 818,316 4.709,317 4.208,318 7.945,319 4.601,320 3.604,321 4.11,322 2.612,323 14.991,324 3.592,325 4.641,326 3.888,327 7.131,328 4.344,329 3.348,330 3.979,331 2.491,332 12.406,333 3.333,334 4.242,335 3.777,336 6.268,337 3.737,338 2.763,339 3.91,340 1.36,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 1.058,350 8.257,351 2.681,352 3.911,353 3.136,354 5.702,355 3.487,356 2.541,357 3.455,358 0.98,359 7.456,360 2.399,361 3.767,362 3.116,363 5.574,364 3.38,365 2.45,366 3.208,367 0.8,368 7.27,369 2.325,370 3.61,371 2.774,372 5.357,373 3.352,374 2.373,375 3.017,376 0.759,377 6.942,378 2.278,379 3.449,380 2.744,381 5.234,382 3.128,383 2.13,384 2.482,385 0.473,386 5.946,387 2.115,388 3.346,389 2.62,390 5.011,391 3.038,392 2.055,393 2.433,394 0.359,395 5.614,396 2.005,397 3.097,398 2.372,399 4.615,400 2.695,401 1.712,402 2.186,404 4.446,405 1.674,406 3.033,407 2.154,408 4.531,409 2.617,410 1.635,411 2.151,413 4.04,414 1.589,415 3.014,416 2.003,417 4.366,418 2.481,419 1.481,420 2.111,422 3.712,423 1.473,424 2.813,425 1.702,426 3.802,427 2.354,428 1.354,429 1.922,431 2.976,432 1.348,433 2.58,434 1.632,435 3.767,436 2.33,437 1.33,438 1.564,440 2.927,441 1.324,442 2.5,443 1.588,444 3.678,445 2.117,446 1.121,447 1.5,449 2.734,450 1.11,451 22,452 0.468,453 1.242,454 0.026,455 58.5,456 1.245,457 29,458 0.617,459 29.5,460 0.628,461 50.737,462 1.08,463 51.2,464 0.595,465 56.898,466 1.211,467 11.689,468 0.249,469 10.913,470 0.232,471 0.139,472 0.023,473 0.309,479 0.593,480 1.184,481 0.787,482 1.042,483 0.551,484 0.959,485 0.546,486 1.113,487 0.821,488 1.043,489 0.406,490 0.986,491 0.877,492 1.091,493 0.945,494 1.076,495 0.688,496 1.023,497 1.122,498 1.054,499 1.025,500 1.088,501 1.039,502 1.052,503 1.277,504 1.015,505 1.077,506 0.977,507 1.251,508 0.993,509 0.815,510 1.096,511 1.005,512 1.081,513 0.772,514 1.076,515 1.045,516 1.002,517 1.123,518 1.003,519 1.038,520 1.06,521 0.706,522 0.97,523 0.893,524 1.007,525 0.771,526 0.991,527 9.5,528 0.31,529 6,530 4.25,531 3.391,532 2.549,533 1.171,534 0.825,535 0.731,536 0.342,537 42653,538 120829,539 2.035,540 45.3,541 1,542 22,545 4,547 10,548 2,550 1.836,551 1.886,552 3.973,553 1.325,559 133.291,560 1.55,561 3.678,562 4.629,563 5.304,564 5.571,565 5.618,566 3.373,567 5.044,568 5.531,569 4.236,570 4578.62,571 9.805,572 92752,577 552.659,578 1.569,579 5.471,580 0.186,581 0.007,582 0.083,583 0.052,584 0.04,585 0.031,586 0.015,587 0.013,588 0.012,589 0.006,590 0.444,592 0.5,593 0.747,594 281.114,595 0.06,596 0.033,597 0.039,598 0.043,599 -0.024,600 0.037,601 0.173,602 0.011,603 0.061,604 0.011,605 0.183,606 0.017,607 -0.069,608 -0.025,609 -0.021,610 -0.048,611 -0.015,612 -0.023,613 -0.05,614 -0.049,615 -0.046,616 -0.085,617 -0.025,618 -0.071,619 -0.14,620 -0.034,621 -0.072,622 0.005,623 -0.116,624 -0.02,625 0.038,626 -0.093,627 -0.032,628 -0.093,629 0.062,630 -0.08,631 -0.14,632 -0.029,633 -0.125,634 -0.035,635 -0.136,636 -0.068,637 0.084,638 -0.027,639 0.103,640 -0.027,641 -0.002,642 0.026,643 2.503,644 6.61,645 0.638,646 61.908,647 1.006,648 1.126,649 3.506,650 12.295,651 0.659,652 3.951,653 4.29,654 4.585,655 4.852,656 5.088,657 5.17,658 5.236,659 5.323,660 5.342,661 5.236,662 10.201,663 0.632,664 637.8,665 3.951,666 5.509,667 6.372,668 7.265,669 8.15,670 9.053,671 9.949,672 10.856,673 11.757,674 12.668,675 5.8,677 1,678 1,682 2,686 1,688 14,693 4,695 18,708 1,714 86,716 25,717 3,718 51,720 90,721 36,722 18,723 4,724 14,725 6,730 5,731 5,736 2,737 1,739 1,740 2,741 1,743 3,745 25,746 11,747 1,750 7,752 1,755 5,759 7,764 39,765 10,766 4,767 11,773 5,777 1,778 6,793 5,804 1,805 1,808 1,810 2,811 2,814 1,815 1,819 5,823 2,827 47,828 1,833 7,834 2,835 1,837 1,838 1,839 1,847 7,850 3,852 1,853 2,854 24.917,855 15.733,856 10.389,857 5.174,858 2.835,859 1.331,860 0.962,861 10.796,862 11.39,863 4.22,864 4.775,865 5.267,866 5.759,867 6.223,868 6.384,869 6.673,870 6.981,871 7.189,872 7.072,873 1,874 82,875 17.572,877 7.692,878 7.945,879 32.914,881 27.297,883 2.445,884 114.917,888 411.989,889 209.201,890 77.713,892 137.182,895 209.201,896 549.17,897 77.713,898 23.32,899 66.934,900 150.678,901 97.549,902 34.867,904 411.989,905 50.747,906 411.989,907 286.914,908 137.182,911 270.735,912 227.688,913 50.747,915 105.72,916 170.011,917 11.184,919 411.989,920 214.895,921 209.201,924 411.989,925 58.883,926 159.112,927 36.022,928 170.079,929 411.989,930 214.895,931 209.201,933 0.584,934 0.348,935 0.192,936 0.106,937 32,938 16,939 0.133,940 12,942 1,943 5.324,944 497.557,946 30,947 243.066,951 33.896,952 14.97,953 7.586,955 209.225,956 24.697,961 1.923,963 68.919,964 836.084,965 67,967 -0.503,970 62.16,974 0.379,975 86.494,976 96.806,977 0.241,978 0.572,979 0.72,980 0.825,981 0.867,982 0.874,983 5.479,984 2.13,985 6.382,986 6.942,987 4.977,988 5.464,989 3.48,990 7.261,991 4.94,992 6.689,993 2.055,994 7.991,995 5.946,996 4.691,997 5.293,998 3.058,999 8.545,1000 4.649,1001 8.013,1002 1.712,1003 9.72,1004 5.614,1005 6.65,1006 7.588,1007 4.814,1008 11.678,1009 6.586,1010 9.374,1011 1.635,1012 11.53,1013 4.446,1014 7.231,1015 8.212,1016 5.149,1017 13.902,1018 7.175,1019 10.77,1020 1.481,1021 13.397,1022 4.04,1023 8.695,1024 10.009,1025 6.501,1026 16.667,1027 8.624,1028 12.193,1029 1.354,1030 15.306,1031 3.712,1032 9.66,1033 10.992,1034 7.134,1035 19.21,1036 9.601,1037 13.636,1038 1.33,1039 17.248,1040 2.976,1041 10.962,1042 12.582,1043 8.299,1044 21.902,1045 10.896,1046 3.604,1047 1.121,1048 19.215,1049 2.927,1050 12.095,1051 13.746,1052 9.072,1053 24.544,1054 12.037,1055 3.348,1056 14.991,1057 21.202,1058 2.734,1059 13.351,1060 15.236,1061 10.14,1062 27.228,1063 13.29,1064 2.763,1065 12.406,1066 23.205,1067 4.11,1068 14.556,1069 16.497,1070 10.987,1071 29.903,1072 14.499,1073 2.676,1074 9.057,1075 25.22,1076 3.979,1077 15.806,1078 17.937,1079 12.003,1080 32.591,1081 15.747,1082 2.541,1083 8.257,1084 27.245,1085 3.91,1086 17.042,1087 19.252,1088 12.891,1089 35.28,1090 16.983,1091 2.45,1092 7.456,1093 29.277,1094 3.485,1095 18.295,1096 20.667,1097 13.877,1098 37.973,1099 18.235,1100 2.373,1101 7.27,1102 31.316,1103 3.455,1104 19.546,1105 22.014,1106 14.789,1107 40.669,1108 19.484,1109 40491,1110 68423,1111 33.402,1112 56.699,1113 77.202,1114 79.973,1115 80.39,1116 76.342,1117 76.275,1118 97.605,1119 21.784,1120 223.061,1121 74.935,1122 5.709,1123 6.208,1124 7.747,1125 5.658,1126 5.604,1127 7.11,1128 4.612,1129 22.862,1130 5.592,1131 27.631,1132 1.514,1133 1.568,1134 1.576,1135 1.497,1136 1.496,1137 1.914,1138 0.427,1139 4.374,1140 1.469,1141 4.076,1142 4.105,1143 4.028,1144 3.983,1145 7.815,1146 3.987,1147 4.002,1148 4.03,1149 3.942,1150 3.922,1151 7.439,1152 3.921,1153 3.871,1154 3.902,1155 3.836,1156 3.801,1157 7.431,1158 3.796,1159 3.869,1160 3.896,1161 3.799,1162 3.718,1163 7.428,1164 3.733,1165 3.764,1166 3.822,1167 3.654,1168 3.63,1169 6.999,1170 3.628,1171 3.616,1172 3.673,1173 3.524,1174 3.448,1175 4.897,1176 3.452,1177 3.475,1178 3.514,1179 3.43,1180 3.315,1181 4.836,1182 3.321,1183 3.46,1184 3.49,1185 3.379,1186 3.085,1187 4.745,1188 3.156,1189 0.092,1190 0.083,1191 0.156,1192 0.09,1193 0.071,1194 4.709,1195 0.081,1196 4.208,1197 0.051,1198 7.945,1199 0.294,1200 4.601,1201 0.07,1202 3.604,1203 4.11,1204 2.612,1205 14.991,1206 3.592,1207 1.997,1208 1.974,1209 2.109,1210 2.117,1211 1.452,1212 2.103,1213 1.98,1214 1.953,1215 2.082,1216 2.092,1217 1.309,1218 2.095,1219 1.866,1220 1.841,1221 1.993,1222 1.991,1223 1.2,1224 1.973,1225 1.796,1226 1.765,1227 1.953,1228 1.961,1229 1.038,1230 1.956,1231 1.752,1232 1.698,1233 1.904,1234 1.913,1235 1.016,1236 1.924,1237 1.587,1238 1.529,1239 1.823,1240 1.786,1241 0.999,1242 1.797,1243 1.429,1244 1.386,1245 1.673,1246 1.636,1247 0.825,1248 1.635,1249 1.24,1250 1.194,1251 1.513,1252 1.629,1253 0.774,1254 1.55,1255 4.635,1257 5.969,1259 7.509,1261 9.149,1263 10.846,1265 3.466,1269 5.755,1271 4.346,1272 6.095,1273 5.847,1275 -0.779,1276 2.285,1277 -0.754,1280 54.351,1281 133.291,1282 316.304,1283 398.072,1284 456.129,1285 479.149,1286 483.149,1287 145.601,1288 8.555,1289 159.58,1290 159.58,1291 30,1292 13.185,1293 4.7,1294 4.087,1295 82.328,1296 300,1297 262,1298 0.133,1299 333.166,1300 605,1301 804.684,1302 75673,1304 33.553,1305 0.714,1306 0.564,1307 33.553,1308 26.531,1309 22.602,1310 0.443,1311 0.307,1312 15.475,1313 21.745,1314 15.093,1315 12.497,1316 22.602,1317 15.666,1318 20.499,1319 0.285,1320 0.166,1321 20.499,1322 11.95,1323 17.046,1324 0.176,1325 0.093,1326 17.046,1327 9.025,1328 14.517,1329 0.114,1330 0.052,1331 14.517,1332 6.563,1333 11.399,1334 0.071,1335 0.029,1336 11.399,1337 4.621,1338 0.215,1339 141.822,1340 0.173,1341 41.196,1342 0.347,1343 246,1344 747.681,1345 270.02,1346 718.136,1347 958.8,1348 664,1349 292,1350 696.448,1351 315.112,1352 698.727,1353 1017.03,1354 656,1355 6.233} {0 CHEMBL359375,1 1.517,2 15.667,3 2.874,4 8.262,5 155.311,6 6.996,7 0.286,8 4.402,9 4.535,10 3.901,11 3.924,12 5.5,13 3.888,14 4.96,15 5.146,16 4.274,17 4.354,18 6.078,19 4.292,20 5.275,21 5.482,22 4.409,23 4.593,24 6.246,25 4.504,26 5.49,27 5.724,28 4.465,29 4.68,30 6.525,31 4.566,32 5.555,33 5.815,34 4.401,35 4.653,36 6.558,37 4.529,38 5.472,39 5.735,40 4.321,41 4.547,42 6.546,43 4.416,44 5.412,45 5.689,46 4.114,47 4.413,48 6.382,49 4.275,50 5.248,51 5.522,52 4.114,53 4.273,54 6.231,55 4.154,56 0.145,57 1.113,58 16.78,59 6.977,60 15.738,61 9.696,62 0.347,63 1.787,64 30.964,65 12.05,66 67.042,67 17.143,68 0.29,69 2.34,70 43.186,71 16.378,72 57.117,73 23.346,74 0.583,75 2.679,76 55.555,77 20.211,78 100.799,79 28.878,80 0.636,81 2.729,82 61.019,83 20.165,84 124.952,85 29.704,86 0.752,87 2.53,88 56.139,89 18.197,90 143.376,91 27.391,92 0.711,93 2.272,94 54.209,95 16.169,96 126.903,97 24.441,98 0.592,99 1.939,100 45.532,101 14.731,102 79.554,103 21.771,104 69,105 60,106 0.233,107 0.552,108 0.714,109 0.793,110 0.822,111 0.826,112 3.693,113 0.957,114 -4.29,115 -4.22,116 -3.99,119 39.5,120 3,121 3,122 1,123 1,125 4,135 2,137 2,140 9,141 2,142 1,156 2,161 1,162 1,163 1,164 2,169 17,171 1,172 7,173 1,174 2,176 7,178 25,180 1,182 9,186 3,189 21,191 1,193 14,195 3,196 2,197 7,198 1,199 19,201 3,203 9,208 6,211 9,213 2,214 2,215 13,217 1,218 2,219 1,220 11,221 1,222 9,224 3,226 6,231 1,233 4,236 2,237 8,239 1,240 4,242 3,244 7,246 1,248 4,249 7,251 2,252 6,254 2,256 4,259 3304,260 25.681,261 25.681,262 25.681,263 25.681,264 25.681,265 23.054,266 39.346,267 14.933,268 25.941,269 20.642,270 20.642,271 20.642,272 20.642,273 20.642,274 16.746,275 50.765,276 6.968,277 21.011,278 4.731,279 2.656,280 1.603,281 1.086,282 0.898,283 0.872,284 4.38,289 1,290 1300,291 4.528,295 585.524,302 2.103,303 48.903,306 0.75,307 0.67,308 0.67,309 0.9,310 1,311 0.83,312 1,313 0.83,314 84.5,315 611,316 4.641,317 3.888,318 7.471,319 4.439,320 3.441,321 4.11,322 2.612,323 13.186,324 3.436,325 4.529,326 3.777,327 7.131,328 4.344,329 3.348,330 3.91,331 1.36,332 12.406,333 3.333,334 4.242,335 3.647,336 6.268,337 3.737,338 2.763,339 3.818,340 1.058,341 9.057,342 2.694,343 4.091,344 3.529,345 5.942,346 3.682,347 2.676,348 3.485,349 0.98,350 8.257,351 2.681,352 3.767,353 3.136,354 5.702,355 3.379,356 2.45,357 3.208,358 0.8,359 7.456,360 2.325,361 3.558,362 2.777,363 5.358,364 3.352,365 2.373,366 2.817,367 0.759,368 6.942,369 2.278,370 3.362,371 2.744,372 5.012,373 3.048,374 2.062,375 2.452,376 0.359,377 5.614,378 2.025,379 3.322,380 2.372,381 4.991,382 3.014,383 2.023,384 2.391,386 5.47,387 1.991,388 3.096,389 2.154,390 4.615,391 2.688,392 1.704,393 2.152,395 4.444,396 1.668,397 3.014,398 2.047,399 4.366,400 2.482,401 1.481,402 2.111,404 3.713,405 1.474,406 2.658,407 1.703,408 3.802,409 2.351,410 1.352,411 1.712,413 2.97,414 1.346,415 2.51,416 1.632,417 3.767,418 2.207,419 1.211,420 1.5,422 2.789,423 1.205,424 2.5,425 1.268,426 3.678,427 2.05,428 1.048,429 1.5,431 2.638,432 1.047,433 2.5,434 1.077,435 3.585,436 2,437 1,438 1.486,440 2.372,441 1,442 2.386,443 1,444 3.414,445 2,446 1,447 1.327,449 2.275,450 1,451 18.333,452 0.47,453 1.155,454 0.03,455 45.25,456 1.16,457 21,458 0.538,459 24.25,460 0.622,461 43.336,462 1.111,463 43.467,464 0.572,465 40.411,466 1.036,467 8.792,468 0.225,469 9.81,470 0.252,471 0.176,472 0.027,473 0.316,479 0.559,480 1.241,481 0.85,482 1.08,483 0.555,484 1.014,485 0.531,486 1.105,487 0.828,488 1.017,489 0.37,490 0.969,491 0.78,492 1.127,493 1.005,494 1.12,495 0.624,496 1.093,497 0.789,498 1.08,499 0.988,500 1.135,501 0.805,502 1.104,503 1.005,504 1.04,505 0.987,506 1.005,507 0.981,508 0.995,509 0.76,510 1.104,511 0.973,512 1.079,513 0.692,514 1.059,515 1.2,516 0.958,517 1.075,518 0.932,519 1.163,520 0.969,521 0.823,522 0.949,523 0.827,524 0.967,525 0.937,526 0.913,527 8.5,528 0.272,529 5.333,530 3.563,531 2.84,532 2.056,533 0.929,534 0.707,535 0.617,536 0.309,537 25258,538 65248,539 2.001,540 48.7,541 4,542 17,545 4,547 10,548 2,550 1.792,551 1.835,552 3.81,553 1.427,559 115.276,560 1.517,561 3.592,562 4.645,563 5.162,564 5.35,565 5.376,566 3.291,567 4.805,568 5.256,569 4.079,570 3022.22,571 9.256,572 52834,577 474.842,578 1.642,579 5.189,580 0.202,581 0.008,582 0.089,583 0.053,584 0.042,585 0.033,586 0.017,587 0.016,588 0.014,589 0.007,590 0.481,592 0.88,593 0.824,594 220.696,595 0.097,596 0.036,597 0.038,598 0.057,599 -0.021,600 0.038,601 0.154,602 0.049,603 0.088,604 0.068,605 0.205,606 0.07,607 -0.071,608 -0.022,609 -0.079,610 -0.058,611 -0.01,612 -0.064,613 0.049,614 -0.067,615 -0.032,616 -0.108,617 0.026,618 -0.09,619 -0.076,620 -0.077,621 -0.003,622 -0.023,623 -0.052,624 -0.005,625 0.113,626 -0.125,627 0.008,628 -0.11,629 0.117,630 -0.075,631 -0.143,632 -0.015,633 -0.06,634 -0.003,635 -0.133,636 -0.013,637 0.145,638 -0.02,639 0.173,640 -0.012,641 0.008,642 0.066,643 2.485,644 6.43,645 0.615,646 49.243,647 0.999,648 1.131,649 3.057,650 9.343,651 0.645,652 3.761,653 4.111,654 4.382,655 4.635,656 4.868,657 4.927,658 4.956,659 5.03,660 5.043,661 4.898,662 9.015,663 0.61,664 531.72,665 3.761,666 5.323,667 6.18,668 7.074,669 7.954,670 8.854,671 9.743,672 10.647,673 11.54,674 12.446,675 6.6,677 1,678 1,682 2,686 1,688 9,693 3,695 12,708 1,714 76,716 18,717 2,718 42,720 79,721 30,722 12,723 3,724 9,725 6,730 4,731 4,736 3,737 1,739 1,740 2,741 1,743 3,745 18,746 12,747 1,750 6,752 1,755 4,759 6,764 37,765 8,766 4,767 9,773 5,777 1,778 4,793 4,804 1,805 1,810 2,811 2,814 1,815 1,819 4,823 3,827 39,828 1,833 7,834 2,837 1,838 1,839 1,847 5.3,850 2,853 2,854 21.25,855 14.233,856 8.556,857 4.625,858 2.703,859 1.334,860 0.953,861 9.012,862 10.789,863 4.007,864 4.564,865 5.037,866 5.515,867 5.979,868 6.172,869 6.445,870 6.733,871 6.976,872 6.735,873 1,874 67,875 14.55,877 6.288,878 7.887,879 27.624,881 23.02,883 2.387,884 93.083,888 388.446,889 158.21,890 77.713,892 101.037,895 158.21,896 489.483,897 77.713,898 32.146,899 66.934,900 103.297,901 65.213,902 18.623,904 388.446,905 50.747,906 388.446,907 235.923,908 101.037,911 247.193,912 191.543,913 50.747,915 114.545,916 110.195,917 11.184,919 388.446,920 178.75,921 158.21,924 388.446,925 46.448,926 120.556,927 36.022,928 133.934,929 388.446,930 178.75,931 158.21,933 0.589,934 0.348,935 0.186,936 0.103,937 27,938 14,939 0.114,940 9,942 1,943 4.733,944 379.319,946 24,947 192.131,951 28.69,952 12.251,953 6.47,955 173.08,956 16.578,961 1.917,963 68.919,964 725.406,965 54,967 -0.485,970 48.118,974 0.912,975 75.956,976 85.972,977 0.243,978 0.575,979 0.743,980 0.826,981 0.856,982 0.86,983 5.278,984 2.023,985 6.205,986 5.614,987 4.796,988 5.252,989 3.068,990 7.081,991 4.766,992 6.496,993 1.704,994 7.816,995 5.47,996 4.575,997 5.156,998 2.555,999 8.326,1000 4.543,1001 7.827,1002 1.481,1003 9.542,1004 4.444,1005 6.482,1006 7.382,1007 4.292,1008 11.41,1009 6.43,1010 9.193,1011 1.352,1012 11.34,1013 3.713,1014 7.083,1015 8.062,1016 4.557,1017 13.509,1018 7.039,1019 10.592,1020 1.211,1021 13.186,1022 2.97,1023 8.516,1024 9.814,1025 5.978,1026 16.199,1027 8.459,1028 12.014,1029 1.048,1030 15.066,1031 2.789,1032 9.47,1033 10.836,1034 6.568,1035 18.6,1036 9.424,1037 13.454,1038 1,1039 16.97,1040 2.638,1041 10.745,1042 12.397,1043 7.801,1044 21.188,1045 10.691,1046 3.441,1047 1,1048 18.894,1049 2.372,1050 11.851,1051 13.585,1052 8.551,1053 23.693,1054 11.804,1055 3.348,1056 13.186,1057 20.832,1058 2.275,1059 13.077,1060 15.057,1061 9.672,1062 26.256,1063 13.027,1064 2.763,1065 12.406,1066 22.782,1067 4.11,1068 14.246,1069 16.333,1070 10.51,1071 28.796,1072 14.2,1073 2.676,1074 9.057,1075 24.74,1076 3.91,1077 15.461,1078 17.761,1079 11.564,1080 31.355,1081 15.414,1082 2.45,1083 8.257,1084 26.706,1085 3.818,1086 16.659,1087 19.084,1088 12.452,1089 33.908,1090 16.613,1091 2.373,1092 7.456,1093 28.678,1094 3.485,1095 17.874,1096 20.492,1097 13.468,1098 36.468,1099 17.827,1100 2.062,1101 6.942,1102 30.655,1103 3.208,1104 19.085,1105 21.842,1106 14.386,1107 39.027,1108 19.038,1109 24273,1110 39394,1111 27.046,1112 49.029,1113 63.764,1114 66.075,1115 66.29,1116 63.052,1117 63.031,1118 79.174,1119 15.855,1120 186.186,1121 62.097,1122 5.641,1123 5.888,1124 7.273,1125 5.479,1126 5.441,1127 7.11,1128 4.612,1129 20.731,1130 5.436,1131 24.295,1132 1.518,1133 1.573,1134 1.578,1135 1.501,1136 1.501,1137 1.885,1138 0.378,1139 4.433,1140 1.478,1141 4.069,1142 4.099,1143 4.022,1144 3.979,1145 7.815,1146 3.982,1147 3.99,1148 4.027,1149 3.913,1150 3.918,1151 7.438,1152 3.913,1153 3.871,1154 3.902,1155 3.836,1156 3.718,1157 7.428,1158 3.733,1159 3.765,1160 3.822,1161 3.654,1162 3.633,1163 6.999,1164 3.629,1165 3.614,1166 3.675,1167 3.517,1168 3.449,1169 4.896,1170 3.45,1171 3.473,1172 3.515,1173 3.429,1174 3.316,1175 4.764,1176 3.319,1177 3.459,1178 3.49,1179 3.35,1180 3.085,1181 4.709,1182 3.156,1183 3.285,1184 3.365,1185 3.156,1186 3.043,1187 4.514,1188 3.052,1189 0.11,1190 0.093,1191 0.178,1192 0.106,1193 0.082,1194 4.641,1195 0.098,1196 3.888,1197 0.062,1198 7.471,1199 0.314,1200 4.439,1201 0.082,1202 3.441,1203 4.11,1204 2.612,1205 13.186,1206 3.436,1207 1.997,1208 1.974,1209 2.13,1210 2.117,1211 1.473,1212 2.109,1213 1.984,1214 1.951,1215 2.083,1216 2.091,1217 1.309,1218 2.098,1219 1.796,1220 1.765,1221 1.953,1222 1.991,1223 1.206,1224 1.957,1225 1.755,1226 1.7,1227 1.905,1228 1.913,1229 1.016,1230 1.924,1231 1.594,1232 1.532,1233 1.838,1234 1.79,1235 0.999,1236 1.805,1237 1.431,1238 1.387,1239 1.674,1240 1.638,1241 0.825,1242 1.639,1243 1.25,1244 1.194,1245 1.567,1246 1.63,1247 0.776,1248 1.552,1249 1.226,1250 1.153,1251 1.513,1252 1.515,1253 0.73,1254 1.525,1255 4.443,1257 5.784,1259 7.326,1261 8.964,1263 10.655,1265 5.857,1269 5.727,1271 6.401,1272 6.137,1275 -0.72,1276 2.445,1277 0.195,1280 46.395,1281 115.276,1282 272.99,1283 353.029,1284 392.313,1285 406.578,1286 408.578,1287 113.249,1288 8.086,1289 133.28,1290 133.28,1291 24,1292 12.967,1293 4.248,1294 3.7,1295 70.691,1296 208,1297 229,1298 0.159,1299 286.722,1300 517.44,1301 691.362,1302 42492,1304 28.156,1305 0.722,1306 0.585,1307 28.156,1308 22.828,1309 18.603,1310 0.443,1311 0.319,1312 13.243,1313 17.93,1314 12.825,1315 10.659,1316 18.603,1317 13.393,1318 17.279,1319 0.288,1320 0.179,1321 17.279,1322 10.726,1323 14.037,1324 0.178,1325 0.102,1326 14.037,1327 8.075,1328 11.708,1329 0.115,1330 0.056,1331 11.708,1332 5.743,1333 9.206,1334 0.071,1335 0.032,1336 9.206,1337 4.136,1338 0.257,1339 116.434,1340 0.192,1341 35.585,1342 0.418,1343 204,1344 576.21,1345 221.488,1346 559.431,1347 745.87,1348 516,1349 241,1350 541.539,1351 257.468,1352 546.991,1353 791.39,1354 512,1355 5.706} {0 CHEMBL359447,1 1.532,2 16.028,3 4.031,4 16.251,5 141.643,6 7.44,7 0.575,8 4.277,9 4.395,10 3.847,11 3.81,12 5.396,13 3.796,14 4.802,15 4.979,16 4.216,17 4.202,18 5.871,19 4.173,20 5.033,21 5.22,22 4.263,23 4.373,24 6.091,25 4.309,26 5.168,27 5.391,28 4.209,29 4.4,30 6.18,31 4.302,32 5.151,33 5.387,34 4.147,35 4.343,36 6.159,37 4.242,38 5.05,39 5.282,40 4.033,41 4.25,42 6.045,43 4.144,44 4.959,45 5.207,46 3.987,47 4.138,48 6.005,49 4.038,50 4.846,51 5.053,52 3.945,53 4.018,54 6,55 3.96,56 0.061,57 0.965,58 13.259,59 5.814,60 11.167,61 7.53,62 0.314,63 1.547,64 24.929,65 9.264,66 24.334,67 12.74,68 0.36,69 1.87,70 32.189,71 12.229,72 39.556,73 16.439,74 0.356,75 2.015,76 38.899,77 14.652,78 56.223,79 20.136,80 0.468,81 1.927,82 39.5,83 14.213,84 67.279,85 19.673,86 0.485,87 1.759,88 35.446,89 12.725,90 55.946,91 17.623,92 0.358,93 1.605,94 32.563,95 11.81,96 59.112,97 16.79,98 0.362,99 1.41,100 28.773,101 9.724,102 62.779,103 12.866,104 26,105 57,106 0.241,107 0.566,108 0.714,109 0.818,110 0.846,111 0.846,112 3.615,113 0.897,114 -5.23,115 -5.12,116 -4.79,119 43.1,120 2,124 1,125 4,140 10,141 5,142 3,156 1,159 2,164 1,169 15,171 2,172 6,174 1,176 4,178 19,181 1,182 9,184 1,186 5,189 18,193 11,195 1,197 2,199 16,203 9,207 1,208 1,211 17,214 1,215 7,218 1,220 1,222 13,226 10,229 2,231 3,233 7,237 11,242 5,244 4,248 1,249 7,254 3,256 7,259 2500,260 24.187,261 24.187,262 24.187,263 24.187,264 24.187,265 21.323,266 24.865,267 13.975,268 24.561,269 19.708,270 19.708,271 19.708,272 19.708,273 19.708,274 15.374,275 33.766,276 6.645,277 20.287,278 4.49,279 2.43,280 1.492,281 0.827,282 0.65,283 0.65,284 4.319,289 1,290 1269,291 3.162,294 121.636,295 529.299,302 2.475,303 30.674,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 77.5,315 577,316 4.441,317 3.574,318 6.483,319 4.067,320 3.071,321 4.146,322 1.058,323 10.076,324 3.061,325 4.339,326 3.262,327 6.473,328 3.99,329 3.037,330 3.95,331 0.8,332 10.053,333 2.901,334 4.222,335 3.108,336 6.151,337 3.845,338 2.857,339 3.845,340 0.8,341 9.1,342 2.817,343 4.078,344 2.858,345 6.04,346 3.73,347 2.74,348 3.59,350 8.649,351 2.708,352 3.685,353 2.744,354 5.336,355 3.399,356 2.457,357 3.084,359 6.877,360 2.314,361 3.589,362 2.435,363 5.168,364 3.248,365 2.274,366 2.879,368 6.319,369 2.214,370 3.419,371 2.388,372 5.123,373 3.136,374 2.177,375 2.583,377 6.201,378 2.075,379 3.289,380 2.233,381 4.942,382 2.909,383 1.928,384 2.493,386 5.492,387 1.896,388 3.066,389 2.179,390 4.85,391 2.803,392 1.866,393 2.156,395 5.303,396 1.733,397 2.842,398 1.826,399 4.173,400 2.39,401 1.382,402 1.944,404 3.614,405 1.388,406 2.738,407 1.405,408 4.071,409 2.266,410 1.281,411 1.812,413 3.393,414 1.257,415 2.536,416 1.236,417 3.928,418 2.106,419 1.13,420 1.523,422 3.024,423 1.1,424 2.5,425 1.155,426 3.879,427 2.041,428 1.046,429 1.5,431 2.896,432 1.037,433 2.468,434 1.146,435 3.414,436 2,437 1,438 1.459,440 2.275,441 1,442 2.176,443 1,444 3.414,445 1.967,446 1,447 1.017,449 2.275,450 0.965,451 17,452 0.472,453 0.976,454 0.027,455 48.5,456 1.347,457 25,458 0.694,459 23.5,460 0.653,461 30.619,462 0.851,463 38.2,464 0.588,465 39.805,466 1.106,467 9.774,468 0.271,469 7.595,470 0.211,471 0.127,473 0.371,479 0.824,480 1.28,481 0.787,482 1.073,483 0.733,484 0.948,485 0.793,486 1.027,487 0.792,488 0.88,489 0.512,490 0.829,491 1.033,492 1.044,493 1.06,494 1.053,495 0.861,496 1.055,497 0.95,498 1.056,499 1.023,500 1.101,501 1.009,502 1.08,503 1.042,504 0.944,505 0.984,506 0.962,507 1.256,508 0.967,509 1.034,510 0.971,511 1.064,512 1.003,513 1.147,514 1.037,515 0.685,516 0.975,517 0.84,518 1,519 0.711,520 0.948,521 1.6,522 1.085,523 1.089,524 1.016,525 1.968,526 0.989,527 8,528 0.199,529 4.889,530 2.472,531 2.121,532 1.309,533 1.049,534 0.604,535 0.362,536 0.269,537 22973,538 57824,539 2.103,540 44.6,541 3,542 21,545 2,546 3,550 1.768,551 1.964,552 3.923,553 0.148,559 99.602,560 1.532,561 3.593,562 4.53,563 5.195,564 5.372,565 5.372,566 3.409,567 4.705,568 5.14,569 4.115,570 2592.32,571 9.002,572 43496.2,577 391.454,578 1.426,579 5.099,580 0.2,581 0.006,582 0.086,583 0.043,584 0.04,585 0.026,586 0.024,587 0.014,588 0.009,589 0.008,590 0.456,591 0.17,592 0.75,593 0.539,594 200.607,595 -0.01,596 -0.109,597 0.056,598 -0.034,599 -0.062,600 0.008,601 0.096,602 0.096,603 0.122,604 0.108,605 0.121,606 0.121,607 -0.087,608 0.025,609 -0.132,610 -0.054,611 -0.007,612 -0.09,613 -0.054,614 -0.075,615 -0.06,616 -0.095,617 -0.02,618 -0.081,619 -0.057,620 0.01,621 0.007,622 0.034,623 -0.084,624 0.031,625 -0.047,627 -0.08,628 -0.01,629 -0.115,630 -0.046,631 0.147,632 -0.019,633 0.144,634 -0.005,635 0.224,636 0.062,637 -0.204,638 -0.11,639 -0.071,640 -0.044,641 -0.15,642 -0.039,643 1.865,644 5.931,645 0.806,646 46.383,647 1.001,648 1.125,649 4,650 15.998,651 0.67,652 3.714,653 4.06,654 4.331,655 4.575,656 4.796,657 4.86,658 5.017,659 5.1,660 5.159,661 5.278,662 9.08,663 0.64,664 483.62,665 3.714,666 5.273,667 6.129,668 7.009,669 7.878,670 8.759,671 9.633,672 10.513,673 11.389,674 12.27,675 7.7,678 1,681 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,709 1,711 1,714 65,716 24,717 3,718 40,720 69,721 28,722 20,723 8,724 10,725 1,730 5,731 5,736 2,745 21,746 7,750 1,755 1,759 1,764 29,765 8,766 2,767 8,773 5,777 1,778 3,792 1,793 4,815 1,819 5,823 3,827 36,832 1,833 4,834 1,838 2,847 4.6,849 1,850 1,852 1,854 18.333,855 12.667,856 7.75,857 3.847,858 4.129,859 1.492,860 0.986,861 6.879,862 12.527,863 3.98,864 4.593,865 5.168,866 5.731,867 6.232,868 6.516,869 6.964,870 7.322,871 7.677,872 8.083,873 0.909,874 58,875 13.31,877 5.681,878 7.704,879 25.501,881 21.003,883 2.204,884 79.333,888 317.82,889 165.418,890 57.585,892 77.336,895 165.418,896 395.155,897 57.585,898 26.047,899 26.434,900 94.762,901 115.899,902 37.197,904 317.82,906 317.82,907 223.003,908 77.336,911 317.82,912 77.336,915 57.248,916 132.429,917 33.326,919 317.82,920 134.921,921 165.418,924 317.82,925 44.609,926 127.058,927 18.011,928 110.662,929 317.82,930 134.921,931 165.418,933 0.592,934 0.346,935 0.181,936 0.099,937 28,938 13,939 0.072,940 5,942 1,943 4.74,944 341.602,946 29,947 178.117,951 24.2,952 10.234,953 5.365,955 134.921,956 18.719,957 7.979,959 5.528,961 7.225,963 60.694,964 618.159,965 52.5,970 12.931,974 -0.199,975 65.094,976 73.102,977 0.254,978 0.597,979 0.752,980 0.863,981 0.892,982 0.892,983 5.23,984 1.928,985 6.125,986 6.201,987 4.745,988 5.281,989 1.641,990 6.932,991 4.692,992 6.442,993 1.866,994 7.687,995 5.492,996 4.369,997 5.075,998 0.57,999 7.811,1000 4.285,1001 7.75,1002 1.382,1003 9.343,1004 5.303,1005 6.347,1006 7.456,1007 1.488,1008 10.885,1009 6.248,1010 9.089,1011 1.281,1012 11.053,1013 3.614,1014 6.758,1015 8.046,1016 0.479,1017 12.568,1018 6.634,1019 10.458,1020 1.13,1021 12.799,1022 3.393,1023 8.214,1024 9.903,1025 1.47,1026 15.151,1027 8.075,1028 11.847,1029 1.046,1030 14.568,1031 3.024,1032 8.981,1033 10.868,1034 0.346,1035 17.172,1036 8.824,1037 13.252,1038 1,1039 16.354,1040 2.896,1041 10.225,1042 12.494,1043 1.501,1044 19.576,1045 10.053,1046 3.071,1047 1,1048 18.154,1049 2.275,1050 11.164,1051 13.653,1052 0.237,1053 21.746,1054 10.975,1055 3.037,1056 10.076,1057 19.965,1058 2.275,1059 12.319,1060 15.165,1061 1.556,1062 24.081,1063 12.115,1064 2.857,1065 10.053,1066 21.783,1067 4.146,1068 13.34,1069 16.428,1070 0.158,1071 26.318,1072 13.12,1073 2.74,1074 9.1,1075 23.608,1076 3.95,1077 14.459,1078 17.882,1079 1.626,1080 28.627,1081 14.224,1082 2.457,1083 8.649,1084 25.439,1085 3.845,1086 15.521,1087 19.203,1088 0.104,1089 30.895,1090 15.27,1091 2.274,1092 6.877,1093 27.274,1094 3.59,1095 16.626,1096 20.628,1097 1.706,1098 33.195,1099 16.362,1100 2.177,1101 6.319,1102 29.112,1103 3.084,1104 17.708,1105 21.981,1106 0.068,1107 35.478,1108 17.428,1109 21311,1110 34025,1111 26.759,1112 43.529,1113 61.097,1114 61.36,1115 62.326,1116 60.301,1117 60.278,1118 78.454,1119 5.317,1120 175.391,1121 58.671,1122 5.441,1123 5.574,1124 5.897,1125 5.134,1126 5.071,1127 7.146,1128 2.117,1129 16.896,1130 5.061,1131 18.665,1132 1.527,1133 1.534,1134 1.558,1135 1.508,1136 1.507,1137 1.961,1138 0.133,1139 4.385,1140 1.467,1141 4.064,1142 4.089,1143 4.021,1144 4,1145 7.429,1146 4,1147 3.961,1148 3.998,1149 3.911,1150 3.856,1151 6.469,1152 3.864,1153 3.866,1154 3.895,1155 3.825,1156 3.751,1157 5.263,1158 3.759,1159 3.742,1160 3.802,1161 3.649,1162 3.556,1163 4.789,1164 3.563,1165 3.68,1166 3.715,1167 3.607,1168 3.464,1169 4.648,1170 3.509,1171 3.315,1172 3.361,1173 3.259,1174 3.106,1175 4.532,1176 3.136,1177 3.181,1178 3.268,1179 3.01,1180 3.027,1181 4.351,1182 3.007,1183 3.171,1184 3.258,1185 2.977,1186 2.943,1187 3.953,1188 2.941,1189 0.111,1190 0.089,1191 0.162,1192 0.102,1193 0.077,1194 4.441,1195 0.104,1196 3.574,1197 0.026,1198 6.483,1199 0.252,1200 4.067,1201 0.077,1202 3.071,1203 4.146,1204 1.058,1205 10.076,1206 3.061,1207 2.013,1208 1.995,1209 2.098,1210 2.084,1211 1.304,1212 2.087,1213 1.915,1214 1.884,1215 2.032,1216 2.055,1217 1.244,1218 2.055,1219 1.798,1220 1.774,1221 1.923,1222 1.927,1223 1.05,1224 1.926,1225 1.701,1226 1.634,1227 1.881,1228 1.861,1229 0.999,1230 1.868,1231 1.434,1232 1.388,1233 1.695,1234 1.695,1235 0.825,1236 1.688,1237 1.272,1238 1.227,1239 1.552,1240 1.505,1241 0.733,1242 1.502,1243 1.208,1244 1.145,1245 1.54,1246 1.471,1247 0.641,1248 1.494,1249 1.156,1250 1.064,1251 1.513,1252 1.416,1253 0.621,1254 1.429,1255 4.394,1257 5.733,1258 2.398,1259 7.258,1260 4.595,1261 8.862,1262 6.555,1263 10.508,1265 5.89,1270 10.369,1271 3.526,1272 2.962,1276 4.403,1280 41.573,1281 99.602,1282 233.528,1283 294.46,1284 337.679,1285 349.189,1286 349.189,1287 61.335,1288 8.398,1289 94.73,1290 94.73,1291 29,1292 12.806,1293 4.644,1294 3.755,1295 54.894,1296 199,1297 190,1298 0.132,1299 253.22,1300 437.25,1301 609.618,1302 62618,1304 25.233,1305 0.701,1306 0.574,1307 25.233,1308 20.654,1309 17.368,1310 0.434,1311 0.299,1312 11.8,1313 16.702,1314 11.425,1315 9.496,1316 17.368,1317 11.966,1318 16.121,1319 0.283,1320 0.161,1321 16.121,1322 9.181,1323 13.643,1324 0.182,1325 0.087,1326 13.643,1327 6.535,1328 11.162,1329 0.116,1330 0.046,1331 11.162,1332 4.44,1333 9.012,1334 0.075,1335 0.026,1336 9.012,1337 3.1,1338 0.216,1339 108.769,1340 0.193,1341 33.678,1342 0.341,1343 194,1344 546.534,1345 212.405,1346 531.907,1347 736.22,1348 498,1349 229,1350 557.232,1351 248.102,1352 564.65,1353 822.66,1354 530,1355 6.398} {0 CHEMBL360803,1 1.946,2 6.267,3 3.599,4 12.955,5 71.497,6 15.478,7 0.375,8 3.271,9 3.379,10 3.471,11 2.997,12 4.384,13 2.906,14 3.766,15 3.917,16 3.972,17 3.418,18 4.916,19 3.273,20 3.945,21 4.138,22 4.04,23 3.483,24 5.056,25 3.26,26 3.692,27 3.847,28 4.663,29 3.427,30 4.959,31 3.147,32 3.522,33 3.706,34 3.639,35 2.93,36 4.749,37 2.827,38 3.418,39 3.565,40 3.476,41 3.049,42 4.489,43 2.826,44 3.364,45 3.559,46 3.426,47 2.761,48 4.334,49 2.421,50 2.697,51 3.019,52 3.153,53 2.391,54 3.184,55 1.822,56 0.07,57 0.348,58 6.817,59 1.47,60 4.455,61 1.61,62 0.18,63 0.561,64 15.882,65 3.125,66 11.264,67 3.336,68 0.306,69 0.587,70 48.386,71 6.728,72 21.453,73 5.06,74 0.255,75 0.41,76 51.861,77 5.077,78 19.959,79 3.694,80 0.247,81 0.354,82 18.351,83 3.393,84 18.498,85 3.196,86 0.138,87 0.324,88 24.255,89 3.261,90 11.701,91 2.817,92 0.203,93 0.268,94 25.887,95 3.843,96 19.275,97 3.543,98 0.064,99 0.166,100 29.536,101 3.712,102 6.189,103 3.177,104 10,105 22,106 0.405,107 0.778,108 0.832,109 0.832,110 0.832,111 0.832,112 2.795,113 1.162,114 -4.71,115 -4.63,116 -4.35,119 39.1,125 2,140 2,142 4,157 1,174 2,175 1,178 5,186 4,199 5,203 4,208 5,226 1,231 1,259 220,260 9.861,261 9.861,262 9.861,263 9.861,264 9.861,265 8.695,266 12.572,267 5.852,268 10.503,269 7.895,270 7.895,271 7.895,272 7.895,273 7.895,274 6.188,275 14.42,276 2.794,277 9.128,278 2.578,279 0.783,280 0.522,281 0.522,282 0.522,283 0.522,284 3.435,285 2,288 1,289 1,290 195,291 1.871,294 39.488,295 47.862,302 0.987,303 12.732,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 31.567,315 94,316 4.396,317 3.43,318 6.437,319 3.936,320 3.033,321 4.078,322 1.263,323 9.87,324 2.681,325 3.838,326 3.018,327 5.347,328 3.392,329 2.495,330 3.116,331 0.277,332 6.98,333 2.222,334 3.431,335 2.623,336 4.981,337 2.901,338 2.079,339 2.731,340 0.247,341 5.805,342 1.524,343 3.232,344 2.592,345 4.879,346 2.707,347 1.879,348 2.481,350 5.225,351 1.441,352 2.281,353 1.625,354 3.583,355 2.158,356 1.238,357 1.268,359 2.744,360 1.099,361 1.831,362 1.174,363 3.102,364 1.518,365 0.618,366 0.677,368 1.372,369 0.556,370 1.628,371 1.057,372 3,373 1.303,374 0.512,375 0.562,377 1.302,378 0.306,379 1,380 0.216,381 2.653,382 0.473,383 -0.347,384 -0.445,386 -0.898,387 -0.124,388 0.647,389 0.173,390 2.37,391 0.245,392 -0.581,393 -0.671,395 -1.425,396 -0.229,397 0.352,398 -0.211,399 1.528,400 -0.257,401 -0.753,402 -0.81,404 -1.847,405 -0.513,406 -0.226,407 -1.03,408 1.468,409 -0.617,410 -1.454,411 -1.566,413 -3.397,414 -1.022,415 -0.232,416 -1.072,417 1.265,418 -0.718,419 -1.532,420 -1.83,422 -4.117,423 -1.212,424 -0.301,425 -1.235,426 1,427 -0.78,428 -1.597,429 -2.036,431 -4.372,432 -1.456,433 -0.479,434 -1.393,435 1,436 -0.898,437 -1.618,438 -2.141,439 -0.17,440 -4.493,441 -1.466,442 -0.5,443 -1.655,444 1,445 -1,446 -1.973,447 -2.414,448 -0.647,449 -5.916,450 -1.807,451 8.771,452 0.585,453 0.421,454 0.028,455 18,456 1.2,457 8,458 0.533,459 10,460 0.667,461 12.962,462 0.864,463 15.229,464 0.662,465 8.245,466 0.55,467 3.287,468 0.219,469 3.877,470 0.258,471 0.35,473 0.285,479 0.812,480 1.2,481 0.47,482 0.479,483 0.668,484 0.604,485 0.731,486 0.854,487 0.564,488 0.532,489 0.636,490 0.686,491 1.084,492 0.968,493 1.013,494 0.968,495 1.072,496 0.953,497 1.397,498 0.933,499 0.741,500 0.682,501 1.172,502 0.703,503 0.627,504 1.053,505 0.427,506 0.631,507 0.642,508 0.799,509 1.31,510 1.002,511 0.93,512 0.942,513 1.465,514 1.162,515 1.631,516 1.089,517 0.993,518 1.273,519 1.917,520 1.674,521 0.059,522 0.603,523 2.089,524 1.721,525 0.149,526 0.994,527 3.5,529 1.556,530 1.222,531 0.919,532 0.236,533 0.261,534 0.077,535 0.031,537 1527,538 6613,539 1.993,540 34.8,542 6,545 2,550 1.533,551 1.837,552 2.675,553 0.626,557 1,558 1,559 44.758,560 1.946,561 3.741,562 4.002,563 4.002,564 4.002,565 4.002,566 2.182,567 2.974,568 3.882,569 2.775,570 291.334,571 6.512,572 2376.7,573 1,574 1,577 104.042,578 1.506,579 3.82,580 0.219,582 0.071,583 0.064,584 0.054,585 0.017,586 0.024,587 0.019,588 0.016,590 0.483,591 0.67,592 1,593 0.725,594 58.009,595 -0.155,596 -0.119,597 -0.004,598 0.026,599 -0.11,600 0.032,601 0.043,602 0.209,603 0.007,604 0.09,605 0.066,606 0.058,607 -0.079,608 0.019,609 -0.091,610 -0.028,611 -0.107,612 -0.002,613 -0.141,614 0.008,615 0.213,616 0.266,617 0.08,618 0.234,619 0.442,620 -0.15,621 0.046,622 -0.058,623 0.438,624 0.071,625 -0.322,626 -0.083,627 -0.121,628 -0.123,629 -0.432,630 -0.281,631 -0.449,632 -0.365,633 -0.088,634 -0.341,635 -0.595,636 -0.583,637 0.424,638 0.234,639 -0.052,640 0.233,641 0.436,642 0.631,643 1.066,644 1.968,645 0.733,646 7.689,647 1.024,648 1.12,649 3.481,650 12.115,651 0.845,652 2.833,653 3.135,654 3.332,655 3.555,656 3.555,657 3.526,658 3.367,659 3.296,660 3.045,661 2.833,662 3.924,663 0.745,664 356,665 2.833,666 4.344,667 5.165,668 6.028,669 6.866,670 7.732,671 8.576,672 9.443,673 10.29,674 11.156,675 13,677 1,680 1,684 1,688 2,693 4,695 6,707 1,713 3,714 23,716 7,717 1,718 16,720 24,721 9,722 6,723 4,724 2,730 2,731 2,732 2,734 1,745 7,746 2,750 1,758 1,759 1,761 1,764 8,765 3,766 2,767 6,768 3,769 1,773 3,777 1,792 1,793 1,814 1,819 2,824 2,826 1,827 15,833 2,834 2,846 3,854 8.167,855 4.045,856 3.306,857 1.278,858 1.473,859 1.261,860 1.008,861 3.839,862 7.122,863 3.045,864 3.624,865 4.082,866 4.571,867 4.928,868 5.001,869 4.896,870 5.044,871 5.094,872 4.961,873 1,874 19,875 5.49,876 -0.001,877 2.254,878 7.745,879 10.436,881 8.258,883 2.245,884 33.676,885 0.004,888 70.627,889 93.263,890 52.807,891 78.297,894 56.782,895 36.481,896 148.924,897 52.807,899 4.211,900 36.963,901 18.011,902 28.203,903 1.899,904 127.409,905 78.297,906 70.627,907 89.288,909 78.297,910 56.782,911 70.627,915 39.008,916 32.269,917 96.308,918 56.782,919 70.627,920 52.807,921 114.778,922 56.782,924 70.627,925 17.528,926 75.735,927 36.022,928 95.083,929 70.627,930 52.807,931 114.778,932 56.782,933 0.582,934 0.331,935 0.18,936 0.08,937 11,938 5,939 0.083,940 2,942 1,943 2.713,944 95.48,946 11,947 52.603,951 11.598,952 4.965,953 2.819,955 52.807,956 3.706,961 2.91,963 36.022,964 294.994,965 20,973 4.211,974 0.722,975 23.556,976 25.764,977 0.43,978 0.827,979 0.885,980 0.885,981 0.885,982 0.885,983 4.27,984 -0.347,985 5.153,986 1.302,987 3.807,988 4.304,989 1.416,990 5.927,991 3.512,992 5.478,993 -0.581,994 6.693,995 -0.898,996 3.434,997 4.205,998 0.623,999 6.742,1000 2.783,1001 6.787,1002 -0.753,1003 8.332,1004 -1.425,1005 5.361,1006 6.46,1007 1.529,1008 9.822,1009 4.848,1010 8.131,1011 -1.454,1012 10.026,1013 -1.847,1014 5.771,1015 7.12,1016 1.178,1017 11.447,1018 4.952,1019 9.502,1020 -1.532,1021 11.757,1022 -3.397,1023 7.192,1024 8.897,1025 1.785,1026 14.051,1027 6.459,1028 10.891,1029 -1.597,1030 13.513,1031 -4.117,1032 7.967,1033 9.914,1034 1.663,1035 16.037,1036 6.979,1037 12.295,1038 -1.618,1039 15.289,1040 -4.372,1041 9.19,1042 11.498,1043 2.114,1044 18.462,1045 8.225,1046 3.033,1047 -1.973,1048 17.08,1049 -4.493,1050 10.139,1051 12.698,1052 2.128,1053 20.613,1054 8.958,1055 2.495,1056 9.87,1057 18.884,1058 -5.916,1059 11.284,1060 14.193,1061 2.491,1062 22.963,1063 10.074,1064 2.079,1065 6.98,1066 20.698,1067 4.078,1068 12.315,1069 15.49,1070 2.589,1071 25.189,1072 10.92,1073 1.879,1074 5.805,1075 22.52,1076 3.116,1077 13.431,1078 16.942,1079 2.899,1080 27.506,1081 11.971,1082 1.238,1083 5.225,1084 24.35,1085 2.731,1086 14.5,1087 18.289,1088 3.051,1089 29.767,1090 12.878,1091 0.618,1092 2.744,1093 26.186,1094 2.481,1095 15.608,1096 19.719,1097 3.329,1098 32.069,1099 13.896,1100 0.512,1101 1.372,1102 28.026,1103 1.268,1104 16.696,1105 21.093,1106 3.513,1107 34.345,1108 14.837,1109 1584,1110 3390,1111 10.345,1112 19.438,1113 23.772,1114 24.64,1115 24.159,1116 24.192,1117 23.71,1118 29.828,1119 3.573,1120 66.597,1121 19.66,1122 5.294,1123 5.43,1124 6.051,1125 4.999,1126 5.033,1127 7.078,1128 2.232,1129 16.705,1130 4.681,1131 7.298,1132 1.486,1133 1.54,1134 1.51,1135 1.512,1136 1.482,1137 1.864,1138 0.223,1139 4.162,1140 1.229,1141 3.936,1142 3.968,1143 10.695,1144 4.035,1145 5.024,1146 3.884,1147 3.737,1148 3.798,1149 4.076,1150 3.562,1151 4.739,1152 3.55,1153 3.054,1154 3.127,1155 3.671,1156 3.372,1157 4.632,1158 2.961,1159 2.901,1160 2.918,1161 3.582,1162 2.849,1163 4.085,1164 2.815,1165 2.631,1166 2.7,1167 2.916,1168 2.636,1169 3.78,1170 2.515,1171 2.551,1172 2.668,1173 2.824,1174 2.218,1175 3.499,1176 2.188,1177 2.043,1178 2.184,1179 2.302,1180 2.186,1181 3.125,1182 1.749,1183 1.729,1184 1.792,1185 2.187,1186 1.629,1187 3.064,1188 1.506,1189 0.275,1190 0.214,1191 0.402,1192 0.246,1193 0.19,1194 4.396,1195 0.255,1196 3.43,1197 0.079,1198 6.437,1199 0.617,1200 3.936,1201 0.168,1202 3.033,1203 4.078,1204 1.263,1205 9.87,1206 2.681,1207 1.873,1208 1.862,1209 1.858,1210 1.926,1211 1.075,1212 1.937,1213 1.445,1214 1.362,1215 1.73,1216 1.681,1217 1.004,1218 1.704,1219 1.309,1220 1.232,1221 1.426,1222 1.588,1223 0.449,1224 1.559,1225 0.849,1226 0.827,1227 1,1228 0.987,1229 0.123,1230 1.008,1231 0.816,1232 0.787,1233 0.958,1234 0.962,1235 0.105,1236 1.004,1237 0.231,1238 0.106,1239 0.606,1240 0.494,1242 0.565,1245 0.397,1246 0.359,1248 0.421,1251 0.098,1252 0.074,1254 0.1,1255 3.497,1257 4.796,1258 2.398,1259 6.275,1260 4.443,1261 7.848,1262 6.26,1263 9.474,1266 12.157,1268 2.17,1271 1.629,1272 6.17,1280 17.143,1281 44.758,1282 86.042,1283 92.042,1284 92.042,1285 92.042,1286 92.042,1287 18.016,1288 5.649,1289 36.42,1290 36.42,1291 11,1292 11.706,1293 3,1294 2.322,1295 23.527,1296 34,1297 30,1298 0.35,1299 125.239,1300 206.78,1301 297.342,1302 1525,1303 13,1304 10.836,1305 0.722,1306 0.755,1307 13.336,1308 11.319,1309 7.165,1310 0.448,1311 0.387,1312 4.437,1313 5.674,1314 4.231,1315 3.449,1316 8.608,1317 6.2,1318 6.581,1319 0.299,1320 0.231,1321 8.548,1322 5.087,1323 5.09,1324 0.189,1325 0.116,1326 6.461,1327 3.143,1328 4.372,1329 0.129,1330 0.083,1331 6.756,1332 2.834,1333 2.58,1334 0.076,1335 0.034,1336 3.471,1337 1.146,1338 0.519,1339 64.223,1340 0.311,1341 15.032,1342 1.04,1343 76,1344 240.366,1345 261.61,1346 335.775,1347 424.31,1348 310,1349 87,1350 233.091,1351 164.591,1352 269.967,1353 395.18,1354 254,1355 7.301} {0 CHEMBL361061,1 1.503,2 11.346,3 3.168,4 10.036,5 102.718,6 7.07,7 0.414,8 4.004,9 4.134,10 3.535,11 3.549,12 5.028,13 3.517,14 4.587,15 4.779,16 3.908,17 3.971,18 5.584,19 3.917,20 4.884,21 5.113,22 3.935,23 4.13,24 5.846,25 4.033,26 4.954,27 5.214,28 3.811,29 4.109,30 5.857,31 3.972,32 4.898,33 5.176,34 3.724,35 4.019,36 5.732,37 3.876,38 4.744,39 5.001,40 3.711,41 3.923,42 5.786,43 3.801,44 4.662,45 4.92,46 3.594,47 3.853,48 5.541,49 3.727,50 4.598,51 4.855,52 3.478,53 3.73,54 5.568,55 3.607,56 0.018,57 0.806,58 10.896,59 4.709,60 5.534,61 6.392,62 0.185,63 1.343,64 21.177,65 7.788,66 20.868,67 11.026,68 0.263,69 1.673,70 29.901,71 10.707,72 40.167,73 15.065,74 0.339,75 1.629,76 32.995,77 11.997,78 49.325,79 16.987,80 0.263,81 1.448,82 31.527,83 11.361,84 42.678,85 16.518,86 0.484,87 1.346,88 26.786,89 9.224,90 67.708,91 13.588,92 0.182,93 1.237,94 24.299,95 8.9,96 28.197,97 12.791,98 0.267,99 1.136,100 23.304,101 8.144,102 41.298,103 11.43,104 10,105 41,106 0.254,107 0.576,108 0.759,109 0.831,110 0.831,111 0.831,112 3.304,113 0.957,114 -4.89,115 -4.79,116 -4.5,119 42,121 3,124 1,125 3,127 1,140 7,141 2,142 3,156 1,169 7,172 8,174 1,176 3,178 9,182 3,186 3,189 5,192 1,193 5,195 1,197 3,199 8,203 1,208 1,211 7,214 1,215 5,220 2,222 9,226 4,233 5,237 5,240 1,244 6,256 6,259 968,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 16.034,266 26.898,267 10.251,268 17.913,269 14.303,270 14.303,271 14.303,272 14.303,273 14.303,274 11.884,275 42.533,276 4.898,277 14.818,278 4.141,279 2.241,280 1.158,281 0.735,282 0.735,283 0.735,284 4.002,287 1,288 1,289 1,290 646,291 2.828,294 59.335,295 232.544,298 105.574,302 1.68,303 24.27,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56,315 295,316 4.415,317 3.576,318 6.719,319 4.132,320 3.174,321 3.993,322 1.058,323 10.946,324 3.046,325 4.186,326 3.403,327 6.057,328 3.836,329 2.839,330 3.754,331 0.8,332 8.718,333 2.825,334 3.781,335 2.885,336 5.772,337 3.562,338 2.595,339 3.098,340 0.8,341 7.868,342 2.508,343 3.644,344 2.802,345 5.262,346 3.315,347 2.367,348 2.879,350 6.675,351 2.241,352 3.464,353 2.54,354 5.034,355 3.147,356 2.207,357 2.641,359 6.012,360 2.065,361 3.218,362 2.329,363 4.997,364 3.025,365 2.065,366 2.276,368 5.916,369 1.965,370 2.787,371 1.962,372 4.547,373 2.478,374 1.502,375 1.862,377 4.361,378 1.463,379 2.768,380 1.665,381 4.06,382 2.292,383 1.296,384 1.784,386 3.407,387 1.275,388 2.5,389 1.304,390 3.933,391 2.093,392 1.115,393 1.5,395 2.953,396 1.086,397 2.25,398 1.077,399 3.414,400 2,401 1,402 1.231,404 2.275,405 1,406 2,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 1.836,416 0.833,417 3.241,418 1.606,419 0.622,420 0.73,422 1.52,423 0.61,424 1.161,425 0.506,426 2.787,427 0.903,428 -0.057,429 -0.065,431 -0.138,432 -0.054,433 1.111,434 0.334,435 2.486,436 0.715,437 -0.221,438 -0.245,440 -0.489,441 -0.203,442 0.808,443 0.008,444 2.267,445 0.62,446 -0.361,447 -0.454,449 -0.849,450 -0.346,451 12.319,452 0.474,453 0.661,454 0.025,455 31.5,456 1.212,457 14.5,458 0.558,459 17,460 0.654,461 22.361,462 0.86,463 28.481,464 0.57,465 22.291,466 0.857,467 6.078,468 0.234,469 6.519,470 0.251,471 0.091,473 0.349,477 1,479 0.631,480 1.232,481 0.801,482 1.116,483 0.498,484 1.007,485 0.759,486 1.05,487 0.899,488 0.976,489 0.473,490 0.95,491 0.971,492 1.044,493 1.065,494 1.063,495 0.765,496 1.067,497 0.8,498 0.865,499 1.009,500 1.034,501 0.761,502 1.052,503 0.643,504 0.797,505 0.812,506 0.909,507 0.666,508 0.897,509 0.528,510 0.773,511 0.9,512 0.914,513 0.439,514 0.953,515 0.695,516 0.92,517 0.92,518 1.02,519 0.643,520 1.005,521 1.004,522 0.873,523 1.008,524 0.962,525 1.069,526 0.985,527 5.5,528 0.104,529 3.333,530 1.507,531 1.383,532 0.782,533 0.454,534 0.466,535 0.3,536 0.136,537 8422,538 20265,539 2.124,540 48,542 17,545 1,547 2,548 4,550 1.689,551 2,552 3.474,553 -0.37,554 1,555 1,559 75.16,560 1.503,561 3.403,562 4.486,563 4.909,564 4.909,565 4.909,566 2.917,567 3.95,568 4.67,569 3.586,570 1165.32,571 8.086,572 14530.1,574 1,576 1,577 282.193,578 1.37,579 4.637,580 0.19,581 0.006,582 0.081,583 0.038,584 0.041,585 0.024,586 0.015,587 0.017,588 0.013,589 0.006,590 0.43,591 0.5,592 1,593 0.54,594 127.614,595 -0.013,596 -0.147,597 0.059,598 -0.04,599 -0.008,600 0.009,601 -0.007,602 -0.023,603 0.017,604 0.018,605 0.078,606 0.024,607 -0.103,608 -0.051,609 -0.115,610 -0.083,611 0.007,612 -0.093,613 -0.012,614 0.007,615 -0.055,616 -0.063,617 0.009,618 -0.065,619 0.022,620 -0.046,621 0.138,622 0.057,623 0.023,624 0.104,625 0.234,626 0.102,627 0.054,628 0.043,629 0.233,630 0.024,631 -0.008,632 -0.051,633 0.02,634 -0.041,635 -0.02,636 -0.009,637 -0.058,638 -0.019,639 -0.03,640 -0.005,641 -0.06,642 -0.014,643 2.007,644 5.392,645 0.808,646 23.42,647 0.997,648 1.132,649 3.655,650 13.361,651 0.656,652 3.401,653 3.738,654 4.007,655 4.263,656 4.511,657 4.585,658 4.691,659 4.844,660 4.905,661 4.963,662 6.423,663 0.619,664 353.48,665 3.401,666 4.949,667 5.802,668 6.681,669 7.552,670 8.436,671 9.315,672 10.202,673 11.086,674 11.976,675 6,678 1,681 1,682 1,688 7,693 5,695 12,702 1,709 1,713 1,714 50,716 13,717 2,718 29,720 53,721 21,722 12,723 5,724 7,725 1,730 4,731 5,740 4,743 4,745 13,746 8,750 1,755 1,759 1,760 1,761 1,762 1,764 24,765 5,766 1,767 5,773 3,777 0.75,778 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 26,833 6,834 1,837 1,838 2,846 1,847 2,850 1,854 13,855 9.126,856 5.611,857 3.152,858 2.165,859 1.286,860 1.001,861 4.859,862 9.729,863 3.611,864 4.159,865 4.668,866 5.169,867 5.676,868 5.829,869 6.068,870 6.363,871 6.576,872 6.872,873 0.875,874 40,875 9.685,877 4.194,878 7.724,879 18.848,881 16.067,883 2.224,884 57.833,887 1,888 270.735,889 114.361,890 24.259,892 25.145,893 14.96,895 114.361,896 295.88,897 39.219,898 8.396,899 31.931,900 66.334,901 29.85,902 27.254,903 14.96,904 270.735,906 270.735,907 138.621,908 40.105,911 215.069,912 95.772,915 35.056,916 103.565,919 285.695,920 49.404,921 114.361,924 270.735,925 39.631,926 80.979,927 18.011,928 40.105,929 270.735,930 64.364,931 114.361,933 0.588,934 0.339,935 0.176,936 0.101,937 21,938 9,939 0.057,940 3,941 1,942 1.095,943 3.856,944 221.096,945 0.095,946 21,947 114.211,951 17.354,952 7.279,953 3.734,955 64.364,956 11.773,961 3.505,963 18.011,964 449.461,965 36,970 12.392,974 -0.214,975 49.865,976 56.611,977 0.266,978 0.603,979 0.795,980 0.87,981 0.87,982 0.87,983 4.868,984 1.296,985 5.79,986 4.361,987 4.419,988 4.844,989 1.641,990 6.592,991 4.353,992 6.046,993 1.115,994 7.344,995 3.407,996 4.007,997 4.59,998 0.57,999 7.466,1000 3.884,1001 7.338,1002 1,1003 8.994,1004 2.953,1005 6.009,1006 6.924,1007 1.488,1008 10.552,1009 5.878,1010 8.659,1011 1,1012 10.701,1013 2.275,1014 6.399,1015 7.455,1016 0.479,1017 12.275,1018 6.217,1019 10.012,1020 0.622,1021 12.445,1022 2.275,1023 7.874,1024 9.297,1025 1.47,1026 14.886,1027 7.681,1028 11.385,1029 -0.057,1030 14.216,1031 1.52,1032 8.638,1033 10.198,1034 0.346,1035 16.977,1036 8.401,1037 12.775,1038 -0.221,1039 16.008,1040 -0.138,1041 9.899,1042 11.824,1043 1.501,1044 19.431,1045 9.644,1046 3.174,1047 -0.361,1048 17.816,1049 -0.489,1050 10.85,1051 12.922,1052 0.237,1053 21.688,1054 10.552,1055 2.839,1056 10.946,1057 19.638,1058 -0.849,1059 12.024,1060 14.436,1061 1.556,1062 24.091,1063 11.701,1064 2.595,1065 8.718,1066 21.472,1067 3.993,1068 13.067,1069 15.646,1070 0.158,1071 26.42,1072 12.703,1073 2.367,1074 7.868,1075 23.314,1076 3.754,1077 14.209,1078 17.098,1079 1.626,1080 28.808,1081 13.814,1082 2.207,1083 6.675,1084 25.165,1085 3.098,1086 15.299,1087 18.374,1088 0.104,1089 31.17,1090 14.862,1091 2.065,1092 6.012,1093 27.023,1094 2.879,1095 16.433,1096 19.79,1097 1.706,1098 33.556,1099 15.96,1100 1.502,1101 5.916,1102 28.887,1103 2.641,1104 17.546,1105 21.105,1106 0.068,1107 35.933,1108 17.032,1109 7956,1110 12531,1111 19.592,1112 32.785,1113 43.905,1114 44.911,1115 45.037,1116 43.686,1117 43.564,1118 53.496,1119 5.317,1120 125.856,1121 42.132,1122 5.415,1123 5.576,1124 6.133,1125 5.167,1126 5.174,1127 6.993,1128 2.117,1129 18.077,1130 5.046,1131 11.599,1132 1.514,1133 1.549,1134 1.553,1135 1.506,1136 1.502,1137 1.845,1138 0.183,1139 4.34,1140 1.453,1141 4.051,1142 4.092,1143 3.993,1144 3.955,1145 8.201,1146 3.959,1147 3.912,1148 3.939,1149 3.862,1150 3.833,1151 7.429,1152 3.835,1153 3.806,1154 3.867,1155 3.689,1156 3.664,1157 4.766,1158 3.661,1159 3.482,1160 3.546,1161 3.394,1162 3.297,1163 4.594,1164 3.306,1165 3.262,1166 3.333,1167 3.173,1168 3.04,1169 4.364,1170 3.066,1171 3.175,1172 3.233,1173 2.997,1174 2.977,1175 4.099,1176 2.974,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.826,1182 2.91,1183 2.889,1184 2.964,1185 2.737,1186 2.747,1187 3.674,1188 2.735,1189 0.152,1190 0.123,1191 0.232,1192 0.142,1193 0.109,1194 4.415,1195 0.138,1196 3.576,1197 0.036,1198 6.719,1199 0.377,1200 4.132,1201 0.105,1202 3.174,1203 3.993,1204 1.058,1205 10.946,1206 3.046,1207 1.927,1208 1.901,1209 2.053,1210 2.051,1211 1.418,1212 2.055,1213 1.872,1214 1.844,1215 2.006,1216 2.007,1217 1.184,1218 2.008,1219 1.814,1220 1.756,1221 1.958,1222 1.93,1223 1.062,1224 1.94,1225 1.463,1226 1.388,1227 1.72,1228 1.689,1229 0.98,1230 1.705,1231 1.251,1232 1.189,1233 1.569,1234 1.51,1235 0.825,1236 1.519,1237 1.153,1238 1.079,1239 1.513,1240 1.403,1241 0.719,1242 1.429,1243 1.141,1244 1.064,1245 1.299,1246 1.376,1247 0.424,1248 1.388,1249 0.898,1250 0.835,1251 1.181,1252 1.114,1253 0.294,1254 1.139,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.528,1262 6.843,1263 10.173,1265 2.178,1267 13.031,1271 6.756,1272 2.942,1275 0.579,1276 4.892,1280 30.957,1281 75.16,1282 170.135,1283 224.277,1284 245.438,1285 245.438,1286 245.438,1287 43.337,1288 7.564,1289 35.58,1290 35.58,1291 23,1292 12.506,1293 3.807,1294 3,1295 38.116,1296 101,1297 104,1298 0.187,1299 187.722,1300 330,1301 449.801,1302 20221,1303 2,1304 18.096,1305 0.696,1306 0.579,1307 17.225,1308 15.042,1309 12.597,1310 0.434,1311 0.319,1312 9.131,1313 12.14,1314 8.923,1315 7.345,1316 12.204,1317 9.25,1318 11.597,1319 0.283,1320 0.178,1321 10.975,1322 7.282,1323 9.814,1324 0.182,1325 0.102,1326 9.403,1327 5.51,1328 7.949,1329 0.114,1330 0.057,1331 7.797,1332 3.972,1333 6.608,1334 0.073,1335 0.032,1336 6.397,1337 2.905,1338 0.294,1339 78.67,1340 0.226,1341 25.189,1342 0.509,1343 140,1344 403.47,1345 152.595,1346 367.652,1347 497.29,1348 344,1349 165,1350 361.153,1351 177.397,1352 361.926,1353 529.19,1354 341,1355 6.678} {0 CHEMBL361303,1 1.52,2 11.346,3 3.43,4 11.768,5 100.964,6 7.322,7 0.552,8 3.969,9 4.094,10 3.53,11 3.527,12 5.038,13 3.501,14 4.527,15 4.708,16 3.9,17 3.939,18 5.574,19 3.894,20 4.817,21 5.038,22 3.924,23 4.088,24 5.828,25 4.002,26 4.893,27 5.15,28 3.798,29 4.06,30 5.845,31 3.934,32 4.782,33 5.046,34 3.708,35 3.945,36 5.696,37 3.823,38 4.622,39 4.855,40 3.699,41 3.867,42 5.748,43 3.761,44 4.571,45 4.812,46 3.583,47 3.804,48 5.532,49 3.693,50 4.514,51 4.766,52 3.462,53 3.682,54 5.502,55 3.569,56 0.011,57 0.773,58 9.896,59 4.418,60 5.707,61 5.838,62 0.161,63 1.282,64 19.068,65 7.273,66 19.588,67 9.971,68 0.239,69 1.6,70 27.318,71 10.033,72 39.499,73 13.696,74 0.331,75 1.566,76 30.968,77 11.32,78 50.393,79 15.753,80 0.235,81 1.339,82 27.877,83 10.193,84 42.634,85 14.487,86 0.423,87 1.248,88 22.93,89 8.384,90 63.398,91 11.922,92 0.151,93 1.168,94 21.68,95 8.225,96 28.944,97 11.501,98 0.219,99 1.086,100 21.097,101 7.613,102 35.028,103 10.542,104 10,105 41,106 0.257,107 0.594,108 0.759,109 0.83,110 0.83,111 0.83,112 3.304,113 0.927,114 -4.54,115 -4.46,116 -4.2,119 43.8,121 2,124 1,125 2,127 1,140 8,141 2,142 2,149 1,150 1,156 1,169 7,172 8,174 1,176 3,178 9,182 3,186 3,189 5,192 1,193 5,195 1,197 3,199 8,203 1,208 1,211 7,214 1,215 5,220 2,222 9,226 4,233 5,237 5,240 1,244 6,256 6,259 968,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 15.629,266 21.988,267 10.251,268 17.913,269 14.303,270 14.303,271 14.303,272 14.303,273 14.303,274 11.279,275 28.64,276 4.898,277 14.818,278 4.065,279 2.074,280 1.099,281 0.682,282 0.682,283 0.682,284 4.002,287 1,288 1,289 1,290 646,291 2.828,294 59.335,295 232.544,298 105.574,302 1.68,303 23.964,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56,315 295,316 4.587,317 3.574,318 6.719,319 4.132,320 3.174,321 4.52,322 1.058,323 10.946,324 3.046,325 4.193,326 3.237,327 6.057,328 3.836,329 2.839,330 3.763,331 0.8,332 8.718,333 2.825,334 3.82,335 2.885,336 5.772,337 3.562,338 2.595,339 3.214,341 7.868,342 2.508,343 3.667,344 2.776,345 5.262,346 3.315,347 2.367,348 2.974,350 6.675,351 2.241,352 3.5,353 2.507,354 5.034,355 3.147,356 2.207,357 2.798,359 6.012,360 2.065,361 3.295,362 2.227,363 4.997,364 3.025,365 2.065,366 2.391,368 5.916,369 1.965,370 2.856,371 1.96,372 4.547,373 2.478,374 1.502,375 1.965,377 4.361,378 1.463,379 2.775,380 1.522,381 4.06,382 2.292,383 1.296,384 1.798,386 3.407,387 1.275,388 2.543,389 1.178,390 3.933,391 2.093,392 1.115,393 1.547,395 2.953,396 1.086,397 2.5,398 1.077,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.041,407 1,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.744,417 3.241,418 1.606,419 0.622,420 0.86,422 1.52,423 0.61,424 1.22,425 0.492,426 2.787,427 0.903,428 -0.057,429 -0.067,431 -0.138,432 -0.054,433 1.113,434 0.328,435 2.486,436 0.715,437 -0.221,438 -0.251,440 -0.489,441 -0.203,442 0.841,443 -0.046,444 2.267,445 0.62,446 -0.361,447 -0.467,449 -0.849,450 -0.346,451 12.319,452 0.474,453 0.661,454 0.025,455 33,456 1.269,457 16,458 0.615,459 17,460 0.654,461 20.668,462 0.795,463 27.881,464 0.581,465 23.985,466 0.922,467 6.518,468 0.251,469 6.079,470 0.234,471 0.091,473 0.349,477 1,479 0.631,480 1.194,481 0.768,482 1.071,483 0.506,484 0.964,485 0.755,486 1.044,487 0.879,488 0.962,489 0.487,490 0.932,491 0.987,492 1.035,493 1.058,494 1.046,495 0.79,496 1.051,497 0.822,498 0.828,499 0.992,500 0.988,501 0.792,502 1.012,503 0.698,504 0.801,505 0.824,506 0.903,507 0.736,508 0.892,509 0.51,510 0.824,511 0.924,512 0.984,513 0.478,514 1.016,515 0.715,516 0.944,517 0.941,518 1.051,519 0.652,520 1.034,521 0.891,522 0.88,523 0.975,524 0.971,525 0.892,526 0.984,527 5.5,528 0.104,529 3.333,530 1.507,531 1.383,532 0.782,533 0.454,534 0.466,535 0.3,536 0.136,537 8422,538 21212,539 2.124,540 45.8,542 16,543 1,545 1,548 4,550 1.689,551 2,552 3.474,553 -0.37,555 1,559 72.977,560 1.52,561 3.511,562 4.486,563 4.903,564 4.903,565 4.903,566 2.917,567 3.95,568 4.67,569 3.586,570 1165.32,571 8.086,572 14530.1,574 1,576 1,577 268.078,578 1.37,579 4.637,580 0.19,581 0.006,582 0.081,583 0.038,584 0.041,585 0.024,586 0.015,587 0.017,588 0.013,589 0.006,590 0.43,591 0.5,592 1,593 0.54,594 127.614,595 -0.018,596 -0.145,597 0.056,598 -0.04,599 -0.019,600 0.008,601 -0.008,602 -0.029,603 0.012,604 0.012,605 0.073,606 0.017,607 -0.109,608 -0.046,609 -0.116,610 -0.076,611 0.001,612 -0.088,613 -0.015,614 0.035,615 -0.026,616 -0.022,617 -0.002,618 -0.025,619 0.006,620 -0.041,621 0.137,622 0.067,623 0.002,624 0.113,625 0.259,626 0.067,627 0.018,628 -0.014,629 0.235,630 -0.036,631 -0.016,632 -0.069,633 -0.004,634 -0.07,635 -0.002,636 -0.038,637 -0.029,638 -0.019,639 -0.002,640 -0.01,641 -0.025,642 -0.004,643 2.015,644 5.377,645 0.808,646 23.42,647 1,648 1.129,649 3.31,650 10.954,651 0.667,652 3.401,653 3.738,654 4.007,655 4.263,656 4.511,657 4.585,658 4.691,659 4.844,660 4.905,661 4.963,662 6.423,663 0.634,664 351.46,665 3.401,666 4.949,667 5.802,668 6.681,669 7.552,670 8.436,671 9.315,672 10.202,673 11.086,674 11.976,675 6.3,678 1,682 1,683 1,687 2,688 9,693 3,694 1,695 16,702 1,713 1,714 48,716 17,717 2,718 29,720 51,721 21,722 14,723 5,724 7,725 1,730 4,731 5,740 3,743 3,745 15,746 6,750 1,755 1,759 1,760 1,761 1,762 1,764 22,765 4,766 1,767 5,773 3,777 0.75,778 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 26,833 4,834 1,837 1,838 1,846 1,847 2.1,850 1,854 13,855 8.793,856 5.611,857 2.938,858 3.019,859 1.399,860 1.012,861 4.686,862 10.583,863 3.664,864 4.273,865 4.867,866 5.457,867 5.98,868 6.283,869 6.649,870 7.043,871 7.199,872 7.523,873 0.875,874 40,875 9.659,877 4.182,878 7.763,879 18.629,881 15.738,883 2.263,884 58.833,887 1,888 247.193,889 127.019,890 23.034,892 25.145,893 14.96,895 127.019,896 272.338,897 37.994,898 8.396,899 27.291,900 84.857,901 29.85,902 22.66,903 28.875,904 235.422,906 247.193,907 150.053,908 40.105,911 215.069,912 72.229,915 32.315,916 117.739,919 262.153,920 48.179,921 127.019,924 247.193,925 33.766,926 98.277,927 18.011,928 40.105,929 247.193,930 63.139,931 127.019,933 0.588,934 0.339,935 0.176,936 0.101,937 21,938 9,939 0.059,940 3,941 1,942 1.095,943 3.856,944 221.096,945 0.095,946 21,947 114.211,951 17.107,952 7.122,953 3.638,954 2.306,955 61.24,956 15.798,961 0.843,962 2.329,963 18.011,964 437.352,965 38,970 12.377,974 -0.234,975 47.981,976 54.196,977 0.272,978 0.629,979 0.803,980 0.878,981 0.878,982 0.878,983 4.905,984 1.296,985 5.79,986 4.361,987 4.419,988 4.959,989 1.435,990 6.592,991 4.353,992 6.109,993 1.115,994 7.344,995 3.407,996 4.007,997 4.783,998 0.325,999 7.466,1000 3.884,1001 7.415,1002 1,1003 8.994,1004 2.953,1005 6.009,1006 7.172,1007 1.379,1008 10.552,1009 5.878,1010 8.756,1011 1,1012 10.701,1013 2.275,1014 6.399,1015 7.849,1016 0.268,1017 12.275,1018 6.217,1019 10.129,1020 0.622,1021 12.445,1022 2.275,1023 7.874,1024 9.717,1025 1.406,1026 14.886,1027 7.681,1028 11.526,1029 -0.057,1030 14.216,1031 1.52,1032 8.638,1033 10.809,1034 0.188,1035 16.977,1036 8.401,1037 12.943,1038 -0.221,1039 16.008,1040 -0.138,1041 9.899,1042 12.461,1043 1.462,1044 19.431,1045 9.644,1046 3.174,1047 -0.361,1048 17.816,1049 -0.489,1050 10.85,1051 13.762,1052 0.125,1053 21.688,1054 10.552,1055 2.839,1056 10.946,1057 19.638,1058 -0.849,1059 12.024,1060 15.322,1061 1.533,1062 24.091,1063 11.701,1064 2.595,1065 8.718,1066 21.472,1067 4.52,1068 13.067,1069 16.727,1070 0.082,1071 26.42,1072 12.703,1073 2.367,1074 7.868,1075 23.314,1076 3.763,1077 14.209,1078 18.249,1079 1.613,1080 28.808,1081 13.814,1082 2.207,1083 6.675,1084 25.165,1085 3.214,1086 15.299,1087 19.705,1088 0.054,1089 31.17,1090 14.862,1091 2.065,1092 6.012,1093 27.023,1094 2.974,1095 16.433,1096 21.213,1097 1.698,1098 33.556,1099 15.96,1100 1.502,1101 5.916,1102 28.887,1103 2.798,1104 17.546,1105 22.694,1106 0.035,1107 35.933,1108 17.032,1109 7956,1110 12804,1111 19.592,1112 32.023,1113 44.103,1114 44.922,1115 45.037,1116 43.686,1117 43.564,1118 56.664,1119 3.717,1120 125.856,1121 42.132,1122 5.587,1123 5.574,1124 6.133,1125 5.167,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.046,1131 11.599,1132 1.521,1133 1.549,1134 1.553,1135 1.506,1136 1.502,1137 1.954,1138 0.128,1139 4.34,1140 1.453,1141 4.153,1142 4.19,1143 4.11,1144 4.056,1145 8.201,1146 4.065,1147 3.921,1148 3.945,1149 3.875,1150 3.842,1151 7.429,1152 3.845,1153 3.808,1154 3.872,1155 3.688,1156 3.663,1157 4.932,1158 3.66,1159 3.494,1160 3.551,1161 3.428,1162 3.317,1163 4.601,1164 3.333,1165 3.264,1166 3.331,1167 3.18,1168 3.045,1169 4.383,1170 3.068,1171 3.139,1172 3.206,1173 2.989,1174 2.959,1175 4.254,1176 2.959,1177 3.111,1178 3.193,1179 2.866,1180 2.941,1181 3.86,1182 2.91,1183 2.91,1184 2.975,1185 2.765,1186 2.774,1187 3.678,1188 2.762,1189 0.158,1190 0.123,1191 0.232,1192 0.142,1193 0.109,1194 4.587,1195 0.156,1196 3.574,1197 0.036,1198 6.719,1199 0.377,1200 4.132,1201 0.105,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.046,1207 1.963,1208 1.935,1209 2.076,1210 2.09,1211 1.426,1212 2.089,1213 1.885,1214 1.86,1215 2.007,1216 2.008,1217 1.151,1218 2.009,1219 1.822,1220 1.767,1221 1.964,1222 1.942,1223 1.056,1224 1.951,1225 1.466,1226 1.403,1227 1.663,1228 1.683,1229 0.825,1230 1.681,1231 1.257,1232 1.207,1233 1.523,1234 1.503,1235 0.803,1236 1.49,1237 1.153,1238 1.064,1239 1.513,1240 1.387,1241 0.608,1242 1.429,1243 1.132,1244 1.062,1245 1.311,1246 1.376,1247 0.411,1248 1.394,1249 0.922,1250 0.872,1251 1.181,1252 1.107,1253 0.257,1254 1.123,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.528,1262 6.843,1263 10.173,1265 2.16,1267 13.024,1271 4.468,1272 2.914,1275 0.492,1276 2.358,1280 30.43,1281 72.977,1282 168.529,1283 215.323,1284 235.323,1285 235.323,1286 235.323,1287 42.831,1288 7.564,1289 37.27,1290 37.27,1291 23,1292 12.506,1293 4.17,1294 3.322,1295 38.116,1296 101,1297 104,1298 0.187,1299 184.794,1300 316.46,1301 442.658,1302 20221,1303 2.1,1304 18.096,1305 0.696,1306 0.569,1307 17.225,1308 14.783,1309 12.597,1310 0.434,1311 0.309,1312 8.844,1313 12.14,1314 8.642,1315 7.138,1316 12.204,1317 8.961,1318 11.597,1319 0.283,1320 0.171,1321 10.975,1322 6.992,1323 9.814,1324 0.182,1325 0.096,1326 9.403,1327 5.169,1328 7.949,1329 0.114,1330 0.052,1331 7.797,1332 3.623,1333 6.608,1334 0.073,1335 0.029,1336 6.397,1337 2.643,1338 0.294,1339 78.67,1340 0.226,1341 25.189,1342 0.509,1343 140,1344 413.47,1345 152.595,1346 378.79,1347 513.55,1348 354,1349 165,1350 375.505,1351 177.397,1352 377.092,1353 550.66,1354 355,1355 6.854} {0 CHEMBL361470,1 1.187,2 7.842,3 3.782,4 14.301,5 82.683,6 5.743,7 0.3,8 3.835,9 3.987,10 3.172,11 3.376,12 4.715,13 3.289,14 4.422,15 4.66,16 3.536,17 3.788,18 5.195,19 3.674,20 4.661,21 4.886,22 3.577,23 3.995,24 5.473,25 3.841,26 4.863,27 5.155,28 3.463,29 4.019,30 5.531,31 3.81,32 4.787,33 5.085,34 3.451,35 3.921,36 5.474,37 3.723,38 4.692,39 4.969,40 3.185,41 3.829,42 5.427,43 3.614,44 4.756,45 5.111,46 2.842,47 3.69,48 5.23,49 3.385,50 4.426,51 4.795,52 2.63,53 3.274,54 4.95,55 2.992,56 0.058,57 0.626,58 11.205,59 4.537,60 7.732,61 6.719,62 0.142,63 1.013,64 19.267,65 7.531,66 14.138,67 11.216,68 0.151,69 1.275,70 24.51,71 9.559,72 21.156,73 14.327,74 0.155,75 1.374,76 28.063,77 11.374,78 22.724,79 16.814,80 0.144,81 1.272,82 25.991,83 10.2,84 23.593,85 15.29,86 0.185,87 1.19,88 24.366,89 8.697,90 23.745,91 13.474,92 0.122,93 1.063,94 23.492,95 9.746,96 16.15,97 14.285,98 0.107,99 0.756,100 16.907,101 6.169,102 15.552,103 9.518,104 27,105 29,106 0.21,107 0.49,108 0.718,109 0.718,110 0.718,111 0.718,112 3.01,113 1.088,114 -5.08,115 -4.98,116 -4.66,119 37.8,120 5,121 2,123 1,125 2,140 2,141 4,156 1,169 13,172 2,174 1,176 2,178 20,182 1,186 1,189 19,193 2,197 2,199 14,203 4,208 4,211 11,215 1,220 1,222 5,226 1,231 1,233 4,237 3,242 3,244 1,256 1,259 406,260 12.041,261 12.041,262 12.041,263 12.041,264 12.041,265 10.965,266 19.457,267 7.002,268 12.175,269 9.869,270 9.869,271 9.869,272 9.869,273 9.869,274 8.226,275 24.91,276 3.349,277 10.082,278 4.304,279 2.729,280 1.44,281 1.44,282 1.44,283 1.44,284 3.658,287 1,288 1,289 1,290 304,291 3.082,295 128.821,302 1.324,303 8.879,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 39,315 149,316 4.539,317 3.571,318 7.128,319 4.345,320 3.346,321 4.143,322 1.505,323 11.757,324 3.345,325 4.176,326 3.286,327 6.401,328 3.927,329 2.932,330 3.426,331 0.368,332 9.712,333 2.919,334 3.78,335 2.903,336 5.316,337 3.375,338 2.436,339 3.032,340 0.265,341 6.875,342 2.284,343 3.232,344 2.147,345 4.879,346 2.879,347 1.879,348 2.481,350 5.225,351 1.879,352 2.921,353 1.787,354 4.664,355 2.621,356 1.628,357 2.029,359 4.842,360 1.617,361 2.498,362 1.549,363 3.676,364 2.396,365 1.412,366 1.486,368 3.098,369 1.387,370 2.09,371 1.389,372 3.336,373 1.917,374 1,375 1.046,377 2.136,378 0.916,379 1.673,380 1.008,381 3.247,382 1.51,383 0.522,384 0.572,386 1.368,387 0.515,388 1,389 -0.021,390 2.73,391 0.653,392 -0.347,393 -0.445,395 -0.898,396 -0.347,397 0.715,398 -0.11,399 2.653,400 0.541,401 -0.429,402 -0.457,404 -1.033,405 -0.416,406 0.293,407 -0.589,408 2.16,410 -1,411 -1,413 -2.347,414 -0.946,415 0.183,416 -0.632,417 2,419 -1,420 -1,422 -2.589,423 -1,425 -0.804,426 2,428 -1,429 -1.089,431 -3,432 -1,434 -1,435 1.555,436 -0.049,437 -1,438 -1.14,440 -3,441 -1,442 -0.048,443 -1,444 1.468,445 -0.187,446 -1.137,447 -1.33,449 -3.178,450 -1.077,451 9.3,452 0.489,453 0.71,454 0.037,455 18.5,456 0.974,457 7.5,458 0.395,459 11,460 0.579,461 20.859,462 1.098,463 21.9,464 0.487,465 10.387,466 0.547,467 3.209,468 0.169,469 5.668,470 0.298,471 0.269,472 0.054,473 0.269,479 1.043,480 1.374,481 1.107,482 1.239,483 1.31,484 1.187,485 0.973,486 0.935,487 0.874,488 0.884,489 0.738,490 0.875,491 1.396,492 1.246,493 1.31,494 1.266,495 1.464,496 1.28,497 0.776,498 1.049,499 1.012,500 1.072,501 0.956,502 1.059,503 0.651,504 1.12,505 0.888,506 1.035,507 0.583,508 0.986,509 1.861,510 1.154,511 1.43,512 1.227,513 1.894,514 1.289,515 0.372,516 0.857,517 0.8,518 0.903,519 0.595,520 0.882,521 0.586,522 0.899,523 0.651,524 0.774,525 0.452,526 0.727,527 5.5,528 0.037,529 2.444,530 1.438,531 1.636,532 0.59,533 0.245,534 0.292,535 0.136,536 0.074,537 2896,538 4712,539 1.923,540 57.8,541 15,542 6,545 1,546 2,548 2,550 1.604,551 1.74,552 2.938,553 -0.404,555 1,557 1,559 53.435,560 1.187,561 2.763,562 4.052,563 4.052,564 4.052,565 4.052,566 2.465,567 3.471,568 4.219,569 3.108,570 531.459,571 7.191,572 5148.96,574 1,576 1,577 247.133,578 1.763,579 4.128,580 0.275,581 0.012,582 0.084,583 0.051,584 0.068,585 0.025,586 0.015,587 0.027,588 0.015,589 0.011,590 0.583,591 0.83,592 1,593 0.954,594 81.744,595 0.037,596 -0.075,597 0.039,598 -0.012,599 -0.199,600 0.009,601 0.193,602 0.204,603 0.194,604 0.199,605 0.277,606 0.197,607 -0.224,608 -0.087,609 -0.237,610 -0.172,611 -0.275,612 -0.199,613 -0.009,614 -0.07,615 -0.043,616 -0.061,617 -0.055,618 -0.055,619 0.153,620 -0.155,621 0.079,622 -0.04,623 0.305,624 0.006,625 -0.399,626 -0.086,627 -0.393,628 -0.254,629 -0.552,630 -0.311,631 0.116,632 -0.039,633 0.079,634 0.019,635 0.06,636 0.042,637 0.267,638 -0.093,639 0.24,640 0.085,641 0.381,642 0.148,643 1.033,644 1.584,645 0.632,646 13.019,647 0.973,648 1.133,649 3.851,650 14.828,651 0.626,652 3.045,653 3.401,654 3.555,655 3.738,656 3.97,657 3.871,658 3.892,659 3.761,660 3.714,661 3.497,662 4.794,663 0.564,664 258.45,665 3.045,666 4.595,667 5.416,668 6.301,669 7.149,670 8.032,671 8.892,672 9.773,673 10.64,674 11.52,675 4.4,677 1,684 1,688 2,693 4,695 6,714 45,716 7,717 1,718 20,720 46,721 17,722 6,723 4,724 2,730 2,731 2,736 5,737 1,740 1,743 2,745 7,746 10,750 1,758 1,759 1,761 1,764 26,765 2,766 1,767 2,773 2,774 1,777 1,793 2,814 1,819 2,823 5,827 19,833 4,834 1,839 1,854 10.917,855 9.617,856 4.056,857 2.858,858 1.462,859 1.239,860 0.923,861 4.102,862 7.587,863 3.219,864 3.795,865 4.238,866 4.711,867 5.208,868 5.309,869 5.451,870 5.416,871 5.506,872 5.411,873 1,874 28,875 7.053,877 2.829,878 7.346,879 14.193,881 11.6,883 1.846,884 35.083,885 0.004,888 294.278,889 87.429,890 34.796,895 87.429,896 294.278,897 34.796,898 44.126,899 9.28,900 36.963,901 2.328,902 29.528,904 294.278,906 294.278,907 122.225,911 270.735,912 23.542,915 88.203,916 34.023,919 294.278,920 34.796,921 87.429,924 294.278,925 24.351,926 63.079,927 18.011,928 16.786,929 294.278,930 34.796,931 87.429,933 0.598,934 0.326,935 0.16,936 0.096,937 14,938 7,939 0.065,940 3,942 1,943 3.005,944 134.941,946 12,947 69.956,951 14.27,952 5.462,953 3.447,955 34.796,956 4.678,961 5.63,963 18.011,964 416.503,965 24,973 4.584,974 1.154,975 43.807,976 50.979,977 0.216,978 0.503,979 0.738,980 0.738,981 0.738,982 0.738,983 4.494,984 0.522,985 5.476,986 2.136,987 4.078,988 4.477,989 1.696,990 6.333,991 4.044,992 5.734,993 -0.347,994 7.084,995 1.368,996 4.007,997 4.511,998 0.904,999 7.591,1000 3.986,1001 7.077,1002 -0.429,1003 8.809,1004 -0.898,1005 5.79,1006 6.64,1007 2.113,1008 10.564,1009 5.742,1010 8.452,1011 -1,1012 10.602,1013 -1.033,1014 6.463,1015 7.386,1016 1.864,1017 12.574,1018 6.435,1019 9.857,1020 -1,1021 12.438,1022 -2.347,1023 7.843,1024 9.106,1025 2.717,1026 15.178,1027 7.798,1028 11.28,1029 -1,1030 14.303,1031 -2.589,1032 8.817,1033 10.174,1034 2.755,1035 17.459,1036 8.789,1037 12.718,1038 -1,1039 16.189,1040 -3,1041 10.063,1042 11.727,1043 3.416,1044 19.953,1045 10.027,1046 3.346,1047 -1.137,1048 18.089,1049 -3,1050 11.16,1051 12.958,1052 3.615,1053 22.336,1054 11.136,1055 2.932,1056 11.757,1057 20,1058 -3.178,1059 12.362,1060 14.437,1061 4.169,1062 24.797,1063 12.335,1064 2.436,1065 9.712,1066 21.92,1067 4.143,1068 13.512,1069 15.753,1070 4.458,1071 27.221,1072 13.492,1073 1.879,1074 6.875,1075 23.847,1076 3.426,1077 14.702,1078 17.198,1079 4.951,1080 29.675,1081 14.682,1082 1.628,1083 5.225,1084 25.779,1085 3.032,1086 15.876,1087 18.56,1088 5.291,1089 32.117,1090 15.859,1091 1.412,1092 4.842,1093 27.716,1094 2.481,1095 17.065,1096 19.99,1097 5.749,1098 34.571,1099 17.05,1100 1,1101 3.098,1102 29.656,1103 2.029,1104 18.25,1105 21.377,1106 6.119,1107 37.022,1108 18.237,1109 3000,1110 3900,1111 12.425,1112 28.148,1113 30.619,1114 30.88,1115 30.896,1116 30.262,1117 30.308,1118 36.431,1119 4.277,1120 90.025,1121 29.726,1122 5.468,1123 5.571,1124 6.93,1125 5.414,1126 5.346,1127 7.143,1128 2.65,1129 18.821,1130 5.345,1131 11.27,1132 1.531,1133 1.544,1134 1.545,1135 1.513,1136 1.515,1137 1.822,1138 0.214,1139 4.501,1140 1.486,1141 4.025,1142 4.057,1143 3.964,1144 3.974,1145 4.774,1146 3.968,1147 3.788,1148 3.857,1149 3.684,1150 3.618,1151 4.631,1152 3.623,1153 3.615,1154 3.678,1155 3.468,1156 3.5,1157 4.238,1158 3.486,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 3.966,1164 3.101,1165 3.184,1166 3.261,1167 3.01,1168 3.043,1169 3.77,1170 3.026,1171 2.936,1172 3.043,1173 2.705,1174 2.755,1175 3.653,1176 2.725,1177 2.924,1178 3.038,1179 2.686,1180 2.645,1181 3.58,1182 2.64,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.227,1190 0.179,1191 0.356,1192 0.217,1193 0.167,1194 4.539,1195 0.207,1196 3.571,1197 0.075,1198 7.128,1199 0.588,1200 4.345,1201 0.167,1202 3.346,1203 4.143,1204 1.505,1205 11.757,1206 3.345,1207 2.007,1208 1.982,1209 2.125,1210 2.084,1211 1.354,1212 2.099,1213 1.754,1214 1.69,1215 1.964,1216 1.956,1217 1.228,1218 1.963,1219 1.634,1220 1.574,1221 1.882,1222 1.79,1223 1.099,1224 1.826,1225 1.303,1226 1.226,1227 1.639,1228 1.507,1229 0.719,1230 1.557,1231 1.203,1232 1.133,1233 1.493,1234 1.397,1235 0.713,1236 1.434,1237 0.977,1238 0.881,1239 1.417,1240 1.239,1241 0.492,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.349,1252 1.223,1253 0.469,1254 1.267,1255 3.714,1257 5.056,1259 6.586,1261 8.199,1263 9.854,1265 11.261,1271 4.143,1272 3.417,1277 0.217,1280 25.364,1281 53.435,1282 124.337,1283 182.339,1284 182.339,1285 182.339,1286 182.339,1287 28.175,1288 6.125,1289 24.39,1290 24.39,1291 12,1292 12.059,1293 3,1294 2.322,1295 33.617,1296 54,1297 51,1298 0.318,1299 160.932,1300 278.48,1301 384.435,1302 2838,1304 14.044,1305 0.739,1306 0.681,1307 14.044,1308 12.93,1309 8.876,1310 0.444,1311 0.363,1312 7.217,1313 8.735,1314 6.742,1315 5.748,1316 8.876,1317 7.255,1318 8.893,1319 0.307,1320 0.228,1321 8.893,1322 6.624,1323 6.329,1324 0.186,1325 0.114,1326 6.329,1327 3.873,1328 4.884,1329 0.119,1330 0.063,1331 4.884,1332 2.573,1333 4.133,1334 0.079,1335 0.037,1336 4.133,1337 1.949,1338 0.482,1339 54.164,1340 0.284,1341 18.831,1342 0.915,1343 98,1344 181.978,1345 101.497,1346 186.851,1347 263.03,1348 176,1349 112,1350 197.803,1351 115.331,1352 209.521,1353 299.26,1354 194,1355 7.481} {0 CHEMBL361729,1 1.177,2 10.16,3 5.839,4 34.09,5 107.725,6 6.083,7 0.444,8 4.044,9 4.185,10 3.445,11 3.626,12 4.966,13 3.547,14 4.618,15 4.838,16 3.811,17 4.035,18 5.431,19 3.935,20 4.845,21 5.054,22 3.832,23 4.227,24 5.669,25 4.081,26 5.072,27 5.35,28 3.781,29 4.271,30 5.759,31 4.08,32 5.054,33 5.344,34 3.834,35 4.23,36 5.758,37 4.057,38 4.98,39 5.235,40 3.697,41 4.207,42 5.749,43 4.027,44 5.072,45 5.394,46 3.4,47 4.123,48 5.649,49 3.863,50 4.84,51 5.195,52 3.353,53 3.836,54 5.422,55 3.617,56 0.064,57 0.752,58 13.241,59 5.583,60 9.952,61 8.071,62 0.169,63 1.259,64 23.294,65 9.19,66 17.303,67 13.507,68 0.166,69 1.561,70 29.131,71 11.867,72 24.3,73 17.338,74 0.193,75 1.798,76 35.48,77 14.532,78 27.308,79 21.255,80 0.199,81 1.763,82 34.847,83 13.828,84 30.081,85 20.443,86 0.239,87 1.714,88 33.147,89 12.308,90 30.454,91 18.511,92 0.175,93 1.67,94 34.578,95 14.621,96 26.341,97 21.209,98 0.155,99 1.295,100 27.228,101 10.903,102 24.244,103 16.099,104 27,105 39,106 0.196,107 0.474,108 0.693,109 0.735,110 0.743,111 0.743,112 3.267,113 1.03,114 -6.19,115 -6.03,116 -5.6,119 41.8,120 5,121 1,123 1,125 3,140 7,141 5,156 1,169 19,171 1,172 3,178 26,182 4,189 22,193 7,199 14,203 11,211 13,215 4,222 9,226 3,233 11,237 6,244 14,256 13,259 881,260 16.264,261 16.264,262 16.264,263 16.264,264 16.264,265 14.463,266 21.716,267 9.484,268 16.432,269 13.34,270 13.34,271 13.34,272 13.34,273 13.34,274 10.69,275 28.234,276 4.533,277 13.62,278 4.605,279 2.94,280 1.622,281 1.374,282 1.324,283 1.324,284 3.941,289 1,290 535,291 3.391,294 73.547,295 164.759,302 1.552,303 9.988,306 0.75,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.94,314 51,315 254,316 4.541,317 3.577,318 7.128,319 4.346,320 3.346,321 4.144,322 1.551,323 11.758,324 3.345,325 4.216,326 3.452,327 6.433,328 3.971,329 2.999,330 3.5,331 0.774,332 9.877,333 2.938,334 4.041,335 3.064,336 6.126,337 3.749,338 2.787,339 3.42,340 0.36,341 8.961,342 2.664,343 3.826,344 2.678,345 5.32,346 3.409,347 2.424,348 3.198,349 0.141,350 6.877,351 2.377,352 3.232,353 2.147,354 4.879,355 2.879,356 1.879,357 2.481,359 5.225,360 1.879,361 2.97,362 1.948,363 4.691,364 2.648,365 1.659,366 2.117,368 4.965,369 1.641,370 2.908,371 1.682,372 4.29,373 2.497,374 1.51,375 2.028,377 3.899,378 1.49,379 2.546,380 1.473,381 3.607,382 2.22,383 1.252,384 1.5,386 2.988,387 1.21,388 2.5,389 1.378,390 3.471,391 2.04,392 1.102,393 1.496,395 2.465,396 1.03,397 2.162,398 1,399 3.33,400 2,401 1,402 1.15,404 2.136,405 1,406 1.641,407 0.937,408 3.247,409 1.431,410 0.448,411 0.504,413 1.183,414 0.44,415 1.107,416 0.243,417 2.744,418 0.872,419 -0.09,420 -0.102,422 -0.23,423 -0.086,424 1,425 -0.11,426 2.686,427 0.653,428 -0.347,429 -0.445,431 -0.898,432 -0.347,433 0.656,434 -0.208,435 2.653,436 0.377,437 -0.61,438 -0.704,440 -1.516,441 -0.602,442 0.5,443 -0.634,444 2.152,446 -1,447 -1,449 -2.347,450 -0.966,451 12.3,452 0.492,453 0.83,454 0.033,455 28.25,456 1.13,457 13.5,458 0.54,459 14.75,460 0.59,461 26.455,462 1.058,463 27.3,464 0.496,465 18.242,466 0.73,467 5.284,468 0.211,469 6.558,470 0.262,471 0.203,472 0.041,473 0.276,479 0.939,480 1.313,481 1.014,482 1.158,483 1.191,484 1.102,485 1.235,486 0.908,487 0.884,488 0.841,489 0.805,490 0.844,491 1.38,492 1.274,493 1.302,494 1.277,495 1.349,496 1.284,497 0.908,498 1.096,499 1.019,500 1.07,501 0.945,502 1.054,503 0.868,504 1.042,505 0.843,506 0.927,507 0.647,508 0.892,509 1.994,510 1.134,511 1.358,512 1.161,513 1.712,514 1.215,515 0.612,516 0.964,517 0.945,518 1.005,519 0.831,520 0.995,521 0.552,522 0.654,523 0.519,524 0.574,525 0.402,526 0.55,527 6.5,528 0.14,529 3.111,530 1.757,531 1.786,532 0.813,533 0.413,534 0.429,535 0.29,536 0.194,537 6842,538 11989,539 2.005,540 54.5,541 15,542 13,546 2,550 1.68,551 1.84,552 3.28,553 -0.909,559 64.726,560 1.177,561 2.841,562 4.16,563 4.408,564 4.458,565 4.458,566 2.744,567 3.863,568 4.615,569 3.477,570 1043.07,571 7.984,572 12598,577 317.975,578 1.673,579 4.546,580 0.241,581 0.013,582 0.08,583 0.047,584 0.053,585 0.022,586 0.014,587 0.02,588 0.013,589 0.009,590 0.511,591 0.5,592 0.88,593 0.836,594 120.463,595 0.115,596 -0.121,597 0.06,598 -0.029,599 -0.136,600 0.005,601 0.148,602 0.21,603 0.167,604 0.189,605 0.193,606 0.18,607 -0.214,608 -0.167,609 -0.266,610 -0.23,611 -0.288,612 -0.247,613 0.018,614 -0.113,615 -0.038,616 -0.08,617 -0.039,618 -0.065,619 0.171,620 -0.067,621 0.141,622 0.044,623 0.286,624 0.082,625 -0.387,626 -0.054,627 -0.324,628 -0.195,629 -0.431,630 -0.245,631 0.043,632 -0.071,633 -0.008,634 -0.044,635 0.007,636 -0.032,637 0.296,638 0.211,639 0.416,640 0.344,641 0.473,642 0.379,643 1.057,644 1.805,645 0.68,646 21.267,647 0.974,648 1.124,649 4.957,650 24.568,651 0.649,652 3.332,653 3.689,654 3.892,655 4.111,656 4.304,657 4.317,658 4.394,659 4.407,660 4.466,661 4.466,662 6.07,663 0.589,664 334.55,665 3.332,666 4.89,667 5.727,668 6.613,669 7.473,670 8.358,671 9.227,672 10.112,673 10.986,674 11.871,675 3.6,678 1,684 1,688 7,693 5,695 12,714 55,716 13,717 2,718 27,720 57,721 23,722 12,723 5,724 7,730 3,731 3,736 5,737 1,743 1,745 13,746 10,750 1,758 1,759 1,764 30,765 2,767 2,773 2,774 1,777 1,792 1,793 2,815 1,819 3,823 5,827 25,833 4,838 1,839 1,854 13.583,855 11.483,856 5.333,857 3.407,858 2.459,859 1.35,860 0.951,861 5.105,862 9.489,863 3.555,864 4.143,865 4.625,866 5.11,867 5.584,868 5.651,869 5.857,870 6.005,871 6.243,872 6.374,873 0.857,874 37,875 9.265,877 3.781,878 7.35,879 18.578,881 15.357,883 1.85,884 46.25,885 0.001,888 353.133,889 137.567,890 19.91,895 137.567,896 353.133,897 19.91,898 44.126,899 8.852,900 66.334,901 2.328,902 35.838,904 353.133,906 353.133,907 157.477,911 353.133,915 72.888,916 84.59,919 353.133,920 19.91,921 137.567,924 353.133,925 27.107,926 113.584,928 16.786,929 353.133,930 19.91,931 137.567,933 0.595,934 0.332,935 0.169,936 0.094,937 19,938 9,939 0.088,940 5,942 1,943 3.623,944 204.071,946 17,947 101.342,951 17.887,952 7.135,953 4.192,955 19.91,956 15.42,961 6.986,964 510.61,965 34,973 4.805,974 1.235,975 53.574,976 61.809,977 0.204,978 0.491,979 0.719,980 0.762,981 0.771,982 0.771,983 4.82,984 1.252,985 5.765,986 3.899,987 4.369,988 4.828,989 1.893,990 6.613,991 4.332,992 6.049,993 1.102,994 7.361,995 2.988,996 4.205,997 4.705,998 1.048,999 7.789,1000 4.163,1001 7.375,1002 1,1003 9.069,1004 2.465,1005 6.057,1006 6.973,1007 2.26,1008 10.788,1009 5.99,1010 8.735,1011 0.448,1012 10.845,1013 2.136,1014 6.673,1015 7.589,1016 2.045,1017 12.743,1018 6.605,1019 10.124,1020 -0.09,1021 12.663,1022 1.183,1023 8.074,1024 9.397,1025 2.882,1026 15.342,1027 7.991,1028 11.534,1029 -0.347,1030 14.51,1031 -0.23,1032 9.012,1033 10.36,1034 2.986,1035 17.586,1036 8.93,1037 12.958,1038 -0.61,1039 16.379,1040 -0.898,1041 10.258,1042 11.967,1043 3.635,1044 20.067,1045 10.168,1046 3.346,1047 -1,1048 18.263,1049 -1.516,1050 11.331,1051 13.116,1052 3.9,1053 22.427,1054 11.244,1055 2.999,1056 11.758,1057 20.158,1058 -2.347,1059 12.525,1060 14.624,1061 4.451,1062 24.876,1063 12.436,1064 2.787,1065 9.877,1066 22.064,1067 4.144,1068 13.657,1069 15.882,1070 4.799,1071 27.285,1072 13.572,1073 2.424,1074 8.961,1075 23.977,1076 3.5,1077 14.838,1078 17.34,1079 5.299,1080 29.729,1081 14.754,1082 1.879,1083 6.877,1084 25.896,1085 3.42,1086 15.997,1087 18.661,1088 5.689,1089 32.162,1090 15.918,1091 1.659,1092 5.225,1093 27.821,1094 3.198,1095 17.177,1096 20.095,1097 6.161,1098 34.609,1099 17.101,1100 1.51,1101 4.965,1102 29.75,1103 2.481,1104 18.351,1105 21.455,1106 6.574,1107 37.053,1108 18.279,1109 6737,1110 9024,1111 17.394,1112 35.671,1113 41.459,1114 41.309,1115 41.488,1116 40.788,1117 40.814,1118 51.074,1119 5.652,1120 120.664,1121 40.03,1122 5.447,1123 5.577,1124 6.93,1125 5.372,1126 5.346,1127 7.144,1128 2.696,1129 18.827,1130 5.345,1131 13.996,1132 1.536,1133 1.53,1134 1.537,1135 1.511,1136 1.512,1137 1.892,1138 0.209,1139 4.469,1140 1.483,1141 4.04,1142 4.075,1143 3.977,1144 3.981,1145 4.802,1146 3.975,1147 3.921,1148 3.957,1149 3.849,1150 3.853,1151 4.721,1152 3.847,1153 3.761,1154 3.819,1155 3.674,1156 3.606,1157 4.612,1158 3.613,1159 3.607,1160 3.669,1161 3.463,1162 3.482,1163 4.237,1164 3.473,1165 3.266,1166 3.35,1167 3.067,1168 3.125,1169 3.966,1170 3.101,1171 3.117,1172 3.192,1173 2.963,1174 2.976,1175 3.8,1176 2.963,1177 3.073,1178 3.155,1179 2.874,1180 2.933,1181 3.674,1182 2.909,1183 2.932,1184 3.037,1185 2.687,1186 2.741,1187 3.634,1188 2.715,1189 0.168,1190 0.132,1191 0.264,1192 0.161,1193 0.124,1194 4.541,1195 0.153,1196 3.577,1197 0.057,1198 7.128,1199 0.435,1200 4.346,1201 0.124,1202 3.346,1203 4.144,1204 1.551,1205 11.758,1206 3.345,1207 2.005,1208 1.981,1209 2.122,1210 2.076,1211 1.351,1212 2.093,1213 1.911,1214 1.88,1215 2.041,1216 2,1217 1.189,1218 2.015,1219 1.672,1220 1.617,1221 1.905,1222 1.821,1223 1.111,1224 1.852,1225 1.472,1226 1.395,1227 1.735,1228 1.691,1229 1.002,1230 1.711,1231 1.414,1232 1.346,1233 1.639,1234 1.629,1235 0.788,1236 1.629,1237 1.303,1238 1.226,1239 1.615,1240 1.507,1241 0.719,1242 1.557,1243 1.068,1244 1,1245 1.417,1246 1.256,1247 0.598,1248 1.308,1249 0.977,1250 0.881,1251 1.417,1252 1.239,1253 0.469,1254 1.308,1255 4.007,1257 5.352,1258 2.398,1259 6.874,1260 4.595,1261 8.477,1262 6.555,1263 10.123,1265 11.333,1271 3.843,1276 2.436,1277 0.193,1280 32.418,1281 64.726,1282 156.265,1283 228.774,1284 242.426,1285 245.181,1286 245.181,1287 35.992,1288 7.03,1289 15.6,1290 15.6,1291 17,1292 12.405,1293 3.807,1294 3,1295 41.767,1296 91,1297 88,1298 0.227,1299 202.311,1300 351.1,1301 485.399,1302 10272,1304 18.027,1305 0.721,1306 0.651,1307 18.027,1308 16.264,1309 11.842,1310 0.439,1311 0.343,1312 9.225,1313 11.677,1314 8.683,1315 7.35,1316 11.842,1317 9.272,1318 11.579,1319 0.297,1320 0.211,1321 11.579,1322 8.22,1323 8.751,1324 0.182,1325 0.107,1326 8.751,1327 5.142,1328 7.011,1329 0.117,1330 0.059,1331 7.011,1332 3.534,1333 5.592,1334 0.077,1335 0.034,1336 5.592,1337 2.509,1338 0.355,1339 72.083,1340 0.24,1341 24.213,1342 0.63,1343 132,1344 253.29,1345 136.191,1346 260.465,1347 369.02,1348 246,1349 153,1350 278.93,1351 157.857,1352 294.679,1353 423.89,1354 274,1355 7.523} {0 CHEMBL362992,1 1.443,2 14.161,3 3.52,4 12.392,5 122.49,6 7.131,7 0.629,8 4.159,9 4.284,10 3.712,11 3.706,12 5.177,13 3.68,14 4.72,15 4.913,16 4.046,17 4.097,18 5.667,19 4.053,20 4.959,21 5.173,22 4.1,23 4.268,24 5.843,25 4.183,26 5.047,27 5.291,28 3.977,29 4.255,30 5.852,31 4.121,32 5.057,33 5.335,34 3.851,35 4.163,36 5.809,37 4.021,38 4.894,39 5.145,40 3.769,41 4.078,42 5.663,43 3.937,44 4.88,45 5.15,46 3.709,47 4.025,48 5.64,49 3.884,50 4.783,51 5.05,52 3.611,53 3.949,54 5.543,55 3.801,56 0.032,57 0.878,58 12.449,59 5.185,60 8.468,61 7.139,62 0.254,63 1.451,64 24.139,65 8.187,66 22.853,67 11.655,68 0.358,69 1.745,70 31.4,71 11.241,72 29.145,73 15.943,74 0.271,75 1.785,76 35.05,77 13.4,78 30.99,79 19.163,80 0.434,81 1.74,82 37.24,83 12.782,84 37.786,85 18.509,86 0.297,87 1.529,88 30.449,89 11.12,90 27.135,91 16.059,92 0.314,93 1.522,94 30.539,95 10.409,96 29.129,97 15.362,98 0.292,99 1.384,100 27.523,101 9.738,102 25.893,103 14.255,104 2,105 48,106 0.233,107 0.531,108 0.724,109 0.822,110 0.855,111 0.861,112 3.471,113 0.932,114 -3.44,115 -3.42,116 -3.27,119 43.1,120 1,125 7,140 8,141 3,142 1,143 1,144 3,146 1,169 8,171 1,172 10,178 9,181 2,182 9,189 6,192 1,193 7,199 5,202 2,203 5,211 2,214 1,215 5,222 1,225 1,226 3,236 2,237 4,249 5,259 1596,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 18.986,266 20.284,267 12.918,268 22.139,269 17.329,270 17.329,271 17.329,272 17.329,273 17.329,274 13.509,275 26.522,276 6.155,277 18.201,278 4.415,279 2.57,280 1.379,281 0.772,282 0.565,283 0.53,284 4.189,288 1,289 1,290 985,291 2.915,295 441.011,299 293.99,302 2.21,303 16.695,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 439,316 4.516,317 3.192,318 6.517,319 4.03,320 3.054,321 4.458,322 0.916,323 10.248,324 2.998,325 4.497,326 3.179,327 6.515,328 4.026,329 3.046,330 4.431,331 0.86,332 10.241,333 2.968,334 3.722,335 2.928,336 5.537,337 3.57,338 2.646,339 3.17,340 0.8,341 7.499,342 2.441,343 3.69,344 2.639,345 5.326,346 3.293,347 2.349,348 2.948,349 0.172,350 6.749,351 2.219,352 3.479,353 2.556,354 5.269,355 3.194,356 2.259,357 2.636,359 6.653,360 2.113,361 3.296,362 2.158,363 4.968,364 2.884,365 1.934,366 2.594,368 5.675,369 1.83,370 3.118,371 2.081,372 4.813,373 2.829,374 1.875,375 2.427,377 5.291,378 1.779,379 3.109,380 1.618,381 4.196,382 2.585,383 1.618,384 2.221,386 3.818,387 1.566,388 2.99,389 1.602,390 4.142,391 2.512,392 1.524,393 2.139,395 3.768,396 1.504,397 2.766,398 1.466,399 3.594,400 2.216,401 1.273,402 1.897,404 2.834,405 1.196,406 2.493,407 1.278,408 3.527,409 2.161,410 1.23,411 1.491,413 2.715,414 1.134,415 2.342,416 1.146,417 3.414,418 1.967,419 1,420 1.278,422 2.275,423 0.965,424 2.132,425 1.027,426 3.356,427 1.88,428 0.922,429 1.071,431 2.15,432 0.88,433 2,434 0.953,435 3.291,436 1.81,437 0.849,438 1,440 1.964,441 0.812,442 1.418,443 0.477,444 2.899,445 1.186,446 0.246,447 0.276,449 0.6,450 0.23,451 14.833,452 0.478,453 0.585,454 0.019,455 41.5,456 1.339,457 20.5,458 0.661,459 21,460 0.677,461 25.378,462 0.819,463 32.567,464 0.561,465 28.763,466 0.928,467 8.246,468 0.266,469 7.013,470 0.226,471 0.034,473 0.29,479 0.872,480 1.448,481 0.8,482 1.153,483 0.76,484 0.999,485 1.441,486 1.018,487 0.979,488 0.865,489 0.963,490 0.862,491 1.253,492 0.986,493 1.078,494 0.994,495 0.993,496 1.012,497 0.872,498 1.152,499 1.018,500 1.186,501 0.796,502 1.136,503 1.249,504 0.817,505 0.997,506 0.875,507 1.137,508 0.909,509 1.018,510 1.099,511 1.073,512 1.109,513 1.023,514 1.107,515 1.1,516 0.987,517 1.074,518 0.989,519 1.175,520 1.02,521 0.951,522 0.941,523 1.08,524 1.02,525 1.079,526 1.055,527 5,528 0.115,529 3.111,530 1.563,531 1.444,532 0.625,533 0.443,534 0.3,535 0.208,536 0.145,537 16325,538 37125,539 2.2,540 46.6,542 22,544 2,546 3,550 1.728,551 2.138,552 3.73,553 -0.799,555 1,559 83.675,560 1.443,561 3.288,562 4.479,563 5.086,564 5.293,565 5.328,566 3.168,567 4.672,568 4.931,569 3.949,570 1836.2,571 8.561,572 28061.9,574 1,577 339.763,578 1.058,579 4.918,580 0.143,581 0.005,582 0.065,583 0.032,584 0.035,585 0.017,586 0.013,587 0.01,588 0.007,589 0.006,590 0.334,591 0.5,592 0.88,593 0.32,594 165.474,595 0.033,596 -0.284,597 0.089,598 -0.113,599 0.083,600 -0.024,601 -0.155,602 0.11,603 -0.008,604 0.093,605 0.03,606 0.068,607 -0.074,608 0.064,609 -0.105,610 -0.014,611 -0.003,612 -0.053,613 0.067,614 -0.207,615 -0.046,616 -0.176,617 0.112,618 -0.133,619 -0.057,620 0.107,621 0.026,622 0.092,623 -0.097,624 0.07,625 -0.008,626 -0.148,627 -0.088,628 -0.117,629 -0.118,630 -0.116,631 -0.09,632 -0.017,633 -0.074,634 -0.029,635 -0.189,636 -0.047,637 -0.028,638 0.028,639 -0.091,640 -0.049,641 -0.156,642 -0.073,643 0.812,644 2.623,645 0.839,646 33.178,647 0.992,648 1.125,649 2.213,650 4.897,651 0.67,652 3.584,653 3.892,654 4.174,655 4.443,656 4.691,657 4.682,658 4.762,659 4.875,660 4.97,661 4.942,662 8.345,663 0.631,664 413.57,665 3.584,666 5.118,667 5.969,668 6.838,669 7.701,670 8.574,671 9.441,672 10.315,673 11.182,674 12.057,675 8.6,678 2,685 3,687 4,688 10,689 3,693 3,695 22,712 1,714 58,716 22,717 2,718 35,720 62,721 25,722 17,723 6,724 6,730 5,731 7,736 1,745 17,746 8,761 1,764 27,765 6,767 6,773 5,777 0.6,778 1,786 1,787 1,793 5,797 2,815 2,819 3,823 1,827 31,833 7,835 1,838 2,847 1.7,852 1,854 14.5,855 10.75,856 6.778,857 3.589,858 4.432,859 1.536,860 1.016,861 5.857,862 12.702,863 3.85,864 4.466,865 5.091,866 5.705,867 6.288,868 6.51,869 6.834,870 7.168,871 7.469,872 7.109,873 1,874 49,875 11.453,877 4.813,878 7.457,879 22.597,881 18.795,883 1.957,884 60.667,887 1,888 317.82,889 140.148,890 56.605,892 11,895 140.148,896 328.82,897 56.605,898 8.825,899 17.227,900 75.81,901 73.899,902 55.534,904 294.278,906 317.82,907 196.753,908 11,911 317.82,912 11,915 57.011,916 89.385,917 50.357,919 317.82,920 67.605,921 140.148,924 317.82,925 37.847,926 108.55,928 61.356,929 317.82,930 67.605,931 140.148,933 0.575,934 0.338,935 0.19,936 0.106,937 24,938 9,939 0.097,940 6,941 2,942 1.154,943 4.482,944 275.56,945 0.154,946 26,947 145.58,951 20.019,952 9.07,953 4.57,954 4.24,955 67.605,956 20.085,957 13.17,961 3.245,964 525.573,965 46,975 57.556,976 65.268,977 0.246,978 0.561,979 0.765,980 0.868,981 0.904,982 0.909,983 5.072,984 1.618,985 5.927,986 5.291,987 4.575,988 5.153,989 1.598,990 6.708,991 4.485,992 6.26,993 1.524,994 7.459,995 3.818,996 4.007,997 4.902,998 0.57,999 7.535,1000 3.887,1001 7.556,1002 1.273,1003 9.091,1004 3.768,1005 6.133,1006 7.402,1007 1.256,1008 10.641,1009 5.969,1010 8.889,1011 1.23,1012 10.786,1013 2.834,1014 6.415,1015 8.056,1016 0.581,1017 12.342,1018 6.235,1019 10.259,1020 1,1021 12.522,1022 2.715,1023 7.966,1024 9.995,1025 1.023,1026 14.944,1027 7.747,1028 11.657,1029 0.922,1030 14.287,1031 2.275,1032 8.668,1033 11.095,1034 0.515,1035 17.009,1036 8.441,1037 13.076,1038 0.849,1039 16.075,1040 2.15,1041 9.965,1042 12.788,1043 0.84,1044 19.437,1045 9.707,1046 3.054,1047 0.246,1048 17.879,1049 1.964,1050 10.877,1051 14.101,1052 0.441,1053 21.654,1054 10.612,1055 3.046,1056 10.248,1057 19.697,1058 0.6,1059 12.063,1060 15.683,1061 0.689,1062 24.02,1063 11.772,1064 2.646,1065 10.241,1066 21.524,1067 4.458,1068 13.078,1069 17.095,1070 0.373,1071 26.3,1072 12.777,1073 2.349,1074 7.499,1075 23.361,1076 4.431,1077 14.216,1078 18.627,1079 0.564,1080 28.641,1081 13.894,1082 2.259,1083 6.749,1084 25.204,1085 3.17,1086 15.28,1087 20.083,1088 0.314,1089 30.948,1090 14.945,1091 1.934,1092 6.653,1093 27.052,1094 2.948,1095 16.4,1096 21.592,1097 0.461,1098 33.28,1099 16.045,1100 1.875,1101 5.675,1102 28.906,1103 2.636,1104 17.488,1105 23.068,1106 0.264,1107 35.598,1108 17.118,1109 14830,1110 22501,1111 24.444,1112 38.858,1113 51.706,1114 51.995,1115 52.442,1116 51.656,1117 51.649,1118 68.073,1119 5.498,1120 144.958,1121 49.272,1122 5.516,1123 5.192,1124 6.206,1125 5.104,1126 5.054,1127 7.458,1128 1.776,1129 17.083,1130 4.998,1131 7.848,1132 1.477,1133 1.486,1134 1.498,1135 1.476,1136 1.476,1137 1.945,1138 0.157,1139 4.142,1140 1.408,1141 4.091,1142 4.123,1143 4.05,1144 4.009,1145 5.077,1146 4.015,1147 4.05,1148 4.078,1149 4.013,1150 3.973,1151 5.011,1152 3.979,1153 3.829,1154 3.902,1155 3.716,1156 3.628,1157 4.581,1158 3.639,1159 3.548,1160 3.597,1161 3.449,1162 3.428,1163 4.481,1164 3.424,1165 3.454,1166 3.522,1167 3.351,1168 3.265,1169 4.343,1170 3.278,1171 3.373,1172 3.437,1173 3.248,1174 3.197,1175 4.225,1176 3.201,1177 3.158,1178 3.223,1179 3.034,1180 3.006,1181 4.021,1182 3.002,1183 3.111,1184 3.206,1185 2.917,1186 2.942,1187 3.878,1188 2.924,1189 0.129,1190 0.091,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.192,1197 0.026,1198 6.517,1199 0.293,1200 4.03,1201 0.086,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.998,1207 2.032,1208 2.011,1209 2.109,1210 2.133,1211 1.351,1212 2.127,1213 2.025,1214 1.997,1215 2.104,1216 2.122,1217 1.225,1218 2.118,1219 1.775,1220 1.703,1221 1.976,1222 1.998,1223 1.205,1224 1.997,1225 1.535,1226 1.49,1227 1.745,1228 1.711,1229 0.966,1230 1.72,1231 1.419,1232 1.351,1233 1.676,1234 1.629,1235 0.825,1236 1.649,1237 1.339,1238 1.278,1239 1.521,1240 1.542,1241 0.804,1242 1.546,1243 1.153,1244 1.088,1245 1.513,1246 1.376,1247 0.658,1248 1.429,1249 1.149,1250 1.064,1251 1.425,1252 1.354,1253 0.479,1254 1.377,1255 4.263,1257 5.572,1259 7.089,1261 8.702,1263 10.363,1265 2.015,1271 6.793,1273 6.123,1276 4.994,1280 36.617,1281 83.675,1282 190.692,1283 259.789,1284 295.008,1285 307.008,1286 309.008,1287 37.112,1288 8.27,1289 54.38,1290 54.38,1291 30,1292 12.598,1293 4.524,1294 3.585,1295 44.097,1296 160,1297 133,1298 0.132,1299 222.306,1300 373.05,1301 534.186,1302 58022,1304 21.045,1305 0.679,1306 0.576,1307 21.045,1308 17.868,1309 15.259,1310 0.436,1311 0.311,1312 10.731,1313 14.711,1314 10.466,1315 8.628,1316 15.259,1317 10.877,1318 13.486,1319 0.281,1320 0.169,1321 13.486,1322 8.114,1323 11.572,1324 0.181,1325 0.094,1326 11.572,1327 5.996,1328 9.906,1329 0.118,1330 0.051,1331 9.906,1332 4.253,1333 8.393,1334 0.078,1335 0.029,1336 8.393,1337 3.079,1338 0.217,1339 95.05,1340 0.202,1341 29.911,1342 0.337,1343 166,1344 421.961,1345 178.924,1346 412.158,1347 579.91,1348 392,1349 195,1350 435.074,1351 209.256,1352 443.564,1353 648.91,1354 418,1355 8.6} {0 CHEMBL363413,1 1.553,2 13.448,3 5.291,4 27.993,5 119.325,6 7.971,7 0.531,8 4.078,9 4.193,10 3.714,11 3.661,12 5.077,13 3.618,14 4.646,15 4.83,16 4.09,17 4.057,18 5.6,19 3.994,20 4.905,21 5.112,22 4.166,23 4.228,24 5.819,25 4.119,26 4.972,27 5.209,28 4.023,29 4.192,30 5.795,31 4.035,32 4.943,33 5.206,34 4.034,35 4.098,36 5.741,37 3.94,38 4.806,39 5.047,40 3.856,41 4.026,42 5.619,43 3.866,44 4.751,45 4.993,46 3.759,47 3.96,48 5.572,49 3.79,50 4.628,51 4.874,52 3.618,53 3.85,54 5.412,55 3.689,56 0.009,57 0.751,58 10.478,59 4.952,60 5.813,61 6.623,62 0.189,63 1.26,64 22.562,65 8.196,66 19.808,67 11.044,68 0.38,69 1.525,70 34.065,71 11.423,72 32.983,73 15.249,74 0.348,75 1.519,76 40.032,77 13.544,78 35.009,79 18.281,80 0.454,81 1.455,82 42.846,83 12.862,84 40.776,85 17.312,86 0.335,87 1.293,88 34.162,89 11.194,90 30.951,91 15.056,92 0.375,93 1.201,94 36.582,95 10.774,96 33.699,97 14.404,98 0.249,99 1.099,100 28.615,101 9.443,102 24.227,103 12.936,104 10,105 44,106 0.257,107 0.539,108 0.715,109 0.829,110 0.859,111 0.859,112 3.407,113 1.005,114 -4.88,115 -4.78,116 -4.49,119 42.6,120 1,125 7,140 8,141 2,142 3,144 2,169 6,172 7,178 11,181 2,182 5,189 10,192 1,193 5,199 5,203 5,211 3,214 1,215 4,222 1,225 1,226 4,237 5,249 4,259 1349,260 19.67,261 19.67,262 19.67,263 19.67,264 19.67,265 17.53,266 22.142,267 11.655,268 20.341,269 15.809,270 15.809,271 15.809,272 15.809,273 15.809,274 12.675,275 27.147,276 5.573,277 16.988,278 4.202,279 2.502,280 1.444,281 0.755,282 0.57,283 0.57,284 4.107,285 2,288 1,289 1,290 851,291 2.915,295 366.923,299 141.279,302 2.126,303 18.797,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.167,315 390,316 4.516,317 3.294,318 6.517,319 4.026,320 3.054,321 4.458,322 0.916,323 10.248,324 2.968,325 4.243,326 3.185,327 6.101,328 3.834,329 2.898,330 3.884,331 0.86,332 8.915,333 2.686,334 3.719,335 2.959,336 5.471,337 3.529,338 2.611,339 3.17,340 0.8,341 7.307,342 2.388,343 3.645,344 2.771,345 5.322,346 3.289,347 2.344,348 2.785,349 0.172,350 6.719,351 2.217,352 3.442,353 2.631,354 5.119,355 3.105,356 2.202,357 2.639,359 6.333,360 1.974,361 3.299,362 2.541,363 4.909,364 2.894,365 2.039,366 2.609,368 5.612,369 1.802,370 3.177,371 2.149,372 4.813,373 2.841,374 1.887,375 2.238,377 5.292,378 1.644,379 2.991,380 1.815,381 4.197,382 2.512,383 1.525,384 2.204,386 3.823,387 1.504,388 2.79,389 1.598,390 4.166,391 2.384,392 1.43,393 1.883,395 3.755,396 1.312,397 2.49,398 1.462,399 3.526,400 2.15,401 1.22,402 1.487,404 2.708,405 1.124,406 2.138,407 1.146,408 3.414,409 1.967,410 1,411 1.081,413 2.275,414 0.965,415 2,416 0.966,417 3.314,418 1.834,419 0.866,420 1,422 2,423 0.835,424 1.554,425 0.878,426 3.015,427 1.264,428 0.36,429 0.412,431 0.856,432 0.3,433 1.302,434 0.499,435 2.699,436 0.984,437 0.116,438 0.131,440 0.268,441 0.089,442 1.151,443 0.225,444 2.448,445 0.743,446 -0.167,447 -0.191,449 -0.409,450 -0.135,451 14.462,452 0.499,453 0.677,454 0.023,455 35.5,456 1.224,457 16.5,458 0.569,459 19,460 0.655,461 26.594,462 0.917,463 31.138,464 0.577,465 23.955,466 0.826,467 7.026,468 0.242,469 7.055,470 0.243,471 0.133,473 0.297,479 0.732,480 1.414,481 0.595,482 1.007,483 0.641,484 0.947,485 1.179,486 1.089,487 0.702,488 0.792,489 0.708,490 0.831,491 1.215,492 0.967,493 0.967,494 0.936,495 0.991,496 0.995,497 0.905,498 1.103,499 0.968,500 1.129,501 0.89,502 1.107,503 1.006,504 0.907,505 0.727,506 0.857,507 0.865,508 0.888,509 1.086,510 1.031,511 1.009,512 1.016,513 1.09,514 1.049,515 1.166,516 0.988,517 1.297,518 1.141,519 1.301,520 1.118,521 0.853,522 1.082,523 0.969,524 1.091,525 0.94,526 1.083,527 6,528 0.128,529 3.111,530 1.563,531 1.582,532 0.646,533 0.524,534 0.323,535 0.197,536 0.155,537 12898,538 34996,539 2.111,540 46.3,542 22,546 3,550 1.711,551 2,552 3.673,553 -0.785,559 83.871,560 1.553,561 3.253,562 4.311,563 5,564 5.185,565 5.185,566 3.112,567 4.513,568 4.833,569 3.891,570 1579.88,571 8.368,572 22995,577 310.764,578 1.314,579 4.8,580 0.188,581 0.007,582 0.071,583 0.036,584 0.044,585 0.02,586 0.017,587 0.012,588 0.008,589 0.007,590 0.408,591 0.33,592 1,593 0.506,594 151.596,595 0.006,596 -0.241,597 0.031,598 -0.083,599 -0.004,600 -0.021,601 -0.144,602 0.057,603 0.027,604 0.104,605 0.064,606 0.073,607 -0.106,608 0.101,609 -0.087,610 -0.002,611 -0.033,612 -0.062,613 0.049,614 -0.154,615 -0.05,616 -0.148,617 0.029,618 -0.118,619 0.048,620 0.027,621 0.154,622 0.106,623 0.048,624 0.093,625 -0.059,626 -0.065,627 -0.065,628 -0.044,629 -0.138,630 -0.072,631 -0.089,632 -0.034,633 -0.178,634 -0.14,635 -0.216,636 -0.129,637 -0.014,638 -0.117,639 -0.075,640 -0.119,641 -0.103,642 -0.095,643 0.931,644 2.586,645 0.759,646 30.604,647 0.998,648 1.122,649 3.646,650 13.295,651 0.691,652 3.497,653 3.807,654 4.043,655 4.277,656 4.522,657 4.477,658 4.5,659 4.615,660 4.682,661 4.663,662 8.005,663 0.644,664 430.41,665 3.497,666 5.03,667 5.866,668 6.73,669 7.58,670 8.444,671 9.3,672 10.164,673 11.021,674 11.886,675 5.6,678 2,685 1,687 2,688 8,689 1,693 5,695 17,712 1,713 2,714 54,716 17,717 2,718 32,720 57,721 23,722 15,723 6,724 6,730 4,731 5,732 2,736 1,745 15,746 8,764 25,765 4,767 6,768 2,773 3,777 0.75,778 1,786 1,793 4,797 1,815 2,819 3,823 1,824 2,827 29,833 7,835 1,838 2,846 2,847 1.9,852 1,854 14.5,855 9.969,856 6.333,857 3.32,858 3.235,859 1.418,860 0.992,861 6.682,862 10.965,863 3.726,864 4.317,865 4.869,866 5.428,867 5.984,868 6.129,869 6.344,870 6.661,871 6.919,872 6.629,873 0.889,874 44,875 10.713,877 4.468,878 7.531,879 21.014,881 17.335,883 2.031,884 58.889,888 294.278,889 124.766,890 23.034,891 78.297,892 11,895 124.766,896 383.575,897 23.034,898 8.825,899 17.227,900 75.81,901 16.786,902 40.153,904 294.278,905 78.297,906 294.278,907 147.8,908 11,909 78.297,911 294.278,912 11,915 37.201,916 93.813,917 95.083,919 294.278,920 34.034,921 203.063,924 294.278,925 40.131,926 90.884,928 106.083,929 294.278,930 34.034,931 203.063,933 0.581,934 0.332,935 0.177,936 0.103,937 21,938 9,939 0.105,940 6,941 1,942 1.091,943 4.234,944 243.752,945 0.091,946 22,947 134.881,951 20.579,952 9.416,953 5.272,954 2.053,955 34.034,956 15.837,957 4.575,961 4.538,964 531.375,965 40.5,975 53.883,976 60.575,977 0.27,978 0.565,979 0.749,980 0.869,981 0.901,982 0.901,983 4.958,984 1.525,985 5.838,986 5.292,987 4.489,988 5.004,989 1.598,990 6.603,991 4.352,992 6.145,993 1.43,994 7.367,995 3.823,996 4.007,997 4.796,998 0.57,999 7.391,1000 3.741,1001 7.438,1002 1.22,1003 8.991,1004 3.755,1005 6.043,1006 7.196,1007 1.256,1008 10.458,1009 5.796,1010 8.764,1011 1,1012 10.671,1013 2.708,1014 6.347,1015 7.822,1016 0.581,1017 12.077,1018 5.994,1019 10.122,1020 0.866,1021 12.387,1022 2.275,1023 7.85,1024 9.715,1025 1.023,1026 14.658,1027 7.509,1028 11.504,1029 0.36,1030 14.129,1031 2,1032 8.542,1033 10.762,1034 0.515,1035 16.651,1036 8.123,1037 12.905,1038 0.116,1039 15.892,1040 0.856,1041 9.813,1042 12.431,1043 0.84,1044 19.057,1045 9.389,1046 3.054,1047 -0.167,1048 17.67,1049 0.268,1050 10.703,1051 13.696,1052 0.441,1053 21.223,1054 10.224,1055 2.898,1056 10.248,1057 19.461,1058 -0.409,1059 11.869,1060 15.262,1061 0.689,1062 23.565,1063 11.376,1064 2.611,1065 8.915,1066 21.264,1067 4.458,1068 12.862,1069 16.636,1070 0.373,1071 25.81,1072 12.325,1073 2.344,1074 7.307,1075 23.075,1076 3.884,1077 13.983,1078 18.155,1079 0.564,1080 28.131,1081 13.426,1082 2.202,1083 6.719,1084 24.895,1085 3.17,1086 15.026,1087 19.584,1088 0.314,1089 30.413,1090 14.435,1091 2.039,1092 6.333,1093 26.721,1094 2.785,1095 16.13,1096 21.082,1097 0.461,1098 32.728,1099 15.516,1100 1.887,1101 5.612,1102 28.553,1103 2.639,1104 17.2,1105 22.54,1106 0.264,1107 35.028,1108 16.556,1109 12090,1110 20068,1111 21.671,1112 37.324,1113 47.172,1114 48.263,1115 48.269,1116 47.33,1117 47.108,1118 59.961,1119 5.498,1120 132.223,1121 43.616,1122 5.516,1123 5.294,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 1.776,1129 17.078,1130 4.968,1131 12.807,1132 1.474,1133 1.508,1134 1.508,1135 1.479,1136 1.472,1137 1.874,1138 0.172,1139 4.132,1140 1.363,1141 4.076,1142 4.102,1143 4.094,1144 4,1145 5.025,1146 4.005,1147 3.952,1148 3.99,1149 4.031,1150 3.889,1151 4.996,1152 3.88,1153 3.798,1154 3.852,1155 3.722,1156 3.619,1157 4.667,1158 3.627,1159 3.544,1160 3.591,1161 3.63,1162 3.428,1163 4.581,1164 3.423,1165 3.421,1166 3.489,1167 3.447,1168 3.229,1169 4.362,1170 3.23,1171 3.146,1172 3.21,1173 3.285,1174 2.995,1175 4.228,1176 2.985,1177 3.111,1178 3.206,1179 3.035,1180 2.941,1181 3.962,1182 2.919,1183 3.073,1184 3.153,1185 2.91,1186 2.939,1187 3.878,1188 2.91,1189 0.141,1190 0.103,1191 0.204,1192 0.126,1193 0.095,1194 4.516,1195 0.139,1196 3.294,1197 0.029,1198 6.517,1199 0.32,1200 4.026,1201 0.093,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.913,1214 1.89,1215 2.027,1216 2.046,1217 1.221,1218 2.049,1219 1.758,1220 1.691,1221 1.918,1222 1.916,1223 1.129,1224 1.93,1225 1.534,1226 1.49,1227 1.744,1228 1.702,1229 0.954,1230 1.715,1231 1.399,1232 1.331,1233 1.668,1234 1.611,1235 0.825,1236 1.636,1237 1.153,1238 1.069,1239 1.513,1240 1.376,1241 0.804,1242 1.429,1243 1.132,1244 1.064,1245 1.425,1246 1.346,1247 0.628,1248 1.37,1249 1.103,1250 1.029,1251 1.408,1252 1.301,1253 0.479,1254 1.348,1255 4.174,1257 5.485,1259 6.989,1261 8.584,1263 10.224,1265 2.007,1266 12.41,1271 6.511,1273 6.086,1276 4.872,1280 34.756,1281 83.871,1282 175.667,1283 232.79,1284 270.009,1285 280.009,1286 280.009,1287 41.11,1288 7.73,1289 28.6,1290 28.6,1291 24,1292 12.434,1293 4.17,1294 3.248,1295 45.179,1296 143,1297 115,1298 0.152,1299 219.446,1300 375.41,1301 527.209,1302 28610,1303 3.7,1304 20.217,1305 0.697,1306 0.624,1307 21.217,1308 18.086,1309 14.081,1310 0.44,1311 0.335,1312 9.91,1313 13.072,1314 9.58,1315 7.867,1316 14.658,1317 10.718,1318 12.742,1319 0.29,1320 0.189,1321 13.521,1322 8.321,1323 10.473,1324 0.187,1325 0.107,1326 11.115,1327 5.967,1328 8.521,1329 0.12,1330 0.058,1331 8.975,1332 4.088,1333 7.295,1334 0.08,1335 0.034,1336 8.021,1337 3.105,1338 0.25,1339 93.375,1340 0.215,1341 28.308,1342 0.389,1343 152,1344 401.078,1345 192.799,1346 449.508,1347 600.05,1348 422,1349 176,1350 394.222,1351 208.395,1352 420.554,1353 614.5,1354 396,1355 8.4} {0 CHEMBL364056,1 1.434,2 15.65,3 5.063,4 25.638,5 157.14,6 7.116,7 0.533,8 4.407,9 4.53,10 3.95,11 3.971,12 5.449,13 3.94,14 4.967,15 5.151,16 4.33,17 4.384,18 5.94,19 4.337,20 5.222,21 5.425,22 4.437,23 4.573,24 6.188,25 4.497,26 5.346,27 5.569,28 4.426,29 4.623,30 6.301,31 4.528,32 5.372,33 5.588,34 4.385,35 4.64,36 6.308,37 4.527,38 5.404,39 5.657,40 4.312,41 4.609,42 6.255,43 4.476,44 5.336,45 5.588,46 4.226,47 4.513,48 6.203,49 4.377,50 5.246,51 5.505,52 4.174,53 4.397,54 6.18,55 4.284,56 0.047,57 1.094,58 16.027,59 6.897,60 12.708,61 9.354,62 0.31,63 1.834,64 30.625,65 11.386,66 29.772,67 15.906,68 0.373,69 2.304,70 40.194,71 14.985,72 39.921,73 21.098,74 0.42,75 2.469,76 46.9,77 17.59,78 58.712,79 24.469,80 0.457,81 2.479,82 48.093,83 18.716,84 62.565,85 25.676,86 0.523,87 2.533,88 51.033,89 19.133,90 58.188,91 27.212,92 0.507,93 2.338,94 47.876,95 18.072,96 58.106,97 25.508,98 0.42,99 2.154,100 44.219,101 15.367,102 65.613,103 21.957,104 27,105 65,106 0.219,107 0.547,108 0.738,109 0.809,110 0.832,111 0.832,112 3.717,113 0.929,114 -5.24,115 -5.13,116 -4.79,119 44,120 3,121 1,124 1,125 3,127 2,140 10,141 6,142 3,143 2,147 1,156 1,169 16,171 2,172 11,176 2,178 20,181 1,182 14,184 1,189 19,192 1,193 13,199 18,202 1,203 8,208 1,211 21,214 1,215 7,218 1,220 1,222 17,225 1,226 13,229 1,231 1,233 10,237 14,242 1,244 7,249 9,252 1,254 1,256 11,259 3262,260 27.264,261 27.264,262 27.264,263 27.264,264 27.264,265 24.397,266 29.739,267 15.757,268 27.81,269 22.151,270 22.151,271 22.151,272 22.151,273 22.151,274 17.677,275 45.789,276 7.4,277 22.936,278 4.795,279 2.655,280 1.403,281 0.94,282 0.787,283 0.787,284 4.431,289 1,290 1390,291 3.317,294 99.98,295 674.379,298 180.046,302 2.55,303 28.614,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 84.5,315 626,316 4.535,317 3.757,318 6.807,319 4.216,320 3.251,321 4.163,322 1.2,323 11.229,324 3.138,325 4.429,326 3.351,327 6.498,328 4.054,329 3.061,330 4.124,331 0.86,332 10.148,333 3.041,334 4.228,335 3.102,336 6.472,337 3.927,338 2.971,339 3.785,340 0.8,341 10.045,342 2.849,343 4.091,344 3.009,345 6.115,346 3.736,347 2.765,348 3.557,349 0.4,350 8.958,351 2.677,352 3.908,353 2.761,354 6.008,355 3.626,356 2.647,357 3.277,358 0.293,359 8.476,360 2.585,361 3.622,362 2.738,363 5.515,364 3.411,365 2.451,366 2.922,368 7.296,369 2.341,370 3.501,371 2.325,372 5.196,373 3.085,374 2.103,375 2.681,377 6.177,378 2.063,379 3.242,380 2.281,381 5.043,382 2.892,383 1.946,384 2.499,386 5.755,387 1.84,388 3.142,389 1.982,390 4.873,391 2.856,392 1.879,393 2.326,395 5.101,396 1.833,397 2.928,398 1.944,399 4.618,400 2.725,401 1.757,402 2.038,404 4.963,405 1.698,406 2.879,407 1.848,408 4.423,409 2.592,410 1.632,411 1.879,413 4.297,414 1.555,415 2.734,416 1.756,417 4.37,418 2.376,419 1.401,420 1.833,422 3.998,423 1.362,424 2.618,425 1.535,426 3.985,427 2.269,428 1.28,429 1.633,431 3.235,432 1.264,433 2.546,434 1.303,435 3.699,436 2.067,437 1.091,438 1.564,440 2.666,441 1.061,442 2.5,443 1.132,444 3.624,445 2,446 1,447 1.5,449 2.275,450 1,451 19.167,452 0.479,453 1.024,454 0.026,455 53.25,456 1.331,457 27,458 0.675,459 26.25,460 0.656,461 39.172,462 0.979,463 42.033,464 0.56,465 43.936,466 1.098,467 10.248,468 0.256,469 9.158,470 0.229,471 0.122,473 0.381,479 0.802,480 1.338,481 0.813,482 1.094,483 0.647,484 0.975,485 1.058,486 1.039,487 0.86,488 0.864,489 0.651,490 0.838,491 1.007,492 1.059,493 0.999,494 1.009,495 0.799,496 0.994,497 1.18,498 0.969,499 1.015,500 0.993,501 1.312,502 0.985,503 1.236,504 1.084,505 1.11,506 1.114,507 1.336,508 1.112,509 0.932,510 0.931,511 0.996,512 0.983,513 0.812,514 0.995,515 0.956,516 1.032,517 0.992,518 1.049,519 0.803,520 1.035,521 1.251,522 0.944,523 0.964,524 0.912,525 1.569,526 0.903,527 8,528 0.291,529 5.111,530 3.257,531 2.484,532 1.771,533 1.287,534 0.787,535 0.438,536 0.294,537 29178,538 65245,539 2.135,540 46.7,541 3,542 21,544 2,545 1,547 8,550 1.797,551 2,552 3.89,553 -0.442,559 107.562,560 1.434,561 3.574,562 4.825,563 5.288,564 5.442,565 5.442,566 3.378,567 4.872,568 5.292,569 4.107,570 3203.58,571 9.321,572 56215,577 467.161,578 1.406,579 5.255,580 0.178,581 0.007,582 0.079,583 0.047,584 0.037,585 0.028,586 0.022,587 0.015,588 0.009,589 0.007,590 0.426,591 0.17,592 0.75,593 0.641,594 227.527,595 0.007,596 -0.181,597 0.074,598 -0.056,599 -0.028,600 0.004,601 0.003,602 0.076,603 0.094,604 0.12,605 0.061,606 0.117,607 -0.021,608 0.024,609 -0.041,610 -0.027,611 0.039,612 -0.031,613 -0.08,614 0.043,615 -0.033,616 -0.003,617 -0.034,618 -0.008,619 -0.086,620 -0.105,621 -0.131,622 -0.104,623 -0.14,624 -0.123,625 0.019,626 0.034,627 -0.008,628 0.009,629 -0.01,630 0.001,631 0.074,632 -0.089,633 0.003,634 -0.052,635 0.113,636 -0.037,637 -0.077,638 0.03,639 0.054,640 0.051,641 0.002,642 0.069,643 1.642,644 6.729,645 0.825,646 53.178,647 0.992,648 1.122,649 4.006,650 16.046,651 0.671,652 3.829,653 4.19,654 4.511,655 4.812,656 5.063,657 5.209,658 5.403,659 5.549,660 5.649,661 5.79,662 9.106,663 0.633,664 533.73,665 3.829,666 5.398,667 6.275,668 7.174,669 8.064,670 8.968,671 9.865,672 10.771,673 11.672,674 12.58,675 6.7,677 1,681 1,682 1,685 2,688 12,689 2,693 10,695 24,703 1,709 1,712 1,714 75,716 25,717 3,718 45,720 80,721 33,722 22,723 9,724 9,725 1,730 6,731 7,736 3,740 3,743 3,745 23,746 10,750 1,755 1,759 1,764 35,765 7,766 1,767 7,773 5,777 0.833,778 2,787 1,792 1,793 5,796 1,814 1,819 5,823 4,827 40,833 4,834 1,835 1,837 2,838 2,847 2.7,850 1,852 1,854 20,855 14.8,856 8.667,857 4.656,858 4.401,859 1.48,860 1.002,861 7.309,862 13.573,863 4.078,864 4.682,865 5.286,866 5.863,867 6.427,868 6.73,869 7.192,870 7.555,871 7.898,872 8.309,873 1,874 70,875 14.832,877 6.364,878 7.55,879 28.946,881 24.425,883 2.05,884 82,888 400.217,889 195.971,890 57.83,892 36.145,895 195.971,896 436.362,897 57.83,898 37.359,899 11.976,900 112.773,901 86.963,902 64.417,904 376.675,906 400.217,907 253.801,908 36.145,911 308.377,912 130.314,915 74.557,916 143.345,917 33.571,919 400.217,920 93.975,921 195.971,924 400.217,925 45.755,926 156.465,927 18.011,928 69.716,929 400.217,930 93.975,931 195.971,933 0.588,934 0.355,935 0.198,936 0.107,937 33,938 15,939 0.063,940 5,941 1,942 1.061,943 4.949,944 415.869,945 0.061,946 33,947 198.877,951 26.493,952 11.036,953 5.251,955 93.975,956 23.792,957 8.719,961 9.786,963 18.011,964 690.163,965 58,970 13.729,974 0.025,975 74.418,976 84.138,977 0.23,978 0.574,979 0.775,980 0.849,981 0.874,982 0.874,983 5.342,984 1.946,985 6.275,986 6.177,987 4.875,988 5.371,989 1.893,990 7.124,991 4.813,992 6.548,993 1.879,994 7.857,995 5.755,996 4.511,997 5.147,998 0.57,999 8.076,1000 4.425,1001 7.859,1002 1.757,1003 9.538,1004 5.101,1005 6.509,1006 7.536,1007 1.815,1008 11.199,1009 6.388,1010 9.203,1011 1.632,1012 11.276,1013 4.963,1014 6.957,1015 8.121,1016 0.801,1017 12.967,1018 6.812,1019 10.58,1020 1.401,1021 13.051,1022 4.297,1023 8.427,1024 9.993,1025 1.914,1026 15.604,1027 8.253,1028 11.979,1029 1.28,1030 14.85,1031 3.998,1032 9.246,1033 10.96,1034 1.074,1035 17.71,1036 9.045,1037 13.395,1038 1.091,1039 16.668,1040 3.235,1041 10.508,1042 12.603,1043 2.092,1044 20.176,1045 10.28,1046 3.251,1047 1,1048 18.499,1049 2.666,1050 11.498,1051 13.769,1052 1.404,1053 22.429,1054 11.242,1055 3.061,1056 11.229,1057 20.341,1058 2.275,1059 12.679,1060 15.297,1061 2.32,1062 24.835,1063 12.396,1064 2.971,1065 10.148,1066 22.191,1067 4.163,1068 13.748,1069 16.572,1070 1.768,1071 27.155,1072 13.438,1073 2.765,1074 10.045,1075 24.048,1076 4.124,1077 14.899,1078 18.042,1079 2.581,1080 29.542,1081 14.562,1082 2.647,1083 8.958,1084 25.91,1085 3.785,1086 16.007,1087 19.376,1088 2.15,1089 31.896,1090 15.641,1091 2.451,1092 8.476,1093 27.777,1094 3.557,1095 17.15,1096 20.817,1097 2.867,1098 34.28,1099 16.756,1100 2.103,1101 7.296,1102 29.647,1103 3.277,1104 18.278,1105 22.185,1106 2.538,1107 36.652,1108 17.854,1109 26812,1110 40307,1111 30.342,1112 50.358,1113 69.165,1114 70.004,1115 70.839,1116 68.233,1117 68.293,1118 87.121,1119 7.106,1120 202.709,1121 66.107,1122 5.535,1123 5.757,1124 6.609,1125 5.284,1126 5.251,1127 7.163,1128 2.293,1129 18.637,1130 5.138,1131 19.614,1132 1.537,1133 1.556,1134 1.574,1135 1.516,1136 1.518,1137 1.936,1138 0.158,1139 4.505,1140 1.469,1141 4.091,1142 4.121,1143 4.045,1144 4.016,1145 7.428,1146 4.018,1147 3.999,1148 4.029,1149 3.955,1150 3.923,1151 5.029,1152 3.928,1153 3.865,1154 3.912,1155 3.811,1156 3.765,1157 4.856,1158 3.77,1159 3.806,1160 3.861,1161 3.704,1162 3.644,1163 4.764,1164 3.648,1165 3.685,1166 3.725,1167 3.619,1168 3.567,1169 4.528,1170 3.576,1171 3.474,1172 3.521,1173 3.381,1174 3.291,1175 4.455,1176 3.303,1177 3.367,1178 3.452,1179 3.151,1180 3.217,1181 4.398,1182 3.19,1183 3.197,1184 3.279,1185 3.103,1186 3.056,1187 3.962,1188 3.055,1189 0.101,1190 0.083,1191 0.151,1192 0.094,1193 0.072,1194 4.535,1195 0.093,1196 3.757,1197 0.027,1198 6.807,1199 0.25,1200 4.216,1201 0.07,1202 3.251,1203 4.163,1204 1.2,1205 11.229,1206 3.138,1207 2.019,1208 2,1209 2.103,1210 2.089,1211 1.331,1212 2.093,1213 1.922,1214 1.894,1215 2.046,1216 2.067,1217 1.247,1218 2.065,1219 1.834,1220 1.805,1221 1.938,1222 1.959,1223 1.166,1224 1.952,1225 1.747,1226 1.69,1227 1.915,1228 1.899,1229 1.046,1230 1.905,1231 1.663,1232 1.618,1233 1.802,1234 1.812,1235 0.97,1236 1.814,1237 1.479,1238 1.415,1239 1.733,1240 1.681,1241 0.956,1242 1.697,1243 1.405,1244 1.325,1245 1.713,1246 1.606,1247 0.772,1248 1.655,1249 1.222,1250 1.17,1251 1.568,1252 1.522,1253 0.6,1254 1.535,1255 4.511,1257 5.861,1258 2.398,1259 7.409,1260 4.727,1261 9.045,1262 6.843,1263 10.727,1265 8.225,1271 3.279,1272 3.595,1273 5.8,1275 0.758,1276 4.292,1280 47.439,1281 107.562,1282 268.06,1283 361.903,1284 396.632,1285 408.142,1286 408.142,1287 64.188,1288 9.172,1289 70.59,1290 70.59,1291 35,1292 13.098,1293 4.7,1294 3.807,1295 57.572,1296 220,1297 234,1298 0.126,1299 286.865,1300 499.96,1301 691.711,1302 154263,1304 27.802,1305 0.695,1306 0.588,1307 27.802,1308 23.517,1309 19.406,1310 0.431,1311 0.31,1312 13.771,1313 18.794,1314 13.297,1315 11.065,1316 19.406,1317 13.932,1318 17.793,1319 0.274,1320 0.168,1321 17.793,1322 10.913,1323 15.56,1324 0.173,1325 0.088,1326 15.56,1327 7.912,1328 13.617,1329 0.112,1330 0.05,1331 13.617,1332 6.072,1333 10.882,1334 0.069,1335 0.026,1336 10.882,1337 4.046,1338 0.203,1339 120.559,1340 0.182,1341 36.231,1342 0.332,1343 220,1344 550.384,1345 235.806,1346 539.689,1347 760.94,1348 510,1349 265,1350 578.14,1351 282.416,1352 591.805,1353 871.67,1354 557,1355 6.6} {0 CHEMBL364495,1 1.649,2 14.258,3 4.521,4 20.438,5 121.845,6 7.874,7 0.5,8 4.127,9 4.241,10 3.745,11 3.66,12 5.22,13 3.638,14 4.686,15 4.863,16 4.104,17 4.055,18 5.812,19 4.017,20 4.941,21 5.144,22 4.196,23 4.225,24 5.937,25 4.148,26 5.038,27 5.269,28 4.123,29 4.201,30 6.067,31 4.086,32 4.99,33 5.252,34 3.875,35 4.083,36 5.85,37 3.959,38 4.881,39 5.124,40 3.798,41 3.999,42 5.802,43 3.868,44 4.783,45 5.033,46 3.817,47 3.951,48 5.632,49 3.834,50 4.776,51 4.996,52 3.799,53 3.933,54 5.786,55 3.817,56 0.129,57 0.818,58 10.823,59 5.03,60 9.066,61 6.593,62 0.357,63 1.325,64 22.555,65 8.159,66 46.511,67 10.95,68 0.479,69 1.605,70 32.266,71 11.038,72 36.583,73 14.924,74 0.592,75 1.614,76 39.799,77 13.342,78 75.948,79 18.089,80 0.519,81 1.535,82 35.982,83 12.185,84 54.565,85 16.98,86 0.642,87 1.38,88 33.71,89 10.752,90 61.616,91 14.915,92 0.357,93 1.308,94 28.534,95 9.763,96 34.056,97 13.71,98 0.502,99 1.217,100 32.183,101 9.843,102 63.347,103 12.867,104 18,105 47,106 0.269,107 0.561,108 0.727,109 0.83,110 0.853,111 0.853,112 3.471,113 0.948,114 -4.45,115 -4.38,116 -4.13,119 41.1,120 1,125 7,140 8,141 2,142 3,144 2,164 2,169 7,171 1,172 8,178 8,181 2,182 11,189 7,192 1,193 11,199 6,202 1,203 5,211 2,214 3,215 6,222 1,225 1,226 3,236 1,237 3,248 2,249 6,259 1639,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.485,266 25.171,267 12.31,268 21.467,269 16.782,270 16.782,271 16.782,272 16.782,273 16.782,274 13.252,275 32.35,276 5.85,277 17.772,278 4.159,279 2.377,280 1.357,281 0.728,282 0.585,283 0.585,284 4.169,285 1,288 1,289 1,290 956,291 3.391,295 403.591,299 156.74,302 2.298,303 29.687,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.333,315 442,316 4.516,317 3.821,318 6.517,319 4.026,320 3.054,321 4.458,322 2.612,323 10.248,324 2.968,325 4.407,326 3.186,327 6.368,328 3.931,329 2.983,330 4.134,331 0.916,332 9.571,333 2.818,334 3.801,335 3.075,336 5.592,337 3.603,338 2.678,339 3.198,340 0.86,341 7.682,342 2.474,343 3.717,344 2.93,345 5.333,346 3.322,347 2.38,348 3.17,349 0.8,350 6.873,351 2.243,352 3.585,353 2.72,354 5.296,355 3.273,356 2.321,357 2.714,358 0.172,359 6.703,360 2.208,361 3.371,362 2.592,363 4.922,364 2.95,365 2.006,366 2.63,368 5.72,369 1.88,370 3.294,371 2.264,372 4.813,373 2.842,374 1.887,375 2.545,377 5.291,378 1.795,379 3.067,380 2.139,381 4.691,382 2.719,383 1.819,384 2.219,386 4.736,387 1.565,388 2.988,389 1.602,390 4.196,391 2.512,392 1.524,393 2.097,395 3.817,396 1.503,397 2.607,398 1.467,399 3.609,400 2.156,401 1.228,402 1.596,404 2.714,405 1.129,406 2.491,407 1.416,408 3.526,409 2,410 1,411 1.488,413 2.424,414 1,415 2.139,416 1.146,417 3.414,418 1.967,419 1,420 1.082,422 2.275,423 0.965,424 2,425 1,426 3.315,427 1.836,428 0.867,429 1,431 2.004,432 0.836,433 1.512,434 0.971,435 3.014,436 1.26,437 0.34,438 0.379,440 0.835,441 0.297,442 1.276,443 0.817,444 2.696,445 0.963,446 0.059,447 0.068,449 0.142,450 0.049,451 14.814,452 0.478,453 0.767,454 0.025,455 40,456 1.29,457 19.5,458 0.629,459 20.5,460 0.661,461 26.39,462 0.851,463 33.786,464 0.603,465 29.602,466 0.955,467 7.979,468 0.257,469 7.012,470 0.226,471 0.127,473 0.317,479 0.531,480 1.382,481 0.635,482 1.064,483 0.486,484 0.978,485 0.902,486 1.113,487 0.759,488 0.87,489 0.415,490 0.87,491 0.913,492 1.016,493 0.947,494 1.007,495 0.552,496 1.027,497 0.762,498 1.096,499 0.926,500 1.16,501 0.653,502 1.102,503 0.901,504 0.9,505 0.727,506 0.882,507 0.673,508 0.922,509 0.927,510 1,511 0.988,512 1.019,513 0.974,514 1.076,515 0.776,516 1.016,517 0.788,518 0.95,519 0.588,520 0.98,521 1.338,522 1.002,523 1.322,524 1.091,525 1.544,526 1.114,527 6.5,528 0.161,529 3.333,530 1.938,531 1.582,532 0.715,533 0.667,534 0.389,535 0.209,536 0.222,537 15424,538 45488,539 2.084,540 44.6,542 22,546 3,550 1.728,551 1.958,552 3.748,553 -0.735,559 92.319,560 1.649,561 3.431,562 4.451,563 5.08,564 5.222,565 5.222,566 3.205,567 4.672,568 4.93,569 3.986,570 1853.5,571 8.559,572 28638.1,574 1,577 325.212,578 1.383,579 4.888,580 0.191,581 0.008,582 0.071,583 0.04,584 0.039,585 0.02,586 0.022,587 0.012,588 0.007,589 0.009,590 0.419,591 0.17,592 1,593 0.701,594 166.083,595 0.155,596 -0.166,597 0.05,598 -0.058,599 0.026,600 -0.026,601 -0.027,602 0.028,603 0.029,604 0.082,605 0.199,606 0.065,607 -0.044,608 0.058,609 -0.055,610 -0.04,611 0.027,612 -0.067,613 0.123,614 -0.156,615 0.035,616 -0.158,617 0.156,618 -0.091,619 -0.034,620 0.028,621 0.075,622 0.066,623 0.001,624 0.076,625 0.022,626 -0.05,627 -0.08,628 -0.057,629 -0.094,630 -0.089,631 -0.015,632 -0.029,633 0.057,634 0.004,635 -0.001,636 0.013,637 -0.205,638 -0.051,639 -0.206,640 -0.093,641 -0.239,642 -0.134,643 2.434,644 4.085,645 0.71,646 34.576,647 1.008,648 1.127,649 3.218,650 10.354,651 0.672,652 3.555,653 3.871,654 4.111,655 4.344,656 4.564,657 4.543,658 4.625,659 4.682,660 4.736,661 4.804,662 8.528,663 0.64,664 440.97,665 3.555,666 5.094,667 5.932,668 6.799,669 7.651,670 8.519,671 9.375,672 10.243,673 11.102,674 11.969,675 7.1,678 2,685 1,686 1,687 2,688 8,689 1,693 5,695 17,708 1,712 1,713 1,714 56,716 19,717 2,718 34,720 59,721 23,722 15,723 6,724 6,730 4,731 5,732 1,736 1,745 15,746 8,750 2,752 1,755 2,761 1,764 25,765 6,767 8,768 1,773 4,777 0.75,778 3,786 1,793 4,797 1,815 2,819 3,823 1,824 1,827 31,833 7,835 1,838 2,846 1,847 5.4,852 1,853 2,854 15.833,855 10.36,856 6.778,857 3.401,858 3.414,859 1.433,860 0.978,861 6.908,862 11.303,863 3.818,864 4.419,865 4.958,866 5.522,867 6.064,868 6.239,869 6.52,870 6.745,871 6.968,872 6.736,873 1,874 48,875 11.462,877 4.851,878 7.783,879 21.984,881 18.035,883 2.283,884 70.778,887 1,888 294.278,889 124.022,890 28.704,891 39.149,892 61.747,895 124.022,896 395.173,897 28.704,898 14.495,899 17.227,900 75.81,901 16.786,902 39.409,904 294.278,905 89.896,906 294.278,907 152.726,908 61.747,909 39.149,911 294.278,912 11,913 50.747,915 37.201,916 93.069,917 61.604,919 294.278,920 90.451,921 163.171,924 294.278,925 39.387,926 96.554,928 117.681,929 294.278,930 90.451,931 163.171,933 0.583,934 0.335,935 0.179,936 0.098,937 22,938 10,939 0.119,940 7,941 1,942 1.091,943 4.376,944 266.21,945 0.091,946 22,947 145.58,951 21.815,952 9.816,953 5.451,954 1.989,955 84.781,956 15.068,957 4.556,961 2.917,964 547.899,965 44.5,967 -0.434,970 22.17,975 56.432,976 63.133,977 0.284,978 0.591,979 0.766,980 0.875,981 0.899,982 0.899,983 5.051,984 1.819,985 5.911,986 5.291,987 4.554,988 5.106,989 2.781,990 6.688,991 4.445,992 6.251,993 1.524,994 7.451,995 4.736,996 4.111,997 4.977,998 2.431,999 7.519,1000 3.923,1001 7.555,1002 1.228,1003 9.087,1004 3.817,1005 6.12,1006 7.32,1007 4.193,1008 10.585,1009 5.915,1010 8.892,1011 1,1012 10.779,1013 2.714,1014 6.463,1015 8.015,1016 4.515,1017 12.24,1018 6.186,1019 10.261,1020 1,1021 12.509,1022 2.424,1023 7.948,1024 9.86,1025 5.953,1026 14.82,1027 7.655,1028 11.653,1029 0.867,1030 14.264,1031 2.275,1032 8.67,1033 10.952,1034 6.557,1035 16.837,1036 8.317,1037 13.064,1038 0.34,1039 16.04,1040 2.004,1041 9.932,1042 12.592,1043 7.795,1044 19.243,1045 9.558,1046 3.054,1047 0.059,1048 17.831,1049 0.835,1050 10.844,1051 13.882,1052 8.548,1053 21.422,1054 10.42,1055 2.983,1056 10.248,1057 19.635,1058 0.142,1059 12.008,1060 15.43,1061 9.67,1062 23.763,1063 11.558,1064 2.678,1065 9.571,1066 21.449,1067 4.458,1068 13.015,1069 16.816,1070 10.509,1071 26.013,1072 12.523,1073 2.38,1074 7.682,1075 23.271,1076 4.134,1077 14.138,1078 18.325,1079 11.563,1080 28.332,1081 13.617,1082 2.321,1083 6.873,1084 25.101,1085 3.198,1086 15.192,1087 19.758,1088 12.452,1089 30.614,1090 14.633,1091 2.006,1092 6.703,1093 26.936,1094 3.17,1095 16.299,1096 21.249,1097 13.468,1098 32.926,1099 15.71,1100 1.887,1101 5.72,1102 28.777,1103 2.714,1104 17.376,1105 22.705,1106 14.386,1107 35.223,1108 16.752,1109 14568,1110 25274,1111 22.77,1112 37.62,1113 50.342,1114 52.401,1115 51.801,1116 50.396,1117 50.293,1118 65.556,1119 10.722,1120 142.068,1121 47.461,1122 5.516,1123 5.821,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 4.612,1129 17.078,1130 4.968,1131 15.551,1132 1.481,1133 1.541,1134 1.524,1135 1.482,1136 1.479,1137 1.928,1138 0.315,1139 4.178,1140 1.396,1141 4.079,1142 4.105,1143 4.081,1144 4,1145 7.815,1146 4.006,1147 4.006,1148 4.034,1149 4.03,1150 3.897,1151 6.999,1152 3.902,1153 3.827,1154 3.893,1155 3.732,1156 3.622,1157 5.016,1158 3.634,1159 3.556,1160 3.602,1161 3.516,1162 3.428,1163 4.898,1164 3.424,1165 3.508,1166 3.548,1167 3.457,1168 3.243,1169 4.581,1170 3.259,1171 3.394,1172 3.448,1173 3.388,1174 3.079,1175 4.409,1176 3.138,1177 3.125,1178 3.206,1179 3.209,1180 2.953,1181 4.28,1182 2.956,1183 3.111,1184 3.184,1185 2.952,1186 2.941,1187 4.197,1188 2.91,1189 0.133,1190 0.112,1191 0.192,1192 0.118,1193 0.09,1194 4.516,1195 0.131,1196 3.821,1197 0.077,1198 6.517,1199 0.301,1200 4.026,1201 0.087,1202 3.054,1203 4.458,1204 2.612,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.938,1214 1.913,1215 2.043,1216 2.093,1217 1.221,1218 2.073,1219 1.765,1220 1.697,1221 1.941,1222 1.996,1223 1.142,1224 1.977,1225 1.535,1226 1.49,1227 1.744,1228 1.73,1229 0.957,1230 1.721,1231 1.407,1232 1.342,1233 1.669,1234 1.668,1235 0.825,1236 1.653,1237 1.231,1238 1.193,1239 1.513,1240 1.586,1241 0.804,1242 1.553,1243 1.153,1244 1.064,1245 1.425,1246 1.376,1247 0.629,1248 1.429,1249 1.111,1250 1.042,1251 1.402,1252 1.313,1253 0.479,1254 1.35,1255 4.234,1257 5.549,1259 7.057,1261 8.655,1263 10.298,1265 1.987,1266 5.908,1271 5.865,1273 6.06,1276 4.692,1280 35.852,1281 92.319,1282 192.115,1283 249.238,1284 284.457,1285 292.457,1286 292.457,1287 55.598,1288 7.889,1289 74.42,1290 74.42,1291 24,1292 12.515,1293 4.322,1294 3.524,1295 49.959,1296 163,1297 133,1298 0.147,1299 222.973,1300 386.14,1301 535.814,1302 34978,1303 1.8,1304 21.794,1305 0.703,1306 0.588,1307 22.294,1308 18.216,1309 14.991,1310 0.441,1311 0.316,1312 10.236,1313 14.046,1314 9.963,1315 8.197,1316 15.28,1317 10.739,1318 13.651,1319 0.29,1320 0.174,1321 14.022,1322 8.192,1323 11.102,1324 0.185,1325 0.098,1326 11.46,1327 5.894,1328 9.176,1329 0.121,1330 0.053,1331 9.52,1332 4.051,1333 7.515,1334 0.079,1335 0.031,1336 7.729,1337 2.93,1338 0.243,1339 97.563,1340 0.21,1341 29.975,1342 0.375,1343 162,1344 497.99,1345 193.456,1346 505.636,1347 671.33,1348 470,1349 188,1350 468.724,1351 216.947,1352 478.21,1353 694.12,1354 448,1355 8.3} {0 CHEMBL365810,1 1.583,2 14.258,3 3.589,4 12.881,5 118.735,6 7.413,7 0.5,8 4.148,9 4.263,10 3.709,11 3.644,12 5.268,13 3.633,14 4.696,15 4.873,16 4.051,17 4.034,18 5.837,19 4.008,20 4.956,21 5.159,22 4.116,23 4.202,24 5.981,25 4.138,26 5.065,27 5.298,28 4.022,29 4.187,30 6.157,31 4.081,32 5.025,33 5.289,34 3.847,35 4.087,36 5.907,37 3.966,38 4.889,39 5.132,40 3.75,41 3.986,42 5.829,43 3.864,44 4.808,45 5.063,46 3.746,47 3.931,48 5.666,49 3.825,50 4.795,51 5.015,52 3.714,53 3.893,54 5.835,55 3.803,56 0.15,57 0.84,58 11.912,59 5.13,60 12.465,61 6.766,62 0.358,63 1.351,64 22.963,65 8.043,66 47.828,67 11.148,68 0.494,69 1.647,70 31.048,71 10.818,72 40.634,73 15.04,74 0.655,75 1.664,76 36.629,77 12.814,78 101.607,79 18.1,80 0.57,81 1.557,82 36.655,83 11.99,84 65.802,85 17.244,86 0.659,87 1.394,88 31.384,89 10.294,90 66.54,91 14.756,92 0.376,93 1.333,94 28.458,95 9.413,96 37.955,97 13.778,98 0.519,99 1.257,100 28.201,101 9.126,102 72.44,103 12.432,104 18,105 47,106 0.258,107 0.564,108 0.727,109 0.828,110 0.856,111 0.856,112 3.471,113 0.917,114 -3.49,115 -3.47,116 -3.31,119 40.4,120 1,125 7,140 8,141 2,142 3,144 2,164 2,169 7,171 1,172 8,176 1,178 7,181 2,182 10,184 1,186 2,189 5,192 1,193 9,195 2,197 1,199 5,202 1,203 5,211 2,214 3,215 5,218 1,222 1,225 1,226 3,236 1,237 3,248 2,249 5,252 1,259 1639,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.485,266 25.626,267 12.31,268 21.388,269 16.782,270 16.782,271 16.782,272 16.782,273 16.782,274 13.252,275 33.106,276 5.85,277 17.605,278 4.25,279 2.37,280 1.368,281 0.75,282 0.575,283 0.575,284 4.169,288 1,289 1,290 956,291 3.391,295 403.591,299 156.74,302 2.298,303 32.82,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 442,316 4.516,317 3.808,318 6.517,319 4.026,320 3.054,321 4.458,322 2.612,323 10.248,324 2.968,325 4.407,326 3.186,327 6.368,328 3.951,329 2.983,330 4.134,331 0.916,332 9.571,333 2.884,334 3.801,335 3.065,336 5.592,337 3.605,338 2.678,339 3.198,340 0.86,341 7.682,342 2.485,343 3.717,344 2.818,345 5.333,346 3.324,347 2.38,348 3.17,349 0.8,350 6.873,351 2.249,352 3.585,353 2.642,354 5.296,355 3.274,356 2.321,357 2.714,358 0.172,359 6.703,360 2.209,361 3.371,362 2.575,363 4.922,364 2.952,365 2.006,366 2.63,368 5.72,369 1.887,370 3.294,371 2.216,372 4.813,373 2.845,374 1.887,375 2.545,377 5.291,378 1.8,379 3.067,380 2.133,381 4.691,382 2.771,383 1.819,384 2.219,386 4.736,387 1.724,388 2.988,389 1.601,390 4.196,391 2.512,392 1.524,393 2.097,395 3.817,396 1.504,397 2.607,398 1.465,399 3.609,400 2.157,401 1.228,402 1.596,404 2.714,405 1.13,406 2.491,407 1.361,408 3.526,409 2,410 1,411 1.488,413 2.424,414 1,415 2.139,416 1.146,417 3.414,418 1.967,419 1,420 1.082,422 2.275,423 0.965,424 2,425 1,426 3.315,427 1.836,428 0.867,429 1,431 2.004,432 0.837,433 1.512,434 0.969,435 3.014,436 1.284,437 0.34,438 0.379,440 0.835,441 0.319,442 1.276,443 0.694,444 2.696,445 0.991,446 0.059,447 0.068,449 0.142,450 0.055,451 14.433,452 0.466,453 0.767,454 0.025,455 40.5,456 1.306,457 20,458 0.645,459 20.5,460 0.661,461 25.264,462 0.815,463 34.167,464 0.599,465 30.729,466 0.991,467 8.147,468 0.263,469 6.844,470 0.221,471 0.104,473 0.326,479 0.638,480 1.373,481 0.772,482 1.135,483 0.607,484 1.007,485 0.884,486 1.136,487 0.891,488 0.963,489 0.43,490 0.913,491 0.903,492 1.035,493 1.036,494 1.061,495 0.588,496 1.059,497 0.756,498 1.095,499 0.972,500 1.141,501 0.618,502 1.109,503 0.93,504 0.888,505 0.953,506 0.93,507 0.739,508 0.944,509 0.914,510 1,511 1.085,512 1.012,513 0.943,514 1.081,515 0.766,516 1.007,517 0.936,518 1.01,519 0.571,520 0.996,521 1.351,522 1.026,523 1.202,524 1.057,525 1.555,526 1.101,527 6.5,528 0.161,529 3.333,530 1.938,531 1.582,532 0.715,533 0.667,534 0.389,535 0.209,536 0.222,537 15424,538 43616,539 2.084,540 45.6,542 22,545 1,546 3,550 1.728,551 1.958,552 3.748,553 -0.329,555 1,559 90.221,560 1.583,561 3.463,562 4.465,563 5.083,564 5.258,565 5.258,566 3.205,567 4.672,568 4.93,569 3.986,570 1853.5,571 8.559,572 28638.1,574 1,576 1,577 332.475,578 1.383,579 4.888,580 0.191,581 0.008,582 0.071,583 0.04,584 0.039,585 0.02,586 0.022,587 0.012,588 0.007,589 0.009,590 0.419,591 0.33,592 1,593 0.701,594 166.083,595 0.112,596 -0.145,597 0.064,598 -0.035,599 -0.011,600 -0.011,601 -0.026,602 0.015,603 0.021,604 0.047,605 0.176,606 0.053,607 -0.038,608 0.047,609 -0.101,610 -0.065,611 0.025,612 -0.085,613 0.129,614 -0.145,615 -0.001,616 -0.135,617 0.202,618 -0.099,619 -0.052,620 0.028,621 0.046,622 0.044,623 -0.023,624 0.061,625 0.022,626 -0.046,627 -0.098,628 -0.035,629 -0.089,630 -0.091,631 -0.016,632 -0.023,633 0.032,634 -0.036,635 0.004,636 0.004,637 -0.205,638 -0.063,639 -0.2,640 -0.084,641 -0.238,642 -0.136,643 2.552,644 4.009,645 0.71,646 34.576,647 1.008,648 1.13,649 2.258,650 5.1,651 0.653,652 3.555,653 3.871,654 4.111,655 4.344,656 4.564,657 4.543,658 4.625,659 4.682,660 4.736,661 4.804,662 8.528,663 0.627,664 422.53,665 3.555,666 5.094,667 5.932,668 6.799,669 7.651,670 8.519,671 9.375,672 10.243,673 11.102,674 11.969,675 7,678 2,685 1,686 1,687 2,688 8,689 1,693 5,695 17,708 1,711 1,712 1,714 57,716 19,717 2,718 34,720 60,721 23,722 15,723 6,724 6,730 4,731 5,736 1,745 15,746 8,750 2,752 1,755 2,761 1,764 26,765 7,766 1,767 8,773 4,777 0.75,778 4,786 1,793 4,797 1,815 2,819 3,823 1,827 31,832 1,833 7,835 1,838 2,847 7,849 1,852 1,853 2,854 15.833,855 10.417,856 6.778,857 3.415,858 3.414,859 1.433,860 0.959,861 6.662,862 11.303,863 3.818,864 4.419,865 4.958,866 5.522,867 6.064,868 6.239,869 6.52,870 6.745,871 6.968,872 6.736,873 1,874 48,875 11.48,877 4.891,878 7.844,879 21.899,881 17.969,883 2.344,884 72.667,887 1,888 294.278,889 120.521,890 28.704,892 104.43,895 120.521,896 398.708,897 28.704,898 14.495,899 17.227,900 75.81,901 59.469,902 35.908,904 294.278,905 50.747,906 294.278,907 149.226,908 104.43,911 294.278,912 53.683,913 50.747,915 37.201,916 89.569,917 22.456,919 294.278,920 133.134,921 120.521,924 294.278,925 35.886,926 96.554,928 121.216,929 294.278,930 133.134,931 120.521,933 0.583,934 0.335,935 0.179,936 0.098,937 22,938 10,939 0.117,940 7,941 1,942 1.091,943 4.376,944 266.21,945 0.091,946 22,947 145.58,951 21.503,952 9.604,953 5.311,954 1.974,955 127.464,956 14.586,957 4.55,961 2.144,963 42.683,964 547.933,965 44.5,967 -0.552,970 22.019,975 57.436,976 64.398,977 0.271,978 0.594,979 0.765,980 0.871,981 0.901,982 0.901,983 5.051,984 1.819,985 5.911,986 5.291,987 4.554,988 5.106,989 2.781,990 6.688,991 4.464,992 6.251,993 1.524,994 7.451,995 4.736,996 4.111,997 4.977,998 2.431,999 7.519,1000 3.969,1001 7.555,1002 1.228,1003 9.087,1004 3.817,1005 6.12,1006 7.32,1007 4.193,1008 10.585,1009 5.946,1010 8.892,1011 1,1012 10.779,1013 2.714,1014 6.463,1015 8.015,1016 4.515,1017 12.24,1018 6.244,1019 10.261,1020 1,1021 12.509,1022 2.424,1023 7.948,1024 9.86,1025 5.953,1026 14.82,1027 7.701,1028 11.653,1029 0.867,1030 14.264,1031 2.275,1032 8.67,1033 10.952,1034 6.557,1035 16.837,1036 8.385,1037 13.064,1038 0.34,1039 16.04,1040 2.004,1041 9.932,1042 12.592,1043 7.795,1044 19.243,1045 9.621,1046 3.054,1047 0.059,1048 17.831,1049 0.835,1050 10.844,1051 13.882,1052 8.548,1053 21.422,1054 10.501,1055 2.983,1056 10.248,1057 19.635,1058 0.142,1059 12.008,1060 15.43,1061 9.67,1062 23.763,1063 11.639,1064 2.678,1065 9.571,1066 21.449,1067 4.458,1068 13.015,1069 16.816,1070 10.509,1071 26.013,1072 12.617,1073 2.38,1074 7.682,1075 23.271,1076 4.134,1077 14.138,1078 18.325,1079 11.563,1080 28.332,1081 13.714,1082 2.321,1083 6.873,1084 25.101,1085 3.198,1086 15.192,1087 19.758,1088 12.452,1089 30.614,1090 14.74,1091 2.006,1092 6.703,1093 26.936,1094 3.17,1095 16.299,1096 21.249,1097 13.468,1098 32.926,1099 15.821,1100 1.887,1101 5.72,1102 28.777,1103 2.714,1104 17.376,1105 22.705,1106 14.386,1107 35.223,1108 16.871,1109 14568,1110 24710,1111 22.77,1112 37.216,1113 50.342,1114 52.048,1115 51.801,1116 50.313,1117 50.293,1118 65.556,1119 10.722,1120 142.068,1121 48.028,1122 5.516,1123 5.808,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 4.612,1129 17.078,1130 4.968,1131 15.551,1132 1.481,1133 1.531,1134 1.524,1135 1.48,1136 1.479,1137 1.928,1138 0.315,1139 4.178,1140 1.413,1141 4.079,1142 4.105,1143 4.04,1144 4,1145 7.815,1146 4.006,1147 4.006,1148 4.034,1149 3.969,1150 3.882,1151 6.999,1152 3.893,1153 3.827,1154 3.893,1155 3.722,1156 3.619,1157 6.468,1158 3.632,1159 3.556,1160 3.602,1161 3.483,1162 3.428,1163 5.015,1164 3.424,1165 3.508,1166 3.548,1167 3.435,1168 3.238,1169 4.597,1170 3.257,1171 3.395,1172 3.449,1173 3.262,1174 3.075,1175 4.572,1176 3.138,1177 3.137,1178 3.206,1179 3.02,1180 2.951,1181 4.335,1182 2.951,1183 3.111,1184 3.193,1185 2.907,1186 2.941,1187 4.218,1188 2.91,1189 0.133,1190 0.112,1191 0.192,1192 0.118,1193 0.09,1194 4.516,1195 0.131,1196 3.808,1197 0.077,1198 6.517,1199 0.301,1200 4.026,1201 0.087,1202 3.054,1203 4.458,1204 2.612,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.935,1214 1.91,1215 2.048,1216 2.101,1217 1.221,1218 2.077,1219 1.765,1220 1.697,1221 1.948,1222 1.999,1223 1.136,1224 1.98,1225 1.535,1226 1.49,1227 1.744,1228 1.73,1229 0.956,1230 1.721,1231 1.407,1232 1.342,1233 1.67,1234 1.669,1235 0.825,1236 1.653,1237 1.232,1238 1.193,1239 1.513,1240 1.59,1241 0.804,1242 1.554,1243 1.153,1244 1.064,1245 1.425,1246 1.376,1247 0.621,1248 1.429,1249 1.111,1250 1.042,1251 1.414,1252 1.34,1253 0.479,1254 1.351,1255 4.234,1257 5.549,1259 7.057,1261 8.655,1263 10.298,1265 1.982,1270 9.604,1271 5.678,1273 6.048,1276 4.634,1280 35.74,1281 90.221,1282 197.378,1283 254.501,1284 289.72,1285 299.72,1286 299.72,1287 58.83,1288 7.889,1289 94.65,1290 94.65,1291 24,1292 12.515,1293 4.322,1294 3.524,1295 49.959,1296 163,1297 133,1298 0.147,1299 218.636,1300 379.72,1301 525.233,1302 34978,1304 21.794,1305 0.703,1306 0.565,1307 21.794,1308 17.529,1309 14.991,1310 0.441,1311 0.306,1312 10.225,1313 14.27,1314 9.997,1315 8.235,1316 14.991,1317 10.396,1318 13.651,1319 0.29,1320 0.166,1321 13.651,1322 7.822,1323 11.102,1324 0.185,1325 0.093,1326 11.102,1327 5.604,1328 9.176,1329 0.121,1330 0.051,1331 9.176,1332 3.882,1333 7.515,1334 0.079,1335 0.029,1336 7.515,1337 2.793,1338 0.243,1339 94.965,1340 0.21,1341 29.975,1342 0.375,1343 162,1344 503.937,1345 180.04,1346 479.84,1347 643.61,1348 446,1349 188,1350 470.892,1351 206.96,1352 469.74,1353 680.46,1354 440,1355 8} {0 CHEMBL366322,1 1.275,2 7.111,3 4.065,4 16.525,5 78.228,6 5.986,7 0.316,8 3.759,9 3.916,10 3.134,11 3.267,12 4.693,13 3.198,14 4.325,15 4.562,16 3.512,17 3.673,18 5.169,19 3.579,20 4.524,21 4.743,22 3.487,23 3.836,24 5.396,25 3.696,26 4.728,27 5.027,28 3.403,29 3.86,30 5.446,31 3.679,32 4.625,33 4.901,34 3.407,35 3.81,36 5.373,37 3.634,38 4.617,39 4.893,40 3.108,41 3.718,42 5.393,43 3.506,44 4.673,45 5.053,46 2.54,47 3.468,48 5.142,49 3.14,50 4.086,51 4.471,52 2.439,53 2.892,54 4.622,55 2.645,56 0.058,57 0.596,58 10.199,59 3.751,60 8.073,61 5.784,62 0.194,63 0.938,64 17.599,65 6.441,66 16.35,67 9.708,68 0.142,69 1.125,70 21.425,71 7.696,72 21.56,73 11.944,74 0.194,75 1.189,76 25.228,77 8.864,78 24.382,79 13.827,80 0.123,81 1.112,82 22.702,83 8.617,84 21.5,85 13.117,86 0.197,87 1.078,88 22.996,89 7.476,90 25.821,91 12.044,92 0.185,93 0.882,94 22.542,95 7.707,96 20.366,97 12.146,98 0.091,99 0.499,100 12.46,101 4.014,102 12.986,103 6.535,104 27,105 28,106 0.231,107 0.536,108 0.701,109 0.701,110 0.701,111 0.701,112 2.961,113 1.034,114 -4.43,115 -4.36,116 -4.11,119 36.6,120 5,123 1,125 2,140 2,141 3,142 1,157 1,169 10,174 2,175 1,176 2,178 14,186 4,189 14,193 2,197 3,199 11,203 4,208 5,211 6,215 1,220 4,226 1,231 1,237 3,242 3,259 334,260 11.334,261 11.334,262 11.334,263 11.334,264 11.334,265 10.258,266 18.194,267 6.502,268 11.525,269 9.369,270 9.369,271 9.369,272 9.369,273 9.369,274 7.726,275 23.449,276 3.099,277 9.692,278 4.083,279 2.396,280 1.483,281 1.483,282 1.483,283 1.483,284 3.601,287 1,288 1,289 1,290 262,291 3.082,294 52.252,295 60.433,302 1.346,303 9.202,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 37.5,315 128,316 4.539,317 3.566,318 7.128,319 4.344,320 3.346,321 4.143,322 1.263,323 11.757,324 3.342,325 4.178,326 3.21,327 6.401,328 3.91,329 2.933,330 3.427,331 0.277,332 9.712,333 2.869,334 3.798,335 2.889,336 5.329,337 3.375,338 2.456,339 3.053,340 0.247,341 6.906,342 2.25,343 3.232,344 2.147,345 4.879,346 2.879,347 1.879,348 2.481,350 5.225,351 1.879,352 2.921,353 1.703,354 4.665,355 2.592,356 1.607,357 2.029,359 4.845,360 1.582,361 2.265,362 1.425,363 3.608,364 2.154,365 1.202,366 1.249,368 2.702,369 1.141,370 1.808,371 1.098,372 3.198,373 1.518,374 0.618,375 0.672,377 1.372,378 0.556,379 1.571,380 0.844,381 3,382 1.398,383 0.442,384 0.486,386 1.148,387 0.421,388 1,389 -0.11,390 2.653,391 0.653,392 -0.347,393 -0.445,395 -0.898,396 -0.347,397 0.556,398 -0.323,399 2.651,400 0.27,401 -0.681,402 -0.765,404 -1.839,405 -0.646,406 0.173,407 -0.655,408 2.11,410 -1,411 -1,413 -2.732,414 -1,416 -1,417 2,419 -1,420 -1,422 -3,423 -1,425 -1,426 2,428 -1,429 -1.144,431 -3,432 -1,433 -0.232,434 -1.052,435 1.468,436 -0.532,437 -1.52,438 -1.595,440 -3.628,441 -1.436,442 -0.3,443 -1.255,444 1.332,445 -0.575,446 -1.532,447 -1.883,449 -4.372,450 -1.456,451 8.7,452 0.483,453 0.71,454 0.039,455 19,456 1.056,457 8,458 0.444,459 11,460 0.611,461 17.975,462 0.999,463 20.7,464 0.505,465 11.062,466 0.615,467 3.432,468 0.191,469 4.944,470 0.275,471 0.287,472 0.057,473 0.287,479 1.114,480 1.454,481 1.058,482 1.233,483 1.322,484 1.156,485 0.74,486 0.862,487 0.797,488 0.843,489 0.618,490 0.828,491 1.209,492 1.408,493 1.303,494 1.378,495 1.302,496 1.353,497 1.065,498 0.895,499 0.98,500 0.917,501 1.038,502 0.937,503 0.566,504 1.23,505 0.931,506 1.17,507 0.588,508 1.096,509 1.543,510 1.261,511 1.447,512 1.333,513 1.728,514 1.374,515 0.772,516 0.67,517 0.79,518 0.737,519 0.738,520 0.76,521 0.467,522 0.755,523 0.417,524 0.566,525 0.266,526 0.5,527 5.5,529 2.444,530 1.472,531 1.519,532 0.534,533 0.302,534 0.202,535 0.117,536 0.074,537 2460,538 4426,539 1.919,540 56.1,541 15,542 6,545 2,550 1.589,551 1.728,552 2.817,553 0.32,555 1,559 52.259,560 1.275,561 2.962,562 3.875,563 3.875,564 3.875,565 3.875,566 2.241,567 3.044,568 4.141,569 2.996,570 458.419,571 7.038,572 4278.97,574 1,576 1,577 219.66,578 1.788,579 4.043,580 0.289,582 0.087,583 0.059,584 0.066,585 0.023,586 0.022,587 0.029,588 0.015,589 0.012,590 0.602,591 0.83,592 1,593 0.977,594 75.473,595 -0.01,596 -0.127,597 0.039,598 -0.027,599 -0.239,600 0.004,601 0.387,602 0.289,603 0.248,604 0.231,605 0.395,606 0.228,607 -0.161,608 -0.237,609 -0.265,610 -0.279,611 -0.219,612 -0.28,613 -0.097,614 0.084,615 -0.005,616 0.062,617 -0.107,618 0.041,619 0.115,620 -0.238,621 0.029,622 -0.122,623 0.248,624 -0.065,625 -0.319,626 -0.212,627 -0.438,628 -0.36,629 -0.5,630 -0.401,631 0.019,632 0.081,633 0.103,634 0.115,635 0.03,636 0.116,637 0.331,638 -0.032,639 0.477,640 0.271,641 0.572,642 0.367,643 1.058,644 1.379,645 0.611,646 11.79,647 0.979,648 1.138,649 3.196,650 10.217,651 0.625,652 2.996,653 3.367,654 3.526,655 3.714,656 3.85,657 3.829,658 3.85,659 3.664,660 3.497,661 3.367,662 4.533,663 0.569,664 245.41,665 2.996,666 4.554,667 5.38,668 6.271,669 7.124,670 8.011,671 8.874,672 9.759,673 10.628,674 11.511,675 7.3,677 1,680 1,684 1,688 2,693 4,695 6,707 1,714 41,716 7,717 1,718 19,720 42,721 15,722 6,723 4,724 2,730 2,731 2,734 1,736 5,737 1,745 7,746 8,750 1,758 1,759 1,761 1,764 23,765 3,766 2,767 3,773 3,777 1,792 1,793 1,814 1,819 2,823 5,827 18,833 2,834 2,839 1,854 10.417,855 8.867,856 3.806,857 2.483,858 1.45,859 1.242,860 0.928,861 3.556,862 7.436,863 3.178,864 3.773,865 4.223,866 4.702,867 5.146,868 5.294,869 5.438,870 5.375,871 5.411,872 5.316,873 0.8,874 25,875 6.652,877 2.674,878 7.421,879 13.192,881 10.648,883 1.921,884 34.583,885 0.003,888 247.193,889 81.502,890 52.807,895 81.502,896 247.193,897 52.807,898 44.126,899 4.211,900 36.963,901 18.011,902 29.099,903 1.899,904 247.193,906 247.193,907 134.31,911 247.193,915 83.134,916 33.165,917 18.011,919 247.193,920 52.807,921 81.502,924 247.193,925 18.424,926 63.079,927 36.022,928 16.786,929 247.193,930 52.807,931 81.502,933 0.604,934 0.33,935 0.161,936 0.086,937 14,938 7,939 0.071,940 3,942 1,943 2.906,944 125.844,946 11,947 64.304,951 13.255,952 4.829,953 2.997,955 52.807,956 4.537,961 5.105,963 36.022,964 381.503,965 23,973 4.379,974 0.893,975 40.141,976 46.647,977 0.238,978 0.553,979 0.723,980 0.723,981 0.723,982 0.723,983 4.46,984 0.442,985 5.451,986 1.372,987 4.043,988 4.454,989 1.416,990 6.319,991 3.988,992 5.711,993 -0.347,994 7.067,995 1.148,996 4.007,997 4.511,998 0.623,999 7.591,1000 3.966,1001 7.061,1002 -0.681,1003 8.799,1004 -0.898,1005 5.771,1006 6.632,1007 1.529,1008 10.562,1009 5.686,1010 8.444,1011 -1,1012 10.596,1013 -1.839,1014 6.479,1015 7.398,1016 1.178,1017 12.577,1018 6.413,1019 9.853,1020 -1,1021 12.435,1022 -2.732,1023 7.836,1024 9.104,1025 1.785,1026 15.178,1027 7.746,1028 11.28,1029 -1,1030 14.302,1031 -3,1032 8.83,1033 10.183,1034 1.663,1035 17.46,1036 8.756,1037 12.72,1038 -1.52,1039 16.188,1040 -3,1041 10.061,1042 11.728,1043 2.114,1044 19.953,1045 9.978,1046 3.346,1047 -1.532,1048 18.089,1049 -3.628,1050 11.168,1051 12.964,1052 2.128,1053 22.336,1054 11.096,1055 2.933,1056 11.757,1057 20.001,1058 -4.372,1059 12.363,1060 14.438,1061 2.491,1062 24.797,1063 12.289,1064 2.456,1065 9.712,1066 21.921,1067 4.143,1068 13.517,1069 15.757,1070 2.589,1071 27.221,1072 13.449,1073 1.879,1074 6.906,1075 23.848,1076 3.427,1077 14.704,1078 17.199,1079 2.899,1080 29.675,1081 14.638,1082 1.607,1083 5.225,1084 25.78,1085 3.053,1086 15.879,1087 18.562,1088 3.051,1089 32.117,1090 15.817,1091 1.202,1092 4.845,1093 27.716,1094 2.481,1095 17.067,1096 19.991,1097 3.329,1098 34.571,1099 17.007,1100 0.618,1101 2.702,1102 29.657,1103 2.029,1104 18.252,1105 21.379,1106 3.513,1107 37.022,1108 18.196,1109 2562,1110 3531,1111 11.731,1112 25.631,1113 29.255,1114 29.604,1115 29.257,1116 28.846,1117 28.965,1118 35.079,1119 3.573,1120 87.337,1121 28.081,1122 5.439,1123 5.566,1124 6.741,1125 5.401,1126 5.346,1127 7.143,1128 2.232,1129 18.821,1130 5.342,1131 10.781,1132 1.54,1133 1.558,1134 1.54,1135 1.518,1136 1.524,1137 1.846,1138 0.188,1139 4.597,1140 1.478,1141 4.015,1142 4.05,1143 3.957,1144 3.952,1145 4.841,1146 3.948,1147 3.767,1148 3.843,1149 3.676,1150 3.558,1151 4.652,1152 3.574,1153 3.603,1154 3.668,1155 3.458,1156 3.475,1157 4.248,1158 3.466,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 3.966,1164 3.101,1165 2.978,1166 3.069,1167 2.823,1168 2.799,1169 3.736,1170 2.788,1171 2.92,1172 3.034,1173 2.65,1174 2.669,1175 3.583,1176 2.659,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.488,1182 2.57,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.239,1190 0.188,1191 0.375,1192 0.229,1193 0.176,1194 4.539,1195 0.218,1196 3.566,1197 0.066,1198 7.128,1199 0.619,1200 4.344,1201 0.176,1202 3.346,1203 4.143,1204 1.263,1205 11.757,1206 3.342,1207 1.987,1208 1.962,1209 2.107,1210 2.07,1211 1.321,1212 2.083,1213 1.646,1214 1.588,1215 1.883,1216 1.813,1217 1.049,1218 1.838,1219 1.445,1220 1.362,1221 1.73,1222 1.681,1223 1.004,1224 1.704,1225 1.303,1226 1.226,1227 1.639,1228 1.591,1229 0.719,1230 1.56,1231 1.288,1232 1.203,1233 1.44,1234 1.507,1235 0.469,1236 1.557,1237 0.979,1238 0.886,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.447,1248 1.308,1249 0.934,1250 0.804,1251 1.352,1252 1.214,1253 0.425,1254 1.268,1255 3.664,1257 5.017,1258 2.398,1259 6.541,1260 4.443,1261 8.148,1262 6.26,1263 9.801,1265 11.047,1271 1.793,1272 6.638,1277 0.192,1280 23.332,1281 52.259,1282 121.439,1283 158.866,1284 158.866,1285 158.866,1286 158.866,1287 24.223,1288 5.986,1289 36.42,1290 36.42,1291 11,1292 12.048,1293 3,1294 2.322,1295 30.934,1296 49,1297 40,1298 0.329,1299 148.542,1300 254.88,1301 354.203,1302 2296,1304 13.336,1305 0.741,1306 0.668,1307 13.336,1308 12.016,1309 8.376,1310 0.441,1311 0.345,1312 6.493,1313 8.179,1314 6.056,1315 5.183,1316 8.376,1317 6.548,1318 8.539,1319 0.305,1320 0.215,1321 8.539,1322 6.017,1323 6.079,1324 0.184,1325 0.1,1326 6.079,1327 3.316,1328 4.707,1329 0.118,1330 0.055,1331 4.707,1332 2.194,1333 3.52,1334 0.077,1335 0.032,1336 3.52,1337 1.466,1338 0.496,1339 51.573,1340 0.292,1341 17.854,1342 0.962,1343 94,1344 192.311,1345 99.662,1346 195.913,1347 276.59,1348 184,1349 108,1350 212.056,1351 113.69,1352 222.428,1353 319.64,1354 206,1355 9.523} {0 CHEMBL369798,1 1.45,2 10.167,3 4.349,4 18.913,5 102.666,6 7.094,7 0.556,8 3.958,9 4.078,10 3.552,11 3.565,12 4.892,13 3.492,14 4.538,15 4.718,16 3.888,17 3.988,18 5.37,19 3.884,20 4.749,21 4.98,22 3.803,23 4.074,24 5.489,25 3.919,26 4.821,27 5.068,28 3.771,29 4.078,30 5.542,31 3.905,32 4.843,33 5.123,34 3.67,35 4.009,36 5.524,37 3.826,38 4.682,39 4.939,40 3.698,41 3.946,42 5.389,43 3.774,44 4.651,45 4.908,46 3.58,47 3.885,48 5.382,49 3.711,50 4.579,51 4.847,52 3.361,53 3.729,54 5.308,55 3.541,56 0.05,57 0.682,58 11.564,59 4.951,60 8.024,61 6.538,62 0.195,63 1.17,64 22.904,65 8.597,66 15.78,67 11.232,68 0.245,69 1.395,70 28.587,71 10.898,72 18.132,73 14.775,74 0.195,75 1.442,76 31.011,77 12.078,78 20.018,79 16.186,80 0.301,81 1.431,82 32.145,83 11.902,84 24.59,85 16.082,86 0.173,87 1.263,88 26.759,89 10.3,90 18.037,91 14.171,92 0.166,93 1.249,94 27.721,95 10.147,96 18.903,97 13.55,98 0.256,99 1.124,100 25.203,101 8.779,102 21.57,103 12.131,104 4,105 37,106 0.247,107 0.599,108 0.822,109 0.892,110 0.892,111 0.892,112 3.229,113 1.066,114 -4.23,115 -4.17,116 -3.94,119 41.7,121 3,124 1,125 3,127 1,140 5,141 3,149 2,150 2,169 8,172 3,176 3,178 10,181 1,182 2,186 3,189 10,193 2,197 1,199 11,203 2,206 1,211 7,215 3,220 2,222 5,226 2,231 3,233 3,237 3,240 1,244 4,249 3,256 2,259 822,260 16.87,261 16.87,262 16.87,263 16.87,264 16.87,265 15.182,266 12.952,267 10.137,268 17.414,269 13.323,270 13.323,271 13.323,272 13.323,273 13.323,274 10.784,275 14.36,276 4.715,277 14.111,278 4.135,279 2.068,280 0.758,281 0.349,282 0.349,283 0.349,284 3.929,288 1,289 1,290 539,291 2.739,294 177.823,295 59.434,298 92.623,302 1.514,303 9.566,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 50,315 244,316 4.569,317 3.203,318 6.566,319 4.104,320 3.12,321 4.518,322 0.86,323 10.434,324 3.071,325 4.129,326 3.11,327 6.15,328 3.806,329 2.866,330 3.732,331 0.8,332 9.07,333 2.693,334 3.866,335 2.776,336 6.094,337 3.693,338 2.747,339 2.888,341 8.879,342 2.596,343 3.422,344 2.218,345 5.131,346 3.013,347 2.035,348 2.785,350 6.012,351 1.983,352 3.247,353 2.089,354 4.516,355 2.724,356 1.779,357 2.587,359 4.655,360 1.667,361 2.754,362 1.783,363 4.389,364 2.538,365 1.611,366 1.854,368 4.262,369 1.491,370 2.621,371 1.475,372 4.112,373 2.28,374 1.31,375 1.629,377 3.402,378 1.265,379 2.404,380 1.279,381 3.503,382 2.174,383 1.207,384 1.37,386 2.647,387 1.164,388 2.274,389 1.159,390 3.349,391 1.896,392 0.939,393 1.251,395 2.168,396 0.888,397 2.118,398 0.975,399 3.23,400 1.723,401 0.847,402 0.946,404 1.699,405 0.735,406 2.089,407 0.757,408 3.013,409 1.657,410 0.704,411 0.927,413 1.472,414 0.665,415 1.847,416 0.618,417 3,418 1.462,419 0.618,420 0.846,422 1.372,423 0.506,424 1.521,425 0.401,426 3,427 1.309,428 0.339,429 0.397,431 0.826,432 0.328,433 0.863,434 0.099,435 2.436,436 0.572,437 -0.364,438 -0.381,440 -0.652,441 -0.334,442 0.656,443 -0.318,444 2.273,445 0.385,446 -0.563,447 -0.688,449 -1.337,450 -0.528,451 11.967,452 0.499,453 0.41,454 0.017,455 27.25,456 1.135,457 12,458 0.5,459 15.25,460 0.635,461 21.962,462 0.915,463 25.833,464 0.538,465 16.434,466 0.685,467 5.081,468 0.212,469 6.767,470 0.282,471 0.042,473 0.284,479 0.936,480 1.212,481 0.809,482 0.978,483 0.844,484 0.968,485 1.586,486 0.991,487 0.996,488 0.865,489 1.223,490 0.906,491 0.884,492 0.997,493 1,494 0.984,495 0.754,496 1.042,497 0.929,498 1.057,499 0.943,500 1.017,501 0.928,502 1.047,503 1.187,504 0.769,505 0.82,506 0.752,507 1.116,508 0.842,509 0.729,510 1.004,511 0.769,512 0.89,513 0.839,514 0.943,515 0.802,516 1.136,517 1.074,518 1.099,519 0.861,520 1.033,521 1.043,522 1.002,523 1.024,524 1.026,525 1.154,526 1.068,527 3.5,528 0.061,529 2.889,530 1.076,531 0.793,532 0.635,533 0.359,534 0.157,535 0.149,536 0.127,537 6878,538 14753,539 2.187,540 50,542 15,543 2,545 1,547 6,550 1.668,551 2.118,552 3.323,553 -0.383,555 1,559 69.601,560 1.45,561 3.517,562 4.827,563 5.236,564 5.236,565 5.236,566 2.757,567 4.022,568 4.556,569 3.473,570 958.633,571 7.859,572 11340,574 1,576 1,577 268.078,578 1.099,579 4.546,580 0.13,581 0.004,582 0.078,583 0.033,584 0.026,585 0.023,586 0.013,587 0.006,588 0.008,589 0.007,590 0.327,591 0.67,592 1,593 0.764,594 114.478,595 0.024,596 -0.083,597 0.09,598 0.017,599 0.094,600 0.031,601 -0.217,602 0.099,603 -0.019,604 0.114,605 -0.132,606 0.056,607 -0.007,608 0.03,609 -0.087,610 -0.038,611 0.045,612 -0.07,613 -0.025,614 -0.093,615 -0.038,616 -0.07,617 0.005,618 -0.068,619 -0.061,620 0.166,621 0.062,622 0.148,623 -0.07,624 0.114,625 0.04,626 -0.049,627 0.108,628 0.042,629 0.007,630 0.038,631 0.003,632 -0.133,633 -0.068,634 -0.111,635 0.024,636 -0.054,637 0.035,638 -0.023,639 -0.105,640 -0.113,641 -0.081,642 -0.12,643 0.734,644 1.874,645 0.792,646 20.375,647 0.986,648 1.119,649 3,650 9,651 0.677,652 3.332,653 3.638,654 3.951,655 4.22,656 4.304,657 4.443,658 4.595,659 4.745,660 4.796,661 4.828,662 6.039,663 0.62,664 340.53,665 3.332,666 4.86,667 5.72,668 6.594,669 7.47,670 8.351,671 9.232,672 10.116,673 11,674 11.886,675 4.2,678 1,683 1,687 2,688 7,690 1,692 1,693 3,695 15,714 48,716 15,717 1,718 27,720 51,721 20,722 12,723 3,724 3,730 4,731 5,740 3,743 4,745 12,746 8,761 1,764 24,765 2,766 1,767 4,768 1,773 2,777 0.75,778 1,788 1,789 1,792 3,793 1,796 1,815 1,818 1,819 3,821 1,823 1,827 24,833 6,835 1,837 1,838 1,842 1,847 2.1,851 1,854 11.333,855 8.7,856 5.361,857 2.989,858 2.79,859 1.378,860 1.01,861 4.902,862 10.17,863 3.57,864 4.151,865 4.779,866 5.388,867 5.796,868 6.246,869 6.726,870 7.176,871 7.384,872 7.619,873 0.857,874 33,875 8.899,877 3.739,878 7.354,879 17.907,881 15.246,883 1.854,884 44.5,885 0.001,887 1,888 270.735,889 135.093,890 19.91,892 11,894 31.278,895 103.815,896 281.735,897 19.91,898 10.883,899 16.407,900 64.078,901 11,902 28.854,903 27.045,904 278.471,906 270.735,907 123.725,908 11,909 31.278,911 200.109,912 70.627,913 11,915 36.317,916 87.407,918 31.278,919 270.735,920 30.91,921 135.093,924 270.735,925 60.132,926 78.085,927 16.786,928 11,929 270.735,930 30.91,931 135.093,933 0.569,934 0.344,935 0.194,936 0.089,937 19,938 7,939 0.118,940 6,941 1,942 1.105,943 3.765,944 196.773,945 0.105,946 19,947 110.039,948 1,951 16.16,952 7.28,953 3.408,954 2.601,955 14.124,956 15.388,958 3.433,960 1.8,961 4.076,963 16.786,964 436.738,965 34.5,975 47.327,976 53.693,977 0.26,978 0.63,979 0.864,980 0.938,981 0.938,982 0.938,983 4.794,984 1.207,985 5.68,986 3.402,987 4.317,988 4.836,989 1.235,990 6.485,991 4.222,992 5.968,993 0.939,994 7.228,995 2.647,996 3.761,997 4.543,998 0.325,999 7.368,1000 3.647,1001 7.26,1002 0.847,1003 8.879,1004 2.168,1005 5.894,1006 7.04,1007 0.938,1008 10.475,1009 5.729,1010 8.598,1011 0.704,1012 10.595,1013 1.699,1014 6.275,1015 7.733,1016 0.268,1017 12.229,1018 6.082,1019 9.975,1020 0.618,1021 12.351,1022 1.472,1023 7.777,1024 9.608,1025 0.732,1026 14.803,1027 7.553,1028 11.38,1029 0.339,1030 14.135,1031 1.372,1032 8.564,1033 10.741,1034 0.188,1035 16.884,1036 8.311,1037 12.804,1038 -0.364,1039 15.938,1040 0.826,1041 9.824,1042 12.383,1043 0.57,1044 19.285,1045 9.549,1046 3.12,1047 -0.563,1048 17.753,1049 -0.652,1050 10.789,1051 13.718,1052 0.125,1053 21.498,1054 10.49,1055 2.866,1056 10.434,1057 19.577,1058 -1.337,1059 11.955,1060 15.27,1061 0.438,1062 23.84,1063 11.637,1064 2.747,1065 9.07,1066 21.409,1067 4.518,1068 12.999,1069 16.696,1070 0.082,1071 26.11,1072 12.661,1073 2.035,1074 8.879,1075 23.246,1076 3.732,1077 14.128,1078 18.214,1079 0.334,1080 28.434,1081 13.775,1082 1.779,1083 6.012,1084 25.087,1085 2.888,1086 15.208,1087 19.681,1088 0.054,1089 30.732,1090 14.839,1091 1.611,1092 4.655,1093 26.931,1094 2.785,1095 16.325,1096 21.188,1097 0.252,1098 33.053,1099 15.942,1100 1.31,1101 4.262,1102 28.779,1103 2.587,1104 17.423,1105 22.675,1106 0.035,1107 35.366,1108 17.027,1109 6463,1110 9574,1111 18.781,1112 32.489,1113 40.5,1114 40.22,1115 40.845,1116 40.201,1117 40.244,1118 51.459,1119 3.32,1120 113.796,1121 38.108,1122 5.521,1123 5.203,1124 6.337,1125 5.176,1126 5.12,1127 7.518,1128 1.72,1129 17.111,1130 5.071,1131 6.586,1132 1.5,1133 1.49,1134 1.513,1135 1.489,1136 1.491,1137 1.906,1138 0.123,1139 4.215,1140 1.411,1141 4.148,1142 4.178,1143 4.253,1144 4.093,1145 4.972,1146 4.082,1147 3.885,1148 3.946,1149 4.033,1150 3.848,1151 4.659,1152 3.78,1153 3.816,1154 3.83,1155 3.765,1156 3.72,1157 4.643,1158 3.719,1159 3.441,1160 3.495,1161 3.335,1162 3.343,1163 4.283,1164 3.325,1165 3.366,1166 3.424,1167 3.192,1168 3.097,1169 4.189,1170 3.106,1171 3.219,1172 3.298,1173 3.07,1174 3.037,1175 3.84,1176 3.034,1177 2.964,1178 3.072,1179 2.77,1180 2.782,1181 3.601,1182 2.771,1183 2.905,1184 2.972,1185 2.684,1186 2.755,1187 3.388,1188 2.722,1189 0.169,1190 0.119,1191 0.243,1192 0.152,1193 0.116,1194 4.569,1195 0.167,1196 3.203,1197 0.032,1198 6.566,1199 0.386,1200 4.104,1201 0.114,1202 3.12,1203 4.518,1204 0.86,1205 10.434,1206 3.071,1207 1.962,1208 1.945,1209 2.036,1210 2.024,1211 1.289,1212 2.031,1213 1.701,1214 1.644,1215 1.897,1216 1.902,1217 1.245,1218 1.903,1219 1.618,1220 1.56,1221 1.869,1222 1.8,1223 1.138,1224 1.825,1225 1.479,1226 1.43,1227 1.702,1228 1.697,1229 0.947,1230 1.704,1231 1.466,1232 1.408,1233 1.64,1234 1.584,1235 0.694,1236 1.606,1237 1.326,1238 1.327,1239 1.559,1240 1.526,1241 0.608,1242 1.545,1243 1.207,1244 1.136,1245 1.423,1246 1.378,1247 0.578,1248 1.427,1249 1.042,1250 0.958,1251 1.211,1252 1.195,1253 0.515,1254 1.271,1255 4.007,1257 5.313,1258 3.434,1259 6.804,1260 5.687,1261 8.383,1262 7.678,1263 10.013,1265 1.808,1271 6.834,1273 5.374,1275 0.599,1276 2.589,1280 29.74,1281 69.601,1282 168.817,1283 231.714,1284 251.323,1285 251.323,1286 251.323,1287 27.53,1288 7.38,1289 28.26,1290 56.5,1291 21,1292 12.418,1293 4,1294 3.087,1295 33.909,1296 86,1297 91,1298 0.191,1299 184.195,1300 305.88,1301 441.196,1302 16244,1304 16.355,1305 0.681,1306 0.623,1307 16.709,1308 14.942,1309 11.848,1310 0.439,1311 0.355,1312 8.7,1313 11.029,1314 8.393,1315 6.93,1316 12.302,1317 9.598,1318 10.196,1319 0.276,1320 0.204,1321 10.779,1322 7.537,1323 9.053,1324 0.178,1325 0.118,1326 9.734,1327 6.019,1328 7.768,1329 0.116,1330 0.068,1331 8.413,1332 4.54,1333 5.413,1334 0.074,1335 0.036,1336 5.745,1337 2.638,1338 0.3,1339 77.863,1340 0.231,1341 23.503,1342 0.523,1343 128,1344 290.574,1345 156.632,1346 304.444,1347 425.93,1348 290,1349 152,1350 297.564,1351 177.583,1352 321.55,1353 470.66,1354 302,1355 8.745} {0 CHEMBL370128,1 1.589,2 13.161,3 3.549,4 12.596,5 125.906,6 7.279,7 0.353,8 4.203,9 4.336,10 3.757,11 3.68,12 5.203,13 3.655,14 4.787,15 4.995,16 4.117,17 4.083,18 5.728,19 4.037,20 5.039,21 5.26,22 4.238,23 4.299,24 5.946,25 4.21,26 5.152,27 5.386,28 4.179,29 4.333,30 6.061,31 4.206,32 5.182,33 5.441,34 4.098,35 4.281,36 6.084,37 4.148,38 5.038,39 5.281,40 3.969,41 4.181,42 5.916,43 4.044,44 4.989,45 5.264,46 3.881,47 4.058,48 5.871,49 3.922,50 4.906,51 5.18,52 3.894,53 3.894,54 5.917,55 3.811,56 0.011,57 0.914,58 13.611,59 5.231,60 8.03,61 7.522,62 0.413,63 1.458,64 27.762,65 8.186,66 28.353,67 12.362,68 0.464,69 1.765,70 37.564,71 11.76,72 32.59,73 17.216,74 0.358,75 1.816,76 43.244,77 14.341,78 48.731,79 20.379,80 0.692,81 1.756,82 48.59,83 13.956,84 66.912,85 20.094,86 0.526,87 1.605,88 40.279,89 12.37,90 44.049,91 17.957,92 0.428,93 1.511,94 35.454,95 11.335,96 45.371,97 17.114,98 0.582,99 1.31,100 35.494,101 8.917,102 66.422,103 13.554,104 18,105 47,106 0.258,107 0.509,108 0.653,109 0.771,110 0.832,111 0.832,112 3.472,113 0.979,114 -3.51,115 -3.48,116 -3.33,119 37.7,124 2,125 8,140 7,142 5,157 1,169 4,171 1,172 3,174 2,176 2,178 4,181 3,182 6,186 1,189 4,193 6,195 1,199 1,202 1,203 4,206 2,214 3,215 4,225 2,226 5,229 1,231 1,237 4,242 3,248 3,249 1,254 1,256 2,259 1624,260 21.093,261 21.093,262 21.093,263 21.093,264 21.093,265 19.484,266 32.521,267 12.367,268 21.864,269 16.691,270 16.691,271 16.691,272 16.691,273 16.691,274 14.192,275 48.758,276 5.767,277 17.87,278 4.342,279 2.802,280 1.913,281 1.189,282 0.812,283 0.812,284 4.168,285 1,288 1,289 1,290 883,291 3.082,295 444.116,302 2.037,303 23.532,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 66.833,315 408,316 4.354,317 3.692,318 6.521,319 4.008,320 3.06,321 3.963,322 1.701,323 10.27,324 2.899,325 4.273,326 3.317,327 6.451,328 3.933,329 3.005,330 3.839,331 0.86,332 9.941,333 2.772,334 3.971,335 3.299,336 6.044,337 3.714,338 2.772,339 3.178,340 0.8,341 8.662,342 2.595,343 3.593,344 2.781,345 5.354,346 3.398,347 2.466,348 2.8,349 0.8,350 6.89,351 2.297,352 3.434,353 2.652,354 5.215,355 3.178,356 2.243,357 2.53,358 0.8,359 6.425,360 2.09,361 3.279,362 2.418,363 5.062,364 2.97,365 2.046,366 2.422,367 0.563,368 5.792,369 1.875,370 3.101,371 2.398,372 4.923,373 2.869,374 1.96,375 2.18,376 0.075,377 5.602,378 1.777,379 2.862,380 2.156,381 4.144,382 2.376,383 1.414,384 2.015,386 3.593,387 1.358,388 2.717,389 1.616,390 3.978,391 2.333,392 1.375,393 1.736,395 3.088,396 1.236,397 2.468,398 1.335,399 3.838,400 2.109,401 1.137,402 1.46,404 3.022,405 1.103,406 2.329,407 1.209,408 3.579,409 1.995,410 1.026,411 1.262,413 2.651,414 0.988,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.794,434 1.095,435 3.017,436 1.512,437 0.626,438 0.703,440 1.105,441 0.547,442 1.144,443 0.54,444 2.754,445 0.839,446 -0.063,447 -0.071,449 -0.133,450 -0.05,451 14.881,452 0.48,453 0.712,454 0.023,455 37,456 1.194,457 15.5,458 0.5,459 21.5,460 0.694,461 29.037,462 0.937,463 34.919,464 0.572,465 28.587,466 0.922,467 7.504,468 0.242,469 7.542,470 0.243,471 0.138,473 0.309,479 0.817,480 1.713,481 0.708,482 1.22,483 0.566,484 1.071,485 1.13,486 1.044,487 0.815,488 0.778,489 0.589,490 0.826,491 0.982,492 1.023,493 0.954,494 0.995,495 0.82,496 1.017,497 1.022,498 1.183,499 0.993,500 1.153,501 1.246,502 1.125,503 1.252,504 0.868,505 1.126,506 0.928,507 1.475,508 0.947,509 0.978,510 1.107,511 1.11,512 1.168,513 0.971,514 1.149,515 0.629,516 1.095,517 0.681,518 1,519 0.761,520 0.979,521 1.393,522 0.882,523 0.756,524 0.753,525 1.691,526 0.749,527 6,528 0.136,529 4,530 2.063,531 1.64,532 1,533 0.765,534 0.62,535 0.287,536 0.168,537 13958,538 34623,539 2.084,540 49.2,542 29,545 1,550 1.734,551 1.958,552 3.652,553 -0.329,555 1,559 96.917,560 1.589,561 3.129,562 4.018,563 4.742,564 5.119,565 5.119,566 3.112,567 4.632,568 4.926,569 3.84,570 1785.7,571 8.588,572 26143.1,574 1,577 361.775,578 1.383,579 4.888,580 0.176,581 0.005,582 0.085,583 0.041,584 0.036,585 0.024,586 0.021,587 0.018,588 0.009,589 0.006,590 0.422,591 0.5,592 1,593 0.701,594 163.08,595 -0.016,596 -0.411,597 0.053,598 -0.159,599 0.003,600 -0.054,601 -0.056,602 0.145,603 0.032,604 0.159,605 0.07,606 0.11,607 -0.027,608 0.092,609 -0.043,610 -0.014,611 -0.005,612 -0.045,613 -0.057,614 -0.184,615 -0.053,616 -0.143,617 -0.063,618 -0.125,619 -0.081,620 0.075,621 -0.067,622 0.046,623 -0.133,624 0.022,625 0.019,626 -0.116,627 -0.135,628 -0.173,629 -0.067,630 -0.161,631 0.192,632 -0.134,633 0.102,634 -0.066,635 0.148,636 -0.007,637 -0.034,638 0.053,639 0.147,640 0.125,641 0.102,642 0.16,643 1.742,644 5.881,645 0.774,646 34.142,647 1,648 1.135,649 2.277,650 5.186,651 0.651,652 3.555,653 3.871,654 4.143,655 4.369,656 4.605,657 4.625,658 4.754,659 4.836,660 4.828,661 4.89,662 7.652,663 0.61,664 444.03,665 3.555,666 5.094,667 5.943,668 6.812,669 7.676,670 8.548,671 9.416,672 10.29,673 11.16,674 12.034,675 8.2,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 1,713 1,714 61,716 13,717 2,718 34,720 64,721 23,722 12,723 5,724 7,730 4,731 4,732 1,735 1,745 13,746 10,750 1,755 1,759 1,761 1,764 30,765 7,766 1,767 8,768 1,773 5,777 1,778 2,793 4,815 1,819 4,823 2,824 1,827 31,833 8,834 1,835 1,838 4,846 1,847 3.3,850 1,852 1,854 15.833,855 11.36,856 6.889,857 3.63,858 2.13,859 1.275,860 0.976,861 7.353,862 9.866,863 3.738,864 4.248,865 4.736,866 5.2,867 5.66,868 5.728,869 5.976,870 6.17,871 6.243,872 6.427,873 0.889,874 50,875 11.496,877 4.798,878 7.6,879 22.41,881 18.362,883 2.1,884 65.111,887 1,888 341.362,889 123.749,890 30.508,891 39.149,892 36.145,895 123.749,896 416.655,897 30.508,898 19.279,899 37.981,900 66.334,901 25.145,902 37.387,903 4.276,904 341.362,905 39.149,906 341.362,907 154.257,908 36.145,909 39.149,911 341.362,912 36.145,915 41.105,916 113.152,917 39.149,919 341.362,920 66.653,921 162.898,924 341.362,925 38.136,926 98.11,927 18.011,928 75.293,929 341.362,930 66.653,931 162.898,933 0.58,934 0.345,935 0.183,936 0.101,937 22,938 10,939 0.063,940 4,942 1,943 4.26,944 275.085,946 24,947 143.58,951 22.366,952 10.191,953 5.328,955 66.653,956 13.687,961 4.41,963 18.011,964 570.912,965 41,970 12.881,974 -0.076,975 60.974,976 69.252,977 0.268,978 0.528,979 0.678,980 0.8,981 0.863,982 0.863,983 4.99,984 1.414,985 5.922,986 5.602,987 4.554,988 4.934,989 2.379,990 6.718,991 4.422,992 6.152,993 1.375,994 7.475,995 3.593,996 4.111,997 4.649,998 1.577,999 7.6,1000 3.866,1001 7.435,1002 1.137,1003 9.127,1004 3.088,1005 6.138,1006 6.979,1007 2.694,1008 10.678,1009 5.877,1010 8.749,1011 1.026,1012 10.837,1013 3.022,1014 6.509,1015 7.505,1016 2.548,1017 12.385,1018 6.135,1019 10.096,1020 1,1021 12.584,1022 2.651,1023 7.994,1024 9.336,1025 3.441,1026 14.972,1027 7.603,1028 11.465,1029 1,1030 14.358,1031 2.275,1032 8.742,1033 10.247,1034 3.624,1035 17.02,1036 8.249,1037 12.852,1038 0.626,1039 16.15,1040 2.275,1041 10.002,1042 11.862,1043 4.372,1044 19.433,1045 9.48,1046 3.06,1047 -0.063,1048 17.956,1049 1.105,1050 10.932,1051 12.971,1052 4.72,1053 21.628,1054 10.32,1055 3.005,1056 10.27,1057 19.773,1058 -0.133,1059 12.095,1060 14.476,1061 5.376,1062 23.975,1063 11.443,1064 2.772,1065 9.941,1066 21.598,1067 3.963,1068 13.113,1069 15.694,1070 5.809,1071 26.235,1072 12.381,1073 2.466,1074 8.662,1075 23.431,1076 3.839,1077 14.236,1078 17.14,1079 6.41,1080 28.558,1081 13.456,1082 2.243,1083 6.89,1084 25.269,1085 3.178,1086 15.297,1087 18.418,1088 6.887,1089 30.847,1090 14.444,1091 2.046,1092 6.425,1093 27.111,1094 2.8,1095 16.405,1096 19.831,1097 7.458,1098 33.162,1099 15.498,1100 1.96,1101 5.792,1102 28.957,1103 2.53,1104 17.486,1105 21.145,1106 7.96,1107 35.463,1108 16.513,1109 13236,1110 21006,1111 22.77,1112 39.694,1113 50.584,1114 51.786,1115 52.498,1116 50.468,1117 50.261,1118 60.177,1119 11.2,1120 143.18,1121 46.932,1122 5.354,1123 5.692,1124 6.206,1125 5.075,1126 5.06,1127 6.963,1128 2.972,1129 16.994,1130 4.899,1131 14.985,1132 1.488,1133 1.523,1134 1.544,1135 1.484,1136 1.478,1137 1.77,1138 0.329,1139 4.211,1140 1.38,1141 4.005,1142 4.05,1143 4.026,1144 3.889,1145 7.429,1146 3.895,1147 3.931,1148 3.971,1149 3.923,1150 3.842,1151 4.939,1152 3.844,1153 3.765,1154 3.827,1155 3.69,1156 3.567,1157 4.86,1158 3.58,1159 3.711,1160 3.766,1161 3.614,1162 3.543,1163 4.426,1164 3.549,1165 3.358,1166 3.41,1167 3.311,1168 3.075,1169 4.36,1170 3.119,1171 3.211,1172 3.303,1173 3.26,1174 2.941,1175 4.349,1176 2.94,1177 3.166,1178 3.243,1179 3.03,1180 2.941,1181 4.254,1182 2.923,1183 3.111,1184 3.206,1185 3.007,1186 2.94,1187 3.888,1188 2.91,1189 0.128,1190 0.109,1191 0.192,1192 0.118,1193 0.09,1194 4.354,1195 0.117,1196 3.692,1197 0.05,1198 6.521,1199 0.302,1200 4.008,1201 0.085,1202 3.06,1203 3.963,1204 1.701,1205 10.27,1206 2.899,1207 1.922,1208 1.89,1209 2.038,1210 2.078,1211 1.306,1212 2.07,1213 1.904,1214 1.874,1215 2.02,1216 2.043,1217 1.293,1218 2.042,1219 1.718,1220 1.65,1221 1.907,1222 1.917,1223 1.052,1224 1.918,1225 1.679,1226 1.616,1227 1.87,1228 1.854,1229 1.02,1230 1.864,1231 1.244,1232 1.186,1233 1.573,1234 1.562,1235 0.825,1236 1.554,1237 1.174,1238 1.074,1239 1.54,1240 1.475,1241 0.825,1242 1.497,1243 1.153,1244 1.064,1245 1.513,1246 1.399,1247 0.641,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.576,1254 1.429,1255 4.234,1257 5.549,1259 7.067,1261 8.671,1263 10.317,1265 3.822,1266 6.324,1271 6.711,1272 3.067,1273 5.57,1276 8.714,1280 37.212,1281 96.917,1282 190.855,1283 245.104,1284 289.246,1285 312.265,1286 312.265,1287 50.328,1288 7.736,1289 51.29,1290 51.29,1291 24,1292 12.575,1293 3.807,1294 3,1295 49.635,1296 144,1297 130,1298 0.167,1299 231.626,1300 404.53,1301 556.927,1302 26222,1303 1.6,1304 21.794,1305 0.703,1306 0.611,1307 22.294,1308 18.938,1309 15.046,1310 0.443,1311 0.326,1312 10.554,1313 14.063,1314 10.247,1315 8.452,1316 15.335,1317 11.097,1318 13.345,1319 0.284,1320 0.18,1321 13.715,1322 8.44,1323 11.457,1324 0.185,1325 0.102,1326 11.815,1327 6.354,1328 9.277,1329 0.119,1330 0.056,1331 9.599,1332 4.379,1333 7.601,1334 0.077,1335 0.032,1336 7.828,1337 3.137,1338 0.268,1339 97.974,1340 0.21,1341 29.476,1342 0.443,1343 162,1344 448.588,1345 193.824,1346 457.629,1347 617.01,1348 430,1349 190,1350 428.509,1351 220.008,1352 443.505,1353 648.72,1354 415,1355 7.46} {0 CHEMBL370214,1 1.77,2 11.824,3 5.268,4 27.755,5 127.254,6 8.016,7 0.324,8 4.233,9 4.354,10 3.848,11 3.712,12 5.325,13 3.709,14 4.84,15 5.028,16 4.326,17 4.133,18 6.268,19 4.121,20 5.065,21 5.26,22 4.442,23 4.358,24 6.156,25 4.312,26 5.261,27 5.473,28 4.524,29 4.417,30 6.48,31 4.348,32 5.298,33 5.558,34 4.327,35 4.329,36 6.39,37 4.246,38 5.137,39 5.37,40 4.249,41 4.292,42 6.171,43 4.217,44 5.163,45 5.381,46 4.317,47 4.336,48 6.426,49 4.233,50 5.161,51 5.414,52 4.139,53 4.26,54 6.137,55 4.147,56 0.147,57 1.101,58 11.79,59 5.74,60 21.466,61 7.186,62 1.116,63 2.088,64 27.788,65 9.435,66 151.174,67 12.361,68 0.681,69 2.089,70 34.534,71 12.388,72 51.236,73 16.444,74 1.161,75 2.24,76 51.277,77 15.943,78 130.955,79 20.362,80 1.39,81 2.141,82 52.653,83 15.035,84 136.792,85 21.229,86 0.995,87 1.955,88 40.563,89 13.559,90 99.666,91 18.016,92 1.401,93 1.907,94 43.154,95 14.294,96 170.663,97 19.582,98 0.887,99 1.908,100 45.553,101 14.111,102 99.146,103 19.499,104 86,105 56,106 0.287,107 0.595,108 0.79,109 0.835,110 0.835,111 0.835,112 3.561,113 0.933,114 -4.78,115 -4.69,116 -4.41,119 38.7,120 2,121 1,124 2,125 3,127 2,131 1,140 5,141 2,142 5,157 1,169 5,171 1,172 7,174 2,176 1,178 5,181 2,182 6,186 3,189 5,192 1,193 7,197 4,199 2,202 1,203 9,208 1,211 2,214 2,215 5,218 1,222 5,225 2,226 3,229 1,233 12,237 2,244 8,248 1,249 6,252 1,254 2,256 1,259 2022,260 21.996,261 21.996,262 21.996,263 21.996,264 21.996,265 20.425,266 34.759,267 12.245,268 22.856,269 18.113,270 18.113,271 18.113,272 18.113,273 18.113,274 15.527,275 51.701,276 5.659,277 19.542,278 4.184,279 2.284,280 1.079,281 0.803,282 0.803,283 0.803,284 4.245,285 1,289 1,290 850,291 4.123,294 80.062,295 314.838,298 142.815,302 1.855,303 53.698,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 76.833,315 402,316 4.582,317 4.476,318 7.265,319 4.266,320 3.393,321 4.153,322 3.825,323 12.29,324 3.102,325 4.515,326 3.758,327 6.761,328 4.192,329 3.237,330 4.117,331 1.701,332 11.097,333 2.962,334 4.131,335 3.391,336 6.487,337 3.958,338 3.021,339 3.394,340 0.86,341 10.085,342 2.828,343 3.951,344 3.186,345 6.224,346 3.711,347 2.778,348 3.167,349 0.8,350 8.981,351 2.589,352 3.853,353 3.115,354 6.068,355 3.555,356 2.652,357 2.943,358 0.8,359 8.623,360 2.379,361 3.546,362 2.873,363 5.604,364 3.212,365 2.253,366 2.754,367 0.563,368 7.185,369 2.125,370 3.183,371 2.449,372 5.162,373 2.873,374 1.954,375 2.336,376 0.075,377 5.944,378 1.833,379 2.896,380 1.982,381 4.879,382 2.856,383 1.879,384 2.046,386 5.225,387 1.784,388 2.879,389 1.979,390 4.798,391 2.522,392 1.595,393 1.958,395 4.925,396 1.469,397 2.849,398 1.904,399 4.521,400 2.426,401 1.459,402 1.879,404 4.304,405 1.393,406 2.72,407 1.683,408 4.017,409 2.35,410 1.414,411 1.749,413 3.176,414 1.251,415 2.332,416 1.572,417 3.851,418 2.074,419 1.101,420 1.267,422 2.915,423 1.06,424 1.972,425 1.176,426 3.739,427 1.788,428 0.853,429 0.923,431 2.222,432 0.79,433 1.515,434 0.916,435 3.11,436 1.322,437 0.37,438 0.413,440 0.865,441 0.349,442 1.431,443 0.81,444 3.016,445 1.253,446 0.368,447 0.377,449 0.64,450 0.321,451 15.838,452 0.466,453 1.252,454 0.037,455 38.5,456 1.132,457 15.5,458 0.456,459 23,460 0.676,461 37.327,462 1.098,463 39.362,464 0.635,465 34.661,466 1.019,467 7.573,468 0.223,469 8.434,470 0.248,471 0.247,472 0.032,473 0.391,476 3,479 0.625,480 1.241,481 0.631,482 1.172,483 0.56,484 1.033,485 0.587,486 0.78,487 0.637,488 0.764,489 0.353,490 0.774,491 0.681,492 0.931,493 0.809,494 1.001,495 0.515,496 1,497 0.783,498 1.051,499 1.004,500 1.249,501 0.737,502 1.168,503 0.737,504 0.71,505 0.74,506 0.852,507 0.67,508 0.87,509 0.834,510 0.794,511 0.79,512 0.873,513 0.756,514 0.933,515 0.491,516 0.688,517 0.916,518 1.021,519 0.369,520 1.109,521 0.722,522 0.832,523 0.94,524 1.008,525 0.634,526 1.031,527 9,528 0.236,529 5.556,530 3.507,531 2.645,532 1.597,533 1.217,534 0.717,535 0.624,536 0.407,537 15270,538 48537,539 1.984,540 45.2,542 19,545 1,547 8,550 1.763,551 1.782,552 3.529,553 -0.304,559 109.76,560 1.77,561 3.67,562 4.875,563 5.151,564 5.151,565 5.151,566 2.938,567 4.712,568 5.061,569 3.721,570 2087.59,571 8.888,572 31198.6,577 369.16,578 1.714,579 4.969,580 0.243,581 0.008,582 0.099,583 0.057,584 0.046,585 0.031,586 0.024,587 0.014,588 0.015,589 0.011,590 0.548,591 0.5,592 0.88,593 0.898,594 180.606,595 -0.037,596 -0.2,597 0.032,598 -0.107,599 -0.067,600 -0.03,601 0.27,602 0.256,603 0.16,604 0.203,605 0.39,606 0.175,607 -0.03,608 -0.051,609 0.022,610 -0.019,611 0.025,612 -0.018,613 0.043,614 -0.155,615 0.005,616 -0.239,617 0.058,618 -0.166,619 0.062,620 0.032,621 0.131,622 0.062,623 0.049,624 0.113,625 -0.051,626 0.047,627 0.017,628 0.077,629 -0.05,630 0.053,631 0.238,632 0.083,633 -0.01,634 -0.04,635 0.255,636 -0.105,637 -0.045,638 -0.111,639 -0.011,640 -0.051,641 -0.018,642 -0.017,643 5.861,644 6.103,645 0.618,646 34.145,647 1.021,648 1.148,649 3.549,650 12.599,651 0.649,652 3.638,653 4.043,654 4.331,655 4.595,656 4.812,657 4.956,658 5.124,659 5.242,660 5.342,661 5.447,662 7.199,663 0.627,664 497.01,665 3.638,666 5.231,667 6.107,668 7.022,669 7.915,670 8.83,671 9.729,672 10.644,673 11.547,674 12.462,675 6.5,678 1,681 1,682 2,688 5,693 7,695 12,709 1,712 1,713 1,714 62,716 13,717 2,718 37,720 65,721 24,722 12,723 7,724 5,730 4,731 5,732 1,735 1,736 3,740 3,742 1,743 3,745 13,746 11,750 1,755 1,759 1,762 3,764 28,765 9,766 1,767 10,768 1,773 4,777 0.75,778 2,792 1,793 3,796 1,815 1,819 3,823 4,824 1,825 3,827 34,833 4,834 1,835 1,837 2,838 3,839 1,846 4,847 3.2,850 1,852 1,854 19.083,855 12.338,856 7.25,857 3.711,858 2.269,859 1.278,860 0.964,861 7.074,862 10.442,863 3.807,864 4.394,865 4.92,866 5.437,867 5.927,868 6.17,869 6.486,870 6.701,871 6.895,872 7.149,873 0.875,874 61,875 13.21,877 6.248,878 8.099,879 23.673,881 19.812,883 2.599,884 88.361,888 317.82,889 128.583,890 27.384,891 39.149,892 36.145,893 44.88,895 128.583,896 393.113,897 72.264,898 36.93,899 29.987,900 47.381,901 25.145,902 85.514,903 4.276,904 317.82,905 46.908,906 317.82,907 155.967,908 81.025,909 39.149,911 223.651,912 175.194,915 58.521,916 97.446,917 39.149,919 362.7,920 63.529,921 167.732,924 325.579,925 36.513,926 93.684,927 18.011,928 120.174,929 317.82,930 108.409,931 167.732,933 0.606,934 0.363,935 0.187,936 0.098,937 28,938 15,939 0.046,940 3,941 1,942 1.095,943 4.174,944 332.096,945 0.095,946 21,947 162.219,951 25.116,952 9.576,953 4.902,955 108.409,956 7.363,961 1.704,963 18.011,964 593.961,965 44,970 13.103,974 -0.531,975 63.294,976 71.188,977 0.297,978 0.616,979 0.819,980 0.865,981 0.865,982 0.865,983 5.124,984 1.879,985 6.168,986 5.944,987 4.727,988 5.081,989 3.39,990 7.072,991 4.583,992 6.354,993 1.595,994 7.803,995 5.225,996 4.635,997 5.085,998 3.971,999 8.263,1000 4.344,1001 7.694,1002 1.459,1003 9.541,1004 4.925,1005 6.463,1006 7.225,1007 5.478,1008 11.33,1009 6.166,1010 9.066,1011 1.414,1012 11.336,1013 4.304,1014 7.124,1015 7.975,1016 6.704,1017 13.276,1018 6.675,1019 10.467,1020 1.101,1021 13.168,1022 3.176,1023 8.512,1024 9.692,1025 8.067,1026 15.929,1027 8.04,1028 11.889,1029 0.853,1030 15.023,1031 2.915,1032 9.478,1033 10.772,1034 9.392,1035 18.175,1036 8.871,1037 13.327,1038 0.37,1039 16.897,1040 2.222,1041 10.722,1042 12.327,1043 10.736,1044 20.699,1045 10.066,1046 3.393,1047 0.368,1048 18.784,1049 0.865,1050 11.813,1051 13.569,1052 12.075,1053 23.073,1054 11.042,1055 3.237,1056 12.29,1057 20.683,1058 0.64,1059 13.011,1060 15.052,1061 13.417,1062 25.558,1063 12.174,1064 3.021,1065 11.097,1066 22.59,1067 4.153,1068 14.156,1069 16.376,1070 14.758,1071 27.989,1072 13.215,1073 2.778,1074 10.085,1075 24.506,1076 4.117,1077 15.343,1078 17.826,1079 16.1,1080 30.466,1081 14.324,1082 2.652,1083 8.981,1084 26.428,1085 3.394,1086 16.512,1087 19.193,1088 17.441,1089 32.925,1090 15.397,1091 2.253,1092 8.623,1093 28.356,1094 3.167,1095 17.699,1096 20.627,1097 18.783,1098 35.404,1099 16.499,1100 1.954,1101 7.185,1102 30.289,1103 2.943,1104 18.882,1105 22.017,1106 20.124,1107 37.879,1108 17.588,1109 14893,1110 27067,1111 23.293,1112 40.262,1113 57.453,1114 58.155,1115 60.217,1116 57.16,1117 56.935,1118 67.287,1119 17.25,1120 177.595,1121 52.677,1122 5.582,1123 6.476,1124 6.787,1125 5.334,1126 5.393,1127 7.153,1128 5.335,1129 20.012,1130 5.102,1131 23.45,1132 1.553,1133 1.572,1134 1.627,1135 1.545,1136 1.539,1137 1.819,1138 0.466,1139 4.8,1140 1.424,1141 4.061,1142 4.098,1143 4.068,1144 3.954,1145 8.513,1146 3.963,1147 3.935,1148 3.96,1149 3.98,1150 3.862,1151 7.999,1152 3.863,1153 3.843,1154 3.905,1155 3.74,1156 3.672,1157 7.999,1158 3.679,1159 3.529,1160 3.571,1161 3.478,1162 3.315,1163 7.429,1164 3.339,1165 3.367,1166 3.452,1167 3.387,1168 3.217,1169 4.906,1170 3.19,1171 3.36,1172 3.412,1173 3.28,1174 3.083,1175 4.847,1176 3.129,1177 3.226,1178 3.311,1179 3.151,1180 2.968,1181 4.444,1182 2.994,1183 3.209,1184 3.258,1185 3.139,1186 2.93,1187 4.399,1188 2.943,1189 0.124,1190 0.121,1191 0.196,1192 0.115,1193 0.092,1194 4.582,1195 0.112,1196 4.476,1197 0.103,1198 7.265,1199 0.332,1200 4.266,1201 0.084,1202 3.393,1203 4.153,1204 3.825,1205 12.29,1206 3.102,1207 1.927,1208 1.898,1209 2.055,1210 2.079,1211 1.36,1212 2.075,1213 1.896,1214 1.876,1215 1.964,1216 2.002,1217 1.171,1218 1.993,1219 1.768,1220 1.713,1221 1.925,1222 1.916,1223 1.1,1224 1.919,1225 1.512,1226 1.449,1227 1.733,1228 1.752,1229 0.989,1230 1.742,1231 1.405,1232 1.325,1233 1.731,1234 1.606,1235 0.97,1236 1.655,1237 1.252,1238 1.198,1239 1.57,1240 1.541,1241 0.652,1242 1.544,1243 1.178,1244 1.098,1245 1.545,1246 1.489,1247 0.579,1248 1.5,1249 1.133,1250 1.061,1251 1.44,1252 1.443,1253 0.558,1254 1.421,1255 4.317,1257 5.7,1258 2.398,1259 7.27,1260 4.727,1261 8.926,1262 6.843,1263 10.626,1265 8.072,1266 5.969,1267 39.627,1271 2.634,1272 2.557,1273 5.675,1275 0.674,1276 6.124,1277 -4.611,1280 38.868,1281 109.76,1282 227.569,1283 302.266,1284 319.386,1285 319.386,1286 319.386,1287 88.414,1288 8.173,1289 48.05,1290 48.05,1291 23,1292 12.976,1293 3.807,1294 3,1295 56.796,1296 147,1297 130,1298 0.189,1299 238.018,1300 429.04,1301 572.525,1302 41486,1303 6.5,1304 24.784,1305 0.729,1306 0.597,1307 22.784,1308 20.296,1309 16.006,1310 0.433,1311 0.311,1312 10.924,1313 14.858,1314 10.56,1315 8.71,1316 15.084,1317 11.507,1318 15.749,1319 0.281,1320 0.166,1321 14.088,1322 9.296,1323 13.042,1324 0.174,1325 0.096,1326 12.857,1327 7.174,1328 10.72,1329 0.109,1330 0.05,1331 9.971,1332 4.937,1333 8.238,1334 0.068,1335 0.026,1336 7.895,1337 3.193,1338 0.295,1339 105.298,1340 0.207,1341 31.033,1342 0.525,1343 186,1344 715.276,1345 233.426,1346 632.151,1347 824.39,1348 586,1349 224,1350 563.101,1351 264.715,1352 560.409,1353 846.71,1354 523,1355 7.3} {0 CHEMBL370625,1 1.448,2 11.5,3 3.498,4 12.236,5 126.526,6 7.431,7 0.595,8 4.158,9 4.279,10 3.752,11 3.74,12 5.194,13 3.717,14 4.727,15 4.91,16 4.14,17 4.173,18 5.701,19 4.135,20 4.984,21 5.186,22 4.237,23 4.358,24 5.939,25 4.287,26 5.073,27 5.291,28 4.202,29 4.352,30 6.069,31 4.267,32 5.056,33 5.29,34 4.158,35 4.312,36 6.06,37 4.223,38 4.959,39 5.164,40 4.101,41 4.292,42 5.902,43 4.194,44 5.002,45 5.252,46 4.008,47 4.237,48 5.918,49 4.127,50 4.864,51 5.096,52 3.869,53 4.145,54 5.75,55 4.022,56 0.023,57 0.872,58 11.427,59 4.987,60 7.347,61 6.698,62 0.264,63 1.505,64 22.754,65 8.193,66 18.54,67 11.382,68 0.235,69 1.849,70 30.356,71 11.622,72 24.677,73 16.092,74 0.265,75 1.926,76 34.59,77 12.971,78 44.484,79 17.849,80 0.484,81 1.876,82 35.179,83 12.837,84 59.102,85 17.652,86 0.169,87 1.737,88 29.873,89 12.141,90 32.124,91 16.682,92 0.419,93 1.803,94 33.476,95 11.69,96 45.886,97 16.746,98 0.213,99 1.548,100 28.161,101 11.157,102 27.954,103 15.572,104 5,105 54,106 0.233,107 0.555,108 0.73,109 0.841,110 0.852,111 0.858,112 3.503,113 0.908,114 -4.52,115 -4.44,116 -4.18,119 45.6,121 1,124 1,125 5,140 8,141 5,142 1,143 2,144 1,145 1,156 1,169 12,171 2,172 11,178 13,181 1,182 13,189 11,193 12,199 8,202 5,203 10,211 9,215 5,222 11,225 2,226 8,233 13,236 1,237 7,244 8,249 6,256 4,259 1664,260 22.223,261 22.223,262 22.223,263 22.223,264 22.223,265 19.659,266 21.799,267 12.892,268 22.652,269 18.279,270 18.279,271 18.279,272 18.279,273 18.279,274 14.282,275 29.806,276 6.105,277 18.945,278 4.385,279 2.389,280 1.298,281 0.61,282 0.54,283 0.504,284 4.228,288 1,289 1,290 836,291 2.915,294 54.423,295 347.705,298 92.118,299 227.383,302 1.688,303 22.368,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67.5,315 368,316 4.647,317 3.772,318 6.889,319 4.264,320 3.289,321 4.538,322 1.2,323 11.504,324 3.211,325 4.548,326 3.306,327 6.706,328 4.103,329 3.121,330 4.468,331 0.8,332 10.884,333 3.072,334 4.21,335 3.082,336 6.469,337 3.87,338 2.912,339 3.672,340 0.8,341 10.039,342 2.785,343 3.829,344 2.859,345 5.866,346 3.514,347 2.56,348 3.23,349 0.293,350 8.07,351 2.439,352 3.636,353 2.714,354 5.66,355 3.325,356 2.352,357 2.955,359 7.335,360 2.282,361 3.354,362 2.419,363 5.13,364 3.096,365 2.153,366 2.463,368 6.105,369 2.022,370 3.118,371 2.011,372 5.02,373 2.767,374 1.802,375 2.427,377 5.64,378 1.732,379 3.116,380 1.841,381 4.684,382 2.614,383 1.618,384 2.29,386 4.731,387 1.612,388 3.043,389 1.618,390 4.315,391 2.587,392 1.609,393 2.247,395 3.803,396 1.568,397 2.8,398 1.588,399 4.164,400 2.349,401 1.415,402 1.907,404 3.636,405 1.318,406 2.754,407 1.513,408 3.874,409 2.254,410 1.271,411 1.851,413 3,414 1.248,415 2.476,416 1.266,417 3.711,418 2.135,419 1.156,420 1.454,422 2.838,423 1.129,424 2.333,425 1.252,426 3.56,427 2.03,428 1.044,429 1.29,431 2.53,432 1.022,433 2.122,434 1.146,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 0.826,444 3.258,445 1.641,446 0.651,447 0.908,449 1.585,450 0.641,451 15.333,452 0.479,453 0.743,454 0.023,455 44.5,456 1.391,457 22.5,458 0.703,459 22,460 0.688,461 26.663,462 0.833,463 32.667,464 0.573,465 34.026,466 1.063,467 8.617,468 0.269,469 7.07,470 0.221,471 0.054,473 0.372,479 0.745,480 1.393,481 0.749,482 1.065,483 0.534,484 0.932,485 1.054,486 0.96,487 0.884,488 0.793,489 0.595,490 0.799,491 0.998,492 1.038,493 0.959,494 0.991,495 0.774,496 0.966,497 1.244,498 1.109,499 1.008,500 1.065,501 1.403,502 1.022,503 1.217,504 0.774,505 0.957,506 0.852,507 1.516,508 0.878,509 0.961,510 1.241,511 1.037,512 1.205,513 1.127,514 1.151,515 1.035,516 0.881,517 1.045,518 0.898,519 0.826,520 0.95,521 0.866,522 1.026,523 1.068,524 1.128,525 0.88,526 1.123,527 5,528 0.148,529 4.222,530 2.319,531 2.076,532 1.059,533 0.824,534 0.549,535 0.345,536 0.263,537 14518,538 32119,539 2.23,540 43.9,542 21,544 2,547 2,550 1.748,551 2.133,552 3.488,553 -0.805,555 1,559 82.557,560 1.448,561 3.444,562 4.535,563 5.223,564 5.293,565 5.328,566 2.924,567 4.688,568 4.973,569 3.612,570 1791.77,571 8.715,572 24961.1,574 1,577 332.475,578 1.248,579 4.952,580 0.135,581 0.005,582 0.078,583 0.04,584 0.038,585 0.02,586 0.017,587 0.012,588 0.009,589 0.008,590 0.364,591 0.5,592 0.88,593 0.406,594 165.389,595 0.022,596 -0.265,597 0.088,598 -0.083,599 0.014,600 -0.009,601 -0.026,602 0.171,603 0.037,604 0.144,605 0.028,606 0.11,607 -0.052,608 0.007,609 -0.02,610 -0.018,611 0.034,612 -0.013,613 -0.08,614 -0.122,615 -0.029,616 -0.084,617 -0.025,618 -0.055,619 0.059,620 0.208,621 0.049,622 0.123,623 0.001,624 0.09,625 -0.039,626 -0.263,627 -0.096,628 -0.202,629 -0.072,630 -0.167,631 -0.016,632 0.126,633 -0.047,634 0.062,635 0.039,636 0.019,637 -0.022,638 -0.064,639 -0.106,640 -0.126,641 -0.009,642 -0.125,643 1.633,644 6.649,645 0.906,646 29.438,647 0.994,648 1.12,649 3.287,650 10.804,651 0.686,652 3.638,653 4.007,654 4.369,655 4.7,656 4.997,657 5.136,658 5.361,659 5.561,660 5.714,661 5.846,662 6.633,663 0.651,664 423.56,665 3.638,666 5.209,667 6.103,668 7.011,669 7.92,670 8.834,671 9.749,672 10.667,673 11.585,674 12.505,675 8.8,678 1,681 1,682 1,685 2,687 4,688 10,689 2,693 4,695 22,703 1,709 1,714 57,716 23,717 2,718 37,720 62,721 26,722 18,723 7,724 5,725 1,730 6,731 10,740 1,743 1,745 19,746 7,750 1,755 1,759 1,761 1,764 25,765 6,767 6,773 5,777 0.5,778 1,786 2,792 1,793 5,796 1,797 2,815 1,819 3,823 1,827 32,833 6,838 3,847 1.8,850 1,854 15,855 10.75,856 6.833,857 3.597,858 4.617,859 1.517,860 1.057,861 4.728,862 13.557,863 3.912,864 4.564,865 5.244,866 5.899,867 6.526,868 6.893,869 7.373,870 7.808,871 8.217,872 8.437,873 0.875,874 58,875 11.888,877 5.225,878 7.531,879 23.303,881 20.148,883 2.031,884 65,887 1,888 294.278,889 141.388,890 42.944,892 25.145,895 141.388,896 319.422,897 42.944,898 8.396,899 16.187,900 75.81,901 86.963,902 43.334,903 2.328,904 270.735,906 294.278,907 184.332,908 25.145,911 270.735,912 48.687,915 39.551,916 111.21,917 33.571,919 294.278,920 68.089,921 141.388,924 294.278,925 39.087,926 111.674,928 58.716,929 294.278,930 68.089,931 141.388,933 0.59,934 0.361,935 0.206,936 0.116,937 30,938 12,939 0.032,940 2,941 3,942 1.207,943 4.277,944 325.234,945 0.207,946 29,947 156,951 19.512,952 7.754,953 3.321,954 4.054,955 68.089,956 19.8,957 9.163,961 3.951,964 503.754,965 49,970 13.649,974 0.034,975 56.672,976 63.853,977 0.248,978 0.59,979 0.778,980 0.895,981 0.907,982 0.914,983 5.173,984 1.618,985 6.098,986 5.64,987 4.691,988 5.252,989 1.758,990 6.969,991 4.627,992 6.389,993 1.609,994 7.689,995 4.731,996 4.29,997 5.112,998 0.766,999 7.97,1000 4.194,1001 7.714,1002 1.415,1003 9.383,1004 3.803,1005 6.337,1006 7.533,1007 1.696,1008 11.128,1009 6.214,1010 9.077,1011 1.271,1012 11.139,1013 3.636,1014 6.792,1015 8.269,1016 0.931,1017 12.97,1018 6.645,1019 10.477,1020 1.156,1021 12.935,1022 3,1023 8.289,1024 10.153,1025 1.83,1026 15.641,1027 8.117,1028 11.903,1029 1.044,1030 14.757,1031 2.838,1032 9.133,1033 11.298,1034 1.142,1035 17.813,1036 8.941,1037 13.349,1038 1,1039 16.598,1040 2.53,1041 10.416,1042 12.961,1043 2.038,1044 20.319,1045 10.2,1046 3.289,1047 0.651,1048 18.454,1049 2.275,1050 11.435,1051 14.299,1052 1.436,1053 22.628,1054 11.202,1055 3.121,1056 11.504,1057 20.321,1058 1.585,1059 12.636,1060 15.868,1061 2.286,1062 25.074,1063 12.381,1064 2.912,1065 10.884,1066 22.195,1067 4.538,1068 13.734,1069 17.295,1070 1.783,1071 27.442,1072 13.46,1073 2.56,1074 10.039,1075 24.076,1076 4.468,1077 14.907,1078 18.825,1079 2.561,1080 29.868,1081 14.612,1082 2.352,1083 8.07,1084 25.963,1085 3.672,1086 16.04,1087 20.293,1088 2.156,1089 32.262,1090 15.726,1091 2.153,1092 7.335,1093 27.854,1094 3.23,1095 17.205,1096 21.807,1097 2.856,1098 34.682,1099 16.87,1100 1.802,1101 6.105,1102 29.748,1103 2.955,1104 18.356,1105 23.294,1106 2.541,1107 37.09,1108 18.001,1109 13131,1110 19699,1111 25.66,1112 39.097,1113 57,1114 57.881,1115 58.317,1116 56.71,1117 56.643,1118 74.346,1119 6.186,1120 169.858,1121 54.818,1122 5.647,1123 5.772,1124 6.578,1125 5.332,1126 5.289,1127 7.538,1128 2.293,1129 19.167,1130 5.211,1131 10.503,1132 1.541,1133 1.564,1134 1.576,1135 1.533,1136 1.531,1137 2.009,1138 0.167,1139 4.591,1140 1.482,1141 4.15,1142 4.179,1143 4.114,1144 4.075,1145 7.428,1146 4.081,1147 4.047,1148 4.073,1149 4.012,1150 3.986,1151 4.995,1152 3.989,1153 3.818,1154 3.891,1155 3.719,1156 3.628,1157 4.953,1158 3.641,1159 3.666,1160 3.721,1161 3.581,1162 3.508,1163 4.491,1164 3.516,1165 3.458,1166 3.503,1167 3.37,1168 3.358,1169 4.364,1170 3.353,1171 3.241,1172 3.318,1173 3.164,1174 3.058,1175 4.343,1176 3.08,1177 3.183,1178 3.231,1179 3.047,1180 3.019,1181 3.949,1182 3.013,1183 3.111,1184 3.206,1185 2.96,1186 2.941,1187 3.916,1188 2.934,1189 0.126,1190 0.102,1191 0.186,1192 0.115,1193 0.089,1194 4.647,1195 0.123,1196 3.772,1197 0.032,1198 6.889,1199 0.311,1200 4.264,1201 0.087,1202 3.289,1203 4.538,1204 1.2,1205 11.504,1206 3.211,1207 2.058,1208 2.037,1209 2.122,1210 2.145,1211 1.335,1212 2.139,1213 2.032,1214 2.011,1215 2.104,1216 2.117,1217 1.239,1218 2.114,1219 1.747,1220 1.674,1221 1.959,1222 1.961,1223 1.229,1224 1.967,1225 1.527,1226 1.473,1227 1.75,1228 1.735,1229 1.039,1230 1.737,1231 1.468,1232 1.421,1233 1.64,1234 1.619,1235 0.825,1236 1.623,1237 1.394,1238 1.346,1239 1.555,1240 1.55,1241 0.68,1242 1.561,1243 1.183,1244 1.088,1245 1.516,1246 1.451,1247 0.651,1248 1.481,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.611,1254 1.429,1255 4.317,1257 5.673,1258 2.398,1259 7.241,1260 4.727,1261 8.903,1262 6.843,1263 10.615,1265 2.16,1271 5.548,1276 6.641,1280 37.09,1281 82.557,1282 196.288,1283 258.501,1284 297.72,1285 301.72,1286 303.72,1287 43.349,1288 8.939,1289 52.57,1290 52.57,1291 35,1292 13.014,1293 4.585,1294 3.7,1295 41.251,1296 127,1297 140,1298 0.158,1299 221.577,1300 375.35,1301 532.409,1302 110507,1304 21.656,1305 0.677,1306 0.568,1307 21.656,1308 18.16,1309 15.687,1310 0.424,1311 0.303,1312 11.06,1313 15.183,1314 10.803,1315 8.872,1316 15.687,1317 11.197,1318 14.337,1319 0.266,1320 0.161,1321 14.337,1322 8.709,1323 13.091,1324 0.168,1325 0.087,1326 13.091,1327 6.762,1328 11.511,1329 0.106,1330 0.046,1331 11.511,1332 4.962,1333 9.918,1334 0.067,1335 0.025,1336 9.918,1337 3.633,1338 0.245,1339 97.415,1340 0.197,1341 29.411,1342 0.447,1343 182,1344 449.961,1345 194.622,1346 443.779,1347 630.26,1348 420,1349 223,1350 482.665,1351 237.704,1352 492.71,1353 733.31,1354 466,1355 8.4} {0 CHEMBL370852,1 1.545,2 11.276,3 3.976,4 15.809,5 117.409,6 7.826,7 0.515,8 4.061,9 4.18,10 3.69,11 3.646,12 5.087,13 3.616,14 4.636,15 4.82,16 4.092,17 4.08,18 5.612,19 4.033,20 4.895,21 5.096,22 4.169,23 4.259,24 5.867,25 4.173,26 4.977,27 5.202,28 4.073,29 4.225,30 5.961,31 4.125,32 4.922,33 5.164,34 4.018,35 4.178,36 5.861,37 4.079,38 4.833,39 5.036,40 4.046,41 4.166,42 5.811,43 4.06,44 4.872,45 5.131,46 3.901,47 4.084,48 5.768,49 3.958,50 4.693,51 4.916,52 3.841,53 3.985,54 5.619,55 3.854,56 0.008,57 0.775,58 9.986,59 4.578,60 5.698,61 6.116,62 0.244,63 1.334,64 21.035,65 7.643,66 16.936,67 10.488,68 0.226,69 1.623,70 30.1,71 11.025,72 27.096,73 14.957,74 0.289,75 1.683,76 34.071,77 12.092,78 47.204,79 16.362,80 0.388,81 1.612,82 31.408,83 11.474,84 44.28,85 15.696,86 0.22,87 1.499,88 27.346,89 10.926,90 36.211,91 15.019,92 0.375,93 1.524,94 30.924,95 10.644,96 39.575,97 15.134,98 0.197,99 1.227,100 27.138,101 9.807,102 26.154,103 13.236,104 10,105 48,106 0.256,107 0.576,108 0.729,109 0.828,110 0.828,111 0.828,112 3.409,113 0.946,114 -5.29,115 -5.18,116 -4.84,119 44.2,121 1,124 1,125 5,140 7,141 4,142 2,143 1,145 1,156 1,169 10,171 2,172 8,178 13,181 1,182 10,189 10,193 11,199 6,202 3,203 6,211 8,215 7,222 11,225 2,226 5,233 7,236 1,237 5,244 7,249 5,256 4,259 1278,260 19.809,261 19.809,262 19.809,263 19.809,264 19.809,265 17.755,266 23.4,267 11.418,268 20.311,269 16.275,270 16.275,271 16.275,272 16.275,273 16.275,274 13.051,275 30.447,276 5.431,277 17.116,278 4.155,279 2.228,280 1.3,281 0.707,282 0.707,283 0.707,284 4.12,285 1,288 1,289 1,290 728,291 2.828,294 52.487,295 274.219,298 87.573,299 100.173,302 1.615,303 22.022,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.333,315 327,316 4.633,317 3.755,318 6.833,319 4.24,320 3.268,321 4.535,322 1.2,323 11.338,324 3.18,325 4.326,326 3.301,327 6.631,328 3.999,329 3.037,330 3.832,331 0.8,332 10.578,333 2.933,334 4.052,335 3.053,336 6.06,337 3.689,338 2.714,339 3.579,340 0.8,341 8.661,342 2.641,343 3.739,344 2.902,345 5.72,346 3.446,347 2.502,348 3.084,349 0.293,350 7.632,351 2.358,352 3.597,353 2.722,354 5.203,355 3.209,356 2.29,357 2.909,359 6.3,360 2.08,361 3.35,362 2.424,363 5.044,364 3.079,365 2.148,366 2.456,368 6.023,369 1.966,370 3.069,371 2.051,372 4.923,373 2.743,374 1.786,375 2.247,377 5.489,378 1.688,379 2.99,380 1.927,381 4.641,382 2.547,383 1.581,384 2.131,386 4.615,387 1.497,388 2.767,389 1.588,390 4.229,391 2.338,392 1.407,393 1.827,395 3.642,396 1.305,397 2.5,398 1.513,399 3.874,400 2.127,401 1.15,402 1.5,404 2.944,405 1.12,406 2.441,407 1.252,408 3.63,409 2,410 1,411 1.411,413 2.275,414 1,415 2.234,416 1.146,417 3.414,418 1.967,419 1,420 1.108,422 2.275,423 0.965,424 2,425 1,426 3.414,427 1.888,428 0.882,429 1,431 2.204,432 0.865,433 1.705,434 0.624,435 3.208,436 1.386,437 0.401,438 0.5,440 1.06,441 0.39,442 1.141,443 0.446,444 2.706,445 0.844,446 -0.112,447 -0.125,449 -0.257,450 -0.105,451 14.148,452 0.488,453 0.747,454 0.026,455 38.25,456 1.319,457 18.5,458 0.638,459 19.75,460 0.681,461 24.911,462 0.859,463 30.252,464 0.582,465 28.229,466 0.973,467 7.386,468 0.255,469 6.712,470 0.231,471 0.109,473 0.368,479 0.684,480 1.429,481 0.629,482 1.021,483 0.513,484 0.926,485 0.943,486 0.955,487 0.731,488 0.743,489 0.54,490 0.781,491 0.978,492 1.075,493 0.946,494 1.024,495 0.765,496 1.012,497 1.196,498 1.095,499 0.914,500 1.026,501 1.38,502 1.016,503 1.034,504 0.764,505 0.699,506 0.765,507 1.291,508 0.828,509 0.557,510 1.312,511 0.777,512 1.234,513 0.69,514 1.182,515 0.816,516 0.874,517 0.784,518 0.836,519 0.625,520 0.911,521 0.964,522 1.044,523 1.085,524 1.114,525 0.946,526 1.106,527 5.5,528 0.135,529 4,530 2.007,531 1.862,532 1.021,533 0.781,534 0.576,535 0.352,536 0.185,537 10818,538 27175,539 2.171,540 44.2,542 20,544 1,547 2,550 1.722,551 2.047,552 3.455,553 -0.785,555 1,559 80.339,560 1.545,561 3.472,562 4.4,563 4.994,564 4.994,565 4.994,566 2.898,567 4.444,568 4.826,569 3.555,570 1443.47,571 8.424,572 18819.5,574 1,576 1,577 296.423,578 1.361,579 4.797,580 0.167,581 0.007,582 0.083,583 0.04,584 0.041,585 0.023,586 0.019,587 0.016,588 0.011,589 0.007,590 0.414,591 0.5,592 0.88,593 0.506,594 145.461,595 0.006,596 -0.275,597 0.049,598 -0.083,600 -0.015,601 -0.025,602 0.195,603 0.042,604 0.161,605 0.05,606 0.119,607 -0.071,608 -0.025,609 -0.072,610 -0.07,611 0.035,612 -0.064,613 -0.116,614 -0.103,615 -0.064,616 -0.074,617 -0.071,618 -0.057,619 -0.028,620 0.235,621 0.061,622 0.175,623 -0.085,624 0.134,625 0.172,626 -0.314,627 -0.012,628 -0.266,629 0.093,630 -0.205,631 0.04,632 0.136,633 0.042,634 0.099,635 0.082,636 0.057,637 -0.027,638 -0.084,639 -0.06,640 -0.11,641 0.005,642 -0.111,643 1.648,644 6.131,645 0.862,646 26.421,647 0.998,648 1.121,649 4.061,650 16.494,651 0.691,652 3.526,653 3.892,654 4.22,655 4.522,656 4.82,657 4.97,658 5.176,659 5.371,660 5.501,661 5.635,662 6.335,663 0.652,664 406.95,665 3.526,666 5.094,667 5.974,668 6.874,669 7.773,670 8.68,671 9.587,672 10.499,673 11.411,674 12.326,675 7.7,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,703 1,709 1,713 1,714 52,716 18,717 2,718 33,720 56,721 23,722 15,723 6,724 6,725 1,730 5,731 8,732 1,740 1,743 1,745 16,746 7,750 1,755 1,759 1,761 1,764 23,765 5,767 6,768 1,773 4,777 0.6,778 1,786 1,792 1,793 4,796 1,797 1,815 1,819 3,823 1,824 1,827 29,833 6,838 3,846 1,847 1.9,850 1,854 14.167,855 9.776,856 6.194,857 3.252,858 3.349,859 1.402,860 1.032,861 4.845,862 11.671,863 3.773,864 4.394,865 5.019,866 5.624,867 6.24,868 6.607,869 7.052,870 7.482,871 7.875,872 8.134,873 0.875,874 50,875 10.762,877 4.685,878 7.584,879 21.03,881 18.022,883 2.084,884 60.444,886 1,887 1,888 270.735,889 121.648,890 26.158,891 39.149,892 25.145,895 121.648,896 335.029,897 26.158,898 8.396,899 16.187,900 66.334,901 58.406,902 33.07,903 2.328,904 258.964,905 39.149,906 270.735,907 147.806,908 25.145,909 39.149,911 247.193,912 48.687,915 28.359,916 102.661,917 55.934,919 270.735,920 51.303,921 160.796,924 270.735,925 37.87,926 93.15,928 81.079,929 270.735,930 51.303,931 160.796,933 0.593,934 0.352,935 0.19,936 0.11,937 26,938 11,939 0.036,940 2,941 2,942 1.16,943 4.025,944 275.159,945 0.16,946 25,947 132.881,951 18.712,952 7.508,953 3.449,954 2.306,955 51.303,956 15.463,957 4.708,961 4.533,964 482.835,965 42.5,970 13.131,974 0.018,975 51.894,976 58.299,977 0.271,978 0.609,979 0.772,980 0.876,981 0.876,982 0.876,983 5.039,984 1.581,985 5.974,986 5.489,987 4.575,988 5.081,989 1.758,990 6.825,991 4.486,992 6.247,993 1.407,994 7.557,995 4.615,996 4.205,997 4.934,998 0.766,999 7.794,1000 4.048,1001 7.564,1002 1.15,1003 9.24,1004 3.642,1005 6.209,1006 7.301,1007 1.696,1008 10.927,1009 6.049,1010 8.917,1011 1,1012 10.982,1013 2.944,1014 6.661,1015 7.991,1016 0.931,1017 12.732,1018 6.454,1019 10.304,1020 1,1021 12.762,1022 2.275,1023 8.136,1024 9.848,1025 1.83,1026 15.39,1027 7.918,1028 11.715,1029 0.882,1030 14.57,1031 2.275,1032 8.964,1033 10.937,1034 1.142,1035 17.539,1036 8.714,1037 13.144,1038 0.401,1039 16.397,1040 2.204,1041 10.234,1042 12.585,1043 2.038,1044 20.035,1045 9.966,1046 3.268,1047 -0.112,1048 18.239,1049 1.06,1050 11.238,1051 13.876,1052 1.436,1053 22.329,1054 10.942,1055 3.037,1056 11.338,1057 20.093,1058 -0.257,1059 12.43,1060 15.433,1061 2.286,1062 24.767,1063 12.113,1064 2.714,1065 10.578,1066 21.956,1067 4.535,1068 13.516,1069 16.827,1070 1.783,1071 27.124,1072 13.173,1073 2.502,1074 8.661,1075 23.827,1076 3.832,1077 14.682,1078 18.347,1079 2.561,1080 29.541,1081 14.314,1082 2.29,1083 7.632,1084 25.705,1085 3.579,1086 15.807,1087 19.795,1088 2.156,1089 31.927,1090 15.414,1091 2.148,1092 6.3,1093 27.587,1094 3.084,1095 16.966,1096 21.302,1097 2.856,1098 34.338,1099 16.547,1100 1.786,1101 6.023,1102 29.474,1103 2.909,1104 18.111,1105 22.777,1106 2.541,1107 36.737,1108 17.666,1109 10042,1110 16077,1111 22.482,1112 35.949,1113 50.743,1114 51.917,1115 52.198,1116 50.591,1117 50.332,1118 64.236,1119 6.186,1120 150.072,1121 47.972,1122 5.633,1123 5.755,1124 6.352,1125 5.308,1126 5.268,1127 7.535,1128 2.293,1129 18.757,1130 5.18,1131 12.341,1132 1.538,1133 1.573,1134 1.582,1135 1.533,1136 1.525,1137 1.947,1138 0.187,1139 4.548,1140 1.454,1141 4.135,1142 4.165,1143 4.104,1144 4.062,1145 7.428,1146 4.067,1147 3.915,1148 3.939,1149 3.988,1150 3.856,1151 4.971,1152 3.851,1153 3.812,1154 3.88,1155 3.724,1156 3.625,1157 4.925,1158 3.636,1159 3.648,1160 3.703,1161 3.596,1162 3.499,1163 4.492,1164 3.505,1165 3.242,1166 3.318,1167 3.386,1168 3.06,1169 4.349,1170 3.079,1171 3.178,1172 3.217,1173 3.071,1174 3.019,1175 4.271,1176 3.012,1177 3.111,1178 3.206,1179 2.991,1180 2.941,1181 3.93,1182 2.93,1183 3.106,1184 3.168,1185 2.893,1186 2.935,1187 3.849,1188 2.91,1189 0.14,1190 0.114,1191 0.207,1192 0.128,1193 0.099,1194 4.633,1195 0.137,1196 3.755,1197 0.036,1198 6.833,1199 0.344,1200 4.24,1201 0.096,1202 3.268,1203 4.535,1204 1.2,1205 11.338,1206 3.18,1207 2.051,1208 2.03,1209 2.116,1210 2.14,1211 1.335,1212 2.134,1213 1.896,1214 1.877,1215 1.98,1216 1.983,1217 1.238,1218 1.987,1219 1.747,1220 1.674,1221 1.958,1222 1.955,1223 1.099,1224 1.963,1225 1.505,1226 1.443,1227 1.742,1228 1.7,1229 1.017,1230 1.716,1231 1.413,1232 1.371,1233 1.555,1234 1.592,1235 0.825,1236 1.58,1237 1.183,1238 1.088,1239 1.515,1240 1.451,1241 0.669,1242 1.481,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.614,1248 1.429,1249 1.024,1250 1.001,1251 1.181,1252 1.203,1253 0.332,1254 1.191,1255 4.205,1257 5.557,1258 2.398,1259 7.111,1260 4.727,1261 8.754,1262 6.843,1263 10.446,1265 2.154,1266 5.983,1271 5.565,1276 6.583,1280 33.896,1281 80.339,1282 180.558,1283 228.797,1284 259.668,1285 259.668,1286 259.668,1287 41.345,1288 8.322,1289 39.68,1290 39.68,1291 29,1292 12.839,1293 4.248,1294 3.392,1295 39.501,1296 110,1297 122,1298 0.178,1299 207.587,1300 356.2,1301 498.272,1302 49845,1303 1.9,1304 19.957,1305 0.688,1306 0.593,1307 20.457,1308 17.192,1309 14.097,1310 0.427,1311 0.315,1312 9.935,1313 13.354,1314 9.66,1315 7.921,1316 14.386,1317 10.404,1318 13.054,1319 0.272,1320 0.172,1321 13.463,1322 8.277,1323 11.589,1324 0.173,1325 0.093,1326 11.878,1327 6.229,1328 9.714,1329 0.107,1330 0.048,1331 9.881,1332 4.401,1333 8.339,1334 0.068,1335 0.027,1336 8.553,1337 3.273,1338 0.275,1339 90.6,1340 0.211,1341 27.18,1342 0.502,1343 162,1344 414.519,1345 188.421,1346 436.581,1347 599.89,1348 410,1349 196,1350 428.062,1351 218.631,1352 446.415,1353 661.13,1354 421,1355 9.3} {0 CHEMBL370896,1 1.602,2 10.233,3 5.082,4 25.829,5 122.907,6 7.867,7 0.364,8 4.133,9 4.251,10 3.753,11 3.682,12 5.149,13 3.644,14 4.725,15 4.915,16 4.181,17 4.111,18 5.668,19 4.059,20 4.984,21 5.176,22 4.433,23 4.345,24 5.986,25 4.261,26 5.144,27 5.356,28 4.324,29 4.385,30 6.155,31 4.272,32 5.206,33 5.461,34 4.235,35 4.339,36 6.125,37 4.214,38 5.071,39 5.298,40 4.23,41 4.325,42 5.973,43 4.204,44 5.094,45 5.323,46 4.16,47 4.31,48 6.001,49 4.16,50 5.044,51 5.307,52 3.986,53 4.158,54 5.92,55 4.002,56 0.008,57 0.805,58 11.451,59 5.305,60 7.676,61 7.092,62 0.281,63 1.351,64 25.28,65 8.825,66 22.36,67 12.118,68 0.403,69 1.685,70 38.607,71 12.207,72 34.488,73 16.423,74 0.472,75 1.845,76 43.786,77 14.935,78 63.102,79 20.041,80 0.678,81 1.861,82 49.152,83 15.768,84 75.042,85 21.503,86 0.473,87 1.705,88 40.524,89 13.973,90 44.212,91 18.942,92 0.508,93 1.685,94 44.641,95 14.871,96 53.054,97 19.942,98 0.501,99 1.553,100 44.154,101 13.508,102 58.063,103 18.494,104 51,105 49,106 0.264,107 0.568,108 0.776,109 0.831,110 0.831,111 0.831,112 3.441,113 1.001,114 -4.84,115 -4.75,116 -4.46,119 40.4,120 2,121 1,124 2,125 3,127 2,140 5,141 2,142 5,156 1,169 5,171 1,172 9,178 6,181 2,182 8,189 8,192 1,193 9,199 6,202 1,203 7,211 6,214 2,215 4,222 9,225 2,226 5,233 10,237 4,244 4,248 1,249 7,256 2,259 1390,260 19.87,261 19.87,262 19.87,263 19.87,264 19.87,265 18.27,266 29.673,267 11.118,268 20.541,269 16.108,270 16.108,271 16.108,272 16.108,273 16.108,274 13.537,275 44.454,276 5.111,277 17.231,278 4.231,279 2.387,280 1.125,281 0.79,282 0.79,283 0.79,284 4.129,285 2,288 1,289 1,290 656,291 3.162,294 67.186,295 262.177,298 119.097,302 1.516,303 28.722,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64.167,315 307,316 4.556,317 3.795,318 6.858,319 4.233,320 3.272,321 4.176,322 1.2,323 11.365,324 3.141,325 4.39,326 3.409,327 6.584,328 4.029,329 3.087,330 4.049,331 0.86,332 10.415,333 2.907,334 4.077,335 3.296,336 6.377,337 3.869,338 2.929,339 3.363,340 0.8,341 9.597,342 2.752,343 3.87,344 3.127,345 6.207,346 3.623,347 2.698,348 2.989,349 0.8,350 8.908,351 2.488,352 3.615,353 2.872,354 5.678,355 3.239,356 2.295,357 2.871,358 0.293,359 7.268,360 2.095,361 3.228,362 2.451,363 5.222,364 2.917,365 2.001,366 2.404,368 6.123,369 1.833,370 2.917,371 2.226,372 4.949,373 2.856,374 1.879,375 2.046,377 5.225,378 1.812,379 2.879,380 1.982,381 4.879,382 2.586,383 1.654,384 1.982,386 5.143,387 1.516,388 2.862,389 1.926,390 4.447,391 2.393,392 1.427,393 1.879,395 4.117,396 1.355,397 2.701,398 1.667,399 3.945,400 2.356,401 1.414,402 1.728,404 3.185,405 1.281,406 2.256,407 1.571,408 3.777,409 1.928,410 0.949,411 1.131,413 2.374,414 0.904,415 1.968,416 1.176,417 3.665,418 1.75,419 0.82,420 0.909,422 2.087,423 0.741,424 1.501,425 0.936,426 3.056,427 1.315,428 0.368,429 0.382,431 0.835,432 0.345,433 1.4,434 0.808,435 2.839,436 1.23,437 0.335,438 0.373,440 0.575,441 0.29,442 1.332,443 0.555,444 2.653,445 0.788,446 0.05,447 0.061,449 0.108,450 0.03,451 14.795,452 0.493,453 0.946,454 0.032,455 35,456 1.167,457 15,458 0.5,459 20,460 0.667,461 32.739,462 1.091,463 33.205,464 0.583,465 26.97,466 0.899,467 6.646,468 0.222,469 7.665,470 0.256,471 0.254,473 0.419,479 0.699,480 1.529,481 0.605,482 1.07,483 0.561,484 0.992,485 0.986,486 1.046,487 0.633,488 0.7,489 0.576,490 0.727,491 0.913,492 1.063,493 0.77,494 0.904,495 0.708,496 0.938,497 0.94,498 1.154,499 0.867,500 1.117,501 1.11,502 1.101,503 0.961,504 0.897,505 0.689,506 0.831,507 0.993,508 0.847,509 0.94,510 0.971,511 0.807,512 0.897,513 0.806,514 0.948,515 0.952,516 1.078,517 1.005,518 1.079,519 0.723,520 1.105,521 1.049,522 0.944,523 0.901,524 0.929,525 1.15,526 0.956,527 6.5,528 0.194,529 4.889,530 2.882,531 2.342,532 1.386,533 1.027,534 0.669,535 0.47,536 0.286,537 10530,538 28319,539 2.028,540 47.4,542 19,547 8,550 1.733,551 1.837,552 3.349,553 -0.759,559 91.296,560 1.602,561 3.445,562 4.708,563 5.043,564 5.043,565 5.043,566 2.737,567 4.64,568 4.88,569 3.489,570 1517.54,571 8.54,572 20283.6,574 1,577 332.475,578 1.541,579 4.805,580 0.197,581 0.008,582 0.1,583 0.052,584 0.047,585 0.029,586 0.022,587 0.016,588 0.014,589 0.01,590 0.496,591 0.5,592 1,593 0.817,594 151.381,595 -0.004,596 -0.295,597 0.033,598 -0.102,599 -0.026,600 -0.03,601 -0.057,602 0.121,603 0.104,604 0.214,605 0.049,606 0.199,607 0.011,608 0.067,609 0.084,610 0.044,611 0.089,612 0.009,613 0.023,614 -0.123,615 -0.039,616 -0.161,617 0.039,618 -0.137,619 0.048,620 0.057,621 0.101,622 0.103,623 0.047,624 0.118,625 -0.017,626 0.049,627 0.012,628 0.056,629 -0.023,630 0.021,631 -0.006,632 -0.098,633 -0.079,634 -0.098,635 0.031,636 -0.12,637 -0.069,638 0.005,639 -0.001,640 0.02,641 -0.069,642 0.016,643 1.794,644 6.303,645 0.7,646 26.267,647 1.002,648 1.126,649 3.61,650 13.033,651 0.676,652 3.526,653 3.912,654 4.248,655 4.511,656 4.754,657 4.913,658 5.075,659 5.22,660 5.323,661 5.421,662 6.221,663 0.632,664 448.43,665 3.526,666 5.106,667 5.994,668 6.901,669 7.804,670 8.716,671 9.625,672 10.539,673 11.451,674 12.367,675 5.3,678 1,681 1,682 1,688 5,693 7,695 12,703 1,709 1,712 1,713 2,714 57,716 13,717 2,718 33,720 60,721 23,722 12,723 7,724 5,725 1,730 4,731 5,732 2,736 2,740 3,743 3,745 13,746 10,750 1,755 1,759 1,764 27,765 5,767 7,768 2,773 3,777 0.75,778 2,792 1,793 3,796 1,815 1,819 3,823 4,824 2,827 30,833 4,835 1,837 2,838 3,846 2,847 3.5,850 1,852 1,854 16.333,855 11.552,856 6.528,857 3.514,858 2.236,859 1.283,860 0.965,861 6.22,862 10.146,863 3.714,864 4.304,865 4.875,866 5.388,867 5.892,868 6.144,869 6.473,870 6.75,871 7.016,872 7.318,873 0.857,874 55,875 11.147,877 4.786,878 7.657,879 21.579,881 18.173,883 2.157,884 64.722,887 1,888 317.82,889 121.997,890 9.373,891 78.297,892 36.145,895 121.997,896 432.262,897 9.373,898 36.93,899 11.976,900 47.381,901 29.85,902 41.378,904 317.82,905 78.297,906 317.82,907 131.37,908 36.145,909 78.297,911 223.651,912 130.314,915 32.751,916 98.619,917 78.297,919 317.82,920 45.518,921 200.294,924 317.82,925 37.686,926 93.684,928 114.442,929 317.82,930 45.518,931 200.294,933 0.6,934 0.375,935 0.194,936 0.102,937 25,938 13,939 0.05,940 3,941 1,942 1.095,943 3.885,944 284.435,945 0.095,946 21,947 141.207,951 21.753,952 8.579,953 3.941,955 45.518,956 9.346,961 5.026,964 563.631,965 40,970 13.303,974 -0.127,975 57.094,976 64.199,977 0.275,978 0.591,979 0.807,980 0.865,981 0.865,982 0.865,983 5.011,984 1.654,985 6.023,986 5.225,987 4.595,988 4.99,989 1.985,990 6.909,991 4.471,992 6.224,993 1.427,994 7.643,995 5.143,996 4.369,997 4.924,998 0.766,999 7.941,1000 4.156,1001 7.551,1002 1.414,1003 9.358,1004 4.117,1005 6.275,1006 7.142,1007 1.879,1008 11.071,1009 6.046,1010 8.91,1011 0.949,1012 11.127,1013 3.185,1014 6.836,1015 7.861,1016 0.931,1017 12.876,1018 6.523,1019 10.301,1020 0.82,1021 12.927,1022 2.374,1023 8.251,1024 9.615,1025 1.952,1026 15.539,1027 7.921,1028 11.713,1029 0.368,1030 14.75,1031 2.087,1032 9.146,1033 10.683,1034 1.142,1035 17.665,1036 8.745,1037 13.141,1038 0.335,1039 16.587,1040 0.835,1041 10.387,1042 12.256,1043 2.113,1044 20.161,1045 9.961,1046 3.272,1047 0.05,1048 18.436,1049 0.575,1050 11.426,1051 13.493,1052 1.436,1053 22.43,1054 10.941,1055 3.087,1056 11.365,1057 20.294,1058 0.108,1059 12.605,1060 14.985,1061 2.33,1062 24.863,1063 12.087,1064 2.929,1065 10.415,1066 22.159,1067 4.176,1068 13.706,1069 16.306,1070 1.783,1071 27.2,1072 13.138,1073 2.698,1074 9.597,1075 24.029,1076 4.049,1077 14.865,1078 17.76,1079 2.586,1080 29.61,1081 14.259,1082 2.295,1083 8.908,1084 25.905,1085 3.363,1086 15.994,1087 19.126,1088 2.156,1089 31.981,1090 15.344,1091 2.001,1092 7.268,1093 27.784,1094 2.989,1095 17.148,1096 20.561,1097 2.87,1098 34.386,1099 16.46,1100 1.879,1101 6.123,1102 29.667,1103 2.871,1104 18.293,1105 21.95,1106 2.541,1107 36.775,1108 17.562,1109 10221,1110 17035,1111 21.213,1112 38.54,1113 50.741,1114 53.122,1115 54.074,1116 50.6,1117 50.36,1118 60.686,1119 7.906,1120 154.651,1121 46.984,1122 5.556,1123 5.795,1124 6.387,1125 5.301,1126 5.272,1127 7.176,1128 2.293,1129 18.993,1130 5.141,1131 18.782,1132 1.538,1133 1.61,1134 1.639,1135 1.533,1136 1.526,1137 1.839,1138 0.24,1139 4.686,1140 1.424,1141 4.066,1142 4.1,1143 4.139,1144 3.969,1145 7.428,1146 3.976,1147 3.904,1148 3.935,1149 3.98,1150 3.85,1151 5.027,1152 3.843,1153 3.831,1154 3.878,1155 3.738,1156 3.671,1157 4.85,1158 3.677,1159 3.49,1160 3.538,1161 3.486,1162 3.303,1163 4.485,1164 3.317,1165 3.367,1166 3.452,1167 3.371,1168 3.217,1169 4.442,1170 3.19,1171 3.226,1172 3.311,1173 3.26,1174 3.019,1175 4.396,1176 3.032,1177 3.182,1178 3.218,1179 3.151,1180 2.939,1181 4.254,1182 2.945,1183 3.086,1184 3.178,1185 3.052,1186 2.86,1187 3.958,1188 2.841,1189 0.138,1190 0.115,1191 0.208,1192 0.128,1193 0.099,1194 4.556,1195 0.127,1196 3.795,1197 0.036,1198 6.858,1199 0.344,1200 4.233,1201 0.095,1202 3.272,1203 4.176,1204 1.2,1205 11.365,1206 3.141,1207 1.932,1208 1.908,1209 2.055,1210 2.079,1211 1.36,1212 2.075,1213 1.884,1214 1.866,1215 1.948,1216 1.97,1217 1.171,1218 1.973,1219 1.767,1220 1.712,1221 1.921,1222 1.906,1223 1.091,1224 1.913,1225 1.487,1226 1.424,1227 1.733,1228 1.696,1229 0.97,1230 1.708,1231 1.405,1232 1.325,1233 1.717,1234 1.606,1235 0.967,1236 1.655,1237 1.229,1238 1.175,1239 1.568,1240 1.523,1241 0.651,1242 1.536,1243 1.174,1244 1.081,1245 1.544,1246 1.466,1247 0.579,1248 1.491,1249 1.076,1250 0.994,1251 1.435,1252 1.346,1253 0.557,1254 1.388,1255 4.205,1257 5.572,1258 2.398,1259 7.14,1260 4.727,1261 8.797,1262 6.843,1263 10.5,1265 8.346,1266 12.468,1271 3.207,1273 5.739,1275 0.851,1276 6.563,1280 35.997,1281 91.296,1282 196.393,1283 268.336,1284 287.455,1285 287.455,1286 287.455,1287 58.051,1288 7.91,1289 36.02,1290 36.02,1291 23,1292 12.879,1293 3.807,1294 3,1295 46.793,1296 112,1297 102,1298 0.208,1299 226.37,1300 397.74,1301 544.103,1302 28605,1303 3.5,1304 21.577,1305 0.719,1306 0.643,1307 22.577,1308 19.296,1309 14.312,1310 0.434,1311 0.334,1312 10.169,1313 13.246,1314 9.712,1315 8.042,1316 14.889,1317 11.007,1318 13.304,1319 0.272,1320 0.184,1321 14.008,1322 9.015,1323 12.176,1324 0.176,1325 0.105,1326 13.165,1327 7.222,1328 9.688,1329 0.108,1330 0.054,1331 10.232,1332 4.822,1333 7.604,1334 0.066,1335 0.028,1336 7.988,1337 3.22,1338 0.318,1339 95.649,1340 0.217,1341 27.7,1342 0.595,1343 164,1344 446.813,1345 207.709,1346 488.502,1347 652.73,1348 456,1349 200,1350 437.71,1351 243.767,1352 464.997,1353 689.15,1354 435,1355 6.6} {0 CHEMBL371300,1 1.567,2 5.643,3 0.961,4 0.923,5 55.032,6 7.084,7 0.667,8 3.407,9 3.547,10 2.918,11 2.879,12 4.555,13 2.865,14 3.89,15 4.079,16 3.259,17 3.246,18 4.965,19 3.214,20 4.13,21 4.364,22 3.184,23 3.307,24 5.184,25 3.23,26 4.156,27 4.446,28 3.032,29 3.191,30 5.092,31 3.079,32 3.84,33 4.086,34 2.833,35 2.976,36 4.947,37 2.883,38 3.732,39 3.968,40 2.344,41 2.835,42 4.727,43 2.657,44 3.576,45 3.898,46 2.022,47 2.436,48 4.605,49 2.219,50 3.102,51 3.404,52 0.873,53 1.795,54 4.094,55 1.541,56 0.067,57 0.413,58 6.131,59 2.245,60 10.369,61 3.175,62 0.062,63 0.63,64 10.392,65 3.417,66 12.738,67 5.248,68 0.193,69 0.701,70 14.152,71 4.059,72 27.331,73 6.355,74 0.258,75 0.644,76 15.275,77 4.111,78 25.167,79 6.758,80 0.16,81 0.49,82 10.662,83 3.086,84 21.063,85 4.858,86 0.106,87 0.41,88 9.492,89 3.225,90 21.65,91 4.738,92 0.141,93 0.281,94 8.801,95 2.639,96 26.48,97 4.149,98 0.143,99 0.142,100 5.703,101 1.372,102 23.1,103 2.064,104 12,105 21,106 0.311,107 0.72,108 0.843,109 0.878,110 0.878,111 0.878,112 2.735,113 0.913,114 -2.24,115 -2.28,116 -2.25,119 37,120 1,125 1,127 1,140 3,141 1,142 1,143 1,150 1,161 1,162 1,163 1,164 1,169 2,172 3,176 3,178 3,180 1,182 4,183 1,184 1,186 1,189 1,193 3,194 1,195 2,197 1,206 1,208 2,211 2,213 2,220 1,222 1,224 1,230 1,231 2,232 1,233 1,235 1,259 170,260 9.154,261 9.154,262 9.154,263 9.154,264 9.154,265 7.972,266 8.018,267 5.401,268 9.307,269 7.415,270 7.415,271 7.415,272 7.415,273 7.415,274 5.641,275 5.431,276 2.585,277 7.692,278 3.188,279 1.121,280 0.5,281 0.324,282 0.324,283 0.324,284 3.373,288 1,289 1,290 162,291 2.449,294 25.939,295 30.81,298 48.004,302 0.929,303 12.453,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 30.5,315 79,316 4.55,317 3.148,318 6.549,319 4.061,320 3.094,321 4.502,323 10.372,324 2.992,325 3.655,326 2.551,327 5.244,328 3.304,329 2.345,330 3.07,332 6.481,333 2.246,334 3.39,335 2.294,336 4.955,337 3.076,338 2.116,339 2.689,341 5.776,342 2.022,343 3.014,344 1.823,345 4.514,346 2.713,347 1.741,348 2.086,350 4.59,351 1.689,352 2.676,353 1.258,354 4.029,355 2.189,356 1.221,357 1.749,359 3.263,360 1.179,361 2.148,362 0.8,363 3.239,364 1.674,365 0.719,366 1.005,368 1.681,369 0.684,370 1.129,371 0.111,372 2.477,373 0.8,374 -0.14,375 -0.168,377 -0.337,378 -0.13,379 0.724,380 -0.339,381 2.375,382 0.371,383 -0.568,384 -0.683,386 -1.501,387 -0.527,388 0.515,389 -0.808,390 2,391 0.086,392 -0.903,393 -1,395 -2,396 -0.892,398 -0.884,399 1.86,400 -0.051,401 -1,402 -1.316,404 -2.721,405 -0.949,406 -0.014,407 -1.131,408 1.211,409 -0.363,410 -1.291,411 -1.562,413 -3.153,414 -1.201,415 -0.102,416 -1.468,417 1.079,418 -0.548,419 -1.521,420 -1.998,422 -4.493,423 -1.482,424 -0.422,425 -1.797,426 1,427 -0.938,428 -1.883,429 -2.534,431 -5.221,432 -1.774,433 -0.5,434 -1.899,435 0.825,436 -0.974,437 -1.931,438 -2.841,440 -6.021,441 -1.858,442 -0.764,443 -2,444 0.645,445 -1,446 -2,447 -3,449 -6.715,450 -2,451 6.533,452 0.467,453 0.421,454 0.03,455 17.25,456 1.232,457 8.5,458 0.607,459 8.75,460 0.625,461 9.014,462 0.644,463 15.667,464 0.58,465 10.14,466 0.724,467 3.418,468 0.244,469 3.247,470 0.232,471 0.189,473 0.367,479 0.993,480 1.169,481 0.886,482 1.015,483 1.139,484 0.946,485 0.841,486 1.355,487 0.819,488 1.081,489 0.604,490 0.954,491 1.156,492 1.064,493 1.113,494 1.03,495 1.097,496 1.05,497 0.816,498 0.824,499 0.865,500 0.793,501 0.654,502 0.82,503 0.96,504 0.999,505 1.056,506 1.054,507 0.839,508 1.054,509 1.157,510 1.266,511 1.418,512 1.49,513 1.442,514 1.516,515 0.641,516 0.82,517 0.806,518 0.966,519 0.748,520 0.936,521 2.342,522 0.595,523 1.511,524 0.795,525 2.852,526 1.04,527 3.5,529 1.556,530 0.979,531 0.728,532 0.441,533 0.164,534 0.056,537 1196,538 3244,539 1.993,540 48.1,542 6,544 1,545 3,547 3,550 1.511,551 1.826,552 2.583,553 1.383,557 1,559 42.302,560 1.567,561 3.634,562 4.255,563 4.431,564 4.431,565 4.431,566 1.924,567 3.664,568 3.778,569 2.65,570 241.176,571 6.311,572 1861.78,574 1,577 128.382,578 1.531,579 3.714,580 0.233,582 0.074,583 0.054,584 0.049,585 0.037,586 0.027,587 0.014,590 0.488,591 0.67,592 1,593 1.292,594 52.095,595 -0.06,596 0.104,597 0.009,598 0.088,599 -0.219,600 0.059,601 -0.055,602 -0.193,603 0.088,604 -0.031,605 0.063,606 0.044,607 -0.159,608 -0.01,609 -0.159,610 -0.078,611 -0.157,612 -0.11,613 0.082,614 0.095,615 0.118,616 0.11,617 0.072,618 0.121,619 0.011,620 0.005,621 -0.097,622 -0.105,623 0.1,624 -0.107,625 -0.205,626 -0.334,627 -0.49,628 -0.477,629 -0.301,630 -0.531,631 0.266,632 -0.103,633 0.19,634 -0.041,635 0.33,636 0.045,637 -0.512,638 0.037,639 -0.416,640 0.038,641 -0.643,642 -0.164,643 1.413,644 3.335,645 0.643,646 7.041,647 1.002,648 1.14,649 1.01,650 1.021,651 0.64,652 2.773,653 3.091,654 3.296,655 3.584,656 3.738,657 3.689,658 3.664,659 3.497,660 3.045,661 2.639,662 3.651,663 0.608,664 191.26,665 2.773,666 4.29,667 5.118,668 5.999,669 6.858,670 7.743,671 8.614,672 9.499,673 10.376,674 11.262,675 11.1,676 1,683 1,685 1,687 2,688 4,689 1,693 1,694 1,695 10,711 1,714 27,716 10,717 1,718 15,720 28,721 10,722 7,723 3,724 3,730 2,731 3,736 1,743 1,745 7,746 3,761 1,764 13,765 3,766 3,767 4,773 3,777 0.5,778 1,784 1,792 1,793 1,796 1,812 1,819 1,823 1,827 14,828 1,832 1,833 1,837 1,847 3.7,849 1,854 7.667,855 4.85,856 3.056,857 1.508,858 2.094,859 1.367,860 0.932,861 2.334,862 7.801,863 3.045,864 3.695,865 4.312,866 4.968,867 5.455,868 5.715,869 6.015,870 6.258,871 5.735,872 5.42,873 0.75,874 18,875 5.133,876 0.002,877 2.135,878 7.845,879 9.735,880 0.001,881 7.849,882 -0.001,883 2.345,884 32.833,885 0.005,888 117.711,889 53.124,890 51.337,892 42.683,895 53.124,896 160.394,897 51.337,898 8.825,899 35.003,900 28.429,901 71.117,902 13.397,903 2.144,904 105.94,906 117.711,907 104.461,908 42.683,911 82.398,912 77.997,915 54.652,916 33.146,917 16.663,919 117.711,920 94.02,921 53.124,924 117.711,925 6.823,926 48.078,928 92.244,929 117.711,930 94.02,931 53.124,933 0.582,934 0.313,935 0.179,936 0.105,937 11,938 5,939 0.071,940 2,941 1,942 1.222,943 2.59,944 87.957,945 0.222,946 9,947 53.303,951 9.339,952 3.498,953 1.851,954 1.936,955 92.244,956 6.97,957 4.202,961 0.254,962 1.805,963 75.581,964 264.855,965 20,975 27.051,976 30.78,977 0.33,978 0.764,979 0.895,980 0.932,981 0.932,982 0.932,983 4.256,984 -0.568,985 5.118,986 -0.337,987 3.761,988 4.376,990 5.916,991 3.689,992 5.484,993 -0.903,994 6.668,995 -1.501,996 3.434,997 4.311,999 6.804,1000 3.313,1001 6.8,1002 -1,1003 8.317,1004 -2,1005 5.333,1006 6.679,1008 9.888,1009 5.192,1010 8.156,1011 -1.291,1012 10.022,1013 -2.721,1014 5.771,1015 7.463,1017 11.631,1018 5.58,1019 9.546,1020 -1.521,1021 11.767,1022 -3.153,1023 7.204,1024 9.329,1026 14.245,1027 6.996,1028 10.963,1029 -1.883,1030 13.541,1031 -4.493,1032 8.01,1033 10.513,1035 16.35,1036 7.756,1037 12.4,1038 -1.931,1039 15.337,1040 -5.221,1041 9.255,1042 12.169,1044 18.793,1045 8.98,1046 3.094,1047 -2,1048 17.15,1049 -6.021,1050 10.237,1051 13.536,1053 21.042,1054 9.921,1055 2.345,1056 10.372,1057 18.978,1058 -6.715,1059 11.407,1060 15.103,1062 23.422,1063 11.066,1064 2.116,1065 6.481,1066 20.817,1067 4.502,1068 12.47,1069 16.549,1071 25.726,1072 12.091,1073 1.741,1074 5.776,1075 22.665,1076 3.07,1077 13.612,1078 18.08,1080 28.081,1081 13.205,1082 1.221,1083 4.59,1084 24.52,1085 2.689,1086 14.711,1087 19.56,1089 30.407,1090 14.268,1091 0.719,1092 3.263,1093 26.38,1094 2.086,1095 15.844,1096 21.075,1098 32.752,1099 15.37,1100 -0.14,1101 1.681,1102 28.244,1103 1.749,1104 16.959,1105 22.569,1107 35.086,1108 16.451,1109 1278,1110 2165,1111 9.652,1112 17.279,1113 22.867,1114 22.423,1115 23.46,1116 22.515,1117 22.472,1118 30.203,1120 64.327,1121 21.624,1122 5.313,1123 5.148,1124 5.905,1125 5.061,1126 5.094,1127 7.502,1129 17.087,1130 4.992,1131 7.21,1132 1.524,1133 1.495,1134 1.564,1135 1.501,1136 1.498,1137 2.014,1139 4.288,1140 1.442,1141 4.113,1142 4.154,1143 4.078,1144 3.995,1145 6.471,1146 4.009,1147 3.636,1148 3.709,1149 3.501,1150 3.465,1151 5.051,1152 3.462,1153 3.346,1154 3.406,1155 3.252,1156 3.139,1157 4.945,1158 3.16,1159 2.991,1160 3.056,1161 2.857,1162 2.834,1163 4.221,1164 2.83,1165 2.765,1166 2.91,1167 2.449,1168 2.526,1169 3.809,1170 2.491,1171 2.637,1172 2.768,1173 2.347,1174 2.226,1175 3.672,1176 2.235,1177 2.463,1178 2.518,1179 2.309,1180 2.108,1181 3.27,1182 2.143,1183 2.008,1184 2.119,1185 1.781,1186 1.564,1187 3.041,1188 1.605,1189 0.303,1190 0.21,1191 0.437,1192 0.271,1193 0.206,1194 4.55,1195 0.3,1196 3.148,1198 6.549,1199 0.691,1200 4.061,1201 0.199,1202 3.094,1203 4.502,1205 10.372,1206 2.992,1207 1.93,1208 1.908,1209 2.017,1210 2.037,1211 1.205,1212 2.031,1213 1.657,1214 1.584,1215 1.889,1216 1.872,1217 1.058,1218 1.88,1219 1.275,1220 1.2,1221 1.481,1222 1.565,1223 0.561,1224 1.543,1225 1.041,1226 0.993,1227 1.286,1228 1.266,1229 0.328,1230 1.267,1231 0.784,1232 0.695,1233 1.148,1234 1.144,1235 0.191,1236 1.166,1237 0.674,1238 0.543,1239 1.061,1240 0.965,1242 1.003,1243 0.468,1244 0.339,1245 0.823,1246 0.873,1248 0.875,1251 0.53,1252 0.519,1254 0.531,1255 3.434,1257 4.745,1258 2.398,1259 6.236,1260 4.727,1261 7.82,1262 6.823,1263 9.459,1265 1.927,1269 5.689,1270 9.335,1271 0.66,1275 0.056,1280 16.413,1281 42.302,1282 98.117,1283 114.872,1284 119.627,1285 119.627,1286 119.627,1287 17.93,1288 5.707,1289 64.07,1290 64.07,1291 11,1292 11.795,1293 3.459,1294 2.585,1295 21.246,1296 30,1297 27,1298 0.376,1299 104.577,1300 166.27,1301 246.927,1302 1612,1304 10.129,1305 0.724,1306 0.572,1307 10.129,1308 8.013,1309 6.665,1310 0.444,1311 0.304,1312 4.501,1313 6.392,1314 4.366,1315 3.663,1316 6.665,1317 4.567,1318 6.309,1319 0.3,1320 0.169,1321 6.309,1322 3.547,1323 4.598,1324 0.177,1325 0.08,1326 4.598,1327 2.089,1328 3.964,1329 0.113,1330 0.042,1331 3.964,1332 1.477,1333 3.169,1334 0.077,1335 0.024,1336 3.169,1337 0.972,1338 0.548,1339 41.883,1340 0.322,1341 13.913,1342 1.149,1343 72,1344 198.752,1345 79.266,1346 196.152,1347 268.47,1348 182,1349 83,1350 203.478,1351 90.628,1352 205.728,1353 296.68,1354 193,1355 5.104} {0 CHEMBL371655,1 1.372,2 14.415,3 6.613,4 43.734,5 166.218,6 6.775,7 0.5,8 4.471,9 4.596,10 3.974,11 4.034,12 5.459,13 3.989,14 5.052,15 5.247,16 4.362,17 4.452,18 5.959,19 4.392,20 5.32,21 5.535,22 4.508,23 4.664,24 6.219,25 4.583,26 5.458,27 5.672,28 4.549,29 4.764,30 6.377,31 4.663,32 5.579,33 5.814,34 4.543,35 4.809,36 6.472,37 4.688,38 5.597,39 5.852,40 4.492,41 4.797,42 6.439,43 4.661,44 5.564,45 5.827,46 4.414,47 4.741,48 6.399,49 4.594,50 5.446,51 5.7,52 4.321,53 4.627,54 6.3,55 4.491,56 0.066,57 1.153,58 18.341,59 7.804,60 12.612,61 10.81,62 0.316,63 1.966,64 34.805,65 12.76,66 28.668,67 18.325,68 0.451,69 2.52,70 46.039,71 16.684,72 39.029,73 24.066,74 0.412,75 2.776,76 52.814,77 20.351,78 53.057,79 28.617,80 0.555,81 3.009,82 60.717,83 22.995,84 71.808,85 32.38,86 0.609,87 3.051,88 62.141,89 23.303,90 69.363,91 33.405,92 0.689,93 2.911,94 60.407,95 22.948,96 74.196,97 32.768,98 0.438,99 2.598,100 53.424,101 19.988,102 61.641,103 28.482,104 42,105 67,106 0.207,107 0.514,108 0.728,109 0.833,110 0.846,111 0.853,112 3.742,113 0.971,114 -5.62,115 -5.49,116 -5.12,119 43.2,120 4,121 2,124 1,125 4,127 2,140 11,141 5,142 3,144 2,156 1,169 16,171 1,172 14,178 19,181 2,182 14,189 18,192 1,193 14,199 20,202 1,203 13,211 23,214 2,215 8,222 23,225 4,226 8,233 22,237 9,244 12,248 1,249 18,256 8,259 3359,260 28.032,261 28.032,262 28.032,263 28.032,264 28.032,265 25.298,266 31.512,267 16.218,268 28.56,269 22.595,270 22.595,271 22.595,272 22.595,273 22.595,274 18.267,275 46.307,276 7.481,277 23.367,278 4.968,279 2.935,280 1.517,281 0.821,282 0.738,283 0.689,284 4.454,290 1299,291 3.674,294 91.741,295 559.666,298 164.675,299 176.759,302 2.132,303 27.958,306 0.5,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.72,314 86,315 591,316 4.682,317 3.775,318 6.94,319 4.288,320 3.306,321 4.609,322 1.2,323 11.692,324 3.26,325 4.507,326 3.406,327 6.734,328 4.154,329 3.183,330 4.149,331 0.86,332 11.006,333 3.083,334 4.2,335 3.211,336 6.536,337 3.98,338 3.033,339 3.758,340 0.8,341 10.261,342 2.865,343 4.065,344 3.117,345 6.344,346 3.787,347 2.822,348 3.426,349 0.8,350 9.531,351 2.73,352 3.918,353 2.896,354 6.181,355 3.617,356 2.659,357 3.182,358 0.293,359 9.018,360 2.534,361 3.736,362 2.673,363 5.686,364 3.363,365 2.377,366 2.961,368 7.436,369 2.336,370 3.497,371 2.466,372 5.287,373 3.108,374 2.132,375 2.864,377 6.419,378 2.085,379 3.269,380 2.282,381 5.116,382 2.955,383 2.011,384 2.47,386 5.913,387 1.889,388 3.046,389 1.982,390 4.912,391 2.856,392 1.879,393 2.21,395 5.235,396 1.833,397 2.979,398 1.944,399 4.879,400 2.686,401 1.72,402 2.174,404 5.225,405 1.652,406 2.879,407 1.813,408 4.52,409 2.51,410 1.518,411 1.897,413 4.28,414 1.505,415 2.775,416 1.608,417 4.335,418 2.468,419 1.487,420 1.879,422 3.942,423 1.455,424 2.747,425 1.561,426 3.927,427 2.275,428 1.279,429 1.79,431 2.877,432 1.274,433 2.641,434 1.368,435 3.809,436 2.24,437 1.261,438 1.708,440 2.74,441 1.232,442 2.391,443 1.277,444 3.595,445 2.146,446 1.164,447 1.348,449 2.702,450 1.141,451 19.767,452 0.482,453 1.041,454 0.025,455 51.5,456 1.256,457 25,458 0.61,459 26.5,460 0.646,461 45.644,462 1.113,463 43.833,464 0.541,465 43.76,466 1.067,467 9.673,468 0.236,469 10.215,470 0.249,471 0.143,473 0.39,479 0.782,480 1.373,481 0.86,482 1.14,483 0.644,484 1.027,485 1.111,486 1.087,487 0.872,488 0.876,489 0.626,490 0.847,491 1.104,492 0.963,493 0.971,494 0.899,495 0.803,496 0.904,497 1.148,498 1.084,499 1.035,500 1.075,501 1.244,502 1.047,503 1.26,504 1.058,505 1.033,506 1.033,507 1.334,508 1.02,509 1.034,510 0.96,511 0.984,512 0.963,513 1.009,514 0.968,515 0.916,516 0.902,517 0.953,518 0.945,519 0.817,520 0.954,521 1.176,522 1.026,523 1.005,524 1.013,525 1.413,526 0.997,527 7.5,528 0.329,529 5.556,530 3.694,531 3.098,532 1.879,533 1.408,534 0.886,535 0.655,536 0.408,537 27255,538 54875,539 2.117,540 49.4,541 3,542 24,546 3,547 10,550 1.808,551 1.968,552 3.79,553 -0.848,559 111.126,560 1.372,561 3.405,562 4.823,563 5.519,564 5.602,565 5.651,566 3.248,567 5.114,568 5.327,569 3.942,570 3232.09,571 9.428,572 54682.3,577 513.528,578 1.45,579 5.284,580 0.163,581 0.007,582 0.083,583 0.049,584 0.04,585 0.025,586 0.02,587 0.014,588 0.011,589 0.008,590 0.419,591 0.33,592 0.63,593 0.88,594 230.603,595 0.041,596 -0.199,597 0.082,598 -0.065,599 -0.019,600 -0.002,601 0.005,602 0.041,603 0.119,604 0.118,605 0.069,606 0.127,607 -0.024,608 0.148,609 0.022,610 0.08,611 0.042,612 0.064,613 -0.043,614 -0.038,615 -0.048,616 -0.07,617 0.013,618 -0.059,619 -0.043,620 -0.065,621 -0.032,622 -0.038,623 -0.034,624 -0.037,625 0.017,626 0.028,627 0.01,628 0.02,629 -0.002,630 0.016,631 0.118,632 0.064,633 0.04,634 0.04,635 0.125,636 0.033,637 -0.053,638 -0.049,639 -0.007,640 -0.029,641 -0.052,642 -0.015,643 1.63,644 7.245,645 0.756,646 49.336,647 0.987,648 1.122,649 4.387,650 19.247,651 0.662,652 3.85,653 4.22,654 4.575,655 4.905,656 5.182,657 5.352,658 5.565,659 5.749,660 5.9,661 6.033,662 8.182,663 0.617,664 548.79,665 3.85,666 5.425,667 6.315,668 7.228,669 8.135,670 9.054,671 9.968,672 10.89,673 11.808,674 12.731,675 4.9,678 1,681 1,682 1,685 1,687 2,688 11,689 1,693 8,695 23,703 1,709 1,712 1,714 81,716 24,717 3,718 46,720 86,721 35,722 21,723 8,724 8,725 1,730 6,731 8,736 4,740 3,743 4,745 22,746 13,750 1,755 1,759 1,764 40,765 6,767 6,773 4,777 0.667,778 2,786 1,792 1,793 5,796 1,797 1,815 1,819 4,823 5,827 41,833 6,835 1,837 2,838 3,847 2.5,850 1,852 1,854 20.833,855 16.217,856 9,857 5.346,858 4.149,859 1.448,860 0.995,861 7.761,862 13.42,863 4.086,864 4.705,865 5.346,866 5.972,867 6.573,868 6.941,869 7.418,870 7.844,871 8.256,872 8.572,873 0.9,874 76,875 15.259,877 6.542,878 7.488,879 30.076,881 25.564,883 1.988,884 81.5,888 470.844,889 199.592,890 26.158,892 36.145,895 199.592,896 506.989,897 26.158,898 46.184,899 16.616,900 104.239,901 46.635,902 48.222,904 470.844,906 470.844,907 225.751,908 36.145,911 353.133,912 153.856,915 60.555,916 148.41,917 16.786,919 470.844,920 62.303,921 199.592,924 470.844,925 49.17,926 159.796,928 52.93,929 470.844,930 62.303,931 199.592,933 0.585,934 0.362,935 0.21,936 0.117,937 34,938 16,939 0.07,940 6,941 2,942 1.129,943 4.811,944 448.426,945 0.129,946 31,947 211.66,951 27.752,952 11.466,953 5.109,954 1.995,955 62.303,956 22.617,957 4.756,961 7.782,964 732.74,965 58.5,970 14.245,974 0.036,975 79.967,976 90.886,977 0.216,978 0.537,979 0.761,980 0.87,981 0.884,982 0.891,983 5.36,984 2.011,985 6.323,986 6.419,987 4.905,988 5.394,989 1.985,990 7.206,991 4.843,992 6.572,993 1.879,994 7.926,995 5.913,996 4.575,997 5.255,998 0.766,999 8.231,1000 4.475,1001 7.895,1002 1.72,1003 9.631,1004 5.235,1005 6.567,1006 7.613,1007 1.879,1008 11.384,1009 6.441,1010 9.254,1011 1.518,1012 11.394,1013 5.225,1014 7.066,1015 8.316,1016 0.931,1017 13.222,1018 6.903,1019 10.648,1020 1.487,1021 13.194,1022 4.28,1023 8.531,1024 10.166,1025 1.952,1026 15.894,1027 8.346,1028 12.066,1029 1.279,1030 15.019,1031 3.942,1032 9.398,1033 11.27,1034 1.142,1035 18.06,1036 9.182,1037 13.503,1038 1.261,1039 16.862,1040 2.877,1041 10.665,1042 12.914,1043 2.113,1044 20.567,1045 10.428,1046 3.306,1047 1.164,1048 18.717,1049 2.74,1050 11.697,1051 14.218,1052 1.436,1053 22.872,1054 11.434,1055 3.183,1056 11.692,1057 20.583,1058 2.702,1059 12.891,1060 15.775,1061 2.33,1062 25.321,1063 12.608,1064 3.033,1065 11.006,1066 22.457,1067 4.609,1068 13.995,1069 17.18,1070 1.783,1071 27.689,1072 13.689,1073 2.822,1074 10.261,1075 24.336,1076 4.149,1077 15.164,1078 18.703,1079 2.586,1080 30.119,1081 14.84,1082 2.659,1083 9.531,1084 26.221,1085 3.758,1086 16.301,1087 20.159,1088 2.156,1089 32.518,1090 15.958,1091 2.377,1092 9.018,1093 28.11,1094 3.426,1095 17.465,1096 21.671,1097 2.87,1098 34.944,1099 17.105,1100 2.132,1101 7.436,1102 30.003,1103 3.182,1104 18.617,1105 23.154,1106 2.541,1107 37.359,1108 18.24,1109 25456,1110 36409,1111 30.748,1112 53.637,1113 70.142,1114 71.537,1115 73.578,1116 69.868,1117 69.9,1118 88.357,1119 7.906,1120 210.914,1121 67.767,1122 5.682,1123 5.775,1124 6.699,1125 5.356,1126 5.306,1127 7.609,1128 2.293,1129 19.475,1130 5.26,1131 21.772,1132 1.525,1133 1.555,1134 1.6,1135 1.519,1136 1.52,1137 1.921,1138 0.172,1139 4.585,1140 1.473,1141 4.147,1142 4.169,1143 4.111,1144 4.095,1145 7.428,1146 4.096,1147 4.02,1148 4.053,1149 3.973,1150 3.93,1151 4.958,1152 3.937,1153 3.867,1154 3.925,1155 3.787,1156 3.748,1157 4.847,1158 3.751,1159 3.829,1160 3.87,1161 3.748,1162 3.693,1163 4.76,1164 3.698,1165 3.567,1166 3.633,1167 3.48,1168 3.423,1169 4.437,1170 3.425,1171 3.502,1172 3.55,1173 3.354,1174 3.377,1175 4.393,1176 3.36,1177 3.422,1178 3.473,1179 3.283,1180 3.272,1181 4.287,1182 3.271,1183 3.367,1184 3.452,1185 3.151,1186 3.217,1187 4.075,1188 3.19,1189 0.102,1190 0.082,1191 0.151,1192 0.093,1193 0.072,1194 4.682,1195 0.1,1196 3.775,1197 0.026,1198 6.94,1199 0.254,1200 4.288,1201 0.071,1202 3.306,1203 4.609,1204 1.2,1205 11.692,1206 3.26,1207 2.1,1208 2.085,1209 2.164,1210 2.154,1211 1.386,1212 2.157,1213 1.927,1214 1.896,1215 2.064,1216 2.083,1217 1.33,1218 2.081,1219 1.82,1220 1.784,1221 1.948,1222 1.942,1223 1.184,1224 1.945,1225 1.788,1226 1.735,1227 1.941,1228 1.925,1229 1.102,1230 1.931,1231 1.552,1232 1.502,1233 1.848,1234 1.745,1235 1.008,1236 1.784,1237 1.541,1238 1.471,1239 1.736,1240 1.737,1241 0.979,1242 1.739,1243 1.437,1244 1.382,1245 1.733,1246 1.606,1247 0.97,1248 1.655,1249 1.405,1250 1.325,1251 1.646,1252 1.576,1253 0.715,1254 1.602,1255 4.533,1257 5.889,1258 2.398,1259 7.453,1260 4.727,1261 9.115,1262 6.843,1263 10.828,1265 10.63,1271 5.627,1273 5.906,1275 0.893,1276 7.013,1280 49.998,1281 111.126,1282 275.784,1283 390.68,1284 446.999,1285 453.753,1286 457.753,1287 69.264,1288 9.27,1289 48.91,1290 48.91,1291 35,1292 13.238,1293 4.644,1294 3.755,1295 59.335,1296 201,1297 229,1298 0.143,1299 302.183,1300 526.2,1301 729.086,1302 161440,1304 28.673,1305 0.699,1306 0.606,1307 28.673,1308 24.854,1309 19.889,1310 0.432,1311 0.324,1312 14.732,1313 19.314,1314 14.194,1315 11.825,1316 19.889,1317 14.884,1318 18.016,1319 0.269,1320 0.173,1321 18.016,1322 11.571,1323 16.086,1324 0.168,1325 0.091,1326 16.086,1327 8.764,1328 14.318,1329 0.107,1330 0.051,1331 14.318,1332 6.825,1333 11.818,1334 0.067,1335 0.027,1336 11.818,1337 4.778,1338 0.225,1339 123.082,1340 0.18,1341 36.189,1342 0.395,1343 226,1344 532.052,1345 241.057,1346 521.547,1347 742.08,1348 494,1349 276,1350 570.154,1351 292.917,1352 582.439,1353 864.86,1354 550,1355 6.8} {0 CHEMBL372453,1 1.589,2 13.742,3 3.549,4 12.596,5 125.906,6 7.279,7 0.353,8 4.203,9 4.336,10 3.757,11 3.68,12 5.202,13 3.655,14 4.787,15 4.995,16 4.117,17 4.083,18 5.733,19 4.037,20 5.039,21 5.26,22 4.192,23 4.296,24 5.941,25 4.204,26 5.148,27 5.387,28 4.087,29 4.31,30 6.041,31 4.181,32 5.172,33 5.442,34 4.037,35 4.241,36 6.043,37 4.114,38 5.032,39 5.282,40 3.996,41 4.179,42 5.885,43 4.047,44 4.999,45 5.263,46 3.957,47 4.095,48 5.919,49 3.955,50 4.912,51 5.178,52 3.834,53 3.912,54 5.888,55 3.817,56 0.011,57 0.914,58 13.611,59 5.231,60 7.919,61 7.522,62 0.413,63 1.458,64 27.762,65 8.186,66 28.978,67 12.362,68 0.443,69 1.77,70 37.494,71 11.838,72 32.977,73 17.242,74 0.358,75 1.831,76 41.807,77 14.119,78 48.656,79 20.274,80 0.666,81 1.783,82 43.416,83 13.313,84 62.835,85 19.776,86 0.444,87 1.615,88 36.886,89 12.241,90 38.2,91 17.855,92 0.476,93 1.487,94 39.98,95 11.789,96 51.085,97 17.353,98 0.561,99 1.298,100 37.978,101 9.198,102 59.227,103 13.726,104 18,105 47,106 0.258,107 0.509,108 0.646,109 0.753,110 0.811,111 0.811,112 3.471,113 0.979,114 -3.51,115 -3.48,116 -3.33,119 37.7,124 2,125 8,140 7,142 5,157 1,169 3,171 1,172 4,174 2,176 2,178 5,181 3,182 5,186 1,189 5,193 5,195 1,202 1,203 6,206 2,214 3,215 3,225 2,226 5,229 1,231 2,237 4,242 2,248 3,256 4,259 1658,260 21.041,261 21.041,262 21.041,263 21.041,264 21.041,265 19.46,266 34.189,267 12.295,268 21.839,269 16.69,270 16.69,271 16.69,272 16.69,273 16.69,274 14.209,275 51.167,276 5.76,277 17.911,278 4.342,279 2.802,280 1.958,281 1.3,282 0.943,283 0.943,284 4.168,285 1,288 1,289 1,290 922,291 3.082,295 448.668,302 2.154,303 23.002,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 66.833,315 426,316 4.354,317 3.692,318 6.521,319 4.007,320 3.059,321 3.963,322 1.701,323 10.269,324 2.899,325 4.14,326 3.301,327 6.172,328 3.858,329 2.92,330 3.675,331 0.86,332 9.134,333 2.736,334 3.964,335 3.125,336 6.013,337 3.677,338 2.729,339 3.18,340 0.8,341 8.579,342 2.575,343 3.627,344 2.856,345 5.352,346 3.397,347 2.465,348 2.889,349 0.8,350 6.878,351 2.295,352 3.557,353 2.78,354 5.208,355 3.216,356 2.314,357 2.771,358 0.8,359 6.414,360 2.093,361 3.416,362 2.441,363 5.043,364 3.111,365 2.184,366 2.526,367 0.563,368 6.087,369 1.959,370 3.101,371 2.401,372 4.923,373 2.873,374 1.965,375 2.18,376 0.075,377 5.603,378 1.781,379 2.885,380 2.244,381 4.402,382 2.553,383 1.594,384 1.923,386 4.295,387 1.486,388 2.5,389 1.641,390 4.028,391 2.111,392 1.152,393 1.5,395 3.194,396 1.103,397 2.468,398 1.335,399 3.94,400 2.089,401 1.127,402 1.46,404 3.002,405 1.06,406 2.38,407 1.146,408 3.414,409 2,410 1,411 1.319,413 2.275,414 1,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.095,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.794,434 1,435 3.019,436 1.512,437 0.627,438 0.703,440 1.106,441 0.547,442 1.154,443 0.547,444 2.757,445 0.84,446 -0.062,447 -0.071,449 -0.132,450 -0.05,451 14.881,452 0.48,453 0.729,454 0.024,455 37,456 1.194,457 15.5,458 0.5,459 21.5,460 0.694,461 28.714,462 0.926,463 34.919,464 0.572,465 28.54,466 0.921,467 7.489,468 0.242,469 7.54,470 0.243,471 0.138,473 0.309,479 0.817,480 1.713,481 0.708,482 1.22,483 0.568,484 1.071,485 1.13,486 1.044,487 0.815,488 0.778,489 0.576,490 0.826,491 1.036,492 1.021,493 1.016,494 1.01,495 0.844,496 1.039,497 0.977,498 1.193,499 0.941,500 1.175,501 1.221,502 1.15,503 1.021,504 0.877,505 0.74,506 0.843,507 1.292,508 0.89,509 0.884,510 1.089,511 0.824,512 1.026,513 0.853,514 1.053,515 0.82,516 1.092,517 1.047,518 1.098,519 0.915,520 1.039,521 1.642,522 0.885,523 1.12,524 0.851,525 1.993,526 0.835,527 6.5,528 0.128,529 4,530 1.688,531 1.56,532 1.083,533 0.807,534 0.573,535 0.324,536 0.168,537 14174,538 35903,539 2.084,540 49.2,542 29,545 1,550 1.733,551 1.958,552 3.713,553 -0.329,555 1,559 96.917,560 1.589,561 3.129,562 3.973,563 4.631,564 4.988,565 4.988,566 3.205,567 4.503,568 4.924,569 3.881,570 1804.72,571 8.583,572 26539.2,574 1,577 361.775,578 1.383,579 4.888,580 0.191,581 0.005,582 0.085,583 0.034,584 0.036,585 0.026,586 0.021,587 0.016,588 0.01,589 0.006,590 0.432,591 0.5,592 1,593 0.701,594 163.525,595 -0.016,596 -0.411,597 0.053,598 -0.159,599 0.001,600 -0.054,601 -0.056,602 0.145,603 0.032,604 0.159,605 0.084,606 0.11,607 -0.082,608 0.095,609 -0.106,610 -0.03,611 -0.028,612 -0.067,613 -0.057,614 -0.192,615 -0.093,616 -0.182,617 -0.075,618 -0.156,619 0.016,620 0.073,621 0.052,622 0.08,623 -0.069,624 0.065,625 0.036,626 -0.093,627 -0.001,628 -0.059,629 -0.021,630 -0.072,631 0.132,632 -0.139,633 0.001,634 -0.113,635 0.11,636 -0.053,637 -0.197,638 0.045,639 -0.041,640 0.06,641 -0.123,642 0.083,643 1.731,644 5.868,645 0.774,646 35.274,647 1,648 1.135,649 2.277,650 5.186,651 0.651,652 3.555,653 3.871,654 4.127,655 4.344,656 4.605,657 4.644,658 4.745,659 4.804,660 4.86,661 4.934,662 7.797,663 0.61,664 444.03,665 3.555,666 5.094,667 5.938,668 6.804,669 7.662,670 8.531,671 9.396,672 10.266,673 11.132,674 12.003,675 8.2,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 1,713 1,714 61,716 13,717 2,718 34,720 64,721 23,722 12,723 5,724 7,730 4,731 4,732 1,735 1,745 13,746 10,750 1,755 1,759 1,761 1,764 30,765 7,766 1,767 8,768 1,773 5,777 1,778 2,793 4,815 1,819 4,823 2,824 1,827 31,833 8,834 1,835 1,838 4,846 1,847 3.3,850 1,852 1,854 15.833,855 11.36,856 6.861,857 3.623,858 2.091,859 1.27,860 0.976,861 7.353,862 9.827,863 3.738,864 4.248,865 4.723,866 5.183,867 5.673,868 5.761,869 5.976,870 6.141,871 6.26,872 6.474,873 1,874 49,875 11.49,877 4.789,878 7.6,879 22.41,881 18.357,883 2.1,884 65.111,887 1,888 341.362,889 123.749,890 30.508,891 39.149,892 36.145,895 123.749,896 416.655,897 30.508,898 19.279,899 37.981,900 66.334,901 25.145,902 37.387,903 4.276,904 341.362,905 39.149,906 341.362,907 154.257,908 36.145,909 39.149,911 341.362,912 36.145,915 41.105,916 113.152,917 39.149,919 341.362,920 66.653,921 162.898,924 341.362,925 38.136,926 98.11,927 18.011,928 75.293,929 341.362,930 66.653,931 162.898,933 0.581,934 0.34,935 0.175,936 0.101,937 22,938 10,939 0.063,940 4,942 1,943 4.289,944 273.287,946 24,947 141.58,951 22.366,952 10.191,953 5.51,955 66.653,956 13.702,961 4.522,963 18.011,964 570.912,965 41,970 12.868,974 -0.065,975 60.974,976 69.252,977 0.268,978 0.528,979 0.67,980 0.781,981 0.841,982 0.841,983 4.99,984 1.594,985 5.916,986 5.603,987 4.554,988 4.934,989 2.379,990 6.698,991 4.422,992 6.152,993 1.152,994 7.461,995 4.295,996 4.111,997 4.649,998 1.577,999 7.545,1000 3.866,1001 7.433,1002 1.127,1003 9.101,1004 3.194,1005 6.129,1006 6.97,1007 2.694,1008 10.599,1009 5.873,1010 8.742,1011 1,1012 10.796,1013 3.002,1014 6.479,1015 7.468,1016 2.548,1017 12.259,1018 6.119,1019 10.082,1020 1,1021 12.527,1022 2.275,1023 7.961,1024 9.299,1025 3.441,1026 14.826,1027 7.588,1028 11.442,1029 1,1030 14.282,1031 2.275,1032 8.679,1033 10.165,1034 3.624,1035 16.836,1036 8.219,1037 12.817,1038 0.627,1039 16.056,1040 2.275,1041 9.936,1042 11.784,1043 4.372,1044 19.229,1045 9.45,1046 3.059,1047 -0.062,1048 17.844,1049 1.106,1050 10.839,1051 12.85,1052 4.72,1053 21.397,1054 10.278,1055 2.92,1056 10.269,1057 19.643,1058 -0.132,1059 11.996,1060 14.359,1061 5.376,1062 23.727,1063 11.4,1064 2.729,1065 9.134,1066 21.451,1067 3.963,1068 12.992,1069 15.541,1070 5.809,1071 25.968,1072 12.33,1073 2.465,1074 8.579,1075 23.266,1076 3.675,1077 14.108,1078 16.989,1079 6.41,1080 28.278,1081 13.403,1082 2.314,1083 6.878,1084 25.088,1085 3.18,1086 15.152,1087 18.242,1088 6.887,1089 30.554,1090 14.385,1091 2.184,1092 6.414,1093 26.915,1094 2.889,1095 16.251,1096 19.654,1097 7.458,1098 32.86,1099 15.437,1100 1.965,1101 6.087,1102 28.746,1103 2.771,1104 17.32,1105 20.95,1106 7.96,1107 35.153,1108 16.448,1109 13439,1110 21549,1111 22.77,1112 39.694,1113 50.607,1114 51.754,1115 52.314,1116 50.49,1117 50.271,1118 60.18,1119 11.2,1120 142.773,1121 46.933,1122 5.354,1123 5.692,1124 6.062,1125 5.075,1126 5.059,1127 6.963,1128 2.972,1129 16.994,1130 4.899,1131 15.175,1132 1.488,1133 1.522,1134 1.539,1135 1.485,1136 1.479,1137 1.77,1138 0.329,1139 4.199,1140 1.38,1141 4.005,1142 4.05,1143 4.011,1144 3.888,1145 7.429,1146 3.894,1147 3.93,1148 3.971,1149 3.924,1150 3.842,1151 4.946,1152 3.842,1153 3.765,1154 3.827,1155 3.715,1156 3.569,1157 4.861,1158 3.582,1159 3.712,1160 3.766,1161 3.621,1162 3.545,1163 4.437,1164 3.55,1165 3.36,1166 3.41,1167 3.383,1168 3.079,1169 4.403,1170 3.123,1171 3.211,1172 3.303,1173 3.176,1174 2.941,1175 4.348,1176 2.941,1177 3.168,1178 3.243,1179 3.018,1180 2.941,1181 4.146,1182 2.93,1183 3.111,1184 3.206,1185 2.985,1186 2.94,1187 3.885,1188 2.91,1189 0.128,1190 0.109,1191 0.192,1192 0.118,1193 0.09,1194 4.354,1195 0.117,1196 3.692,1197 0.05,1198 6.521,1199 0.302,1200 4.007,1201 0.085,1202 3.059,1203 3.963,1204 1.701,1205 10.269,1206 2.899,1207 1.922,1208 1.89,1209 2.039,1210 2.079,1211 1.306,1212 2.07,1213 1.905,1214 1.874,1215 2.022,1216 2.044,1217 1.293,1218 2.043,1219 1.718,1220 1.65,1221 1.905,1222 1.917,1223 1.052,1224 1.917,1225 1.678,1226 1.616,1227 1.861,1228 1.85,1229 1.02,1230 1.86,1231 1.243,1232 1.186,1233 1.573,1234 1.561,1235 0.825,1236 1.554,1237 1.174,1238 1.074,1239 1.54,1240 1.474,1241 0.825,1242 1.497,1243 1.153,1244 1.064,1245 1.513,1246 1.396,1247 0.641,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.576,1254 1.429,1255 4.234,1257 5.549,1259 7.062,1261 8.657,1263 10.293,1265 3.825,1266 5.986,1271 6.851,1272 3.072,1273 5.571,1276 8.781,1280 37.212,1281 96.917,1282 190.855,1283 242.349,1284 282.491,1285 304.265,1286 304.265,1287 49.323,1288 7.736,1289 51.29,1290 51.29,1291 24,1292 12.547,1293 3.807,1294 3,1295 49.669,1296 146,1297 154,1298 0.164,1299 231.626,1300 404.53,1301 556.927,1302 26222,1303 1.6,1304 21.794,1305 0.703,1306 0.611,1307 22.294,1308 18.938,1309 15.029,1310 0.442,1311 0.326,1312 10.548,1313 14.025,1314 10.239,1315 8.441,1316 15.318,1317 11.091,1318 13.439,1319 0.286,1320 0.181,1321 13.847,1322 8.494,1323 11.401,1324 0.187,1325 0.103,1326 11.689,1327 6.285,1328 9.032,1329 0.119,1330 0.055,1331 9.199,1332 4.21,1333 7.584,1334 0.077,1335 0.031,1336 7.798,1337 3.092,1338 0.264,1339 97.873,1340 0.21,1341 29.576,1342 0.433,1343 162,1344 448.588,1345 193.824,1346 457.708,1347 616.37,1348 430,1349 189,1350 427.509,1351 216.564,1352 442.517,1353 644.84,1354 414,1355 8.186} {0 CHEMBL372651,1 1.491,2 13.583,3 3.694,4 13.643,5 140.877,6 7.581,7 0.537,8 4.256,9 4.381,10 3.857,11 3.823,12 5.345,13 3.806,14 4.813,15 4.995,16 4.236,17 4.245,18 5.811,19 4.21,20 5.074,21 5.29,22 4.336,23 4.404,24 6.064,25 4.346,26 5.13,27 5.337,28 4.352,29 4.431,30 6.224,31 4.369,32 5.146,33 5.359,34 4.298,35 4.451,36 6.17,37 4.369,38 5.162,39 5.378,40 4.271,41 4.438,42 6.143,43 4.344,44 5.183,45 5.439,46 4.172,47 4.363,48 6.16,49 4.258,50 5.044,51 5.283,52 4.075,53 4.283,54 5.998,55 4.176,56 0.043,57 0.999,58 12.246,59 5.34,60 10.831,61 7.111,62 0.232,63 1.663,64 24.14,65 8.928,66 18.327,67 12.387,68 0.275,69 2.039,70 33.587,71 12.068,72 31.318,73 16.96,74 0.475,75 2.126,76 35.577,77 12.431,78 60.065,79 17.077,80 0.398,81 2.119,82 36.509,83 13.621,84 56.678,85 18.567,86 0.27,87 2.138,88 36.981,89 14.105,90 48.13,91 19.486,92 0.516,93 2.11,94 40.68,95 13.786,96 64.489,97 19.758,98 0.285,99 1.834,100 34.304,101 12.904,102 42.45,103 18.038,104 14,105 59,106 0.235,107 0.597,108 0.751,109 0.843,110 0.843,111 0.843,112 3.616,113 0.91,114 -4.42,115 -4.35,116 -4.1,119 44.4,120 1,121 2,125 5,140 7,141 5,142 2,143 2,145 1,150 1,156 2,164 1,169 11,171 2,172 14,178 12,182 14,184 1,189 9,192 4,193 15,199 9,202 2,203 8,206 1,208 1,211 8,214 1,215 13,220 2,222 8,225 3,226 11,231 2,233 7,237 6,240 1,242 1,244 9,248 4,249 5,254 1,256 12,259 2386,260 25.17,261 25.17,262 25.17,263 25.17,264 25.17,265 22.518,266 33.062,267 14.582,268 25.594,269 20.112,270 20.112,271 20.112,272 20.112,273 20.112,274 15.769,275 37.849,276 6.712,277 20.802,278 4.486,279 2.179,280 1.2,281 0.615,282 0.615,283 0.615,284 4.335,289 1,290 1097,291 3.317,294 158.606,295 369.011,298 116.626,299 136.237,302 2.083,303 29.81,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 76.5,315 489,316 4.646,317 4.057,318 6.92,319 4.275,320 3.303,321 4.535,322 2.035,323 11.608,324 3.21,325 4.549,326 3.783,327 6.744,328 4.137,329 3.166,330 4.262,331 1.2,332 11.036,333 3.077,334 4.231,335 3.315,336 6.552,337 3.906,338 2.956,339 3.713,340 0.8,341 10.313,342 2.811,343 4.059,344 3.199,345 6.041,346 3.627,347 2.641,348 3.589,349 0.4,350 8.566,351 2.603,352 3.819,353 2.998,354 5.737,355 3.432,356 2.465,357 3.136,358 0.293,359 7.68,360 2.377,361 3.643,362 2.576,363 5.425,364 3.281,365 2.299,366 2.951,368 6.876,369 2.244,370 3.372,371 2.52,372 5.246,373 2.965,374 1.988,375 2.54,377 6.249,378 1.939,379 3.146,380 2.211,381 4.846,382 2.765,383 1.787,384 2.336,386 5.152,387 1.746,388 2.983,389 2.054,390 4.601,391 2.537,392 1.582,393 2.08,395 4.224,396 1.505,397 2.931,398 1.867,399 4.282,400 2.384,401 1.419,402 1.774,404 3.852,405 1.366,406 2.696,407 1.582,408 4.004,409 2.252,410 1.288,411 1.719,413 3.122,414 1.239,415 2.642,416 1.506,417 3.875,418 2.174,419 1.222,420 1.539,422 2.941,423 1.161,424 2.5,425 1.411,426 3.609,427 2.042,428 1.088,429 1.5,431 2.717,432 1.035,433 2.498,434 1.245,435 3.532,436 2,437 1,438 1.204,440 2.275,441 1,442 2.229,443 1.218,444 3.414,445 1.967,446 1,447 1.109,449 2.136,450 0.965,451 17.133,452 0.476,453 0.757,454 0.021,455 49.75,456 1.382,457 25.5,458 0.708,459 24.25,460 0.674,461 32.074,462 0.891,463 36.867,464 0.585,465 39.693,466 1.103,467 9.428,468 0.262,469 8.245,470 0.229,471 0.072,473 0.362,479 0.726,480 1.307,481 0.744,482 1.047,483 0.476,484 0.921,485 0.924,486 1.103,487 0.852,488 0.907,489 0.506,490 0.867,491 1.014,492 1.03,493 0.88,494 0.919,495 0.641,496 0.882,497 1.28,498 1.007,499 1.063,500 0.993,501 1.274,502 1,503 1.206,504 0.958,505 1.069,506 1.024,507 1.268,508 1.036,509 1.07,510 1.204,511 1.072,512 1.202,513 0.969,514 1.158,515 1.08,516 0.891,517 1.013,518 0.925,519 0.828,520 0.952,521 1.002,522 1.003,523 0.991,524 1.06,525 1.03,526 1.037,527 5.5,528 0.226,529 4.667,530 2.667,531 2.371,532 1.327,533 0.992,534 0.687,535 0.466,536 0.292,537 20177,538 49305,539 2.185,540 42.9,541 3,542 17,544 2,545 1,546 2,547 2,550 1.776,551 2.077,552 3.705,553 -0.383,559 93.929,560 1.491,561 3.798,562 4.777,563 5.362,564 5.362,565 5.362,566 3.208,567 4.892,568 5.139,569 3.838,570 2418.07,571 9.044,572 37325.6,577 376.569,578 1.301,579 5.116,580 0.134,581 0.006,582 0.079,583 0.042,584 0.038,585 0.022,586 0.017,587 0.013,588 0.01,589 0.007,590 0.369,591 0.17,592 0.75,593 0.674,594 194.891,595 0.048,596 -0.158,597 0.075,598 -0.054,599 0.047,601 0.007,602 0.005,603 0.05,604 0.055,605 0.022,606 0.06,607 -0.048,608 0.005,609 0.073,610 0.055,611 0.06,612 0.08,613 -0.033,614 0.035,615 -0.097,616 -0.034,617 -0.05,618 -0.065,619 -0.092,620 0.04,621 -0.107,622 -0.033,623 -0.131,624 -0.067,625 -0.057,626 -0.226,627 -0.112,628 -0.201,629 -0.049,630 -0.173,631 0.009,632 0.071,633 0.006,634 0.05,635 0.089,636 0.035,637 -0.024,638 -0.066,639 -0.002,640 -0.047,641 -0.005,642 -0.027,643 1.697,644 6.852,645 0.833,646 40.364,647 0.998,648 1.125,649 3.188,650 10.162,651 0.684,652 3.738,653 4.094,654 4.466,655 4.787,656 5.043,657 5.209,658 5.434,659 5.628,660 5.775,661 5.908,662 7.596,663 0.653,664 477.62,665 3.738,666 5.303,667 6.196,668 7.102,669 8.011,670 8.925,671 9.841,672 10.759,673 11.679,674 12.6,675 11.1,677 1,681 1,682 1,683 1,684 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,697 1,703 1,709 1,714 63,716 24,717 2,718 41,720 68,721 28,722 18,723 6,724 6,725 1,730 6,731 9,736 1,740 1,743 2,744 1,745 19,746 8,750 1,755 1,759 1,764 27,765 7,766 1,767 8,773 7,777 0.667,778 1,784 1,786 1,792 2,793 4,796 1,797 1,814 1,819 4,823 1,827 36,833 7,834 1,838 2,840 1,843 1,845 1,847 1.6,850 1,854 17.333,855 11.867,856 7.944,857 4.157,858 4.488,859 1.494,860 1.036,861 5.928,862 13.578,863 4.025,864 4.637,865 5.316,866 5.94,867 6.496,868 6.914,869 7.387,870 7.806,871 8.206,872 8.499,873 1,874 64,875 13.342,877 5.817,878 7.644,879 25.86,881 22.036,883 2.144,884 77.167,888 306.049,889 155.459,890 90.544,892 25.145,895 155.459,896 331.194,897 90.544,898 8.825,899 18.722,900 84.344,901 103.442,902 74.271,903 5.085,904 282.506,906 306.049,907 246.002,908 25.145,911 282.506,912 48.687,915 96.489,916 116.065,917 33.449,919 306.049,920 115.689,921 155.459,924 306.049,925 45.603,926 101.279,927 34.612,928 89.653,929 306.049,930 115.689,931 155.459,933 0.581,934 0.365,935 0.208,936 0.112,937 31,938 13,939 0.059,940 4,941 2,942 1.133,943 4.584,944 374.049,945 0.133,946 30,947 178.117,951 22.731,952 9.388,953 3.967,954 2.247,955 113.912,956 17.238,957 9.272,961 6.042,962 1.804,963 18.011,964 577.196,965 55,970 13.852,974 -0.03,975 62.876,976 70.85,977 0.249,978 0.635,979 0.799,980 0.897,981 0.897,982 0.897,983 5.291,984 1.787,985 6.188,986 6.249,987 4.779,988 5.325,989 2.598,990 7.062,991 4.716,992 6.508,993 1.582,994 7.783,995 5.152,996 4.369,997 5.156,998 0.57,999 8.082,1000 4.279,1001 7.832,1002 1.419,1003 9.48,1004 4.224,1005 6.428,1006 7.574,1007 3.672,1008 11.234,1009 6.303,1010 9.195,1011 1.288,1012 11.24,1013 3.852,1014 6.899,1015 8.294,1016 0.801,1017 13.092,1018 6.743,1019 10.594,1020 1.222,1021 13.039,1022 3.122,1023 8.389,1024 10.147,1025 4.996,1026 15.759,1027 8.201,1028 12.018,1029 1.088,1030 14.864,1031 2.941,1032 9.246,1033 11.265,1034 1.074,1035 17.943,1036 9.027,1037 13.46,1038 1,1039 16.709,1040 2.717,1041 10.524,1042 12.898,1043 6.389,1044 20.45,1045 10.275,1046 3.303,1047 1,1048 18.567,1049 2.275,1050 11.553,1051 14.206,1052 1.404,1053 22.768,1054 11.272,1055 3.166,1056 11.608,1057 20.436,1058 2.136,1059 12.752,1060 15.749,1061 7.801,1062 25.22,1063 12.443,1064 2.956,1065 11.036,1066 22.313,1067 4.535,1068 13.857,1069 17.148,1070 1.768,1071 27.596,1072 13.517,1073 2.641,1074 10.313,1075 24.196,1076 4.262,1077 15.031,1078 18.656,1079 9.219,1080 30.029,1081 14.662,1082 2.465,1083 8.566,1084 26.085,1085 3.713,1086 16.17,1087 20.101,1088 2.15,1089 32.431,1090 15.771,1091 2.299,1092 7.68,1093 27.978,1094 3.589,1095 17.337,1096 21.596,1097 10.638,1098 34.859,1099 16.91,1100 1.988,1101 6.876,1102 29.875,1103 3.136,1104 18.493,1105 23.064,1106 2.538,1107 37.275,1108 18.037,1109 18517,1110 29111,1111 28.145,1112 43.108,1113 63.734,1114 66.261,1115 64.642,1116 62.309,1117 62.27,1118 81.348,1119 9.455,1120 185.844,1121 60.324,1122 5.646,1123 6.057,1124 6.722,1125 5.342,1126 5.303,1127 7.535,1128 4.069,1129 19.342,1130 5.21,1131 14.039,1132 1.554,1133 1.616,1134 1.577,1135 1.52,1136 1.519,1137 1.984,1138 0.231,1139 4.533,1140 1.471,1141 4.146,1142 4.178,1143 4.11,1144 4.065,1145 7.428,1146 4.071,1147 4.029,1148 4.069,1149 3.996,1150 3.917,1151 6.82,1152 3.929,1153 3.825,1154 3.88,1155 3.769,1156 3.713,1157 4.978,1158 3.723,1159 3.769,1160 3.82,1161 3.675,1162 3.597,1163 4.931,1164 3.608,1165 3.631,1166 3.691,1167 3.535,1168 3.474,1169 4.58,1170 3.479,1171 3.344,1172 3.431,1173 3.189,1174 3.163,1175 4.489,1176 3.147,1177 3.211,1178 3.25,1179 3.145,1180 3.039,1181 4.359,1182 3.069,1183 3.117,1184 3.206,1185 3.005,1186 3.007,1187 3.999,1188 2.995,1189 0.113,1190 0.099,1191 0.169,1192 0.104,1193 0.081,1194 4.646,1195 0.111,1196 4.057,1197 0.05,1198 6.92,1199 0.283,1200 4.275,1201 0.078,1202 3.303,1203 4.535,1204 2.035,1205 11.608,1206 3.21,1207 2.05,1208 2.029,1209 2.115,1210 2.138,1211 1.324,1212 2.132,1213 1.922,1214 1.894,1215 2.015,1216 2.027,1217 1.213,1218 2.023,1219 1.722,1220 1.663,1221 1.938,1222 1.94,1223 1.158,1224 1.946,1225 1.693,1226 1.644,1227 1.874,1228 1.841,1229 1.052,1230 1.846,1231 1.505,1232 1.439,1233 1.752,1234 1.718,1235 1.021,1236 1.731,1237 1.437,1238 1.387,1239 1.578,1240 1.61,1241 0.825,1242 1.608,1243 1.275,1244 1.218,1245 1.513,1246 1.504,1247 0.683,1248 1.473,1249 1.187,1250 1.126,1251 1.438,1252 1.386,1253 0.536,1254 1.429,1255 4.419,1257 5.765,1258 3.045,1259 7.321,1260 5.416,1261 8.968,1262 7.535,1263 10.664,1265 2.033,1271 5.851,1272 3.4,1276 4.214,1278 9.103,1279 2.141,1280 41.133,1281 93.929,1282 239.291,1283 300.943,1284 337.814,1285 337.814,1286 337.814,1287 56.289,1288 9.09,1289 90.08,1290 90.08,1291 34,1292 13.108,1293 4.644,1294 3.907,1295 49.004,1296 163,1297 198,1298 0.146,1299 248.496,1300 426.67,1301 598.09,1302 132285,1304 24.648,1305 0.685,1306 0.562,1307 24.648,1308 20.237,1309 17.673,1310 0.431,1311 0.303,1312 12.29,1313 17.073,1314 12.04,1315 9.91,1316 17.673,1317 12.443,1318 15.579,1319 0.264,1320 0.156,1321 15.579,1322 9.209,1323 14.529,1324 0.169,1325 0.083,1326 14.529,1327 7.175,1328 12.717,1329 0.107,1330 0.045,1331 12.717,1332 5.323,1333 10.378,1334 0.067,1335 0.024,1336 10.378,1337 3.682,1338 0.228,1339 110.029,1340 0.188,1341 32.693,1342 0.401,1343 200,1344 523.939,1345 215.703,1346 518.218,1347 730.27,1348 488,1349 245,1350 560.493,1351 263.312,1352 567.827,1353 841.4,1354 538,1355 8.6} {0 CHEMBL372731,1 1.788,2 11.824,3 5.916,4 34.994,5 125.304,6 8.164,7 0.324,8 4.221,9 4.332,10 3.853,11 3.698,12 5.329,13 3.702,14 4.831,15 5.01,16 4.334,17 4.112,18 6.286,19 4.11,20 5.045,21 5.228,22 4.451,23 4.33,24 6.154,25 4.296,26 5.238,27 5.438,28 4.527,29 4.378,30 6.479,31 4.327,32 5.269,33 5.513,34 4.337,35 4.288,36 6.423,37 4.22,38 5.082,39 5.302,40 4.246,41 4.264,42 6.113,43 4.196,44 5.15,45 5.361,46 4.322,47 4.321,48 6.429,49 4.224,50 5.15,51 5.394,52 4.143,53 4.235,54 6.142,55 4.132,56 0.174,57 1.06,58 11.141,59 5.839,60 22.175,61 6.987,62 1.228,63 2.032,64 27.207,65 9.404,66 157.047,67 11.919,68 0.776,69 2.007,70 33.513,71 12.521,72 52.576,73 15.834,74 1.274,75 2.144,76 48.848,77 15.794,78 133.987,79 19.291,80 1.728,81 1.97,82 51.664,83 14.874,84 158.77,85 20.074,86 0.977,87 1.835,88 37.171,89 12.942,90 85.158,91 17.079,92 1.492,93 1.876,94 42.176,95 14.29,96 173.659,97 19.167,98 1.017,99 1.847,100 45.325,101 14.268,102 106.71,103 19.083,104 86,105 56,106 0.291,107 0.589,108 0.786,109 0.832,110 0.832,111 0.832,112 3.561,113 0.926,114 -4.78,115 -4.69,116 -4.41,119 39.3,120 2,121 1,124 2,125 3,127 2,131 1,140 5,141 2,142 5,157 1,169 5,171 3,172 8,178 5,181 2,182 9,189 5,192 1,193 11,199 2,202 1,203 10,211 2,214 3,215 5,222 5,225 3,226 3,233 12,237 2,244 8,248 2,249 8,256 1,259 2022,260 21.996,261 21.996,262 21.996,263 21.996,264 21.996,265 20.425,266 33.388,267 12.245,268 22.923,269 18.113,270 18.113,271 18.113,272 18.113,273 18.113,274 15.527,275 48.713,276 5.659,277 19.658,278 4.142,279 2.309,280 1.097,281 0.816,282 0.816,283 0.816,284 4.245,285 1,289 1,290 850,291 4.123,294 80.062,295 314.838,298 142.815,302 1.855,303 56.553,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 77.333,315 402,316 4.582,317 4.476,318 7.265,319 4.263,320 3.393,321 4.153,322 3.825,323 12.29,324 3.096,325 4.515,326 3.841,327 6.761,328 4.191,329 3.237,330 4.117,331 2.208,332 11.097,333 2.95,334 4.131,335 3.4,336 6.487,337 3.956,338 3.021,339 3.394,340 0.86,341 10.085,342 2.823,343 3.951,344 3.223,345 6.224,346 3.702,347 2.778,348 3.167,349 0.8,350 8.981,351 2.569,352 3.853,353 3.127,354 6.068,355 3.542,356 2.652,357 2.943,358 0.8,359 8.623,360 2.325,361 3.546,362 2.884,363 5.604,364 3.204,365 2.253,366 2.754,367 0.655,368 7.185,369 2.107,370 3.183,371 2.451,372 5.162,373 2.868,374 1.954,375 2.336,376 0.13,377 5.944,378 1.833,379 2.896,380 2.109,381 4.879,382 2.856,383 1.879,384 2.046,386 5.225,387 1.775,388 2.879,389 1.982,390 4.798,391 2.513,392 1.595,393 1.958,395 4.925,396 1.459,397 2.849,398 1.919,399 4.521,400 2.422,401 1.459,402 1.879,404 4.304,405 1.384,406 2.72,407 1.684,408 4.017,409 2.35,410 1.414,411 1.749,413 3.176,414 1.251,415 2.332,416 1.572,417 3.851,418 2.065,419 1.101,420 1.267,422 2.915,423 1.048,424 1.972,425 1.176,426 3.739,427 1.786,428 0.853,429 0.923,431 2.222,432 0.788,433 1.515,434 1.01,435 3.11,436 1.321,437 0.37,438 0.413,440 0.865,441 0.349,442 1.431,443 0.811,444 3.016,445 1.25,446 0.368,447 0.377,449 0.64,450 0.319,451 15.771,452 0.464,453 1.252,454 0.037,455 38.5,456 1.132,457 15.5,458 0.456,459 23,460 0.676,461 37.153,462 1.093,463 39.429,464 0.646,465 34.835,466 1.025,467 7.601,468 0.224,469 8.405,470 0.247,471 0.248,472 0.032,473 0.393,476 3,479 0.635,480 1.226,481 0.613,482 1.199,483 0.563,484 1.04,485 0.588,486 0.757,487 0.624,488 0.749,489 0.347,490 0.753,491 0.686,492 0.909,493 0.784,494 1.017,495 0.485,496 0.99,497 0.836,498 1.03,499 0.95,500 1.229,501 0.756,502 1.144,503 0.759,504 0.717,505 0.743,506 0.821,507 0.67,508 0.846,509 0.718,510 0.763,511 0.757,512 0.892,513 0.623,514 0.949,515 0.476,516 0.68,517 0.909,518 1.024,519 0.37,520 1.113,521 0.757,522 0.811,523 0.936,524 0.999,525 0.648,526 1.018,527 9,528 0.236,529 5.556,530 3.507,531 2.645,532 1.597,533 1.217,534 0.717,535 0.624,536 0.407,537 15270,538 49659,539 1.984,540 44.3,542 19,547 8,550 1.763,551 1.782,552 3.529,553 -0.7,559 109.089,560 1.788,561 3.622,562 4.834,563 5.115,564 5.115,565 5.115,566 2.938,567 4.712,568 5.061,569 3.721,570 2087.59,571 8.888,572 31198.6,577 361.775,578 1.714,579 4.969,580 0.243,581 0.008,582 0.099,583 0.057,584 0.046,585 0.031,586 0.024,587 0.014,588 0.015,589 0.011,590 0.548,591 0.33,592 0.88,593 0.898,594 180.606,595 -0.032,596 -0.205,597 0.037,598 -0.134,599 -0.064,600 -0.045,601 0.28,602 0.268,603 0.171,604 0.212,605 0.403,606 0.188,607 -0.011,608 -0.041,609 0.047,610 -0.034,611 0.04,612 -0.009,613 0.026,614 -0.141,615 0.03,616 -0.227,617 0.053,618 -0.149,619 0.101,620 0.018,621 0.142,622 0.094,623 0.075,624 0.136,625 -0.019,626 0.022,627 0.031,628 0.054,629 -0.021,630 0.042,631 0.244,632 0.085,633 -0.004,634 -0.046,635 0.256,636 -0.108,637 -0.049,638 -0.105,639 0.003,640 -0.042,641 -0.021,642 0.001,643 5.901,644 5.992,645 0.618,646 34.145,647 1.025,648 1.146,649 3.549,650 12.599,651 0.651,652 3.638,653 4.043,654 4.331,655 4.595,656 4.812,657 4.956,658 5.124,659 5.242,660 5.342,661 5.447,662 7.199,663 0.632,664 497.99,665 3.638,666 5.231,667 6.107,668 7.022,669 7.915,670 8.83,671 9.729,672 10.644,673 11.547,674 12.462,675 4.9,678 1,681 1,682 1,688 5,693 7,695 12,709 1,710 1,712 1,713 1,714 61,716 13,717 2,718 37,720 64,721 24,722 12,723 7,724 5,730 4,731 5,732 1,736 3,740 3,742 1,743 3,745 13,746 11,750 1,755 1,759 1,762 3,764 27,765 9,767 10,768 1,773 3,777 0.75,778 3,792 1,793 3,796 1,815 1,819 3,823 4,824 1,825 3,827 34,833 4,835 2,837 2,838 3,839 1,846 4,847 4.9,850 1,852 2,854 19.083,855 12.255,856 7.25,857 3.669,858 2.269,859 1.278,860 0.956,861 7.074,862 10.442,863 3.807,864 4.394,865 4.92,866 5.437,867 5.927,868 6.17,869 6.486,870 6.701,871 6.895,872 7.149,873 0.875,874 61,875 13.241,877 6.292,878 8.128,879 23.575,881 19.661,883 2.628,884 89.361,888 317.82,889 133.557,890 9.373,891 39.149,892 47.145,893 44.88,895 133.557,896 404.113,897 54.253,898 36.93,899 11.976,900 47.381,901 25.145,902 99.001,903 6.763,904 317.82,905 46.908,906 317.82,907 142.93,908 92.025,909 39.149,911 223.651,912 186.194,915 40.51,916 102.42,917 39.149,919 362.7,920 56.518,921 172.705,924 325.579,925 41.486,926 93.684,928 131.174,929 317.82,930 101.398,931 172.705,933 0.606,934 0.363,935 0.187,936 0.098,937 28,938 15,939 0.063,940 4,941 1,942 1.095,943 4.174,944 332.096,945 0.095,946 21,947 162.219,951 25.116,952 9.576,953 4.902,955 101.398,956 7.081,961 1.13,964 591.923,965 44,970 12.992,974 -0.781,975 62.52,976 69.899,977 0.302,978 0.611,979 0.815,980 0.862,981 0.862,982 0.862,983 5.124,984 1.879,985 6.168,986 5.944,987 4.727,988 5.081,989 3.509,990 7.072,991 4.571,992 6.354,993 1.595,994 7.803,995 5.225,996 4.635,997 5.085,998 4.019,999 8.263,1000 4.328,1001 7.694,1002 1.459,1003 9.541,1004 4.925,1005 6.463,1006 7.225,1007 5.564,1008 11.33,1009 6.145,1010 9.066,1011 1.414,1012 11.336,1013 4.304,1014 7.124,1015 7.975,1016 6.736,1017 13.276,1018 6.651,1019 10.467,1020 1.101,1021 13.168,1022 3.176,1023 8.512,1024 9.692,1025 8.102,1026 15.929,1027 8.012,1028 11.889,1029 0.853,1030 15.023,1031 2.915,1032 9.478,1033 10.772,1034 9.406,1035 18.175,1036 8.841,1037 13.327,1038 0.37,1039 16.897,1040 2.222,1041 10.722,1042 12.327,1043 10.748,1044 20.699,1045 10.034,1046 3.393,1047 0.368,1048 18.784,1049 0.865,1050 11.813,1051 13.569,1052 12.081,1053 23.073,1054 11.008,1055 3.237,1056 12.29,1057 20.683,1058 0.64,1059 13.011,1060 15.052,1061 13.421,1062 25.558,1063 12.138,1064 3.021,1065 11.097,1066 22.59,1067 4.153,1068 14.156,1069 16.376,1070 14.76,1071 27.989,1072 13.178,1073 2.778,1074 10.085,1075 24.506,1076 4.117,1077 15.343,1078 17.826,1079 16.101,1080 30.466,1081 14.285,1082 2.652,1083 8.981,1084 26.428,1085 3.394,1086 16.512,1087 19.193,1088 17.442,1089 32.925,1090 15.356,1091 2.253,1092 8.623,1093 28.356,1094 3.167,1095 17.699,1096 20.627,1097 18.783,1098 35.404,1099 16.457,1100 1.954,1101 7.185,1102 30.289,1103 2.943,1104 18.882,1105 22.017,1106 20.125,1107 37.879,1108 17.544,1109 14893,1110 27411,1111 23.293,1112 39.711,1113 57.453,1114 58.058,1115 60.217,1116 57.14,1117 56.935,1118 67.287,1119 18.556,1120 177.595,1121 52.354,1122 5.582,1123 6.476,1124 6.787,1125 5.366,1126 5.393,1127 7.153,1128 5.529,1129 20.012,1130 5.096,1131 23.45,1132 1.553,1133 1.569,1134 1.627,1135 1.544,1136 1.539,1137 1.819,1138 0.502,1139 4.8,1140 1.415,1141 4.058,1142 4.092,1143 4.063,1144 3.951,1145 8.513,1146 3.96,1147 3.928,1148 3.944,1149 3.98,1150 3.854,1151 7.999,1152 3.856,1153 3.842,1154 3.905,1155 3.74,1156 3.672,1157 7.999,1158 3.678,1159 3.517,1160 3.555,1161 3.465,1162 3.307,1163 7.433,1164 3.328,1165 3.367,1166 3.452,1167 3.387,1168 3.217,1169 4.943,1170 3.19,1171 3.342,1172 3.377,1173 3.275,1174 3.041,1175 4.848,1176 3.099,1177 3.225,1178 3.311,1179 3.151,1180 2.964,1181 4.448,1182 2.984,1183 3.188,1184 3.221,1185 3.124,1186 2.906,1187 4.413,1188 2.929,1189 0.124,1190 0.121,1191 0.196,1192 0.115,1193 0.092,1194 4.582,1195 0.112,1196 4.476,1197 0.103,1198 7.265,1199 0.332,1200 4.263,1201 0.084,1202 3.393,1203 4.153,1204 3.825,1205 12.29,1206 3.096,1207 1.925,1208 1.897,1209 2.055,1210 2.079,1211 1.36,1212 2.075,1213 1.883,1214 1.87,1215 1.948,1216 1.985,1217 1.171,1218 1.974,1219 1.768,1220 1.713,1221 1.925,1222 1.916,1223 1.078,1224 1.919,1225 1.501,1226 1.441,1227 1.733,1228 1.74,1229 0.988,1230 1.733,1231 1.405,1232 1.325,1233 1.727,1234 1.606,1235 0.97,1236 1.655,1237 1.231,1238 1.182,1239 1.569,1240 1.531,1241 0.651,1242 1.539,1243 1.174,1244 1.089,1245 1.544,1246 1.479,1247 0.579,1248 1.494,1249 1.106,1250 1.059,1251 1.435,1252 1.436,1253 0.557,1254 1.395,1255 4.317,1257 5.7,1258 2.398,1259 7.27,1260 4.727,1261 8.926,1262 6.843,1263 10.626,1265 8.032,1266 5.907,1267 39.544,1271 2.5,1273 10.975,1275 0.65,1276 5.983,1277 -4.651,1280 38.561,1281 109.089,1282 220.938,1283 294.881,1284 312.001,1285 312.001,1286 312.001,1287 88.454,1288 8.173,1289 45.25,1290 45.25,1291 23,1292 12.976,1293 3.807,1294 3,1295 56.796,1296 147,1297 130,1298 0.189,1299 235.22,1300 426.83,1301 565.698,1302 41486,1303 6.6,1304 24.784,1305 0.729,1306 0.594,1307 22.784,1308 20.204,1309 16.006,1310 0.433,1311 0.309,1312 10.821,1313 14.805,1314 10.467,1315 8.627,1316 15.084,1317 11.415,1318 15.749,1319 0.281,1320 0.164,1321 14.088,1322 9.184,1323 13.042,1324 0.174,1325 0.094,1326 12.857,1327 7.052,1328 10.72,1329 0.109,1330 0.049,1331 9.971,1332 4.834,1333 8.238,1334 0.068,1335 0.025,1336 7.895,1337 3.106,1338 0.295,1339 105.707,1340 0.207,1341 31.033,1342 0.525,1343 186,1344 744.679,1345 235.745,1346 653.484,1347 851.91,1348 606,1349 224,1350 584.12,1351 267.192,1352 578.122,1353 874.95,1354 539,1355 7.6} {0 CHEMBL372743,1 1.478,2 14.189,3 4.23,4 17.889,5 146.172,6 7.449,7 0.524,8 4.296,9 4.422,10 3.884,11 3.856,12 5.373,13 3.835,14 4.861,15 5.052,16 4.266,17 4.279,18 5.836,19 4.243,20 5.11,21 5.319,22 4.37,23 4.457,24 6.094,25 4.395,26 5.224,27 5.444,28 4.377,29 4.493,30 6.275,31 4.416,32 5.225,33 5.458,34 4.316,35 4.486,36 6.205,37 4.396,38 5.179,39 5.392,40 4.301,41 4.463,42 6.158,43 4.371,44 5.218,45 5.472,46 4.222,47 4.41,48 6.193,49 4.308,50 5.099,51 5.331,52 4.135,53 4.36,54 6.051,55 4.25,56 0.043,57 1.04,58 13.19,59 5.678,60 11.327,61 7.683,62 0.275,63 1.737,64 26.25,65 9.287,66 19.231,67 13.145,68 0.271,69 2.125,70 34.736,71 12.665,72 30.172,73 17.873,74 0.499,75 2.289,76 40.315,77 14.098,78 64.747,79 19.816,80 0.465,81 2.245,82 41.186,83 14.747,84 61.48,85 20.632,86 0.271,87 2.18,88 37.855,89 14.372,90 47.591,91 20.029,92 0.544,93 2.193,94 42.11,95 14.06,96 66.047,97 20.321,98 0.284,99 1.948,100 35.964,101 13.753,102 41.916,103 19.27,104 21,105 61,106 0.231,107 0.578,108 0.753,109 0.84,110 0.84,111 0.84,112 3.642,113 0.915,114 -4.61,115 -4.53,116 -4.27,119 43.9,120 1,121 2,124 1,125 5,140 7,141 5,142 2,143 2,145 1,150 1,156 2,164 1,169 11,171 2,172 14,178 12,181 1,182 14,189 9,192 4,193 15,199 9,202 3,203 9,211 8,214 1,215 15,222 8,225 3,226 13,233 7,236 1,237 7,244 9,248 4,249 6,256 12,259 2598,260 25.618,261 25.618,262 25.618,263 25.618,264 25.618,265 22.966,266 33.254,267 14.668,268 26.084,269 20.578,270 20.578,271 20.578,272 20.578,273 20.578,274 16.235,275 38.063,276 6.749,277 21.333,278 4.567,279 2.337,280 1.218,281 0.659,282 0.659,283 0.659,284 4.359,289 1,290 1171,291 3.391,294 164.537,295 382.569,298 121.379,299 141.417,302 2.096,303 29.289,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 78.5,315 525,316 4.646,317 4.057,318 6.92,319 4.275,320 3.303,321 4.535,322 2.035,323 11.608,324 3.21,325 4.549,326 3.783,327 6.744,328 4.137,329 3.167,330 4.262,331 1.2,332 11.037,333 3.078,334 4.232,335 3.319,336 6.553,337 3.909,338 2.96,339 3.713,340 0.8,341 10.315,342 2.812,343 4.059,344 3.204,345 6.042,346 3.633,347 2.651,348 3.589,349 0.8,350 8.57,351 2.605,352 3.824,353 3.01,354 5.745,355 3.475,356 2.517,357 3.137,358 0.293,359 7.714,360 2.404,361 3.665,362 2.723,363 5.427,364 3.322,365 2.344,366 2.956,368 6.885,369 2.285,370 3.406,371 2.542,372 5.248,373 3.118,374 2.176,375 2.55,377 6.315,378 2.045,379 3.31,380 2.417,381 5.046,382 2.923,383 1.945,384 2.436,386 5.968,387 1.894,388 3.058,389 2.208,390 4.806,391 2.666,392 1.683,393 2.247,395 5.02,396 1.649,397 2.982,398 1.995,399 4.562,400 2.402,401 1.451,402 1.922,404 4.099,405 1.378,406 2.813,407 1.59,408 4.218,409 2.304,410 1.355,411 1.721,413 3.626,414 1.281,415 2.665,416 1.513,417 4.001,418 2.231,419 1.26,420 1.669,422 3.122,423 1.22,424 2.574,425 1.506,426 3.862,427 2.118,428 1.143,429 1.5,431 2.92,432 1.113,433 2.5,434 1.252,435 3.608,436 2,437 1,438 1.392,440 2.275,441 1,442 2.407,443 1.218,444 3.414,445 1.967,446 1,447 1.111,449 2.275,450 0.965,451 17.633,452 0.477,453 0.863,454 0.023,455 50.5,456 1.365,457 25.5,458 0.689,459 25,460 0.676,461 34.068,462 0.921,463 38.167,464 0.578,465 41.02,466 1.109,467 9.597,468 0.259,469 8.47,470 0.229,471 0.098,473 0.374,479 0.703,480 1.379,481 0.753,482 1.098,483 0.47,484 0.959,485 0.999,486 1.043,487 0.841,488 0.834,489 0.489,490 0.809,491 1.022,492 1.084,493 0.935,494 0.99,495 0.645,496 0.951,497 1.196,498 1.025,499 1.042,500 1.015,501 1.209,502 1.012,503 1.207,504 0.887,505 1.012,506 0.931,507 1.223,508 0.95,509 1.078,510 1.233,511 1.058,512 1.205,513 0.985,514 1.151,515 1.144,516 0.877,517 1.019,518 0.897,519 0.855,520 0.931,521 0.991,522 1.04,523 1.022,524 1.105,525 1.026,526 1.081,527 6.5,528 0.271,529 5.111,530 2.729,531 2.562,532 1.438,533 1.113,534 0.789,535 0.515,536 0.359,537 21674,538 51720,539 2.163,540 43.9,541 3,542 20,544 2,546 2,547 2,550 1.782,551 2.037,552 3.758,553 -0.778,559 97.516,560 1.478,561 3.708,562 4.827,563 5.385,564 5.385,565 5.385,566 3.231,567 4.939,568 5.177,569 3.885,570 2587.13,571 9.122,572 40874.1,577 398.93,578 1.371,579 5.147,580 0.155,581 0.007,582 0.084,583 0.041,584 0.04,585 0.024,586 0.019,587 0.015,588 0.01,589 0.008,590 0.402,591 0.17,592 0.75,593 0.715,594 202.313,595 0.076,596 -0.22,597 0.085,598 -0.09,599 0.053,600 -0.02,601 -0.011,602 0.076,603 0.083,604 0.126,605 0.035,606 0.121,607 -0.059,608 -0.032,609 0.009,610 -0.01,611 0.053,612 0.008,613 0.005,614 -0.003,615 -0.062,616 -0.045,617 -0.025,618 -0.058,619 -0.076,620 0.101,621 -0.025,622 0.056,623 -0.104,624 0.027,625 -0.048,626 -0.241,627 -0.101,628 -0.203,629 -0.045,630 -0.169,631 -0.016,632 0.105,633 -0.007,634 0.068,635 0.079,636 0.042,637 -0.033,638 -0.085,639 -0.051,640 -0.09,641 -0.016,642 -0.076,643 1.695,644 6.891,645 0.811,646 43.002,647 0.996,648 1.125,649 3.383,650 11.446,651 0.68,652 3.761,653 4.127,654 4.489,655 4.804,656 5.069,657 5.242,658 5.46,659 5.656,660 5.805,661 5.956,662 7.813,663 0.646,664 491.65,665 3.761,666 5.333,667 6.225,668 7.132,669 8.039,670 8.954,671 9.868,672 10.786,673 11.705,674 12.626,675 10.6,678 1,681 1,682 1,683 1,684 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,697 1,703 1,709 1,714 66,716 24,717 2,718 42,720 71,721 29,722 18,723 6,724 6,725 1,730 6,731 9,736 1,740 1,743 2,744 1,745 19,746 9,750 1,755 1,759 1,764 29,765 7,767 8,773 7,777 0.667,778 1,784 1,786 1,792 2,793 4,796 1,797 1,815 1,819 4,823 2,827 37,833 7,838 3,840 1,843 1,845 1,847 1.5,850 1,854 18.167,855 12.817,856 8.111,857 4.307,858 4.49,859 1.489,860 1.026,861 6.16,862 13.674,863 4.043,864 4.656,865 5.326,866 5.945,867 6.502,868 6.922,869 7.395,870 7.817,871 8.219,872 8.521,873 0.9,874 66,875 13.715,877 5.955,878 7.626,879 26.641,881 22.658,883 2.126,884 78.667,888 341.362,889 163.855,890 75.657,892 25.145,895 163.855,896 366.507,897 75.657,898 17.222,899 18.722,900 66.334,901 103.442,902 77.396,903 5.085,904 317.82,906 341.362,907 239.512,908 25.145,911 317.82,912 48.687,915 81.602,916 124.462,917 33.449,919 341.362,920 100.802,921 163.855,924 341.362,925 45.603,926 112.8,927 16.602,928 89.653,929 341.362,930 100.802,931 163.855,933 0.586,934 0.365,935 0.203,936 0.111,937 32,938 14,939 0.056,940 4,941 2,942 1.133,943 4.641,944 387.455,945 0.133,946 30,947 184.75,951 23.67,952 9.63,953 4.168,954 2.259,955 99.026,956 17.286,957 9.314,961 6.065,962 1.807,964 606.019,965 56,970 13.891,974 -0.028,975 65.76,976 74.265,977 0.244,978 0.613,979 0.799,980 0.891,981 0.891,982 0.891,983 5.316,984 1.945,985 6.225,986 6.315,987 4.812,988 5.345,989 2.645,990 7.098,991 4.745,992 6.536,993 1.683,994 7.821,995 5.968,996 4.443,997 5.19,998 0.766,999 8.115,1000 4.338,1001 7.86,1002 1.451,1003 9.518,1004 5.02,1005 6.466,1006 7.586,1007 3.682,1008 11.255,1009 6.332,1010 9.222,1011 1.355,1012 11.274,1013 4.099,1014 6.948,1015 8.306,1016 0.931,1017 13.104,1018 6.779,1019 10.619,1020 1.26,1021 13.069,1022 3.626,1023 8.422,1024 10.153,1025 4.998,1026 15.768,1027 8.224,1028 12.039,1029 1.143,1030 14.889,1031 3.122,1032 9.279,1033 11.27,1034 1.142,1035 17.947,1036 9.049,1037 13.478,1038 1,1039 16.729,1040 2.92,1041 10.549,1042 12.9,1043 6.389,1044 20.454,1045 10.291,1046 3.303,1047 1,1048 18.584,1049 2.275,1050 11.576,1051 14.207,1052 1.436,1053 22.77,1054 11.286,1055 3.167,1056 11.608,1057 20.449,1058 2.275,1059 12.771,1060 15.75,1061 7.801,1062 25.222,1063 12.453,1064 2.96,1065 11.037,1066 22.323,1067 4.535,1068 13.873,1069 17.149,1070 1.783,1071 27.597,1072 13.526,1073 2.651,1074 10.315,1075 24.205,1076 4.262,1077 15.045,1078 18.656,1079 9.219,1080 30.03,1081 14.669,1082 2.517,1083 8.57,1084 26.092,1085 3.713,1086 16.182,1087 20.101,1088 2.156,1089 32.432,1090 15.777,1091 2.344,1092 7.714,1093 27.984,1094 3.589,1095 17.348,1096 21.596,1097 10.638,1098 34.86,1099 16.915,1100 2.176,1101 6.885,1102 29.88,1103 3.137,1104 18.502,1105 23.064,1106 2.541,1107 37.275,1108 18.041,1109 19986,1110 31063,1111 28.55,1112 44.87,1113 65.574,1114 67.813,1115 66.885,1116 63.932,1117 63.849,1118 82.92,1119 10.255,1120 192.025,1121 61.728,1122 5.646,1123 6.057,1124 6.471,1125 5.342,1126 5.303,1127 7.535,1128 4.069,1129 19.342,1130 5.21,1131 16.762,1132 1.561,1133 1.615,1134 1.593,1135 1.522,1136 1.52,1137 1.974,1138 0.244,1139 4.572,1140 1.47,1141 4.146,1142 4.179,1143 4.111,1144 4.065,1145 7.428,1146 4.072,1147 4.029,1148 4.069,1149 3.996,1150 3.917,1151 6.82,1152 3.929,1153 3.834,1154 3.897,1155 3.771,1156 3.713,1157 4.978,1158 3.723,1159 3.783,1160 3.826,1161 3.694,1162 3.617,1163 4.931,1164 3.628,1165 3.643,1166 3.702,1167 3.556,1168 3.491,1169 4.58,1170 3.497,1171 3.344,1172 3.431,1173 3.194,1174 3.163,1175 4.486,1176 3.147,1177 3.231,1178 3.315,1179 3.146,1180 3.041,1181 4.347,1182 3.071,1183 3.189,1184 3.24,1185 3.059,1186 3.021,1187 3.999,1188 3.016,1189 0.111,1190 0.097,1191 0.165,1192 0.102,1193 0.079,1194 4.646,1195 0.108,1196 4.057,1197 0.048,1198 6.92,1199 0.276,1200 4.275,1201 0.076,1202 3.303,1203 4.535,1204 2.035,1205 11.608,1206 3.21,1207 2.05,1208 2.029,1209 2.116,1210 2.139,1211 1.335,1212 2.134,1213 1.922,1214 1.894,1215 2.015,1216 2.027,1217 1.238,1218 2.023,1219 1.748,1220 1.677,1221 1.959,1222 1.962,1223 1.158,1224 1.967,1225 1.693,1226 1.658,1227 1.874,1228 1.841,1229 1.053,1230 1.846,1231 1.507,1232 1.442,1233 1.753,1234 1.718,1235 1.022,1236 1.732,1237 1.441,1238 1.391,1239 1.587,1240 1.62,1241 0.825,1242 1.617,1243 1.276,1244 1.218,1245 1.536,1246 1.508,1247 0.695,1248 1.494,1249 1.187,1250 1.126,1251 1.513,1252 1.452,1253 0.636,1254 1.466,1255 4.443,1257 5.796,1258 3.045,1259 7.353,1260 5.416,1261 9,1262 7.535,1263 10.695,1265 4.186,1271 6.041,1276 6.588,1278 9.115,1279 2.143,1280 42.659,1281 97.516,1282 244.701,1283 318.549,1284 355.42,1285 355.42,1286 355.42,1287 58.725,1288 9.184,1289 81.29,1290 81.29,1291 34,1292 13.134,1293 4.644,1294 3.907,1295 51.023,1296 172,1297 208,1298 0.144,1299 258.088,1300 443.97,1301 621.495,1302 148166,1304 25.518,1305 0.69,1306 0.573,1307 25.518,1308 21.185,1309 18.067,1310 0.43,1311 0.305,1312 12.651,1313 17.432,1314 12.327,1315 10.171,1316 18.067,1317 12.815,1318 16.201,1319 0.266,1320 0.16,1321 16.201,1322 9.763,1323 14.939,1324 0.17,1325 0.086,1326 14.939,1327 7.561,1328 12.869,1329 0.106,1330 0.045,1331 12.869,1332 5.465,1333 10.607,1334 0.067,1335 0.024,1336 10.607,1337 3.868,1338 0.226,1339 112.589,1340 0.187,1341 33.469,1342 0.394,1343 206,1344 535.251,1345 222.063,1346 529.354,1347 744.47,1348 498,1349 252,1350 570.127,1351 271.145,1352 579.628,1353 857.01,1354 547,1355 9.2} {0 CHEMBL374973,1 1.35,2 25.143,3 8.026,4 64.417,5 201.542,6 6.234,7 0.37,8 4.728,9 4.875,10 4.142,11 4.251,12 5.629,13 4.191,14 5.339,15 5.551,16 4.48,17 4.696,18 6.165,19 4.594,20 5.664,21 5.922,22 4.507,23 4.875,24 6.427,25 4.725,26 5.747,27 6.029,28 4.463,29 4.881,30 6.491,31 4.706,32 5.699,33 5.985,34 4.422,35 4.797,36 6.471,37 4.63,38 5.603,39 5.877,40 4.378,41 4.731,42 6.397,43 4.577,44 5.56,45 5.833,46 4.34,47 4.683,48 6.386,49 4.527,50 5.539,51 5.815,52 4.203,53 4.626,54 6.35,55 4.457,56 0.129,57 1.567,58 26.353,59 10.297,60 14.694,61 15.203,62 0.421,63 2.597,64 48.393,65 17.832,66 35.406,67 26.821,68 0.506,69 3.226,70 66.083,71 24.436,72 56.332,73 36.432,74 0.516,75 3.331,76 71.18,77 26.363,78 66.766,79 39.384,80 0.611,81 3.125,82 68.327,83 24.327,84 73.274,85 36.434,86 0.598,87 2.927,88 62.57,89 21.534,90 61.904,91 32.621,92 0.586,93 2.781,94 59.894,95 20.825,96 68.137,97 31.521,98 0.634,99 2.657,100 58.942,101 20.013,102 66.288,103 30.067,104 17,105 73,106 0.194,107 0.454,108 0.616,109 0.687,110 0.709,111 0.726,112 3.914,113 1.062,114 -5.17,115 -5.06,116 -4.74,119 38.3,121 15,122 2,124 2,125 4,140 6,141 4,142 2,149 2,150 2,156 2,169 22,172 6,174 2,176 12,178 23,182 4,186 12,189 20,193 8,197 8,199 19,203 8,207 2,208 4,211 20,215 6,218 2,220 6,222 19,226 6,229 2,231 4,233 16,237 8,240 2,242 4,244 19,249 2,254 4,256 18,259 6408,260 33.567,261 33.567,262 33.567,263 33.567,264 33.567,265 31.048,266 38.838,267 20.355,268 33.966,269 26.733,270 26.733,271 26.733,272 26.733,273 26.733,274 22.706,275 49.09,276 9.839,277 27.325,278 5.392,279 3.586,280 2.457,281 1.967,282 1.808,283 1.692,284 4.626,289 1,290 2724,291 5,294 305.889,295 719.3,298 538.93,302 3.603,303 33.048,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 103,315 1232,316 4.586,317 3.592,318 6.719,319 4.161,320 3.173,321 4.52,322 1.907,323 10.946,324 3.137,325 4.586,326 3.592,327 6.719,328 4.161,329 3.173,330 4.52,331 1.907,332 10.946,333 3.137,334 3.881,335 3.295,336 5.783,337 3.622,338 2.643,339 3.237,340 0.8,341 7.948,342 2.586,343 3.881,344 3.295,345 5.783,346 3.622,347 2.643,348 3.237,349 0.8,350 7.948,351 2.586,352 3.673,353 2.782,354 5.417,355 3.444,356 2.47,357 2.894,358 0.149,359 7.111,360 2.409,361 3.673,362 2.782,363 5.417,364 3.444,365 2.47,366 2.894,367 0.149,368 7.111,369 2.409,370 3.407,371 2.534,372 5.035,373 3.146,374 2.186,375 2.62,377 6.012,378 2.094,379 3.407,380 2.534,381 5.035,382 3.144,383 2.185,384 2.619,386 6.012,387 2.09,388 3.287,389 2.236,390 4.792,391 2.993,392 2.011,393 2.39,395 5.412,396 1.959,397 3.287,398 2.236,399 4.792,400 2.978,401 1.996,402 2.39,404 5.411,405 1.942,406 2.914,407 1.931,408 4.543,409 2.875,410 1.873,411 1.954,413 4.353,414 1.872,415 2.849,416 1.738,417 4.543,418 2.634,419 1.629,420 1.953,422 4.353,423 1.634,424 2.848,425 1.522,426 3.966,427 2.486,428 1.502,429 1.913,431 3.822,432 1.476,433 2.683,434 1.522,435 3.964,436 2.486,437 1.502,438 1.679,440 3.346,441 1.476,442 2.552,443 1.455,444 3.914,445 2.294,446 1.292,447 1.568,449 3.043,450 1.292,451 23.567,452 0.481,453 1.006,454 0.021,455 51,456 1.041,457 20,458 0.408,459 31,460 0.633,461 60.165,462 1.228,463 55.633,464 0.52,465 38.906,466 0.794,467 8.643,468 0.176,469 15.28,470 0.312,471 0.071,473 0.289,479 0.836,480 1.419,481 0.986,482 1.199,483 0.559,484 1.115,485 0.833,486 1.19,487 1.039,488 1.106,489 0.5,490 1.086,491 0.998,492 1.062,493 1.047,494 1.059,495 0.939,496 1.058,497 0.836,498 1.034,499 0.959,500 1.038,501 0.834,502 1.015,503 1.023,504 0.978,505 0.932,506 0.966,507 1.172,508 0.948,509 1.171,510 1.004,511 1.038,512 1.001,513 1.188,514 1.004,515 1.044,516 1.083,517 1.012,518 1.058,519 1.134,520 1.036,521 1.452,522 0.961,523 1.152,524 1.021,525 1.647,526 1.055,527 8.5,528 0.23,529 4.667,530 2.639,531 2.081,532 1.202,533 0.991,534 0.741,535 0.44,536 0.263,537 68460,538 128074,539 2.122,540 54.2,541 20,542 20,543 2,545 4,546 4,547 8,550 1.835,551 2.028,552 4.541,553 1.232,559 144.405,560 1.35,561 3.155,562 4.285,563 4.775,564 4.933,565 5.05,566 3.951,567 4.472,568 5.594,569 4.775,570 5615.47,571 9.858,572 139790,577 721.337,578 1.229,579 5.564,580 0.157,581 0.006,582 0.064,583 0.037,584 0.031,585 0.019,586 0.016,587 0.013,588 0.009,589 0.006,590 0.357,592 0.63,593 0.41,594 310.979,595 -0.008,596 -0.106,597 0.059,598 -0.005,599 0.022,600 0.027,601 0.051,602 -0.009,603 -0.016,604 -0.017,605 0.097,606 -0.021,607 -0.076,608 -0.02,609 -0.052,610 -0.024,611 -0.032,612 -0.034,614 -0.054,615 0.014,616 -0.029,617 0.024,618 -0.008,619 0.022,620 -0.014,621 0.058,622 0.018,623 -0.014,624 0.036,625 -0.04,626 0.012,627 -0.028,628 -0.018,629 -0.056,630 -0.021,631 0.057,632 -0.078,633 -0.008,634 -0.066,635 0.026,636 -0.046,637 -0.122,638 0.033,639 -0.13,640 -0.053,641 -0.149,642 -0.086,643 1.554,644 5.663,645 0.612,646 83.975,647 0.984,648 1.133,649 3.939,650 15.517,651 0.633,652 4.007,653 4.304,654 4.554,655 4.82,656 5.043,657 5.147,658 5.293,659 5.421,660 5.434,661 5.455,662 14.498,663 0.582,664 667.05,665 4.007,666 5.541,667 6.378,668 7.244,669 8.102,670 8.978,671 9.849,672 10.733,673 11.613,674 12.502,675 5.6,678 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,714 107,716 22,717 2,718 54,720 112,721 41,722 16,723 6,724 6,730 6,731 8,740 4,741 2,743 15,745 18,746 23,747 2,750 2,755 2,759 2,764 58,765 6,766 4,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,805 2,815 2,819 4,823 2,827 49,833 19,834 2,837 2,838 2,847 1.9,850 2,854 24.167,855 19.067,856 10.833,857 7.314,858 3.859,859 1.417,860 0.985,861 13.028,862 13.106,863 4.205,864 4.741,865 5.29,866 5.897,867 6.395,868 6.769,869 7.189,870 7.57,871 7.566,872 7.754,873 1,874 72,875 18.314,877 7.733,878 7.456,879 36.762,881 31.374,883 1.956,884 95.833,888 635.64,889 168.914,890 75.841,892 50.29,895 168.914,896 685.929,897 75.841,898 16.793,899 82.462,900 74.952,901 59.699,902 56.85,903 27.83,904 612.097,906 635.64,907 244.755,908 50.29,911 541.471,912 144.459,915 122.282,916 122.473,919 635.64,920 126.131,921 168.914,924 635.64,925 77.169,926 97.994,927 69.593,928 50.29,929 635.64,930 126.131,931 168.914,933 0.572,934 0.321,935 0.172,936 0.096,937 32,938 14,939 0.143,940 16,941 2,942 1.133,943 6.178,944 476.001,945 0.133,946 30,947 219.121,951 35.851,952 17.807,953 10.066,954 4.793,955 92.56,956 16.85,958 6.864,961 4.586,963 69.593,964 930.685,965 66,970 25.326,974 0.226,975 105.239,976 121.204,977 0.2,978 0.468,979 0.636,980 0.708,981 0.732,982 0.749,983 5.447,984 2.185,985 6.337,986 6.012,987 4.99,988 5.429,989 2.709,990 7.107,991 4.95,992 6.607,993 2.011,994 7.864,995 6.012,996 4.443,997 5.215,998 2.262,999 7.928,1000 4.386,1001 7.891,1002 1.996,1003 9.491,1004 5.412,1005 6.538,1006 7.583,1007 3.595,1008 11.046,1009 6.461,1010 9.213,1011 1.873,1012 11.183,1013 5.411,1014 6.847,1015 8.303,1016 3.716,1017 12.778,1018 6.76,1019 10.574,1020 1.629,1021 12.918,1022 4.353,1023 8.37,1024 10.144,1025 4.727,1026 15.409,1027 8.266,1028 11.965,1029 1.502,1030 14.686,1031 4.353,1032 9.101,1033 11.302,1034 5.099,1035 17.528,1036 8.991,1037 13.379,1038 1.502,1039 16.479,1040 3.822,1041 10.387,1042 12.942,1043 5.942,1044 19.999,1045 10.263,1046 3.173,1047 1.292,1048 18.292,1049 3.346,1050 11.331,1051 14.299,1052 6.442,1053 22.279,1054 11.203,1055 3.173,1056 10.946,1057 20.121,1058 3.043,1059 12.522,1060 15.859,1061 7.194,1062 24.697,1063 12.381,1064 2.643,1065 10.946,1066 21.963,1067 4.52,1068 13.571,1069 17.304,1070 7.761,1071 27.043,1072 13.425,1073 2.643,1074 7.948,1075 23.816,1076 4.52,1077 14.726,1078 18.832,1079 8.464,1080 29.444,1081 14.57,1082 2.47,1083 7.948,1084 25.678,1085 3.237,1086 15.826,1087 20.313,1088 9.067,1089 31.817,1090 15.663,1091 2.47,1092 7.111,1093 27.547,1094 3.237,1095 16.972,1096 21.829,1097 9.744,1098 34.211,1099 16.798,1100 2.186,1101 7.111,1102 29.422,1103 2.894,1104 18.096,1105 23.326,1106 10.367,1107 36.596,1108 17.915,1109 62624,1110 85860,1111 36.868,1112 67.74,1113 79.566,1114 80.943,1115 81.104,1116 79.177,1117 79.176,1118 96.697,1119 11.424,1120 219.564,1121 77.555,1122 5.586,1123 5.592,1124 6.656,1125 5.197,1126 5.173,1127 7.52,1128 3.306,1129 18.076,1130 5.137,1131 21.316,1132 1.473,1133 1.499,1134 1.502,1135 1.466,1136 1.466,1137 1.791,1138 0.212,1139 4.066,1140 1.436,1141 4.173,1142 4.209,1143 4.125,1144 4.086,1145 7.431,1146 4.091,1147 4.124,1148 4.158,1149 4.084,1150 4.043,1151 7.427,1152 4.049,1153 3.833,1154 3.894,1155 3.697,1156 3.71,1157 4.981,1158 3.694,1159 3.815,1160 3.88,1161 3.693,1162 3.671,1163 4.949,1164 3.667,1165 3.81,1166 3.875,1167 3.686,1168 3.666,1169 4.384,1170 3.663,1171 3.728,1172 3.785,1173 3.604,1174 3.583,1175 4.379,1176 3.574,1177 3.623,1178 3.678,1179 3.511,1180 3.445,1181 4.321,1182 3.45,1183 3.503,1184 3.567,1185 3.383,1186 3.321,1187 4.295,1188 3.332,1189 0.085,1190 0.067,1191 0.124,1192 0.077,1193 0.059,1194 4.586,1195 0.084,1196 3.592,1197 0.035,1198 6.719,1199 0.203,1200 4.161,1201 0.058,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.137,1207 1.966,1208 1.94,1209 2.086,1210 2.064,1211 1.443,1212 2.073,1213 1.965,1214 1.94,1215 2.085,1216 2.064,1217 1.443,1218 2.072,1219 1.834,1220 1.778,1221 2.069,1222 2.002,1223 1.435,1224 2.02,1225 1.826,1226 1.771,1227 1.997,1228 1.997,1229 1.321,1230 2,1231 1.815,1232 1.758,1233 1.982,1234 1.969,1235 1.16,1236 1.987,1237 1.722,1238 1.665,1239 1.956,1240 1.888,1241 1.139,1242 1.913,1243 1.57,1244 1.514,1245 1.818,1246 1.769,1247 1.12,1248 1.782,1249 1.463,1250 1.395,1251 1.665,1252 1.693,1253 0.915,1254 1.687,1255 4.691,1257 5.994,1258 3.045,1259 7.476,1260 5.416,1261 9.047,1262 7.535,1263 10.673,1265 4.395,1271 20.533,1272 6.285,1275 1.17,1276 4.804,1280 62.255,1281 144.405,1282 337.638,1283 458.455,1284 510.915,1285 527.853,1286 540.317,1287 100.372,1288 9.248,1289 96.26,1290 96.26,1291 34,1292 13.034,1293 4.524,1294 3.7,1295 79.179,1296 448,1297 349,1298 0.081,1299 379.18,1300 657.28,1301 916.96,1302 247382,1304 34.003,1305 0.694,1306 0.611,1307 34.003,1308 29.919,1309 23.924,1310 0.443,1311 0.354,1312 18.946,1313 23.292,1314 18.495,1315 15.372,1316 23.924,1317 19.116,1318 21.169,1319 0.29,1320 0.205,1321 21.169,1322 14.942,1323 17.352,1324 0.185,1325 0.118,1326 17.352,1327 11.119,1328 14.348,1329 0.117,1330 0.065,1331 14.348,1332 8.01,1333 11.617,1334 0.075,1335 0.038,1336 11.617,1337 5.849,1338 0.141,1339 147.816,1340 0.165,1341 44.69,1342 0.194,1343 254,1344 554.093,1345 269.475,1346 546.329,1347 756.22,1348 514,1349 294,1350 559.245,1351 309.312,1352 572.592,1353 832.54,1354 540,1355 8.854} {0 CHEMBL380812,1 1.498,2 11.419,3 3.056,4 9.337,5 122.205,6 7.501,7 0.583,8 4.135,9 4.262,10 3.739,11 3.682,12 5.173,13 3.669,14 4.708,15 4.896,16 4.132,17 4.12,18 5.683,19 4.093,20 4.948,21 5.155,22 4.196,23 4.292,24 5.903,25 4.228,26 5.041,27 5.265,28 4.162,29 4.289,30 6.056,31 4.204,32 4.987,33 5.228,34 4.08,35 4.226,36 5.941,37 4.138,38 4.9,39 5.108,40 4.07,41 4.196,42 5.866,43 4.117,44 4.929,45 5.18,46 3.947,47 4.14,48 5.858,49 4.041,50 4.79,51 5.018,52 3.823,53 4.063,54 5.681,55 3.948,56 0.034,57 0.893,58 11.098,59 4.677,60 7.43,61 6.327,62 0.264,63 1.506,64 22.316,65 7.532,66 17.993,67 10.669,68 0.236,69 1.797,70 29.316,71 10.733,72 23.935,73 15.049,74 0.417,75 1.855,76 33.836,77 12.19,78 51.876,79 17.046,80 0.375,81 1.738,82 32.886,83 11.76,84 46.443,85 16.482,86 0.182,87 1.669,88 28.207,89 10.525,90 32.459,91 14.69,92 0.441,93 1.666,94 31.215,95 10.072,96 44.713,97 14.697,98 0.186,99 1.441,100 25.916,101 10.096,102 24.577,103 14.172,104 5,105 53,106 0.243,107 0.59,108 0.757,109 0.854,110 0.854,111 0.854,112 3.473,113 0.899,114 -4.23,115 -4.17,116 -3.94,119 43.6,121 1,124 1,125 5,140 6,141 4,142 1,143 2,145 1,149 1,150 1,156 1,164 1,169 8,171 2,172 12,178 9,181 1,182 9,189 7,192 4,193 10,199 6,202 3,203 8,211 2,215 13,222 4,225 2,226 9,233 6,236 1,237 3,244 6,248 4,249 5,256 4,259 1527,260 21.516,261 21.516,262 21.516,263 21.516,264 21.516,265 19.081,266 21.799,267 12.406,268 21.973,269 17.779,270 17.779,271 17.779,272 17.779,273 17.779,274 13.948,275 29.806,276 5.88,277 18.505,278 4.283,279 2.15,280 1.118,281 0.523,282 0.523,283 0.523,284 4.197,288 1,289 1,290 808,291 2.915,294 109.813,295 272.925,298 197.638,299 104.095,302 1.659,303 21.802,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 66,315 354,316 4.654,317 3.774,318 6.893,319 4.267,320 3.294,321 4.544,322 1.2,323 11.518,324 3.204,325 4.569,326 3.307,327 6.711,328 4.108,329 3.135,330 4.505,331 0.8,332 10.903,333 3.055,334 4.21,335 3.089,336 6.477,337 3.869,338 2.92,339 3.667,340 0.8,341 10.066,342 2.773,343 3.808,344 2.872,345 5.86,346 3.506,347 2.556,348 3.175,349 0.293,350 8.054,351 2.421,352 3.617,353 2.713,354 5.65,355 3.301,356 2.331,357 2.933,359 7.284,360 2.256,361 3.35,362 2.418,363 5.107,364 3.087,365 2.14,366 2.459,368 6.088,369 2.015,370 3.086,371 2.005,372 5.008,373 2.743,374 1.775,375 2.321,377 5.545,378 1.714,379 3.047,380 1.756,381 4.675,382 2.572,383 1.593,384 2.249,386 4.679,387 1.557,388 3.031,389 1.588,390 4.317,391 2.527,392 1.545,393 2.245,395 3.772,396 1.513,397 2.798,398 1.545,399 4.172,400 2.35,401 1.414,402 1.88,404 3.628,405 1.32,406 2.593,407 1.513,408 3.869,409 2.175,410 1.197,411 1.627,413 2.994,414 1.166,415 2.435,416 1.252,417 3.689,418 2.11,419 1.136,420 1.404,422 2.807,423 1.104,424 2.26,425 1.146,426 3.512,427 1.967,428 1,429 1.16,431 2.275,432 0.965,433 2,434 1.114,435 3.414,436 1.859,437 0.876,438 1,440 2.138,441 0.853,442 1.938,443 0.628,444 3.219,445 1.483,446 0.509,447 0.683,449 1.277,450 0.495,451 14.733,452 0.475,453 0.743,454 0.024,455 42.25,456 1.363,457 20.5,458 0.661,459 21.75,460 0.702,461 25.812,462 0.833,463 32.067,464 0.583,465 31.945,466 1.03,467 8.209,468 0.265,469 6.977,470 0.225,471 0.057,473 0.38,479 0.72,480 1.432,481 0.734,482 1.104,483 0.518,484 0.949,485 1.075,486 1.041,487 0.871,488 0.806,489 0.589,490 0.795,491 1.009,492 1.06,493 0.971,494 1.011,495 0.771,496 0.983,497 1.056,498 1.004,499 0.998,500 1.041,501 1.36,502 1.023,503 1.093,504 0.848,505 0.92,506 0.89,507 1.347,508 0.891,509 1.08,510 1.285,511 1.042,512 1.195,513 1.193,514 1.133,515 1.116,516 0.859,517 1.075,518 0.871,519 0.867,520 0.939,521 0.834,522 1.083,523 1.061,524 1.187,525 0.88,526 1.163,527 5,528 0.143,529 4.222,530 2.326,531 1.902,532 1.014,533 0.803,534 0.53,535 0.327,536 0.258,537 13496,538 30360,539 2.238,540 43.6,542 19,543 1,544 2,547 2,550 1.739,551 2.138,552 3.479,553 -0.767,555 1,559 82.387,560 1.498,561 3.631,562 4.663,563 5.259,564 5.259,565 5.259,566 2.916,567 4.696,568 4.926,569 3.593,570 1670.96,571 8.62,572 22748.7,574 1,577 317.975,578 1.26,579 4.905,580 0.139,581 0.005,582 0.08,583 0.042,584 0.037,585 0.021,586 0.017,587 0.013,588 0.009,589 0.009,590 0.372,591 0.5,592 0.88,593 0.415,594 158.652,595 0.077,596 -0.261,597 0.098,598 -0.107,599 0.026,600 -0.024,601 -0.052,602 0.103,603 0.048,604 0.133,605 0.029,606 0.113,607 -0.077,608 -0.011,609 -0.036,610 -0.03,611 0.034,612 -0.024,613 0.077,614 -0.022,615 -0.018,616 -0.055,617 0.032,618 -0.05,619 -0.003,620 0.112,621 0.075,622 0.102,623 -0.037,624 0.098,625 -0.085,626 -0.278,627 -0.096,628 -0.202,629 -0.083,630 -0.162,631 -0.072,632 0.149,633 -0.078,634 0.08,635 0.025,636 0.02,637 -0.013,638 -0.12,639 -0.11,640 -0.171,641 -0.003,642 -0.156,643 1.663,644 6.485,645 0.903,646 28.089,647 0.998,648 1.126,649 3,650 9.001,651 0.679,652 3.611,653 3.989,654 4.357,655 4.691,656 4.963,657 5.124,658 5.347,659 5.553,660 5.677,661 5.844,662 6.528,663 0.647,664 412.54,665 3.611,666 5.187,667 6.084,668 6.997,669 7.909,670 8.827,671 9.745,672 10.666,673 11.587,674 12.511,675 10.9,678 1,681 1,682 1,683 1,685 2,687 3,688 9,689 2,693 4,695 21,703 1,709 1,714 55,716 22,717 1,718 36,720 60,721 24,722 16,723 4,724 2,725 1,730 6,731 10,740 1,743 1,745 17,746 7,750 1,755 1,759 1,761 1,764 24,765 6,767 7,773 6,777 0.5,778 1,784 1,786 2,792 2,793 4,796 2,797 1,815 1,819 3,823 1,827 31,833 6,838 3,847 1.8,850 1,854 14.5,855 10.367,856 6.583,857 3.447,858 4.326,859 1.488,860 1.06,861 4.443,862 13.188,863 3.882,864 4.541,865 5.226,866 5.885,867 6.465,868 6.866,869 7.332,870 7.779,871 8.085,872 8.416,873 0.875,874 55,875 11.509,877 5.076,878 7.543,879 22.528,881 19.509,883 2.043,884 63.333,887 1,888 282.506,889 128.91,890 43.985,892 25.145,895 128.91,896 307.651,897 43.985,898 8.396,899 16.187,900 65.905,901 86.84,902 39.781,903 16.243,904 247.193,906 282.506,907 172.895,908 25.145,911 258.964,912 48.687,915 38.57,916 100.876,917 33.449,919 282.506,920 69.13,921 128.91,924 282.506,925 36.514,926 102.933,928 58.593,929 282.506,930 69.13,931 128.91,933 0.593,934 0.363,935 0.205,936 0.113,937 30,938 12,939 0.033,940 2,941 3,942 1.214,943 4.221,944 311.919,945 0.214,946 28,947 145.58,951 18.792,952 7.329,953 3.096,954 3.139,955 67.966,956 17.708,957 9.079,961 3.867,964 480.547,965 47.5,970 13.485,974 0.004,975 54.891,976 61.936,977 0.259,978 0.628,979 0.807,980 0.91,981 0.91,982 0.91,983 5.149,984 1.593,985 6.084,986 5.545,987 4.673,988 5.228,989 1.758,990 6.961,991 4.599,992 6.368,993 1.545,994 7.68,995 4.679,996 4.29,997 5.112,998 0.766,999 7.97,1000 4.176,1001 7.696,1002 1.414,1003 9.377,1004 3.772,1005 6.326,1006 7.517,1007 1.696,1008 11.127,1009 6.182,1010 9.065,1011 1.197,1012 11.136,1013 3.628,1014 6.804,1015 8.288,1016 0.931,1017 12.977,1018 6.626,1019 10.47,1020 1.136,1021 12.933,1022 2.994,1023 8.29,1024 10.153,1025 1.83,1026 15.645,1027 8.082,1028 11.901,1029 1,1030 14.757,1031 2.807,1032 9.149,1033 11.327,1034 1.142,1035 17.824,1036 8.914,1037 13.352,1038 0.876,1039 16.6,1040 2.275,1041 10.427,1042 12.979,1043 2.038,1044 20.329,1045 10.164,1046 3.294,1047 0.509,1048 18.457,1049 2.138,1050 11.457,1051 14.337,1052 1.436,1053 22.641,1054 11.168,1055 3.135,1056 11.518,1057 20.324,1058 1.277,1059 12.657,1060 15.902,1061 2.286,1062 25.089,1063 12.341,1064 2.92,1065 10.903,1066 22.2,1067 4.544,1068 13.762,1069 17.342,1070 1.783,1071 27.458,1072 13.42,1073 2.556,1074 10.066,1075 24.082,1076 4.505,1077 14.935,1078 18.872,1079 2.561,1080 29.885,1081 14.567,1082 2.331,1083 8.054,1084 25.97,1085 3.667,1086 16.073,1087 20.349,1088 2.156,1089 32.281,1090 15.68,1091 2.14,1092 7.284,1093 27.862,1094 3.175,1095 17.239,1096 21.865,1097 2.856,1098 34.703,1099 16.82,1100 1.775,1101 6.088,1102 29.757,1103 2.933,1104 18.393,1105 23.36,1106 2.541,1107 37.112,1108 17.949,1109 12166,1110 18433,1111 24.967,1112 37.341,1113 55.963,1114 56.62,1115 56.97,1116 55.528,1117 55.433,1118 72.521,1119 6.186,1120 167.538,1121 53.415,1122 5.654,1123 5.774,1124 6.575,1125 5.334,1126 5.294,1127 7.544,1128 2.293,1129 19.189,1130 5.204,1131 10.299,1132 1.555,1133 1.573,1134 1.582,1135 1.542,1136 1.54,1137 2.014,1138 0.172,1139 4.654,1140 1.484,1141 4.161,1142 4.199,1143 4.128,1144 4.068,1145 7.428,1146 4.076,1147 4.075,1148 4.115,1149 4.042,1150 3.949,1151 5.056,1152 3.968,1153 3.819,1154 3.891,1155 3.719,1156 3.628,1157 4.96,1158 3.641,1159 3.666,1160 3.722,1161 3.581,1162 3.509,1163 4.489,1164 3.517,1165 3.407,1166 3.444,1167 3.33,1168 3.296,1169 4.347,1170 3.298,1171 3.214,1172 3.31,1173 3.083,1174 3.023,1175 4.318,1176 3.018,1177 3.123,1178 3.206,1179 3.018,1180 2.955,1181 3.934,1182 2.96,1183 3.111,1184 3.186,1185 2.939,1186 2.941,1187 3.861,1188 2.91,1189 0.129,1190 0.105,1191 0.191,1192 0.119,1193 0.092,1194 4.654,1195 0.126,1196 3.774,1197 0.033,1198 6.893,1199 0.32,1200 4.267,1201 0.089,1202 3.294,1203 4.544,1204 1.2,1205 11.518,1206 3.204,1207 2.05,1208 2.029,1209 2.116,1210 2.139,1211 1.335,1212 2.134,1213 1.905,1214 1.869,1215 1.998,1216 2.054,1217 1.238,1218 2.037,1219 1.747,1220 1.675,1221 1.959,1222 1.961,1223 1.108,1224 1.967,1225 1.568,1226 1.523,1227 1.758,1228 1.782,1229 1.034,1230 1.766,1231 1.471,1232 1.423,1233 1.603,1234 1.632,1235 0.825,1236 1.636,1237 1.309,1238 1.254,1239 1.539,1240 1.503,1241 0.695,1242 1.506,1243 1.182,1244 1.086,1245 1.513,1246 1.446,1247 0.638,1248 1.469,1249 1.153,1250 1.064,1251 1.464,1252 1.376,1253 0.542,1254 1.429,1255 4.29,1257 5.652,1258 3.045,1259 7.217,1260 5.416,1261 8.874,1262 7.535,1263 10.578,1265 2.157,1271 5.536,1276 6.608,1280 35.584,1281 82.387,1282 199.723,1283 256.491,1284 289.22,1285 289.22,1286 289.22,1287 40.879,1288 8.862,1289 56.98,1290 56.98,1291 34,1292 13.017,1293 4.524,1294 3.644,1295 39.456,1296 121,1297 132,1298 0.159,1299 212.114,1300 354.39,1301 509.319,1302 99167,1304 20.949,1305 0.676,1306 0.565,1307 20.949,1308 17.53,1309 15.187,1310 0.422,1311 0.3,1312 10.624,1313 14.588,1314 10.396,1315 8.53,1316 15.187,1317 10.783,1318 13.984,1319 0.264,1320 0.159,1321 13.984,1322 8.422,1323 12.849,1324 0.167,1325 0.085,1326 12.849,1327 6.543,1328 11.302,1329 0.105,1330 0.044,1331 11.302,1332 4.772,1333 9.467,1334 0.067,1335 0.024,1336 9.467,1337 3.424,1338 0.246,1339 94.99,1340 0.2,1341 28.676,1342 0.449,1343 178,1344 453.606,1345 193.037,1346 444.075,1347 631.67,1348 420,1349 219,1350 490.366,1351 236.979,1352 496.391,1353 738.85,1354 469,1355 8.9} {0 CHEMBL381035,1 1.668,2 10.968,3 4.532,4 20.534,5 121.497,6 7.576,7 0.353,8 4.174,9 4.3,10 3.755,11 3.672,12 5.23,13 3.651,14 4.76,15 4.955,16 4.168,17 4.09,18 5.765,19 4.056,20 5.022,21 5.223,22 4.342,23 4.297,24 6.109,25 4.238,26 5.171,27 5.397,28 4.243,29 4.343,30 6.18,31 4.246,32 5.236,33 5.501,34 4.156,35 4.291,36 6.24,37 4.178,38 5.066,39 5.299,40 4.199,41 4.247,42 6.061,43 4.161,44 5.108,45 5.338,46 4.138,47 4.282,48 6.083,49 4.17,50 5.123,51 5.386,52 4.031,53 4.203,54 6.071,55 4.068,56 0.044,57 0.93,58 12.356,59 5.347,60 7.642,61 7.183,62 0.402,63 1.505,64 25.972,65 8.741,66 27.688,67 12.236,68 0.617,69 1.891,70 36.48,71 11.73,72 53.852,73 16.136,74 0.523,75 2.032,76 42.082,77 14.24,78 62.973,79 19.629,80 0.933,81 1.912,82 48.728,83 14.654,84 109.011,85 20.96,86 0.67,87 1.773,88 38.433,89 12.618,90 58.665,91 17.702,92 0.637,93 1.908,94 39.096,95 13.895,96 62.79,97 18.889,98 0.647,99 1.773,100 44.517,101 13.536,102 78.048,103 18.798,104 51,105 50,106 0.273,107 0.589,108 0.791,109 0.838,110 0.838,111 0.838,112 3.472,113 0.96,114 -4.37,115 -4.3,116 -4.06,119 39,120 2,121 1,124 2,125 3,127 2,140 5,141 1,142 6,157 1,169 4,171 1,172 7,174 2,176 1,178 4,181 2,182 6,186 1,189 3,192 1,193 7,197 5,199 2,202 1,203 5,208 1,211 2,214 2,215 7,218 1,222 5,225 2,226 3,229 1,233 6,237 2,244 9,248 1,249 4,252 1,254 2,256 2,259 1587,260 20.524,261 20.524,262 20.524,263 20.524,264 20.524,265 18.862,266 32.229,267 11.554,268 21.203,269 16.618,270 16.618,271 16.618,272 16.618,273 16.618,274 13.98,275 48.885,276 5.337,277 17.717,278 4.214,279 2.285,280 1.053,281 0.763,282 0.763,283 0.763,284 4.161,285 1,288 1,289 1,290 725,291 3.317,294 71.418,295 279.939,298 126.656,302 1.715,303 35.297,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 67.833,315 340,316 4.52,317 3.76,318 6.761,319 4.197,320 3.239,321 4.15,322 1.701,323 11.099,324 3.102,325 4.329,326 3.405,327 6.49,328 3.97,329 3.033,330 3.985,331 0.86,332 10.095,333 2.837,334 4.111,335 3.361,336 6.341,337 3.872,338 2.941,339 3.383,340 0.8,341 9.439,342 2.722,343 3.885,344 3.144,345 6.22,346 3.672,347 2.735,348 2.966,349 0.8,350 8.954,351 2.553,352 3.6,353 2.881,354 5.627,355 3.269,356 2.306,357 2.825,358 0.563,359 7.277,360 2.206,361 3.26,362 2.453,363 5.177,364 2.917,365 2.007,366 2.478,367 0.075,368 6.042,369 1.833,370 3.137,371 2.39,372 5.006,373 2.856,374 1.879,375 2.294,377 5.495,378 1.81,379 2.879,380 1.982,381 4.879,382 2.749,383 1.833,384 2.029,386 5.225,387 1.619,388 2.866,389 1.93,390 4.533,391 2.454,392 1.48,393 1.879,395 4.359,396 1.432,397 2.723,398 1.803,399 4.018,400 2.384,401 1.414,402 1.751,404 3.193,405 1.358,406 2.337,407 1.572,408 3.848,409 2.088,410 1.125,411 1.276,413 2.952,414 1.07,415 1.972,416 1.177,417 3.739,418 1.789,419 0.855,420 0.924,422 2.224,423 0.792,424 1.548,425 1.17,426 3.076,427 1.326,428 0.403,429 0.445,431 0.899,432 0.355,433 1.484,434 0.812,435 2.919,436 1.263,437 0.368,438 0.378,440 0.728,441 0.331,442 1.399,443 0.559,444 2.742,445 1.115,446 0.251,447 0.29,449 0.488,450 0.197,451 14.767,452 0.476,453 0.963,454 0.031,455 36.5,456 1.177,457 15.5,458 0.5,459 21,460 0.677,461 32.358,462 1.044,463 35.033,464 0.594,465 29.351,466 0.947,467 7.097,468 0.229,469 7.698,470 0.248,471 0.226,473 0.42,477 1,479 0.695,480 1.414,481 0.671,482 1.162,483 0.538,484 1.034,485 0.844,486 1.011,487 0.693,488 0.792,489 0.531,490 0.786,491 0.858,492 1.053,493 0.887,494 1.018,495 0.699,496 1.002,497 0.946,498 1.15,499 0.906,500 1.162,501 0.975,502 1.142,503 0.89,504 0.773,505 0.796,506 0.83,507 0.795,508 0.856,509 0.761,510 0.875,511 0.721,512 0.933,513 0.664,514 0.934,515 0.903,516 1.075,517 0.85,518 1.056,519 0.824,520 1.096,521 1.094,522 0.967,523 1.007,524 0.95,525 1.096,526 0.991,527 7,528 0.186,529 4.889,530 2.757,531 2.347,532 1.354,533 1.053,534 0.623,535 0.514,536 0.273,537 11985,538 32676,539 2.027,540 47.5,542 19,545 1,547 8,550 1.74,551 1.842,552 3.432,553 -0.329,559 98.428,560 1.668,561 3.597,562 4.829,563 5.12,564 5.12,565 5.12,566 2.882,567 4.632,568 4.927,569 3.601,570 1674.25,571 8.625,572 23287.8,574 1,577 347.076,578 1.541,579 4.855,580 0.206,581 0.008,582 0.098,583 0.05,584 0.048,585 0.029,586 0.022,587 0.014,588 0.014,589 0.01,590 0.499,591 0.5,592 1,593 0.804,594 159.366,595 -0.027,596 -0.26,597 0.042,598 -0.112,599 -0.027,600 -0.031,601 0.004,602 0.042,603 0.114,604 0.164,605 0.061,606 0.167,607 0.048,608 0.025,609 0.001,610 -0.044,611 0.103,612 -0.042,613 -0.051,614 -0.147,615 -0.072,616 -0.19,617 -0.04,618 -0.164,619 0.055,620 0.062,621 0.075,622 0.098,623 0.096,624 0.111,625 0.086,626 0.024,627 0.083,628 0.019,629 0.068,630 0.04,631 0.011,632 -0.087,633 -0.046,634 -0.079,635 0.009,636 -0.11,637 -0.125,638 -0.043,639 -0.037,640 0.01,641 -0.086,642 -0.014,643 2.298,644 6.263,645 0.677,646 29.89,647 1.007,648 1.137,649 3.141,650 9.864,651 0.655,652 3.555,653 3.932,654 4.248,655 4.5,656 4.736,657 4.89,658 5.03,659 5.176,660 5.268,661 5.366,662 6.657,663 0.62,664 447,665 3.555,666 5.13,667 6.009,668 6.909,669 7.803,670 8.708,671 9.608,672 10.516,673 11.419,674 12.328,675 6.8,678 1,681 1,682 2,688 5,693 7,695 12,709 1,712 1,713 2,714 59,716 13,717 2,718 34,720 62,721 23,722 12,723 7,724 5,730 4,731 5,732 1,735 1,736 2,740 3,743 3,745 13,746 10,750 1,755 1,759 1,761 1,762 1,764 28,765 7,766 1,767 8,768 1,773 4,777 0.75,778 2,792 1,793 3,796 1,815 1,819 3,823 4,824 1,825 1,827 31,833 4,834 1,835 1,837 2,838 3,846 2,847 3.4,850 1,852 1,854 16.833,855 11.802,856 6.75,857 3.577,858 2.209,859 1.278,860 0.966,861 6.447,862 10.163,863 3.738,864 4.317,865 4.852,866 5.355,867 5.852,868 6.089,869 6.354,870 6.636,871 6.818,872 7.087,873 1,874 55,875 11.558,877 5.001,878 7.794,879 22.072,881 18.445,883 2.294,884 71.111,887 1,888 317.82,889 126.759,890 27.384,891 39.149,892 36.145,893 14.96,895 126.759,896 393.113,897 42.344,898 36.93,899 29.987,900 47.381,901 25.145,902 46.569,903 19.236,904 317.82,905 39.149,906 317.82,907 154.143,908 51.105,909 39.149,911 238.611,912 130.314,915 50.761,916 103.382,917 39.149,919 332.78,920 63.529,921 165.908,924 317.82,925 42.448,926 93.684,927 18.011,928 90.254,929 317.82,930 78.489,931 165.908,933 0.598,934 0.369,935 0.188,936 0.1,937 25,938 13,939 0.048,940 3,941 1,942 1.095,943 4.017,944 292.003,945 0.095,946 21,947 147.58,951 22.341,952 8.946,953 4.267,955 78.489,956 8.611,961 3.069,963 18.011,964 562.216,965 41,970 12.984,974 -0.379,975 59.385,976 67.093,977 0.284,978 0.612,979 0.821,980 0.87,981 0.87,982 0.87,983 5.03,984 1.833,985 6.033,986 5.495,987 4.615,988 5.004,989 2.286,990 6.901,991 4.493,992 6.237,993 1.48,994 7.641,995 5.225,996 4.369,997 4.924,998 1.494,999 7.897,1000 4.164,1001 7.558,1002 1.414,1003 9.344,1004 4.359,1005 6.279,1006 7.134,1007 2.662,1008 11.011,1009 6.044,1010 8.91,1011 1.125,1012 11.1,1013 3.193,1014 6.815,1015 7.828,1016 2.523,1017 12.781,1018 6.494,1019 10.292,1020 0.855,1021 12.887,1022 2.952,1023 8.231,1024 9.58,1025 3.432,1026 15.423,1027 7.884,1028 11.694,1029 0.403,1030 14.697,1031 2.224,1032 9.104,1033 10.623,1034 3.619,1035 17.518,1036 8.679,1037 13.112,1038 0.368,1039 16.521,1040 0.899,1041 10.341,1042 12.195,1043 4.37,1044 19.988,1045 9.884,1046 3.239,1047 0.251,1048 18.357,1049 0.728,1050 11.362,1051 13.409,1052 4.719,1053 22.23,1054 10.838,1055 3.033,1056 11.099,1057 20.201,1058 0.488,1059 12.533,1060 14.899,1061 5.375,1062 24.635,1063 11.971,1064 2.941,1065 10.095,1066 22.053,1067 4.15,1068 13.618,1069 16.202,1070 5.808,1071 26.946,1072 12.999,1073 2.735,1074 9.439,1075 23.91,1076 3.985,1077 14.767,1078 17.651,1079 6.41,1080 29.329,1081 14.107,1082 2.306,1083 8.954,1084 25.772,1085 3.383,1086 15.882,1087 19.001,1088 6.887,1089 31.674,1090 15.172,1091 2.007,1092 7.277,1093 27.638,1094 2.966,1095 17.025,1096 20.43,1097 7.458,1098 34.052,1099 16.273,1100 1.879,1101 6.042,1102 29.507,1103 2.825,1104 18.156,1105 21.807,1106 7.96,1107 36.416,1108 17.357,1109 11599,1110 19453,1111 21.907,1112 38.625,1113 51.927,1114 53.985,1115 54.963,1116 51.782,1117 51.737,1118 62.104,1119 9.6,1120 156.94,1121 48.435,1122 5.52,1123 5.76,1124 6.298,1125 5.264,1126 5.239,1127 7.15,1128 2.972,1129 18.302,1130 5.102,1131 19.371,1132 1.527,1133 1.588,1134 1.617,1135 1.523,1136 1.522,1137 1.827,1138 0.282,1139 4.616,1140 1.425,1141 4.059,1142 4.096,1143 4.045,1144 3.951,1145 8.201,1146 3.96,1147 3.908,1148 3.938,1149 3.976,1150 3.832,1151 7.429,1152 3.833,1153 3.841,1154 3.9,1155 3.741,1156 3.672,1157 4.877,1158 3.679,1159 3.519,1160 3.562,1161 3.493,1162 3.314,1163 4.843,1164 3.335,1165 3.367,1166 3.452,1167 3.322,1168 3.217,1169 4.445,1170 3.19,1171 3.273,1172 3.329,1173 3.151,1174 3.036,1175 4.403,1176 3.065,1177 3.223,1178 3.303,1179 3.118,1180 2.942,1181 4.344,1182 2.95,1183 3.089,1184 3.194,1185 3.034,1186 2.861,1187 3.97,1188 2.841,1189 0.133,1190 0.111,1191 0.199,1192 0.123,1193 0.095,1194 4.52,1195 0.122,1196 3.76,1197 0.05,1198 6.761,1199 0.326,1200 4.197,1201 0.091,1202 3.239,1203 4.15,1204 1.701,1205 11.099,1206 3.102,1207 1.926,1208 1.897,1209 2.055,1210 2.079,1211 1.36,1212 2.075,1213 1.871,1214 1.849,1215 1.945,1216 1.984,1217 1.171,1218 1.976,1219 1.768,1220 1.713,1221 1.924,1222 1.914,1223 1.048,1224 1.918,1225 1.51,1226 1.446,1227 1.733,1228 1.741,1229 0.985,1230 1.738,1231 1.405,1232 1.325,1233 1.73,1234 1.606,1235 0.97,1236 1.655,1237 1.245,1238 1.189,1239 1.57,1240 1.533,1241 0.652,1242 1.542,1243 1.176,1244 1.085,1245 1.545,1246 1.477,1247 0.579,1248 1.498,1249 1.099,1250 1.011,1251 1.439,1252 1.378,1253 0.557,1254 1.406,1255 4.234,1257 5.595,1258 2.398,1259 7.151,1260 4.727,1261 8.796,1262 6.843,1263 10.486,1265 8.243,1266 5.849,1267 14.263,1271 2.976,1272 2.657,1273 5.703,1275 0.791,1276 6.344,1280 36.574,1281 98.428,1282 212.239,1283 284.937,1284 302.056,1285 302.056,1286 302.056,1287 66.375,1288 7.954,1289 48.05,1290 48.05,1291 23,1292 12.845,1293 3.807,1294 3,1295 49.264,1296 123,1297 114,1298 0.196,1299 226.03,1300 399.6,1301 543.272,1302 31289,1303 3.4,1304 22.284,1305 0.719,1306 0.614,1307 21.913,1308 19.04,1309 14.795,1310 0.435,1311 0.32,1312 10.347,1313 13.826,1314 9.953,1315 8.25,1316 14.656,1317 10.879,1318 13.754,1319 0.275,1320 0.175,1321 13.773,1322 8.762,1323 12.337,1324 0.179,1325 0.097,1326 11.799,1327 6.706,1328 9.736,1329 0.109,1330 0.052,1331 9.802,1332 4.584,1333 7.67,1334 0.068,1335 0.027,1336 7.595,1337 3.025,1338 0.304,1339 96.646,1340 0.214,1341 28.717,1342 0.551,1343 168,1344 525.054,1345 202.24,1346 505.808,1347 675.77,1348 472,1349 203,1350 472.434,1351 236.269,1352 482.298,1353 711.98,1354 451,1355 6.7} {0 CHEMBL382078,1 1.461,2 14.41,3 4.719,4 22.271,5 153.382,6 7.396,7 0.489,8 4.36,9 4.485,10 3.947,11 3.932,12 5.401,13 3.909,14 4.948,15 5.132,16 4.347,17 4.377,18 5.892,19 4.335,20 5.23,21 5.452,22 4.433,23 4.548,24 6.158,25 4.475,26 5.305,27 5.526,28 4.439,29 4.572,30 6.318,31 4.49,32 5.312,33 5.551,34 4.367,35 4.561,36 6.257,37 4.462,38 5.257,39 5.48,40 4.372,41 4.532,42 6.21,43 4.441,44 5.275,45 5.521,46 4.314,47 4.505,48 6.242,49 4.406,50 5.199,51 5.429,52 4.228,53 4.471,54 6.121,55 4.356,56 0.051,57 1.1,58 14.219,59 6.17,60 11.629,61 8.353,62 0.264,63 1.89,64 28.481,65 10.46,66 20.294,67 14.751,68 0.329,69 2.362,70 40.148,71 14.428,72 35.004,73 20.561,74 0.531,75 2.485,76 43.925,77 15.405,78 65.915,79 21.717,80 0.487,81 2.437,82 45.339,83 16.375,84 63.345,85 23.036,86 0.32,87 2.347,88 41.677,89 15.554,90 52.138,91 21.846,92 0.55,93 2.357,94 44.008,95 15.095,96 67.207,97 21.649,98 0.289,99 2.158,100 39.586,101 15.496,102 43.07,103 21.699,104 14,105 66,106 0.225,107 0.575,108 0.769,109 0.876,110 0.876,111 0.876,112 3.693,113 0.93,114 -5,115 -4.9,116 -4.59,119 44.3,120 1,121 4,125 5,127 1,140 7,141 5,142 2,143 2,145 1,150 1,156 2,164 1,169 12,171 2,172 16,178 12,181 1,182 15,189 9,192 4,193 16,199 9,202 3,203 10,211 9,214 1,215 16,222 11,225 3,226 13,233 11,236 1,237 8,244 12,248 4,249 7,256 14,259 2961,260 27.273,261 27.273,262 27.273,263 27.273,264 27.273,265 24.621,266 36.417,267 15.578,268 27.723,269 22.083,270 22.083,271 22.083,272 22.083,273 22.083,274 17.74,275 43.367,276 7.173,277 22.842,278 4.669,279 2.399,280 1.138,281 0.439,282 0.439,283 0.439,284 4.42,289 1,290 1281,291 3.464,294 253.827,295 379.374,298 266.422,299 145.135,302 2.216,303 30.341,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 82.5,315 562,316 4.647,317 4.057,318 6.92,319 4.276,320 3.304,321 4.535,322 2.035,323 11.609,324 3.21,325 4.55,326 3.783,327 6.748,328 4.143,329 3.175,330 4.262,331 1.2,332 11.054,333 3.08,334 4.236,335 3.351,336 6.559,337 3.949,338 3.004,339 3.713,340 0.8,341 10.343,342 2.84,343 4.064,344 3.233,345 6.188,346 3.796,347 2.84,348 3.59,349 0.8,350 9.206,351 2.713,352 3.929,353 3.101,354 6.029,355 3.608,356 2.621,357 3.144,358 0.293,359 8.518,360 2.584,361 3.789,362 2.933,363 5.699,364 3.382,365 2.408,366 3,368 7.556,369 2.343,370 3.576,371 2.548,372 5.421,373 3.222,374 2.253,375 2.817,377 6.866,378 2.169,379 3.358,380 2.463,381 5.245,382 2.938,383 1.957,384 2.531,386 6.232,387 1.915,388 3.084,389 2.209,390 4.836,391 2.685,392 1.697,393 2.291,395 5.096,396 1.673,397 2.983,398 1.999,399 4.591,400 2.494,401 1.534,402 1.962,404 4.278,405 1.469,406 2.84,407 1.691,408 4.383,409 2.414,410 1.467,411 1.722,413 4.087,414 1.387,415 2.668,416 1.594,417 4.224,418 2.34,419 1.377,420 1.69,422 3.681,423 1.322,424 2.59,425 1.536,426 4.002,427 2.24,428 1.267,429 1.534,431 3.122,432 1.23,433 2.534,434 1.506,435 3.865,436 2.141,437 1.166,438 1.5,440 2.923,441 1.135,442 2.5,443 1.257,444 3.608,445 2.018,446 1.043,447 1.427,449 2.395,450 1.015,451 18.633,452 0.478,453 0.876,454 0.022,455 52,456 1.333,457 25.5,458 0.654,459 26.5,460 0.679,461 38.179,462 0.979,463 40.167,464 0.574,465 41.636,466 1.068,467 9.526,468 0.244,469 9.614,470 0.247,471 0.066,473 0.381,479 0.695,480 1.343,481 0.754,482 1.077,483 0.452,484 0.948,485 0.948,486 1.124,487 0.867,488 0.922,489 0.47,490 0.882,491 1.034,492 1.049,493 0.937,494 0.96,495 0.599,496 0.934,497 1.216,498 1.036,499 1.061,500 1.023,501 1.171,502 1.024,503 1.175,504 0.905,505 1.007,506 0.944,507 1.176,508 0.959,509 1.094,510 1.166,511 1.007,512 1.112,513 0.983,514 1.066,515 1.159,516 0.887,517 1.034,518 0.911,519 0.871,520 0.946,521 0.943,522 1.071,523 1.031,524 1.137,525 0.991,526 1.109,527 6.5,528 0.264,529 5.333,530 2.861,531 2.628,532 1.469,533 1.094,534 0.764,535 0.524,536 0.37,537 26164,538 58936,539 2.216,540 44.3,541 3,542 18,544 2,546 2,547 6,550 1.795,551 2.108,552 3.795,553 -0.789,559 102.238,560 1.461,561 3.731,562 4.992,563 5.69,564 5.69,565 5.69,566 3.267,567 5.029,568 5.254,569 3.938,570 2917.81,571 9.273,572 47905.8,577 429.05,578 1.296,579 5.233,580 0.144,581 0.006,582 0.081,583 0.041,584 0.039,585 0.023,586 0.017,587 0.013,588 0.01,589 0.008,590 0.381,591 0.17,592 0.75,593 0.64,594 216.768,595 0.08,596 -0.189,597 0.09,598 -0.068,599 0.071,600 -0.005,601 0.014,602 -0.009,603 0.053,604 0.045,605 0.044,606 0.054,607 -0.056,608 -0.009,609 0.025,610 0.015,611 0.075,612 0.031,613 -0.003,614 -0.009,615 -0.078,616 -0.057,617 -0.009,618 -0.072,619 -0.057,620 0.076,621 -0.014,622 0.042,623 -0.082,624 0.022,625 -0.039,626 -0.175,627 -0.035,628 -0.117,629 -0.038,630 -0.085,631 -0.029,632 0.114,633 -0.034,634 0.056,635 0.064,636 0.022,637 -0.02,638 -0.115,639 -0.065,640 -0.118,641 -0.017,642 -0.102,643 1.685,644 6.98,645 0.846,646 46.17,647 0.995,648 1.124,649 3.766,650 14.184,651 0.68,652 3.829,653 4.205,654 4.585,655 4.913,656 5.159,657 5.352,658 5.587,659 5.796,660 5.945,661 6.118,662 8.102,663 0.646,664 517.69,665 3.829,666 5.407,667 6.308,668 7.22,669 8.134,670 9.051,671 9.969,672 10.89,673 11.811,674 12.733,675 10,678 1,681 1,682 1,683 1,684 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,697 1,703 1,709 1,714 70,716 24,717 2,718 45,720 76,721 31,722 18,723 6,724 6,725 1,730 7,731 11,736 1,740 4,743 5,744 1,745 19,746 11,750 1,755 1,759 1,764 31,765 7,767 8,773 7,777 0.571,778 1,784 1,786 1,789 1,792 3,793 4,796 2,797 1,815 1,819 4,823 1,827 39,833 9,837 1,838 3,840 1,843 1,845 1,847 1.4,850 1,854 18.5,855 13.15,856 8.472,857 4.757,858 4.501,859 1.464,860 1.038,861 6.11,862 14.197,863 4.094,864 4.703,865 5.369,866 5.981,867 6.526,868 6.948,869 7.425,870 7.853,871 8.264,872 8.58,873 0.9,874 70,875 14.495,877 6.401,878 7.577,879 28.433,881 24.851,883 2.077,884 81,888 364.904,889 160.528,890 75.657,892 25.145,895 160.528,896 390.049,897 75.657,898 8.825,899 23.791,900 66.334,901 103.442,902 77.396,903 5.085,904 341.362,906 364.904,907 236.185,908 25.145,911 294.278,912 95.772,915 86.671,916 116.065,917 33.449,919 364.904,920 100.802,921 160.528,924 364.904,925 50.672,926 104.403,927 16.602,928 89.653,929 364.904,930 100.802,931 160.528,933 0.588,934 0.37,935 0.209,936 0.109,937 36,938 15,939 0.053,940 4,941 3,942 1.182,943 4.851,944 425.047,945 0.182,946 33,947 202.131,951 24.335,952 9.792,953 4.107,954 2.302,955 99.026,956 17.431,957 9.424,961 6.148,962 1.816,964 626.234,965 59,970 13.98,974 -0.019,975 69.643,976 78.68,977 0.238,978 0.609,979 0.814,980 0.928,981 0.928,982 0.928,983 5.378,984 1.957,985 6.308,986 6.866,987 4.89,988 5.391,989 2.645,990 7.189,991 4.825,992 6.591,993 1.697,994 7.908,995 6.232,996 4.511,997 5.223,998 0.766,999 8.207,1000 4.406,1001 7.915,1002 1.534,1003 9.608,1004 5.096,1005 6.553,1006 7.615,1007 3.682,1008 11.352,1009 6.418,1010 9.276,1011 1.467,1012 11.366,1013 4.278,1014 7.04,1015 8.331,1016 0.931,1017 13.196,1018 6.864,1019 10.671,1020 1.377,1021 13.163,1022 4.087,1023 8.517,1024 10.17,1025 4.998,1026 15.854,1027 8.312,1028 12.09,1029 1.267,1030 14.984,1031 3.681,1032 9.38,1033 11.284,1034 1.142,1035 18.025,1036 9.136,1037 13.528,1038 1.166,1039 16.824,1040 3.122,1041 10.649,1042 12.91,1043 6.389,1044 20.524,1045 10.376,1046 3.304,1047 1.043,1048 18.677,1049 2.923,1050 11.677,1051 14.215,1052 1.436,1053 22.831,1054 11.368,1055 3.175,1056 11.609,1057 20.541,1058 2.395,1059 12.87,1060 15.755,1061 7.801,1062 25.276,1063 12.531,1064 3.004,1065 11.054,1066 22.412,1067 4.535,1068 13.971,1069 17.153,1070 1.783,1071 27.644,1072 13.599,1073 2.84,1074 10.343,1075 24.29,1076 4.262,1077 15.14,1078 18.659,1079 9.219,1080 30.072,1081 14.738,1082 2.621,1083 9.206,1084 26.173,1085 3.713,1086 16.274,1087 20.103,1088 2.156,1089 32.469,1090 15.841,1091 2.408,1092 8.518,1093 28.061,1094 3.59,1095 17.436,1096 21.597,1097 10.638,1098 34.893,1099 16.974,1100 2.253,1101 7.556,1102 29.953,1103 3.144,1104 18.587,1105 23.065,1106 2.541,1107 37.305,1108 18.096,1109 23551,1110 35556,1111 31.035,1112 47.631,1113 70.348,1114 72.821,1115 71.378,1116 69.01,1117 68.948,1118 88.026,1119 10.255,1120 208.942,1121 66.77,1122 5.647,1123 6.057,1124 6.471,1125 5.344,1126 5.304,1127 7.535,1128 4.069,1129 19.344,1130 5.21,1131 14.86,1132 1.563,1133 1.618,1134 1.586,1135 1.534,1136 1.532,1137 1.956,1138 0.228,1139 4.643,1140 1.484,1141 4.151,1142 4.185,1143 4.113,1144 4.068,1145 7.428,1146 4.074,1147 4.029,1148 4.07,1149 3.996,1150 3.917,1151 6.82,1152 3.929,1153 3.923,1154 3.984,1155 3.821,1156 3.764,1157 4.978,1158 3.769,1159 3.804,1160 3.836,1161 3.753,1162 3.708,1163 4.931,1164 3.716,1165 3.669,1166 3.726,1167 3.596,1168 3.526,1169 4.58,1170 3.534,1171 3.424,1172 3.501,1173 3.277,1174 3.253,1175 4.488,1176 3.245,1177 3.342,1178 3.429,1179 3.177,1180 3.162,1181 4.391,1182 3.145,1183 3.209,1184 3.25,1185 3.141,1186 3.038,1187 3.999,1188 3.068,1189 0.103,1190 0.09,1191 0.154,1192 0.095,1193 0.073,1194 4.647,1195 0.101,1196 4.057,1197 0.045,1198 6.92,1199 0.258,1200 4.276,1201 0.071,1202 3.304,1203 4.535,1204 2.035,1205 11.609,1206 3.21,1207 2.05,1208 2.029,1209 2.115,1210 2.137,1211 1.358,1212 2.132,1213 1.922,1214 1.894,1215 2.015,1216 2.027,1217 1.265,1218 2.023,1219 1.746,1220 1.682,1221 1.938,1222 1.941,1223 1.19,1224 1.944,1225 1.693,1226 1.659,1227 1.874,1228 1.841,1229 1.158,1230 1.846,1231 1.577,1232 1.506,1233 1.85,1234 1.758,1235 1.054,1236 1.795,1237 1.507,1238 1.442,1239 1.752,1240 1.718,1241 1.022,1242 1.731,1243 1.44,1244 1.39,1245 1.579,1246 1.612,1247 0.808,1248 1.609,1249 1.275,1250 1.218,1251 1.478,1252 1.504,1253 0.687,1254 1.474,1255 4.511,1257 5.872,1258 3.434,1259 7.434,1260 5.778,1261 9.086,1262 7.861,1263 10.786,1265 2.043,1271 8.995,1275 0.614,1276 6.974,1278 9.14,1279 2.151,1280 45.186,1281 102.238,1282 261.152,1283 349.424,1284 398.295,1285 398.295,1286 398.295,1287 59.798,1288 9.696,1289 81.29,1290 81.29,1291 39,1292 13.241,1293 4.644,1294 3.907,1295 50.474,1296 189,1297 228,1298 0.129,1299 269.879,1300 466.21,1301 650.266,1302 279387,1304 26.509,1305 0.68,1306 0.569,1307 26.509,1308 22.176,1309 19.14,1310 0.425,1311 0.31,1312 13.784,1313 18.52,1314 13.503,1315 11.075,1316 19.14,1317 13.943,1318 17.205,1319 0.261,1320 0.163,1321 17.205,1322 10.75,1323 16.209,1324 0.167,1325 0.089,1326 16.209,1327 8.645,1328 14.283,1329 0.106,1330 0.049,1331 14.283,1332 6.63,1333 11.457,1334 0.066,1335 0.026,1336 11.457,1337 4.523,1338 0.203,1339 118.902,1340 0.18,1341 34.96,1342 0.352,1343 222,1344 551.251,1345 238.73,1346 544.922,1347 772.23,1348 514,1349 274,1350 596.831,1351 293.977,1352 604.333,1353 898.51,1354 573,1355 8.5} {0 CHEMBL38465,1 1.53,2 7.944,3 2.654,4 7.041,5 74.561,6 8.238,7 0.8,8 3.541,9 3.654,10 3.275,11 3.213,12 4.637,13 3.148,14 4.015,15 4.173,16 3.614,17 3.566,18 5.048,19 3.479,20 4.128,21 4.329,22 3.422,23 3.553,24 5.084,25 3.426,26 4.137,27 4.356,28 3.445,29 3.514,30 5.079,31 3.353,32 4.041,33 4.292,34 3.467,35 3.412,36 4.922,37 3.231,38 3.748,39 3.926,40 3.014,41 3.221,42 4.683,43 3.048,44 3.632,45 3.854,46 2.612,47 2.968,48 4.475,49 2.813,50 3.53,51 3.782,52 2.634,53 2.824,54 4.437,55 2.722,56 0.021,57 0.461,58 5.894,59 2.751,60 5.41,61 3.419,62 0.09,63 0.755,64 12.068,65 4.767,66 9.784,67 5.912,68 0.115,69 0.821,70 14.683,71 5.447,72 14.617,73 6.644,74 0.137,75 0.83,76 14.686,77 5.546,78 17.013,79 7.031,80 0.131,81 0.757,82 17.905,83 6.236,84 14.702,85 7.407,86 0.104,87 0.591,88 15.25,89 4.836,90 10.456,91 4.841,92 0.037,93 0.454,94 8.407,95 3.545,96 7.026,97 4.726,98 0.05,99 0.412,100 7.401,101 2.911,102 8.422,103 4.046,104 2,105 27,106 0.285,107 0.655,108 0.773,109 0.819,110 0.836,111 0.836,112 2.96,113 1.004,114 -3.52,115 -3.49,116 -3.33,119 45.2,120 1,121 1,140 5,141 1,144 2,149 1,150 1,158 1,159 1,169 6,172 4,174 1,176 1,178 7,182 3,186 1,189 5,192 1,193 3,199 3,203 2,206 1,208 1,211 5,215 1,222 3,226 2,231 1,233 2,237 2,242 2,244 2,249 1,254 2,256 2,259 338,260 12.43,261 12.43,262 12.43,263 12.43,264 12.43,265 10.474,266 8.134,267 7.505,268 12.815,269 9.899,270 9.899,271 9.899,272 9.899,273 9.899,274 7.1,275 10.473,276 3.593,277 10.521,278 3.425,279 1.447,280 0.81,281 0.565,282 0.476,283 0.476,284 3.639,287 1,288 1,289 1,290 312,291 1.871,294 97.017,295 57.573,302 1.401,303 7.895,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 37.5,315 143,316 4.317,317 3.15,318 6.193,319 3.901,320 2.953,321 3.975,322 0.68,323 9.271,324 2.811,325 4.174,326 2.882,327 6.056,328 3.766,329 2.799,330 3.802,332 8.708,333 2.703,334 3.72,335 2.451,336 5.273,337 3.217,338 2.304,339 3.239,341 6.673,342 2.08,343 3.127,344 1.815,345 4.363,346 2.69,347 1.715,348 2.366,350 4.265,351 1.663,352 2.678,353 1.497,354 4.01,355 2.236,356 1.296,357 1.744,359 3.319,360 1.212,361 2.56,362 1.213,363 3.484,364 2.054,365 1.126,366 1.585,368 2.581,369 1.042,370 2.5,371 1.054,372 3.407,373 2,374 1,375 1.5,377 2.347,378 1,379 2.465,380 1,381 3.264,382 1.943,383 1,384 1.449,386 2.136,387 0.936,388 2.168,389 0.678,390 3.247,391 1.475,392 0.674,393 1.004,395 1.65,396 0.53,397 1.086,398 0.057,399 2.739,400 0.764,401 -0.178,402 -0.221,404 -0.467,405 -0.167,406 0.738,407 -0.434,408 2.24,409 0.313,410 -0.663,411 -0.853,413 -1.514,414 -0.639,415 0.5,416 -0.703,417 1.629,418 0.126,419 -0.837,420 -1.048,422 -2.027,423 -0.799,424 0.417,425 -1,426 1.568,428 -1,429 -1.5,431 -2.347,432 -1,433 0.029,434 -1.097,435 1.555,436 -0.453,437 -1.373,438 -1.722,440 -3.596,441 -1.165,442 -0.038,443 -1.43,444 1.336,445 -0.553,446 -1.462,447 -1.999,449 -4.042,450 -1.33,451 9.033,452 0.502,453 0.346,454 0.019,455 25.5,456 1.417,457 14,458 0.778,459 11.5,460 0.639,461 11.816,462 0.656,463 17.967,464 0.58,465 13.744,466 0.764,467 4.961,468 0.276,469 3.865,470 0.215,471 0.055,473 0.277,479 0.919,480 1.111,481 0.72,482 0.828,483 0.869,484 0.823,485 0.84,486 1.106,487 0.877,488 0.979,489 0.867,490 0.901,491 1.388,492 1.001,493 1.123,494 1.007,495 1.28,496 1.043,497 1.078,498 1.016,499 0.977,500 1.001,501 1.187,502 1.097,503 0.715,504 0.87,505 1.028,506 0.946,507 0.628,508 0.727,509 1.692,510 1.166,511 2.291,512 1.757,513 1.512,514 1.28,515 0.673,516 1.154,517 0.941,518 1.15,519 0.792,520 1.261,521 0.838,522 0.898,523 0.515,524 0.67,525 0.7,526 0.805,527 3,528 0.017,529 1.778,530 0.979,531 0.476,532 0.358,533 0.198,534 0.128,535 0.067,536 0.039,537 3072,538 7813,539 2.154,540 41.9,542 5,543 1,544 1,545 1,546 5,550 1.582,551 2.077,552 3.009,553 -0.28,555 1,557 1,559 47.417,560 1.53,561 3.507,562 4.144,563 4.389,564 4.478,565 4.478,566 2.461,567 3.837,568 4.144,569 3.155,570 482.7,571 7.009,572 4591.02,573 1,574 1,576 1,577 153.58,578 1.135,579 4.128,580 0.15,581 0.006,582 0.066,583 0.045,584 0.025,585 0.019,586 0.014,587 0.013,588 0.006,589 0.005,590 0.348,591 0.83,592 1,593 0.463,594 76.846,595 -0.034,596 -0.08,597 0.068,598 0.04,599 -0.047,600 0.032,601 0.152,602 -0.079,603 0.052,604 -0.037,605 0.044,607 -0.293,608 0.018,609 -0.189,610 -0.074,611 -0.245,612 -0.126,613 -0.014,614 -0.023,615 -0.015,616 -0.05,617 -0.122,618 -0.154,619 0.301,620 0.119,621 0.32,622 0.26,623 0.388,624 0.331,625 -0.509,626 -0.037,627 -0.682,628 -0.404,629 -0.457,630 -0.293,631 -0.02,632 -0.291,633 -0.19,634 -0.289,635 -0.038,636 -0.285,637 0.054,638 -0.01,639 0.145,640 0.11,641 0.278,642 0.16,643 0.702,644 1.661,645 0.889,646 12.247,647 0.994,648 1.113,649 2.286,650 5.226,651 0.725,652 3.045,653 3.332,654 3.584,655 3.807,656 3.85,657 3.85,658 3.97,659 4.025,660 4.007,661 3.951,662 4.951,663 0.674,664 255.37,665 3.045,666 4.554,667 5.389,668 6.244,669 7.094,670 7.953,671 8.809,672 9.669,673 10.528,674 11.389,675 9.7,683 1,685 2,688 7,689 2,690 1,692 1,693 5,695 16,714 31,716 16,717 1,718 20,720 33,721 14,722 12,723 1,724 5,730 3,731 3,736 1,743 1,745 12,746 2,761 1,764 13,765 2,766 1,767 4,768 1,770 1,773 3,777 1,792 2,793 1,819 3,821 1,823 1,827 18,833 1,841 1,854 8.667,855 5.9,856 3.972,857 1.779,858 2.817,859 1.443,860 1.026,861 3.135,862 9.18,863 3.367,864 3.97,865 4.543,866 5.103,867 5.372,868 5.59,869 6.027,870 6.373,871 6.663,872 6.888,873 1,874 22,875 6.61,877 2.737,878 7.509,879 12.872,881 10.437,883 2.009,884 36.167,885 0.002,888 141.253,889 118.672,890 50.357,894 31.278,895 87.394,896 141.253,897 50.357,898 8.825,899 2.535,900 55.03,901 54.89,902 25.485,903 14.528,904 148.989,906 141.253,907 137.751,909 31.278,911 141.253,915 43.207,916 60.973,917 33.571,918 31.278,919 141.253,920 50.357,921 118.672,924 141.253,925 46.198,926 72.474,927 16.786,928 33.571,929 141.253,930 50.357,931 118.672,933 0.573,934 0.333,935 0.178,936 0.083,937 14,938 5,939 0.091,940 3,942 1,943 3.196,944 126.593,946 16,947 71.059,948 1,951 11.454,952 4.927,953 2.477,955 33.571,956 14.086,957 8.965,958 3.093,960 1.686,961 5.502,963 16.786,964 310.282,965 28,975 30.8,976 34.491,977 0.309,978 0.708,979 0.836,980 0.886,981 0.904,982 0.904,983 4.554,984 1,985 5.342,986 2.347,987 4.007,988 4.654,989 0.655,990 6.098,991 3.894,992 5.749,993 0.674,994 6.862,995 2.136,996 3.434,997 4.227,999 6.862,1000 3.295,1001 7.034,1002 -0.178,1003 8.482,1004 1.65,1005 5.541,1006 6.822,1007 0.356,1008 9.943,1009 5.334,1010 8.358,1011 -0.663,1012 10.162,1013 -0.467,1014 5.861,1015 7.311,1017 11.567,1018 5.613,1019 9.716,1020 -0.837,1021 11.882,1022 -1.514,1023 7.365,1024 9.249,1025 0.18,1026 14.099,1027 7.073,1028 11.096,1029 -1,1030 13.628,1031 -2.027,1032 8.082,1033 10.163,1035 16.054,1036 7.745,1037 12.493,1038 -1.373,1039 15.392,1040 -2.347,1041 9.336,1042 11.807,1043 0.087,1044 18.391,1045 8.962,1046 2.953,1047 -1.462,1048 17.168,1049 -3.596,1050 10.236,1051 12.934,1053 20.485,1054 9.815,1055 2.799,1056 9.271,1057 18.953,1058 -4.042,1059 11.383,1060 14.438,1061 0.041,1062 22.747,1063 10.925,1064 2.304,1065 8.708,1066 20.744,1067 3.975,1068 12.369,1069 15.674,1071 24.903,1072 11.864,1073 1.715,1074 6.673,1075 22.54,1076 3.802,1077 13.469,1078 17.109,1079 0.019,1080 27.133,1081 12.926,1082 1.296,1083 4.265,1084 24.34,1085 3.239,1086 14.497,1087 18.404,1089 29.318,1090 13.906,1091 1.126,1092 3.319,1093 26.142,1094 2.366,1095 15.577,1096 19.805,1097 0.009,1098 31.536,1099 14.945,1100 1,1101 2.581,1102 27.946,1103 1.744,1104 16.625,1105 21.13,1107 33.734,1108 15.946,1109 2949,1110 4805,1111 13.811,1112 22.472,1113 30.219,1114 29.645,1115 30.072,1116 29.645,1117 29.734,1118 41.328,1119 1.36,1120 81.898,1121 27.954,1122 5.102,1123 5.15,1124 5.995,1125 5.002,1126 4.953,1127 6.975,1128 1.36,1129 15.572,1130 4.811,1131 5.067,1132 1.511,1133 1.482,1134 1.504,1135 1.482,1136 1.487,1137 2.066,1138 0.068,1139 4.095,1140 1.398,1141 4.009,1142 4.047,1143 4.238,1144 3.963,1145 4.989,1146 3.931,1147 3.899,1148 3.944,1149 3.853,1150 3.766,1151 4.865,1152 3.774,1153 3.654,1154 3.682,1155 3.764,1156 3.614,1157 4.608,1158 3.564,1159 3.054,1160 3.155,1161 2.89,1162 2.905,1163 3.833,1164 2.889,1165 3.008,1166 3.094,1167 2.787,1168 2.791,1169 3.685,1170 2.774,1171 2.854,1172 2.925,1173 2.769,1174 2.735,1175 3.674,1176 2.715,1177 2.715,1178 2.772,1179 2.687,1180 2.646,1181 3.491,1182 2.592,1183 2.211,1184 2.336,1185 2.243,1186 1.96,1187 3.32,1188 1.962,1189 0.216,1190 0.158,1191 0.31,1192 0.195,1193 0.148,1194 4.317,1195 0.199,1196 3.15,1197 0.034,1198 6.193,1199 0.464,1200 3.901,1201 0.141,1202 2.953,1203 3.975,1204 0.68,1205 9.271,1206 2.811,1207 1.906,1208 1.881,1209 2.02,1210 1.981,1211 1.096,1212 1.996,1213 1.675,1214 1.636,1215 1.831,1216 1.83,1217 1.048,1218 1.837,1219 1.429,1220 1.368,1221 1.605,1222 1.674,1223 0.742,1224 1.664,1225 1.312,1226 1.285,1227 1.397,1228 1.423,1229 0.538,1230 1.43,1231 1.148,1232 1.087,1233 1.365,1234 1.333,1235 0.328,1236 1.39,1237 0.886,1238 0.821,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.791,1244 0.718,1245 0.961,1246 0.979,1247 0.137,1248 1.024,1249 0.625,1250 0.547,1251 0.854,1252 0.839,1254 0.875,1255 3.714,1257 5.004,1258 3.045,1259 6.472,1260 5.283,1261 8.016,1262 7.248,1263 9.6,1265 2.036,1271 0.798,1280 20.885,1281 47.417,1282 108.709,1283 128.461,1284 136.07,1285 138.825,1286 138.825,1287 17.472,1288 6.363,1289 41.57,1290 69.81,1291 16,1292 11.939,1293 4.087,1294 3.17,1295 25.863,1296 54,1297 44,1298 0.242,1299 133.905,1300 214.01,1301 318.488,1302 4280,1304 12.372,1305 0.687,1306 0.604,1307 12.726,1308 10.868,1309 8.826,1310 0.441,1311 0.335,1312 5.842,1313 8.161,1314 5.574,1315 4.653,1316 9.281,1317 6.694,1318 7.741,1319 0.287,1320 0.188,1321 8.319,1322 5.086,1323 6.573,1324 0.188,1325 0.106,1326 7.213,1327 3.723,1328 5.362,1329 0.122,1330 0.06,1331 6.096,1332 2.65,1333 3.71,1334 0.081,1335 0.037,1336 4.348,1337 1.699,1338 0.376,1339 58.817,1340 0.269,1341 18.236,1342 0.67,1343 94,1344 242.483,1345 122.389,1346 264.451,1347 370.53,1348 250,1349 109,1350 264.654,1351 133.341,1352 285.82,1353 413.2,1354 269,1355 6} {0 CHEMBL39,1 1.514,2 5.538,3 1.283,4 1.647,5 52.067,6 7.05,7 0.714,8 3.328,9 3.462,10 2.828,11 2.849,12 4.473,13 2.826,14 3.788,15 3.958,16 3.142,17 3.235,18 4.858,19 3.178,20 4.018,21 4.242,22 3.084,23 3.284,24 5.019,25 3.186,26 3.976,27 4.22,28 2.891,29 3.157,30 4.918,31 3.031,32 3.839,33 4.11,34 2.649,35 2.871,36 4.868,37 2.727,38 3.618,39 3.901,40 2.06,41 2.503,42 4.618,43 2.332,44 3.238,45 3.569,46 1.569,47 1.985,48 4.322,49 1.761,50 2.556,51 2.902,52 0.489,53 1.239,54 3.434,55 1,56 0.048,57 0.368,58 5.642,59 2.143,60 9.029,61 2.948,62 0.042,63 0.563,64 9.162,65 3.695,66 10.319,67 5.175,68 0.101,69 0.631,70 12.379,71 4.541,72 19.021,73 6.495,74 0.092,75 0.588,76 12.029,77 4.196,78 14.562,79 6.19,80 0.149,81 0.479,82 10.852,83 3.499,84 19.058,85 5.281,86 0.151,87 0.347,88 9.097,89 2.434,90 24.524,91 3.698,92 0.139,93 0.208,94 6.408,95 1.758,96 25.018,97 2.761,98 0.074,99 0.091,100 3.265,101 0.747,102 12.36,103 1.185,104 7,105 19,106 0.306,107 0.731,108 0.851,109 0.889,110 0.889,111 0.889,112 2.67,113 0.922,114 -2.24,115 -2.28,116 -2.25,119 40,121 1,125 1,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 4,176 6,178 4,180 1,186 6,189 4,191 1,197 2,199 2,201 1,207 2,208 2,210 1,211 1,213 1,220 1,224 1,230 1,231 1,232 1,235 1,259 138,260 8.87,261 8.87,262 8.87,263 8.87,264 8.87,265 7.688,266 5.544,267 5.353,268 8.983,269 6.88,270 6.88,271 6.88,272 6.88,273 6.88,274 5.096,275 2.633,276 2.458,277 7.077,278 3.13,279 1.02,280 0.43,281 0.24,282 0.24,283 0.24,284 3.308,288 1,289 1,290 149,291 2,294 23.156,295 27.479,298 42.809,302 0.888,303 10.804,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 28,315 72,316 4.547,317 3.168,318 6.543,319 4.071,320 3.086,321 4.502,323 10.342,324 3.04,325 3.639,326 2.532,327 5.162,328 3.23,329 2.265,330 3.064,332 6.211,333 2.182,334 3.33,335 2.114,336 4.949,337 2.907,338 1.94,339 2.662,341 5.695,342 1.868,343 2.735,344 1.392,345 4.136,346 2.3,347 1.319,348 1.835,350 3.457,351 1.292,352 2.319,353 1.16,354 3.318,355 2.01,356 1.058,357 1.277,359 2.073,360 1.004,361 1.97,362 0.764,363 3.025,364 1.591,365 0.637,366 0.837,368 1.289,369 0.606,370 1.063,371 0.115,372 2.375,373 0.717,374 -0.217,375 -0.259,377 -0.418,378 -0.2,379 0.68,380 -0.325,381 2,382 0.335,383 -0.612,384 -0.718,386 -1.21,387 -0.574,388 0.467,389 -0.881,390 2,391 0.076,392 -0.905,393 -1.311,395 -2.666,396 -0.89,397 -0.014,398 -1.082,399 1.641,400 -0.362,401 -1.28,402 -1.532,404 -2.977,405 -1.178,406 -0.099,407 -1.389,408 1.109,409 -0.534,410 -1.507,411 -1.985,413 -4.097,414 -1.465,415 -0.421,416 -1.731,417 0.853,418 -0.873,419 -1.866,420 -2.53,422 -5.05,423 -1.83,424 -0.5,425 -1.896,426 0.654,427 -0.969,428 -1.918,429 -2.841,431 -5.996,432 -1.855,433 -0.714,434 -2,435 0.234,436 -1,437 -2,438 -3,440 -6.654,441 -2,451 6.133,452 0.472,453 0.277,454 0.021,455 16.5,456 1.269,457 8.5,458 0.654,459 8,460 0.615,461 7.587,462 0.584,463 14.267,464 0.571,465 9.215,466 0.709,467 3.356,468 0.258,469 2.953,470 0.227,471 0.12,473 0.326,479 1.166,480 1.023,481 0.926,482 0.859,483 1.153,484 0.847,485 0.73,486 1.14,487 0.886,488 1.077,489 0.633,490 1.008,491 0.916,492 1.048,493 0.96,494 1.039,495 0.896,496 1.014,497 0.843,498 1.159,499 1.045,500 1.166,501 0.746,502 1.137,503 0.67,504 1.074,505 0.974,506 1.164,507 0.746,508 1.12,509 1.74,510 0.948,511 1.341,512 0.979,513 1.781,514 1.087,515 1.027,516 0.71,517 0.889,518 0.744,519 1.13,520 0.804,521 2.007,522 0.334,523 1.196,524 0.42,525 2.277,526 0.657,527 2.5,529 1.556,530 0.854,531 0.613,532 0.306,533 0.101,534 0.028,537 977,538 2655,539 2.037,540 48,542 5,543 1,545 4,547 2,550 1.487,551 1.902,552 2.541,553 2.342,557 1,559 37.858,560 1.514,561 3.623,562 4.214,563 4.404,564 4.404,565 4.404,566 1.922,567 3.335,568 3.669,569 2.566,570 200.126,571 6.094,572 1450.31,574 1,577 116.096,578 1.42,579 3.628,580 0.179,582 0.082,583 0.05,584 0.047,585 0.034,586 0.025,587 0.014,590 0.431,591 0.67,592 1,593 1.269,594 46.532,595 -0.218,596 0.198,597 -0.029,598 0.199,599 -0.226,600 0.131,601 -0.05,602 -0.013,603 -0.006,604 -0.013,605 0.008,607 -0.075,608 -0.058,609 -0.032,610 -0.031,611 -0.061,612 -0.026,613 -0.056,614 -0.191,615 -0.114,616 -0.192,617 -0.038,618 -0.164,619 0.245,620 -0.158,621 -0.003,622 -0.245,623 0.146,624 -0.176,625 -0.319,626 -0.088,627 -0.306,628 -0.124,629 -0.31,630 -0.201,631 0.224,632 0.018,633 0.168,634 0.108,635 0.269,636 0.118,637 -0.382,638 0.356,639 -0.08,640 0.361,641 -0.454,642 0.21,643 1.37,644 3.296,645 0.692,646 6.083,647 0.998,648 1.131,649 1.006,650 1.013,651 0.651,652 2.708,653 2.996,654 3.258,655 3.526,656 3.664,657 3.584,658 3.497,659 3.367,660 2.773,661 2.197,662 3.431,663 0.616,664 176.24,665 2.708,666 4.205,667 5.043,668 5.916,669 6.783,670 7.663,671 8.539,672 9.421,673 10.299,674 11.181,675 8,676 1,683 1,687 2,688 4,690 1,693 2,695 10,711 1,714 25,716 10,717 1,718 14,720 26,721 10,722 8,723 3,724 3,730 2,731 3,736 1,743 1,745 8,746 2,764 12,765 2,766 4,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,827 13,828 1,832 1,833 2,847 4,849 1,854 6.833,855 4.117,856 2.972,857 1.39,858 2.098,859 1.376,860 0.974,861 2.143,862 7.674,863 2.996,864 3.644,865 4.299,866 4.947,867 5.426,868 5.67,869 5.943,870 6.198,871 5.547,872 5.023,873 0.75,874 17,875 4.767,876 -0.003,877 1.984,878 7.821,879 9.101,880 -0.001,881 7.399,882 0.001,883 2.321,884 30.167,885 0.008,888 94.169,889 50.019,890 49.683,892 42.683,895 50.019,896 136.852,897 49.683,899 37.537,900 37.476,901 42.683,902 22.544,903 13.915,904 82.398,906 94.169,907 99.702,908 42.683,911 70.627,912 66.226,915 54.323,916 45.379,919 94.169,920 92.366,921 50.019,924 94.169,925 12.543,926 37.476,927 16.786,928 75.581,929 94.169,930 92.366,931 50.019,933 0.564,934 0.333,935 0.194,936 0.11,937 10,938 4,939 0.077,940 2,941 1,942 1.222,943 2.521,944 78.979,945 0.222,946 9,947 48.106,951 8.443,952 3.3,953 1.492,954 2.103,955 75.581,956 7.24,958 3.134,961 1.457,963 92.366,964 236.554,965 19,975 24.949,976 28.282,977 0.326,978 0.78,979 0.907,980 0.948,981 0.948,982 0.948,983 4.182,984 -0.612,985 5.017,986 -0.418,987 3.664,988 4.324,990 5.82,991 3.611,992 5.402,993 -0.905,994 6.567,995 -1.21,996 3.219,997 4.227,999 6.72,1000 3.144,1001 6.72,1002 -1.28,1003 8.22,1004 -2.666,1005 5.231,1006 6.654,1008 9.823,1009 5.145,1010 8.084,1011 -1.507,1012 9.935,1013 -2.977,1014 5.638,1015 7.44,1017 11.594,1018 5.535,1019 9.485,1020 -1.866,1021 11.691,1022 -4.097,1023 7.117,1024 9.319,1026 14.202,1027 7.005,1028 10.911,1029 -1.918,1030 13.476,1031 -5.05,1032 7.923,1033 10.506,1035 16.321,1036 7.796,1037 12.358,1038 -2,1039 15.282,1040 -5.996,1041 9.186,1042 12.164,1044 18.759,1045 9.049,1046 3.086,1048 17.104,1049 -6.654,1050 10.173,1051 13.532,1053 21.013,1054 10.023,1055 2.265,1056 10.342,1057 18.938,1059 11.35,1060 15.1,1062 23.388,1063 11.189,1064 1.94,1065 6.211,1066 20.782,1067 4.502,1068 12.417,1069 16.547,1071 25.693,1072 12.242,1073 1.319,1074 5.695,1075 22.634,1076 3.064,1077 13.562,1078 18.077,1080 28.044,1081 13.375,1082 1.058,1083 3.457,1084 24.492,1085 2.662,1086 14.663,1087 19.557,1089 30.368,1090 14.462,1091 0.637,1092 2.073,1093 26.354,1094 1.835,1095 15.796,1096 21.072,1098 32.711,1099 15.581,1100 -0.217,1101 1.289,1102 28.22,1103 1.277,1104 16.911,1105 22.566,1107 35.042,1108 16.682,1109 1047,1110 1765,1111 9.246,1112 16.273,1113 20.793,1114 20.595,1115 21.696,1116 20.647,1117 20.612,1118 28.353,1120 58.135,1121 19.983,1122 5.261,1123 5.168,1124 6.309,1125 5.071,1126 5.086,1127 7.502,1129 16.996,1130 5.04,1131 5.638,1132 1.485,1133 1.471,1134 1.55,1135 1.475,1136 1.472,1137 2.025,1139 4.153,1140 1.427,1141 4.126,1142 4.158,1143 4.084,1144 4.041,1145 6.471,1146 4.048,1147 3.557,1148 3.625,1149 3.433,1150 3.415,1151 5.022,1152 3.411,1153 3.345,1154 3.416,1155 3.21,1156 3.111,1157 4.9,1158 3.124,1159 2.953,1160 3.026,1161 2.819,1162 2.796,1163 4.127,1164 2.793,1165 2.644,1166 2.777,1167 2.393,1168 2.342,1169 3.768,1170 2.337,1171 2.544,1172 2.594,1173 2.368,1174 2.25,1175 3.418,1176 2.262,1177 2.146,1178 2.28,1179 1.864,1180 1.736,1181 2.969,1182 1.75,1183 2.029,1184 2.173,1185 1.654,1186 1.562,1187 2.697,1188 1.564,1189 0.325,1190 0.226,1191 0.467,1192 0.291,1193 0.22,1194 4.547,1195 0.322,1196 3.168,1198 6.543,1199 0.739,1200 4.071,1201 0.217,1202 3.086,1203 4.502,1205 10.342,1206 3.04,1207 1.932,1208 1.914,1209 2.018,1210 2.018,1211 1.22,1212 2.018,1213 1.648,1214 1.59,1215 1.85,1216 1.845,1217 1.008,1218 1.853,1219 1.285,1220 1.198,1221 1.523,1222 1.576,1223 0.555,1224 1.568,1225 0.985,1226 0.939,1227 1.199,1228 1.242,1229 0.238,1230 1.231,1231 0.763,1232 0.697,1233 1.074,1234 0.99,1235 0.113,1236 1.019,1237 0.525,1238 0.382,1239 0.942,1240 0.918,1242 0.936,1243 0.067,1245 0.691,1246 0.574,1248 0.606,1249 0.004,1251 0.568,1252 0.47,1254 0.537,1255 3.367,1257 4.654,1258 2.398,1259 6.146,1260 4.727,1261 7.739,1262 6.823,1263 9.387,1269 5.472,1270 9.296,1271 1.464,1280 15.392,1281 37.858,1282 90.587,1283 105.342,1284 110.096,1285 110.096,1286 110.096,1287 14.956,1288 5.576,1289 62.04,1290 62.04,1291 11,1292 11.716,1293 3.459,1294 2.585,1295 19.091,1296 26,1297 29,1298 0.393,1299 97.782,1300 155.27,1301 230.349,1302 1355,1304 9.259,1305 0.712,1306 0.558,1307 9.259,1308 7.248,1309 6.309,1310 0.451,1311 0.307,1312 4.254,1313 6.124,1314 4.172,1315 3.47,1316 6.309,1317 4.301,1318 5.468,1319 0.288,1320 0.162,1321 5.468,1322 3.082,1323 4.484,1324 0.179,1325 0.087,1326 4.484,1327 2.165,1328 3.795,1329 0.115,1330 0.046,1331 3.795,1332 1.529,1333 2.995,1334 0.079,1335 0.025,1336 2.995,1337 0.967,1338 0.567,1339 39.238,1340 0.329,1341 12.914,1342 1.219,1343 66,1344 169.795,1345 70.518,1346 169.712,1347 232.8,1348 158,1349 77,1350 172.425,1351 81.159,1352 176.736,1353 256.42,1354 167,1355 8.523} {0 CHEMBL391033,1 1.565,2 14.939,3 4.288,4 18.383,5 123.792,6 7.37,7 0.459,8 4.216,9 4.328,10 3.779,11 3.749,12 5.269,13 3.734,14 4.797,15 4.966,16 4.151,17 4.156,18 5.827,19 4.123,20 5.086,21 5.291,22 4.23,23 4.32,24 6.15,25 4.249,26 5.13,27 5.372,28 4.066,29 4.297,30 6.022,31 4.177,32 5.099,33 5.358,34 3.958,35 4.204,36 6.02,37 4.08,38 4.988,39 5.239,40 3.86,41 4.097,42 5.887,43 3.975,44 4.909,45 5.158,46 3.845,47 4.029,48 5.791,49 3.927,50 4.884,51 5.114,52 3.825,53 4.018,54 5.867,55 3.927,56 0.033,57 0.937,58 12.656,59 5.905,60 6.244,61 7.485,62 0.269,63 1.55,64 25.366,65 9.875,66 26.482,67 12.945,68 0.756,69 1.951,70 36.394,71 12.996,72 72.331,73 17.384,74 0.417,75 1.955,76 38.987,77 14.907,78 48.786,79 20.354,80 0.557,81 1.907,82 39.256,83 14.035,84 69.644,85 19.199,86 0.499,87 1.71,88 34.776,89 12.301,90 57.664,91 16.908,92 0.439,93 1.581,94 31.849,95 10.841,96 47.488,97 14.985,98 0.543,99 1.661,100 31.334,101 10.897,102 63.426,103 13.851,104 10,105 52,106 0.252,107 0.594,108 0.801,109 0.867,110 0.867,111 0.867,112 3.531,113 0.934,114 -4.22,115 -4.16,116 -3.93,119 42.6,120 1,121 3,122 1,125 5,140 7,141 2,142 4,144 2,156 1,169 10,172 8,174 1,176 1,178 11,181 2,182 7,184 1,186 2,189 9,192 1,193 5,197 2,199 9,203 7,208 1,211 4,215 9,220 2,225 1,226 7,233 2,237 3,240 1,244 5,248 1,249 5,256 7,259 1920,260 22.48,261 22.48,262 22.48,263 22.48,264 22.48,265 20.237,266 27.206,267 13.179,268 22.976,269 18.286,270 18.286,271 18.286,272 18.286,273 18.286,274 14.827,275 30.194,276 6.315,277 19.109,278 4.366,279 2.238,280 0.949,281 0.537,282 0.537,283 0.537,284 4.243,288 1,289 1,290 1097,291 3.082,295 488.566,299 325.575,302 2.32,303 35.181,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 72,315 493,316 4.578,317 3.653,318 6.676,319 4.099,320 3.135,321 4.518,322 2.03,323 10.747,324 3.019,325 4.305,326 3.38,327 6.214,328 3.932,329 2.968,330 3.931,331 0.892,332 9.355,333 2.864,334 3.859,335 3.05,336 5.664,337 3.649,338 2.681,339 3.367,340 0.86,341 7.691,342 2.599,343 3.763,344 2.893,345 5.589,346 3.415,347 2.475,348 2.992,349 0.8,350 7.464,351 2.318,352 3.58,353 2.738,354 5.308,355 3.347,356 2.385,357 2.693,358 0.141,359 6.878,360 2.292,361 3.421,362 2.644,363 4.978,364 3.137,365 2.143,366 2.682,368 5.92,369 2.104,370 3.361,371 2.321,372 4.932,373 2.935,374 1.969,375 2.566,377 5.638,378 1.892,379 3.222,380 2.177,381 4.904,382 2.896,383 1.92,384 2.54,386 5.577,387 1.862,388 3.076,389 2.094,390 4.624,391 2.738,392 1.779,393 2.108,395 4.771,396 1.701,397 2.884,398 1.919,399 4.381,400 2.505,401 1.564,402 2.009,404 4.26,405 1.466,406 2.53,407 1.595,408 3.85,409 2.234,410 1.325,411 1.537,413 3.13,414 1.192,415 2.168,416 1.337,417 3.414,418 1.984,419 1,420 1.102,422 2.275,423 0.983,424 2.013,425 1.077,426 3.382,427 1.841,428 0.873,429 1,431 2.074,432 0.841,433 2,434 1.038,435 3.296,436 1.717,437 0.793,438 0.936,440 1.857,441 0.724,442 1.56,443 0.737,444 3.025,445 1.294,446 0.371,447 0.421,449 0.892,450 0.337,451 15.486,452 0.469,453 0.797,454 0.024,455 40.75,456 1.235,457 19,458 0.576,459 21.75,460 0.659,461 30.552,462 0.926,463 36.114,464 0.592,465 29.808,466 0.903,467 7.841,468 0.238,469 8.206,470 0.249,471 0.072,473 0.349,477 1,479 0.701,480 1.198,481 0.759,482 1.133,483 0.537,484 0.989,485 0.909,486 1.079,487 0.88,488 1.024,489 0.574,490 0.956,491 0.907,492 0.953,493 1.03,494 0.994,495 0.826,496 1.022,497 0.754,498 1.024,499 0.947,500 1.104,501 0.619,502 1.078,503 0.933,504 0.953,505 0.973,506 0.982,507 0.895,508 0.988,509 0.947,510 1.016,511 1.022,512 1.042,513 0.939,514 1.05,515 0.974,516 0.97,517 1.002,518 0.957,519 0.866,520 0.977,521 1.492,522 1.146,523 1.248,524 1.026,525 1.592,526 1.072,527 7,528 0.165,529 3.556,530 1.938,531 2.027,532 0.729,533 0.767,534 0.392,535 0.225,536 0.223,537 19203,538 50166,539 2.15,540 45.9,541 3,542 17,545 1,546 3,547 4,550 1.744,551 2.041,552 3.811,553 -0.382,555 1,559 95.448,560 1.565,561 3.693,562 4.981,563 5.394,564 5.394,565 5.394,566 3.222,567 4.779,568 5.02,569 4.04,570 2133.05,571 8.741,572 34350.2,574 1,577 361.775,578 1.301,579 4.989,580 0.189,581 0.007,582 0.068,583 0.037,584 0.046,585 0.019,586 0.022,587 0.011,588 0.007,589 0.008,590 0.414,591 0.33,592 0.88,593 0.467,594 180.054,595 -0.022,596 -0.122,597 0.063,598 -0.054,599 -0.01,600 0.008,601 -0.041,602 -0.072,603 0.028,604 -0.015,605 0.046,606 0.014,607 0.082,608 0.045,609 -0.071,610 -0.015,611 0.061,612 -0.06,613 0.02,614 -0.116,615 0.007,616 -0.099,617 0.044,618 -0.06,619 -0.015,620 0.008,621 0.023,622 0.006,623 0.002,624 0.018,625 -0.027,626 -0.054,627 -0.032,628 -0.06,629 -0.053,630 -0.053,631 -0.075,632 -0.047,633 -0.017,634 -0.004,635 -0.053,636 -0.001,637 -0.207,638 0.054,639 -0.219,640 -0.037,641 -0.214,642 -0.11,643 2.015,644 6.373,645 0.788,646 37.51,647 1.005,648 1.129,649 2.99,650 8.942,651 0.659,652 3.638,653 3.97,654 4.234,655 4.5,656 4.771,657 4.787,658 4.875,659 4.984,660 5.05,661 5.063,662 8.825,663 0.63,664 449.57,665 3.638,666 5.187,667 6.038,668 6.915,669 7.779,670 8.657,671 9.526,672 10.404,673 11.276,674 12.154,675 4.9,678 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 61,716 18,717 2,718 37,720 65,721 26,722 15,723 7,724 5,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,762 1,764 28,765 7,766 1,767 7,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 33,833 8,834 1,835 2,837 1,838 1,846 1,847 4.9,850 1,852 2,854 16.167,855 11.21,856 7.111,857 3.852,858 3.47,859 1.411,860 1,861 6.477,862 11.903,863 3.861,864 4.454,865 5.006,866 5.583,867 6.163,868 6.397,869 6.678,870 6.979,871 7.201,872 6.955,873 0.9,874 53,875 12.296,877 5.343,878 7.737,879 23.744,881 20.09,883 2.237,884 73.833,887 1,888 317.82,889 135.993,890 37.921,892 47.145,893 14.96,895 135.993,896 364.964,897 52.881,898 8.825,899 41.116,900 66.334,901 46.635,902 58.148,903 14.96,904 317.82,906 317.82,907 173.914,908 62.105,911 285.695,912 94.229,915 57.967,916 99.162,917 16.786,919 332.78,920 85.065,921 135.993,924 317.82,925 60.834,926 78.283,927 18.011,928 78.89,929 317.82,930 100.025,931 135.993,933 0.586,934 0.338,935 0.183,936 0.107,937 26,938 11,939 0.092,940 6,941 2,942 1.154,943 4.601,944 299.834,945 0.154,946 26,947 160.465,951 22.121,952 9.662,953 5.126,954 1.464,955 100.025,956 12.933,957 4.461,961 3.566,963 18.011,964 553.838,965 46.5,970 11.561,974 -0.107,975 61.287,976 68.86,977 0.264,978 0.623,979 0.84,980 0.909,981 0.909,982 0.909,983 5.113,984 1.92,985 6.019,986 5.638,987 4.654,988 5.142,989 2.496,990 6.808,991 4.571,992 6.305,993 1.779,994 7.562,995 5.577,996 4.205,997 4.987,998 1.668,999 7.636,1000 4.092,1001 7.608,1002 1.564,1003 9.199,1004 4.771,1005 6.232,1006 7.328,1007 3.324,1008 10.72,1009 6.076,1010 8.941,1011 1.325,1012 10.891,1013 4.26,1014 6.567,1015 7.995,1016 3.213,1017 12.378,1018 6.375,1019 10.307,1020 1,1021 12.62,1022 3.13,1023 8.066,1024 9.846,1025 4.506,1026 14.984,1027 7.838,1028 11.694,1029 0.873,1030 14.375,1031 2.275,1032 8.786,1033 10.921,1034 4.752,1035 17.021,1036 8.518,1037 13.101,1038 0.793,1039 16.151,1040 2.074,1041 10.059,1042 12.568,1043 5.816,1044 19.46,1045 9.759,1046 3.135,1047 0.371,1048 17.943,1049 1.857,1050 10.978,1051 13.855,1052 6.248,1053 21.673,1054 10.637,1055 2.968,1056 10.747,1057 19.749,1058 0.892,1059 12.153,1060 15.412,1061 7.175,1062 24.054,1063 11.78,1064 2.681,1065 9.355,1066 21.567,1067 4.518,1068 13.172,1069 16.805,1070 7.714,1071 26.345,1072 12.76,1073 2.475,1074 7.691,1075 23.395,1076 3.931,1077 14.308,1078 18.324,1079 8.557,1080 28.709,1081 13.862,1082 2.385,1083 7.464,1084 25.232,1085 3.367,1086 15.378,1087 19.769,1088 9.16,1089 31.038,1090 14.893,1091 2.143,1092 6.878,1093 27.076,1094 2.992,1095 16.5,1096 21.274,1097 9.952,1098 33.398,1099 15.98,1100 1.969,1101 5.92,1102 28.926,1103 2.693,1104 17.595,1105 22.746,1106 10.594,1107 35.745,1108 17.037,1109 17590,1110 28605,1111 25.255,1112 40.216,1113 55.088,1114 57.123,1115 56.244,1116 54.982,1117 55.026,1118 69.107,1119 9.447,1120 157.724,1121 52.633,1122 5.578,1123 5.653,1124 6.207,1125 5.206,1126 5.135,1127 7.518,1128 3.634,1129 17.913,1130 5.019,1131 13.932,1132 1.489,1133 1.544,1134 1.52,1135 1.486,1136 1.487,1137 1.868,1138 0.255,1139 4.263,1140 1.423,1141 4.085,1142 4.109,1143 4.052,1144 4.001,1145 8.201,1146 4.01,1147 3.997,1148 4.027,1149 3.939,1150 3.907,1151 7.429,1152 3.909,1153 3.84,1154 3.894,1155 3.73,1156 3.691,1157 4.979,1158 3.691,1159 3.571,1160 3.615,1161 3.489,1162 3.43,1163 4.845,1164 3.433,1165 3.523,1166 3.565,1167 3.442,1168 3.334,1169 4.548,1170 3.353,1171 3.411,1172 3.463,1173 3.274,1174 3.229,1175 4.346,1176 3.234,1177 3.127,1178 3.206,1179 3.007,1180 2.966,1181 4.236,1182 2.962,1183 3.111,1184 3.187,1185 2.898,1186 2.941,1187 4.161,1188 2.91,1189 0.124,1190 0.099,1191 0.18,1192 0.111,1193 0.085,1194 4.578,1195 0.122,1196 3.653,1197 0.055,1198 6.676,1199 0.29,1200 4.099,1201 0.082,1202 3.135,1203 4.518,1204 2.03,1205 10.747,1206 3.019,1207 2.028,1208 2.008,1209 2.109,1210 2.126,1211 1.478,1212 2.117,1213 1.96,1214 1.932,1215 2.09,1216 2.083,1217 1.218,1218 2.089,1219 1.811,1220 1.76,1221 1.968,1222 1.989,1223 1.154,1224 1.984,1225 1.533,1226 1.491,1227 1.744,1228 1.732,1229 1.006,1230 1.735,1231 1.47,1232 1.421,1233 1.693,1234 1.665,1235 0.825,1236 1.67,1237 1.378,1238 1.329,1239 1.598,1240 1.59,1241 0.796,1242 1.602,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.775,1248 1.429,1249 1.118,1250 1.054,1251 1.414,1252 1.325,1253 0.633,1254 1.351,1255 4.317,1257 5.645,1259 7.169,1261 8.786,1263 10.449,1265 1.921,1267 14.373,1271 6.481,1272 2.882,1273 11.317,1275 0.602,1276 2.378,1280 38.44,1281 95.448,1282 225.279,1283 303.859,1284 329.02,1285 329.02,1286 329.02,1287 59.58,1288 8.434,1289 63.69,1290 63.69,1291 30,1292 12.693,1293 4.248,1294 3.392,1295 48.346,1296 180,1297 144,1298 0.129,1299 230.428,1300 405.54,1301 554.003,1302 70316,1303 1.6,1304 22.786,1305 0.69,1306 0.569,1307 21.916,1308 18.773,1309 16.047,1310 0.434,1311 0.311,1312 11.346,1313 15.377,1314 11.104,1315 9.117,1316 15.636,1317 11.516,1318 14.731,1319 0.283,1320 0.171,1321 14.204,1322 8.901,1323 12.344,1324 0.182,1325 0.095,1326 11.863,1327 6.475,1328 10.339,1329 0.116,1330 0.053,1331 10.025,1332 4.681,1333 8.904,1334 0.076,1335 0.03,1336 8.573,1337 3.493,1338 0.212,1339 100.97,1340 0.199,1341 31.535,1342 0.327,1343 178,1344 554.941,1345 197.32,1346 501.732,1347 680.44,1348 472,1349 209,1350 494.062,1351 229.091,1352 491.002,1353 722.25,1354 463,1355 8.6} {0 CHEMBL391271,1 1.496,2 13.879,3 4.062,4 16.496,5 129.703,6 7.105,7 0.459,8 4.236,9 4.359,10 3.768,11 3.789,12 5.272,13 3.758,14 4.82,15 4.997,16 4.153,17 4.216,18 5.843,19 4.167,20 5.13,21 5.342,22 4.252,23 4.425,24 6.082,25 4.341,26 5.234,27 5.462,28 4.176,29 4.47,30 6.122,31 4.341,32 5.306,33 5.579,34 4.088,35 4.437,36 6.088,37 4.28,38 5.241,39 5.517,40 4.032,41 4.329,42 6.056,43 4.182,44 5.136,45 5.395,46 3.962,47 4.243,48 6.039,49 4.108,50 5.038,51 5.297,52 3.767,53 4.171,54 5.891,55 4.007,56 0.029,57 0.968,58 13.68,59 6.105,60 9.861,61 8.056,62 0.24,63 1.62,64 26.643,65 10.303,66 34.881,67 13.943,68 0.395,69 2.112,70 37.958,71 14.246,72 49.998,73 19.301,74 0.356,75 2.233,76 42.244,77 16.493,78 51.992,79 22.876,80 0.341,81 2.274,82 47.123,83 17.778,84 54.962,85 25.408,86 0.465,87 2.113,88 44.892,89 15.91,90 64.156,91 22.868,92 0.664,93 1.901,94 40.564,95 14.016,96 73.757,97 19.696,98 0.337,99 1.839,100 36.121,101 13.61,102 58.121,103 18.77,104 18,105 53,106 0.239,107 0.57,108 0.785,109 0.898,110 0.903,111 0.903,112 3.532,113 0.949,114 -4.92,115 -4.83,116 -4.53,119 42.9,120 1,121 2,125 5,127 2,140 9,141 5,142 2,156 1,161 1,162 1,163 1,169 14,172 8,173 1,174 1,176 1,178 18,180 1,181 1,182 8,186 2,189 14,191 2,192 1,193 8,197 2,199 9,201 2,203 8,208 2,211 4,213 2,215 7,222 4,225 2,226 6,228 1,229 1,231 1,233 7,235 1,237 2,244 6,248 1,249 5,251 1,252 1,256 6,259 1859,260 22.378,261 22.378,262 22.378,263 22.378,264 22.378,265 20.247,266 27.578,267 12.964,268 22.768,269 18.253,270 18.253,271 18.253,272 18.253,273 18.253,274 14.972,275 36.564,276 6.117,277 18.903,278 4.482,279 2.409,280 1.068,281 0.361,282 0.329,283 0.329,284 4.242,288 1,289 1,290 1013,291 3.24,295 450.846,299 301.161,302 2.086,303 31.15,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 71,315 458,316 4.553,317 3.522,318 6.702,319 4.126,320 3.153,321 4.474,322 1.151,323 10.882,324 3.074,325 4.385,326 3.372,327 6.53,328 4.064,329 3.078,330 4.006,331 0.98,332 10.292,333 3.037,334 3.944,335 3.318,336 6.075,337 3.769,338 2.822,339 3.266,340 0.8,341 8.775,342 2.67,343 3.913,344 3.056,345 5.902,346 3.634,347 2.635,348 3.256,349 0.8,350 8.135,351 2.616,352 3.696,353 2.845,354 5.729,355 3.39,356 2.449,357 2.84,359 7.695,360 2.299,361 3.369,362 2.484,363 5.16,364 3.014,365 2.061,366 2.643,368 6.055,369 1.967,370 3.189,371 2.404,372 4.971,373 2.952,374 1.995,375 2.289,377 5.747,378 1.884,379 3.029,380 1.98,381 4.582,382 2.587,383 1.601,384 2.245,386 4.549,387 1.575,388 2.884,389 1.793,390 4.246,391 2.536,392 1.57,393 1.976,395 3.907,396 1.512,397 2.775,398 1.687,399 4.154,400 2.444,401 1.483,402 1.84,404 3.735,405 1.418,406 2.615,407 1.604,408 4.014,409 2.382,410 1.404,411 1.591,413 3.416,414 1.37,415 2.471,416 1.489,417 3.783,418 2.179,419 1.182,420 1.466,422 2.831,423 1.163,424 2.257,425 1.18,426 3.453,427 2.001,428 1.031,429 1.199,431 2.405,432 0.993,433 2.19,434 0.926,435 3.368,436 1.819,437 0.834,438 1.121,440 2.003,441 0.819,442 1.703,443 0.779,444 3.188,445 1.564,446 0.597,447 0.651,449 1.44,450 0.574,451 15.652,452 0.474,453 0.853,454 0.026,455 39.25,456 1.189,457 18,458 0.545,459 21.25,460 0.644,461 32.629,462 0.989,463 35.948,464 0.571,465 30.13,466 0.913,467 7.639,468 0.231,469 8.352,470 0.253,471 0.097,473 0.371,477 1,479 0.693,480 1.152,481 0.807,482 1.078,483 0.6,484 0.978,485 0.91,486 1.008,487 0.91,488 0.96,489 0.495,490 0.932,491 1.05,492 0.943,493 1.042,494 0.967,495 0.777,496 0.991,497 0.763,498 1.05,499 1.086,500 1.175,501 0.646,502 1.185,503 0.622,504 0.955,505 0.915,506 1.05,507 0.532,508 1.036,509 0.76,510 0.882,511 0.91,512 0.97,513 0.655,514 0.966,515 0.969,516 0.857,517 1.034,518 0.917,519 0.812,520 0.976,521 0.974,522 1.133,523 1.159,524 1.171,525 1.033,526 1.194,527 6.5,528 0.194,529 4.444,530 2.188,531 2.067,532 1.181,533 0.852,534 0.528,535 0.278,536 0.255,537 17175,538 43562,539 2.131,540 47.6,542 21,545 2,547 5,548 2,550 1.748,551 2,552 3.707,553 0.132,559 94.225,560 1.496,561 3.568,562 4.909,563 5.616,564 5.648,565 5.648,566 3.184,567 4.681,568 5.017,569 3.908,570 2063.41,571 8.761,572 31417.2,574 1,577 376.569,578 1.393,579 4.979,580 0.176,581 0.007,582 0.084,583 0.038,584 0.041,585 0.026,586 0.02,587 0.014,588 0.009,589 0.01,590 0.425,591 0.33,592 0.88,593 0.675,594 176.976,595 -0.024,596 -0.067,597 0.056,598 -0.004,599 -0.043,600 0.033,601 -0.04,602 0.018,603 0.016,604 0.049,605 0.094,606 0.045,607 -0.114,608 0.066,609 -0.086,610 0.026,611 -0.018,612 -0.014,613 -0.028,614 -0.131,615 -0.152,616 -0.173,617 -0.007,618 -0.183,619 0.023,620 -0.106,621 0.036,622 -0.067,623 0.024,624 -0.024,625 0.035,626 -0.031,627 0.067,628 -0.01,629 0.007,630 0.025,631 0.029,632 0.021,633 -0.038,634 0.036,635 -0.007,636 -0.006,637 -0.085,638 -0.133,639 -0.184,640 -0.175,641 -0.111,642 -0.194,643 2.052,644 5.659,645 0.788,646 35.071,647 0.998,648 1.128,649 3.694,650 13.646,651 0.659,652 3.638,653 3.989,654 4.29,655 4.564,656 4.844,657 4.934,658 5.075,659 5.159,660 5.283,661 5.313,662 7.985,663 0.623,664 447.6,665 3.638,666 5.198,667 6.066,668 6.956,669 7.838,670 8.73,671 9.617,672 10.511,673 11.4,674 12.293,675 4.8,678 1,681 1,682 1,687 2,688 9,693 5,695 17,701 1,709 1,713 1,714 63,716 18,717 3,718 37,720 67,721 27,722 16,723 7,724 9,725 1,730 5,731 7,736 1,740 3,743 4,745 17,746 10,750 1,755 1,759 1,762 1,764 30,765 6,766 2,767 6,773 3,777 0.6,778 2,793 5,797 2,815 1,818 1,819 3,823 1,825 1,827 33,828 1,833 7,835 1,837 2,838 2,846 1,847 3.2,850 1,851 1,854 16.5,855 11.376,856 7.111,857 3.969,858 3.433,859 1.403,860 1.008,861 6.266,862 11.945,863 3.861,864 4.454,865 5.039,866 5.609,867 6.179,868 6.441,869 6.771,870 7.007,871 7.293,872 7.186,873 1,874 57,875 12.282,877 5.347,878 7.712,879 23.896,881 20.53,883 2.212,884 73,887 1,888 329.591,889 143.481,890 39.146,892 36.145,893 14.96,895 143.481,896 365.736,897 54.106,898 8.825,899 50.981,900 85.286,901 40.849,902 32.829,903 14.96,904 329.591,906 329.591,907 182.627,908 51.105,911 262.153,912 107.543,913 11,915 62.931,916 119.696,919 344.551,920 75.291,921 143.481,924 329.591,925 49.369,926 100.36,928 84.002,929 329.591,930 90.251,931 143.481,933 0.59,934 0.35,935 0.189,936 0.107,937 27,938 12,939 0.075,940 5,941 2,942 1.154,943 4.426,944 312.784,945 0.154,946 26,947 166.465,951 22.183,952 9.321,953 4.574,954 2.039,955 90.251,956 16.877,961 3.896,963 32.897,964 563.322,965 46.5,970 11.517,974 -0.385,975 62.843,976 71.066,977 0.25,978 0.597,979 0.821,980 0.94,981 0.945,982 0.945,983 5.125,984 1.601,985 6.061,986 5.747,987 4.673,988 5.142,989 2.013,990 6.893,991 4.609,992 6.321,993 1.57,994 7.635,995 4.549,996 4.29,997 4.977,998 0.57,999 7.828,1000 4.19,1001 7.63,1002 1.483,1003 9.307,1004 3.907,1005 6.29,1006 7.324,1007 1.984,1008 10.929,1009 6.17,1010 8.97,1011 1.404,1012 11.036,1013 3.735,1014 6.711,1015 7.993,1016 0.479,1017 12.681,1018 6.563,1019 10.344,1020 1.182,1021 12.803,1022 3.416,1023 8.187,1024 9.844,1025 2.074,1026 15.298,1027 8.021,1028 11.74,1029 1.031,1030 14.594,1031 2.831,1032 8.98,1033 10.917,1034 0.346,1035 17.39,1036 8.791,1037 13.156,1038 0.834,1039 16.403,1040 2.405,1041 10.242,1042 12.559,1043 2.218,1044 19.839,1045 10.035,1046 3.153,1047 0.597,1048 18.225,1049 2.003,1050 11.211,1051 13.836,1052 0.237,1053 22.079,1054 10.983,1055 3.078,1056 10.882,1057 20.057,1058 1.44,1059 12.385,1060 15.386,1061 2.397,1062 24.469,1063 12.139,1064 2.822,1065 10.292,1066 21.898,1067 4.474,1068 13.436,1069 16.765,1070 0.158,1071 26.776,1072 13.17,1073 2.635,1074 8.775,1075 23.746,1076 4.006,1077 14.577,1078 18.275,1079 2.602,1080 29.146,1081 14.293,1082 2.449,1083 8.135,1084 25.599,1085 3.266,1086 15.666,1087 19.706,1088 0.104,1089 31.484,1090 15.363,1091 2.061,1092 7.695,1093 27.456,1094 3.256,1095 16.796,1096 21.2,1097 2.826,1098 33.851,1099 16.474,1100 1.995,1101 6.055,1102 29.318,1103 2.84,1104 17.905,1105 22.658,1106 0.068,1107 36.204,1108 17.564,1109 15924,1110 25484,1111 24.967,1112 41.523,1113 56.241,1114 56.995,1115 57.764,1116 55.895,1117 55.791,1118 69.729,1119 7.461,1120 163.735,1121 53.943,1122 5.553,1123 5.522,1124 6.238,1125 5.21,1126 5.153,1127 7.474,1128 2.302,1129 18.09,1130 5.074,1131 15.833,1132 1.52,1133 1.54,1134 1.561,1135 1.511,1136 1.508,1137 1.885,1138 0.202,1139 4.425,1140 1.458,1141 4.11,1142 4.138,1143 4.067,1144 4.052,1145 8.201,1146 4.052,1147 4.012,1148 4.033,1149 3.957,1150 3.944,1151 7.437,1152 3.943,1153 3.829,1154 3.892,1155 3.726,1156 3.659,1157 4.908,1158 3.667,1159 3.582,1160 3.621,1161 3.496,1162 3.416,1163 4.852,1164 3.424,1165 3.481,1166 3.524,1167 3.405,1168 3.363,1169 4.746,1170 3.364,1171 3.368,1172 3.44,1173 3.206,1174 3.218,1175 4.401,1176 3.202,1177 3.271,1178 3.359,1179 3.099,1180 3.106,1181 4.355,1182 3.084,1183 3.224,1184 3.289,1185 3.063,1186 2.996,1187 4.206,1188 3.011,1189 0.123,1190 0.095,1191 0.181,1192 0.112,1193 0.085,1194 4.553,1195 0.121,1196 3.522,1197 0.031,1198 6.702,1199 0.294,1200 4.126,1201 0.083,1202 3.153,1203 4.474,1204 1.151,1205 10.882,1206 3.074,1207 2.074,1208 2.054,1209 2.151,1210 2.151,1211 1.399,1212 2.153,1213 1.985,1214 1.965,1215 2.093,1216 2.083,1217 1.332,1218 2.087,1219 1.793,1220 1.728,1221 1.985,1222 1.982,1223 1.24,1224 1.987,1225 1.533,1226 1.491,1227 1.745,1228 1.739,1229 1.044,1230 1.733,1231 1.459,1232 1.42,1233 1.662,1234 1.618,1235 0.9,1236 1.631,1237 1.381,1238 1.313,1239 1.651,1240 1.57,1241 0.859,1242 1.603,1243 1.3,1244 1.217,1245 1.604,1246 1.512,1247 0.671,1248 1.552,1249 1.14,1250 1.085,1251 1.365,1252 1.436,1253 0.536,1254 1.426,1255 4.317,1257 5.659,1259 7.206,1261 8.845,1263 10.532,1265 2.27,1267 13.659,1269 5.446,1271 6.199,1273 6.095,1275 0.448,1276 4.94,1280 39.252,1281 94.225,1282 224.799,1283 309.284,1284 353.814,1285 355.814,1286 355.814,1287 58.33,1288 8.512,1289 58.8,1290 58.8,1291 30,1292 12.82,1293 4.248,1294 3.392,1295 48.137,1296 161,1297 145,1298 0.145,1299 236.024,1300 414.05,1301 567.658,1302 71261,1303 1.6,1304 22.949,1305 0.695,1306 0.575,1307 22.079,1308 18.967,1309 15.991,1310 0.432,1311 0.316,1312 11.566,1313 15.429,1314 11.311,1315 9.262,1316 15.597,1317 11.709,1318 14.757,1319 0.278,1320 0.173,1321 14.123,1322 9.15,1323 12.647,1324 0.176,1325 0.098,1326 12.311,1327 7.069,1328 10.676,1329 0.112,1330 0.055,1331 10.416,1332 5.272,1333 9.05,1334 0.072,1335 0.031,1336 8.807,1337 3.868,1338 0.234,1339 99.737,1340 0.2,1341 30.97,1342 0.384,1343 180,1344 506.185,1345 195.444,1346 464.187,1347 632.21,1348 436,1349 215,1350 459.642,1351 229.942,1352 460.601,1353 679.32,1354 436,1355 8.155} {0 CHEMBL391272,1 1.496,2 14.515,3 4.062,4 16.496,5 129.703,6 7.105,7 0.459,8 4.236,9 4.359,10 3.768,11 3.789,12 5.272,13 3.758,14 4.82,15 4.997,16 4.153,17 4.216,18 5.845,19 4.167,20 5.13,21 5.342,22 4.238,23 4.423,24 6.084,25 4.336,26 5.231,27 5.463,28 4.129,29 4.452,30 6.112,31 4.313,32 5.284,33 5.567,34 4.029,35 4.378,36 6.059,37 4.215,38 5.17,39 5.448,40 3.967,41 4.25,42 5.972,43 4.114,44 5.064,45 5.31,46 3.944,47 4.223,48 5.966,49 4.091,50 5.033,51 5.286,52 3.807,53 4.206,54 5.833,55 4.039,56 0.029,57 0.968,58 13.68,59 6.105,60 9.75,61 8.056,62 0.24,63 1.62,64 26.643,65 10.303,66 34.701,67 13.943,68 0.401,69 2.108,70 37.965,71 14.261,72 50.46,73 19.305,74 0.35,75 2.204,76 42.263,77 16.602,78 53.607,79 23.029,80 0.341,81 2.19,82 46.616,83 17.296,84 58.125,85 24.891,86 0.432,87 1.949,88 42.066,89 14.439,90 60.669,91 20.727,92 0.676,93 1.756,94 37.154,95 13.102,96 66.478,97 18.552,98 0.222,99 1.764,100 35.015,101 13.796,102 41.446,103 19.503,104 18,105 53,106 0.239,107 0.57,108 0.779,109 0.898,110 0.903,111 0.903,112 3.532,113 0.949,114 -4.92,115 -4.83,116 -4.53,119 42.9,120 1,121 2,125 5,127 2,140 9,141 5,142 2,156 1,161 1,162 1,163 1,169 14,172 8,173 1,174 1,176 1,178 19,180 1,181 1,182 7,186 2,189 15,191 2,192 1,193 7,197 2,199 7,201 2,203 10,208 2,211 4,213 2,215 6,222 3,225 2,226 5,228 1,229 1,231 1,233 6,235 1,237 4,244 7,248 1,249 5,251 1,252 1,256 5,259 1914,260 22.325,261 22.325,262 22.325,263 22.325,264 22.325,265 20.215,266 27.578,267 12.9,268 22.719,269 18.253,270 18.253,271 18.253,272 18.253,273 18.253,274 14.983,275 36.564,276 6.114,277 18.908,278 4.482,279 2.409,280 1.1,281 0.361,282 0.329,283 0.329,284 4.241,288 1,289 1,290 1061,291 3.24,295 467.734,299 311.533,302 2.287,303 31.025,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 71,315 479,316 4.454,317 3.522,318 6.53,319 4.065,320 3.08,321 4.377,322 1.151,323 10.292,324 3.038,325 4.385,326 3.371,327 6.324,328 4.009,329 3.037,330 4.006,331 0.98,332 9.691,333 2.965,334 4,335 3.248,336 6.118,337 3.806,338 2.852,339 3.328,340 0.8,341 8.963,342 2.705,343 3.93,344 3.046,345 5.906,346 3.638,347 2.64,348 3.265,349 0.8,350 8.171,351 2.626,352 3.704,353 2.849,354 5.874,355 3.464,356 2.521,357 2.868,359 8.084,360 2.373,361 3.448,362 2.525,363 5.16,364 3.042,365 2.105,366 2.69,368 6.052,369 1.97,370 3.188,371 2.471,372 4.963,373 2.981,374 2.01,375 2.427,377 5.823,378 1.925,379 3.118,380 1.98,381 4.472,382 2.618,383 1.618,384 2.278,386 4.444,387 1.618,388 2.884,389 1.793,390 4.368,391 2.543,392 1.574,393 1.975,395 4.213,396 1.52,397 2.693,398 1.684,399 4.203,400 2.453,401 1.502,402 1.713,404 3.82,405 1.422,406 2.595,407 1.618,408 4.118,409 2.373,410 1.409,411 1.574,413 3.628,414 1.354,415 2.465,416 1.554,417 3.783,418 2.178,419 1.182,420 1.461,422 2.831,423 1.162,424 2.212,425 1.173,426 3.451,427 1.986,428 1.017,429 1.17,431 2.393,432 0.979,433 2.186,434 0.82,435 3.279,436 1.718,437 0.726,438 1.054,440 1.73,441 0.718,442 1.71,443 0.771,444 3.195,445 1.579,446 0.611,447 0.663,449 1.473,450 0.588,451 15.652,452 0.474,453 0.87,454 0.026,455 39.25,456 1.189,457 18,458 0.545,459 21.25,460 0.644,461 32.313,462 0.979,463 35.948,464 0.571,465 29.863,466 0.905,467 7.623,468 0.231,469 8.351,470 0.253,471 0.097,473 0.371,477 1,479 0.693,480 1.152,481 0.807,482 1.078,483 0.601,484 0.978,485 0.91,486 1.008,487 0.91,488 0.96,489 0.491,490 0.932,491 1.058,492 0.936,493 1.066,494 0.977,495 0.782,496 1.008,497 0.746,498 1.056,499 1.1,500 1.203,501 0.655,502 1.213,503 0.613,504 0.949,505 0.868,506 1.02,507 0.521,508 0.995,509 0.899,510 0.857,511 0.921,512 0.896,513 0.729,514 0.904,515 0.823,516 0.742,517 1.04,518 0.924,519 0.665,520 1.005,521 0.603,522 1.078,523 1.049,524 1.217,525 0.597,526 1.215,527 7,528 0.182,529 4.444,530 1.813,531 2.187,532 1.174,533 0.709,534 0.516,535 0.352,536 0.269,537 17775,538 45146,539 2.131,540 47.6,542 21,545 2,547 5,548 2,550 1.747,551 2,552 3.78,553 0.132,559 94.225,560 1.496,561 3.568,562 4.878,563 5.616,564 5.648,565 5.648,566 3.242,567 4.802,568 5.016,569 3.973,570 2097.51,571 8.752,572 32347.1,574 1,577 376.569,578 1.393,579 4.979,580 0.189,581 0.006,582 0.084,583 0.032,584 0.047,585 0.028,586 0.018,587 0.013,588 0.011,589 0.01,590 0.438,591 0.33,592 0.88,593 0.675,594 177.938,595 -0.024,596 -0.067,597 0.056,598 -0.004,599 -0.044,600 0.033,601 -0.04,602 0.018,603 0.016,604 0.049,605 0.098,606 0.045,607 -0.122,608 0.073,609 -0.111,610 0.016,611 -0.022,612 -0.031,613 -0.022,614 -0.149,615 -0.166,616 -0.199,617 -0.013,618 -0.207,619 0.043,620 -0.117,621 0.092,622 -0.044,623 0.048,624 0.017,625 -0.042,626 0.007,627 0.068,628 0.051,629 -0.03,630 0.076,631 0.085,632 0.09,633 -0.067,634 0.036,635 0.011,636 -0.031,637 -0.002,638 -0.221,639 -0.12,640 -0.216,641 -0.025,642 -0.197,643 2.05,644 5.481,645 0.788,646 37.152,647 0.998,648 1.128,649 3.694,650 13.646,651 0.659,652 3.638,653 3.989,654 4.277,655 4.533,656 4.82,657 4.905,658 5.05,659 5.147,660 5.288,661 5.333,662 8.271,663 0.623,664 447.6,665 3.638,666 5.198,667 6.061,668 6.946,669 7.823,670 8.709,671 9.59,672 10.476,673 11.36,674 12.246,675 4.8,678 1,681 1,682 1,687 2,688 9,693 5,695 17,701 1,709 1,713 1,714 63,716 18,717 3,718 37,720 67,721 27,722 16,723 7,724 9,725 1,730 5,731 7,736 1,740 3,743 4,745 17,746 10,750 1,755 1,759 1,762 1,764 30,765 6,766 2,767 6,773 3,777 0.6,778 2,793 5,797 2,815 1,818 1,819 3,823 1,825 1,827 33,828 1,833 7,835 1,837 2,838 2,846 1,847 3.2,850 1,851 1,854 16.5,855 11.376,856 7.083,857 3.962,858 3.382,859 1.397,860 1.008,861 6.266,862 11.894,863 3.861,864 4.454,865 5.024,866 5.58,867 6.166,868 6.431,869 6.781,870 7.04,871 7.336,872 7.223,873 0.9,874 56,875 12.278,877 5.343,878 7.712,879 23.896,881 20.525,883 2.212,884 73,887 1,888 329.591,889 143.481,890 39.146,892 36.145,893 14.96,895 143.481,896 365.736,897 54.106,898 8.825,899 50.981,900 85.286,901 40.849,902 32.829,903 14.96,904 329.591,906 329.591,907 182.627,908 51.105,911 262.153,912 107.543,913 11,915 62.931,916 119.696,919 344.551,920 75.291,921 143.481,924 329.591,925 49.369,926 100.36,928 84.002,929 329.591,930 90.251,931 143.481,933 0.592,934 0.347,935 0.182,936 0.104,937 27,938 12,939 0.075,940 5,941 2,942 1.154,943 4.478,944 308.97,945 0.154,946 26,947 164.465,951 22.183,952 9.321,953 4.709,954 1.998,955 90.251,956 16.948,961 3.922,963 32.897,964 563.322,965 46.5,970 11.509,974 -0.383,975 62.843,976 71.066,977 0.25,978 0.597,979 0.816,980 0.94,981 0.945,982 0.945,983 5.125,984 1.618,985 6.057,986 5.823,987 4.673,988 5.142,989 2.013,990 6.874,991 4.609,992 6.321,993 1.574,994 7.623,995 4.444,996 4.29,997 4.977,998 0.57,999 7.769,1000 4.19,1001 7.628,1002 1.502,1003 9.285,1004 4.213,1005 6.282,1006 7.315,1007 1.984,1008 10.845,1009 6.163,1010 8.964,1011 1.409,1012 11.001,1013 3.82,1014 6.686,1015 7.958,1016 0.479,1017 12.53,1018 6.537,1019 10.331,1020 1.182,1021 12.752,1022 3.628,1023 8.158,1024 9.806,1025 2.074,1026 15.113,1027 7.991,1028 11.72,1029 1.017,1030 14.525,1031 2.831,1032 8.925,1033 10.841,1034 0.346,1035 17.13,1036 8.735,1037 13.125,1038 0.726,1039 16.314,1040 2.393,1041 10.181,1042 12.479,1043 2.218,1044 19.531,1045 9.972,1046 3.08,1047 0.611,1048 18.114,1049 1.73,1050 11.122,1051 13.716,1052 0.237,1053 21.697,1054 10.893,1055 3.037,1056 10.292,1057 19.924,1058 1.473,1059 12.285,1060 15.256,1061 2.397,1062 24.03,1063 12.038,1064 2.852,1065 9.691,1066 21.74,1067 4.377,1068 13.31,1069 16.599,1070 0.158,1071 26.264,1072 13.044,1073 2.64,1074 8.963,1075 23.562,1076 4.006,1077 14.435,1078 18.094,1079 2.602,1080 28.573,1081 14.152,1082 2.521,1083 8.171,1084 25.388,1085 3.328,1086 15.499,1087 19.494,1088 0.104,1089 30.842,1090 15.199,1091 2.105,1092 8.084,1093 27.219,1094 3.265,1095 16.61,1096 20.969,1097 2.826,1098 33.144,1099 16.292,1100 2.01,1101 6.052,1102 29.052,1103 2.868,1104 17.695,1105 22.398,1106 0.068,1107 35.431,1108 17.36,1109 16437,1110 26327,1111 24.967,1112 41.523,1113 56.268,1114 57.087,1115 57.536,1116 55.893,1117 55.809,1118 69.744,1119 7.461,1120 163.311,1121 53.96,1122 5.454,1123 5.522,1124 6.066,1125 5.15,1126 5.08,1127 7.377,1128 2.302,1129 17.153,1130 5.038,1131 15.932,1132 1.521,1133 1.543,1134 1.555,1135 1.511,1136 1.508,1137 1.885,1138 0.202,1139 4.414,1140 1.458,1141 4.105,1142 4.132,1143 4.059,1144 4.048,1145 8.201,1146 4.047,1147 4.012,1148 4.034,1149 3.957,1150 3.944,1151 7.437,1152 3.944,1153 3.841,1154 3.904,1155 3.742,1156 3.672,1157 4.908,1158 3.68,1159 3.588,1160 3.628,1161 3.503,1162 3.426,1163 4.854,1164 3.434,1165 3.483,1166 3.529,1167 3.407,1168 3.349,1169 4.746,1170 3.354,1171 3.355,1172 3.427,1173 3.187,1174 3.211,1175 4.41,1176 3.193,1177 3.255,1178 3.342,1179 3.099,1180 3.091,1181 4.369,1182 3.067,1183 3.222,1184 3.287,1185 3.041,1186 2.987,1187 4.168,1188 3.005,1189 0.12,1190 0.095,1191 0.176,1192 0.11,1193 0.083,1194 4.454,1195 0.118,1196 3.522,1197 0.031,1198 6.53,1199 0.278,1200 4.065,1201 0.082,1202 3.08,1203 4.377,1204 1.151,1205 10.292,1206 3.038,1207 2.071,1208 2.052,1209 2.15,1210 2.146,1211 1.396,1212 2.149,1213 1.986,1214 1.965,1215 2.094,1216 2.084,1217 1.326,1218 2.088,1219 1.803,1220 1.739,1221 1.992,1222 1.992,1223 1.246,1224 1.996,1225 1.541,1226 1.499,1227 1.748,1228 1.742,1229 1.047,1230 1.737,1231 1.451,1232 1.41,1233 1.662,1234 1.629,1235 0.902,1236 1.638,1237 1.374,1238 1.306,1239 1.658,1240 1.563,1241 0.859,1242 1.601,1243 1.285,1244 1.203,1245 1.565,1246 1.486,1247 0.681,1248 1.52,1249 1.134,1250 1.079,1251 1.361,1252 1.435,1253 0.504,1254 1.424,1255 4.317,1257 5.659,1259 7.201,1261 8.833,1263 10.509,1265 2.275,1267 13.481,1269 5.444,1271 6.29,1273 6.091,1275 0.477,1276 4.948,1280 39.252,1281 94.225,1282 224.799,1283 307.284,1284 353.814,1285 355.814,1286 355.814,1287 57.878,1288 8.512,1289 58.8,1290 58.8,1291 30,1292 12.778,1293 4.248,1294 3.392,1295 48.204,1296 166,1297 160,1298 0.14,1299 236.024,1300 414.05,1301 567.658,1302 71471,1303 1.6,1304 22.949,1305 0.695,1306 0.575,1307 22.079,1308 18.967,1309 15.974,1310 0.432,1311 0.316,1312 11.56,1313 15.41,1314 11.302,1315 9.255,1316 15.581,1317 11.703,1318 14.831,1319 0.28,1320 0.173,1321 14.198,1322 9.183,1323 12.658,1324 0.178,1325 0.099,1326 12.323,1327 7.059,1328 10.47,1329 0.114,1330 0.056,1331 10.22,1332 5.175,1333 8.963,1334 0.073,1335 0.031,1336 8.66,1337 3.806,1338 0.227,1339 99.636,1340 0.2,1341 31.169,1342 0.366,1343 180,1344 506.185,1345 195.444,1346 464.405,1347 631.65,1348 436,1349 214,1350 458.642,1351 228.776,1352 459.947,1353 676.41,1354 435,1355 7.854} {0 CHEMBL391273,1 1.456,2 14.606,3 3.357,4 11.272,5 130.806,6 7.223,7 0.459,8 4.204,9 4.324,10 3.754,11 3.778,12 5.269,13 3.748,14 4.775,15 4.948,16 4.116,17 4.203,18 5.776,19 4.151,20 5.078,21 5.286,22 4.215,23 4.41,24 6.02,25 4.32,26 5.171,27 5.396,28 4.136,29 4.432,30 6.077,31 4.303,32 5.216,33 5.482,34 4.042,35 4.378,36 6.016,37 4.227,38 5.143,39 5.413,40 3.944,41 4.253,42 5.964,43 4.109,44 5.021,45 5.284,46 3.849,47 4.132,48 5.935,49 3.993,50 4.884,51 5.147,52 3.654,53 4.044,54 5.694,55 3.882,56 0.039,57 0.88,58 12.753,59 5.63,60 12.555,61 7.487,62 0.249,63 1.477,64 24.769,65 9.614,66 29.221,67 13.027,68 0.326,69 1.915,70 35.025,71 13.605,72 41.896,73 18.607,74 0.322,75 2.047,76 38.952,77 15.417,78 50.161,79 21.483,80 0.3,81 2.076,82 42.531,83 16.206,84 48.522,85 23.226,86 0.359,87 1.913,88 40.245,89 14.397,90 55.472,91 20.61,92 0.602,93 1.692,94 35.872,95 12.385,96 67.19,97 17.686,98 0.241,99 1.492,100 30.429,101 11.495,102 40.795,103 16.444,104 14,105 52,106 0.233,107 0.57,108 0.749,109 0.864,110 0.869,111 0.869,112 3.531,113 0.938,114 -3.98,115 -3.93,116 -3.73,119 44.3,121 2,125 6,127 1,140 9,141 6,142 1,156 2,161 1,162 1,163 1,169 16,172 8,173 1,174 1,176 1,178 20,180 1,181 1,182 9,186 2,189 16,191 2,192 1,193 10,197 2,199 9,201 2,203 11,208 2,211 3,213 2,215 7,225 3,226 7,228 1,229 1,231 1,233 2,235 1,237 3,244 3,248 1,249 5,251 1,252 1,256 5,259 1859,260 22.748,261 22.748,262 22.748,263 22.748,264 22.748,265 20.578,266 27.693,267 13.273,268 23.092,269 18.202,270 18.202,271 18.202,272 18.202,273 18.202,274 14.733,275 34.71,276 6.188,277 18.753,278 4.475,279 2.363,280 1.242,281 0.525,282 0.492,283 0.492,284 4.244,289 1,290 1065,291 3.317,295 453.658,299 303.776,302 2.151,303 26.111,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70,315 482,316 4.558,317 4.058,318 6.696,319 4.12,320 3.142,321 4.48,322 2.035,323 10.861,324 3.08,325 4.384,326 3.522,327 6.529,328 4.063,329 3.077,330 4.006,331 1.151,332 10.291,333 3.037,334 3.971,335 3.368,336 5.903,337 3.65,338 2.673,339 3.369,340 0.98,341 8.142,342 2.634,343 3.932,344 3.274,345 5.823,346 3.603,347 2.628,348 3.265,349 0.8,350 8.077,351 2.53,352 3.662,353 2.861,354 5.358,355 3.361,356 2.407,357 2.837,358 0.8,359 6.968,360 2.294,361 3.424,362 2.609,363 5.2,364 3.094,365 2.125,366 2.513,368 6.337,369 2.052,370 3.168,371 2.463,372 5.127,373 2.945,374 1.978,375 2.305,377 5.989,378 1.903,379 3.096,380 2.2,381 4.589,382 2.588,383 1.6,384 2.242,386 4.526,387 1.58,388 2.91,389 1.979,390 4.189,391 2.53,392 1.568,393 1.973,395 3.822,396 1.501,397 2.88,398 1.792,399 4.038,400 2.414,401 1.433,402 1.84,404 3.485,405 1.401,406 2.766,407 1.654,408 3.783,409 2.18,410 1.182,411 1.568,413 2.832,414 1.165,415 2.597,416 1.479,417 3.451,418 2.004,419 1.034,420 1.284,422 2.408,423 0.995,424 2.261,425 1.182,426 3.414,427 1.967,428 1,429 1.168,431 2.275,432 0.965,433 2.187,434 1.146,435 3.366,436 1.844,437 0.858,438 1,440 2.014,441 0.845,442 2,443 0.903,444 3.148,445 1.534,446 0.57,447 0.872,449 1.346,450 0.546,451 15.767,452 0.478,453 0.725,454 0.022,455 42.25,456 1.28,457 21,458 0.636,459 21.25,460 0.644,461 29.637,462 0.898,463 34.633,464 0.568,465 31.658,466 0.959,467 8.171,468 0.248,469 7.948,470 0.241,471 0.072,473 0.336,479 0.799,480 1.218,481 0.807,482 1.038,483 0.583,484 0.938,485 1.105,486 0.991,487 0.958,488 0.923,489 0.459,490 0.916,491 1.087,492 0.961,493 1.029,494 0.983,495 0.652,496 0.997,497 0.861,498 1.134,499 1.1,500 1.177,501 0.761,502 1.174,503 0.729,504 1.039,505 0.946,506 1.052,507 0.583,508 1.031,509 1.013,510 1.03,511 0.991,512 1.004,513 0.77,514 0.997,515 1.016,516 0.888,517 1.041,518 0.918,519 0.878,520 0.973,521 0.822,522 1.076,523 1.06,524 1.1,525 0.808,526 1.11,527 6,528 0.174,529 4,530 1.875,531 1.916,532 1.076,533 0.687,534 0.427,535 0.2,536 0.249,537 17779,538 44798,539 2.15,540 45.9,542 22,545 2,547 2,548 2,550 1.746,551 2.041,552 3.776,553 0.132,559 88.787,560 1.456,561 3.568,562 4.689,563 5.406,564 5.439,565 5.439,566 3.187,567 4.658,568 5.017,569 3.971,570 2096.8,571 8.751,572 32535.8,574 1,577 361.775,578 1.301,579 4.989,580 0.162,581 0.006,582 0.077,583 0.033,584 0.039,585 0.024,586 0.018,587 0.012,588 0.007,589 0.01,590 0.389,591 0.33,592 0.88,593 0.712,594 178.162,595 -0.026,596 -0.073,597 0.057,598 -0.004,599 0.003,600 0.032,601 -0.071,602 0.102,603 -0.025,604 0.071,605 0.084,606 0.039,607 -0.106,608 0.061,609 -0.074,610 0.015,611 0.019,612 -0.019,613 -0.023,614 -0.156,615 -0.146,616 -0.17,617 -0.022,618 -0.175,619 0.019,620 -0.106,621 0.035,622 -0.055,623 0.022,624 -0.016,625 -0.043,626 -0.093,627 0.019,628 -0.03,629 -0.029,630 -0.004,631 0.127,632 0.069,633 -0.017,634 0.041,635 0.033,637 -0.045,638 -0.135,639 -0.08,640 -0.107,641 -0.064,642 -0.101,643 2.046,644 4.498,645 0.788,646 35.939,647 0.995,648 1.121,649 2.749,650 7.555,651 0.673,652 3.638,653 3.97,654 4.277,655 4.543,656 4.828,657 4.913,658 5.063,659 5.136,660 5.247,661 5.273,662 8.319,663 0.637,664 440.59,665 3.638,666 5.187,667 6.052,668 6.934,669 7.814,670 8.701,671 9.585,672 10.474,673 11.36,674 12.249,675 6.6,678 1,681 1,682 1,684 1,687 2,688 9,693 5,695 17,697 1,701 1,709 1,714 61,716 19,717 3,718 37,720 65,721 27,722 16,723 7,724 9,725 1,730 5,731 7,740 2,743 3,744 1,745 17,746 9,750 1,755 1,759 1,764 28,765 6,766 2,767 6,773 4,777 0.6,778 2,793 5,797 2,815 1,818 1,819 3,827 33,828 1,833 8,835 1,837 1,838 2,840 1,843 1,845 1,847 3.3,850 1,851 1,854 16.167,855 10.85,856 7.25,857 3.829,858 3.66,859 1.427,860 1.013,861 6.219,862 12.225,863 3.902,864 4.466,865 5.077,866 5.643,867 6.229,868 6.538,869 6.926,870 7.144,871 7.437,872 7.373,873 0.9,874 56,875 12.218,877 5.26,878 7.672,879 23.826,881 20.316,883 2.172,884 71.667,887 1,888 306.049,889 147.428,890 70.205,892 36.145,895 147.428,896 342.193,897 70.205,899 53.087,900 85.286,901 57.451,902 57.953,904 306.049,906 306.049,907 217.633,908 36.145,911 258.964,912 72.229,913 11,915 87.271,916 130.362,919 306.049,920 106.35,921 147.428,924 306.049,925 45.54,926 91.535,927 16.602,928 100.101,929 306.049,930 106.35,931 147.428,933 0.582,934 0.349,935 0.188,936 0.107,937 26,938 11,939 0.077,940 5,941 2,942 1.154,943 4.496,944 308.105,945 0.154,946 26,947 162.465,951 21.764,952 9.429,953 4.549,954 2.314,955 106.35,956 18.002,961 4.885,963 32.897,964 559.826,965 48.5,970 11.498,974 -0.379,975 60.665,976 68.394,977 0.245,978 0.602,979 0.791,980 0.912,981 0.917,982 0.917,983 5.16,984 1.6,985 6.033,986 5.989,987 4.654,988 5.153,989 2.758,990 6.851,991 4.601,992 6.357,993 1.568,994 7.595,995 4.526,996 4.205,997 4.934,998 0.57,999 7.769,1000 4.134,1001 7.661,1002 1.433,1003 9.257,1004 3.822,1005 6.256,1006 7.341,1007 3.727,1008 10.864,1009 6.158,1010 8.998,1011 1.182,1012 10.978,1013 3.485,1014 6.635,1015 7.992,1016 0.479,1017 12.614,1018 6.525,1019 10.369,1020 1.034,1021 12.737,1022 2.832,1023 8.135,1024 9.864,1025 5.01,1026 15.225,1027 8.002,1028 11.764,1029 1,1030 14.522,1031 2.408,1032 8.901,1033 10.931,1034 0.346,1035 17.322,1036 8.758,1037 13.178,1038 0.858,1039 16.326,1040 2.275,1041 10.174,1042 12.58,1043 6.391,1044 19.77,1045 10.011,1046 3.142,1047 0.57,1048 18.145,1049 2.014,1050 11.127,1051 13.855,1052 0.237,1053 22.017,1054 10.953,1055 3.077,1056 10.861,1057 19.975,1058 1.346,1059 12.306,1060 15.407,1061 7.801,1062 24.408,1063 12.114,1064 2.673,1065 10.291,1066 21.814,1067 4.48,1068 13.349,1069 16.785,1070 0.158,1071 26.721,1072 13.145,1073 2.628,1074 8.142,1075 23.661,1076 4.006,1077 14.491,1078 18.296,1079 9.219,1080 29.095,1081 14.271,1082 2.407,1083 8.077,1084 25.514,1085 3.369,1086 15.578,1087 19.727,1088 0.104,1089 31.437,1090 15.343,1091 2.125,1092 6.968,1093 27.373,1094 3.265,1095 16.708,1096 21.221,1097 10.638,1098 33.805,1099 16.458,1100 1.978,1101 6.337,1102 29.236,1103 2.837,1104 17.816,1105 22.68,1106 0.068,1107 36.162,1108 17.551,1109 16487,1110 26276,1111 25.255,1112 41.069,1113 56.964,1114 59.192,1115 56.956,1116 55.448,1117 55.435,1118 70.64,1119 11.531,1120 160.152,1121 53.898,1122 5.558,1123 6.058,1124 6.246,1125 5.205,1126 5.142,1127 7.48,1128 4.069,1129 18.04,1130 5.08,1131 14.154,1132 1.54,1133 1.6,1134 1.539,1135 1.499,1136 1.498,1137 1.909,1138 0.312,1139 4.328,1140 1.457,1141 4.112,1142 4.138,1143 4.069,1144 4.061,1145 7.437,1146 4.06,1147 4.012,1148 4.033,1149 3.957,1150 3.944,1151 6.82,1152 3.943,1153 3.805,1154 3.872,1155 3.699,1156 3.626,1157 4.909,1158 3.635,1159 3.586,1160 3.625,1161 3.508,1162 3.455,1163 4.871,1164 3.458,1165 3.517,1166 3.557,1167 3.446,1168 3.377,1169 4.746,1170 3.386,1171 3.366,1172 3.439,1173 3.207,1174 3.213,1175 4.396,1176 3.199,1177 3.224,1178 3.289,1179 3.099,1180 3.009,1181 4.348,1182 3.018,1183 3.111,1184 3.206,1185 3.027,1186 2.966,1187 4.241,1188 2.979,1189 0.123,1190 0.11,1191 0.181,1192 0.111,1193 0.085,1194 4.558,1195 0.121,1196 4.058,1197 0.055,1198 6.696,1199 0.294,1200 4.12,1201 0.083,1202 3.142,1203 4.48,1204 2.035,1205 10.861,1206 3.08,1207 2.082,1208 2.063,1209 2.157,1210 2.15,1211 1.388,1212 2.154,1213 1.985,1214 1.965,1215 2.093,1216 2.083,1217 1.331,1218 2.087,1219 1.765,1220 1.698,1221 1.962,1222 1.965,1223 1.231,1224 1.97,1225 1.547,1226 1.509,1227 1.738,1228 1.738,1229 1.038,1230 1.732,1231 1.489,1232 1.45,1233 1.663,1234 1.638,1235 0.859,1236 1.646,1237 1.376,1238 1.308,1239 1.639,1240 1.567,1241 0.825,1242 1.596,1243 1.153,1244 1.086,1245 1.513,1246 1.436,1247 0.694,1248 1.429,1249 1.141,1250 1.064,1251 1.363,1252 1.376,1253 0.505,1254 1.426,1255 4.317,1257 5.645,1259 7.183,1261 8.814,1263 10.494,1269 5.441,1271 7.394,1273 6.077,1275 0.07,1276 4.952,1278 9.184,1279 2.228,1280 38.837,1281 88.787,1282 217.62,1283 286.026,1284 329.775,1285 331.775,1286 331.775,1287 52.835,1288 8.565,1289 82.59,1290 82.59,1291 30,1292 12.779,1293 4.322,1294 3.644,1295 48.232,1296 169,1297 158,1298 0.139,1299 235.765,1300 413.7,1301 567.027,1302 77344,1304 22.786,1305 0.69,1306 0.566,1307 22.786,1308 18.666,1309 16.119,1310 0.436,1311 0.313,1312 11.439,1313 15.627,1314 11.215,1315 9.177,1316 16.119,1317 11.566,1318 14.396,1319 0.277,1320 0.17,1321 14.396,1322 8.829,1323 12.612,1324 0.178,1325 0.097,1326 12.612,1327 6.872,1328 10.517,1329 0.113,1330 0.054,1331 10.517,1332 5.053,1333 9.019,1334 0.073,1335 0.03,1336 9.019,1337 3.773,1338 0.226,1339 100.026,1340 0.199,1341 31.17,1342 0.362,1343 178,1344 457.719,1345 189.974,1346 449.415,1347 617.01,1348 422,1349 212,1350 449.365,1351 224.365,1352 459.185,1353 672.86,1354 434,1355 9} {0 CHEMBL391661,1 1.667,2 15,3 4.952,4 24.521,5 128.597,6 7.935,7 0.447,8 4.22,9 4.327,10 3.843,11 3.769,12 5.287,13 3.753,14 4.802,15 4.965,16 4.238,17 4.183,18 5.86,19 4.149,20 5.093,21 5.289,22 4.31,23 4.35,24 6.147,25 4.28,26 5.144,27 5.376,28 4.235,29 4.32,30 6.131,31 4.209,32 5.102,33 5.355,34 4.131,35 4.242,36 6.023,37 4.124,38 5.016,39 5.247,40 4.069,41 4.151,42 6.031,43 4.047,44 4.937,45 5.163,46 3.937,47 4.073,48 6.016,49 3.961,50 4.859,51 5.094,52 3.896,53 4.053,54 5.708,55 3.938,56 0.064,57 0.925,58 11.573,59 5.829,60 7.771,61 7.185,62 0.33,63 1.533,64 24.689,65 9.983,66 30.004,67 12.626,68 0.734,69 1.947,70 37.876,71 13.393,72 68.01,73 17.063,74 0.763,75 1.977,76 41.731,77 15.299,78 76.979,79 20.188,80 0.606,81 1.882,82 40.962,83 14.584,84 64.469,85 19.473,86 0.678,87 1.822,88 40.299,89 13.191,90 81.089,91 16.262,92 0.885,93 1.611,94 39.303,95 11.581,96 104.282,97 14.857,98 0.44,99 1.419,100 30.384,101 11.086,102 40.88,103 14.86,104 17,105 54,106 0.268,107 0.616,108 0.812,109 0.867,110 0.867,111 0.867,112 3.56,113 0.947,114 -4.42,115 -4.35,116 -4.1,119 42.6,120 1,121 3,122 1,125 5,140 6,141 2,142 5,144 2,156 1,169 7,172 9,174 1,176 1,178 13,181 2,182 4,184 1,186 2,189 8,192 1,193 8,197 1,199 8,203 8,208 1,211 3,215 6,220 2,222 3,225 1,226 8,233 4,237 3,240 1,244 4,248 1,249 4,256 9,259 2040,260 22.927,261 22.927,262 22.927,263 22.927,264 22.927,265 20.659,266 28.699,267 13.392,268 23.565,269 18.797,270 18.797,271 18.797,272 18.797,273 18.797,274 15.248,275 32.871,276 6.45,277 19.875,278 4.264,279 2.102,280 0.882,281 0.537,282 0.537,283 0.537,284 4.269,285 1,289 1,290 1130,291 3.162,295 503.892,299 336.334,302 2.294,303 39.71,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 74.333,315 510,316 4.548,317 3.657,318 6.542,319 4.057,320 3.092,321 4.495,322 2.03,323 10.363,324 2.981,325 4.4,326 3.27,327 6.337,328 4.015,329 3.052,330 4.073,331 0.892,332 9.743,333 2.936,334 3.865,335 3.266,336 5.868,337 3.659,338 2.693,339 3.23,340 0.86,341 8.171,342 2.603,343 3.754,344 2.896,345 5.459,346 3.457,347 2.51,348 3.18,349 0.8,350 7.231,351 2.376,352 3.623,353 2.789,354 5.338,355 3.311,356 2.367,357 2.89,358 0.141,359 6.777,360 2.228,361 3.505,362 2.725,363 5.111,364 3.148,365 2.183,366 2.684,368 6.276,369 2.104,370 3.442,371 2.6,372 5.02,373 3.018,374 2.116,375 2.601,377 5.962,378 1.951,379 3.254,380 2.367,381 4.952,382 2.982,383 2.008,384 2.542,386 5.753,387 1.839,388 3.173,389 2.124,390 4.819,391 2.804,392 1.852,393 2.284,395 5.294,396 1.716,397 3.009,398 2.077,399 4.603,400 2.652,401 1.71,402 2.096,404 4.845,405 1.601,406 2.624,407 1.681,408 3.937,409 2.241,410 1.319,411 1.663,413 3.234,414 1.194,415 2.205,416 1.551,417 3.812,418 1.984,419 1.073,420 1.178,422 2.79,423 0.983,424 2.122,425 1.182,426 3.414,427 1.978,428 1,429 1.084,431 2.275,432 0.955,433 2,434 1.156,435 3.402,436 1.886,437 0.951,438 1,440 2.247,441 0.874,442 1.507,443 1.077,444 3.038,445 1.259,446 0.315,447 0.351,449 0.788,450 0.293,451 16.2,452 0.476,453 0.903,454 0.027,455 41.5,456 1.221,457 19,458 0.559,459 22.5,460 0.662,461 33.195,462 0.976,463 37.2,464 0.61,465 30.671,466 0.902,467 7.914,468 0.233,469 8.527,470 0.251,471 0.113,473 0.364,477 1,479 0.684,480 1.196,481 0.637,482 1.058,483 0.532,484 0.947,485 0.88,486 1.074,487 0.735,488 0.95,489 0.554,490 0.911,491 1.003,492 0.983,493 0.994,494 0.981,495 0.899,496 1.015,497 0.71,498 1.048,499 0.794,500 1.073,501 0.725,502 1.063,503 0.827,504 0.952,505 0.765,506 0.91,507 0.787,508 0.923,509 1.392,510 1.226,511 1.199,512 1.046,513 1.495,514 1.053,515 1.171,516 0.95,517 1.409,518 1.095,519 1.148,520 1.13,521 0.781,522 0.857,523 0.828,524 0.95,525 0.601,526 1.01,527 8,528 0.194,529 3.556,530 2.125,531 2.378,532 1.035,533 0.745,534 0.451,535 0.287,536 0.217,537 20392,538 58313,539 2.127,540 44.3,541 3,542 16,545 1,546 3,547 4,550 1.752,551 2,552 3.81,553 -0.363,559 101.672,560 1.667,561 3.829,562 5.049,563 5.394,564 5.394,565 5.394,566 3.204,567 4.771,568 5.064,569 4.045,570 2269.37,571 8.831,572 37232,577 361.775,578 1.379,579 5.023,580 0.211,581 0.008,582 0.066,583 0.039,584 0.051,585 0.024,586 0.019,587 0.013,588 0.008,589 0.007,590 0.445,591 0.17,592 0.75,593 0.513,594 186.899,595 -0.029,596 -0.122,597 0.038,598 -0.051,599 -0.013,600 0.006,601 -0.047,602 -0.067,603 0.043,604 0.016,605 0.06,606 0.035,607 -0.04,608 0.016,609 -0.099,610 -0.02,611 -0.022,612 -0.063,613 0.145,614 -0.069,615 0.077,616 -0.085,617 0.083,618 -0.053,619 0.022,620 -0.024,621 0.135,622 0.067,623 0.021,624 0.093,625 -0.183,626 -0.066,627 -0.114,628 -0.041,629 -0.175,630 -0.068,631 -0.046,632 0.103,633 -0.262,634 -0.108,635 -0.016,636 -0.16,637 -0.043,638 -0.017,639 0.013,640 0.006,641 -0.03,642 -0.014,643 1.941,644 6.562,645 0.765,646 38.588,647 1.01,648 1.128,649 3.19,650 10.176,651 0.673,652 3.664,653 4.007,654 4.263,655 4.543,656 4.828,657 4.868,658 4.92,659 5.063,660 5.106,661 5.1,662 8.895,663 0.644,664 484.01,665 3.664,666 5.22,667 6.071,668 6.954,669 7.82,670 8.704,671 9.575,672 10.46,673 11.334,674 12.219,675 4.9,678 1,682 1,685 1,687 2,688 6,689 1,693 7,695 17,712 2,713 2,714 61,716 18,717 2,718 38,720 65,721 26,722 15,723 8,724 4,730 5,731 7,732 1,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,762 1,764 27,765 7,766 1,767 8,768 1,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,824 1,825 1,827 34,833 8,834 1,835 2,837 1,838 1,846 2,847 4.9,850 1,852 2,854 17,855 11.269,856 7.278,857 3.833,858 3.459,859 1.407,860 0.998,861 6.913,862 11.961,863 3.882,864 4.489,865 5.035,866 5.624,867 6.21,868 6.466,869 6.699,870 7.034,871 7.22,872 7.006,873 0.9,874 55,875 12.667,877 5.529,878 7.783,879 24.304,881 20.567,883 2.283,884 77.611,888 306.049,889 130.017,890 37.921,891 39.149,892 47.145,893 14.96,895 130.017,896 392.342,897 52.881,898 8.825,899 41.116,900 56.857,901 46.635,902 61.649,903 14.96,904 306.049,905 39.149,906 306.049,907 167.938,908 62.105,909 39.149,911 273.924,912 94.229,915 57.967,916 93.186,917 55.934,919 321.009,920 85.065,921 169.166,924 306.049,925 64.335,926 68.807,927 18.011,928 118.039,929 306.049,930 100.025,931 169.166,933 0.589,934 0.336,935 0.184,936 0.11,937 27,938 12,939 0.092,940 6,941 2,942 1.154,943 4.633,944 314.111,945 0.154,946 26,947 166.219,951 23.344,952 10.068,953 5.482,954 1.797,955 100.025,956 10.786,957 4.542,961 3.616,963 18.011,964 575.24,965 47.5,970 11.564,974 -0.21,975 61.611,976 68.804,977 0.281,978 0.646,979 0.851,980 0.909,981 0.909,982 0.909,983 5.143,984 2.008,985 6.061,986 5.962,987 4.691,988 5.176,989 2.496,990 6.858,991 4.587,992 6.345,993 1.852,994 7.609,995 5.753,996 4.29,997 5.075,998 1.668,999 7.678,1000 4.131,1001 7.654,1002 1.71,1003 9.249,1004 5.294,1005 6.279,1006 7.374,1007 3.324,1008 10.763,1009 6.094,1010 8.992,1011 1.319,1012 10.941,1013 4.845,1014 6.635,1015 8.067,1016 3.213,1017 12.383,1018 6.405,1019 10.361,1020 1.073,1021 12.667,1022 3.234,1023 8.115,1024 9.895,1025 4.506,1026 14.99,1027 7.86,1028 11.75,1029 1,1030 14.417,1031 2.79,1032 8.844,1033 10.981,1034 4.752,1035 16.981,1036 8.548,1037 13.158,1038 0.951,1039 16.185,1040 2.275,1041 10.108,1042 12.616,1043 5.816,1044 19.409,1045 9.785,1046 3.092,1047 0.315,1048 17.968,1049 2.247,1050 11.03,1051 13.904,1052 6.248,1053 21.576,1054 10.668,1055 3.052,1056 10.363,1057 19.764,1058 0.788,1059 12.2,1060 15.453,1061 7.175,1062 23.934,1063 11.81,1064 2.693,1065 9.743,1066 21.57,1067 4.495,1068 13.219,1069 16.842,1070 7.714,1071 26.183,1072 12.791,1073 2.51,1074 8.171,1075 23.385,1076 4.073,1077 14.352,1078 18.354,1079 8.557,1080 28.515,1081 13.892,1082 2.367,1083 7.231,1084 25.207,1085 3.23,1086 15.419,1087 19.793,1088 9.16,1089 30.801,1090 14.922,1091 2.183,1092 6.777,1093 27.035,1094 3.18,1095 16.538,1096 21.29,1097 9.952,1098 33.124,1099 16.007,1100 2.116,1101 6.276,1102 28.87,1103 2.89,1104 17.63,1105 22.754,1106 10.594,1107 35.429,1108 17.062,1109 18768,1110 31927,1111 25.66,1112 41.074,1113 56.784,1114 58.906,1115 58.044,1116 56.822,1117 56.688,1118 70.942,1119 9.447,1120 164.006,1121 53.459,1122 5.548,1123 5.657,1124 6.081,1125 5.165,1126 5.092,1127 7.495,1128 3.634,1129 17.34,1130 4.981,1131 16.302,1132 1.494,1133 1.55,1134 1.527,1135 1.495,1136 1.492,1137 1.867,1138 0.249,1139 4.316,1140 1.407,1141 4.083,1142 4.106,1143 4.109,1144 4.009,1145 8.201,1146 4.014,1147 4.003,1148 4.031,1149 3.961,1150 3.906,1151 7.429,1152 3.913,1153 3.841,1154 3.895,1155 3.732,1156 3.691,1157 5.068,1158 3.692,1159 3.57,1160 3.612,1161 3.665,1162 3.448,1163 4.79,1164 3.442,1165 3.525,1166 3.562,1167 3.476,1168 3.335,1169 4.694,1170 3.357,1171 3.416,1172 3.466,1173 3.342,1174 3.231,1175 4.547,1176 3.239,1177 3.133,1178 3.206,1179 3.147,1180 2.983,1181 4.324,1182 2.976,1183 3.111,1184 3.187,1185 2.949,1186 2.941,1187 4.169,1188 2.91,1189 0.12,1190 0.096,1191 0.172,1192 0.107,1193 0.081,1194 4.548,1195 0.118,1196 3.657,1197 0.053,1198 6.542,1199 0.273,1200 4.057,1201 0.078,1202 3.092,1203 4.495,1204 2.03,1205 10.363,1206 2.981,1207 2.029,1208 2.011,1209 2.102,1210 2.118,1211 1.478,1212 2.114,1213 1.955,1214 1.928,1215 2.084,1216 2.083,1217 1.223,1218 2.086,1219 1.809,1220 1.759,1221 1.95,1222 1.989,1223 1.147,1224 1.981,1225 1.536,1226 1.497,1227 1.743,1228 1.731,1229 1.003,1230 1.735,1231 1.468,1232 1.421,1233 1.682,1234 1.656,1235 0.825,1236 1.663,1237 1.373,1238 1.327,1239 1.585,1240 1.582,1241 0.802,1242 1.594,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.774,1248 1.429,1249 1.112,1250 1.055,1251 1.388,1252 1.321,1253 0.626,1254 1.341,1255 4.344,1257 5.68,1259 7.207,1261 8.827,1263 10.495,1265 1.955,1266 6.259,1267 14.562,1271 5.822,1272 2.761,1273 11.38,1275 0.399,1276 2.378,1280 39.268,1281 101.672,1282 233.562,1283 308.001,1284 329.02,1285 329.02,1286 329.02,1287 66.393,1288 8.502,1289 63.69,1290 63.69,1291 30,1292 12.753,1293 4.248,1294 3.392,1295 50.504,1296 188,1297 150,1298 0.129,1299 238.76,1300 420.75,1301 574.336,1302 75768,1303 3.3,1304 23.656,1305 0.696,1306 0.583,1307 23.286,1308 19.829,1309 16.441,1310 0.433,1311 0.316,1312 11.476,1313 15.457,1314 11.198,1315 9.166,1316 16.319,1317 11.993,1318 15.379,1319 0.285,1320 0.175,1321 15.258,1322 9.474,1323 12.596,1324 0.18,1325 0.096,1326 12.359,1327 6.754,1328 10.683,1329 0.115,1330 0.053,1331 10.689,1332 4.905,1333 9.246,1334 0.075,1335 0.03,1336 9.137,1337 3.703,1338 0.213,1339 106.508,1340 0.197,1341 32.227,1342 0.331,1343 184,1344 589.144,1345 218.84,1346 563.872,1347 751.75,1348 528,1349 216,1350 520.925,1351 245.324,1352 527.592,1353 775.12,1354 497,1355 6.1} {0 CHEMBL392780,1 1.444,2 14.455,3 3.05,4 9.304,5 132.317,6 7.026,7 0.297,8 4.231,9 4.355,10 3.758,11 3.795,12 5.27,13 3.761,14 4.821,15 4.999,16 4.139,17 4.236,18 5.786,19 4.178,20 5.136,21 5.35,22 4.229,23 4.447,24 6.041,25 4.348,26 5.271,27 5.511,28 4.152,29 4.481,30 6.121,31 4.341,32 5.293,33 5.573,34 4.051,35 4.418,36 6.06,37 4.255,38 5.216,39 5.49,40 4.017,41 4.314,42 6.074,43 4.169,44 5.104,45 5.366,46 3.881,47 4.249,48 5.893,49 4.095,50 5.025,51 5.296,52 3.711,53 4.173,54 5.804,55 3.989,56 0.045,57 0.915,58 13.743,59 5.939,60 13.442,61 8.054,62 0.253,63 1.548,64 26.7,65 10.25,66 32.144,67 14.201,68 0.336,69 2.032,70 37.726,71 14.335,72 44.015,73 20.099,74 0.413,75 2.212,76 44.257,77 16.717,78 53.494,79 23.726,80 0.348,81 2.193,82 46.412,83 17.191,84 56.392,85 25.086,86 0.559,87 2.005,88 43.591,89 15.225,90 76.443,91 22.117,92 0.462,93 1.811,94 38.5,95 14.02,96 50.901,97 19.99,98 0.237,99 1.701,100 34.947,101 13.364,102 41.914,103 19.496,104 21,105 53,106 0.23,107 0.603,108 0.815,109 0.895,110 0.9,111 0.9,112 3.532,113 0.954,114 -3.78,115 -3.75,116 -3.56,119 42.9,120 1,121 2,122 1,125 5,127 2,134 2,135 2,140 6,141 3,142 1,156 2,161 1,162 1,163 1,169 15,172 9,173 1,174 1,176 1,178 18,180 1,181 1,182 10,186 2,189 14,191 2,192 1,193 10,197 2,199 8,201 2,203 9,208 1,211 5,213 1,214 1,215 7,217 1,218 1,222 4,225 2,226 7,231 1,233 7,235 1,237 3,244 6,248 1,249 4,251 1,252 1,256 6,259 1873,260 22.541,261 22.541,262 22.541,263 22.541,264 22.541,265 20.603,266 30.132,267 12.98,268 22.86,269 18.18,270 18.18,271 18.18,272 18.18,273 18.18,274 15.084,275 40.799,276 6.038,277 18.712,278 4.533,279 2.19,280 0.861,281 0.361,282 0.329,283 0.329,284 4.241,289 1,290 1054,291 3.391,294 76.887,295 372.296,298 142.249,299 152.866,302 2.231,303 26.943,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70,315 477,316 4.559,317 4.058,318 6.702,319 4.13,320 3.156,321 4.48,322 2.035,323 10.887,324 3.085,325 4.325,326 3.551,327 6.549,328 4.084,329 3.103,330 3.677,331 1.253,332 10.357,333 3.046,334 3.995,335 3.404,336 6.076,337 3.775,338 2.826,339 3.372,340 0.98,341 8.784,342 2.679,343 3.916,344 3.313,345 5.901,346 3.638,347 2.638,348 3.09,349 0.8,350 8.131,351 2.624,352 3.805,353 3.021,354 5.747,355 3.455,356 2.488,357 2.905,358 0.8,359 7.792,360 2.406,361 3.506,362 2.631,363 5.208,364 3.094,365 2.124,366 2.685,367 0.467,368 6.368,369 2.053,370 3.187,371 2.376,372 5.087,373 2.894,374 1.914,375 2.3,377 5.802,378 1.868,379 3.097,380 2.2,381 4.614,382 2.585,383 1.598,384 2.22,386 4.584,387 1.577,388 2.909,389 2.05,390 4.254,391 2.482,392 1.505,393 1.84,395 3.897,396 1.467,397 2.836,398 1.742,399 4.163,400 2.425,401 1.46,402 1.772,404 3.707,405 1.402,406 2.764,407 1.677,408 4.016,409 2.394,410 1.414,411 1.498,413 3.433,414 1.382,415 2.506,416 1.602,417 3.778,418 2.137,419 1.133,420 1.314,422 2.806,423 1.126,424 2.349,425 1.47,426 3.381,427 1.87,428 0.898,429 1.26,431 2.088,432 0.869,433 2.229,434 1.206,435 3.316,436 1.707,437 0.777,438 0.904,440 1.843,441 0.716,442 1.9,443 0.923,444 3.133,445 1.46,446 0.502,447 0.809,449 1.18,450 0.477,451 15.767,452 0.478,453 0.815,454 0.025,455 39.25,456 1.189,457 18,458 0.545,459 21.25,460 0.644,461 33.125,462 1.004,463 35.233,464 0.559,465 29.136,466 0.883,467 7.407,468 0.224,469 8.622,470 0.261,471 0.104,473 0.368,479 0.798,480 1.25,481 0.834,482 1.073,483 0.594,484 0.972,485 1.067,486 1.04,487 0.946,488 0.953,489 0.447,490 0.934,491 1.044,492 1.024,493 1.059,494 1.037,495 0.621,496 1.045,497 0.967,498 1.088,499 1.107,500 1.126,501 0.753,502 1.136,503 0.724,504 0.999,505 0.919,506 1.007,507 0.644,508 0.989,509 0.947,510 0.929,511 0.944,512 0.924,513 0.762,514 0.932,515 1.062,516 0.928,517 1.06,518 0.97,519 0.632,520 1.017,521 0.628,522 1.121,523 1.063,524 1.168,525 0.711,526 1.167,527 6.5,528 0.206,529 4.444,530 2.292,531 1.893,532 1.181,533 0.915,534 0.513,535 0.235,536 0.275,537 17434,538 42770,539 2.131,540 47.6,541 2,542 20,545 2,547 4,548 2,550 1.747,551 2,552 3.76,553 0.132,559 90.98,560 1.444,561 3.788,562 5.116,563 5.616,564 5.648,565 5.648,566 3.207,567 4.84,568 5.015,569 3.956,570 2088.84,571 8.753,572 32027.3,574 1,577 376.569,578 1.393,579 4.979,580 0.176,581 0.007,582 0.084,583 0.041,584 0.039,585 0.027,586 0.022,587 0.014,588 0.008,589 0.01,590 0.427,591 0.33,592 0.88,593 0.767,594 177.586,595 -0.021,596 -0.075,597 0.06,598 -0.004,599 0.001,600 0.032,601 -0.046,602 0.066,603 0.003,604 0.062,605 0.094,606 0.044,607 -0.098,608 0.02,609 -0.1,610 -0.033,611 0.028,612 -0.061,613 -0.051,614 -0.109,615 -0.138,616 -0.126,617 -0.034,618 -0.142,619 0.021,620 -0.07,621 0.058,622 -0.02,623 0.007,624 0.017,625 0.092,626 0.006,627 0.063,628 0.042,629 0.048,630 0.049,631 -0.046,632 0.014,633 -0.066,634 0.012,635 -0.012,636 -0.028,637 -0.008,638 -0.177,639 -0.107,640 -0.17,641 -0.048,642 -0.154,643 2.021,644 4.468,645 0.758,646 36.691,647 0.993,648 1.124,649 2.555,650 6.526,651 0.664,652 3.638,653 3.989,654 4.304,655 4.575,656 4.828,657 4.949,658 5.112,659 5.198,660 5.263,661 5.342,662 8.186,663 0.625,664 442.61,665 3.638,666 5.198,667 6.071,668 6.961,669 7.848,670 8.742,671 9.634,672 10.53,673 11.424,674 12.32,675 6.3,678 1,681 1,682 1,684 1,687 2,688 6,693 2,695 11,697 1,709 1,714 63,716 15,717 2,718 37,720 67,721 27,722 10,723 4,724 6,725 5,730 5,731 7,736 1,740 3,741 1,743 4,744 1,745 15,746 11,747 1,750 3,755 1,757 2,759 3,764 30,765 6,766 2,767 6,773 4,777 0.6,778 2,792 1,793 4,796 1,797 1,804 1,810 2,811 2,815 1,818 1,819 3,823 1,827 33,828 1,833 7,835 1,837 3,838 2,840 1,843 1,845 1,847 3.2,850 1,851 1,854 16.5,855 11.433,856 7.194,857 3.983,858 3.149,859 1.369,860 0.994,861 6.144,862 11.686,863 3.882,864 4.425,865 5.004,866 5.537,867 6.089,868 6.414,869 6.824,870 7.092,871 7.382,872 7.365,873 0.9,874 56,875 12.238,877 5.301,878 7.657,879 23.967,881 20.724,883 2.157,884 71.167,888 329.591,889 141.485,890 70.205,892 36.145,895 141.485,896 365.736,897 70.205,898 8.825,899 50.981,900 75.81,901 57.451,902 54.767,904 329.591,906 329.591,907 211.69,908 36.145,911 258.964,912 95.772,913 11,915 93.99,916 98.748,917 18.952,919 329.591,920 106.35,921 141.485,924 329.591,925 40.248,926 90.884,927 16.602,928 100.101,929 329.591,930 106.35,931 141.485,933 0.588,934 0.355,935 0.188,936 0.104,937 27,938 12,939 0.075,940 5,941 2,942 1.16,943 4.454,944 311.281,945 0.16,946 25,947 166.465,951 22.01,952 9.211,953 4.382,954 2.321,955 106.35,956 12.3,961 1.945,963 32.897,964 577.426,965 47.5,970 11.468,972 3.894,974 1.477,975 62.549,976 70.81,977 0.242,978 0.634,979 0.856,980 0.94,981 0.945,982 0.945,983 5.163,984 1.598,985 6.066,986 5.802,987 4.673,988 5.112,989 2.815,990 6.903,991 4.619,992 6.362,993 1.505,994 7.643,995 4.584,996 4.29,997 4.902,998 0.57,999 7.849,1000 4.217,1001 7.67,1002 1.46,1003 9.319,1004 3.897,1005 6.297,1006 7.253,1007 3.763,1008 10.945,1009 6.193,1010 9.009,1011 1.414,1012 11.051,1013 3.707,1014 6.735,1015 7.9,1016 0.479,1017 12.708,1018 6.608,1019 10.38,1020 1.133,1021 12.818,1022 3.433,1023 8.205,1024 9.738,1025 5.03,1026 15.317,1027 8.054,1028 11.772,1029 0.898,1030 14.611,1031 2.806,1032 9.012,1033 10.802,1034 0.346,1035 17.417,1036 8.838,1037 13.183,1038 0.777,1039 16.42,1040 2.088,1041 10.271,1042 12.432,1043 6.401,1044 19.861,1045 10.075,1046 3.156,1047 0.502,1048 18.243,1049 1.843,1050 11.25,1051 13.711,1052 0.237,1053 22.106,1054 11.031,1055 3.103,1056 10.887,1057 20.076,1058 1.18,1059 12.423,1060 15.254,1061 7.806,1062 24.495,1063 12.184,1064 2.826,1065 10.357,1066 21.917,1067 4.48,1068 13.481,1069 16.641,1070 0.158,1071 26.805,1072 13.219,1073 2.638,1074 8.784,1075 23.765,1076 3.677,1077 14.622,1078 18.151,1079 9.221,1080 29.176,1081 14.341,1082 2.488,1083 8.131,1084 25.618,1085 3.372,1086 15.717,1087 19.593,1088 0.104,1089 31.516,1090 15.415,1091 2.124,1092 7.792,1093 27.477,1094 3.09,1095 16.848,1096 21.091,1097 10.639,1098 33.883,1099 16.526,1100 1.914,1101 6.368,1102 29.339,1103 2.905,1104 17.962,1105 22.559,1106 0.068,1107 36.238,1108 17.619,1109 16205,1110 25488,1111 24.967,1112 41.83,1113 57.756,1114 60.123,1115 57.909,1116 55.898,1117 55.936,1118 69.242,1119 12.668,1120 164.716,1121 54.376,1122 5.559,1123 6.058,1124 6.252,1125 5.198,1126 5.156,1127 7.48,1128 4.069,1129 18.098,1130 5.085,1131 15.972,1132 1.561,1133 1.625,1134 1.565,1135 1.511,1136 1.512,1137 1.871,1138 0.342,1139 4.452,1140 1.47,1141 4.113,1142 4.14,1143 4.069,1144 4.061,1145 7.437,1146 4.06,1147 3.996,1148 4.023,1149 3.925,1150 3.906,1151 6.82,1152 3.906,1153 3.828,1154 3.891,1155 3.727,1156 3.662,1157 4.901,1158 3.669,1159 3.58,1160 3.621,1161 3.505,1162 3.456,1163 4.871,1164 3.459,1165 3.519,1166 3.558,1167 3.452,1168 3.385,1169 4.709,1170 3.392,1171 3.323,1172 3.392,1173 3.182,1174 3.133,1175 4.386,1176 3.135,1177 3.271,1178 3.36,1179 3.063,1180 3.106,1181 4.262,1182 3.084,1183 3.154,1184 3.227,1185 3.018,1186 2.987,1187 4.239,1188 2.983,1189 0.123,1190 0.11,1191 0.181,1192 0.112,1193 0.085,1194 4.559,1195 0.121,1196 4.058,1197 0.055,1198 6.702,1199 0.294,1200 4.13,1201 0.083,1202 3.156,1203 4.48,1204 2.035,1205 10.887,1206 3.085,1207 2.082,1208 2.063,1209 2.157,1210 2.151,1211 1.414,1212 2.155,1213 1.904,1214 1.875,1215 2.045,1216 2.018,1217 1.351,1218 2.029,1219 1.798,1220 1.735,1221 1.985,1222 1.973,1223 1.25,1224 1.981,1225 1.559,1226 1.516,1227 1.775,1228 1.751,1229 1.063,1230 1.757,1231 1.498,1232 1.456,1233 1.669,1234 1.627,1235 0.901,1236 1.639,1237 1.302,1238 1.242,1239 1.625,1240 1.559,1241 0.739,1242 1.563,1243 1.281,1244 1.218,1245 1.505,1246 1.519,1247 0.695,1248 1.531,1249 1.18,1250 1.113,1251 1.431,1252 1.437,1253 0.569,1254 1.453,1255 4.317,1257 5.659,1258 2.398,1259 7.201,1260 4.727,1261 8.833,1262 6.823,1263 10.511,1265 2.3,1269 5.437,1271 6.427,1273 6.098,1275 1.023,1276 5.035,1278 9.206,1279 2.235,1280 39.364,1281 90.98,1282 238.62,1283 322.304,1284 353.814,1285 355.814,1286 355.814,1287 55.786,1288 8.537,1289 82.59,1290 82.59,1291 29,1292 12.845,1293 4,1294 3.524,1295 48.198,1296 165,1297 156,1298 0.143,1299 238.692,1300 427.24,1301 574.169,1302 72577,1304 22.949,1305 0.695,1306 0.577,1307 22.949,1308 19.036,1309 16.029,1310 0.433,1311 0.318,1312 11.646,1313 15.548,1314 11.364,1315 9.327,1316 16.029,1317 11.771,1318 14.572,1319 0.275,1320 0.177,1321 14.572,1322 9.379,1323 12.829,1324 0.176,1325 0.101,1326 12.829,1327 7.399,1328 10.695,1329 0.111,1330 0.058,1331 10.695,1332 5.537,1333 8.82,1334 0.071,1335 0.032,1336 8.82,1337 3.975,1338 0.23,1339 99.453,1340 0.2,1341 31.087,1342 0.374,1343 180,1344 447.719,1345 192.307,1346 439.324,1347 602.68,1348 412,1349 216,1350 439.717,1351 229.03,1352 449.886,1353 659.23,1354 424,1355 8.745} {0 CHEMBL39317,1 1.743,2 13.138,3 2.284,4 5.217,5 111.283,6 8.231,7 0.656,8 4.035,9 4.142,10 3.824,11 3.603,12 5.152,13 3.573,14 4.55,15 4.694,16 4.067,17 3.979,18 5.864,19 3.938,20 4.762,21 4.958,22 3.996,23 4.054,24 5.864,25 3.981,26 4.776,27 4.985,28 3.994,29 4.036,30 5.839,31 3.948,32 4.735,33 4.951,34 3.91,35 3.922,36 5.879,37 3.854,38 4.617,39 4.835,40 3.756,41 3.772,42 5.711,43 3.707,44 4.474,45 4.704,46 3.634,47 3.661,48 5.467,49 3.577,50 4.358,51 4.552,52 3.606,53 3.598,54 5.506,55 3.523,56 0.174,57 0.798,58 11.978,59 4.628,60 22.26,61 5.339,62 0.413,63 1.233,64 21.012,65 8.141,66 59.502,67 9.788,68 0.446,69 1.403,70 24.699,71 9.179,72 63.619,73 11.559,74 0.373,75 1.415,76 27.685,77 10.02,78 39.695,79 12.698,80 0.433,81 1.328,82 26.879,83 8.998,84 56.802,85 11.442,86 0.467,87 1.156,88 22.409,89 7.461,90 52.779,91 9.692,92 0.413,93 1.013,94 22.365,95 7.332,96 40.216,97 9.254,98 0.432,99 0.93,100 17.515,101 5.651,102 49.191,103 7.302,104 25,105 46,106 0.289,107 0.656,108 0.808,109 0.86,110 0.86,111 0.86,112 3.407,113 1.031,114 -3.49,115 -3.47,116 -3.31,119 40,121 2,124 1,125 1,140 7,141 4,142 1,147 1,149 1,150 1,159 1,161 1,162 1,163 1,164 1,169 11,171 3,172 4,174 2,176 6,178 12,180 1,182 8,186 6,189 9,191 1,193 15,197 3,199 4,201 1,203 14,207 1,208 2,210 1,211 4,213 1,215 7,218 2,220 2,222 6,224 2,226 3,229 3,231 1,233 9,235 1,239 2,240 3,242 1,244 10,248 4,251 1,252 1,254 2,256 7,259 1350,260 19.367,261 19.367,262 19.367,263 19.367,264 19.367,265 16.606,266 15.537,267 11.347,268 19.644,269 15.823,270 15.823,271 15.823,272 15.823,273 15.823,274 11.56,275 15.24,276 5.377,277 16.306,278 3.901,279 1.684,280 0.768,281 0.455,282 0.455,283 0.455,284 4.102,288 1,289 1,290 822,291 3.742,294 156.885,295 181.293,298 128.608,302 2.152,303 31.096,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 63.5,315 381,316 4.643,317 4.311,318 6.567,319 4.11,320 3.139,321 4.519,322 0.68,323 10.437,324 3.082,325 4.571,326 3.183,327 6.455,328 4.075,329 3.123,330 4.441,332 10.195,333 2.92,334 4.235,335 3.03,336 6.143,337 3.824,338 2.857,339 3.88,341 9.1,342 2.764,343 4.003,344 2.749,345 5.576,346 3.595,347 2.605,348 3.601,350 7.64,351 2.574,352 3.655,353 2.49,354 5.247,355 3.254,356 2.286,357 3.062,359 6.684,360 2.207,361 3.398,362 2.209,363 5.125,364 3.01,365 2.027,366 2.72,368 6.006,369 1.989,370 3.317,371 2.059,372 4.932,373 2.889,374 1.919,375 2.63,377 5.751,378 1.857,379 2.833,380 1.437,381 4.306,382 2.352,383 1.384,384 1.976,386 3.942,387 1.338,388 2.65,389 1.363,390 4.07,391 2.245,392 1.261,393 1.711,395 3.266,396 1.239,397 2.5,398 1.111,399 3.414,400 2,401 1.021,402 1.5,404 2.275,405 1,406 2.301,407 1,408 3.325,409 1.983,410 1,411 1.252,413 2.049,414 0.979,415 2.175,416 0.824,417 3.274,418 1.679,419 0.717,420 1.033,422 1.693,423 0.688,424 1.938,425 0.747,426 3.164,427 1.517,428 0.566,429 0.772,431 1.217,432 0.537,433 1.504,434 0.632,435 3.028,436 1.199,437 0.234,438 0.283,440 0.61,441 0.225,442 1,443 0.357,444 2.818,445 0.669,446 -0.294,447 -0.351,449 -0.598,450 -0.282,451 13.833,452 0.477,453 0.849,454 0.029,455 40.25,456 1.388,457 21.5,458 0.741,459 18.75,460 0.647,461 21.731,462 0.749,463 31.167,464 0.623,465 29.962,466 1.033,467 7.809,468 0.269,469 6.1,470 0.21,471 0.113,472 0.06,473 0.289,479 0.625,480 1.207,481 0.81,482 1.137,483 0.749,484 0.883,485 0.587,486 1.151,487 1.009,488 1.155,489 0.517,490 0.981,491 1.14,492 0.981,493 0.906,494 0.86,495 1.197,496 0.998,497 0.918,498 1.124,499 0.952,500 1.047,501 0.55,502 1.037,503 1.096,504 1.086,505 0.95,506 0.996,507 0.976,508 0.997,509 1.188,510 0.992,511 0.864,512 0.865,513 0.998,514 0.994,515 1.021,516 0.845,517 0.943,518 0.87,519 0.578,520 0.867,521 1.135,522 0.958,523 1.003,524 0.952,525 1.184,526 1.076,527 7.5,528 0.174,529 2.889,530 1.826,531 1.486,532 0.83,533 0.691,534 0.299,535 0.233,536 0.258,537 12010,538 36430,539 2.082,540 42,542 12,543 1,545 4,546 2,547 2,550 1.713,551 1.944,552 3.647,553 1.697,554 1,555 1,559 87.151,560 1.743,561 3.96,562 4.876,563 5.189,564 5.189,565 5.189,566 3.125,567 3.995,568 4.827,569 3.861,570 1567.62,571 8.374,572 22166.7,574 1,576 1,577 282.193,578 1.548,579 4.781,580 0.234,581 0.008,582 0.063,583 0.045,584 0.037,585 0.022,586 0.022,587 0.011,588 0.009,589 0.01,590 0.461,591 0.17,592 1,593 1.094,594 150.387,595 0.099,596 0.003,597 0.191,598 -0.004,599 -0.166,600 0.066,601 0.256,602 -0.046,603 -0.057,604 -0.102,605 0.298,606 -0.022,607 -0.21,608 0.015,609 -0.1,610 0.034,611 -0.204,612 -0.046,613 -0.082,614 -0.143,615 -0.03,616 -0.075,617 0.039,618 -0.044,619 -0.112,620 -0.112,621 -0.045,622 -0.077,623 -0.042,624 -0.035,625 -0.114,626 -0.031,627 -0.048,628 -0.026,629 -0.13,630 -0.06,631 -0.038,632 0.11,633 0.035,634 0.09,635 0.002,636 0.122,637 -0.066,638 0.057,639 -0.125,640 -0.045,641 -0.177,642 -0.147,643 4.21,644 4.284,645 0.69,646 32.44,647 1.013,648 1.127,649 2.262,650 5.115,651 0.683,652 3.497,653 3.85,654 4.06,655 4.357,656 4.533,657 4.635,658 4.82,659 4.934,660 4.997,661 5.094,662 7.701,663 0.653,664 411.53,665 3.497,666 5.056,667 5.894,668 6.788,669 7.644,670 8.539,671 9.405,672 10.298,673 11.17,674 12.063,675 10,676 1,680 1,683 1,685 2,687 2,688 8,689 2,690 1,691 1,693 6,695 21,714 50,716 23,717 2,718 32,720 53,721 20,722 16,723 5,724 7,730 4,731 5,736 1,743 2,745 16,746 4,750 2,753 1,755 2,761 1,764 21,765 7,766 4,767 9,768 1,773 5,777 0.75,778 3,788 1,792 2,793 2,796 1,812 1,819 3,821 1,823 1,827 29,828 1,830 1,833 3,834 1,847 6,850 2,852 1,854 14.917,855 9.067,856 6.208,857 2.76,858 4.216,859 1.534,860 1.026,861 5.413,862 12.115,863 3.818,864 4.5,865 5.022,866 5.67,867 6.159,868 6.534,869 7.032,870 7.484,871 7.773,872 8.142,873 0.889,874 41,875 10.826,877 4.792,878 7.888,879 20.265,881 16.882,883 2.388,884 69.25,888 200.109,889 119.932,890 102.47,892 54.047,894 5.807,895 114.125,896 254.156,897 102.47,898 7.19,899 40.072,900 81.189,901 102.12,902 43.734,903 13.915,904 188.338,906 200.109,907 216.595,908 54.047,909 5.807,911 178.894,912 77.589,915 61.877,916 99.602,917 58.595,919 200.109,920 156.517,921 119.932,923 5.807,924 200.109,925 31.553,926 82.572,927 33.191,928 123.326,929 200.109,930 156.517,931 119.932,933 0.586,934 0.315,935 0.177,936 0.095,937 23,938 10,939 0.132,940 7,941 1,942 1.1,943 4.147,944 249.985,945 0.1,946 20,947 134.881,950 1,951 19.645,952 7.991,953 4.674,954 2.14,955 139.731,956 14.994,957 8.571,958 3.243,959 5.45,961 4.479,963 66.088,964 476.558,965 44.5,968 -3.293,970 22.569,975 50.636,976 56.361,977 0.309,978 0.702,979 0.864,980 0.919,981 0.919,982 0.919,983 5.058,984 1.384,985 5.916,986 5.751,987 4.533,988 5.187,989 0.655,990 6.742,991 4.473,992 6.315,993 1.261,994 7.484,995 3.942,996 4.29,997 5.27,999 7.803,1000 4.169,1001 7.669,1002 1.021,1003 9.151,1004 3.266,1005 6.192,1006 7.539,1007 0.356,1008 10.771,1009 6.069,1010 9.061,1011 1,1012 10.876,1013 2.275,1014 6.723,1015 8.411,1017 12.591,1018 6.532,1019 10.483,1020 0.717,1021 12.637,1022 2.049,1023 8.138,1024 10.193,1025 0.18,1026 15.124,1027 7.939,1028 11.926,1029 0.566,1030 14.421,1031 1.693,1032 8.997,1033 11.401,1035 17.239,1036 8.737,1037 13.385,1038 0.234,1039 16.222,1040 1.217,1041 10.231,1042 13.002,1043 0.087,1044 19.632,1045 9.953,1046 3.139,1047 -0.294,1048 18.036,1049 0.61,1050 11.237,1051 14.362,1053 21.868,1054 10.906,1055 3.123,1056 10.437,1057 19.859,1058 -0.598,1059 12.402,1060 15.894,1061 0.041,1062 24.214,1063 12.045,1064 2.857,1065 10.195,1066 21.689,1067 4.519,1068 13.474,1069 17.324,1071 26.501,1072 13.07,1073 2.605,1074 9.1,1075 23.526,1076 4.441,1077 14.613,1078 18.83,1079 0.019,1080 28.832,1081 14.179,1082 2.286,1083 7.64,1084 25.368,1085 3.88,1086 15.715,1087 20.292,1089 31.142,1090 15.241,1091 2.027,1092 6.684,1093 27.214,1094 3.601,1095 16.847,1096 21.789,1097 0.009,1098 33.47,1099 16.34,1100 1.919,1101 6.006,1102 29.064,1103 3.062,1104 17.964,1105 23.269,1107 35.79,1108 17.42,1109 11480,1110 20179,1111 21.266,1112 34.131,1113 48.508,1114 49.575,1115 48.75,1116 48.342,1117 48.277,1118 66.763,1119 1.36,1120 141.728,1121 46.802,1122 5.433,1123 6.311,1124 6.333,1125 5.145,1126 5.139,1127 7.519,1128 1.36,1129 17.099,1130 5.082,1131 14.944,1132 1.516,1133 1.549,1134 1.523,1135 1.511,1136 1.509,1137 2.086,1138 0.043,1139 4.429,1140 1.463,1141 4.149,1142 4.179,1143 4.716,1144 4.064,1145 7.718,1146 4.069,1147 4.021,1148 4.023,1149 4.108,1150 3.972,1151 6.999,1152 3.907,1153 3.866,1154 3.866,1155 3.878,1156 3.792,1157 5.294,1158 3.704,1159 3.732,1160 3.742,1161 3.722,1162 3.544,1163 5.022,1164 3.571,1165 3.517,1166 3.597,1167 3.378,1168 3.343,1169 4.913,1170 3.347,1171 3.292,1172 3.363,1173 3.172,1174 3.109,1175 4.731,1176 3.112,1177 3.049,1178 3.108,1179 2.938,1180 2.876,1181 4.23,1182 2.881,1183 2.917,1184 2.997,1185 2.79,1186 2.74,1187 3.96,1188 2.747,1189 0.145,1190 0.135,1191 0.205,1192 0.128,1193 0.098,1194 4.643,1195 0.141,1196 4.311,1197 0.021,1198 6.567,1199 0.326,1200 4.11,1201 0.096,1202 3.139,1203 4.519,1204 0.68,1205 10.437,1206 3.082,1207 1.955,1208 1.936,1209 2.036,1210 2.035,1211 1.237,1212 2.055,1213 1.934,1214 1.917,1215 2.024,1216 2.024,1217 1.188,1218 2.029,1219 1.676,1220 1.708,1221 1.853,1222 1.846,1223 1.032,1224 1.873,1225 1.651,1226 1.593,1227 1.623,1228 1.808,1229 0.964,1230 1.854,1231 1.377,1232 1.326,1233 1.542,1234 1.603,1235 0.712,1236 1.588,1237 1.3,1238 1.233,1239 1.521,1240 1.559,1241 0.559,1242 1.548,1243 1.129,1244 1.089,1245 1.252,1246 1.413,1247 0.351,1248 1.35,1249 0.886,1250 0.821,1251 1.181,1252 1.133,1253 0.218,1254 1.136,1255 4.174,1257 5.517,1258 3.045,1259 7.027,1260 5.352,1261 8.613,1262 7.402,1263 10.242,1265 1.117,1269 5.687,1271 1.858,1272 2.436,1280 32.653,1281 87.151,1282 198.012,1283 243.786,1284 259.438,1285 259.438,1286 259.438,1287 52.041,1288 7.899,1289 126.9,1290 135.28,1291 22,1292 12.594,1293 4.585,1294 3.755,1295 45.077,1296 136,1297 120,1298 0.163,1299 203.788,1300 337.64,1301 489.003,1302 31841,1304 20.433,1305 0.705,1306 0.575,1307 20.683,1308 16.661,1309 13.909,1310 0.435,1311 0.344,1312 9.146,1313 12.632,1314 8.757,1315 7.272,1316 14.836,1317 11,1318 13.45,1319 0.292,1320 0.188,1321 14.832,1322 8.625,1323 10.044,1324 0.176,1325 0.09,1326 10.495,1327 5.122,1328 8.802,1329 0.114,1330 0.049,1331 9.337,1332 3.768,1333 6.848,1334 0.074,1335 0.026,1336 7.213,1337 2.421,1338 0.264,1339 96.682,1340 0.217,1341 28.06,1342 0.426,1343 156,1344 479.335,1345 202.125,1346 486.246,1347 661.78,1348 448,1349 181,1350 476.309,1351 234.45,1352 511.656,1353 733.6,1354 477,1355 9} {0 CHEMBL393539,1 1.634,2 15,3 4.493,4 20.187,5 124.008,6 7.665,7 0.447,8 4.223,9 4.332,10 3.813,11 3.748,12 5.32,13 3.743,14 4.805,15 4.97,16 4.197,17 4.154,18 5.895,19 4.135,20 5.098,21 5.298,22 4.291,23 4.317,24 6.21,25 4.267,26 5.153,27 5.385,28 4.188,29 4.293,30 6.236,31 4.2,32 5.109,33 5.362,34 4.069,35 4.201,36 6.157,37 4.103,38 5.017,39 5.257,40 3.96,41 4.091,42 6.071,43 4.009,44 4.941,45 5.18,46 3.85,47 4.027,48 5.972,49 3.935,50 4.862,51 5.099,52 3.839,53 4.02,54 5.746,55 3.92,56 0.085,57 1.009,58 11.923,59 5.938,60 10.927,61 7.203,62 0.371,63 1.655,64 24.682,65 9.923,66 34.61,67 12.511,68 0.84,69 2.125,70 36.167,71 13.063,72 81.443,73 16.694,74 0.933,75 2.154,76 40.332,77 14.993,78 101.442,79 19.705,80 0.759,81 1.994,82 39.794,83 14.092,84 104.578,85 18.845,86 0.753,87 1.949,88 36.411,89 12.469,90 98.934,91 15.616,92 0.917,93 1.771,94 33.897,95 10.938,96 100.944,97 13.917,98 0.487,99 1.497,100 29.658,101 10.786,102 50.041,103 14.585,104 17,105 54,106 0.263,107 0.605,108 0.807,109 0.867,110 0.867,111 0.867,112 3.56,113 0.917,114 -4.32,115 -4.26,116 -4.02,119 42.6,120 1,121 3,122 1,125 5,140 6,141 2,142 5,144 2,156 1,169 8,172 9,174 1,178 11,181 2,182 4,184 1,186 2,189 7,192 1,193 5,197 2,199 7,203 8,208 1,211 2,215 7,220 2,222 1,225 1,226 7,233 4,237 3,240 1,244 4,248 1,249 4,256 7,259 2028,260 22.98,261 22.98,262 22.98,263 22.98,264 22.98,265 20.684,266 27.054,267 13.399,268 23.53,269 18.77,270 18.77,271 18.77,272 18.77,273 18.77,274 15.221,275 27.93,276 6.418,277 19.695,278 4.297,279 2.167,280 0.914,281 0.537,282 0.537,283 0.537,284 4.269,288 1,289 1,290 1130,291 3.162,295 503.051,299 335.699,302 2.294,303 46.848,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 75.5,315 510,316 4.548,317 3.68,318 6.642,319 4.091,320 3.134,321 4.495,322 2.03,323 10.58,324 2.994,325 4.478,326 3.332,327 6.542,328 4.061,329 3.092,330 4.161,331 0.892,332 10.363,333 2.993,334 3.797,335 3.262,336 5.761,337 3.649,338 2.682,339 3.23,340 0.86,341 7.94,342 2.599,343 3.754,344 2.897,345 5.446,346 3.405,347 2.452,348 3.058,349 0.8,350 7.149,351 2.336,352 3.607,353 2.729,354 5.338,355 3.315,356 2.365,357 2.89,358 0.141,359 6.775,360 2.243,361 3.505,362 2.703,363 5.109,364 3.148,365 2.173,366 2.684,368 6.208,369 2.106,370 3.438,371 2.598,372 5.02,373 3.052,374 2.115,375 2.601,377 5.962,378 1.961,379 3.253,380 2.379,381 4.959,382 2.969,383 2.008,384 2.542,386 5.788,387 1.913,388 3.165,389 2.118,390 4.819,391 2.81,392 1.852,393 2.283,395 5.294,396 1.766,397 3,398 1.939,399 4.653,400 2.641,401 1.681,402 2.088,404 4.712,405 1.599,406 2.623,407 1.63,408 3.936,409 2.242,410 1.314,411 1.662,413 3.23,414 1.207,415 2.16,416 1.561,417 3.588,418 1.984,419 1,420 1.123,422 2.28,423 0.983,424 2.051,425 1.21,426 3.414,427 1.926,428 0.969,429 1.007,431 2.275,432 0.92,433 2,434 1.155,435 3.408,436 1.795,437 0.919,438 1,440 2.217,441 0.795,442 1.614,443 1.077,444 3.157,445 1.41,446 0.47,447 0.516,449 1.176,450 0.434,451 15.771,452 0.464,453 0.886,454 0.026,455 41.5,456 1.221,457 19,458 0.559,459 22.5,460 0.662,461 32.258,462 0.949,463 37.629,464 0.617,465 31.744,466 0.934,467 8.06,468 0.237,469 8.398,470 0.247,471 0.089,473 0.374,477 2,479 0.654,480 1.12,481 0.715,482 1.132,483 0.516,484 0.981,485 0.828,486 1.032,487 0.829,488 1.024,489 0.547,490 0.944,491 0.933,492 0.952,493 1.005,494 0.997,495 0.852,496 1.011,497 0.741,498 1.01,499 0.935,500 1.101,501 0.761,502 1.083,503 0.808,504 0.97,505 0.88,506 0.985,507 0.708,508 0.962,509 1.283,510 1.18,511 1.144,512 1.046,513 1.306,514 1.054,515 1.288,516 0.922,517 1.274,518 0.945,519 1.372,520 1.065,521 0.737,522 0.84,523 0.958,524 1.021,525 0.574,526 1.045,527 7.5,528 0.194,529 3.778,530 2.25,531 2.338,532 1.069,533 0.664,534 0.451,535 0.287,536 0.217,537 20364,538 58073,539 2.127,540 44.3,541 3,542 16,545 1,546 3,547 4,550 1.752,551 2,552 3.805,553 -0.363,555 1,559 99.672,560 1.634,561 3.763,562 5.016,563 5.394,564 5.394,565 5.394,566 3.204,567 4.712,568 5.064,569 4.043,570 2268.38,571 8.83,572 37173.5,577 361.775,578 1.379,579 5.023,580 0.197,581 0.008,582 0.07,583 0.04,584 0.049,585 0.025,586 0.017,587 0.013,588 0.008,589 0.007,590 0.435,591 0.17,592 0.75,593 0.513,594 186.855,595 -0.029,596 -0.107,597 0.054,598 -0.054,599 -0.012,600 0.008,601 -0.045,602 -0.088,603 0.041,604 -0.017,605 0.043,606 0.024,607 -0.001,608 0.013,609 -0.063,610 -0.019,611 -0.004,612 -0.049,613 0.145,614 -0.047,615 0.037,616 -0.095,617 0.086,618 -0.069,619 0.042,620 -0.079,621 0.111,622 -0.001,623 0.097,624 0.057,625 -0.16,626 -0.081,627 -0.116,628 -0.058,629 -0.133,630 -0.071,631 -0.15,632 0.172,633 -0.25,634 0.016,635 -0.2,636 -0.108,637 -0.034,638 -0.058,639 -0.02,640 -0.049,641 -0.019,642 -0.037,643 2.062,644 6.896,645 0.765,646 38.353,647 1.013,648 1.134,649 3.091,650 9.551,651 0.658,652 3.664,653 4.007,654 4.277,655 4.554,656 4.828,657 4.86,658 4.905,659 5.056,660 5.112,661 5.106,662 8.889,663 0.636,664 467.56,665 3.664,666 5.22,667 6.075,668 6.959,669 7.829,670 8.715,671 9.59,672 10.476,673 11.354,674 12.241,675 4.9,678 1,682 1,685 1,687 2,688 6,689 1,693 7,695 17,712 2,713 2,714 61,716 18,717 2,718 38,720 65,721 26,722 15,723 8,724 4,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,762 2,764 27,765 8,766 1,767 8,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 2,827 34,833 8,834 1,835 2,837 1,838 1,846 2,847 4.9,850 1,852 2,854 17,855 11.269,856 7.306,857 3.839,858 3.459,859 1.407,860 1,861 6.667,862 11.961,863 3.882,864 4.489,865 5.045,866 5.629,867 6.206,868 6.458,869 6.685,870 7.035,871 7.234,872 7.013,873 0.9,874 56,875 12.73,877 5.63,878 7.897,879 24.165,881 20.463,883 2.397,884 81.5,888 306.049,889 135.638,890 37.921,892 47.145,893 29.92,895 135.638,896 353.193,897 67.841,898 8.825,899 41.116,900 56.857,901 46.635,902 67.269,903 29.92,904 306.049,906 306.049,907 173.558,908 77.065,911 288.884,912 94.229,915 57.967,916 98.806,917 16.786,919 335.969,920 85.065,921 135.638,924 306.049,925 69.955,926 68.807,927 18.011,928 93.85,929 306.049,930 114.986,931 135.638,933 0.588,934 0.341,935 0.187,936 0.11,937 27,938 12,939 0.092,940 6,941 2,942 1.154,943 4.622,944 314.866,945 0.154,946 26,947 168.974,951 23.01,952 9.851,953 5.188,954 1.399,955 114.986,956 10.121,957 4.387,961 1.728,963 18.011,964 556.672,965 47.5,970 11.547,974 -0.336,975 61.8,976 69.2,977 0.276,978 0.635,979 0.846,980 0.909,981 0.909,982 0.909,983 5.143,984 2.008,985 6.066,986 5.962,987 4.691,988 5.176,989 2.496,990 6.872,991 4.599,992 6.345,993 1.852,994 7.621,995 5.788,996 4.29,997 5.075,998 1.668,999 7.732,1000 4.16,1001 7.656,1002 1.681,1003 9.271,1004 5.294,1005 6.286,1006 7.38,1007 3.324,1008 10.831,1009 6.117,1010 8.998,1011 1.314,1012 10.976,1013 4.712,1014 6.661,1015 8.087,1016 3.213,1017 12.512,1018 6.451,1019 10.371,1020 1,1021 12.717,1022 3.23,1023 8.141,1024 9.915,1025 4.506,1026 15.141,1027 7.898,1028 11.767,1029 0.969,1030 14.485,1031 2.28,1032 8.895,1033 11.018,1034 4.752,1035 17.193,1036 8.61,1037 13.182,1038 0.919,1039 16.273,1040 2.275,1041 10.163,1042 12.652,1043 5.816,1044 19.652,1045 9.846,1046 3.134,1047 0.47,1048 18.078,1049 2.217,1050 11.109,1051 13.954,1052 6.248,1053 21.87,1054 10.75,1055 3.092,1056 10.58,1057 19.896,1058 1.176,1059 12.288,1060 15.503,1061 7.175,1062 24.264,1063 11.896,1064 2.682,1065 10.363,1066 21.726,1067 4.495,1068 13.329,1069 16.9,1070 7.714,1071 26.555,1072 12.895,1073 2.452,1074 7.94,1075 23.565,1076 4.161,1077 14.473,1078 18.413,1079 8.557,1080 28.923,1081 14.005,1082 2.365,1083 7.149,1084 25.413,1085 3.23,1086 15.561,1087 19.857,1088 9.16,1089 31.246,1090 15.051,1091 2.173,1092 6.775,1093 27.266,1094 3.058,1095 16.694,1096 21.354,1097 9.952,1098 33.603,1099 16.147,1100 2.115,1101 6.208,1102 29.126,1103 2.89,1104 17.804,1105 22.82,1106 10.594,1107 35.941,1108 17.216,1109 18743,1110 31850,1111 25.66,1112 40.154,1113 56.763,1114 59.168,1115 58.349,1116 56.699,1117 56.696,1118 70.954,1119 9.447,1120 164.495,1121 53.92,1122 5.548,1123 5.68,1124 6.181,1125 5.199,1126 5.134,1127 7.495,1128 3.634,1129 17.803,1130 4.994,1131 16.253,1132 1.494,1133 1.557,1134 1.535,1135 1.492,1136 1.492,1137 1.867,1138 0.249,1139 4.329,1140 1.419,1141 4.085,1142 4.11,1143 4.052,1144 4.001,1145 8.203,1146 4.01,1147 4.004,1148 4.032,1149 3.961,1150 3.906,1151 8.199,1152 3.913,1153 3.842,1154 3.896,1155 3.731,1156 3.691,1157 7.429,1158 3.692,1159 3.57,1160 3.614,1161 3.484,1162 3.43,1163 4.98,1164 3.433,1165 3.526,1166 3.566,1167 3.449,1168 3.334,1169 4.789,1170 3.354,1171 3.415,1172 3.466,1173 3.287,1174 3.228,1175 4.572,1176 3.236,1177 3.135,1178 3.206,1179 3.032,1180 2.965,1181 4.335,1182 2.967,1183 3.111,1184 3.193,1185 2.937,1186 2.941,1187 4.19,1188 2.91,1189 0.12,1190 0.097,1191 0.175,1192 0.108,1193 0.082,1194 4.548,1195 0.118,1196 3.68,1197 0.053,1198 6.642,1199 0.278,1200 4.091,1201 0.079,1202 3.134,1203 4.495,1204 2.03,1205 10.58,1206 2.994,1207 2.028,1208 2.008,1209 2.103,1210 2.126,1211 1.478,1212 2.117,1213 1.955,1214 1.928,1215 2.088,1216 2.083,1217 1.218,1218 2.086,1219 1.809,1220 1.759,1221 1.95,1222 1.989,1223 1.146,1224 1.98,1225 1.534,1226 1.492,1227 1.745,1228 1.732,1229 1.003,1230 1.736,1231 1.468,1232 1.42,1233 1.688,1234 1.665,1235 0.825,1236 1.669,1237 1.376,1238 1.328,1239 1.595,1240 1.591,1241 0.796,1242 1.599,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.774,1248 1.429,1249 1.11,1250 1.049,1251 1.396,1252 1.326,1253 0.629,1254 1.345,1255 4.344,1257 5.68,1259 7.212,1261 8.837,1263 10.513,1265 1.876,1267 28.885,1271 5.422,1272 2.578,1273 11.211,1275 0.367,1276 2.317,1280 38.824,1281 99.672,1282 229.562,1283 306.001,1284 329.02,1285 329.02,1286 329.02,1287 74.654,1288 8.502,1289 63.69,1290 63.69,1291 30,1292 12.774,1293 4.248,1294 3.392,1295 50.52,1296 188,1297 150,1298 0.13,1299 231.626,1300 411.61,1301 556.927,1302 75766,1303 3.3,1304 23.656,1305 0.696,1306 0.561,1307 21.916,1308 19.073,1309 16.458,1310 0.433,1311 0.306,1312 11.426,1313 15.673,1314 11.206,1315 9.174,1316 15.636,1317 11.622,1318 15.271,1319 0.283,1320 0.167,1321 14.204,1322 9.01,1323 12.746,1324 0.18,1325 0.092,1326 11.863,1327 6.561,1328 10.766,1329 0.115,1330 0.05,1331 10.025,1332 4.714,1333 9.252,1334 0.075,1335 0.028,1336 8.573,1337 3.522,1338 0.213,1339 104.3,1340 0.197,1341 32.218,1342 0.331,1343 184,1344 649.052,1345 207.151,1346 563.729,1347 752.37,1348 528,1349 217,1350 538.395,1351 240.321,1352 528.468,1353 778.73,1354 498,1355 7} {0 CHEMBL399203,1 1.879,2 11.533,3 3.959,4 15.673,5 108.847,6 9.692,7 0.545,8 3.951,9 4.02,10 3.855,11 3.517,12 5.243,13 3.528,14 4.416,15 4.494,16 4.169,17 3.882,18 6.009,19 3.892,20 4.678,21 4.808,22 4.259,23 3.965,24 6.059,25 3.979,26 4.696,27 4.837,28 4.236,29 3.873,30 6.137,31 3.903,32 4.615,33 4.727,34 4.27,35 3.861,36 6.292,37 3.886,38 4.667,39 4.805,40 4.145,41 3.872,42 6.382,43 3.874,44 4.565,45 4.738,46 3.937,47 3.826,48 5.906,49 3.779,50 4.45,51 4.618,52 3.814,53 3.691,54 5.807,55 3.65,56 0.29,57 0.69,58 7.19,59 3.954,60 31.166,61 3.256,62 0.583,63 1.047,64 9.653,65 6.493,66 83.7,67 5.905,68 0.801,69 1.296,70 18.325,71 7.977,72 81.142,73 7.222,74 1.013,75 1.263,76 21.465,77 7.998,78 121.586,79 6.94,80 1.084,81 1.193,82 19.154,83 7.614,84 154.458,85 6.698,86 1.177,87 1.217,88 19.375,89 7.614,90 186.509,91 6.664,92 0.8,93 1.095,94 20.531,95 8.434,96 93.36,97 9.071,98 0.728,99 0.974,100 16.711,101 7.008,102 79.014,103 7.263,104 27,105 48,106 0.317,107 0.58,108 0.697,109 0.817,110 0.864,111 0.875,112 3.441,113 0.912,114 -3.14,115 -3.13,116 -3.01,119 43.2,140 11,142 7,157 1,164 2,169 7,171 2,172 5,174 4,175 1,176 2,178 7,182 12,184 2,186 3,189 3,192 2,193 3,195 3,197 3,199 2,202 4,203 4,206 6,207 2,208 7,211 6,214 6,215 3,218 2,220 3,222 7,225 2,226 6,229 1,231 4,233 6,237 6,240 3,242 4,244 5,249 6,254 2,256 2,259 1432,260 19.833,261 19.833,262 19.833,263 19.833,264 19.833,265 16.779,266 22.818,267 11.601,268 20.311,269 16.326,270 16.326,271 16.326,272 16.326,273 16.326,274 11.738,275 29.905,276 5.565,277 17.175,278 3.58,279 2.02,280 1.328,281 0.616,282 0.335,283 0.273,284 4.134,288 1,289 1,290 746,291 3.464,295 336.294,299 127.788,302 1.636,303 53.773,306 1,307 0.83,308 1,309 0.4,311 0.83,312 0.5,313 0.65,314 68,315 346,316 4.933,317 4.718,318 7.445,319 4.416,320 3.495,321 4.795,322 2.612,323 13.119,324 3.198,325 4.284,326 3.777,327 6.207,328 3.848,329 2.903,330 3.984,331 1.233,332 9.278,333 2.742,334 4.246,335 3.238,336 6.192,337 3.77,338 2.807,339 3.844,340 0.86,341 9.107,342 2.693,343 3.971,344 3.023,345 5.836,346 3.45,347 2.505,348 3.499,349 0.268,350 7.865,351 2.37,352 3.852,353 2.803,354 5.405,355 3.402,356 2.442,357 3.405,359 7.088,360 2.342,361 3.599,362 2.534,363 5.255,364 3.096,365 2.173,366 2.87,368 6.524,369 1.993,370 3.005,371 1.897,372 4.769,373 2.534,374 1.571,375 2.182,377 4.732,378 1.503,379 2.982,380 1.805,381 4.301,382 2.527,383 1.566,384 2.172,386 4.017,387 1.497,388 2.925,389 1.76,390 3.952,391 2.405,392 1.422,393 2.06,395 3.14,396 1.395,397 2.842,398 1.5,399 3.644,400 2.289,401 1.307,402 1.948,404 3.016,405 1.279,406 2.756,407 1.398,408 3.551,409 2.207,410 1.216,411 1.861,413 2.891,414 1.204,415 2.5,416 1,417 3.333,418 2,419 1,420 1.5,422 2.136,423 1,424 1.665,425 1,426 3.247,427 1.298,428 0.37,429 0.452,431 0.984,432 0.341,433 1.461,434 0.817,435 3.106,436 1.108,437 0.181,438 0.221,440 0.468,441 0.166,442 1.057,443 0.477,444 2.866,445 0.739,446 -0.194,447 -0.229,449 -0.536,450 -0.179,451 13.933,452 0.464,453 0.927,454 0.031,455 47.25,456 1.575,457 27.5,458 0.917,459 19.75,460 0.658,461 18.882,462 0.629,463 31.667,464 0.72,465 39.067,466 1.302,467 9.315,468 0.311,469 5.016,470 0.167,471 0.12,472 0.06,473 0.316,479 0.605,480 1.134,481 0.747,482 1.083,483 0.684,484 0.784,485 0.57,486 1.109,487 0.802,488 1.094,489 0.488,490 1.009,491 1.041,492 1.209,493 0.949,494 1.078,495 0.804,496 0.987,497 1.201,498 1.112,499 0.99,500 0.986,501 1.115,502 0.915,503 0.749,504 1.02,505 0.994,506 1.072,507 0.829,508 0.954,509 0.958,510 0.891,511 1.061,512 0.884,513 0.914,514 1,515 0.7,516 0.935,517 0.958,518 1.023,519 0.717,520 1.042,521 0.817,522 0.938,523 0.983,524 0.97,525 0.806,526 1.072,527 7.5,528 0.194,529 3.556,530 2.375,531 2.671,532 1.063,533 0.789,534 0.547,535 0.283,536 0.326,537 11403,538 42077,539 2.059,540 31.8,542 11,545 3,550 1.73,551 1.905,552 3.461,553 0.999,555 1,559 82.692,560 1.879,561 3.44,562 4.132,563 4.843,564 5.124,565 5.187,566 2.898,567 4.507,568 4.878,569 3.629,570 1578.53,571 8.521,572 21438.5,574 1,576 1,577 240.215,578 1.615,579 4.82,580 0.227,581 0.008,582 0.074,583 0.047,584 0.057,585 0.022,586 0.018,587 0.015,588 0.009,589 0.012,590 0.49,591 0.33,592 0.88,593 0.758,594 153.067,595 0.065,596 0.013,597 0.159,599 -0.133,600 0.063,601 0.209,602 -0.037,603 -0.013,604 -0.122,605 0.224,606 -0.16,607 -0.136,608 -0.183,609 -0.003,610 -0.104,611 -0.057,612 -0.053,613 -0.128,614 -0.1,615 0.029,616 -0.017,617 -0.129,618 0.022,619 0.308,620 0.041,621 0.043,622 -0.055,623 0.206,624 -0.062,625 0.09,626 0.129,627 -0.114,628 0.048,629 0.204,630 -0.082,631 0.111,632 -0.005,633 0.068,634 -0.007,635 0.05,636 0.053,637 0.033,638 0.014,639 -0.006,640 -0.001,641 -0.012,642 -0.023,643 5.127,644 5.58,645 0.733,646 28.098,647 1.042,648 1.119,649 1.909,650 3.645,651 0.709,652 3.526,653 3.892,654 4.143,655 4.431,656 4.718,657 4.779,658 4.92,659 5.004,660 5.124,661 5.198,662 6.668,663 0.709,664 426.44,665 3.526,666 5.094,667 5.948,668 6.849,669 7.727,670 8.633,671 9.522,672 10.43,673 11.326,674 12.237,675 9.1,677 1,680 1,684 1,686 1,688 11,693 7,695 18,707 1,708 1,711 1,712 1,714 44,716 23,717 3,718 33,720 47,721 19,722 18,723 7,724 11,725 1,730 4,731 5,734 1,745 19,750 5,752 1,753 1,755 4,758 1,759 1,761 1,764 14,765 9,766 3,767 11,768 1,773 4,777 0.75,778 6,793 4,797 1,819 3,821 1,827 30,830 1,832 1,834 2,835 1,847 13.6,849 1,850 2,852 1,853 2,854 15.75,855 7.767,856 6.403,857 2.308,858 4.146,859 1.527,860 0.993,861 5.239,862 12.009,863 3.871,864 4.538,865 5.042,866 5.63,867 6.209,868 6.458,869 6.847,870 7.148,871 7.476,872 7.861,873 0.875,874 50,875 11.473,877 5.5,878 8.292,879 20.023,881 16.532,883 2.792,884 83.75,887 1,888 129.482,889 132.253,890 56.871,892 148.743,894 5.807,895 126.446,896 278.225,897 56.871,898 5.67,900 126.451,901 105.007,902 48.093,903 1.899,904 129.482,905 50.747,906 129.482,907 183.317,908 148.743,909 5.807,911 129.482,912 97.996,913 50.747,915 33.191,916 126.446,917 29.488,919 129.482,920 205.614,921 132.253,923 5.807,924 129.482,925 22.207,926 109.909,927 34.416,928 165.529,929 129.482,930 205.614,931 132.253,933 0.593,934 0.338,935 0.182,936 0.109,937 24,938 11,939 0.106,940 5,941 1,942 1.091,943 4.021,944 275.657,945 0.091,946 22,947 139.207,950 1,951 20.006,952 7.856,953 4.202,955 199.944,956 17.463,961 -0.593,963 77.099,964 467.35,965 47,967 -0.801,968 -4.21,970 47.08,973 4.072,974 -0.198,975 45.865,976 49.246,977 0.344,978 0.63,979 0.757,980 0.887,981 0.939,982 0.95,983 5.121,984 1.566,985 5.979,986 4.732,987 4.575,988 5.226,989 2.802,990 6.847,991 4.468,992 6.383,993 1.422,994 7.579,995 4.017,996 4.369,997 5.316,998 2.439,999 8.028,1000 4.162,1001 7.743,1002 1.307,1003 9.292,1004 3.14,1005 6.263,1006 7.55,1007 4.22,1008 11.101,1009 6.022,1010 9.142,1011 1.216,1012 11.073,1013 3.016,1014 6.847,1015 8.424,1016 4.528,1017 13.12,1018 6.485,1019 10.574,1020 1,1021 12.901,1022 2.891,1023 8.283,1024 10.202,1025 5.961,1026 15.809,1027 7.883,1028 12.031,1029 0.37,1030 14.762,1031 2.136,1032 9.218,1033 11.427,1034 6.561,1035 18.164,1036 8.696,1037 13.508,1038 0.181,1039 16.649,1040 0.984,1041 10.496,1042 13.044,1043 7.797,1044 20.755,1045 9.918,1046 3.495,1047 -0.194,1048 18.556,1049 0.468,1050 11.592,1051 14.436,1052 8.549,1053 23.243,1054 10.897,1055 2.903,1056 13.119,1057 20.48,1058 -0.536,1059 12.823,1060 15.998,1061 9.67,1062 25.814,1063 12.054,1064 2.807,1065 9.278,1066 22.418,1067 4.795,1068 13.993,1069 17.471,1070 10.509,1071 28.353,1072 13.115,1073 2.505,1074 9.107,1075 24.368,1076 3.984,1077 15.216,1078 19.019,1079 11.563,1080 30.922,1081 14.253,1082 2.442,1083 7.865,1084 26.327,1085 3.844,1086 16.422,1087 20.534,1088 12.452,1089 33.482,1090 15.354,1091 2.173,1092 7.088,1093 28.295,1094 3.499,1095 17.649,1096 22.081,1097 13.468,1098 36.052,1099 16.49,1100 1.571,1101 6.524,1102 30.269,1103 3.405,1104 18.873,1105 23.618,1106 14.386,1107 38.62,1108 17.614,1109 10917,1110 21267,1111 21.671,1112 31.205,1113 50.16,1114 52.195,1115 51.031,1116 49.977,1117 49.916,1118 69.588,1119 9.947,1120 148.728,1121 47.446,1122 5.848,1123 6.718,1124 7.247,1125 5.531,1126 5.495,1127 7.795,1128 4.612,1129 21.126,1130 5.198,1131 15.775,1132 1.52,1133 1.582,1134 1.546,1135 1.514,1136 1.513,1137 2.109,1138 0.301,1139 4.507,1140 1.438,1141 4.142,1142 4.133,1143 4.747,1144 4.093,1145 7.815,1146 4.027,1147 3.944,1148 3.963,1149 3.91,1150 3.86,1151 7.717,1152 3.861,1153 3.823,1154 3.856,1155 3.872,1156 3.758,1157 6.999,1158 3.752,1159 3.765,1160 3.759,1161 3.749,1162 3.57,1163 6.999,1164 3.532,1165 3.401,1166 3.386,1167 3.468,1168 3.103,1169 6.469,1170 3.14,1171 3.248,1172 3.301,1173 3.208,1174 2.918,1175 4.954,1176 2.994,1177 3.004,1178 3.026,1179 2.921,1180 2.823,1181 4.761,1182 2.84,1183 2.854,1184 2.925,1185 2.714,1186 2.735,1187 4.646,1188 2.715,1189 0.149,1190 0.143,1191 0.226,1192 0.134,1193 0.106,1194 4.933,1195 0.145,1196 4.718,1197 0.079,1198 7.445,1199 0.398,1200 4.416,1201 0.097,1202 3.495,1203 4.795,1204 2.612,1205 13.119,1206 3.198,1207 1.997,1208 2.004,1209 2.021,1210 2.129,1211 1.193,1212 2.12,1213 1.907,1214 1.887,1215 1.969,1216 2.018,1217 1.078,1218 2.014,1219 1.826,1220 1.797,1221 1.942,1222 1.921,1223 1.017,1224 1.93,1225 1.521,1226 1.534,1227 1.456,1228 1.827,1229 0.613,1230 1.775,1231 1.156,1232 1.149,1233 1.181,1234 1.487,1235 0.289,1236 1.422,1237 1.065,1238 1.025,1239 1.167,1240 1.371,1241 0.218,1242 1.359,1243 0.939,1244 0.91,1245 1.149,1246 1.155,1247 0.197,1248 1.147,1249 0.886,1250 0.821,1251 1.121,1252 1.062,1253 0.127,1254 1.107,1255 4.205,1257 5.557,1259 7.106,1261 8.749,1263 10.446,1270 10.095,1272 5.024,1273 5.819,1280 31.196,1281 82.692,1282 151.353,1283 181.797,1284 213.096,1285 225.46,1286 228.215,1287 74.948,1288 7.864,1289 145.84,1290 154.22,1291 24,1292 12.754,1293 4.585,1294 3.907,1295 46.966,1296 120,1297 122,1298 0.192,1299 193.536,1300 341.33,1301 463.987,1302 29736,1304 21.303,1305 0.71,1306 0.532,1307 21.553,1308 15.958,1309 14.331,1310 0.434,1311 0.304,1312 8.521,1313 12.863,1314 8.294,1315 6.858,1316 15.152,1317 10.035,1318 13.798,1319 0.287,1320 0.163,1321 15.079,1322 7.822,1323 10.909,1324 0.176,1325 0.088,1326 11.984,1327 5.458,1328 9.213,1329 0.111,1330 0.047,1331 10.385,1332 3.916,1333 7.976,1334 0.072,1335 0.025,1336 9.147,1337 2.799,1338 0.3,1339 99.689,1340 0.215,1341 28.104,1342 0.535,1343 162,1344 611.644,1345 221.67,1346 602.561,1347 803.16,1348 550,1349 191,1350 570.842,1351 261.305,1352 601.95,1353 875.3,1354 563,1355 5.495} {0 CHEMBL399719,1 1.498,2 15,3 3.171,4 10.057,5 127.749,6 7.089,7 0.459,8 4.243,9 4.363,10 3.785,11 3.751,12 5.255,13 3.733,14 4.826,15 5.015,16 4.143,17 4.146,18 5.784,19 4.116,20 5.066,21 5.265,22 4.224,23 4.333,24 6.056,25 4.264,26 5.159,27 5.392,28 4.065,29 4.342,30 6.02,31 4.213,32 5.163,33 5.436,34 3.919,35 4.247,36 5.936,37 4.101,38 4.997,39 5.251,40 3.829,41 4.12,42 5.803,43 3.979,44 4.94,45 5.207,46 3.799,47 4.053,48 5.721,49 3.928,50 4.877,51 5.112,52 3.8,53 4.067,54 5.676,55 3.947,56 0.01,57 0.928,58 13.865,59 5.796,60 7.215,61 7.848,62 0.321,63 1.531,64 27.553,65 9.024,66 24.733,67 12.812,68 0.58,69 1.855,70 35.609,71 12.255,72 50.569,73 17.117,74 0.35,75 1.905,76 39.659,77 14.908,78 45.889,79 20.951,80 0.474,81 1.83,82 41.624,83 14.414,84 47.042,85 20.762,86 0.405,87 1.607,88 34.475,89 12.085,90 39.426,91 17.551,92 0.436,93 1.538,94 32.98,95 10.755,96 38.467,97 15.915,98 0.304,99 1.469,100 29.969,101 10.748,102 25.387,103 15.254,104 10,105 52,106 0.239,107 0.54,108 0.745,109 0.835,110 0.86,111 0.86,112 3.531,113 0.935,114 -3.09,115 -3.09,116 -2.97,119 41.3,120 1,124 1,125 8,140 8,141 2,142 3,144 2,156 1,169 7,171 1,172 9,178 7,181 4,182 10,189 5,192 1,193 7,199 5,202 1,203 5,211 2,214 2,215 6,222 1,225 2,226 3,236 1,237 3,248 1,249 5,259 1873,260 22.532,261 22.532,262 22.532,263 22.532,264 22.532,265 20.391,266 29.947,267 13.188,268 23.144,269 18.26,270 18.26,271 18.26,272 18.26,273 18.26,274 14.907,275 40.628,276 6.282,277 19.222,278 4.479,279 2.599,280 1.313,281 0.754,282 0.595,283 0.595,284 4.243,288 1,289 1,290 1101,291 3.082,295 489.756,299 326.015,302 2.364,303 24.857,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 71,315 495,316 4.516,317 3.793,318 6.614,319 4.071,320 3.118,321 4.458,322 2.055,323 10.454,324 2.968,325 4.402,326 3.186,327 6.517,328 4.026,329 3.054,330 3.988,331 0.933,332 10.248,333 2.967,334 3.831,335 3.107,336 5.649,337 3.636,338 2.701,339 3.17,340 0.916,341 7.779,342 2.537,343 3.718,344 2.97,345 5.52,346 3.418,347 2.454,348 3.093,349 0.86,350 7.095,351 2.351,352 3.629,353 2.718,354 5.33,355 3.288,356 2.339,357 2.754,358 0.8,359 6.751,360 2.218,361 3.442,362 2.592,363 5.288,364 3.169,365 2.218,366 2.631,367 0.51,368 6.678,369 2.103,370 3.295,371 2.339,372 4.922,373 2.893,374 1.948,375 2.564,376 0.172,377 5.724,378 1.834,379 3.078,380 2.221,381 4.813,382 2.83,383 1.878,384 2.22,386 5.291,387 1.779,388 2.989,389 2.135,390 4.619,391 2.637,392 1.69,393 2.107,395 4.629,396 1.584,397 2.966,398 1.602,399 4.196,400 2.512,401 1.524,402 2.075,404 3.817,405 1.504,406 2.491,407 1.467,408 3.548,409 2.157,410 1.228,411 1.488,413 2.714,414 1.131,415 2.202,416 1.41,417 3.527,418 1.967,419 1,420 1.145,422 2.275,423 0.965,424 2.135,425 1.146,426 3.414,427 1.876,428 0.924,429 1.077,431 2.227,432 0.873,433 2,434 1.026,435 3.316,436 1.832,437 0.865,438 1,440 2.002,441 0.833,442 1.671,443 0.967,444 3.051,445 1.327,446 0.366,447 0.422,449 0.896,450 0.347,451 15.6,452 0.473,453 0.78,454 0.024,455 41.5,456 1.258,457 19,458 0.576,459 22.5,460 0.682,461 29.32,462 0.888,463 36,464 0.571,465 30.992,466 0.939,467 8.334,468 0.253,469 7.729,470 0.234,471 0.085,473 0.333,479 0.81,480 1.523,481 0.801,482 1.229,483 0.61,484 1.045,485 1.248,486 1.053,487 0.934,488 0.862,489 0.706,490 0.835,491 1.126,492 0.983,493 1.095,494 1.001,495 0.97,496 1.028,497 0.897,498 1.14,499 1.061,500 1.192,501 0.912,502 1.164,503 0.98,504 0.878,505 0.969,506 0.925,507 0.764,508 0.946,509 0.849,510 1.109,511 1.031,512 1.093,513 0.796,514 1.095,515 0.942,516 0.913,517 0.989,518 0.891,519 0.934,520 0.931,521 0.996,522 1.063,523 1.104,524 1.103,525 0.748,526 1.116,527 6.5,528 0.182,529 3.778,530 1.938,531 1.907,532 0.764,533 0.686,534 0.392,535 0.225,536 0.223,537 19315,538 46074,539 2.15,540 47.6,542 27,546 3,550 1.743,551 2.041,552 3.819,553 -0.781,555 1,559 94.396,560 1.498,561 3.379,562 4.664,563 5.223,564 5.382,565 5.382,566 3.242,567 4.597,568 5.021,569 4.048,570 2137.58,571 8.737,572 34564.3,574 1,577 376.569,578 1.301,579 4.989,580 0.176,581 0.008,582 0.073,583 0.036,584 0.043,585 0.02,586 0.02,587 0.012,588 0.007,589 0.008,590 0.402,591 0.5,592 0.88,593 0.467,594 180.279,595 0.006,596 -0.314,597 0.089,598 -0.138,599 -0.009,600 -0.035,601 -0.108,602 0.09,603 0.045,604 0.111,605 0.016,606 0.108,607 0.013,608 0.105,609 -0.117,610 -0.016,611 0.051,612 -0.07,613 -0.013,614 -0.172,615 -0.1,616 -0.174,617 -0.006,618 -0.156,619 -0.051,620 0.041,621 0.025,622 0.05,623 -0.026,624 0.048,625 0.032,626 -0.15,627 -0.054,628 -0.109,629 -0.032,630 -0.102,631 -0.029,632 0.073,633 0.005,634 0.058,635 -0.06,636 0.04,637 -0.087,638 -0.059,639 -0.136,640 -0.109,641 -0.078,642 -0.127,643 1.676,644 4.921,645 0.788,646 37.947,647 0.998,648 1.127,649 1.862,650 3.468,651 0.655,652 3.638,653 3.97,654 4.248,655 4.5,656 4.762,657 4.779,658 4.86,659 4.977,660 5.063,661 5.088,662 8.898,663 0.62,664 446.6,665 3.638,666 5.187,667 6.043,668 6.919,669 7.786,670 8.664,671 9.536,672 10.414,673 11.288,674 12.167,675 6.3,678 2,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 63,716 18,717 2,718 37,720 67,721 26,722 15,723 6,724 6,730 5,731 7,736 1,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 7,767 7,773 4,777 0.6,778 3,786 1,793 5,797 2,806 1,815 2,819 3,823 2,827 33,833 8,835 2,838 3,847 4.8,850 1,852 2,854 16.167,855 11.967,856 7.139,857 3.84,858 3.431,859 1.406,860 0.996,861 6.495,862 11.885,863 3.861,864 4.443,865 5.006,866 5.565,867 6.131,868 6.345,869 6.618,870 6.926,871 7.151,872 6.914,873 0.9,874 54,875 12.24,877 5.193,878 7.571,879 23.945,881 19.942,883 2.071,884 68.333,887 1,888 353.133,889 143.458,890 26.158,892 47.145,895 143.458,896 400.278,897 26.158,898 17.222,899 24.943,900 75.81,901 46.635,902 52.151,904 353.133,906 353.133,907 169.617,908 47.145,911 353.133,912 47.145,915 44.918,916 107.913,917 16.786,919 353.133,920 73.303,921 143.458,924 353.133,925 50.427,926 102.405,928 63.93,929 353.133,930 73.303,931 143.458,933 0.586,934 0.344,935 0.184,936 0.104,937 26,938 11,939 0.09,940 6,941 2,942 1.154,943 4.6,944 299.719,945 0.154,946 26,947 160.465,951 22.146,952 9.678,953 4.982,954 2.043,955 73.303,956 16.322,957 4.586,961 4.761,964 569.894,965 46.5,970 11.921,974 -0.009,975 62.876,976 71.019,977 0.251,978 0.565,979 0.78,980 0.874,981 0.9,982 0.9,983 5.113,984 1.878,985 6.023,986 5.724,987 4.654,988 5.13,989 2.659,990 6.821,991 4.557,992 6.3,993 1.69,994 7.574,995 5.291,996 4.205,997 4.934,998 1.803,999 7.676,1000 4.067,1001 7.599,1002 1.524,1003 9.221,1004 4.629,1005 6.24,1006 7.301,1007 3.398,1008 10.769,1009 6.052,1010 8.93,1011 1.228,1012 10.925,1013 3.817,1014 6.594,1015 7.942,1016 3.314,1017 12.453,1018 6.367,1019 10.295,1020 1,1021 12.667,1022 2.714,1023 8.092,1024 9.805,1025 4.575,1026 15.066,1027 7.821,1028 11.682,1029 0.924,1030 14.435,1031 2.275,1032 8.834,1033 10.86,1034 4.857,1035 17.114,1036 8.524,1037 13.089,1038 0.865,1039 16.224,1040 2.227,1041 10.106,1042 12.51,1043 5.904,1044 19.557,1045 9.756,1046 3.118,1047 0.366,1048 18.028,1049 2.002,1050 11.042,1051 13.778,1052 6.371,1053 21.768,1054 10.653,1055 3.054,1056 10.454,1057 19.846,1058 0.896,1059 12.22,1060 15.333,1061 7.288,1062 24.147,1063 11.792,1064 2.701,1065 10.248,1066 21.674,1067 4.458,1068 13.251,1069 16.708,1070 7.856,1071 26.428,1072 12.784,1073 2.454,1074 7.779,1075 23.511,1076 3.988,1077 14.391,1078 18.219,1079 8.696,1080 28.782,1081 13.886,1082 2.339,1083 7.095,1084 25.355,1085 3.17,1086 15.469,1087 19.647,1088 9.324,1089 31.095,1090 14.924,1091 2.218,1092 6.751,1093 27.206,1094 3.093,1095 16.595,1096 21.141,1097 10.117,1098 33.44,1099 16.012,1100 1.948,1101 6.678,1102 29.062,1103 2.754,1104 17.695,1105 22.596,1106 10.781,1107 35.767,1108 17.073,1109 17699,1110 27493,1111 25.255,1112 41.284,1113 55.301,1114 56.737,1115 56.322,1116 55.045,1117 55.016,1118 68.847,1119 12.494,1120 158.091,1121 52.358,1122 5.516,1123 5.793,1124 6.194,1125 5.179,1126 5.118,1127 7.458,1128 3.661,1129 17.586,1130 4.968,1131 13.974,1132 1.495,1133 1.533,1134 1.522,1135 1.488,1136 1.487,1137 1.861,1138 0.338,1139 4.273,1140 1.415,1141 4.079,1142 4.106,1143 4.04,1144 4,1145 7.427,1146 4.006,1147 3.996,1148 4.027,1149 3.946,1150 3.892,1151 5.016,1152 3.9,1153 3.824,1154 3.89,1155 3.716,1156 3.623,1157 4.836,1158 3.635,1159 3.573,1160 3.62,1161 3.483,1162 3.428,1163 4.581,1164 3.425,1165 3.529,1166 3.574,1167 3.435,1168 3.356,1169 4.387,1170 3.378,1171 3.398,1172 3.462,1173 3.256,1174 3.203,1175 4.269,1176 3.206,1177 3.162,1178 3.242,1179 3.01,1180 2.958,1181 4.195,1182 2.954,1183 3.111,1184 3.206,1185 2.952,1186 2.941,1187 4.016,1188 2.915,1189 0.122,1190 0.103,1191 0.179,1192 0.11,1193 0.084,1194 4.516,1195 0.12,1196 3.793,1197 0.056,1198 6.614,1199 0.283,1200 4.071,1201 0.08,1202 3.118,1203 4.458,1204 2.055,1205 10.454,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.342,1212 2.12,1213 1.942,1214 1.916,1215 2.054,1216 2.081,1217 1.221,1218 2.074,1219 1.77,1220 1.701,1221 1.959,1222 1.991,1223 1.166,1224 1.983,1225 1.537,1226 1.492,1227 1.747,1228 1.737,1229 0.969,1230 1.736,1231 1.487,1232 1.44,1233 1.704,1234 1.676,1235 0.825,1236 1.69,1237 1.374,1238 1.31,1239 1.645,1240 1.592,1241 0.821,1242 1.614,1243 1.153,1244 1.064,1245 1.513,1246 1.426,1247 0.802,1248 1.449,1249 1.135,1250 1.056,1251 1.486,1252 1.376,1253 0.598,1254 1.429,1255 4.317,1257 5.645,1259 7.174,1261 8.795,1263 10.464,1265 3.816,1271 6.635,1273 11.653,1276 6.605,1280 39.078,1281 94.396,1282 212.851,1283 293.84,1284 329.059,1285 339.059,1286 339.059,1287 48.334,1288 8.454,1289 58.14,1290 58.14,1291 30,1292 12.704,1293 4.248,1294 3.392,1295 48.379,1296 183,1297 151,1298 0.128,1299 236.024,1300 410.47,1301 567.658,1302 72155,1304 22.786,1305 0.69,1306 0.585,1307 22.786,1308 19.289,1309 16.064,1310 0.434,1311 0.312,1312 11.339,1313 15.364,1314 11.025,1315 9.078,1316 16.064,1317 11.529,1318 14.603,1319 0.281,1320 0.169,1321 14.603,1322 8.785,1323 12.601,1324 0.183,1325 0.094,1326 12.601,1327 6.477,1328 10.323,1329 0.116,1330 0.05,1331 10.323,1332 4.485,1333 8.793,1334 0.076,1335 0.028,1336 8.793,1337 3.268,1338 0.21,1339 101.031,1340 0.199,1341 31.565,1342 0.324,1343 178,1344 491.787,1345 195.932,1346 466.655,1347 646.11,1348 442,1349 210,1350 477.757,1351 229.958,1352 481.855,1353 708.55,1354 453,1355 9.3} {0 CHEMBL401541,1 1.684,2 4.75,3 1.86,4 3.459,5 50.033,6 9.082,7 0.462,8 3.138,9 3.27,10 2.862,11 2.707,12 4.312,13 2.694,14 3.592,15 3.754,16 3.247,17 3.085,18 4.783,19 3.039,20 3.778,21 3.963,22 3.301,23 3.172,24 4.874,25 3.095,26 3.752,27 3.969,28 3.107,29 2.974,30 4.895,31 2.842,32 3.457,33 3.76,34 2.32,35 2.487,36 4.383,37 2.29,38 2.705,39 3.007,40 1.834,41 1.705,42 3.838,43 1.536,44 2.096,45 2.368,46 0.575,47 1.173,48 2.956,49 0.892,50 1.02,51 1.365,52 0.014,53 0.255,54 1.099,55 0.13,56 0.052,57 0.317,58 3.098,59 1.432,60 6.437,61 1.793,62 0.123,63 0.473,64 5.891,65 2.672,66 11.147,67 3.454,68 0.143,69 0.51,70 9.325,71 3.147,72 14.263,73 3.972,74 0.233,75 0.417,76 13.413,77 3.33,78 22.258,79 4.3,80 0.155,81 0.28,82 11.393,83 2.807,84 17.378,85 3.862,86 0.091,87 0.123,88 4.63,89 1.136,90 12.035,91 1.643,92 0.059,93 0.044,94 4.458,95 0.78,96 6.986,97 0.981,98 0.01,99 0.011,100 0.903,101 0.214,102 1.245,103 0.337,104 5,105 18,106 0.363,107 0.756,108 0.836,109 0.888,110 0.888,111 0.888,112 2.602,113 0.921,114 -3.03,115 -3.03,116 -2.92,119 40,125 1,140 3,141 1,142 2,157 1,161 1,162 1,163 1,169 2,172 1,173 1,174 2,175 1,176 2,177 1,178 5,186 1,189 2,193 3,197 4,199 1,201 2,203 1,208 1,213 1,220 2,224 2,259 86,260 8,261 8,262 8,263 8,264 8,265 6.859,266 10.527,267 4.706,268 8.265,269 6.405,270 6.405,271 6.405,272 6.405,273 6.405,274 4.808,275 14.669,276 2.224,277 6.894,278 2.638,279 0.813,280 0.438,281 0.2,282 0.2,283 0.2,284 3.233,285 1,288 1,289 1,290 119,291 1.414,295 45.609,299 39.255,302 0.792,303 9.598,306 1,307 0.67,308 0.83,309 0.6,311 1,312 1,313 0.73,314 25.833,315 57,316 4.382,317 3.374,318 6.467,319 3.984,320 3.031,321 4.028,322 1.257,323 10.011,324 2.876,325 3.686,326 2.869,327 5.209,328 3.185,329 2.292,330 2.963,331 0.533,332 6.373,333 2.03,334 3.217,335 2.247,336 4.753,337 2.742,338 1.822,339 2.446,340 0.123,341 5.07,342 1.645,343 2.898,344 1.838,345 4.104,346 2.481,347 1.503,348 2.057,350 3.663,351 1.454,352 2.078,353 1.25,354 3.352,355 1.837,356 0.929,357 1.035,359 2.112,360 0.809,361 1.11,362 0.409,363 2.462,364 0.697,365 -0.194,366 -0.217,368 -0.447,369 -0.136,370 0.935,371 0.023,372 2.285,373 0.635,374 -0.247,375 -0.298,377 -0.585,378 -0.225,379 0.503,380 -0.355,381 2.248,382 0.09,383 -0.829,384 -1.018,386 -2.207,387 -0.724,388 0.182,389 -0.774,390 1.588,391 -0.265,392 -1.189,393 -1.472,395 -3.045,396 -1.042,397 -0.101,398 -1.102,399 1.269,400 -0.59,401 -1.387,402 -1.902,404 -3.616,405 -1.194,406 -0.5,407 -1.436,408 1.084,409 -0.826,410 -1.731,411 -2.128,412 -0.331,413 -4.877,414 -1.624,415 -0.568,416 -1.603,417 0.715,418 -1,419 -2,420 -2.494,421 -0.562,422 -5.715,423 -1.869,424 -0.821,425 -2,426 0.464,427 -1.071,428 -2,429 -3,430 -1.02,431 -6.737,432 -2,451 5.914,452 0.493,453 0.315,454 0.026,455 16,456 1.333,457 8,458 0.667,459 8,460 0.667,461 6.86,462 0.572,463 12.686,464 0.634,465 8.378,466 0.698,467 3.31,468 0.276,469 2.46,470 0.205,471 0.188,473 0.338,479 0.951,480 1.182,481 0.56,482 0.702,483 1.055,484 0.708,485 0.58,486 0.889,487 0.597,488 0.798,489 0.522,490 0.839,491 1.191,492 1.168,493 0.979,494 0.966,495 1.068,496 1.009,497 1.157,498 1.147,499 1.39,500 1.359,501 1.132,502 1.292,503 1.039,504 0.82,505 1.06,506 0.939,507 1.08,508 0.949,509 0.593,510 0.866,511 0.703,512 0.941,513 0.788,514 0.956,515 2.101,516 0.517,517 2.782,518 1.694,519 2.353,520 1.53,527 2.5,529 1.556,530 0.875,531 0.707,532 0.201,533 0.04,537 771,538 2681,539 2.04,540 40,542 5,545 3,550 1.461,551 1.895,552 2.362,553 1.555,557 1,559 33.684,560 1.684,561 3.509,562 3.884,563 4.122,564 4.122,565 4.122,566 1.855,567 2.689,568 3.564,569 2.343,570 154.615,571 5.876,572 1063.57,574 1,577 86.439,578 1.459,579 3.507,580 0.192,582 0.086,583 0.051,584 0.064,585 0.04,586 0.02,590 0.455,591 1,592 1,593 0.73,594 40.711,595 -0.218,596 0.014,597 -0.02,598 0.121,599 -0.284,600 0.098,601 0.187,602 0.229,603 0.053,604 0.074,605 0.16,606 0.025,607 -0.26,608 -0.137,609 -0.107,610 -0.057,611 -0.232,612 -0.123,613 -0.026,614 -0.254,615 -0.2,616 -0.375,617 -0.042,618 -0.34,619 -0.081,620 -0.07,621 0.023,622 0.086,623 -0.044,624 0.132,625 0.375,626 -0.097,627 0.287,628 0.034,629 0.487,630 0.099,631 -0.577,632 0.056,633 -0.805,634 -0.461,635 -0.734,636 -0.368,637 0.611,638 0.413,639 0.96,640 1.163,641 0.711,642 1.406,643 1.218,644 1.829,645 0.833,646 4.167,647 1.014,648 1.134,649 1.797,650 3.229,651 0.708,652 2.639,653 2.944,654 3.178,655 3.401,656 3.584,657 3.466,658 3.219,659 3.135,660 2.944,661 1.946,662 3.043,663 0.674,664 181.64,665 2.639,666 4.143,667 4.977,668 5.844,669 6.696,670 7.567,671 8.423,672 9.295,673 10.152,674 11.024,675 15,676 1,680 1,684 1,688 3,693 3,695 6,707 1,713 1,714 20,716 7,717 1,718 13,720 21,721 8,722 6,723 3,724 3,730 2,731 3,732 1,734 1,745 7,746 1,750 1,758 1,759 1,764 8,765 3,766 3,767 4,768 1,773 3,777 0.5,793 2,797 1,812 1,819 1,824 1,827 12,828 1,833 1,834 1,846 1,854 6.333,855 3.426,856 2.639,857 1.033,858 1.612,859 1.296,860 1.015,861 1.846,862 7.059,863 2.89,864 3.481,865 3.966,866 4.482,867 4.992,868 5.049,869 5.098,870 5.333,871 5.395,872 4.31,873 1,874 17,875 4.371,876 0.006,877 1.816,878 7.815,879 8.239,880 0.002,881 6.596,882 -0.002,883 2.315,884 27.778,885 0.009,888 58.856,889 41.876,890 67.693,891 39.149,895 41.876,896 98.004,897 67.693,899 35.003,900 28.429,901 18.011,902 26.228,903 1.899,904 58.856,905 39.149,906 58.856,907 109.57,909 39.149,911 58.856,915 51.788,916 39.771,917 57.159,919 58.856,920 67.693,921 81.025,924 58.856,925 13.448,926 28.429,927 18.011,928 88.831,929 58.856,930 67.693,931 81.025,933 0.583,934 0.338,935 0.182,936 0.098,937 10,938 4,941 1,942 1.2,943 2.387,944 71.372,945 0.2,946 10,947 43.02,951 7.738,952 2.863,953 1.375,955 67.693,956 5.661,961 2.694,963 50.908,964 207.574,965 17,973 4.031,974 0.449,975 20.28,976 22.685,977 0.39,978 0.812,979 0.899,980 0.954,981 0.954,982 0.954,983 4.103,984 -0.829,985 4.963,986 -0.585,987 3.611,988 4.159,989 1.469,990 5.753,991 3.469,992 5.314,993 -1.189,994 6.512,995 -2.207,996 3.219,997 3.98,998 0.623,999 6.629,1000 2.954,1001 6.625,1002 -1.387,1003 8.163,1004 -3.045,1005 5.176,1006 6.319,1007 1.562,1008 9.713,1009 4.922,1010 7.968,1011 -1.731,1012 9.872,1013 -3.616,1014 5.565,1015 6.907,1016 1.104,1017 11.423,1018 5.2,1019 9.339,1020 -2,1021 11.621,1022 -4.877,1023 7.034,1024 8.758,1025 1.812,1026 14.029,1027 6.679,1028 10.73,1029 -2,1030 13.396,1031 -5.715,1032 7.804,1033 9.729,1034 1.569,1035 16.087,1036 7.362,1037 12.137,1039 15.192,1040 -6.737,1041 9.064,1042 11.356,1043 2.129,1044 18.514,1045 8.613,1046 3.031,1048 17.003,1050 10.017,1051 12.527,1052 2.032,1053 20.716,1054 9.495,1055 2.292,1056 10.011,1057 18.827,1059 11.187,1060 14.043,1061 2.489,1062 23.072,1063 10.64,1064 1.822,1065 6.373,1066 20.659,1067 4.028,1068 12.224,1069 15.319,1070 2.494,1071 25.333,1072 11.616,1073 1.503,1074 5.07,1075 22.5,1076 2.963,1077 13.357,1078 16.778,1079 2.879,1080 27.659,1081 12.713,1082 0.929,1083 3.663,1084 24.345,1085 2.446,1086 14.433,1087 18.108,1088 2.956,1089 29.944,1090 13.732,1091 -0.194,1092 2.112,1093 26.196,1094 2.057,1095 15.55,1096 19.537,1097 3.29,1098 32.258,1099 14.807,1100 -0.247,1101 -0.447,1102 28.049,1103 1.035,1104 16.644,1105 20.896,1106 3.417,1107 34.553,1108 15.846,1109 822,1110 1584,1111 8.553,1112 14.159,1113 19.444,1114 19.6,1115 20.079,1116 19.305,1117 19.153,1118 25.059,1119 3.826,1120 54.458,1121 17.627,1122 5.203,1123 5.374,1124 6.003,1125 5.054,1126 5.031,1127 7.028,1128 2.276,1129 16.748,1130 4.876,1131 5.04,1132 1.496,1133 1.508,1134 1.545,1135 1.485,1136 1.473,1137 1.928,1138 0.294,1139 4.189,1140 1.356,1141 3.977,1142 4.012,1143 4.044,1144 3.899,1145 5.165,1146 3.898,1147 3.473,1148 3.547,1149 3.525,1150 3.253,1151 4.898,1152 3.278,1153 3.043,1154 3.125,1155 3.231,1156 2.897,1157 4.383,1158 2.885,1159 2.847,1160 2.937,1161 2.77,1162 2.641,1163 4.169,1164 2.645,1165 2.568,1166 2.65,1167 2.587,1168 2.351,1169 3.648,1170 2.338,1171 2.287,1172 2.422,1173 2.042,1174 1.854,1175 3.263,1176 1.869,1177 1.754,1178 1.894,1179 2.011,1180 1.469,1181 3.046,1182 1.413,1183 1.504,1184 1.684,1185 1.256,1186 1.144,1187 2.252,1188 1.09,1189 0.337,1190 0.26,1191 0.497,1192 0.306,1193 0.233,1194 4.382,1195 0.31,1196 3.374,1197 0.097,1198 6.467,1199 0.77,1200 3.984,1201 0.221,1202 3.031,1203 4.028,1204 1.257,1205 10.011,1206 2.876,1207 1.934,1208 1.908,1209 2.012,1210 2.046,1211 1.176,1212 2.041,1213 1.393,1214 1.321,1215 1.574,1216 1.64,1217 0.642,1218 1.628,1219 1.01,1220 0.943,1221 1.286,1222 1.273,1223 0.249,1224 1.294,1225 0.799,1226 0.72,1227 1.063,1228 1.073,1230 1.083,1231 0.518,1232 0.435,1233 0.818,1234 0.776,1236 0.815,1237 0.227,1238 0.064,1239 0.594,1240 0.581,1242 0.601,1245 0.248,1246 0.121,1248 0.159,1251 0.118,1254 0.09,1255 3.296,1257 4.595,1259 6.116,1261 7.74,1263 9.414,1266 5.94,1269 5.495,1271 0.563,1272 2.944,1280 13.472,1281 33.684,1282 70.174,1283 77.684,1284 82.439,1285 82.439,1286 82.439,1287 11.099,1288 5.447,1289 50.41,1290 50.41,1291 12,1292 11.569,1293 3,1294 2.322,1295 17.018,1296 23,1297 18,1298 0.426,1299 89.729,1300 148.99,1301 210.698,1302 1161,1303 5,1304 8.552,1305 0.713,1306 0.591,1307 9.052,1308 7.098,1309 5.771,1310 0.444,1311 0.307,1312 3.601,1313 5.309,1314 3.493,1315 2.887,1316 6.06,1317 3.993,1318 5.25,1319 0.292,1320 0.167,1321 5.621,1322 3,1323 4.269,1324 0.186,1325 0.093,1326 4.627,1327 2.143,1328 3.519,1329 0.121,1330 0.049,1331 3.841,1332 1.412,1333 2.74,1334 0.078,1335 0.025,1336 2.935,1337 0.887,1338 0.601,1339 38.952,1340 0.342,1341 11.731,1342 1.361,1343 62,1344 179.494,1345 82.487,1346 209.095,1347 276.68,1348 194,1349 72,1350 182.074,1351 88.206,1352 195.868,1353 284.93,1354 184,1355 5.444} {0 CHEMBL401745,1 1.703,2 5.438,3 2.707,4 7.328,5 65.956,6 7.991,7 0.353,8 3.507,9 3.637,10 3.121,11 3.004,12 4.63,13 2.986,14 4.021,15 4.209,16 3.526,17 3.388,18 5.103,19 3.35,20 4.173,21 4.339,22 3.691,23 3.576,24 5.264,25 3.527,26 4.311,27 4.479,28 3.683,29 3.62,30 5.393,31 3.533,32 4.432,33 4.682,34 3.522,35 3.509,36 5.494,37 3.366,38 4.268,39 4.561,40 2.734,41 3.158,42 5.134,43 2.907,44 3.593,45 3.91,46 1.931,47 2.479,48 4.541,49 2.188,50 3.401,51 3.861,52 0.536,53 1.839,54 3.669,55 1.296,56 0.052,57 0.436,58 6.071,59 2.498,60 7.436,61 3.386,62 0.212,63 0.653,64 12.524,65 4.49,66 18.249,67 5.984,68 0.224,69 0.768,70 14.977,71 4.887,72 16.746,73 6.654,74 0.241,75 0.821,76 19.53,77 6.127,78 21.925,79 8.209,80 0.456,81 0.782,82 23.203,83 5.964,84 40.374,85 8.788,86 0.442,87 0.515,88 27.177,89 6.098,90 40.106,91 8.314,92 0.176,93 0.309,94 9.972,95 2.471,96 25.018,97 3.984,98 0.168,99 0.147,100 12.794,101 2.72,102 17.244,103 4.272,104 27,105 25,106 0.332,107 0.697,108 0.851,109 0.851,110 0.851,111 0.851,112 2.857,113 0.952,114 -3.36,115 -3.35,116 -3.2,119 36.7,120 2,124 1,127 1,140 1,141 2,142 3,157 1,161 1,162 1,163 1,169 2,172 3,173 1,174 2,175 1,176 1,177 1,178 5,182 2,184 1,186 2,189 5,193 3,197 4,199 1,201 2,202 1,203 4,205 1,206 1,208 3,211 2,213 2,220 1,224 1,231 1,235 1,259 210,260 10.37,261 10.37,262 10.37,263 10.37,264 10.37,265 9.253,266 14.891,267 5.822,268 10.81,269 8.273,270 8.273,271 8.273,272 8.273,273 8.273,274 6.524,275 21.365,276 2.638,277 8.942,278 3.204,279 1.332,280 0.542,281 0.542,282 0.542,283 0.542,284 3.494,285 1,288 1,289 1,290 176,291 2.121,295 67.471,299 58.254,302 0.813,303 14.629,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 34.833,315 87,316 4.607,317 3.575,318 6.936,319 4.242,320 3.275,321 4.308,322 1.257,323 11.628,324 3.162,325 3.836,326 3.02,327 5.861,328 3.396,329 2.488,330 3.167,331 0.86,332 7.831,333 2.265,334 3.681,335 2.792,336 5.613,337 3.344,338 2.399,339 3.001,340 0.533,341 7.278,342 2.229,343 3.352,344 2.537,345 4.988,346 2.894,347 1.988,348 2.578,349 0.123,350 5.704,351 1.771,352 2.681,353 1.926,354 4.576,355 2.49,356 1.553,357 1.694,359 4.385,360 1.441,361 2.005,362 1.53,363 3.633,364 1.721,365 0.861,366 0.945,368 1.925,369 0.704,370 1.32,371 0.843,372 3,373 0.992,374 0.162,375 0.18,377 0.254,378 0.122,379 1.055,380 0.246,381 2.681,382 0.852,383 -0.112,384 -0.122,386 -0.293,387 -0.107,388 0.889,389 0.011,390 2.451,391 0.484,392 -0.438,393 -0.517,395 -1.147,396 -0.38,397 0.455,398 -0.171,399 2.108,400 0.169,401 -0.708,402 -0.801,404 -1.658,405 -0.558,406 0.057,407 -0.613,408 1.698,409 -0.205,410 -1.078,411 -1.152,413 -2.705,414 -0.914,415 -0.165,416 -0.914,417 1.452,418 -0.482,419 -1.36,420 -1.578,422 -3.675,423 -1.179,424 -0.306,425 -1.137,426 1.294,427 -0.606,428 -1.51,429 -1.768,431 -4.109,432 -1.403,433 -0.497,434 -1.369,435 1.149,436 -0.839,437 -1.718,438 -2.194,439 -0.331,440 -5.005,441 -1.578,442 -0.5,443 -1.518,444 1.082,445 -0.88,446 -1.802,447 -2.237,448 -0.562,449 -5.989,450 -1.699,451 7.748,452 0.484,453 0.545,454 0.034,455 19,456 1.188,457 8.5,458 0.531,459 10.5,460 0.656,461 13.307,462 0.832,463 18.052,464 0.602,465 11.768,466 0.736,467 3.816,468 0.238,469 3.725,470 0.233,471 0.337,473 0.452,479 0.925,480 1.364,481 0.639,482 0.981,483 1.056,484 0.917,485 0.912,486 0.84,487 0.564,488 0.67,489 0.606,490 0.663,491 1.094,492 1.105,493 0.924,494 0.896,495 1.046,496 0.91,497 0.991,498 1.536,499 1.181,500 1.46,501 0.988,502 1.344,503 0.952,504 1.021,505 1.015,506 1.084,507 0.936,508 1.155,509 1.564,510 0.765,511 1.57,512 1.056,513 1.409,514 1.051,515 0.673,516 0.979,517 0.937,518 1.147,519 1.39,520 1.331,521 0.317,522 0.008,523 0.602,524 0.243,525 0.365,526 0.17,527 4,529 2.222,530 1.813,531 1.72,532 0.611,533 0.161,537 1499,538 4801,539 1.923,540 46.7,541 3,542 5,545 3,547 3,550 1.563,551 1.714,552 2.486,553 1.311,555 1,556 1,557 1,559 51.095,560 1.703,561 3.574,562 4.365,563 4.365,564 4.365,565 4.365,566 1.883,567 3.375,568 3.975,569 2.528,570 303.403,571 6.748,572 2597.93,574 1,576 1,577 147.207,578 1.546,579 3.873,580 0.235,582 0.089,583 0.065,584 0.069,585 0.036,586 0.023,590 0.517,591 0.83,592 1,593 1.024,594 61.701,595 -0.121,596 -0.081,597 0.003,598 -0.002,599 -0.233,600 0.03,601 0.063,602 0.27,603 0.191,604 0.297,605 0.196,606 0.294,607 -0.126,608 0.08,609 -0.043,610 0.087,611 -0.166,612 0.032,613 -0.023,614 -0.453,615 -0.183,616 -0.433,617 -0.068,618 -0.369,619 0.06,620 -0.047,621 -0.066,622 -0.172,623 0.064,624 -0.23,625 -0.278,626 -0.074,627 -0.241,628 -0.043,629 -0.197,630 -0.053,631 -0.017,632 -0.086,633 -0.153,634 -0.303,635 -0.218,636 -0.402,637 0.311,638 0.392,639 0.566,640 0.707,641 0.414,642 0.923,643 1.344,644 2.033,645 0.625,646 7.625,647 1.009,648 1.138,649 2.133,650 4.55,651 0.663,652 2.89,653 3.258,654 3.555,655 3.85,656 4.078,657 4.06,658 3.932,659 3.738,660 3.611,661 3.178,662 3.53,663 0.626,664 239.73,665 2.89,666 4.443,667 5.313,668 6.225,669 7.119,670 8.033,671 8.934,672 9.847,673 10.75,674 11.663,675 10,676 1,680 1,684 1,688 1,693 5,695 6,707 1,712 1,713 1,714 30,716 7,717 1,718 17,720 31,721 11,722 6,723 5,724 1,730 2,731 3,732 1,734 1,736 2,740 1,743 1,745 7,746 4,750 1,758 1,759 1,761 1,764 14,765 4,766 3,767 5,768 1,773 3,777 0.5,778 1,793 2,797 1,812 1,819 1,823 3,824 1,827 16,828 1,834 1,835 1,837 1,846 1,847 3.3,852 1,854 9.333,855 6.26,856 3.556,857 1.652,858 1.625,859 1.27,860 0.953,861 2.992,862 7.644,863 3.091,864 3.726,865 4.287,866 4.849,867 5.382,868 5.586,869 5.705,870 5.779,871 5.919,872 5.539,873 0.75,874 28,875 5.858,877 2.412,878 7.778,879 11.08,881 8.815,883 2.278,884 36.444,885 0.002,888 129.482,889 57.781,890 67.693,891 39.149,892 11,895 57.781,896 179.631,897 67.693,898 28.533,899 32.897,900 9.476,901 18.011,902 45.657,903 1.899,904 129.482,905 39.149,906 129.482,907 125.474,908 11,909 39.149,911 94.169,912 46.313,915 67.333,916 40.13,917 57.159,919 129.482,920 78.693,921 96.929,924 129.482,925 19.771,926 38.01,927 18.011,928 99.831,929 129.482,930 78.693,931 96.929,933 0.594,934 0.369,935 0.209,936 0.119,937 13,938 7,939 0.032,940 1,941 1,942 1.2,943 2.607,944 112.389,945 0.2,946 10,947 64,951 11.547,952 4.146,953 1.884,955 78.693,956 1.786,961 4.284,963 50.908,964 305.105,965 21,973 4.27,974 0.403,975 30.258,976 34.14,977 0.347,978 0.728,979 0.89,980 0.89,981 0.89,982 0.89,983 4.363,984 -0.112,985 5.352,986 0.254,987 3.932,988 4.407,989 1.762,990 6.24,991 3.793,992 5.61,993 -0.438,994 6.971,995 -0.293,996 3.761,997 4.46,998 0.623,999 7.298,1000 3.566,1001 6.958,1002 -0.708,1003 8.687,1004 -1.147,1005 5.602,1006 6.643,1007 1.769,1008 10.44,1009 5.375,1010 8.339,1011 -1.078,1012 10.457,1013 -1.658,1014 6.176,1015 7.437,1016 1.104,1017 12.291,1018 5.908,1019 9.747,1020 -1.36,1021 12.262,1022 -2.705,1023 7.574,1024 9.181,1025 1.936,1026 14.994,1027 7.284,1028 11.175,1029 -1.51,1030 14.09,1031 -3.675,1032 8.486,1033 10.32,1034 1.569,1035 17.196,1036 8.166,1037 12.62,1038 -1.718,1039 15.938,1040 -4.109,1041 9.731,1042 11.897,1043 2.198,1044 19.742,1045 9.389,1046 3.275,1047 -1.802,1048 17.8,1049 -5.005,1050 10.795,1051 13.203,1052 2.032,1053 22.094,1054 10.427,1055 2.488,1056 11.628,1057 19.675,1058 -5.989,1059 11.99,1060 14.712,1061 2.525,1062 24.582,1063 11.598,1064 2.399,1065 7.831,1066 21.56,1067 4.308,1068 13.122,1069 16.099,1070 2.494,1071 26.994,1072 12.701,1073 1.988,1074 7.278,1075 23.454,1076 3.167,1077 14.304,1078 17.58,1079 2.897,1080 29.461,1081 13.856,1082 1.553,1083 5.704,1084 25.354,1085 3.001,1086 15.465,1087 19.005,1088 2.956,1089 31.898,1090 14.987,1091 0.861,1092 4.385,1093 27.261,1094 2.578,1095 16.646,1096 20.474,1097 3.299,1098 34.356,1099 16.138,1100 0.162,1101 1.925,1102 29.173,1103 1.694,1104 17.82,1105 21.917,1106 3.417,1107 36.803,1108 17.28,1109 1629,1110 2978,1111 10.463,1112 19.898,1113 25.669,1114 26.566,1115 28.035,1116 25.394,1117 25.452,1118 31.748,1119 5.546,1120 78.01,1121 23.389,1122 5.434,1123 5.575,1124 6.458,1125 5.314,1126 5.275,1127 7.308,1128 2.276,1129 19.129,1130 5.162,1131 9.794,1132 1.51,1133 1.563,1134 1.649,1135 1.494,1136 1.497,1137 1.868,1138 0.326,1139 4.589,1140 1.376,1141 4.018,1142 4.046,1143 4.071,1144 3.938,1145 5.165,1146 3.942,1147 3.542,1148 3.604,1149 3.626,1150 3.359,1151 4.932,1152 3.37,1153 3.34,1154 3.402,1155 3.269,1156 3.121,1157 4.597,1158 3.13,1159 3.191,1160 3.294,1161 3.103,1162 2.92,1163 4.377,1164 2.924,1165 3.031,1166 3.134,1167 2.93,1168 2.813,1169 3.969,1170 2.785,1171 2.802,1172 2.889,1173 2.764,1174 2.631,1175 3.842,1176 2.627,1177 2.488,1178 2.594,1179 2.411,1180 2.275,1181 3.628,1182 2.241,1183 2.276,1184 2.39,1185 2.129,1186 1.9,1187 3.375,1188 1.896,1189 0.271,1190 0.21,1191 0.408,1192 0.25,1193 0.193,1194 4.607,1195 0.253,1196 3.575,1197 0.074,1198 6.936,1199 0.684,1200 4.242,1201 0.186,1202 3.275,1203 4.308,1204 1.257,1205 11.628,1206 3.162,1207 1.963,1208 1.943,1209 2.036,1210 2.075,1211 1.261,1212 2.066,1213 1.483,1214 1.423,1215 1.711,1216 1.702,1217 0.839,1218 1.702,1219 1.292,1220 1.229,1221 1.609,1222 1.567,1223 0.633,1224 1.582,1225 1.157,1226 1.055,1227 1.487,1228 1.474,1229 0.529,1230 1.495,1231 1.051,1232 0.952,1233 1.379,1234 1.308,1235 0.298,1236 1.353,1237 0.733,1238 0.666,1239 1.027,1240 1.037,1241 0.011,1242 1.049,1243 0.479,1244 0.39,1245 0.817,1246 0.772,1248 0.803,1249 0.199,1250 0.057,1251 0.516,1252 0.515,1254 0.519,1255 3.555,1257 4.905,1259 6.472,1261 8.15,1263 9.887,1265 5.556,1266 6.144,1269 5.702,1272 3.022,1273 5.288,1275 -0.01,1280 18.767,1281 51.095,1282 107.233,1283 130.942,1284 130.942,1285 130.942,1286 130.942,1287 21.802,1288 6.019,1289 59.64,1290 59.64,1291 12,1292 12.178,1293 3,1294 2.322,1295 25.581,1296 35,1297 30,1298 0.411,1299 122.502,1300 209.68,1301 290.664,1302 2295,1303 3.3,1304 11.87,1305 0.742,1306 0.639,1307 12.37,1308 10.221,1309 7.541,1310 0.444,1311 0.317,1312 4.961,1313 6.929,1314 4.691,1315 3.934,1316 7.83,1317 5.393,1318 7.035,1319 0.281,1320 0.168,1321 7.406,1322 4.197,1323 5.909,1324 0.174,1325 0.093,1326 6.29,1327 3.152,1328 5.062,1329 0.11,1330 0.048,1331 5.325,1332 2.191,1333 3.999,1334 0.069,1335 0.025,1336 4.336,1337 1.432,1338 0.583,1339 50.641,1340 0.309,1341 15.341,1342 1.334,1343 84,1344 249.229,1345 107.699,1346 270.412,1347 362.1,1348 252,1349 101,1350 246.972,1351 120.585,1352 261.534,1353 383.5,1354 244,1355 6.845} {0 CHEMBL402143,1 1.519,2 13.586,3 4.421,4 19.546,5 109.922,6 6.992,7 0.387,8 4.137,9 4.253,10 3.632,11 3.627,12 5.198,13 3.603,14 4.721,15 4.902,16 3.946,17 4.013,18 5.741,19 3.965,20 5,21 5.216,22 4.065,23 4.188,24 6.029,25 4.106,26 5.09,27 5.317,28 4.003,29 4.22,30 6.04,31 4.107,32 5.153,33 5.403,34 3.981,35 4.22,36 6.072,37 4.097,38 5.11,39 5.356,40 3.926,41 4.186,42 6.058,43 4.059,44 5.084,45 5.347,46 3.784,47 4.108,48 5.988,49 3.956,50 4.999,51 5.295,52 3.59,53 3.938,54 5.947,55 3.766,56 0.051,57 0.901,58 13.002,59 6.042,60 13.263,61 7.613,62 0.331,63 1.442,64 25.521,65 9.618,66 40.59,67 12.518,68 0.664,69 1.738,70 34.897,71 12.627,72 72.581,73 16.924,74 0.554,75 1.736,76 38.106,77 13.849,78 72.437,79 18.942,80 0.74,81 1.768,82 41.519,83 14.099,84 79.942,85 19.776,86 0.72,87 1.808,88 39.892,89 13.755,90 86.183,91 18.877,92 0.69,93 1.737,94 39.253,95 13.341,96 81.685,97 18.567,98 0.776,99 1.553,100 37.203,101 12.01,102 109.588,103 16.944,104 23,105 41,106 0.251,107 0.558,108 0.785,109 0.845,110 0.853,111 0.853,112 3.407,113 0.98,114 -4.83,115 -4.74,116 -4.45,119 39.7,121 3,122 1,124 1,125 5,127 1,140 7,141 2,142 3,169 10,172 5,176 2,178 10,181 1,182 6,186 3,189 8,193 5,195 1,197 1,199 5,203 6,206 2,208 1,211 6,215 3,222 7,225 1,226 1,231 1,233 7,236 1,237 1,242 1,244 4,249 1,254 2,256 4,259 1448,260 19.861,261 19.861,262 19.861,263 19.861,264 19.861,265 18.358,266 23.451,267 11.977,268 20.432,269 15.175,270 15.175,271 15.175,272 15.175,273 15.175,274 12.894,275 24.941,276 5.528,277 16.055,278 4.339,279 2.488,280 1.115,281 0.75,282 0.703,283 0.703,284 4.091,288 1,289 1,290 827,291 3.536,295 325.465,302 2.181,303 37.357,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64.5,315 394,316 4.434,317 3.469,318 6.741,319 4.115,320 3.15,321 4.058,322 0.86,323 10.93,324 3.039,325 4.015,326 3.011,327 6.042,328 3.683,329 2.726,330 3.615,331 0.86,332 8.564,333 2.612,334 3.81,335 2.95,336 5.459,337 3.598,338 2.62,339 2.935,340 0.8,341 7.274,342 2.557,343 3.506,344 2.804,345 5.327,346 3.317,347 2.391,348 2.723,349 0.765,350 6.847,351 2.205,352 3.372,353 2.523,354 5.104,355 3.029,356 2.08,357 2.516,359 5.877,360 1.953,361 3.084,362 2.37,363 4.876,364 2.859,365 1.915,366 2.151,368 5.641,369 1.8,370 2.917,371 2.025,372 4.25,373 2.471,374 1.53,375 2.086,377 3.642,378 1.439,379 2.504,380 1.881,381 3.739,382 2.354,383 1.439,384 1.505,386 2.92,387 1.288,388 2.5,389 1.458,390 3.449,391 2,392 1.06,393 1.5,395 2.347,396 1,397 2.161,398 1.098,399 3.414,400 1.984,401 1,402 1.14,404 2.275,405 0.983,406 2,407 1.077,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.968,415 1.844,416 1,417 3.204,418 1.689,419 0.74,420 0.797,422 1.66,423 0.695,424 1.662,425 0.994,426 2.916,427 1.415,428 0.522,429 0.579,431 0.99,432 0.461,433 1.323,434 0.922,435 2.473,436 1.046,437 0.23,438 0.246,440 0.336,441 0.184,442 1.111,443 0.388,444 2.416,445 0.833,446 -0.097,447 -0.11,449 -0.215,450 -0.088,451 13.471,452 0.465,453 0.554,454 0.019,455 31,456 1.069,457 13,458 0.448,459 18,460 0.621,461 28.546,462 0.984,463 33.929,464 0.585,465 23.625,466 0.815,467 6.272,468 0.216,469 7.846,470 0.271,471 0.104,473 0.29,474 1,477 1,479 0.704,480 1.137,481 0.822,482 1.232,483 0.625,484 1.096,485 1.015,486 0.982,487 1.004,488 1.028,489 0.774,490 1.009,491 0.823,492 0.91,493 0.97,494 1.039,495 0.749,496 1.036,497 0.771,498 0.893,499 0.991,500 1.135,501 0.693,502 1.129,503 0.768,504 0.761,505 0.932,506 0.948,507 0.583,508 0.983,509 0.876,510 0.912,511 1.04,512 1.045,513 0.785,514 1.08,515 0.843,516 0.887,517 1.031,518 1.039,519 0.807,520 1.083,521 0.821,522 0.867,523 0.93,524 0.888,525 0.896,526 0.93,527 5,528 0.132,529 3.333,530 1.563,531 1.658,532 0.972,533 0.484,534 0.403,535 0.271,536 0.151,537 11341,538 33369,539 2.033,540 50,542 21,545 1,547 7,550 1.715,551 1.912,552 3.678,553 -0.371,555 1,559 88.085,560 1.519,561 3.37,562 4.743,563 5.108,564 5.155,565 5.155,566 3.25,567 4.582,568 4.824,569 3.856,570 1565.68,571 8.383,572 22114.4,574 1,576 1,577 339.763,578 1.358,579 4.792,580 0.161,581 0.007,582 0.081,583 0.036,584 0.041,585 0.025,586 0.013,587 0.013,588 0.011,589 0.007,590 0.396,591 0.33,592 1,593 1.163,594 150.228,595 -0.031,596 -0.087,597 0.038,598 -0.05,599 -0.039,600 -0.001,601 -0.127,602 0.02,603 -0.068,604 0.023,605 -0.045,606 0.003,607 0.045,608 0.035,609 -0.025,610 -0.023,611 0.032,612 -0.033,613 -0.005,614 -0.101,615 -0.067,616 -0.137,617 -0.01,618 -0.122,619 0.005,620 -0.042,621 0.006,622 0.002,623 0.013,624 -0.001,625 -0.023,626 -0.057,627 -0.088,628 -0.071,629 -0.031,630 -0.093,631 -0.015,632 -0.054,633 -0.077,634 -0.083,635 -0.044,636 -0.1,637 0.049,639 0.05,640 0.037,641 0.032,642 0.039,643 2.077,644 5.013,645 0.621,646 33.786,647 1.006,648 1.139,649 3.596,650 12.93,651 0.632,652 3.466,653 3.738,654 3.989,655 4.19,656 4.407,657 4.369,658 4.407,659 4.489,660 4.585,661 4.575,662 7.647,663 0.601,664 405.53,665 3.466,666 4.977,667 5.808,668 6.661,669 7.512,670 8.37,671 9.229,672 10.091,673 10.953,674 11.819,675 1.7,678 1,688 7,693 5,695 12,712 2,713 1,714 58,716 12,717 2,718 31,720 60,721 23,722 12,723 5,724 7,727 1,730 3,731 3,736 1,740 2,741 1,743 4,745 12,746 11,747 1,761 1,762 2,764 29,765 6,766 1,767 6,773 1,777 1,778 3,780 1,793 3,815 1,817 1,819 3,823 1,825 2,827 29,832 1,833 8,835 2,837 2,838 1,846 2,847 5.2,848 1,852 2,854 15.167,855 10.269,856 6.694,857 3.529,858 2.034,859 1.279,860 0.917,861 8.136,862 9.336,863 3.638,864 4.127,865 4.615,866 5.067,867 5.529,868 5.477,869 5.567,870 5.704,871 5.849,872 5.903,873 1,874 44,875 10.83,877 4.558,878 7.914,879 20.685,881 16.911,883 2.414,884 70,886 1,887 1,888 329.591,889 130.179,890 3.124,892 64.683,893 29.92,895 130.179,896 394.274,897 33.045,898 10.883,899 26.983,900 109.017,902 51.103,903 29.92,904 329.591,906 329.591,907 133.303,908 94.603,911 277.113,912 104.397,913 42.683,915 30.107,916 103.196,919 359.511,920 67.807,921 130.179,924 329.591,925 52.962,926 80.341,928 94.603,929 329.591,930 97.728,931 130.179,933 0.563,934 0.334,935 0.178,936 0.101,937 17,938 8,939 0.133,940 8,942 1,943 4.103,944 238.648,946 18,947 132.881,951 21.855,952 10.796,953 5.832,955 97.728,956 12.015,961 2.542,963 42.683,964 557.497,965 37,975 58.363,976 66.034,977 0.259,978 0.575,979 0.81,980 0.872,981 0.88,982 0.88,983 4.86,984 1.439,985 5.765,986 3.642,987 4.419,988 4.812,989 1.806,990 6.535,991 4.32,992 6.005,993 1.06,994 7.3,995 2.92,996 3.892,997 4.46,998 0.325,999 7.398,1000 3.737,1001 7.276,1002 1,1003 8.939,1004 2.347,1005 5.969,1006 6.86,1007 1.466,1008 10.482,1009 5.797,1010 8.581,1011 1,1012 10.64,1013 2.275,1014 6.293,1015 7.349,1016 0.268,1017 12.21,1018 6.065,1019 9.922,1020 0.74,1021 12.384,1022 2.275,1023 7.8,1024 9.227,1025 1.19,1026 14.824,1027 7.563,1028 11.287,1029 0.522,1030 14.157,1031 1.66,1032 8.528,1033 10.119,1034 0.188,1035 16.917,1036 8.238,1037 12.671,1038 0.23,1039 15.953,1040 0.99,1041 9.8,1042 11.768,1043 0.955,1044 19.38,1045 9.497,1046 3.15,1047 -0.097,1048 17.767,1049 0.336,1050 10.729,1051 12.874,1052 0.125,1053 21.635,1054 10.377,1055 2.726,1056 10.93,1057 19.595,1058 -0.215,1059 11.904,1060 14.405,1061 0.756,1062 24.049,1063 11.533,1064 2.62,1065 8.564,1066 21.434,1067 4.058,1068 12.932,1069 15.632,1070 0.082,1071 26.376,1072 12.518,1073 2.391,1074 7.274,1075 23.284,1076 3.615,1077 14.071,1078 17.1,1079 0.59,1080 28.772,1081 13.632,1082 2.08,1083 6.847,1084 25.142,1085 2.935,1086 15.151,1087 18.395,1088 0.054,1089 31.132,1090 14.671,1091 1.915,1092 5.877,1093 27.007,1094 2.723,1095 16.279,1096 19.828,1097 0.454,1098 33.523,1099 15.77,1100 1.53,1101 5.641,1102 28.878,1103 2.516,1104 17.385,1105 21.164,1106 0.035,1107 35.899,1108 16.838,1109 11119,1110 19169,1111 20.572,1112 36.665,1113 44.844,1114 46.379,1115 47.096,1116 44.803,1117 44.809,1118 53.7,1119 6.569,1120 123.157,1121 42.368,1122 5.434,1123 5.469,1124 6.604,1125 5.15,1126 5.15,1127 7.058,1128 1.72,1129 18.301,1130 5.039,1131 14.523,1132 1.447,1133 1.496,1134 1.519,1135 1.445,1136 1.445,1137 1.732,1138 0.212,1139 3.973,1140 1.367,1141 4.005,1142 4.039,1143 3.938,1144 3.909,1145 8.202,1146 3.911,1147 3.919,1148 3.944,1149 3.863,1150 3.848,1151 8.195,1152 3.847,1153 3.801,1154 3.848,1155 3.697,1156 3.668,1157 6.449,1158 3.667,1159 3.51,1160 3.57,1161 3.382,1162 3.285,1163 4.9,1164 3.293,1165 3.416,1166 3.481,1167 3.281,1168 3.239,1169 4.641,1170 3.239,1171 3.249,1172 3.315,1173 3.065,1174 2.997,1175 4.452,1176 3,1177 3.165,1178 3.22,1179 3.036,1180 2.949,1181 4.311,1182 2.958,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.257,1188 2.91,1189 0.143,1190 0.112,1191 0.217,1192 0.133,1193 0.102,1194 4.434,1195 0.131,1196 3.469,1197 0.028,1198 6.741,1199 0.353,1200 4.115,1201 0.098,1202 3.15,1203 4.058,1204 0.86,1205 10.93,1206 3.039,1207 1.947,1208 1.92,1209 2.095,1210 2.079,1211 1.467,1212 2.086,1213 1.908,1214 1.884,1215 2.023,1216 2.006,1217 1.224,1218 2.01,1219 1.783,1220 1.736,1221 1.939,1222 1.934,1223 1.097,1224 1.937,1225 1.443,1226 1.383,1227 1.709,1228 1.709,1229 0.935,1230 1.708,1231 1.4,1232 1.335,1233 1.655,1234 1.604,1235 0.874,1236 1.623,1237 1.198,1238 1.126,1239 1.573,1240 1.512,1241 0.825,1242 1.532,1243 1.153,1244 1.07,1245 1.513,1246 1.376,1247 0.628,1248 1.429,1249 1.127,1250 1.064,1251 1.387,1252 1.369,1253 0.574,1254 1.375,1255 4.143,1257 5.425,1259 6.913,1261 8.494,1263 10.122,1265 1.534,1267 25.466,1270 10.964,1271 4.757,1273 10.869,1275 -0.527,1276 2.38,1280 34.834,1281 88.085,1282 195.466,1283 275.092,1284 296.253,1285 299.008,1286 299.008,1287 71.91,1288 7.302,1289 41.93,1290 41.93,1291 18,1292 12.366,1293 3.7,1294 2.807,1295 52.767,1296 132,1297 144,1298 0.193,1299 212.829,1300 381.25,1301 511.063,1302 15238,1303 3.4,1304 20.64,1305 0.712,1306 0.58,1307 19.062,1308 16.82,1309 14.118,1310 0.455,1311 0.327,1312 9.94,1313 13.407,1314 9.75,1315 8.006,1316 13.224,1317 10.126,1318 11.912,1319 0.291,1320 0.181,1321 10.937,1322 7.416,1323 10.097,1324 0.191,1325 0.105,1326 9.417,1327 5.576,1328 7.949,1329 0.122,1330 0.06,1331 7.711,1332 3.931,1333 6.559,1334 0.081,1335 0.036,1336 6.117,1337 2.882,1338 0.311,1339 89.846,1340 0.22,1341 28.11,1342 0.508,1343 144,1344 525.488,1345 161.104,1346 439.586,1347 571.61,1348 414,1349 166,1350 378.385,1351 182.76,1352 372.868,1353 545.33,1354 350,1355 6.151} {0 CHEMBL402179,1 1.46,2 6.353,3 2.715,4 7.369,5 70.05,6 6.482,7 0.333,8 3.659,9 3.802,10 3.104,11 3.118,12 4.664,13 3.084,14 4.203,15 4.418,16 3.453,17 3.469,18 5.167,19 3.417,20 4.407,21 4.628,22 3.508,23 3.59,24 5.351,25 3.528,26 4.402,27 4.634,28 3.444,29 3.607,30 5.299,31 3.52,32 4.44,33 4.68,34 3.329,35 3.61,36 5.332,37 3.478,38 4.464,39 4.748,40 2.98,41 3.514,42 5.211,43 3.318,44 4.323,45 4.64,46 2.604,47 3.277,48 4.994,49 3.026,50 4.047,51 4.404,52 1.823,53 2.866,54 4.673,55 2.548,56 0.038,57 0.523,58 8.715,59 3.088,60 8.113,61 4.662,62 0.192,63 0.784,64 15.576,65 5.093,66 19.432,67 7.594,68 0.297,69 0.9,70 19.464,71 5.528,72 27.014,73 8.671,74 0.189,75 0.924,76 19.012,77 5.672,78 21.775,79 9.065,80 0.279,81 0.917,82 19.725,83 6.32,84 26.497,85 9.83,86 0.222,87 0.841,88 20.107,89 6.499,90 24.638,91 10.09,92 0.166,93 0.679,94 17.303,95 5.69,96 21.281,97 8.942,98 0.167,99 0.477,100 13.239,101 3.697,102 18.602,103 6.302,104 22,105 25,106 0.272,107 0.604,108 0.757,109 0.825,110 0.825,111 0.825,112 2.91,113 0.989,114 -3.37,115 -3.35,116 -3.21,119 36.1,120 3,124 1,127 2,140 3,141 1,142 2,157 1,169 3,172 5,174 2,175 1,176 1,178 4,182 3,184 1,186 2,189 2,193 2,197 4,199 3,202 1,203 2,206 1,208 4,211 5,220 1,222 2,226 2,231 2,233 2,259 304,260 11.232,261 11.232,262 11.232,263 11.232,264 11.232,265 10.272,266 17.405,267 6.601,268 11.587,269 8.826,270 8.826,271 8.826,272 8.826,273 8.826,274 7.267,275 24.813,276 3.049,277 9.378,278 3.71,279 1.932,280 1.112,281 0.751,282 0.751,283 0.751,284 3.558,287 1,288 1,289 1,290 218,291 2.739,295 75.725,299 65.236,302 0.962,303 10.668,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 36.5,315 108,316 4.468,317 3.467,318 6.691,319 4.119,320 3.155,321 4.089,322 1.284,323 10.825,324 3.044,325 3.797,326 2.982,327 5.69,328 3.422,329 2.5,330 3.089,331 0.86,332 7.573,333 2.304,334 3.49,335 2.679,336 5.266,337 3.158,338 2.231,339 2.691,340 0.553,341 6.598,342 2.059,343 3.054,344 2.304,345 4.753,346 2.948,347 2.002,348 2.069,349 0.247,350 5.141,351 1.881,352 2.873,353 1.632,354 4.248,355 2.417,356 1.441,357 2.027,359 3.805,360 1.405,361 2.533,362 1.427,363 3.821,364 2.273,365 1.308,366 1.537,368 3.081,369 1.256,370 1.613,371 0.921,372 2.991,373 1.43,374 0.519,375 0.55,377 0.925,378 0.472,379 1.353,380 0.408,381 2.68,382 0.999,383 0.074,384 0.087,386 0.151,387 0.068,388 0.902,389 -0.011,390 2.543,391 0.569,392 -0.368,393 -0.43,395 -0.933,396 -0.342,397 0.701,398 -0.265,399 2.282,400 0.382,401 -0.571,402 -0.667,404 -1.496,405 -0.542,406 0.35,407 -0.682,408 2,409 0.036,410 -0.915,411 -1,413 -2,414 -0.866,416 -0.919,417 1.562,419 -1,420 -1.072,422 -2.278,423 -1,424 -0.038,425 -1,426 1.364,427 -0.235,428 -1.18,429 -1.34,431 -3.135,432 -1.109,433 -0.358,434 -1.217,435 1.115,436 -0.598,437 -1.564,438 -1.835,440 -4.356,441 -1.475,442 -0.5,443 -1.297,444 1.047,445 -0.837,446 -1.743,447 -2.069,448 -0.405,449 -5.009,450 -1.565,451 8.033,452 0.473,453 0.473,454 0.028,455 19.5,456 1.147,457 8.5,458 0.5,459 11,460 0.647,461 13.959,462 0.821,463 19.567,464 0.544,465 12.133,466 0.714,467 3.767,468 0.222,469 4.346,470 0.256,471 0.249,473 0.373,479 1.002,480 1.53,481 0.945,482 1.277,483 1.152,484 1.122,485 1.038,486 0.995,487 0.826,488 0.974,489 0.81,490 0.888,491 1.74,492 1.058,493 1.057,494 0.884,495 1.492,496 0.894,497 1.292,498 1.171,499 1.095,500 1.066,501 1.179,502 1.047,503 0.98,504 1.16,505 1.185,506 1.207,507 0.94,508 1.22,509 1.086,510 0.999,511 1.181,512 1.105,513 1.13,514 1.152,515 0.742,516 1.034,517 1.016,518 1.093,519 0.812,520 1.099,521 0.779,522 0.738,523 1.134,524 0.908,525 1.13,526 1.023,527 4,529 1.778,530 1.313,531 1.338,532 0.528,533 0.386,534 0.146,537 1932,538 4234,539 1.96,540 52.8,542 8,545 2,547 9,550 1.578,551 1.789,552 2.718,553 0.411,555 1,556 1,557 1,559 52.546,560 1.46,561 3.237,562 4.058,563 4.419,564 4.419,565 4.419,566 2.162,567 3.735,568 4.058,569 2.794,570 379.945,571 6.901,572 3395.06,573 1,574 1,576 1,577 186.117,578 1.549,579 3.989,580 0.222,582 0.071,583 0.05,584 0.056,585 0.026,586 0.03,587 0.018,590 0.474,591 0.83,592 1,593 1.335,594 68.644,595 -0.036,596 -0.216,597 0.051,598 -0.097,599 -0.2,600 -0.021,601 0.164,602 0.135,603 0.19,604 0.065,605 0.283,606 0.12,607 -0.141,608 0.007,609 -0.004,610 0.102,611 -0.137,612 0.067,613 -0.162,614 -0.066,615 -0.091,616 -0.063,617 -0.127,618 -0.062,619 0.048,620 -0.095,621 -0.204,622 -0.193,623 0.028,624 -0.226,625 -0.161,626 -0.063,627 -0.226,628 -0.134,629 -0.218,630 -0.182,631 -0.028,632 -0.193,633 -0.091,634 -0.143,635 0.02,636 -0.133,637 -0.13,638 0.088,639 -0.204,640 -0.07,641 -0.238,642 -0.128,643 1.19,644 2.308,645 0.588,646 9.744,647 0.992,648 1.14,649 2.137,650 4.566,651 0.627,652 2.944,653 3.258,654 3.497,655 3.784,656 4.025,657 4.025,658 4.043,659 3.892,660 3.829,661 3.332,662 4.044,663 0.583,664 233.35,665 2.944,666 4.466,667 5.303,668 6.188,669 7.055,670 7.947,671 8.825,672 9.718,673 10.601,674 11.494,675 8.3,677 1,680 1,684 1,688 3,693 3,695 6,707 1,712 1,714 36,716 7,717 1,718 18,720 37,721 13,722 6,723 3,724 3,730 2,731 3,734 1,736 3,740 1,743 2,745 7,746 6,750 1,758 1,759 1,761 1,764 19,765 4,766 2,767 4,773 3,777 0.5,778 1,793 2,797 1,814 1,819 1,823 4,827 17,834 2,835 1,837 2,847 2.8,852 1,854 9.5,855 7.533,856 3.833,857 2.249,858 1.628,859 1.266,860 0.932,861 3.574,862 7.746,863 3.135,864 3.676,865 4.186,866 4.731,867 5.251,868 5.416,869 5.669,870 5.836,871 5.975,872 5.603,873 1,874 26,875 6.263,877 2.512,878 7.549,879 12.157,881 9.544,883 2.049,884 34.833,885 0.003,888 200.109,889 76.386,890 52.807,892 11,895 76.386,896 211.109,897 52.807,898 34.872,900 46.439,901 18.011,902 38.971,903 1.899,904 200.109,906 200.109,907 129.193,908 11,911 94.169,912 116.94,915 61.272,916 49.91,917 18.011,919 200.109,920 63.807,921 76.386,924 200.109,925 13.085,926 63.301,927 36.022,928 27.785,929 200.109,930 63.807,931 76.386,933 0.575,934 0.329,935 0.189,936 0.114,937 12,938 6,939 0.081,940 3,941 1,942 1.2,943 2.802,944 117.541,945 0.2,946 10,947 67.487,951 12.242,952 4.963,953 2.548,955 63.807,956 6.071,961 3.071,963 36.022,964 340.301,965 22,973 4.501,974 0.782,975 35.702,976 41.026,977 0.282,978 0.626,979 0.785,980 0.855,981 0.855,982 0.855,983 4.376,984 0.074,985 5.303,986 0.925,987 3.932,988 4.357,989 1.815,990 6.125,991 3.82,992 5.569,993 -0.368,994 6.87,995 0.151,996 3.611,997 4.182,998 0.623,999 7.066,1000 3.459,1001 6.871,1002 -0.571,1003 8.537,1004 -0.933,1005 5.525,1006 6.47,1007 1.832,1008 10.171,1009 5.312,1010 8.208,1011 -0.915,1012 10.263,1013 -1.496,1014 5.969,1015 7.077,1016 1.178,1017 11.932,1018 5.726,1019 9.577,1020 -1,1021 12.026,1022 -2,1023 7.41,1024 8.897,1025 2.029,1026 14.581,1027 7.122,1028 10.969,1029 -1.18,1030 13.817,1031 -2.278,1032 8.223,1033 9.893,1034 1.7,1035 16.699,1036 7.911,1037 12.381,1038 -1.564,1039 15.629,1040 -3.135,1041 9.475,1042 11.503,1043 2.333,1044 19.182,1045 9.128,1046 3.155,1047 -1.743,1048 17.456,1049 -4.356,1050 10.467,1051 12.7,1052 2.213,1053 21.454,1054 10.095,1055 2.5,1056 10.825,1057 19.297,1058 -5.009,1059 11.646,1060 14.208,1061 2.709,1062 23.875,1063 11.243,1064 2.231,1065 7.573,1066 21.149,1067 4.089,1068 12.722,1069 15.507,1070 2.722,1071 26.21,1072 12.291,1073 2.002,1074 6.598,1075 23.009,1076 3.089,1077 13.875,1078 16.966,1079 3.13,1080 28.607,1081 13.414,1082 1.441,1083 5.141,1084 24.876,1085 2.691,1086 14.989,1087 18.317,1088 3.229,1089 30.969,1090 14.497,1091 1.308,1092 3.805,1093 26.749,1094 2.069,1095 16.136,1096 19.752,1097 3.581,1098 33.357,1099 15.613,1100 0.519,1101 3.081,1102 28.626,1103 2.027,1104 17.267,1105 21.13,1106 3.735,1107 35.73,1108 16.712,1109 2060,1110 3136,1111 11.444,1112 22.563,1113 26.808,1114 26.929,1115 28.031,1116 26.42,1117 26.462,1118 32.277,1119 5.889,1120 76.196,1121 24.977,1122 5.321,1123 5.467,1124 6.225,1125 5.192,1126 5.155,1127 7.089,1128 2.316,1129 17.997,1130 5.044,1131 9.561,1132 1.489,1133 1.496,1134 1.557,1135 1.468,1136 1.47,1137 1.793,1138 0.327,1139 4.233,1140 1.388,1141 4.004,1142 4.039,1143 3.958,1144 3.905,1145 4.926,1146 3.912,1147 3.624,1148 3.685,1149 3.505,1150 3.433,1151 4.64,1152 3.433,1153 3.517,1154 3.592,1155 3.378,1156 3.333,1157 4.361,1158 3.338,1159 3.323,1160 3.417,1161 3.125,1162 3.106,1163 4.066,1164 3.101,1165 3.039,1166 3.141,1167 2.858,1168 2.812,1169 3.869,1170 2.812,1171 2.874,1172 3.009,1173 2.618,1174 2.625,1175 3.703,1176 2.611,1177 2.806,1178 2.868,1179 2.499,1180 2.618,1181 3.523,1182 2.57,1183 2.602,1184 2.673,1185 2.477,1186 2.445,1187 3.467,1188 2.447,1189 0.248,1190 0.193,1191 0.372,1192 0.229,1193 0.175,1194 4.468,1195 0.227,1196 3.467,1197 0.071,1198 6.691,1199 0.601,1200 4.119,1201 0.169,1202 3.155,1203 4.089,1204 1.284,1205 10.825,1206 3.044,1207 1.95,1208 1.924,1209 2.047,1210 2.077,1211 1.222,1212 2.068,1213 1.598,1214 1.536,1215 1.88,1216 1.821,1217 1.05,1218 1.838,1219 1.48,1220 1.409,1221 1.716,1222 1.706,1223 0.803,1224 1.716,1225 1.323,1226 1.225,1227 1.662,1228 1.571,1229 0.694,1230 1.609,1231 1.008,1232 0.917,1233 1.417,1234 1.296,1235 0.469,1236 1.31,1237 0.934,1238 0.804,1239 1.288,1240 1.239,1241 0.317,1242 1.308,1243 0.793,1244 0.732,1245 1.059,1246 1.018,1247 0.158,1248 1.031,1249 0.583,1250 0.521,1251 0.816,1252 0.798,1254 0.817,1255 3.611,1257 4.92,1259 6.438,1261 8.064,1263 9.751,1265 7.989,1272 6.304,1273 5.808,1275 0.305,1280 20.993,1281 52.546,1282 116.55,1283 146.078,1284 159.098,1285 159.098,1286 159.098,1287 21.052,1288 6.118,1289 45.65,1290 45.65,1291 12,1292 12.023,1293 3,1294 2.322,1295 28.143,1296 40,1297 40,1298 0.364,1299 133.354,1300 229.07,1301 317.143,1302 2759,1304 12.414,1305 0.73,1306 0.632,1307 12.414,1308 10.742,1309 8.113,1310 0.451,1311 0.33,1312 5.848,1313 7.768,1314 5.561,1315 4.714,1316 8.113,1317 5.936,1318 7.371,1319 0.295,1320 0.177,1321 7.371,1322 4.416,1323 5.661,1324 0.177,1325 0.084,1326 5.661,1327 2.674,1328 4.88,1329 0.113,1330 0.045,1331 4.88,1332 1.923,1333 4.068,1334 0.074,1335 0.024,1336 4.068,1337 1.316,1338 0.533,1339 50.871,1340 0.296,1341 16.627,1342 1.115,1343 86,1344 226.046,1345 95.869,1346 217.532,1347 306.7,1348 206,1349 100,1350 236.49,1351 109.372,1352 237.147,1353 347.92,1354 224,1355 6.796} {0 CHEMBL404248,1 1.76,2 7.222,3 2.501,4 6.257,5 65.445,6 7.736,7 0.316,8 3.61,9 3.739,10 3.183,11 3.031,12 4.755,13 3.049,14 4.166,15 4.358,16 3.547,17 3.377,18 5.546,19 3.381,20 4.321,21 4.538,22 3.574,23 3.499,24 5.504,25 3.478,26 4.322,27 4.526,28 3.489,29 3.496,30 5.411,31 3.457,32 4.408,33 4.659,34 3.416,35 3.448,36 5.587,37 3.361,38 4.313,39 4.584,40 3.083,41 3.28,42 5.286,43 3.159,44 4.139,45 4.424,46 2.934,47 2.988,48 5.292,49 2.903,50 3.936,51 4.238,52 2.748,53 2.559,54 5.387,55 2.507,56 0.114,57 0.607,58 6.588,59 2.812,60 13.448,61 3.648,62 0.57,63 0.993,64 14.298,65 4.625,66 74.634,67 5.968,68 0.578,69 0.949,70 16.983,71 4.769,72 54.09,73 6.983,74 0.401,75 0.921,76 16.088,77 4.92,78 36.78,79 7.15,80 0.689,81 0.884,82 19.377,83 5.093,84 52.021,85 8.132,86 0.477,87 0.809,88 18.619,89 5.649,90 54.311,91 7.98,92 0.446,93 0.759,94 16.254,95 4.476,96 46.438,97 6.073,98 0.711,99 0.585,100 15.08,101 3.654,102 76.237,103 4.534,104 23,105 26,106 0.335,107 0.691,108 0.856,109 0.883,110 0.883,111 0.883,112 2.961,113 0.892,114 -3.37,115 -3.35,116 -3.21,119 36.4,120 1,124 1,125 1,127 1,128 1,140 3,141 1,142 2,157 1,169 3,172 3,174 2,175 1,176 1,178 3,182 3,184 1,186 2,189 2,193 2,197 4,199 1,202 1,203 2,206 1,208 2,211 1,220 1,259 336,260 11.939,261 11.939,262 11.939,263 11.939,264 11.939,265 10.979,266 17.417,267 7.052,268 12.482,269 9.309,270 9.309,271 9.309,272 9.309,273 9.309,274 7.74,275 23.722,276 3.26,277 10.121,278 3.284,279 1.416,280 0.553,281 0.409,282 0.409,283 0.409,284 3.614,288 1,289 1,290 265,291 2.915,295 84.983,299 72.945,302 1.136,303 23.789,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 41.5,315 130,316 4.465,317 3.463,318 6.686,319 4.114,320 3.149,321 4.086,322 1.51,323 10.797,324 3.041,325 3.795,326 3.224,327 5.653,328 3.376,329 2.457,330 3.09,331 1.284,332 7.401,333 2.266,334 3.468,335 2.873,336 5.307,337 3.216,338 2.294,339 2.672,340 0.86,341 6.753,342 2.107,343 3.16,344 2.631,345 4.614,346 2.925,347 2.064,348 2.175,349 0.553,350 5.05,351 1.744,352 2.872,353 1.876,354 4.493,355 2.439,356 1.493,357 2.019,358 0.247,359 4.178,360 1.413,361 2.6,362 1.472,363 3.824,364 2.338,365 1.371,366 1.609,368 3.118,369 1.313,370 1.771,371 1.176,372 3.126,373 1.543,374 0.667,375 0.715,377 1.443,378 0.578,379 1.591,380 0.923,381 2.761,382 1.308,383 0.436,384 0.48,386 0.762,387 0.377,388 1.122,389 0.51,390 2.69,391 0.778,392 -0.146,393 -0.17,395 -0.308,396 -0.134,397 0.759,398 0.231,399 2.352,400 0.421,401 -0.519,402 -0.59,404 -1.441,405 -0.483,406 0.619,407 -0.098,408 2.142,409 0.251,410 -0.704,411 -0.88,413 -1.512,414 -0.666,415 0.187,416 -0.423,417 1.774,418 -0.021,419 -0.947,420 -1,422 -2,423 -0.7,425 -0.639,426 1.523,427 -0.3,428 -1,429 -1.025,431 -2.711,432 -0.871,433 -0.267,434 -1.077,435 1.341,436 -0.467,437 -1.404,438 -1.544,440 -3.783,441 -1.305,442 -0.378,443 -1.233,444 1.05,445 -0.6,446 -1.541,447 -1.85,448 -0.405,449 -4.153,450 -1.419,451 8.105,452 0.45,453 0.473,454 0.026,455 20.5,456 1.139,457 8.5,458 0.472,459 12,460 0.667,461 13.428,462 0.746,463 21.295,464 0.645,465 14.467,466 0.804,467 4.383,468 0.243,469 4.231,470 0.235,471 0.194,473 0.37,475 2,479 0.691,480 1.197,481 0.726,482 1.256,483 0.599,484 1.055,485 0.836,486 0.834,487 0.842,488 0.904,489 0.681,490 0.886,491 0.839,492 0.792,493 0.945,494 0.868,495 0.788,496 0.916,497 0.843,498 1.025,499 1.084,500 1.231,501 0.624,502 1.232,503 0.526,504 0.578,505 0.983,506 0.985,507 0.403,508 1.117,509 0.831,510 0.959,511 0.968,512 1.119,513 0.775,514 1.116,515 1.094,516 1.144,517 0.998,518 1.066,519 1.114,520 1.014,521 1.427,522 1.291,523 0.975,524 0.794,525 1.821,526 0.744,527 4,529 2,530 1.188,531 1.338,532 0.556,533 0.304,534 0.224,535 0.103,536 0.031,537 2405,538 8881,539 1.963,540 45.5,542 9,543 1,545 2,547 3,550 1.591,551 1.8,552 2.869,553 0.483,555 1,556 1,557 1,559 58.087,560 1.76,561 3.628,562 4.491,563 4.635,564 4.635,565 4.635,566 2.281,567 3.503,568 4.137,569 3.002,570 459.242,571 7.043,572 4289.44,574 1,576 1,577 166.465,578 1.53,579 4.076,580 0.211,582 0.077,583 0.044,584 0.056,585 0.028,586 0.022,587 0.02,588 0.013,589 0.008,590 0.478,591 0.83,592 1,593 1.529,594 75.459,595 -0.072,596 -0.168,597 0.025,598 -0.104,599 -0.089,600 -0.019,601 0.088,602 0.187,603 0.058,604 0.119,605 0.155,606 0.08,607 -0.025,608 0.152,609 -0.053,610 0.109,611 -0.061,612 0.041,613 -0.152,614 -0.165,615 -0.239,616 -0.24,617 -0.088,618 -0.259,619 0.175,620 0.175,621 -0.079,622 -0.083,623 0.13,624 -0.165,625 -0.043,626 -0.184,627 -0.014,628 -0.147,629 -0.038,630 -0.094,631 -0.09,632 -0.241,633 0.032,634 -0.139,635 -0.05,636 -0.035,637 0.159,638 -0.094,639 0.244,640 0.133,641 0.039,642 0.204,643 3.746,644 4.158,645 0.556,646 12,647 1.026,648 1.16,649 2.137,650 4.566,651 0.627,652 2.996,653 3.296,654 3.526,655 3.784,656 4.025,657 4.025,658 4.078,659 4.043,660 3.97,661 3.555,662 4.522,663 0.613,664 255.3,665 2.996,666 4.511,667 5.342,668 6.217,669 7.077,670 7.96,671 8.833,672 9.718,673 10.598,674 11.485,675 9.1,677 1,680 1,684 1,688 3,693 3,695 6,707 1,712 1,714 33,716 7,717 1,718 19,720 34,721 12,722 6,723 3,724 3,729 1,730 2,731 3,734 1,736 2,740 1,743 1,745 7,746 5,750 1,758 1,759 1,761 1,762 2,764 15,765 6,766 2,767 6,773 3,777 0.5,778 1,793 2,797 1,814 1,819 1,823 2,825 2,827 18,833 1,834 2,835 1,837 2,846 2,847 3,852 1,854 10,855 6.319,856 4.083,857 1.83,858 1.606,859 1.258,860 0.942,861 4.02,862 7.821,863 3.178,864 3.701,865 4.201,866 4.722,867 5.235,868 5.379,869 5.631,870 5.812,871 5.998,872 5.749,873 0.8,874 27,875 6.696,877 2.82,878 8.185,879 12.266,881 9.623,883 2.685,884 48.333,885 0.001,888 153.024,889 71.442,890 52.807,892 11,893 29.92,895 71.442,896 164.024,897 82.727,898 19.708,899 2.106,900 54.554,901 18.011,902 68.891,903 13.67,904 141.253,906 153.024,907 124.249,908 40.92,911 117.711,912 76.233,914 8.115,915 45.727,916 52.397,917 18.011,919 182.945,920 63.807,921 71.442,924 161.139,925 15.191,926 48.137,927 36.022,928 57.706,929 153.024,930 93.727,931 71.442,933 0.572,934 0.326,935 0.178,936 0.105,937 12,938 6,939 0.088,940 3,941 1,942 1.2,943 2.941,944 124.923,945 0.2,946 10,947 73.059,951 13.09,952 5.527,953 2.924,955 93.727,956 5.625,961 2.432,963 36.022,964 318.194,965 23,973 4.276,974 0.347,975 33.843,976 38.29,977 0.349,978 0.719,979 0.89,980 0.919,981 0.919,982 0.919,983 4.413,984 0.436,985 5.333,986 1.443,987 3.97,988 4.382,989 2.371,990 6.138,991 3.828,992 5.596,993 -0.146,994 6.891,995 0.762,996 3.611,997 4.182,998 0.623,999 7.066,1000 3.398,1001 6.891,1002 -0.519,1003 8.55,1004 -0.308,1005 5.549,1006 6.479,1007 2.812,1008 10.159,1009 5.308,1010 8.222,1011 -0.704,1012 10.269,1013 -1.441,1014 5.969,1015 7.077,1016 1.178,1017 11.921,1018 5.685,1019 9.586,1020 -0.947,1021 12.028,1022 -1.512,1023 7.419,1024 8.898,1025 3.444,1026 14.56,1027 7.112,1028 10.975,1029 -1,1030 13.815,1031 -2,1032 8.215,1033 9.89,1034 1.7,1035 16.679,1036 7.884,1037 12.383,1038 -1.404,1039 15.624,1040 -2.711,1041 9.47,1042 11.5,1043 4.165,1044 19.157,1045 9.115,1046 3.149,1047 -1.541,1048 17.449,1049 -3.783,1050 10.452,1051 12.694,1052 2.213,1053 21.428,1054 10.076,1055 2.457,1056 10.797,1057 19.288,1058 -4.153,1059 11.631,1060 14.203,1061 4.929,1062 23.846,1063 11.23,1064 2.294,1065 7.401,1066 21.138,1067 4.086,1068 12.701,1069 15.5,1070 2.722,1071 26.18,1072 12.275,1073 2.064,1074 6.753,1075 22.997,1076 3.09,1077 13.854,1078 16.959,1079 5.717,1080 28.574,1081 13.401,1082 1.493,1083 5.05,1084 24.863,1085 2.672,1086 14.964,1087 18.309,1088 3.229,1089 30.935,1090 14.484,1091 1.371,1092 4.178,1093 26.735,1094 2.175,1095 16.109,1096 19.743,1097 6.517,1098 33.32,1099 15.599,1100 0.667,1101 3.118,1102 28.612,1103 2.019,1104 17.238,1105 21.121,1106 3.735,1107 35.691,1108 16.698,1109 2536,1110 4952,1111 12.137,1112 20.676,1113 28.074,1114 28.414,1115 29.14,1116 27.867,1117 27.862,1118 33.695,1119 8.909,1120 79.004,1121 25.678,1122 5.37,1123 5.463,1124 6.274,1125 5.186,1126 5.149,1127 7.086,1128 3.02,1129 17.938,1130 5.041,1131 10.124,1132 1.478,1133 1.495,1134 1.534,1135 1.467,1136 1.466,1137 1.773,1138 0.469,1139 4.158,1140 1.351,1141 4.001,1142 4.037,1143 3.956,1144 3.902,1145 8.362,1146 3.91,1147 3.636,1148 3.703,1149 3.558,1150 3.4,1151 7.999,1152 3.425,1153 3.455,1154 3.518,1155 3.355,1156 3.25,1157 4.929,1158 3.257,1159 3.24,1160 3.308,1161 3.1,1162 2.98,1163 4.636,1164 2.997,1165 3.147,1166 3.246,1167 2.946,1168 2.869,1169 4.326,1170 2.875,1171 2.779,1172 2.871,1173 2.661,1174 2.565,1175 3.969,1176 2.562,1177 2.711,1178 2.793,1179 2.498,1180 2.542,1181 3.758,1182 2.537,1183 2.448,1184 2.542,1185 2.302,1186 2.08,1187 3.502,1188 2.117,1189 0.235,1190 0.182,1191 0.352,1192 0.217,1193 0.166,1194 4.465,1195 0.215,1196 3.463,1197 0.079,1198 6.686,1199 0.568,1200 4.114,1201 0.16,1202 3.149,1203 4.086,1204 1.51,1205 10.797,1206 3.041,1207 1.949,1208 1.922,1209 2.044,1210 2.076,1211 1.219,1212 2.066,1213 1.541,1214 1.474,1215 1.739,1216 1.805,1217 0.928,1218 1.785,1219 1.411,1220 1.343,1221 1.686,1222 1.647,1223 0.81,1224 1.659,1225 1.189,1226 1.115,1227 1.562,1228 1.485,1229 0.57,1230 1.512,1231 1.077,1232 0.986,1233 1.312,1234 1.392,1235 0.34,1236 1.378,1237 0.744,1238 0.67,1239 1.037,1240 1.016,1241 0.148,1242 0.991,1243 0.677,1244 0.611,1245 0.914,1246 0.945,1248 0.978,1249 0.342,1250 0.229,1251 0.715,1252 0.687,1254 0.694,1255 3.664,1257 4.963,1259 6.469,1261 8.083,1263 9.759,1265 3.475,1267 24.317,1271 -0.428,1272 5.56,1273 5.241,1275 -2.514,1280 20.233,1281 58.087,1282 119.736,1283 148.2,1284 152.955,1285 152.955,1286 152.955,1287 29.909,1288 6.215,1289 45.65,1290 45.65,1291 12,1292 12.018,1293 3,1294 2.322,1295 30.867,1296 49,1297 48,1298 0.332,1299 126.158,1300 223.91,1301 299.585,1302 3195,1303 6.1,1304 13.121,1305 0.729,1306 0.567,1307 11.544,1308 10.205,1309 8.613,1310 0.453,1311 0.297,1312 5.499,1313 8.036,1314 5.369,1315 4.44,1316 7.758,1317 5.652,1318 7.713,1319 0.297,1320 0.153,1321 6.53,1322 3.975,1323 5.986,1324 0.181,1325 0.082,1326 5.531,1327 2.718,1328 4.961,1329 0.115,1330 0.044,1331 4.8,1332 1.878,1333 4.133,1334 0.075,1335 0.023,1336 3.761,1337 1.25,1338 0.499,1339 55.798,1340 0.287,1341 17.815,1342 0.973,1343 90,1344 402.269,1345 107.212,1346 325.74,1347 422.78,1348 306,1349 104,1350 282.954,1351 118.057,1352 275.229,1353 408.15,1354 258,1355 6.127} {0 CHEMBL404372,1 1.632,2 4.769,3 2.237,4 5.006,5 54.451,6 8.507,7 0.429,8 3.256,9 3.392,10 2.927,11 2.818,12 4.392,13 2.793,14 3.737,15 3.911,16 3.334,17 3.206,18 4.877,19 3.151,20 3.964,21 4.169,22 3.417,23 3.332,24 5.014,25 3.254,26 3.94,27 4.137,28 3.394,29 3.249,30 5.088,31 3.132,32 3.868,33 4.131,34 2.589,35 2.942,36 4.873,37 2.723,38 3.439,39 3.817,40 1.902,41 2.203,42 4.226,43 1.898,44 2.379,45 2.711,46 0.587,47 1.299,48 3.101,49 0.974,50 1.02,51 1.365,52 0.014,53 0.255,54 1.099,55 0.13,56 0.041,57 0.355,58 4.135,59 1.763,60 6.571,61 2.375,62 0.113,63 0.541,64 7.984,65 3.322,66 12.518,67 4.491,68 0.158,69 0.614,70 12.506,71 3.804,72 18.012,73 5.157,74 0.182,75 0.541,76 14.312,77 4.121,78 20.006,79 5.576,80 0.224,81 0.44,82 16.885,83 3.884,84 27.179,85 5.246,86 0.146,87 0.235,88 10.776,89 2.806,90 19.877,91 4.254,92 0.066,93 0.06,94 5.399,95 1.038,96 8.105,97 1.408,98 0.009,99 0.011,100 0.779,101 0.194,102 1.043,103 0.302,104 10,105 20,106 0.34,107 0.74,108 0.837,109 0.88,110 0.88,111 0.88,112 2.672,113 0.953,114 -3.33,115 -3.32,116 -3.18,119 39.1,120 1,127 1,140 3,141 1,142 2,157 1,161 1,162 1,163 1,169 2,172 2,173 1,174 2,175 1,176 2,177 1,178 6,186 1,189 2,193 3,197 6,199 4,201 3,203 1,208 1,211 1,213 1,220 2,224 2,259 115,260 8.5,261 8.5,262 8.5,263 8.5,264 8.5,265 7.435,266 11.489,267 4.924,268 8.772,269 6.895,270 6.895,271 6.895,272 6.895,273 6.895,274 5.321,275 16.956,276 2.314,277 7.39,278 2.891,279 0.968,280 0.5,281 0.294,282 0.294,283 0.294,284 3.303,285 1,288 1,289 1,290 128,291 1.581,295 50.688,299 43.706,302 0.746,303 10.335,306 1,307 0.67,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.83,314 27.833,315 62,316 4.461,317 3.5,318 6.732,319 4.105,320 3.147,321 4.081,322 1.257,323 10.876,324 3.004,325 3.705,326 2.877,327 5.229,328 3.195,329 2.301,330 3,331 0.533,332 6.442,333 2.043,334 3.268,335 2.287,336 5.06,337 2.97,338 2.009,339 2.492,340 0.123,341 5.816,342 1.924,343 3.043,344 2.244,345 4.636,346 2.627,347 1.721,348 2.185,350 4.639,351 1.51,352 2.529,353 1.3,354 3.681,355 2.161,356 1.195,357 1.535,359 2.726,360 1.125,361 1.168,362 0.463,363 2.727,364 0.843,365 -0.092,366 -0.102,368 -0.239,369 -0.078,370 1.052,371 0.13,372 2.573,373 0.639,374 -0.208,375 -0.258,377 -0.504,378 -0.155,379 0.776,380 -0.106,381 2.333,382 0.384,383 -0.529,384 -0.61,386 -1.252,387 -0.469,388 0.305,389 -0.67,390 1.749,391 0.028,392 -0.915,393 -1.074,395 -2.329,396 -0.853,397 -0.099,398 -1.036,399 1.457,400 -0.561,401 -1.369,402 -1.629,404 -3.4,405 -1.099,406 -0.304,407 -1.185,408 1.264,409 -0.59,410 -1.519,411 -1.984,413 -4.15,414 -1.429,415 -0.5,416 -1.46,417 1.095,418 -0.829,419 -1.739,420 -2.133,421 -0.331,422 -5.153,423 -1.648,424 -0.581,425 -1.603,426 1,427 -1,428 -2,429 -2.502,430 -0.562,431 -6.572,432 -1.874,433 -0.824,434 -2,435 0.464,436 -1.071,437 -2,438 -3,439 -1.02,440 -6.899,441 -2,451 6.414,452 0.493,453 0.404,454 0.031,455 16.5,456 1.269,457 8,458 0.615,459 8.5,460 0.654,461 8.722,462 0.671,463 13.986,464 0.608,465 9.005,466 0.693,467 3.259,468 0.251,469 2.922,470 0.225,471 0.252,473 0.39,479 0.929,480 1.215,481 0.592,482 0.778,483 1.084,484 0.784,485 0.522,486 0.985,487 0.572,488 0.836,489 0.453,490 0.84,491 1.245,492 1.014,493 0.923,494 0.81,495 1.117,496 0.869,497 0.968,498 1.346,499 1.18,500 1.336,501 0.868,502 1.253,503 1.61,504 0.974,505 1.683,506 1.349,507 1.707,508 1.384,509 0.31,510 0.6,511 0.436,512 0.658,513 0.445,514 0.674,515 1.613,516 0.377,517 2.056,518 1.184,519 1.774,520 1.051,527 3,529 1.556,530 1.563,531 0.858,532 0.264,533 0.04,537 908,538 2938,539 1.992,540 43.5,542 4,545 3,547 3,550 1.492,551 1.814,552 2.331,553 1.463,557 1,559 37.538,560 1.632,561 3.556,562 4.023,563 4.23,564 4.23,565 4.23,566 1.826,567 3.547,568 3.68,569 2.341,570 182.572,571 6.128,572 1348.12,574 1,577 104.042,578 1.549,579 3.601,580 0.214,582 0.078,583 0.078,584 0.054,585 0.044,586 0.02,590 0.488,591 1,592 1,593 0.773,594 45.596,595 -0.179,596 0.011,597 -0.012,598 0.096,599 -0.287,600 0.08,601 0.245,602 0.138,603 0.109,604 0.075,605 0.245,606 0.072,607 -0.259,608 0.05,609 -0.05,610 0.105,611 -0.248,612 0.034,613 0.085,614 -0.378,615 -0.079,616 -0.351,617 0.146,618 -0.306,619 -0.43,620 -0.11,621 -0.473,622 -0.371,623 -0.478,624 -0.428,625 0.414,626 0.042,627 0.442,628 0.325,629 0.471,630 0.421,631 -0.274,632 0.164,633 -0.335,634 -0.028,635 -0.353,636 0.084,637 0.545,638 0.421,639 0.868,640 1.045,641 0.637,642 1.23,643 1.301,644 1.924,645 0.769,646 4.757,647 1.007,648 1.135,649 2.1,650 4.411,651 0.692,652 2.708,653 3.045,654 3.296,655 3.584,656 3.689,657 3.638,658 3.367,659 3.332,660 3.091,661 2.485,662 3.105,663 0.652,664 195.67,665 2.708,666 4.234,667 5.081,668 5.974,669 6.836,670 7.733,671 8.599,672 9.497,673 10.364,674 11.261,675 13,676 1,680 1,684 1,688 3,693 3,695 6,707 1,713 1,714 23,716 7,717 1,718 14,720 24,721 9,722 6,723 3,724 3,730 2,731 3,732 1,734 1,736 1,740 1,743 1,745 7,746 2,750 1,758 1,759 1,761 1,764 10,765 3,766 3,767 4,768 1,773 3,777 0.5,793 2,797 1,812 1,819 1,823 1,824 1,827 13,828 1,834 1,837 1,846 1,854 7.167,855 4.26,856 2.833,857 1.291,858 1.612,859 1.288,860 0.984,861 2.077,862 7.218,863 2.944,864 3.541,865 4.056,866 4.604,867 5.059,868 5.173,869 5.236,870 5.482,871 5.514,872 4.925,873 1,874 20,875 4.75,876 -0.003,877 1.982,878 7.778,879 8.996,880 -0.001,881 7.275,882 0.001,883 2.278,884 29.611,885 0.007,888 82.398,889 48.596,890 67.693,891 39.149,895 48.596,896 121.546,897 67.693,898 8.825,899 32.897,900 28.429,901 18.011,902 26.228,903 1.899,904 82.398,905 39.149,906 82.398,907 116.289,909 39.149,911 47.084,912 35.313,915 58.508,916 39.771,917 57.159,919 82.398,920 67.693,921 87.745,924 82.398,925 11.342,926 37.254,927 18.011,928 88.831,929 82.398,930 67.693,931 87.745,933 0.59,934 0.348,935 0.201,936 0.097,937 11,938 5,941 1,942 1.2,943 2.423,944 81.655,945 0.2,946 10,947 48.106,951 8.691,952 3.106,953 1.46,955 67.693,956 5.689,961 2.694,963 50.908,964 237.836,965 18,973 4.184,974 0.447,975 23.164,976 26.1,977 0.361,978 0.786,979 0.889,980 0.935,981 0.935,982 0.935,983 4.182,984 -0.529,985 5.094,986 -0.504,987 3.714,988 4.22,989 1.469,990 5.932,991 3.581,992 5.404,993 -0.915,994 6.673,995 -1.252,996 3.434,997 4.086,998 0.623,999 6.905,1000 3.202,1001 6.722,1002 -1.369,1003 8.355,1004 -2.329,1005 5.323,1006 6.382,1007 1.562,1008 10.029,1009 5.089,1010 8.073,1011 -1.519,1012 10.095,1013 -3.4,1014 5.802,1015 7.005,1016 1.104,1017 11.842,1018 5.488,1019 9.453,1020 -1.739,1021 11.875,1022 -4.15,1023 7.238,1024 8.834,1025 1.812,1026 14.503,1027 6.918,1028 10.856,1029 -2,1030 13.683,1031 -5.153,1032 8.086,1033 9.839,1034 1.569,1035 16.668,1036 7.703,1037 12.276,1038 -2,1039 15.513,1040 -6.572,1041 9.341,1042 11.455,1043 2.129,1044 19.16,1045 8.94,1046 3.147,1048 17.36,1049 -6.899,1050 10.359,1051 12.656,1052 2.032,1053 21.463,1054 9.904,1055 2.301,1056 10.876,1057 19.22,1059 11.545,1060 14.17,1061 2.489,1062 23.89,1063 11.059,1064 2.009,1065 6.442,1066 21.092,1067 4.081,1068 12.637,1069 15.47,1070 2.494,1071 26.245,1072 12.102,1073 1.721,1074 5.816,1075 22.971,1076 3,1077 13.796,1078 16.932,1079 2.879,1080 28.648,1081 13.224,1082 1.195,1083 4.639,1084 24.857,1085 2.492,1086 14.919,1087 18.283,1088 2.956,1089 31.023,1090 14.3,1091 -0.092,1092 2.726,1093 26.748,1094 2.185,1095 16.07,1096 19.719,1097 3.29,1098 33.415,1099 15.409,1100 -0.208,1101 -0.239,1102 28.642,1103 1.535,1104 17.206,1105 21.096,1106 3.417,1107 35.797,1108 16.498,1109 978,1110 1814,1111 8.959,1112 15.921,1113 21.155,1114 21.276,1115 22.104,1116 20.9,1117 20.745,1118 26.585,1119 3.826,1120 60.998,1121 19.212,1122 5.285,1123 5.5,1124 6.268,1125 5.176,1126 5.147,1127 7.081,1128 2.276,1129 17.775,1130 5.004,1131 6.434,1132 1.511,1133 1.52,1134 1.579,1135 1.493,1136 1.482,1137 1.899,1138 0.273,1139 4.357,1140 1.372,1141 3.992,1142 4.027,1143 4.054,1144 3.913,1145 5.165,1146 3.913,1147 3.508,1148 3.575,1149 3.548,1150 3.333,1151 4.898,1152 3.341,1153 3.235,1154 3.336,1155 3.253,1156 3.004,1157 4.392,1158 3.011,1159 2.87,1160 2.94,1161 2.999,1162 2.737,1163 4.211,1164 2.716,1165 2.759,1166 2.841,1167 2.637,1168 2.58,1169 3.775,1170 2.575,1171 2.325,1172 2.449,1173 2.23,1174 1.969,1175 3.516,1176 1.961,1177 2.257,1178 2.405,1179 2.029,1180 1.843,1181 3.08,1182 1.854,1183 1.691,1184 1.807,1185 1.925,1186 1.464,1187 3.005,1188 1.396,1189 0.319,1190 0.25,1191 0.481,1192 0.293,1193 0.225,1194 4.461,1195 0.292,1196 3.5,1197 0.09,1198 6.732,1199 0.777,1200 4.105,1201 0.215,1202 3.147,1203 4.081,1204 1.257,1205 10.876,1206 3.004,1207 1.947,1208 1.921,1209 2.029,1210 2.058,1211 1.214,1212 2.055,1213 1.47,1214 1.404,1215 1.706,1216 1.668,1217 0.81,1218 1.679,1219 1.186,1220 1.092,1221 1.439,1222 1.493,1223 0.334,1224 1.502,1225 0.829,1226 0.778,1227 1.071,1228 1.079,1229 0.153,1230 1.088,1231 0.739,1232 0.66,1233 1.017,1234 0.958,1236 0.999,1237 0.257,1238 0.125,1239 0.711,1240 0.632,1242 0.672,1243 0.22,1244 0.055,1245 0.568,1246 0.578,1248 0.59,1251 0.246,1252 0.066,1254 0.138,1255 3.367,1257 4.691,1259 6.232,1261 7.883,1263 9.589,1265 1.971,1266 6.035,1269 5.586,1272 2.974,1275 0.032,1280 14.999,1281 37.538,1282 81.777,1283 92.532,1284 97.287,1285 97.287,1286 97.287,1287 14.009,1288 5.606,1289 50.41,1290 50.41,1291 12,1292 11.791,1293 3,1294 2.322,1295 18.966,1296 25,1297 20,1298 0.43,1299 99.321,1300 166.29,1301 234.103,1302 1400,1303 4.3,1304 9.422,1305 0.725,1306 0.613,1307 9.922,1308 7.968,1309 6.182,1310 0.442,1311 0.318,1312 4.057,1313 5.72,1314 3.901,1315 3.24,1316 6.47,1317 4.447,1318 5.799,1319 0.29,1320 0.171,1321 6.17,1322 3.424,1323 4.572,1324 0.176,1325 0.092,1326 4.909,1327 2.396,1328 4.257,1329 0.122,1330 0.053,1331 4.659,1332 1.847,1333 2.848,1334 0.073,1335 0.025,1336 3.034,1337 0.97,1338 0.604,1339 41.37,1340 0.334,1341 12.597,1342 1.403,1343 68,1344 185.494,1345 88.82,1346 215.603,1347 288.1,1348 200,1349 80,1350 194.426,1351 96.373,1352 207.727,1353 304.16,1354 196,1355 5.959} {0 CHEMBL404511,1 1.829,2 7.118,3 3.182,4 10.126,5 63.786,6 8.956,7 0.333,8 3.489,9 3.616,10 3.184,11 2.991,12 4.646,13 2.994,14 4.041,15 4.223,16 3.6,17 3.364,18 5.488,19 3.345,20 4.25,21 4.473,22 3.643,23 3.485,24 5.449,25 3.432,26 4.186,27 4.385,28 3.636,29 3.429,30 5.383,31 3.363,32 4.182,33 4.424,34 3.264,35 3.278,36 5.436,37 3.154,38 3.992,39 4.28,40 2.955,41 2.976,42 5.023,43 2.858,44 3.756,45 4.021,46 2.904,47 2.704,48 5.095,49 2.648,50 3.535,51 3.796,52 2.595,53 2.274,54 5.06,55 2.27,56 0.124,57 0.568,58 4.45,59 2.485,60 15.554,61 2.933,62 0.502,63 0.942,64 10.811,65 4.422,66 71.804,67 5.177,68 0.585,69 0.859,70 17.04,71 4.971,72 59.911,73 6.357,74 0.453,75 0.771,76 16.584,77 4.786,78 44.396,79 6.095,80 0.611,81 0.711,82 20.146,83 4.695,84 50.012,85 6.508,86 0.405,87 0.643,88 15.116,89 4.654,90 53.045,91 6.174,92 0.351,93 0.623,94 12.753,95 3.894,96 40.1,97 4.436,98 0.49,99 0.488,100 12.895,101 3.031,102 69.032,103 2.482,104 20,105 25,106 0.36,107 0.73,108 0.863,109 0.896,110 0.896,111 0.896,112 2.908,113 0.935,114 -4.17,115 -4.12,116 -3.89,119 37.9,120 1,125 1,127 1,128 1,140 3,141 1,142 2,157 1,169 2,172 2,174 2,175 1,176 2,178 6,186 1,189 2,193 3,197 6,199 4,203 1,208 1,211 1,220 2,259 253,260 11.069,261 11.069,262 11.069,263 11.069,264 11.069,265 10.057,266 15.129,267 6.54,268 11.554,269 8.878,270 8.878,271 8.878,272 8.878,273 8.878,274 7.316,275 20.381,276 3.111,277 9.743,278 3.029,279 1.143,280 0.466,281 0.302,282 0.302,283 0.302,284 3.558,285 1,288 1,289 1,290 248,291 2.739,295 79.199,299 67.933,302 1.197,303 23.696,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38.833,315 121,316 4.465,317 3.511,318 6.734,319 4.109,320 3.153,321 4.083,322 1.51,323 10.892,324 3.007,325 3.779,326 3.23,327 5.417,328 3.335,329 2.441,330 3.071,331 1.284,332 7.105,333 2.172,334 3.27,335 2.925,336 5.078,337 2.994,338 2.139,339 2.497,340 0.553,341 5.849,342 1.934,343 3.202,344 2.333,345 4.783,346 2.962,347 2.009,348 2.264,349 0.247,350 5.19,351 1.772,352 3.036,353 2.252,354 4.582,355 2.652,356 1.758,357 2.12,359 4.76,360 1.52,361 2.54,362 1.303,363 3.706,364 2.165,365 1.198,366 1.548,368 2.745,369 1.132,370 1.664,371 1.155,372 3.064,373 1.441,374 0.577,375 0.603,377 1.312,378 0.49,379 1.166,380 0.51,381 2.693,382 0.774,383 -0.172,384 -0.2,386 -0.446,387 -0.14,388 1.013,389 0.402,390 2.412,391 0.617,392 -0.214,393 -0.259,395 -0.517,396 -0.165,397 0.692,398 0.12,399 2.333,400 0.332,401 -0.585,402 -0.667,404 -1.509,405 -0.523,406 0.212,407 -0.199,408 1.842,409 -0.009,410 -0.937,411 -1,413 -2,414 -0.7,416 -0.662,417 1.563,418 -0.3,419 -1,420 -1.055,422 -2.549,423 -0.86,424 -0.095,425 -1.005,426 1.366,427 -0.454,428 -1.324,429 -1.489,431 -3.367,432 -1.082,433 -0.268,434 -1.163,435 1.231,436 -0.581,437 -1.458,438 -1.812,440 -3.837,441 -1.334,442 -0.5,443 -1.411,444 1.047,445 -0.763,446 -1.67,447 -2.02,448 -0.405,449 -4.839,450 -1.597,451 7.986,452 0.47,453 0.511,454 0.03,455 19.25,456 1.132,457 8,458 0.471,459 11.25,460 0.662,461 13.024,462 0.766,463 19.614,464 0.676,465 12.712,466 0.748,467 3.971,468 0.234,469 4.104,470 0.241,471 0.224,473 0.376,475 2,479 0.628,480 1.113,481 0.563,482 0.972,483 0.584,484 0.903,485 0.667,486 0.854,487 0.665,488 0.856,489 0.637,490 0.907,491 0.854,492 0.725,493 0.912,494 0.731,495 0.789,496 0.848,497 0.788,498 0.961,499 1.154,500 1.17,501 0.624,502 1.186,503 0.671,504 0.552,505 1.407,506 1.131,507 0.54,508 1.262,509 0.72,510 0.964,511 0.583,512 0.967,513 0.837,514 0.964,515 1.249,516 1.39,517 0.84,518 1.088,519 1.334,520 0.938,521 2.737,522 1.762,523 1.687,524 0.994,525 3.036,526 0.904,527 4,529 1.778,530 1.563,531 1.138,532 0.41,533 0.304,534 0.161,535 0.103,536 0.031,537 2104,538 8990,539 1.96,540 41.4,542 6,543 1,545 2,547 3,550 1.57,551 1.789,552 2.835,553 0.526,555 1,556 1,557 1,559 53.053,560 1.829,561 3.714,562 4.392,563 4.556,564 4.556,565 4.556,566 2.307,567 3.617,568 4.055,569 2.979,570 405.15,571 6.864,572 3610.22,574 1,576 1,577 140.881,578 1.549,579 3.989,580 0.222,582 0.071,583 0.063,584 0.052,585 0.027,586 0.028,587 0.016,588 0.017,589 0.008,590 0.504,591 1,592 1,593 1.453,594 69.755,595 -0.075,596 -0.125,597 -0.002,598 -0.017,599 -0.086,600 0.016,601 0.148,602 0.175,603 0.038,604 0.078,605 0.165,606 0.008,607 -0.074,608 0.147,609 -0.036,610 0.186,611 -0.083,612 0.087,613 -0.091,614 -0.165,615 -0.128,616 -0.213,617 -0.048,618 -0.236,619 0.068,620 0.174,621 -0.318,622 -0.208,623 0.062,624 -0.305,625 0.082,626 -0.169,627 0.217,628 -0.032,630 0.095,631 -0.064,632 -0.351,633 0.153,634 -0.079,635 -0.018,636 0.104,637 -0.59,638 -0.151,639 -0.299,640 0.11,641 -0.552,642 0.05,643 3.74,644 4.081,645 0.588,646 11.17,647 1.033,648 1.159,649 2.945,650 8.671,651 0.666,652 2.944,653 3.258,654 3.466,655 3.738,656 3.912,657 3.932,658 3.932,659 3.932,660 3.892,661 3.332,662 4.426,663 0.649,664 259.71,665 2.944,666 4.466,667 5.293,668 6.172,669 7.024,670 7.91,671 8.773,672 9.664,673 10.532,674 11.425,675 10.3,677 1,680 1,684 1,688 3,693 3,695 6,707 1,713 1,714 29,716 7,717 1,718 18,720 30,721 11,722 6,723 3,724 3,729 1,730 2,731 3,732 1,734 1,736 2,740 1,743 1,745 7,746 4,750 1,758 1,759 1,761 1,762 2,764 12,765 5,766 2,767 6,768 1,773 3,777 0.5,793 2,797 1,814 1,819 1,823 1,824 1,825 2,827 17,833 1,834 2,837 2,846 3,854 9.5,855 5.295,856 3.75,857 1.657,858 1.596,859 1.262,860 0.961,861 3.72,862 7.687,863 3.135,864 3.676,865 4.155,866 4.681,867 5.156,868 5.306,869 5.485,870 5.752,871 5.904,872 5.574,873 0.8,874 25,875 6.322,877 2.713,878 8.261,879 11.518,881 9.213,883 2.761,884 46.944,885 0.001,888 117.711,889 58.816,890 52.807,891 39.149,893 29.92,895 58.816,896 156.86,897 82.727,898 8.825,899 2.106,900 54.554,901 18.011,902 56.149,903 13.67,904 105.94,905 39.149,906 117.711,907 111.623,908 29.92,909 39.149,911 82.398,912 65.234,914 8.115,915 45.727,916 39.771,917 57.159,919 147.631,920 52.807,921 97.965,924 125.826,925 13.448,926 37.254,927 36.022,928 85.854,929 117.711,930 82.727,931 97.965,933 0.582,934 0.32,935 0.176,936 0.096,937 12,938 6,939 0.067,940 2,941 1,942 1.2,943 2.861,944 115,945 0.2,946 10,947 67.487,951 12.431,952 5.087,953 2.805,955 82.727,956 5.43,961 2.313,963 36.022,964 298.403,965 22,973 4.233,974 0.354,975 29.956,976 33.61,977 0.377,978 0.765,979 0.904,980 0.938,981 0.938,982 0.938,983 4.376,984 -0.172,985 5.293,986 1.312,987 3.932,988 4.357,989 2.222,990 6.098,991 3.764,992 5.569,993 -0.214,994 6.851,995 -0.446,996 3.611,997 4.182,998 0.623,999 7.024,1000 3.315,1001 6.867,1002 -0.585,1003 8.511,1004 -0.517,1005 5.509,1006 6.457,1007 2.744,1008 10.126,1009 5.223,1010 8.199,1011 -0.937,1012 10.23,1013 -1.509,1014 5.943,1015 7.058,1016 1.178,1017 11.907,1018 5.566,1019 9.562,1020 -1,1021 11.99,1022 -2,1023 7.381,1024 8.876,1025 3.418,1026 14.557,1027 7.006,1028 10.95,1029 -1.324,1030 13.781,1031 -2.549,1032 8.188,1033 9.87,1034 1.7,1035 16.707,1036 7.755,1037 12.358,1038 -1.458,1039 15.596,1040 -3.367,1041 9.443,1042 11.481,1043 4.155,1044 19.193,1045 8.994,1046 3.153,1047 -1.67,1048 17.43,1049 -3.837,1050 10.434,1051 12.677,1052 2.213,1053 21.49,1054 9.939,1055 2.441,1056 10.892,1057 19.279,1058 -4.839,1059 11.617,1060 14.187,1061 4.926,1062 23.915,1063 11.094,1064 2.139,1065 7.105,1066 21.141,1067 4.083,1068 12.694,1069 15.485,1070 2.722,1071 26.268,1072 12.128,1073 2.009,1074 5.849,1075 23.013,1076 3.071,1077 13.851,1078 16.945,1079 5.716,1080 28.67,1081 13.25,1082 1.758,1083 5.19,1084 24.892,1085 2.497,1086 14.967,1087 18.295,1088 3.229,1089 31.044,1090 14.322,1091 1.198,1092 4.76,1093 26.778,1094 2.264,1095 16.115,1096 19.729,1097 6.517,1098 33.438,1099 15.431,1100 0.577,1101 2.745,1102 28.668,1103 2.12,1104 17.248,1105 21.106,1106 3.735,1107 35.821,1108 16.519,1109 2213,1110 4634,1111 11.444,1112 19.318,1113 26.799,1114 27.184,1115 27.843,1116 26.716,1117 26.55,1118 32.372,1119 7.189,1120 75.705,1121 24.054,1122 5.366,1123 5.511,1124 6.271,1125 5.181,1126 5.153,1127 7.083,1128 3.02,1129 17.791,1130 5.007,1131 9.628,1132 1.489,1133 1.51,1134 1.547,1135 1.484,1136 1.475,1137 1.798,1138 0.399,1139 4.206,1140 1.336,1141 3.997,1142 4.034,1143 4.056,1144 3.915,1145 8.362,1146 3.916,1147 3.632,1148 3.7,1149 3.618,1150 3.402,1151 7.999,1152 3.425,1153 3.436,1154 3.504,1155 3.413,1156 3.245,1157 4.974,1158 3.249,1159 3.175,1160 3.263,1161 3.246,1162 2.943,1163 4.667,1164 2.954,1165 2.855,1166 2.912,1167 2.97,1168 2.714,1169 4.286,1170 2.694,1171 2.75,1172 2.832,1173 2.649,1174 2.546,1175 3.978,1176 2.555,1177 2.453,1178 2.545,1179 2.313,1180 2.085,1181 3.729,1182 2.121,1183 2.276,1184 2.419,1185 2.206,1186 1.93,1187 3.508,1188 1.917,1189 0.248,1190 0.195,1191 0.374,1192 0.228,1193 0.175,1194 4.465,1195 0.227,1196 3.511,1197 0.084,1198 6.734,1199 0.605,1200 4.109,1201 0.167,1202 3.153,1203 4.083,1204 1.51,1205 10.892,1206 3.007,1207 1.949,1208 1.922,1209 2.03,1210 2.064,1211 1.218,1212 2.058,1213 1.539,1214 1.471,1215 1.734,1216 1.796,1217 0.928,1218 1.779,1219 1.407,1220 1.336,1221 1.685,1222 1.619,1223 0.809,1224 1.644,1225 1.088,1226 1.011,1227 1.306,1228 1.391,1229 0.336,1230 1.374,1231 0.814,1232 0.763,1233 1.023,1234 1.027,1235 0.153,1236 1.024,1237 0.68,1238 0.615,1239 0.927,1240 0.955,1241 0.001,1242 0.973,1243 0.345,1244 0.232,1245 0.733,1246 0.679,1248 0.699,1249 0.241,1250 0.098,1251 0.654,1252 0.631,1254 0.66,1255 3.611,1257 4.92,1259 6.428,1261 8.043,1263 9.72,1265 1.871,1266 6.063,1267 24.161,1271 -0.422,1272 5.502,1275 -2.56,1280 18.819,1281 53.053,1282 107.72,1283 127.372,1284 132.127,1285 132.127,1286 132.127,1287 28.758,1288 6.091,1289 36.42,1290 36.42,1291 12,1292 11.957,1293 3,1294 2.322,1295 28.416,1296 47,1297 42,1298 0.332,1299 120.902,1300 213.03,1301 286.761,1302 2733,1303 10.3,1304 12.414,1305 0.73,1306 0.584,1307 11.336,1308 9.931,1309 8.075,1310 0.449,1311 0.312,1312 5.148,1313 7.357,1314 5.027,1315 4.114,1316 7.508,1317 5.607,1318 7.532,1319 0.301,1320 0.166,1321 6.72,1322 4.159,1323 5.586,1324 0.18,1325 0.09,1326 5.468,1327 2.8,1328 4.864,1329 0.119,1330 0.051,1331 5.106,1332 2.085,1333 3.666,1334 0.075,1335 0.024,1336 3.48,1337 1.198,1338 0.5,1339 54.63,1340 0.296,1341 16.955,1342 0.964,1343 86,1344 380.736,1345 115.853,1346 341.524,1347 433.78,1348 318,1349 99,1350 269.271,1351 121.555,1352 271.203,1353 403.91,1354 256,1355 5.864} {0 CHEMBL408152,1 1.567,2 5,3 1.557,4 2.423,5 56.11,6 7.084,7 0.4,8 3.406,9 3.545,10 2.925,11 2.865,12 4.53,13 2.859,14 3.902,15 4.092,16 3.264,17 3.221,18 4.98,19 3.194,20 4.057,21 4.256,22 3.33,23 3.348,24 5.097,25 3.309,26 4.111,27 4.314,28 3.203,29 3.329,30 5.122,31 3.249,32 4.166,33 4.435,34 2.868,35 3.173,36 5.151,37 3.025,38 3.943,39 4.265,40 2.101,41 2.77,42 4.72,43 2.523,44 3.388,45 3.76,46 0.963,47 2.123,48 4.078,49 1.781,50 2.778,51 3.25,52 0.114,53 1.242,54 2.89,55 0.779,56 0.032,57 0.407,58 6.087,59 2.143,60 7.615,61 3.114,62 0.173,63 0.605,64 10.892,65 3.73,66 17.303,67 5.251,68 0.18,69 0.702,70 12.725,71 3.829,72 17.26,73 5.884,74 0.109,75 0.698,76 13.439,77 4.335,78 15.936,79 6.532,80 0.294,81 0.624,82 15.34,83 4.202,84 30.384,85 6.733,86 0.202,87 0.418,88 12.894,89 3.609,90 23.75,91 5.745,92 0.115,93 0.225,94 7.441,95 1.834,96 16.044,97 3.256,98 0.061,99 0.078,100 4.348,101 1.143,102 6.739,103 2.017,104 11,105 21,106 0.313,107 0.7,108 0.83,109 0.866,110 0.866,111 0.866,112 2.737,113 0.899,114 -2.52,115 -2.55,116 -2.49,119 37,120 1,124 1,127 1,140 3,141 1,142 2,157 1,161 1,162 1,163 1,169 3,172 3,173 1,174 2,175 1,176 1,177 1,178 3,182 3,184 1,186 2,189 2,193 2,197 4,199 1,201 2,202 1,203 2,205 1,206 1,208 2,211 1,213 2,220 1,224 1,259 156,260 9.37,261 9.37,262 9.37,263 9.37,264 9.37,265 8.358,266 13.778,267 5.436,268 9.7,269 7.326,270 7.326,271 7.326,272 7.326,273 7.326,274 5.745,275 20.297,276 2.464,277 7.768,278 3.188,279 1.256,280 0.602,281 0.426,282 0.426,283 0.426,284 3.375,288 1,289 1,290 143,291 1.871,295 56.472,299 48.717,302 0.714,303 10.296,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 30.5,315 70,316 4.461,317 3.446,318 6.682,319 4.109,320 3.143,321 4.085,322 1.257,323 10.776,324 3.039,325 3.739,326 2.843,327 5.647,328 3.338,329 2.401,330 3.033,331 0.86,332 7.332,333 2.247,334 3.42,335 2.573,336 5.016,337 3.047,338 2.118,339 2.632,340 0.533,341 5.937,342 1.96,343 2.871,344 1.876,345 4.493,346 2.436,347 1.492,348 2.02,349 0.123,350 4.178,351 1.41,352 2.586,353 1.438,354 3.771,355 2.322,356 1.351,357 1.595,359 3.031,360 1.302,361 1.707,362 0.983,363 2.929,364 1.425,365 0.54,366 0.608,368 0.949,369 0.473,370 1.128,371 0.272,372 2.694,373 0.829,374 -0.092,375 -0.104,377 -0.185,378 -0.084,379 0.851,380 -0.01,381 2.411,382 0.483,383 -0.455,384 -0.53,386 -1.163,387 -0.425,388 0.64,389 -0.417,390 2.17,391 0.26,392 -0.701,393 -0.88,395 -1.508,396 -0.666,397 0.276,398 -0.641,399 1.653,400 0.014,401 -0.925,402 -1.036,404 -2.461,405 -0.865,406 -0.296,407 -1.123,408 1.442,409 -0.531,410 -1.482,411 -1.722,413 -3.975,414 -1.377,415 -0.42,416 -1.241,417 1.109,418 -0.682,419 -1.596,420 -2.023,421 -0.331,422 -4.273,423 -1.46,424 -0.5,425 -1.502,426 1,427 -0.879,428 -1.795,429 -2.175,430 -0.562,431 -5.271,432 -1.679,433 -0.636,434 -1.596,435 0.571,436 -1,437 -2,438 -2.504,439 -0.86,440 -6.227,441 -1.877,442 -0.826,443 -2,444 0.412,445 -1.072,446 -2,447 -3,448 -1.02,449 -7.14,450 -2,451 6.533,452 0.467,453 0.366,454 0.026,455 17.75,456 1.268,457 8.5,458 0.607,459 9.25,460 0.661,461 9.05,462 0.646,463 15.667,464 0.58,465 10.566,466 0.755,467 3.671,468 0.262,469 3.049,470 0.218,471 0.214,473 0.383,479 1.057,480 1.36,481 0.868,482 1.119,483 1.238,484 0.972,485 1.045,486 0.909,487 0.791,488 0.876,489 0.716,490 0.822,491 1.099,492 1.097,493 0.997,494 0.971,495 1.044,496 0.954,497 1.125,498 1.433,499 1.166,500 1.382,501 0.996,502 1.299,503 1.044,504 0.974,505 1.224,506 1.104,507 1.063,508 1.176,509 1.131,510 0.865,511 1.074,512 0.941,513 1.094,514 1.011,515 0.698,516 0.633,517 1.097,518 0.836,519 1.421,520 0.979,527 3,529 1.778,530 1.188,531 1.058,532 0.41,533 0.08,537 1109,538 2969,539 1.993,540 48.1,542 7,545 3,547 3,550 1.518,551 1.826,552 2.427,553 1.383,557 1,559 42.302,560 1.567,561 3.499,562 4.152,563 4.329,564 4.329,565 4.329,566 1.809,567 3.236,568 3.784,569 2.441,570 222.147,571 6.345,572 1738.51,574 1,577 128.382,578 1.531,579 3.714,580 0.2,582 0.085,583 0.054,584 0.059,585 0.037,586 0.02,590 0.455,591 0.83,592 1,593 1.02,594 51.11,595 -0.127,596 -0.094,597 0.028,598 -0.02,599 -0.256,600 0.031,601 0.079,602 0.199,603 0.161,604 0.161,605 0.182,606 0.159,607 -0.079,608 0.041,609 -0.056,610 0.028,611 -0.134,612 0.003,613 -0.147,614 -0.371,615 -0.239,616 -0.364,617 -0.102,618 -0.324,619 0.008,620 -0.044,621 -0.247,622 -0.195,624 -0.25,625 -0.12,626 -0.139,627 -0.072,628 -0.037,629 -0.058,630 -0.055,631 -0.073,632 0.099,633 -0.109,634 -0.013,635 -0.292,636 -0.048,637 0.428,638 0.376,639 1.053,640 0.823,641 0.605,642 1.014,643 1.249,644 1.736,645 0.714,646 5.714,647 1.002,648 1.14,649 1.292,650 1.671,651 0.64,652 2.773,653 3.091,654 3.367,655 3.638,656 3.829,657 3.738,658 3.611,659 3.466,660 3.296,661 2.708,662 3.322,663 0.608,664 191.26,665 2.773,666 4.29,667 5.142,668 6.028,669 6.901,670 7.791,671 8.669,672 9.559,673 10.439,674 11.329,675 11.1,676 1,680 1,684 1,688 3,693 3,695 6,707 1,712 1,714 27,716 7,717 1,718 15,720 28,721 10,722 6,723 3,724 3,730 2,731 3,734 1,736 1,740 1,743 1,745 7,746 3,750 1,758 1,759 1,761 1,764 13,765 4,766 3,767 4,773 3,777 0.5,778 1,793 2,797 1,812 1,819 1,823 2,827 14,828 1,834 1,835 1,837 1,847 3.7,852 1,854 7.667,855 5.283,856 3.167,857 1.464,858 1.621,859 1.282,860 0.958,861 2.334,862 7.37,863 2.996,864 3.57,865 4.107,866 4.648,867 5.146,868 5.249,869 5.43,870 5.545,871 5.664,872 5.089,873 1,874 22,875 5.121,876 0.002,877 2.088,878 7.714,879 9.744,880 0.001,881 7.685,882 -0.001,883 2.214,884 31,885 0.005,888 117.711,889 61.222,890 67.693,892 11,895 61.222,896 128.711,897 67.693,898 19.708,899 32.897,900 28.429,901 18.011,902 38.971,903 1.899,904 117.711,906 117.711,907 128.915,908 11,911 82.398,912 46.313,915 58.508,916 52.397,917 18.011,919 117.711,920 78.693,921 61.222,924 117.711,925 13.085,926 48.137,927 18.011,928 60.683,929 117.711,930 78.693,931 61.222,933 0.578,934 0.355,935 0.203,936 0.11,937 11,938 5,939 0.036,940 1,941 1,942 1.2,943 2.521,944 90.37,945 0.2,946 10,947 53.303,951 9.339,952 3.498,953 1.584,955 78.693,956 5.871,961 2.834,963 50.908,964 257.626,965 19,973 4.227,974 0.439,975 27.051,976 30.78,977 0.33,978 0.736,979 0.873,980 0.91,981 0.91,982 0.91,983 4.227,984 -0.455,985 5.142,986 -0.185,987 3.761,988 4.248,989 1.762,990 5.979,991 3.658,992 5.435,993 -0.701,994 6.72,995 -1.163,996 3.434,997 4.086,998 0.623,999 6.952,1000 3.295,1001 6.749,1002 -0.925,1003 8.401,1004 -1.508,1005 5.371,1006 6.406,1007 1.769,1008 10.065,1009 5.186,1010 8.099,1011 -1.482,1012 10.14,1013 -2.461,1014 5.832,1015 7.025,1016 1.104,1017 11.856,1018 5.616,1019 9.48,1020 -1.596,1021 11.917,1022 -3.975,1023 7.281,1024 8.856,1025 1.936,1026 14.506,1027 7.033,1028 10.883,1029 -1.795,1030 13.72,1031 -4.273,1032 8.116,1033 9.86,1034 1.569,1035 16.639,1036 7.84,1037 12.303,1038 -2,1039 15.543,1040 -5.271,1041 9.372,1042 11.474,1043 2.198,1044 19.122,1045 9.067,1046 3.143,1047 -2,1048 17.381,1049 -6.227,1050 10.379,1051 12.675,1052 2.032,1053 21.399,1054 10.045,1055 2.401,1056 10.776,1057 19.23,1058 -7.14,1059 11.56,1060 14.186,1061 2.525,1062 23.818,1063 11.199,1064 2.118,1065 7.332,1066 21.088,1067 4.085,1068 12.644,1069 15.486,1070 2.494,1071 26.153,1072 12.253,1073 1.492,1074 5.937,1075 22.954,1076 3.033,1077 13.799,1078 16.946,1079 2.897,1080 28.548,1081 13.379,1082 1.351,1083 4.178,1084 24.826,1085 2.632,1086 14.916,1087 18.298,1088 2.956,1089 30.907,1090 14.464,1091 0.54,1092 3.031,1093 26.703,1094 2.02,1095 16.063,1096 19.733,1097 3.299,1098 33.292,1099 15.58,1100 -0.092,1101 0.949,1102 28.584,1103 1.595,1104 17.195,1105 21.11,1106 3.417,1107 35.661,1108 16.68,1109 1193,1110 2010,1111 9.652,1112 17.279,1113 22.367,1114 22.397,1115 23.475,1116 22.075,1117 22.091,1118 27.946,1119 5.546,1120 64.407,1121 20.863,1122 5.287,1123 5.446,1124 6.27,1125 5.181,1126 5.143,1127 7.085,1128 2.276,1129 17.916,1130 5.039,1131 6.975,1132 1.491,1133 1.493,1134 1.565,1135 1.472,1136 1.473,1137 1.863,1138 0.37,1139 4.294,1140 1.391,1141 3.996,1142 4.031,1143 3.951,1144 3.9,1145 5.162,1146 3.907,1147 3.525,1148 3.588,1149 3.437,1150 3.334,1151 4.83,1152 3.346,1153 3.274,1154 3.356,1155 3.121,1156 3.019,1157 4.428,1158 3.037,1159 3.183,1160 3.277,1161 2.955,1162 2.907,1163 4.191,1164 2.907,1165 2.8,1166 2.907,1167 2.648,1168 2.587,1169 3.815,1170 2.592,1171 2.711,1172 2.793,1173 2.498,1174 2.562,1175 3.508,1176 2.537,1177 2.318,1178 2.451,1179 2.068,1180 1.943,1181 3.405,1182 1.944,1183 2.239,1184 2.373,1185 1.953,1186 1.831,1187 3.029,1188 1.844,1189 0.297,1190 0.23,1191 0.445,1192 0.274,1193 0.21,1194 4.461,1195 0.272,1196 3.446,1197 0.084,1198 6.682,1199 0.718,1200 4.109,1201 0.203,1202 3.143,1203 4.085,1204 1.257,1205 10.776,1206 3.039,1207 1.947,1208 1.92,1209 2.043,1210 2.071,1211 1.215,1212 2.063,1213 1.474,1214 1.412,1215 1.712,1216 1.699,1217 0.812,1218 1.697,1219 1.212,1220 1.136,1221 1.562,1222 1.516,1223 0.57,1224 1.524,1225 1.155,1226 1.054,1227 1.444,1228 1.467,1229 0.338,1230 1.495,1231 0.755,1232 0.677,1233 1.065,1234 1.074,1235 0.147,1236 1.08,1237 0.738,1238 0.659,1239 1.028,1240 0.945,1242 0.983,1243 0.265,1244 0.123,1245 0.715,1246 0.639,1248 0.669,1249 0.193,1250 0.038,1251 0.575,1252 0.56,1254 0.573,1255 3.434,1257 4.745,1259 6.282,1261 7.93,1263 9.633,1265 3.649,1269 5.647,1272 3.013,1273 5.236,1275 0.085,1280 16.413,1281 42.302,1282 94.466,1283 112.117,1284 116.872,1285 116.872,1286 116.872,1287 14.662,1288 5.749,1289 59.64,1290 59.64,1291 12,1292 11.86,1293 3,1294 2.322,1295 21.082,1296 28,1297 26,1298 0.412,1299 104.577,1300 177.17,1301 246.927,1302 1690,1304 10.129,1305 0.724,1306 0.589,1307 10.129,1308 8.242,1309 6.72,1310 0.448,1311 0.3,1312 4.409,1313 6.4,1314 4.243,1315 3.567,1316 6.72,1317 4.493,1318 5.981,1319 0.285,1320 0.154,1321 5.981,1322 3.24,1323 4.972,1324 0.178,1325 0.083,1326 4.972,1327 2.314,1328 4.344,1329 0.117,1330 0.044,1331 4.344,1332 1.639,1333 3.362,1334 0.075,1335 0.023,1336 3.362,1337 1.028,1338 0.584,1339 42.538,1340 0.322,1341 13.611,1342 1.325,1343 72,1344 207.026,1345 80.179,1346 199.819,1347 277.1,1348 188,1349 85,1350 208.109,1351 92.875,1352 211.753,1353 308.4,1354 198,1355 6.351} {0 CHEMBL412876,1 1.378,2 7.056,3 3.033,4 9.198,5 74.815,6 6.431,7 0.5,8 3.724,9 3.858,10 3.186,11 3.239,12 4.65,13 3.196,14 4.309,15 4.517,16 3.52,17 3.656,18 5.139,19 3.588,20 4.505,21 4.722,22 3.529,23 3.804,24 5.299,25 3.686,26 4.603,27 4.867,28 3.435,29 3.786,30 5.314,31 3.635,32 4.494,33 4.758,34 3.311,35 3.653,36 5.224,37 3.495,38 4.395,39 4.661,40 3.075,41 3.496,42 5.11,43 3.323,44 4.317,45 4.627,46 2.76,47 3.296,48 4.966,49 3.088,50 4.029,51 4.336,52 2.453,53 3.035,54 4.673,55 2.806,56 0.043,57 0.549,58 9.28,59 3.623,60 6.403,61 5.204,62 0.163,63 0.892,64 17.161,65 5.961,66 12.896,67 8.759,68 0.15,69 1.037,70 20.61,71 8.018,72 16.105,73 11.445,74 0.175,75 1.081,76 22.738,77 8.509,78 17.792,79 12.476,80 0.217,81 0.98,82 20.458,83 7.443,84 17.257,85 11.063,86 0.167,87 0.861,88 18.616,89 6.444,90 16.264,91 9.662,92 0.246,93 0.759,94 17.422,95 5.38,96 16.014,97 8.482,98 0.092,99 0.549,100 12.696,101 4.627,102 11.347,103 6.912,104 8,105 28,106 0.251,107 0.588,108 0.795,109 0.824,110 0.824,111 0.824,112 2.962,113 0.997,114 -3.21,115 -3.2,116 -3.07,119 39.5,121 3,124 2,125 2,140 2,141 3,142 1,149 1,150 1,169 6,172 4,176 3,178 6,182 4,186 3,189 7,193 2,197 1,199 6,203 2,206 2,208 1,211 3,215 2,225 1,226 2,259 364,260 12.276,261 12.276,262 12.276,263 12.276,264 12.276,265 11.126,266 14.286,267 7.308,268 12.575,269 9.892,270 9.892,271 9.892,272 9.892,273 9.892,274 8.045,275 15.278,276 3.475,277 10.354,278 3.87,279 2.02,280 0.882,281 0.724,282 0.724,283 0.724,284 3.642,287 1,288 1,289 1,290 273,291 2.739,294 27.74,295 64.16,298 48.259,299 54.587,302 1.068,303 8.005,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38,315 127,316 4.679,317 3.399,318 6.911,319 4.235,320 3.25,321 4.639,322 0.86,323 11.625,324 3.202,325 3.877,326 2.862,327 5.879,328 3.51,329 2.554,330 3.336,331 0.8,332 8.123,333 2.442,334 3.426,335 2.56,336 5.142,337 3.151,338 2.225,339 2.771,341 6.06,342 2.069,343 3.174,344 2.097,345 4.698,346 2.907,347 1.939,348 2.218,350 5.096,351 1.864,352 2.895,353 2.023,354 4.551,355 2.567,356 1.604,357 2.006,359 4.538,360 1.539,361 2.553,362 1.645,363 3.746,364 2.396,365 1.443,366 1.559,368 3.092,369 1.366,370 2.238,371 1.023,372 3.565,373 1.805,374 0.86,375 1.156,377 2.106,378 0.811,379 1.95,380 0.929,381 3.254,382 1.726,383 0.784,384 0.884,386 1.841,387 0.732,388 1.596,389 0.52,390 2.915,391 1.39,392 0.422,393 0.486,395 0.972,396 0.407,397 0.796,398 -0.191,399 2.391,400 0.453,401 -0.494,402 -0.589,404 -1.197,405 -0.461,406 0.752,407 -0.252,408 2.274,409 0.43,410 -0.537,411 -0.631,413 -1.434,414 -0.517,415 0.191,416 -0.6,417 2,418 0.011,419 -0.943,420 -1,422 -2,423 -0.891,424 0.158,425 -0.65,426 2,427 -0.1,428 -1,429 -1.034,431 -2.444,432 -0.9,434 -1.024,435 1.798,436 -0.167,437 -1.132,438 -1.454,440 -3.127,441 -1.093,442 -0.215,443 -1.24,444 1.262,445 -0.558,446 -1.489,447 -1.728,449 -3.976,450 -1.368,451 8.633,452 0.48,453 0.418,454 0.023,455 20.25,456 1.125,457 8.5,458 0.472,459 11.75,460 0.653,461 14.852,462 0.825,463 20.167,464 0.531,465 11.896,466 0.661,467 3.897,468 0.216,469 4.857,470 0.27,471 0.116,473 0.336,479 0.959,480 1.431,481 0.924,482 1.203,483 0.923,484 1.077,485 1.42,486 0.894,487 0.968,488 0.825,489 1.011,490 0.835,491 1.078,492 1.123,493 1.059,494 1.133,495 1.094,496 1.105,497 0.894,498 1.019,499 0.943,500 1.002,501 0.984,502 0.985,503 0.655,504 1.073,505 1.002,506 1.114,507 0.788,508 1.094,509 1.171,510 1.222,511 1.146,512 1.159,513 1.227,514 1.156,515 1.109,516 0.846,517 1.125,518 0.886,519 1.087,520 0.976,521 0.695,522 1.034,523 0.994,524 1.118,525 0.713,526 1.09,527 3,529 2,530 1.097,531 0.952,532 0.341,533 0.338,534 0.172,535 0.094,536 0.031,537 2619,538 5087,539 2.12,540 52.6,541 2,542 12,543 1,545 1,547 4,550 1.591,551 2,552 2.829,553 -0.334,555 1,557 1,559 52.379,560 1.378,561 3.228,562 4.366,563 4.524,564 4.524,565 4.524,566 2.261,567 3.837,568 4.138,569 2.948,570 451.002,571 7.046,572 4135.97,573 1,574 1,576 1,577 199.421,578 1.352,579 4.109,580 0.15,582 0.071,583 0.041,584 0.04,585 0.017,586 0.023,587 0.017,588 0.013,589 0.016,590 0.388,591 1,592 1,593 1.279,594 74.811,595 0.018,596 -0.185,597 0.081,598 -0.07,599 0.036,601 -0.154,602 0.24,603 0.057,604 0.192,605 0.031,606 0.16,607 -0.077,608 -0.077,609 -0.082,610 -0.08,611 -0.082,612 -0.082,613 -0.027,614 -0.049,615 0.018,616 -0.003,617 -0.05,618 0.009,619 0.165,620 -0.072,621 -0.04,622 -0.135,623 0.08,624 -0.113,625 -0.108,626 -0.255,627 -0.168,628 -0.196,629 -0.169,630 -0.194,631 -0.046,632 0.105,633 -0.14,634 -0.008,635 -0.102,636 -0.069,637 0.036,638 -0.15,639 -0.057,640 -0.173,641 0.122,642 -0.128,643 0.643,644 2.257,645 0.722,646 11.025,647 0.986,648 1.13,649 1.978,650 3.914,651 0.64,652 3.045,653 3.367,654 3.664,655 3.989,656 4.234,657 4.304,658 4.431,659 4.522,660 4.431,661 4.29,662 4.353,663 0.592,664 244.37,665 3.045,666 4.575,667 5.434,668 6.326,669 7.215,670 8.118,671 9.018,672 9.926,673 10.832,674 11.742,675 5.3,678 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 38,716 10,717 1,718 20,720 40,721 15,722 8,723 4,724 2,730 3,731 6,740 2,743 3,745 8,746 7,761 1,764 20,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 18,833 5,835 1,838 1,847 2.6,852 1,854 9,855 7.367,856 3.944,857 2.382,858 2.143,859 1.32,860 0.998,861 3.205,862 8.849,863 3.258,864 3.876,865 4.531,866 5.197,867 5.718,868 6.075,869 6.457,870 6.806,871 6.762,872 6.769,873 0.8,874 27,875 6.673,877 2.772,878 7.38,879 13.365,881 11.173,883 1.88,884 33.833,885 0.004,888 223.651,889 75.426,890 19.91,892 11,895 75.426,896 234.651,897 19.91,898 16.793,899 14.302,900 28,902 45.097,903 13.915,904 211.88,906 223.651,907 95.336,908 11,911 176.567,912 58.084,915 34.212,916 61.124,919 223.651,920 30.91,921 75.426,924 223.651,925 30.633,926 47.917,927 16.786,928 11,929 223.651,930 30.91,931 75.426,933 0.577,934 0.328,935 0.189,936 0.111,937 15,938 6,939 0.075,940 3,941 2,942 1.308,943 3.042,944 133.727,945 0.308,946 13,947 71.059,951 11.908,952 4.845,953 2.247,954 2.641,955 14.124,956 6.394,958 3.388,961 3.897,963 16.786,964 329.987,965 25,975 37.483,976 42.943,977 0.263,978 0.615,979 0.832,980 0.862,981 0.862,982 0.862,983 4.494,984 0.784,985 5.416,986 2.106,987 4.043,988 4.559,989 1.235,990 6.252,991 3.966,992 5.693,993 0.422,994 6.982,995 1.841,996 3.611,997 4.477,998 0.325,999 7.239,1000 3.514,1001 7.009,1002 -0.494,1003 8.655,1004 0.972,1005 5.638,1006 6.846,1007 0.938,1008 10.389,1009 5.513,1010 8.371,1011 -0.537,1012 10.396,1013 -1.197,1014 6.066,1015 7.685,1016 0.268,1017 12.281,1018 5.937,1019 9.776,1020 -0.943,1021 12.183,1022 -1.434,1023 7.562,1024 9.529,1025 0.732,1026 14.957,1027 7.41,1028 11.211,1029 -1,1030 14.003,1031 -2,1032 8.398,1033 10.771,1034 0.188,1035 17.199,1036 8.249,1037 12.669,1038 -1.132,1039 15.847,1040 -2.444,1041 9.686,1042 12.42,1043 0.57,1044 19.725,1045 9.519,1046 3.25,1047 -1.489,1048 17.709,1049 -3.127,1050 10.713,1051 13.834,1052 0.125,1053 22.098,1054 10.545,1055 2.554,1056 11.625,1057 19.586,1058 -3.976,1059 11.923,1060 15.41,1061 0.438,1062 24.574,1063 11.741,1064 2.225,1065 8.123,1066 21.474,1067 4.639,1068 13.034,1069 16.894,1070 0.082,1071 26.997,1072 12.846,1073 1.939,1074 6.06,1075 23.371,1076 3.336,1077 14.218,1078 18.443,1079 0.334,1080 29.457,1081 14.017,1082 1.604,1083 5.096,1084 25.274,1085 2.771,1086 15.366,1087 19.957,1088 0.054,1089 31.898,1090 15.156,1091 1.443,1092 4.538,1093 27.183,1094 2.218,1095 16.542,1096 21.496,1097 0.252,1098 34.353,1099 16.319,1100 0.86,1101 3.092,1102 29.096,1103 2.006,1104 17.706,1105 23.021,1106 0.035,1107 36.801,1108 17.472,1109 2605,1110 3708,1111 13.523,1112 24.319,1113 30.279,1114 30.268,1115 30.921,1116 30.185,1117 30.16,1118 38.111,1119 3.32,1120 86.906,1121 28.862,1122 5.624,1123 5.399,1124 6.594,1125 5.317,1126 5.25,1127 7.639,1128 1.72,1129 18.898,1130 5.202,1131 7.313,1132 1.514,1133 1.513,1134 1.546,1135 1.509,1136 1.508,1137 1.906,1138 0.166,1139 4.345,1140 1.443,1141 4.154,1142 4.183,1143 4.115,1144 4.073,1145 4.985,1146 4.08,1147 3.701,1148 3.765,1149 3.585,1150 3.54,1151 4.598,1152 3.541,1153 3.608,1154 3.684,1155 3.463,1156 3.399,1157 4.315,1158 3.401,1159 3.317,1160 3.38,1161 3.176,1162 3.188,1163 4.018,1164 3.179,1165 3.087,1166 3.183,1167 2.885,1168 2.875,1169 3.764,1170 2.864,1171 2.942,1172 3.014,1173 2.764,1174 2.761,1175 3.656,1176 2.749,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.669,1184 2.731,1185 2.498,1186 2.452,1187 3.353,1188 2.455,1189 0.234,1190 0.17,1191 0.346,1192 0.212,1193 0.162,1194 4.679,1195 0.232,1196 3.399,1197 0.043,1198 6.911,1199 0.581,1200 4.235,1201 0.16,1202 3.25,1203 4.639,1204 0.86,1205 11.625,1206 3.202,1207 1.988,1208 1.971,1209 2.082,1210 2.079,1211 1.363,1212 2.08,1213 1.688,1214 1.624,1215 1.912,1216 1.902,1217 1.173,1218 1.911,1219 1.546,1220 1.486,1221 1.767,1222 1.759,1223 0.978,1224 1.762,1225 1.431,1226 1.352,1227 1.688,1228 1.64,1229 0.784,1230 1.663,1231 1.086,1232 1.003,1233 1.417,1234 1.338,1235 0.542,1236 1.366,1237 0.966,1238 0.901,1239 1.393,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.272,1246 1.208,1247 0.433,1248 1.232,1249 0.77,1250 0.693,1251 1.066,1252 0.971,1253 0.233,1254 1.011,1255 3.714,1257 5.03,1258 2.398,1259 6.553,1260 4.727,1261 8.18,1262 6.843,1263 9.87,1265 4.237,1271 5.292,1273 5.757,1276 2.227,1280 22.499,1281 52.379,1282 122.666,1283 165.911,1284 171.911,1285 171.911,1286 171.911,1287 19.216,1288 6.706,1289 28.26,1290 28.26,1291 17,1292 12.258,1293 3.459,1294 2.585,1295 25.607,1296 45,1297 49,1298 0.286,1299 138.351,1300 229.41,1301 329.336,1302 6284,1304 12.535,1305 0.696,1306 0.618,1307 12.535,1308 11.123,1309 8.754,1310 0.438,1311 0.332,1312 6.557,1313 8.434,1314 6.327,1315 5.269,1316 8.754,1317 6.649,1318 7.932,1319 0.283,1320 0.189,1321 7.932,1322 5.284,1323 6.482,1324 0.171,1325 0.096,1326 6.482,1327 3.65,1328 5.648,1329 0.107,1330 0.051,1331 5.648,1332 2.709,1333 4.796,1334 0.071,1335 0.029,1336 4.796,1337 2.003,1338 0.426,1339 54.668,1340 0.272,1341 17.697,1342 0.854,1343 96,1344 223.714,1345 102.679,1346 216.567,1347 305.69,1348 206,1349 114,1350 229.835,1351 121.485,1352 235.941,1353 347.08,1354 221,1355 6.658} {0 CHEMBL413105,1 1.253,2 5.813,3 3.078,4 9.473,5 68.022,6 6.304,7 0.556,8 3.608,9 3.75,10 3.062,11 3.171,12 4.514,13 3.112,14 4.192,15 4.405,16 3.421,17 3.613,18 4.979,19 3.528,20 4.435,21 4.661,22 3.435,23 3.79,24 5.173,25 3.653,26 4.584,27 4.856,28 3.284,29 3.793,30 5.243,31 3.6,32 4.543,33 4.864,34 2.996,35 3.584,36 5.12,37 3.349,38 4.187,39 4.507,40 2.755,41 3.224,42 4.826,43 3.02,44 3.812,45 4.093,46 2.31,47 2.925,48 4.564,49 2.707,50 3.656,51 4.015,52 1.168,53 2.451,54 4.22,55 2.086,56 0.045,57 0.501,58 8.301,59 3.245,60 6.504,61 4.79,62 0.113,63 0.842,64 15.092,65 5.49,66 9.884,67 8.275,68 0.115,69 1.023,70 19.008,71 7.593,72 12.144,73 11.144,74 0.119,75 1.096,76 21.846,77 8.919,78 14.495,79 13.056,80 0.124,81 0.979,82 20.914,83 8.137,84 14.82,85 12.127,86 0.137,87 0.703,88 14.817,89 5.255,90 12.22,91 8.002,92 0.076,93 0.497,94 10.12,95 3.645,96 10.779,97 5.542,98 0.076,99 0.367,100 8.576,101 2.898,102 9.154,103 4.51,104 6,105 26,106 0.234,107 0.583,108 0.761,109 0.81,110 0.821,111 0.821,112 2.856,113 1,114 -3.91,115 -3.87,116 -3.67,119 41.2,121 3,124 2,127 1,140 3,141 3,149 1,150 1,169 8,172 2,176 3,178 11,182 2,186 2,189 11,193 2,197 2,199 5,203 2,208 1,211 1,215 1,218 1,220 1,259 230,260 10.861,261 10.861,262 10.861,263 10.861,264 10.861,265 9.704,266 10.393,267 6.266,268 11.034,269 8.877,270 8.877,271 8.877,272 8.877,273 8.877,274 7.106,275 12.112,276 2.943,277 9.137,278 3.834,279 1.966,280 1.008,281 0.75,282 0.691,283 0.691,284 3.53,288 1,289 1,290 203,291 2.345,294 24.621,295 53.173,298 41.914,299 45.494,302 0.859,303 4.59,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 33,315 93,316 4.593,317 3.329,318 6.72,319 4.17,320 3.179,321 4.525,322 0.8,323 10.947,324 3.152,325 3.874,326 2.896,327 5.942,328 3.651,329 2.697,330 3.29,332 8.293,333 2.575,334 3.565,335 2.506,336 5.651,337 3.291,338 2.321,339 2.647,341 7.346,342 2.246,343 3.178,344 1.942,345 4.764,346 2.751,347 1.761,348 2.463,350 5.029,351 1.741,352 2.644,353 1.428,354 3.861,355 2.247,356 1.284,357 1.705,359 2.973,360 1.235,361 2.318,362 1.311,363 3.75,364 2.163,365 1.193,366 1.307,368 2.858,369 1.153,370 2.085,371 0.914,372 3.424,373 1.793,374 0.821,375 0.992,377 2.058,378 0.797,379 1.903,380 0.599,381 3.134,382 1.515,383 0.54,384 0.737,386 1.317,387 0.526,388 0.887,389 -0.202,390 2.513,391 0.613,392 -0.372,393 -0.434,395 -0.95,396 -0.365,397 0.632,398 -0.529,399 2.334,400 0.299,401 -0.691,402 -0.808,404 -1.902,405 -0.683,406 0.252,407 -0.6,408 2.18,409 -0.042,410 -1,411 -1,413 -2,414 -0.9,416 -0.98,417 1.815,418 -0.1,419 -1.031,420 -1.39,422 -3.009,423 -1.018,424 -0.081,425 -1.192,426 1.514,427 -0.407,428 -1.371,429 -1.625,431 -3.876,432 -1.311,433 -0.17,434 -1.509,435 1.343,436 -0.632,437 -1.604,438 -1.981,440 -4.87,441 -1.54,442 -0.444,443 -1.621,444 1,445 -0.818,446 -1.766,447 -2.148,449 -5.222,450 -1.699,451 7.8,452 0.488,453 0.418,454 0.026,455 18.25,456 1.141,457 8,458 0.5,459 10.25,460 0.641,461 12.92,462 0.807,463 17.4,464 0.512,465 9.962,466 0.623,467 3.45,468 0.216,469 4.304,470 0.269,471 0.128,473 0.372,479 1.106,480 1.344,481 0.954,482 1.105,483 1.04,484 1.034,485 1.519,486 0.927,487 0.963,488 0.828,489 0.857,490 0.851,491 1.067,492 1.102,493 1.13,494 1.13,495 0.969,496 1.134,497 0.717,498 1.096,499 1.058,500 1.148,501 0.955,502 1.131,503 0.642,504 0.981,505 0.878,506 0.976,507 0.857,508 0.949,509 1.012,510 0.862,511 0.9,512 0.859,513 0.834,514 0.869,515 1.401,516 1.198,517 1.329,518 1.253,519 1.512,520 1.28,521 1.48,522 0.851,523 1.22,524 0.991,525 1.878,526 1.071,527 3,529 2.222,530 0.813,531 0.898,532 0.493,533 0.215,534 0.137,537 1861,538 3337,539 2.135,540 52.9,541 2,542 10,543 1,545 1,547 4,550 1.556,551 2,552 2.635,553 -0.352,555 1,556 1,557 1,559 42.612,560 1.253,561 3.121,562 4.08,563 4.337,564 4.396,565 4.396,566 1.924,567 3.75,568 3.976,569 2.685,570 322.155,571 6.714,572 2705.9,573 1,574 1,576 1,577 172.974,578 1.406,579 3.933,580 0.167,582 0.085,583 0.032,584 0.045,585 0.035,586 0.02,587 0.023,590 0.407,591 1,592 1,593 0.875,594 62.451,595 0.052,596 -0.131,597 0.078,598 -0.015,599 0.041,600 0.025,601 -0.162,602 0.212,603 0.064,604 0.182,605 0.069,606 0.147,607 -0.142,608 -0.044,609 -0.149,610 -0.101,611 -0.093,612 -0.121,613 -0.02,614 -0.148,615 -0.11,616 -0.147,617 -0.096,618 -0.137,619 0.101,620 -0.112,621 0.062,622 -0.028,623 0.028,624 0.007,625 0.151,626 0.058,627 0.073,628 0.05,629 0.185,630 0.055,631 -0.245,632 -0.221,633 -0.355,634 -0.316,635 -0.249,636 -0.339,637 -0.287,638 -0.002,639 -0.268,640 -0.139,641 -0.55,642 -0.191,643 0.631,644 0.8,645 0.813,646 7.422,647 0.979,648 1.127,649 2.682,650 7.193,651 0.65,652 2.944,653 3.296,654 3.611,655 3.892,656 4.127,657 4.248,658 4.331,659 4.357,660 4.304,661 4.078,662 3.772,663 0.596,664 214.34,665 2.944,666 4.489,667 5.361,668 6.256,669 7.149,670 8.049,671 8.948,672 9.85,673 10.752,674 11.655,675 5.9,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 34,716 10,717 1,718 18,720 36,721 14,722 8,723 4,724 2,730 3,731 6,740 4,743 4,745 8,746 6,761 1,764 18,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 16,833 3,837 1,838 1,854 8,855 6.617,856 3.444,857 2.106,858 2.121,859 1.328,860 1.011,861 2.341,862 8.598,863 3.178,864 3.812,865 4.456,866 5.083,867 5.576,868 5.946,869 6.3,870 6.63,871 6.533,872 6.551,873 0.75,874 25,875 5.933,877 2.502,878 7.313,879 11.996,881 10.338,883 1.813,884 29,885 0.009,888 200.109,889 72.961,890 19.91,895 72.961,896 200.109,897 19.91,898 16.793,899 7.604,900 37.476,902 28.854,903 13.915,904 188.338,906 200.109,907 92.871,911 153.024,912 47.084,915 27.513,916 65.357,919 200.109,920 19.91,921 72.961,924 200.109,925 18.692,926 57.393,927 16.786,929 200.109,930 19.91,931 72.961,933 0.592,934 0.353,935 0.189,936 0.102,937 15,938 6,939 0.028,940 1,941 2,942 1.308,943 2.823,944 116.024,945 0.308,946 13,947 62,951 10.064,952 3.722,953 1.621,954 2.696,955 3.124,956 8.765,958 3.3,961 3.105,963 16.786,964 292.979,965 23,975 33.272,976 38.318,977 0.246,978 0.613,979 0.802,980 0.853,981 0.864,982 0.864,983 4.425,984 0.54,985 5.361,986 2.058,987 3.97,988 4.494,989 0.673,990 6.209,991 3.922,992 5.634,993 -0.372,994 6.944,995 1.317,996 3.611,997 4.388,998 0.325,999 7.186,1000 3.531,1001 6.953,1002 -0.691,1003 8.629,1004 -0.95,1005 5.595,1006 6.765,1007 0.379,1008 10.296,1009 5.51,1010 8.313,1011 -1,1012 10.372,1013 -1.902,1014 6.066,1015 7.556,1016 0.268,1017 12.098,1018 5.956,1019 9.71,1020 -1.031,1021 12.153,1022 -2,1023 7.525,1024 9.402,1025 0.239,1026 14.726,1027 7.413,1028 11.132,1029 -1.371,1030 13.958,1031 -3.009,1032 8.363,1033 10.595,1034 0.188,1035 16.863,1036 8.235,1037 12.574,1038 -1.604,1039 15.781,1040 -3.876,1041 9.62,1042 12.237,1043 0.156,1044 19.332,1045 9.49,1046 3.179,1047 -1.766,1048 17.617,1049 -4.87,1050 10.625,1051 13.609,1052 0.125,1053 21.612,1054 10.486,1055 2.697,1056 10.947,1057 19.463,1058 -5.222,1059 11.805,1060 15.171,1061 0.102,1062 24.028,1063 11.664,1064 2.321,1065 8.293,1066 21.317,1067 4.525,1068 12.886,1069 16.621,1070 0.082,1071 26.369,1072 12.738,1073 1.761,1074 7.346,1075 23.177,1076 3.29,1077 14.04,1078 18.151,1079 0.066,1080 28.768,1081 13.889,1082 1.284,1083 5.029,1084 25.043,1085 2.647,1086 15.156,1087 19.635,1088 0.054,1089 31.137,1090 15.001,1091 1.193,1092 2.973,1093 26.915,1094 2.463,1095 16.302,1096 21.152,1097 0.043,1098 33.53,1099 16.144,1100 0.821,1101 2.858,1102 28.79,1103 1.705,1104 17.436,1105 22.65,1106 0.035,1107 35.912,1108 17.272,1109 1845,1110 2528,1111 12.137,1112 22.103,1113 27.877,1114 27.573,1115 28.271,1116 27.605,1117 27.591,1118 35.332,1119 1.6,1120 81.64,1121 26.851,1122 5.538,1123 5.329,1124 6.227,1125 5.17,1126 5.179,1127 7.525,1128 1.2,1129 18.159,1130 5.152,1131 6.448,1132 1.549,1133 1.532,1134 1.571,1135 1.534,1136 1.533,1137 1.963,1138 0.089,1139 4.536,1140 1.492,1141 4.151,1142 4.184,1143 4.104,1144 4.078,1145 4.968,1146 4.08,1147 3.764,1148 3.832,1149 3.653,1150 3.612,1151 4.404,1152 3.613,1153 3.461,1154 3.542,1155 3.326,1156 3.283,1157 4.225,1158 3.283,1159 3.197,1160 3.268,1161 3.025,1162 3.05,1163 3.876,1164 3.034,1165 3.037,1166 3.124,1167 2.845,1168 2.873,1169 3.567,1170 2.854,1171 2.874,1172 3.009,1173 2.586,1174 2.619,1175 3.467,1176 2.602,1177 2.767,1178 2.846,1179 2.499,1180 2.618,1181 3.34,1182 2.57,1183 2.363,1184 2.491,1185 2.151,1186 2.176,1187 2.996,1188 2.158,1189 0.255,1190 0.185,1191 0.373,1192 0.232,1193 0.177,1194 4.593,1195 0.251,1196 3.329,1197 0.044,1198 6.72,1199 0.608,1200 4.17,1201 0.175,1202 3.179,1203 4.525,1204 0.8,1205 10.947,1206 3.152,1207 2.027,1208 2.002,1209 2.137,1210 2.11,1211 1.463,1212 2.121,1213 1.645,1214 1.583,1215 1.84,1216 1.848,1217 1.035,1218 1.85,1219 1.478,1220 1.418,1221 1.674,1222 1.697,1223 0.836,1224 1.697,1225 1.352,1226 1.269,1227 1.638,1228 1.55,1229 0.707,1230 1.586,1231 1.1,1232 1.021,1233 1.419,1234 1.305,1235 0.611,1236 1.349,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.853,1244 0.778,1245 1.13,1246 1.062,1247 0.315,1248 1.095,1249 0.645,1250 0.565,1251 1.001,1252 0.866,1253 0.137,1254 0.918,1255 3.611,1257 4.949,1258 2.398,1259 6.494,1260 4.595,1261 8.138,1262 6.605,1263 9.836,1265 4.375,1271 3.701,1275 0.702,1276 2.356,1280 20.257,1281 42.612,1282 106.113,1283 138.709,1284 147.464,1285 149.464,1286 149.464,1287 15.464,1288 6.477,1289 19.03,1290 19.03,1291 17,1292 12.175,1293 3.459,1294 2.585,1295 21.679,1296 36,1297 32,1298 0.315,1299 124.762,1300 203.32,1301 296.179,1302 4540,1304 11.121,1305 0.695,1306 0.622,1307 11.121,1308 9.955,1309 7.754,1310 0.431,1311 0.333,1312 5.941,1313 7.568,1314 5.707,1315 4.761,1316 7.754,1317 5.998,1318 7.173,1319 0.276,1320 0.192,1321 7.173,1322 5.002,1323 6.208,1324 0.172,1325 0.107,1326 6.208,1327 3.86,1328 5.206,1329 0.108,1330 0.059,1331 5.206,1332 2.817,1333 4.161,1334 0.068,1335 0.033,1336 4.161,1337 2.035,1338 0.46,1339 47.722,1340 0.287,1341 15.622,1342 0.969,1343 88,1344 169.978,1345 91.469,1346 172.849,1347 248.14,1348 164,1349 106,1350 190.732,1351 109.997,1352 199.692,1353 291.59,1354 187,1355 7.921} {0 CHEMBL414420,1 1.154,2 12.364,3 6.143,4 37.732,5 96.823,6 5.566,7 0.435,8 4.009,9 4.168,10 3.304,11 3.545,12 4.853,13 3.45,14 4.595,15 4.823,16 3.549,17 3.946,18 5.309,19 3.794,20 4.889,21 5.186,22 3.541,23 4.057,24 5.508,25 3.856,26 4.883,27 5.182,28 3.461,29 4.023,30 5.497,31 3.81,32 4.838,33 5.145,34 3.357,35 3.94,36 5.455,37 3.715,38 4.762,39 5.069,40 3.229,41 3.857,42 5.369,43 3.627,44 4.698,45 5.015,46 3.116,47 3.765,48 5.267,49 3.523,50 4.601,51 4.922,52 2.994,53 3.657,54 5.17,55 3.415,56 0.074,57 0.742,58 13.593,59 5.546,60 8.895,61 8.179,62 0.118,63 1.183,64 22.775,65 9.433,66 13.448,67 13.837,68 0.152,69 1.404,70 28.457,71 11.708,72 19.239,73 17.214,74 0.156,75 1.381,76 28.182,77 11.433,78 19.476,79 16.897,80 0.176,81 1.295,82 26.702,83 10.779,84 21.023,85 15.889,86 0.147,87 1.197,88 24.755,89 9.789,90 18.214,91 14.601,92 0.127,93 1.094,94 22.793,95 9.211,96 15.583,97 13.632,98 0.123,99 0.987,100 20.661,101 8.203,102 14.243,103 12.215,104 20,105 28,106 0.195,107 0.468,108 0.658,109 0.762,110 0.828,111 0.872,112 3.144,113 1.192,114 -6.27,115 -6.11,116 -5.67,119 37,120 1,121 10,125 1,140 3,141 3,149 1,150 1,161 1,162 1,163 1,169 16,176 4,178 17,180 1,186 4,189 17,191 1,197 2,199 15,201 1,207 1,208 2,210 1,211 13,213 1,220 3,222 11,224 2,231 3,233 10,235 2,242 2,244 9,246 1,254 2,256 8,258 1,259 752,260 15.397,261 15.397,262 15.397,263 15.397,264 15.397,265 14.268,266 7.026,267 9.985,268 15.47,269 11.346,270 11.346,271 11.346,272 11.346,273 11.346,274 9.58,275 2.941,276 4.699,277 11.464,278 4.601,279 2.993,280 1.871,281 1.255,282 0.866,283 0.607,284 3.815,289 1,290 560,291 3.606,294 56.08,295 62.572,298 98.798,302 1.909,303 7.542,306 0.75,307 0.67,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.74,314 45,315 272,316 4.55,317 3.172,318 6.546,319 4.079,320 3.092,321 4.504,323 10.36,324 3.054,325 3.715,326 2.624,327 5.317,328 3.385,329 2.387,330 3.129,332 6.863,333 2.382,334 3.346,335 2.142,336 5.096,337 2.965,338 1.981,339 2.675,341 5.914,342 1.949,343 2.905,344 1.895,345 4.159,346 2.888,347 1.89,348 1.913,350 3.79,351 1.884,352 2.751,353 1.613,354 3.897,355 2.611,356 1.613,357 1.847,359 3.523,360 1.61,361 2.626,362 1.394,363 3.618,364 2.309,365 1.328,366 1.63,368 3.15,369 1.301,370 2.343,371 1.237,372 3.339,373 2.202,374 1.206,375 1.313,377 2.329,378 1.201,379 2.206,380 1.127,381 3.206,382 2.012,383 1.053,384 1.191,386 2.048,387 1.007,388 1.973,389 0.812,390 3.023,391 1.725,392 0.735,393 0.865,395 1.407,396 0.727,397 1.701,398 0.629,399 2.768,400 1.551,401 0.579,402 0.657,404 1.116,405 0.562,406 1.216,407 0.22,408 2.362,409 1.131,410 0.136,411 0.143,413 0.246,414 0.135,415 0.906,416 -0.097,417 2.157,418 0.709,419 -0.27,420 -0.3,422 -0.494,423 -0.264,424 0.678,425 -0.353,426 2,427 0.483,428 -0.495,429 -0.532,431 -0.874,432 -0.485,433 0.539,434 -0.718,435 1.87,436 0.233,437 -0.759,438 -0.871,440 -1.559,441 -0.751,442 0.364,443 -0.892,444 1.646,445 0.071,446 -0.917,447 -1.194,449 -2.163,450 -0.906,451 10.8,452 0.491,453 0.239,454 0.011,455 20.25,456 0.92,457 8,458 0.364,459 12.25,460 0.557,461 22.894,462 1.041,463 25.8,464 0.478,465 10.341,466 0.47,467 3.097,468 0.141,469 7.75,470 0.352,471 0.083,473 0.185,479 1.326,480 1.263,481 1.185,482 1.197,483 1.311,484 1.186,485 0.978,486 1.238,487 1.158,488 1.223,489 0.861,490 1.204,491 0.746,492 0.986,493 0.928,494 0.983,495 0.703,496 0.968,497 0.847,498 1.038,499 0.996,500 1.039,501 0.707,502 1.028,503 0.741,504 1.009,505 0.976,506 1.029,507 0.782,508 1.018,509 1.042,510 1.035,511 1.058,512 1.051,513 0.975,514 1.055,515 0.789,516 1.005,517 0.967,518 1.013,519 0.789,520 1.002,521 0.972,522 0.949,523 0.989,524 0.974,525 1.046,526 0.981,527 2.5,528 0.057,529 1.556,530 0.854,531 0.653,532 0.396,533 0.217,534 0.143,535 0.089,536 0.07,537 5516,538 8442,539 2.022,540 59.3,541 21,542 5,543 1,545 3,547 2,550 1.636,551 1.941,552 3.566,553 0.89,559 62.325,560 1.154,561 2.762,562 3.884,563 4.5,564 4.889,565 5.148,566 3.084,567 4.369,568 4.421,569 3.728,570 861.115,571 7.554,572 10318.4,577 310.764,578 1.096,579 4.414,580 0.109,581 0.005,582 0.056,583 0.032,584 0.027,585 0.019,586 0.012,587 0.009,588 0.006,589 0.005,590 0.279,591 0.5,592 0.75,593 2.565,594 105.514,595 -0.075,596 0.073,597 0.016,598 0.056,599 -0.062,600 0.044,601 -0.045,602 -0.083,603 -0.076,604 -0.084,605 0.004,606 -0.082,607 0.044,608 0.008,609 0.055,610 0.036,611 0.07,612 0.044,613 0.003,614 -0.047,615 -0.014,616 -0.032,617 0.031,618 -0.025,619 0.132,620 -0.039,621 -0.005,622 -0.042,623 0.099,624 -0.033,625 -0.069,626 -0.056,627 -0.079,628 -0.071,629 -0.043,630 -0.075,631 0.015,632 -0.063,633 -0.016,634 -0.042,635 0.02,636 -0.032,637 -0.05,638 -0.005,639 -0.033,640 -0.018,641 -0.087,642 -0.023,643 0.783,644 1.692,645 0.409,646 23.488,647 0.971,648 1.134,649 5.04,650 25.403,651 0.619,652 3.178,653 3.367,654 3.584,655 3.807,656 3.951,657 3.989,658 4.043,659 4.06,660 3.912,661 3.85,662 7.014,663 0.555,664 300.54,665 3.178,666 4.635,667 5.434,668 6.26,669 7.093,670 7.94,671 8.792,672 9.652,673 10.515,674 11.384,675 3.7,676 1,683 1,687 2,688 4,690 1,693 2,695 10,714 54,716 10,717 1,718 23,720 55,721 20,722 8,723 3,724 3,730 2,731 3,736 2,743 10,745 8,746 12,764 32,765 1,766 3,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 22,828 1,833 11,854 11.333,855 9.417,856 5.306,857 3.965,858 2.048,859 1.314,860 0.955,861 7.688,862 8.567,863 3.367,864 3.855,865 4.438,866 5.045,867 5.524,868 5.833,869 6.174,870 6.472,871 6.198,872 6.148,873 1,874 27,875 8.189,877 3.232,878 7.303,879 16.748,881 13.626,883 1.803,884 39.667,885 0.002,888 341.362,889 84.841,890 49.683,895 84.841,896 341.362,897 49.683,898 8.825,899 60.348,900 37.476,902 25.73,903 13.915,904 329.591,906 341.362,907 134.523,911 317.82,912 23.542,915 85.959,916 48.564,919 341.362,920 49.683,921 84.841,924 341.362,925 38.539,926 46.301,927 16.786,928 32.897,929 341.362,930 49.683,931 84.841,933 0.532,934 0.3,935 0.166,936 0.09,937 10,938 4,939 0.2,940 11,941 1,942 1.222,943 3.65,944 148.557,945 0.222,946 9,947 98.107,951 17.24,952 9.81,953 5.554,954 2.602,955 32.897,956 8.956,958 3.345,961 2.826,963 49.683,964 475.885,965 28,975 52.458,976 61.225,977 0.201,978 0.48,979 0.675,980 0.782,981 0.85,982 0.895,983 4.527,984 1.053,985 5.333,986 2.329,987 4.043,988 4.538,990 6.043,991 4.022,992 5.652,993 0.735,994 6.812,995 2.048,996 3.219,997 4.227,999 6.783,1000 3.195,1001 6.911,1002 0.579,1003 8.407,1004 1.407,1005 5.501,1006 6.731,1008 9.926,1009 5.462,1010 8.226,1011 0.136,1012 10.079,1013 1.116,1014 5.673,1015 7.453,1017 11.652,1018 5.623,1019 9.592,1020 -0.27,1021 11.804,1022 0.246,1023 7.287,1024 9.348,1026 14.26,1027 7.226,1028 10.993,1029 -0.495,1030 13.568,1031 -0.494,1032 7.967,1033 10.518,1035 16.363,1036 7.89,1037 12.422,1038 -0.759,1039 15.358,1040 -0.874,1041 9.289,1042 12.179,1044 18.796,1045 9.203,1046 3.092,1047 -0.917,1048 17.169,1049 -1.559,1050 10.217,1051 13.543,1053 21.044,1054 10.115,1055 2.387,1056 10.36,1057 18.995,1058 -2.163,1059 11.418,1060 15.11,1062 23.417,1063 11.305,1064 1.981,1065 6.863,1066 20.832,1067 4.504,1068 12.458,1069 16.555,1071 25.72,1072 12.33,1073 1.89,1074 5.914,1075 22.678,1076 3.129,1077 13.612,1078 18.086,1080 28.07,1081 13.472,1082 1.613,1083 3.79,1084 24.53,1085 2.675,1086 14.702,1087 19.565,1089 30.395,1090 14.548,1091 1.328,1092 3.523,1093 26.388,1094 1.913,1095 15.838,1096 21.081,1098 32.738,1099 15.672,1100 1.206,1101 3.15,1102 28.251,1103 1.847,1104 16.949,1105 22.575,1107 35.07,1108 16.769,1109 5623,1110 7110,1111 15.485,1112 33.432,1113 31.885,1114 32.048,1115 33.245,1116 32.002,1117 32,1118 39.73,1120 81.492,1121 31.623,1122 5.491,1123 5.172,1124 6.523,1125 5.081,1126 5.092,1127 7.504,1129 17.015,1130 5.054,1131 9.078,1132 1.386,1133 1.393,1134 1.445,1135 1.391,1136 1.391,1137 1.727,1139 3.543,1140 1.375,1141 4.138,1142 4.172,1143 4.093,1144 4.061,1145 5.028,1146 4.065,1147 3.804,1148 3.869,1149 3.641,1150 3.687,1151 4.931,1152 3.667,1153 3.67,1154 3.736,1155 3.52,1156 3.551,1157 4.319,1158 3.535,1159 3.547,1160 3.622,1161 3.379,1162 3.414,1163 4.217,1164 3.397,1165 3.432,1166 3.52,1167 3.25,1168 3.252,1169 4.055,1170 3.237,1171 3.274,1172 3.359,1173 3.082,1174 3.092,1175 3.844,1176 3.081,1177 3.061,1178 3.155,1179 2.85,1180 2.892,1181 3.761,1182 2.87,1183 2.925,1184 3.012,1185 2.74,1186 2.757,1187 3.505,1188 2.742,1189 0.198,1190 0.138,1191 0.285,1192 0.177,1193 0.134,1194 4.55,1195 0.196,1196 3.172,1198 6.546,1199 0.45,1200 4.079,1201 0.133,1202 3.092,1203 4.504,1205 10.36,1206 3.054,1207 1.975,1208 1.951,1209 2.097,1210 2.053,1211 1.431,1212 2.067,1213 1.805,1214 1.744,1215 2.039,1216 1.956,1217 1.321,1218 1.989,1219 1.67,1220 1.611,1221 1.925,1222 1.847,1223 1.213,1224 1.869,1225 1.637,1226 1.572,1227 1.855,1228 1.824,1229 1.087,1230 1.847,1231 1.445,1232 1.37,1233 1.739,1234 1.65,1235 0.971,1236 1.683,1237 1.283,1238 1.195,1239 1.551,1240 1.55,1241 0.768,1242 1.561,1243 1.165,1244 1.081,1245 1.491,1246 1.387,1247 0.561,1248 1.432,1249 0.951,1250 0.868,1251 1.299,1252 1.19,1253 0.518,1254 1.229,1255 3.85,1257 5.069,1258 2.398,1259 6.482,1260 4.727,1261 8.003,1262 6.823,1263 9.595,1265 2.278,1269 5.692,1271 13.968,1280 29.945,1281 62.325,1282 149.158,1283 209.744,1284 242.989,1285 264.009,1286 278.009,1287 35.997,1288 6.519,1289 41.81,1290 41.81,1291 11,1292 11.931,1293 3.459,1294 2.585,1295 42.801,1296 90,1297 110,1298 0.226,1299 189.709,1300 319.48,1301 454.651,1302 5570,1304 15.623,1305 0.71,1306 0.644,1307 15.623,1308 14.165,1309 10.847,1310 0.472,1311 0.397,1312 9.106,1313 10.733,1314 8.868,1315 7.505,1316 10.847,1317 9.138,1318 8.493,1319 0.303,1320 0.231,1321 8.493,1322 6.457,1323 6.796,1324 0.194,1325 0.13,1326 6.796,1327 4.565,1328 5.495,1329 0.125,1330 0.073,1331 5.495,1332 3.206,1333 4.207,1334 0.082,1335 0.042,1336 4.207,1337 2.166,1338 0.372,1339 65.889,1340 0.254,1341 22.671,1342 0.574,1343 102,1344 173.645,1345 104.415,1346 179.312,1347 254.48,1348 170,1349 114,1350 191.394,1351 116.498,1352 198.839,1353 288.19,1354 189,1355 6.678} {0 CHEMBL414628,1 1.771,2 9.407,3 3.364,4 11.314,5 116.27,6 10.192,7 0.4,8 4.004,9 4.105,10 3.973,11 3.631,12 4.975,13 3.551,14 4.596,15 4.76,16 4.375,17 4.067,18 5.751,19 3.961,20 4.833,21 5.021,22 4.477,23 4.266,24 5.858,25 4.108,26 4.907,27 5.081,28 4.466,29 4.236,30 6.038,31 4.105,32 4.922,33 5.125,34 4.681,35 4.261,36 6.001,37 4.077,38 4.858,39 5.043,40 4.566,41 4.207,42 5.996,43 4.016,44 4.831,45 5.06,46 4.174,47 4.018,48 5.859,49 3.85,50 4.71,51 4.946,52 4.032,53 3.879,54 5.781,55 3.702,56 0.084,57 0.75,58 7.611,59 5.102,60 13.664,61 5.74,62 0.427,63 1.268,64 17.882,65 8.954,66 48.383,67 10.022,68 0.343,69 1.585,70 44.735,71 14.253,72 31.636,73 14.615,74 0.396,75 1.589,76 40.6,77 14.04,78 59.335,79 14.636,80 0.592,81 1.568,82 51.311,83 15.791,84 63.835,85 15.457,86 0.583,87 1.501,88 70.208,89 17.146,90 67.218,91 15.876,92 0.488,93 1.426,94 41.423,95 13.402,96 70.356,97 14.005,98 0.7,99 1.221,100 45.354,101 11.588,102 81.67,103 11.342,104 18,105 44,106 0.3,107 0.587,108 0.738,109 0.844,110 0.844,111 0.844,112 3.341,113 1.147,114 -3.54,115 -3.52,116 -3.36,119 38.8,121 1,124 1,125 5,140 6,141 1,142 5,169 4,171 3,172 5,178 7,181 1,182 10,184 1,189 5,193 12,199 1,202 3,203 2,208 1,211 7,214 3,215 4,218 1,220 1,222 5,226 3,231 1,233 5,237 4,240 3,244 2,249 3,259 1048,260 18.212,261 18.212,262 18.212,263 18.212,264 18.212,265 16.52,266 26.946,267 10.502,268 18.992,269 14.733,270 14.733,271 14.733,272 14.733,273 14.733,274 11.963,275 37.436,276 4.876,277 15.993,278 3.843,279 2.148,280 1.255,281 0.628,282 0.628,283 0.628,284 4.033,289 1,290 553,291 3.317,294 58.094,295 237.729,298 109.013,302 1.429,303 31.83,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 57.9,315 254,316 4.97,317 4.732,318 7.737,319 4.503,320 3.574,321 4.79,322 0.86,323 13.995,324 3.304,325 4.329,326 3.287,327 6.533,328 3.977,329 3.028,330 3.944,331 0.8,332 10.274,333 2.87,334 4.217,335 3.213,336 6.392,337 3.8,338 2.851,339 3.804,340 0.4,341 9.656,342 2.693,343 3.517,344 2.667,345 5.403,346 3.178,347 2.251,348 2.829,349 0.4,350 6.397,351 2.089,352 3.388,353 2.593,354 5.215,355 3.014,356 2.172,357 2.535,359 6.034,360 1.764,361 3.165,362 2.157,363 4.959,364 2.777,365 1.824,366 2.356,368 5.702,369 1.603,370 2.902,371 1.892,372 4.506,373 2.495,374 1.561,375 2.03,377 4.222,378 1.455,379 2.743,380 1.585,381 4.117,382 2.424,383 1.442,384 1.792,386 3.578,387 1.409,388 2.33,389 1.343,390 3.962,391 2.078,392 1.126,393 1.286,395 2.976,396 1.029,397 2.224,398 1.166,399 3.48,400 1.967,401 1,402 1.189,404 2.475,405 0.965,406 2,407 1.146,408 3.277,409 1.955,410 1,411 1,413 2.136,414 0.952,415 1.837,416 1.034,417 3.247,418 1.547,419 0.608,420 0.717,422 1.451,423 0.524,424 1.694,425 0.799,426 3.03,427 1.396,428 0.51,429 0.589,431 0.88,432 0.44,433 1,434 0.264,435 2.758,436 0.545,437 -0.352,438 -0.412,440 -0.739,441 -0.088,442 0.906,443 0.073,444 2.533,445 0.435,446 -0.388,447 -0.452,449 -0.876,450 -0.346,451 14.176,452 0.525,453 0.756,454 0.028,455 34.25,456 1.269,457 16.5,458 0.611,459 17.75,460 0.657,461 25.81,462 0.956,463 29.024,464 0.592,465 24.467,466 0.906,467 6.221,468 0.23,469 6.782,470 0.251,471 0.198,472 0.059,473 0.268,479 0.63,480 1.396,481 0.492,482 0.798,483 0.633,484 0.895,485 0.953,486 0.95,487 0.535,488 0.584,489 0.583,490 0.748,491 0.912,492 0.999,493 0.864,494 0.939,495 0.743,496 0.942,497 1.378,498 1.149,499 0.645,500 0.873,501 1.599,502 1.021,503 1.256,504 0.824,505 0.529,506 0.616,507 1.458,508 0.854,509 0.921,510 1.173,511 1.365,512 1.409,513 1.028,514 1.199,515 1.355,516 1.046,517 0.507,518 0.719,519 1.573,520 0.907,521 1.701,522 0.624,523 0.954,524 0.772,525 1.882,526 0.851,527 6,528 0.091,529 4.222,530 2.41,531 1.903,532 1.344,533 0.765,534 0.395,535 0.254,536 0.174,537 8141,538 23117,539 2.088,540 44.9,542 19,545 1,547 2,550 1.706,551 1.94,552 3.238,553 -0.272,555 1,558 1,559 86.793,560 1.771,561 3.467,562 4.36,563 4.987,564 4.987,565 4.987,566 2.672,567 4.533,568 4.728,569 3.363,570 1180.54,571 8.235,572 14543.9,577 275.121,578 1.596,579 4.673,580 0.2,581 0.006,582 0.096,583 0.051,584 0.042,585 0.032,586 0.02,587 0.012,588 0.01,589 0.008,590 0.478,591 0.33,592 0.88,593 0.76,594 131.086,595 0.088,596 -0.238,597 0.019,598 -0.065,599 -0.117,600 -0.003,601 0.08,602 0.153,603 0.02,604 0.124,605 0.214,606 0.114,607 -0.018,608 0.077,609 -0.041,610 -0.017,611 0.065,612 0.012,613 -0.164,614 -0.162,615 -0.022,616 -0.08,617 -0.113,618 -0.105,619 -0.048,620 0.127,621 0.085,622 0.154,623 -0.115,624 0.068,625 0.193,626 -0.186,627 -0.069,628 -0.205,629 0.111,630 -0.172,631 -0.173,632 -0.09,633 0.007,634 0.014,635 -0.137,636 0.015,637 -0.248,638 0.329,639 -0.048,640 0.11,641 -0.244,642 0.054,643 4.54,644 6.395,645 0.778,646 21.512,647 1.005,648 1.121,649 2.314,650 5.355,651 0.72,652 3.434,653 3.807,654 4.127,655 4.407,656 4.654,657 4.762,658 4.852,659 4.927,660 4.97,661 5.024,662 5.722,663 0.653,664 499.41,665 3.434,666 5.004,667 5.883,668 6.792,669 7.694,670 8.61,671 9.519,672 10.438,673 11.352,674 12.273,675 6.1,677 1,681 2,688 6,693 6,695 12,709 1,712 1,713 1,714 49,716 14,717 2,718 30,720 52,721 19,722 12,723 6,724 6,730 4,731 5,740 1,743 1,745 12,746 7,750 2,753 1,755 2,764 22,765 6,766 1,767 8,768 2,769 1,773 3,777 0.75,778 3,792 1,793 3,796 1,814 1,819 3,821 1,823 1,826 1,827 27,830 1,833 6,834 1,835 1,838 2,846 1,847 6.1,850 2,852 1,854 13.917,855 8.96,856 5.861,857 2.913,858 2.291,859 1.304,860 1.023,861 5.555,862 9.818,863 3.664,864 4.29,865 4.832,866 5.362,867 5.893,868 6.165,869 6.426,870 6.619,871 6.819,872 7.092,873 1,874 47,875 10.304,877 4.692,878 7.724,879 19.565,881 16.736,883 2.224,884 60.037,888 247.193,889 160.546,890 22.654,892 55.313,894 62.589,895 97.956,896 302.506,897 22.654,898 10.883,899 13.063,900 80.676,901 44.313,902 32.796,904 303.975,906 247.193,907 120.61,908 55.313,909 5.807,910 56.782,911 223.651,912 78.855,915 31.074,916 89.536,917 5.807,918 56.782,919 247.193,920 77.966,921 103.764,922 56.782,923 5.807,924 247.193,925 30.216,926 129.165,927 18.011,928 55.313,929 247.193,930 77.966,931 103.764,932 56.782,933 0.591,934 0.359,935 0.195,936 0.11,937 23,938 10,939 0.077,940 4,941 1,942 1.095,943 3.731,944 245.576,945 0.095,946 21,947 122.382,950 1,951 19.297,952 7.772,953 3.665,955 77.966,956 11.145,961 4.749,963 18.011,964 485.706,965 38,968 -3.623,970 26.79,975 49.269,976 54.916,977 0.315,978 0.618,979 0.777,980 0.888,981 0.888,982 0.888,983 4.942,984 1.442,985 5.916,986 4.222,987 4.489,988 4.977,989 1.406,990 6.828,991 4.341,992 6.177,993 1.126,994 7.547,995 3.578,996 4.29,997 5.112,998 0.325,999 8.132,1000 4.012,1001 7.542,1002 1,1003 9.298,1004 2.976,1005 6.217,1006 7.293,1007 0.977,1008 11.25,1009 5.938,1010 8.954,1011 1,1012 11.125,1013 2.475,1014 6.868,1015 8.262,1016 0.268,1017 13.411,1018 6.474,1019 10.408,1020 0.608,1021 13.003,1022 2.136,1023 8.317,1024 10.003,1025 0.74,1026 16.151,1027 7.899,1028 11.89,1029 0.51,1030 14.917,1031 1.451,1032 9.321,1033 11.303,1034 0.188,1035 18.612,1036 8.801,1037 13.395,1038 -0.352,1039 16.858,1040 0.88,1041 10.618,1042 12.906,1043 0.571,1044 21.263,1045 10.05,1046 3.574,1047 -0.388,1048 18.819,1049 -0.739,1050 11.767,1051 14.344,1052 0.125,1053 23.83,1054 11.106,1055 3.028,1056 13.995,1057 20.796,1058 -0.876,1059 13.021,1060 15.905,1061 0.439,1062 26.463,1063 12.295,1064 2.851,1065 10.274,1066 22.786,1067 4.79,1068 14.23,1069 17.404,1070 0.082,1071 29.071,1072 13.417,1073 2.251,1074 9.656,1075 24.785,1076 3.944,1077 15.478,1078 18.955,1079 0.334,1080 31.703,1081 14.59,1082 2.172,1083 6.397,1084 26.793,1085 3.804,1086 16.714,1087 20.483,1088 0.054,1089 34.327,1090 15.741,1091 1.824,1092 6.034,1093 28.807,1094 2.829,1095 17.966,1096 22.034,1097 0.252,1098 36.961,1099 16.913,1100 1.561,1101 5.702,1102 30.826,1103 2.535,1104 19.216,1105 23.578,1106 0.035,1107 39.593,1108 18.08,1109 7773,1110 13281,1111 19.879,1112 35.301,1113 45.697,1114 47.048,1115 47.448,1116 46.216,1117 45.891,1118 57.723,1119 4.92,1120 139.554,1121 42.195,1122 5.97,1123 6.732,1124 7.539,1125 5.586,1126 5.574,1127 7.79,1128 1.72,1129 22.421,1130 5.304,1131 12.815,1132 1.523,1133 1.568,1134 1.582,1135 1.541,1136 1.53,1137 1.924,1138 0.164,1139 4.652,1140 1.406,1141 4.141,1142 4.136,1143 10.695,1144 4.135,1145 7.715,1146 4.045,1147 3.93,1148 3.964,1149 4.746,1150 3.978,1151 6.999,1152 3.865,1153 3.772,1154 3.812,1155 3.849,1156 3.67,1157 4.842,1158 3.598,1159 3.581,1160 3.58,1161 3.801,1162 3.526,1163 4.719,1164 3.429,1165 3.33,1166 3.374,1167 3.539,1168 3.395,1169 4.403,1170 3.209,1171 3.179,1172 3.244,1173 3.122,1174 2.957,1175 4.29,1176 2.91,1177 3.111,1178 3.206,1179 2.997,1180 2.941,1181 3.993,1182 2.904,1183 2.978,1184 3.072,1185 2.866,1186 2.897,1187 3.754,1188 2.776,1189 0.166,1190 0.158,1191 0.258,1192 0.15,1193 0.119,1194 4.97,1195 0.16,1196 4.732,1197 0.029,1198 7.737,1199 0.467,1200 4.503,1201 0.11,1202 3.574,1203 4.79,1204 0.86,1205 13.995,1206 3.304,1207 1.977,1208 1.983,1209 2.02,1210 2.076,1211 1.292,1212 2.09,1213 1.876,1214 1.855,1215 1.947,1216 1.947,1217 1.182,1218 1.967,1219 1.711,1220 1.659,1221 1.872,1222 1.891,1223 1.163,1224 1.917,1225 1.533,1226 1.504,1227 1.696,1228 1.727,1229 0.968,1230 1.743,1231 1.288,1232 1.267,1233 1.566,1234 1.519,1235 0.825,1236 1.546,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.602,1242 1.429,1243 1.132,1244 1.063,1245 1.214,1246 1.356,1247 0.506,1248 1.403,1249 0.935,1250 0.857,1251 1.156,1252 1.212,1253 0.358,1254 1.22,1255 4.111,1257 5.468,1258 2.398,1259 7.034,1260 4.727,1261 8.692,1262 6.862,1263 10.398,1265 1.619,1268 2.219,1271 4.615,1272 3.318,1273 5.492,1276 3.711,1280 31.981,1281 86.793,1282 169.888,1283 213.637,1284 244.366,1285 244.366,1286 244.366,1287 51.589,1288 7.527,1289 61.88,1290 70.26,1291 23,1292 12.782,1293 3.907,1294 3.17,1295 39.985,1296 92,1297 88,1298 0.215,1299 206.974,1300 353.34,1301 496.777,1302 18083,1303 2,1304 19.018,1305 0.704,1306 0.67,1307 20.768,1308 18.086,1309 13.002,1310 0.433,1311 0.382,1312 9.001,1313 10.992,1314 8.617,1315 7.062,1316 14.657,1317 11.473,1318 12.088,1319 0.275,1320 0.222,1321 14.613,1322 9.779,1323 10.511,1324 0.172,1325 0.124,1326 12.612,1327 7.576,1328 8.763,1329 0.108,1330 0.07,1331 10.626,1332 5.673,1333 7.161,1334 0.069,1335 0.044,1336 9.275,1337 4.537,1338 0.327,1339 103.174,1340 0.224,1341 25.351,1342 0.621,1343 148,1344 427.339,1345 350.533,1346 468.557,1347 630.84,1348 434,1349 179,1350 408.536,1351 290.939,1352 464.783,1353 686.9,1354 436,1355 6.7} {0 CHEMBL416688,1 1.448,2 14.818,3 3.788,4 14.351,5 132.621,6 6.979,7 0.568,8 4.252,9 4.392,10 3.778,11 3.773,12 5.26,13 3.742,14 4.828,15 5.031,16 4.12,17 4.198,18 5.757,19 4.141,20 5.1,21 5.335,22 4.112,23 4.364,24 5.969,25 4.249,26 5.231,27 5.503,28 4.083,29 4.392,30 6.021,31 4.245,32 5.253,33 5.54,34 4.062,35 4.331,36 6.116,37 4.185,38 5.158,39 5.449,40 3.983,41 4.245,42 6.007,43 4.115,44 5.022,45 5.282,46 3.939,47 4.187,48 5.903,49 4.05,50 5.037,51 5.333,52 3.787,53 4.091,54 5.858,55 3.941,56 0.063,57 1.065,58 14.348,59 5.724,60 12.279,61 8.121,62 0.287,63 1.75,64 27.545,65 9.473,66 23.511,67 13.743,68 0.395,69 2.128,70 37.305,71 13.516,72 42.004,73 19.38,74 0.329,75 2.232,76 43.224,77 15.691,78 38.654,79 22.982,80 0.498,81 2.327,82 45.796,83 15.952,84 63.962,85 22.866,86 0.502,87 2.102,88 41.957,89 13.707,90 59.252,91 19.841,92 0.435,93 1.889,94 35.164,95 12.489,96 44.62,97 18.268,98 0.382,99 1.8,100 36.817,101 11.969,102 46.922,103 17.819,104 5,105 51,106 0.23,107 0.562,108 0.772,109 0.835,110 0.842,111 0.842,112 3.531,113 0.95,114 -5.45,115 -5.33,116 -4.97,119 40.6,121 3,124 1,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 10,171 2,172 7,176 3,178 11,182 5,186 3,189 7,192 1,193 8,199 4,203 7,206 1,211 7,215 4,218 1,222 6,226 6,229 2,233 4,236 1,237 4,242 2,244 2,249 2,256 3,259 2005,260 22.739,261 22.739,262 22.739,263 22.739,264 22.739,265 20.3,266 26.892,267 13.575,268 23.237,269 18.313,270 18.313,271 18.313,272 18.313,273 18.313,274 14.751,275 35.783,276 6.51,277 19.142,278 4.552,279 2.461,280 1.141,281 0.742,282 0.699,283 0.699,284 4.241,289 1,290 1090,291 3.606,294 178.378,295 342.721,298 152.177,302 2.331,303 22.579,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 70.5,315 489,316 4.571,317 3.243,318 6.572,319 4.106,320 3.126,321 4.519,322 0.916,323 10.462,324 3.068,325 4.131,326 3.141,327 6.098,328 3.81,329 2.862,330 3.732,331 0.8,332 8.897,333 2.715,334 3.973,335 3.002,336 6.06,337 3.699,338 2.763,339 3.459,340 0.172,341 8.733,342 2.587,343 3.752,344 2.85,345 5.499,346 3.523,347 2.574,348 2.854,350 7.414,351 2.465,352 3.561,353 2.636,354 5.317,355 3.364,356 2.396,357 2.792,359 6.851,360 2.284,361 3.376,362 2.468,363 5.173,364 3.072,365 2.125,366 2.613,368 6.257,369 2.009,370 3.25,371 2.042,372 4.679,373 2.775,374 1.827,375 2.464,377 4.927,378 1.721,379 2.98,380 1.787,381 4.508,382 2.682,383 1.726,384 2.09,386 4.648,387 1.64,388 2.873,389 1.651,390 4.108,391 2.501,392 1.517,393 1.968,395 3.603,396 1.489,397 2.693,398 1.339,399 4.048,400 2.212,401 1.242,402 1.769,404 3.297,405 1.202,406 2.5,407 1.285,408 3.534,409 2.126,410 1.171,411 1.5,413 2.795,414 1.113,415 2.386,416 1.077,417 3.414,418 2,419 1,420 1.338,422 2.275,423 1,424 2.271,425 1,426 3.34,427 1.984,428 1,429 1.257,431 2.143,432 0.983,433 2.118,434 0.975,435 3.247,436 1.881,437 0.92,438 1,440 2.136,441 0.881,442 2.071,443 0.703,444 3.206,445 1.579,446 0.625,447 0.927,449 1.537,450 0.594,451 15.686,452 0.475,453 0.691,454 0.021,455 40,456 1.212,457 18,458 0.545,459 22,460 0.667,461 30.934,462 0.937,463 35.914,464 0.561,465 29.018,466 0.879,467 7.889,468 0.239,469 8.264,470 0.25,471 0.05,473 0.3,474 1,479 0.689,480 1.312,481 0.82,482 1.158,483 0.546,484 1.033,485 1.096,486 1.026,487 1.002,488 0.944,489 0.819,490 0.947,491 1.08,492 1.068,493 1.132,494 1.122,495 1.1,496 1.135,497 0.734,498 1.012,499 0.956,500 1.084,501 0.654,502 1.059,503 1.109,504 1.09,505 0.931,506 1.011,507 1.393,508 0.969,509 1.355,510 0.971,511 0.982,512 0.851,513 1.48,514 0.865,515 0.78,516 1.07,517 1.017,518 1.168,519 0.967,520 1.142,521 1.043,522 0.97,523 0.977,524 0.946,525 0.996,526 0.949,527 6,528 0.141,529 3.333,530 1.694,531 1.472,532 1.073,533 0.507,534 0.426,535 0.22,536 0.233,537 18857,538 43067,539 2.168,540 48.4,542 21,543 1,544 2,545 1,547 2,548 4,550 1.747,551 2.084,552 3.836,553 -0.382,559 92.699,560 1.448,561 3.539,562 4.859,563 5.258,564 5.301,565 5.301,566 3.268,567 4.62,568 5.015,569 4.031,570 2128.45,571 8.75,572 33749.5,574 1,577 384,578 1.182,579 4.999,580 0.162,581 0.005,582 0.065,583 0.035,584 0.033,585 0.025,586 0.012,587 0.011,588 0.007,589 0.008,590 0.364,591 0.33,592 0.75,593 0.398,594 179.338,595 0.053,596 -0.175,597 0.079,598 -0.076,599 0.018,600 -0.012,601 -0.093,602 0.079,603 -0.043,604 0.058,605 -0.033,606 0.025,607 -0.074,608 -0.003,609 -0.165,610 -0.095,611 -0.065,612 -0.135,613 0.024,614 -0.109,615 0.002,616 -0.082,617 0.057,618 -0.05,619 0.062,620 -0.071,621 0.083,622 -0.011,623 0.015,624 0.028,625 -0.093,626 0.067,627 0.047,628 0.12,629 -0.076,630 0.108,631 0.169,632 -0.081,633 -0.042,634 -0.164,635 0.025,636 -0.144,637 -0.028,638 -0.04,639 0.028,640 0.007,641 0.02,642 0.024,643 2.221,644 7.105,645 0.788,646 40.569,647 0.994,648 1.136,649 4.216,650 17.777,651 0.654,652 3.638,653 3.951,654 4.22,655 4.477,656 4.644,657 4.727,658 4.875,659 4.99,660 5.017,661 5.094,662 8.63,663 0.615,664 446.63,665 3.638,666 5.176,667 6.023,668 6.893,669 7.753,670 8.627,671 9.494,672 10.37,673 11.241,674 12.12,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 37,720 68,721 26,722 16,723 4,724 8,728 1,730 5,731 6,740 3,743 5,745 16,746 10,762 1,764 31,765 5,766 1,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 1,827 33,833 7,837 2,838 2,844 1,846 1,854 15.833,855 11.476,856 7.194,857 3.897,858 3.511,859 1.428,860 1.01,861 6.748,862 11.709,863 3.882,864 4.454,865 5.029,866 5.611,867 6.043,868 6.374,869 6.825,870 7.243,871 7.438,872 7.673,873 0.9,874 48,875 12.27,877 5.24,878 7.561,879 24.068,881 20.323,883 2.061,884 68,888 353.133,889 142.542,890 58.259,893 14.96,895 142.542,896 353.133,897 73.219,898 8.396,899 18.206,900 84.857,901 74.105,902 36.634,903 28.875,904 317.82,906 353.133,907 200.801,908 14.96,911 297.467,912 70.627,915 60.376,916 107.099,917 33.326,919 368.093,920 58.259,921 142.542,924 355.312,925 29.871,926 118.639,927 16.786,928 48.286,929 353.133,930 73.219,931 142.542,933 0.578,934 0.335,935 0.182,936 0.093,937 25,938 10,939 0.118,940 8,941 1,942 1.077,943 4.64,944 299.107,945 0.077,946 26,947 154.465,951 22.121,952 10.066,953 5.286,954 2.085,955 54.535,956 22.006,957 7.751,958 3.282,961 3.341,962 1.863,963 16.786,964 568.894,965 47.5,975 63.61,976 72.727,977 0.241,978 0.59,979 0.81,980 0.876,981 0.883,982 0.883,983 5.113,984 1.726,985 5.989,986 4.927,987 4.635,988 5.142,989 1.242,990 6.767,991 4.55,992 6.288,993 1.517,994 7.522,995 4.648,996 4.111,997 4.783,998 0.57,999 7.573,1000 3.961,1001 7.569,1002 1.242,1003 9.153,1004 3.603,1005 6.196,1006 7.292,1007 0.883,1008 10.665,1009 6.033,1010 8.886,1011 1.171,1012 10.844,1013 3.297,1014 6.524,1015 7.869,1016 0.581,1017 12.324,1018 6.301,1019 10.239,1020 1,1021 12.572,1022 2.795,1023 8.03,1024 9.788,1025 0.68,1026 14.902,1027 7.796,1028 11.617,1029 1,1030 14.328,1031 2.275,1032 8.753,1033 10.829,1034 0.515,1035 16.921,1036 8.473,1037 13.017,1038 0.92,1039 16.103,1040 2.143,1041 10.02,1042 12.5,1043 0.541,1044 19.323,1045 9.726,1046 3.126,1047 0.625,1048 17.893,1049 2.136,1050 10.936,1051 13.777,1052 0.441,1053 21.505,1054 10.608,1055 2.862,1056 10.462,1057 19.694,1058 1.537,1059 12.102,1060 15.342,1061 0.438,1062 23.847,1063 11.758,1064 2.763,1065 8.897,1066 21.505,1067 4.519,1068 13.113,1069 16.735,1070 0.373,1071 26.104,1072 12.744,1073 2.574,1074 8.733,1075 23.323,1076 3.732,1077 14.239,1078 18.258,1079 0.358,1080 28.43,1081 13.855,1082 2.396,1083 7.414,1084 25.148,1085 3.459,1086 15.299,1087 19.707,1088 0.314,1089 30.725,1090 14.895,1091 2.125,1092 6.851,1093 26.979,1094 2.854,1095 16.411,1096 21.215,1097 0.296,1098 33.05,1099 15.993,1100 1.827,1101 6.257,1102 28.814,1103 2.792,1104 17.496,1105 22.692,1106 0.264,1107 35.364,1108 17.063,1109 17272,1110 26330,1111 25.542,1112 41.87,1113 55.934,1114 55.141,1115 55.705,1116 55.135,1117 55.067,1118 70.426,1119 3.778,1120 154.907,1121 52.693,1122 5.571,1123 5.243,1124 6.374,1125 5.166,1126 5.126,1127 7.519,1128 1.605,1129 17.208,1130 5.068,1131 10.711,1132 1.512,1133 1.49,1134 1.506,1135 1.49,1136 1.488,1137 1.903,1138 0.102,1139 4.187,1140 1.424,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.19,1146 4.07,1147 3.953,1148 4.004,1149 3.866,1150 3.864,1151 5.135,1152 3.859,1153 3.85,1154 3.912,1155 3.792,1156 3.707,1157 4.925,1158 3.707,1159 3.82,1160 3.884,1161 3.734,1162 3.586,1163 4.756,1164 3.624,1165 3.58,1166 3.648,1167 3.472,1168 3.397,1169 4.37,1170 3.407,1171 3.388,1172 3.47,1173 3.257,1174 3.195,1175 4.253,1176 3.2,1177 3.262,1178 3.333,1179 3.147,1180 3.083,1181 4.087,1182 3.086,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.823,1188 2.91,1189 0.124,1190 0.088,1191 0.178,1192 0.111,1193 0.084,1194 4.571,1195 0.122,1196 3.243,1197 0.025,1198 6.572,1199 0.283,1200 4.106,1201 0.083,1202 3.126,1203 4.519,1204 0.916,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.081,1210 2.072,1211 1.436,1212 2.079,1213 1.926,1214 1.89,1215 2.038,1216 2.048,1217 1.256,1218 2.046,1219 1.833,1220 1.775,1221 2.008,1222 1.974,1223 1.156,1224 1.989,1225 1.657,1226 1.605,1227 1.841,1228 1.836,1229 1.084,1230 1.841,1231 1.427,1232 1.351,1233 1.674,1234 1.686,1235 0.826,1236 1.678,1237 1.383,1238 1.311,1239 1.558,1240 1.626,1241 0.825,1242 1.617,1243 1.262,1244 1.19,1245 1.513,1246 1.482,1247 0.705,1248 1.491,1249 1.153,1250 1.064,1251 1.475,1252 1.442,1253 0.58,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.127,1260 5.283,1261 8.703,1262 7.286,1263 10.324,1265 2.205,1267 15.105,1271 5.962,1275 -0.328,1276 4.73,1280 39.36,1281 92.699,1282 226.481,1283 310.98,1284 336.49,1285 339.245,1286 339.245,1287 52.398,1288 8.198,1289 52.98,1290 52.98,1291 28,1292 12.659,1293 4.459,1294 3.524,1295 48.217,1296 173,1297 167,1298 0.133,1299 238.822,1300 401.27,1301 574.485,1302 50654,1303 1.6,1304 22.623,1305 0.686,1306 0.578,1307 21.753,1308 19.069,1309 16.153,1310 0.437,1311 0.317,1312 11.543,1313 15.521,1314 11.282,1315 9.314,1316 15.759,1317 11.711,1318 14.453,1319 0.283,1320 0.179,1321 13.808,1322 9.147,1323 12.236,1324 0.183,1325 0.102,1326 11.982,1327 6.821,1328 10.346,1329 0.119,1330 0.057,1331 9.951,1332 4.956,1333 7.82,1334 0.076,1335 0.033,1336 7.517,1337 3.364,1338 0.217,1339 101.085,1340 0.198,1341 31.484,1342 0.341,1343 176,1344 474.67,1345 191.016,1346 440.764,1347 605.87,1348 416,1349 206,1350 445.476,1351 222.301,1352 451.139,1353 653.39,1354 423,1355 7.745} {0 CHEMBL417650,1 1.334,2 13.154,3 4.67,4 21.804,5 108.544,6 6.203,7 0.357,8 4.093,9 4.241,10 3.491,11 3.633,12 5.037,13 3.567,14 4.67,15 4.877,16 3.808,17 4.052,18 5.564,19 3.941,20 4.982,21 5.249,22 3.839,23 4.187,24 5.779,25 4.038,26 5.001,27 5.275,28 3.76,29 4.168,30 5.783,31 4.001,32 4.984,33 5.278,34 3.671,35 4.105,36 5.691,37 3.922,38 4.908,39 5.199,40 3.627,41 4.016,42 5.684,43 3.839,44 4.83,45 5.123,46 3.461,47 3.908,48 5.594,49 3.721,50 4.736,51 5.033,52 3.33,53 3.786,54 5.5,55 3.6,56 0.076,57 0.815,58 13.879,59 5.543,60 9.259,61 8.094,62 0.186,63 1.318,64 24.515,65 9.691,66 26.599,67 14.227,68 0.237,69 1.618,70 33.124,71 12.351,72 34.655,73 18.445,74 0.251,75 1.619,76 33.716,77 12.414,78 35.138,79 18.624,80 0.228,81 1.542,82 32.852,83 12.229,84 28.169,85 18.369,86 0.29,87 1.436,88 30.688,89 11.118,90 33.997,91 16.775,92 0.256,93 1.308,94 28.429,95 10.022,96 32.325,97 15.178,98 0.235,99 1.164,100 25.917,101 8.839,102 29.003,103 13.494,104 20,105 37,106 0.221,107 0.553,108 0.764,109 0.866,110 0.893,111 0.893,112 3.303,113 1.074,114 -4.27,115 -4.21,116 -3.97,119 38.6,120 1,121 8,125 1,127 1,134 1,135 1,140 3,141 3,149 1,150 1,156 1,161 1,162 1,163 1,169 15,172 1,173 1,174 1,176 7,178 16,180 1,182 2,186 8,189 14,191 2,193 2,197 7,199 11,201 2,203 1,208 5,211 12,213 1,215 1,218 1,219 1,220 3,221 1,222 11,224 1,226 2,230 1,231 4,233 8,235 2,237 2,242 4,244 7,246 2,254 2,256 8,259 1124,260 17.836,261 17.836,262 17.836,263 17.836,264 17.836,265 16.341,266 13.394,267 10.981,268 17.936,269 13.809,270 13.809,271 13.809,272 13.809,273 13.809,274 11.487,275 15.851,276 5.21,277 13.968,278 4.499,279 2.491,280 1.216,281 0.601,282 0.434,283 0.434,284 3.989,288 1,289 1,290 723,291 3.606,294 62.182,295 160.272,298 114.537,302 2.231,303 17.202,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 54.5,315 342,316 4.618,317 3.509,318 6.724,319 4.172,320 3.181,321 4.552,322 0.98,323 10.962,324 3.154,325 4.056,326 3.201,327 5.943,328 3.719,329 2.715,330 3.498,331 0.4,332 8.308,333 2.724,334 3.822,335 2.778,336 5.687,337 3.516,338 2.531,339 3.182,341 7.524,342 2.487,343 3.41,344 2.434,345 5.308,346 3.21,347 2.233,348 2.506,350 6.787,351 2.177,352 3.012,353 1.914,354 4.586,355 2.839,356 1.842,357 2.161,359 4.461,360 1.837,361 2.888,362 1.853,363 4.047,364 2.535,365 1.549,366 1.97,368 3.653,369 1.526,370 2.83,371 1.642,372 3.838,373 2.393,374 1.404,375 1.832,377 3.351,378 1.386,379 2.568,380 1.467,381 3.747,382 2.35,383 1.349,384 1.553,386 2.772,387 1.34,388 2.413,389 1.329,390 3.423,391 2.05,392 1.06,393 1.404,395 2.63,396 1.045,397 2.102,398 1.162,399 3.414,400 2,401 1,402 1.043,404 2.275,405 1,406 2.009,407 0.925,408 3.21,409 1.807,410 0.831,411 0.877,413 1.577,414 0.809,415 1.824,416 0.632,417 2.898,418 1.524,419 0.552,420 0.747,422 1.311,423 0.535,424 1.215,425 0.285,426 2.476,427 1.16,428 0.183,429 0.188,431 0.33,432 0.178,433 0.897,434 0.128,435 2.328,436 0.685,437 -0.3,438 -0.316,440 -0.6,441 -0.294,442 0.696,443 -0.16,444 2.186,445 0.389,446 -0.599,447 -0.687,449 -1.29,450 -0.588,451 12.533,452 0.482,453 0.486,454 0.019,455 26.5,456 1.019,457 11,458 0.423,459 15.5,460 0.596,461 26.38,462 1.015,463 29.467,464 0.517,465 17.021,466 0.655,467 4.568,468 0.176,469 8.118,470 0.312,471 0.098,473 0.279,479 0.904,480 1.225,481 1.017,482 1.108,483 0.729,484 1.069,485 0.657,486 1.21,487 1.013,488 1.162,489 0.428,490 1.123,491 0.868,492 1.025,493 0.937,494 0.989,495 0.685,496 0.971,497 0.91,498 1.047,499 1.011,500 1.039,501 0.799,502 1.033,503 0.709,504 0.998,505 0.897,506 0.982,507 0.623,508 0.959,509 0.654,510 1.019,511 0.911,512 1.015,513 0.553,514 0.988,515 0.967,516 1.007,517 1.009,518 1.016,519 0.908,520 1.015,521 1.213,522 0.968,523 1.023,524 0.957,525 1.243,526 0.97,527 4,528 0.094,529 2.667,530 1.132,531 1.001,532 0.733,533 0.52,534 0.273,535 0.171,536 0.147,537 8649,538 16561,539 2.059,540 54.4,541 13,542 7,543 1,545 4,547 6,550 1.684,551 1.95,552 3.636,553 1.621,559 76.032,560 1.334,561 3.342,562 4.617,563 5.232,564 5.399,565 5.399,566 3.142,567 4.47,568 4.658,569 3.821,570 1241.72,571 8.045,572 16338.4,574 1,577 332.475,578 1.3,579 4.642,580 0.143,581 0.006,582 0.072,583 0.031,584 0.03,585 0.024,586 0.019,587 0.012,588 0.009,589 0.009,590 0.354,592 1,593 1.91,594 130.609,595 -0.071,596 0.069,597 0.026,598 0.073,599 -0.045,600 0.062,601 0.101,602 -0.061,603 -0.013,604 -0.053,605 0.178,606 -0.045,607 -0.015,608 -0.01,609 0.042,610 0.027,611 0.069,612 0.038,613 -0.045,614 -0.043,615 -0.034,616 -0.038,617 -0.005,618 -0.035,619 0.03,620 -0.041,621 0.059,622 0.004,623 0.027,624 0.03,625 0.175,626 -0.047,627 0.057,628 -0.04,629 0.146,630 -0.008,631 0.007,632 -0.042,633 -0.031,634 -0.058,635 -0.002,636 -0.05,637 -0.083,638 -0.019,639 -0.034,640 -0.017,641 -0.093,642 -0.02,643 2.042,644 4.47,645 0.577,646 31.438,647 0.983,648 1.132,649 3.04,650 9.241,651 0.634,652 3.367,653 3.638,654 3.892,655 4.127,656 4.357,657 4.489,658 4.615,659 4.691,660 4.736,661 4.779,662 7.433,663 0.582,664 353.56,665 3.367,666 4.875,667 5.707,668 6.564,669 7.425,670 8.297,671 9.173,672 10.056,673 10.941,674 11.83,675 5.3,677 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,701 1,714 57,716 12,717 1,718 28,720 59,721 22,722 8,723 3,724 3,725 3,730 3,731 4,736 1,740 4,743 9,745 11,746 11,750 2,755 1,757 1,759 2,761 1,764 31,765 3,766 4,767 4,773 3,777 0.667,778 1,788 1,792 1,793 2,796 1,810 1,811 1,814 1,819 2,823 1,827 26,828 1,833 9,834 1,837 1,847 1.8,850 1,854 13.333,855 10,856 5.944,857 3.965,858 2.48,859 1.34,860 0.976,861 6.786,862 9.785,863 3.584,864 4.115,865 4.697,866 5.292,867 5.826,868 6.259,869 6.666,870 6.989,871 7.109,872 7.34,873 0.889,874 37,875 9.665,877 4.009,878 7.532,879 19.248,881 16.069,883 2.032,884 52.833,886 1,887 1,888 317.82,889 97.138,890 67.693,892 25.145,895 97.138,896 342.965,897 67.693,898 8.825,899 55.279,900 64.963,901 29.85,902 28.915,903 13.915,904 306.049,906 317.82,907 164.832,908 25.145,911 247.193,912 95.772,915 98.901,916 56.455,917 9.476,919 317.82,920 92.838,921 97.138,924 317.82,925 41.36,926 55.778,927 34.796,928 58.042,929 317.82,930 92.838,931 97.138,933 0.561,934 0.319,935 0.165,936 0.091,937 16,938 7,939 0.153,940 9,941 1,942 1.133,943 3.94,944 204.018,945 0.133,946 15,947 122.211,951 19.033,952 9.27,953 4.923,954 2.146,955 76.053,956 7.68,958 3.313,961 1.776,963 67.693,964 507.796,965 35,970 11.47,972 2.359,974 0.999,975 56.003,976 64.517,977 0.229,978 0.573,979 0.792,980 0.897,981 0.926,982 0.926,983 4.8,984 1.349,985 5.659,986 3.351,987 4.317,988 4.8,989 1.176,990 6.435,991 4.296,992 5.968,993 1.06,994 7.192,995 2.772,996 3.761,997 4.59,999 7.302,1000 3.744,1001 7.259,1002 1,1003 8.833,1004 2.63,1005 5.861,1006 6.983,1007 1.063,1008 10.41,1009 5.822,1010 8.593,1011 0.831,1012 10.54,1013 2.275,1014 6.196,1015 7.721,1017 12.171,1018 6.161,1019 9.969,1020 0.552,1021 12.292,1022 1.577,1023 7.715,1024 9.566,1025 1.022,1026 14.787,1027 7.663,1028 11.375,1029 0.183,1030 14.074,1031 1.311,1032 8.471,1033 10.731,1035 16.908,1036 8.42,1037 12.803,1038 -0.3,1039 15.879,1040 0.33,1041 9.752,1042 12.368,1043 0.993,1044 19.367,1045 9.689,1046 3.181,1047 -0.599,1048 17.699,1049 -0.6,1050 10.711,1051 13.726,1053 21.643,1054 10.645,1055 2.715,1056 10.962,1057 19.533,1058 -1.29,1059 11.897,1060 15.283,1061 0.967,1062 24.052,1063 11.821,1064 2.531,1065 8.308,1066 21.377,1067 4.552,1068 12.953,1069 16.727,1071 26.393,1072 12.871,1073 2.233,1074 7.524,1075 23.229,1076 3.498,1077 14.105,1078 18.255,1079 0.942,1080 28.789,1081 14.015,1082 1.842,1083 6.787,1084 25.089,1085 3.182,1086 15.207,1087 19.737,1089 31.159,1090 15.109,1091 1.549,1092 4.461,1093 26.954,1094 2.506,1095 16.351,1096 21.255,1097 0.917,1098 33.552,1099 16.243,1100 1.404,1101 3.653,1102 28.825,1103 2.161,1104 17.475,1105 22.755,1107 35.934,1108 17.36,1109 8559,1110 12126,1111 18.781,1112 36.131,1113 41.104,1114 41.655,1115 42.225,1116 40.83,1117 40.859,1118 51.025,1119 2.76,1120 111.879,1121 40.398,1122 5.577,1123 5.509,1124 6.687,1125 5.191,1126 5.181,1127 7.552,1128 1.96,1129 18.097,1130 5.154,1131 12.082,1132 1.468,1133 1.488,1134 1.508,1135 1.458,1136 1.459,1137 1.822,1138 0.099,1139 3.996,1140 1.443,1141 4.15,1142 4.181,1143 4.111,1144 4.075,1145 7.437,1146 4.08,1147 3.862,1148 3.919,1149 3.75,1150 3.751,1151 4.98,1152 3.743,1153 3.749,1154 3.811,1155 3.59,1156 3.633,1157 4.863,1158 3.613,1159 3.565,1160 3.621,1161 3.489,1162 3.4,1163 4.453,1164 3.408,1165 3.5,1166 3.569,1167 3.324,1168 3.332,1169 4.244,1170 3.323,1171 3.235,1172 3.321,1173 3.083,1174 3.043,1175 4.175,1176 3.045,1177 3.121,1178 3.2,1179 2.952,1180 2.924,1181 4.073,1182 2.913,1183 3.036,1184 3.129,1185 2.816,1186 2.867,1187 3.818,1188 2.84,1189 0.165,1190 0.125,1191 0.24,1192 0.149,1193 0.114,1194 4.618,1195 0.163,1196 3.509,1197 0.035,1198 6.724,1199 0.391,1200 4.172,1201 0.113,1202 3.181,1203 4.552,1204 0.98,1205 10.962,1206 3.154,1207 1.978,1208 1.958,1209 2.094,1210 2.061,1211 1.422,1212 2.073,1213 1.865,1214 1.822,1215 2.035,1216 2.004,1217 1.367,1218 2.01,1219 1.772,1220 1.71,1221 1.992,1222 1.929,1223 1.163,1224 1.962,1225 1.558,1226 1.487,1227 1.841,1228 1.757,1229 1.111,1230 1.786,1231 1.448,1232 1.384,1233 1.632,1234 1.669,1235 0.811,1236 1.662,1237 1.279,1238 1.238,1239 1.546,1240 1.546,1241 0.725,1242 1.532,1243 1.183,1244 1.094,1245 1.436,1246 1.44,1247 0.704,1248 1.465,1249 1.076,1250 0.989,1251 1.411,1252 1.298,1253 0.459,1254 1.35,1255 4.043,1257 5.323,1258 2.398,1259 6.799,1260 4.727,1261 8.372,1262 6.843,1263 10.003,1265 2.257,1269 5.433,1271 11.095,1272 3.712,1275 0.594,1280 33.154,1281 76.032,1282 190.493,1283 263.191,1284 298.21,1285 307.72,1286 307.72,1287 45.898,1288 7.305,1289 70.91,1290 70.91,1291 17,1292 12.361,1293 3.7,1294 3,1295 44.802,1296 113,1297 148,1298 0.192,1299 206.437,1300 356.23,1301 495.465,1302 14772,1304 18.355,1305 0.706,1306 0.608,1307 18.355,1308 15.814,1309 12.686,1310 0.453,1311 0.358,1312 9.961,1313 12.438,1314 9.725,1315 8.143,1316 12.686,1317 10.024,1318 10.82,1319 0.292,1320 0.2,1321 10.82,1322 7.396,1323 8.915,1324 0.186,1325 0.113,1326 8.915,1327 5.436,1328 7.115,1329 0.117,1330 0.063,1331 7.115,1332 3.838,1333 5.7,1334 0.074,1335 0.035,1336 5.7,1337 2.719,1338 0.312,1339 77.89,1340 0.231,1341 25.825,1342 0.499,1343 130,1344 281.714,1345 136.683,1346 281.654,1347 389.95,1348 264,1349 150,1350 288.862,1351 156.157,1352 296.357,1353 432.32,1354 281,1355 8.703} {0 CHEMBL41844,1 1.561,2 15.907,3 3.259,4 10.62,5 164.057,6 7.293,7 0.261,8 4.476,9 4.589,10 4.007,11 3.968,12 5.622,13 3.952,14 5.031,15 5.204,16 4.367,17 4.378,18 6.189,19 4.339,20 5.296,21 5.484,22 4.548,23 4.613,24 6.346,25 4.561,26 5.525,27 5.712,28 4.644,29 4.716,30 6.696,31 4.658,32 5.623,33 5.839,34 4.606,35 4.751,36 6.704,37 4.667,38 5.63,39 5.876,40 4.51,41 4.703,42 6.687,43 4.587,44 5.587,45 5.854,46 4.3,47 4.572,48 6.551,49 4.445,50 5.398,51 5.652,52 4.245,53 4.42,54 6.41,55 4.306,56 0.182,57 1.136,58 17.103,59 7.641,60 18.177,61 9.911,62 0.715,63 1.816,64 33.114,65 12.452,66 87.605,67 16.934,68 0.43,69 2.349,70 42.839,71 16.494,72 64.507,73 22.559,74 1.033,75 2.683,76 56.765,77 20.105,78 152.59,79 26.626,80 1.105,81 2.877,82 64.38,83 21.891,84 155.309,85 30.137,86 1.188,87 2.901,88 65.748,89 21.507,90 160.745,91 31.405,92 1.198,93 2.631,94 65.636,95 19.653,96 161.851,97 28.826,98 0.973,99 2.22,100 53.191,101 17.034,102 118.529,103 24.548,104 95,105 65,106 0.237,107 0.564,108 0.728,109 0.809,110 0.843,111 0.843,112 3.787,113 0.929,114 -3.95,115 -3.9,116 -3.7,119 39.5,120 2,121 3,122 1,123 1,124 2,125 4,135 2,137 1,138 1,140 9,141 2,142 1,154 1,156 2,164 2,169 16,171 2,172 13,174 2,176 3,178 22,182 16,186 2,189 19,192 2,193 18,195 3,197 6,199 17,202 2,203 15,208 4,211 8,214 2,215 18,218 2,219 1,220 8,222 8,226 8,231 1,233 4,236 4,237 8,240 2,242 2,244 7,248 6,249 7,252 6,254 2,256 4,259 4046,260 28.705,261 28.705,262 28.705,263 28.705,264 28.705,265 25.91,266 41.547,267 16.634,268 29.163,269 22.435,270 22.435,271 22.435,272 22.435,273 22.435,274 18.178,275 53.099,276 7.537,277 22.988,278 4.779,279 2.62,280 1.538,281 1.004,282 0.778,283 0.778,284 4.474,290 1442,291 5.05,295 657.451,302 2.108,303 62.046,306 0.5,307 0.5,308 0.5,309 0.8,310 1,311 0.33,313 0.52,314 95,315 684,316 4.705,317 4.2,318 7.943,319 4.599,320 3.6,321 4.147,322 2.612,323 14.979,324 3.59,325 4.658,326 3.867,327 7.138,328 4.347,329 3.353,330 3.972,331 2.491,332 12.443,333 3.333,334 4.244,335 3.776,336 6.296,337 3.737,338 2.763,339 3.922,340 1.36,341 9.188,342 2.695,343 4.102,344 3.42,345 5.943,346 3.698,347 2.699,348 3.487,349 1.216,350 8.263,351 2.686,352 3.79,353 3.053,354 5.712,355 3.383,356 2.456,357 3.232,358 1.058,359 7.484,360 2.327,361 3.631,362 2.907,363 5.46,364 3.354,365 2.375,366 3.04,367 1.045,368 6.944,369 2.278,370 3.482,371 2.817,372 5.337,373 3.167,374 2.176,375 2.644,376 0.8,377 6.11,378 2.144,379 3.449,380 2.764,381 5.058,382 3.067,383 2.096,384 2.472,385 0.473,386 5.753,387 2.025,388 3.114,389 2.358,390 4.678,391 2.73,392 1.757,393 2.195,394 0.391,395 4.572,396 1.704,397 3.005,398 2.15,399 4.58,400 2.621,401 1.651,402 2.108,404 4.091,405 1.583,406 2.985,407 2.009,408 4.516,409 2.516,410 1.536,411 2.054,413 4.052,414 1.502,415 2.594,416 1.702,417 3.802,418 2.351,419 1.351,420 1.595,422 2.969,423 1.346,424 2.5,425 1.642,426 3.774,427 2.154,428 1.168,429 1.5,431 2.77,432 1.147,433 2.5,434 1.461,435 3.679,436 2.062,437 1.068,438 1.5,440 2.634,441 1.058,442 2.489,443 1.264,444 3.587,445 2,446 1,447 1.465,449 2.372,450 1,451 19.933,452 0.464,453 1.136,454 0.026,455 49.75,456 1.157,457 22.5,458 0.523,459 27.25,460 0.634,461 48.407,462 1.126,463 48.467,464 0.598,465 48.631,466 1.131,467 10.139,468 0.236,469 10.483,470 0.244,471 0.184,472 0.025,473 0.316,479 0.649,480 1.327,481 0.798,482 1.175,483 0.586,484 1.044,485 0.694,486 1.018,487 0.824,488 0.909,489 0.454,490 0.888,491 0.756,492 1.137,493 0.895,494 1.104,495 0.652,496 1.026,497 1.147,498 1.079,499 1.082,500 1.118,501 1.168,502 1.097,503 1.079,504 1.103,505 1.054,506 1.079,507 1.029,508 1.07,509 0.74,510 1.118,511 0.993,512 1.106,513 0.658,514 1.099,515 1.067,516 0.942,517 1.056,518 0.922,519 0.974,520 0.971,521 0.866,522 1.009,523 0.966,524 1.039,525 0.996,526 1.03,527 9,528 0.305,529 6.222,530 4.063,531 3.16,532 2.347,533 1.232,534 0.781,535 0.662,536 0.349,537 31658,538 92891,539 1.987,540 46.9,541 1,542 23,545 2,546 3,547 7,548 2,550 1.816,551 1.823,552 3.841,553 0.137,559 126.455,560 1.561,561 3.72,562 4.802,563 5.336,564 5.562,565 5.562,566 3.292,567 5.008,568 5.401,569 4.116,570 3717.09,571 9.548,572 69815.9,577 513.528,578 1.634,579 5.33,580 0.196,581 0.007,582 0.096,583 0.053,584 0.039,585 0.031,586 0.019,587 0.015,588 0.013,589 0.007,590 0.475,591 0.33,592 0.63,593 1.072,594 249.895,595 0.057,596 -0.073,597 0.046,598 -0.022,599 -0.017,600 -0.001,601 0.128,602 0.121,603 0.09,604 0.157,605 0.164,606 0.124,607 -0.049,608 -0.007,609 0.006,610 -0.038,611 0.005,612 -0.001,613 -0.088,614 -0.038,615 -0.113,616 -0.091,617 -0.072,618 -0.109,619 -0.097,620 -0.112,621 -0.077,622 -0.072,623 -0.08,624 -0.074,625 0.069,626 -0.127,627 -0.023,628 -0.127,629 0.061,630 -0.099,631 -0.128,632 -0.006,633 -0.045,634 0.016,635 -0.103,636 0.007,637 0.035,638 -0.056,639 0.028,640 -0.077,641 -0.058,642 -0.039,643 2.491,644 6.575,645 0.558,646 55.03,647 1.009,648 1.13,649 2.72,650 7.397,651 0.644,652 3.85,653 4.19,654 4.5,655 4.754,656 4.984,657 5.069,658 5.124,659 5.153,660 5.147,661 5.011,662 9.432,663 0.618,664 590.74,665 3.85,666 5.407,667 6.275,668 7.171,669 8.063,670 8.969,671 9.87,672 10.78,673 11.685,674 12.597,675 4.9,678 1,682 1,684 1,686 1,688 9,693 3,695 12,708 1,714 81,716 19,717 2,718 46,720 84,721 32,722 12,723 3,724 9,725 6,730 4,731 4,736 2,737 1,739 1,740 2,741 1,743 3,745 19,746 13,747 1,750 7,752 1,755 4,758 1,759 7,764 38,765 10,766 2,767 11,773 4,777 1,778 7,793 4,802 1,805 1,808 1,810 1,811 2,815 1,817 1,818 1,819 4,823 4,827 43,832 1,833 7,834 1,835 2,837 1,838 1,839 1,847 8.6,849 1,850 2,851 1,852 1,853 2,854 23.583,855 15.633,856 9.722,857 4.796,858 2.686,859 1.326,860 0.921,861 10.646,862 10.938,863 4.094,864 4.644,865 5.153,866 5.633,867 6.113,868 6.349,869 6.655,870 6.921,871 7.138,872 7.043,873 1,874 77,875 16.057,877 6.916,878 7.971,879 30.027,881 24.508,883 2.471,884 106.25,888 423.76,889 174.658,890 43.591,892 165.72,895 174.658,896 589.48,897 43.591,898 45.087,899 34.037,900 85.286,901 121.383,902 47.429,904 423.76,905 50.747,906 423.76,907 218.248,908 165.72,911 317.82,912 209.913,913 61.747,915 71.597,916 138.224,917 8.427,919 423.76,920 209.311,921 174.658,924 423.76,925 49.955,926 133.497,927 18.011,928 182.505,929 423.76,930 209.311,931 174.658,933 0.582,934 0.359,935 0.195,936 0.107,937 28,938 15,939 0.131,940 11,942 1,943 4.929,944 437.154,946 24,947 219.329,951 32.243,952 14.197,953 6.946,955 203.64,956 15.651,961 1.477,963 60.694,964 807.728,965 59,967 -0.491,970 48.816,973 4.502,974 0.712,975 81.72,976 91.517,977 0.246,978 0.587,979 0.757,980 0.842,981 0.877,982 0.877,983 5.361,984 2.096,985 6.293,986 6.11,987 4.875,988 5.333,989 3.543,990 7.191,991 4.835,992 6.577,993 1.757,994 7.918,995 5.753,996 4.635,997 5.223,998 3.058,999 8.523,1000 4.597,1001 7.912,1002 1.651,1003 9.663,1004 4.572,1005 6.572,1006 7.473,1007 4.848,1008 11.653,1009 6.51,1010 9.284,1011 1.536,1012 11.486,1013 4.091,1014 7.194,1015 8.161,1016 5.149,1017 13.897,1018 7.143,1019 10.693,1020 1.351,1021 13.364,1022 4.052,1023 8.643,1024 9.919,1025 6.511,1026 16.662,1027 8.577,1028 12.128,1029 1.168,1030 15.282,1031 2.969,1032 9.635,1033 10.957,1034 7.134,1035 19.209,1036 9.581,1037 13.581,1038 1.068,1039 17.231,1040 2.77,1041 10.931,1042 12.521,1043 8.302,1044 21.9,1045 10.87,1046 3.6,1047 1,1048 19.203,1049 2.634,1050 12.078,1051 13.728,1052 9.072,1053 24.543,1054 12.024,1055 3.353,1056 14.979,1057 21.194,1058 2.372,1059 13.334,1060 15.204,1061 10.141,1062 27.226,1063 13.276,1064 2.763,1065 12.443,1066 23.2,1067 4.147,1068 14.545,1069 16.497,1070 10.987,1071 29.9,1072 14.49,1073 2.699,1074 9.188,1075 25.217,1076 3.972,1077 15.795,1078 17.933,1079 12.003,1080 32.587,1081 15.738,1082 2.456,1083 8.263,1084 27.243,1085 3.922,1086 17.033,1087 19.272,1088 12.891,1089 35.274,1090 16.976,1091 2.375,1092 7.484,1093 29.276,1094 3.487,1095 18.286,1096 20.687,1097 13.877,1098 37.967,1099 18.228,1100 2.176,1101 6.944,1102 31.316,1103 3.232,1104 19.538,1105 22.053,1106 14.789,1107 40.661,1108 19.478,1109 30719,1110 52873,1111 29.531,1112 52.148,1113 69.148,1114 71.727,1115 73.97,1116 68.109,1117 68.21,1118 85.587,1119 22.893,1120 202.078,1121 66.743,1122 5.705,1123 6.2,1124 7.745,1125 5.64,1126 5.6,1127 7.147,1128 4.612,1129 22.771,1130 5.59,1131 27.699,1132 1.503,1133 1.559,1134 1.608,1135 1.481,1136 1.483,1137 1.861,1138 0.498,1139 4.393,1140 1.451,1141 4.069,1142 4.096,1143 4.024,1144 3.977,1145 7.815,1146 3.981,1147 3.995,1148 4.025,1149 3.931,1150 3.917,1151 7.433,1152 3.916,1153 3.868,1154 3.897,1155 3.837,1156 3.716,1157 7.428,1158 3.733,1159 3.766,1160 3.821,1161 3.658,1162 3.633,1163 6.999,1164 3.631,1165 3.618,1166 3.672,1167 3.521,1168 3.445,1169 6.474,1170 3.448,1171 3.475,1172 3.499,1173 3.431,1174 3.289,1175 4.802,1176 3.303,1177 3.468,1178 3.495,1179 3.394,1180 3.115,1181 4.749,1182 3.171,1183 3.385,1184 3.428,1185 3.26,1186 3.089,1187 4.631,1188 3.127,1189 0.102,1190 0.091,1191 0.173,1192 0.1,1193 0.078,1194 4.705,1195 0.09,1196 4.2,1197 0.057,1198 7.943,1199 0.326,1200 4.599,1201 0.078,1202 3.6,1203 4.147,1204 2.612,1205 14.979,1206 3.59,1207 1.992,1208 1.971,1209 2.108,1210 2.113,1211 1.452,1212 2.099,1213 1.977,1214 1.949,1215 2.075,1216 2.089,1217 1.294,1218 2.091,1219 1.792,1220 1.762,1221 1.953,1222 1.982,1223 1.199,1224 1.951,1225 1.752,1226 1.699,1227 1.894,1228 1.912,1229 1.015,1230 1.919,1231 1.588,1232 1.53,1233 1.823,1234 1.789,1235 0.984,1236 1.798,1237 1.404,1238 1.369,1239 1.658,1240 1.646,1241 0.825,1242 1.634,1243 1.283,1244 1.231,1245 1.598,1246 1.634,1247 0.751,1248 1.596,1249 1.262,1250 1.211,1251 1.592,1252 1.605,1253 0.647,1254 1.562,1255 4.533,1257 5.866,1259 7.414,1261 9.063,1263 10.771,1265 6.195,1270 10.611,1271 4.57,1272 2.993,1273 10.317,1275 -0.732,1276 2.284,1277 -0.657,1280 50.045,1281 126.455,1282 301.332,1283 388.959,1284 432.244,1285 450.508,1286 450.508,1287 142.959,1288 8.252,1289 146.28,1290 146.28,1291 24,1292 13.112,1293 4.322,1294 3.807,1295 82.382,1296 246,1297 228,1298 0.159,1299 308.174,1300 564.77,1301 743.704,1302 50860,1304 31.148,1305 0.724,1306 0.581,1307 31.148,1308 24.962,1309 20.622,1310 0.448,1311 0.31,1312 14.013,1313 19.624,1314 13.58,1315 11.281,1316 20.622,1317 14.25,1318 18.309,1319 0.282,1320 0.166,1321 18.309,1322 10.792,1323 15.778,1324 0.177,1325 0.094,1326 15.778,1327 8.347,1328 12.877,1329 0.112,1330 0.053,1331 12.877,1332 6.061,1333 10.17,1334 0.07,1335 0.03,1336 10.17,1337 4.305,1338 0.257,1339 131.07,1340 0.184,1341 38.27,1342 0.42,1343 222,1344 721.831,1345 246.653,1346 680.143,1347 900.26,1348 630,1349 265,1350 641.379,1351 288.941,1352 644.449,1353 936.54,1354 600,1355 5.943} {0 CHEMBL418823,1 1.227,2 14.769,3 6.904,4 47.671,5 112.362,6 5.604,7 0.37,8 4.18,9 4.333,10 3.483,11 3.679,12 5.01,13 3.593,14 4.779,15 5.008,16 3.713,17 4.056,18 5.507,19 3.916,20 5.056,21 5.351,22 3.705,23 4.151,24 5.688,25 3.967,26 5.025,27 5.318,28 3.636,29 4.115,30 5.66,31 3.922,32 4.998,33 5.303,34 3.577,35 4.048,36 5.624,37 3.848,38 4.915,39 5.204,40 3.517,41 4.004,42 5.545,43 3.812,44 4.879,45 5.166,46 3.489,47 3.985,48 5.526,49 3.79,50 4.845,51 5.137,52 3.44,53 3.947,54 5.472,55 3.75,56 0.09,57 0.864,58 16.272,59 6.54,60 9.659,61 9.527,62 0.191,63 1.356,64 27.715,65 10.58,66 18.925,67 15.625,68 0.26,69 1.57,70 34.205,71 12.769,72 24.96,73 18.993,74 0.249,75 1.529,76 33.227,77 12.322,78 24.101,79 18.421,80 0.323,81 1.445,82 32.094,83 11.851,84 25.476,85 17.607,86 0.24,87 1.348,88 29.73,89 11.13,90 21.232,91 16.44,92 0.275,93 1.324,94 28.846,95 10.821,96 22.33,97 16.049,98 0.205,99 1.275,100 27.621,101 10.478,102 18.945,103 15.535,104 32,105 32,106 0.2,107 0.45,108 0.666,109 0.786,110 0.849,111 0.888,112 3.302,113 1.198,114 -6.36,115 -6.19,116 -5.75,119 35.9,120 2,121 10,125 3,140 3,141 2,142 1,149 1,150 1,169 13,172 3,176 5,178 11,182 3,186 5,189 9,193 2,197 2,199 9,203 2,206 1,207 1,208 1,211 10,215 1,220 1,222 10,226 1,229 1,231 3,233 10,237 1,242 2,244 9,249 2,254 3,256 9,259 1272,260 18.225,261 18.225,262 18.225,263 18.225,264 18.225,265 17.096,266 13.523,267 12.01,268 18.491,269 13.346,270 13.346,271 13.346,272 13.346,273 13.346,274 11.58,275 13.806,276 5.748,277 13.754,278 4.773,279 3.239,280 1.921,281 1.179,282 0.797,283 0.555,284 3.978,289 1,290 776,291 4.123,294 68.885,295 77.953,298 122.477,302 2.521,303 10.96,306 0.75,307 0.67,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.74,314 54,315 384,316 4.55,317 3.187,318 6.547,319 4.076,320 3.092,321 4.504,322 0.86,323 10.361,324 3.043,325 3.715,326 2.776,327 5.317,328 3.329,329 2.389,330 3.129,331 0.4,332 6.865,333 2.245,334 3.351,335 2.222,336 5.099,337 2.976,338 2.01,339 2.676,341 5.93,342 1.936,343 2.905,344 1.954,345 4.17,346 2.888,347 1.892,348 1.916,350 3.794,351 1.881,352 2.832,353 1.905,354 3.897,355 2.734,356 1.768,357 1.879,359 3.676,360 1.706,361 2.725,362 1.699,363 3.782,364 2.601,365 1.613,366 1.774,368 3.385,369 1.592,370 2.624,371 1.405,372 3.617,373 2.328,374 1.347,375 1.628,377 3.145,378 1.32,379 2.363,380 1.362,381 3.354,382 2.194,383 1.232,384 1.346,386 2.422,387 1.18,388 2.231,389 1.228,390 3.232,391 2.118,392 1.145,393 1.221,395 2.266,396 1.111,397 2.096,398 0.917,399 3.14,400 1.766,401 0.809,402 1.003,404 1.706,405 0.771,406 1.719,407 0.786,408 2.776,409 1.619,410 0.656,411 0.69,413 1.222,414 0.628,415 1.554,416 0.523,417 2.618,418 1.419,419 0.443,420 0.488,422 0.811,423 0.432,424 1.207,425 0.25,426 2.362,427 1.092,428 0.132,429 0.139,431 0.239,432 0.126,433 0.923,434 -0.03,435 2.147,436 0.773,437 -0.199,438 -0.214,440 -0.359,441 -0.193,442 0.735,443 -0.282,444 2,445 0.576,446 -0.395,447 -0.419,449 -0.737,450 -0.383,451 12.633,452 0.486,453 0.239,454 0.009,455 23.5,456 0.904,457 8.5,458 0.327,459 15,460 0.577,461 28.246,462 1.086,463 31.167,464 0.487,465 13.142,466 0.505,467 3.675,468 0.141,469 9.172,470 0.353,471 0.079,473 0.158,479 1.04,480 1.433,481 1.152,482 1.324,483 1.039,484 1.254,485 1.254,486 1.277,487 1.172,488 1.229,489 1.035,490 1.199,491 1.167,492 0.973,493 0.937,494 0.94,495 0.982,496 0.927,497 1.134,498 1.057,499 1.01,500 1.027,501 1.079,502 1.012,503 0.984,504 0.931,505 0.938,506 0.953,507 0.96,508 0.944,509 1.396,510 1.006,511 1.026,512 0.987,513 1.306,514 0.988,515 1.165,516 1.021,517 1.063,518 1.026,519 1.2,520 1.039,521 1.124,522 1.019,523 1.026,524 1.019,525 1.167,526 1.017,527 2.5,528 0.078,529 1.556,530 0.854,531 0.653,532 0.396,533 0.273,534 0.2,535 0.153,536 0.121,537 8920,538 13638,539 2.018,540 59.4,541 20,542 9,543 1,545 2,547 6,550 1.684,551 1.95,552 3.821,553 0.137,559 78.537,560 1.227,561 2.761,562 4.079,563 4.821,564 5.203,565 5.445,566 3.383,567 4.335,568 4.655,569 3.985,570 1295.08,571 8.045,572 18084.9,577 384,578 0.991,579 4.662,580 0.093,581 0.004,582 0.049,583 0.028,584 0.023,585 0.015,586 0.011,587 0.008,588 0.007,589 0.006,590 0.243,591 0.5,592 0.75,593 2.716,594 133.188,595 0.022,596 -0.069,597 0.036,598 -0.032,599 0.052,600 -0.001,601 -0.048,602 -0.113,603 -0.076,604 -0.108,605 0.07,606 -0.095,607 -0.006,608 0.018,609 0.067,610 0.05,611 0.093,612 0.062,613 -0.017,614 -0.053,615 -0.004,616 -0.034,618 -0.02,619 0.162,620 0.044,621 0.056,622 0.01,623 0.116,624 0.023,625 -0.072,626 -0.021,627 -0.011,628 0.008,629 -0.104,630 0.002,631 0.033,632 -0.009,633 -0.047,634 -0.024,635 -0.057,636 -0.04,637 -0.047,638 -0.017,639 -0.025,640 -0.018,641 -0.097,642 -0.019,643 0.669,644 2.494,645 0.346,646 37.45,647 0.976,648 1.136,649 5.129,650 26.307,651 0.612,652 3.332,653 3.497,654 3.689,655 3.892,656 4.043,657 4.111,658 4.205,659 4.29,660 4.22,661 4.22,662 8.207,663 0.551,664 358.63,665 3.332,666 4.779,667 5.565,668 6.375,669 7.195,670 8.03,671 8.873,672 9.725,673 10.582,674 11.446,675 3.1,677 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 64,716 10,717 1,718 27,720 65,721 23,722 8,723 3,724 3,730 2,731 3,736 2,743 10,745 8,746 15,764 38,765 2,766 2,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,814 1,819 1,823 2,827 26,833 13,834 1,835 1,847 1.6,852 1,854 13.333,855 11.5,856 6.306,857 4.799,858 2.058,859 1.299,860 0.935,861 10.638,862 8.941,863 3.497,864 3.937,865 4.484,866 5.07,867 5.548,868 5.867,869 6.223,870 6.549,871 6.353,872 6.398,873 1,874 31,875 9.689,877 3.775,878 7.295,879 19.755,881 15.713,883 1.795,884 46.667,885 0.001,888 423.76,889 102.422,890 34.796,892 11,895 102.422,896 434.76,897 34.796,898 17.65,899 34.149,900 55.487,902 38.787,903 13.915,904 411.989,906 423.76,907 137.218,908 11,911 353.133,912 81.626,915 86.596,916 50.622,919 423.76,920 45.796,921 102.422,924 423.76,925 47.295,926 55.127,927 34.796,928 11,929 423.76,930 45.796,931 102.422,933 0.527,934 0.289,935 0.153,936 0.081,937 10,938 4,939 0.231,940 15,941 1,942 1.222,943 4.098,944 183.192,945 0.222,946 9,947 122.211,951 21.148,952 13.079,953 7.96,954 2.51,955 29.011,956 8.577,958 3.385,961 2.383,963 34.796,964 571.978,965 32,975 62.436,976 72.68,977 0.205,978 0.46,979 0.68,980 0.803,981 0.867,982 0.908,983 4.649,984 1.232,985 5.442,986 3.145,987 4.174,988 4.62,989 1.029,990 6.116,991 4.116,992 5.745,993 1.145,994 6.897,995 2.422,996 3.219,997 4.227,999 6.783,1000 3.144,1001 6.984,1002 0.809,1003 8.468,1004 2.266,1005 5.595,1006 6.759,1007 0.763,1008 9.946,1009 5.486,1010 8.279,1011 0.656,1012 10.12,1013 1.706,1014 5.673,1015 7.453,1017 11.652,1018 5.555,1019 9.629,1020 0.443,1021 11.832,1022 1.222,1023 7.34,1024 9.355,1025 0.597,1026 14.264,1027 7.195,1028 11.019,1029 0.132,1030 13.585,1031 0.811,1032 7.967,1033 10.518,1035 16.363,1036 7.819,1037 12.44,1038 -0.199,1039 15.369,1040 0.239,1041 9.316,1042 12.181,1043 0.47,1044 18.798,1045 9.146,1046 3.092,1047 -0.395,1048 17.176,1049 -0.359,1050 10.218,1051 13.543,1053 21.045,1054 10.044,1055 2.389,1056 10.361,1057 18.999,1058 -0.737,1059 11.43,1060 15.111,1061 0.367,1062 23.418,1063 11.239,1064 2.01,1065 6.865,1066 20.835,1067 4.504,1068 12.46,1069 16.555,1071 25.72,1072 12.261,1073 1.892,1074 5.93,1075 22.68,1076 3.129,1077 13.618,1078 18.086,1079 0.283,1080 28.072,1081 13.405,1082 1.768,1083 3.794,1084 24.532,1085 2.676,1086 14.703,1087 19.565,1089 30.396,1090 14.479,1091 1.613,1092 3.676,1093 26.389,1094 1.916,1095 15.842,1096 21.081,1097 0.217,1098 32.739,1099 15.603,1100 1.347,1101 3.385,1102 28.251,1103 1.879,1104 16.951,1105 22.575,1107 35.071,1108 16.699,1109 9111,1110 11466,1111 18.257,1112 39.171,1113 36.93,1114 37.345,1115 38.21,1116 37.054,1117 37.061,1118 44.786,1119 2.52,1120 91.645,1121 35.942,1122 5.492,1123 5.187,1124 6.523,1125 5.135,1126 5.092,1127 7.504,1128 1.72,1129 17.019,1130 5.043,1131 10.42,1132 1.368,1133 1.383,1134 1.415,1135 1.372,1136 1.373,1137 1.659,1138 0.093,1139 3.394,1140 1.331,1141 4.132,1142 4.164,1143 4.089,1144 4.045,1145 4.994,1146 4.052,1147 3.798,1148 3.863,1149 3.631,1150 3.675,1151 4.588,1152 3.655,1153 3.721,1154 3.797,1155 3.562,1156 3.56,1157 4.319,1158 3.548,1159 3.625,1160 3.69,1161 3.468,1162 3.476,1163 4.214,1164 3.461,1165 3.515,1166 3.581,1167 3.357,1168 3.389,1169 4.084,1170 3.375,1171 3.392,1172 3.469,1173 3.217,1174 3.191,1175 4.025,1176 3.183,1177 3.285,1178 3.367,1179 3.086,1180 3.109,1181 3.929,1182 3.097,1183 3.104,1184 3.2,1185 2.899,1186 2.902,1187 3.748,1188 2.888,1189 0.169,1190 0.118,1191 0.242,1192 0.151,1193 0.115,1194 4.55,1195 0.167,1196 3.187,1197 0.032,1198 6.547,1199 0.384,1200 4.076,1201 0.113,1202 3.092,1203 4.504,1204 0.86,1205 10.361,1206 3.043,1207 1.938,1208 1.919,1209 2.06,1210 2.031,1211 1.41,1212 2.033,1213 1.801,1214 1.74,1215 2.024,1216 1.956,1217 1.284,1218 1.991,1219 1.727,1220 1.659,1221 1.978,1222 1.927,1223 1.231,1224 1.946,1225 1.632,1226 1.567,1227 1.912,1228 1.813,1229 1.206,1230 1.85,1231 1.613,1232 1.551,1233 1.834,1234 1.794,1235 1.032,1236 1.815,1237 1.376,1238 1.3,1239 1.698,1240 1.614,1241 0.956,1242 1.639,1243 1.318,1244 1.229,1245 1.597,1246 1.566,1247 0.745,1248 1.588,1249 1.125,1250 1.045,1251 1.455,1252 1.378,1253 0.664,1254 1.412,1255 4.007,1257 5.209,1258 2.398,1259 6.597,1260 4.727,1261 8.093,1262 6.823,1263 9.662,1265 4.499,1271 15.793,1272 3.525,1273 5.994,1280 35.24,1281 78.537,1282 176.716,1283 261.067,1284 308.516,1285 332.98,1286 348.49,1287 48.571,1288 6.883,1289 37.05,1290 37.05,1291 11,1292 11.997,1293 3.459,1294 2.585,1295 55.468,1296 124,1297 150,1298 0.213,1299 222.483,1300 380.17,1301 534.618,1302 9336,1304 18.452,1305 0.71,1306 0.65,1307 18.452,1308 16.91,1309 12.847,1310 0.476,1311 0.399,1312 10.708,1313 12.566,1314 10.423,1315 8.833,1316 12.847,1317 10.783,1318 9.907,1319 0.31,1320 0.23,1321 9.907,1322 7.345,1323 7.815,1324 0.2,1325 0.129,1326 7.815,1327 5.034,1328 6.135,1329 0.128,1330 0.07,1331 6.135,1332 3.353,1333 4.691,1334 0.084,1335 0.039,1336 4.691,1337 2.2,1338 0.351,1339 78.944,1340 0.234,1341 26.374,1342 0.537,1343 118,1344 238.401,1345 124.651,1346 232.748,1347 326.24,1348 222,1349 130,1350 241.553,1351 136.653,1352 245.209,1353 355.89,1354 233,1355 6.652} {0 CHEMBL420191,1 1.311,2 9.423,3 5.293,4 28.019,5 108.498,6 6.664,7 0.552,8 4.021,9 4.15,10 3.508,11 3.62,12 5.002,13 3.564,14 4.592,15 4.78,16 3.848,17 4.045,18 5.46,19 3.958,20 4.885,21 5.115,22 3.933,23 4.214,24 5.68,25 4.092,26 5.007,27 5.256,28 3.92,29 4.262,30 5.791,31 4.118,32 5.058,33 5.319,34 3.88,35 4.28,36 5.801,37 4.116,38 5.085,39 5.355,40 3.843,41 4.262,42 5.859,43 4.091,44 5.027,45 5.304,46 3.704,47 4.19,48 5.807,49 4.004,50 4.872,51 5.153,52 3.532,53 4.032,54 5.645,55 3.841,56 0.051,57 0.717,58 11.792,59 5.106,60 9.027,61 7.119,62 0.139,63 1.23,64 21.692,65 8.702,66 15.456,67 12.394,68 0.18,69 1.587,70 29.538,71 11.764,72 22.116,73 16.949,74 0.283,75 1.743,76 33.871,77 13.222,78 29.268,79 19.06,80 0.212,81 1.789,82 35.577,83 14.495,84 28.106,85 20.749,86 0.28,87 1.813,88 36.917,89 14.704,90 37.307,91 20.987,92 0.309,93 1.685,94 34.968,95 13.945,96 38.979,97 19.934,98 0.196,99 1.437,100 29.767,101 12.123,102 29.463,103 17.336,104 10,105 40,106 0.218,107 0.562,108 0.777,109 0.853,110 0.871,111 0.871,112 3.305,113 0.998,114 -5.12,115 -5.02,116 -4.7,119 44.2,120 1,121 4,125 2,127 1,140 7,141 5,149 1,150 1,153 1,169 15,172 5,176 3,178 17,182 6,186 2,189 14,193 5,195 1,197 2,199 10,203 6,208 1,211 14,215 3,218 1,220 1,222 18,225 1,226 1,233 19,242 2,244 15,249 2,254 3,256 9,259 970,260 18.24,261 18.24,262 18.24,263 18.24,264 18.24,265 16.286,266 16.33,267 10.924,268 18.377,269 14.256,270 14.256,271 14.256,272 14.256,273 14.256,274 11.261,275 19.823,276 5.031,277 14.488,278 4.389,279 2.326,280 1.037,281 0.582,282 0.476,283 0.476,284 4.007,288 1,289 1,290 536,291 3.24,294 51.061,295 188.221,298 86.634,299 90.957,302 1.391,303 14.481,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 54,315 245,316 4.687,317 3.412,318 6.919,319 4.258,320 3.266,321 4.646,322 0.916,323 11.66,324 3.241,325 4.013,326 3.145,327 6.189,328 3.819,329 2.865,330 3.463,331 0.172,332 9.242,333 2.737,334 3.889,335 2.903,336 5.839,337 3.526,338 2.533,339 3.362,341 8.009,342 2.515,343 3.623,344 2.594,345 5.313,346 3.333,347 2.349,348 2.827,350 6.834,351 2.306,352 3.415,353 2.467,354 5.112,355 2.965,356 1.977,357 2.699,359 5.895,360 1.949,361 2.962,362 1.966,363 4.644,364 2.627,365 1.63,366 2.103,368 4.643,369 1.624,370 2.901,371 1.681,372 4.345,373 2.56,374 1.574,375 2.051,377 4.084,378 1.55,379 2.583,380 1.598,381 3.701,382 2.408,383 1.416,384 1.588,386 3.01,387 1.404,388 2.5,389 1.502,390 3.587,391 2,392 1,393 1.5,395 2.165,396 1,397 2.394,398 1,399 3.314,400 1.926,401 0.937,402 1.27,404 2.136,405 0.923,406 2.067,407 0.978,408 3.247,409 1.812,410 0.849,411 0.98,413 1.92,414 0.813,415 2.01,416 0.914,417 3.062,418 1.76,419 0.759,420 0.856,422 1.508,423 0.757,424 1.857,425 0.752,426 2.776,427 1.398,428 0.319,429 0.513,431 0.5,432 0.342,433 1.057,434 0.11,435 2.652,436 0.824,437 -0.153,438 -0.174,440 -0.332,441 -0.149,442 0.861,443 -0.183,444 2.516,445 0.622,446 -0.361,447 -0.407,449 -0.807,450 -0.354,451 12.633,452 0.486,453 0.462,454 0.018,455 31.5,456 1.212,457 15.5,458 0.596,459 16,460 0.615,461 24.004,462 0.923,463 27.567,464 0.53,465 21.087,466 0.811,467 5.977,468 0.23,469 6.819,470 0.262,471 0.066,473 0.309,479 0.734,480 1.204,481 0.889,482 1.044,483 0.516,484 0.985,485 0.962,486 1.092,487 0.992,488 0.988,489 0.626,490 0.984,491 0.784,492 1.102,493 0.982,494 1.035,495 0.458,496 1.018,497 0.872,498 1.04,499 1.029,500 1.03,501 0.681,502 1.035,503 0.729,504 1.067,505 0.979,506 1.068,507 0.675,508 1.046,509 0.901,510 0.978,511 0.989,512 1.01,513 0.957,514 1.009,515 0.912,516 0.91,517 1.021,518 0.976,519 1.042,520 1.005,521 0.781,522 0.942,523 0.979,524 1.002,525 0.87,526 1.007,527 4,528 0.044,529 2.667,530 1.472,531 1.454,532 0.729,533 0.517,534 0.41,535 0.283,536 0.155,537 7624,538 16162,539 2.148,540 50,541 5,542 12,543 1,544 1,545 1,547 6,550 1.696,551 2.053,552 3.22,553 -0.446,559 68.17,560 1.311,561 3.375,562 4.664,563 5.118,564 5.224,565 5.224,566 2.632,567 3.979,568 4.673,569 3.355,570 1090.53,571 8.126,572 13342.1,577 296.423,578 1.239,579 4.65,580 0.138,581 0.003,582 0.067,583 0.035,584 0.036,585 0.019,586 0.014,587 0.013,588 0.011,589 0.007,590 0.344,591 0.5,592 1,593 0.931,594 125.307,595 0.009,596 -0.056,597 0.06,598 0.013,599 0.042,600 0.035,601 -0.085,602 0.014,603 -0.023,604 0.02,605 -0.03,606 0.006,607 -0.015,608 -0.058,609 -0.016,610 -0.045,611 0.048,612 -0.031,613 0.036,614 -0.024,615 -0.052,616 -0.054,617 0.041,618 -0.058,619 0.021,620 -0.1,621 -0.016,622 -0.077,623 0.021,624 -0.053,625 0.019,626 -0.02,627 -0.011,628 -0.033,629 -0.029,630 -0.027,631 0.009,632 0.035,633 -0.045,634 0.002,635 -0.067,636 -0.022,637 -0.012,638 -0.01,639 -0.013,640 -0.018,641 -0.041,642 -0.015,643 1.017,644 4.496,645 0.731,646 21.178,647 0.983,648 1.119,649 3.891,650 15.142,651 0.665,652 3.401,653 3.714,654 4.043,655 4.357,656 4.615,657 4.718,658 4.883,659 5.056,660 5.142,661 5.142,662 5.735,663 0.617,664 346.51,665 3.401,666 4.934,667 5.802,668 6.691,669 7.581,670 8.481,671 9.38,672 10.285,673 11.189,674 12.098,675 3.8,678 1,683 1,687 2,688 8,690 1,693 4,695 16,696 1,714 52,716 17,717 2,718 29,720 55,721 23,722 14,723 5,724 7,725 1,730 4,731 7,736 1,740 4,743 5,745 15,746 8,750 1,755 1,757 1,764 26,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 1,827 26,833 6,837 1,838 1,847 1.9,850 1,854 12.667,855 9.45,856 5.889,857 3.482,858 3.036,859 1.398,860 1.007,861 5.01,862 10.663,863 3.664,864 4.245,865 4.88,866 5.502,867 6.026,868 6.317,869 6.684,870 7.089,871 7.233,872 7.419,873 1,874 42,875 9.645,877 4.083,878 7.494,879 19.201,881 16.38,883 1.994,884 51.833,888 294.278,889 127.439,890 19.91,892 25.145,895 127.439,896 319.422,897 19.91,898 8.825,899 14.35,900 75.381,901 48.34,902 35.225,903 13.915,904 270.735,906 294.278,907 147.349,908 25.145,911 223.651,912 95.772,915 43.085,916 92.841,917 11.424,919 294.278,920 45.055,921 127.439,924 294.278,925 31.809,926 98.755,927 16.786,928 25.145,929 294.278,930 45.055,931 127.439,933 0.566,934 0.345,935 0.203,936 0.115,937 20,938 8,939 0.109,940 6,941 2,942 1.211,943 3.769,944 227.48,945 0.211,946 19,947 115.457,951 17.206,952 7.57,953 3.408,954 2.218,955 28.269,956 16.951,958 3.253,961 4.951,963 16.786,964 466.772,965 38,970 11.496,972 0.983,975 51.134,976 58.188,977 0.23,978 0.592,979 0.818,980 0.898,981 0.916,982 0.916,983 4.89,984 1.416,985 5.771,986 4.084,987 4.394,988 4.931,989 0.918,990 6.605,991 4.363,992 6.075,993 1,994 7.335,995 3.01,996 3.892,997 4.677,998 0.325,999 7.557,1000 3.832,1001 7.375,1002 0.937,1003 9.004,1004 2.165,1005 5.994,1006 7.152,1007 0.671,1008 10.702,1009 5.927,1010 8.716,1011 0.849,1012 10.737,1013 2.136,1014 6.382,1015 7.84,1016 0.393,1017 12.536,1018 6.29,1019 10.097,1020 0.759,1021 12.514,1022 1.92,1023 7.902,1024 9.74,1025 0.533,1026 15.193,1027 7.803,1028 11.507,1029 0.319,1030 14.32,1031 1.508,1032 8.705,1033 10.878,1034 0.384,1035 17.387,1036 8.589,1037 12.941,1038 -0.153,1039 16.148,1040 0.5,1041 9.996,1042 12.553,1043 0.438,1044 19.893,1045 9.871,1046 3.266,1047 -0.361,1048 17.993,1049 -0.332,1050 10.994,1051 13.907,1052 0.351,1053 22.236,1054 10.859,1055 2.865,1056 11.66,1057 19.852,1058 -0.807,1059 12.197,1060 15.493,1061 0.366,1062 24.697,1063 12.055,1064 2.533,1065 9.242,1066 21.721,1067 4.646,1068 13.286,1069 16.947,1070 0.312,1071 27.102,1072 13.137,1073 2.349,1074 8.009,1075 23.6,1076 3.463,1077 14.459,1078 18.499,1079 0.309,1080 29.551,1081 14.304,1082 1.977,1083 6.834,1084 25.486,1085 3.362,1086 15.59,1087 19.998,1088 0.273,1089 31.983,1090 15.43,1091 1.63,1092 5.895,1093 27.378,1094 2.827,1095 16.757,1096 21.539,1097 0.262,1098 34.432,1099 16.592,1100 1.574,1101 4.643,1102 29.276,1103 2.699,1104 17.909,1105 23.058,1106 0.236,1107 36.876,1108 17.739,1109 7254,1110 10673,1111 19.879,1112 34.603,1113 43.734,1114 44.77,1115 44.368,1116 43.055,1117 42.947,1118 55.717,1119 2.178,1120 123.216,1121 42.321,1122 5.632,1123 5.412,1124 6.721,1125 5.282,1126 5.266,1127 7.646,1128 1.605,1129 18.942,1130 5.241,1131 9.362,1132 1.508,1133 1.544,1134 1.53,1135 1.485,1136 1.481,1137 1.921,1138 0.075,1139 4.249,1140 1.459,1141 4.167,1142 4.196,1143 4.126,1144 4.094,1145 7.452,1146 4.098,1147 3.928,1148 3.968,1149 3.852,1150 3.856,1151 4.935,1152 3.85,1153 3.759,1154 3.813,1155 3.657,1156 3.629,1157 4.754,1158 3.629,1159 3.585,1160 3.654,1161 3.44,1162 3.442,1163 4.363,1164 3.43,1165 3.367,1166 3.419,1167 3.236,1168 3.238,1169 4.193,1170 3.229,1171 3.207,1172 3.271,1173 3.064,1174 3.035,1175 3.968,1176 3.027,1177 3.054,1178 3.124,1179 2.917,1180 2.888,1181 3.794,1182 2.871,1183 3.034,1184 3.103,1185 2.845,1186 2.803,1187 3.674,1188 2.822,1189 0.162,1190 0.118,1191 0.239,1192 0.147,1193 0.113,1194 4.687,1195 0.16,1196 3.412,1197 0.032,1198 6.919,1199 0.402,1200 4.258,1201 0.112,1202 3.266,1203 4.646,1204 0.916,1205 11.66,1206 3.241,1207 2.033,1208 2.01,1209 2.141,1210 2.118,1211 1.477,1212 2.128,1213 1.911,1214 1.881,1215 2.039,1216 2,1217 1.221,1218 2.014,1219 1.679,1220 1.618,1221 1.915,1222 1.855,1223 1.102,1224 1.875,1225 1.556,1226 1.515,1227 1.76,1228 1.766,1229 1.002,1230 1.761,1231 1.526,1232 1.464,1233 1.679,1234 1.683,1235 0.796,1236 1.696,1237 1.246,1238 1.171,1239 1.528,1240 1.464,1241 0.695,1242 1.49,1243 1.096,1244 1.027,1245 1.402,1246 1.29,1247 0.626,1248 1.332,1249 0.955,1250 0.891,1251 1.272,1252 1.241,1253 0.441,1254 1.235,1255 4.078,1257 5.389,1258 2.398,1259 6.915,1260 4.727,1261 8.541,1262 6.843,1263 10.224,1265 2.254,1271 6.569,1275 0.53,1276 2.629,1280 32.079,1281 68.17,1282 175.487,1283 242.507,1284 266.158,1285 271.668,1286 271.668,1287 36.274,1288 7.627,1289 36.1,1290 36.1,1291 23,1292 12.615,1293 4.17,1294 3.322,1295 37.82,1296 89,1297 90,1298 0.209,1299 195.986,1300 333.99,1301 469.967,1302 20596,1304 17.933,1305 0.69,1306 0.591,1307 17.933,1308 15.372,1309 12.796,1310 0.441,1311 0.333,1312 9.584,1313 12.549,1314 9.327,1315 7.752,1316 12.796,1317 9.648,1318 10.946,1319 0.274,1320 0.184,1321 10.946,1322 7.34,1323 9.7,1324 0.173,1325 0.101,1326 9.7,1327 5.651,1328 8.466,1329 0.11,1330 0.057,1331 8.466,1332 4.396,1333 7.09,1334 0.071,1335 0.033,1336 7.09,1337 3.293,1338 0.32,1339 78.514,1340 0.224,1341 24.695,1342 0.599,1343 138,1344 305.714,1345 143.575,1346 304.59,1347 426.39,1348 288,1349 165,1350 315.164,1351 171.325,1352 325.792,1353 477.88,1354 308,1355 7.481} {0 CHEMBL420475,1 1.446,2 9.87,3 2.966,4 8.798,5 90.726,6 6.648,7 0.385,8 3.945,9 4.086,10 3.43,11 3.464,12 4.882,13 3.425,14 4.534,15 4.741,16 3.762,17 3.883,18 5.412,19 3.806,20 4.808,21 5.057,22 3.781,23 4.002,24 5.66,25 3.886,26 4.839,27 5.111,28 3.681,29 3.948,30 5.727,31 3.816,32 4.714,33 4.991,34 3.598,35 3.824,36 5.568,37 3.703,38 4.556,39 4.809,40 3.525,41 3.745,42 5.44,43 3.638,44 4.495,45 4.742,46 3.428,47 3.691,48 5.377,49 3.56,50 4.477,51 4.751,52 3.221,53 3.571,54 5.298,55 3.423,56 0.045,57 0.73,58 11.186,59 4.249,60 5.945,61 6.292,62 0.214,63 1.182,64 21.002,65 7.319,66 18.112,67 11.097,68 0.25,69 1.39,70 28.165,71 9.459,72 26.195,73 14.413,74 0.348,75 1.347,76 29.556,77 9.311,78 43.306,79 14.428,80 0.286,81 1.208,82 26.076,83 8.022,84 33.251,85 12.585,86 0.284,87 1.098,88 22.113,89 6.73,90 25.001,91 10.534,92 0.193,93 1.005,94 20.452,95 7.045,96 24.945,97 10.728,98 0.255,99 0.921,100 20.587,101 6.485,102 24.834,103 9.935,104 5,105 37,106 0.249,107 0.572,108 0.751,109 0.822,110 0.822,111 0.822,112 3.189,113 1.001,114 -3.48,115 -3.45,116 -3.3,119 38.3,121 5,122 2,124 1,125 2,140 2,141 1,144 1,145 1,149 1,150 1,156 1,169 8,172 5,174 2,176 4,178 5,182 5,184 1,186 5,189 1,192 1,193 6,197 4,199 3,203 3,207 1,208 1,211 6,214 1,215 2,218 1,220 2,222 6,226 2,229 1,231 1,233 4,237 3,240 1,242 2,244 5,254 1,256 5,259 729,260 15.74,261 15.74,262 15.74,263 15.74,264 15.74,265 14.505,266 20.632,267 9.164,268 15.996,269 12.836,270 12.836,271 12.836,272 12.836,273 12.836,274 10.852,275 26.74,276 4.364,277 13.236,278 4.108,279 2.236,280 1.191,281 0.782,282 0.782,283 0.782,284 3.882,287 1,288 1,289 1,290 503,291 2.739,293 55.115,294 50.089,295 125.608,298 90.116,302 1.527,303 17.738,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 49,315 227,316 4.587,317 3.72,318 6.719,319 4.15,320 3.174,321 4.52,322 1.907,323 10.946,324 3.1,325 4.023,326 3.296,327 6.067,328 3.85,329 2.849,330 3.292,331 0.8,332 8.742,333 2.848,334 3.764,335 2.785,336 5.772,337 3.56,338 2.592,339 3.01,340 0.149,341 7.869,342 2.509,343 3.531,344 2.547,345 5.253,346 3.247,347 2.306,348 2.788,350 6.641,351 2.168,352 3.295,353 2.301,354 5.033,355 3.054,356 2.108,357 2.39,359 5.999,360 1.985,361 2.882,362 2.185,363 4.548,364 2.595,365 1.582,366 1.965,368 4.368,369 1.591,370 2.836,371 1.522,372 4.228,373 2.471,374 1.502,375 1.85,377 3.923,378 1.451,379 2.546,380 1.18,381 3.955,382 2.092,383 1.139,384 1.557,386 3.011,387 1.082,388 2.043,389 1.077,390 3.414,391 1.984,392 1,393 1,395 2.275,396 0.983,397 2,398 0.801,399 3.25,400 1.6,401 0.639,402 0.869,404 1.559,405 0.612,406 1.418,407 0.696,408 2.984,409 1.319,410 0.326,411 0.346,413 0.787,414 0.321,415 1.21,416 0.353,417 2.618,418 1,424 1,426 2.494,427 0.855,428 -0.124,429 -0.142,431 -0.286,432 -0.121,433 0.841,434 -0.034,435 2.435,436 0.65,437 -0.328,438 -0.396,440 -0.803,441 -0.317,442 0.635,443 -0.515,444 2.131,445 0.128,446 -0.858,447 -1,449 -2.211,450 -0.843,451 10.933,452 0.475,453 0.554,454 0.024,455 25.5,456 1.109,457 10,458 0.435,459 15.5,460 0.674,461 20.855,462 0.907,463 25.667,464 0.546,465 16.044,466 0.698,467 4.376,468 0.19,469 6.828,470 0.297,471 0.076,473 0.357,479 0.813,480 1.459,481 0.886,482 1.169,483 0.545,484 1.05,485 0.788,486 1.181,487 0.967,488 1.078,489 0.503,490 1.041,491 0.981,492 1.129,493 0.986,494 1.077,495 0.952,496 1.038,497 1.151,498 0.991,499 0.993,500 0.946,501 1.238,502 0.951,503 1.123,504 0.976,505 0.933,506 0.89,507 1.122,508 0.887,509 1.207,510 0.919,511 1.122,512 0.944,513 1.001,514 0.997,515 0.802,516 1.187,517 1.04,518 1.189,519 0.786,520 1.146,521 1.297,522 0.886,523 1.131,524 0.971,525 1.37,526 1.022,527 4.5,528 0.049,529 2.778,530 1.382,531 1.263,532 0.525,533 0.453,534 0.364,535 0.198,536 0.082,537 6031,538 11834,539 2.168,540 51.1,541 7,542 9,543 1,545 2,546 1,547 4,550 1.657,551 2.06,552 3.294,553 0.278,554 1,555 1,559 67.968,560 1.446,561 3.319,562 4.364,563 4.773,564 4.773,565 4.773,566 2.736,567 4.089,568 4.492,569 3.398,570 859.766,571 7.737,572 9671.79,574 1,576 1,577 261.066,578 1.302,579 4.469,580 0.173,581 0.005,582 0.079,583 0.041,584 0.042,585 0.019,586 0.017,587 0.016,588 0.011,589 0.006,590 0.41,591 0.5,592 1,593 0.503,594 107.343,595 -0.027,596 -0.168,597 0.07,598 -0.022,599 0.019,600 0.026,601 0.082,602 -0.02,603 0.002,604 -0.027,605 0.102,606 -0.022,607 -0.016,608 -0.103,609 -0.01,610 -0.074,611 -0.001,612 -0.046,613 -0.032,614 -0.022,615 0.001,616 0.015,617 -0.017,618 0.012,619 -0.043,620 0.003,621 0.062,622 0.058,623 -0.051,624 0.07,625 -0.108,626 0.163,627 -0.121,628 0.007,629 -0.107,630 -0.045,631 0.07,632 -0.16,633 -0.076,634 -0.174,635 0.043,636 -0.145,637 -0.137,638 0.085,639 -0.134,640 -0.022,641 -0.146,642 -0.068,643 1.542,644 5.127,645 0.826,646 19.543,647 0.991,648 1.135,649 2.245,650 5.041,651 0.64,652 3.296,653 3.638,654 3.932,655 4.143,656 4.369,657 4.454,658 4.615,659 4.762,660 4.812,661 4.844,662 5.703,663 0.597,664 312.46,665 3.296,666 4.844,667 5.707,668 6.592,669 7.47,670 8.359,671 9.245,672 10.136,673 11.026,674 11.92,675 8.5,678 1,682 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 47,716 11,718 26,720 50,721 18,722 7,730 4,731 5,740 5,741 2,743 5,745 8,746 10,747 2,750 1,755 1,759 1,760 1,761 1,764 24,765 4,766 2,767 5,773 4,777 0.75,778 1,786 1,788 1,791 1,792 1,793 2,796 1,805 1,815 1,819 3,823 1,827 23,833 7,834 1,837 2,838 1,847 2.1,850 1,854 11.167,855 8.483,856 4.944,857 3.132,858 2.14,859 1.295,860 1.002,861 4.019,862 9.383,863 3.497,864 4.065,865 4.641,866 5.215,867 5.714,868 6.082,869 6.513,870 6.911,871 6.951,872 7.157,873 0.857,874 34,875 8.579,877 3.736,878 7.522,879 17.076,881 14.939,883 2.022,884 46.5,885 0.001,887 1,888 258.964,889 67.787,890 54.706,892 25.145,895 67.787,896 284.109,897 54.706,898 8.396,899 34.895,900 28,901 46.635,902 25.24,903 16.243,904 247.193,906 258.964,907 122.493,908 25.145,911 211.88,912 72.229,915 56.949,916 48.759,917 16.786,919 258.964,920 79.851,921 67.787,924 258.964,925 31.39,926 39.521,927 34.796,928 41.93,929 258.964,930 79.851,931 67.787,933 0.588,934 0.346,935 0.172,936 0.094,937 20,938 8,939 0.06,940 3,941 1,942 1.105,943 3.645,944 188.423,945 0.105,946 19,947 98.042,951 15.01,952 6.159,953 2.967,954 2.075,955 63.066,956 6.024,957 4.733,958 3.334,961 1.982,963 34.796,964 406.602,965 32,970 12.127,974 0.125,975 46.571,976 53.355,977 0.26,978 0.598,979 0.786,980 0.859,981 0.859,982 0.859,983 4.758,984 1.139,985 5.694,986 3.923,987 4.317,988 4.749,989 2.08,990 6.509,991 4.261,992 5.937,993 1,994 7.253,995 3.011,996 3.892,997 4.59,998 1.668,999 7.402,1000 3.818,1001 7.244,1002 0.639,1003 8.912,1004 2.275,1005 5.938,1006 6.927,1007 2.929,1008 10.512,1009 5.835,1010 8.583,1011 0.326,1012 10.629,1013 1.559,1014 6.33,1015 7.663,1016 3.047,1017 12.253,1018 6.219,1019 9.958,1021 12.384,1022 0.787,1023 7.824,1024 9.486,1025 4.042,1026 14.869,1027 7.686,1028 11.358,1029 -0.124,1030 14.166,1032 8.598,1033 10.643,1034 4.412,1035 16.972,1036 8.454,1037 12.777,1038 -0.328,1039 15.967,1040 -0.286,1041 9.868,1042 12.273,1043 5.251,1044 19.427,1045 9.7,1046 3.174,1047 -0.858,1048 17.784,1049 -0.803,1050 10.828,1051 13.627,1052 5.75,1053 21.687,1054 10.65,1055 2.849,1056 10.946,1057 19.613,1058 -2.211,1059 12.007,1060 15.181,1061 6.501,1062 24.09,1063 11.808,1064 2.592,1065 8.742,1066 21.452,1067 4.52,1068 13.057,1069 16.622,1070 7.068,1071 26.421,1072 12.842,1073 2.306,1074 7.869,1075 23.3,1076 3.292,1077 14.203,1078 18.147,1079 7.771,1080 28.809,1081 13.966,1082 2.108,1083 6.641,1084 25.155,1085 3.01,1086 15.296,1087 19.626,1088 8.374,1089 31.171,1090 15.041,1091 1.582,1092 5.999,1093 27.016,1094 2.788,1095 16.432,1096 21.141,1097 9.051,1098 33.558,1099 16.155,1100 1.502,1101 4.368,1102 28.882,1103 2.39,1104 17.548,1105 22.636,1106 9.674,1107 35.934,1108 17.25,1109 5648,1110 8029,1111 17.8,1112 30.091,1113 38.773,1114 39.61,1115 39.833,1116 38.488,1117 38.429,1118 47.175,1119 5.712,1120 112.243,1121 37.301,1122 5.587,1123 5.72,1124 6.337,1125 5.208,1126 5.174,1127 7.52,1128 3.306,1129 18.077,1130 5.1,1131 8.598,1132 1.491,1133 1.523,1134 1.532,1135 1.48,1136 1.478,1137 1.814,1138 0.22,1139 4.317,1140 1.435,1141 4.133,1142 4.175,1143 4.094,1144 4.019,1145 7.428,1146 4.032,1147 3.897,1148 3.945,1149 3.788,1150 3.783,1151 5.039,1152 3.775,1153 3.804,1154 3.872,1155 3.682,1156 3.651,1157 4.426,1158 3.65,1159 3.462,1160 3.528,1161 3.375,1162 3.282,1163 4.326,1164 3.295,1165 3.233,1166 3.32,1167 3.089,1168 2.997,1169 4.206,1170 3.008,1171 3.111,1172 3.206,1173 2.953,1174 2.941,1175 3.913,1176 2.91,1177 3.093,1178 3.146,1179 2.866,1180 2.861,1181 3.711,1182 2.874,1183 2.809,1184 2.894,1185 2.691,1186 2.568,1187 3.588,1188 2.59,1189 0.176,1190 0.143,1191 0.258,1192 0.16,1193 0.122,1194 4.587,1195 0.174,1196 3.72,1197 0.073,1198 6.719,1199 0.421,1200 4.15,1201 0.119,1202 3.174,1203 4.52,1204 1.907,1205 10.946,1206 3.1,1207 1.93,1208 1.892,1209 2.099,1210 2.072,1211 1.489,1212 2.076,1213 1.883,1214 1.837,1215 2.067,1216 2.029,1217 1.436,1218 2.047,1219 1.799,1220 1.747,1221 1.921,1222 1.964,1223 1.024,1224 1.959,1225 1.453,1226 1.385,1227 1.659,1228 1.684,1229 0.825,1230 1.677,1231 1.218,1232 1.15,1233 1.513,1234 1.501,1235 0.808,1236 1.499,1237 1.153,1238 1.064,1239 1.493,1240 1.376,1241 0.558,1242 1.429,1243 1.1,1244 1.02,1245 1.314,1246 1.365,1247 0.415,1248 1.364,1249 0.874,1250 0.821,1251 1.146,1252 1.096,1253 0.325,1254 1.119,1255 3.97,1257 5.342,1258 2.398,1259 6.884,1260 4.727,1261 8.501,1262 6.843,1263 10.157,1265 2.178,1271 7.805,1272 2.991,1275 0.747,1276 2.378,1280 28.068,1281 67.968,1282 155.991,1283 205.092,1284 224.311,1285 224.311,1286 224.311,1287 33.954,1288 7.243,1289 61.02,1290 61.02,1291 21,1292 12.447,1293 3.585,1294 2.807,1295 31.863,1296 77,1297 79,1298 0.202,1299 170.395,1300 288.31,1301 407.525,1302 12946,1304 15.811,1305 0.687,1306 0.593,1307 15.811,1308 13.639,1309 11.204,1310 0.431,1311 0.334,1312 8.58,1313 10.834,1314 8.392,1315 6.921,1316 11.204,1317 8.679,1318 10.268,1319 0.278,1320 0.19,1321 10.268,1322 7.031,1323 8.903,1324 0.178,1325 0.109,1326 8.903,1327 5.437,1328 6.899,1329 0.111,1330 0.055,1331 6.899,1332 3.415,1333 5.618,1334 0.072,1335 0.031,1336 5.618,1337 2.439,1338 0.313,1339 69.766,1340 0.237,1341 22.557,1342 0.562,1343 126,1344 295.691,1345 135.847,1346 289.145,1347 402.5,1348 272,1349 150,1350 302.439,1351 160.514,1352 307.242,1353 451.97,1354 290,1355 6.046} {0 CHEMBL420748,1 1.396,2 11.321,3 6.309,4 39.809,5 117.517,6 6.965,7 0.516,8 4.114,9 4.24,10 3.635,11 3.693,12 5.045,13 3.635,14 4.697,15 4.885,16 3.989,17 4.109,18 5.558,19 4.018,20 4.989,21 5.228,22 4.025,23 4.256,24 5.753,25 4.125,26 5.038,27 5.282,28 3.978,29 4.282,30 5.77,31 4.124,32 5.117,33 5.393,34 3.829,35 4.288,36 5.735,37 4.09,38 5.15,39 5.448,40 3.789,41 4.226,42 5.777,43 4.023,44 5.036,45 5.326,46 3.731,47 4.124,48 5.709,49 3.941,50 4.865,51 5.121,52 3.697,53 4.054,54 5.615,55 3.888,56 0.054,57 0.778,58 13.042,59 5.642,60 8.011,61 7.821,62 0.171,63 1.314,64 25.152,65 9.694,66 19.641,67 13.58,68 0.302,69 1.646,70 36.552,71 12.968,72 28.099,73 18.219,74 0.406,75 1.721,76 37.89,77 13.999,78 30.787,79 19.754,80 0.224,81 1.825,82 39.81,83 15.734,84 23.196,85 22.411,86 0.344,87 1.822,88 43.261,89 15.668,90 29.979,91 22.299,92 0.346,93 1.604,94 39.04,95 13.696,96 31.22,97 19.3,98 0.308,99 1.395,100 32.648,101 11.69,102 27.991,103 16.421,104 7,105 42,106 0.229,107 0.552,108 0.78,109 0.881,110 0.898,111 0.898,112 3.374,113 1.047,114 -5.89,115 -5.74,116 -5.35,119 42.1,120 1,121 5,125 3,127 1,140 7,141 3,142 2,149 1,150 1,169 11,172 7,176 3,178 16,182 4,186 2,189 13,192 1,193 4,197 2,199 13,203 2,208 1,211 9,215 6,218 1,220 1,222 8,226 4,233 6,237 4,242 2,244 10,249 2,254 1,256 10,259 1360,260 19.438,261 19.438,262 19.438,263 19.438,264 19.438,265 17.505,266 20.548,267 11.765,268 19.885,269 15.312,270 15.312,271 15.312,272 15.312,273 15.312,274 12.425,275 24.671,276 5.516,277 16.087,278 4.437,279 2.471,280 1.086,281 0.469,282 0.364,283 0.364,284 4.076,285 1,289 1,290 698,291 3.536,294 61.709,295 228.244,298 104.837,299 109.63,302 1.75,303 13.927,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 58.333,315 317,316 4.593,317 3.341,318 6.722,319 4.174,320 3.183,321 4.525,322 0.86,323 10.959,324 3.154,325 4.042,326 3.052,327 6.13,328 3.736,329 2.79,330 3.647,331 0.8,332 9.014,333 2.64,334 3.907,335 3.007,336 5.695,337 3.58,338 2.653,339 3.292,341 7.553,342 2.437,343 3.661,344 2.638,345 5.502,346 3.342,347 2.368,348 2.762,350 7.438,351 2.301,352 3.313,353 2.53,354 4.77,355 2.887,356 2.017,357 2.558,359 5.324,360 1.766,361 3.183,362 1.974,363 4.751,364 2.768,365 1.779,366 2.476,368 5.065,369 1.697,370 2.729,371 1.768,372 4.428,373 2.612,374 1.641,375 1.78,377 4.337,378 1.575,379 2.665,380 1.609,381 3.791,382 2.38,383 1.416,384 1.714,386 2.974,387 1.352,388 2.639,389 1.315,390 3.598,391 2.205,392 1.224,393 1.686,395 2.858,396 1.199,397 2.433,398 1.278,399 3.468,400 2.169,401 1.19,402 1.43,404 2.569,405 1.142,406 2.094,407 1.073,408 3.427,409 1.88,410 0.915,411 0.993,413 2.058,414 0.879,415 2.011,416 0.914,417 3.181,418 1.787,419 0.818,420 0.964,422 1.697,423 0.79,424 1.876,425 0.662,426 3.07,427 1.53,428 0.561,429 0.75,431 1.365,432 0.542,433 1.372,434 0.481,435 2.784,436 1.207,437 0.275,438 0.295,440 0.568,441 0.255,442 0.943,443 0.208,444 2.508,445 0.631,446 -0.349,447 -0.405,449 -0.751,450 -0.252,451 13.848,452 0.495,453 0.516,454 0.018,455 32,456 1.143,457 14.5,458 0.518,459 17.5,460 0.625,461 28.35,462 1.013,463 30.552,464 0.536,465 20.01,466 0.715,467 5.851,468 0.209,469 7.89,470 0.282,471 0.088,473 0.282,479 0.819,480 1.283,481 0.737,482 1.048,483 0.729,484 1,485 1.126,486 1.164,487 0.824,488 0.985,489 0.753,490 0.99,491 1.253,492 0.984,493 0.954,494 0.928,495 0.948,496 0.95,497 0.846,498 1.053,499 0.906,500 1.052,501 0.732,502 1.081,503 0.553,504 1.133,505 0.802,506 1.085,507 0.621,508 1.089,509 0.824,510 0.948,511 0.807,512 0.931,513 0.768,514 0.937,515 1.19,516 0.85,517 0.844,518 0.841,519 0.995,520 0.866,521 1.134,522 0.983,523 0.966,524 1.012,525 1.122,526 1.031,527 4.5,528 0.144,529 2.889,530 1.313,531 1.24,532 0.639,533 0.437,534 0.346,535 0.214,536 0.176,537 10766,538 24449,539 2.137,540 50.9,541 5,542 14,543 1,545 1,547 6,548 2,550 1.709,551 2.049,552 3.472,553 -0.429,559 79.554,560 1.396,561 3.362,562 4.747,563 5.364,564 5.469,565 5.469,566 2.88,567 4.664,568 4.78,569 3.684,570 1392.71,571 8.302,572 19012.3,577 332.475,578 1.198,579 4.76,580 0.145,581 0.007,582 0.069,583 0.031,584 0.033,585 0.019,586 0.014,587 0.012,588 0.007,589 0.007,590 0.343,591 0.5,592 0.88,593 0.787,594 142.183,595 0.013,596 -0.093,597 0.041,598 -0.02,599 0.032,600 0.018,601 -0.067,602 -0.045,603 0.005,604 -0.007,605 0.089,606 -0.011,607 -0.117,608 0.054,609 -0.032,610 0.034,611 -0.02,612 0.015,613 0.084,614 -0.033,615 -0.06,616 -0.088,617 0.061,618 -0.106,619 0.031,620 -0.17,621 -0.027,622 -0.121,623 -0.004,624 -0.101,625 0.034,626 -0.01,627 0.038,628 0.009,629 0.016,630 0.026,631 -0.074,632 0.089,633 0.032,634 0.097,635 -0.054,636 0.088,637 -0.058,638 -0.002,639 -0.077,640 -0.05,641 -0.136,642 -0.063,643 0.943,644 2.391,645 0.679,646 27.429,647 0.986,648 1.122,649 4.656,650 21.674,651 0.666,652 3.466,653 3.761,654 4.043,655 4.317,656 4.522,657 4.605,658 4.736,659 4.868,660 4.913,661 4.905,662 7.023,663 0.613,664 397,665 3.466,666 4.99,667 5.838,668 6.708,669 7.574,670 8.453,671 9.328,672 10.212,673 11.093,674 11.981,675 3.5,678 1,683 1,687 2,688 8,690 1,693 4,695 16,712 1,713 1,714 57,716 16,717 2,718 31,720 60,721 24,722 14,723 6,724 6,730 4,731 7,732 1,736 1,740 4,743 6,745 14,746 10,764 29,765 2,766 1,767 4,768 1,773 2,777 0.5,778 1,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 1,824 1,827 28,833 8,835 1,837 1,838 1,846 1,847 1.8,852 1,854 13.667,855 10.26,856 6.278,857 3.872,858 2.888,859 1.378,860 0.992,861 6.482,862 10.525,863 3.689,864 4.259,865 4.839,866 5.42,867 5.884,868 6.136,869 6.447,870 6.787,871 6.776,872 6.92,873 1,874 42,875 10.381,877 4.327,878 7.409,879 20.777,881 17.494,883 1.909,884 53.444,888 329.591,889 125.515,890 19.91,891 39.149,892 11,895 125.515,896 379.739,897 19.91,898 8.825,899 21.476,900 75.381,902 48.598,903 13.915,904 317.82,905 39.149,906 329.591,907 145.425,908 11,909 39.149,911 235.422,912 105.169,915 50.211,916 95.213,917 39.149,919 329.591,920 30.91,921 164.664,924 329.591,925 41.309,926 87.331,927 16.786,928 50.149,929 329.591,930 30.91,931 164.664,933 0.567,934 0.333,935 0.189,936 0.1,937 20,938 8,939 0.133,940 8,941 2,942 1.211,943 4.098,944 238.006,945 0.211,946 19,947 134.606,951 19.658,952 9.232,953 4.687,954 2.666,955 14.124,956 16.493,958 3.361,961 4.661,963 16.786,964 525.164,965 39,975 56.225,976 63.963,977 0.239,978 0.576,979 0.814,980 0.92,981 0.938,982 0.938,983 4.913,984 1.416,985 5.796,986 4.337,987 4.443,988 4.945,989 1.235,990 6.586,991 4.354,992 6.084,993 1.224,994 7.334,995 2.974,996 3.892,997 4.677,998 0.325,999 7.445,1000 3.723,1001 7.374,1002 1.19,1003 8.975,1004 2.858,1005 6.004,1006 7.13,1007 0.938,1008 10.562,1009 5.847,1010 8.702,1011 0.915,1012 10.68,1013 2.569,1014 6.33,1015 7.781,1016 0.268,1017 12.3,1018 6.123,1019 10.069,1020 0.818,1021 12.428,1022 2.058,1023 7.856,1024 9.671,1025 0.732,1026 14.917,1027 7.655,1028 11.462,1029 0.561,1030 14.205,1031 1.697,1032 8.6,1033 10.76,1034 0.188,1035 17.018,1036 8.374,1037 12.876,1038 0.275,1039 16.004,1040 1.365,1041 9.884,1042 12.422,1043 0.57,1044 19.474,1045 9.658,1046 3.183,1047 -0.349,1048 17.82,1049 0.568,1050 10.832,1051 13.727,1052 0.125,1053 21.731,1054 10.596,1055 2.79,1056 10.959,1057 19.648,1058 -0.751,1059 12.017,1060 15.293,1061 0.438,1062 24.134,1063 11.781,1064 2.653,1065 9.014,1066 21.487,1067 4.525,1068 13.062,1069 16.702,1070 0.082,1071 26.461,1072 12.823,1073 2.368,1074 7.553,1075 23.334,1076 3.647,1077 14.211,1078 18.23,1079 0.334,1080 28.849,1081 13.972,1082 2.017,1083 7.438,1084 25.189,1085 3.292,1086 15.304,1087 19.69,1088 0.054,1089 31.209,1090 15.065,1091 1.779,1092 5.324,1093 27.05,1094 2.762,1095 16.443,1096 21.203,1097 0.252,1098 33.594,1099 16.204,1100 1.641,1101 5.065,1102 28.916,1103 2.558,1104 17.561,1105 22.687,1106 0.035,1107 35.969,1108 17.322,1109 10116,1110 15386,1111 21.266,1112 37.983,1113 45.808,1114 46.046,1115 46.764,1116 45.865,1117 45.662,1118 57.743,1119 3.32,1120 127.561,1121 43.458,1122 5.543,1123 5.341,1124 6.497,1125 5.236,1126 5.183,1127 7.525,1128 1.72,1129 18.173,1130 5.154,1131 10.108,1132 1.478,1133 1.485,1134 1.509,1135 1.48,1136 1.473,1137 1.863,1138 0.107,1139 4.115,1140 1.402,1141 4.154,1142 4.187,1143 4.108,1144 4.08,1145 4.989,1146 4.083,1147 3.906,1148 3.93,1149 3.991,1150 3.833,1151 4.959,1152 3.828,1153 3.805,1154 3.865,1155 3.702,1156 3.653,1157 4.568,1158 3.654,1159 3.603,1160 3.669,1161 3.481,1162 3.464,1163 4.381,1164 3.455,1165 3.504,1166 3.577,1167 3.38,1168 3.345,1169 4.225,1170 3.325,1171 3.294,1172 3.354,1173 3.244,1174 3.177,1175 4.14,1176 3.164,1177 3.071,1178 3.15,1179 3.148,1180 2.877,1181 3.975,1182 2.863,1183 3.032,1184 3.113,1185 2.883,1186 2.855,1187 3.804,1188 2.853,1189 0.148,1190 0.108,1191 0.217,1192 0.135,1193 0.103,1194 4.593,1195 0.146,1196 3.341,1197 0.028,1198 6.722,1199 0.354,1200 4.174,1201 0.102,1202 3.183,1203 4.525,1204 0.86,1205 10.959,1206 3.154,1207 2.029,1208 2.004,1209 2.14,1210 2.114,1211 1.477,1212 2.125,1213 1.869,1214 1.851,1215 1.975,1216 1.971,1217 1.242,1218 1.977,1219 1.732,1220 1.669,1221 1.94,1222 1.908,1223 1.111,1224 1.922,1225 1.537,1226 1.47,1227 1.822,1228 1.746,1229 1.028,1230 1.765,1231 1.52,1232 1.452,1233 1.743,1234 1.72,1235 0.989,1236 1.742,1237 1.458,1238 1.405,1239 1.648,1240 1.612,1241 0.778,1242 1.634,1243 1.174,1244 1.102,1245 1.47,1246 1.395,1247 0.643,1248 1.425,1249 0.997,1250 0.923,1251 1.352,1252 1.254,1253 0.544,1254 1.29,1255 4.143,1257 5.442,1258 2.398,1259 6.942,1260 4.595,1261 8.542,1262 6.605,1263 10.198,1265 2.274,1266 6.035,1271 8.763,1273 5.891,1275 0.624,1276 2.676,1280 34.96,1281 79.554,1282 191.63,1283 270.559,1284 305.72,1285 311.72,1286 311.72,1287 38.117,1288 7.637,1289 28.26,1290 28.26,1291 23,1292 12.513,1293 4.087,1294 3.17,1295 42.554,1296 115,1297 116,1298 0.172,1299 216.839,1300 369.14,1301 520.847,1302 23280,1303 1.8,1304 19.347,1305 0.691,1306 0.619,1307 19.847,1308 17.342,1309 13.742,1310 0.443,1311 0.349,1312 10.394,1313 13.124,1314 10.112,1315 8.365,1316 14.03,1317 10.824,1318 11.9,1319 0.283,1320 0.195,1321 12.309,1322 8.171,1323 10.073,1324 0.18,1325 0.108,1326 10.335,1327 6.046,1328 8.677,1329 0.117,1330 0.063,1331 8.946,1332 4.646,1333 6.828,1334 0.075,1335 0.037,1336 7.004,1337 3.343,1338 0.275,1339 87.562,1340 0.217,1341 27.064,1342 0.46,1343 146,1344 331.917,1345 169.198,1346 355.107,1347 489.02,1348 336,1349 171,1350 343.754,1351 188.744,1352 358.896,1353 526.23,1354 341,1355 7.886} {0 CHEMBL420874,1 1.463,2 13.31,3 3.027,4 9.163,5 116.51,6 7.176,7 0.636,8 4.099,9 4.227,10 3.659,11 3.636,12 5.122,13 3.614,14 4.656,15 4.835,16 3.988,17 4.052,18 5.591,19 4.004,20 4.884,21 5.105,22 3.903,23 4.152,24 5.715,25 4.04,26 4.933,27 5.187,28 3.815,29 4.115,30 5.705,31 3.977,32 4.912,33 5.192,34 3.774,35 4.037,36 5.648,37 3.904,38 4.758,39 4.998,40 3.801,41 4.011,42 5.559,43 3.906,44 4.829,45 5.081,46 3.752,47 4.021,48 5.631,49 3.887,50 4.81,51 5.104,52 3.502,53 3.868,54 5.534,55 3.702,56 0.059,57 0.837,58 11.696,59 4.788,60 10.442,61 6.566,62 0.248,63 1.359,64 22.256,65 8.007,66 19.735,67 11.106,68 0.295,69 1.547,70 29.29,71 10.987,72 26.397,73 15.447,74 0.241,75 1.561,76 31.701,77 11.827,78 29.707,79 16.965,80 0.349,81 1.517,82 32.093,83 11.083,84 30.523,85 16.242,86 0.215,87 1.392,88 26.08,89 9.35,90 21.825,91 13.582,92 0.271,93 1.492,94 28.157,95 10.035,96 26.098,97 14.742,98 0.324,99 1.336,100 29.283,101 9.754,102 30.433,103 14.64,105 45,106 0.24,107 0.577,108 0.767,109 0.856,110 0.865,111 0.865,112 3.407,113 0.925,114 -4.72,115 -4.64,116 -4.36,119 42.6,121 2,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 10,171 2,172 6,176 3,178 10,181 1,182 5,186 3,189 7,193 8,199 4,203 9,206 2,211 4,215 6,222 3,225 1,226 6,229 2,231 1,233 3,237 2,240 1,244 4,248 2,249 2,256 6,259 1407,260 20.378,261 20.378,262 20.378,263 20.378,264 20.378,265 17.939,266 22.004,267 12.266,268 20.83,269 16.352,270 16.352,271 16.352,272 16.352,273 16.352,274 12.77,275 24.673,276 5.896,277 17.093,278 4.292,279 2.239,280 1.079,281 0.532,282 0.481,283 0.481,284 4.123,288 1,289 1,290 871,291 2.828,294 227.667,295 183.769,298 123.274,302 2.114,303 13.633,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.5,315 386,316 4.569,317 3.205,318 6.566,319 4.1,320 3.119,321 4.518,322 1.151,323 10.433,324 3.062,325 4.129,326 3.098,327 6.096,328 3.705,329 2.77,330 3.732,331 0.8,332 8.885,333 2.59,334 3.908,335 2.887,336 5.654,337 3.664,338 2.729,339 3.446,341 7.898,342 2.551,343 3.724,344 2.777,345 5.339,346 3.489,347 2.503,348 2.828,350 6.964,351 2.462,352 3.425,353 2.378,354 5.136,355 3.048,356 2.085,357 2.717,359 6.074,360 2.01,361 3.25,362 2.128,363 4.862,364 2.827,365 1.896,366 2.586,368 5.538,369 1.753,370 3.02,371 1.792,372 4.514,373 2.72,374 1.767,375 2.131,377 4.654,378 1.679,379 2.865,380 1.621,381 4.122,382 2.476,383 1.485,384 1.944,386 3.427,387 1.47,388 2.722,389 1.319,390 3.635,391 2.246,392 1.27,393 1.815,395 3.138,396 1.237,397 2.5,398 1.106,399 3.375,400 2,401 1,402 1.5,404 2.226,405 1,406 2.402,407 1,408 3.307,409 1.933,410 0.978,411 1.359,413 2.136,414 0.931,415 2.147,416 0.983,417 3.247,418 1.805,419 0.849,420 1.03,422 1.99,423 0.808,424 2.118,425 0.809,426 3.234,427 1.649,428 0.689,429 0.927,431 1.665,432 0.659,433 1.887,434 0.756,435 3.109,436 1.518,437 0.618,438 0.823,440 1.372,441 0.556,442 1.604,443 0.618,444 3,445 1.445,446 0.524,447 0.56,449 1.262,450 0.478,451 13.833,452 0.477,453 0.496,454 0.017,455 37.5,456 1.293,457 18,458 0.621,459 19.5,460 0.672,461 23.297,462 0.803,463 30.567,464 0.566,465 25.02,466 0.863,467 7.457,468 0.257,469 6.892,470 0.238,473 0.275,479 0.861,480 1.338,481 0.799,482 1.106,483 0.709,484 0.971,485 1.367,486 1.02,487 1.025,488 0.958,489 1.035,490 0.953,491 1.157,492 1.046,493 1.122,494 1.124,495 0.965,496 1.128,497 0.977,498 1.074,499 1.001,500 1.103,501 0.886,502 1.073,503 0.985,504 0.849,505 0.885,506 0.86,507 0.903,508 0.866,509 1.016,510 1.083,511 0.979,512 1.005,513 0.923,514 0.993,515 0.778,516 1.108,517 1.088,518 1.171,519 0.852,520 1.163,521 0.933,522 0.897,523 0.997,524 0.95,525 1.036,526 0.972,527 4.5,528 0.105,529 2.667,530 1.014,531 1.024,532 0.614,533 0.419,534 0.222,535 0.147,536 0.096,537 13514,538 31004,539 2.237,540 46.3,542 17,543 1,544 2,545 1,547 2,548 2,550 1.713,551 2.203,552 3.686,553 -0.371,555 1,559 79.016,560 1.463,561 3.516,562 4.676,563 5.222,564 5.273,565 5.273,566 3.142,567 4.28,568 4.828,569 3.877,570 1573.88,571 8.376,572 22532.7,574 1,576 1,577 310.764,578 0.85,579 4.832,580 0.136,581 0.005,582 0.059,583 0.026,584 0.029,585 0.018,586 0.012,587 0.007,588 0.006,589 0.004,590 0.303,591 0.33,592 0.88,594 150.885,595 0.077,596 -0.155,597 0.089,598 -0.073,599 0.152,600 -0.005,601 -0.117,602 0.097,603 -0.073,604 0.027,605 -0.06,606 -0.011,607 -0.072,608 -0.059,609 -0.157,610 -0.115,611 -0.036,612 -0.141,613 -0.031,614 -0.153,615 -0.021,616 -0.093,617 0.025,618 -0.064,619 0.029,620 0.068,621 0.125,622 0.116,623 0.051,624 0.127,625 -0.084,626 -0.091,627 -0.01,628 -0.013,629 -0.056,630 -0.007,631 0.056,632 -0.11,633 -0.12,634 -0.198,635 -0.016,636 -0.184,637 0.022,638 0.013,639 0.018,640 0.01,641 -0.045,642 0.016,643 1.001,644 2.621,645 0.862,646 32.537,647 0.994,648 1.127,649 3.492,650 12.195,651 0.668,652 3.526,653 3.829,654 4.111,655 4.369,656 4.5,657 4.595,658 4.754,659 4.92,660 4.977,661 5.03,662 7.806,663 0.631,664 387.53,665 3.526,666 5.056,667 5.905,668 6.77,669 7.632,670 8.502,671 9.371,672 10.244,673 11.117,674 11.994,675 9.3,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 54,716 21,717 2,718 33,720 58,721 23,722 16,723 4,724 8,730 5,731 6,740 2,743 3,745 16,746 7,761 1,764 25,765 4,766 1,767 6,773 5,777 0.8,778 1,788 1,789 1,792 3,793 2,796 1,815 1,818 1,819 4,827 29,833 6,835 1,837 1,838 1,844 1,847 1.9,851 1,854 13.167,855 9.467,856 6.333,857 3.289,858 3.614,859 1.45,860 1.029,861 5.33,862 11.65,863 3.795,864 4.382,865 4.982,866 5.57,867 5.997,868 6.331,869 6.787,870 7.224,871 7.429,872 7.661,873 0.889,874 39,875 10.704,877 4.534,878 7.454,879 21.152,881 17.813,883 1.954,884 56.667,887 1,888 282.506,889 131.918,890 55.135,892 11,895 131.918,896 293.506,897 55.135,899 15.979,900 84.857,901 85.105,902 33.51,903 13.915,904 247.193,906 282.506,907 187.053,908 11,911 235.422,912 47.084,913 11,915 55.025,916 98.702,917 33.326,919 282.506,920 66.135,921 131.918,924 282.506,925 29.824,926 107.118,927 16.786,928 44.326,929 282.506,930 66.135,931 131.918,933 0.574,934 0.334,935 0.182,936 0.088,937 23,938 8,939 0.121,940 7,941 1,942 1.08,943 4.392,944 251.467,945 0.08,946 25,947 132.881,951 18.408,952 8.397,953 4.212,954 2.439,955 47.45,956 22.432,957 7.811,958 3.4,961 3.677,962 1.936,963 16.786,964 480.559,965 43.5,975 53.672,976 60.853,977 0.254,978 0.611,979 0.813,980 0.907,981 0.916,982 0.916,983 5.012,984 1.485,985 5.855,986 4.654,987 4.511,988 5.069,989 1.528,990 6.621,991 4.427,992 6.186,993 1.27,994 7.376,995 3.427,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.769,1001 7.467,1002 1,1003 8.995,1004 3.138,1005 6.057,1006 7.247,1007 1.603,1008 10.497,1009 5.895,1010 8.788,1011 0.978,1012 10.676,1013 2.226,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.149,1019 10.146,1020 0.849,1021 12.399,1022 2.136,1023 7.881,1024 9.763,1025 1.778,1026 14.738,1027 7.654,1028 11.531,1029 0.689,1030 14.15,1031 1.99,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.332,1037 12.937,1038 0.618,1039 15.923,1040 1.665,1041 9.868,1042 12.486,1043 1.991,1044 19.177,1045 9.586,1046 3.119,1047 0.524,1048 17.712,1049 1.372,1050 10.78,1051 13.766,1052 0.125,1053 21.377,1054 10.474,1055 2.77,1056 10.433,1057 19.513,1058 1.262,1059 11.951,1060 15.334,1061 2.225,1062 23.721,1063 11.625,1064 2.729,1065 8.885,1066 21.325,1067 4.518,1068 12.962,1069 16.729,1070 0.082,1071 25.992,1072 12.618,1073 2.503,1074 7.898,1075 23.146,1076 3.732,1077 14.091,1078 18.253,1079 2.473,1080 28.322,1081 13.73,1082 2.085,1083 6.964,1084 24.974,1085 3.446,1086 15.152,1087 19.703,1088 0.054,1089 30.626,1090 14.777,1091 1.896,1092 6.074,1093 26.808,1094 2.828,1095 16.267,1096 21.211,1097 2.73,1098 32.955,1099 15.878,1100 1.767,1101 5.538,1102 28.647,1103 2.717,1104 17.355,1105 22.688,1106 0.035,1107 35.275,1108 16.953,1109 12248,1110 18708,1111 23.345,1112 36.097,1113 49.414,1114 49.264,1115 49.034,1116 49.215,1117 49.243,1118 64.631,1119 3.902,1120 136.994,1121 47.141,1122 5.521,1123 5.205,1124 6.368,1125 5.176,1126 5.119,1127 7.518,1128 2.302,1129 17.106,1130 5.062,1132 1.497,1133 1.493,1134 1.486,1135 1.491,1136 1.492,1137 1.959,1138 0.118,1139 4.151,1140 1.429,1141 4.154,1142 4.192,1143 4.114,1144 4.061,1145 5.135,1146 4.069,1147 3.93,1148 3.967,1149 3.849,1150 3.85,1151 4.928,1152 3.845,1153 3.845,1154 3.911,1155 3.791,1156 3.676,1157 4.791,1158 3.682,1159 3.806,1160 3.87,1161 3.714,1162 3.572,1163 4.54,1164 3.612,1165 3.426,1166 3.484,1167 3.306,1168 3.285,1169 4.262,1170 3.284,1171 3.245,1172 3.308,1173 3.126,1174 3.044,1175 4.131,1176 3.052,1177 3.154,1178 3.226,1179 2.993,1180 2.973,1181 3.817,1182 2.969,1183 2.896,1184 2.971,1185 2.762,1186 2.761,1187 3.674,1188 2.755,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.095,1194 4.569,1195 0.137,1196 3.205,1197 0.035,1198 6.566,1199 0.316,1200 4.1,1201 0.093,1202 3.119,1203 4.518,1204 1.151,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.269,1212 2.049,1213 1.905,1214 1.877,1215 2.035,1216 1.996,1217 1.195,1218 2.01,1219 1.681,1220 1.62,1221 1.877,1222 1.878,1223 1.121,1224 1.883,1225 1.567,1226 1.517,1227 1.81,1228 1.759,1229 1.104,1230 1.776,1231 1.436,1232 1.362,1233 1.636,1234 1.692,1235 0.871,1236 1.675,1237 1.373,1238 1.308,1239 1.514,1240 1.59,1241 0.6,1242 1.581,1243 1.143,1244 1.082,1245 1.424,1246 1.442,1247 0.584,1248 1.387,1249 1.078,1250 0.982,1251 1.344,1252 1.361,1253 0.496,1254 1.379,1255 4.205,1257 5.509,1258 3.434,1259 6.991,1260 5.687,1261 8.553,1262 7.678,1263 10.161,1271 6.007,1273 6.121,1275 0.332,1276 2.512,1280 34.09,1281 79.016,1282 189.85,1283 252.499,1284 282.009,1285 284.764,1286 284.764,1287 33.235,1288 8.035,1289 58.97,1290 58.97,1291 27,1292 12.533,1293 4.459,1294 3.524,1295 39.913,1296 137,1297 134,1298 0.139,1299 206.048,1300 341.09,1301 494.518,1302 41014,1304 19.468,1305 0.671,1306 0.564,1307 19.468,1308 16.368,1309 14.348,1310 0.435,1311 0.308,1312 10.038,1313 13.81,1314 9.853,1315 8.119,1316 14.348,1317 10.179,1318 12.583,1319 0.28,1320 0.17,1321 12.583,1322 7.671,1323 10.972,1324 0.183,1325 0.095,1326 10.972,1327 5.723,1328 9.195,1329 0.118,1330 0.052,1331 9.195,1332 4.071,1333 6.794,1334 0.076,1335 0.029,1336 6.794,1337 2.596,1338 0.226,1339 89.64,1340 0.207,1341 28.266,1342 0.361,1343 156,1344 392.649,1345 168.646,1346 383.509,1347 539.01,1348 364,1349 183,1350 407.909,1351 197.34,1352 414.695,1353 601.89,1354 390,1355 7.638} {0 CHEMBL420965,1 1.373,2 14.067,3 2.951,4 8.706,5 123.174,6 6.907,7 0.618,8 4.158,9 4.3,10 3.682,11 3.695,12 5.152,13 3.661,14 4.716,15 4.914,16 4.003,17 4.125,18 5.604,19 4.057,20 4.971,21 5.214,22 3.921,23 4.243,24 5.733,25 4.106,26 5.054,27 5.337,28 3.847,29 4.203,30 5.775,31 4.043,32 4.99,33 5.282,34 3.783,35 4.117,36 5.682,37 3.959,38 4.885,39 5.16,40 3.803,41 4.082,42 5.605,43 3.95,44 4.876,45 5.133,46 3.791,47 4.088,48 5.652,49 3.948,50 4.9,51 5.193,52 3.593,53 4.006,54 5.59,55 3.831,56 0.086,57 0.92,58 13.163,59 5.041,60 11.746,61 7.316,62 0.245,63 1.496,64 24.299,65 8.51,66 20.041,67 12.626,68 0.208,69 1.735,70 32.143,71 12.108,72 22.922,73 17.937,74 0.295,75 1.78,76 36.157,77 12.765,78 31.346,79 19.323,80 0.313,81 1.652,82 34.17,83 11.903,84 28.193,85 18.068,86 0.24,87 1.538,88 30.337,89 10.516,90 22.601,91 15.987,92 0.287,93 1.563,94 29.718,95 10.613,96 26.091,97 15.875,98 0.252,99 1.492,100 31.22,101 10.717,102 26.86,103 16.39,105 46,106 0.222,107 0.567,108 0.762,109 0.862,110 0.87,111 0.87,112 3.44,113 0.95,114 -4.93,115 -4.84,116 -4.54,119 41.4,121 2,122 1,125 5,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 5,178 10,182 3,186 6,189 7,193 6,195 1,197 2,199 5,203 6,206 2,208 1,211 6,215 4,220 1,222 6,225 1,226 5,229 2,231 3,233 5,237 2,242 1,244 4,248 2,249 3,253 1,254 1,256 5,259 1572,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 24.36,267 12.752,268 21.473,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.27,275 28.18,276 6.124,277 17.479,278 4.485,279 2.356,280 1.151,281 0.53,282 0.483,283 0.483,284 4.155,288 1,289 1,290 949,291 3,294 240.281,295 195.52,298 130.287,302 2.271,303 11.535,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 422,316 4.569,317 3.202,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 2.969,327 6.096,328 3.713,329 2.768,330 3.732,331 0.657,332 8.885,333 2.631,334 3.899,335 2.868,336 5.647,337 3.671,338 2.723,339 3.444,341 7.88,342 2.571,343 3.737,344 2.754,345 5.34,346 3.509,347 2.517,348 2.828,350 6.965,351 2.498,352 3.426,353 2.254,354 5.139,355 3.071,356 2.1,357 2.72,359 6.088,360 2.036,361 3.25,362 2.089,363 4.878,364 2.871,365 1.915,366 2.586,368 5.578,369 1.822,370 3.024,371 1.792,372 4.514,373 2.723,374 1.768,375 2.127,377 4.654,378 1.684,379 2.907,380 1.672,381 4.122,382 2.524,383 1.538,384 1.991,386 3.429,387 1.516,388 2.725,389 1.327,390 3.676,391 2.251,392 1.274,393 1.822,395 3.223,396 1.244,397 2.5,398 1.25,399 3.397,400 2.03,401 1.08,402 1.5,404 2.385,405 1.023,406 2.404,407 1.014,408 3.333,409 2,410 1,411 1.363,413 2.172,414 1,415 2.202,416 1,417 3.247,418 1.904,419 0.947,420 1.165,422 2.136,423 0.904,424 2.118,425 0.857,426 3.24,427 1.73,428 0.767,429 0.978,431 1.811,432 0.737,433 2.102,434 0.756,435 3.227,436 1.643,437 0.678,438 0.927,440 1.642,441 0.653,442 1.761,443 0.618,444 3.033,445 1.518,446 0.618,447 0.731,449 1.372,450 0.556,451 14.4,452 0.48,453 0.496,454 0.017,455 38,456 1.267,457 18,458 0.6,459 20,460 0.667,461 25.196,462 0.84,463 31.8,464 0.548,465 25.153,466 0.838,467 7.431,468 0.248,469 7.417,470 0.247,473 0.264,479 0.937,480 1.354,481 0.854,482 1.09,483 0.704,484 0.985,485 1.252,486 1.04,487 1.044,488 0.975,489 0.894,490 0.986,491 0.886,492 1.137,493 1.083,494 1.175,495 0.74,496 1.154,497 0.869,498 1,499 0.975,500 1.023,501 0.797,502 1.012,503 0.823,504 0.909,505 0.902,506 0.932,507 0.817,508 0.926,509 0.98,510 0.955,511 0.908,512 0.91,513 0.81,514 0.903,515 0.884,516 1.069,517 1.073,518 1.132,519 0.965,520 1.124,521 0.982,522 0.999,523 1.024,524 1.024,525 1.075,526 1.028,527 4.5,528 0.092,529 2.667,530 1.139,531 0.864,532 0.694,533 0.408,534 0.201,535 0.213,536 0.08,537 15153,538 32829,539 2.228,540 48.3,542 18,543 1,544 2,545 2,547 4,548 1,550 1.721,551 2.195,552 3.755,553 0.177,555 1,559 79.608,560 1.373,561 3.502,562 4.707,563 5.328,564 5.375,565 5.375,566 3.248,567 4.307,568 4.877,569 3.962,570 1723.51,571 8.469,572 25711.2,574 1,577 339.763,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.028,584 0.024,585 0.02,586 0.011,587 0.006,588 0.008,589 0.003,590 0.296,591 0.17,592 0.88,594 158.685,595 0.101,596 -0.136,597 0.082,598 -0.039,599 0.216,600 0.01,601 -0.089,602 0.108,603 -0.077,604 0.023,605 -0.005,606 -0.017,607 -0.074,608 -0.14,609 -0.128,610 -0.152,611 0.02,612 -0.147,613 0.02,614 -0.066,615 0.006,616 -0.036,617 0.059,618 -0.02,619 0.093,620 0.012,621 0.087,622 0.046,623 0.069,624 0.063,625 -0.038,626 0.004,627 0.076,628 0.075,629 0.033,630 0.086,631 0.079,632 -0.074,633 -0.098,634 -0.142,635 -0.046,636 -0.139,637 -0.06,638 -0.078,639 -0.035,640 -0.05,641 -0.122,642 -0.042,643 0.586,644 1.133,645 0.833,646 36.12,647 0.988,648 1.13,649 3.703,650 13.715,651 0.662,652 3.555,653 3.85,654 4.127,655 4.382,656 4.5,657 4.595,658 4.745,659 4.905,660 4.977,661 5.037,662 8.252,663 0.619,664 400.58,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.379,672 10.25,673 11.12,674 11.995,675 10.3,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 58,716 21,717 2,718 34,720 62,721 24,722 16,723 4,724 8,730 5,731 6,740 1,741 1,743 2,745 16,746 8,747 1,761 1,764 28,765 4,766 2,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,827 30,833 7,834 1,837 1,838 1,844 1,854 13.667,855 10.05,856 6.583,857 3.566,858 3.584,859 1.443,860 1.027,861 5.822,862 11.669,863 3.818,864 4.394,865 4.989,866 5.574,867 5.994,868 6.327,869 6.779,870 7.214,871 7.418,872 7.657,873 1,874 40,875 11.076,877 4.668,878 7.406,879 22.066,881 18.653,883 1.906,884 57.167,887 1,888 306.049,889 131.537,890 73.146,895 131.537,896 306.049,897 73.146,899 15.598,900 102.868,901 74.105,902 33.51,903 13.915,904 270.735,906 306.049,907 204.683,911 247.193,912 58.856,915 72.654,916 98.702,917 33.326,919 306.049,920 73.146,921 131.537,924 306.049,925 29.443,926 107.118,927 34.796,928 33.326,929 306.049,930 73.146,931 131.537,933 0.571,934 0.332,935 0.181,936 0.087,937 23,938 8,939 0.129,940 8,941 1,942 1.08,943 4.512,944 259.91,945 0.08,946 25,947 139.207,951 19.347,952 9.028,953 4.606,954 2.479,955 54.461,956 22.754,957 7.832,958 3.419,961 3.835,962 1.948,963 34.796,964 510.732,965 44.5,975 57.33,976 65.557,977 0.234,978 0.598,979 0.804,980 0.909,981 0.918,982 0.918,983 5.032,984 1.538,985 5.872,986 4.654,987 4.533,988 5.081,989 1.038,990 6.632,991 4.464,992 6.2,993 1.274,994 7.388,995 3.429,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.797,1001 7.478,1002 1.08,1003 9.004,1004 3.223,1005 6.071,1006 7.251,1007 0.607,1008 10.5,1009 5.939,1010 8.796,1011 1,1012 10.682,1013 2.385,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.186,1019 10.152,1020 0.947,1021 12.403,1022 2.172,1023 7.889,1024 9.764,1025 0.359,1026 14.738,1027 7.701,1028 11.535,1029 0.767,1030 14.153,1031 2.136,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.375,1037 12.939,1038 0.678,1039 15.924,1040 1.811,1041 9.871,1042 12.487,1043 0.214,1044 19.176,1045 9.634,1046 3.119,1047 0.618,1048 17.713,1049 1.642,1050 10.779,1051 13.766,1052 0.125,1053 21.376,1054 10.518,1055 2.768,1056 10.433,1057 19.514,1058 1.372,1059 11.951,1060 15.334,1061 0.129,1062 23.72,1063 11.67,1064 2.723,1065 8.885,1066 21.325,1067 4.518,1068 12.961,1069 16.729,1070 0.082,1071 25.991,1072 12.66,1073 2.517,1074 7.88,1075 23.146,1076 3.732,1077 14.09,1078 18.253,1079 0.079,1080 28.321,1081 13.772,1082 2.1,1083 6.965,1084 24.973,1085 3.444,1086 15.15,1087 19.703,1088 0.054,1089 30.625,1090 14.815,1091 1.915,1092 6.088,1093 26.807,1094 2.828,1095 16.265,1096 21.211,1097 0.048,1098 32.954,1099 15.914,1100 1.768,1101 5.578,1102 28.646,1103 2.72,1104 17.352,1105 22.688,1106 0.035,1107 35.274,1108 16.986,1109 13760,1110 20441,1111 24.038,1112 38.41,1113 50.708,1114 50.312,1115 50.317,1116 50.308,1117 50.345,1118 65.716,1119 2.915,1120 139.103,1121 48.571,1122 5.527,1123 5.202,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1132 1.491,1133 1.48,1134 1.48,1135 1.48,1136 1.481,1137 1.933,1138 0.086,1139 4.091,1140 1.429,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 5.135,1146 4.07,1147 3.937,1148 3.988,1149 3.85,1150 3.857,1151 4.927,1152 3.85,1153 3.864,1154 3.92,1155 3.793,1156 3.726,1157 4.759,1158 3.724,1159 3.818,1160 3.887,1161 3.741,1162 3.577,1163 4.385,1164 3.618,1165 3.47,1166 3.548,1167 3.336,1168 3.308,1169 4.254,1170 3.308,1171 3.345,1172 3.42,1173 3.217,1174 3.155,1175 4.118,1176 3.159,1177 3.193,1178 3.277,1179 3.045,1180 3,1181 3.839,1182 3.001,1183 2.977,1184 3.062,1185 2.809,1186 2.818,1187 3.674,1188 2.804,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.569,1195 0.133,1196 3.202,1197 0.024,1198 6.566,1199 0.307,1200 4.1,1201 0.09,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.048,1210 2.052,1211 1.32,1212 2.049,1213 1.913,1214 1.881,1215 2.039,1216 2.01,1217 1.268,1218 2.025,1219 1.693,1220 1.633,1221 1.911,1222 1.882,1223 1.142,1224 1.89,1225 1.669,1226 1.609,1227 1.876,1228 1.84,1229 1.114,1230 1.864,1231 1.441,1232 1.366,1233 1.656,1234 1.693,1235 0.898,1236 1.679,1237 1.377,1238 1.311,1239 1.547,1240 1.596,1241 0.709,1242 1.59,1243 1.263,1244 1.183,1245 1.506,1246 1.501,1247 0.585,1248 1.519,1249 1.078,1250 0.982,1251 1.358,1252 1.442,1253 0.515,1254 1.379,1255 4.234,1257 5.533,1258 3.434,1259 7.009,1260 5.687,1261 8.567,1262 7.678,1263 10.17,1271 7.909,1272 3.633,1275 0.747,1276 2.608,1280 35.923,1281 79.608,1282 203.106,1283 273.008,1284 309.008,1285 311.763,1286 311.763,1287 34.483,1288 8.085,1289 61.77,1290 61.77,1291 27,1292 12.536,1293 4.459,1294 3.524,1295 41.965,1296 150,1297 148,1298 0.133,1299 218.439,1300 360.6,1301 524.751,1302 44683,1304 20.175,1305 0.673,1306 0.572,1307 20.175,1308 17.167,1309 14.848,1310 0.437,1311 0.317,1312 10.642,1313 14.368,1314 10.432,1315 8.635,1316 14.848,1317 10.77,1318 12.936,1319 0.281,1320 0.179,1321 12.936,1322 8.235,1323 11.214,1324 0.184,1325 0.101,1326 11.214,1327 6.14,1328 9.419,1329 0.119,1330 0.056,1331 9.419,1332 4.446,1333 6.865,1334 0.077,1335 0.032,1336 6.865,1337 2.87,1338 0.218,1339 92.232,1340 0.204,1341 29.238,1342 0.342,1343 160,1344 367.246,1345 170.491,1346 367.153,1347 519.21,1348 348,1349 187,1350 396.49,1351 199.295,1352 406.074,1353 587.23,1354 382,1355 9.16} {0 CHEMBL421064,1 1.49,2 13.107,3 2.643,4 6.984,5 111.235,6 7.01,7 0.516,8 4.084,9 4.215,10 3.603,11 3.596,12 5.122,13 3.573,14 4.635,15 4.82,16 3.935,17 3.992,18 5.608,19 3.944,20 4.898,21 5.122,22 3.974,23 4.136,24 5.849,25 4.047,26 4.92,27 5.143,28 3.868,29 4.127,30 5.835,31 4.008,32 4.969,33 5.231,34 3.788,35 4.022,36 5.889,37 3.891,38 4.814,39 5.08,40 3.629,41 3.861,42 5.71,43 3.744,44 4.583,45 4.818,46 3.576,47 3.756,48 5.573,49 3.654,50 4.573,51 4.814,52 3.553,53 3.699,54 5.592,55 3.599,56 0.042,57 0.807,58 12.07,59 4.772,60 9.021,61 6.653,62 0.233,63 1.294,64 22.502,65 7.798,66 21.209,67 11.204,68 0.481,69 1.543,70 30.611,71 10.467,72 43.167,73 15.046,74 0.232,75 1.529,76 30.93,77 11.509,78 36.397,79 16.229,80 0.461,81 1.478,82 34.213,83 11.518,84 56.028,85 16.589,86 0.444,87 1.267,88 29.652,89 9.191,90 44.265,91 13.39,92 0.24,93 1.073,94 22.438,95 7.787,96 32.883,97 11.182,98 0.262,99 1.026,100 22.5,101 7.834,102 38.973,103 11.091,104 7,105 42,106 0.246,107 0.572,108 0.713,109 0.809,110 0.842,111 0.842,112 3.374,113 0.944,114 -2.82,115 -2.83,116 -2.74,119 40.7,121 1,125 6,140 8,141 2,142 2,149 1,150 1,156 1,161 1,162 1,163 1,169 8,171 1,172 4,176 4,178 8,180 1,181 3,182 4,186 4,189 6,191 1,193 2,197 1,199 2,201 1,202 1,203 7,206 1,207 1,208 1,210 1,211 1,213 1,214 1,215 6,220 1,224 1,226 5,228 1,229 1,231 1,235 1,237 8,240 2,249 5,259 1234,260 19.438,261 19.438,262 19.438,263 19.438,264 19.438,265 17.452,266 20.41,267 11.694,268 19.829,269 15.279,270 15.279,271 15.279,272 15.279,273 15.279,274 12.227,275 24.677,276 5.472,277 15.896,278 4.265,279 2.3,280 1.444,281 0.866,282 0.667,283 0.667,284 4.075,288 1,289 1,290 805,291 3.24,294 73.527,295 278.933,298 127.929,302 2.043,303 21.8,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 60,315 367,316 4.55,317 3.741,318 6.546,319 4.076,320 3.092,321 4.504,322 2.055,323 10.36,324 3.043,325 4.097,326 3.183,327 6.165,328 3.852,329 2.909,330 3.551,331 0.933,332 9.109,333 2.742,334 3.926,335 3.097,336 5.986,337 3.65,338 2.692,339 3.173,340 0.8,341 8.452,342 2.575,343 3.693,344 2.741,345 5.315,346 3.305,347 2.361,348 3.048,349 0.51,350 6.855,351 2.229,352 3.345,353 2.323,354 5.096,355 2.948,356 1.977,357 2.672,359 5.915,360 1.91,361 3.217,362 2.156,363 4.54,364 2.877,365 1.898,366 2.391,368 4.755,369 1.851,370 2.783,371 1.879,372 4.174,373 2.458,374 1.482,375 1.859,377 3.704,378 1.437,379 2.734,380 1.476,381 4.103,382 2.301,383 1.32,384 1.792,386 3.456,387 1.294,388 2.5,389 1.379,390 3.494,391 2.06,392 1.108,393 1.5,395 2.632,396 1.05,397 2.362,398 1.225,399 3.414,400 2.004,401 1.045,402 1.332,404 2.275,405 1,406 2.31,407 1.146,408 3.337,409 2,410 1,411 1.258,413 2.136,414 0.998,415 2.003,416 1.132,417 3.247,418 1.967,419 1,420 1,422 2.111,423 0.965,424 2,425 1,426 3.093,427 1.643,428 0.69,429 0.882,431 1.436,432 0.653,433 1.718,434 0.74,435 2.982,436 1.342,437 0.407,438 0.499,440 0.913,441 0.374,442 0.959,443 0.213,444 2.49,445 0.648,446 -0.304,447 -0.348,449 -0.586,450 -0.287,451 13.267,452 0.474,453 0.516,454 0.018,455 35,456 1.25,457 16.5,458 0.589,459 18.5,460 0.661,461 22.636,462 0.808,463 30.533,464 0.565,465 25.212,466 0.9,467 7.106,468 0.254,469 6.636,470 0.237,471 0.055,473 0.286,479 0.889,480 1.374,481 0.851,482 1.114,483 0.716,484 0.989,485 1.105,486 1.144,487 0.991,488 1.003,489 0.704,490 0.973,491 1.036,492 0.905,493 1.03,494 0.938,495 0.928,496 0.969,497 1.064,498 1.213,499 1.128,500 1.264,501 1.23,502 1.221,503 1.12,504 0.982,505 0.973,506 1.017,507 1.182,508 0.994,509 1.468,510 0.851,511 1.031,512 0.831,513 1.192,514 0.871,515 1.074,516 1.078,517 1.001,518 1.083,519 1.128,520 1.042,521 1.11,522 1.041,523 0.928,524 1.067,525 1.409,526 0.999,527 4.5,528 0.056,529 3.333,530 1.417,531 0.987,532 0.854,533 0.499,534 0.305,535 0.259,536 0.183,537 11432,538 26320,539 2.137,540 48.1,542 20,543 1,545 3,547 2,550 1.704,551 2.049,552 3.66,553 0.882,554 1,555 1,559 80.445,560 1.49,561 3.455,562 4.311,563 4.889,564 5.088,565 5.088,566 3.115,567 4.307,568 4.779,569 3.83,570 1447.57,571 8.275,572 20050.1,574 1,576 1,577 310.764,578 1.198,579 4.76,580 0.145,581 0.003,582 0.079,583 0.034,584 0.027,585 0.027,586 0.018,587 0.011,588 0.01,589 0.008,590 0.362,591 0.33,592 1,593 0.787,594 143.767,595 -0.05,596 -0.142,597 0.056,598 -0.035,599 -0.058,600 0.018,601 -0.068,602 0.002,603 -0.033,604 0.003,605 -0.023,606 -0.004,607 0.05,608 0.138,609 -0.048,610 0.047,611 0.018,613 -0.083,614 -0.225,615 -0.167,616 -0.241,617 -0.117,618 -0.22,619 0.071,620 -0.078,621 0.04,622 -0.049,623 0.006,624 -0.02,625 -0.12,626 0.07,627 0.004,628 0.107,629 -0.07,630 0.077,631 0.011,632 -0.096,633 -0.015,634 -0.093,635 0.059,636 -0.062,637 0.09,638 -0.103,639 0.075,640 -0.079,641 0.079,642 -0.019,643 1.635,644 5.557,645 0.75,646 29.439,647 0.996,648 1.129,649 1.591,650 2.531,651 0.654,652 3.466,653 3.761,654 4.043,655 4.277,656 4.477,657 4.511,658 4.625,659 4.663,660 4.663,661 4.718,662 7.55,663 0.617,664 378.52,665 3.466,666 4.99,667 5.838,668 6.701,669 7.564,670 8.432,671 9.301,672 10.172,673 11.043,674 11.915,675 7.4,676 1,681 1,682 1,683 1,687 2,688 9,690 1,693 3,695 16,709 1,712 1,714 54,716 17,717 2,718 31,720 57,721 22,722 14,723 4,724 8,730 4,731 5,736 1,743 1,745 15,746 7,750 1,755 1,759 1,761 1,764 26,765 5,766 3,767 6,773 4,777 0.75,778 2,788 1,792 1,793 3,796 1,806 1,812 1,819 3,827 28,828 1,833 7,835 1,838 2,847 3.7,850 1,852 1,854 13.667,855 9.317,856 6.278,857 3.243,858 2.866,859 1.376,860 1.007,861 5.956,862 10.486,863 3.714,864 4.273,865 4.847,866 5.4,867 5.878,868 6.083,869 6.433,870 6.738,871 6.662,872 6.765,873 0.889,874 42,875 10.381,877 4.378,878 7.625,879 20.186,881 16.692,883 2.125,884 59.5,887 1,888 270.735,889 123.12,890 55.931,892 36.145,895 123.12,896 306.88,897 55.931,899 53.677,900 84.857,901 29.85,902 44.668,903 13.915,904 258.964,906 270.735,907 179.052,908 36.145,911 247.193,912 59.687,915 70.462,916 108.589,919 270.735,920 92.076,921 123.12,924 270.735,925 38.263,926 91.106,927 16.786,928 69.042,929 270.735,930 92.076,931 123.12,933 0.57,934 0.338,935 0.184,936 0.1,937 20,938 8,939 0.105,940 6,941 1,942 1.095,943 4.156,944 234.396,945 0.095,946 21,947 126.606,951 18.999,952 8.778,953 4.406,954 2.158,955 75.291,956 18.162,958 3.243,961 3.09,963 49.683,964 485.932,965 40,970 12.557,974 0.032,975 53.781,976 60.979,977 0.259,978 0.6,979 0.749,980 0.85,981 0.884,982 0.884,983 4.934,984 1.32,985 5.796,986 3.704,987 4.443,988 4.959,989 2.425,990 6.578,991 4.367,992 6.107,993 1.108,994 7.334,995 3.456,996 3.892,997 4.663,998 1.738,999 7.424,1000 3.78,1001 7.394,1002 1.045,1003 8.973,1004 2.632,1005 6.004,1006 7.126,1007 3.327,1008 10.509,1009 5.852,1010 8.72,1011 1,1012 10.675,1013 2.275,1014 6.33,1015 7.745,1016 3.296,1017 12.213,1018 6.144,1019 10.083,1020 1,1021 12.416,1022 2.136,1023 7.854,1024 9.645,1025 4.559,1026 14.782,1027 7.635,1028 11.471,1029 0.69,1030 14.184,1031 2.111,1032 8.585,1033 10.707,1034 4.854,1035 16.83,1036 8.338,1037 12.879,1038 0.407,1039 15.972,1040 1.436,1041 9.862,1042 12.375,1043 5.901,1044 19.224,1045 9.587,1046 3.092,1047 -0.304,1048 17.773,1049 0.913,1050 10.787,1051 13.663,1052 6.37,1053 21.42,1054 10.488,1055 2.909,1056 10.36,1057 19.585,1058 -0.586,1059 11.958,1060 15.231,1061 7.287,1062 23.755,1063 11.636,1064 2.692,1065 9.109,1066 21.405,1067 4.504,1068 12.976,1069 16.631,1070 7.856,1071 26.015,1072 12.634,1073 2.361,1074 8.452,1075 23.231,1076 3.551,1077 14.104,1078 18.159,1079 8.696,1080 28.332,1081 13.742,1082 1.977,1083 6.855,1084 25.063,1085 3.173,1086 15.167,1087 19.613,1088 9.324,1089 30.623,1090 14.786,1091 1.898,1092 5.915,1093 26.899,1094 3.048,1095 16.279,1096 21.124,1097 10.117,1098 32.939,1099 15.881,1100 1.482,1101 4.755,1102 28.739,1103 2.672,1104 17.364,1105 22.604,1106 10.781,1107 35.245,1108 16.95,1109 10704,1110 16356,1111 21.266,1112 35.307,1113 46.348,1114 46.956,1115 47.114,1116 45.962,1117 45.966,1118 58.921,1119 8.597,1120 128.214,1121 44.237,1122 5.55,1123 5.741,1124 6.348,1125 5.159,1126 5.092,1127 7.504,1128 3.661,1129 17.015,1130 5.043,1131 9.922,1132 1.495,1133 1.515,1134 1.52,1135 1.483,1136 1.483,1137 1.901,1138 0.277,1139 4.136,1140 1.427,1141 4.132,1142 4.164,1143 4.09,1144 4.045,1145 7.427,1146 4.052,1147 3.952,1148 4.001,1149 3.878,1150 3.849,1151 5.037,1152 3.849,1153 3.756,1154 3.803,1155 3.671,1156 3.577,1157 4.957,1158 3.592,1159 3.572,1160 3.633,1161 3.459,1162 3.424,1163 4.765,1164 3.422,1165 3.442,1166 3.501,1167 3.307,1168 3.205,1169 4.562,1170 3.225,1171 3.277,1172 3.339,1173 3.166,1174 3.067,1175 4.264,1176 3.08,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.989,1182 2.91,1183 2.962,1184 3.035,1185 2.833,1186 2.796,1187 3.753,1188 2.795,1189 0.147,1190 0.121,1191 0.211,1192 0.131,1193 0.1,1194 4.55,1195 0.145,1196 3.741,1197 0.066,1198 6.546,1199 0.334,1200 4.076,1201 0.098,1202 3.092,1203 4.504,1204 2.055,1205 10.36,1206 3.043,1207 1.937,1208 1.918,1209 2.05,1210 2.064,1211 1.297,1212 2.061,1213 1.914,1214 1.877,1215 2.019,1216 2.021,1217 1.224,1218 2.02,1219 1.708,1220 1.65,1221 1.899,1222 1.888,1223 1.03,1224 1.895,1225 1.648,1226 1.59,1227 1.851,1228 1.845,1229 1.015,1230 1.853,1231 1.353,1232 1.311,1233 1.564,1234 1.629,1235 0.825,1236 1.611,1237 1.266,1238 1.182,1239 1.513,1240 1.538,1241 0.727,1242 1.535,1243 1.153,1244 1.064,1245 1.509,1246 1.376,1247 0.555,1248 1.429,1249 0.967,1250 0.915,1251 1.189,1252 1.215,1253 0.357,1254 1.21,1255 4.143,1257 5.442,1258 2.398,1259 6.942,1260 4.727,1261 8.528,1262 6.823,1263 10.159,1269 5.678,1271 4.594,1273 5.793,1276 4.192,1280 33.31,1281 80.445,1282 186.567,1283 232.79,1284 264.009,1285 274.764,1286 274.764,1287 42.723,1288 7.62,1289 74.59,1290 74.59,1291 23,1292 12.457,1293 4.17,1294 3.322,1295 42.788,1296 129,1297 116,1298 0.16,1299 203.979,1300 347.48,1301 489.468,1302 23622,1304 19.347,1305 0.691,1306 0.569,1307 19.347,1308 15.934,1309 13.742,1310 0.443,1311 0.315,1312 9.614,1313 13.231,1314 9.441,1315 7.773,1316 13.742,1317 9.75,1318 11.857,1319 0.282,1320 0.168,1321 11.857,1322 7.052,1323 10.298,1324 0.184,1325 0.094,1326 10.298,1327 5.269,1328 8.454,1329 0.119,1330 0.052,1331 8.454,1332 3.699,1333 6.794,1334 0.078,1335 0.029,1336 6.794,1337 2.481,1338 0.26,1339 85.892,1340 0.217,1341 27.365,1342 0.416,1343 146,1344 386.406,1345 159.001,1346 372.488,1347 514.99,1348 352,1349 171,1350 380.119,1351 184.862,1352 383.524,1353 561.41,1354 363,1355 9.347} {0 CHEMBL422191,1 1.389,2 11.8,3 2.534,4 6.423,5 103.539,6 6.637,7 0.536,8 4.026,9 4.177,10 3.518,11 3.505,12 4.983,13 3.472,14 4.607,15 4.831,16 3.832,17 3.931,18 5.443,19 3.866,20 4.838,21 5.089,22 3.764,23 4.092,24 5.57,25 3.955,26 4.947,27 5.232,28 3.654,29 4.09,30 5.623,31 3.907,32 4.899,33 5.221,34 3.535,35 3.936,36 5.528,37 3.753,38 4.645,39 4.922,40 3.487,41 3.805,42 5.353,43 3.658,44 4.654,45 4.948,46 3.438,47 3.745,48 5.374,49 3.587,50 4.557,51 4.858,52 3.284,53 3.644,54 5.244,55 3.485,56 0.076,57 0.818,58 12.276,59 4.222,60 10.594,61 6.575,62 0.27,63 1.296,64 22.941,65 6.879,66 17.255,67 11.107,68 0.247,69 1.474,70 28.668,71 10.143,72 19.664,73 15.531,74 0.207,75 1.496,76 32.1,77 11.621,78 24.275,79 17.842,80 0.299,81 1.336,82 31.296,83 10.076,84 25.051,85 16.058,86 0.186,87 1.148,88 23.849,89 7.838,90 17.192,91 12.443,92 0.27,93 1.117,94 24.356,95 7.802,96 21.61,97 12.364,98 0.214,99 0.996,100 22.128,101 6.753,102 18.608,103 10.989,104 2,105 38,106 0.234,107 0.557,108 0.734,109 0.8,110 0.827,111 0.827,112 3.266,113 0.981,114 -4.07,115 -4.02,116 -3.8,119 37.3,121 3,124 1,125 5,140 3,141 2,142 1,149 1,150 1,158 2,164 1,169 6,171 2,172 3,176 3,178 6,181 1,182 3,186 3,189 6,193 6,197 1,199 4,203 7,206 1,208 1,211 3,215 5,222 2,226 5,229 3,233 1,237 4,248 1,249 4,259 976,260 17.361,261 17.361,262 17.361,263 17.361,264 17.361,265 15.673,266 20.488,267 10.441,268 17.82,269 13.852,270 13.852,271 13.852,272 13.852,273 13.852,274 11.314,275 20.738,276 4.996,277 14.579,278 4.283,279 2.364,280 1.308,281 0.917,282 0.76,283 0.76,284 3.968,287 1,288 1,289 1,290 655,291 2.739,294 123.655,295 153.072,298 103.613,302 1.744,303 9.071,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 53,315 295,316 4.568,317 3.196,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 2.945,327 6.095,328 3.689,329 2.752,330 3.731,331 0.8,332 8.884,333 2.577,334 3.619,335 2.883,336 5.412,337 3.54,338 2.618,339 2.812,341 7.154,342 2.41,343 3.432,344 2.485,345 5.13,346 3.067,347 2.129,348 2.619,350 6.012,351 2.027,352 3.25,353 2.194,354 4.889,355 2.989,356 2.034,357 2.59,359 5.694,360 1.91,361 3.114,362 1.796,363 4.515,364 2.733,365 1.778,366 2.116,368 4.655,369 1.692,370 2.751,371 1.484,372 4.137,373 2.438,374 1.452,375 1.855,377 3.524,378 1.43,379 2.499,380 1.26,381 3.593,382 2.194,383 1.223,384 1.498,386 2.909,387 1.185,388 2.359,389 1.146,390 3.414,391 1.967,392 1,393 1.308,395 2.275,396 0.965,397 2.118,398 0.979,399 3.333,400 1.893,401 0.93,402 1,404 2.147,405 0.893,406 2.078,407 0.748,408 3.201,409 1.648,410 0.688,411 0.927,413 1.632,414 0.659,415 2,416 0.618,417 3,418 1.518,419 0.618,420 0.923,422 1.372,423 0.556,424 1.519,425 0.458,426 2.901,427 1.353,428 0.382,429 0.431,431 0.886,432 0.37,433 0.967,434 0.016,435 2.436,436 0.825,437 -0.141,438 -0.148,440 -0.31,441 -0.136,442 0.77,443 -0.345,444 2.296,445 0.44,446 -0.524,447 -0.623,449 -1.271,450 -0.502,451 11.9,452 0.476,453 0.465,454 0.019,455 29.25,456 1.17,457 12,458 0.48,459 17.25,460 0.69,461 21.53,462 0.861,463 27.7,464 0.543,465 18.392,466 0.736,467 5.651,468 0.226,469 6.641,470 0.266,471 0.042,473 0.269,479 0.914,480 1.611,481 0.885,482 1.261,483 0.648,484 1.1,485 1.374,486 1.006,487 1.028,488 0.887,489 0.806,490 0.912,491 0.922,492 1.007,493 1.089,494 1.107,495 0.738,496 1.116,497 0.617,498 1.078,499 0.966,500 1.156,501 0.672,502 1.111,503 0.765,504 0.8,505 0.813,506 0.824,507 0.743,508 0.825,509 0.907,510 1.088,511 0.98,512 1.065,513 0.816,514 1.037,515 0.772,516 0.965,517 0.93,518 1.007,519 0.804,520 0.99,521 1.075,522 0.902,523 0.97,524 0.894,525 1.214,526 0.916,527 4,528 0.111,529 2.667,530 0.882,531 0.886,532 0.528,533 0.338,534 0.19,535 0.122,536 0.1,537 8502,538 17601,539 2.179,540 51,541 4,542 16,543 1,544 2,545 1,547 2,550 1.674,551 2.113,552 3.518,553 -0.317,554 1,555 1,559 70.862,560 1.389,561 3.308,562 4.364,563 4.756,564 4.913,565 4.913,566 2.953,567 4.084,568 4.615,569 3.687,570 1106.16,571 7.948,572 14011.5,574 1,576 1,577 289.294,578 1.078,579 4.606,580 0.143,581 0.007,582 0.07,583 0.026,584 0.031,585 0.02,586 0.014,587 0.008,588 0.006,589 0.005,590 0.33,591 0.5,592 1,593 0.372,594 123.226,595 0.136,596 -0.306,597 0.098,598 -0.132,599 0.284,600 -0.039,601 -0.118,602 0.168,603 -0.018,604 0.119,605 0.073,606 0.071,607 -0.092,608 0.037,609 -0.13,610 -0.056,611 -0.002,612 -0.091,613 0.033,614 -0.152,615 -0.025,616 -0.115,617 0.087,618 -0.083,619 0.067,620 0.061,621 0.154,622 0.137,623 0.119,624 0.153,625 -0.043,626 -0.114,627 -0.014,628 -0.057,629 0.046,630 -0.036,631 0.163,632 -0.026,633 0.047,634 -0.036,635 0.133,636 -0.013,637 -0.104,638 0.028,639 0.011,640 0.063,641 -0.169,642 0.052,643 0.559,644 0.899,645 0.8,646 24.528,647 0.989,648 1.14,649 2.841,650 8.071,651 0.64,652 3.367,653 3.664,654 3.932,655 4.174,656 4.331,657 4.394,658 4.5,659 4.615,660 4.625,661 4.663,662 6.898,663 0.596,664 338.51,665 3.367,666 4.89,667 5.733,668 6.594,669 7.454,670 8.321,671 9.189,672 10.061,673 10.933,674 11.809,675 11.8,678 2,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 51,716 15,717 1,718 28,720 54,721 19,722 10,723 3,724 3,730 4,731 5,743 3,745 10,746 9,760 1,761 1,764 26,765 4,766 1,767 6,773 6,777 0.75,788 1,792 2,793 2,796 1,815 2,819 3,823 1,827 25,833 8,838 2,844 1,854 11.833,855 9.25,856 5.5,857 3.23,858 2.779,859 1.376,860 1.006,861 5.041,862 10.17,863 3.597,864 4.167,865 4.771,866 5.374,867 5.799,868 6.227,869 6.693,870 7.129,871 7.312,872 7.529,873 0.875,874 34,875 9.238,877 3.837,878 7.387,879 18.489,881 15.426,883 1.887,884 47.167,887 1,888 294.278,889 91.901,890 58.259,895 91.901,896 294.278,897 58.259,898 8.396,899 18.132,900 37.476,901 74.105,902 33.449,903 13.915,904 258.964,906 294.278,907 150.161,911 270.735,912 23.542,915 60.303,916 56.532,917 33.326,919 294.278,920 58.259,921 91.901,924 294.278,925 28.792,926 71.257,927 16.786,928 33.326,929 294.278,930 58.259,931 91.901,933 0.574,934 0.332,935 0.178,936 0.091,937 19,938 7,939 0.111,940 6,941 1,942 1.1,943 3.952,944 200.925,945 0.1,946 20,947 108.096,951 16.615,952 7.586,953 3.881,954 2.511,955 39.575,956 12.103,957 7.792,958 3.399,961 2.513,962 1.948,963 16.786,964 444.438,965 35.5,975 50.447,976 58.142,977 0.245,978 0.583,979 0.769,980 0.838,981 0.866,982 0.866,983 4.818,984 1.223,985 5.687,986 3.524,987 4.344,988 4.852,989 1.072,990 6.454,991 4.249,992 5.986,993 1,994 7.212,995 2.909,996 3.761,997 4.543,998 0.57,999 7.261,1000 3.609,1001 7.268,1002 0.93,1003 8.837,1004 2.275,1005 5.889,1006 7.039,1007 0.653,1008 10.353,1009 5.707,1010 8.593,1011 0.688,1012 10.525,1013 2.147,1014 6.196,1015 7.716,1016 0.479,1017 12.053,1018 5.971,1019 9.958,1020 0.618,1021 12.255,1022 1.632,1023 7.718,1024 9.599,1025 0.432,1026 14.631,1027 7.469,1028 11.352,1029 0.382,1030 14.014,1031 1.372,1032 8.441,1033 10.728,1034 0.346,1035 16.694,1036 8.166,1037 12.768,1038 -0.141,1039 15.796,1040 0.886,1041 9.717,1042 12.375,1043 0.291,1044 19.104,1045 9.42,1046 3.118,1047 -0.524,1048 17.594,1049 -0.31,1050 10.642,1051 13.711,1052 0.237,1053 21.32,1054 10.33,1055 2.752,1056 10.431,1057 19.405,1058 -1.271,1059 11.815,1060 15.265,1061 0.195,1062 23.674,1063 11.487,1064 2.618,1065 8.884,1066 21.226,1067 4.518,1068 12.839,1069 16.692,1070 0.158,1071 25.955,1072 12.5,1073 2.129,1074 7.154,1075 23.056,1076 3.731,1077 13.973,1078 18.211,1079 0.129,1080 28.292,1081 13.621,1082 2.034,1083 6.012,1084 24.892,1085 2.812,1086 15.044,1087 19.679,1088 0.104,1089 30.602,1090 14.684,1091 1.778,1092 5.694,1093 26.735,1094 2.619,1095 16.165,1096 21.187,1097 0.084,1098 32.936,1099 15.794,1100 1.452,1101 4.655,1102 28.581,1103 2.59,1104 17.261,1105 22.674,1106 0.068,1107 35.26,1108 16.882,1109 7905,1110 11574,1111 19.474,1112 32.648,1113 41.907,1114 41.151,1115 41.801,1116 41.463,1117 41.446,1118 52.658,1119 3.2,1120 115.151,1121 39.473,1122 5.568,1123 5.196,1124 6.248,1125 5.166,1126 5.118,1127 7.518,1128 1.2,1129 17.095,1130 5.062,1131 6.869,1132 1.497,1133 1.47,1134 1.493,1135 1.481,1136 1.48,1137 1.881,1138 0.114,1139 4.113,1140 1.41,1141 4.152,1142 4.19,1143 4.112,1144 4.061,1145 5.135,1146 4.069,1147 3.862,1148 3.94,1149 3.789,1150 3.666,1151 4.927,1152 3.673,1153 3.826,1154 3.902,1155 3.735,1156 3.586,1157 4.409,1158 3.623,1159 3.594,1160 3.668,1161 3.437,1162 3.431,1163 4.26,1164 3.429,1165 3.334,1166 3.405,1167 3.221,1168 3.176,1169 4.064,1170 3.178,1171 3.198,1172 3.294,1173 3.028,1174 2.956,1175 3.85,1176 2.958,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.685,1182 2.91,1183 3,1184 3.097,1185 2.821,1186 2.809,1187 3.474,1188 2.803,1189 0.163,1190 0.114,1191 0.234,1192 0.146,1193 0.111,1194 4.568,1195 0.161,1196 3.196,1197 0.029,1198 6.566,1199 0.373,1200 4.099,1201 0.109,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.937,1209 2.057,1210 2.056,1211 1.374,1212 2.057,1213 1.811,1214 1.74,1215 2.011,1216 2.029,1217 1.264,1218 2.029,1219 1.683,1220 1.62,1221 1.905,1222 1.861,1223 1.143,1224 1.882,1225 1.448,1226 1.376,1227 1.664,1228 1.69,1229 0.869,1230 1.68,1231 1.376,1232 1.311,1233 1.542,1234 1.597,1235 0.825,1236 1.591,1237 1.17,1238 1.068,1239 1.513,1240 1.442,1241 0.639,1242 1.469,1243 1.153,1244 1.064,1245 1.493,1246 1.441,1247 0.581,1248 1.429,1249 1.078,1250 0.982,1251 1.323,1252 1.376,1253 0.479,1254 1.379,1255 4.043,1257 5.342,1258 3.045,1259 6.825,1260 5.283,1261 8.395,1262 7.286,1263 10.014,1265 2.211,1271 9.68,1276 5.009,1280 30.396,1281 70.862,1282 168.709,1283 222.565,1284 242.539,1285 250.539,1286 250.539,1287 27.575,1288 7.391,1289 52.98,1290 52.98,1291 22,1292 12.349,1293 4,1294 3.087,1295 36.206,1296 102,1297 109,1298 0.168,1299 186.653,1300 305.28,1301 447.193,1302 17529,1304 17.062,1305 0.682,1306 0.594,1307 17.062,1308 14.857,1309 12.293,1310 0.439,1311 0.327,1312 9.013,1313 11.767,1314 8.803,1315 7.3,1316 12.293,1317 9.154,1318 10.789,1319 0.284,1320 0.185,1321 10.789,1322 7.015,1323 9.242,1324 0.185,1325 0.105,1326 9.242,1327 5.234,1328 7.553,1329 0.118,1330 0.056,1331 7.553,1332 3.59,1333 5.779,1334 0.077,1335 0.034,1336 5.779,1337 2.562,1338 0.271,1339 77.095,1340 0.227,1341 24.843,1342 0.439,1343 132,1344 312.558,1345 142.852,1346 308.343,1347 434.26,1348 292,1349 154,1350 332.124,1351 166.684,1352 338.701,1353 489.39,1354 317,1355 6.678} {0 CHEMBL422192,1 1.266,2 9.273,3 3.02,4 9.119,5 94.099,6 6.287,7 0.4,8 3.931,9 4.076,10 3.377,11 3.485,12 4.79,13 3.426,14 4.533,15 4.742,16 3.708,17 3.927,18 5.315,19 3.832,20 4.798,21 5.061,22 3.632,23 4.048,24 5.481,25 3.887,26 4.77,27 5.045,28 3.512,29 3.983,30 5.429,31 3.8,32 4.711,33 5.003,34 3.462,35 3.882,36 5.354,37 3.703,38 4.576,39 4.841,40 3.485,41 3.817,42 5.276,43 3.67,44 4.549,45 4.799,46 3.388,47 3.775,48 5.268,49 3.618,50 4.554,51 4.852,52 3.093,53 3.633,54 5.18,55 3.423,56 0.065,57 0.704,58 11.614,59 4.474,60 6.729,61 6.65,62 0.159,63 1.19,64 21.367,65 7.672,66 13.822,67 11.657,68 0.181,69 1.398,70 27.374,71 10.554,72 18.097,73 15.71,74 0.148,75 1.317,76 26.364,77 10.656,78 17.555,79 15.664,80 0.173,81 1.223,82 24.896,83 9.791,84 17.398,85 14.481,86 0.135,87 1.124,88 21.901,89 8.305,90 15.165,91 12.463,92 0.156,93 1.118,94 21.554,95 7.644,96 15.081,97 11.709,98 0.187,99 1.034,100 21.505,101 7.658,102 15.738,103 11.678,105 34,106 0.218,107 0.57,108 0.771,109 0.847,110 0.847,111 0.847,112 3.147,113 1.035,114 -3.82,115 -3.78,116 -3.59,119 40.4,121 4,125 5,134 1,135 1,140 3,141 3,149 1,150 1,169 10,172 3,176 5,178 11,182 1,186 4,189 11,193 1,197 2,199 10,203 1,206 1,208 3,211 6,215 2,220 4,222 4,226 2,231 3,233 2,237 2,241 1,242 1,244 4,256 4,259 658,260 15.499,261 15.499,262 15.499,263 15.499,264 15.499,265 14.148,266 17.061,267 9.369,268 15.743,269 12.386,270 12.386,271 12.386,272 12.386,273 12.386,274 10.269,275 16.792,276 4.487,277 12.759,278 4.289,279 2.243,280 1.08,281 0.638,282 0.638,283 0.638,284 3.851,287 1,288 1,289 1,290 455,291 2.236,294 104.331,295 117.592,298 82.552,302 1.57,303 7.745,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45.5,315 204,316 4.568,317 3.197,318 6.566,319 4.108,320 3.118,321 4.515,322 0.8,323 10.432,324 3.086,325 4.1,326 2.944,327 6.092,328 3.739,329 2.745,330 3.549,331 0.657,332 8.877,333 2.727,334 3.56,335 2.826,336 5.368,337 3.464,338 2.534,339 2.75,341 7.026,342 2.357,343 3.364,344 2.216,345 5.106,346 2.995,347 2.009,348 2.507,350 5.947,351 1.98,352 3.143,353 2.022,354 4.5,355 2.766,356 1.802,357 2.337,359 4.619,360 1.735,361 2.718,362 1.509,363 4.126,364 2.337,365 1.355,366 1.804,368 3.472,369 1.329,370 2.425,371 1.397,372 3.533,373 2.222,374 1.263,375 1.395,377 2.793,378 1.208,379 2.33,380 1.331,381 3.497,382 2.08,383 1.108,384 1.3,386 2.641,387 1.074,388 2.134,389 1.219,390 3.249,391 1.984,392 1,393 1.048,395 2.136,396 0.983,397 2.032,398 0.843,399 3.247,400 1.712,401 0.753,402 0.968,404 1.775,405 0.721,406 1.618,407 0.744,408 3,409 1.591,410 0.618,411 0.618,413 1.372,414 0.6,415 1.52,416 0.411,417 2.911,418 1.316,419 0.341,420 0.397,422 0.822,423 0.332,424 0.878,425 -0.236,426 2.535,427 0.554,428 -0.421,429 -0.49,431 -1.041,432 -0.408,433 0.628,434 -0.483,435 2.219,436 0.209,437 -0.767,438 -0.846,440 -1.891,441 -0.745,442 0.314,443 -0.629,444 2.037,445 0.116,446 -0.871,447 -1.101,449 -2.347,450 -0.861,451 10.7,452 0.486,453 0.359,454 0.016,455 23.75,456 1.08,457 9.5,458 0.432,459 14.25,460 0.648,461 19.564,462 0.889,463 24.1,464 0.513,465 13.992,466 0.636,467 4.382,468 0.199,469 6.517,470 0.296,473 0.271,479 1.147,480 1.338,481 0.967,482 1.102,483 0.96,484 1.035,485 1.507,486 1.096,487 1.092,488 0.999,489 1.059,490 1.012,491 1.038,492 0.988,493 1.058,494 1.029,495 0.896,496 1.042,497 0.691,498 1.034,499 0.994,500 1.081,501 0.994,502 1.064,503 0.613,504 0.923,505 0.855,506 0.942,507 0.839,508 0.921,509 0.886,510 1.089,511 0.927,512 1.013,513 1.002,514 0.98,515 1.367,516 1.281,517 1.236,518 1.228,519 1.508,520 1.223,521 1.147,522 1.037,523 1.132,524 1.084,525 1.202,526 1.103,527 3,528 0.011,529 2.222,530 0.889,531 0.609,532 0.569,533 0.342,534 0.114,535 0.108,536 0.047,537 5547,538 9422,539 2.234,540 53.2,542 14,543 1,545 2,547 8,550 1.644,551 2.2,552 3.218,553 0.214,554 1,555 1,559 59.504,560 1.266,561 3.312,562 4.475,563 4.916,564 4.916,565 4.916,566 2.704,567 3.732,568 4.429,569 3.36,570 776.154,571 7.605,572 8524.74,574 1,576 1,577 261.066,578 0.845,579 4.433,580 0.12,581 0.001,582 0.065,583 0.03,584 0.023,585 0.023,586 0.013,587 0.005,588 0.007,589 0.004,590 0.292,591 0.83,592 1,594 101.269,595 0.017,596 -0.093,597 0.077,598 0.01,599 0.101,600 0.042,601 -0.182,602 0.06,603 -0.057,604 0.027,605 -0.005,607 -0.115,608 0.023,609 -0.078,610 -0.021,611 0.033,612 -0.042,613 0.001,614 -0.076,615 -0.038,616 -0.064,617 -0.048,618 -0.056,619 0.16,620 0.015,621 0.105,622 0.049,623 0.094,624 0.069,625 0.043,626 -0.087,627 0.055,628 -0.01,629 0.014,630 0.018,631 -0.156,632 -0.223,633 -0.23,634 -0.244,635 -0.319,636 -0.243,637 -0.026,638 -0.075,639 -0.151,640 -0.143,641 -0.121,642 -0.154,643 0.498,644 0.943,645 0.909,646 18.355,647 0.979,648 1.129,649 2.587,650 6.692,651 0.647,652 3.258,653 3.555,654 3.85,655 4.111,656 4.263,657 4.357,658 4.533,659 4.673,660 4.7,661 4.745,662 5.603,663 0.593,664 295.47,665 3.258,666 4.779,667 5.631,668 6.497,669 7.365,670 8.238,671 9.113,672 9.992,673 10.872,674 11.755,675 6.4,677 1,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 47,716 11,717 1,718 25,720 50,721 19,722 8,723 3,724 3,725 2,730 4,731 5,740 3,743 4,745 10,746 9,750 1,757 1,759 1,760 1,761 1,764 25,765 2,766 2,767 3,773 3,777 0.75,788 1,789 1,792 2,793 2,796 1,810 1,811 1,814 1,815 1,819 3,827 22,833 9,834 1,838 1,854 10,855 8.117,856 4.833,857 3.161,858 2.336,859 1.325,860 1.036,861 4.11,862 9.523,863 3.466,864 4.03,865 4.641,866 5.232,867 5.724,868 6.121,869 6.572,870 6.949,871 7.015,872 7.198,873 1,874 30,875 8.189,877 3.47,878 7.265,879 16.729,881 14.464,883 1.765,884 38.833,885 0.002,887 1,888 270.735,889 81.893,890 37.921,895 81.893,896 270.735,897 37.921,899 20.667,900 64.963,902 32.04,903 13.915,904 258.964,906 270.735,907 119.813,911 176.567,912 94.169,915 58.587,916 51.75,917 9.476,919 270.735,920 37.921,921 81.893,924 270.735,925 34.94,926 50.077,927 34.796,929 270.735,930 37.921,931 81.893,933 0.572,934 0.336,935 0.185,936 0.09,937 18,938 6,939 0.08,940 4,941 1,942 1.1,943 3.627,944 175.069,945 0.1,946 20,947 94.107,951 14.194,952 6.371,953 3.055,954 2.686,955 21.135,956 9.108,958 3.443,961 2.87,963 34.796,964 390.549,965 31,972 2.335,974 1.493,975 46.025,976 53.062,977 0.228,978 0.596,979 0.806,980 0.885,981 0.885,982 0.885,983 4.696,984 1.108,985 5.58,986 2.793,987 4.234,988 4.714,989 1.038,990 6.358,991 4.182,992 5.86,993 1,994 7.107,995 2.641,996 3.611,997 4.46,998 0.325,999 7.182,1000 3.549,1001 7.152,1002 0.753,1003 8.739,1004 2.136,1005 5.784,1006 6.912,1007 0.607,1008 10.294,1009 5.693,1010 8.488,1011 0.618,1012 10.436,1013 1.775,1014 6.089,1015 7.63,1016 0.268,1017 12.018,1018 5.997,1019 9.865,1020 0.341,1021 12.176,1022 1.372,1023 7.631,1024 9.497,1025 0.359,1026 14.602,1027 7.516,1028 11.271,1029 -0.421,1030 13.947,1031 0.822,1032 8.363,1033 10.65,1034 0.188,1035 16.678,1036 8.25,1037 12.698,1038 -0.767,1039 15.738,1040 -1.041,1041 9.648,1042 12.295,1043 0.214,1044 19.091,1045 9.518,1046 3.118,1047 -0.871,1048 17.546,1049 -1.891,1050 10.582,1051 13.643,1052 0.125,1053 21.312,1054 10.453,1055 2.745,1056 10.432,1057 19.365,1058 -2.347,1059 11.761,1060 15.2,1061 0.129,1062 23.668,1063 11.62,1064 2.534,1065 8.877,1066 21.193,1067 4.515,1068 12.792,1069 16.635,1070 0.082,1071 25.951,1072 12.648,1073 2.009,1074 7.026,1075 23.028,1076 3.549,1077 13.93,1078 18.158,1079 0.079,1080 28.289,1081 13.777,1082 1.802,1083 5.947,1084 24.87,1085 2.75,1086 15.007,1087 19.632,1088 0.054,1089 30.601,1090 14.85,1091 1.355,1092 4.619,1093 26.716,1094 2.507,1095 16.131,1096 21.143,1097 0.048,1098 32.935,1099 15.966,1100 1.263,1101 3.472,1102 28.566,1103 2.337,1104 17.232,1105 22.634,1106 0.035,1107 35.259,1108 17.06,1109 5130,1110 6768,1111 17.682,1112 30.393,1113 37.263,1114 37.434,1115 37.109,1116 37.298,1117 37.295,1118 46.373,1119 2.915,1120 103.824,1121 36.26,1122 5.518,1123 5.197,1124 6.368,1125 5.147,1126 5.118,1127 7.515,1128 1.457,1129 17.104,1130 5.086,1132 1.491,1133 1.497,1134 1.484,1135 1.492,1136 1.492,1137 1.855,1138 0.117,1139 4.153,1140 1.45,1141 4.146,1142 4.18,1143 4.103,1144 4.071,1145 4.966,1146 4.075,1147 3.848,1148 3.917,1149 3.73,1150 3.708,1151 4.523,1152 3.706,1153 3.81,1154 3.871,1155 3.698,1156 3.666,1157 4.34,1158 3.664,1159 3.444,1160 3.505,1161 3.315,1162 3.328,1163 4.194,1164 3.316,1165 3.245,1166 3.33,1167 3.089,1168 3.05,1169 3.853,1170 3.05,1171 3.036,1172 3.129,1173 2.814,1174 2.874,1175 3.662,1176 2.846,1177 2.94,1178 3.014,1179 2.781,1180 2.797,1181 3.568,1182 2.786,1183 2.869,1184 2.979,1185 2.638,1186 2.671,1187 3.438,1188 2.635,1189 0.183,1190 0.128,1191 0.263,1192 0.164,1193 0.125,1194 4.568,1195 0.181,1196 3.197,1197 0.032,1198 6.566,1199 0.417,1200 4.108,1201 0.123,1202 3.118,1203 4.515,1204 0.8,1205 10.432,1206 3.086,1207 1.993,1208 1.971,1209 2.09,1210 2.071,1211 1.323,1212 2.08,1213 1.743,1214 1.693,1215 1.927,1216 1.903,1217 1.224,1218 1.915,1219 1.664,1220 1.601,1221 1.86,1222 1.869,1223 1.211,1224 1.869,1225 1.577,1226 1.507,1227 1.854,1228 1.751,1229 1.062,1230 1.793,1231 1.426,1232 1.352,1233 1.639,1234 1.657,1235 0.872,1236 1.657,1237 1.141,1238 1.066,1239 1.435,1240 1.369,1241 0.69,1242 1.393,1243 1.073,1244 0.984,1245 1.408,1246 1.298,1247 0.533,1248 1.349,1249 0.937,1250 0.859,1251 1.211,1252 1.156,1253 0.413,1254 1.182,1255 3.932,1257 5.231,1258 3.045,1259 6.723,1260 5.283,1261 8.301,1262 7.273,1263 9.928,1271 10.912,1272 3.391,1276 2.595,1280 27.859,1281 59.504,1282 155.642,1283 210.311,1284 231.066,1285 231.066,1286 231.066,1287 23.058,1288 7.188,1289 31.06,1290 31.06,1291 22,1292 12.29,1293 3.585,1294 2.807,1295 29.927,1296 72,1297 67,1298 0.2,1299 169.197,1300 285.82,1301 404.601,1302 12575,1304 14.778,1305 0.672,1306 0.6,1307 14.778,1308 13.198,1309 10.899,1310 0.436,1311 0.345,1312 8.552,1313 10.648,1314 8.383,1315 6.901,1316 10.899,1317 8.625,1318 9.46,1319 0.278,1320 0.193,1321 9.46,1322 6.557,1323 8.339,1324 0.181,1325 0.111,1326 8.339,1327 5.098,1328 7.021,1329 0.117,1330 0.063,1331 7.021,1332 3.755,1333 5.241,1334 0.075,1335 0.034,1336 5.241,1337 2.357,1338 0.312,1339 66.96,1340 0.238,1341 21.793,1342 0.556,1343 118,1344 226.311,1345 123.19,1346 227.776,1347 328.03,1348 218,1349 139,1350 250.211,1351 144.828,1352 257.437,1353 379.41,1354 245,1355 7.131} {0 CHEMBL422243,1 1.469,2 11.864,3 2.238,4 5.009,5 88.585,6 6.782,7 0.5,8 3.87,9 4.008,10 3.363,11 3.367,12 4.867,13 3.338,14 4.423,15 4.619,16 3.643,17 3.732,18 5.367,19 3.665,20 4.697,21 4.955,22 3.612,23 3.816,24 5.513,25 3.705,26 4.638,27 4.911,28 3.376,29 3.712,30 5.398,31 3.569,32 4.55,33 4.833,34 3.223,35 3.634,36 5.251,37 3.465,38 4.481,39 4.777,40 3.126,41 3.534,42 5.186,43 3.353,44 4.365,45 4.659,46 3.051,47 3.418,48 5.077,49 3.246,50 4.24,51 4.532,52 2.966,53 3.313,54 4.967,55 3.158,56 0.039,57 0.662,58 10.178,59 3.849,60 7.2,61 5.586,62 0.214,63 1.026,64 18.742,65 6.466,66 19.873,67 9.395,68 0.322,69 1.167,70 25.716,71 8.081,72 27.684,73 12.239,74 0.321,75 1.08,76 24.4,77 7.454,78 26.104,79 11.422,80 0.221,81 0.984,82 22.074,83 7.247,84 20.352,85 11.127,86 0.243,87 0.904,88 20.71,89 6.898,90 21.686,91 10.517,92 0.22,93 0.802,94 18.434,95 5.983,96 18.57,97 9.301,98 0.167,99 0.724,100 16.213,101 5.008,102 16.355,103 7.918,105 30,106 0.258,107 0.59,108 0.778,109 0.878,110 0.886,111 0.886,112 3.144,113 0.985,114 -3.42,115 -3.4,116 -3.25,119 38.6,121 3,125 3,127 1,140 5,141 1,142 1,143 2,148 1,169 6,171 1,172 5,174 2,176 2,178 6,182 3,184 1,186 1,189 5,193 3,196 1,197 2,199 3,203 1,208 2,211 2,218 2,220 2,222 2,229 1,231 2,233 2,242 2,244 2,248 2,249 2,254 2,256 1,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 13.963,266 21.084,267 9.798,268 15.85,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 9.778,275 30.841,276 4.74,277 12.561,278 3.991,279 2.094,280 1.025,281 0.455,282 0.409,283 0.409,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 13.507,304 1,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 47,315 261,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 0.86,323 9.226,324 2.805,325 3.896,326 2.66,327 5.34,328 3.43,329 2.522,330 3.444,331 0.4,332 6.965,333 2.292,334 3.388,335 2.554,336 5.257,337 3.259,338 2.303,339 2.443,340 0.4,341 6.678,342 2.189,343 2.962,344 1.988,345 4.415,346 2.715,347 1.755,348 2.12,350 4.371,351 1.683,352 2.928,353 1.88,354 3.819,355 2.59,356 1.618,357 2.076,359 3.579,360 1.568,361 2.86,362 1.629,363 3.631,364 2.451,365 1.492,366 1.986,368 3.117,369 1.427,370 2.682,371 1.466,372 3.584,373 2.385,374 1.401,375 1.693,377 2.988,378 1.373,379 2.5,380 1.227,381 3.266,382 1.987,383 1.046,384 1.5,386 2.227,387 0.981,388 2.127,389 1,390 3.247,391 1.917,392 1,393 1.11,395 2.136,396 0.916,397 1.887,398 0.805,399 3.136,400 1.667,401 0.695,402 0.806,404 1.589,405 0.673,406 1.428,407 0.569,408 2.755,409 1.266,410 0.335,411 0.359,413 0.747,414 0.311,415 0.947,416 -0.026,417 2.338,418 0.716,419 -0.225,420 -0.249,422 -0.524,423 -0.211,424 0.706,425 -0.291,426 2.131,427 0.387,428 -0.555,429 -0.637,431 -1.23,432 -0.518,433 0.686,434 -0.36,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.596,441 -0.596,442 0.5,443 -0.707,444 1.773,445 0.045,446 -0.888,447 -1.05,449 -1.918,450 -0.825,451 10.433,452 0.474,453 0.256,454 0.012,455 27.5,456 1.25,457 13,458 0.591,459 14.5,460 0.659,461 16.338,462 0.743,463 24.367,464 0.554,465 15.916,466 0.723,467 5.323,468 0.242,469 5.593,470 0.254,473 0.192,479 0.965,480 1.451,481 0.884,482 1.196,483 0.843,484 1.051,485 1.138,486 1.108,487 1.071,488 1.156,489 0.97,490 1.112,491 1.321,492 1.002,493 1.001,494 0.96,495 1.081,496 0.952,497 1.395,498 0.904,499 1.156,500 0.961,501 1.262,502 1.021,503 1.01,504 0.991,505 1.062,506 1.026,507 1.013,508 1.049,509 0.797,510 0.877,511 0.983,512 0.986,513 0.843,514 1.007,515 0.787,516 0.98,517 0.936,518 0.973,519 0.808,520 0.976,521 0.978,522 0.934,523 0.99,524 0.92,525 1.056,526 0.943,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 14880,539 2.153,540 50,541 2,542 12,544 2,545 2,547 2,548 2,550 1.632,551 2.129,552 3.537,553 0.304,554 1,555 1,557 1,559 64.621,560 1.469,561 3.366,562 4.434,563 5.005,564 5.05,565 5.05,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,576 1,577 240.215,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.67,592 1,594 105.786,595 -0.032,596 -0.193,597 0.06,598 -0.071,599 0.054,600 -0.003,601 0.033,602 0.031,603 -0.089,604 -0.13,605 0.08,606 -0.125,607 -0.046,608 -0.042,609 0.003,610 0.006,611 0.007,612 0.01,613 -0.178,614 0.053,615 -0.153,616 -0.022,617 -0.199,618 -0.076,619 -0.105,620 -0.063,621 -0.092,622 -0.058,623 -0.132,624 -0.072,625 0.049,626 0.03,627 -0.014,628 -0.028,629 0.019,630 -0.032,631 0.084,632 -0.081,633 0.036,634 -0.014,635 0.046,636 -0.001,637 -0.088,638 0.004,639 -0.012,640 0.02,641 -0.139,642 0.018,643 1.055,644 2.51,645 0.727,646 20,647 0.993,648 1.135,649 2.193,650 4.81,651 0.644,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.603,664 298.43,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 9.1,677 1,680 1,685 2,688 7,689 2,693 3,695 12,707 1,712 1,714 44,716 12,717 1,718 24,720 46,721 17,722 10,723 2,724 4,730 3,731 4,740 3,743 4,745 10,746 7,760 1,761 1,764 22,765 5,766 2,767 5,773 4,777 0.667,778 1,787 1,793 3,797 1,814 1,819 2,827 22,833 6,834 2,835 1,837 1,847 2.3,852 1,854 10.333,855 7.483,856 5.028,857 2.761,858 2.01,859 1.299,860 0.974,861 5.488,862 8.73,863 3.434,864 3.892,865 4.35,866 4.8,867 5.251,868 5.01,869 5.125,870 5.264,871 5.376,872 5.046,873 0.875,874 28,875 8.125,877 3.308,878 7.492,879 15.993,881 12.869,883 1.992,884 43.833,885 0.001,888 235.422,889 89.725,890 69.593,892 11,895 89.725,896 246.422,897 69.593,899 13.921,900 65.392,901 75.124,902 37.524,903 1.899,904 211.88,906 235.422,907 159.317,908 11,911 188.338,912 58.084,915 51.925,916 55.81,917 51.582,919 235.422,920 80.592,921 89.725,924 235.422,925 24.249,926 65.476,927 36.022,928 44.571,929 235.422,930 80.592,931 89.725,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.152,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 94.107,951 15.104,952 7.994,953 4.596,955 80.592,956 13.616,957 8.257,961 3.059,963 36.022,964 405.739,965 30,975 43.687,976 49.939,977 0.269,978 0.617,979 0.812,980 0.917,981 0.925,982 0.925,983 4.605,984 1.046,985 5.389,986 2.988,987 4.111,988 4.575,989 1.138,990 6.057,991 4.008,992 5.712,993 1,994 6.843,995 2.227,996 3.219,997 3.861,999 6.629,1000 3.043,1001 6.939,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.566,1007 0.787,1008 9.728,1009 5.339,1010 8.2,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.75,1017 11.237,1018 5.275,1019 9.499,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.861,1025 0.602,1026 13.773,1027 6.939,1028 10.824,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.509,1035 15.673,1036 7.37,1037 12.172,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.31,1043 0.471,1044 18.008,1045 8.71,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.217,1053 20.081,1054 9.418,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.84,1061 0.367,1062 22.343,1063 10.594,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.901,1071 24.495,1072 11.453,1073 1.755,1074 6.678,1075 22.154,1076 3.444,1077 13.114,1078 16.414,1079 0.283,1080 26.73,1081 12.548,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.571,1089 28.918,1090 13.487,1091 1.492,1092 3.579,1093 25.723,1094 2.12,1095 15.185,1096 19.017,1097 0.217,1098 31.143,1099 14.545,1100 1.401,1101 3.117,1102 27.515,1103 2.076,1104 16.206,1105 20.235,1107 33.348,1108 15.527,1109 6065,1110 9321,1111 16.871,1112 28.33,1113 34.271,1114 34.4,1115 34.265,1116 34.199,1117 34.181,1118 42.706,1119 3.32,1120 87.247,1121 32.433,1122 5.184,1123 5.256,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 1.72,1129 15.535,1130 4.805,1132 1.428,1133 1.433,1134 1.428,1135 1.425,1136 1.424,1137 1.779,1138 0.138,1139 3.635,1140 1.351,1141 3.984,1142 4.012,1143 3.915,1144 3.896,1145 5.018,1146 3.896,1147 3.844,1148 3.908,1149 3.787,1150 3.657,1151 4.859,1152 3.68,1153 3.676,1154 3.747,1155 3.542,1156 3.514,1157 4.39,1158 3.511,1159 3.517,1160 3.58,1161 3.366,1162 3.382,1163 4.222,1164 3.368,1165 3.242,1166 3.335,1167 3.07,1168 3.036,1169 4.02,1170 3.031,1171 3.02,1172 3.099,1173 2.868,1174 2.814,1175 3.962,1176 2.819,1177 2.856,1178 2.92,1179 2.717,1180 2.699,1181 3.82,1182 2.694,1183 2.692,1184 2.776,1185 2.56,1186 2.527,1187 3.605,1188 2.518,1189 0.176,1190 0.136,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.256,1197 0.036,1198 6.183,1199 0.384,1200 3.882,1201 0.117,1202 2.923,1203 3.815,1204 0.86,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.762,1214 1.702,1215 1.938,1216 1.977,1217 1.21,1218 1.962,1219 1.657,1220 1.593,1221 1.837,1222 1.852,1223 0.996,1224 1.86,1225 1.529,1226 1.468,1227 1.768,1228 1.697,1229 0.785,1230 1.724,1231 1.226,1232 1.141,1233 1.528,1234 1.48,1235 0.737,1236 1.503,1237 0.996,1238 0.916,1239 1.312,1240 1.254,1241 0.52,1242 1.279,1243 0.847,1244 0.785,1245 1.135,1246 1.065,1247 0.246,1248 1.087,1249 0.693,1250 0.622,1251 1.005,1252 0.919,1253 0.151,1254 0.953,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 5.944,1272 6.669,1273 6.01,1275 0.278,1280 26.542,1281 64.621,1282 148.093,1283 195.096,1284 220.215,1285 222.215,1286 222.215,1287 26.865,1288 6.72,1289 59.07,1290 59.07,1291 18,1292 11.843,1293 3.7,1294 2.807,1295 35.009,1296 95,1297 78,1298 0.175,1299 165.269,1300 280.73,1301 395.017,1302 8086,1304 15.037,1305 0.684,1306 0.576,1307 15.037,1308 12.664,1309 10.916,1310 0.455,1311 0.328,1312 7.772,1313 10.512,1314 7.656,1315 6.344,1316 10.916,1317 7.878,1318 8.979,1319 0.299,1320 0.181,1321 8.979,1322 5.443,1323 7.348,1324 0.199,1325 0.101,1326 7.348,1327 3.753,1328 5.928,1329 0.132,1330 0.058,1331 5.928,1332 2.591,1333 4.838,1334 0.088,1335 0.033,1336 4.838,1337 1.837,1338 0.291,1339 68.174,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 285.691,1345 118.924,1346 275.416,1347 382.37,1348 262,1349 121,1350 283.11,1351 131.869,1352 283.573,1353 410.5,1354 269,1355 8.801} {0 CHEMBL422366,1 1.411,2 14.133,3 2.511,4 6.306,5 121.394,6 7.045,7 0.618,8 4.148,9 4.29,10 3.692,11 3.661,12 5.158,13 3.637,14 4.709,15 4.914,16 4.009,17 4.08,18 5.609,19 4.027,20 4.947,21 5.185,22 3.96,23 4.234,24 5.728,25 4.113,26 5.06,27 5.334,28 3.87,29 4.239,30 5.776,31 4.079,32 5.033,33 5.326,34 3.814,35 4.153,36 5.724,37 3.992,38 4.919,39 5.201,40 3.782,41 4.062,42 5.658,43 3.925,44 4.848,45 5.127,46 3.711,47 3.986,48 5.613,49 3.845,50 4.756,51 5.038,52 3.519,53 3.882,54 5.479,55 3.724,56 0.068,57 0.931,58 12.701,59 4.736,60 11.305,61 6.948,62 0.273,63 1.492,64 24.052,65 7.665,66 19.708,67 11.669,68 0.257,69 1.721,70 31.177,71 11.293,72 22.278,73 16.817,74 0.277,75 1.782,76 36.076,77 13.099,78 28.129,79 19.687,80 0.292,81 1.687,82 35.821,83 12.391,84 28.118,85 18.959,86 0.297,87 1.557,88 31.747,89 10.357,90 26.059,91 16.039,92 0.32,93 1.457,94 29.513,95 9.681,96 27.418,97 14.895,98 0.266,99 1.302,100 26.969,101 8.846,102 23.304,103 13.647,105 46,106 0.229,107 0.575,108 0.757,109 0.827,110 0.85,111 0.85,112 3.44,113 0.939,114 -3.96,115 -3.92,116 -3.71,119 40.4,121 2,125 6,140 5,141 3,142 1,143 2,149 1,150 1,158 2,164 1,169 7,171 2,172 6,176 3,178 6,181 1,182 5,186 3,189 5,192 1,193 7,197 1,199 3,203 8,206 1,211 2,215 6,218 1,222 1,225 1,226 5,229 2,233 1,236 1,237 4,244 2,249 2,252 1,256 3,259 1518,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 24.198,267 12.752,268 21.601,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.28,275 28.599,276 6.123,277 17.676,278 4.422,279 2.288,280 1.172,281 0.737,282 0.596,283 0.596,284 4.156,288 1,289 1,290 956,291 2.828,294 156.712,295 299.286,298 132.918,302 2.209,303 11.75,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63.5,315 424,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.06,327 6.095,328 3.691,329 2.754,330 3.731,331 0.8,332 8.884,333 2.585,334 3.941,335 2.884,336 5.616,337 3.667,338 2.724,339 3.457,340 0.172,341 7.788,342 2.575,343 3.608,344 2.754,345 5.332,346 3.425,347 2.473,348 2.813,350 6.951,351 2.343,352 3.43,353 2.344,354 5.129,355 3.06,356 2.109,357 2.638,359 6.017,360 2.019,361 3.251,362 2.178,363 4.953,364 2.961,365 2.007,366 2.588,368 5.851,369 1.892,370 3.172,371 1.795,372 4.514,373 2.73,374 1.776,375 2.243,377 4.655,378 1.69,379 2.828,380 1.524,381 4.133,382 2.393,383 1.429,384 1.933,386 3.482,387 1.377,388 2.74,389 1.365,390 3.598,391 2.302,392 1.321,393 1.843,395 3.046,396 1.294,397 2.5,398 1.159,399 3.464,400 2.084,401 1.12,402 1.5,404 2.526,405 1.077,406 2.426,407 1.146,408 3.414,409 1.967,410 1,411 1.4,413 2.275,414 0.965,415 2.256,416 1,417 3.316,418 1.956,419 1,420 1.196,422 2.136,423 0.954,424 2.118,425 0.933,426 3.247,427 1.86,428 0.895,429 1,431 2.097,432 0.861,433 2,434 0.674,435 3.176,436 1.562,437 0.618,438 0.927,440 1.469,441 0.578,442 1.986,443 0.618,444 3,445 1.518,446 0.605,447 0.823,449 1.372,450 0.556,451 14.3,452 0.477,453 0.496,454 0.017,455 38.75,456 1.292,457 18,458 0.6,459 20.75,460 0.692,461 24.788,462 0.826,463 31.9,464 0.56,465 25.754,466 0.858,467 7.651,468 0.255,469 7.197,470 0.24,473 0.259,479 0.893,480 1.504,481 0.82,482 1.167,483 0.607,484 1.015,485 1.366,486 1.031,487 1.03,488 0.905,489 0.874,490 0.923,491 0.949,492 1.047,493 1.095,494 1.123,495 0.75,496 1.126,497 0.729,498 1.003,499 0.998,500 1.101,501 0.724,502 1.085,503 0.725,504 0.953,505 0.883,506 0.98,507 0.746,508 0.956,509 0.978,510 0.974,511 0.965,512 0.965,513 0.912,514 0.964,515 0.914,516 0.97,517 0.999,518 1.015,519 0.931,520 1.017,521 1.029,522 0.968,523 1.088,524 1.045,525 1.154,526 1.069,527 4.5,528 0.095,529 2.667,530 1.069,531 0.997,532 0.597,533 0.483,534 0.242,535 0.139,536 0.124,537 15246,538 34918,539 2.228,540 47.4,541 2,542 17,543 1,544 4,545 1,547 2,550 1.72,551 2.195,552 3.767,553 -0.349,555 1,559 80.399,560 1.411,561 3.544,562 4.66,563 5.096,564 5.236,565 5.236,566 3.248,567 4.374,568 4.879,569 3.964,570 1724.35,571 8.465,572 25725.5,574 1,577 332.475,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.025,584 0.027,585 0.017,586 0.014,587 0.008,588 0.006,589 0.005,590 0.297,591 0.33,592 0.88,594 158.756,595 0.107,596 -0.271,597 0.094,598 -0.111,599 0.268,600 -0.027,601 -0.15,602 0.124,603 -0.063,604 0.072,605 0.001,606 0.025,607 -0.096,608 -0.025,609 -0.145,610 -0.097,611 -0.017,612 -0.122,613 0.022,614 -0.078,615 -0.033,616 -0.078,617 0.051,618 -0.065,619 0.077,620 -0.061,621 0.101,622 0.021,623 0.078,624 0.056,625 -0.022,626 -0.032,627 0.026,628 0.012,629 -0.003,630 0.022,631 0.07,632 -0.018,633 -0.008,634 -0.043,635 0.007,636 -0.037,637 -0.077,638 -0.028,639 -0.1,640 -0.069,641 -0.2,642 -0.084,643 0.571,644 1.224,645 0.867,646 34.88,647 0.992,648 1.134,649 2.733,650 7.47,651 0.661,652 3.555,653 3.85,654 4.127,655 4.382,656 4.554,657 4.615,658 4.762,659 4.89,660 4.927,661 4.97,662 8.274,663 0.621,664 401.57,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.378,672 10.248,673 11.117,674 11.99,675 12.3,678 2,683 2,685 3,687 2,688 10,689 3,690 1,693 3,694 1,695 21,714 57,716 21,717 1,718 34,720 61,721 23,722 15,723 3,724 3,730 5,731 6,743 2,745 15,746 8,761 1,764 27,765 5,766 1,767 7,773 7,777 0.8,786 1,788 1,792 2,793 3,796 1,815 2,819 4,827 30,833 8,838 2,844 1,854 13.667,855 10.033,856 6.583,857 3.528,858 3.588,859 1.445,860 1.027,861 5.777,862 11.66,863 3.818,864 4.394,865 4.989,866 5.577,867 6.013,868 6.337,869 6.786,870 7.212,871 7.398,872 7.614,873 1,874 42,875 11.062,877 4.641,878 7.428,879 21.962,881 18.381,883 1.928,884 57.833,887 1,888 306.049,889 123.309,890 75.045,895 123.309,896 306.049,897 75.045,899 17.703,900 56.429,901 114.433,902 54.729,903 13.915,904 247.193,906 306.049,907 198.354,911 282.506,912 23.542,915 77.969,916 70.274,917 50.112,919 306.049,920 75.045,921 123.309,924 306.049,925 31.548,926 99.908,927 16.786,928 50.112,929 306.049,930 75.045,931 123.309,933 0.571,934 0.332,935 0.182,936 0.093,937 23,938 8,939 0.115,940 7,941 1,942 1.077,943 4.495,944 260.457,945 0.077,946 26,947 139.207,951 19.286,952 8.986,953 4.581,954 2.48,955 56.36,956 20.081,957 12.048,958 3.412,961 3.782,962 1.946,963 16.786,964 504.402,965 44.5,975 56.549,976 64.64,977 0.242,978 0.608,979 0.799,980 0.874,981 0.898,982 0.898,983 5.032,984 1.429,985 5.872,986 4.655,987 4.533,988 5.081,989 1.242,990 6.632,991 4.443,992 6.2,993 1.321,994 7.388,995 3.482,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.759,1001 7.478,1002 1.12,1003 9.004,1004 3.046,1005 6.071,1006 7.251,1007 0.883,1008 10.5,1009 5.9,1010 8.794,1011 1,1012 10.682,1013 2.526,1014 6.33,1015 7.822,1016 0.581,1017 12.163,1018 6.123,1019 10.149,1020 1,1021 12.402,1022 2.275,1023 7.884,1024 9.764,1025 0.68,1026 14.735,1027 7.646,1028 11.531,1029 0.895,1030 14.151,1031 2.136,1032 8.569,1033 10.807,1034 0.515,1035 16.77,1036 8.306,1037 12.935,1038 0.618,1039 15.922,1040 2.097,1041 9.86,1042 12.487,1043 0.541,1044 19.17,1045 9.57,1046 3.118,1047 0.605,1048 17.71,1049 1.469,1050 10.757,1051 13.766,1052 0.441,1053 21.369,1054 10.451,1055 2.754,1056 10.431,1057 19.51,1058 1.372,1059 11.935,1060 15.335,1061 0.438,1062 23.714,1063 11.607,1064 2.724,1065 8.884,1066 21.321,1067 4.518,1068 12.939,1069 16.729,1070 0.373,1071 25.985,1072 12.599,1073 2.473,1074 7.788,1075 23.141,1076 3.731,1077 14.072,1078 18.253,1079 0.358,1080 28.316,1081 13.714,1082 2.109,1083 6.951,1084 24.968,1085 3.457,1086 15.129,1087 19.703,1088 0.314,1089 30.62,1090 14.762,1091 2.007,1092 6.017,1093 26.802,1094 2.813,1095 16.246,1096 21.211,1097 0.296,1098 32.95,1099 15.864,1100 1.776,1101 5.851,1102 28.641,1103 2.638,1104 17.332,1105 22.689,1106 0.264,1107 35.27,1108 16.941,1109 13806,1110 21063,1111 24.038,1112 37.654,1113 50.69,1114 50.101,1115 50.24,1116 50.298,1117 50.305,1118 65.67,1119 3.778,1120 138.967,1121 48.047,1122 5.568,1123 5.197,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1132 1.491,1133 1.474,1134 1.478,1135 1.479,1136 1.48,1137 1.931,1138 0.111,1139 4.087,1140 1.413,1141 4.153,1142 4.192,1143 4.113,1144 4.061,1145 5.135,1146 4.069,1147 3.928,1148 3.987,1149 3.848,1150 3.799,1151 4.929,1152 3.804,1153 3.832,1154 3.906,1155 3.789,1156 3.627,1157 4.894,1158 3.643,1159 3.778,1160 3.842,1161 3.677,1162 3.568,1163 4.373,1164 3.599,1165 3.517,1166 3.588,1167 3.374,1168 3.361,1169 4.256,1170 3.358,1171 3.289,1172 3.358,1173 3.184,1174 3.119,1175 4.001,1176 3.125,1177 3.138,1178 3.225,1179 2.988,1180 2.956,1181 3.843,1182 2.95,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.768,1188 2.91,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.568,1195 0.133,1196 3.197,1197 0.027,1198 6.566,1199 0.307,1200 4.099,1201 0.09,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.057,1210 2.064,1211 1.366,1212 2.065,1213 1.879,1214 1.832,1215 2.023,1216 2.044,1217 1.254,1218 2.04,1219 1.766,1220 1.704,1221 1.941,1222 1.938,1223 1.119,1224 1.943,1225 1.633,1226 1.573,1227 1.839,1228 1.813,1229 1.023,1230 1.825,1231 1.405,1232 1.333,1233 1.582,1234 1.664,1235 0.825,1236 1.642,1237 1.316,1238 1.248,1239 1.513,1240 1.527,1241 0.73,1242 1.528,1243 1.153,1244 1.064,1245 1.488,1246 1.442,1247 0.585,1248 1.429,1249 1.116,1250 1.04,1251 1.401,1252 1.376,1253 0.569,1254 1.379,1255 4.234,1257 5.533,1258 3.045,1259 7.02,1260 5.283,1261 8.591,1262 7.286,1263 10.206,1271 8.963,1276 5.122,1280 35.418,1281 80.399,1282 202.036,1283 265.646,1284 290.475,1285 298.475,1286 298.475,1287 33.164,1288 8.072,1289 65.87,1290 65.87,1291 28,1292 12.532,1293 4.459,1294 3.524,1295 42.015,1296 152,1297 142,1298 0.132,1299 215.641,1300 354.3,1301 517.924,1302 43698,1304 20.175,1305 0.673,1306 0.57,1307 20.175,1308 17.114,1309 14.848,1310 0.437,1311 0.313,1312 10.483,1313 14.259,1314 10.286,1315 8.49,1316 14.848,1317 10.637,1318 12.936,1319 0.281,1320 0.174,1321 12.936,1322 7.996,1323 11.214,1324 0.184,1325 0.098,1326 11.214,1327 5.982,1328 9.414,1329 0.119,1330 0.054,1331 9.414,1332 4.282,1333 7.272,1334 0.077,1335 0.032,1336 7.272,1337 2.977,1338 0.217,1339 92.845,1340 0.204,1341 29.237,1342 0.337,1343 160,1344 392.204,1345 172.572,1346 388.308,1347 546.47,1348 368,1349 187,1350 415.589,1351 201.682,1352 423.997,1353 612.68,1354 398,1355 9.523} {0 CHEMBL422504,1 1.532,2 16.028,3 4.122,4 16.993,5 139.016,6 7.44,7 0.575,8 4.277,9 4.395,10 3.847,11 3.811,12 5.399,13 3.796,14 4.8,15 4.979,16 4.213,17 4.204,18 5.867,19 4.173,20 5.032,21 5.22,22 4.261,23 4.375,24 6.088,25 4.309,26 5.166,27 5.391,28 4.208,29 4.401,30 6.178,31 4.302,32 5.151,33 5.387,34 4.148,35 4.342,36 6.16,37 4.242,38 5.049,39 5.282,40 4.035,41 4.25,42 6.045,43 4.144,44 4.961,45 5.206,46 3.985,47 4.138,48 6.006,49 4.038,50 4.843,51 5.055,52 3.944,53 4.02,54 5.997,55 3.961,56 0.087,57 0.962,58 13.287,59 5.765,60 11.834,61 7.541,62 0.287,63 1.56,64 24.838,65 9.256,66 23.668,67 12.745,68 0.36,69 1.88,70 32.126,71 12.172,72 39.223,73 16.455,74 0.336,75 2.028,76 38.722,77 14.554,78 55.723,79 20.169,80 0.478,81 1.92,82 39.589,83 14.262,84 67.612,85 19.657,86 0.466,87 1.763,88 35.332,89 12.683,90 55.446,91 17.64,92 0.388,93 1.595,94 32.766,95 11.901,96 59.779,97 16.756,98 0.342,99 1.424,100 28.596,101 9.626,102 62.112,103 12.899,104 26,105 57,106 0.241,107 0.571,108 0.714,109 0.818,110 0.846,111 0.846,112 3.615,113 0.898,114 -5.23,115 -5.12,116 -4.79,119 43.1,120 2,124 1,125 4,140 10,141 5,142 3,147 1,156 1,159 1,164 1,169 15,171 2,172 6,174 1,176 4,178 19,181 1,182 9,184 1,186 5,189 18,193 11,195 1,197 2,199 16,203 9,207 1,208 1,211 17,214 1,215 7,218 1,220 1,222 13,226 10,229 2,231 3,233 7,237 11,242 5,244 4,248 1,249 7,254 3,256 7,259 2500,260 24.187,261 24.187,262 24.187,263 24.187,264 24.187,265 21.323,266 24.865,267 13.975,268 24.578,269 19.708,270 19.708,271 19.708,272 19.708,273 19.708,274 15.374,275 33.766,276 6.645,277 20.335,278 4.49,279 2.399,280 1.492,281 0.827,282 0.65,283 0.65,284 4.319,289 1,290 1269,291 3.162,294 121.636,295 529.299,302 2.475,303 30.42,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 77.5,315 577,316 4.441,317 3.574,318 6.483,319 4.064,320 3.071,321 4.146,322 1.058,323 10.076,324 3.054,325 4.339,326 3.262,327 6.473,328 3.99,329 3.037,330 3.95,331 0.8,332 10.053,333 2.9,334 4.222,335 3.108,336 6.151,337 3.837,338 2.857,339 3.845,340 0.8,341 9.1,342 2.8,343 4.078,344 2.858,345 6.04,346 3.724,347 2.74,348 3.59,350 8.649,351 2.682,352 3.685,353 2.744,354 5.336,355 3.399,356 2.457,357 3.084,359 6.877,360 2.313,361 3.589,362 2.435,363 5.168,364 3.249,365 2.274,366 2.879,368 6.319,369 2.215,370 3.419,371 2.388,372 5.123,373 3.137,374 2.177,375 2.583,377 6.201,378 2.076,379 3.289,380 2.233,381 4.942,382 2.911,383 1.928,384 2.493,386 5.492,387 1.899,388 3.066,389 2.179,390 4.85,391 2.803,392 1.866,393 2.156,395 5.303,396 1.733,397 2.842,398 1.826,399 4.173,400 2.39,401 1.382,402 1.944,404 3.614,405 1.388,406 2.738,407 1.405,408 4.071,409 2.261,410 1.281,411 1.812,413 3.393,414 1.25,415 2.536,416 1.236,417 3.928,418 2.106,419 1.13,420 1.523,422 3.024,423 1.1,424 2.5,425 1.155,426 3.879,427 2.038,428 1.046,429 1.5,431 2.896,432 1.033,433 2.468,434 1.146,435 3.414,436 2,437 1,438 1.459,440 2.275,441 1,442 2.176,443 1,444 3.414,445 1.967,446 1,447 1.017,449 2.275,450 0.965,451 17,452 0.472,453 0.976,454 0.027,455 48.75,456 1.354,457 25,458 0.694,459 23.75,460 0.66,461 30.497,462 0.847,463 38.2,464 0.588,465 39.927,466 1.109,467 9.794,468 0.272,469 7.575,470 0.21,471 0.127,473 0.371,479 0.778,480 1.307,481 0.785,482 1.063,483 0.724,484 0.947,485 0.779,486 1.025,487 0.791,488 0.878,489 0.511,490 0.829,491 1.001,492 1.055,493 1.059,494 1.047,495 0.858,496 1.054,497 0.883,498 1.059,499 1.014,500 1.104,501 0.997,502 1.082,503 1.077,504 0.942,505 0.988,506 0.96,507 1.262,508 0.966,509 0.989,510 0.964,511 1.055,512 1.012,513 1.137,514 1.04,515 0.776,516 0.981,517 0.856,518 0.987,519 0.73,520 0.944,521 1.504,522 1.09,523 1.076,524 1.021,525 1.951,526 0.991,527 8,528 0.199,529 4.889,530 2.472,531 2.121,532 1.309,533 1.049,534 0.604,535 0.362,536 0.269,537 22973,538 57924,539 2.103,540 44.6,541 3,542 21,545 2,546 3,550 1.768,551 1.964,552 3.923,553 0.148,559 99.602,560 1.532,561 3.624,562 4.53,563 5.195,564 5.372,565 5.372,566 3.409,567 4.705,568 5.14,569 4.115,570 2592.32,571 9.002,572 43496.2,577 391.454,578 1.426,579 5.099,580 0.2,581 0.006,582 0.086,583 0.043,584 0.04,585 0.026,586 0.024,587 0.014,588 0.009,589 0.008,590 0.456,591 0.17,592 0.75,593 0.539,594 200.607,595 0.037,596 -0.137,597 0.057,598 -0.023,599 -0.053,600 0.009,601 0.069,602 0.105,603 0.119,604 0.107,605 0.115,606 0.122,607 -0.087,608 0.02,609 -0.134,610 -0.05,611 -0.009,612 -0.089,613 -0.04,614 -0.069,615 -0.056,616 -0.101,617 -0.016,618 -0.082,619 -0.064,620 0.007,621 0.005,622 0.038,623 -0.086,624 0.032,625 -0.032,626 0.012,627 -0.074,628 -0.022,629 -0.11,630 -0.049,631 0.122,632 -0.036,633 0.135,634 0.011,635 0.215,636 0.066,637 -0.185,638 -0.101,639 -0.065,640 -0.053,641 -0.144,642 -0.042,643 1.865,644 5.931,645 0.806,646 46.383,647 1.001,648 1.125,649 4,650 15.998,651 0.67,652 3.714,653 4.06,654 4.331,655 4.575,656 4.796,657 4.86,658 5.017,659 5.1,660 5.159,661 5.278,662 9.08,663 0.64,664 483.62,665 3.714,666 5.273,667 6.129,668 7.009,669 7.878,670 8.759,671 9.633,672 10.513,673 11.389,674 12.27,675 7.7,678 1,681 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,709 1,711 1,714 65,716 24,717 3,718 40,720 69,721 28,722 20,723 8,724 10,725 1,730 5,731 5,736 2,745 21,746 7,750 1,755 1,759 1,764 29,765 8,766 2,767 8,773 5,777 1,778 3,792 1,793 4,815 1,819 5,823 3,827 36,832 1,833 4,834 1,838 2,847 4.6,849 1,850 1,852 1,854 18.333,855 12.667,856 7.75,857 3.849,858 4.129,859 1.492,860 0.985,861 6.879,862 12.527,863 3.98,864 4.593,865 5.168,866 5.731,867 6.232,868 6.516,869 6.964,870 7.322,871 7.677,872 8.083,873 0.909,874 58,875 13.307,877 5.679,878 7.704,879 25.501,881 21.012,883 2.204,884 79.333,888 317.82,889 162.726,890 60.642,892 77.562,895 162.726,896 395.382,897 60.642,898 26.047,899 26.434,900 94.762,901 113.935,902 39.752,904 317.82,906 317.82,907 223.368,908 77.562,911 320.148,912 77.562,915 52.228,916 132.429,917 36.382,919 317.82,920 138.204,921 162.726,924 317.82,925 41.917,926 127.058,927 18.011,928 113.945,929 317.82,930 138.204,931 162.726,933 0.592,934 0.346,935 0.181,936 0.099,937 28,938 13,939 0.072,940 5,942 1,943 4.74,944 341.602,946 29,947 178.117,951 24.2,952 10.234,953 5.365,955 138.204,956 18.754,957 8.274,959 5.083,961 7.333,963 60.694,964 618.75,965 52.5,970 12.931,974 -0.198,975 65.094,976 73.102,977 0.254,978 0.602,979 0.752,980 0.863,981 0.892,982 0.892,983 5.23,984 1.928,985 6.125,986 6.201,987 4.745,988 5.281,989 1.641,990 6.932,991 4.687,992 6.442,993 1.866,994 7.687,995 5.492,996 4.369,997 5.075,998 0.57,999 7.811,1000 4.278,1001 7.75,1002 1.382,1003 9.343,1004 5.303,1005 6.347,1006 7.456,1007 1.488,1008 10.885,1009 6.237,1010 9.089,1011 1.281,1012 11.053,1013 3.614,1014 6.758,1015 8.046,1016 0.479,1017 12.568,1018 6.619,1019 10.458,1020 1.13,1021 12.799,1022 3.393,1023 8.214,1024 9.903,1025 1.47,1026 15.151,1027 8.057,1028 11.847,1029 1.046,1030 14.568,1031 3.024,1032 8.981,1033 10.868,1034 0.346,1035 17.172,1036 8.801,1037 13.252,1038 1,1039 16.354,1040 2.896,1041 10.225,1042 12.494,1043 1.501,1044 19.576,1045 10.028,1046 3.071,1047 1,1048 18.154,1049 2.275,1050 11.164,1051 13.653,1052 0.237,1053 21.746,1054 10.946,1055 3.037,1056 10.076,1057 19.965,1058 2.275,1059 12.319,1060 15.165,1061 1.556,1062 24.081,1063 12.084,1064 2.857,1065 10.053,1066 21.783,1067 4.146,1068 13.34,1069 16.428,1070 0.158,1071 26.318,1072 13.086,1073 2.74,1074 9.1,1075 23.608,1076 3.95,1077 14.459,1078 17.882,1079 1.626,1080 28.627,1081 14.188,1082 2.457,1083 8.649,1084 25.439,1085 3.845,1086 15.521,1087 19.203,1088 0.104,1089 30.895,1090 15.232,1091 2.274,1092 6.877,1093 27.274,1094 3.59,1095 16.626,1096 20.628,1097 1.706,1098 33.195,1099 16.321,1100 2.177,1101 6.319,1102 29.112,1103 3.084,1104 17.708,1105 21.981,1106 0.068,1107 35.478,1108 17.386,1109 21311,1110 34056,1111 26.759,1112 43.529,1113 61.097,1114 61.36,1115 62.326,1116 60.286,1117 60.278,1118 78.454,1119 5.317,1120 175.391,1121 58.521,1122 5.441,1123 5.574,1124 5.897,1125 5.131,1126 5.071,1127 7.146,1128 2.117,1129 16.896,1130 5.054,1131 18.665,1132 1.527,1133 1.534,1134 1.558,1135 1.507,1136 1.507,1137 1.961,1138 0.133,1139 4.385,1140 1.463,1141 4.063,1142 4.089,1143 4.02,1144 4,1145 7.429,1146 4,1147 3.96,1148 3.998,1149 3.911,1150 3.856,1151 6.469,1152 3.864,1153 3.865,1154 3.895,1155 3.824,1156 3.753,1157 5.295,1158 3.759,1159 3.742,1160 3.802,1161 3.651,1162 3.556,1163 4.794,1164 3.563,1165 3.682,1166 3.714,1167 3.608,1168 3.467,1169 4.649,1170 3.509,1171 3.316,1172 3.361,1173 3.26,1174 3.105,1175 4.541,1176 3.136,1177 3.181,1178 3.268,1179 3.011,1180 3.027,1181 4.351,1182 3.007,1183 3.171,1184 3.258,1185 2.978,1186 2.943,1187 3.908,1188 2.941,1189 0.111,1190 0.089,1191 0.162,1192 0.102,1193 0.077,1194 4.441,1195 0.104,1196 3.574,1197 0.026,1198 6.483,1199 0.252,1200 4.064,1201 0.076,1202 3.071,1203 4.146,1204 1.058,1205 10.076,1206 3.054,1207 2.013,1208 1.994,1209 2.099,1210 2.084,1211 1.304,1212 2.087,1213 1.915,1214 1.884,1215 2.032,1216 2.055,1217 1.244,1218 2.055,1219 1.799,1220 1.773,1221 1.923,1222 1.926,1223 1.05,1224 1.926,1225 1.702,1226 1.634,1227 1.881,1228 1.859,1229 1,1230 1.868,1231 1.439,1232 1.384,1233 1.696,1234 1.699,1235 0.825,1236 1.688,1237 1.269,1238 1.229,1239 1.552,1240 1.506,1241 0.736,1242 1.502,1243 1.208,1244 1.145,1245 1.54,1246 1.472,1247 0.641,1248 1.494,1249 1.156,1250 1.064,1251 1.513,1252 1.416,1253 0.621,1254 1.429,1255 4.394,1257 5.733,1258 2.398,1259 7.258,1260 4.595,1261 8.862,1262 6.555,1263 10.508,1265 5.894,1270 10.369,1271 3.527,1272 2.962,1276 4.403,1280 41.573,1281 99.602,1282 235.528,1283 294.46,1284 337.679,1285 349.189,1286 349.189,1287 61.269,1288 8.398,1289 94.73,1290 94.73,1291 29,1292 12.806,1293 4.644,1294 3.755,1295 54.894,1296 199,1297 190,1298 0.132,1299 253.22,1300 437.25,1301 609.618,1302 62618,1304 25.233,1305 0.701,1306 0.574,1307 25.233,1308 20.654,1309 17.368,1310 0.434,1311 0.299,1312 11.803,1313 16.698,1314 11.427,1315 9.499,1316 17.368,1317 11.968,1318 16.121,1319 0.283,1320 0.161,1321 16.121,1322 9.192,1323 13.643,1324 0.182,1325 0.087,1326 13.643,1327 6.548,1328 11.162,1329 0.116,1330 0.046,1331 11.162,1332 4.449,1333 9.012,1334 0.075,1335 0.026,1336 9.012,1337 3.107,1338 0.216,1339 108.815,1340 0.193,1341 33.678,1342 0.341,1343 194,1344 546.534,1345 212.019,1346 532.24,1347 736.52,1348 498,1349 229,1350 559.338,1351 247.826,1352 565.855,1353 822.62,1354 531,1355 6.331} {0 CHEMBL422737,1 1.548,2 8.5,3 4.449,4 19.794,5 89.218,6 8.24,7 0.682,8 3.698,9 3.814,10 3.42,11 3.367,12 4.71,13 3.284,14 4.224,15 4.404,16 3.893,17 3.79,18 5.153,19 3.672,20 4.378,21 4.565,22 3.697,23 3.849,24 5.266,25 3.692,26 4.507,27 4.763,28 3.565,29 3.816,30 5.275,31 3.629,32 4.397,33 4.657,34 3.567,35 3.709,36 5.183,37 3.533,38 4.224,39 4.43,40 3.601,41 3.637,42 5.128,43 3.476,44 4.238,45 4.475,46 3.321,47 3.531,48 5.076,49 3.33,50 4.078,51 4.35,52 3.164,53 3.278,54 4.862,55 3.047,56 0.028,57 0.515,58 7.404,59 3.457,60 6.055,61 4.548,62 0.139,63 0.865,64 18.939,65 6.261,66 11.224,67 7.832,68 0.095,69 0.956,70 19.86,71 7.922,72 14.225,73 10.242,74 0.144,75 1.072,76 25.197,77 9.427,78 18.786,79 12.265,80 0.144,81 0.959,82 21.809,83 8.305,84 17.187,85 10.924,86 0.111,87 0.813,88 18.535,89 6.582,90 15.419,91 8.599,92 0.149,93 0.845,94 21.457,95 7.073,96 16.42,97 8.625,98 0.148,99 0.666,100 18.799,101 6.248,102 15.349,103 8.061,104 13,105 31,106 0.279,107 0.636,108 0.779,109 0.836,110 0.836,111 0.836,112 3.058,113 1.068,114 -4.64,115 -4.56,116 -4.29,119 43.2,121 1,124 2,125 1,140 5,141 3,149 1,150 2,151 1,169 7,172 1,176 3,178 12,182 1,186 3,189 11,193 1,197 1,199 10,203 1,206 1,211 7,215 2,220 2,222 5,226 1,231 1,233 2,237 2,242 1,244 1,249 1,259 486,260 13.378,261 13.378,262 13.378,263 13.378,264 13.378,265 11.665,266 8.343,267 7.853,268 13.915,269 10.869,270 10.869,271 10.869,272 10.869,273 10.869,274 8.258,275 6.937,276 3.764,277 11.812,278 3.662,279 1.685,280 0.895,281 0.581,282 0.581,283 0.581,284 3.735,286 1,288 1,289 1,290 362,291 2.828,294 92.585,295 47.647,298 75.804,302 1.35,303 7.929,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41.333,315 170,316 4.571,317 3.189,318 6.567,319 4.105,320 3.123,321 4.519,322 0.8,323 10.437,324 3.07,325 4.205,326 3.019,327 6.129,328 3.739,329 2.818,330 3.852,332 9.026,333 2.613,334 3.605,335 2.619,336 5.155,337 3.192,338 2.273,339 3.021,341 6.206,342 2.099,343 3.385,344 2.517,345 5.04,346 3.045,347 2.172,348 2.692,350 5.938,351 1.873,352 3.146,353 2.089,354 4.624,355 2.852,356 1.898,357 2.182,359 5.024,360 1.761,361 2.825,362 1.501,363 4.25,364 2.298,365 1.373,366 1.964,368 3.819,369 1.256,370 2.624,371 1.272,372 4.024,373 2.131,374 1.182,375 1.677,377 3.169,378 1.061,379 2.222,380 0.896,381 3.286,382 1.758,383 0.81,384 1.105,386 1.865,387 0.755,388 2.128,389 0.698,390 3.26,391 1.566,392 0.674,393 0.969,395 1.643,396 0.581,397 1.571,398 0.425,399 2.88,400 1.321,401 0.357,402 0.429,404 0.838,405 0.342,406 0.862,407 -0.029,408 2.542,409 0.449,410 -0.489,411 -0.612,413 -1.253,414 -0.363,415 0.625,416 -0.366,417 2.162,418 0.163,419 -0.783,420 -0.921,422 -1.886,423 -0.549,424 0.445,425 -0.6,426 2,427 -0.079,428 -0.841,429 -1,431 -2,432 -0.823,433 0.169,434 -0.757,435 1.858,436 -0.1,437 -1,438 -1.155,440 -2.593,441 -0.9,442 0.011,443 -0.959,444 1.602,445 -0.186,446 -1.085,447 -1.391,449 -3.066,450 -1.03,451 10.348,452 0.517,453 0.541,454 0.027,455 24.5,456 1.225,457 12,458 0.6,459 12.5,460 0.625,461 16.501,462 0.825,463 20.852,464 0.564,465 14.497,466 0.725,467 4.715,468 0.236,469 4.916,470 0.246,471 0.166,473 0.329,479 0.79,480 1.163,481 0.645,482 0.825,483 0.737,484 0.857,485 1.06,486 0.771,487 0.604,488 0.608,489 0.635,490 0.691,491 0.833,492 1.134,493 0.938,494 1.083,495 0.829,496 1.13,497 0.681,498 0.914,499 0.749,500 0.881,501 0.731,502 0.919,503 0.59,504 0.829,505 0.622,506 0.749,507 0.557,508 0.809,509 1.018,510 1.165,511 0.939,512 1.006,513 1.014,514 1.046,515 1.297,516 1.155,517 1.196,518 1.188,519 1.166,520 1.15,521 0.671,522 1.067,523 0.894,524 1.057,525 0.803,526 1.032,527 4.5,528 0.073,529 2.444,530 1.076,531 0.863,532 0.66,533 0.409,534 0.228,535 0.177,536 0.06,537 3710,538 9865,539 2.077,540 45.9,542 13,543 1,545 1,547 2,550 1.618,551 1.935,552 3.093,553 -0.32,555 1,559 57.263,560 1.548,561 3.525,562 4.314,563 4.628,564 4.628,565 4.628,566 2.528,567 4.122,568 4.289,569 3.214,570 610.7,571 7.334,572 6182.49,574 1,576 1,577 192.75,578 1.441,579 4.248,580 0.205,581 0.015,582 0.079,583 0.04,584 0.036,585 0.029,586 0.019,587 0.014,588 0.016,589 0.009,590 0.46,591 0.5,592 1,593 1.275,594 88.241,595 -0.015,596 -0.076,597 0.043,598 0.033,599 -0.064,600 0.028,601 -0.085,602 0.33,603 0.21,604 0.309,605 0.08,606 0.218,607 -0.085,608 -0.151,609 -0.12,610 -0.159,611 -0.047,612 -0.183,613 0.001,614 0.033,615 0.032,616 0.052,617 0.001,618 0.062,619 0.144,620 0.119,621 0.154,622 0.166,623 0.18,624 0.169,625 -0.013,626 -0.188,627 -0.005,628 -0.08,629 -0.016,630 -0.096,631 -0.208,632 -0.116,633 -0.199,634 -0.187,635 -0.195,636 -0.199,637 0.252,638 -0.148,639 0.095,640 -0.066,641 0.171,642 -0.028,643 0.831,644 1.919,645 0.7,646 15.13,647 0.991,648 1.113,649 3.406,650 11.603,651 0.719,652 3.135,653 3.466,654 3.714,655 3.989,656 4.159,657 4.277,658 4.407,659 4.543,660 4.511,661 4.431,662 5.097,663 0.656,664 304.87,665 3.135,666 4.673,667 5.517,668 6.399,669 7.269,670 8.156,671 9.038,672 9.928,673 10.816,674 11.709,675 5.4,678 1,683 1,687 2,688 6,690 1,692 1,693 4,695 15,713 1,714 37,716 15,717 1,718 22,720 39,721 16,722 12,723 3,724 3,730 3,731 4,732 1,743 1,745 12,746 4,761 1,764 17,765 1,766 1,767 4,768 2,773 2,777 0.667,788 1,792 2,793 1,796 1,815 1,819 2,821 1,823 2,824 1,827 20,833 2,838 1,842 1,846 1,854 10.333,855 7.26,856 4.333,857 2.133,858 2.868,859 1.425,860 1.015,861 4.034,862 9.617,863 3.418,864 4.069,865 4.705,866 5.351,867 5.812,868 6.246,869 6.728,870 7.196,871 7.417,872 7.635,873 0.833,874 27,875 7.364,877 3.05,878 7.472,879 14.509,881 11.974,883 1.972,884 39.444,885 0.001,888 188.338,889 123.259,890 19.91,891 39.149,894 31.278,895 91.982,896 227.486,897 19.91,898 16.793,899 4.64,900 56.429,902 30.527,903 54.422,904 207.844,906 188.338,907 111.892,909 70.426,911 164.795,912 23.542,915 26.224,916 85.668,918 70.426,919 188.338,920 19.91,921 162.408,924 188.338,925 50.038,926 76.346,927 16.786,928 39.149,929 188.338,930 19.91,931 162.408,933 0.585,934 0.322,935 0.172,936 0.095,937 16,938 7,939 0.103,940 4,941 1,942 1.143,943 3.267,944 150.446,945 0.143,946 14,947 82.439,948 1,951 13.959,952 5.78,953 3.04,954 2.513,955 3.124,956 12.725,958 3.355,960 1.623,961 4.664,963 16.786,964 370.656,965 29.5,975 36.673,976 41.182,977 0.297,978 0.677,979 0.828,980 0.888,981 0.888,982 0.888,983 4.642,984 0.81,985 5.509,986 3.169,987 4.143,988 4.754,989 0.673,990 6.312,991 4.011,992 5.865,993 0.674,994 7.062,995 1.865,996 3.761,997 4.62,998 0.325,999 7.195,1000 3.545,1001 7.179,1002 0.357,1003 8.712,1004 1.643,1005 5.727,1006 7.033,1007 0.379,1008 10.277,1009 5.515,1010 8.534,1011 -0.489,1012 10.419,1013 0.838,1014 6.155,1015 7.78,1016 0.268,1017 12.011,1018 5.892,1019 9.922,1020 -0.783,1021 12.164,1022 -1.253,1023 7.601,1024 9.64,1025 0.239,1026 14.602,1027 7.34,1028 11.336,1029 -0.841,1030 13.937,1031 -1.886,1032 8.398,1033 10.792,1034 0.188,1035 16.683,1036 8.107,1037 12.769,1038 -1,1039 15.73,1040 -2,1041 9.642,1042 12.429,1043 0.156,1044 19.105,1045 9.347,1046 3.123,1047 -1.085,1048 17.539,1049 -2.593,1050 10.612,1051 13.769,1052 0.125,1053 21.33,1054 10.3,1055 2.818,1056 10.437,1057 19.359,1058 -3.066,1059 11.776,1060 15.318,1061 0.102,1062 23.691,1063 11.457,1064 2.273,1065 9.026,1066 21.19,1067 4.519,1068 12.827,1069 16.744,1070 0.082,1071 25.976,1072 12.496,1073 2.172,1074 6.206,1075 23.027,1076 3.852,1077 13.962,1078 18.259,1079 0.066,1080 28.316,1081 13.622,1082 1.898,1083 5.938,1084 24.871,1085 3.021,1086 15.051,1087 19.724,1088 0.054,1089 30.628,1090 14.7,1091 1.373,1092 5.024,1093 26.72,1094 2.692,1095 16.176,1096 21.227,1097 0.043,1098 32.962,1099 15.816,1100 1.182,1101 3.819,1102 28.573,1103 2.182,1104 17.284,1105 22.711,1106 0.035,1107 35.287,1108 16.913,1109 3673,1110 6138,1111 14.622,1112 26.608,1113 33.746,1114 33.326,1115 34.068,1116 33.557,1117 33.359,1118 44.821,1119 1.6,1120 95.932,1121 30.825,1122 5.403,1123 5.189,1124 5.948,1125 5.205,1126 5.123,1127 7.519,1128 1.2,1129 17.109,1130 5.07,1131 9.748,1132 1.534,1133 1.515,1134 1.549,1135 1.525,1136 1.516,1137 2.037,1138 0.073,1139 4.361,1140 1.401,1141 4.145,1142 4.175,1143 4.344,1144 4.095,1145 4.989,1146 4.082,1147 3.83,1148 3.835,1149 4.056,1150 3.863,1151 4.87,1152 3.792,1153 3.645,1154 3.729,1155 3.516,1156 3.456,1157 4.351,1158 3.453,1159 3.356,1160 3.41,1161 3.369,1162 3.225,1163 4.295,1164 3.221,1165 3.118,1166 3.211,1167 3.129,1168 2.923,1169 4.042,1170 2.915,1171 2.874,1172 3.009,1173 2.914,1174 2.735,1175 3.792,1176 2.712,1177 2.86,1178 2.928,1179 2.682,1180 2.618,1181 3.506,1182 2.57,1183 2.522,1184 2.555,1185 2.672,1186 2.452,1187 3.467,1188 2.41,1189 0.208,1190 0.145,1191 0.298,1192 0.187,1193 0.142,1194 4.571,1195 0.205,1196 3.189,1197 0.036,1198 6.567,1199 0.474,1200 4.105,1201 0.14,1202 3.123,1203 4.519,1204 0.8,1205 10.437,1206 3.07,1207 1.962,1208 1.945,1209 2.037,1210 2.024,1211 1.265,1212 2.032,1213 1.69,1214 1.627,1215 1.903,1216 1.901,1217 1.098,1218 1.908,1219 1.467,1220 1.432,1221 1.692,1222 1.694,1223 0.789,1224 1.697,1225 1.444,1226 1.37,1227 1.599,1228 1.555,1229 0.684,1230 1.579,1231 1.304,1232 1.321,1233 1.417,1234 1.379,1235 0.546,1236 1.422,1237 1.037,1238 0.955,1239 1.413,1240 1.239,1241 0.475,1242 1.308,1243 0.934,1244 0.804,1245 1.137,1246 1.15,1247 0.469,1248 1.232,1249 0.847,1250 0.785,1251 1.071,1252 1.019,1253 0.175,1254 1.061,1255 3.807,1257 5.13,1258 3.045,1259 6.624,1260 5.352,1261 8.202,1262 7.391,1263 9.833,1265 4.21,1266 6.03,1271 2.115,1276 2.21,1280 24.272,1281 57.263,1282 130.411,1283 159.63,1284 171.24,1285 171.24,1286 171.24,1287 22.576,1288 6.749,1289 19.03,1290 47.27,1291 16,1292 12.237,1293 4,1294 3.087,1295 29.942,1296 60,1297 59,1298 0.251,1299 157.556,1300 255.46,1301 376.196,1302 6614,1303 2.7,1304 14.113,1305 0.706,1306 0.659,1307 14.966,1308 13.184,1309 9.631,1310 0.438,1311 0.356,1312 6.681,1313 8.76,1314 6.309,1315 5.274,1316 10.328,1317 7.832,1318 8.984,1319 0.29,1320 0.224,1321 10.223,1322 6.946,1323 7.119,1324 0.178,1325 0.118,1326 8.164,1327 4.734,1328 5.893,1329 0.111,1330 0.064,1331 6.901,1332 3.391,1333 4.584,1334 0.073,1335 0.036,1336 5.455,1337 2.278,1338 0.384,1339 66.28,1340 0.262,1341 19.81,1342 0.71,1343 106,1344 253.042,1345 156.798,1346 305.705,1347 414.92,1348 286,1349 124,1350 268.986,1351 157.632,1352 306.617,1353 447.51,1354 286,1355 8.119} {0 CHEMBL423022,1 1.428,2 15.706,3 3.146,4 9.898,5 138.038,6 6.745,7 0.553,8 4.307,9 4.447,10 3.798,11 3.824,12 5.304,13 3.787,14 4.874,15 5.07,16 4.137,17 4.253,18 5.773,19 4.184,20 5.178,21 5.423,22 4.146,23 4.413,24 6.015,25 4.291,26 5.284,27 5.549,28 4.077,29 4.438,30 6.084,31 4.284,32 5.292,33 5.578,34 4.018,35 4.397,36 6.027,37 4.227,38 5.248,39 5.541,40 3.965,41 4.325,42 5.985,43 4.162,44 5.144,45 5.43,46 3.91,47 4.251,48 5.9,49 4.093,50 5.05,51 5.333,52 3.76,53 4.183,54 5.756,55 4.01,56 0.103,57 1.046,58 15.933,59 6.109,60 15.156,61 8.832,62 0.264,63 1.705,64 29.151,65 10.29,66 23.993,67 15.286,68 0.377,69 2.065,70 40.486,71 14.209,72 42.363,73 21.299,74 0.419,75 2.158,76 45.6,77 16.233,78 53.116,79 24.016,80 0.375,81 2.122,82 46.122,83 16.439,84 45.088,85 24.667,86 0.437,87 2.016,88 44.632,89 14.972,90 45.564,91 22.779,92 0.461,93 1.861,94 40.046,95 13.501,96 43.619,97 20.557,98 0.322,99 1.725,100 36.027,101 12.439,102 30.651,103 19.042,104 5,105 52,106 0.224,107 0.568,108 0.764,109 0.834,110 0.853,111 0.853,112 3.56,113 0.974,114 -4.79,115 -4.7,116 -4.41,119 39.7,120 1,121 4,125 3,127 3,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 7,178 12,182 3,185 1,186 7,189 9,193 6,195 1,197 5,199 9,203 6,206 1,208 5,211 8,215 5,218 1,220 2,222 8,226 4,229 3,231 1,233 6,236 1,237 5,242 3,244 5,249 2,254 2,256 4,259 2142,260 23.499,261 23.499,262 23.499,263 23.499,264 23.499,265 21.085,266 31.4,267 14.034,268 23.93,269 18.77,270 18.77,271 18.77,272 18.77,273 18.77,274 15.216,275 44.25,276 6.684,277 19.495,278 4.66,279 2.471,280 1.225,281 0.78,282 0.658,283 0.658,284 4.269,289 1,290 1186,291 3.742,294 188.495,295 360.947,298 161.506,302 2.464,303 19.569,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 534,316 4.568,317 3.284,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.196,327 6.339,328 3.918,329 2.95,330 3.731,331 0.765,332 9.428,333 2.853,334 4.12,335 2.905,336 6.095,337 3.69,338 2.753,339 3.562,340 0.4,341 8.884,342 2.578,343 3.681,344 2.873,345 5.524,346 3.593,347 2.641,348 2.813,350 7.465,351 2.517,352 3.447,353 2.528,354 5.235,355 3.233,356 2.285,357 2.72,359 6.604,360 2.164,361 3.397,362 2.186,363 5.126,364 3.026,365 2.043,366 2.593,368 6,369 2.004,370 3.249,371 2.062,372 4.895,373 2.93,374 1.959,375 2.508,377 5.379,378 1.894,379 3.116,380 1.795,381 4.514,382 2.73,383 1.775,384 2.179,386 4.655,387 1.69,388 2.757,389 1.558,390 4.134,391 2.415,392 1.427,393 1.852,395 3.482,396 1.408,397 2.732,398 1.364,399 3.777,400 2.307,401 1.322,402 1.801,404 3.146,405 1.301,406 2.5,407 1.162,408 3.473,409 2.087,410 1.122,411 1.5,413 2.533,414 1.08,415 2.426,416 1.077,417 3.414,418 2,419 1,420 1.4,422 2.275,423 1,424 2.256,425 1.012,426 3.323,427 1.984,428 1,429 1.198,431 2.136,432 0.983,433 2.118,434 1,435 3.265,436 1.861,437 0.896,438 1,440 2.1,441 0.863,442 2,443 0.925,444 3.247,445 1.606,446 0.675,447 0.927,449 1.636,450 0.623,451 16.233,452 0.477,453 0.674,454 0.02,455 40.25,456 1.184,457 18,458 0.529,459 22.25,460 0.654,461 33.518,462 0.986,463 37.167,464 0.547,465 28.278,466 0.832,467 7.65,468 0.225,469 9.02,470 0.265,471 0.051,473 0.296,479 0.963,480 1.363,481 0.898,482 1.12,483 0.92,484 1.022,485 1.07,486 1.152,487 1.021,488 1.057,489 0.827,490 1.032,491 0.998,492 1.038,493 1.05,494 1.059,495 0.809,496 1.056,497 1.091,498 1.011,499 1.058,500 1.071,501 1.219,502 1.072,503 0.809,504 1.011,505 0.932,506 1.04,507 0.904,508 1.011,509 1.026,510 0.926,511 0.939,512 0.924,513 1.079,514 0.927,515 0.91,516 0.922,517 0.959,518 0.937,519 0.953,520 0.954,521 0.798,522 0.984,523 1.067,524 1.057,525 0.668,526 1.079,527 5.5,528 0.115,529 3.778,530 1.694,531 1.357,532 0.993,533 0.626,534 0.253,535 0.233,536 0.201,537 21266,538 47116,539 2.163,540 50,541 2,542 17,543 1,544 2,545 3,547 5,548 4,550 1.752,551 2.082,552 3.912,553 0.782,559 97.082,560 1.428,561 3.617,562 4.863,563 5.308,564 5.429,565 5.429,566 3.363,567 4.337,568 5.061,569 4.123,570 2312.97,571 8.827,572 38564.6,577 413.947,578 1.166,579 5.043,580 0.145,581 0.004,582 0.073,583 0.034,584 0.03,585 0.024,586 0.016,587 0.007,588 0.007,589 0.007,590 0.346,591 0.17,592 0.88,593 0.39,594 188.054,595 0.02,596 -0.108,597 0.064,598 -0.012,599 -0.017,600 0.02,601 -0.047,602 0.014,603 -0.043,604 -0.019,605 -0.01,606 -0.029,607 -0.042,608 -0.005,609 -0.074,610 -0.047,611 0.08,612 -0.058,613 -0.069,614 -0.056,615 -0.077,616 -0.066,617 -0.044,618 -0.074,619 0.04,620 -0.095,621 0.039,622 -0.044,623 0.025,624 -0.01,625 -0.024,626 -0.01,627 0.051,628 0.044,629 -0.036,630 0.052,631 0.055,632 0.022,633 0.028,634 0.034,635 -0.024,636 0.026,637 -0.047,638 -0.012,639 -0.099,640 -0.075,641 -0.083,642 -0.088,643 1.805,644 4.641,645 0.765,646 42.353,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.97,654 4.248,655 4.477,656 4.635,657 4.691,658 4.828,659 4.934,660 4.97,661 5.024,662 9.239,663 0.606,664 458.67,665 3.664,666 5.198,667 6.047,668 6.911,669 7.772,670 8.64,671 9.506,672 10.376,673 11.246,674 12.119,675 8.8,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 7,745 16,746 11,764 34,765 5,766 3,767 7,773 6,777 0.8,778 1,780 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,823 1,827 34,832 1,833 7,834 1,837 3,838 1,844 1,847 1.5,848 1,854 16.333,855 11.917,856 7.472,857 4.286,858 3.48,859 1.422,860 0.972,861 7.287,862 11.736,863 3.902,864 4.466,865 5.048,866 5.616,867 6.041,868 6.361,869 6.802,870 7.205,871 7.386,872 7.609,873 1,874 50,875 12.603,877 5.349,878 7.495,879 24.914,881 21.096,883 1.995,884 67.833,888 364.904,889 141.22,890 73.146,892 42.683,895 141.22,896 407.588,897 73.146,898 8.825,899 16.455,900 145.551,901 74.105,902 33.51,903 13.915,904 329.591,906 364.904,907 214.366,908 42.683,911 258.964,912 105.94,913 42.683,915 82.337,916 98.702,917 33.326,919 364.904,920 115.829,921 141.22,924 364.904,925 30.3,926 115.943,927 34.796,928 76.009,929 364.904,930 115.829,931 141.22,933 0.577,934 0.341,935 0.181,936 0.091,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.768,944 306.325,945 0.077,946 26,947 160.974,951 23.097,952 10.727,953 5.542,954 2.45,955 97.144,956 21.98,957 7.832,958 3.411,961 3.427,962 1.939,963 77.48,964 621.953,965 48.5,975 67.309,976 77.012,977 0.235,978 0.594,979 0.799,980 0.872,981 0.892,982 0.892,983 5.131,984 1.775,985 6.009,986 5.379,987 4.654,988 5.153,989 1.238,990 6.788,991 4.581,992 6.301,993 1.427,994 7.546,995 4.655,996 4.111,997 4.783,998 0.325,999 7.615,1000 3.992,1001 7.581,1002 1.322,1003 9.184,1004 3.482,1005 6.217,1006 7.301,1007 0.787,1008 10.71,1009 6.074,1010 8.899,1011 1.122,1012 10.883,1013 3.146,1014 6.553,1015 7.885,1016 0.268,1017 12.396,1018 6.363,1019 10.255,1020 1,1021 12.623,1022 2.533,1023 8.062,1024 9.801,1025 0.518,1026 14.978,1027 7.856,1028 11.637,1029 1,1030 14.39,1031 2.275,1032 8.798,1033 10.848,1034 0.188,1035 17.012,1036 8.554,1037 13.041,1038 0.896,1039 16.177,1040 2.136,1041 10.066,1042 12.515,1043 0.34,1044 19.419,1045 9.805,1046 3.118,1047 0.675,1048 17.978,1049 2.1,1050 10.995,1051 13.794,1052 0.125,1053 21.606,1054 10.704,1055 2.95,1056 10.431,1057 19.79,1058 1.636,1059 12.162,1060 15.356,1061 0.219,1062 23.951,1063 11.854,1064 2.753,1065 9.428,1066 21.611,1067 4.518,1068 13.182,1069 16.749,1070 0.082,1071 26.206,1072 12.851,1073 2.641,1074 8.884,1075 23.439,1076 3.731,1077 14.309,1078 18.269,1079 0.139,1080 28.53,1081 13.962,1082 2.285,1083 7.465,1084 25.273,1085 3.562,1086 15.374,1087 19.717,1088 0.054,1089 30.819,1090 15.007,1091 2.043,1092 6.604,1093 27.112,1094 2.813,1095 16.487,1096 21.223,1097 0.087,1098 33.139,1099 16.104,1100 1.959,1101 6,1102 28.954,1103 2.72,1104 17.575,1105 22.698,1106 0.035,1107 35.445,1108 17.175,1109 19502,1110 29224,1111 26.235,1112 44.148,1113 57.16,1114 56.549,1115 57.134,1116 56.536,1117 56.555,1118 71.94,1119 3.929,1120 158.399,1121 54.467,1122 5.568,1123 5.284,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.565,1129 17.155,1130 5.062,1131 11.236,1132 1.504,1133 1.488,1134 1.504,1135 1.488,1136 1.488,1137 1.893,1138 0.103,1139 4.168,1140 1.433,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 6.45,1146 4.07,1147 3.955,1148 4,1149 3.873,1150 3.872,1151 5.135,1152 3.867,1153 3.86,1154 3.918,1155 3.79,1156 3.715,1157 4.927,1158 3.714,1159 3.823,1160 3.894,1161 3.741,1162 3.587,1163 4.732,1164 3.624,1165 3.597,1166 3.667,1167 3.463,1168 3.426,1169 4.41,1170 3.428,1171 3.484,1172 3.549,1173 3.337,1174 3.344,1175 4.26,1176 3.335,1177 3.28,1178 3.347,1179 3.167,1180 3.118,1181 4.143,1182 3.121,1183 3.111,1184 3.206,1185 2.922,1186 2.941,1187 3.911,1188 2.91,1189 0.12,1190 0.086,1191 0.173,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.284,1197 0.021,1198 6.566,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.08,1210 2.068,1211 1.431,1212 2.076,1213 1.927,1214 1.897,1215 2.045,1216 2.047,1217 1.281,1218 2.046,1219 1.843,1220 1.783,1221 2.019,1222 1.992,1223 1.206,1224 2.005,1225 1.671,1226 1.614,1227 1.881,1228 1.841,1229 1.115,1230 1.858,1231 1.536,1232 1.473,1233 1.786,1234 1.738,1235 0.949,1236 1.754,1237 1.405,1238 1.334,1239 1.586,1240 1.658,1241 0.825,1242 1.64,1243 1.315,1244 1.25,1245 1.513,1246 1.514,1247 0.755,1248 1.522,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.582,1254 1.429,1255 4.344,1257 5.652,1258 3.045,1259 7.148,1260 5.283,1261 8.724,1262 7.286,1263 10.344,1265 2.083,1270 10.641,1271 7.791,1272 3.661,1275 0.041,1276 2.577,1280 41.218,1281 97.082,1282 245.945,1283 330.663,1284 360.928,1285 369.193,1286 369.193,1287 52.065,1288 8.256,1289 82,1290 82,1291 28,1292 12.661,1293 4.459,1294 3.524,1295 50.515,1296 194,1297 168,1298 0.124,1299 251.212,1300 421.29,1301 604.718,1302 56224,1304 23.33,1305 0.686,1306 0.581,1307 23.33,1308 19.769,1309 16.67,1310 0.439,1311 0.325,1312 12.194,1313 16.126,1314 11.935,1315 9.878,1316 16.67,1317 12.336,1318 14.667,1319 0.282,1320 0.182,1321 14.667,1322 9.443,1323 12.819,1324 0.186,1325 0.103,1326 12.819,1327 7.089,1328 10.385,1329 0.119,1330 0.058,1331 10.385,1332 5.086,1333 7.888,1334 0.077,1335 0.034,1336 7.888,1337 3.515,1338 0.206,1339 103.646,1340 0.195,1341 32.489,1342 0.314,1343 180,1344 419.396,1345 193.261,1346 414.928,1347 581.65,1348 392,1349 211,1350 440.326,1351 225.843,1352 448.108,1353 651.12,1354 423,1355 7.892} {0 CHEMBL423029,1 1.201,2 7.222,3 3.919,4 15.356,5 79.108,6 5.82,7 0.526,8 3.774,9 3.928,10 3.13,11 3.3,12 4.684,13 3.221,14 4.346,15 4.585,16 3.487,17 3.719,18 5.12,19 3.62,20 4.559,21 4.77,22 3.478,23 3.921,24 5.376,25 3.759,26 4.835,27 5.152,28 3.337,29 3.918,30 5.47,31 3.694,32 4.615,33 4.927,34 3.221,35 3.721,36 5.243,37 3.515,38 4.369,39 4.621,40 3.226,41 3.609,42 5.131,43 3.447,44 4.439,45 4.716,46 2.789,47 3.524,48 5.16,49 3.29,50 4.397,51 4.774,52 2.433,53 3.235,54 4.864,55 2.922,56 0.058,57 0.591,58 10.498,59 4.058,60 8.81,61 6.113,62 0.127,63 0.947,64 17.92,65 6.579,66 12.763,67 10.068,68 0.111,69 1.159,70 21.977,71 9.167,72 18.667,73 13.403,74 0.156,75 1.281,76 26.913,77 10.698,78 23.433,79 15.917,80 0.156,81 1.046,82 21.775,83 8.549,84 17.392,85 12.711,86 0.107,87 0.909,88 17.843,89 6.698,90 15.448,91 10.204,92 0.164,93 0.919,94 19.063,95 6.289,96 18.626,97 10.034,98 0.1,99 0.716,100 16.395,101 6.29,102 13.472,103 9.493,104 32,105 28,106 0.215,107 0.53,108 0.712,109 0.732,110 0.732,111 0.732,112 2.961,113 1.047,114 -4.42,115 -4.35,116 -4.1,119 38.1,120 3,121 1,123 1,124 2,125 1,140 3,141 3,149 1,150 1,169 10,172 1,176 3,178 14,182 1,186 3,189 13,193 1,197 1,199 10,203 1,206 1,208 1,211 5,215 2,220 3,222 3,226 2,237 3,259 368,260 11.334,261 11.334,262 11.334,263 11.334,264 11.334,265 10.243,266 12.805,267 6.497,268 11.503,269 9.372,270 9.372,271 9.372,272 9.372,273 9.372,274 7.652,275 12.179,276 3.093,277 9.627,278 4.191,279 2.434,280 1.418,281 1.305,282 1.305,283 1.305,284 3.606,287 1,288 1,289 1,290 262,291 3.606,294 38.447,295 43.966,298 69.345,302 1.247,303 6.132,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 37,315 130,316 4.607,317 3.552,318 7.123,319 4.34,320 3.341,321 4.517,322 0.8,323 11.737,324 3.337,325 4.302,326 3.112,327 6.517,328 4,329 3.013,330 3.585,332 10.221,333 2.975,334 3.43,335 2.576,336 5.15,337 3.184,338 2.249,339 2.736,341 6.105,342 2.116,343 3.15,344 2.131,345 4.645,346 2.908,347 1.942,348 2.214,350 5.025,351 1.862,352 3.035,353 1.651,354 4.618,355 2.622,356 1.642,357 2.179,359 4.853,360 1.607,361 2.666,362 1.28,363 4.109,364 2.214,365 1.228,366 1.735,368 3.342,369 1.21,370 2.171,371 0.878,372 3.292,373 1.758,374 0.8,375 1.054,377 1.851,378 0.764,379 1.57,380 0.438,381 2.908,382 1.337,383 0.364,384 0.433,386 0.85,387 0.353,388 0.817,389 -0.31,390 2.782,391 0.437,392 -0.535,393 -0.665,395 -1.385,396 -0.518,397 0.624,398 -0.6,399 2.213,400 0.161,401 -0.832,402 -1,404 -2,405 -0.825,406 0.149,407 -0.706,408 2,410 -1,411 -1,413 -2.597,414 -0.9,416 -0.937,417 2,419 -1,420 -1,422 -3,423 -1,425 -1,426 2,427 -0.1,428 -1,429 -1.123,431 -3,432 -1,434 -1,435 1.876,436 -0.133,437 -1.096,438 -1.39,440 -3.089,441 -1.052,442 -0.214,443 -1.352,444 1.516,445 -0.607,446 -1.558,447 -1.776,449 -4.34,450 -1.473,451 8.8,452 0.489,453 0.71,454 0.039,455 18.75,456 1.042,457 8,458 0.444,459 10.75,460 0.597,461 17.278,462 0.96,463 20.6,464 0.49,465 11.335,466 0.63,467 3.418,468 0.19,469 4.958,470 0.275,471 0.284,472 0.057,473 0.273,479 1.152,480 1.452,481 1.088,482 1.241,483 1.382,484 1.174,485 1.534,486 0.809,487 0.896,488 0.736,489 0.686,490 0.769,491 0.921,492 1.398,493 1.328,494 1.437,495 1.23,496 1.413,497 0.709,498 0.919,499 0.884,500 0.933,501 0.992,502 0.922,503 0.674,504 0.882,505 0.85,506 0.898,507 0.823,508 0.887,509 1.022,510 1.358,511 1.106,512 1.236,513 0.82,514 1.186,515 2.24,516 1.266,517 1.626,518 1.346,519 1.99,520 1.43,521 0.5,522 0.763,523 0.668,524 0.743,525 0.555,526 0.72,527 5.5,529 2.667,530 1.229,531 0.893,532 0.864,533 0.501,534 0.16,535 0.189,537 2408,538 4046,539 1.919,540 57.1,541 9,542 11,543 1,545 1,547 2,550 1.589,551 1.728,552 2.865,553 -0.389,555 1,559 50.438,560 1.201,561 2.958,562 3.974,563 4.088,564 4.088,565 4.088,566 2.241,567 3.684,568 4.138,569 3.017,570 461.617,571 7.036,572 4334.16,574 1,576 1,577 226.477,578 1.788,579 4.043,580 0.289,582 0.095,583 0.049,584 0.043,585 0.045,586 0.026,587 0.018,588 0.027,590 0.593,591 0.67,592 1,593 1.561,594 75.675,595 0.072,596 -0.159,597 0.049,598 -0.05,599 -0.192,600 -0.01,601 -0.111,602 0.348,603 0.185,604 0.315,605 0.264,606 0.276,607 -0.132,608 -0.26,609 -0.289,610 -0.305,611 -0.2,612 -0.307,613 0.043,614 -0.001,615 0.056,616 0.033,617 -0.029,618 0.043,619 0.181,620 0.055,621 0.105,622 0.067,623 0.059,624 0.079,625 0.046,626 -0.289,627 -0.081,628 -0.2,629 0.174,630 -0.157,631 -0.533,632 -0.189,633 -0.58,634 -0.412,635 -0.661,636 -0.484,637 0.183,638 0.013,639 0.207,640 0.124,641 0.217,642 0.16,643 1.037,644 0.872,645 0.5,646 12.321,647 0.974,648 1.132,649 3.188,650 10.16,651 0.628,652 2.996,653 3.367,654 3.526,655 3.738,656 3.951,657 4.094,658 4.127,659 4.078,660 3.871,661 3.526,662 4.592,663 0.568,664 244.42,665 2.996,666 4.554,667 5.38,668 6.275,669 7.135,670 8.033,671 8.907,672 9.807,673 10.689,674 11.589,675 4.8,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 42,716 10,717 1,718 19,720 43,721 16,722 8,723 3,724 3,730 2,731 3,736 3,737 1,743 1,745 8,746 8,761 1,764 24,765 1,766 1,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,815 1,819 1,823 5,827 18,833 2,838 1,839 1,854 10.417,855 9.033,856 3.806,857 2.486,858 2.086,859 1.337,860 0.933,861 3.602,862 8.285,863 3.219,864 3.855,865 4.438,866 5.051,867 5.574,868 5.965,869 6.318,870 6.577,871 6.367,872 6.221,873 0.8,874 25,875 6.659,877 2.667,878 7.356,879 13.329,881 10.842,883 1.856,884 33.417,885 0.004,888 270.735,889 96.473,890 19.91,895 96.473,896 270.735,897 19.91,898 43.268,899 4.64,900 37.476,902 28.854,903 13.915,904 258.964,906 270.735,907 116.383,911 247.193,912 23.542,915 51.026,916 65.357,919 270.735,920 19.91,921 96.473,924 270.735,925 15.728,926 83.869,927 16.786,929 270.735,930 19.91,931 96.473,933 0.601,934 0.31,935 0.146,936 0.087,937 14,938 7,939 0.093,940 4,941 1,942 1.222,943 2.912,944 125.725,945 0.222,946 9,947 68.304,951 13.318,952 4.868,953 3.025,954 2.626,955 3.124,956 8.932,958 3.372,961 2.825,963 16.786,964 387.118,965 24,975 40.923,976 47.564,977 0.223,978 0.549,979 0.737,980 0.758,981 0.758,982 0.758,983 4.483,984 0.364,985 5.451,986 1.851,987 4.043,988 4.538,989 0.673,990 6.323,991 4.001,992 5.739,993 -0.535,994 7.067,995 0.85,996 4.007,997 4.59,998 0.325,999 7.618,1000 3.966,1001 7.086,1002 -0.832,1003 8.799,1004 -1.385,1005 5.771,1006 6.826,1007 0.379,1008 10.584,1009 5.714,1010 8.473,1011 -1,1012 10.599,1013 -2,1014 6.479,1015 7.669,1016 0.268,1017 12.632,1018 6.431,1019 9.891,1020 -1,1021 12.442,1022 -2.597,1023 7.847,1024 9.469,1025 0.239,1026 15.229,1027 7.791,1028 11.333,1029 -1,1030 14.313,1031 -3,1032 8.844,1033 10.669,1034 0.188,1035 17.53,1036 8.796,1037 12.792,1038 -1.096,1039 16.205,1040 -3,1041 10.086,1042 12.292,1043 0.156,1044 20.018,1045 10.034,1046 3.341,1047 -1.558,1048 18.111,1049 -3.089,1050 11.196,1051 13.657,1052 0.125,1053 22.406,1054 11.148,1055 3.013,1056 11.737,1057 20.027,1058 -4.34,1059 12.396,1060 15.207,1061 0.102,1062 24.861,1063 12.347,1064 2.249,1065 10.221,1066 21.951,1067 4.517,1068 13.552,1069 16.648,1070 0.082,1071 27.284,1072 13.505,1073 1.942,1074 6.105,1075 23.88,1076 3.585,1077 14.741,1078 18.168,1079 0.066,1080 29.731,1081 14.693,1082 1.642,1083 5.025,1084 25.815,1085 2.736,1086 15.916,1087 19.643,1088 0.054,1089 32.168,1090 15.869,1091 1.228,1092 4.853,1093 27.752,1094 2.214,1095 17.104,1096 21.153,1097 0.043,1098 34.615,1099 17.056,1100 0.8,1101 3.342,1102 29.693,1103 2.179,1104 18.288,1105 22.645,1106 0.035,1107 37.059,1108 18.24,1109 2557,1110 3382,1111 11.731,1112 26.387,1113 29.649,1114 29.08,1115 29.646,1116 29.148,1117 29.159,1118 36.906,1119 1.6,1120 87.97,1121 28.448,1122 5.438,1123 5.552,1124 6.503,1125 5.34,1126 5.341,1127 7.517,1128 1.2,1129 18.778,1130 5.337,1131 11.243,1132 1.56,1133 1.531,1134 1.56,1135 1.534,1136 1.535,1137 1.942,1138 0.084,1139 4.63,1140 1.497,1141 4.143,1142 4.176,1143 4.099,1144 4.069,1145 4.962,1146 4.072,1147 3.737,1148 3.796,1149 3.619,1150 3.629,1151 4.409,1152 3.62,1153 3.629,1154 3.717,1155 3.476,1156 3.42,1157 4.313,1158 3.42,1159 3.297,1160 3.367,1161 3.141,1162 3.154,1163 4.05,1164 3.143,1165 3.092,1166 3.19,1167 2.902,1168 2.875,1169 3.784,1170 2.868,1171 2.874,1172 3.009,1173 2.67,1174 2.72,1175 3.502,1176 2.699,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.242,1190 0.187,1191 0.375,1192 0.228,1193 0.176,1194 4.607,1195 0.238,1196 3.552,1197 0.042,1198 7.123,1199 0.618,1200 4.34,1201 0.176,1202 3.341,1203 4.517,1204 0.8,1205 11.737,1206 3.337,1207 1.99,1208 1.967,1209 2.1,1210 2.064,1211 1.326,1212 2.077,1213 1.705,1214 1.646,1215 1.927,1216 1.905,1217 1.183,1218 1.916,1219 1.614,1220 1.552,1221 1.833,1222 1.793,1223 0.971,1224 1.811,1225 1.448,1226 1.365,1227 1.692,1228 1.678,1229 0.781,1230 1.69,1231 1.083,1232 0.989,1233 1.417,1234 1.34,1235 0.505,1236 1.375,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.406,1252 1.239,1253 0.469,1254 1.308,1255 3.664,1257 5.017,1258 2.398,1259 6.541,1260 4.727,1261 8.145,1262 6.823,1263 9.798,1265 11.034,1271 2.188,1276 2.229,1277 0.213,1280 23.838,1281 50.438,1282 124.257,1283 166.928,1284 171.683,1285 171.683,1286 171.683,1287 24.201,1288 6.198,1289 19.03,1290 19.03,1291 11,1292 12.115,1293 3.459,1294 2.585,1295 30.926,1296 48,1297 49,1298 0.328,1299 151.34,1300 250.28,1301 361.03,1302 3082,1304 13.336,1305 0.741,1306 0.676,1307 13.336,1308 12.171,1309 8.376,1310 0.441,1311 0.349,1312 6.571,1313 8.189,1314 6.12,1315 5.256,1316 8.376,1317 6.63,1318 8.609,1319 0.307,1320 0.228,1321 8.609,1322 6.378,1323 5.901,1324 0.179,1325 0.105,1326 5.901,1327 3.462,1328 4.539,1329 0.111,1330 0.054,1331 4.539,1332 2.196,1333 3.63,1334 0.071,1335 0.03,1336 3.63,1337 1.536,1338 0.495,1339 51.492,1340 0.292,1341 17.834,1342 0.954,1343 94,1344 175.978,1345 97.136,1346 181.808,1347 255.06,1348 170,1349 108,1350 192.38,1351 111.83,1352 206.786,1353 294.67,1354 189,1355 9.357} {0 CHEMBL423127,1 1.406,2 12.758,3 4.499,4 20.237,5 132.228,6 6.452,7 0.278,8 4.308,9 4.442,10 3.748,11 3.835,12 5.268,13 3.782,14 4.928,15 5.133,16 4.137,17 4.288,18 5.794,19 4.205,20 5.261,21 5.491,22 4.244,23 4.507,24 6.131,25 4.391,26 5.437,27 5.705,28 4.251,29 4.544,30 6.373,31 4.4,32 5.392,33 5.653,34 4.053,35 4.47,36 6.281,37 4.31,38 5.325,39 5.606,40 3.975,41 4.412,42 6.075,43 4.228,44 5.312,45 5.612,46 3.916,47 4.351,48 6.059,49 4.162,50 5.192,51 5.478,52 3.915,53 4.295,54 5.939,55 4.131,56 0.051,57 1.001,58 16.621,59 6.92,60 9.766,61 9.829,62 0.301,63 1.693,64 31.64,65 11.824,66 24.627,67 17.392,68 0.35,69 2.2,70 44.443,71 16.066,72 45.274,73 23.63,74 0.6,75 2.386,76 53.444,77 18.692,78 95.354,79 27.644,80 0.666,81 2.229,82 51.701,83 17.479,84 97.651,85 25.451,86 0.404,87 2.121,88 47.273,89 17.197,90 58.26,91 25.453,92 0.607,93 2.039,94 47.099,95 16.16,96 65.951,97 24.449,98 0.35,99 1.888,100 41.452,101 14.488,102 41.938,103 21.877,104 42,105 52,106 0.222,107 0.507,108 0.728,109 0.826,110 0.845,111 0.845,112 3.532,113 1.039,114 -4.08,115 -4.02,116 -3.81,119 38.6,120 3,121 8,123 1,125 3,127 1,140 2,141 4,149 1,150 1,153 1,156 2,169 14,171 2,172 10,176 3,178 17,182 9,186 2,189 11,192 1,193 13,195 1,197 2,199 12,202 1,203 7,208 1,211 14,215 3,218 1,220 1,222 12,225 3,226 6,233 10,237 4,242 2,244 6,249 12,254 2,256 8,259 2026,260 22.102,261 22.102,262 22.102,263 22.102,264 22.102,265 20.639,266 23.46,267 12.84,268 22.304,269 17.666,270 17.666,271 17.666,272 17.666,273 17.666,274 15.203,275 24.462,276 5.883,277 17.973,278 4.723,279 2.918,280 1.515,281 0.889,282 0.775,283 0.775,284 4.224,289 1,290 907,291 4.183,294 75.403,295 277.344,298 128.454,299 134.713,302 1.855,303 34.522,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 70.5,315 421,316 4.687,317 3.967,318 6.919,319 4.304,320 3.309,321 4.646,322 2.049,323 11.66,324 3.292,325 4.382,326 3.408,327 6.843,328 4.258,329 3.266,330 3.515,331 1.798,332 11.394,333 3.241,334 3.964,335 3.364,336 6.229,337 3.781,338 2.829,339 3.365,340 0.8,341 9.135,342 2.702,343 3.834,344 3.087,345 6.165,346 3.684,347 2.716,348 2.899,349 0.314,350 9.115,351 2.62,352 3.697,353 3.054,354 5.828,355 3.44,356 2.46,357 2.836,359 7.947,360 2.4,361 3.418,362 2.868,363 5.112,364 2.971,365 1.982,366 2.726,368 5.898,369 1.961,370 3.303,371 2.506,372 4.956,373 2.932,374 1.879,375 2.414,377 5.321,378 1.955,379 2.96,380 2.006,381 4.648,382 2.696,383 1.706,384 2.098,386 4.689,387 1.687,388 2.747,389 1.959,390 4.419,391 2.603,392 1.603,393 1.75,395 4.277,396 1.602,397 2.542,398 1.697,399 3.824,400 2.468,401 1.482,402 1.53,404 3.272,405 1.457,406 2.395,407 1.597,408 3.7,409 2.027,410 1.039,411 1.27,413 2.165,414 1.023,415 2.118,416 1.388,417 3.388,418 1.86,419 0.87,420 1.069,422 2.11,423 0.852,424 2.066,425 0.971,426 3.314,427 1.802,428 0.822,429 0.942,431 1.913,432 0.805,433 1.971,434 0.915,435 3.209,436 1.604,437 0.606,438 0.666,440 1.257,441 0.6,442 1.718,443 0.764,444 3.018,445 1.394,446 0.318,447 0.5,449 0.501,450 0.339,451 15.7,452 0.476,453 0.933,454 0.028,455 33.25,456 1.008,457 12.5,458 0.379,459 20.75,460 0.629,461 40.372,462 1.223,463 37.7,464 0.539,465 24.511,466 0.743,467 5.708,468 0.173,469 10.117,470 0.307,471 0.159,472 0.032,473 0.306,479 0.636,480 1.442,481 0.916,482 1.233,483 0.491,484 1.124,485 0.656,486 1.129,487 0.902,488 1.014,489 0.505,490 0.984,491 0.927,492 1.148,493 1.067,494 1.119,495 0.763,496 1.102,497 0.826,498 1.014,499 0.918,500 1.008,501 0.764,502 0.977,503 1.411,504 0.953,505 1.19,506 0.992,507 1.449,508 1.058,509 0.725,510 1.08,511 0.974,512 1.082,513 0.715,514 1.066,515 0.722,516 0.887,517 0.907,518 0.885,519 0.715,520 0.914,521 0.725,522 0.965,523 0.924,524 0.964,525 0.58,526 0.958,527 7.5,528 0.226,529 4.444,530 2.972,531 2.058,532 0.924,533 0.66,534 0.561,535 0.428,536 0.308,537 15793,538 35156,539 2.036,540 52.9,541 11,542 9,543 1,544 1,545 1,546 4,547 10,550 1.751,551 1.877,552 3.581,553 -0.412,559 98.408,560 1.406,561 3.211,562 4.614,563 5.24,564 5.354,565 5.354,566 3.021,567 4.56,568 5.02,569 3.823,570 2018.4,571 8.783,572 30926.5,577 429.05,578 1.628,579 4.954,580 0.208,581 0.007,582 0.085,583 0.054,584 0.039,585 0.022,586 0.017,587 0.015,588 0.011,589 0.008,590 0.467,591 0.33,592 1,593 0.998,594 176.431,595 0.001,596 -0.144,597 0.055,598 -0.03,599 0.012,600 0.01,601 0.081,602 0.046,603 0.076,604 0.068,605 0.038,606 0.07,607 -0.077,608 -0.049,609 -0.085,610 -0.079,611 -0.031,612 -0.079,613 0.095,614 -0.03,615 0.06,616 -0.022,617 0.131,618 0.012,619 -0.187,620 0.021,621 -0.178,622 -0.023,623 -0.158,624 -0.091,625 0.011,626 -0.12,627 -0.023,628 -0.09,629 -0.017,630 -0.068,631 0.079,632 0.053,633 0.054,634 0.064,635 -0.002,636 0.054,637 -0.01,638 0.024,639 0.032,640 0.009,641 -0.008,642 0.028,643 1.688,644 5.42,645 0.576,646 32.964,647 0.99,648 1.131,649 2.846,650 8.098,651 0.633,652 3.611,653 3.97,654 4.248,655 4.554,656 4.745,657 4.86,658 4.92,659 5.081,660 5.153,661 5.17,662 7.73,663 0.588,664 451.67,665 3.611,666 5.176,667 6.038,668 6.944,669 7.824,670 8.735,671 9.621,672 10.534,673 11.425,674 12.339,675 4.3,678 1,682 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 70,716 13,717 1,718 36,720 73,721 27,722 8,723 4,724 2,725 1,730 4,731 7,736 3,737 1,739 1,740 6,743 9,745 11,746 16,750 3,755 3,757 1,759 2,764 37,765 5,766 1,767 6,773 3,775 1,777 0.5,778 3,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 3,827 33,833 11,837 1,838 2,839 1,847 4.3,850 3,854 17.583,855 13.317,856 7.278,857 4.779,858 2.282,859 1.283,860 0.951,861 7.283,862 10.341,863 3.807,864 4.347,865 4.889,866 5.487,867 5.923,868 6.296,869 6.623,870 7.018,871 7.122,872 7.255,873 1,874 55,875 12.368,877 5.332,878 7.689,879 24.294,881 20.901,883 2.189,884 72.25,888 423.76,889 116.176,890 23.034,892 75.435,895 116.176,896 499.194,897 23.034,898 26.476,899 29.718,900 28,901 108.039,902 32.04,903 13.915,904 400.217,906 423.76,907 139.21,908 75.435,911 306.049,912 193.146,915 76.103,916 51.683,917 11.424,919 423.76,920 98.469,921 116.176,924 423.76,925 50.276,926 72.148,927 16.786,928 75.435,929 423.76,930 98.469,931 116.176,933 0.584,934 0.346,935 0.198,936 0.103,937 25,938 12,939 0.123,940 9,941 2,942 1.211,943 4.3,944 305.063,945 0.211,946 19,947 158.465,951 24.009,952 10.01,953 5.189,954 2.131,955 81.683,956 6.113,958 3.239,961 3.437,963 16.786,964 638.405,965 44,970 36.429,972 0.955,974 -0.042,975 69.309,976 79.182,977 0.229,978 0.524,979 0.753,980 0.855,981 0.874,982 0.874,983 5.091,984 1.706,985 6.066,986 5.321,987 4.654,988 5.034,989 2.666,990 6.944,991 4.624,992 6.293,993 1.603,994 7.671,995 4.689,996 4.443,997 4.997,998 2.262,999 8.113,1000 4.401,1001 7.619,1002 1.482,1003 9.382,1004 4.277,1005 6.351,1006 7.199,1007 3.635,1008 11.163,1009 6.286,1010 8.978,1011 1.039,1012 11.154,1013 3.272,1014 6.938,1015 8.012,1016 3.801,1017 13.105,1018 6.866,1019 10.374,1020 0.87,1021 12.965,1022 2.165,1023 8.362,1024 9.76,1025 4.828,1026 15.729,1027 8.272,1028 11.793,1029 0.822,1030 14.801,1031 2.11,1032 9.288,1033 10.965,1034 5.253,1035 17.964,1036 9.195,1037 13.231,1038 0.606,1039 16.653,1040 1.913,1041 10.543,1042 12.563,1043 6.115,1044 20.457,1045 10.438,1046 3.309,1047 0.318,1048 18.519,1049 1.257,1050 11.613,1051 13.949,1052 6.671,1053 22.81,1054 11.507,1055 3.266,1056 11.66,1057 20.394,1058 0.501,1059 12.811,1060 15.499,1061 7.451,1062 25.263,1063 12.698,1064 2.829,1065 11.394,1066 22.277,1067 4.646,1068 13.942,1069 16.968,1070 8.077,1071 27.665,1072 13.828,1073 2.716,1074 9.135,1075 24.165,1076 3.515,1077 15.123,1078 18.504,1079 8.816,1080 30.107,1081 15.004,1082 2.46,1083 9.115,1084 26.059,1085 3.365,1086 16.281,1087 20.009,1088 9.479,1089 32.531,1090 16.161,1091 1.982,1092 7.947,1093 27.958,1094 2.899,1095 17.46,1096 21.542,1097 10.201,1098 34.972,1099 17.337,1100 1.879,1101 5.898,1102 29.859,1103 2.836,1104 18.631,1105 23.063,1106 10.885,1107 37.407,1108 18.506,1109 15147,1110 22729,1111 23.463,1112 44.324,1113 54.937,1114 57.849,1115 56.477,1116 53.814,1117 53.79,1118 64.468,1119 9.923,1120 161.34,1121 53.088,1122 5.687,1123 5.967,1124 6.693,1125 5.341,1126 5.309,1127 7.646,1128 3.493,1129 18.968,1130 5.292,1131 19.276,1132 1.526,1133 1.607,1134 1.569,1135 1.495,1136 1.494,1137 1.791,1138 0.276,1139 4.482,1140 1.475,1141 4.167,1142 4.197,1143 4.127,1144 4.094,1145 7.453,1146 4.098,1147 3.937,1148 3.98,1149 3.856,1150 3.79,1151 7.442,1152 3.796,1153 3.816,1154 3.878,1155 3.708,1156 3.665,1157 7.411,1158 3.667,1159 3.639,1160 3.7,1161 3.504,1162 3.512,1163 4.934,1164 3.501,1165 3.56,1166 3.636,1167 3.39,1168 3.41,1169 4.385,1170 3.393,1171 3.381,1172 3.445,1173 3.238,1174 3.235,1175 4.281,1176 3.228,1177 3.32,1178 3.368,1179 3.189,1180 3.121,1181 4.218,1182 3.131,1183 3.166,1184 3.202,1185 3.084,1186 2.933,1187 4.045,1188 2.958,1189 0.13,1190 0.11,1191 0.192,1192 0.12,1193 0.092,1194 4.687,1195 0.129,1196 3.967,1197 0.057,1198 6.919,1199 0.324,1200 4.304,1201 0.091,1202 3.309,1203 4.646,1204 2.049,1205 11.66,1206 3.292,1207 2.032,1208 2.008,1209 2.14,1210 2.116,1211 1.481,1212 2.126,1213 1.877,1214 1.836,1215 2.055,1216 2.047,1217 1.366,1218 2.047,1219 1.748,1220 1.686,1221 1.969,1222 1.926,1223 1.286,1224 1.942,1225 1.601,1226 1.533,1227 1.881,1228 1.787,1229 1.157,1230 1.82,1231 1.556,1232 1.515,1233 1.757,1234 1.765,1235 1.005,1236 1.761,1237 1.525,1238 1.464,1239 1.679,1240 1.682,1241 0.831,1242 1.695,1243 1.31,1244 1.241,1245 1.58,1246 1.562,1247 0.758,1248 1.572,1249 1.168,1250 1.096,1251 1.464,1252 1.398,1253 0.665,1254 1.423,1255 4.29,1257 5.638,1258 2.398,1259 7.182,1260 4.727,1261 8.824,1262 6.843,1263 10.52,1265 6.195,1271 9.489,1275 0.455,1276 4.063,1277 -0.214,1280 41.164,1281 98.408,1282 224.785,1283 323.011,1284 366.785,1285 374.785,1286 374.785,1287 80.174,1288 8.06,1289 73.48,1290 73.48,1291 23,1292 12.856,1293 3.807,1294 3.17,1295 54.515,1296 152,1297 141,1298 0.169,1299 252.07,1300 445.31,1301 606.811,1302 39109,1304 23.587,1305 0.715,1306 0.615,1307 23.587,1308 20.284,1309 15.825,1310 0.44,1311 0.346,1312 12.352,1313 15.343,1314 11.941,1315 9.928,1316 15.825,1317 12.47,1318 14.682,1319 0.282,1320 0.204,1321 14.682,1322 10.584,1323 11.912,1324 0.173,1325 0.107,1326 11.912,1327 7.361,1328 10.731,1329 0.114,1330 0.061,1331 10.731,1332 5.71,1333 7.958,1334 0.07,1335 0.036,1336 7.958,1337 4.131,1338 0.27,1339 98.377,1340 0.206,1341 30.816,1342 0.451,1343 176,1344 438.83,1345 188.751,1346 422.099,1347 569.64,1348 394,1349 209,1350 407.958,1351 221.976,1352 415.148,1353 609.42,1354 390,1355 8.009} {0 CHEMBL423212,1 1.459,2 14.226,3 3.769,4 14.202,5 131.786,6 7.126,7 0.571,8 4.204,9 4.342,10 3.793,11 3.763,12 5.166,13 3.705,14 4.779,15 4.982,16 4.131,17 4.195,18 5.624,19 4.104,20 5.023,21 5.261,22 4.032,23 4.317,24 5.752,25 4.172,26 5.158,27 5.429,28 4.009,29 4.363,30 5.851,31 4.186,32 5.186,33 5.481,34 3.952,35 4.329,36 5.828,37 4.123,38 5.073,39 5.365,40 3.912,41 4.227,42 5.742,43 4.041,44 4.915,45 5.174,46 3.827,47 4.124,48 5.656,49 3.955,50 4.91,51 5.208,52 3.612,53 4.008,54 5.582,55 3.822,56 0.084,57 0.976,58 14.488,59 5.699,60 12.255,61 7.923,62 0.277,63 1.61,64 28.339,65 9.68,66 19.621,67 13.639,68 0.268,69 1.876,70 37.863,71 13.309,72 22.477,73 18.893,74 0.299,75 2.012,76 41.015,77 15.321,78 29.097,79 22.13,80 0.315,81 2,82 46.68,83 16.768,84 30.698,85 23.436,86 0.345,87 1.826,88 42.254,89 14.21,90 28.39,91 19.957,92 0.279,93 1.631,94 35.152,95 12.122,96 25.31,97 17.125,98 0.309,99 1.516,100 32.7,101 11,102 26.322,103 16.365,104 2,105 48,106 0.234,107 0.578,108 0.783,109 0.836,110 0.85,111 0.85,112 3.471,113 1.032,114 -5.01,115 -4.91,116 -4.6,119 39.3,121 4,124 1,125 4,127 1,140 5,141 2,142 1,149 2,150 2,158 2,164 1,169 6,171 2,172 7,176 3,178 8,182 5,186 3,189 5,192 1,193 7,197 1,199 5,203 6,206 1,211 8,215 5,218 1,222 5,226 6,229 2,233 2,236 1,237 5,242 2,244 2,249 1,256 4,259 1653,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.276,266 28.287,267 12.891,268 22.241,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.908,275 38.17,276 6.149,277 18.374,278 4.471,279 2.329,280 1.051,281 0.726,282 0.635,283 0.635,284 4.183,289 1,290 990,291 3.317,294 267.673,295 198.731,298 141.138,302 2.233,303 11.008,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 441,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.138,327 6.095,328 3.797,329 2.859,330 3.731,331 0.8,332 8.884,333 2.684,334 3.988,335 2.886,336 6.06,337 3.689,338 2.752,339 3.492,340 0.172,341 8.729,342 2.577,343 3.742,344 2.809,345 5.381,346 3.444,347 2.53,348 2.816,350 7.086,351 2.302,352 3.446,353 2.54,354 5.266,355 3.236,356 2.321,357 2.79,359 6.682,360 2.121,361 3.359,362 2.184,363 5.126,364 3.009,365 2.031,366 2.593,368 6,369 1.977,370 3.246,371 1.795,372 4.514,373 2.731,374 1.777,375 2.382,377 4.655,378 1.691,379 2.747,380 1.623,381 4.14,382 2.434,383 1.477,384 1.851,386 3.655,387 1.409,388 2.674,389 1.363,390 4.101,391 2.287,392 1.31,393 1.722,395 3.458,396 1.276,397 2.436,398 1.213,399 3.469,400 2.094,401 1.134,402 1.415,404 2.538,405 1.084,406 2.321,407 1.103,408 3.414,409 1.984,410 1,411 1.28,413 2.281,414 0.983,415 2.175,416 1.077,417 3.341,418 1.945,419 1,420 1.11,422 2.275,423 0.936,424 2.118,425 0.919,426 3.299,427 1.844,428 0.881,429 1,431 2.074,432 0.846,433 2.118,434 0.654,435 3.167,436 1.548,437 0.618,438 0.927,440 1.436,441 0.564,442 2,443 0.618,444 3,445 1.518,446 0.618,447 0.927,449 1.372,450 0.556,451 15.233,452 0.491,453 0.585,454 0.019,455 36.75,456 1.185,457 16,458 0.516,459 20.75,460 0.669,461 30.112,462 0.971,463 33.367,464 0.547,465 23.538,466 0.759,467 6.864,468 0.221,469 8.395,470 0.271,471 0.033,473 0.276,479 0.895,480 1.392,481 0.805,482 1.049,483 0.67,484 1.006,485 1.332,486 0.993,487 0.98,488 0.886,489 0.809,490 0.917,491 1.026,492 1.12,493 1.123,494 1.155,495 0.752,496 1.133,497 0.791,498 0.984,499 0.843,500 0.963,501 0.726,502 1.063,503 0.653,504 0.945,505 0.931,506 1.001,507 0.718,508 0.968,509 0.951,510 0.875,511 0.989,512 0.926,513 0.793,514 0.898,515 0.819,516 1.157,517 1.106,518 1.206,519 0.897,520 1.145,521 1.071,522 0.873,523 0.841,524 0.84,525 1.194,526 0.972,527 5,528 0.107,529 3.333,530 1.354,531 1.081,532 0.903,533 0.434,534 0.268,535 0.161,536 0.163,537 16520,538 37268,539 2.2,540 49.2,541 2,542 17,543 2,544 2,545 1,547 2,548 4,550 1.729,551 2.138,552 3.78,553 -0.361,559 89.019,560 1.459,561 3.601,562 4.879,563 5.205,564 5.295,565 5.295,566 3.244,567 4.438,568 4.927,569 3.993,570 1856.68,571 8.562,572 28442.5,574 1,577 361.775,578 1.058,579 4.918,580 0.143,581 0.004,582 0.069,583 0.031,584 0.027,585 0.024,586 0.012,587 0.008,588 0.006,589 0.007,590 0.333,591 0.17,592 0.88,593 0.32,594 165.804,595 0.135,596 -0.184,597 0.099,598 -0.033,599 0.255,600 -0.004,601 -0.094,602 0.149,603 -0.008,604 0.094,605 0.063,606 0.048,607 -0.122,608 -0.101,609 -0.165,610 -0.154,611 -0.01,612 -0.135,613 0.002,614 -0.055,615 -0.018,616 -0.047,617 0.048,618 -0.073,619 0.097,620 -0.054,621 0.053,622 0.002,623 0.112,624 0.042,625 -0.004,626 0.058,627 0.035,628 0.069,629 0.06,630 0.089,631 0.084,632 -0.18,633 -0.109,634 -0.199,635 0.007,636 -0.149,637 -0.066,638 0.039,639 -0.014,640 0.019,641 -0.178,642 -0.019,643 0.622,644 0.927,645 0.806,646 36.633,647 0.988,648 1.129,649 3.779,650 14.28,651 0.669,652 3.584,653 3.892,654 4.174,655 4.419,656 4.533,657 4.654,658 4.779,659 4.875,660 4.927,661 4.984,662 8.457,663 0.617,664 434.67,665 3.584,666 5.118,667 5.969,668 6.834,669 7.697,670 8.567,671 9.434,672 10.307,673 11.178,674 12.053,675 9.8,678 2,683 2,685 2,687 2,688 9,689 2,690 1,692 1,693 3,694 1,695 20,714 61,716 20,717 1,718 35,720 65,721 24,722 14,723 3,724 3,730 5,731 6,740 3,743 5,745 14,746 10,764 30,765 4,766 1,767 7,768 1,773 6,777 0.8,788 1,792 3,793 2,796 1,815 2,819 4,821 1,823 1,827 31,833 8,837 1,838 2,842 1,844 1,854 14.5,855 11,856 6.778,857 3.808,858 3.291,859 1.408,860 1.014,861 6.487,862 11.367,863 3.829,864 4.404,865 4.993,866 5.573,867 5.905,868 6.32,869 6.771,870 7.187,871 7.377,872 7.598,873 1,874 43,875 11.465,877 4.815,878 7.371,879 22.989,881 19.483,883 1.871,884 58,888 341.362,889 151.568,890 58.259,894 31.278,895 120.29,896 341.362,897 58.259,898 8.396,899 18.561,900 64.078,901 74.105,902 33.449,903 27.045,904 325.555,906 341.362,907 178.549,909 31.278,911 270.735,912 70.627,915 60.731,916 84.492,917 33.326,918 31.278,919 341.362,920 58.259,921 151.568,924 341.362,925 61.856,926 97.859,927 16.786,928 33.326,929 341.362,930 58.259,931 151.568,933 0.577,934 0.339,935 0.183,936 0.085,937 24,938 9,939 0.123,940 8,941 1,942 1.08,943 4.547,944 272.763,945 0.08,946 25,947 145.58,948 1,951 20.866,952 9.638,953 4.919,954 2.501,955 39.575,956 18.721,957 7.843,958 3.427,960 1.864,961 3.971,962 1.954,963 16.786,964 551.189,965 45,975 60.29,976 68.892,977 0.246,978 0.607,979 0.823,980 0.878,981 0.893,982 0.893,983 5.056,984 1.477,985 5.927,986 4.655,987 4.575,988 5.091,989 1.242,990 6.703,991 4.466,992 6.228,993 1.31,994 7.459,995 3.655,996 4.007,997 4.732,998 0.57,999 7.516,1000 3.84,1001 7.51,1002 1.134,1003 9.09,1004 3.458,1005 6.133,1006 7.254,1007 0.883,1008 10.605,1009 5.929,1010 8.832,1011 1,1012 10.783,1013 2.538,1014 6.463,1015 7.879,1016 0.581,1017 12.287,1018 6.204,1019 10.191,1020 1,1021 12.515,1022 2.281,1023 7.97,1024 9.763,1025 0.68,1026 14.853,1027 7.687,1028 11.577,1029 0.881,1030 14.275,1031 2.275,1032 8.703,1033 10.848,1034 0.515,1035 16.887,1036 8.379,1037 12.983,1038 0.618,1039 16.055,1040 2.074,1041 9.965,1042 12.486,1043 0.541,1044 19.282,1045 9.621,1046 3.118,1047 0.618,1048 17.848,1049 1.436,1050 10.889,1051 13.791,1052 0.441,1053 21.471,1054 10.518,1055 2.859,1056 10.431,1057 19.653,1058 1.372,1059 12.05,1060 15.335,1061 0.438,1062 23.809,1063 11.662,1064 2.752,1065 8.884,1066 21.467,1067 4.518,1068 13.066,1069 16.744,1070 0.373,1071 26.069,1072 12.66,1073 2.53,1074 8.729,1075 23.288,1076 3.731,1077 14.189,1078 18.255,1079 0.358,1080 28.392,1081 13.768,1082 2.321,1083 7.086,1084 25.116,1085 3.492,1086 15.251,1087 19.712,1088 0.314,1089 30.687,1090 14.817,1091 2.031,1092 6.682,1093 26.948,1094 2.816,1095 16.362,1096 21.213,1097 0.296,1098 33.009,1099 15.915,1100 1.777,1101 6,1102 28.785,1103 2.79,1104 17.448,1105 22.694,1106 0.264,1107 35.322,1108 16.991,1109 15018,1110 22747,1111 24.444,1112 40.819,1113 52.89,1114 51.722,1115 52.103,1116 52.021,1117 52.03,1118 66.702,1119 3.778,1120 145.86,1121 49.148,1122 5.568,1123 5.197,1124 6.18,1125 5.178,1126 5.118,1127 7.518,1128 1.605,1129 17.096,1130 5.062,1131 7.461,1132 1.511,1133 1.478,1134 1.489,1135 1.486,1136 1.487,1137 1.906,1138 0.108,1139 4.167,1140 1.404,1141 4.154,1142 4.192,1143 4.22,1144 4.062,1145 5.135,1146 4.07,1147 3.934,1148 3.986,1149 4.111,1150 3.92,1151 4.927,1152 3.844,1153 3.835,1154 3.905,1155 3.79,1156 3.712,1157 4.678,1158 3.701,1159 3.807,1160 3.843,1161 3.758,1162 3.586,1163 4.375,1164 3.623,1165 3.555,1166 3.625,1167 3.423,1168 3.396,1169 4.257,1170 3.394,1171 3.369,1172 3.45,1173 3.25,1174 3.175,1175 4.101,1176 3.181,1177 3.25,1178 3.326,1179 3.104,1180 3.066,1181 3.885,1182 3.062,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.685,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.197,1197 0.026,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.072,1210 2.063,1211 1.439,1212 2.07,1213 1.861,1214 1.799,1215 2.031,1216 2.041,1217 1.28,1218 2.04,1219 1.68,1220 1.625,1221 1.885,1222 1.853,1223 1.123,1224 1.869,1225 1.568,1226 1.525,1227 1.754,1228 1.736,1229 0.995,1230 1.748,1231 1.425,1232 1.39,1233 1.62,1234 1.654,1235 0.825,1236 1.638,1237 1.398,1238 1.334,1239 1.571,1240 1.557,1241 0.756,1242 1.582,1243 1.315,1244 1.261,1245 1.513,1246 1.481,1247 0.665,1248 1.504,1249 1.176,1250 1.098,1251 1.48,1252 1.442,1253 0.598,1254 1.429,1255 4.263,1257 5.572,1258 3.434,1259 7.059,1260 5.638,1261 8.627,1262 7.591,1263 10.243,1265 2.283,1271 9.535,1275 0.711,1276 5.19,1280 37.637,1281 89.019,1282 219.688,1283 297.636,1284 317.51,1285 323.02,1286 323.02,1287 36.884,1288 8.075,1289 52.98,1290 81.22,1291 27,1292 12.593,1293 4.392,1294 3.459,1295 44.061,1296 161,1297 138,1298 0.131,1299 232.497,1300 381.75,1301 559.053,1302 43588,1304 21.045,1305 0.679,1306 0.609,1307 21.399,1308 18.891,1309 15.259,1310 0.436,1311 0.344,1312 11.099,1313 14.239,1314 10.751,1315 8.891,1316 15.713,1317 12.041,1318 13.454,1319 0.28,1320 0.2,1321 14.064,1322 9.616,1323 11.732,1324 0.183,1325 0.116,1326 12.349,1327 7.415,1328 9.774,1329 0.119,1330 0.067,1331 10.398,1332 5.489,1333 6.905,1334 0.075,1335 0.038,1336 7.209,1337 3.479,1338 0.215,1339 99.397,1340 0.202,1341 30.026,1342 0.334,1343 166,1344 383.419,1345 199.467,1346 400.967,1347 563.91,1348 380,1349 195,1350 413.876,1351 225.109,1352 437.031,1353 631.9,1354 410,1355 8.412} {0 CHEMBL423599,1 1.455,2 14.121,3 2.746,4 7.541,5 132.74,6 7.026,7 0.568,8 4.236,9 4.372,10 3.77,11 3.767,12 5.263,13 3.737,14 4.799,15 4.996,16 4.11,17 4.19,18 5.736,19 4.132,20 5.051,21 5.278,22 4.059,23 4.33,24 5.896,25 4.212,26 5.171,27 5.435,28 4.035,29 4.344,30 5.973,31 4.204,32 5.166,33 5.441,34 4.066,35 4.324,36 5.971,37 4.191,38 5.132,39 5.38,40 4.076,41 4.318,42 6.041,43 4.2,44 5.151,45 5.418,46 3.953,47 4.288,48 5.976,49 4.137,50 5.073,51 5.367,52 3.712,53 4.146,54 5.803,55 3.965,56 0.067,57 0.984,58 13.894,59 5.526,60 11.285,61 7.853,62 0.302,63 1.602,64 26.231,65 9.171,66 23.915,67 13.467,68 0.272,69 1.876,70 34.698,71 12.778,72 31.629,73 18.56,74 0.368,75 1.994,76 40.581,77 14.38,78 45.672,79 21.221,80 0.355,81 1.966,82 40.646,83 14.435,84 41.015,85 21.395,86 0.414,87 1.922,88 38.974,89 13.465,90 52.804,91 19.657,92 0.422,93 1.941,94 40.006,95 13.946,96 49.627,97 20.601,98 0.339,99 1.72,100 37.695,101 12.891,102 43.689,103 19.469,104 6,105 51,106 0.231,107 0.569,108 0.769,109 0.86,110 0.867,111 0.867,112 3.531,113 0.942,114 -4.92,115 -4.82,116 -4.52,119 41.3,120 1,121 2,122 1,125 5,140 8,141 3,142 1,149 1,150 1,156 1,158 2,164 1,169 11,171 3,172 9,176 3,178 10,182 6,186 3,189 7,192 1,193 10,199 7,203 10,206 2,211 9,214 1,215 8,222 8,225 1,226 7,229 2,231 2,233 6,237 4,244 5,248 2,249 5,252 1,256 6,259 1955,260 22.739,261 22.739,262 22.739,263 22.739,264 22.739,265 20.118,266 25.824,267 13.583,268 23.133,269 18.32,270 18.32,271 18.32,272 18.32,273 18.32,274 14.462,275 28.976,276 6.515,277 18.966,278 4.523,279 2.399,280 1.135,281 0.564,282 0.52,283 0.52,284 4.24,289 1,290 1034,291 3.742,294 272.669,295 221.266,298 148.63,302 2.125,303 18.562,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70,315 466,316 4.569,317 3.68,318 6.566,319 4.1,320 3.119,321 4.518,322 1.943,323 10.433,324 3.062,325 4.129,326 3.202,327 6.096,328 3.832,329 2.873,330 3.732,331 0.8,332 8.885,333 2.755,334 4.025,335 2.967,336 6.024,337 3.692,338 2.755,339 3.469,340 0.736,341 8.708,342 2.584,343 3.796,344 2.868,345 5.605,346 3.603,347 2.645,348 3.018,349 0.079,350 7.701,351 2.541,352 3.658,353 2.765,354 5.264,355 3.361,356 2.369,357 2.823,359 6.641,360 2.34,361 3.422,362 2.298,363 5.134,364 3.044,365 2.062,366 2.684,368 6.041,369 2.019,370 3.249,371 2.133,372 4.845,373 2.823,374 1.859,375 2.583,377 5.427,378 1.783,379 2.97,380 1.817,381 4.514,382 2.72,383 1.763,384 2.079,386 4.654,387 1.682,388 2.906,389 1.784,390 4.122,391 2.489,392 1.486,393 1.974,395 3.426,396 1.488,397 2.725,398 1.452,399 3.762,400 2.25,401 1.272,402 1.819,404 3.18,405 1.242,406 2.5,407 1.309,408 3.504,409 2.05,410 1.058,411 1.5,413 2.508,414 1.04,415 2.407,416 1.022,417 3.361,418 2,419 1,420 1.364,422 2.193,423 1,424 2.321,425 1,426 3.287,427 1.913,428 0.949,429 1.227,431 2.136,432 0.912,433 2.13,434 0.871,435 3.247,436 1.75,437 0.779,438 0.993,440 1.863,441 0.754,442 2.118,443 0.756,444 3.234,445 1.645,446 0.68,447 0.927,449 1.649,450 0.654,451 15.733,452 0.477,453 0.691,454 0.021,455 41.5,456 1.258,457 19.5,458 0.591,459 22,460 0.667,461 29.919,462 0.907,463 35.267,464 0.56,465 30.07,466 0.911,467 8.173,468 0.248,469 7.98,470 0.242,471 0.053,473 0.299,479 0.755,480 1.421,481 0.823,482 1.141,483 0.528,484 1.012,485 0.963,486 1.036,487 0.967,488 0.944,489 0.568,490 0.943,491 1.051,492 1.13,493 1.133,494 1.159,495 0.983,496 1.158,497 0.972,498 0.999,499 1.008,500 1.027,501 1.015,502 1.027,503 0.79,504 0.93,505 0.858,506 0.951,507 0.796,508 0.919,509 1.246,510 1.023,511 1.04,512 1.019,513 1.534,514 1.017,515 0.985,516 0.996,517 1.075,518 1.076,519 1.081,520 1.089,521 0.912,522 0.968,523 1.017,524 1.008,525 0.934,526 1.024,527 6,528 0.158,529 3.111,530 1.639,531 1.379,532 1,533 0.683,534 0.288,535 0.238,536 0.135,537 18266,538 42811,539 2.168,540 47.6,542 18,543 1,544 2,545 1,546 3,547 4,548 1,550 1.749,551 2.084,552 3.77,553 -0.382,559 91.641,560 1.455,561 3.579,562 4.842,563 5.414,564 5.457,565 5.457,566 3.219,567 4.681,568 5.018,569 3.967,570 2094.4,571 8.765,572 33007.2,574 1,577 376.569,578 1.182,579 4.999,580 0.162,581 0.005,582 0.061,583 0.036,584 0.031,585 0.022,586 0.015,587 0.007,588 0.008,589 0.005,590 0.352,591 0.17,592 0.88,593 0.551,594 178.608,595 0.074,596 -0.199,597 0.081,598 -0.077,599 0.061,600 -0.013,601 0.021,602 0.115,603 -0.014,604 0.053,605 0.064,606 0.024,607 -0.138,608 -0.104,609 -0.178,610 -0.14,611 -0.082,612 -0.16,613 -0.044,614 -0.047,615 -0.028,616 -0.03,617 -0.051,618 -0.03,619 0.082,620 0.004,621 0.126,622 0.043,623 0.08,624 0.083,625 -0.065,626 -0.056,627 -0.045,628 -0.028,629 -0.072,630 -0.035,631 -0.01,632 -0.043,633 -0.088,634 -0.093,635 -0.068,636 -0.102,637 -0.055,638 -0.066,639 -0.026,640 -0.031,641 -0.087,642 -0.027,643 1.514,644 5.235,645 0.758,646 37.537,647 0.993,648 1.13,649 3.688,650 13.603,651 0.661,652 3.638,653 3.951,654 4.22,655 4.477,656 4.625,657 4.718,658 4.875,659 5.017,660 5.05,661 5.106,662 8.356,663 0.622,664 442.62,665 3.638,666 5.176,667 6.023,668 6.893,669 7.756,670 8.629,671 9.499,672 10.374,673 11.248,674 12.126,675 9.5,678 1,682 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 63,716 22,717 2,718 37,720 67,721 26,722 16,723 4,724 8,730 5,731 6,736 1,740 1,741 1,743 2,745 17,746 9,747 1,750 1,755 1,759 1,764 30,765 5,766 1,767 7,773 6,777 0.8,778 1,788 1,789 1,792 3,793 2,796 1,806 1,815 1,819 4,823 1,827 33,833 7,837 1,838 2,844 1,847 1.6,850 1,854 15.833,855 11.417,856 7.194,857 3.858,858 3.522,859 1.428,860 1.008,861 6.563,862 11.744,863 3.902,864 4.477,865 5.042,866 5.614,867 6.046,868 6.378,869 6.827,870 7.257,871 7.451,872 7.667,873 1,874 46,875 12.206,877 5.161,878 7.54,879 24.001,881 20.163,883 2.04,884 67.333,888 341.362,889 145.067,890 58.259,892 25.145,895 145.067,896 366.507,897 58.259,898 8.825,899 18.722,900 84.857,901 103.955,902 33.51,903 13.915,904 306.049,906 341.362,907 203.326,908 25.145,911 282.506,912 84,915 66.593,916 103.407,917 33.326,919 341.362,920 83.404,921 145.067,924 341.362,925 34.147,926 119.068,927 16.786,928 58.471,929 341.362,930 83.404,931 145.067,933 0.578,934 0.334,935 0.18,936 0.092,937 25,938 10,939 0.119,940 8,941 1,942 1.08,943 4.618,944 300.471,945 0.08,946 25,947 158.465,951 21.875,952 9.901,953 5.182,954 2.404,955 64.72,956 22.225,957 7.826,958 3.403,961 3.586,962 1.928,963 16.786,964 569.833,965 48.5,970 12.235,974 0.153,975 62.541,976 71.182,977 0.243,978 0.599,979 0.81,980 0.906,981 0.913,982 0.913,983 5.131,984 1.763,985 5.989,986 5.427,987 4.635,988 5.165,989 2.218,990 6.767,991 4.569,992 6.312,993 1.486,994 7.522,995 4.654,996 4.111,997 4.832,998 1.738,999 7.576,1000 4.015,1001 7.597,1002 1.272,1003 9.153,1004 3.426,1005 6.196,1006 7.319,1007 3.016,1008 10.662,1009 6.061,1010 8.919,1011 1.058,1012 10.844,1013 3.18,1014 6.538,1015 7.91,1016 3.151,1017 12.328,1018 6.369,1019 10.275,1020 1,1021 12.572,1022 2.508,1023 8.034,1024 9.811,1025 4.148,1026 14.895,1027 7.835,1028 11.656,1029 0.949,1030 14.327,1031 2.193,1032 8.768,1033 10.854,1034 4.551,1035 16.918,1036 8.536,1037 13.057,1038 0.779,1039 16.102,1040 2.136,1041 10.028,1042 12.516,1043 5.394,1044 19.311,1045 9.771,1046 3.119,1047 0.68,1048 17.89,1049 1.863,1050 10.95,1051 13.79,1052 5.925,1053 21.493,1054 10.664,1055 2.873,1056 10.433,1057 19.69,1058 1.649,1059 12.11,1060 15.351,1061 6.684,1062 23.828,1063 11.803,1064 2.755,1065 8.885,1066 21.499,1067 4.518,1068 13.124,1069 16.742,1070 7.279,1071 26.084,1072 12.793,1073 2.645,1074 8.708,1075 23.316,1076 3.732,1077 14.246,1078 18.262,1079 7.993,1080 28.404,1081 13.896,1082 2.369,1083 7.701,1084 25.139,1085 3.469,1086 15.305,1087 19.71,1088 8.621,1089 30.696,1090 14.935,1091 2.062,1092 6.641,1093 26.967,1094 3.018,1095 16.414,1096 21.216,1097 9.312,1098 33.016,1099 16.027,1100 1.859,1101 6.041,1102 28.801,1103 2.823,1104 17.498,1105 22.692,1106 9.957,1107 35.328,1108 17.093,1109 16809,1110 25901,1111 25.542,1112 41.625,1113 55.923,1114 55.614,1115 55.593,1116 55.256,1117 55.299,1118 71.758,1119 7.116,1120 155.446,1121 53.525,1122 5.537,1123 5.68,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 3.352,1129 17.106,1130 5.062,1131 11.02,1132 1.511,1133 1.503,1134 1.503,1135 1.493,1136 1.495,1137 1.939,1138 0.192,1139 4.201,1140 1.447,1141 4.155,1142 4.194,1143 4.114,1144 4.062,1145 7.428,1146 4.07,1147 3.952,1148 4.001,1149 3.87,1150 3.863,1151 5.135,1152 3.858,1153 3.864,1154 3.92,1155 3.793,1156 3.73,1157 4.927,1158 3.729,1159 3.818,1160 3.888,1161 3.745,1162 3.578,1163 4.753,1164 3.619,1165 3.6,1166 3.655,1167 3.509,1168 3.381,1169 4.363,1170 3.403,1171 3.416,1172 3.477,1173 3.295,1174 3.277,1175 4.249,1176 3.277,1177 3.229,1178 3.307,1179 3.091,1180 3.031,1181 4.024,1182 3.034,1183 3.149,1184 3.234,1185 2.974,1186 2.975,1187 3.839,1188 2.964,1189 0.123,1190 0.099,1191 0.177,1192 0.111,1193 0.084,1194 4.569,1195 0.122,1196 3.68,1197 0.053,1198 6.566,1199 0.282,1200 4.1,1201 0.083,1202 3.119,1203 4.518,1204 1.943,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.049,1210 2.052,1211 1.333,1212 2.049,1213 1.917,1214 1.886,1215 2.039,1216 2.021,1217 1.268,1218 2.031,1219 1.708,1220 1.652,1221 1.916,1222 1.887,1223 1.149,1224 1.895,1225 1.675,1226 1.616,1227 1.876,1228 1.86,1229 1.114,1230 1.873,1231 1.464,1232 1.404,1233 1.716,1234 1.695,1235 0.903,1236 1.698,1237 1.429,1238 1.358,1239 1.642,1240 1.673,1241 0.791,1242 1.669,1243 1.372,1244 1.307,1245 1.519,1246 1.589,1247 0.624,1248 1.581,1249 1.156,1250 1.08,1251 1.467,1252 1.442,1253 0.585,1254 1.419,1255 4.317,1257 5.631,1258 3.434,1259 7.117,1260 5.687,1261 8.682,1262 7.678,1263 10.292,1265 1.681,1271 6.831,1275 0.529,1276 4.531,1280 39.165,1281 91.641,1282 225.456,1283 305.059,1284 341.059,1285 343.814,1286 343.814,1287 46.88,1288 8.222,1289 70.05,1290 70.05,1291 27,1292 12.664,1293 4.524,1294 3.644,1295 48.094,1296 169,1297 149,1298 0.136,1299 238.692,1300 401.35,1301 574.169,1302 51295,1304 22.623,1305 0.686,1306 0.576,1307 22.623,1308 19.022,1309 16.153,1310 0.437,1311 0.314,1312 11.476,1313 15.569,1314 11.192,1315 9.267,1316 16.153,1317 11.623,1318 14.481,1319 0.284,1320 0.177,1321 14.481,1322 9.003,1323 12.204,1324 0.182,1325 0.1,1326 12.204,1327 6.675,1328 10.12,1329 0.116,1330 0.056,1331 10.12,1332 4.831,1333 7.679,1334 0.076,1335 0.032,1336 7.679,1337 3.245,1338 0.222,1339 100.712,1340 0.198,1341 31.301,1342 0.355,1343 176,1344 442.294,1345 189.732,1346 435.455,1347 604.57,1348 410,1349 206,1350 453.817,1351 221.122,1352 462.502,1353 667.65,1354 434,1355 8.959} {0 CHEMBL423610,1 1.51,2 9.273,3 4.91,4 24.109,5 96.758,6 8.071,7 0.6,8 3.812,9 3.927,10 3.519,11 3.489,12 4.752,13 3.408,14 4.382,15 4.552,16 3.992,17 3.938,18 5.259,19 3.817,20 4.61,21 4.842,22 3.764,23 3.973,24 5.383,25 3.802,26 4.579,27 4.828,28 3.633,29 3.903,30 5.319,31 3.718,32 4.526,33 4.791,34 3.636,35 3.821,36 5.258,37 3.64,38 4.375,39 4.601,40 3.706,41 3.764,42 5.192,43 3.608,44 4.348,45 4.56,46 3.536,47 3.711,48 5.172,49 3.541,50 4.316,51 4.578,52 3.358,53 3.542,54 5.069,55 3.331,56 0.033,57 0.571,58 8.46,59 3.918,60 4.932,61 5.215,62 0.13,63 1.004,64 20.911,65 7.356,66 11.069,67 9.424,68 0.161,69 1.2,70 26.49,71 9.963,72 16.445,73 13.049,74 0.144,75 1.154,76 26.191,77 10.03,78 16.987,79 13.162,80 0.157,81 1.088,82 24.571,83 9.473,84 17.248,85 12.579,86 0.133,87 0.936,88 21.98,89 7.813,90 15.322,91 10.317,92 0.136,93 0.95,94 22.166,95 7.718,96 14.245,97 9.613,98 0.186,99 0.874,100 21.913,101 7.429,102 16.72,103 9.773,104 2,105 35,106 0.265,107 0.612,108 0.766,109 0.839,110 0.839,111 0.839,112 3.147,113 1.088,114 -5.11,115 -5,116 -4.68,119 43.9,121 3,125 3,140 5,141 3,149 1,150 2,151 1,169 8,172 3,176 3,178 12,182 1,186 3,189 11,193 1,197 1,199 12,203 1,206 1,211 9,215 2,220 2,222 7,226 1,231 3,233 4,237 2,242 1,244 5,249 1,256 2,259 656,260 15.24,261 15.24,262 15.24,263 15.24,264 15.24,265 13.527,266 11.505,267 9.005,268 15.778,269 12.369,270 12.369,271 12.369,272 12.369,273 12.369,274 9.758,275 10.473,276 4.315,277 13.331,278 3.848,279 1.875,280 1.003,281 0.585,282 0.585,283 0.585,284 3.846,286 1,288 1,289 1,290 454,291 2.345,294 160.43,295 53.063,298 83.563,302 1.57,303 8.715,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45.333,315 204,316 4.571,317 3.192,318 6.567,319 4.105,320 3.123,321 4.519,322 0.8,323 10.438,324 3.071,325 4.205,326 3.022,327 6.129,328 3.74,329 2.819,330 3.852,332 9.026,333 2.614,334 3.617,335 2.839,336 5.368,337 3.465,338 2.537,339 3.022,341 7.028,342 2.355,343 3.535,344 2.561,345 5.121,346 3.093,347 2.212,348 2.703,350 6.15,351 1.973,352 3.325,353 2.123,354 5.036,355 2.909,356 1.952,357 2.504,359 5.862,360 1.778,361 2.829,362 1.501,363 4.261,364 2.343,365 1.384,366 1.971,368 3.838,369 1.329,370 2.637,371 1.395,372 4.036,373 2.253,374 1.314,375 1.693,377 3.226,378 1.202,379 2.343,380 1.225,381 3.52,382 2.1,383 1.144,384 1.328,386 2.733,387 1.044,388 2.198,389 0.866,390 3.276,391 1.729,392 0.782,393 1.074,395 1.823,396 0.728,397 2.093,398 0.744,399 3.249,400 1.591,401 0.667,402 0.941,404 1.632,405 0.6,406 1.618,407 0.691,408 3,409 1.56,410 0.618,411 0.618,413 1.372,414 0.576,415 1.519,416 0.398,417 2.911,418 1.301,419 0.334,420 0.392,422 0.811,423 0.322,424 0.864,425 -0.029,426 2.543,427 0.461,428 -0.479,429 -0.594,431 -1.24,432 -0.361,433 0.628,434 -0.349,435 2.219,436 0.177,437 -0.768,438 -0.892,440 -1.873,441 -0.537,442 0.446,443 -0.745,444 2.037,445 -0.028,446 -0.837,447 -1.115,449 -2.459,450 -0.808,451 11.348,452 0.516,453 0.465,454 0.021,455 26,456 1.182,457 12,458 0.545,459 14,460 0.636,461 19.547,462 0.888,463 22.852,464 0.557,465 14.438,466 0.656,467 4.637,468 0.211,469 6.155,470 0.28,471 0.063,473 0.3,479 0.774,480 1.124,481 0.645,482 0.82,483 0.617,484 0.85,485 0.968,486 1.003,487 0.649,488 0.781,489 0.616,490 0.867,491 0.921,492 0.981,493 0.863,494 0.94,495 0.682,496 1,497 0.707,498 0.966,499 0.79,500 0.933,501 0.733,502 0.973,503 0.58,504 0.844,505 0.631,506 0.77,507 0.562,508 0.832,509 0.937,510 1.005,511 0.842,512 0.873,513 0.954,514 0.891,515 1.224,516 1.265,517 1.171,518 1.221,519 1.139,520 1.168,521 0.879,522 1.05,523 0.91,524 1.035,525 0.926,526 1.068,527 4,528 0.047,529 2.444,530 1.049,531 0.828,532 0.58,533 0.327,534 0.207,535 0.153,536 0.042,537 5496,538 12961,539 2.205,540 46.3,542 11,543 1,545 1,547 6,550 1.644,551 2.129,552 3.214,553 -0.354,559 61.89,560 1.51,561 3.482,562 4.355,563 4.772,564 4.772,565 4.772,566 2.704,567 4.005,568 4.429,569 3.359,570 775.928,571 7.603,572 8515.92,574 1,577 219.66,578 1.143,579 4.418,580 0.16,581 0.005,582 0.07,583 0.036,584 0.032,585 0.023,586 0.013,587 0.009,588 0.01,589 0.004,590 0.362,591 0.5,592 1,593 0.405,594 101.249,595 -0.006,596 -0.043,597 0.048,598 0.046,599 0.043,600 0.045,601 -0.042,602 0.079,603 0.139,604 0.125,605 0.085,606 0.044,607 -0.086,608 0.005,609 -0.043,610 -0.019,611 0.083,612 -0.043,613 -0.016,614 -0.007,615 -0.002,616 0.003,618 0.003,619 0.144,620 0.104,621 0.147,622 0.15,623 0.168,624 0.149,625 0.042,626 -0.037,627 0.088,628 0.064,629 0.033,630 0.076,631 -0.16,632 -0.216,633 -0.202,634 -0.237,635 -0.177,636 -0.225,637 0.106,638 -0.081,639 0.007,640 -0.091,641 0.03,642 -0.098,643 0.821,644 1.957,645 0.864,646 18.256,647 0.989,648 1.112,649 3.876,650 15.025,651 0.716,652 3.258,653 3.584,654 3.871,655 4.143,656 4.248,657 4.382,658 4.543,659 4.718,660 4.762,661 4.754,662 5.601,663 0.654,664 330.91,665 3.258,666 4.796,667 5.652,668 6.529,669 7.402,670 8.284,671 9.163,672 10.048,673 10.933,674 11.82,675 4.9,678 1,683 1,687 2,688 6,690 1,692 1,693 4,695 15,713 1,714 41,716 15,717 1,718 25,720 44,721 18,722 12,723 3,724 3,730 4,731 5,732 1,740 2,743 3,745 12,746 6,764 19,765 1,766 1,767 4,768 2,773 2,777 0.75,788 1,789 1,792 3,793 1,796 1,815 1,819 3,821 1,824 1,827 22,833 6,838 1,842 1,846 1,854 10.333,855 7.26,856 4.75,857 2.683,858 2.85,859 1.397,860 1.047,861 4.14,862 10.037,863 3.512,864 4.135,865 4.766,866 5.392,867 5.83,868 6.266,869 6.754,870 7.23,871 7.474,872 7.712,873 1,874 29,875 8.148,877 3.483,878 7.384,879 16.361,881 14.129,883 1.884,884 41.444,885 0.001,887 1,888 211.88,889 115.747,890 19.91,891 39.149,894 31.278,895 84.469,896 251.028,897 19.91,899 13.921,900 56.429,902 30.527,903 54.422,904 231.386,906 211.88,907 104.379,909 70.426,911 141.253,912 70.627,915 35.504,916 68.875,918 70.426,919 211.88,920 19.91,921 154.896,924 211.88,925 59.318,926 59.553,927 16.786,928 39.149,929 211.88,930 19.91,931 154.896,933 0.582,934 0.339,935 0.184,936 0.086,937 19,938 7,939 0.091,940 4,941 1,942 1.105,943 3.598,944 176.228,945 0.105,946 19,947 94.107,948 1,951 14.583,952 6.246,953 3.071,954 2.573,955 3.124,956 12.893,958 3.406,960 1.639,961 4.759,963 16.786,964 386.685,965 32.5,975 40.556,976 45.597,977 0.282,978 0.65,979 0.813,980 0.891,981 0.891,982 0.891,983 4.743,984 1.144,985 5.624,986 3.226,987 4.263,988 4.82,989 0.673,990 6.418,991 4.14,992 5.939,993 0.782,994 7.166,995 2.733,996 3.761,997 4.62,998 0.325,999 7.261,1000 3.545,1001 7.243,1002 0.667,1003 8.806,1004 1.823,1005 5.838,1006 7.065,1007 0.379,1008 10.357,1009 5.63,1010 8.59,1011 0.618,1012 10.506,1013 1.632,1014 6.217,1015 7.792,1016 0.268,1017 12.071,1018 5.949,1019 9.973,1020 0.334,1021 12.245,1022 1.372,1023 7.699,1024 9.653,1025 0.239,1026 14.653,1027 7.43,1028 11.381,1029 -0.479,1030 14.012,1031 0.811,1032 8.471,1033 10.798,1034 0.188,1035 16.72,1036 8.167,1037 12.808,1038 -0.768,1039 15.799,1040 -1.24,1041 9.724,1042 12.435,1043 0.156,1044 19.133,1045 9.414,1046 3.123,1047 -0.837,1048 17.602,1049 -1.873,1050 10.679,1051 13.772,1052 0.125,1053 21.35,1054 10.348,1055 2.819,1056 10.438,1057 19.416,1058 -2.459,1059 11.842,1060 15.32,1061 0.102,1062 23.706,1063 11.504,1064 2.537,1065 9.026,1066 21.24,1067 4.519,1068 12.882,1069 16.745,1070 0.082,1071 25.986,1072 12.53,1073 2.212,1074 7.028,1075 23.072,1076 3.852,1077 14.013,1078 18.26,1079 0.066,1080 28.324,1081 13.653,1082 1.952,1083 6.15,1084 24.91,1085 3.022,1086 15.093,1087 19.724,1088 0.054,1089 30.633,1090 14.724,1091 1.384,1092 5.862,1093 26.754,1094 2.703,1095 16.214,1096 21.228,1097 0.043,1098 32.966,1099 15.837,1100 1.314,1101 3.838,1102 28.602,1103 2.504,1104 17.316,1105 22.711,1106 0.035,1107 35.289,1108 16.929,1109 5109,1110 8032,1111 17.394,1112 29.37,1113 37.777,1114 37.811,1115 37.749,1116 38.007,1117 37.773,1118 49.235,1119 1.6,1120 107.876,1121 35.184,1122 5.521,1123 5.192,1124 6.197,1125 5.206,1126 5.123,1127 7.519,1128 1.2,1129 17.112,1130 5.071,1131 6.014,1132 1.511,1133 1.512,1134 1.51,1135 1.52,1136 1.511,1137 1.969,1138 0.064,1139 4.315,1140 1.407,1141 4.147,1142 4.177,1143 4.344,1144 4.096,1145 4.989,1146 4.083,1147 3.853,1148 3.916,1149 4.058,1150 3.864,1151 4.87,1152 3.794,1153 3.816,1154 3.827,1155 3.711,1156 3.676,1157 4.356,1158 3.672,1159 3.429,1160 3.483,1161 3.411,1162 3.343,1163 4.311,1164 3.324,1165 3.221,1166 3.298,1167 3.194,1168 3.043,1169 4.045,1170 3.04,1171 2.906,1172 2.979,1173 3.02,1174 2.786,1175 3.831,1176 2.774,1177 2.869,1178 2.972,1179 2.759,1180 2.671,1181 3.597,1182 2.635,1183 2.631,1184 2.75,1185 2.682,1186 2.452,1187 3.209,1188 2.412,1189 0.183,1190 0.128,1191 0.263,1192 0.164,1193 0.125,1194 4.571,1195 0.181,1196 3.192,1197 0.032,1198 6.567,1199 0.418,1200 4.105,1201 0.123,1202 3.123,1203 4.519,1204 0.8,1205 10.438,1206 3.071,1207 1.962,1208 1.945,1209 2.035,1210 2.023,1211 1.273,1212 2.031,1213 1.681,1214 1.623,1215 1.876,1216 1.877,1217 1.211,1218 1.882,1219 1.577,1220 1.507,1221 1.86,1222 1.751,1223 1.122,1224 1.793,1225 1.465,1226 1.432,1227 1.641,1228 1.668,1229 0.88,1230 1.665,1231 1.424,1232 1.359,1233 1.596,1234 1.55,1235 0.685,1236 1.574,1237 1.301,1238 1.316,1239 1.399,1240 1.365,1241 0.551,1242 1.408,1243 1.031,1244 0.953,1245 1.136,1246 1.145,1247 0.489,1248 1.227,1249 0.847,1250 0.786,1251 1.07,1252 1.019,1253 0.176,1254 1.061,1255 3.932,1257 5.252,1258 3.434,1259 6.744,1260 5.687,1261 8.318,1262 7.67,1263 9.941,1266 6.068,1271 7.535,1276 2.571,1280 26.799,1281 61.89,1282 142.766,1283 178.54,1284 195.66,1285 195.66,1286 195.66,1287 23.913,1288 7.187,1289 19.03,1290 47.27,1291 21,1292 12.352,1293 4,1294 3.087,1295 29.944,1296 72,1297 68,1298 0.201,1299 169.347,1300 277.7,1301 404.967,1302 12348,1303 2.4,1304 14.941,1305 0.679,1306 0.637,1307 15.795,1308 14.013,1309 10.793,1310 0.432,1311 0.363,1312 7.927,1313 9.936,1314 7.652,1315 6.284,1316 11.49,1317 9.07,1318 9.741,1319 0.278,1320 0.22,1321 10.979,1322 7.692,1323 8.425,1324 0.179,1325 0.123,1326 9.469,1327 5.801,1328 7.095,1329 0.114,1330 0.07,1331 8.103,1332 4.332,1333 5.033,1334 0.073,1335 0.038,1336 5.904,1337 2.636,1338 0.313,1339 73.081,1340 0.24,1341 21.762,1342 0.558,1343 120,1344 267.042,1345 171.464,1346 318.408,1347 438.72,1348 300,1349 142,1350 291.69,1351 176.298,1352 325.387,1353 480.81,1354 308,1355 7.509} {0 CHEMBL423749,1 1.428,2 15,3 3.305,4 10.92,5 138.914,6 6.745,7 0.553,8 4.307,9 4.446,10 3.801,11 3.819,12 5.306,13 3.783,14 4.877,15 5.078,16 4.132,17 4.249,18 5.755,19 4.181,20 5.159,21 5.398,22 4.166,23 4.435,24 5.942,25 4.315,26 5.304,27 5.562,28 4.153,29 4.506,30 6.077,31 4.354,32 5.399,33 5.685,34 4.095,35 4.487,36 6.155,37 4.314,38 5.331,39 5.629,40 4.016,41 4.388,42 6.075,43 4.222,44 5.171,45 5.453,46 3.907,47 4.273,48 5.937,49 4.107,50 5.077,51 5.38,52 3.707,53 4.149,54 5.746,55 3.965,56 0.097,57 1.048,58 15.926,59 6.082,60 13.984,61 8.82,62 0.301,63 1.71,64 29.422,65 10.018,66 24.777,67 15.034,68 0.349,69 2.078,70 39.39,71 14.221,72 31.153,73 21.282,74 0.335,75 2.281,76 45.838,77 16.951,78 39.922,79 25.167,80 0.442,81 2.317,82 51.576,83 18.423,84 55.216,85 27.37,86 0.494,87 2.15,88 48.715,89 16.275,90 51.359,91 24.676,92 0.455,93 1.906,94 41.066,95 14.094,96 45.899,97 21.303,98 0.361,99 1.716,100 37.472,101 12.434,102 31.831,103 19.318,104 6,105 52,106 0.224,107 0.559,108 0.764,109 0.829,110 0.848,111 0.848,112 3.56,113 0.969,114 -4.79,115 -4.7,116 -4.41,119 39.7,121 4,124 1,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 8,176 3,178 12,182 5,184 1,186 4,189 8,192 1,193 8,197 3,199 7,203 7,206 1,208 4,211 8,215 6,218 1,220 1,222 7,226 6,229 3,233 4,236 1,237 6,242 2,244 3,249 2,254 1,256 5,259 2062,260 23.714,261 23.714,262 23.714,263 23.714,264 23.714,265 21.3,266 29.005,267 14.112,268 24.176,269 18.702,270 18.702,271 18.702,272 18.702,273 18.702,274 15.154,275 39.895,276 6.59,277 19.467,278 4.66,279 2.527,280 1.225,281 0.809,282 0.688,283 0.688,284 4.27,289 1,290 1131,291 3.742,294 187.555,295 356.437,298 160.59,302 2.235,303 17.772,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 72,315 510,316 4.568,317 3.395,318 6.605,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.186,326 3.196,327 6.566,328 4.025,329 3.07,330 3.731,331 0.8,332 10.408,333 2.934,334 4.129,335 2.894,336 6.095,337 3.69,338 2.753,339 3.58,340 0.172,341 8.884,342 2.578,343 3.735,344 2.862,345 5.746,346 3.572,347 2.611,348 2.852,350 7.764,351 2.514,352 3.456,353 2.562,354 5.308,355 3.258,356 2.315,357 2.811,359 6.788,360 2.173,361 3.392,362 2.184,363 5.127,364 3.012,365 2.033,366 2.593,368 6,369 1.985,370 3.247,371 1.908,372 4.618,373 2.776,374 1.799,375 2.47,377 4.655,378 1.755,379 3.035,380 1.794,381 4.514,382 2.728,383 1.772,384 2.147,386 4.603,387 1.689,388 2.744,389 1.412,390 4.134,391 2.332,392 1.346,393 1.849,395 3.482,396 1.326,397 2.551,398 1.348,399 3.708,400 2.222,401 1.244,402 1.561,404 2.895,405 1.215,406 2.5,407 1.297,408 3.468,409 2.077,410 1.112,411 1.5,413 2.508,414 1.069,415 2.422,416 1.121,417 3.414,418 2,419 1,420 1.393,422 2.275,423 1,424 2.255,425 1.077,426 3.354,427 1.984,428 1,429 1.198,431 2.136,432 0.983,433 2.118,434 1,435 3.298,436 1.869,437 0.912,438 1,440 2.103,441 0.87,442 2.009,443 0.921,444 3.247,445 1.759,446 0.83,447 0.927,449 1.735,450 0.765,451 16.233,452 0.477,453 0.619,454 0.018,455 40.5,456 1.191,457 18,458 0.529,459 22.5,460 0.662,461 33.289,462 0.979,463 37.167,464 0.547,465 29.255,466 0.86,467 7.878,468 0.232,469 8.846,470 0.26,471 0.051,473 0.29,479 0.939,480 1.431,481 0.889,482 1.157,483 0.87,484 1.042,485 1.188,486 1.076,487 1.034,488 0.966,489 0.865,490 0.974,491 0.869,492 1.052,493 1.037,494 1.058,495 0.641,496 1.061,497 0.776,498 1.083,499 1.048,500 1.163,501 0.651,502 1.139,503 0.942,504 0.993,505 0.95,506 1.039,507 1.185,508 1.013,509 1.088,510 0.871,511 0.929,512 0.889,513 1.187,514 0.897,515 0.918,516 1.008,517 1.009,518 1.032,519 1.068,520 1.038,521 0.815,522 0.893,523 1,524 0.948,525 0.628,526 0.979,527 5,528 0.124,529 4,530 1.944,531 1.397,532 1.028,533 0.586,534 0.333,535 0.208,536 0.168,537 20410,538 45496,539 2.163,540 50,541 2,542 21,543 1,544 2,545 2,547 2,548 4,550 1.753,551 2.082,552 3.844,553 0.147,559 97.082,560 1.428,561 3.561,562 4.863,563 5.278,564 5.4,565 5.4,566 3.257,567 4.514,568 5.062,569 4.052,570 2273.25,571 8.836,572 37198,577 413.947,578 1.166,579 5.043,580 0.132,581 0.005,582 0.077,583 0.037,584 0.029,585 0.023,586 0.014,587 0.009,588 0.007,589 0.006,590 0.338,591 0.17,592 0.88,593 0.54,594 186.82,595 0.044,596 -0.177,597 0.073,598 -0.049,599 0.026,601 -0.103,602 0.094,603 -0.047,604 0.054,605 -0.058,606 0.016,607 -0.038,609 -0.073,610 -0.03,611 0.023,612 -0.05,613 -0.006,614 -0.093,615 -0.09,616 -0.138,617 0.068,618 -0.124,619 0.017,620 -0.094,621 0.029,622 -0.041,623 -0.005,624 -0.013,625 -0.032,626 0.029,627 0.066,628 0.074,629 -0.028,630 0.079,631 0.054,632 -0.069,633 -0.025,634 -0.052,635 -0.052,636 -0.053,637 -0.032,638 0.043,639 -0.023,640 0.007,641 -0.046,642 -0.002,643 1.343,644 4.023,645 0.765,646 39.685,647 0.99,648 1.133,649 3.557,650 12.655,651 0.649,652 3.664,653 3.97,654 4.277,655 4.522,656 4.673,657 4.745,658 4.875,659 4.977,660 4.997,661 5.037,662 8.865,663 0.606,664 458.67,665 3.664,666 5.198,667 6.057,668 6.927,669 7.797,670 8.672,671 9.547,672 10.425,673 11.302,674 12.181,675 8.8,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 68,716 21,717 2,718 38,720 72,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 16,746 11,764 34,765 5,766 2,767 7,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,815 2,817 1,819 4,823 1,827 34,832 1,833 8,837 2,838 2,844 1,847 1.5,848 1,854 16.333,855 12.033,856 7.583,857 4.208,858 3.48,859 1.422,860 0.978,861 7.287,862 11.736,863 3.902,864 4.466,865 5.061,866 5.634,867 6.059,868 6.383,869 6.823,870 7.226,871 7.399,872 7.615,873 0.9,874 52,875 12.583,877 5.3,878 7.485,879 24.939,881 21.05,883 1.985,884 67.5,888 376.675,889 140.791,890 58.259,892 42.683,895 140.791,896 419.359,897 58.259,898 8.396,899 16.455,900 127.541,901 74.105,902 36.634,903 13.915,904 341.362,906 376.675,907 199.05,908 42.683,911 306.049,912 70.627,913 42.683,915 58.626,916 107.099,917 33.326,919 376.675,920 100.943,921 140.791,924 376.675,925 30.3,926 118.639,927 16.786,928 76.009,929 376.675,930 100.943,931 140.791,933 0.573,934 0.348,935 0.192,936 0.094,937 25,938 10,939 0.125,940 9,941 1,942 1.077,943 4.695,944 311.442,945 0.077,946 26,947 160.974,951 23.097,952 10.727,953 5.223,954 2.454,955 82.258,956 22.43,957 7.84,958 3.417,961 3.649,962 1.941,963 59.469,964 618.409,965 48.5,975 67.309,976 77.012,977 0.235,978 0.585,979 0.799,980 0.867,981 0.887,982 0.887,983 5.131,984 1.772,985 6.019,986 4.655,987 4.654,988 5.153,989 1.242,990 6.819,991 4.577,992 6.301,993 1.346,994 7.568,995 4.603,996 4.111,997 4.783,998 0.57,999 7.708,1000 3.984,1001 7.585,1002 1.244,1003 9.221,1004 3.482,1005 6.232,1006 7.307,1007 0.883,1008 10.816,1009 6.081,1010 8.909,1011 1.112,1012 10.938,1013 2.895,1014 6.594,1015 7.896,1016 0.581,1017 12.568,1018 6.391,1019 10.27,1020 1,1021 12.697,1022 2.508,1023 8.106,1024 9.809,1025 0.68,1026 15.167,1027 7.884,1028 11.658,1029 1,1030 14.484,1031 2.275,1032 8.874,1033 10.859,1034 0.515,1035 17.253,1036 8.607,1037 13.067,1038 0.912,1039 16.291,1040 2.136,1041 10.145,1042 12.523,1043 0.541,1044 19.684,1045 9.859,1046 3.118,1047 0.83,1048 18.111,1049 2.103,1050 11.1,1051 13.802,1052 0.441,1053 21.91,1054 10.777,1055 3.07,1056 10.431,1057 19.943,1058 1.735,1059 12.274,1060 15.362,1061 0.438,1062 24.28,1063 11.93,1064 2.753,1065 10.408,1066 21.783,1067 4.518,1068 13.316,1069 16.754,1070 0.373,1071 26.566,1072 12.941,1073 2.611,1074 8.884,1075 23.629,1076 3.731,1077 14.453,1078 18.274,1079 0.358,1080 28.915,1081 14.056,1082 2.315,1083 7.764,1084 25.48,1085 3.58,1086 15.536,1087 19.721,1088 0.314,1089 31.229,1090 15.111,1091 2.033,1092 6.788,1093 27.336,1094 2.852,1095 16.66,1096 21.226,1097 0.296,1098 33.57,1099 16.212,1100 1.799,1101 6,1102 29.196,1103 2.811,1104 17.762,1105 22.701,1106 0.264,1107 35.898,1108 17.29,1109 18766,1110 28208,1111 26.235,1112 44.148,1113 56.971,1114 56.451,1115 57.679,1116 56.278,1117 56.259,1118 71.623,1119 3.778,1120 158.939,1121 54.088,1122 5.568,1123 5.395,1124 6.407,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.563,1130 5.062,1131 11.211,1132 1.499,1133 1.486,1134 1.518,1135 1.481,1136 1.481,1137 1.885,1138 0.099,1139 4.183,1140 1.423,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 6.456,1146 4.07,1147 3.969,1148 4.016,1149 3.888,1150 3.88,1151 5.135,1152 3.876,1153 3.848,1154 3.912,1155 3.79,1156 3.708,1157 4.927,1158 3.706,1159 3.82,1160 3.886,1161 3.729,1162 3.587,1163 4.751,1164 3.624,1165 3.577,1166 3.647,1167 3.444,1168 3.406,1169 4.379,1170 3.408,1171 3.449,1172 3.513,1173 3.309,1174 3.28,1175 4.257,1176 3.28,1177 3.279,1178 3.345,1179 3.159,1180 3.113,1181 4.108,1182 3.115,1183 3.159,1184 3.249,1185 2.963,1186 2.941,1187 3.89,1188 2.91,1189 0.12,1190 0.089,1191 0.174,1192 0.108,1193 0.082,1194 4.568,1195 0.119,1196 3.395,1197 0.024,1198 6.605,1199 0.275,1200 4.099,1201 0.081,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.937,1209 2.088,1210 2.078,1211 1.444,1212 2.085,1213 1.937,1214 1.904,1215 2.044,1216 2.049,1217 1.286,1218 2.047,1219 1.834,1220 1.776,1221 2.011,1222 1.98,1223 1.197,1224 1.994,1225 1.668,1226 1.612,1227 1.877,1228 1.835,1229 1.114,1230 1.853,1231 1.47,1232 1.404,1233 1.707,1234 1.706,1235 0.871,1236 1.707,1237 1.4,1238 1.33,1239 1.58,1240 1.649,1241 0.825,1242 1.633,1243 1.304,1244 1.241,1245 1.514,1246 1.514,1247 0.749,1248 1.52,1249 1.153,1250 1.064,1251 1.513,1252 1.442,1253 0.615,1254 1.456,1255 4.344,1257 5.652,1258 3.045,1259 7.157,1260 5.283,1261 8.747,1262 7.286,1263 10.383,1265 2.166,1270 10.023,1271 8.02,1275 0.584,1276 4.976,1280 41.218,1281 97.082,1282 242.145,1283 330.663,1284 358.928,1285 367.193,1286 367.193,1287 49.521,1288 8.256,1289 73.21,1290 73.21,1291 28,1292 12.718,1293 4.459,1294 3.524,1295 50.445,1296 187,1297 152,1298 0.13,1299 251.212,1300 421.29,1301 604.718,1302 54462,1304 23.33,1305 0.686,1306 0.584,1307 23.33,1308 19.846,1309 16.725,1310 0.44,1311 0.323,1312 12.119,1313 16.128,1314 11.852,1315 9.8,1316 16.725,1317 12.278,1318 14.42,1319 0.277,1320 0.18,1321 14.42,1322 9.364,1323 12.893,1324 0.182,1325 0.104,1326 12.893,1327 7.37,1328 10.813,1329 0.119,1330 0.058,1331 10.813,1332 5.31,1333 8.012,1334 0.076,1335 0.034,1336 8.012,1337 3.569,1338 0.213,1339 104.319,1340 0.195,1341 32.251,1342 0.332,1343 180,1344 424.708,1345 192.957,1346 418.253,1347 585.83,1348 396,1349 213,1350 440.343,1351 227.845,1352 449.623,1353 653.2,1354 423,1355 8.174} {0 CHEMBL423789,1 1.362,2 14.8,3 5.298,4 28.064,5 143.985,6 6.935,7 0.525,8 4.296,9 4.425,10 3.823,11 3.887,12 5.274,13 3.843,14 4.866,15 5.049,16 4.182,17 4.32,18 5.787,19 4.249,20 5.151,21 5.381,22 4.204,23 4.467,24 6.012,25 4.351,26 5.188,27 5.431,28 4.141,29 4.436,30 6.056,31 4.304,32 5.178,33 5.436,34 4.09,35 4.349,36 6.086,37 4.221,38 5.055,39 5.297,40 4.046,41 4.29,42 5.933,43 4.176,44 5.036,45 5.271,46 3.994,47 4.318,48 5.838,49 4.185,50 5.092,51 5.362,52 3.854,53 4.281,54 5.847,55 4.109,56 0.092,57 0.979,58 14.849,59 6.292,60 8.75,61 8.711,62 0.241,63 1.67,64 27.767,65 10.66,66 21.362,67 15.204,68 0.327,69 2.085,70 38.413,71 14.804,72 33.696,73 21.201,74 0.26,75 2.093,76 40.277,77 15.815,78 37.973,79 22.515,80 0.364,81 2.021,82 40.985,83 15.209,84 56.445,85 21.531,86 0.313,87 1.849,88 35.702,89 13.025,90 43.973,91 18.563,92 0.255,93 1.875,94 34.278,95 12.894,96 27.556,97 18.671,98 0.272,99 1.887,100 37.117,101 14.45,102 33.167,103 20.937,104 2,105 56,106 0.213,107 0.547,108 0.736,109 0.842,110 0.868,111 0.878,112 3.588,113 0.96,114 -5.54,115 -5.42,116 -5.05,119 44.8,121 4,125 5,134 1,135 1,140 10,141 6,149 1,150 1,156 1,166 1,169 21,172 6,174 1,176 4,178 25,181 1,182 5,186 7,189 23,193 7,197 5,199 16,203 11,206 1,208 5,211 10,215 9,220 5,222 9,226 5,231 4,233 11,237 5,240 1,242 1,244 17,249 2,253 1,254 1,256 18,259 2280,260 24.447,261 24.447,262 24.447,263 24.447,264 24.447,265 21.717,266 20.798,267 14.464,268 24.698,269 19.785,270 19.785,271 19.785,272 19.785,273 19.785,274 15.608,275 22.054,276 6.879,277 20.163,278 4.705,279 2.568,280 1.354,281 0.679,282 0.507,283 0.448,284 4.311,289 1,290 1174,291 3.317,294 188.819,295 406.222,298 153.152,299 170.82,302 2.4,303 18.985,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 73,315 518,316 4.568,317 3.6,318 6.665,319 4.118,320 3.122,321 4.515,322 0.98,323 10.704,324 3.118,325 4.549,326 3.201,327 6.566,328 4.106,329 3.11,330 4.468,331 0.8,332 10.433,333 3.086,334 4.115,335 2.998,336 6.101,337 3.773,338 2.787,339 3.555,340 0.657,341 8.909,342 2.752,343 3.841,344 2.868,345 5.71,346 3.511,347 2.545,348 3.237,350 7.682,351 2.487,352 3.562,353 2.83,354 5.368,355 3.461,356 2.509,357 2.757,359 7.026,360 2.357,361 3.433,362 2.543,363 5.286,364 3.196,365 2.216,366 2.544,368 6.631,369 2.159,370 3.326,371 2.146,372 5.104,373 2.959,374 1.975,375 2.5,377 5.939,378 1.94,379 3.118,380 1.85,381 4.497,382 2.618,383 1.618,384 2.427,386 4.423,387 1.618,388 3.041,389 1.646,390 4.377,391 2.555,392 1.563,393 2.207,395 4.052,396 1.548,397 2.862,398 1.618,399 4.106,400 2.391,401 1.395,402 1.949,404 3.462,405 1.383,406 2.748,407 1.401,408 3.931,409 2.322,410 1.334,411 1.85,413 3.315,414 1.317,415 2.682,416 1.396,417 3.577,418 2.248,419 1.248,420 1.725,422 2.773,423 1.247,424 2.346,425 1.266,426 3.52,427 2.149,428 1.167,429 1.33,431 2.739,432 1.144,433 2.198,434 1.235,435 3.414,436 1.984,437 1,438 1.048,440 2.275,441 0.983,442 2.136,443 0.86,444 3.268,445 1.74,446 0.776,447 1.035,449 1.818,450 0.746,451 16.933,452 0.484,453 0.688,454 0.02,455 43.25,456 1.236,457 21,458 0.6,459 22.25,460 0.636,461 32.432,462 0.927,463 36.467,464 0.544,465 32.313,466 0.923,467 8.322,468 0.238,469 8.92,470 0.255,471 0.02,473 0.313,479 0.762,480 1.158,481 0.845,482 0.997,483 0.562,484 0.936,485 0.995,486 1.081,487 0.985,488 0.967,489 0.568,490 0.963,491 0.968,492 1.014,493 1.027,494 1.007,495 0.763,496 1.014,497 0.965,498 1.104,499 1.002,500 1.097,501 1.031,502 1.061,503 1.359,504 1.01,505 0.953,506 0.965,507 1.703,508 0.938,509 1.44,510 1.065,511 1.026,512 0.964,513 1.564,514 0.964,515 1.043,516 1.148,517 1.167,518 1.125,519 0.718,520 1.143,521 0.749,522 1.019,523 1.056,524 1.086,525 0.566,526 1.092,527 5.5,528 0.136,529 4,530 1.889,531 1.596,532 1.069,533 0.644,534 0.284,535 0.333,536 0.2,537 22352,538 44737,539 2.227,540 47.8,542 21,543 1,545 2,547 8,550 1.762,551 2.165,552 3.82,553 0.077,559 91.221,560 1.362,561 3.498,562 4.712,563 5.387,564 5.559,565 5.618,566 3.286,567 4.651,568 5.101,569 4.041,570 2404.47,571 8.926,572 39228.4,577 406.428,578 1.069,579 5.093,580 0.138,581 0.004,582 0.071,583 0.034,584 0.032,585 0.023,586 0.014,587 0.007,588 0.009,589 0.006,590 0.338,591 0.33,592 0.63,593 0.293,594 192.72,595 0.076,596 -0.002,597 0.073,598 0.025,599 0.016,600 0.042,601 -0.013,602 0.041,603 -0.031,604 0.017,605 0.055,606 -0.002,607 -0.016,608 0.016,609 -0.055,610 -0.021,611 0.05,612 -0.036,613 0.002,614 -0.125,615 -0.024,616 -0.103,617 0.028,618 -0.07,620 -0.053,621 0.064,622 0.01,623 -0.009,624 0.035,625 -0.12,626 -0.06,627 -0.019,628 0.004,629 -0.116,630 -0.001,631 -0.14,632 -0.105,633 -0.195,634 -0.153,635 -0.104,636 -0.173,637 0.006,638 -0.053,639 -0.08,640 -0.101,641 0.029,642 -0.097,643 1.713,644 6.009,645 0.857,646 42.735,647 0.987,648 1.12,649 4.311,650 18.581,651 0.674,652 3.714,653 4.043,654 4.357,655 4.635,656 4.836,657 4.92,658 5.094,659 5.242,660 5.352,661 5.451,662 8.711,663 0.629,664 464.66,665 3.714,666 5.263,667 6.129,668 7.009,669 7.887,670 8.771,671 9.654,672 10.54,673 11.425,674 12.312,675 6,678 2,682 1,683 1,687 4,688 11,690 1,693 3,695 21,714 67,716 23,717 3,718 40,720 72,721 30,722 18,723 6,724 10,725 3,730 6,731 8,740 3,743 4,745 21,746 9,750 2,755 1,757 1,759 2,764 32,765 4,766 2,767 5,773 4,776 1,777 0.667,778 1,788 1,789 1,792 2,793 4,796 1,797 1,810 1,811 1,815 1,819 4,827 35,833 9,834 1,838 2,847 1.5,850 1,854 16.167,855 11.817,856 7.583,857 4.342,858 4.616,859 1.521,860 1.05,861 6.324,862 13.471,863 3.98,864 4.593,865 5.232,866 5.847,867 6.385,868 6.711,869 7.143,870 7.506,871 7.719,872 7.827,873 0.9,874 55,875 13.011,877 5.629,878 7.457,879 25.862,881 22.307,883 1.957,884 68.5,888 353.133,889 161.263,890 40.8,892 25.145,895 161.263,896 378.278,897 40.8,899 38.555,900 113.286,901 29.85,902 43.373,903 13.915,904 341.362,906 353.133,907 202.063,908 25.145,911 258.964,912 119.314,915 61.467,916 131.12,917 9.476,919 353.133,920 65.945,921 161.263,924 353.133,925 47.977,926 119.412,927 34.674,928 25.145,929 353.133,930 65.945,931 161.263,933 0.581,934 0.347,935 0.193,936 0.098,937 29,938 11,939 0.083,940 6,941 2,942 1.133,943 4.807,944 337.474,945 0.133,946 30,947 173.525,951 22.39,952 9.885,953 4.733,954 4.627,955 49.159,956 22.885,958 3.457,961 3.422,963 34.674,964 580.341,965 52.5,970 13.009,972 2.255,974 1.31,975 66.105,976 75.015,977 0.224,978 0.577,979 0.777,980 0.888,981 0.916,982 0.926,983 5.222,984 1.618,985 6.098,986 5.939,987 4.727,988 5.281,989 1.557,990 6.907,991 4.694,992 6.417,993 1.563,994 7.649,995 4.423,996 4.205,997 5.066,998 0.325,999 7.789,1000 4.161,1001 7.723,1002 1.395,1003 9.301,1004 4.052,1005 6.315,1006 7.522,1007 1.302,1008 10.903,1009 6.254,1010 9.069,1011 1.334,1012 11.016,1013 3.462,1014 6.673,1015 8.23,1016 0.268,1017 12.651,1018 6.609,1019 10.452,1020 1.248,1021 12.771,1022 3.315,1023 8.19,1024 10.12,1025 1.163,1026 15.258,1027 8.112,1028 11.861,1029 1.167,1030 14.554,1031 2.773,1032 8.953,1033 11.258,1034 0.188,1035 17.354,1036 8.877,1037 13.291,1038 1,1039 16.358,1040 2.739,1041 10.23,1042 12.919,1043 1.078,1044 19.793,1045 10.145,1046 3.122,1047 0.776,1048 18.176,1049 2.275,1050 11.183,1051 14.257,1052 0.125,1053 22.035,1054 11.102,1055 3.11,1056 10.704,1057 20.007,1058 1.818,1059 12.362,1060 15.823,1061 1.018,1062 24.417,1063 12.275,1064 2.787,1065 10.433,1066 21.846,1067 4.515,1068 13.406,1069 17.25,1070 0.082,1071 26.722,1072 13.321,1073 2.545,1074 8.909,1075 23.693,1076 4.468,1077 14.547,1078 18.777,1079 0.974,1080 29.084,1081 14.459,1082 2.509,1083 7.682,1084 25.546,1085 3.555,1086 15.634,1087 20.245,1088 0.054,1089 31.417,1090 15.546,1091 2.216,1092 7.026,1093 27.404,1094 3.237,1095 16.762,1096 21.757,1097 0.937,1098 33.774,1099 16.672,1100 1.975,1101 6.631,1102 29.266,1103 2.757,1104 17.869,1105 23.243,1106 0.035,1107 36.119,1108 17.779,1109 20058,1110 28576,1111 28.027,1112 45.137,1113 60.206,1114 61.454,1115 60.494,1116 60.036,1117 60.067,1118 78.314,1119 4.874,1120 172.16,1121 59.043,1122 5.519,1123 5.6,1124 6.354,1125 5.158,1126 5.122,1127 7.515,1128 1.96,1129 17.827,1130 5.118,1131 7.829,1132 1.505,1133 1.536,1134 1.512,1135 1.501,1136 1.502,1137 1.958,1138 0.122,1139 4.304,1140 1.476,1141 4.156,1142 4.188,1143 4.111,1144 4.084,1145 7.429,1146 4.086,1147 4.084,1148 4.104,1149 4.043,1150 4.039,1151 4.969,1152 4.038,1153 3.851,1154 3.918,1155 3.75,1156 3.712,1157 4.88,1158 3.712,1159 3.823,1160 3.885,1161 3.706,1162 3.668,1163 4.51,1164 3.667,1165 3.531,1166 3.569,1167 3.463,1168 3.42,1169 4.341,1170 3.419,1171 3.444,1172 3.499,1173 3.328,1174 3.331,1175 4.323,1176 3.322,1177 3.313,1178 3.375,1179 3.205,1180 3.131,1181 4.206,1182 3.148,1183 3.214,1184 3.276,1185 3.075,1186 3.037,1187 3.908,1188 3.036,1189 0.114,1190 0.09,1191 0.167,1192 0.103,1193 0.078,1194 4.568,1195 0.113,1196 3.6,1197 0.024,1198 6.665,1199 0.268,1200 4.118,1201 0.078,1202 3.122,1203 4.515,1204 0.98,1205 10.704,1206 3.118,1207 2.077,1208 2.061,1209 2.156,1210 2.136,1211 1.332,1212 2.142,1213 1.993,1214 1.971,1215 2.088,1216 2.071,1217 1.291,1218 2.079,1219 1.749,1220 1.699,1221 1.923,1222 1.916,1223 1.229,1224 1.92,1225 1.666,1226 1.603,1227 1.86,1228 1.872,1229 1.211,1230 1.872,1231 1.577,1232 1.507,1233 1.853,1234 1.751,1235 1.067,1236 1.793,1237 1.504,1238 1.469,1239 1.671,1240 1.664,1241 0.872,1242 1.66,1243 1.426,1244 1.352,1245 1.639,1246 1.628,1247 0.71,1248 1.64,1249 1.241,1250 1.202,1251 1.436,1252 1.47,1253 0.69,1254 1.456,1255 4.394,1257 5.72,1258 3.045,1259 7.241,1260 5.283,1261 8.849,1262 7.273,1263 10.505,1271 9.823,1272 3.118,1276 4.595,1280 42.176,1281 91.221,1282 234.376,1283 315.699,1284 360.918,1285 372.428,1286 376.428,1287 48.055,1288 8.855,1289 51.37,1290 51.37,1291 34,1292 12.844,1293 4.585,1294 3.755,1295 47.38,1296 186,1297 166,1298 0.122,1299 253.152,1300 433.55,1301 609.452,1302 113536,1304 23.614,1305 0.675,1306 0.574,1307 23.614,1308 20.095,1309 17.242,1310 0.431,1311 0.32,1312 12.692,1313 16.838,1314 12.436,1315 10.239,1316 17.242,1317 12.8,1318 15.359,1319 0.274,1320 0.174,1321 15.359,1322 9.766,1323 13.647,1324 0.177,1325 0.098,1326 13.647,1327 7.537,1328 11.706,1329 0.115,1330 0.054,1331 11.706,1332 5.53,1333 9.23,1334 0.074,1335 0.029,1336 9.23,1337 3.633,1338 0.198,1339 106.118,1340 0.189,1341 32.845,1342 0.317,1343 192,1344 429.691,1345 202.152,1346 428.848,1347 608.18,1348 406,1349 229,1350 463.172,1351 240.319,1352 474.266,1353 698.08,1354 450,1355 8.056} {0 CHEMBL424128,1 1.42,2 16.563,3 4.442,4 19.73,5 130.414,6 6.585,7 0.571,8 4.265,9 4.404,10 3.72,11 3.776,12 5.266,13 3.737,14 4.815,15 5,16 4.025,17 4.177,18 5.729,19 4.1,20 5.073,21 5.317,22 4.031,23 4.276,24 5.898,25 4.161,26 5.066,27 5.307,28 3.956,29 4.255,30 5.884,31 4.124,32 5.068,33 5.331,34 3.872,35 4.174,36 5.896,37 4.024,38 5.005,39 5.267,40 3.712,41 4.089,42 5.794,43 3.936,44 4.91,45 5.169,46 3.628,47 4.027,48 5.727,49 3.859,50 4.853,51 5.131,52 3.492,53 3.977,54 5.537,55 3.79,56 0.09,57 0.95,58 15.784,59 6.158,60 11.748,61 8.72,62 0.206,63 1.488,64 27.972,65 10.647,66 23.638,67 15.07,68 0.339,69 1.74,70 36.936,71 13.37,72 36.463,73 19.261,74 0.31,75 1.74,76 36.554,77 13.216,78 33.62,79 19.201,80 0.45,81 1.669,82 37.004,83 13.132,84 42.587,85 19.149,86 0.403,87 1.526,88 35.024,89 11.88,90 39.597,91 17.294,92 0.521,93 1.41,94 31.729,95 11.215,96 44.594,97 16.363,98 0.243,99 1.344,100 29.433,101 10.941,102 24.365,103 16.101,104 13,105 46,106 0.225,107 0.547,108 0.7,109 0.743,110 0.743,111 0.743,112 3.501,113 0.998,114 -3.64,115 -3.61,116 -3.44,119 39.4,121 6,125 4,140 6,141 4,142 2,149 2,150 2,161 2,162 2,163 2,169 11,172 6,176 8,178 10,180 2,182 6,186 8,189 9,191 2,193 4,197 2,199 8,201 2,203 4,206 2,207 2,208 2,210 2,211 10,213 2,220 2,222 10,224 2,225 1,228 2,229 2,231 4,233 12,235 2,242 2,244 8,249 4,254 4,256 4,258 2,259 1844,260 22.43,261 22.43,262 22.43,263 22.43,264 22.43,265 20.171,266 17.558,267 13.902,268 22.85,269 17.277,270 17.277,271 17.277,272 17.277,273 17.277,274 13.745,275 14.569,276 6.504,277 17.947,278 4.624,279 2.598,280 1.629,281 1.364,282 1.364,283 1.364,284 4.204,289 1,290 1154,291 4,294 179.163,295 198.874,298 312.82,302 2.367,303 20.905,306 0.75,307 0.67,308 0.67,309 0.7,310 0.5,311 0.67,312 0.5,313 0.64,314 68,315 530,316 4.55,317 3.187,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 4.55,326 3.186,327 6.546,328 4.076,329 3.092,330 4.504,331 0.86,332 10.36,333 3.042,334 3.715,335 2.776,336 5.317,337 3.329,338 2.39,339 3.129,341 6.864,342 2.244,343 3.714,344 2.772,345 5.316,346 3.325,347 2.385,348 3.129,350 6.863,351 2.241,352 3.347,353 2.174,354 5.096,355 2.956,356 1.984,357 2.675,359 5.915,360 1.92,361 3.346,362 2.169,363 5.096,364 2.945,365 1.975,366 2.674,368 5.914,369 1.905,370 2.864,371 1.886,372 4.16,373 2.806,374 1.818,375 1.894,377 3.743,378 1.793,379 2.752,380 1.668,381 4.159,382 2.397,383 1.444,384 1.856,386 3.537,387 1.368,388 2.734,389 1.399,390 3.866,391 2.304,392 1.325,393 1.813,395 3.479,396 1.295,397 2.491,398 1.389,399 3.548,400 2.291,401 1.309,402 1.491,404 2.926,405 1.284,406 2.336,407 1.294,408 3.342,409 2.034,410 1.091,411 1.299,413 2.184,414 1.025,415 2.3,416 1.154,417 3.314,418 2.01,419 1.057,420 1.261,422 2.081,423 1.004,424 2.037,425 1.106,426 3.136,427 1.82,428 0.888,429 0.983,431 1.819,432 0.82,433 1.971,434 0.793,435 3.031,436 1.613,437 0.659,438 0.846,440 1.344,441 0.627,442 1.86,443 0.724,444 3,445 1.547,446 0.594,447 0.748,449 1.225,450 0.564,451 15.267,452 0.477,453 0.478,454 0.015,455 37,456 1.156,457 17,458 0.531,459 20,460 0.625,461 29.662,462 0.927,463 35.733,464 0.541,465 25.572,466 0.799,467 7.041,468 0.22,469 8.739,470 0.273,471 0.052,473 0.262,479 1.068,480 1.197,481 0.953,482 1.08,483 1.188,484 1.003,485 1.198,486 1.159,487 1.029,488 1.117,489 0.975,490 1.065,491 1.203,492 0.97,493 0.95,494 0.955,495 0.942,496 0.935,497 1.134,498 1.118,499 1.078,500 1.128,501 0.91,502 1.105,503 0.918,504 1.021,505 0.999,506 1.099,507 0.883,508 1.071,509 1.508,510 0.972,511 1.136,512 0.997,513 1.29,514 1.031,515 1.033,516 0.984,517 1.131,518 1.059,519 0.911,520 1.11,521 0.816,522 1.017,523 1.05,524 1.089,525 0.808,526 1.099,527 4.5,528 0.114,529 2.889,530 1.583,531 1.227,532 0.737,533 0.394,534 0.255,535 0.153,536 0.101,537 18733,538 40457,539 2.12,540 51.5,541 4,542 14,543 2,545 6,547 8,550 1.733,551 2.043,552 3.958,553 3.106,559 93.745,560 1.42,561 3.447,562 4.415,563 4.681,564 4.681,565 4.681,566 3.328,567 3.875,568 4.978,569 4.168,570 2067.09,571 8.636,572 34768.3,577 398.93,578 1.122,579 4.957,580 0.129,581 0.005,582 0.063,583 0.035,584 0.031,585 0.021,586 0.013,587 0.009,588 0.006,589 0.004,590 0.317,591 0.17,592 0.88,593 0.906,594 176.412,595 -0.08,596 0.068,597 0.037,598 0.052,599 -0.123,600 0.064,601 -0.095,602 -0.039,603 -0.036,604 -0.033,605 -0.035,606 -0.027,607 -0.076,608 0.02,609 0.044,610 0.063,611 -0.019,612 0.066,613 -0.085,614 -0.111,615 -0.092,616 -0.11,617 -0.072,618 -0.103,619 0.144,620 -0.058,621 -0.01,622 -0.112,623 0.088,624 -0.086,625 -0.182,626 -0.03,627 -0.123,628 -0.025,629 -0.187,630 -0.064,631 0.115,632 -0.027,633 -0.137,634 -0.068,635 0.062,636 -0.125,637 -0.054,638 -0.072,639 -0.095,640 -0.085,641 -0.082,642 -0.094,643 0.849,644 2.469,645 0.563,646 37.078,647 0.99,648 1.131,649 2.415,650 5.832,651 0.642,652 3.584,653 3.85,654 4.127,655 4.394,656 4.564,657 4.615,658 4.682,659 4.71,660 4.564,661 4.511,662 9.67,663 0.597,664 434.64,665 3.584,666 5.094,667 5.932,668 6.792,669 7.654,670 8.525,671 9.397,672 10.274,673 11.151,674 12.031,675 6.1,676 2,683 2,687 4,688 8,690 2,693 4,695 20,712 2,714 66,716 20,717 2,718 35,720 69,721 26,722 16,723 6,724 6,730 4,731 6,736 2,743 6,745 16,746 10,764 34,765 4,766 6,767 6,773 4,777 0.5,778 2,788 2,792 2,793 2,796 2,812 2,819 2,827 32,828 2,833 10,835 2,847 3,852 2,854 15.667,855 11.167,856 7.361,857 4.181,858 3.818,859 1.483,860 1.004,861 8.234,862 11.727,863 3.829,864 4.425,865 5.07,866 5.708,867 6.202,868 6.516,869 6.861,870 7.161,871 6.887,872 6.838,873 0.909,874 45,875 11.837,877 4.888,878 7.51,879 23.353,881 19.2,883 2.01,884 64.333,888 329.591,889 129.848,890 99.365,892 22,895 129.848,896 351.591,897 99.365,899 94.398,900 74.952,902 77.575,903 27.83,904 306.049,906 329.591,907 229.213,908 22,911 235.422,912 116.169,915 127.969,916 101.245,919 329.591,920 121.365,921 129.848,924 329.591,925 54.896,926 74.952,927 33.571,928 87.794,929 329.591,930 121.365,931 129.848,933 0.554,934 0.325,935 0.188,936 0.104,937 20,938 8,939 0.188,940 13,941 2,942 1.222,943 4.661,944 265.666,945 0.222,946 18,947 128,951 22.867,952 11.523,953 5.94,954 4.676,955 87.794,956 16.517,958 6.588,961 4.346,963 99.365,964 580.804,965 45,975 65.316,976 74.64,977 0.235,978 0.57,979 0.731,980 0.774,981 0.774,982 0.774,983 5.03,984 1.444,985 5.872,986 3.743,987 4.533,988 5.112,989 1.376,990 6.645,991 4.464,992 6.21,993 1.325,994 7.396,995 3.537,996 3.892,997 4.913,999 7.476,1000 3.816,1001 7.506,1002 1.309,1003 9.026,1004 3.479,1005 6.071,1006 7.389,1007 1.159,1008 10.6,1009 5.953,1010 8.851,1011 1.091,1012 10.724,1013 2.926,1014 6.365,1015 8.146,1017 12.345,1018 6.246,1019 10.238,1020 1.057,1021 12.467,1022 2.184,1023 7.918,1024 10.033,1025 0.963,1026 14.95,1027 7.769,1028 11.655,1029 0.888,1030 14.242,1031 2.081,1032 8.66,1033 11.211,1035 17.056,1036 8.512,1037 13.095,1038 0.659,1039 16.04,1040 1.819,1041 9.955,1042 12.871,1043 0.787,1044 19.489,1045 9.785,1046 3.092,1047 0.594,1048 17.855,1049 1.344,1050 10.91,1051 14.236,1053 21.737,1054 10.736,1055 3.092,1056 10.36,1057 19.684,1058 1.225,1059 12.1,1060 15.803,1061 0.634,1062 24.11,1063 11.909,1064 2.39,1065 10.36,1066 21.522,1067 4.504,1068 13.152,1069 17.249,1071 26.413,1072 12.953,1073 2.385,1074 6.864,1075 23.369,1076 4.504,1077 14.301,1078 18.779,1079 0.504,1080 28.764,1081 14.088,1082 1.984,1083 6.863,1084 25.223,1085 3.129,1086 15.395,1087 20.258,1089 31.088,1090 15.171,1091 1.975,1092 5.915,1093 27.081,1094 3.129,1095 16.529,1096 21.774,1097 0.395,1098 33.431,1099 16.291,1100 1.818,1101 5.914,1102 28.943,1103 2.675,1104 17.642,1105 23.268,1107 35.763,1108 17.391,1109 17566,1110 25932,1111 24.038,1112 42.353,1113 50.775,1114 51.281,1115 52.286,1116 50.699,1117 50.728,1118 66.19,1119 3.44,1120 138.372,1121 48.828,1122 5.499,1123 5.187,1124 6.436,1125 5.153,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 11.671,1132 1.451,1133 1.465,1134 1.494,1135 1.449,1136 1.449,1137 1.891,1138 0.098,1139 3.953,1140 1.395,1141 4.148,1142 4.18,1143 4.104,1144 4.06,1145 5.054,1146 4.067,1147 4.112,1148 4.143,1149 4.072,1150 4.027,1151 5.021,1152 4.035,1153 3.752,1154 3.812,1155 3.601,1156 3.613,1157 4.961,1158 3.599,1159 3.588,1160 3.642,1161 3.477,1162 3.433,1163 4.954,1164 3.434,1165 3.552,1166 3.624,1167 3.416,1168 3.413,1169 4.59,1170 3.406,1171 3.453,1172 3.529,1173 3.284,1174 3.251,1175 4.576,1176 3.245,1177 3.345,1178 3.415,1179 3.21,1180 3.117,1181 4.127,1182 3.129,1183 3.263,1184 3.341,1185 3.103,1186 3.075,1187 4.026,1188 3.074,1189 0.13,1190 0.091,1191 0.187,1192 0.116,1193 0.088,1194 4.55,1195 0.129,1196 3.187,1197 0.025,1198 6.546,1199 0.296,1200 4.076,1201 0.087,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.938,1208 1.92,1209 2.038,1210 2.033,1211 1.357,1212 2.033,1213 1.936,1214 1.918,1215 2.021,1216 2.024,1217 1.226,1218 2.023,1219 1.743,1220 1.684,1221 1.982,1222 1.905,1223 1.222,1224 1.935,1225 1.649,1226 1.591,1227 1.852,1228 1.846,1229 1.048,1230 1.854,1231 1.647,1232 1.588,1233 1.849,1234 1.845,1235 1.014,1236 1.852,1237 1.438,1238 1.377,1239 1.72,1240 1.675,1241 0.992,1242 1.688,1243 1.286,1244 1.201,1245 1.524,1246 1.574,1247 0.607,1248 1.568,1249 1.275,1250 1.186,1251 1.52,1252 1.549,1253 0.555,1254 1.553,1255 4.263,1257 5.541,1258 3.045,1259 7.011,1260 5.416,1261 8.581,1262 7.516,1263 10.209,1269 11.41,1271 8.858,1273 11.937,1280 39.417,1281 93.745,1282 227.472,1283 291.42,1284 308.93,1285 308.93,1286 308.93,1287 50.482,1288 7.909,1289 102.08,1290 102.08,1291 22,1292 12.568,1293 4.392,1294 3.459,1295 52.655,1296 194,1297 153,1298 0.128,1299 242.348,1300 405.78,1301 583.09,1302 39734,1304 22.175,1305 0.693,1306 0.583,1307 22.175,1308 18.661,1309 15.78,1310 0.451,1311 0.333,1312 11.509,1313 15.279,1314 11.307,1315 9.379,1316 15.78,1317 11.64,1318 13.157,1319 0.286,1320 0.179,1321 13.157,1322 8.231,1323 11.135,1324 0.183,1325 0.096,1326 11.135,1327 5.881,1328 9.43,1329 0.118,1330 0.052,1331 9.43,1332 4.157,1333 7.435,1334 0.078,1335 0.029,1336 7.435,1337 2.711,1338 0.217,1339 98.109,1340 0.204,1341 31.336,1342 0.314,1343 162,1344 392.761,1345 173.915,1346 380.817,1347 535.18,1348 362,1349 188,1350 401.698,1351 199.64,1352 406.11,1353 595.58,1354 386,1355 9.337} {0 CHEMBL424154,1 1.348,2 14.781,3 3.731,4 13.921,5 132.15,6 6.697,7 0.583,8 4.244,9 4.388,10 3.74,11 3.779,12 5.211,13 3.737,14 4.815,15 5.02,16 4.069,17 4.206,18 5.687,19 4.131,20 5.074,21 5.319,22 3.997,23 4.34,24 5.828,25 4.198,26 5.18,27 5.464,28 3.93,29 4.329,30 5.883,31 4.16,32 5.135,33 5.427,34 3.906,35 4.28,36 5.816,37 4.114,38 5.072,39 5.345,40 3.913,41 4.261,42 5.787,43 4.106,44 5.085,45 5.373,46 3.886,47 4.228,48 5.784,49 4.072,50 4.999,51 5.283,52 3.769,53 4.145,54 5.715,55 3.982,56 0.098,57 0.997,58 14.964,59 5.716,60 12.342,61 8.394,62 0.271,63 1.633,64 27.596,65 9.514,66 23.439,67 14.369,68 0.246,69 1.913,70 35.996,71 13.349,72 26.753,73 19.98,74 0.332,75 1.998,76 40.84,77 14.519,78 34.632,79 22.048,80 0.302,81 1.888,82 39.083,83 14.153,84 31.875,85 21.41,86 0.277,87 1.834,88 36.421,89 13.198,90 28.23,91 19.93,92 0.317,93 1.822,94 37.288,95 12.863,96 29.882,97 19.722,98 0.32,99 1.677,100 34.171,101 11.907,102 29.404,103 18.13,104 2,105 49,106 0.214,107 0.562,108 0.784,109 0.873,110 0.887,111 0.887,112 3.502,113 0.972,114 -5.08,115 -4.97,116 -4.66,119 40.6,120 1,121 2,122 1,125 5,127 1,140 8,141 4,146 1,149 1,150 1,158 1,164 1,169 13,171 2,172 4,176 6,178 13,182 4,186 6,189 10,193 6,195 1,197 3,199 9,203 6,206 1,208 1,211 8,215 8,218 1,220 1,222 6,226 5,229 1,231 3,233 5,236 1,237 3,240 1,242 1,244 7,248 1,249 1,253 1,254 1,256 6,259 1882,260 22.239,261 22.239,262 22.239,263 22.239,264 22.239,265 19.762,266 27.379,267 13.361,268 22.63,269 17.825,270 17.825,271 17.825,272 17.825,273 17.825,274 14.188,275 39.185,276 6.423,277 18.443,278 4.652,279 2.461,280 1.067,281 0.504,282 0.418,283 0.418,284 4.213,289 1,290 1054,291 3.464,294 266.027,295 212.834,298 143.324,302 2.357,303 13.755,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 67,315 473,316 4.552,317 3.19,318 6.548,319 4.084,320 3.097,321 4.504,322 0.8,323 10.366,324 3.057,325 4.048,326 3.097,327 6.02,328 3.787,329 2.809,330 3.538,331 0.657,332 8.551,333 2.752,334 3.979,335 2.946,336 5.645,337 3.672,338 2.709,339 3.522,340 0.522,341 7.872,342 2.608,343 3.74,344 2.832,345 5.565,346 3.575,347 2.624,348 3.058,350 7.639,351 2.502,352 3.607,353 2.336,354 5.158,355 3.184,356 2.21,357 2.754,359 6.243,360 2.144,361 3.337,362 2.201,363 4.999,364 3.005,365 2.046,366 2.648,368 5.885,369 1.959,370 3.164,371 2.038,372 4.884,373 2.854,374 1.884,375 2.333,377 5.577,378 1.822,379 2.956,380 1.849,381 4.278,382 2.733,383 1.754,384 1.995,386 4.157,387 1.713,388 2.73,389 1.342,390 4.144,391 2.258,392 1.286,393 1.826,395 3.479,396 1.249,397 2.582,398 1.284,399 3.5,400 2.135,401 1.173,402 1.615,404 2.675,405 1.128,406 2.5,407 1.221,408 3.443,409 2.078,410 1.144,411 1.5,413 2.57,414 1.064,415 2.449,416 1,417 3.333,418 2,419 1,420 1.439,422 2.136,423 1,424 2.216,425 0.958,426 3.268,427 1.846,428 0.88,429 1.118,431 2.042,432 0.848,433 2.118,434 0.832,435 3.247,436 1.703,437 0.733,438 0.927,440 1.743,441 0.709,442 1.835,443 0.618,444 3.087,445 1.532,446 0.618,447 0.798,449 1.372,450 0.564,451 15.4,452 0.481,453 0.602,454 0.019,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 29.516,462 0.922,463 34.4,464 0.538,465 26.388,466 0.825,467 7.493,468 0.234,469 8.25,470 0.258,471 0.032,473 0.279,479 0.937,480 1.366,481 0.89,482 1.12,483 0.823,484 1.02,485 1.299,486 1.061,487 1.043,488 0.976,489 0.921,490 0.983,491 0.985,492 1.14,493 1.119,494 1.17,495 0.87,496 1.16,497 0.923,498 0.991,499 1.014,500 1.03,501 0.873,502 1.031,503 0.767,504 0.934,505 0.889,506 0.949,507 0.746,508 0.934,509 0.851,510 1.055,511 0.988,512 1.063,513 0.901,514 1.043,515 0.962,516 0.955,517 0.938,518 0.94,519 0.817,520 0.937,521 0.966,522 0.954,523 1.023,524 1.005,525 0.964,526 1.017,527 5.5,528 0.104,529 2.889,530 1.708,531 1.049,532 0.657,533 0.572,534 0.341,535 0.164,536 0.134,537 17803,538 37241,539 2.194,540 50,542 19,543 1,544 2,545 2,547 7,548 1,550 1.739,551 2.133,552 3.829,553 0.146,559 86.279,560 1.348,561 3.539,562 4.933,563 5.496,564 5.582,565 5.582,566 3.296,567 4.5,568 4.97,569 4.032,570 1999.96,571 8.661,572 31429,574 1,577 384,578 1.043,579 4.964,580 0.153,581 0.004,582 0.059,583 0.04,584 0.027,585 0.017,586 0.015,587 0.009,588 0.005,589 0.005,590 0.333,591 0.17,592 0.88,593 0.313,594 172.924,595 0.115,596 -0.128,597 0.081,598 -0.036,599 0.126,600 0.01,601 -0.07,602 0.097,603 -0.048,604 0.033,605 0.04,606 0.001,607 -0.108,608 -0.118,609 -0.152,610 -0.147,611 -0.052,612 -0.153,613 -0.016,614 -0.04,615 -0.036,616 -0.044,617 -0.006,618 -0.042,619 0.067,620 -0.009,621 0.086,622 0.043,623 0.091,624 0.062,625 0.027,626 -0.087,627 -0.014,628 -0.063,629 -0.039,630 -0.046,631 0.011,632 -0.003,633 0.049,634 0.033,635 0.049,636 0.043,637 0.017,638 0.009,639 -0.038,640 -0.03,641 -0.034,642 -0.038,643 0.928,644 1.236,645 0.781,646 40.152,647 0.986,648 1.131,649 3.847,650 14.802,651 0.655,652 3.611,653 3.912,654 4.174,655 4.419,656 4.533,657 4.595,658 4.762,659 4.92,660 4.977,661 5.088,662 8.636,663 0.609,664 428.64,665 3.611,666 5.142,667 5.984,668 6.845,669 7.699,670 8.564,671 9.424,672 10.292,673 11.156,674 12.026,675 9.4,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 36,720 68,721 26,722 16,723 4,724 8,730 5,731 6,736 1,740 1,741 1,743 3,745 16,746 10,747 1,764 32,765 4,766 2,767 6,773 6,777 0.8,788 1,789 1,792 3,793 2,796 1,814 1,815 1,819 4,823 1,827 32,833 7,834 1,837 2,838 1,844 1,854 15,855 11.383,856 7,857 3.991,858 3.529,859 1.431,860 1.008,861 6.562,862 11.719,863 3.861,864 4.431,865 4.996,866 5.56,867 5.948,868 6.192,869 6.619,870 7.023,871 7.171,872 7.499,873 0.9,874 43,875 11.835,877 4.97,878 7.391,879 23.64,881 19.98,883 1.891,884 60.5,888 353.133,889 140.791,890 73.146,895 140.791,896 353.133,897 73.146,898 8.825,899 15.598,900 102.868,901 65.609,902 42.435,903 13.915,904 317.82,906 353.133,907 213.937,911 258.964,912 94.169,915 81.357,916 99.131,917 33.449,919 353.133,920 73.146,921 140.791,924 353.133,925 29.871,926 115.821,927 34.796,928 33.449,929 353.133,930 73.146,931 140.791,933 0.575,934 0.333,935 0.179,936 0.086,937 24,938 9,939 0.132,940 9,941 1,942 1.08,943 4.649,944 282.593,945 0.08,946 25,947 156,951 21.234,952 9.888,953 5.248,954 2.539,955 54.584,956 22.897,957 8.268,958 3.443,961 4.022,962 1.866,963 34.796,964 567.07,965 46.5,975 63.098,976 72.387,977 0.225,978 0.59,979 0.822,980 0.916,981 0.93,982 0.93,983 5.083,984 1.754,985 5.938,986 5.577,987 4.595,988 5.118,989 1.214,990 6.696,991 4.532,992 6.252,993 1.286,994 7.456,995 4.157,996 4.007,997 4.732,998 0.325,999 7.455,1000 3.932,1001 7.528,1002 1.173,1003 9.072,1004 3.479,1005 6.138,1006 7.267,1007 0.684,1008 10.539,1009 6.024,1010 8.843,1011 1.144,1012 10.747,1013 2.675,1014 6.431,1015 7.827,1016 0.268,1017 12.175,1018 6.305,1019 10.193,1020 1,1021 12.461,1022 2.57,1023 7.95,1024 9.753,1025 0.387,1026 14.733,1027 7.795,1028 11.568,1029 0.88,1030 14.202,1031 2.136,1032 8.65,1033 10.78,1034 0.188,1035 16.743,1036 8.484,1037 12.964,1038 0.733,1039 15.964,1040 2.042,1041 9.919,1042 12.453,1043 0.223,1044 19.13,1045 9.731,1046 3.097,1047 0.618,1048 17.742,1049 1.743,1050 10.819,1051 13.72,1052 0.125,1053 21.31,1054 10.621,1055 2.809,1056 10.366,1057 19.533,1058 1.372,1059 11.981,1060 15.286,1061 0.132,1062 23.644,1063 11.766,1064 2.709,1065 8.551,1066 21.335,1067 4.504,1068 12.98,1069 16.673,1070 0.082,1071 25.902,1072 12.755,1073 2.624,1074 7.872,1075 23.145,1076 3.538,1077 14.099,1078 18.196,1079 0.079,1080 28.224,1081 13.861,1082 2.21,1083 7.639,1084 24.963,1085 3.522,1086 15.148,1087 19.642,1088 0.054,1089 30.519,1090 14.901,1091 2.046,1092 6.243,1093 26.788,1094 3.058,1095 16.252,1096 21.149,1097 0.049,1098 32.842,1099 15.994,1100 1.884,1101 5.885,1102 28.618,1103 2.754,1104 17.328,1105 22.624,1106 0.035,1107 35.156,1108 17.061,1109 16283,1110 23740,1111 25.137,1112 41.932,1113 53.625,1114 53.393,1115 53.409,1116 53.384,1117 53.436,1118 68.794,1119 3.958,1120 148.222,1121 51.687,1122 5.516,1123 5.19,1124 6.35,1125 5.135,1126 5.097,1127 7.504,1128 1.457,1129 17.034,1130 5.057,1131 7.679,1132 1.49,1133 1.483,1134 1.484,1135 1.483,1136 1.484,1137 1.911,1138 0.11,1139 4.117,1140 1.436,1141 4.147,1142 4.184,1143 4.102,1144 4.063,1145 5.09,1146 4.068,1147 3.951,1148 3.998,1149 3.867,1150 3.872,1151 4.946,1152 3.866,1153 3.869,1154 3.944,1155 3.815,1156 3.725,1157 4.763,1158 3.723,1159 3.847,1160 3.907,1161 3.747,1162 3.591,1163 4.392,1164 3.633,1165 3.523,1166 3.593,1167 3.403,1168 3.378,1169 4.282,1170 3.38,1171 3.449,1172 3.515,1173 3.321,1174 3.291,1175 4.177,1176 3.286,1177 3.283,1178 3.365,1179 3.123,1180 3.101,1181 3.865,1182 3.099,1183 3.073,1184 3.173,1185 2.877,1186 2.885,1187 3.716,1188 2.872,1189 0.126,1190 0.089,1191 0.182,1192 0.113,1193 0.086,1194 4.552,1195 0.125,1196 3.19,1197 0.022,1198 6.548,1199 0.288,1200 4.084,1201 0.085,1202 3.097,1203 4.504,1204 0.8,1205 10.366,1206 3.057,1207 1.966,1208 1.943,1209 2.061,1210 2.051,1211 1.326,1212 2.054,1213 1.926,1214 1.895,1215 2.057,1216 2.025,1217 1.285,1218 2.039,1219 1.696,1220 1.636,1221 1.912,1222 1.883,1223 1.178,1224 1.891,1225 1.672,1226 1.612,1227 1.88,1228 1.842,1229 1.15,1230 1.866,1231 1.466,1232 1.389,1233 1.717,1234 1.748,1235 0.913,1236 1.716,1237 1.438,1238 1.365,1239 1.646,1240 1.652,1241 0.831,1242 1.667,1243 1.405,1244 1.332,1245 1.612,1246 1.613,1247 0.77,1248 1.633,1249 1.213,1250 1.134,1251 1.407,1252 1.494,1253 0.559,1254 1.464,1255 4.29,1257 5.595,1258 3.434,1259 7.071,1260 5.687,1261 8.624,1262 7.67,1263 10.222,1265 2.26,1271 7.706,1272 3.736,1275 1.14,1276 2.623,1280 38.977,1281 86.279,1282 226.481,1283 315.735,1284 351.735,1285 357.245,1286 357.245,1287 39.996,1288 8.19,1289 61.77,1290 61.77,1291 27,1292 12.57,1293 4.459,1294 3.524,1295 46.059,1296 168,1297 156,1298 0.131,1299 237.624,1300 395.2,1301 571.561,1302 51341,1304 21.753,1305 0.68,1306 0.586,1307 21.753,1308 18.744,1309 15.742,1310 0.437,1311 0.324,1312 11.534,1313 15.264,1314 11.25,1315 9.33,1316 15.742,1317 11.664,1318 13.902,1319 0.284,1320 0.184,1321 13.902,1322 9.033,1323 11.892,1324 0.186,1325 0.105,1326 11.892,1327 6.723,1328 9.817,1329 0.12,1330 0.058,1331 9.817,1332 4.796,1333 7.232,1334 0.079,1335 0.035,1336 7.232,1337 3.188,1338 0.214,1339 97.541,1340 0.199,1341 30.827,1342 0.334,1343 170,1344 377.246,1345 180.824,1346 377.455,1347 533.29,1348 358,1349 198,1350 405.068,1351 210.489,1352 415.787,1353 601.44,1354 391,1355 8.563} {0 CHEMBL424837,1 1.718,2 11.824,3 4.809,4 23.13,5 122.666,6 7.751,7 0.324,8 4.235,9 4.359,10 3.818,11 3.69,12 5.356,13 3.698,14 4.843,15 5.033,16 4.29,17 4.103,18 6.292,19 4.106,20 5.07,21 5.268,22 4.372,23 4.314,24 6.218,25 4.289,26 5.27,27 5.49,28 4.415,29 4.37,30 6.648,31 4.321,32 5.302,33 5.564,34 4.28,35 4.311,36 6.453,37 4.235,38 5.139,39 5.374,40 4.209,41 4.267,42 6.196,43 4.204,44 5.169,45 5.391,46 4.258,47 4.29,48 6.47,49 4.21,50 5.166,51 5.424,52 4.088,53 4.218,54 6.192,55 4.127,56 0.174,57 1.182,58 12.148,59 5.743,60 24.049,61 7.183,62 1.151,63 2.202,64 27.726,65 9.229,66 154.95,67 12.204,68 0.769,69 2.32,70 33.531,71 12.088,72 61.226,73 16.098,74 1.525,75 2.838,76 45.072,77 15.005,78 219.113,79 19.644,80 1.556,81 2.165,82 50.105,83 14.392,84 167.719,85 20.93,86 1.065,87 2.034,88 39.976,89 13.139,90 111.543,91 17.771,92 1.484,93 2.077,94 40.793,95 13.663,96 184.578,97 18.841,98 1.011,99 2.049,100 42.296,101 13.346,102 121.383,103 18.691,104 86,105 56,106 0.278,107 0.595,108 0.79,109 0.835,110 0.835,111 0.835,112 3.561,113 0.902,114 -4.68,115 -4.6,116 -4.32,119 38.7,120 2,121 1,124 2,125 3,127 2,131 1,140 5,141 2,142 5,157 1,169 5,171 1,172 7,174 2,176 1,178 4,181 2,182 6,186 2,189 3,192 1,193 7,197 4,199 1,202 1,203 7,208 1,211 2,214 2,215 5,218 1,222 5,225 2,226 3,229 1,233 9,237 2,244 7,248 1,249 5,252 1,254 2,256 1,259 2022,260 21.996,261 21.996,262 21.996,263 21.996,264 21.996,265 20.425,266 34.776,267 12.245,268 22.81,269 18.113,270 18.113,271 18.113,272 18.113,273 18.113,274 15.527,275 51.754,276 5.659,277 19.434,278 4.236,279 2.284,280 1.079,281 0.803,282 0.803,283 0.803,284 4.245,289 1,290 850,291 4.123,294 80.062,295 314.838,298 142.815,302 1.855,303 61.283,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 78,315 402,316 4.582,317 4.476,318 7.265,319 4.275,320 3.393,321 4.153,322 3.825,323 12.29,324 3.104,325 4.515,326 3.758,327 6.761,328 4.192,329 3.237,330 4.117,331 1.701,332 11.097,333 3.017,334 4.131,335 3.391,336 6.487,337 3.958,338 3.021,339 3.394,340 0.86,341 10.085,342 2.828,343 3.951,344 3.179,345 6.224,346 3.712,347 2.778,348 3.167,349 0.8,350 8.981,351 2.589,352 3.853,353 3.107,354 6.068,355 3.565,356 2.652,357 2.943,358 0.8,359 8.623,360 2.394,361 3.546,362 2.872,363 5.604,364 3.216,365 2.253,366 2.754,367 0.563,368 7.185,369 2.142,370 3.183,371 2.449,372 5.162,373 2.874,374 1.954,375 2.336,376 0.075,377 5.944,378 1.833,379 2.896,380 1.982,381 4.879,382 2.856,383 1.879,384 2.046,386 5.225,387 1.787,388 2.879,389 1.975,390 4.798,391 2.525,392 1.595,393 1.958,395 4.925,396 1.471,397 2.849,398 1.902,399 4.521,400 2.426,401 1.459,402 1.879,404 4.304,405 1.393,406 2.72,407 1.674,408 4.017,409 2.38,410 1.414,411 1.749,413 3.176,414 1.343,415 2.332,416 1.572,417 3.851,418 2.074,419 1.101,420 1.267,422 2.915,423 1.061,424 1.972,425 1.176,426 3.739,427 1.788,428 0.853,429 0.923,431 2.222,432 0.791,433 1.515,434 0.91,435 3.11,436 1.323,437 0.37,438 0.413,440 0.865,441 0.351,442 1.431,443 0.809,444 3.016,445 1.257,446 0.368,447 0.377,449 0.64,450 0.324,451 15.41,452 0.453,453 1.252,454 0.037,455 38.5,456 1.132,457 15.5,458 0.456,459 23,460 0.676,461 36.153,462 1.063,463 39.79,464 0.642,465 35.835,466 1.054,467 7.704,468 0.227,469 8.303,470 0.244,471 0.226,472 0.032,473 0.402,476 3,477 1,479 0.612,480 1.193,481 0.697,482 1.261,483 0.55,484 1.073,485 0.583,486 0.795,487 0.695,488 0.838,489 0.384,490 0.806,491 0.69,492 0.954,493 0.86,494 1.082,495 0.56,496 1.038,497 0.787,498 0.98,499 0.969,500 1.188,501 0.732,502 1.158,503 0.691,504 0.659,505 0.823,506 0.845,507 0.612,508 0.88,509 0.787,510 0.777,511 0.916,512 0.941,513 0.699,514 0.968,515 0.548,516 0.749,517 0.917,518 1.06,519 0.47,520 1.124,521 0.755,522 0.852,523 0.925,524 1.009,525 0.694,526 1.028,527 9,528 0.236,529 5.556,530 3.507,531 2.645,532 1.597,533 1.217,534 0.717,535 0.624,536 0.407,537 15270,538 48537,539 1.984,540 45.2,542 19,545 1,547 8,550 1.763,551 1.782,552 3.529,553 -0.304,559 106.515,560 1.718,561 3.67,562 4.875,563 5.151,564 5.151,565 5.151,566 2.938,567 4.712,568 5.061,569 3.721,570 2087.59,571 8.888,572 31198.6,577 369.16,578 1.714,579 4.969,580 0.243,581 0.008,582 0.099,583 0.057,584 0.046,585 0.031,586 0.024,587 0.014,588 0.015,589 0.011,590 0.548,591 0.5,592 0.88,593 0.898,594 180.606,595 -0.037,596 -0.184,597 0.045,598 -0.115,599 -0.058,600 -0.031,601 0.236,602 0.191,603 0.189,604 0.171,605 0.325,606 0.166,607 -0.021,608 -0.067,609 -0.01,610 -0.069,611 0.027,612 -0.041,613 0.092,614 -0.025,615 -0.035,616 -0.181,617 0.149,618 -0.162,619 0.078,620 0.052,621 0.137,622 0.08,623 0.074,624 0.114,625 -0.046,626 0.015,627 -0.002,628 0.039,629 -0.041,630 0.038,631 0.203,632 0.047,633 -0.009,634 -0.068,635 0.203,636 -0.116,637 -0.052,638 -0.107,639 0.006,640 -0.051,641 -0.027,642 -0.013,643 6.104,644 6.442,645 0.618,646 34.145,647 1.024,648 1.155,649 3.448,650 11.892,651 0.635,652 3.638,653 4.043,654 4.331,655 4.595,656 4.812,657 4.956,658 5.124,659 5.242,660 5.342,661 5.447,662 7.199,663 0.62,664 480.56,665 3.638,666 5.231,667 6.107,668 7.022,669 7.915,670 8.83,671 9.729,672 10.644,673 11.547,674 12.462,675 6.5,678 1,681 1,682 2,688 5,693 7,695 12,709 1,712 1,713 1,714 62,716 13,717 2,718 37,720 65,721 24,722 12,723 7,724 5,730 4,731 5,735 1,736 3,740 3,742 1,743 3,745 13,746 11,750 1,755 1,759 1,762 4,764 28,765 10,766 1,767 10,773 4,777 0.75,778 2,792 1,793 3,796 1,815 1,819 3,823 4,825 4,827 34,833 4,834 1,835 1,837 2,838 3,839 1,846 4,847 3.2,850 1,852 1,854 19.083,855 12.338,856 7.25,857 3.711,858 2.269,859 1.278,860 0.965,861 6.827,862 10.442,863 3.807,864 4.394,865 4.92,866 5.437,867 5.927,868 6.17,869 6.486,870 6.701,871 6.895,872 7.149,873 0.875,874 61,875 13.477,877 6.619,878 8.213,879 23.534,881 19.704,883 2.713,884 92.25,888 317.82,889 134.204,890 27.384,892 36.145,893 59.84,895 134.204,896 353.965,897 87.224,898 36.93,899 29.987,900 47.381,901 25.145,902 91.135,903 19.236,904 317.82,905 7.76,906 317.82,907 161.588,908 95.985,911 238.611,912 175.194,915 58.521,916 103.067,919 377.66,920 63.529,921 134.204,924 325.579,925 42.133,926 93.684,927 18.011,928 95.985,929 317.82,930 123.369,931 134.204,933 0.606,934 0.363,935 0.187,936 0.098,937 28,938 15,939 0.046,940 3,941 1,942 1.095,943 4.174,944 332.096,945 0.095,946 21,947 162.219,951 24.776,952 9.369,953 4.776,955 123.369,956 6.612,961 -0.359,963 18.011,964 575.393,965 44,970 12.995,974 -0.687,975 63.483,976 71.584,977 0.289,978 0.616,979 0.819,980 0.865,981 0.865,982 0.865,983 5.124,984 1.879,985 6.168,986 5.944,987 4.727,988 5.081,989 3.39,990 7.072,991 4.595,992 6.354,993 1.595,994 7.803,995 5.225,996 4.635,997 5.085,998 3.971,999 8.263,1000 4.367,1001 7.694,1002 1.459,1003 9.541,1004 4.925,1005 6.463,1006 7.225,1007 5.478,1008 11.33,1009 6.186,1010 9.066,1011 1.414,1012 11.336,1013 4.304,1014 7.124,1015 7.975,1016 6.704,1017 13.276,1018 6.708,1019 10.467,1020 1.101,1021 13.168,1022 3.176,1023 8.512,1024 9.692,1025 8.067,1026 15.929,1027 8.071,1028 11.889,1029 0.853,1030 15.023,1031 2.915,1032 9.478,1033 10.772,1034 9.392,1035 18.175,1036 8.915,1037 13.327,1038 0.37,1039 16.897,1040 2.222,1041 10.722,1042 12.327,1043 10.736,1044 20.699,1045 10.111,1046 3.393,1047 0.368,1048 18.784,1049 0.865,1050 11.813,1051 13.569,1052 12.075,1053 23.073,1054 11.097,1055 3.237,1056 12.29,1057 20.683,1058 0.64,1059 13.011,1060 15.052,1061 13.417,1062 25.558,1063 12.232,1064 3.021,1065 11.097,1066 22.59,1067 4.153,1068 14.156,1069 16.376,1070 14.758,1071 27.989,1072 13.282,1073 2.778,1074 10.085,1075 24.506,1076 4.117,1077 15.343,1078 17.826,1079 16.1,1080 30.466,1081 14.395,1082 2.652,1083 8.981,1084 26.428,1085 3.394,1086 16.512,1087 19.193,1088 17.441,1089 32.925,1090 15.475,1091 2.253,1092 8.623,1093 28.356,1094 3.167,1095 17.699,1096 20.627,1097 18.783,1098 35.404,1099 16.582,1100 1.954,1101 7.185,1102 30.289,1103 2.943,1104 18.882,1105 22.017,1106 20.124,1107 37.879,1108 17.677,1109 14893,1110 27067,1111 23.293,1112 39.341,1113 57.453,1114 58.128,1115 60.217,1116 57.13,1117 56.935,1118 67.287,1119 17.25,1120 177.595,1121 53.107,1122 5.582,1123 6.476,1124 6.787,1125 5.342,1126 5.393,1127 7.153,1128 5.335,1129 20.012,1130 5.104,1131 23.45,1132 1.553,1133 1.571,1134 1.627,1135 1.544,1136 1.539,1137 1.819,1138 0.466,1139 4.8,1140 1.435,1141 4.062,1142 4.099,1143 4.017,1144 3.952,1145 8.513,1146 3.963,1147 3.939,1148 3.967,1149 3.913,1150 3.846,1151 8.2,1152 3.855,1153 3.843,1154 3.906,1155 3.74,1156 3.672,1157 7.999,1158 3.679,1159 3.529,1160 3.571,1161 3.478,1162 3.315,1163 7.999,1164 3.339,1165 3.367,1166 3.452,1167 3.336,1168 3.217,1169 7.429,1170 3.19,1171 3.36,1172 3.412,1173 3.151,1174 3.083,1175 4.854,1176 3.129,1177 3.226,1178 3.311,1179 3.139,1180 2.965,1181 4.618,1182 2.993,1183 3.209,1184 3.258,1185 3.036,1186 2.922,1187 4.441,1188 2.941,1189 0.124,1190 0.121,1191 0.196,1192 0.116,1193 0.092,1194 4.582,1195 0.112,1196 4.476,1197 0.103,1198 7.265,1199 0.332,1200 4.275,1201 0.084,1202 3.393,1203 4.153,1204 3.825,1205 12.29,1206 3.104,1207 1.927,1208 1.898,1209 2.055,1210 2.079,1211 1.36,1212 2.075,1213 1.894,1214 1.87,1215 1.973,1216 2.017,1217 1.171,1218 2,1219 1.768,1220 1.713,1221 1.925,1222 1.917,1223 1.087,1224 1.919,1225 1.512,1226 1.449,1227 1.733,1228 1.753,1229 0.989,1230 1.743,1231 1.405,1232 1.325,1233 1.731,1234 1.606,1235 0.97,1236 1.655,1237 1.252,1238 1.198,1239 1.57,1240 1.541,1241 0.652,1242 1.544,1243 1.178,1244 1.098,1245 1.545,1246 1.49,1247 0.579,1248 1.5,1249 1.133,1250 1.061,1251 1.44,1252 1.443,1253 0.558,1254 1.421,1255 4.317,1257 5.7,1258 2.398,1259 7.27,1260 4.727,1261 8.926,1262 6.843,1263 10.626,1265 7.979,1267 53.602,1271 2.43,1272 2.314,1273 5.643,1275 0.62,1276 5.954,1277 -4.854,1280 38.424,1281 106.515,1282 227.569,1283 302.266,1284 319.386,1285 319.386,1286 319.386,1287 95.647,1288 8.173,1289 48.05,1290 48.05,1291 23,1292 12.976,1293 3.807,1294 3,1295 56.796,1296 147,1297 130,1298 0.189,1299 230.884,1300 419.9,1301 555.116,1302 41486,1303 6.5,1304 24.784,1305 0.729,1306 0.575,1307 21.413,1308 19.54,1309 16.006,1310 0.433,1311 0.301,1312 10.869,1313 15.027,1314 10.56,1315 8.71,1316 14.367,1317 11.129,1318 15.749,1319 0.281,1320 0.159,1321 13.365,1322 8.918,1323 13.042,1324 0.174,1325 0.09,1326 11.537,1327 6.767,1328 10.72,1329 0.109,1330 0.048,1331 9.533,1332 4.656,1333 8.238,1334 0.068,1335 0.025,1336 7.429,1337 3.079,1338 0.295,1339 102.989,1340 0.207,1341 31.033,1342 0.525,1343 186,1344 775.184,1345 221.737,1346 632.151,1347 824.39,1348 586,1349 224,1350 579.571,1351 254.899,1352 560.409,1353 846.71,1354 523,1355 6.8} {0 CHEMBL425190,1 1.394,2 14.161,3 4.148,4 17.208,5 123.637,6 6.993,7 0.629,8 4.169,9 4.292,10 3.706,11 3.733,12 5.165,13 3.698,14 4.731,15 4.92,16 4.042,17 4.125,18 5.657,19 4.072,20 4.984,21 5.201,22 4.1,23 4.288,24 5.856,25 4.196,26 5.059,27 5.305,28 3.971,29 4.274,30 5.853,31 4.136,32 5.05,33 5.317,34 3.849,35 4.191,36 5.788,37 4.041,38 4.943,39 5.208,40 3.766,41 4.099,42 5.693,43 3.954,44 4.866,45 5.125,46 3.7,47 4.063,48 5.612,49 3.911,50 4.823,51 5.087,52 3.61,53 4.007,54 5.533,55 3.84,56 0.044,57 0.861,58 12.908,59 5.453,60 8.357,61 7.502,62 0.219,63 1.448,64 24.617,65 8.644,66 21.005,67 12.284,68 0.369,69 1.78,70 32.586,71 11.693,72 30.636,73 16.622,74 0.329,75 1.814,76 35.708,77 13.71,78 32.139,79 19.503,80 0.315,81 1.742,82 36.287,83 13.357,84 31.902,85 19.094,86 0.348,87 1.608,88 32.49,89 11.518,90 30.269,91 16.74,92 0.297,93 1.513,94 29.696,95 11.057,96 26.167,97 15.916,98 0.181,99 1.418,100 28.283,101 11.052,102 21.151,103 15.969,104 2,105 48,106 0.225,107 0.51,108 0.702,109 0.823,110 0.863,111 0.863,112 3.471,113 0.945,114 -3.61,115 -3.58,116 -3.41,119 44.1,120 1,125 7,140 10,141 3,142 1,143 1,144 3,169 10,172 10,178 11,181 2,182 8,189 9,192 2,193 6,199 8,203 5,211 3,214 1,215 5,222 1,225 2,226 4,237 5,249 5,259 1596,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 18.986,266 20.284,267 12.918,268 22.068,269 17.329,270 17.329,271 17.329,272 17.329,273 17.329,274 13.509,275 26.522,276 6.155,277 18.1,278 4.488,279 2.718,280 1.525,281 0.771,282 0.521,283 0.521,284 4.189,288 1,289 1,290 985,291 2.915,295 441.011,299 293.99,302 2.21,303 15.438,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 439,316 4.516,317 3.192,318 6.517,319 4.028,320 3.054,321 4.458,322 0.916,323 10.248,324 2.992,325 4.497,326 3.179,327 6.515,328 4.026,329 3.046,330 4.431,331 0.86,332 10.241,333 2.968,334 3.722,335 2.928,336 5.537,337 3.571,338 2.646,339 3.17,340 0.8,341 7.499,342 2.447,343 3.69,344 2.639,345 5.326,346 3.293,347 2.349,348 2.948,349 0.172,350 6.749,351 2.22,352 3.479,353 2.556,354 5.269,355 3.204,356 2.259,357 2.636,359 6.653,360 2.143,361 3.296,362 2.158,363 4.968,364 2.897,365 1.934,366 2.594,368 5.675,369 1.848,370 3.118,371 2.081,372 4.813,373 2.833,374 1.875,375 2.427,377 5.291,378 1.788,379 3.109,380 1.618,381 4.196,382 2.586,383 1.618,384 2.221,386 3.818,387 1.565,388 2.99,389 1.602,390 4.142,391 2.512,392 1.524,393 2.139,395 3.768,396 1.504,397 2.766,398 1.466,399 3.594,400 2.261,401 1.273,402 1.897,404 2.834,405 1.257,406 2.493,407 1.278,408 3.527,409 2.161,410 1.23,411 1.491,413 2.715,414 1.135,415 2.342,416 1.146,417 3.414,418 1.967,419 1,420 1.278,422 2.275,423 0.965,424 2.132,425 1.027,426 3.356,427 1.889,428 0.922,429 1.071,431 2.15,432 0.889,433 2,434 0.953,435 3.291,436 1.814,437 0.849,438 1,440 1.964,441 0.816,442 1.418,443 0.477,444 2.899,445 1.19,446 0.246,447 0.276,449 0.6,450 0.23,451 14.933,452 0.482,453 0.585,454 0.019,455 41,456 1.323,457 20.5,458 0.661,459 20.5,460 0.661,461 25.649,462 0.827,463 32.467,464 0.55,465 28.492,466 0.919,467 8.168,468 0.263,469 7.091,470 0.229,471 0.033,473 0.288,479 0.876,480 1.38,481 0.823,482 1.121,483 0.807,484 0.992,485 1.495,486 1.083,487 0.992,488 0.903,489 0.996,490 0.891,491 1.336,492 0.983,493 1.084,494 0.972,495 1.073,496 0.994,497 0.959,498 1.042,499 1.039,500 1.104,501 0.912,502 1.087,503 1.246,504 1,505 1.011,506 0.992,507 1.115,508 0.989,509 1.191,510 0.984,511 1.068,512 0.975,513 1.16,514 1.004,515 1.006,516 0.961,517 1.097,518 1.035,519 1.103,520 1.069,521 0.759,522 1.138,523 1.025,524 1.139,525 0.85,526 1.117,527 5,528 0.115,529 3.111,530 1.563,531 1.444,532 0.625,533 0.443,534 0.3,535 0.208,536 0.145,537 16325,538 35307,539 2.2,540 47.5,542 24,544 1,546 3,550 1.728,551 2.138,552 3.73,553 -0.831,555 1,559 82.259,560 1.394,561 3.165,562 4.358,563 5.111,564 5.361,565 5.361,566 3.168,567 4.672,568 4.931,569 3.949,570 1836.2,571 8.561,572 28061.9,574 1,577 347.076,578 1.058,579 4.918,580 0.143,581 0.005,582 0.065,583 0.032,584 0.035,585 0.017,586 0.013,587 0.01,588 0.007,589 0.006,590 0.334,591 0.5,592 0.88,593 0.32,594 165.474,595 0.047,596 -0.234,597 0.088,598 -0.087,599 0.057,600 -0.012,601 -0.168,602 0.041,603 -0.01,604 0.057,605 0.01,606 0.045,607 -0.061,608 0.076,609 -0.094,610 -0.007,611 0.006,612 -0.044,613 0.07,614 -0.077,615 -0.057,616 -0.112,617 0.085,618 -0.099,619 -0.073,620 -0.069,621 -0.004,622 -0.012,623 -0.106,624 -0.006,625 -0.048,626 -0.01,627 -0.063,628 -0.014,629 -0.145,630 -0.036,631 -0.035,632 0.02,633 -0.111,634 -0.06,635 -0.176,636 -0.09,637 0.003,638 -0.201,639 -0.055,640 -0.14,641 -0.071,642 -0.112,643 0.805,644 2.629,645 0.839,646 33.178,647 0.989,648 1.122,649 2.377,650 5.652,651 0.671,652 3.584,653 3.892,654 4.174,655 4.443,656 4.691,657 4.682,658 4.762,659 4.875,660 4.97,661 4.942,662 8.345,663 0.629,664 412.58,665 3.584,666 5.118,667 5.969,668 6.838,669 7.701,670 8.574,671 9.441,672 10.315,673 11.182,674 12.057,675 6.8,678 2,685 2,687 4,688 11,689 2,693 3,695 22,712 1,714 59,716 22,717 2,718 35,720 63,721 26,722 18,723 6,724 6,730 5,731 7,736 1,745 18,746 8,761 1,764 28,765 5,767 5,773 4,777 0.6,778 1,786 2,793 5,797 2,815 2,819 3,823 1,827 31,833 7,835 1,838 2,847 1.7,852 1,854 14.5,855 10.883,856 6.778,857 3.678,858 4.432,859 1.536,860 1.019,861 5.902,862 12.702,863 3.85,864 4.466,865 5.091,866 5.705,867 6.288,868 6.51,869 6.834,870 7.168,871 7.469,872 7.109,873 1,874 49,875 11.468,877 4.823,878 7.425,879 22.726,881 18.979,883 1.925,884 59.667,887 1,888 329.591,889 150.482,890 39.82,892 11,895 150.482,896 340.591,897 39.82,898 8.825,899 17.227,900 94.762,901 45.342,902 46.916,904 317.82,906 329.591,907 190.301,908 11,911 329.591,912 11,915 48.393,916 108.337,917 33.571,919 329.591,920 50.82,921 150.482,924 329.591,925 37.847,926 118.884,928 44.571,929 329.591,930 50.82,931 150.482,933 0.575,934 0.338,935 0.19,936 0.106,937 24,938 9,939 0.095,940 6,941 2,942 1.154,943 4.482,944 275.56,945 0.154,946 26,947 142.825,951 20.081,952 9.111,953 4.595,954 4.422,955 50.82,956 22.745,957 9.195,961 3.267,964 530.892,965 46,975 58.338,976 66.185,977 0.237,978 0.538,979 0.741,980 0.869,981 0.911,982 0.911,983 5.072,984 1.618,985 5.927,986 5.291,987 4.575,988 5.153,989 1.598,990 6.708,991 4.494,992 6.26,993 1.524,994 7.459,995 3.818,996 4.007,997 4.902,998 0.57,999 7.535,1000 3.887,1001 7.556,1002 1.273,1003 9.091,1004 3.768,1005 6.133,1006 7.402,1007 1.256,1008 10.641,1009 5.98,1010 8.889,1011 1.23,1012 10.786,1013 2.834,1014 6.415,1015 8.056,1016 0.581,1017 12.342,1018 6.233,1019 10.259,1020 1,1021 12.522,1022 2.715,1023 7.966,1024 9.995,1025 1.023,1026 14.944,1027 7.755,1028 11.657,1029 0.922,1030 14.287,1031 2.275,1032 8.668,1033 11.095,1034 0.515,1035 17.009,1036 8.437,1037 13.076,1038 0.849,1039 16.075,1040 2.15,1041 9.965,1042 12.788,1043 0.84,1044 19.437,1045 9.709,1046 3.054,1047 0.246,1048 17.879,1049 1.964,1050 10.877,1051 14.101,1052 0.441,1053 21.654,1054 10.606,1055 3.046,1056 10.248,1057 19.697,1058 0.6,1059 12.063,1060 15.683,1061 0.689,1062 24.02,1063 11.769,1064 2.646,1065 10.241,1066 21.524,1067 4.458,1068 13.078,1069 17.095,1070 0.373,1071 26.3,1072 12.768,1073 2.349,1074 7.499,1075 23.361,1076 4.431,1077 14.216,1078 18.627,1079 0.564,1080 28.641,1081 13.886,1082 2.259,1083 6.749,1084 25.204,1085 3.17,1086 15.28,1087 20.083,1088 0.314,1089 30.948,1090 14.933,1091 1.934,1092 6.653,1093 27.052,1094 2.948,1095 16.4,1096 21.592,1097 0.461,1098 33.28,1099 16.033,1100 1.875,1101 5.675,1102 28.906,1103 2.636,1104 17.488,1105 23.068,1106 0.264,1107 35.598,1108 17.103,1109 14830,1110 21935,1111 24.444,1112 39.614,1113 51.706,1114 51.995,1115 52.442,1116 51.668,1117 51.649,1118 68.073,1119 5.498,1120 144.958,1121 49.532,1122 5.516,1123 5.192,1124 6.206,1125 5.103,1126 5.054,1127 7.458,1128 1.776,1129 17.083,1130 4.992,1131 7.848,1132 1.477,1133 1.486,1134 1.498,1135 1.476,1136 1.476,1137 1.945,1138 0.157,1139 4.142,1140 1.415,1141 4.097,1142 4.127,1143 4.053,1144 4.022,1145 5.023,1146 4.026,1147 4.055,1148 4.08,1149 4.017,1150 3.985,1151 4.983,1152 3.99,1153 3.832,1154 3.905,1155 3.718,1156 3.634,1157 4.581,1158 3.645,1159 3.551,1160 3.599,1161 3.451,1162 3.429,1163 4.414,1164 3.425,1165 3.484,1166 3.54,1167 3.378,1168 3.378,1169 4.334,1170 3.371,1171 3.393,1172 3.455,1173 3.254,1174 3.215,1175 4.224,1176 3.216,1177 3.157,1178 3.223,1179 3.034,1180 3.003,1181 3.972,1182 3,1183 3.111,1184 3.206,1185 2.918,1186 2.942,1187 3.871,1188 2.924,1189 0.129,1190 0.091,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.192,1197 0.026,1198 6.517,1199 0.293,1200 4.028,1201 0.085,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.992,1207 2.046,1208 2.021,1209 2.13,1210 2.136,1211 1.352,1212 2.136,1213 2.032,1214 2.011,1215 2.107,1216 2.123,1217 1.235,1218 2.119,1219 1.781,1220 1.709,1221 1.984,1222 2.001,1223 1.215,1224 2.002,1225 1.537,1226 1.492,1227 1.747,1228 1.714,1229 0.974,1230 1.724,1231 1.485,1232 1.436,1233 1.694,1234 1.638,1235 0.825,1236 1.661,1237 1.381,1238 1.317,1239 1.63,1240 1.567,1241 0.805,1242 1.591,1243 1.153,1244 1.084,1245 1.513,1246 1.376,1247 0.759,1248 1.429,1249 1.147,1250 1.064,1251 1.425,1252 1.354,1253 0.56,1254 1.376,1255 4.263,1257 5.572,1259 7.089,1261 8.702,1263 10.363,1265 2.017,1271 6.873,1273 6.129,1276 5.019,1280 37.122,1281 82.259,1282 186.706,1283 257.128,1284 301.566,1285 316.321,1286 316.321,1287 37.227,1288 8.27,1289 41.49,1290 41.49,1291 30,1292 12.598,1293 4.524,1294 3.585,1295 44.097,1296 160,1297 133,1298 0.132,1299 225.104,1300 379.35,1301 541.013,1302 58022,1304 21.045,1305 0.679,1306 0.581,1307 21.045,1308 17.998,1309 15.259,1310 0.436,1311 0.315,1312 10.899,1313 14.784,1314 10.622,1315 8.76,1316 15.259,1317 11.027,1318 13.486,1319 0.281,1320 0.172,1321 13.486,1322 8.234,1323 11.572,1324 0.181,1325 0.095,1326 11.572,1327 6.071,1328 9.906,1329 0.118,1330 0.052,1331 9.906,1332 4.346,1333 8.393,1334 0.078,1335 0.029,1336 8.393,1337 3.15,1338 0.217,1339 94.55,1340 0.202,1341 29.911,1342 0.337,1343 166,1344 402.316,1345 177.481,1346 394.718,1347 558.47,1348 376,1349 195,1350 420.962,1351 207.924,1352 429.422,1353 629.93,1354 406,1355 9.1} {0 CHEMBL425919,1 1.473,2 15.075,3 3.989,4 15.91,5 156.761,6 7.01,7 0.4,8 4.435,9 4.561,10 3.963,11 3.968,12 5.448,13 3.94,14 5.025,15 5.216,16 4.364,17 4.396,18 5.979,19 4.35,20 5.293,21 5.508,22 4.457,23 4.574,24 6.267,25 4.503,26 5.37,27 5.587,28 4.456,29 4.618,30 6.384,31 4.531,32 5.402,33 5.621,34 4.397,35 4.638,36 6.353,37 4.53,38 5.419,39 5.668,40 4.326,41 4.609,42 6.283,43 4.477,44 5.377,45 5.633,46 4.222,47 4.517,48 6.244,49 4.379,50 5.275,51 5.537,52 4.198,53 4.417,54 6.219,55 4.301,56 0.035,57 1.144,58 17.034,59 7.138,60 10.554,61 9.819,62 0.367,63 1.928,64 33.317,65 11.854,66 29.421,67 16.999,68 0.477,69 2.404,70 44.685,71 15.259,72 47.351,73 21.999,74 0.522,75 2.476,76 48.751,77 17.49,78 78.153,79 24.55,80 0.532,81 2.518,82 50.408,83 18.46,84 70.494,85 25.821,86 0.509,87 2.508,88 51.886,89 19.267,90 59.784,91 27.616,92 0.585,93 2.351,94 50.505,95 18.194,96 66.939,97 26.047,98 0.499,99 2.14,100 45.764,101 15.844,102 72.844,103 22.926,104 38,105 66,106 0.225,107 0.547,108 0.755,109 0.826,110 0.841,111 0.841,112 3.717,113 0.95,114 -4.85,115 -4.76,116 -4.47,119 41.6,120 3,121 3,124 1,125 4,127 2,140 8,141 4,142 3,144 1,145 1,156 2,169 12,171 3,172 14,176 2,178 13,181 1,182 14,184 1,189 12,192 2,193 16,199 14,202 1,203 8,208 1,211 16,214 1,215 10,218 1,220 1,222 16,225 1,226 10,229 1,231 1,233 9,236 2,237 11,242 1,244 10,249 7,252 1,254 1,256 10,259 3232,260 27.057,261 27.057,262 27.057,263 27.057,264 27.057,265 24.772,266 39.999,267 15.416,268 27.619,269 22.118,270 22.118,271 22.118,272 22.118,273 22.118,274 18.352,275 61.904,276 7.198,277 22.928,278 4.794,279 2.693,280 1.333,281 0.865,282 0.766,283 0.766,284 4.428,289 1,290 1337,291 3.391,294 230.204,295 520.71,298 180.165,302 2.433,303 35.889,306 0.75,307 0.67,308 0.83,309 0.9,310 0.5,311 0.83,312 1,313 0.78,314 85.5,315 603,316 4.535,317 3.767,318 6.807,319 4.215,320 3.251,321 4.16,322 1.94,323 11.229,324 3.137,325 4.425,326 3.757,327 6.532,328 4.063,329 3.095,330 4.097,331 1.2,332 10.239,333 3.009,334 4.228,335 3.351,336 6.49,337 3.938,338 2.982,339 3.719,340 0.86,341 10.127,342 2.853,343 4.103,344 3.081,345 6.379,346 3.852,347 2.882,348 3.41,349 0.8,350 9.687,351 2.778,352 3.914,353 3.008,354 6.01,355 3.645,356 2.663,357 3.246,358 0.555,359 8.483,360 2.606,361 3.632,362 2.747,363 5.516,364 3.416,365 2.457,366 2.888,367 0.4,368 7.297,369 2.346,370 3.541,371 2.635,372 5.254,373 3.168,374 2.184,375 2.678,376 0.293,377 6.374,378 2.143,379 3.266,380 2.322,381 5.134,382 2.933,383 1.977,384 2.467,386 5.996,387 1.892,388 3.144,389 2.256,390 4.916,391 2.856,392 1.879,393 2.315,395 5.291,396 1.833,397 2.925,398 1.982,399 4.829,400 2.793,401 1.823,402 2.035,404 4.963,405 1.758,406 2.879,407 1.936,408 4.618,409 2.588,410 1.636,411 1.879,413 4.942,414 1.547,415 2.694,416 1.819,417 4.381,418 2.374,419 1.401,420 1.762,422 4.008,423 1.359,424 2.606,425 1.634,426 3.99,427 2.239,428 1.257,429 1.615,431 3.238,432 1.231,433 2.5,434 1.535,435 3.804,436 2.153,437 1.139,438 1.5,440 2.701,441 1.146,442 2.363,443 1.278,444 3.698,445 2,446 1,447 1.279,449 2.275,450 1,451 19,452 0.475,453 1.113,454 0.028,455 49.75,456 1.244,457 23,458 0.575,459 26.75,460 0.669,461 42.076,462 1.052,463 43.4,464 0.564,465 41.814,466 1.045,467 9.33,468 0.233,469 9.987,470 0.25,471 0.14,473 0.405,479 0.753,480 1.441,481 0.821,482 1.165,483 0.566,484 1.023,485 0.908,486 1.113,487 0.845,488 0.909,489 0.564,490 0.867,491 1.092,492 1.025,493 1.013,494 0.964,495 0.912,496 0.96,497 1.167,498 1.024,499 1.025,500 1.015,501 1.264,502 1.003,503 1.185,504 1.059,505 1.122,506 1.086,507 1.096,508 1.098,509 0.816,510 1.011,511 0.98,512 1.052,513 0.686,514 1.042,515 0.942,516 1.009,517 1.001,518 1.031,519 0.807,520 1.031,521 0.973,522 0.889,523 0.906,524 0.907,525 1.092,526 0.896,527 8.5,528 0.292,529 5.556,530 3.569,531 2.623,532 1.785,533 1.306,534 0.797,535 0.496,536 0.302,537 28931,538 64338,539 2.12,540 48.1,542 21,545 1,546 5,547 10,550 1.797,551 1.967,552 3.842,553 -0.417,559 113.428,560 1.473,561 3.574,562 4.934,563 5.401,564 5.5,565 5.5,566 3.269,567 4.972,568 5.293,569 4.087,570 3187.71,571 9.322,572 55896.1,577 482.543,578 1.458,579 5.247,580 0.189,581 0.007,582 0.084,583 0.051,584 0.038,585 0.028,586 0.022,587 0.015,588 0.01,589 0.007,590 0.451,591 0.17,592 0.75,593 0.677,594 227.32,595 -0.001,596 -0.224,597 0.076,598 -0.073,599 -0.022,600 -0.003,601 0.052,602 0.029,603 0.115,604 0.095,605 0.058,606 0.109,607 -0.073,608 0.077,609 -0.036,610 0.014,611 -0.018,612 0.004,613 -0.066,614 0.01,615 -0.041,616 -0.015,617 -0.034,618 -0.022,619 -0.115,620 -0.044,621 -0.144,622 -0.076,623 -0.111,624 -0.108,625 0.03,626 -0.038,627 -0.011,628 -0.044,629 0.01,630 -0.035,631 0.025,632 -0.061,633 -0.014,634 -0.036,635 0.038,636 -0.033,637 0.015,638 0.079,639 0.09,640 0.067,641 0.058,642 0.088,643 1.666,644 6.714,645 0.8,646 52.39,647 0.995,648 1.127,649 3.619,650 13.098,651 0.657,652 3.829,653 4.205,654 4.533,655 4.836,656 5.05,657 5.22,658 5.412,659 5.568,660 5.652,661 5.79,662 9.045,663 0.619,664 539.74,665 3.829,666 5.407,667 6.29,668 7.195,669 8.09,670 8.999,671 9.898,672 10.808,673 11.711,674 12.622,675 6.5,677 1,681 1,682 2,685 1,688 8,689 1,693 9,695 18,703 1,709 1,712 1,714 77,716 20,717 2,718 45,720 82,721 32,722 17,723 6,724 6,725 1,730 6,731 7,736 3,740 5,743 5,745 19,746 13,750 2,755 2,759 2,764 37,765 8,766 1,767 8,773 5,777 0.833,778 3,786 1,792 2,793 4,796 1,806 1,814 1,819 5,823 4,827 40,833 7,834 1,835 1,837 2,838 3,847 3.9,850 2,852 1,854 20.333,855 15.133,856 8.611,857 4.938,858 3.575,859 1.39,860 0.994,861 7.388,862 12.747,863 4.043,864 4.63,865 5.208,866 5.767,867 6.297,868 6.63,869 7.057,870 7.407,871 7.688,872 8.079,873 0.9,874 70,875 14.908,877 6.483,878 7.613,879 29.075,881 24.844,883 2.113,884 84.5,888 423.76,889 167.188,890 44.169,892 61.29,895 167.188,896 485.049,897 44.169,898 37.359,899 22.275,900 93.821,901 76.485,902 40.38,903 2.328,904 423.76,906 423.76,907 211.357,908 61.29,911 306.049,912 179.001,915 69.518,916 125.054,917 16.786,919 423.76,920 105.459,921 167.188,924 423.76,925 54.02,926 122.542,927 18.011,928 78.075,929 423.76,930 105.459,931 167.188,933 0.594,934 0.361,935 0.2,936 0.103,937 34,938 16,939 0.061,940 5,941 1,942 1.063,943 4.91,944 418.245,945 0.063,946 32,947 196.122,951 26.949,952 10.966,953 5.175,955 105.459,956 15.943,957 4.709,961 8.237,963 18.011,964 696.407,965 56,970 25.839,974 0.134,975 76.629,976 86.763,977 0.235,978 0.57,979 0.787,980 0.862,981 0.878,982 0.878,983 5.33,984 1.977,985 6.301,986 6.374,987 4.89,988 5.318,989 2.59,990 7.163,991 4.824,992 6.533,993 1.879,994 7.895,995 5.996,996 4.575,997 5.173,998 1.803,999 8.141,1000 4.474,1001 7.85,1002 1.823,1003 9.585,1004 5.291,1005 6.541,1006 7.459,1007 3.202,1008 11.263,1009 6.405,1010 9.198,1011 1.636,1012 11.331,1013 4.963,1014 7.031,1015 8.109,1016 3.183,1017 13.047,1018 6.857,1019 10.579,1020 1.401,1021 13.112,1022 4.942,1023 8.478,1024 9.904,1025 4.22,1026 15.685,1027 8.272,1028 11.981,1029 1.257,1030 14.918,1031 4.008,1032 9.324,1033 10.916,1034 4.559,1035 17.8,1036 9.08,1037 13.399,1038 1.139,1039 16.741,1040 3.238,1041 10.574,1042 12.511,1043 5.414,1044 20.267,1045 10.299,1046 3.251,1047 1,1048 18.577,1049 2.701,1050 11.58,1051 13.704,1052 5.92,1053 22.524,1054 11.267,1055 3.095,1056 11.229,1057 20.423,1058 2.275,1059 12.756,1060 15.204,1061 6.681,1062 24.93,1063 12.411,1064 2.982,1065 10.239,1066 22.277,1067 4.16,1068 13.835,1069 16.494,1070 7.266,1071 27.251,1072 13.452,1073 2.882,1074 10.127,1075 24.137,1076 4.097,1077 14.984,1078 17.949,1079 7.98,1080 29.637,1081 14.569,1082 2.663,1083 9.687,1084 26.003,1085 3.719,1086 16.096,1087 19.291,1088 8.604,1089 31.988,1090 15.645,1091 2.457,1092 8.483,1093 27.873,1094 3.41,1095 17.239,1096 20.723,1097 9.293,1098 34.369,1099 16.754,1100 2.184,1101 7.297,1102 29.746,1103 3.246,1104 18.368,1105 22.096,1106 9.936,1107 36.738,1108 17.848,1109 26628,1110 39923,1111 30.054,1112 50.574,1113 69.469,1114 71.434,1115 71.981,1116 68.745,1117 68.784,1118 84.496,1119 12.097,1120 207.202,1121 66.57,1122 5.535,1123 5.767,1124 6.329,1125 5.283,1126 5.251,1127 7.16,1128 3.348,1129 18.637,1130 5.137,1131 21.651,1132 1.544,1133 1.587,1134 1.6,1135 1.528,1136 1.529,1137 1.878,1138 0.269,1139 4.604,1140 1.479,1141 4.087,1142 4.12,1143 4.04,1144 3.995,1145 7.429,1146 4.001,1147 3.989,1148 4.023,1149 3.944,1150 3.904,1151 7.425,1152 3.909,1153 3.866,1154 3.914,1155 3.798,1156 3.729,1157 4.901,1158 3.74,1159 3.808,1160 3.865,1161 3.701,1162 3.643,1163 4.844,1164 3.647,1165 3.684,1166 3.724,1167 3.603,1168 3.564,1169 4.628,1170 3.566,1171 3.472,1172 3.52,1173 3.378,1174 3.288,1175 4.455,1176 3.3,1177 3.367,1178 3.452,1179 3.151,1180 3.217,1181 4.4,1182 3.19,1183 3.197,1184 3.279,1185 3.094,1186 3.03,1187 4.122,1188 3.029,1189 0.101,1190 0.084,1191 0.151,1192 0.094,1193 0.072,1194 4.535,1195 0.092,1196 3.767,1197 0.043,1198 6.807,1199 0.25,1200 4.215,1201 0.07,1202 3.251,1203 4.16,1204 1.94,1205 11.229,1206 3.137,1207 1.986,1208 1.965,1209 2.07,1210 2.079,1211 1.331,1212 2.076,1213 1.919,1214 1.891,1215 2.045,1216 2.06,1217 1.201,1218 2.06,1219 1.766,1220 1.729,1221 1.918,1222 1.921,1223 1.167,1224 1.916,1225 1.743,1226 1.689,1227 1.876,1228 1.884,1229 1.165,1230 1.885,1231 1.563,1232 1.503,1233 1.828,1234 1.744,1235 1.006,1236 1.775,1237 1.484,1238 1.421,1239 1.733,1240 1.697,1241 0.97,1242 1.703,1243 1.405,1244 1.325,1245 1.713,1246 1.606,1247 0.925,1248 1.655,1249 1.362,1250 1.31,1251 1.585,1252 1.599,1253 0.741,1254 1.592,1255 4.511,1257 5.872,1258 3.045,1259 7.424,1260 5.352,1261 9.062,1262 7.402,1263 10.746,1265 8.076,1271 5.418,1272 3.588,1273 5.791,1275 0.742,1276 6.024,1280 47.68,1281 113.428,1282 275.182,1283 379.913,1284 415.913,1285 423.523,1286 423.523,1287 73.338,1288 9.172,1289 78.01,1290 78.01,1291 34,1292 13.138,1293 4.392,1294 3.585,1295 57.571,1296 219,1297 203,1298 0.127,1299 287.124,1300 507.63,1301 692.342,1302 152959,1304 27.966,1305 0.699,1306 0.593,1307 27.966,1308 23.737,1309 19.317,1310 0.429,1311 0.317,1312 14.06,1313 18.614,1314 13.609,1315 11.263,1316 19.317,1317 14.243,1318 17.967,1319 0.272,1320 0.171,1321 17.967,1322 11.262,1323 15.777,1324 0.171,1325 0.09,1326 15.777,1327 8.283,1328 13.846,1329 0.111,1330 0.051,1331 13.846,1332 6.391,1333 10.551,1334 0.068,1335 0.026,1336 10.551,1337 4.046,1338 0.204,1339 120.638,1340 0.182,1341 36.169,1342 0.335,1343 222,1344 574.12,1345 241.38,1346 553.741,1347 774.07,1348 522,1349 269,1350 585.184,1351 289.908,1352 592.512,1353 877.56,1354 559,1355 6.4} {0 CHEMBL426285,1 1.464,2 14.789,3 4.578,4 20.961,5 150.92,6 7.329,7 0.512,8 4.334,9 4.462,10 3.908,11 3.892,12 5.396,13 3.868,14 4.904,15 5.097,16 4.287,17 4.312,18 5.865,19 4.271,20 5.162,21 5.381,22 4.397,23 4.49,24 6.12,25 4.425,26 5.255,27 5.468,28 4.41,29 4.541,30 6.299,31 4.461,32 5.31,33 5.553,34 4.342,35 4.545,36 6.257,37 4.441,38 5.255,39 5.488,40 4.319,41 4.498,42 6.194,43 4.398,44 5.233,45 5.485,46 4.254,47 4.435,48 6.207,49 4.336,50 5.137,51 5.368,52 4.187,53 4.406,54 6.087,55 4.3,56 0.051,57 1.079,58 14.151,59 6.02,60 11.787,61 8.24,62 0.276,63 1.803,64 27.905,65 9.873,66 20.606,67 14.156,68 0.32,69 2.217,70 37.591,71 13.25,72 32.912,73 19.028,74 0.497,75 2.374,76 41.534,77 14.698,78 63.646,79 20.752,80 0.484,81 2.407,82 45.625,83 16.368,84 65.412,85 23.247,86 0.339,87 2.305,88 42.39,89 15.448,90 52.538,91 22.003,92 0.538,93 2.232,94 42.728,95 14.287,96 65.705,97 20.792,98 0.315,99 2.034,100 37.513,101 14.083,102 43.39,103 19.876,104 26,105 62,106 0.227,107 0.56,108 0.73,109 0.844,110 0.844,111 0.844,112 3.668,113 0.934,114 -4.81,115 -4.72,116 -4.43,119 43.5,120 2,121 2,125 6,140 7,141 5,142 2,143 2,145 1,150 1,156 2,164 1,169 11,171 2,172 15,178 12,181 1,182 14,189 9,192 4,193 15,199 9,202 3,203 10,211 8,214 1,215 15,222 8,225 3,226 14,233 8,236 1,237 7,244 11,248 4,249 6,256 14,259 2828,260 26.488,261 26.488,262 26.488,263 26.488,264 26.488,265 23.836,266 34.835,267 15.167,268 26.99,269 21.005,270 21.005,271 21.005,272 21.005,273 21.005,274 16.663,275 39.831,276 6.888,277 21.786,278 4.644,279 2.49,280 1.394,281 0.66,282 0.66,283 0.66,284 4.385,289 1,290 1247,291 3.536,294 170.686,295 396.894,298 126.385,299 146.883,302 2.169,303 29.889,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 80.5,315 562,316 4.646,317 4.057,318 6.92,319 4.275,320 3.303,321 4.535,322 2.035,323 11.608,324 3.21,325 4.549,326 3.783,327 6.744,328 4.137,329 3.168,330 4.262,331 1.2,332 11.037,333 3.078,334 4.232,335 3.32,336 6.553,337 3.91,338 2.961,339 3.713,340 0.8,341 10.315,342 2.813,343 4.059,344 3.205,345 6.042,346 3.636,347 2.657,348 3.589,349 0.8,350 8.571,351 2.606,352 3.825,353 3.015,354 5.75,355 3.499,356 2.543,357 3.137,358 0.293,359 7.742,360 2.419,361 3.675,362 2.784,363 5.432,364 3.34,365 2.367,366 2.957,368 6.916,369 2.301,370 3.446,371 2.545,372 5.291,373 3.169,374 2.219,375 2.561,377 6.7,378 2.096,379 3.34,380 2.447,381 5.236,382 2.932,383 1.953,384 2.484,386 6.205,387 1.906,388 3.073,389 2.209,390 4.826,391 2.678,392 1.692,393 2.27,395 5.065,396 1.663,397 2.982,398 1.998,399 4.576,400 2.407,401 1.459,402 1.946,404 4.116,405 1.382,406 2.83,407 1.593,408 4.235,409 2.32,410 1.366,411 1.722,413 3.667,414 1.299,415 2.667,416 1.527,417 4.002,418 2.235,419 1.263,420 1.682,422 3.122,423 1.224,424 2.583,425 1.506,426 3.864,427 2.125,428 1.149,429 1.5,431 2.921,432 1.119,433 2.5,434 1.253,435 3.608,436 2,437 1,438 1.41,440 2.275,441 1,442 2.421,443 1.218,444 3.414,445 1.967,446 1,447 1.111,449 2.275,450 0.965,451 18.133,452 0.477,453 0.825,454 0.022,455 51,456 1.342,457 25.5,458 0.671,459 25.5,460 0.671,461 36.349,462 0.957,463 39.467,464 0.572,465 41.343,466 1.088,467 9.581,468 0.252,469 9.025,470 0.237,471 0.096,473 0.364,479 0.703,480 1.383,481 0.77,482 1.11,483 0.473,484 0.974,485 0.98,486 1.093,487 0.852,488 0.88,489 0.487,490 0.845,491 1.067,492 1.025,493 0.908,494 0.916,495 0.63,496 0.888,497 1.206,498 1.074,499 1.084,500 1.072,501 1.217,502 1.067,503 1.139,504 0.914,505 0.998,506 0.956,507 1.163,508 0.965,509 1.087,510 1.145,511 1.005,512 1.101,513 0.949,514 1.059,515 1.153,516 0.907,517 1.008,518 0.906,519 0.866,520 0.93,521 1.058,522 1.02,523 1.029,524 1.068,525 1.053,526 1.055,527 6.5,528 0.283,529 5.111,530 2.729,531 2.602,532 1.501,533 1.113,534 0.789,535 0.527,536 0.385,537 23339,538 54391,539 2.159,540 44.9,541 3,542 19,544 2,546 2,547 5,550 1.789,551 2.036,552 3.81,553 -0.784,559 101.05,560 1.464,561 3.619,562 4.715,563 5.449,564 5.449,565 5.449,566 3.322,567 4.912,568 5.214,569 3.936,570 2767.22,571 9.196,572 44804.2,577 421.488,578 1.36,579 5.187,580 0.151,581 0.007,582 0.082,583 0.04,584 0.039,585 0.024,586 0.019,587 0.014,588 0.01,589 0.008,590 0.395,591 0.17,592 0.75,593 0.769,594 209.912,595 0.081,596 -0.214,597 0.085,598 -0.087,599 0.055,600 -0.018,601 0.011,602 0.028,603 0.082,604 0.088,605 0.04,606 0.095,607 -0.063,608 0.031,609 0.053,610 0.06,611 0.068,612 0.073,613 -0.003,614 -0.034,615 -0.112,616 -0.098,617 -0.028,618 -0.114,619 -0.044,620 0.061,621 -0.006,622 0.034,623 -0.082,624 0.02,625 -0.037,626 -0.163,627 -0.026,628 -0.105,629 -0.025,630 -0.073,631 -0.006,632 0.088,633 -0.002,634 0.058,635 0.085,636 0.037,637 -0.061,638 -0.042,639 -0.059,640 -0.061,641 -0.026,642 -0.06,643 1.693,644 6.924,645 0.789,646 46.066,647 0.995,648 1.126,649 3.576,650 12.787,651 0.676,652 3.784,653 4.143,654 4.511,655 4.82,656 5.081,657 5.263,658 5.485,659 5.677,660 5.829,661 5.981,662 8.063,663 0.64,664 505.68,665 3.784,666 5.352,667 6.244,668 7.149,669 8.057,670 8.969,671 9.884,672 10.801,673 11.719,674 12.639,675 10.1,678 1,681 1,682 1,683 1,684 1,685 2,687 2,688 9,689 2,693 7,694 1,695 22,697 1,703 1,709 1,714 69,716 24,717 2,718 43,720 74,721 30,722 18,723 6,724 6,725 1,730 6,731 9,736 2,740 1,743 2,744 1,745 19,746 10,750 1,755 1,759 1,764 31,765 7,767 8,773 7,777 0.667,778 1,784 1,786 1,792 2,793 4,796 1,797 1,815 1,819 4,823 2,827 38,833 8,838 3,840 1,843 1,845 1,847 1.4,850 1,854 18.667,855 13.317,856 8.444,857 4.707,858 4.492,859 1.485,860 1.02,861 6.615,862 13.762,863 4.06,864 4.666,865 5.336,866 5.95,867 6.505,868 6.926,869 7.4,870 7.822,871 8.226,872 8.53,873 1,874 68,875 14.096,877 6.098,878 7.61,879 27.458,881 23.312,883 2.11,884 80.167,888 364.904,889 166.389,890 75.657,892 25.145,895 166.389,896 390.049,897 75.657,898 17.65,899 20.828,900 66.334,901 103.442,902 77.396,903 5.085,904 341.362,906 364.904,907 242.047,908 25.145,911 306.049,912 84,915 92.533,916 116.065,917 33.449,919 364.904,920 100.802,921 166.389,924 364.904,925 47.709,926 113.228,927 16.602,928 89.653,929 364.904,930 100.802,931 166.389,933 0.582,934 0.367,935 0.203,936 0.109,937 32,938 14,939 0.068,940 5,941 2,942 1.133,943 4.723,944 399.62,945 0.133,946 30,947 191.421,951 24.613,952 10.213,953 4.38,954 2.267,955 99.026,956 17.324,957 9.347,961 6.081,962 1.809,964 632.096,965 57,970 13.924,974 -0.026,975 68.643,976 77.68,977 0.24,978 0.592,979 0.772,980 0.892,981 0.892,982 0.892,983 5.33,984 1.953,985 6.24,986 6.7,987 4.828,988 5.354,989 2.645,990 7.112,991 4.76,992 6.546,993 1.692,994 7.836,995 6.205,996 4.443,997 5.19,998 0.766,999 8.131,1000 4.338,1001 7.869,1002 1.459,1003 9.532,1004 5.065,1005 6.482,1006 7.592,1007 3.682,1008 11.268,1009 6.345,1010 9.23,1011 1.366,1012 11.288,1013 4.116,1014 6.957,1015 8.309,1016 0.931,1017 13.115,1018 6.786,1019 10.626,1020 1.263,1021 13.082,1022 3.667,1023 8.435,1024 10.155,1025 4.998,1026 15.775,1027 8.235,1028 12.046,1029 1.149,1030 14.902,1031 3.122,1032 9.289,1033 11.271,1034 1.142,1035 17.953,1036 9.056,1037 13.485,1038 1,1039 16.741,1040 2.921,1041 10.56,1042 12.902,1043 6.389,1044 20.458,1045 10.298,1046 3.303,1047 1,1048 18.594,1049 2.275,1050 11.584,1051 14.208,1052 1.436,1053 22.773,1054 11.292,1055 3.168,1056 11.608,1057 20.459,1058 2.275,1059 12.78,1060 15.75,1061 7.801,1062 25.224,1063 12.458,1064 2.961,1065 11.037,1066 22.332,1067 4.535,1068 13.881,1069 17.149,1070 1.783,1071 27.598,1072 13.53,1073 2.657,1074 10.315,1075 24.212,1076 4.262,1077 15.051,1078 18.656,1079 9.219,1080 30.031,1081 14.672,1082 2.543,1083 8.571,1084 26.098,1085 3.713,1086 16.187,1087 20.101,1088 2.156,1089 32.433,1090 15.78,1091 2.367,1092 7.742,1093 27.989,1094 3.589,1095 17.353,1096 21.596,1097 10.638,1098 34.86,1099 16.917,1100 2.219,1101 6.916,1102 29.884,1103 3.137,1104 18.506,1105 23.064,1106 2.541,1107 37.276,1108 18.043,1109 21611,1110 33215,1111 29.244,1112 46.631,1113 66.546,1114 69.017,1115 68.215,1116 65.18,1117 65.117,1118 84.194,1119 10.255,1120 195.099,1121 62.959,1122 5.646,1123 6.057,1124 6.472,1125 5.342,1126 5.303,1127 7.535,1128 4.069,1129 19.342,1130 5.21,1131 17.156,1132 1.548,1133 1.605,1134 1.586,1135 1.516,1136 1.514,1137 1.958,1138 0.238,1139 4.537,1140 1.464,1141 4.147,1142 4.18,1143 4.111,1144 4.066,1145 7.428,1146 4.072,1147 4.029,1148 4.069,1149 3.996,1150 3.917,1151 6.82,1152 3.929,1153 3.842,1154 3.907,1155 3.773,1156 3.713,1157 4.978,1158 3.724,1159 3.789,1160 3.828,1161 3.704,1162 3.632,1163 4.931,1164 3.641,1165 3.651,1166 3.71,1167 3.567,1168 3.501,1169 4.58,1170 3.508,1171 3.39,1172 3.479,1173 3.221,1174 3.202,1175 4.486,1176 3.188,1177 3.341,1178 3.429,1179 3.168,1180 3.161,1181 4.342,1182 3.143,1183 3.208,1184 3.246,1185 3.138,1186 3.038,1187 3.999,1188 3.067,1189 0.108,1190 0.094,1191 0.161,1192 0.099,1193 0.077,1194 4.646,1195 0.105,1196 4.057,1197 0.047,1198 6.92,1199 0.27,1200 4.275,1201 0.075,1202 3.303,1203 4.535,1204 2.035,1205 11.608,1206 3.21,1207 2.05,1208 2.029,1209 2.116,1210 2.14,1211 1.344,1212 2.134,1213 1.922,1214 1.894,1215 2.015,1216 2.027,1217 1.252,1218 2.023,1219 1.765,1220 1.694,1221 1.977,1222 1.975,1223 1.158,1224 1.981,1225 1.693,1226 1.659,1227 1.874,1228 1.841,1229 1.055,1230 1.846,1231 1.511,1232 1.448,1233 1.762,1234 1.718,1235 1.023,1236 1.734,1237 1.456,1238 1.398,1239 1.731,1240 1.664,1241 0.929,1242 1.687,1243 1.385,1244 1.304,1245 1.576,1246 1.584,1247 0.825,1248 1.595,1249 1.275,1250 1.218,1251 1.513,1252 1.502,1253 0.681,1254 1.472,1255 4.466,1257 5.814,1258 3.045,1259 7.37,1260 5.416,1261 9.016,1262 7.535,1263 10.71,1265 4.244,1271 7.186,1276 6.738,1278 9.125,1279 2.146,1280 44.186,1281 101.05,1282 249.69,1283 325.307,1284 375.978,1285 375.978,1286 375.978,1287 61.292,1288 9.269,1289 81.29,1290 81.29,1291 34,1292 13.148,1293 4.644,1294 3.907,1295 53.082,1296 182,1297 218,1298 0.141,1299 267.68,1300 461.27,1301 644.9,1302 164917,1304 26.225,1305 0.69,1306 0.576,1307 26.225,1308 21.892,1309 18.605,1310 0.433,1311 0.311,1312 13.231,1313 17.969,1314 12.912,1315 10.647,1316 18.605,1317 13.391,1318 16.37,1319 0.264,1320 0.16,1321 16.37,1322 9.894,1323 15.348,1324 0.171,1325 0.088,1326 15.348,1327 7.877,1328 13.18,1329 0.107,1330 0.047,1331 13.18,1332 5.722,1333 10.718,1334 0.067,1335 0.025,1336 10.718,1337 3.939,1338 0.222,1339 115.733,1340 0.185,1341 34.268,1342 0.386,1343 210,1344 539.251,1345 226.397,1346 532.786,1347 751.53,1348 502,1349 257,1350 577.479,1351 276.311,1352 584.865,1353 866.98,1354 554,1355 8.6} {0 CHEMBL428991,1 1.432,2 15.212,3 4.373,4 19.121,5 133.998,6 6.84,7 0.432,8 4.263,9 4.394,10 3.771,11 3.799,12 5.25,13 3.763,14 4.838,15 5.029,16 4.111,17 4.216,18 5.762,19 4.154,20 5.09,21 5.319,22 4.118,23 4.357,24 5.972,25 4.246,26 5.137,27 5.385,28 4.02,29 4.336,30 5.997,31 4.198,32 5.127,33 5.4,34 3.96,35 4.265,36 5.96,37 4.124,38 4.985,39 5.229,40 3.987,41 4.224,42 5.858,43 4.104,44 4.98,45 5.213,46 3.927,47 4.23,48 5.813,49 4.096,50 5.031,51 5.309,52 3.768,53 4.134,54 5.823,55 3.974,56 0.081,57 0.959,58 14.877,59 6.119,60 9.111,61 8.475,62 0.285,63 1.585,64 28.037,65 10.022,66 24.67,67 14.434,68 0.347,69 1.913,70 36.769,71 13.39,72 37.187,73 19.414,74 0.296,75 1.923,76 38.898,77 14.454,78 41.766,79 20.906,80 0.369,81 1.84,82 39.281,83 14.136,84 48.745,85 20.586,86 0.401,87 1.683,88 33.382,89 12.323,90 43.294,91 17.976,92 0.271,93 1.727,94 32.723,95 12.078,96 28.847,97 17.767,98 0.342,99 1.681,100 35.741,101 12.414,102 40.879,103 18.4,104 6,105 51,106 0.227,107 0.574,108 0.767,109 0.844,110 0.851,111 0.851,112 3.531,113 0.966,114 -4.6,115 -4.52,116 -4.25,119 41.5,121 4,124 1,125 5,134 1,135 1,140 7,141 4,142 1,149 1,150 1,156 1,166 1,169 14,172 8,174 1,176 4,178 15,181 1,182 7,186 7,189 13,193 7,197 4,199 10,203 7,206 1,208 2,211 8,214 1,215 5,218 1,220 4,222 9,225 1,226 4,231 4,233 9,237 5,240 1,242 1,244 10,249 4,253 1,254 1,256 12,259 2071,260 22.903,261 22.903,262 22.903,263 22.903,264 22.903,265 20.736,266 25.111,267 13.49,268 23.333,269 18.207,270 18.207,271 18.207,272 18.207,273 18.207,274 14.8,275 26.705,276 6.348,277 18.776,278 4.59,279 2.406,280 1.187,281 0.7,282 0.658,283 0.658,284 4.242,289 1,290 1113,291 3.391,294 185.124,295 329.599,298 151.506,302 2.461,303 20.81,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70,315 502,316 4.568,317 3.567,318 6.566,319 4.109,320 3.12,321 4.515,322 0.98,323 10.433,324 3.087,325 4.2,326 3.201,327 6.106,328 3.863,329 2.869,330 3.769,331 0.86,332 8.925,333 2.85,334 4.109,335 2.992,336 6.053,337 3.749,338 2.756,339 3.554,340 0.8,341 8.703,342 2.737,343 3.74,344 2.835,345 5.369,346 3.468,347 2.537,348 3.075,349 0.657,350 7.031,351 2.362,352 3.562,353 2.821,354 5.353,355 3.398,356 2.447,357 2.756,359 6.979,360 2.319,361 3.428,362 2.55,363 5.234,364 3.199,365 2.242,366 2.527,368 6.553,369 2.135,370 3.322,371 2.147,372 5.104,373 2.959,374 1.975,375 2.495,377 5.939,378 1.94,379 3.002,380 1.986,381 4.432,382 2.525,383 1.543,384 2.126,386 4.357,387 1.511,388 2.751,389 1.646,390 4.124,391 2.332,392 1.345,393 1.8,395 3.468,396 1.324,397 2.671,398 1.401,399 4.024,400 2.268,401 1.278,402 1.666,404 3.245,405 1.253,406 2.5,407 1.396,408 3.52,409 2.145,410 1.161,411 1.5,413 2.74,414 1.139,415 2.345,416 1.235,417 3.414,418 2,419 1,420 1.329,422 2.275,423 1,424 2.137,425 1.067,426 3.414,427 1.984,428 1,429 1.048,431 2.275,432 0.983,433 2.058,434 1,435 3.262,436 1.731,437 0.77,438 0.998,440 1.806,441 0.738,442 1.646,443 0.857,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.767,452 0.478,453 0.653,454 0.02,455 38.75,456 1.174,457 17.5,458 0.53,459 21.25,460 0.644,461 30.835,462 0.934,463 35.833,464 0.551,465 28.845,466 0.874,467 7.584,468 0.23,469 8.607,470 0.261,471 0.053,473 0.304,479 0.798,480 1.283,481 0.86,482 1.109,483 0.582,484 1.006,485 1.124,486 1.087,487 0.989,488 0.949,489 0.623,490 0.943,491 0.965,492 1.075,493 1.056,494 1.057,495 0.769,496 1.059,497 0.92,498 1.118,499 1.046,500 1.119,501 1.073,502 1.101,503 0.933,504 0.932,505 0.905,506 0.92,507 1.422,508 0.914,509 0.699,510 1.045,511 0.917,512 0.986,513 0.912,514 0.978,515 0.753,516 1.246,517 1.133,518 1.22,519 0.651,520 1.214,521 0.926,522 0.994,523 1.029,524 1.017,525 1.02,526 1.027,527 6,528 0.123,529 3.778,530 1.451,531 1.423,532 1.125,533 0.542,534 0.327,535 0.37,536 0.148,537 18593,538 39934,539 2.168,540 49.2,542 21,543 1,545 2,547 8,550 1.747,551 2.084,552 3.86,553 0.132,559 93.072,560 1.432,561 3.616,562 4.835,563 5.322,564 5.365,565 5.365,566 3.404,567 4.56,568 5.011,569 4.048,570 2137.41,571 8.749,572 33744.7,577 391.454,578 1.182,579 4.999,580 0.162,581 0.004,582 0.074,583 0.03,584 0.033,585 0.027,586 0.013,587 0.008,588 0.012,589 0.005,590 0.368,591 0.17,592 0.88,593 0.551,594 179.236,595 0.048,596 -0.064,597 0.073,598 -0.023,599 0.02,600 0.018,601 -0.068,602 0.055,603 -0.013,604 0.06,605 0.054,606 0.036,607 -0.046,608 -0.022,609 -0.085,610 -0.057,611 0.061,612 -0.071,613 -0.051,614 -0.128,615 -0.078,616 -0.117,617 -0.034,618 -0.103,619 -0.004,620 0.014,621 0.08,622 0.06,623 -0.066,624 0.075,625 0.154,626 -0.038,627 0.051,628 0.017,629 0.075,630 0.021,631 -0.012,632 -0.191,633 -0.18,634 -0.218,635 -0.04,636 -0.219,637 -0.032,638 -0.026,639 -0.044,640 -0.057,641 -0.031,642 -0.051,643 1.758,644 5.554,645 0.788,646 43.297,647 0.991,648 1.127,649 3.367,650 11.334,651 0.655,652 3.638,653 3.951,654 4.234,655 4.466,656 4.654,657 4.771,658 4.92,659 5.056,660 5.17,661 5.283,662 8.643,663 0.614,664 444.63,665 3.638,666 5.176,667 6.028,668 6.895,669 7.759,670 8.63,671 9.5,672 10.375,673 11.249,674 12.126,675 6.2,678 2,682 1,683 1,687 2,688 8,690 1,693 4,695 16,712 1,714 65,716 18,717 2,718 37,720 69,721 27,722 14,723 5,724 7,725 3,730 5,731 6,740 3,743 4,745 17,746 10,750 2,755 1,757 1,759 2,764 32,765 5,766 2,767 6,773 4,776 1,777 0.8,778 2,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,823 1,827 33,833 9,834 1,835 1,838 2,847 3.1,850 1,852 1,854 15.833,855 11.733,856 7.278,857 4.092,858 3.355,859 1.402,860 1.013,861 6.813,862 11.704,863 3.871,864 4.44,865 5.023,866 5.572,867 6.069,868 6.404,869 6.793,870 7.114,871 7.271,872 7.55,873 1,874 49,875 12.248,877 5.193,878 7.51,879 24.208,881 20.399,883 2.01,884 66.333,888 353.133,889 143.815,890 40.8,892 36.145,895 143.815,896 389.278,897 40.8,898 10.883,899 38.555,900 84.857,901 29.85,902 54.47,903 13.915,904 341.362,906 353.133,907 184.614,908 36.145,911 258.964,912 130.314,915 61.467,916 113.672,917 9.476,919 353.133,920 76.945,921 143.815,924 353.133,925 48.074,926 101.867,927 34.674,928 36.145,929 353.133,930 76.945,931 143.815,933 0.578,934 0.342,935 0.178,936 0.089,937 25,938 10,939 0.101,940 7,941 1,942 1.077,943 4.641,944 299.746,945 0.077,946 26,947 158.465,951 22.207,952 10.124,953 5.162,954 2.544,955 60.159,956 16.098,958 3.444,961 4.065,963 34.674,964 573.892,965 47,970 12.554,972 2.232,974 1.254,975 64.432,976 73.225,977 0.238,978 0.6,979 0.803,980 0.884,981 0.891,982 0.891,983 5.112,984 1.543,985 5.994,986 5.939,987 4.635,988 5.127,989 1.828,990 6.774,991 4.582,992 6.292,993 1.345,994 7.532,995 4.357,996 4.111,997 4.879,998 0.325,999 7.6,1000 4.042,1001 7.587,1002 1.278,1003 9.166,1004 3.468,1005 6.205,1006 7.297,1007 1.563,1008 10.667,1009 6.111,1010 8.919,1011 1.161,1012 10.858,1013 3.245,1014 6.538,1015 7.948,1016 0.268,1017 12.335,1018 6.436,1019 10.285,1020 1,1021 12.587,1022 2.74,1023 8.04,1024 9.812,1025 1.389,1026 14.894,1027 7.92,1028 11.676,1029 1,1030 14.342,1031 2.275,1032 8.764,1033 10.887,1034 0.188,1035 16.916,1036 8.642,1037 13.085,1038 0.77,1039 16.115,1040 2.275,1041 10.026,1042 12.53,1043 1.263,1044 19.306,1045 9.891,1046 3.12,1047 0.618,1048 17.903,1049 1.806,1050 10.94,1051 13.817,1052 0.125,1053 21.488,1054 10.804,1055 2.869,1056 10.433,1057 19.702,1058 1.372,1059 12.101,1060 15.368,1061 1.167,1062 23.824,1063 11.956,1064 2.756,1065 8.925,1066 21.51,1067 4.515,1068 13.109,1069 16.762,1070 0.082,1071 26.08,1072 12.963,1073 2.537,1074 8.703,1075 23.326,1076 3.769,1077 14.231,1078 18.276,1079 1.09,1080 28.402,1081 14.078,1082 2.447,1083 7.031,1084 25.148,1085 3.554,1086 15.288,1087 19.723,1088 0.054,1089 30.695,1090 15.131,1091 2.242,1092 6.979,1093 26.976,1094 3.075,1095 16.397,1096 21.225,1097 1.028,1098 33.016,1099 16.233,1100 1.975,1101 6.553,1102 28.809,1103 2.756,1104 17.48,1105 22.699,1106 0.035,1107 35.328,1108 17.311,1109 17159,1110 25330,1111 25.542,1112 42.591,1113 55.177,1114 56.48,1115 55.816,1116 54.933,1117 54.998,1118 69.451,1119 6.594,1120 155.399,1121 53.48,1122 5.519,1123 5.567,1124 6.196,1125 5.149,1126 5.12,1127 7.515,1128 1.96,1129 17.105,1130 5.087,1131 11.371,1132 1.491,1133 1.526,1134 1.509,1135 1.485,1136 1.486,1137 1.877,1138 0.178,1139 4.2,1140 1.445,1141 4.149,1142 4.183,1143 4.105,1144 4.073,1145 7.429,1146 4.077,1147 3.939,1148 3.968,1149 3.887,1150 3.851,1151 4.968,1152 3.855,1153 3.849,1154 3.918,1155 3.74,1156 3.709,1157 4.853,1158 3.709,1159 3.809,1160 3.861,1161 3.701,1162 3.665,1163 4.512,1164 3.664,1165 3.473,1166 3.528,1167 3.39,1168 3.336,1169 4.351,1170 3.33,1171 3.365,1172 3.411,1173 3.257,1174 3.131,1175 4.335,1176 3.166,1177 3.243,1178 3.319,1179 3.088,1180 3.035,1181 4.2,1182 3.039,1183 3.132,1184 3.208,1185 2.946,1186 2.874,1187 3.888,1188 2.867,1189 0.123,1190 0.096,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.567,1197 0.026,1198 6.566,1199 0.282,1200 4.109,1201 0.083,1202 3.12,1203 4.515,1204 0.98,1205 10.433,1206 3.087,1207 1.994,1208 1.971,1209 2.089,1210 2.08,1211 1.331,1212 2.084,1213 1.896,1214 1.877,1215 1.995,1216 2.001,1217 1.23,1218 1.998,1219 1.745,1220 1.696,1221 1.92,1222 1.904,1223 1.211,1224 1.912,1225 1.665,1226 1.602,1227 1.86,1228 1.87,1229 1.08,1230 1.869,1231 1.577,1232 1.507,1233 1.852,1234 1.751,1235 1.061,1236 1.793,1237 1.427,1238 1.352,1239 1.639,1240 1.66,1241 0.872,1242 1.658,1243 1.269,1244 1.231,1245 1.575,1246 1.565,1247 0.692,1248 1.557,1249 1.152,1250 1.075,1251 1.435,1252 1.424,1253 0.577,1254 1.426,1255 4.317,1257 5.631,1258 3.045,1259 7.132,1260 5.283,1261 8.713,1262 7.273,1263 10.337,1265 1.621,1271 9.786,1272 3.022,1273 5.164,1276 4.549,1280 39.89,1281 93.072,1282 235.034,1283 314.293,1284 345.944,1285 348.699,1286 348.699,1287 47.644,1288 8.349,1289 60.6,1290 60.6,1291 28,1292 12.665,1293 4.248,1294 3.459,1295 48.178,1296 171,1297 185,1298 0.134,1299 241.62,1300 418.98,1301 581.312,1302 58891,1304 22.623,1305 0.686,1306 0.584,1307 22.623,1308 19.271,1309 16.191,1310 0.438,1311 0.322,1312 11.762,1313 15.63,1314 11.495,1315 9.491,1316 16.191,1317 11.912,1318 14.245,1319 0.279,1320 0.176,1321 14.245,1322 8.968,1323 12.56,1324 0.185,1325 0.101,1326 12.56,1327 6.855,1328 10.195,1329 0.119,1330 0.056,1331 10.195,1332 4.853,1333 7.759,1334 0.075,1335 0.03,1336 7.759,1337 3.121,1338 0.219,1339 100.926,1340 0.198,1341 31.471,1342 0.348,1343 176,1344 435.427,1345 189.03,1346 422.907,1347 589.13,1348 400,1349 207,1350 438.718,1351 220.976,1352 447.038,1353 652.11,1354 421,1355 8.108} {0 CHEMBL429136,1 1.932,2 7.611,3 3.847,4 14.796,5 68.591,6 10.143,7 0.316,8 3.498,9 3.614,10 3.297,11 3.033,12 4.681,13 3.035,14 4.053,15 4.221,16 3.745,17 3.422,18 5.523,19 3.402,20 4.269,21 4.47,22 3.964,23 3.576,24 5.555,25 3.518,26 4.2,27 4.383,28 3.782,29 3.493,30 5.426,31 3.425,32 4.203,33 4.421,34 3.582,35 3.359,36 5.537,37 3.248,38 4.02,39 4.275,40 3.137,41 3.081,42 5.128,43 2.951,44 3.765,45 4.02,46 3.072,47 2.739,48 5.136,49 2.691,50 3.553,51 3.793,52 2.804,53 2.389,54 5.101,55 2.373,56 0.168,57 0.557,58 2.956,59 2.43,60 19.529,61 2.647,62 0.567,63 0.93,64 8.995,65 4.502,66 78.627,67 4.9,68 0.709,69 0.848,70 19.717,71 5.465,72 69.73,73 6.118,74 0.552,75 0.759,76 15.494,77 5.122,78 53.986,79 5.807,80 0.702,81 0.699,82 21.296,83 5.084,84 56.254,85 6.343,86 0.553,87 0.632,88 19.998,89 5.325,90 66.968,91 6.467,92 0.451,93 0.619,94 13.545,95 4.116,96 50.178,97 4.7,98 0.583,99 0.485,100 14.492,101 3.422,102 80.076,103 2.722,104 29,105 27,106 0.38,107 0.74,108 0.868,109 0.896,110 0.896,111 0.896,112 2.961,113 0.962,114 -4.71,115 -4.62,116 -4.34,119 37.9,120 1,125 1,127 1,128 1,140 2,141 1,142 3,157 1,169 1,172 2,174 2,175 1,176 2,178 4,186 1,189 5,193 2,197 5,199 3,203 2,208 2,211 2,220 1,231 1,259 308,260 11.569,261 11.569,262 11.569,263 11.569,264 11.569,265 10.504,266 15.695,267 6.699,268 12.151,269 9.335,270 9.335,271 9.335,272 9.335,273 9.335,274 7.699,275 20.678,276 3.178,277 10.448,278 2.926,279 1.091,280 0.44,281 0.302,282 0.302,283 0.302,284 3.609,285 2,288 1,289 1,290 279,291 2.828,295 85.119,299 73.02,302 1.389,303 27.409,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41.167,315 137,316 4.53,317 3.593,318 6.822,319 4.15,320 3.206,321 4.194,322 1.51,323 11.168,324 3.021,325 3.881,326 3.241,327 5.704,328 3.427,329 2.549,330 3.204,331 1.284,332 7.592,333 2.206,334 3.446,335 3.091,336 5.248,337 3.11,338 2.24,339 2.704,340 0.553,341 6.351,342 1.958,343 3.247,344 2.602,345 5.08,346 2.963,347 2.026,348 2.422,349 0.247,350 5.845,351 1.831,352 3.147,353 2.252,354 4.615,355 2.847,356 1.964,357 2.163,359 5.035,360 1.67,361 2.582,362 2.027,363 4.183,364 2.239,365 1.34,366 1.595,368 3.462,369 1.156,370 1.674,371 1.158,372 3.132,373 1.455,374 0.588,375 0.617,377 1.338,378 0.501,379 1.507,380 0.876,381 2.877,382 1.016,383 0.244,384 0.289,386 0.549,387 0.153,388 1.025,389 0.51,390 2.6,391 0.663,392 -0.187,393 -0.209,395 -0.486,396 -0.145,397 0.832,398 0.28,399 2.56,400 0.455,401 -0.457,402 -0.536,404 -1.242,405 -0.396,406 0.289,407 -0.018,408 2,409 0.072,410 -0.825,411 -0.894,413 -2,414 -0.661,416 -0.378,417 1.643,418 -0.3,419 -1,420 -1,422 -2.195,423 -0.7,424 -0.031,425 -0.739,426 1.508,427 -0.404,428 -1.239,429 -1.381,431 -3.228,432 -0.923,433 -0.167,434 -1.008,435 1.339,436 -0.492,437 -1.361,438 -1.544,440 -3.619,441 -1.092,442 -0.268,443 -1.172,444 1.24,445 -0.725,446 -1.458,447 -1.816,449 -4.272,450 -1.34,451 8.7,452 0.483,453 0.6,454 0.033,455 20,456 1.111,457 8,458 0.444,459 12,460 0.667,461 15.165,462 0.842,463 20.7,464 0.714,465 13.349,466 0.742,467 4.059,468 0.225,469 4.427,470 0.246,471 0.287,473 0.402,475 2,479 0.636,480 1.103,481 0.507,482 0.849,483 0.589,484 0.824,485 0.68,486 0.841,487 0.597,488 0.735,489 0.645,490 0.816,491 0.842,492 0.714,493 0.764,494 0.63,495 0.781,496 0.775,497 0.824,498 0.952,499 1.064,500 1.09,501 0.661,502 1.152,503 0.661,504 0.556,505 1.268,506 1.127,507 0.542,508 1.245,509 0.88,510 0.964,511 1.001,512 1.126,513 0.934,514 1.129,515 1.142,516 1.402,517 0.676,518 1.045,519 1.288,520 0.918,521 2.684,522 1.756,523 1.593,524 0.987,525 3.012,526 0.919,527 4.5,529 2.222,530 1.625,531 1.489,532 0.438,533 0.385,534 0.193,535 0.119,536 0.071,537 2417,538 11905,539 1.931,540 37.9,542 5,543 1,545 2,547 3,550 1.588,551 1.742,552 2.908,553 0.538,555 1,557 1,559 56.019,560 1.932,561 3.767,562 4.418,563 4.556,564 4.556,565 4.556,566 2.558,567 3.128,568 4.136,569 3.054,570 467.25,571 7.029,572 4308.74,574 1,575 1,576 1,577 140.881,578 1.572,579 4.056,580 0.237,582 0.082,583 0.058,584 0.062,585 0.024,586 0.032,587 0.018,588 0.017,589 0.014,590 0.544,591 0.83,592 1,593 1.44,594 75.565,595 -0.082,596 -0.122,597 -0.009,598 -0.004,599 -0.083,600 0.02,601 0.115,602 0.187,603 0.049,604 0.141,605 0.151,606 0.064,607 -0.055,608 0.157,609 0.107,610 0.277,611 -0.066,612 0.152,613 -0.125,614 -0.158,615 -0.14,616 -0.178,617 -0.075,618 -0.225,619 0.096,620 0.169,621 -0.219,622 -0.202,623 0.079,624 -0.281,625 -0.016,626 -0.171,627 -0.017,628 -0.132,629 -0.069,630 -0.031,631 0.001,632 -0.358,633 0.215,634 -0.042,635 -0.001,636 0.164,637 -0.668,638 -0.131,639 -0.312,640 0.173,641 -0.622,642 0.083,643 3.764,644 4.116,645 0.556,646 12.444,647 1.044,648 1.157,649 3.476,650 12.084,651 0.696,652 2.996,653 3.332,654 3.555,655 3.807,656 4.025,657 4.043,658 4.094,659 4.06,660 4.06,661 3.611,662 4.6,663 0.677,664 294.15,665 2.996,666 4.533,667 5.371,668 6.256,669 7.12,670 8.012,671 8.889,672 9.784,673 10.667,674 11.563,675 10.3,677 1,680 1,684 1,688 2,693 4,695 6,707 1,713 2,714 29,716 7,717 1,718 19,720 30,721 11,722 6,723 4,724 2,729 1,730 2,731 3,732 2,734 1,736 2,740 1,743 1,745 7,746 4,750 1,758 1,759 1,761 1,762 2,764 11,765 5,766 2,767 7,768 2,773 3,777 0.5,793 2,797 1,814 1,819 1,823 1,824 2,825 2,827 18,833 1,834 2,837 2,846 4,854 10.333,855 5.355,856 3.944,857 1.644,858 1.602,859 1.258,860 0.96,861 4.175,862 7.82,863 3.178,864 3.75,865 4.245,866 4.761,867 5.272,868 5.451,869 5.663,870 5.87,871 6.052,872 5.757,873 1,874 28,875 6.686,877 2.894,878 8.318,879 12.079,881 9.695,883 2.818,884 50.722,888 105.94,889 52.841,890 52.807,891 78.297,893 29.92,895 52.841,896 184.237,897 82.727,898 8.825,899 2.106,900 45.078,901 18.011,902 59.649,903 13.67,904 94.169,905 78.297,906 105.94,907 105.648,908 29.92,909 78.297,911 70.627,912 65.234,914 8.115,915 45.727,916 33.795,917 96.308,919 135.86,920 52.807,921 131.138,924 114.055,925 16.948,926 27.778,927 36.022,928 125.003,929 105.94,930 82.727,931 131.138,933 0.59,934 0.331,935 0.172,936 0.099,937 13,938 7,939 0.067,940 2,941 1,942 1.2,943 2.91,944 126.025,945 0.2,946 10,947 73.059,951 13.686,952 5.491,953 3.002,955 82.727,956 3.4,961 2.379,963 36.022,964 319.805,965 23,973 4.215,974 0.314,975 30.28,976 33.554,977 0.398,978 0.775,979 0.909,980 0.938,981 0.938,982 0.938,983 4.437,984 0.244,985 5.389,986 1.338,987 4.007,988 4.431,989 2.222,990 6.217,991 3.8,992 5.65,993 -0.187,994 6.969,995 0.549,996 3.761,997 4.369,998 0.623,999 7.182,1000 3.398,1001 6.965,1002 -0.457,1003 8.648,1004 -0.486,1005 5.617,1006 6.577,1007 2.744,1008 10.288,1009 5.267,1010 8.314,1011 -0.825,1012 10.384,1013 -1.242,1014 6.111,1015 7.278,1016 1.178,1017 12.077,1018 5.634,1019 9.693,1020 -1,1021 12.157,1022 -2,1023 7.519,1024 9.045,1025 3.418,1026 14.749,1027 7.053,1028 11.095,1029 -1.239,1030 13.959,1031 -2.195,1032 8.366,1033 10.115,1034 1.7,1035 16.903,1036 7.812,1037 12.516,1038 -1.361,1039 15.782,1040 -3.228,1041 9.609,1042 11.701,1043 4.155,1044 19.416,1045 9.043,1046 3.206,1047 -1.458,1048 17.623,1049 -3.619,1050 10.626,1051 12.954,1052 2.213,1053 21.725,1054 9.994,1055 2.549,1056 11.168,1057 19.479,1058 -4.272,1059 11.808,1060 14.458,1061 4.926,1062 24.176,1063 11.147,1064 2.24,1065 7.592,1066 21.347,1067 4.194,1068 12.904,1069 15.802,1070 2.722,1071 26.548,1072 12.186,1073 2.026,1074 6.351,1075 23.224,1076 3.204,1077 14.069,1078 17.268,1079 5.716,1080 28.975,1081 13.309,1082 1.964,1083 5.845,1084 25.11,1085 2.704,1086 15.201,1087 18.657,1088 3.229,1089 31.372,1090 14.386,1091 1.34,1092 5.035,1093 27.002,1094 2.422,1095 16.36,1096 20.106,1097 6.517,1098 33.79,1099 15.498,1100 0.588,1101 3.462,1102 28.9,1103 2.163,1104 17.509,1105 21.516,1106 3.735,1107 36.197,1108 16.59,1109 2553,1110 5721,1111 11.849,1112 20.176,1113 28.66,1114 29.495,1115 29.846,1116 28.436,1117 28.314,1118 34.375,1119 7.189,1120 82.681,1121 24.989,1122 5.431,1123 5.593,1124 6.15,1125 5.222,1126 5.206,1127 7.194,1128 3.02,1129 18.335,1130 5.021,1131 11.176,1132 1.508,1133 1.552,1134 1.571,1135 1.497,1136 1.49,1137 1.809,1138 0.378,1139 4.352,1140 1.315,1141 4.001,1142 4.033,1143 4.147,1144 3.927,1145 8.362,1146 3.926,1147 3.635,1148 3.7,1149 3.674,1150 3.412,1151 7.999,1152 3.433,1153 3.441,1154 3.503,1155 3.459,1156 3.252,1157 5.053,1158 3.256,1159 3.177,1160 3.262,1161 3.379,1162 2.957,1163 4.719,1164 2.963,1165 2.865,1166 2.91,1167 3.121,1168 2.719,1169 4.481,1170 2.705,1171 2.756,1172 2.831,1173 2.965,1174 2.587,1175 4.167,1176 2.585,1177 2.463,1178 2.544,1179 2.485,1180 2.094,1181 3.974,1182 2.129,1183 2.282,1184 2.418,1185 2.249,1186 1.935,1187 3.647,1188 1.925,1189 0.238,1190 0.189,1191 0.359,1192 0.218,1193 0.169,1194 4.53,1195 0.221,1196 3.593,1197 0.079,1198 6.822,1199 0.588,1200 4.15,1201 0.159,1202 3.206,1203 4.194,1204 1.51,1205 11.168,1206 3.021,1207 1.945,1208 1.923,1209 2.007,1210 2.057,1211 1.219,1212 2.05,1213 1.537,1214 1.472,1215 1.719,1216 1.79,1217 0.927,1218 1.773,1219 1.405,1220 1.336,1221 1.672,1222 1.607,1223 0.802,1224 1.634,1225 1.084,1226 1.012,1227 1.276,1228 1.384,1229 0.312,1230 1.363,1231 0.809,1232 0.764,1233 0.97,1234 0.998,1235 0.134,1236 0.991,1237 0.669,1238 0.617,1239 0.879,1240 0.95,1242 0.968,1243 0.342,1244 0.233,1245 0.678,1246 0.663,1248 0.671,1249 0.238,1250 0.098,1251 0.641,1252 0.602,1254 0.646,1255 3.664,1257 4.99,1259 6.515,1261 8.144,1263 9.835,1265 1.825,1266 12.027,1267 24.232,1271 -0.449,1272 5.452,1275 -2.673,1280 19.647,1281 56.019,1282 109.23,1283 128.127,1284 132.127,1285 132.127,1286 132.127,1287 34.757,1288 6.219,1289 36.42,1290 36.42,1291 12,1292 12.091,1293 3,1294 2.322,1295 30.982,1296 51,1297 48,1298 0.33,1299 129.235,1300 228.24,1301 307.093,1302 3161,1303 13.8,1304 13.284,1305 0.738,1306 0.61,1307 12.707,1308 10.987,1309 8.486,1310 0.447,1311 0.321,1312 5.283,1313 7.508,1314 5.127,1315 4.174,1316 8.208,1317 6.091,1318 8.037,1319 0.298,1320 0.173,1321 7.559,1322 4.658,1323 6.192,1324 0.182,1325 0.099,1326 6.705,1327 3.369,1328 5.011,1329 0.114,1330 0.051,1331 5.428,1332 2.253,1333 4.012,1334 0.073,1335 0.026,1336 4.096,1337 1.429,1338 0.498,1339 60.27,1340 0.291,1341 17.843,1342 0.957,1343 92,1344 414.94,1345 137.373,1346 403.644,1347 505.83,1348 374,1349 107,1350 297.134,1351 147.026,1352 308.992,1353 461.87,1354 291,1355 6.201} {0 CHEMBL430500,1 1.517,2 13.281,3 2.868,4 8.227,5 127.564,6 6.763,7 0.343,8 4.264,9 4.398,10 3.756,11 3.7,12 5.266,13 3.684,14 4.848,15 5.059,16 4.086,17 4.09,18 5.775,19 4.055,20 5.072,21 5.29,22 4.193,23 4.31,24 5.967,25 4.234,26 5.208,27 5.44,28 4.157,29 4.363,30 6.108,31 4.254,32 5.272,33 5.533,34 4.099,35 4.336,36 6.151,37 4.219,38 5.164,39 5.414,40 3.984,41 4.276,42 6.002,43 4.135,44 5.14,45 5.432,46 3.891,47 4.154,48 5.965,49 3.999,50 5.012,51 5.303,52 3.838,53 3.945,54 5.958,55 3.852,56 0.021,57 0.966,58 15.409,59 5.491,60 9.982,61 8.159,62 0.482,63 1.517,64 29.779,65 8.288,66 32.315,67 13.062,68 0.484,69 1.85,70 36.808,71 11.797,72 31.589,73 17.803,74 0.372,75 1.958,76 42.351,77 14.243,78 47.824,79 21.106,80 0.743,81 1.952,82 46.618,83 13.96,84 66.752,85 21.2,86 0.573,87 1.817,88 41.017,89 13.512,90 45.407,91 20.3,92 0.481,93 1.689,94 40.349,95 12.553,96 50.018,97 19.854,98 0.674,99 1.412,100 36.795,101 9.161,102 65.514,103 15.022,104 21,105 48,106 0.243,107 0.485,108 0.627,109 0.736,110 0.808,111 0.813,112 3.502,113 0.955,114 -2.76,115 -2.77,116 -2.69,119 36.9,124 3,125 8,140 7,142 5,157 1,169 4,171 1,172 4,174 2,176 2,178 3,181 4,182 7,186 1,189 2,193 7,195 1,202 1,203 4,206 2,214 4,215 3,225 2,226 5,229 1,231 1,236 1,237 3,240 1,242 2,248 3,249 1,254 1,256 2,259 1758,260 21.963,261 21.963,262 21.963,263 21.963,264 21.963,265 20.407,266 35.132,267 12.888,268 22.794,269 17.129,270 17.129,271 17.129,272 17.129,273 17.129,274 14.619,275 52.91,276 5.919,277 18.248,278 4.506,279 2.999,280 2.114,281 1.435,282 0.989,283 0.958,284 4.199,288 1,289 1,290 916,291 3.24,295 459.065,302 2.094,303 23.443,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 69.5,315 425,316 4.354,317 3.692,318 6.521,319 4.009,320 3.061,321 3.963,322 1.701,323 10.27,324 2.9,325 4.295,326 3.302,327 6.5,328 3.967,329 3.024,330 3.862,331 0.86,332 10.166,333 2.848,334 3.973,335 3.271,336 6.046,337 3.725,338 2.779,339 3.178,340 0.86,341 8.672,342 2.617,343 3.594,344 2.781,345 5.357,346 3.4,347 2.467,348 2.8,349 0.8,350 6.901,351 2.3,352 3.436,353 2.624,354 5.24,355 3.193,356 2.257,357 2.531,358 0.8,359 6.45,360 2.107,361 3.299,362 2.417,363 5.171,364 3.019,365 2.083,366 2.435,367 0.8,368 6.151,369 1.945,370 3.101,371 2.398,372 4.923,373 2.87,374 1.962,375 2.18,376 0.563,377 5.603,378 1.779,379 2.917,380 2.161,381 4.191,382 2.465,383 1.503,384 2.085,385 0.075,386 3.695,387 1.438,388 2.722,389 1.672,390 3.991,391 2.366,392 1.378,393 1.74,395 3.191,396 1.35,397 2.468,398 1.335,399 3.898,400 2.109,401 1.137,402 1.46,404 3.041,405 1.103,406 2.331,407 1.215,408 3.591,409 1.995,410 1.026,411 1.264,413 2.651,414 0.988,415 2,416 1.146,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 2,425 1.146,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.795,434 1.095,435 3.018,436 1.513,437 0.627,438 0.704,440 1.107,441 0.548,442 1.641,443 0.939,444 2.791,445 1.356,446 0.48,447 0.542,449 0.744,450 0.416,451 15,452 0.469,453 0.674,454 0.021,455 38.25,456 1.195,457 16,458 0.5,459 22.25,460 0.695,461 29.533,462 0.923,463 36.6,464 0.563,465 30.651,466 0.958,467 7.916,468 0.247,469 7.668,470 0.24,471 0.122,473 0.307,479 0.881,480 1.752,481 0.865,482 1.369,483 0.611,484 1.145,485 1.285,486 1.01,487 0.988,488 0.805,489 0.684,490 0.826,491 0.982,492 1.044,493 1.051,494 1.046,495 0.84,496 1.044,497 1.023,498 1.234,499 1.056,500 1.228,501 1.265,502 1.165,503 1.253,504 0.887,505 1.061,506 0.903,507 1.444,508 0.949,509 0.915,510 1.12,511 1.096,512 1.158,513 0.914,514 1.165,515 0.555,516 1.073,517 0.835,518 1.048,519 0.723,520 0.989,521 1.276,522 0.797,523 0.877,524 0.684,525 1.685,526 0.701,527 6,528 0.136,529 4,530 2.063,531 1.68,532 1.063,533 0.785,534 0.648,535 0.312,536 0.168,537 15115,538 34728,539 2.082,540 50.8,542 32,545 1,550 1.742,551 1.959,552 3.675,553 -0.341,555 1,559 98.585,560 1.517,561 3.024,562 3.908,563 4.587,564 5.034,565 5.064,566 3.129,567 4.539,568 4.972,569 3.872,570 1920.72,571 8.681,572 28881.7,577 391.454,578 1.366,579 4.936,580 0.171,581 0.005,582 0.083,583 0.04,584 0.035,585 0.024,586 0.02,587 0.019,588 0.009,589 0.006,590 0.411,591 0.33,592 1,593 0.781,594 170.179,595 -0.008,596 -0.434,597 0.087,598 -0.201,599 0.014,600 -0.067,601 -0.088,602 0.164,603 0.033,604 0.175,605 0.05,606 0.133,607 -0.017,608 0.098,609 -0.07,610 -0.019,611 -0.006,612 -0.044,613 -0.057,614 -0.204,615 -0.085,616 -0.187,617 -0.064,618 -0.149,619 -0.092,620 0.081,621 -0.053,622 0.058,623 -0.13,624 0.014,625 0.025,626 -0.122,627 -0.125,628 -0.143,629 -0.057,630 -0.162,631 0.188,632 -0.142,633 0.125,634 -0.084,635 0.162,636 -0.001,637 0.006,638 0.113,639 0.166,640 0.184,641 0.096,642 0.206,643 1.737,644 5.939,645 0.75,646 36.121,647 0.998,648 1.137,649 1.529,650 2.338,651 0.632,652 3.584,653 3.892,654 4.174,655 4.407,656 4.644,657 4.663,658 4.787,659 4.875,660 4.89,661 4.92,662 7.841,663 0.594,664 439.62,665 3.584,666 5.118,667 5.969,668 6.838,669 7.704,670 8.577,671 9.447,672 10.322,673 11.194,674 12.069,675 7.7,678 1,681 2,682 2,688 7,693 5,695 12,709 2,712 2,714 65,716 13,717 2,718 35,720 68,721 24,722 12,723 5,724 7,730 4,731 4,735 1,745 13,746 11,750 1,755 1,759 1,764 33,765 8,766 1,767 8,773 5,777 1,778 3,793 4,815 1,819 4,823 3,827 32,833 8,834 1,835 2,838 4,847 4.6,850 1,852 2,854 16.333,855 12.383,856 7.222,857 3.803,858 2.184,859 1.279,860 0.965,861 7.654,862 10.008,863 3.761,864 4.263,865 4.762,866 5.232,867 5.694,868 5.769,869 6.021,870 6.198,871 6.294,872 6.456,873 0.889,874 52,875 11.866,877 4.903,878 7.578,879 23.159,881 18.772,883 2.078,884 66.5,888 376.675,889 136.375,890 30.508,892 47.145,895 136.375,896 423.82,897 30.508,898 30.162,899 37.981,900 66.334,901 25.145,902 50.13,903 4.276,904 376.675,906 376.675,907 166.883,908 47.145,911 376.675,912 47.145,915 41.105,916 125.778,919 376.675,920 77.653,921 136.375,924 376.675,925 39.879,926 108.993,927 18.011,928 47.145,929 376.675,930 77.653,931 136.375,933 0.574,934 0.348,935 0.188,936 0.104,937 22,938 10,939 0.074,940 5,942 1,943 4.33,944 287.019,946 24,947 152,951 23.018,952 10.64,953 5.442,955 77.653,956 13.87,961 4.58,963 18.011,964 590.703,965 42,970 12.939,974 -0.07,975 64.861,976 73.933,977 0.252,978 0.502,979 0.649,980 0.762,981 0.836,982 0.841,983 5.011,984 1.503,985 5.943,986 5.603,987 4.575,988 4.949,989 2.508,990 6.742,991 4.456,992 6.166,993 1.378,994 7.496,995 3.695,996 4.111,997 4.649,998 1.577,999 7.636,1000 3.915,1001 7.449,1002 1.137,1003 9.149,1004 3.191,1005 6.159,1006 6.992,1007 2.765,1008 10.714,1009 5.923,1010 8.762,1011 1.026,1012 10.86,1013 3.041,1014 6.524,1015 7.518,1016 2.548,1017 12.437,1018 6.206,1019 10.111,1020 1,1021 12.61,1022 2.651,1023 8.017,1024 9.351,1025 3.467,1026 15.025,1027 7.665,1028 11.481,1029 1,1030 14.385,1031 2.275,1032 8.764,1033 10.265,1034 3.624,1035 17.087,1036 8.336,1037 12.869,1038 0.627,1039 16.18,1040 2.275,1041 10.027,1042 11.88,1043 4.379,1044 19.504,1045 9.562,1046 3.061,1047 0.48,1048 17.988,1049 1.107,1050 10.959,1051 12.994,1052 4.72,1053 21.712,1054 10.424,1055 3.024,1056 10.27,1057 19.808,1058 0.744,1059 12.125,1060 14.499,1061 5.378,1062 24.066,1063 11.547,1064 2.779,1065 10.166,1066 21.636,1067 3.963,1068 13.146,1069 15.721,1070 5.809,1071 26.337,1072 12.503,1073 2.467,1074 8.672,1075 23.471,1076 3.862,1077 14.271,1078 17.167,1079 6.41,1080 28.668,1081 13.581,1082 2.257,1083 6.901,1084 25.312,1085 3.178,1086 15.335,1087 18.45,1088 6.887,1089 30.965,1090 14.583,1091 2.083,1092 6.45,1093 27.157,1094 2.8,1095 16.445,1096 19.863,1097 7.458,1098 33.289,1099 15.643,1100 1.962,1101 6.151,1102 29.006,1103 2.531,1104 17.529,1105 21.18,1106 7.96,1107 35.599,1108 16.668,1109 14389,1110 21953,1111 23.463,1112 41.052,1113 51.851,1114 52.997,1115 53.846,1116 51.556,1117 51.566,1118 61.489,1119 12.92,1120 146.379,1121 48.54,1122 5.354,1123 5.692,1124 6.213,1125 5.076,1126 5.061,1127 6.963,1128 2.972,1129 17.006,1130 4.9,1131 15.408,1132 1.481,1133 1.514,1134 1.538,1135 1.473,1136 1.473,1137 1.757,1138 0.369,1139 4.182,1140 1.387,1141 4.008,1142 4.052,1143 3.948,1144 3.884,1145 7.429,1146 3.894,1147 3.934,1148 3.973,1149 3.877,1150 3.833,1151 4.881,1152 3.839,1153 3.766,1154 3.829,1155 3.669,1156 3.567,1157 4.849,1158 3.58,1159 3.713,1160 3.769,1161 3.604,1162 3.541,1163 4.426,1164 3.548,1165 3.359,1166 3.411,1167 3.274,1168 3.075,1169 4.397,1170 3.119,1171 3.249,1172 3.315,1173 3.063,1174 2.969,1175 4.349,1176 2.979,1177 3.211,1178 3.303,1179 3.03,1180 2.941,1181 4.258,1182 2.94,1183 3.166,1184 3.243,1185 3.007,1186 2.941,1187 3.889,1188 2.92,1189 0.124,1190 0.105,1191 0.186,1192 0.115,1193 0.087,1194 4.354,1195 0.113,1196 3.692,1197 0.049,1198 6.521,1199 0.293,1200 4.009,1201 0.083,1202 3.061,1203 3.963,1204 1.701,1205 10.27,1206 2.9,1207 1.922,1208 1.89,1209 2.041,1210 2.081,1211 1.306,1212 2.071,1213 1.904,1214 1.874,1215 2.026,1216 2.05,1217 1.293,1218 2.046,1219 1.718,1220 1.65,1221 1.909,1222 1.924,1223 1.052,1224 1.921,1225 1.68,1226 1.616,1227 1.875,1228 1.864,1229 1.024,1230 1.87,1231 1.244,1232 1.186,1233 1.573,1234 1.563,1235 0.825,1236 1.554,1237 1.197,1238 1.124,1239 1.573,1240 1.512,1241 0.825,1242 1.533,1243 1.174,1244 1.074,1245 1.54,1246 1.475,1247 0.641,1248 1.497,1249 1.153,1250 1.064,1251 1.513,1252 1.399,1253 0.576,1254 1.429,1255 4.263,1257 5.572,1259 7.089,1261 8.694,1263 10.342,1265 5.515,1271 6.749,1272 3.08,1273 11.067,1276 8.771,1280 38.627,1281 98.585,1282 196.545,1283 254.028,1284 298.17,1285 327.189,1286 329.189,1287 51.285,1288 7.824,1289 60.52,1290 60.52,1291 24,1292 12.609,1293 3.807,1294 3,1295 52.085,1296 153,1297 138,1298 0.165,1299 236.881,1300 415.41,1301 569.751,1302 29475,1304 22.501,1305 0.703,1306 0.6,1307 22.501,1308 19.212,1309 15.584,1310 0.445,1311 0.318,1312 10.906,1313 14.738,1314 10.589,1315 8.778,1316 15.584,1317 11.142,1318 13.536,1319 0.282,1320 0.172,1321 13.536,1322 8.253,1323 11.771,1324 0.184,1325 0.098,1326 11.771,1327 6.267,1328 9.596,1329 0.118,1330 0.053,1331 9.596,1332 4.306,1333 7.922,1334 0.077,1335 0.03,1336 7.922,1337 3.118,1338 0.265,1339 99.142,1340 0.206,1341 30.252,1342 0.438,1343 166,1344 470.12,1345 185.184,1346 441.812,1347 605.99,1348 418,1349 195,1350 442.192,1351 216.018,1352 447.456,1353 652.72,1354 417,1355 7.046} {0 CHEMBL431041,1 1.496,2 8.4,3 1.752,4 3.07,5 78.726,6 6.81,7 0.455,8 3.782,9 3.926,10 3.279,11 3.274,12 4.788,13 3.246,14 4.355,15 4.564,16 3.639,17 3.689,18 5.319,19 3.633,20 4.607,21 4.84,22 3.618,23 3.838,24 5.514,25 3.734,26 4.673,27 4.948,28 3.531,29 3.823,30 5.506,31 3.679,32 4.578,33 4.861,34 3.424,35 3.676,36 5.422,37 3.544,38 4.393,39 4.656,40 3.299,41 3.532,42 5.278,43 3.415,44 4.264,45 4.519,46 3.171,47 3.397,48 5.195,49 3.269,50 4.22,51 4.507,52 2.779,53 3.197,54 5.106,55 3.032,56 0.032,57 0.622,58 9.26,59 3.361,60 5.907,61 5.059,62 0.198,63 0.99,64 17.414,65 5.68,66 19.281,67 8.79,68 0.255,69 1.164,70 22.902,71 7.447,72 31.351,73 11.362,74 0.231,75 1.158,76 24.66,77 8.299,78 31.533,79 12.918,80 0.24,81 1.033,82 22.75,83 6.96,84 29.766,85 11.052,86 0.246,87 0.887,88 18.807,89 5.679,90 22.494,91 8.895,92 0.159,93 0.763,94 16.306,95 5.275,96 22.141,97 8.216,98 0.257,99 0.654,100 16.293,101 4.448,102 27.289,103 7.067,104 12,105 31,106 0.268,107 0.633,108 0.812,109 0.821,110 0.821,111 0.821,112 3.058,113 0.965,114 -2.74,115 -2.76,116 -2.68,119 37.5,120 1,121 2,122 1,124 1,125 2,140 2,141 1,144 1,145 1,149 1,150 1,156 1,169 4,172 5,174 2,176 4,178 3,182 3,184 1,186 3,189 1,192 1,193 5,197 3,199 3,203 1,207 1,208 1,211 4,214 1,215 1,218 1,220 2,222 3,226 2,229 1,231 1,233 1,237 3,240 1,244 2,259 488,260 13.378,261 13.378,262 13.378,263 13.378,264 13.378,265 12.066,266 18.206,267 7.863,268 13.623,269 10.875,270 10.875,271 10.875,272 10.875,273 10.875,274 8.843,275 23.82,276 3.766,277 11.27,278 3.826,279 1.784,280 0.788,281 0.738,282 0.738,283 0.738,284 3.737,287 1,288 1,289 1,290 357,291 2.646,294 40.663,295 104.956,298 74.498,302 1.34,303 14.762,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 43,315 168,316 4.586,317 3.535,318 6.719,319 4.149,320 3.172,321 4.52,322 1.907,323 10.946,324 3.099,325 3.861,326 3.294,327 5.781,328 3.596,329 2.631,330 3.226,331 0.8,332 7.931,333 2.539,334 3.645,335 2.782,336 5.358,337 3.384,338 2.426,339 2.876,340 0.149,341 6.945,342 2.327,343 3.343,344 2.532,345 5.034,346 3.107,347 2.156,348 2.51,350 6.005,351 2.04,352 3.27,353 2.234,354 4.555,355 2.849,356 1.85,357 2.39,359 4.578,360 1.827,361 2.848,362 1.522,363 4.41,364 2.471,365 1.502,366 1.951,368 4.325,369 1.452,370 2.549,371 1.18,372 3.954,373 2.093,374 1.14,375 1.563,377 3.015,378 1.083,379 2.043,380 1.077,381 3.414,382 1.984,383 1,384 1,386 2.275,387 0.983,388 2,389 0.768,390 3.238,391 1.59,392 0.63,393 0.868,395 1.536,396 0.603,397 1.218,398 0.54,399 2.646,400 0.891,401 -0.067,402 -0.078,404 -0.163,405 -0.064,406 0.843,407 0.098,408 2.483,409 0.672,410 -0.286,411 -0.318,413 -0.693,414 -0.272,415 0.646,416 -0.095,417 2.159,418 0.133,419 -0.851,420 -1,422 -2,423 -0.818,424 0.543,425 -0.634,426 2,427 0.098,428 -0.89,429 -1.045,431 -2.237,432 -0.849,433 0.291,434 -0.784,435 2,436 0.049,437 -1,438 -1.233,440 -2.674,441 -0.946,443 -0.824,444 1.683,445 -0.049,446 -1,447 -1.37,449 -3,450 -1.095,451 9.433,452 0.472,453 0.541,454 0.027,455 23.5,456 1.175,457 10,458 0.5,459 13.5,460 0.675,461 16.411,462 0.821,463 22.367,464 0.559,465 14.893,466 0.745,467 4.46,468 0.223,469 5.171,470 0.259,471 0.141,473 0.36,479 0.83,480 1.539,481 0.87,482 1.199,483 0.578,484 1.055,485 0.802,486 1.128,487 0.876,488 0.97,489 0.464,490 0.927,491 1.137,492 1.084,493 1.117,494 1.065,495 1.081,496 1.086,497 0.582,498 1.044,499 0.895,500 1.04,501 0.435,502 1.01,503 0.871,504 0.972,505 0.927,506 0.946,507 0.758,508 0.937,509 1.046,510 0.917,511 1.085,512 0.986,513 0.898,514 1.023,515 0.77,516 1.248,517 1.007,518 1.235,519 0.755,520 1.163,521 1.514,522 0.815,523 1.296,524 0.979,525 1.565,526 1.085,527 4.5,528 0.058,529 2.222,530 1.257,531 1.001,532 0.573,533 0.455,534 0.312,535 0.144,536 0.071,537 3623,538 8474,539 2.077,540 50,541 1,542 9,543 1,545 2,546 3,547 4,550 1.619,551 1.935,552 3.081,553 0.361,555 1,557 1,559 59.835,560 1.496,561 3.538,562 4.534,563 4.584,564 4.584,565 4.584,566 2.504,567 3.884,568 4.289,569 3.178,570 603.899,571 7.339,572 6047.02,573 1,574 1,576 1,577 212.877,578 1.441,579 4.248,580 0.205,581 0.019,582 0.072,583 0.043,584 0.038,585 0.025,586 0.023,587 0.018,588 0.014,589 0.01,590 0.468,591 0.67,592 1,593 1.059,594 87.789,595 -0.045,596 -0.242,597 0.058,598 -0.064,599 -0.018,601 0.082,602 0.034,603 0.083,604 0.065,605 0.15,606 0.074,607 -0.149,608 -0.019,609 -0.152,610 -0.052,611 -0.106,612 -0.098,613 0.089,614 -0.08,615 0.047,616 -0.035,617 0.111,618 -0.004,619 -0.01,620 -0.013,621 0.043,622 0.01,623 -0.01,624 0.032,625 -0.06,626 0.108,627 -0.106,628 -0.034,629 -0.075,630 -0.067,631 0.109,632 -0.262,633 -0.048,634 -0.238,635 0.09,636 -0.174,637 -0.235,638 0.115,639 -0.282,640 -0.088,641 -0.217,642 -0.173,643 1.756,644 4.146,645 0.75,646 14.52,647 0.995,648 1.138,649 1.515,650 2.295,651 0.639,652 3.135,653 3.466,654 3.714,655 4.007,656 4.234,657 4.331,658 4.466,659 4.554,660 4.489,661 4.443,662 4.974,663 0.6,664 272.39,665 3.135,666 4.673,667 5.517,668 6.402,669 7.272,670 8.164,671 9.046,672 9.941,673 10.83,674 11.728,675 10,678 1,682 1,683 1,685 1,687 2,688 3,689 1,690 1,693 2,695 10,714 40,716 11,718 22,720 42,721 15,722 7,730 3,731 4,736 1,740 2,741 1,743 2,745 8,746 7,747 1,750 1,755 1,759 1,760 1,761 1,764 20,765 4,766 2,767 5,773 4,777 0.667,778 1,786 1,788 1,792 1,793 2,796 1,805 1,815 1,819 2,823 2,827 20,833 4,834 1,837 1,838 1,847 2.5,850 1,854 10.333,855 7.65,856 4.333,857 2.465,858 2.174,859 1.32,860 0.985,861 3.66,862 8.96,863 3.367,864 3.956,865 4.518,866 5.159,867 5.666,868 6.042,869 6.459,870 6.821,871 6.759,872 6.909,873 0.833,874 29,875 7.399,877 3.112,878 7.633,879 14.468,881 12.068,883 2.133,884 42.667,885 0.001,888 211.88,889 69.008,890 54.706,892 25.145,895 69.008,896 237.025,897 54.706,898 17.222,899 27.291,900 28,901 46.635,902 25.24,903 16.243,904 200.109,906 211.88,907 123.715,908 25.145,911 164.795,912 72.229,915 58.17,916 48.759,917 16.786,919 211.88,920 79.851,921 69.008,924 211.88,925 23.787,926 48.346,927 34.796,928 41.93,929 211.88,930 79.851,931 69.008,933 0.584,934 0.321,935 0.177,936 0.102,937 16,938 7,939 0.048,940 2,941 1,942 1.133,943 3.233,944 151.961,945 0.133,946 15,947 82.439,951 13.438,952 5.447,953 2.83,954 2.027,955 63.066,956 5.885,957 4.593,958 3.288,961 1.902,963 34.796,964 360.739,965 28,970 11.146,974 -0.09,975 39.803,976 45.524,977 0.281,978 0.665,979 0.852,980 0.861,981 0.861,982 0.861,983 4.61,984 1,985 5.509,986 3.015,987 4.143,988 4.64,989 2.08,990 6.315,991 4.076,992 5.807,993 0.63,994 7.062,995 2.275,996 3.761,997 4.527,998 1.668,999 7.209,1000 3.677,1001 7.113,1002 -0.067,1003 8.713,1004 1.536,1005 5.727,1006 6.846,1007 2.929,1008 10.307,1009 5.596,1010 8.453,1011 -0.286,1012 10.421,1013 -0.163,1014 6.133,1015 7.6,1016 3.047,1017 12.065,1018 5.99,1019 9.827,1020 -0.851,1021 12.17,1022 -0.693,1023 7.598,1024 9.433,1025 4.042,1026 14.695,1027 7.416,1028 11.228,1029 -0.89,1030 13.948,1031 -2,1032 8.382,1033 10.601,1034 4.412,1035 16.824,1036 8.189,1037 12.65,1038 -1,1039 15.749,1040 -2.237,1041 9.644,1042 12.241,1043 5.251,1044 19.296,1045 9.419,1046 3.172,1047 -1,1048 17.569,1049 -2.674,1050 10.615,1051 13.602,1052 5.75,1053 21.581,1054 10.377,1055 2.631,1056 10.946,1057 19.403,1058 -3,1059 11.797,1060 15.163,1061 6.501,1062 24,1063 11.532,1064 2.426,1065 7.931,1066 21.249,1067 4.52,1068 12.859,1069 16.608,1070 7.068,1071 26.347,1072 12.578,1073 2.156,1074 6.945,1075 23.106,1076 3.226,1077 14.012,1078 18.137,1079 7.771,1080 28.748,1081 13.707,1082 1.85,1083 6.005,1084 24.97,1085 2.876,1086 15.119,1087 19.619,1088 8.374,1089 31.122,1090 14.795,1091 1.502,1092 4.578,1093 26.842,1094 2.51,1095 16.264,1096 21.135,1097 9.051,1098 33.517,1099 15.918,1100 1.14,1101 4.325,1102 28.719,1103 2.39,1104 17.392,1105 22.632,1106 9.674,1107 35.901,1108 17.026,1109 3591,1110 5591,1111 14.622,1112 25.569,1113 33.382,1114 33.691,1115 34.199,1116 33.017,1117 33.014,1118 41.809,1119 5.712,1120 95.113,1121 31.905,1122 5.586,1123 5.535,1124 6.133,1125 5.199,1126 5.172,1127 7.52,1128 3.306,1129 18.076,1130 5.059,1131 9.693,1132 1.517,1133 1.531,1134 1.555,1135 1.501,1136 1.501,1137 1.9,1138 0.26,1139 4.323,1140 1.45,1141 4.13,1142 4.172,1143 4.092,1144 4.016,1145 7.43,1146 4.03,1147 3.807,1148 3.875,1149 3.689,1150 3.654,1151 5.039,1152 3.653,1153 3.601,1154 3.655,1155 3.519,1156 3.373,1157 4.426,1158 3.398,1159 3.337,1160 3.4,1161 3.219,1162 3.173,1163 4.322,1164 3.175,1165 3.18,1166 3.277,1167 3.001,1168 2.953,1169 3.915,1170 2.948,1171 3.111,1172 3.206,1173 2.866,1174 2.941,1175 3.832,1176 2.91,1177 2.854,1178 2.946,1179 2.709,1180 2.635,1181 3.711,1182 2.644,1183 2.652,1184 2.778,1185 2.387,1186 2.379,1187 3.474,1188 2.354,1189 0.208,1190 0.161,1191 0.305,1192 0.189,1193 0.144,1194 4.586,1195 0.205,1196 3.535,1197 0.087,1198 6.719,1199 0.498,1200 4.149,1201 0.141,1202 3.172,1203 4.52,1204 1.907,1205 10.946,1206 3.099,1207 1.919,1208 1.882,1209 2.068,1210 2.055,1211 1.436,1212 2.059,1213 1.809,1214 1.756,1215 1.932,1216 1.988,1217 1.027,1218 1.978,1219 1.466,1220 1.408,1221 1.706,1222 1.733,1223 0.825,1224 1.718,1225 1.443,1226 1.382,1227 1.659,1228 1.661,1229 0.809,1230 1.664,1231 1.163,1232 1.066,1233 1.513,1234 1.434,1235 0.719,1236 1.462,1237 1.153,1238 1.064,1239 1.486,1240 1.376,1241 0.557,1242 1.429,1243 0.976,1244 0.909,1245 1.218,1246 1.184,1247 0.341,1248 1.208,1249 0.666,1250 0.561,1251 1.044,1252 0.996,1253 0.222,1254 1.021,1255 3.807,1257 5.13,1258 2.398,1259 6.64,1260 4.727,1261 8.239,1262 6.843,1263 9.888,1265 3.666,1271 4.58,1272 2.752,1275 0.556,1276 2.363,1280 24.015,1281 59.835,1282 141.519,1283 181.367,1284 183.367,1285 183.367,1286 183.367,1287 26.853,1288 6.786,1289 61.02,1290 61.02,1291 17,1292 12.253,1293 3.585,1294 2.807,1295 29.901,1296 58,1297 61,1298 0.258,1299 149.012,1300 248.77,1301 355.349,1302 6916,1304 14.113,1305 0.706,1306 0.597,1307 14.113,1308 11.941,1309 9.631,1310 0.438,1311 0.322,1312 6.974,1313 9.244,1314 6.752,1315 5.615,1316 9.631,1317 7.074,1318 8.994,1319 0.29,1320 0.18,1321 8.994,1322 5.595,1323 7.048,1324 0.176,1325 0.1,1326 7.048,1327 4.014,1328 6.042,1329 0.112,1330 0.054,1331 6.042,1332 2.9,1333 4.898,1334 0.072,1335 0.031,1336 4.898,1337 2.106,1338 0.393,1339 60.331,1340 0.262,1341 19.707,1342 0.741,1343 106,1344 275.691,1345 115.847,1346 268.972,1347 369.68,1348 252,1349 124,1350 274.439,1351 133.516,1352 279.257,1353 405.73,1354 262,1355 6.602} {0 CHEMBL431211,1 1.404,2 12.652,3 2.337,4 5.463,5 93.152,6 6.206,7 0.24,8 4.003,9 4.153,10 3.414,11 3.47,12 4.887,13 3.424,14 4.6,15 4.816,16 3.696,17 3.863,18 5.433,19 3.77,20 4.899,21 5.178,22 3.671,23 3.962,24 5.624,25 3.821,26 4.822,27 5.112,28 3.442,29 3.847,30 5.511,31 3.683,32 4.723,33 5.024,34 3.293,35 3.763,36 5.358,37 3.573,38 4.659,39 4.967,40 3.19,41 3.685,42 5.257,43 3.482,44 4.587,45 4.901,46 3.129,47 3.599,48 5.202,49 3.399,50 4.483,51 4.788,52 3.065,53 3.517,54 5.105,55 3.32,56 0.067,57 0.751,58 12.874,59 4.585,60 7.019,61 6.997,62 0.263,63 1.17,64 23.504,65 7.813,66 19.814,67 11.885,68 0.382,69 1.334,70 31.238,71 9.419,72 28.252,73 15.004,74 0.341,75 1.212,76 28.828,77 8.365,78 25.55,79 13.621,80 0.286,81 1.091,82 25.687,83 8.233,84 20.991,85 12.978,86 0.209,87 1.006,88 23.808,89 7.872,90 17.342,91 12.409,92 0.262,93 0.926,94 22.26,95 7.317,96 18.742,97 11.381,98 0.229,99 0.844,100 20.038,101 6.591,102 15.69,103 10.371,105 31,106 0.241,107 0.532,108 0.737,109 0.858,110 0.899,111 0.905,112 3.186,113 1.067,114 -3.56,115 -3.53,116 -3.37,119 35.3,121 5,125 5,127 1,140 4,141 1,142 1,157 1,169 7,172 4,174 2,175 1,176 3,178 6,182 3,184 1,186 3,189 5,193 2,197 3,199 3,203 2,207 1,208 3,211 2,215 1,220 2,222 3,229 1,230 1,231 1,233 4,240 1,242 1,244 4,254 2,256 3,259 758,260 16.173,261 16.173,262 16.173,263 16.173,264 16.173,265 15.137,266 24.585,267 10.298,268 16.557,269 12.421,270 12.421,271 12.421,272 12.421,273 12.421,274 10.873,275 30.384,276 4.99,277 13.06,278 4.268,279 2.569,280 1.373,281 0.667,282 0.431,283 0.392,284 3.88,287 1,288 1,289 1,290 633,291 3,295 219.766,299 113.308,302 1.958,303 13.975,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 49,315 291,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 1.263,323 9.226,324 2.805,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.388,335 2.555,336 5.257,337 3.259,338 2.304,339 2.443,340 0.4,341 6.678,342 2.19,343 2.928,344 2.002,345 4.415,346 2.779,347 1.807,348 2.077,349 0.277,350 4.371,351 1.754,352 2.873,353 1.906,354 3.854,355 2.591,356 1.618,357 1.989,358 0.247,359 3.668,360 1.569,361 2.791,362 1.738,363 3.648,364 2.488,365 1.532,366 1.802,368 3.18,369 1.461,370 2.535,371 1.499,372 3.606,373 2.398,374 1.414,375 1.532,377 3.01,378 1.386,379 2.283,380 1.426,381 3.366,382 2.158,383 1.208,384 1.255,386 2.544,387 1.144,388 2.075,389 1.367,390 3.247,391 1.917,392 1,393 1.042,395 2.136,396 0.916,397 1.906,398 0.886,399 3.163,400 1.721,401 0.742,402 0.836,404 1.668,405 0.724,406 1.654,407 0.798,408 2.913,409 1.512,410 0.577,411 0.613,413 1.269,414 0.537,415 1.095,416 0.262,417 2.493,418 0.965,419 0.024,420 0.025,422 0.053,423 0.022,424 0.762,425 -0.157,426 2.234,427 0.565,428 -0.384,429 -0.41,431 -0.875,432 -0.361,433 0.688,434 -0.31,435 2,436 0.352,437 -0.618,438 -0.714,440 -1.464,441 -0.595,442 0.414,443 -0.406,444 1.945,445 0.257,446 -0.68,447 -0.729,449 -1.601,450 -0.633,451 10.933,452 0.475,453 0.256,454 0.011,455 23,456 1,457 8,458 0.348,459 15,460 0.652,461 20.95,462 0.911,463 26.867,464 0.527,465 13.161,466 0.572,467 4.287,468 0.186,469 7.129,470 0.31,473 0.183,479 1.031,480 1.524,481 0.997,482 1.281,483 0.942,484 1.15,485 1.153,486 1.173,487 1.134,488 1.214,489 1.069,490 1.176,491 1.32,492 0.996,493 1.016,494 0.954,495 1.203,496 0.955,497 1.453,498 0.967,499 1.151,500 0.961,501 1.365,502 1.011,503 1.014,504 0.907,505 1.045,506 0.969,507 1.006,508 1.004,509 0.809,510 1.01,511 0.959,512 1.021,513 0.812,514 1.01,515 0.808,516 0.818,517 0.934,518 0.915,519 0.814,520 0.937,521 0.758,522 0.981,523 0.936,524 0.989,525 0.807,526 0.987,527 2.5,528 0.045,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.099,535 0.049,536 0.077,537 7469,538 14691,539 2.146,540 54.9,541 2,542 15,545 3,547 6,548 2,550 1.644,551 2.123,552 3.622,553 0.989,554 1,555 1,559 71.629,560 1.404,561 3.104,562 4.3,563 5.006,564 5.241,565 5.28,566 3.067,567 4.176,568 4.499,569 3.795,570 960.163,571 7.673,572 12260.9,574 1,576 1,577 289.294,578 0.667,579 4.503,580 0.1,581 0.003,582 0.043,583 0.017,584 0.03,585 0.011,586 0.008,587 0.006,588 0.003,589 0.005,590 0.228,591 0.5,592 1,594 113.098,595 -0.029,596 -0.159,597 0.06,598 -0.05,599 0.031,600 0.008,601 0.038,602 0.015,603 -0.091,604 -0.133,605 0.055,606 -0.127,607 -0.042,608 -0.017,609 -0.003,610 0.009,611 -0.031,612 0.008,613 -0.205,614 0.009,615 -0.14,616 -0.028,617 -0.216,618 -0.069,619 -0.071,620 0.044,621 -0.075,622 -0.011,623 -0.09,624 -0.039,625 -0.023,626 -0.091,627 -0.014,628 -0.05,629 -0.006,630 -0.034,631 0.052,632 0.095,633 0.02,634 0.031,635 0.044,636 0.021,637 0.086,638 -0.061,639 0.016,640 -0.02,641 0.034,642 -0.013,643 1.024,644 2.54,645 0.696,646 22.389,647 0.987,648 1.141,649 2.331,650 5.434,651 0.62,652 3.258,653 3.466,654 3.664,655 3.85,656 4.043,657 3.912,658 3.932,659 3.951,660 3.951,661 3.738,662 7.512,663 0.571,664 316.5,665 3.258,666 4.727,667 5.525,668 6.34,669 7.154,670 7.977,671 8.798,672 9.626,673 10.452,674 11.284,675 7.8,677 3,684 1,688 4,693 2,695 6,712 1,714 51,716 7,717 1,718 25,720 53,721 18,722 6,723 2,724 4,730 3,731 4,734 1,740 4,743 6,745 7,746 11,750 1,758 1,759 1,760 1,761 1,764 28,765 5,766 3,767 5,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,827 23,833 10,834 3,835 1,837 1,847 2,852 1,854 10.833,855 8.533,856 5.278,857 3.393,858 1.335,859 1.197,860 0.967,861 6.592,862 8.114,863 3.401,864 3.795,865 4.186,866 4.573,867 4.975,868 4.839,869 4.974,870 5.134,871 5.251,872 4.855,873 1,874 29,875 8.553,877 3.484,878 7.384,879 17.192,881 14.083,883 1.884,884 43.333,885 0.001,887 1,888 294.278,889 71.434,890 70.818,892 11,895 71.434,896 305.277,897 70.818,899 23.201,900 91.937,902 36.214,903 1.899,904 294.278,906 294.278,907 142.252,908 11,911 200.109,912 105.169,915 94.019,916 48.233,919 294.278,920 81.818,921 71.434,924 294.278,925 33.529,926 37.905,927 54.032,928 27.785,929 294.278,930 81.818,931 71.434,933 0.548,934 0.307,935 0.166,936 0.091,937 13,938 4,939 0.151,940 8,941 1,942 1.125,943 3.904,944 161.51,945 0.125,946 16,947 104.042,951 16.593,952 9.138,953 5.396,955 81.818,956 8.378,961 2.407,963 54.032,964 447.529,965 29,973 4.405,974 0.971,975 50.338,976 58.185,977 0.248,978 0.547,979 0.758,980 0.882,981 0.924,982 0.931,983 4.59,984 1.208,985 5.416,986 3.01,987 4.143,988 4.477,989 1.778,990 6.075,991 4.043,992 5.671,993 1,994 6.864,995 2.544,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.043,1001 6.893,1002 0.742,1003 8.414,1004 2.136,1005 5.572,1006 6.384,1007 1.751,1008 9.734,1009 5.367,1010 8.149,1011 0.577,1012 10.032,1013 1.668,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.275,1019 9.447,1020 0.024,1021 11.697,1022 1.269,1023 7.266,1024 8.634,1025 1.914,1026 13.774,1027 6.958,1028 10.773,1029 -0.384,1030 13.395,1031 0.053,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.37,1037 12.122,1038 -0.618,1039 15.118,1040 -0.875,1041 9.124,1042 11.072,1043 2.184,1044 18.009,1045 8.722,1046 2.923,1047 -0.68,1048 16.86,1049 -1.464,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.418,1055 2.522,1056 9.226,1057 18.615,1058 -1.601,1059 11.087,1060 13.612,1061 2.527,1062 22.343,1063 10.6,1064 2.304,1065 6.965,1066 20.38,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.453,1073 1.807,1074 6.678,1075 22.155,1076 3.091,1077 13.116,1078 16.207,1079 2.917,1080 26.73,1081 12.551,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.487,1091 1.532,1092 3.668,1093 25.723,1094 2.077,1095 15.186,1096 18.834,1097 3.338,1098 31.143,1099 14.546,1100 1.414,1101 3.18,1102 27.515,1103 1.989,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 15.527,1109 7038,1110 9956,1111 17.564,1112 31.614,1113 35.489,1114 35.62,1115 35.447,1116 35.353,1117 35.34,1118 41.039,1119 6.093,1120 89.535,1121 33.6,1122 5.203,1123 5.256,1124 6.046,1125 4.977,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.805,1132 1.42,1133 1.425,1134 1.418,1135 1.414,1136 1.414,1137 1.642,1138 0.244,1139 3.581,1140 1.344,1141 3.984,1142 4.013,1143 3.914,1144 3.897,1145 4.862,1146 3.896,1147 3.831,1148 3.906,1149 3.727,1150 3.632,1151 4.75,1152 3.641,1153 3.7,1154 3.773,1155 3.556,1156 3.533,1157 4.388,1158 3.529,1159 3.555,1160 3.619,1161 3.404,1162 3.422,1163 4.203,1164 3.408,1165 3.33,1166 3.421,1167 3.155,1168 3.118,1169 4.009,1170 3.115,1171 3.124,1172 3.211,1173 2.948,1174 2.933,1175 3.82,1176 2.927,1177 2.941,1178 3.043,1179 2.796,1180 2.74,1181 3.752,1182 2.743,1183 2.923,1184 3.016,1185 2.703,1186 2.662,1187 3.624,1188 2.654,1189 0.169,1190 0.13,1191 0.247,1192 0.155,1193 0.117,1194 4.228,1195 0.153,1196 3.256,1197 0.051,1198 6.183,1199 0.369,1200 3.882,1201 0.112,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.805,1207 1.949,1208 1.925,1209 2.079,1210 2.064,1211 1.353,1212 2.069,1213 1.766,1214 1.694,1215 1.983,1216 1.995,1217 1.283,1218 1.992,1219 1.69,1220 1.62,1221 1.928,1222 1.889,1223 1.214,1224 1.908,1225 1.564,1226 1.506,1227 1.797,1228 1.736,1229 1.009,1230 1.761,1231 1.313,1232 1.225,1233 1.607,1234 1.562,1235 0.828,1236 1.585,1237 1.117,1238 1.037,1239 1.43,1240 1.363,1241 0.681,1242 1.391,1243 0.908,1244 0.834,1245 1.285,1246 1.223,1247 0.492,1248 1.251,1249 0.901,1250 0.788,1251 1.188,1252 1.17,1253 0.317,1254 1.186,1255 3.932,1257 5.165,1259 6.6,1261 8.131,1263 9.714,1271 10.659,1272 10.164,1273 6.04,1275 0.309,1280 29.122,1281 71.629,1282 158.3,1283 219.294,1284 255.294,1285 267.294,1286 269.294,1287 31.232,1288 6.779,1289 57.68,1290 57.68,1291 18,1292 11.857,1293 3,1294 2.322,1295 37.444,1296 106,1297 87,1298 0.166,1299 180.716,1300 314.21,1301 432.708,1302 8949,1304 15.744,1305 0.685,1306 0.601,1307 15.744,1308 13.813,1309 11.416,1310 0.457,1311 0.356,1312 8.779,1313 11.012,1314 8.654,1315 7.157,1316 11.416,1317 8.891,1318 9.333,1319 0.301,1320 0.201,1321 9.333,1322 6.235,1323 7.598,1324 0.2,1325 0.114,1326 7.598,1327 4.344,1328 6.105,1329 0.133,1330 0.066,1331 6.105,1332 3.02,1333 4.963,1334 0.089,1335 0.039,1336 4.963,1337 2.161,1338 0.279,1339 71.174,1340 0.239,1341 23.795,1342 0.411,1343 112,1344 264.379,1345 122.924,1346 252.943,1347 352.57,1348 242,1349 125,1350 259.983,1351 135.869,1352 259.001,1353 377.42,1354 247,1355 7.9} {0 CHEMBL431298,1 1.828,2 10.897,3 4.494,4 20.198,5 120.702,6 8.864,7 0.5,8 4.047,9 4.139,10 3.927,11 3.675,12 5.069,13 3.608,14 4.61,15 4.76,16 4.313,17 4.095,18 5.832,19 4.004,20 4.822,21 4.99,22 4.428,23 4.253,24 5.892,25 4.133,26 4.885,27 5.048,28 4.32,29 4.264,30 5.989,31 4.126,32 4.939,33 5.127,34 4.344,35 4.195,36 6.104,37 4.074,38 4.891,39 5.088,40 4.21,41 4.108,42 6.004,43 3.977,44 4.807,45 5.032,46 4.126,47 4.009,48 5.965,49 3.861,50 4.708,51 4.935,52 3.919,53 3.905,54 5.76,55 3.765,56 0.113,57 0.77,58 11.361,59 5.233,60 15.967,61 5.763,62 0.465,63 1.273,64 24.9,65 9.47,66 56.247,67 10.169,68 0.486,69 1.541,70 32.92,71 12.039,72 35.716,73 13.284,74 0.356,75 1.607,76 40.455,77 14.736,78 36.841,79 15.548,80 0.677,81 1.57,82 40.438,83 13.378,84 80.202,85 14.297,86 0.736,87 1.495,88 41.706,89 12.813,90 71.035,91 13.961,92 0.818,93 1.4,94 38.81,95 12.236,96 91.497,97 14.103,98 0.528,99 1.246,100 38.542,101 11.759,102 70.143,103 12.819,104 27,105 47,106 0.305,107 0.624,108 0.766,109 0.842,110 0.842,111 0.842,112 3.409,113 1.117,114 -3.47,115 -3.45,116 -3.29,119 39.2,120 1,124 1,125 4,140 6,141 2,142 4,150 1,151 1,169 5,171 1,172 2,174 2,176 2,178 10,181 1,182 7,184 1,186 3,189 10,193 9,195 1,197 2,199 3,203 6,206 1,208 3,211 7,214 2,215 2,218 1,220 2,222 6,225 2,226 4,230 1,231 2,233 6,237 4,244 4,249 4,252 2,256 3,259 1263,260 19.342,261 19.342,262 19.342,263 19.342,264 19.342,265 17.145,266 23.254,267 11.143,268 20.149,269 15.73,270 15.73,271 15.73,272 15.73,273 15.73,274 12.236,275 28.263,276 5.22,277 17.055,278 3.844,279 1.928,280 1.079,281 0.618,282 0.618,283 0.618,284 4.1,285 1,288 1,289 1,290 686,291 3.536,294 64.561,295 272.796,298 125.933,302 1.57,303 34.932,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 62.833,315 316,316 4.94,317 4.713,318 7.441,319 4.396,320 3.491,321 4.864,322 0.86,323 13.079,324 3.151,325 4.451,326 3.296,327 6.525,328 4.001,329 3.05,330 4.318,331 0.8,332 10.276,333 2.9,334 4.329,335 3.128,336 6.487,337 3.892,338 2.938,339 3.944,340 0.4,341 10.051,342 2.786,343 3.653,344 2.74,345 5.437,346 3.284,347 2.344,348 3.074,350 6.91,351 2.199,352 3.55,353 2.614,354 5.239,355 3.127,356 2.223,357 2.853,359 6.266,360 1.992,361 3.316,362 2.423,363 5.105,364 3.001,365 2.074,366 2.622,368 5.982,369 1.902,370 3.283,371 1.994,372 4.954,373 2.767,374 1.842,375 2.435,377 5.573,378 1.621,379 2.866,380 1.879,381 4.633,382 2.494,383 1.559,384 2.011,386 4.304,387 1.454,388 2.743,389 1.478,390 4.102,391 2.28,392 1.363,393 1.793,395 3.599,396 1.229,397 2.227,398 1.218,399 3.591,400 1.967,401 1,402 1.192,404 2.479,405 0.965,406 2.187,407 1.146,408 3.48,409 1.955,410 1,411 1.058,413 2.136,414 0.953,415 2,416 1.077,417 3.247,418 1.667,419 0.762,420 1,422 1.903,423 0.666,424 1.781,425 0.954,426 3.239,427 1.505,428 0.632,429 0.703,431 1.144,432 0.545,433 1.172,434 0.578,435 2.906,436 0.846,437 -0.063,438 -0.074,440 -0.137,441 -0.052,442 1.147,443 0.21,444 2.712,445 0.687,446 -0.17,447 -0.212,449 -0.384,450 -0.132,451 14.581,452 0.503,453 0.872,454 0.03,455 37.25,456 1.284,457 18.5,458 0.638,459 18.75,460 0.647,461 27.165,462 0.937,463 31.619,464 0.62,465 28.268,466 0.975,467 6.999,468 0.241,469 6.887,470 0.237,471 0.163,472 0.057,473 0.302,479 0.635,480 1.296,481 0.702,482 1.057,483 0.655,484 0.89,485 0.873,486 0.927,487 0.689,488 0.699,489 0.543,490 0.746,491 0.939,492 0.952,493 0.934,494 0.95,495 0.875,496 0.911,497 0.946,498 1.278,499 1.22,500 1.374,501 0.881,502 1.161,503 1.417,504 0.991,505 0.861,506 0.878,507 1.592,508 0.941,509 1.273,510 1.021,511 0.969,512 0.966,513 1.399,514 1.031,515 0.673,516 0.898,517 0.874,518 0.977,519 0.789,520 0.93,521 1.169,522 0.883,523 1.019,524 1.005,525 1.517,526 0.848,527 7,528 0.147,529 4,530 2.882,531 2.268,532 1.018,533 0.967,534 0.474,535 0.313,536 0.286,537 10399,538 31188,539 2.061,540 43.1,541 3,542 17,545 2,550 1.722,551 1.902,552 3.414,553 0.296,555 1,559 93.238,560 1.828,561 3.745,562 4.594,563 5.055,564 5.055,565 5.055,566 2.843,567 4.349,568 4.832,569 3.556,570 1443.77,571 8.426,572 19126.5,574 1,577 289.294,578 1.636,579 4.769,580 0.219,581 0.006,582 0.085,583 0.059,584 0.048,585 0.024,586 0.025,587 0.014,588 0.01,589 0.01,590 0.501,591 0.33,592 1,593 0.772,594 146.023,595 0.044,596 -0.128,597 0.129,598 -0.043,599 -0.138,600 0.031,601 0.075,602 0.182,603 0.144,604 0.242,605 0.254,606 0.163,607 -0.032,608 0.128,609 0.048,610 0.07,611 -0.033,612 0.045,613 -0.052,614 -0.23,615 -0.16,616 -0.241,617 0.054,618 -0.162,619 -0.174,620 -0.013,621 0.037,622 0.072,623 -0.134,624 -0.003,625 -0.079,626 -0.041,627 -0.04,628 -0.028,629 -0.134,630 -0.09,631 0.313,632 0.081,633 0.1,634 0.015,635 0.244,636 0.061,637 -0.104,638 0.078,639 0.003,640 0.052,641 -0.12,642 0.163,643 4.649,644 6.13,645 0.724,646 25.781,647 1.012,648 1.119,649 2.239,650 5.011,651 0.709,652 3.497,653 3.871,654 4.159,655 4.454,656 4.682,657 4.736,658 4.86,659 4.956,660 4.905,661 4.927,662 6.424,663 0.66,664 452.04,665 3.497,666 5.069,667 5.938,668 6.847,669 7.736,670 8.649,671 9.547,672 10.462,673 11.364,674 12.28,675 5.9,677 1,680 1,681 1,687 2,688 6,692 1,693 6,695 16,709 1,712 1,713 1,714 51,716 18,717 2,718 32,720 54,721 20,722 14,723 6,724 6,730 4,731 5,732 1,736 1,745 14,746 6,750 2,753 1,755 2,761 1,764 22,765 6,766 2,767 9,768 3,773 3,777 0.75,778 3,792 1,793 3,796 1,814 1,819 3,821 2,823 2,824 1,827 29,830 1,833 4,834 2,835 1,838 1,842 1,846 1,847 5.9,850 2,852 1,854 15.25,855 9.676,856 6.264,857 2.918,858 3.115,859 1.408,860 1.014,861 6.046,862 10.76,863 3.761,864 4.44,865 5.016,866 5.641,867 6.19,868 6.523,869 6.878,870 7.238,871 7.274,872 7.439,873 1,874 49,875 11.013,877 4.995,878 7.8,879 20.658,881 17.465,883 2.3,884 66.694,887 1,888 235.422,889 142.836,890 37.54,891 39.149,892 55.313,894 37.085,895 105.75,896 329.884,897 37.54,898 19.708,899 8.423,900 80.676,901 60.718,902 34.14,903 0.746,904 266.7,905 39.149,906 235.422,907 143.29,908 55.313,909 76.234,911 235.422,912 55.313,915 35.259,916 91.627,917 61.361,918 31.278,919 235.422,920 92.853,921 181.984,923 5.807,924 235.422,925 60.462,926 79.69,927 34.416,928 94.461,929 235.422,930 92.853,931 181.984,933 0.592,934 0.352,935 0.195,936 0.11,937 24,938 11,939 0.093,940 5,941 1,942 1.095,943 3.928,944 264.972,945 0.095,946 21,947 134.881,948 1,950 1,951 20.878,952 8.398,953 4.251,954 1.752,955 92.853,956 10.782,960 1.246,961 3.71,963 34.416,964 510.259,965 42,968 -3.732,970 26.261,975 51.6,976 57.059,977 0.322,978 0.66,979 0.81,980 0.891,981 0.891,982 0.891,983 5.03,984 1.559,985 5.974,986 5.573,987 4.554,988 5.127,989 1.324,990 6.866,991 4.401,992 6.288,993 1.363,994 7.59,995 4.304,996 4.369,997 5.301,998 0.325,999 8.087,1000 4.113,1001 7.659,1002 1,1003 9.318,1004 3.599,1005 6.267,1006 7.508,1007 0.958,1008 11.172,1009 5.97,1010 9.073,1011 1,1012 11.114,1013 2.479,1014 6.889,1015 8.488,1016 0.268,1017 13.217,1018 6.476,1019 10.523,1020 0.762,1021 12.956,1022 2.136,1023 8.321,1024 10.253,1025 0.736,1026 15.906,1027 7.863,1028 11.999,1029 0.632,1030 14.829,1031 1.903,1032 9.287,1033 11.563,1034 0.188,1035 18.26,1036 8.711,1037 13.496,1038 -0.063,1039 16.725,1040 1.144,1041 10.563,1042 13.183,1043 0.57,1044 20.842,1045 9.925,1046 3.491,1047 -0.17,1048 18.641,1049 -0.137,1050 11.676,1051 14.631,1052 0.125,1053 23.316,1054 10.923,1055 3.05,1056 13.079,1057 20.57,1058 -0.384,1059 12.905,1060 16.204,1061 0.439,1062 25.872,1063 12.072,1064 2.938,1065 10.276,1066 22.512,1067 4.864,1068 14.081,1069 17.713,1070 0.082,1071 28.395,1072 13.136,1073 2.344,1074 10.051,1075 24.463,1076 4.318,1077 15.3,1078 19.272,1079 0.334,1080 30.95,1081 14.263,1082 2.223,1083 6.91,1084 26.422,1085 3.944,1086 16.504,1087 20.809,1088 0.054,1089 33.495,1090 15.357,1091 2.074,1092 6.266,1093 28.387,1094 3.074,1095 17.726,1096 22.367,1097 0.252,1098 36.053,1099 16.478,1100 1.842,1101 5.982,1102 30.358,1103 2.853,1104 18.945,1105 23.919,1106 0.035,1107 38.609,1108 17.587,1109 9917,1110 17411,1111 20.978,1112 36.148,1113 48.528,1114 50.329,1115 50.586,1116 48.704,1117 48.557,1118 63.734,1119 4.12,1120 147.402,1121 44.728,1122 5.94,1123 6.713,1124 7.243,1125 5.571,1126 5.491,1127 7.864,1128 1.72,1129 21.164,1130 5.151,1131 15.259,1132 1.516,1133 1.573,1134 1.581,1135 1.522,1136 1.517,1137 1.992,1138 0.129,1139 4.606,1140 1.398,1141 4.166,1142 4.148,1143 4.796,1144 4.212,1145 7.717,1146 4.122,1147 3.964,1148 3.996,1149 4.198,1150 3.88,1151 6.999,1152 3.873,1153 3.797,1154 3.816,1155 3.892,1156 3.729,1157 4.973,1158 3.646,1159 3.671,1160 3.681,1161 3.752,1162 3.512,1163 4.859,1164 3.51,1165 3.336,1166 3.381,1167 3.571,1168 3.248,1169 4.513,1170 3.198,1171 3.229,1172 3.289,1173 3.091,1174 2.985,1175 4.418,1176 2.965,1177 3.111,1178 3.206,1179 3.075,1180 2.955,1181 4.352,1182 2.91,1183 2.995,1184 3.086,1185 2.913,1186 2.941,1187 3.981,1188 2.894,1189 0.154,1190 0.147,1191 0.233,1192 0.137,1193 0.109,1194 4.94,1195 0.152,1196 4.713,1197 0.027,1198 7.441,1199 0.409,1200 4.396,1201 0.098,1202 3.491,1203 4.864,1204 0.86,1205 13.079,1206 3.151,1207 1.938,1208 1.928,1209 2.025,1210 2.067,1211 1.278,1212 2.068,1213 1.918,1214 1.904,1215 1.981,1216 1.969,1217 1.176,1218 1.988,1219 1.74,1220 1.763,1221 1.879,1222 1.902,1223 1.076,1224 1.927,1225 1.648,1226 1.594,1227 1.675,1228 1.747,1229 0.955,1230 1.797,1231 1.288,1232 1.257,1233 1.571,1234 1.53,1235 0.825,1236 1.555,1237 1.175,1238 1.107,1239 1.513,1240 1.443,1241 0.597,1242 1.488,1243 1.153,1244 1.064,1245 1.218,1246 1.376,1247 0.558,1248 1.429,1249 0.95,1250 0.953,1251 1.198,1252 1.223,1253 0.367,1254 1.227,1255 4.174,1257 5.533,1258 2.398,1259 7.089,1260 4.844,1261 8.732,1262 7.05,1263 10.42,1265 3.431,1266 6.082,1271 3.427,1272 6.051,1273 5.489,1276 2.194,1280 33.678,1281 93.238,1282 190.971,1283 234.274,1284 257.784,1285 257.784,1286 257.784,1287 58.319,1288 7.644,1289 70.67,1290 107.29,1291 23,1292 12.794,1293 4.248,1294 3.459,1295 44.649,1296 113,1297 105,1298 0.195,1299 215.518,1300 365.54,1301 517.625,1302 21697,1303 2,1304 20.596,1305 0.71,1306 0.64,1307 21.699,1308 18.548,1309 13.886,1310 0.434,1311 0.372,1312 9.335,1313 11.984,1314 8.833,1315 7.296,1316 15.404,1317 11.918,1318 13.146,1319 0.28,1320 0.218,1321 15.487,1322 10.25,1323 10.932,1324 0.174,1325 0.135,1326 13.455,1327 8.497,1328 9.38,1329 0.11,1330 0.077,1331 11.851,1332 6.504,1333 7.617,1334 0.071,1335 0.046,1336 10.102,1337 4.906,1338 0.304,1339 102.357,1340 0.218,1341 27.248,1342 0.544,1343 158,1344 473.442,1345 254.311,1346 525.493,1347 706.32,1348 486,1349 189,1350 453.198,1351 287.034,1352 522.668,1353 768.86,1354 488,1355 6.6} {0 CHEMBL431866,1 1.432,2 14.667,3 4.4,4 19.36,5 133.149,6 6.84,7 0.432,8 4.263,9 4.393,10 3.77,11 3.796,12 5.256,13 3.762,14 4.839,15 5.03,16 4.129,17 4.223,18 5.771,19 4.162,20 5.09,21 5.308,22 4.148,23 4.388,24 5.961,25 4.281,26 5.191,27 5.435,28 4.053,29 4.384,30 6.075,31 4.243,32 5.173,33 5.456,34 4.014,35 4.306,36 5.997,37 4.164,38 5,39 5.234,40 4.008,41 4.264,42 5.846,43 4.146,44 5.032,45 5.277,46 3.919,47 4.244,48 5.905,49 4.1,50 5.006,51 5.284,52 3.782,53 4.118,54 5.805,55 3.962,56 0.055,57 0.958,58 14.849,59 6.02,60 9.887,61 8.417,62 0.358,63 1.589,64 28.113,65 10.149,66 28.047,67 14.554,68 0.276,69 1.933,70 36.407,71 13.665,72 30.01,73 19.602,74 0.338,75 2.02,76 41.131,77 15.184,78 51.538,79 21.866,80 0.43,81 1.92,82 41.323,83 14.844,84 53.794,85 21.795,86 0.241,87 1.747,88 33.443,89 12.483,90 30.915,91 18.139,92 0.411,93 1.774,94 34.922,95 12.636,96 44.759,97 18.662,98 0.287,99 1.621,100 34.694,101 12.585,102 38.351,103 18.456,104 11,105 52,106 0.227,107 0.593,108 0.811,109 0.878,110 0.878,111 0.878,112 3.531,113 0.957,114 -4.19,115 -4.13,116 -3.91,119 41.5,121 4,124 2,125 3,127 1,134 1,135 1,140 7,141 3,142 2,149 1,150 1,157 1,169 12,171 1,172 7,174 2,176 5,178 14,182 4,186 5,189 15,193 8,197 3,199 10,203 8,206 2,208 3,211 6,215 5,220 4,222 9,225 2,226 5,231 2,233 10,237 5,240 1,242 2,244 8,249 3,254 1,256 8,259 2013,260 22.695,261 22.695,262 22.695,263 22.695,264 22.695,265 20.491,266 27.718,267 13.186,268 23.19,269 18.185,270 18.185,271 18.185,272 18.185,273 18.185,274 14.738,275 32.61,276 6.181,277 18.864,278 4.59,279 2.283,280 0.91,281 0.485,282 0.485,283 0.485,284 4.24,289 1,290 1073,291 3.317,294 179.705,295 326.021,298 148.787,302 2.424,303 21.206,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70,315 484,316 4.572,317 3.695,318 6.578,319 4.123,320 3.135,321 4.516,322 1.706,323 10.485,324 3.098,325 4.152,326 3.239,327 6.146,328 3.857,329 2.893,330 3.653,331 0.86,332 9.044,333 2.799,334 4.066,335 3.043,336 6.041,337 3.751,338 2.799,339 3.559,340 0.8,341 8.652,342 2.664,343 3.863,344 2.898,345 5.991,346 3.654,347 2.68,348 3.104,349 0.728,350 8.495,351 2.595,352 3.81,353 2.858,354 5.464,355 3.506,356 2.545,357 2.889,358 0.167,359 7.259,360 2.435,361 3.429,362 2.438,363 5.115,364 3.082,365 2.144,366 2.684,368 6.262,369 2.006,370 3.337,371 2.283,372 5.105,373 2.94,374 1.959,375 2.607,377 5.923,378 1.918,379 3.095,380 2.111,381 4.491,382 2.623,383 1.633,384 2.277,386 4.514,387 1.609,388 2.712,389 1.606,390 4.207,391 2.318,392 1.344,393 1.788,395 3.67,396 1.306,397 2.506,398 1.454,399 4.014,400 2.187,401 1.222,402 1.5,404 3.256,405 1.172,406 2.5,407 1.388,408 3.937,409 2.105,410 1.127,411 1.429,413 2.974,414 1.098,415 2.334,416 1.233,417 3.417,418 2.046,419 1.065,420 1.304,422 2.383,423 1.042,424 2.137,425 1.16,426 3.414,427 2,428 1,429 1.12,431 2.275,432 1,433 2.079,434 1.14,435 3.414,436 1.984,437 1,438 1.04,440 2.275,441 0.983,442 2.018,443 1,444 3.254,445 1.619,446 0.659,447 0.89,449 1.605,450 0.631,451 15.767,452 0.478,453 0.742,454 0.022,455 39.75,456 1.205,457 18,458 0.545,459 21.75,460 0.659,461 30.796,462 0.933,463 35.833,464 0.551,465 30.042,466 0.91,467 7.774,468 0.236,469 8.328,470 0.252,471 0.085,473 0.336,479 0.855,480 1.386,481 0.862,482 1.132,483 0.605,484 1.013,485 1.013,486 1,487 0.953,488 0.904,489 0.584,490 0.912,491 0.985,492 1.116,493 1.074,494 1.103,495 0.83,496 1.095,497 1.027,498 1.124,499 1.102,500 1.137,501 1.292,502 1.131,503 0.787,504 0.847,505 0.811,506 0.83,507 1.183,508 0.827,509 0.856,510 1.153,511 1.012,512 1.09,513 0.891,514 1.07,515 0.697,516 1.121,517 1.116,518 1.15,519 0.655,520 1.166,521 0.779,522 1.002,523 0.92,524 1.02,525 0.941,526 0.991,527 6.5,528 0.125,529 4.222,530 1.799,531 1.448,532 1.174,533 0.646,534 0.392,535 0.39,536 0.202,537 18029,538 38942,539 2.15,540 49.2,542 21,543 1,545 2,547 8,550 1.748,551 2.041,552 3.801,553 0.132,559 93.072,560 1.432,561 3.739,562 5.112,563 5.538,564 5.538,565 5.538,566 3.253,567 4.741,568 5.012,569 4.002,570 2112.83,571 8.752,572 32926.3,577 391.454,578 1.301,579 4.989,580 0.176,581 0.004,582 0.081,583 0.035,584 0.033,585 0.027,586 0.015,587 0.01,588 0.012,589 0.007,590 0.399,591 0.33,592 0.88,593 0.62,594 178.438,595 -0.01,596 -0.168,597 0.072,598 -0.047,599 0.002,600 0.011,601 0.045,602 0.143,603 0.025,604 0.105,605 0.092,606 0.068,607 -0.099,608 -0.055,609 -0.113,610 -0.087,611 -0.014,612 -0.097,613 -0.088,614 -0.133,615 -0.129,616 -0.137,617 -0.071,618 -0.138,619 0.079,620 0.089,621 0.172,622 0.146,623 0.011,624 0.164,625 -0.053,626 -0.119,627 -0.053,628 -0.08,629 -0.049,630 -0.069,631 0.095,632 -0.088,633 -0.153,634 -0.161,635 0.078,636 -0.178,637 0.048,638 -0.06,639 0.056,640 -0.042,641 0.042,642 0.001,643 1.737,644 5.687,645 0.788,646 41.273,647 0.991,648 1.127,649 2.961,650 8.765,651 0.655,652 3.638,653 3.97,654 4.263,655 4.5,656 4.7,657 4.82,658 4.997,659 5.13,660 5.236,661 5.371,662 8.418,663 0.614,664 444.63,665 3.638,666 5.187,667 6.047,668 6.923,669 7.795,670 8.674,671 9.552,672 10.434,673 11.316,674 12.2,675 6.2,678 1,682 2,683 1,687 2,688 8,690 1,693 4,695 16,712 1,714 65,716 18,717 2,718 37,720 69,721 27,722 14,723 5,724 7,725 2,730 5,731 6,735 1,740 4,743 5,745 17,746 10,750 2,755 1,757 1,759 2,764 32,765 5,766 2,767 6,773 4,777 0.8,778 2,788 1,789 1,792 2,793 3,796 1,810 1,811 1,815 1,819 4,823 2,827 33,833 7,834 1,835 1,837 1,838 2,847 3.1,850 1,852 1,854 16.167,855 12.067,856 7.222,857 3.992,858 3.359,859 1.4,860 1.007,861 6.54,862 11.758,863 3.871,864 4.451,865 5.023,866 5.576,867 6.085,868 6.415,869 6.841,870 7.2,871 7.358,872 7.682,873 0.9,874 51,875 12.244,877 5.206,878 7.52,879 24.148,881 20.428,883 2.02,884 66.667,888 353.133,889 147.142,890 41.045,892 36.145,895 147.142,896 389.278,897 41.045,898 19.279,899 37.59,900 84.857,901 25.145,902 51.04,903 18.191,904 341.362,906 353.133,907 188.187,908 36.145,911 258.964,912 130.314,915 57.5,916 121.21,917 9.476,919 353.133,920 77.19,921 147.142,924 353.133,925 43.005,926 110.385,927 34.796,928 36.145,929 353.133,930 77.19,931 147.142,933 0.584,934 0.349,935 0.179,936 0.092,937 26,938 11,939 0.072,940 5,941 1,942 1.077,943 4.561,944 304.619,945 0.077,946 26,947 162.465,951 22.207,952 9.719,953 4.86,954 2.527,955 60.404,956 16.305,958 3.452,961 4.214,963 34.796,964 577.465,965 47,970 12.687,972 2.19,974 1.245,975 64.432,976 73.225,977 0.238,978 0.621,979 0.849,980 0.92,981 0.92,982 0.92,983 5.124,984 1.633,985 6.028,986 5.923,987 4.654,988 5.139,989 2.243,990 6.83,991 4.589,992 6.314,993 1.344,994 7.583,995 4.514,996 4.205,997 4.924,998 1.404,999 7.695,1000 4.104,1001 7.616,1002 1.222,1003 9.234,1004 3.67,1005 6.248,1006 7.307,1007 2.665,1008 10.765,1009 6.124,1010 8.952,1011 1.127,1012 10.94,1013 3.256,1014 6.635,1015 7.956,1016 2.512,1017 12.449,1018 6.476,1019 10.321,1020 1.065,1021 12.681,1022 2.974,1023 8.113,1024 9.809,1025 3.447,1026 15.015,1027 7.938,1028 11.712,1029 1,1030 14.446,1031 2.383,1032 8.874,1033 10.874,1034 3.634,1035 17.04,1036 8.671,1037 13.12,1038 1,1039 16.229,1040 2.275,1041 10.125,1042 12.514,1043 4.392,1044 19.433,1045 9.908,1046 3.135,1047 0.659,1048 18.024,1049 2.275,1050 11.062,1051 13.795,1052 4.744,1053 21.612,1054 10.823,1055 2.893,1056 10.485,1057 19.829,1058 1.605,1059 12.219,1060 15.345,1061 5.404,1062 23.947,1063 11.968,1064 2.799,1065 9.044,1066 21.642,1067 4.516,1068 13.241,1069 16.737,1070 5.84,1071 26.199,1072 12.973,1073 2.68,1074 8.652,1075 23.461,1076 3.653,1077 14.362,1078 18.253,1079 6.445,1080 28.519,1081 14.083,1082 2.545,1083 8.495,1084 25.286,1085 3.559,1086 15.426,1087 19.7,1088 6.926,1089 30.809,1090 15.134,1091 2.144,1092 7.259,1093 27.115,1094 3.104,1095 16.536,1096 21.205,1097 7.499,1098 33.129,1099 16.234,1100 1.959,1101 6.262,1102 28.949,1103 2.889,1104 17.622,1105 22.68,1106 8.004,1107 35.439,1108 17.311,1109 16699,1110 24712,1111 25.255,1112 42.591,1113 56.039,1114 57.054,1115 57.037,1116 55.504,1117 55.529,1118 69.975,1119 8.523,1120 159.96,1121 53.683,1122 5.514,1123 5.695,1124 6.131,1125 5.165,1126 5.135,1127 7.516,1128 2.981,1129 17.275,1130 5.098,1131 13.846,1132 1.515,1133 1.542,1134 1.542,1135 1.5,1136 1.501,1137 1.891,1138 0.23,1139 4.323,1140 1.451,1141 4.153,1142 4.187,1143 4.109,1144 4.077,1145 7.429,1146 4.081,1147 3.931,1148 3.965,1149 3.873,1150 3.83,1151 4.968,1152 3.835,1153 3.864,1154 3.925,1155 3.761,1156 3.736,1157 4.871,1158 3.734,1159 3.807,1160 3.858,1161 3.71,1162 3.666,1163 4.483,1164 3.668,1165 3.459,1166 3.502,1167 3.4,1168 3.296,1169 4.405,1170 3.306,1171 3.311,1172 3.366,1173 3.192,1174 3.085,1175 4.37,1176 3.114,1177 3.188,1178 3.255,1179 3.028,1180 2.956,1181 4.141,1182 2.96,1183 3.136,1184 3.246,1185 2.926,1186 2.899,1187 3.81,1188 2.878,1189 0.124,1190 0.1,1191 0.178,1192 0.111,1193 0.085,1194 4.572,1195 0.122,1196 3.695,1197 0.046,1198 6.578,1199 0.283,1200 4.123,1201 0.084,1202 3.135,1203 4.516,1204 1.706,1205 10.485,1206 3.098,1207 1.995,1208 1.973,1209 2.09,1210 2.08,1211 1.345,1212 2.084,1213 1.883,1214 1.858,1215 1.989,1216 2,1217 1.286,1218 1.997,1219 1.758,1220 1.712,1221 1.932,1222 1.906,1223 1.143,1224 1.914,1225 1.684,1226 1.628,1227 1.868,1228 1.871,1229 1.066,1230 1.872,1231 1.556,1232 1.48,1233 1.823,1234 1.767,1235 1.05,1236 1.795,1237 1.408,1238 1.336,1239 1.627,1240 1.635,1241 0.749,1242 1.637,1243 1.259,1244 1.214,1245 1.573,1246 1.558,1247 0.693,1248 1.554,1249 1.154,1250 1.086,1251 1.435,1252 1.425,1253 0.576,1254 1.418,1255 4.317,1257 5.645,1258 3.045,1259 7.16,1260 5.352,1261 8.753,1262 7.38,1263 10.388,1265 3.87,1271 7.048,1272 2.978,1273 5.176,1275 0.638,1276 4.335,1280 39.89,1281 93.072,1282 243.034,1283 332.293,1284 359.944,1285 359.944,1286 359.944,1287 48.113,1288 8.399,1289 60.6,1290 60.6,1291 28,1292 12.734,1293 4.248,1294 3.459,1295 48.166,1296 167,1297 187,1298 0.139,1299 241.62,1300 418.98,1301 581.312,1302 61343,1304 22.786,1305 0.69,1306 0.589,1307 22.786,1308 19.434,1309 16.102,1310 0.435,1311 0.319,1312 11.648,1313 15.54,1314 11.329,1315 9.38,1316 16.102,1317 11.801,1318 14.421,1319 0.277,1320 0.176,1321 14.421,1322 9.139,1323 12.784,1324 0.183,1325 0.101,1326 12.784,1327 7.103,1328 10.341,1329 0.116,1330 0.057,1331 10.341,1332 5.031,1333 8.006,1334 0.073,1335 0.03,1336 8.006,1337 3.307,1338 0.225,1339 100.4,1340 0.199,1341 31.297,1342 0.361,1343 178,1344 437.427,1345 191.53,1346 425.55,1347 593.15,1348 402,1349 211,1350 442.337,1351 224.81,1352 452.747,1353 660.68,1354 425,1355 9.377} {0 CHEMBL432332,1 1.437,2 14.032,3 4.751,4 22.576,5 123.943,6 7.078,7 0.6,8 4.173,9 4.308,10 3.713,11 3.725,12 5.186,13 3.692,14 4.746,15 4.935,16 4.055,17 4.158,18 5.688,19 4.094,20 5.037,21 5.275,22 4.021,23 4.308,24 5.9,25 4.183,26 5.121,27 5.391,28 3.983,29 4.299,30 5.917,31 4.15,32 5.109,33 5.391,34 3.977,35 4.21,36 6.011,37 4.079,38 4.991,39 5.259,40 3.89,41 4.127,42 5.894,43 4.006,44 4.926,45 5.201,46 3.823,47 4.047,48 5.793,49 3.914,50 4.837,51 5.119,52 3.647,53 3.93,54 5.717,55 3.795,56 0.06,57 0.974,58 12.884,59 5.44,60 11.198,61 7.493,62 0.226,63 1.625,64 24.627,65 9.376,66 21.383,67 13.053,68 0.361,69 1.994,70 34.874,71 13.345,72 40.565,73 18.666,74 0.239,75 2.029,76 38.557,77 14.748,78 35.583,79 21.168,80 0.463,81 2.11,82 39.752,83 14.057,84 59.934,85 19.645,86 0.384,87 1.895,88 34.89,89 12.163,90 52.23,91 16.878,92 0.377,93 1.714,94 32.428,95 11.26,96 41.486,97 16.32,98 0.361,99 1.57,100 30.14,101 9.883,102 44.854,103 14.14,104 2,105 48,106 0.232,107 0.564,108 0.751,109 0.832,110 0.84,111 0.84,112 3.471,113 0.951,114 -6.02,115 -5.87,116 -5.46,119 42.4,121 4,122 1,125 3,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 14,171 2,172 4,176 3,178 16,182 4,186 3,189 13,193 7,199 9,203 7,206 1,211 8,215 5,218 1,222 5,226 5,229 2,233 4,236 1,237 2,242 2,244 5,254 1,256 7,259 1699,260 21.532,261 21.532,262 21.532,263 21.532,264 21.532,265 19.093,266 20.304,267 12.936,268 21.928,269 17.352,270 17.352,271 17.352,272 17.352,273 17.352,274 13.79,275 16.525,276 6.235,277 18.017,278 4.446,279 2.387,280 1.225,281 0.725,282 0.678,283 0.678,284 4.184,288 1,289 1,290 977,291 3.162,294 162.723,295 312.098,298 138.113,302 2.229,303 21.291,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 66,315 435,316 4.571,317 3.242,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.131,326 3.034,327 6.098,328 3.726,329 2.773,330 3.732,332 8.897,333 2.694,334 3.941,335 2.887,336 5.636,337 3.691,338 2.73,339 3.457,341 7.838,342 2.587,343 3.673,344 2.799,345 5.462,346 3.492,347 2.538,348 2.847,350 7.325,351 2.411,352 3.473,353 2.582,354 5.201,355 3.238,356 2.267,357 2.671,359 6.394,360 2.192,361 3.288,362 2.129,363 4.987,364 2.986,365 2.017,366 2.591,368 5.887,369 1.947,370 3.213,371 2.026,372 4.642,373 2.755,374 1.807,375 2.328,377 4.842,378 1.706,379 2.934,380 1.787,381 4.506,382 2.653,383 1.703,384 2.04,386 4.646,387 1.605,388 2.788,389 1.498,390 4.072,391 2.409,392 1.413,393 1.868,395 3.308,396 1.406,397 2.681,398 1.286,399 3.591,400 2.203,401 1.236,402 1.738,404 3.035,405 1.192,406 2.5,407 1.077,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.383,416 1,417 3.34,418 1.984,419 1,420 1.33,422 2.145,423 0.983,424 2.118,425 0.975,426 3.247,427 1.882,428 0.921,429 1,431 2.136,432 0.883,433 2.075,434 0.703,435 3.208,436 1.583,437 0.629,438 0.927,440 1.545,441 0.598,442 2,443 0.618,444 3,445 1.518,446 0.618,447 0.893,449 1.372,450 0.556,451 14.786,452 0.477,453 0.602,454 0.019,455 38.25,456 1.234,457 18,458 0.581,459 20.25,460 0.653,461 28.03,462 0.904,463 33.214,464 0.563,465 26.212,466 0.846,467 7.318,468 0.236,469 7.924,470 0.256,471 0.019,473 0.291,474 1,479 0.649,480 1.192,481 0.803,482 1.088,483 0.525,484 0.989,485 0.969,486 1.039,487 1.001,488 1.019,489 0.802,490 1.011,491 1.007,492 1.005,493 1.104,494 1.096,495 1.075,496 1.115,497 0.682,498 1.03,499 0.92,500 1.092,501 0.659,502 1.053,503 1.235,504 1.075,505 0.939,506 0.96,507 1.504,508 0.928,509 1.437,510 1.141,511 1.065,512 1.007,513 1.623,514 0.995,515 0.899,516 1.031,517 0.943,518 1.029,519 0.981,520 1.003,521 1.364,522 1.003,523 1.105,524 0.943,525 1.368,526 0.977,527 5.5,528 0.111,529 2.667,530 1.444,531 1.272,532 0.761,533 0.586,534 0.333,535 0.224,536 0.188,537 15991,538 36433,539 2.2,540 47.5,541 3,542 15,543 1,544 2,545 1,547 6,550 1.731,551 2.138,552 3.76,553 -0.393,559 84.764,560 1.437,561 3.496,562 4.658,563 5.158,564 5.205,565 5.205,566 3.244,567 4.567,568 4.924,569 3.952,570 1837.61,571 8.569,572 27601.7,574 1,577 347.076,578 1.058,579 4.918,580 0.157,581 0.005,582 0.056,583 0.033,584 0.031,585 0.019,586 0.016,587 0.01,588 0.008,589 0.007,590 0.341,591 0.33,592 0.75,593 0.32,594 164.806,595 0.054,596 -0.097,597 0.073,598 -0.033,599 0.026,600 0.01,601 -0.051,602 0.041,603 -0.07,604 -0.009,605 -0.027,606 -0.036,607 -0.045,608 0.023,609 -0.143,610 -0.074,611 -0.056,612 -0.113,613 0.04,614 -0.147,615 0.037,616 -0.084,617 0.063,618 -0.036,619 0.05,620 -0.017,621 0.093,622 0.034,623 -0.002,624 0.061,625 -0.092,626 -0.04,627 -0.037,628 -0.018,629 -0.103,630 -0.02,631 0.121,632 -0.067,633 0.056,634 -0.058,635 0.032,636 -0.023,637 -0.117,638 0.028,639 -0.076,640 0.008,641 -0.081,642 -0.019,643 2.205,644 7.016,645 0.839,646 36.614,647 0.994,648 1.132,649 4.785,650 22.901,651 0.663,652 3.584,653 3.892,654 4.159,655 4.431,656 4.605,657 4.673,658 4.844,659 4.963,660 5.004,661 5.056,662 8.176,663 0.624,664 417.58,665 3.584,666 5.118,667 5.964,668 6.832,669 7.691,670 8.564,671 9.431,672 10.307,673 11.178,674 12.056,675 8.5,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 59,716 21,717 2,718 35,720 63,721 25,722 16,723 4,724 8,728 1,730 5,731 6,740 2,741 1,743 5,745 16,746 9,747 1,762 1,764 28,765 4,766 1,767 6,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 1,827 31,833 7,837 2,838 1,844 1,846 1,854 14.5,855 10.276,856 6.75,857 3.697,858 3.567,859 1.44,860 1.023,861 6.036,862 11.671,863 3.839,864 4.419,865 5.002,866 5.596,867 6.034,868 6.364,869 6.823,870 7.244,871 7.442,872 7.676,873 1,874 44,875 11.533,877 4.968,878 7.565,879 22.654,881 19.341,883 2.065,884 64,887 1,888 317.82,889 134.574,890 55.135,893 14.96,895 134.574,896 317.82,897 70.095,899 18.635,900 84.857,901 74.105,902 33.51,903 28.875,904 282.506,906 317.82,907 189.709,908 14.96,911 262.153,912 70.627,915 57.681,916 98.702,917 33.326,919 332.78,920 55.135,921 134.574,924 319.999,925 30.3,926 107.118,927 16.786,928 48.286,929 317.82,930 70.095,931 134.574,933 0.576,934 0.331,935 0.184,936 0.095,937 24,938 9,939 0.111,940 7,941 1,942 1.077,943 4.505,944 275.755,945 0.077,946 26,947 141.58,951 20.264,952 9.234,953 4.826,954 2.094,955 51.41,956 22.107,957 7.741,958 3.278,961 3.417,962 1.864,963 16.786,964 522.489,965 45.5,975 58.625,976 66.814,977 0.244,978 0.594,979 0.792,980 0.877,981 0.885,982 0.885,983 5.064,984 1.703,985 5.922,986 4.842,987 4.575,988 5.106,989 0.673,990 6.691,991 4.504,992 6.238,993 1.413,994 7.445,995 4.646,996 4.007,997 4.732,998 0.325,999 7.466,1000 3.887,1001 7.518,1002 1.236,1003 9.065,1004 3.308,1005 6.125,1006 7.268,1007 0.379,1008 10.563,1009 5.991,1010 8.834,1011 1,1012 10.744,1013 3.035,1014 6.415,1015 7.842,1016 0.268,1017 12.208,1018 6.237,1019 10.187,1020 1,1021 12.463,1022 2.275,1023 7.943,1024 9.773,1025 0.239,1026 14.789,1027 7.754,1028 11.567,1029 0.921,1030 14.209,1031 2.145,1032 8.641,1033 10.816,1034 0.188,1035 16.81,1036 8.417,1037 12.968,1038 0.629,1039 15.977,1040 2.136,1041 9.92,1042 12.492,1043 0.156,1044 19.216,1045 9.684,1046 3.126,1047 0.618,1048 17.761,1049 1.545,1050 10.822,1051 13.771,1052 0.125,1053 21.407,1054 10.56,1055 2.773,1056 10.462,1057 19.558,1058 1.372,1059 11.995,1060 15.338,1061 0.102,1062 23.756,1063 11.719,1064 2.73,1065 8.897,1066 21.366,1067 4.519,1068 13.001,1069 16.732,1070 0.082,1071 26.023,1072 12.704,1073 2.538,1074 7.838,1075 23.183,1076 3.732,1077 14.13,1078 18.256,1079 0.066,1080 28.357,1081 13.82,1082 2.267,1083 7.325,1084 25.007,1085 3.457,1086 15.189,1087 19.706,1088 0.054,1089 30.661,1090 14.862,1091 2.017,1092 6.394,1093 26.839,1094 2.847,1095 16.304,1096 21.214,1097 0.043,1098 32.993,1099 15.964,1100 1.807,1101 5.887,1102 28.676,1103 2.671,1104 17.391,1105 22.691,1106 0.035,1107 35.315,1108 17.035,1109 14554,1110 22178,1111 24.444,1112 39.103,1113 52.646,1114 52.139,1115 52.127,1116 52.109,1117 52.064,1118 67.429,1119 1.6,1120 145.491,1121 50.15,1122 5.571,1123 5.242,1124 6.374,1125 5.166,1126 5.126,1127 7.519,1128 1.2,1129 17.208,1130 5.068,1131 7.101,1132 1.504,1133 1.49,1134 1.489,1135 1.489,1136 1.488,1137 1.927,1138 0.046,1139 4.157,1140 1.433,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.19,1146 4.07,1147 3.963,1148 4.008,1149 3.873,1150 3.889,1151 5.135,1152 3.88,1153 3.837,1154 3.908,1155 3.792,1156 3.684,1157 4.925,1158 3.682,1159 3.801,1160 3.858,1161 3.701,1162 3.585,1163 4.752,1164 3.621,1165 3.557,1166 3.617,1167 3.443,1168 3.394,1169 4.318,1170 3.4,1171 3.303,1172 3.368,1173 3.203,1174 3.148,1175 4.251,1176 3.153,1177 3.17,1178 3.25,1179 3.027,1180 2.992,1181 3.879,1182 2.988,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.786,1188 2.91,1189 0.131,1190 0.093,1191 0.188,1192 0.117,1193 0.089,1194 4.571,1195 0.129,1196 3.242,1197 0.023,1198 6.572,1199 0.299,1200 4.106,1201 0.088,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.963,1208 1.937,1209 2.114,1210 2.075,1211 1.479,1212 2.09,1213 1.95,1214 1.916,1215 2.038,1216 2.048,1217 1.263,1218 2.046,1219 1.806,1220 1.752,1221 1.98,1222 1.95,1223 1.136,1224 1.963,1225 1.653,1226 1.602,1227 1.837,1228 1.822,1229 1.064,1230 1.83,1231 1.41,1232 1.339,1233 1.593,1234 1.667,1235 0.825,1236 1.644,1237 1.342,1238 1.28,1239 1.513,1240 1.542,1241 0.799,1242 1.544,1243 1.153,1244 1.073,1245 1.506,1246 1.442,1247 0.631,1248 1.429,1249 1.145,1250 1.064,1251 1.416,1252 1.376,1253 0.577,1254 1.386,1255 4.263,1257 5.572,1258 3.045,1259 7.064,1260 5.283,1261 8.637,1262 7.286,1263 10.256,1267 15.016,1271 6.352,1275 -0.162,1276 2.295,1280 36.812,1281 84.764,1282 206.267,1283 274.811,1284 304.321,1285 307.076,1286 307.076,1287 47.782,1288 8.104,1289 49.74,1290 49.74,1291 28,1292 12.595,1293 4.459,1294 3.524,1295 43.976,1296 153,1297 152,1298 0.137,1299 222.435,1300 372.97,1301 534.502,1302 44636,1303 1.7,1304 21.045,1305 0.679,1306 0.568,1307 20.175,1308 17.622,1309 15.242,1310 0.435,1311 0.317,1312 10.964,1313 14.716,1314 10.762,1315 8.864,1316 14.848,1317 11.098,1318 13.582,1319 0.283,1320 0.18,1321 12.936,1322 8.648,1323 11.467,1324 0.182,1325 0.102,1326 11.214,1327 6.44,1328 9.809,1329 0.118,1330 0.057,1331 9.414,1332 4.734,1333 7.575,1334 0.077,1335 0.034,1336 7.272,1337 3.392,1338 0.222,1339 94.961,1340 0.202,1341 29.869,1342 0.353,1343 166,1344 445.024,1345 178.934,1346 413.036,1347 568.89,1348 390,1349 194,1350 419.363,1351 207.637,1352 423.505,1353 614.17,1354 399,1355 9.046} {0 CHEMBL433108,1 1.517,2 14.765,3 4.079,4 16.637,5 132.955,6 7.26,7 0.553,8 4.259,9 4.396,10 3.812,11 3.771,12 5.298,13 3.751,14 4.842,15 5.039,16 4.203,17 4.195,18 5.974,19 4.157,20 5.119,21 5.349,22 4.168,23 4.363,24 6.099,25 4.265,26 5.224,27 5.484,28 4.177,29 4.389,30 6.117,31 4.267,32 5.282,33 5.561,34 4.198,35 4.318,36 6.315,37 4.217,38 5.169,39 5.443,40 4.076,41 4.228,42 6.193,43 4.126,44 5.057,45 5.331,46 4.015,47 4.159,48 5.991,49 4.047,50 5,51 5.272,52 3.868,53 4.061,54 5.982,55 3.95,56 0.044,57 1.134,58 13.682,59 5.754,60 15.053,61 7.853,62 0.465,63 1.989,64 27.461,65 9.542,66 63.924,67 13.305,68 0.601,69 2.288,70 38.22,71 13.707,72 62.228,73 18.675,74 0.278,75 2.375,76 42.762,77 15.782,78 49.192,79 22.404,80 0.753,81 2.627,82 48.67,83 15.748,84 103.099,85 21.464,86 0.775,87 2.319,88 43.403,89 13.639,90 92.142,91 18.651,92 0.512,93 1.978,94 37.371,95 12.346,96 55.725,97 17.997,98 0.48,99 1.917,100 35.873,101 11.393,102 72.906,103 15.835,104 10,105 54,106 0.241,107 0.55,108 0.709,109 0.801,110 0.817,111 0.837,112 3.56,113 0.931,114 -5.55,115 -5.42,116 -5.06,119 40.6,120 1,121 1,122 1,125 6,130 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 3,176 3,178 13,181 1,182 5,186 3,189 11,193 8,199 5,203 9,206 1,211 2,215 7,218 1,226 6,229 2,236 1,237 4,244 1,249 2,252 1,256 3,259 2214,260 23.032,261 23.032,262 23.032,263 23.032,264 23.032,265 20.618,266 24.983,267 13.585,268 23.62,269 18.812,270 18.812,271 18.812,272 18.812,273 18.812,274 15.269,275 25.958,276 6.518,277 19.829,278 4.483,279 2.541,280 1.54,281 0.961,282 0.856,283 0.731,284 4.266,289 1,290 1115,291 4,294 184.53,295 355.7,298 157.511,302 2.381,303 35.159,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 74,315 502,316 4.586,317 4.023,318 6.815,319 4.203,320 3.282,321 4.521,322 1.51,323 11.338,324 3.095,325 4.226,326 3.17,327 6.511,328 3.992,329 3.052,330 3.734,331 0.8,332 10.251,333 2.804,334 4.1,335 3.106,336 6.091,337 3.818,338 2.835,339 3.54,340 0.8,341 8.867,342 2.774,343 4.058,344 2.876,345 6.051,346 3.67,347 2.735,348 3.239,350 8.694,351 2.549,352 3.597,353 2.849,354 5.451,355 3.464,356 2.534,357 2.758,359 7.233,360 2.343,361 3.376,362 2.467,363 5.15,364 3.032,365 2.104,366 2.628,368 6.288,369 1.962,370 3.24,371 2.093,372 5.025,373 2.89,374 1.925,375 2.553,377 5.765,378 1.844,379 3.179,380 1.789,381 4.513,382 2.719,383 1.761,384 2.307,386 4.654,387 1.683,388 2.964,389 1.773,390 4.188,391 2.677,392 1.697,393 2.029,395 3.917,396 1.65,397 2.715,398 1.289,399 4.119,400 2.218,401 1.247,402 1.813,404 3.369,405 1.208,406 2.5,407 1.146,408 3.492,409 2.034,410 1.041,411 1.5,413 2.488,414 1.033,415 2.39,416 1.074,417 3.424,418 2,419 1,420 1.341,422 2.275,423 1,424 2.318,425 1,426 3.414,427 1.967,428 1,429 1.284,431 2.155,432 0.965,433 2.118,434 0.978,435 3.313,436 1.887,437 0.926,438 1,440 2.136,441 0.888,442 2.089,443 0.705,444 3.247,445 1.591,446 0.637,447 0.927,449 1.573,450 0.606,451 15.971,452 0.47,453 0.878,454 0.026,455 40.75,456 1.199,457 18,458 0.529,459 22.75,460 0.669,461 32.818,462 0.965,463 37.429,464 0.585,465 31.495,466 0.926,467 8.063,468 0.237,469 8.404,470 0.247,471 0.067,472 0.031,473 0.263,475 2,479 0.618,480 1.228,481 0.768,482 1.156,483 0.543,484 1.024,485 0.814,486 0.969,487 0.904,488 0.945,489 0.578,490 0.929,491 1.109,492 0.989,493 1.163,494 1.08,495 1.172,496 1.126,497 0.689,498 1.08,499 0.893,500 1.151,501 0.661,502 1.085,503 1.338,504 1.152,505 0.986,506 0.977,507 1.534,508 0.934,509 1.445,510 1.086,511 1.098,512 0.945,513 1.613,514 0.957,515 0.755,516 0.949,517 0.87,518 0.997,519 0.789,520 0.968,521 1.308,522 1.127,523 1.126,524 1.041,525 1.334,526 1.046,527 7.5,528 0.161,529 3.778,530 2.194,531 1.827,532 1.236,533 0.731,534 0.485,535 0.368,536 0.278,537 19778,538 48436,539 2.138,540 46.9,541 3,542 20,543 1,544 2,545 1,547 1,548 2,550 1.755,551 2.03,552 3.818,553 -0.363,559 97.072,560 1.517,561 3.459,562 4.46,563 5.039,564 5.144,565 5.269,566 3.268,567 4.676,568 5.058,569 4.024,570 2257.46,571 8.842,572 36092.4,577 384,578 1.396,579 5.027,580 0.197,581 0.006,582 0.07,583 0.044,584 0.037,585 0.026,586 0.017,587 0.012,588 0.011,589 0.008,590 0.428,591 0.33,592 0.63,593 0.459,594 185.661,595 0.019,596 -0.158,597 0.068,598 -0.075,599 -0.033,600 -0.013,601 0.1,602 0.101,603 0.021,604 0.057,605 0.199,606 0.036,607 -0.064,608 0.095,609 -0.199,610 -0.053,611 -0.094,612 -0.134,613 0.034,614 -0.202,615 0.05,616 -0.135,617 0.054,618 -0.06,619 -0.001,620 -0.05,621 0.071,622 0.013,623 -0.04,624 0.045,625 -0.067,626 0.045,627 -0.041,628 0.036,629 -0.109,630 0.009,631 0.121,632 -0.047,633 0.112,634 -0.025,635 0.046,636 0.024,637 -0.122,638 -0.085,639 -0.1,640 -0.075,641 -0.092,642 -0.079,643 4.054,644 7.108,645 0.765,646 42.668,647 1.002,648 1.142,649 4.317,650 18.633,651 0.653,652 3.664,653 4.007,654 4.248,655 4.522,656 4.691,657 4.762,658 4.949,659 5.043,660 5.1,661 5.159,662 8.582,663 0.621,664 464.62,665 3.664,666 5.22,667 6.066,668 6.952,669 7.812,670 8.7,671 9.567,672 10.456,673 11.329,674 12.219,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 38,720 68,721 26,722 16,723 4,724 8,730 5,731 6,736 1,738 1,743 2,745 16,746 10,747 1,762 2,764 30,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 2,827 34,833 7,837 1,838 2,839 1,844 1,846 2,854 16.75,855 11.536,856 7.278,857 3.896,858 3.492,859 1.424,860 1.011,861 6.667,862 11.719,863 3.902,864 4.489,865 5.048,866 5.634,867 6.069,868 6.402,869 6.865,870 7.264,871 7.481,872 7.728,873 0.9,874 50,875 12.795,877 5.676,878 7.733,879 24.45,881 20.682,883 2.233,884 75.917,888 341.362,889 141.758,890 58.259,893 29.92,895 141.758,896 341.362,897 88.179,898 8.825,899 15.169,900 84.857,901 74.105,902 68.378,903 13.915,904 306.049,906 341.362,907 200.017,908 29.92,911 306.049,912 65.234,914 1.824,915 66.164,916 98.702,917 33.326,919 371.282,920 58.259,921 141.758,924 343.186,925 29.014,926 119.068,927 16.786,928 63.246,929 341.362,930 88.179,931 141.758,933 0.587,934 0.332,935 0.18,936 0.093,937 27,938 11,939 0.118,940 8,941 1,942 1.077,943 4.641,944 315.802,945 0.077,946 26,947 158.974,951 23.01,952 9.851,953 5.505,954 1.661,955 69.495,956 21.106,957 7.651,958 3.13,961 2.801,962 1.77,963 16.786,964 571.299,965 48.5,975 64.123,976 73.067,977 0.253,978 0.577,979 0.743,980 0.84,981 0.857,982 0.878,983 5.155,984 1.761,985 6.071,986 5.765,987 4.691,988 5.176,989 2.012,990 6.893,991 4.589,992 6.354,993 1.697,994 7.636,995 4.654,996 4.369,997 4.924,998 0.57,999 7.953,1000 4.146,1001 7.659,1002 1.247,1003 9.306,1004 3.917,1005 6.337,1006 7.343,1007 2.511,1008 10.965,1009 6.12,1010 8.999,1011 1.041,1012 11.039,1013 3.369,1014 6.836,1015 7.968,1016 0.479,1017 12.833,1018 6.5,1019 10.372,1020 1,1021 12.813,1022 2.488,1023 8.283,1024 9.844,1025 3.229,1026 15.402,1027 7.94,1028 11.769,1029 1,1030 14.614,1031 2.275,1032 9.137,1033 10.899,1034 0.346,1035 17.579,1036 8.692,1037 13.184,1038 0.926,1039 16.434,1040 2.155,1041 10.391,1042 12.549,1043 4.014,1044 20.018,1045 9.92,1046 3.282,1047 0.637,1048 18.268,1049 2.136,1050 11.405,1051 13.826,1052 0.237,1053 22.321,1054 10.849,1055 3.052,1056 11.338,1057 20.113,1058 1.573,1059 12.587,1060 15.38,1061 4.824,1062 24.724,1063 11.989,1064 2.835,1065 10.251,1066 21.967,1067 4.521,1068 13.675,1069 16.769,1070 0.158,1071 27.081,1072 13.003,1073 2.735,1074 8.867,1075 23.827,1076 3.734,1077 14.833,1078 18.286,1079 5.643,1080 29.478,1081 14.112,1082 2.534,1083 8.694,1084 25.693,1085 3.54,1086 15.957,1087 19.732,1088 0.104,1089 31.861,1090 15.168,1091 2.104,1092 7.233,1093 27.565,1094 3.239,1095 17.11,1096 21.236,1097 6.464,1098 34.261,1099 16.266,1100 1.925,1101 6.288,1102 29.44,1103 2.758,1104 18.252,1105 22.71,1106 0.068,1107 36.657,1108 17.345,1109 18196,1110 28748,1111 25.83,1112 41.807,1113 58.073,1114 57.039,1115 57.313,1116 57.368,1117 57.194,1118 72.578,1119 6.22,1120 165.783,1121 54.299,1122 5.586,1123 6.023,1124 6.617,1125 5.271,1126 5.282,1127 7.521,1128 3.02,1129 18.375,1130 5.095,1131 13.243,1132 1.528,1133 1.501,1134 1.508,1135 1.51,1136 1.505,1137 1.91,1138 0.164,1139 4.363,1140 1.429,1141 4.156,1142 4.194,1143 4.117,1144 4.062,1145 8.358,1146 4.071,1147 3.958,1148 4.005,1149 3.875,1150 3.884,1151 7.999,1152 3.876,1153 3.847,1154 3.914,1155 3.797,1156 3.652,1157 5.135,1158 3.667,1159 3.812,1160 3.881,1161 3.728,1162 3.579,1163 4.924,1164 3.616,1165 3.589,1166 3.649,1167 3.512,1168 3.399,1169 4.756,1170 3.412,1171 3.435,1172 3.504,1173 3.286,1174 3.29,1175 4.367,1176 3.282,1177 3.278,1178 3.344,1179 3.186,1180 3.097,1181 4.251,1182 3.11,1183 3.111,1184 3.206,1185 2.873,1186 2.941,1187 4.05,1188 2.91,1189 0.121,1190 0.106,1191 0.179,1192 0.111,1193 0.086,1194 4.586,1195 0.119,1196 4.023,1197 0.04,1198 6.815,1199 0.298,1200 4.203,1201 0.081,1202 3.282,1203 4.521,1204 1.51,1205 11.338,1206 3.095,1207 1.96,1208 1.936,1209 2.084,1210 2.069,1211 1.369,1212 2.073,1213 1.941,1214 1.909,1215 2.036,1216 2.048,1217 1.252,1218 2.046,1219 1.791,1220 1.726,1221 1.978,1222 1.978,1223 1.201,1224 1.986,1225 1.638,1226 1.586,1227 1.808,1228 1.83,1229 1.027,1230 1.824,1231 1.485,1232 1.419,1233 1.743,1234 1.686,1235 0.902,1236 1.699,1237 1.396,1238 1.328,1239 1.546,1240 1.639,1241 0.825,1242 1.626,1243 1.27,1244 1.206,1245 1.513,1246 1.501,1247 0.698,1248 1.498,1249 1.153,1250 1.064,1251 1.469,1252 1.442,1253 0.58,1254 1.429,1255 4.344,1257 5.68,1258 3.045,1259 7.194,1260 5.283,1261 8.785,1262 7.286,1263 10.417,1265 2.228,1267 30.215,1271 3.436,1275 0.43,1276 4.291,1277 -2.804,1280 39.743,1281 97.072,1282 221.378,1283 285.471,1284 322.49,1285 329.245,1286 337.245,1287 64.352,1288 8.227,1289 52.98,1290 52.98,1291 28,1292 12.751,1293 4.459,1294 3.524,1295 50.342,1296 175,1297 176,1298 0.136,1299 240.02,1300 407.34,1301 577.409,1302 51788,1303 3.1,1304 23.545,1305 0.693,1306 0.57,1307 21.753,1308 19.37,1309 16.466,1310 0.433,1311 0.31,1312 11.605,1313 15.754,1314 11.354,1315 9.343,1316 15.759,1317 11.793,1318 15.449,1319 0.286,1320 0.173,1321 13.808,1322 9.334,1323 12.451,1324 0.18,1325 0.098,1326 11.982,1327 6.737,1328 10.658,1329 0.117,1330 0.054,1331 9.941,1332 4.873,1333 8.139,1334 0.075,1335 0.031,1336 7.584,1337 3.353,1338 0.221,1339 103.551,1340 0.197,1341 32.117,1342 0.354,1343 184,1344 568.781,1345 205.852,1346 503.946,1347 680.45,1348 472,1349 215,1350 497.143,1351 235.694,1352 493.125,1353 722,1354 463,1355 7.796} {0 CHEMBL434125,1 1.401,2 15,3 3.292,4 10.837,5 133.403,6 6.722,7 0.568,8 4.276,9 4.413,10 3.765,11 3.807,12 5.26,13 3.768,14 4.842,15 5.034,16 4.094,17 4.234,18 5.731,19 4.161,20 5.139,21 5.388,22 4.096,23 4.387,24 5.931,25 4.259,26 5.223,27 5.488,28 4.043,29 4.41,30 5.985,31 4.255,32 5.252,33 5.533,34 4.006,35 4.378,36 5.997,37 4.213,38 5.204,39 5.485,40 3.959,41 4.313,42 5.976,43 4.157,44 5.119,45 5.399,46 3.865,47 4.236,48 5.88,49 4.072,50 5.021,51 5.315,52 3.673,53 4.123,54 5.698,55 3.94,56 0.081,57 0.996,58 15.426,59 5.973,60 12.08,61 8.602,62 0.248,63 1.649,64 28.226,65 10.009,66 23.498,67 14.801,68 0.354,69 2.016,70 38.84,71 13.914,72 35.06,73 20.807,74 0.341,75 2.102,76 42.461,77 15.596,78 39.778,79 23.095,80 0.348,81 2.066,82 44.128,83 16.339,84 42.008,85 24.021,86 0.413,87 1.969,88 42.496,89 14.845,90 44.499,91 21.975,92 0.414,93 1.837,94 38.892,95 13.608,96 42.807,97 20.356,98 0.317,99 1.672,100 35.135,101 12.189,102 28.823,103 18.579,104 3,105 50,106 0.221,107 0.578,108 0.776,109 0.849,110 0.869,111 0.869,112 3.531,113 0.975,114 -3.92,115 -3.88,116 -3.68,119 40.9,121 4,125 4,127 2,140 8,141 3,142 1,143 1,149 2,150 1,158 1,169 11,171 1,172 5,176 6,178 12,182 3,185 1,186 6,189 8,193 4,195 1,197 5,199 7,203 4,206 1,208 5,211 8,215 4,218 1,220 2,222 7,226 4,229 2,231 1,233 4,236 1,237 4,242 3,244 3,249 1,254 2,256 5,259 1949,260 23.162,261 23.162,262 23.162,263 23.162,264 23.162,265 20.748,266 28.49,267 13.914,268 23.588,269 18.251,270 18.251,271 18.251,272 18.251,273 18.251,274 14.699,275 40.116,276 6.552,277 18.958,278 4.643,279 2.388,280 1.129,281 0.671,282 0.545,283 0.545,284 4.244,289 1,290 1102,291 3.464,294 180.166,295 343.49,298 153.987,302 2.303,303 17.393,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 69.5,315 495,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.8,323 10.431,324 3.062,325 4.129,326 3.181,327 6.157,328 3.85,329 2.876,330 3.731,331 0.657,332 9.114,333 2.803,334 4.082,335 2.893,336 6.095,337 3.691,338 2.753,339 3.55,341 8.884,342 2.582,343 3.649,344 2.858,345 5.478,346 3.556,347 2.603,348 2.813,350 7.335,351 2.483,352 3.433,353 2.393,354 5.15,355 3.15,356 2.197,357 2.674,359 6.375,360 2.089,361 3.286,362 2.18,363 5.109,364 2.999,365 2.023,366 2.591,368 5.994,369 1.964,370 3.244,371 1.896,372 4.514,373 2.763,374 1.786,375 2.393,377 4.655,378 1.744,379 3.029,380 1.794,381 4.375,382 2.726,383 1.77,384 2.108,386 4.272,387 1.685,388 2.742,389 1.37,390 4.133,391 2.313,392 1.329,393 1.847,395 3.48,396 1.307,397 2.5,398 1.346,399 3.501,400 2.144,401 1.168,402 1.5,404 2.652,405 1.136,406 2.478,407 1.169,408 3.457,409 2.074,410 1.112,411 1.473,413 2.5,414 1.067,415 2.421,416 1.077,417 3.414,418 2,419 1,420 1.393,422 2.275,423 1,424 2.252,425 1,426 3.316,427 1.984,428 1,429 1.193,431 2.136,432 0.983,433 2.118,434 0.952,435 3.247,436 1.842,437 0.895,438 1,440 2.096,441 0.845,442 2,443 0.855,444 3.177,445 1.562,446 0.618,447 0.927,449 1.468,450 0.58,451 15.833,452 0.48,453 0.547,454 0.017,455 39.75,456 1.205,457 18,458 0.545,459 21.75,460 0.659,461 30.952,462 0.938,463 35.767,464 0.542,465 27.713,466 0.84,467 7.662,468 0.232,469 8.635,470 0.262,471 0.021,473 0.272,479 1.046,480 1.389,481 0.905,482 1.101,483 0.937,484 1.006,485 1.201,486 1.17,487 1.073,488 1.041,489 0.92,490 1.038,491 0.919,492 1.039,493 1.043,494 1.028,495 0.667,496 1.039,497 0.865,498 1.018,499 1.038,500 1.074,501 0.762,502 1.071,503 0.857,504 0.988,505 0.925,506 1.024,507 0.988,508 0.994,509 1.185,510 0.93,511 0.984,512 0.945,513 1.326,514 0.951,515 0.999,516 0.988,517 1.007,518 0.987,519 1.114,520 1.002,521 0.815,522 0.948,523 1.04,524 1.002,525 0.618,526 1.029,527 5,528 0.095,529 3.333,530 1.319,531 1.197,532 0.882,533 0.505,534 0.301,535 0.208,536 0.148,537 19361,538 41923,539 2.187,540 50,541 2,542 18,543 2,544 2,545 3,547 2,548 4,550 1.745,551 2.129,552 3.842,553 0.772,559 92.473,560 1.401,561 3.657,562 4.915,563 5.374,564 5.499,565 5.499,566 3.268,567 4.56,568 5.019,569 4.057,570 2141.96,571 8.745,572 34639.4,577 398.93,578 1.027,579 5.01,580 0.135,581 0.004,582 0.067,583 0.027,584 0.027,585 0.021,586 0.013,587 0.008,588 0.007,589 0.006,590 0.315,591 0.33,592 0.88,593 0.459,594 180.281,595 -0.044,596 -0.16,597 0.061,598 -0.012,599 -0.031,600 0.025,601 -0.123,602 -0.007,603 -0.088,604 -0.022,605 -0.081,606 -0.048,607 -0.033,608 -0.003,609 -0.068,610 -0.03,611 0.041,612 -0.047,613 -0.025,614 -0.035,615 -0.068,616 -0.076,617 0.02,618 -0.075,619 0.048,620 -0.067,621 0.051,622 -0.028,623 0.041,624 0.004,625 -0.049,626 0.004,627 0.014,628 0.027,629 -0.061,630 0.025,631 0.021,632 -0.04,633 -0.018,634 -0.015,635 -0.068,636 -0.023,637 -0.034,638 0.011,639 -0.065,640 -0.042,641 -0.057,642 -0.052,643 1.364,644 3.835,645 0.788,646 39.824,647 0.988,648 1.129,649 2.693,650 7.25,651 0.654,652 3.638,653 3.932,654 4.22,655 4.466,656 4.635,657 4.691,658 4.828,659 4.949,660 4.984,661 5.011,662 8.875,663 0.609,664 443.65,665 3.638,666 5.165,667 6.014,668 6.876,669 7.738,670 8.606,671 9.474,672 10.344,673 11.215,674 12.088,675 7.6,677 1,678 1,683 2,685 1,687 2,688 12,689 1,690 1,693 3,694 1,695 21,714 66,716 21,717 2,718 37,720 70,721 27,722 17,723 4,724 8,730 5,731 6,736 1,740 3,743 6,745 17,746 10,764 33,765 4,766 3,767 6,770 1,773 5,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,827 33,832 1,833 8,834 1,837 2,838 1,847 1.5,848 1,854 15.5,855 11.217,856 7.361,857 4.112,858 3.505,859 1.427,860 0.99,861 7.104,862 11.718,863 3.882,864 4.443,865 5.035,866 5.613,867 6.043,868 6.365,869 6.808,870 7.214,871 7.398,872 7.612,873 0.9,874 48,875 12.228,877 5.171,878 7.47,879 24.287,881 20.587,883 1.97,884 65,888 353.133,889 141.871,890 56.605,892 42.683,895 141.871,896 395.816,897 56.605,899 16.455,900 154.599,901 48.946,902 42.557,903 25.686,904 306.049,906 353.133,907 198.476,908 42.683,911 282.506,912 70.627,913 42.683,915 73.941,916 107.75,917 16.786,919 353.133,920 99.289,921 141.871,924 353.133,925 30.3,926 116.594,927 34.796,928 59.469,929 353.133,930 99.289,931 141.871,933 0.569,934 0.339,935 0.187,936 0.095,937 24,938 9,939 0.129,940 9,941 1,942 1.077,943 4.689,944 295.522,945 0.077,946 26,947 158.465,951 22.207,952 10.556,953 5.323,954 2.498,955 80.604,956 24.604,957 4.164,958 3.425,961 3.696,962 2.049,963 77.48,964 594.293,965 47.5,975 65.207,976 74.514,977 0.232,978 0.605,979 0.813,980 0.889,981 0.91,982 0.91,983 5.101,984 1.77,985 5.964,986 4.655,987 4.615,988 5.13,989 1.038,990 6.737,991 4.543,992 6.265,993 1.329,994 7.492,995 4.272,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.899,1001 7.543,1002 1.168,1003 9.121,1004 3.48,1005 6.168,1006 7.285,1007 0.607,1008 10.646,1009 6.029,1010 8.86,1011 1.112,1012 10.812,1013 2.652,1014 6.463,1015 7.862,1016 0.268,1017 12.338,1018 6.289,1019 10.216,1020 1,1021 12.545,1022 2.5,1023 8,1024 9.79,1025 0.359,1026 14.906,1027 7.805,1028 11.599,1029 1,1030 14.306,1031 2.275,1032 8.712,1033 10.837,1034 0.188,1035 16.949,1036 8.488,1037 13.003,1038 0.895,1039 16.088,1040 2.136,1041 9.993,1042 12.509,1043 0.214,1044 19.344,1045 9.75,1046 3.118,1047 0.618,1048 17.884,1049 2.096,1050 10.907,1051 13.788,1052 0.125,1053 21.537,1054 10.64,1055 2.876,1056 10.431,1057 19.691,1058 1.468,1059 12.079,1060 15.352,1061 0.129,1062 23.874,1063 11.795,1064 2.753,1065 9.114,1066 21.507,1067 4.518,1068 13.09,1069 16.745,1070 0.082,1071 26.134,1072 12.788,1073 2.603,1074 8.884,1075 23.331,1076 3.731,1077 14.218,1078 18.267,1079 0.079,1080 28.455,1081 13.9,1082 2.197,1083 7.335,1084 25.16,1085 3.55,1086 15.278,1087 19.715,1088 0.054,1089 30.747,1090 14.943,1091 2.023,1092 6.375,1093 26.994,1094 2.813,1095 16.391,1096 21.221,1097 0.048,1098 33.066,1099 16.041,1100 1.786,1101 5.994,1102 28.833,1103 2.674,1104 17.476,1105 22.697,1106 0.035,1107 35.375,1108 17.111,1109 17730,1110 26219,1111 25.83,1112 43.143,1113 55.018,1114 54.806,1115 55.258,1116 54.462,1117 54.509,1118 69.885,1119 2.915,1120 151.509,1121 52.515,1122 5.568,1123 5.197,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.457,1129 17.095,1130 5.062,1131 8.022,1132 1.487,1133 1.481,1134 1.493,1135 1.472,1136 1.473,1137 1.889,1138 0.079,1139 4.095,1140 1.419,1141 4.157,1142 4.194,1143 4.115,1144 4.065,1145 6.456,1146 4.073,1147 3.958,1148 4.005,1149 3.876,1150 3.874,1151 5.032,1152 3.869,1153 3.864,1154 3.926,1155 3.808,1156 3.704,1157 4.876,1158 3.706,1159 3.833,1160 3.889,1161 3.724,1162 3.659,1163 4.754,1164 3.682,1165 3.558,1166 3.625,1167 3.418,1168 3.418,1169 4.385,1170 3.408,1171 3.433,1172 3.492,1173 3.298,1174 3.259,1175 4.239,1176 3.261,1177 3.289,1178 3.353,1179 3.166,1180 3.138,1181 4.075,1182 3.135,1183 3.111,1184 3.206,1185 2.907,1186 2.941,1187 3.869,1188 2.91,1189 0.123,1190 0.086,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.197,1197 0.022,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.8,1205 10.431,1206 3.062,1207 1.962,1208 1.937,1209 2.083,1210 2.071,1211 1.431,1212 2.078,1213 1.932,1214 1.899,1215 2.044,1216 2.048,1217 1.281,1218 2.047,1219 1.832,1220 1.772,1221 2.011,1222 1.98,1223 1.189,1224 1.994,1225 1.664,1226 1.608,1227 1.873,1228 1.83,1229 1.115,1230 1.847,1231 1.441,1232 1.375,1233 1.66,1234 1.684,1235 0.838,1236 1.674,1237 1.418,1238 1.36,1239 1.59,1240 1.641,1241 0.825,1242 1.635,1243 1.324,1244 1.259,1245 1.542,1246 1.531,1247 0.749,1248 1.538,1249 1.267,1250 1.197,1251 1.513,1252 1.505,1253 0.634,1254 1.494,1255 4.317,1257 5.617,1258 3.045,1259 7.107,1260 5.283,1261 8.683,1262 7.286,1263 10.303,1270 9.835,1271 7.984,1272 3.671,1275 0.491,1276 2.584,1280 40.197,1281 92.473,1282 241.342,1283 324.401,1284 354.665,1285 362.93,1286 362.93,1287 46.637,1288 8.213,1289 69.11,1290 69.11,1291 28,1292 12.63,1293 4.459,1294 3.524,1295 48.289,1296 181,1297 152,1298 0.128,1299 244.418,1300 410.29,1301 588.14,1302 52275,1304 22.46,1305 0.681,1306 0.577,1307 22.46,1308 19.029,1309 16.297,1310 0.44,1311 0.325,1312 11.892,1313 15.807,1314 11.677,1315 9.635,1316 16.297,1317 12.025,1318 13.999,1319 0.28,1320 0.181,1321 13.999,1322 9.046,1323 12.299,1324 0.184,1325 0.103,1326 12.299,1327 6.883,1328 10.246,1329 0.119,1330 0.058,1331 10.246,1332 4.986,1333 7.917,1334 0.078,1335 0.034,1336 7.917,1337 3.486,1338 0.21,1339 101.04,1340 0.197,1341 31.603,1342 0.325,1343 174,1344 393.751,1345 185.153,1346 389.713,1347 547.63,1348 370,1349 204,1350 408.924,1351 216.403,1352 418.423,1353 610.54,1354 396,1355 9.126} {0 CHEMBL434315,1 1.459,2 14.226,3 3.21,4 10.307,5 125.343,6 6.862,7 0.571,8 4.212,9 4.35,10 3.731,11 3.706,12 5.201,13 3.681,14 4.788,15 4.991,16 4.062,17 4.132,18 5.662,19 4.078,20 5.032,21 5.27,22 3.996,23 4.282,24 5.783,25 4.158,26 5.161,27 5.431,28 3.959,29 4.332,30 5.867,31 4.171,32 5.194,33 5.489,34 3.89,35 4.272,36 5.862,37 4.1,38 5.082,39 5.374,40 3.847,41 4.163,42 5.779,43 4.016,44 4.924,45 5.184,46 3.783,47 4.082,48 5.691,49 3.938,50 4.912,51 5.21,52 3.575,53 3.986,54 5.591,55 3.811,56 0.07,57 0.957,58 14.16,59 5.321,60 12.604,61 7.732,62 0.287,63 1.547,64 26.781,65 8.731,66 21.435,67 13.136,68 0.356,69 1.798,70 34.759,71 12.243,72 26.152,73 18.272,74 0.301,75 1.943,76 39.904,77 14.44,78 30.085,79 21.743,80 0.375,81 1.876,82 42.326,83 14.732,84 34.54,85 22.255,86 0.409,87 1.706,88 38.048,89 12.263,90 32.136,91 18.844,92 0.364,93 1.54,94 31.751,95 10.896,96 29.162,97 16.395,98 0.318,99 1.455,100 31.865,101 10.296,102 26.995,103 16.115,104 2,105 48,106 0.234,107 0.578,108 0.783,109 0.836,110 0.85,111 0.85,112 3.471,113 0.957,114 -4.25,115 -4.19,116 -3.96,119 39.3,121 4,124 1,125 4,127 1,140 5,141 2,142 1,149 2,150 2,158 2,164 1,169 6,171 2,172 9,176 3,178 6,181 1,182 4,186 3,189 5,192 1,193 7,197 1,199 5,203 8,206 1,211 6,215 5,218 1,222 5,225 1,226 5,229 2,233 2,236 1,237 5,242 2,244 2,249 2,256 3,259 1653,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.276,266 28.287,267 12.891,268 22.026,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.908,275 38.17,276 6.149,277 18.029,278 4.471,279 2.329,280 1.051,281 0.726,282 0.635,283 0.635,284 4.183,288 1,289 1,290 990,291 3.317,294 267.673,295 198.731,298 141.138,302 2.233,303 13.426,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 441,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.138,327 6.095,328 3.808,329 2.859,330 3.731,331 0.8,332 8.884,333 2.717,334 3.988,335 2.886,336 6.06,337 3.689,338 2.752,339 3.492,340 0.172,341 8.729,342 2.577,343 3.742,344 2.809,345 5.381,346 3.502,347 2.53,348 2.816,350 7.086,351 2.469,352 3.446,353 2.54,354 5.266,355 3.262,356 2.321,357 2.79,359 6.682,360 2.17,361 3.359,362 2.184,363 5.126,364 3.009,365 2.031,366 2.593,368 6,369 1.98,370 3.246,371 1.795,372 4.514,373 2.731,374 1.777,375 2.382,377 4.655,378 1.691,379 2.747,380 1.623,381 4.14,382 2.449,383 1.477,384 1.851,386 3.655,387 1.433,388 2.674,389 1.363,390 4.101,391 2.293,392 1.31,393 1.722,395 3.458,396 1.287,397 2.436,398 1.213,399 3.469,400 2.107,401 1.134,402 1.415,404 2.538,405 1.101,406 2.321,407 1.103,408 3.414,409 1.984,410 1,411 1.28,413 2.281,414 0.983,415 2.175,416 1.077,417 3.341,418 1.968,419 1,420 1.11,422 2.275,423 0.965,424 2.118,425 0.919,426 3.299,427 1.846,428 0.881,429 1,431 2.074,432 0.848,433 2.118,434 0.654,435 3.167,436 1.618,437 0.618,438 0.927,440 1.436,441 0.618,442 2,443 0.618,444 3,445 1.549,446 0.618,447 0.927,449 1.372,450 0.564,451 14.733,452 0.475,453 0.585,454 0.019,455 37.25,456 1.202,457 16,458 0.516,459 21.25,460 0.685,461 28.617,462 0.923,463 33.867,464 0.555,465 25.034,466 0.808,467 7.245,468 0.234,469 8.014,470 0.259,471 0.034,473 0.285,479 0.891,480 1.511,481 0.846,482 1.217,483 0.663,484 1.055,485 1.249,486 1.055,487 1.004,488 0.949,489 0.823,490 0.938,491 1.017,492 1.058,493 1.111,494 1.085,495 0.837,496 1.108,497 0.652,498 1.052,499 1.005,500 1.129,501 0.637,502 1.111,503 0.785,504 0.939,505 0.886,506 0.975,507 0.813,508 0.955,509 1.039,510 0.857,511 0.921,512 0.859,513 0.906,514 0.875,515 0.903,516 1.084,517 1.056,518 1.114,519 0.978,520 1.113,521 0.815,522 0.929,523 1.024,524 0.987,525 0.998,526 1.015,527 5,528 0.107,529 3.333,530 1.354,531 1.081,532 0.903,533 0.434,534 0.268,535 0.161,536 0.163,537 16520,538 37268,539 2.2,540 49.2,541 2,542 17,543 2,544 2,545 1,547 2,548 4,550 1.729,551 2.138,552 3.78,553 -0.361,555 1,559 89.019,560 1.459,561 3.601,562 4.879,563 5.205,564 5.295,565 5.295,566 3.244,567 4.438,568 4.927,569 3.993,570 1856.68,571 8.562,572 28442.5,574 1,577 361.775,578 1.058,579 4.918,580 0.143,581 0.004,582 0.069,583 0.031,584 0.027,585 0.024,586 0.012,587 0.008,588 0.006,589 0.007,590 0.333,591 0.17,592 0.88,593 0.32,594 165.804,595 0.081,596 -0.253,597 0.097,598 -0.117,599 0.232,600 -0.027,601 -0.097,602 0.106,603 -0.019,604 0.056,605 0.064,606 0.035,607 -0.096,608 -0.025,609 -0.148,610 -0.06,611 -0.047,612 -0.104,613 0.016,614 -0.089,615 -0.055,616 -0.11,617 0.061,618 -0.093,619 0.043,620 -0.056,621 0.088,622 0.02,623 0.06,624 0.05,625 -0.042,626 0.059,627 0.074,628 0.104,629 0.007,630 0.103,631 0.054,632 -0.108,633 -0.08,634 -0.115,635 -0.039,636 -0.12,637 -0.036,638 0.009,639 -0.048,640 -0.029,641 -0.132,642 -0.036,643 0.689,644 2.001,645 0.806,646 36.633,647 0.992,648 1.134,649 3.02,650 9.119,651 0.65,652 3.584,653 3.892,654 4.174,655 4.419,656 4.533,657 4.654,658 4.779,659 4.875,660 4.927,661 4.984,662 8.457,663 0.609,664 418.6,665 3.584,666 5.118,667 5.969,668 6.834,669 7.697,670 8.567,671 9.434,672 10.307,673 11.178,674 12.053,675 9.8,678 2,683 2,685 2,687 2,688 9,689 2,690 1,691 1,693 3,694 1,695 20,714 61,716 20,717 1,718 35,720 65,721 24,722 14,723 3,724 3,730 5,731 6,740 3,743 5,745 14,746 10,761 1,763 1,764 30,765 5,766 1,767 7,773 6,777 0.8,778 1,788 1,792 3,793 2,796 1,815 2,819 4,823 1,827 31,833 8,837 1,838 2,844 1,847 1.6,852 1,854 14.5,855 11,856 6.778,857 3.808,858 3.291,859 1.408,860 1.008,861 6.209,862 11.367,863 3.829,864 4.404,865 4.993,866 5.573,867 5.905,868 6.32,869 6.771,870 7.187,871 7.377,872 7.598,873 1,874 43,875 11.449,877 4.809,878 7.425,879 22.785,881 19.181,883 1.925,884 59.667,887 1,888 341.362,889 128.471,890 58.259,892 9.507,895 128.471,896 350.869,897 58.259,898 8.396,899 18.561,900 68.168,901 74.105,902 42.956,903 31.135,904 294.278,906 341.362,907 186.73,908 9.507,911 270.735,912 80.134,915 60.731,916 92.673,917 33.326,919 341.362,920 67.767,921 128.471,924 341.362,925 34.669,926 101.949,927 16.786,928 42.833,929 341.362,930 67.767,931 128.471,933 0.577,934 0.339,935 0.183,936 0.085,937 24,938 9,939 0.123,940 8,941 1,942 1.08,943 4.547,944 272.763,945 0.08,946 25,947 145.58,951 20.497,952 9.39,953 4.766,954 2.483,955 49.082,956 17.89,957 7.833,958 3.418,959 5.501,961 3.535,962 1.948,963 16.786,964 537.599,965 45,975 60.541,976 69.182,977 0.246,978 0.607,979 0.823,980 0.878,981 0.893,982 0.893,983 5.056,984 1.477,985 5.927,986 4.655,987 4.575,988 5.091,989 1.242,990 6.703,991 4.498,992 6.228,993 1.31,994 7.459,995 3.655,996 4.007,997 4.732,998 0.57,999 7.516,1000 3.878,1001 7.51,1002 1.134,1003 9.09,1004 3.458,1005 6.133,1006 7.254,1007 0.883,1008 10.605,1009 5.982,1010 8.832,1011 1,1012 10.783,1013 2.538,1014 6.463,1015 7.879,1016 0.581,1017 12.287,1018 6.264,1019 10.191,1020 1,1021 12.515,1022 2.281,1023 7.97,1024 9.763,1025 0.68,1026 14.853,1027 7.751,1028 11.577,1029 0.881,1030 14.275,1031 2.275,1032 8.703,1033 10.848,1034 0.515,1035 16.887,1036 8.446,1037 12.983,1038 0.618,1039 16.055,1040 2.074,1041 9.965,1042 12.486,1043 0.541,1044 19.282,1045 9.687,1046 3.118,1047 0.618,1048 17.848,1049 1.436,1050 10.889,1051 13.791,1052 0.441,1053 21.471,1054 10.583,1055 2.859,1056 10.431,1057 19.653,1058 1.372,1059 12.05,1060 15.335,1061 0.438,1062 23.809,1063 11.725,1064 2.752,1065 8.884,1066 21.467,1067 4.518,1068 13.066,1069 16.744,1070 0.373,1071 26.069,1072 12.719,1073 2.53,1074 8.729,1075 23.288,1076 3.731,1077 14.189,1078 18.255,1079 0.358,1080 28.392,1081 13.825,1082 2.321,1083 7.086,1084 25.116,1085 3.492,1086 15.251,1087 19.712,1088 0.314,1089 30.687,1090 14.869,1091 2.031,1092 6.682,1093 26.948,1094 2.816,1095 16.362,1096 21.213,1097 0.296,1098 33.009,1099 15.964,1100 1.777,1101 6,1102 28.785,1103 2.79,1104 17.448,1105 22.694,1106 0.264,1107 35.322,1108 17.035,1109 15018,1110 22747,1111 24.444,1112 39.625,1113 52.89,1114 51.722,1115 52.103,1116 52.059,1117 52.03,1118 66.702,1119 3.778,1120 145.86,1121 50.043,1122 5.568,1123 5.197,1124 6.18,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.096,1130 5.062,1131 7.461,1132 1.511,1133 1.478,1134 1.489,1135 1.487,1136 1.487,1137 1.906,1138 0.108,1139 4.167,1140 1.43,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.136,1146 4.069,1147 3.949,1148 3.995,1149 3.872,1150 3.785,1151 5.072,1152 3.799,1153 3.843,1154 3.907,1155 3.79,1156 3.677,1157 4.926,1158 3.684,1159 3.818,1160 3.867,1161 3.728,1162 3.585,1163 4.384,1164 3.622,1165 3.556,1166 3.628,1167 3.415,1168 3.395,1169 4.258,1170 3.393,1171 3.37,1172 3.452,1173 3.243,1174 3.172,1175 4.106,1176 3.18,1177 3.25,1178 3.326,1179 3.1,1180 3.064,1181 3.886,1182 3.061,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.685,1188 2.91,1189 0.131,1190 0.091,1191 0.188,1192 0.117,1193 0.089,1194 4.568,1195 0.129,1196 3.197,1197 0.026,1198 6.566,1199 0.298,1200 4.099,1201 0.087,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.073,1210 2.064,1211 1.438,1212 2.07,1213 1.861,1214 1.798,1215 2.031,1216 2.042,1217 1.28,1218 2.041,1219 1.679,1220 1.623,1221 1.886,1222 1.859,1223 1.123,1224 1.871,1225 1.563,1226 1.517,1227 1.76,1228 1.754,1229 0.969,1230 1.755,1231 1.418,1232 1.363,1233 1.626,1234 1.657,1235 0.825,1236 1.638,1237 1.389,1238 1.33,1239 1.574,1240 1.586,1241 0.754,1242 1.594,1243 1.305,1244 1.25,1245 1.513,1246 1.523,1247 0.656,1248 1.518,1249 1.157,1250 1.081,1251 1.482,1252 1.442,1253 0.58,1254 1.452,1255 4.263,1257 5.572,1258 3.434,1259 7.059,1260 5.638,1261 8.627,1262 7.591,1263 10.243,1265 2.216,1271 9.138,1275 0.644,1276 5.06,1280 37.165,1281 89.019,1282 219.688,1283 297.636,1284 317.51,1285 323.02,1286 323.02,1287 37.427,1288 8.075,1289 66.12,1290 66.12,1291 27,1292 12.593,1293 4.392,1294 3.459,1295 44.061,1296 161,1297 138,1298 0.131,1299 225.363,1300 372.03,1301 541.645,1302 43588,1304 21.045,1305 0.679,1306 0.583,1307 21.045,1308 18.075,1309 15.259,1310 0.436,1311 0.319,1312 10.992,1313 14.605,1314 10.751,1315 8.891,1316 15.259,1317 11.161,1318 13.454,1319 0.28,1320 0.179,1321 13.454,1322 8.584,1323 11.732,1324 0.183,1325 0.102,1326 11.732,1327 6.554,1328 9.774,1329 0.119,1330 0.058,1331 9.774,1332 4.722,1333 6.905,1334 0.075,1335 0.034,1336 6.905,1337 3.102,1338 0.215,1339 95.764,1340 0.202,1341 30.026,1342 0.334,1343 166,1344 412.294,1345 180.728,1346 400.967,1347 563.91,1348 380,1349 195,1350 431.84,1351 211.505,1352 437.031,1353 631.9,1354 410,1355 8.032} {0 CHEMBL434355,1 1.383,2 13.775,3 6.09,4 37.082,5 161.694,6 6.856,7 0.511,8 4.437,9 4.561,10 3.952,11 4.002,12 5.437,13 3.961,14 5.016,15 5.208,16 4.344,17 4.42,18 5.935,19 4.366,20 5.279,21 5.488,22 4.491,23 4.637,24 6.192,25 4.561,26 5.42,27 5.626,28 4.525,29 4.74,30 6.36,31 4.639,32 5.556,33 5.797,34 4.496,35 4.765,36 6.455,37 4.642,38 5.531,39 5.792,40 4.459,41 4.728,42 6.376,43 4.602,44 5.442,45 5.674,46 4.397,47 4.69,48 6.338,49 4.559,50 5.433,51 5.689,52 4.293,53 4.603,54 6.292,55 4.465,56 0.059,57 1.113,58 17.439,59 7.456,60 12.349,61 10.268,62 0.308,63 1.9,64 33.261,65 12.169,66 28.481,67 17.377,68 0.443,69 2.432,70 43.796,71 15.871,72 37.475,73 22.73,74 0.371,75 2.679,76 50.297,77 19.796,78 51.875,79 27.564,80 0.555,81 2.927,82 59.49,83 22.374,84 74.48,85 31.464,86 0.611,87 2.85,88 58.51,89 21.594,90 66.828,91 30.922,92 0.601,93 2.646,94 52.503,95 20.542,96 66.565,97 28.794,98 0.437,99 2.563,100 52.838,101 19.734,102 63.66,103 28.058,104 41,105 66,106 0.21,107 0.517,108 0.72,109 0.83,110 0.843,111 0.851,112 3.718,113 0.959,114 -5.44,115 -5.32,116 -4.97,119 43.6,120 4,121 1,124 1,125 4,127 2,140 11,141 5,142 3,144 2,156 1,169 15,171 1,172 14,178 19,181 2,182 13,189 18,192 1,193 14,199 20,202 1,203 13,211 21,214 2,215 7,222 23,225 4,226 8,233 22,237 9,244 11,248 1,249 17,256 7,259 3100,260 27.325,261 27.325,262 27.325,263 27.325,264 27.325,265 24.59,266 31.512,267 15.605,268 27.889,269 22.057,270 22.057,271 22.057,272 22.057,273 22.057,274 17.729,275 46.307,276 7.172,277 22.838,278 4.902,279 2.888,280 1.549,281 0.827,282 0.741,283 0.689,284 4.43,290 1214,291 3.536,294 87.928,295 539.482,298 158.153,299 170.308,302 2.048,303 27.527,306 0.5,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.72,314 84,315 551,316 4.682,317 3.775,318 6.94,319 4.288,320 3.306,321 4.609,322 1.2,323 11.692,324 3.26,325 4.507,326 3.405,327 6.734,328 4.153,329 3.183,330 4.149,331 0.86,332 11.006,333 3.083,334 4.2,335 3.209,336 6.534,337 3.977,338 3.031,339 3.758,340 0.8,341 10.251,342 2.863,343 4.064,344 3.116,345 6.339,346 3.785,347 2.819,348 3.426,349 0.8,350 9.498,351 2.728,352 3.915,353 2.894,354 6.181,355 3.615,356 2.657,357 3.181,358 0.293,359 9.01,360 2.532,361 3.735,362 2.673,363 5.686,364 3.362,365 2.376,366 2.956,368 7.435,369 2.335,370 3.497,371 2.463,372 5.286,373 3.107,374 2.131,375 2.864,377 6.412,378 2.085,379 3.267,380 2.282,381 5.115,382 2.95,383 2.007,384 2.469,386 5.908,387 1.884,388 3.045,389 1.982,390 4.911,391 2.856,392 1.879,393 2.21,395 5.229,396 1.833,397 2.979,398 1.943,399 4.879,400 2.679,401 1.715,402 2.173,404 5.225,405 1.642,406 2.879,407 1.813,408 4.519,409 2.51,410 1.518,411 1.897,413 4.266,414 1.504,415 2.771,416 1.589,417 4.334,418 2.444,419 1.464,420 1.879,422 3.939,423 1.43,424 2.735,425 1.561,426 3.918,427 2.274,428 1.277,429 1.773,431 2.876,432 1.273,433 2.641,434 1.277,435 3.785,436 2.146,437 1.164,438 1.708,440 2.738,441 1.141,442 2.389,443 1.233,444 3.595,445 2.044,446 1.052,447 1.345,449 2.533,450 1.038,451 19.267,452 0.482,453 1.041,454 0.026,455 51,456 1.275,457 25,458 0.625,459 26,460 0.65,461 43.368,462 1.084,463 42.533,464 0.545,465 43.256,466 1.081,467 9.695,468 0.242,469 9.693,470 0.242,471 0.147,473 0.4,479 0.781,480 1.37,481 0.845,482 1.13,483 0.645,484 1.014,485 1.115,486 1.074,487 0.857,488 0.855,489 0.626,490 0.826,491 1.125,492 0.938,493 0.98,494 0.884,495 0.813,496 0.896,497 1.107,498 1.132,499 1.056,500 1.133,501 1.25,502 1.096,503 1.249,504 1.048,505 1.026,506 1.025,507 1.345,508 1.012,509 1.058,510 0.852,511 0.905,512 0.848,513 1.002,514 0.858,515 0.963,516 1.026,517 1.06,518 1.083,519 0.898,520 1.087,521 1.156,522 1.025,523 1.008,524 1.017,525 1.387,526 1.002,527 7.5,528 0.317,529 5.556,530 3.694,531 2.938,532 1.851,533 1.368,534 0.886,535 0.655,536 0.378,537 25408,538 52116,539 2.12,540 48.7,542 24,546 3,547 11,550 1.803,551 1.967,552 3.738,553 -0.844,559 107.866,560 1.383,561 3.398,562 4.736,563 5.458,564 5.545,565 5.596,566 3.217,567 5.122,568 5.293,569 3.892,570 3035.5,571 9.359,572 50257.9,577 490.261,578 1.458,579 5.247,580 0.167,581 0.007,582 0.084,583 0.049,584 0.039,585 0.026,586 0.02,587 0.014,588 0.011,589 0.007,590 0.424,591 0.33,592 0.63,593 0.76,594 222.917,595 0.038,596 -0.204,597 0.082,598 -0.067,599 -0.026,600 -0.003,601 -0.001,602 0.052,603 0.128,604 0.132,605 0.067,606 0.141,607 -0.043,608 0.179,609 0.007,610 0.091,611 0.031,612 0.066,613 -0.038,614 -0.093,615 -0.08,616 -0.122,617 0.007,618 -0.107,619 -0.041,620 -0.067,621 -0.025,622 -0.036,623 -0.052,624 -0.032,625 0.024,626 0.128,627 0.095,628 0.128,629 0.025,630 0.122,631 0.1,632 -0.034,633 -0.077,634 -0.08,635 0.095,636 -0.095,637 -0.052,638 -0.056,639 -0.01,640 -0.035,641 -0.048,642 -0.02,643 1.632,644 7.212,645 0.775,646 46.3,647 0.988,648 1.121,649 4.206,650 17.691,651 0.665,652 3.829,653 4.205,654 4.564,655 4.89,656 5.159,657 5.342,658 5.549,659 5.73,660 5.878,661 6.014,662 7.948,663 0.621,664 534.76,665 3.829,666 5.407,667 6.301,668 7.215,669 8.123,670 9.043,671 9.957,672 10.88,673 11.797,674 12.721,675 5.1,678 1,681 1,682 1,685 1,687 2,688 11,689 1,693 8,695 23,703 1,709 1,712 1,714 78,716 24,717 3,718 45,720 83,721 34,722 21,723 8,724 8,725 1,730 6,731 8,736 4,740 3,743 3,745 22,746 12,750 1,755 1,759 1,764 38,765 6,767 6,773 4,777 0.667,778 2,786 1,792 1,793 5,796 1,797 1,815 1,819 4,823 5,827 40,833 5,835 1,837 2,838 3,847 2.6,850 1,852 1,854 20.333,855 15.717,856 8.75,857 5.096,858 4.148,859 1.451,860 0.999,861 7.286,862 13.354,863 4.069,864 4.696,865 5.341,866 5.967,867 6.567,868 6.939,869 7.415,870 7.841,871 8.253,872 8.568,873 1,874 75,875 14.879,877 6.398,878 7.5,879 29.26,881 24.897,883 2,884 80,888 447.302,889 197.058,890 26.158,892 36.145,895 197.058,896 483.447,897 26.158,898 46.184,899 14.082,900 104.239,901 46.635,902 48.222,904 447.302,906 447.302,907 223.216,908 36.145,911 317.82,912 165.627,915 58.02,916 148.41,917 16.786,919 447.302,920 62.303,921 197.058,924 447.302,925 46.635,926 159.796,928 52.93,929 447.302,930 62.303,931 197.058,933 0.589,934 0.368,935 0.21,936 0.112,937 34,938 16,939 0.06,940 5,941 2,942 1.129,943 4.728,944 435.955,945 0.129,946 31,947 204.877,951 26.801,952 10.874,953 4.793,954 1.992,955 62.303,956 22.584,957 4.752,961 7.764,964 706.663,965 57.5,970 14.212,974 0.035,975 77.083,976 87.47,977 0.22,978 0.541,979 0.754,980 0.868,981 0.882,982 0.89,983 5.346,984 2.007,985 6.312,986 6.412,987 4.89,988 5.384,989 1.985,990 7.198,991 4.827,992 6.562,993 1.879,994 7.919,995 5.908,996 4.575,997 5.255,998 0.766,999 8.231,1000 4.475,1001 7.888,1002 1.715,1003 9.626,1004 5.229,1005 6.558,1006 7.61,1007 1.879,1008 11.379,1009 6.432,1010 9.249,1011 1.518,1012 11.39,1013 5.225,1014 7.066,1015 8.316,1016 0.931,1017 13.22,1018 6.903,1019 10.645,1020 1.464,1021 13.191,1022 4.266,1023 8.525,1024 10.165,1025 1.952,1026 15.89,1027 8.341,1028 12.064,1029 1.277,1030 15.017,1031 3.939,1032 9.397,1033 11.27,1034 1.142,1035 18.056,1036 9.181,1037 13.501,1038 1.164,1039 16.86,1040 2.876,1041 10.662,1042 12.914,1043 2.113,1044 20.563,1045 10.425,1046 3.306,1047 1.052,1048 18.716,1049 2.738,1050 11.695,1051 14.218,1052 1.436,1053 22.868,1054 11.432,1055 3.183,1056 11.692,1057 20.581,1058 2.533,1059 12.888,1060 15.775,1061 2.33,1062 25.317,1063 12.605,1064 3.031,1065 11.006,1066 22.455,1067 4.609,1068 13.992,1069 17.18,1070 1.783,1071 27.685,1072 13.688,1073 2.819,1074 10.251,1075 24.335,1076 4.149,1077 15.161,1078 18.703,1079 2.586,1080 30.115,1081 14.838,1082 2.657,1083 9.498,1084 26.22,1085 3.758,1086 16.298,1087 20.159,1088 2.156,1089 32.514,1090 15.956,1091 2.376,1092 9.01,1093 28.109,1094 3.426,1095 17.462,1096 21.671,1097 2.87,1098 34.941,1099 17.103,1100 2.131,1101 7.435,1102 30.001,1103 3.181,1104 18.614,1105 23.154,1106 2.541,1107 37.356,1108 18.239,1109 23663,1110 34140,1111 30.054,1112 51.876,1113 69.069,1114 70.296,1115 72.412,1116 68.493,1117 68.53,1118 86.987,1119 7.906,1120 208.191,1121 66.393,1122 5.682,1123 5.775,1124 6.619,1125 5.356,1126 5.306,1127 7.609,1128 2.293,1129 19.475,1130 5.26,1131 21.394,1132 1.535,1133 1.562,1134 1.609,1135 1.522,1136 1.523,1137 1.933,1138 0.176,1139 4.626,1140 1.475,1141 4.147,1142 4.169,1143 4.11,1144 4.095,1145 7.428,1146 4.095,1147 4.02,1148 4.053,1149 3.972,1150 3.93,1151 4.958,1152 3.936,1153 3.862,1154 3.92,1155 3.785,1156 3.748,1157 4.847,1158 3.751,1159 3.828,1160 3.87,1161 3.743,1162 3.685,1163 4.76,1164 3.69,1165 3.546,1166 3.587,1167 3.475,1168 3.419,1169 4.438,1170 3.42,1171 3.447,1172 3.503,1173 3.334,1174 3.307,1175 4.395,1176 3.31,1177 3.367,1178 3.452,1179 3.182,1180 3.217,1181 4.287,1182 3.19,1183 3.367,1184 3.442,1185 3.151,1186 3.185,1187 4.012,1188 3.168,1189 0.104,1190 0.084,1191 0.154,1192 0.095,1193 0.073,1194 4.682,1195 0.102,1196 3.775,1197 0.027,1198 6.94,1199 0.26,1200 4.288,1201 0.072,1202 3.306,1203 4.609,1204 1.2,1205 11.692,1206 3.26,1207 2.1,1208 2.085,1209 2.164,1210 2.154,1211 1.375,1212 2.157,1213 1.926,1214 1.895,1215 2.06,1216 2.081,1217 1.33,1218 2.078,1219 1.82,1220 1.784,1221 1.947,1222 1.941,1223 1.175,1224 1.944,1225 1.78,1226 1.726,1227 1.932,1228 1.92,1229 1.013,1230 1.925,1231 1.545,1232 1.502,1233 1.76,1234 1.739,1235 0.992,1236 1.741,1237 1.445,1238 1.388,1239 1.733,1240 1.642,1241 0.97,1242 1.682,1243 1.406,1244 1.325,1245 1.73,1246 1.606,1247 0.921,1248 1.655,1249 1.405,1250 1.322,1251 1.645,1252 1.574,1253 0.715,1254 1.601,1255 4.511,1257 5.872,1258 2.398,1259 7.441,1260 4.727,1261 9.106,1262 6.843,1263 10.821,1265 10.569,1271 4.386,1273 5.884,1275 0.884,1276 6.938,1280 48.471,1281 107.866,1282 265.017,1283 369.414,1284 425.732,1285 432.487,1286 436.487,1287 66.198,1288 9.205,1289 48.91,1290 48.91,1291 35,1292 13.228,1293 4.644,1294 3.755,1295 57.165,1296 191,1297 199,1298 0.146,1299 292.591,1300 508.9,1301 705.681,1302 148544,1304 27.966,1305 0.699,1306 0.604,1307 27.966,1308 24.146,1309 19.389,1310 0.431,1311 0.32,1312 14.232,1313 18.806,1314 13.708,1315 11.393,1316 19.389,1317 14.384,1318 17.635,1319 0.267,1320 0.169,1321 17.635,1322 11.164,1323 15.935,1324 0.168,1325 0.091,1326 15.935,1327 8.647,1328 14.22,1329 0.108,1330 0.051,1331 14.22,1332 6.749,1333 11.305,1334 0.065,1335 0.025,1336 11.305,1337 4.371,1338 0.228,1339 120.082,1340 0.182,1341 35.407,1342 0.403,1343 222,1344 528.052,1345 237.057,1346 517.259,1347 736.26,1348 490,1349 272,1350 566.154,1351 288.75,1352 577.982,1353 858.43,1354 546,1355 6.9} {0 CHEMBL435060,1 1.463,2 13.31,3 3.027,4 9.163,5 116.51,6 7.176,7 0.636,8 4.099,9 4.227,10 3.659,11 3.636,12 5.122,13 3.614,14 4.656,15 4.835,16 3.988,17 4.052,18 5.591,19 4.004,20 4.884,21 5.105,22 3.903,23 4.152,24 5.715,25 4.04,26 4.933,27 5.187,28 3.815,29 4.115,30 5.705,31 3.977,32 4.912,33 5.192,34 3.774,35 4.037,36 5.648,37 3.904,38 4.758,39 4.998,40 3.801,41 4.011,42 5.559,43 3.906,44 4.829,45 5.081,46 3.752,47 4.021,48 5.631,49 3.887,50 4.81,51 5.104,52 3.502,53 3.868,54 5.534,55 3.702,56 0.059,57 0.837,58 11.696,59 4.788,60 10.442,61 6.566,62 0.248,63 1.359,64 22.256,65 8.007,66 19.735,67 11.106,68 0.295,69 1.547,70 29.29,71 10.987,72 26.397,73 15.447,74 0.241,75 1.561,76 31.701,77 11.827,78 29.707,79 16.965,80 0.349,81 1.517,82 32.093,83 11.083,84 30.523,85 16.242,86 0.215,87 1.392,88 26.08,89 9.35,90 21.825,91 13.582,92 0.271,93 1.492,94 28.157,95 10.035,96 26.098,97 14.742,98 0.324,99 1.336,100 29.283,101 9.754,102 30.433,103 14.64,105 45,106 0.24,107 0.577,108 0.767,109 0.856,110 0.865,111 0.865,112 3.407,113 0.925,114 -4.72,115 -4.64,116 -4.36,119 42.6,121 2,125 4,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 10,171 2,172 6,176 3,178 10,181 1,182 5,186 3,189 7,193 8,199 4,203 9,206 2,211 4,215 6,222 3,225 1,226 6,229 2,231 1,233 3,237 2,240 1,244 4,248 2,249 2,256 6,259 1407,260 20.378,261 20.378,262 20.378,263 20.378,264 20.378,265 17.939,266 22.004,267 12.266,268 20.83,269 16.352,270 16.352,271 16.352,272 16.352,273 16.352,274 12.77,275 24.673,276 5.896,277 17.093,278 4.292,279 2.239,280 1.079,281 0.532,282 0.481,283 0.481,284 4.123,288 1,289 1,290 871,291 2.828,294 227.667,295 183.769,298 123.274,302 2.114,303 13.633,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61.5,315 386,316 4.569,317 3.205,318 6.566,319 4.1,320 3.119,321 4.518,322 1.151,323 10.433,324 3.062,325 4.129,326 3.098,327 6.096,328 3.705,329 2.77,330 3.732,331 0.8,332 8.885,333 2.59,334 3.908,335 2.887,336 5.654,337 3.664,338 2.729,339 3.446,341 7.898,342 2.551,343 3.724,344 2.777,345 5.339,346 3.489,347 2.503,348 2.828,350 6.964,351 2.462,352 3.425,353 2.378,354 5.136,355 3.048,356 2.085,357 2.717,359 6.074,360 2.01,361 3.25,362 2.128,363 4.862,364 2.827,365 1.896,366 2.586,368 5.538,369 1.753,370 3.02,371 1.792,372 4.514,373 2.72,374 1.767,375 2.131,377 4.654,378 1.679,379 2.865,380 1.621,381 4.122,382 2.476,383 1.485,384 1.944,386 3.427,387 1.47,388 2.722,389 1.319,390 3.635,391 2.246,392 1.27,393 1.815,395 3.138,396 1.237,397 2.5,398 1.106,399 3.375,400 2,401 1,402 1.5,404 2.226,405 1,406 2.402,407 1,408 3.307,409 1.933,410 0.978,411 1.359,413 2.136,414 0.931,415 2.147,416 0.983,417 3.247,418 1.805,419 0.849,420 1.03,422 1.99,423 0.808,424 2.118,425 0.809,426 3.234,427 1.649,428 0.689,429 0.927,431 1.665,432 0.659,433 1.887,434 0.756,435 3.109,436 1.518,437 0.618,438 0.823,440 1.372,441 0.556,442 1.604,443 0.618,444 3,445 1.445,446 0.524,447 0.56,449 1.262,450 0.478,451 13.833,452 0.477,453 0.496,454 0.017,455 37.5,456 1.293,457 18,458 0.621,459 19.5,460 0.672,461 23.297,462 0.803,463 30.567,464 0.566,465 25.02,466 0.863,467 7.457,468 0.257,469 6.892,470 0.238,473 0.275,479 0.861,480 1.338,481 0.799,482 1.106,483 0.709,484 0.971,485 1.367,486 1.02,487 1.025,488 0.958,489 1.035,490 0.953,491 1.157,492 1.046,493 1.122,494 1.124,495 0.965,496 1.128,497 0.977,498 1.074,499 1.001,500 1.103,501 0.886,502 1.073,503 0.985,504 0.849,505 0.885,506 0.86,507 0.903,508 0.866,509 1.016,510 1.083,511 0.979,512 1.005,513 0.923,514 0.993,515 0.778,516 1.108,517 1.088,518 1.171,519 0.852,520 1.163,521 0.933,522 0.897,523 0.997,524 0.95,525 1.036,526 0.972,527 4.5,528 0.105,529 2.667,530 1.014,531 1.024,532 0.614,533 0.419,534 0.222,535 0.147,536 0.096,537 13514,538 31004,539 2.237,540 46.3,542 17,543 1,544 2,545 1,547 2,548 2,550 1.713,551 2.203,552 3.686,553 -0.371,555 1,559 79.016,560 1.463,561 3.516,562 4.676,563 5.222,564 5.273,565 5.273,566 3.142,567 4.28,568 4.828,569 3.877,570 1573.88,571 8.376,572 22532.7,574 1,576 1,577 310.764,578 0.85,579 4.832,580 0.136,581 0.005,582 0.059,583 0.026,584 0.029,585 0.018,586 0.012,587 0.007,588 0.006,589 0.004,590 0.303,591 0.33,592 0.88,594 150.885,595 0.077,596 -0.155,597 0.089,598 -0.073,599 0.152,600 -0.005,601 -0.117,602 0.097,603 -0.073,604 0.027,605 -0.06,606 -0.011,607 -0.072,608 -0.059,609 -0.157,610 -0.115,611 -0.036,612 -0.141,613 -0.031,614 -0.153,615 -0.021,616 -0.093,617 0.025,618 -0.064,619 0.029,620 0.068,621 0.125,622 0.116,623 0.051,624 0.127,625 -0.084,626 -0.091,627 -0.01,628 -0.013,629 -0.056,630 -0.007,631 0.056,632 -0.11,633 -0.12,634 -0.198,635 -0.016,636 -0.184,637 0.022,638 0.013,639 0.018,640 0.01,641 -0.045,642 0.016,643 1.001,644 2.621,645 0.862,646 32.537,647 0.994,648 1.127,649 3.492,650 12.195,651 0.668,652 3.526,653 3.829,654 4.111,655 4.369,656 4.5,657 4.595,658 4.754,659 4.92,660 4.977,661 5.03,662 7.806,663 0.631,664 387.53,665 3.526,666 5.056,667 5.905,668 6.77,669 7.632,670 8.502,671 9.371,672 10.244,673 11.117,674 11.994,675 9.3,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 54,716 21,717 2,718 33,720 58,721 23,722 16,723 4,724 8,730 5,731 6,740 2,743 3,745 16,746 7,761 1,764 25,765 4,766 1,767 6,773 5,777 0.8,778 1,788 1,789 1,792 3,793 2,796 1,815 1,818 1,819 4,827 29,833 6,835 1,837 1,838 1,844 1,847 1.9,851 1,854 13.167,855 9.467,856 6.333,857 3.289,858 3.614,859 1.45,860 1.029,861 5.33,862 11.65,863 3.795,864 4.382,865 4.982,866 5.57,867 5.997,868 6.331,869 6.787,870 7.224,871 7.429,872 7.661,873 0.889,874 39,875 10.704,877 4.534,878 7.454,879 21.152,881 17.813,883 1.954,884 56.667,887 1,888 282.506,889 131.918,890 55.135,892 11,895 131.918,896 293.506,897 55.135,899 15.979,900 84.857,901 85.105,902 33.51,903 13.915,904 247.193,906 282.506,907 187.053,908 11,911 235.422,912 47.084,913 11,915 55.025,916 98.702,917 33.326,919 282.506,920 66.135,921 131.918,924 282.506,925 29.824,926 107.118,927 16.786,928 44.326,929 282.506,930 66.135,931 131.918,933 0.574,934 0.334,935 0.182,936 0.088,937 23,938 8,939 0.121,940 7,941 1,942 1.08,943 4.392,944 251.467,945 0.08,946 25,947 132.881,951 18.408,952 8.397,953 4.212,954 2.439,955 47.45,956 22.432,957 7.811,958 3.4,961 3.677,962 1.936,963 16.786,964 480.559,965 43.5,975 53.672,976 60.853,977 0.254,978 0.611,979 0.813,980 0.907,981 0.916,982 0.916,983 5.012,984 1.485,985 5.855,986 4.654,987 4.511,988 5.069,989 1.528,990 6.621,991 4.427,992 6.186,993 1.27,994 7.376,995 3.427,996 3.892,997 4.677,998 0.325,999 7.402,1000 3.769,1001 7.467,1002 1,1003 8.995,1004 3.138,1005 6.057,1006 7.247,1007 1.603,1008 10.497,1009 5.895,1010 8.788,1011 0.978,1012 10.676,1013 2.226,1014 6.347,1015 7.826,1016 0.268,1017 12.171,1018 6.149,1019 10.146,1020 0.849,1021 12.399,1022 2.136,1023 7.881,1024 9.763,1025 1.778,1026 14.738,1027 7.654,1028 11.531,1029 0.689,1030 14.15,1031 1.99,1032 8.59,1033 10.809,1034 0.188,1035 16.779,1036 8.332,1037 12.937,1038 0.618,1039 15.923,1040 1.665,1041 9.868,1042 12.486,1043 1.991,1044 19.177,1045 9.586,1046 3.119,1047 0.524,1048 17.712,1049 1.372,1050 10.78,1051 13.766,1052 0.125,1053 21.377,1054 10.474,1055 2.77,1056 10.433,1057 19.513,1058 1.262,1059 11.951,1060 15.334,1061 2.225,1062 23.721,1063 11.625,1064 2.729,1065 8.885,1066 21.325,1067 4.518,1068 12.962,1069 16.729,1070 0.082,1071 25.992,1072 12.618,1073 2.503,1074 7.898,1075 23.146,1076 3.732,1077 14.091,1078 18.253,1079 2.473,1080 28.322,1081 13.73,1082 2.085,1083 6.964,1084 24.974,1085 3.446,1086 15.152,1087 19.703,1088 0.054,1089 30.626,1090 14.777,1091 1.896,1092 6.074,1093 26.808,1094 2.828,1095 16.267,1096 21.211,1097 2.73,1098 32.955,1099 15.878,1100 1.767,1101 5.538,1102 28.647,1103 2.717,1104 17.355,1105 22.688,1106 0.035,1107 35.275,1108 16.953,1109 12248,1110 18708,1111 23.345,1112 36.097,1113 49.414,1114 49.264,1115 49.034,1116 49.215,1117 49.243,1118 64.631,1119 3.902,1120 136.994,1121 47.141,1122 5.521,1123 5.205,1124 6.368,1125 5.176,1126 5.119,1127 7.518,1128 2.302,1129 17.106,1130 5.062,1132 1.497,1133 1.493,1134 1.486,1135 1.491,1136 1.492,1137 1.959,1138 0.118,1139 4.151,1140 1.429,1141 4.154,1142 4.192,1143 4.114,1144 4.061,1145 5.135,1146 4.069,1147 3.93,1148 3.967,1149 3.849,1150 3.85,1151 4.928,1152 3.845,1153 3.845,1154 3.911,1155 3.791,1156 3.676,1157 4.791,1158 3.682,1159 3.806,1160 3.87,1161 3.714,1162 3.572,1163 4.54,1164 3.612,1165 3.426,1166 3.484,1167 3.306,1168 3.285,1169 4.262,1170 3.284,1171 3.245,1172 3.308,1173 3.126,1174 3.044,1175 4.131,1176 3.052,1177 3.154,1178 3.226,1179 2.993,1180 2.973,1181 3.817,1182 2.969,1183 2.896,1184 2.971,1185 2.762,1186 2.761,1187 3.674,1188 2.755,1189 0.138,1190 0.097,1191 0.199,1192 0.124,1193 0.095,1194 4.569,1195 0.137,1196 3.205,1197 0.035,1198 6.566,1199 0.316,1200 4.1,1201 0.093,1202 3.119,1203 4.518,1204 1.151,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.039,1210 2.052,1211 1.269,1212 2.049,1213 1.905,1214 1.877,1215 2.035,1216 1.996,1217 1.195,1218 2.01,1219 1.681,1220 1.62,1221 1.877,1222 1.878,1223 1.121,1224 1.883,1225 1.567,1226 1.517,1227 1.81,1228 1.759,1229 1.104,1230 1.776,1231 1.436,1232 1.362,1233 1.636,1234 1.692,1235 0.871,1236 1.675,1237 1.373,1238 1.308,1239 1.514,1240 1.59,1241 0.6,1242 1.581,1243 1.143,1244 1.082,1245 1.424,1246 1.442,1247 0.584,1248 1.387,1249 1.078,1250 0.982,1251 1.344,1252 1.361,1253 0.496,1254 1.379,1255 4.205,1257 5.509,1258 3.434,1259 6.991,1260 5.687,1261 8.553,1262 7.678,1263 10.161,1271 6.007,1273 6.121,1275 0.332,1276 2.512,1280 34.09,1281 79.016,1282 189.85,1283 252.499,1284 282.009,1285 284.764,1286 284.764,1287 33.235,1288 8.035,1289 58.97,1290 58.97,1291 27,1292 12.533,1293 4.459,1294 3.524,1295 39.913,1296 137,1297 134,1298 0.139,1299 206.048,1300 341.09,1301 494.518,1302 41014,1304 19.468,1305 0.671,1306 0.564,1307 19.468,1308 16.368,1309 14.348,1310 0.435,1311 0.308,1312 10.038,1313 13.81,1314 9.853,1315 8.119,1316 14.348,1317 10.179,1318 12.583,1319 0.28,1320 0.17,1321 12.583,1322 7.671,1323 10.972,1324 0.183,1325 0.095,1326 10.972,1327 5.723,1328 9.195,1329 0.118,1330 0.052,1331 9.195,1332 4.071,1333 6.794,1334 0.076,1335 0.029,1336 6.794,1337 2.596,1338 0.226,1339 89.64,1340 0.207,1341 28.266,1342 0.361,1343 156,1344 392.649,1345 168.646,1346 383.509,1347 539.01,1348 364,1349 183,1350 407.909,1351 197.34,1352 414.695,1353 601.89,1354 390,1355 7.604} {0 CHEMBL435936,1 1.634,2 10.968,3 4.99,4 24.904,5 126.085,6 7.855,7 0.353,8 4.171,9 4.294,10 3.786,11 3.695,12 5.194,13 3.663,14 4.756,15 4.949,16 4.21,17 4.12,18 5.724,19 4.071,20 5.016,21 5.214,22 4.446,23 4.345,24 6.013,25 4.263,26 5.166,27 5.387,28 4.287,29 4.38,30 6.125,31 4.263,32 5.232,33 5.495,34 4.21,35 4.309,36 6.162,37 4.19,38 5.064,39 5.295,40 4.239,41 4.273,42 6.031,43 4.175,44 5.102,45 5.328,46 4.205,47 4.329,48 6.018,49 4.194,50 5.118,51 5.375,52 4.085,53 4.245,54 6.009,55 4.089,56 0.026,57 0.857,58 12.014,59 5.301,60 8.236,61 7.186,62 0.372,63 1.402,64 26.142,65 8.88,66 27.578,67 12.393,68 0.501,69 1.737,70 40.265,71 12.023,72 39.059,73 16.527,74 0.433,75 1.885,76 44.717,77 14.801,78 51.988,79 20.341,80 0.773,81 1.866,82 51.498,83 15.293,84 80.218,85 21.282,86 0.629,87 1.701,88 38.983,89 12.97,90 57.196,91 17.965,92 0.565,93 1.73,94 41.576,95 14.413,96 52.251,97 19.631,98 0.55,99 1.648,100 47.89,101 14.261,102 63.742,103 19.624,104 51,105 50,106 0.268,107 0.578,108 0.785,109 0.838,110 0.838,111 0.838,112 3.472,113 0.993,114 -4.47,115 -4.4,116 -4.15,119 39,120 2,121 1,124 2,125 3,127 2,140 5,141 1,142 6,157 1,169 4,171 1,172 7,174 2,176 1,178 4,181 2,182 6,186 2,189 6,192 1,193 7,197 5,199 3,202 1,203 7,208 1,211 2,214 2,215 7,218 1,222 5,225 2,226 3,229 1,233 9,237 2,244 10,248 1,249 5,252 1,254 2,256 2,259 1587,260 20.524,261 20.524,262 20.524,263 20.524,264 20.524,265 18.862,266 32.215,267 11.554,268 21.256,269 16.618,270 16.618,271 16.618,272 16.618,273 16.618,274 13.98,275 48.843,276 5.337,277 17.852,278 4.248,279 2.353,280 1.087,281 0.763,282 0.763,283 0.763,284 4.161,285 2,288 1,289 1,290 725,291 3.317,294 71.418,295 279.939,298 126.656,302 1.715,303 28.789,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 66.667,315 340,316 4.52,317 3.761,318 6.761,319 4.197,320 3.239,321 4.15,322 1.701,323 11.099,324 3.101,325 4.329,326 3.41,327 6.49,328 3.967,329 3.033,330 3.985,331 0.86,332 10.095,333 2.833,334 4.111,335 3.367,336 6.341,337 3.852,338 2.941,339 3.383,340 0.8,341 9.439,342 2.659,343 3.885,344 3.145,345 6.22,346 3.669,347 2.735,348 2.966,349 0.8,350 8.954,351 2.531,352 3.6,353 2.881,354 5.627,355 3.267,356 2.306,357 2.825,358 0.563,359 7.277,360 2.195,361 3.26,362 2.454,363 5.177,364 2.916,365 2.007,366 2.478,367 0.075,368 6.042,369 1.833,370 3.137,371 2.392,372 5.006,373 2.856,374 1.879,375 2.294,377 5.495,378 1.807,379 2.879,380 1.982,381 4.879,382 2.749,383 1.833,384 2.029,386 5.225,387 1.617,388 2.866,389 1.931,390 4.533,391 2.454,392 1.48,393 1.879,395 4.359,396 1.432,397 2.723,398 1.821,399 4.018,400 2.359,401 1.414,402 1.751,404 3.193,405 1.283,406 2.337,407 1.572,408 3.848,409 2.087,410 1.125,411 1.276,413 2.952,414 1.067,415 1.972,416 1.178,417 3.739,418 1.789,419 0.855,420 0.924,422 2.224,423 0.791,424 1.548,425 1.173,426 3.076,427 1.323,428 0.403,429 0.445,431 0.899,432 0.351,433 1.484,434 0.812,435 2.919,436 1.257,437 0.368,438 0.378,440 0.728,441 0.325,442 1.399,443 0.559,444 2.742,445 1.056,446 0.251,447 0.29,449 0.488,450 0.166,451 15.195,452 0.49,453 0.963,454 0.031,455 36.5,456 1.177,457 15.5,458 0.5,459 21,460 0.677,461 33.429,462 1.078,463 34.605,464 0.587,465 28.28,466 0.912,467 6.966,468 0.225,469 7.829,470 0.253,471 0.248,473 0.408,479 0.748,480 1.58,481 0.615,482 1.084,483 0.581,484 0.996,485 0.921,486 1.055,487 0.64,488 0.724,489 0.541,490 0.755,491 0.929,492 1.096,493 0.791,494 0.93,495 0.749,496 0.964,497 0.949,498 1.22,499 0.912,500 1.159,501 1.021,502 1.14,503 1.037,504 0.906,505 0.725,506 0.843,507 1.092,508 0.847,509 0.854,510 0.945,511 0.643,512 0.87,513 0.832,514 0.901,515 0.89,516 1.069,517 0.858,518 1.023,519 0.76,520 1.081,521 1.124,522 0.981,523 1.001,524 0.956,525 1.19,526 0.995,527 7,528 0.186,529 4.889,530 2.757,531 2.347,532 1.354,533 1.053,534 0.623,535 0.514,536 0.273,537 11985,538 32676,539 2.027,540 47.5,542 19,545 1,547 8,550 1.74,551 1.842,552 3.432,553 -0.329,559 96.428,560 1.634,561 3.529,562 4.796,563 5.12,564 5.12,565 5.12,566 2.882,567 4.632,568 4.927,569 3.601,570 1674.25,571 8.625,572 23287.8,577 347.076,578 1.541,579 4.855,580 0.206,581 0.008,582 0.098,583 0.05,584 0.048,585 0.029,586 0.022,587 0.014,588 0.014,589 0.01,590 0.499,591 0.5,592 0.88,593 0.804,594 159.366,595 -0.025,596 -0.31,597 0.031,598 -0.104,599 -0.033,600 -0.03,601 0.015,602 0.118,603 0.103,604 0.197,605 0.094,606 0.176,607 0.009,608 0.039,609 0.071,610 0.021,611 0.059,612 -0.016,613 -0.04,614 -0.186,615 -0.079,616 -0.199,617 -0.026,618 -0.169,619 0.021,620 0.032,621 0.081,622 0.08,623 0.039,624 0.111,625 0.107,626 0.083,627 0.084,628 0.059,629 0.106,630 0.055,631 0.03,632 -0.065,633 -0.038,634 -0.053,635 0.035,636 -0.1,637 -0.133,638 -0.035,639 -0.044,640 0.008,641 -0.103,642 -0.017,643 1.89,644 6.092,645 0.677,646 29.89,647 1.003,648 1.13,649 3.244,650 10.524,651 0.67,652 3.555,653 3.932,654 4.248,655 4.5,656 4.736,657 4.89,658 5.03,659 5.176,660 5.268,661 5.366,662 6.657,663 0.627,664 463.45,665 3.555,666 5.13,667 6.009,668 6.909,669 7.803,670 8.708,671 9.608,672 10.516,673 11.419,674 12.328,675 6.8,678 1,681 1,682 2,688 5,693 7,695 12,709 1,712 1,713 2,714 59,716 13,717 2,718 34,720 62,721 23,722 12,723 7,724 5,730 4,731 5,732 2,735 1,736 2,740 3,743 3,745 13,746 10,750 1,755 1,759 1,764 28,765 6,766 1,767 8,768 2,773 4,777 0.75,778 2,792 1,793 3,796 1,815 1,819 3,823 4,824 2,827 31,833 4,834 1,835 1,837 2,838 3,846 2,847 3.4,850 1,852 1,854 16.833,855 11.802,856 6.75,857 3.577,858 2.209,859 1.278,860 0.965,861 6.7,862 10.163,863 3.738,864 4.317,865 4.852,866 5.355,867 5.852,868 6.089,869 6.354,870 6.636,871 6.818,872 7.087,873 1,874 55,875 11.497,877 4.902,878 7.668,879 22.211,881 18.553,883 2.168,884 67.222,887 1,888 317.82,889 121.139,890 27.384,891 78.297,892 36.145,895 121.139,896 432.262,897 27.384,898 36.93,899 29.987,900 47.381,901 25.145,902 40.949,903 4.276,904 317.82,905 78.297,906 317.82,907 148.523,908 36.145,909 78.297,911 223.651,912 130.314,915 50.761,916 97.761,917 78.297,919 317.82,920 63.529,921 199.436,924 317.82,925 36.828,926 93.684,927 18.011,928 114.442,929 317.82,930 63.529,931 199.436,933 0.598,934 0.369,935 0.188,936 0.1,937 25,938 13,939 0.048,940 3,941 1,942 1.095,943 4.017,944 292.003,945 0.095,946 21,947 147.58,951 22.679,952 9.159,953 4.39,955 63.529,956 9.361,961 5.132,963 18.011,964 580.785,965 41,970 13.092,974 -0.223,975 59.196,976 66.698,977 0.278,978 0.6,979 0.815,980 0.87,981 0.87,982 0.87,983 5.03,984 1.833,985 6.033,986 5.495,987 4.615,988 5.004,989 2.286,990 6.901,991 4.48,992 6.237,993 1.48,994 7.641,995 5.225,996 4.369,997 4.924,998 1.494,999 7.897,1000 4.136,1001 7.558,1002 1.414,1003 9.344,1004 4.359,1005 6.279,1006 7.134,1007 2.662,1008 11.011,1009 6.023,1010 8.91,1011 1.125,1012 11.1,1013 3.193,1014 6.815,1015 7.828,1016 2.523,1017 12.781,1018 6.458,1019 10.292,1020 0.855,1021 12.887,1022 2.952,1023 8.231,1024 9.58,1025 3.432,1026 15.423,1027 7.853,1028 11.694,1029 0.403,1030 14.697,1031 2.224,1032 9.104,1033 10.623,1034 3.619,1035 17.518,1036 8.639,1037 13.112,1038 0.368,1039 16.521,1040 0.899,1041 10.341,1042 12.195,1043 4.37,1044 19.988,1045 9.847,1046 3.239,1047 0.251,1048 18.357,1049 0.728,1050 11.362,1051 13.409,1052 4.719,1053 22.23,1054 10.796,1055 3.033,1056 11.099,1057 20.201,1058 0.488,1059 12.533,1060 14.899,1061 5.375,1062 24.635,1063 11.93,1064 2.941,1065 10.095,1066 22.053,1067 4.15,1068 13.618,1069 16.202,1070 5.808,1071 26.946,1072 12.957,1073 2.735,1074 9.439,1075 23.91,1076 3.985,1077 14.767,1078 17.651,1079 6.41,1080 29.329,1081 14.066,1082 2.306,1083 8.954,1084 25.772,1085 3.383,1086 15.882,1087 19.001,1088 6.887,1089 31.674,1090 15.131,1091 2.007,1092 7.277,1093 27.638,1094 2.966,1095 17.025,1096 20.43,1097 7.458,1098 34.052,1099 16.233,1100 1.879,1101 6.042,1102 29.507,1103 2.825,1104 18.156,1105 21.807,1106 7.96,1107 36.416,1108 17.319,1109 11599,1110 19453,1111 21.907,1112 39.546,1113 51.927,1114 54.013,1115 54.963,1116 51.802,1117 51.737,1118 62.104,1119 9.6,1120 156.94,1121 47.985,1122 5.52,1123 5.761,1124 6.298,1125 5.264,1126 5.239,1127 7.15,1128 2.972,1129 18.302,1130 5.101,1131 19.371,1132 1.527,1133 1.589,1134 1.617,1135 1.524,1136 1.522,1137 1.827,1138 0.282,1139 4.616,1140 1.411,1141 4.059,1142 4.095,1143 4.126,1144 3.952,1145 7.429,1146 3.961,1147 3.904,1148 3.931,1149 3.992,1150 3.849,1151 5.042,1152 3.842,1153 3.841,1154 3.898,1155 3.741,1156 3.672,1157 4.851,1158 3.679,1159 3.519,1160 3.562,1161 3.496,1162 3.314,1163 4.494,1164 3.335,1165 3.367,1166 3.452,1167 3.391,1168 3.217,1169 4.443,1170 3.19,1171 3.273,1172 3.329,1173 3.274,1174 3.036,1175 4.399,1176 3.065,1177 3.223,1178 3.303,1179 3.151,1180 2.943,1181 4.295,1182 2.95,1183 3.089,1184 3.194,1185 3.118,1186 2.861,1187 3.969,1188 2.841,1189 0.133,1190 0.111,1191 0.199,1192 0.123,1193 0.095,1194 4.52,1195 0.122,1196 3.761,1197 0.05,1198 6.761,1199 0.326,1200 4.197,1201 0.091,1202 3.239,1203 4.15,1204 1.701,1205 11.099,1206 3.101,1207 1.926,1208 1.897,1209 2.055,1210 2.079,1211 1.36,1212 2.075,1213 1.874,1214 1.855,1215 1.937,1216 1.969,1217 1.171,1218 1.969,1219 1.768,1220 1.713,1221 1.923,1222 1.912,1223 1.061,1224 1.918,1225 1.51,1226 1.446,1227 1.733,1228 1.739,1229 0.986,1230 1.737,1231 1.405,1232 1.325,1233 1.729,1234 1.606,1235 0.97,1236 1.655,1237 1.245,1238 1.189,1239 1.57,1240 1.533,1241 0.652,1242 1.542,1243 1.176,1244 1.085,1245 1.545,1246 1.477,1247 0.579,1248 1.498,1249 1.099,1250 1.011,1251 1.439,1252 1.378,1253 0.557,1254 1.406,1255 4.234,1257 5.595,1258 2.398,1259 7.151,1260 4.727,1261 8.796,1262 6.843,1263 10.486,1265 8.336,1266 12.35,1271 3.181,1272 2.9,1273 5.735,1275 0.845,1276 6.514,1280 37.019,1281 96.428,1282 208.239,1283 282.937,1284 302.056,1285 302.056,1286 302.056,1287 58.382,1288 7.954,1289 48.05,1290 48.05,1291 23,1292 12.845,1293 3.807,1294 3,1295 49.264,1296 123,1297 114,1298 0.196,1299 233.164,1300 408.74,1301 560.681,1302 31289,1303 3.4,1304 22.284,1305 0.719,1306 0.639,1307 23.284,1308 19.796,1309 14.795,1310 0.435,1311 0.331,1312 10.402,1313 13.667,1314 9.953,1315 8.25,1316 15.372,1317 11.257,1318 13.754,1319 0.275,1320 0.183,1321 14.458,1322 9.14,1323 12.337,1324 0.179,1325 0.105,1326 13.347,1327 7.233,1328 9.736,1329 0.109,1330 0.053,1331 10.209,1332 4.757,1333 7.67,1334 0.068,1335 0.028,1336 8.041,1337 3.138,1338 0.304,1339 98.956,1340 0.214,1341 28.717,1342 0.551,1343 168,1344 465.146,1345 213.928,1346 505.808,1347 675.77,1348 472,1349 203,1350 455.964,1351 248.758,1352 482.298,1353 711.98,1354 451,1355 7.1} {0 CHEMBL435949,1 1.462,2 10.292,3 2.719,4 7.392,5 96.495,6 7.01,7 0.593,8 3.934,9 4.065,10 3.472,11 3.447,12 4.945,13 3.426,14 4.491,15 4.686,16 3.798,17 3.842,18 5.411,19 3.8,20 4.702,21 4.921,22 3.837,23 3.992,24 5.551,25 3.904,26 4.797,27 5.038,28 3.733,29 4.014,30 5.578,31 3.885,32 4.841,33 5.109,34 3.62,35 3.974,36 5.581,37 3.824,38 4.763,39 5.03,40 3.473,41 3.88,42 5.486,43 3.707,44 4.671,45 4.992,46 3.236,47 3.67,48 5.325,49 3.477,50 4.342,51 4.653,52 3.05,53 3.394,54 5.053,55 3.24,56 0.033,57 0.705,58 10.309,59 4,60 8.1,61 5.649,62 0.231,63 1.144,64 19.639,65 6.314,66 18.44,67 9.212,68 0.265,69 1.35,70 24.451,71 8.55,72 20.191,73 12.531,74 0.232,75 1.401,76 27.355,77 9.961,78 21.389,79 14.472,80 0.321,81 1.388,82 29.545,83 10.244,84 27.205,85 14.984,86 0.279,87 1.283,88 27.126,89 9.603,90 23.677,91 14.223,92 0.262,93 1.128,94 25.678,95 8.302,96 22.725,97 12.91,98 0.239,99 0.805,100 18.523,101 5.925,102 19.317,103 8.981,104 3,105 37,106 0.251,107 0.591,108 0.752,109 0.84,110 0.847,111 0.847,112 3.228,113 0.929,114 -3.41,115 -3.39,116 -3.24,119 41.3,124 1,125 5,140 6,141 2,142 2,143 1,149 1,159 1,169 6,172 5,174 1,176 2,178 4,181 2,182 7,186 1,189 2,193 3,195 1,197 1,202 1,203 3,214 1,215 3,226 2,229 1,233 1,236 1,237 2,244 3,249 1,254 1,256 4,259 730,260 16.87,261 16.87,262 16.87,263 16.87,264 16.87,265 14.986,266 18.362,267 10.043,268 17.377,269 13.291,270 13.291,271 13.291,272 13.291,273 13.291,274 10.483,275 26.862,276 4.669,277 14.016,278 4.061,279 2.079,280 1.136,281 0.625,282 0.582,283 0.582,284 3.933,287 1,288 1,289 1,290 548,291 2.345,294 52.095,295 214.49,298 98.092,302 1.684,303 11.036,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 51,315 247,316 4.527,317 3.297,318 6.535,319 4.052,320 3.079,321 4.474,322 0.916,323 10.31,324 2.999,325 4.294,326 3.184,327 6.498,328 3.957,329 3.012,330 3.862,331 0.86,332 10.159,333 2.842,334 3.617,335 2.798,336 5.475,337 3.433,338 2.505,339 2.829,340 0.8,341 7.28,342 2.321,343 3.36,344 2.468,345 5.193,346 3.027,347 2.094,348 2.547,349 0.172,350 6.193,351 1.954,352 3.097,353 2.024,354 4.938,355 2.772,356 1.833,357 2.319,359 5.464,360 1.716,361 3.045,362 1.68,363 4.167,364 2.51,365 1.546,366 2.207,368 3.73,369 1.487,370 2.917,371 1.546,372 4.012,373 2.461,374 1.495,375 2.084,377 3.342,378 1.437,379 2.634,380 1.261,381 3.601,382 2.162,383 1.189,384 1.693,386 2.834,387 1.154,388 2.471,389 1.177,390 3.579,391 2.077,392 1.106,393 1.463,395 2.709,396 1.071,397 2.075,398 1.146,399 3.414,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2,407 0.939,408 3.162,409 1.579,410 0.643,411 0.899,413 1.497,414 0.6,415 1.653,416 0.729,417 2.845,418 1.367,419 0.487,420 0.554,422 0.772,423 0.424,424 1.164,425 0.184,426 2.699,427 0.947,433 0.799,434 -0.147,435 2.306,436 0.467,437 -0.476,438 -0.561,440 -1.054,441 -0.443,442 0.661,443 -0.527,444 2,445 0.192,446 -0.757,447 -0.919,449 -1.675,450 -0.712,451 11.433,452 0.476,453 0.41,454 0.017,455 31.5,456 1.313,457 15,458 0.625,459 16.5,460 0.688,461 18.128,462 0.755,463 25.767,464 0.56,465 20.506,466 0.854,467 6.43,468 0.268,469 5.418,470 0.226,471 0.044,473 0.289,479 0.959,480 1.504,481 0.827,482 1.173,483 0.79,484 1.011,485 1.486,486 1.032,487 1.004,488 0.849,489 1.069,490 0.858,491 0.971,492 1.099,493 1.033,494 1.06,495 0.773,496 1.049,497 0.948,498 1.103,499 1.083,500 1.156,501 0.935,502 1.14,503 1.131,504 0.922,505 1.076,506 0.997,507 1.159,508 1.03,509 0.898,510 1.125,511 1.113,512 1.16,513 1.044,514 1.17,515 0.7,516 0.841,517 0.899,518 0.869,519 0.837,520 0.892,521 1.023,522 0.586,523 0.856,524 0.645,525 1.024,526 0.713,527 3.5,528 0.089,529 2.667,530 1.542,531 0.822,532 0.598,533 0.351,534 0.173,535 0.164,536 0.119,537 7116,538 16333,539 2.187,540 47.8,542 19,543 1,544 1,545 1,550 1.664,551 2.118,552 3.329,553 -0.342,554 1,555 1,559 67.266,560 1.462,561 3.445,562 4.387,563 4.898,564 4.942,565 4.942,566 2.742,567 4.304,568 4.559,569 3.503,570 966.865,571 7.84,572 11516.3,574 1,576 1,577 254.084,578 1.099,579 4.546,580 0.13,581 0.005,582 0.072,583 0.042,584 0.026,585 0.021,586 0.015,587 0.01,588 0.01,589 0.007,590 0.337,591 0.5,592 1,593 0.573,594 114.949,595 0.002,596 -0.299,597 0.087,598 -0.118,599 0.094,600 -0.023,601 -0.183,602 0.11,603 -0.02,604 0.114,605 -0.059,606 0.075,607 0.015,608 -0.031,609 -0.072,610 -0.074,611 0.084,612 -0.081,613 -0.042,614 -0.114,615 -0.124,616 -0.158,617 -0.069,618 -0.152,619 -0.098,620 0.014,621 -0.089,622 -0.022,623 -0.194,624 -0.051,625 -0.004,626 -0.198,627 -0.141,628 -0.176,629 -0.149,630 -0.181,631 0.043,632 0.05,633 0.096,634 0.065,635 0.019,636 0.086,637 -0.031,638 0.31,639 0.159,640 0.289,642 0.256,643 0.714,644 1.992,645 0.875,646 20.25,647 0.993,648 1.129,649 2.177,650 4.74,651 0.659,652 3.332,653 3.638,654 3.951,655 4.22,656 4.407,657 4.394,658 4.533,659 4.644,660 4.673,661 4.787,662 6.218,663 0.62,664 322.45,665 3.332,666 4.86,667 5.72,668 6.594,669 7.468,670 8.346,671 9.223,672 10.103,673 10.981,674 11.862,675 8.7,678 1,681 1,683 1,685 1,687 2,688 8,689 1,690 1,693 3,695 16,709 1,712 1,714 46,716 16,717 1,718 27,720 49,721 19,722 13,723 2,724 4,730 4,731 5,745 13,746 6,760 1,761 1,764 22,765 4,766 1,767 5,773 4,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,827 24,833 5,835 1,838 2,847 2.2,852 1,854 11.333,855 8.433,856 5.361,857 2.722,858 3.051,859 1.412,860 1.017,861 4.409,862 10.461,863 3.584,864 4.171,865 4.786,866 5.363,867 5.806,868 5.949,869 6.273,870 6.55,871 6.413,872 6.689,873 0.857,874 37,875 8.853,877 3.694,878 7.451,879 17.478,881 14.476,883 1.951,884 46.833,887 1,888 247.193,889 111.838,890 39.82,892 11,895 111.838,896 258.193,897 39.82,898 10.883,899 10.529,900 65.905,901 30.272,902 56.84,903 11.771,904 223.651,906 247.193,907 151.658,908 11,911 247.193,912 11,915 41.201,916 93.671,917 16.786,919 247.193,920 50.82,921 111.838,924 247.193,925 26.003,926 92.084,927 16.786,928 27.785,929 247.193,930 50.82,931 111.838,933 0.571,934 0.35,935 0.199,936 0.104,937 19,938 7,939 0.082,940 4,941 1,942 1.095,943 3.75,944 196.803,945 0.095,946 21,947 106.039,951 15.486,952 6.833,953 3.152,954 2.199,955 34.034,956 16.31,957 4.37,958 3.263,961 3.466,963 16.786,964 409.851,965 35,975 45.687,976 51.939,977 0.265,978 0.624,979 0.794,980 0.887,981 0.895,982 0.895,983 4.804,984 1.189,985 5.68,986 3.342,987 4.317,988 4.856,989 1.598,990 6.485,991 4.217,992 5.981,993 1.106,994 7.228,995 2.834,996 3.761,997 4.543,998 0.57,999 7.38,1000 3.606,1001 7.274,1002 1,1003 8.879,1004 2.709,1005 5.894,1006 7.059,1007 1.256,1008 10.491,1009 5.702,1010 8.607,1011 0.643,1012 10.595,1013 2.275,1014 6.236,1015 7.695,1016 0.581,1017 12.261,1018 5.994,1019 9.98,1020 0.487,1021 12.354,1022 1.497,1023 7.772,1024 9.619,1025 1.023,1026 14.858,1027 7.498,1028 11.38,1030 14.141,1031 0.772,1032 8.531,1033 10.705,1034 0.515,1035 16.964,1036 8.215,1037 12.802,1038 -0.476,1039 15.949,1041 9.818,1042 12.379,1043 0.84,1044 19.39,1045 9.471,1046 3.079,1047 -0.757,1048 17.772,1049 -1.054,1050 10.771,1051 13.678,1052 0.441,1053 21.628,1054 10.386,1055 3.012,1056 10.31,1057 19.606,1058 -1.675,1059 11.953,1060 15.244,1061 0.689,1062 23.992,1063 11.537,1064 2.505,1065 10.159,1066 21.448,1067 4.474,1068 12.994,1069 16.642,1070 0.373,1071 26.282,1072 12.543,1073 2.094,1074 7.28,1075 23.297,1076 3.862,1077 14.133,1078 18.161,1079 0.564,1080 28.623,1081 13.65,1082 1.833,1083 6.193,1084 25.15,1085 2.829,1086 15.214,1087 19.606,1088 0.314,1089 30.935,1090 14.697,1091 1.546,1092 5.464,1093 27.008,1094 2.547,1095 16.337,1096 21.106,1097 0.461,1098 33.267,1099 15.788,1100 1.495,1101 3.73,1102 28.869,1103 2.319,1104 17.435,1105 22.574,1106 0.264,1107 35.587,1108 16.854,1109 6625,1110 10127,1111 18.781,1112 30.33,1113 40.268,1114 40.242,1115 41.061,1116 39.975,1117 39.981,1118 51.864,1119 5.498,1120 113.131,1121 37.945,1122 5.527,1123 5.297,1124 6.227,1125 5.119,1126 5.079,1127 7.474,1128 1.776,1129 17.069,1130 4.999,1131 6.404,1132 1.491,1133 1.49,1134 1.521,1135 1.481,1136 1.481,1137 1.921,1138 0.204,1139 4.19,1140 1.405,1141 4.114,1142 4.158,1143 4.074,1144 3.999,1145 5.06,1146 4.012,1147 3.95,1148 3.99,1149 3.889,1150 3.845,1151 4.866,1152 3.851,1153 3.72,1154 3.781,1155 3.609,1156 3.546,1157 4.411,1158 3.552,1159 3.406,1160 3.467,1161 3.3,1162 3.271,1163 4.375,1164 3.27,1165 3.249,1166 3.315,1167 3.063,1168 2.97,1169 4.267,1170 2.98,1171 3.13,1172 3.224,1173 3.001,1174 2.941,1175 3.918,1176 2.91,1177 3.111,1178 3.206,1179 2.866,1180 2.886,1181 3.723,1182 2.902,1183 2.86,1184 2.936,1185 2.747,1186 2.697,1187 3.534,1188 2.693,1189 0.168,1190 0.122,1191 0.242,1192 0.15,1193 0.114,1194 4.527,1195 0.166,1196 3.297,1197 0.034,1198 6.535,1199 0.382,1200 4.052,1201 0.111,1202 3.079,1203 4.474,1204 0.916,1205 10.31,1206 2.999,1207 1.918,1208 1.884,1209 2.045,1210 2.068,1211 1.326,1212 2.065,1213 1.877,1214 1.848,1215 1.969,1216 1.995,1217 1.105,1218 1.986,1219 1.709,1220 1.645,1221 1.89,1222 1.897,1223 1.016,1224 1.898,1225 1.496,1226 1.432,1227 1.672,1228 1.704,1229 0.825,1230 1.703,1231 1.197,1232 1.124,1233 1.573,1234 1.512,1235 0.797,1236 1.532,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.574,1242 1.429,1243 1.112,1244 1.036,1245 1.356,1246 1.363,1247 0.436,1248 1.372,1249 0.914,1250 0.85,1251 1.156,1252 1.112,1253 0.308,1254 1.13,1255 4.007,1257 5.313,1258 2.398,1259 6.83,1260 4.727,1261 8.436,1262 6.823,1263 10.086,1265 1.736,1271 5.087,1273 5.492,1276 4.91,1280 28.542,1281 67.266,1282 158.468,1283 201.819,1284 225.329,1285 227.329,1286 227.329,1287 25.377,1288 7.41,1289 44.39,1290 44.39,1291 23,1292 12.398,1293 4.087,1294 3.17,1295 34.074,1296 92,1297 72,1298 0.185,1299 174.133,1300 289.43,1301 416.645,1302 17203,1304 16.355,1305 0.681,1306 0.579,1307 16.355,1308 13.904,1309 11.848,1310 0.439,1311 0.31,1312 8.226,1313 11.36,1314 8.03,1315 6.639,1316 11.848,1317 8.363,1318 10.179,1319 0.275,1320 0.166,1321 10.179,1322 6.149,1323 9.107,1324 0.179,1325 0.093,1326 9.107,1327 4.729,1328 7.794,1329 0.116,1330 0.051,1331 7.794,1332 3.422,1333 6.302,1334 0.078,1335 0.03,1336 6.302,1337 2.407,1338 0.293,1339 74.297,1340 0.231,1341 23.611,1342 0.498,1343 128,1344 325.004,1345 138.872,1346 314.996,1347 444.03,1348 300,1349 152,1350 333.912,1351 164.593,1352 340.52,1353 498.76,1354 320,1355 5} {0 CHEMBL439240,1 1.699,2 5.4,3 3.425,4 11.733,5 63.78,6 9.39,7 0.375,8 3.372,9 3.499,10 3.122,11 2.963,12 4.497,13 2.927,14 3.877,15 4.046,16 3.559,17 3.369,18 4.996,19 3.301,20 4.133,21 4.332,22 3.856,23 3.537,24 5.245,25 3.446,26 4.116,27 4.31,28 3.666,29 3.465,30 5.229,31 3.353,32 4.061,33 4.272,34 3.419,35 3.311,36 5.19,37 3.148,38 3.888,39 4.166,40 2.791,41 2.927,42 4.921,43 2.662,44 3.342,45 3.689,46 1.841,47 2.167,48 4.18,49 1.784,50 1.799,51 2.099,52 0.417,53 0.866,54 2.503,55 0.578,56 0.059,57 0.384,58 3.818,59 2.02,60 7.445,61 2.612,62 0.143,63 0.589,64 8.534,65 3.918,66 14.211,67 5.173,68 0.276,69 0.681,70 18.864,71 5.001,72 27.978,73 6.326,74 0.276,75 0.63,76 16.953,77 4.992,78 26.793,79 6.404,80 0.302,81 0.542,82 19.119,83 4.986,84 30.174,85 6.343,86 0.315,87 0.379,88 21.087,89 4.574,90 35.532,91 5.86,92 0.218,93 0.158,94 17.108,95 3.259,96 24.449,97 4.312,98 0.052,99 0.019,100 4.489,101 0.681,102 5.345,103 0.832,104 18,105 23,106 0.343,107 0.729,108 0.85,109 0.881,110 0.881,111 0.881,112 2.798,113 1.025,114 -4.17,115 -4.11,116 -3.89,119 38.5,120 1,121 1,127 1,140 2,141 1,142 3,157 1,161 1,162 1,163 1,169 2,172 2,173 1,174 2,175 1,176 2,177 1,178 4,182 1,186 1,189 6,193 2,197 5,199 3,201 3,203 2,208 4,211 4,213 2,220 1,222 2,224 1,231 1,235 1,259 191,260 9.87,261 9.87,262 9.87,263 9.87,264 9.87,265 8.753,266 12.055,267 5.609,268 10.231,269 7.789,270 7.789,271 7.789,272 7.789,273 7.789,274 6.159,275 17.253,276 2.542,277 8.531,278 3.001,279 1.087,280 0.491,281 0.337,282 0.337,283 0.337,284 3.436,285 2,288 1,289 1,290 165,291 2,295 62.392,299 53.803,302 0.827,303 14.712,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 32.167,315 81,316 4.534,317 3.597,318 6.848,319 4.162,320 3.215,321 4.196,322 1.257,323 11.309,324 3.037,325 3.843,326 3.084,327 5.701,328 3.374,329 2.5,330 3.172,331 0.533,332 7.439,333 2.139,334 3.386,335 2.556,336 5.21,337 3.055,338 2.102,339 2.648,340 0.123,341 6.241,342 1.992,343 3.277,344 2.278,345 4.983,346 2.865,347 1.958,348 2.44,350 5.671,351 1.708,352 2.676,353 2.038,354 4.239,355 2.317,356 1.402,357 1.706,359 3.592,360 1.238,361 1.596,362 0.901,363 3.038,364 1.414,365 0.453,366 0.482,368 0.779,369 0.427,370 1.421,371 0.671,372 2.869,373 1.007,374 0.249,375 0.287,377 0.511,378 0.151,379 0.987,380 0.256,381 2.626,382 0.676,383 -0.191,384 -0.207,386 -0.474,387 -0.154,388 0.673,389 -0.194,390 2.271,391 0.299,392 -0.599,393 -0.716,395 -1.574,396 -0.499,397 0.347,398 -0.379,399 2,400 0.004,401 -0.916,402 -1.063,404 -2.068,405 -0.72,406 -0.044,407 -0.811,408 1.501,409 -0.468,410 -1.282,411 -1.469,413 -3.243,414 -1.005,415 -0.169,416 -1.095,417 1.254,418 -0.721,419 -1.401,420 -1.704,422 -4.049,423 -1.13,424 -0.5,425 -1.412,426 1.177,427 -0.744,428 -1.688,429 -2.029,431 -4.684,432 -1.576,433 -0.538,434 -1.58,435 1.099,436 -0.868,437 -1.801,438 -2.238,439 -0.331,440 -5.351,441 -1.725,442 -0.663,443 -1.61,444 0.706,445 -1,446 -2,447 -2.505,448 -0.562,449 -6.927,450 -1.882,451 7.629,452 0.509,453 0.456,454 0.03,455 17.75,456 1.183,457 8,458 0.533,459 9.75,460 0.65,461 12.295,462 0.82,463 16.371,464 0.63,465 9.965,466 0.664,467 3.334,468 0.222,469 3.796,470 0.253,471 0.305,473 0.393,479 0.814,480 1.232,481 0.531,482 0.72,483 0.923,484 0.759,485 0.533,486 1.014,487 0.533,488 0.766,489 0.483,490 0.805,491 0.968,492 1.016,493 0.683,494 0.684,495 0.859,496 0.744,497 0.999,498 1.184,499 0.988,500 1.069,501 0.986,502 1.058,503 1.143,504 1.207,505 1.261,506 1.326,507 1.208,508 1.314,509 1.326,510 0.812,511 1.42,512 1.225,513 1.429,514 1.253,515 0.993,516 0.418,517 1.404,518 1.086,519 0.953,520 0.923,521 2.098,522 0.05,523 2.62,524 1.408,525 1.938,526 1.042,527 3.5,529 2,530 1.625,531 1.409,532 0.438,533 0.161,537 1302,538 4792,539 1.955,540 42.3,541 3,542 3,545 3,547 2,550 1.541,551 1.765,552 2.493,553 1.378,557 1,559 44.184,560 1.699,561 3.613,562 4.21,563 4.364,564 4.364,565 4.364,566 1.909,567 3.457,568 3.882,569 2.511,570 263.706,571 6.551,572 2148.67,574 1,576 1,577 122.211,578 1.566,579 3.796,580 0.219,582 0.087,583 0.065,584 0.067,585 0.031,586 0.032,590 0.501,591 1,592 1,593 1.029,594 56.412,595 -0.151,596 0.017,597 -0.014,598 0.089,599 -0.212,600 0.071,601 0.174,602 0.116,603 0.102,604 0.102,605 0.183,606 0.091,607 -0.035,608 0.033,609 0.181,610 0.234,611 0.008,612 0.174,613 -0.032,614 -0.171,615 -0.059,616 -0.136,617 -0.048,618 -0.133,619 -0.093,620 -0.269,621 -0.206,622 -0.356,623 -0.119,624 -0.363,625 -0.201,626 -0.018,627 -0.231,628 -0.192,629 -0.217,630 -0.227,631 0.133,632 0.116,633 0.008,634 0.098,635 0.188,636 0.279,637 -0.43,638 0.323,639 -0.519,640 -0.036,641 -0.382,642 0.234,643 1.34,644 2.039,645 0.667,646 6.516,647 1.014,648 1.133,649 2.941,650 8.648,651 0.713,652 2.833,653 3.178,654 3.466,655 3.738,656 3.951,657 3.892,658 3.784,659 3.611,660 3.497,661 2.944,662 3.448,663 0.667,664 244.14,665 2.833,666 4.369,667 5.231,668 6.129,669 7.013,670 7.915,671 8.804,672 9.706,673 10.597,674 11.498,675 11.5,676 1,680 1,684 1,688 2,693 4,695 6,707 1,713 2,714 26,716 7,717 1,718 16,720 27,721 10,722 6,723 4,724 2,730 2,731 3,732 2,734 1,736 1,740 1,743 2,745 7,746 3,750 1,758 1,759 1,761 1,764 11,765 3,766 3,767 5,768 2,773 3,777 0.5,793 2,797 1,812 1,819 1,823 1,824 2,827 15,828 1,833 1,834 1,837 1,846 2,854 8.5,855 4.819,856 3.361,857 1.612,858 1.612,859 1.274,860 0.974,861 2.977,862 7.501,863 3.045,864 3.651,865 4.186,866 4.735,867 5.249,868 5.396,869 5.543,870 5.696,871 5.795,872 5.295,873 0.75,874 25,875 5.492,876 -0.001,877 2.304,878 7.826,879 10.373,881 8.429,883 2.326,884 34.889,885 0.003,888 94.169,889 45.155,890 67.693,891 78.297,895 45.155,896 172.466,897 67.693,898 8.825,899 35.432,900 18.952,901 18.011,902 29.729,903 1.899,904 94.169,905 78.297,906 94.169,907 112.848,909 78.297,911 70.627,912 23.542,915 61.042,916 33.795,917 96.308,919 94.169,920 67.693,921 123.452,924 94.169,925 17.377,926 27.778,927 18.011,928 127.98,929 94.169,930 67.693,931 123.452,933 0.588,934 0.363,935 0.202,936 0.115,937 12,938 6,939 0.037,940 1,941 1,942 1.2,943 2.566,944 101.04,945 0.2,946 10,947 58.603,951 10.893,952 4.1,953 1.881,955 67.693,956 3.62,961 2.931,963 50.908,964 285.314,965 20,973 4.284,974 0.424,975 26.371,976 29.459,977 0.362,978 0.769,979 0.896,980 0.928,981 0.928,982 0.928,983 4.297,984 -0.191,985 5.252,986 0.511,987 3.85,988 4.331,989 1.469,990 6.116,991 3.676,992 5.526,993 -0.599,994 6.853,995 -0.474,996 3.611,997 4.29,998 0.623,999 7.14,1000 3.295,1001 6.859,1002 -0.916,1003 8.554,1004 -1.574,1005 5.493,1006 6.525,1007 1.562,1008 10.268,1009 5.194,1010 8.225,1011 -1.282,1012 10.311,1013 -2.068,1014 6.019,1015 7.243,1016 1.104,1017 12.104,1018 5.595,1019 9.619,1020 -1.401,1021 12.103,1022 -3.243,1023 7.437,1024 9.019,1025 1.812,1026 14.787,1027 7.026,1028 11.034,1029 -1.688,1030 13.922,1031 -4.049,1032 8.316,1033 10.098,1034 1.569,1035 16.975,1036 7.814,1037 12.467,1038 -1.801,1039 15.76,1040 -4.684,1041 9.565,1042 11.688,1043 2.129,1044 19.498,1045 9.052,1046 3.215,1047 -2,1048 17.615,1049 -5.351,1050 10.606,1051 12.946,1052 2.032,1053 21.83,1054 10.022,1055 2.5,1056 11.309,1057 19.482,1058 -6.927,1059 11.795,1060 14.453,1061 2.489,1062 24.293,1063 11.182,1064 2.102,1065 7.439,1066 21.361,1067 4.196,1068 12.907,1069 15.799,1070 2.494,1071 26.682,1072 12.233,1073 1.958,1074 6.241,1075 23.247,1076 3.172,1077 14.077,1078 17.268,1079 2.879,1080 29.122,1081 13.363,1082 1.402,1083 5.671,1084 25.141,1085 2.648,1086 15.219,1087 18.658,1088 2.956,1089 31.533,1090 14.449,1091 0.453,1092 3.592,1093 27.041,1094 2.44,1095 16.385,1096 20.108,1097 3.29,1098 33.965,1099 15.566,1100 0.249,1101 0.779,1102 28.945,1103 1.706,1104 17.54,1105 21.52,1106 3.417,1107 36.385,1108 16.666,1109 1407,1110 2774,1111 10.057,1112 18.54,1113 23.967,1114 24.739,1115 25.538,1116 23.875,1117 23.757,1118 29.861,1119 3.826,1120 71.084,1121 21.383,1122 5.361,1123 5.597,1124 6.37,1125 5.234,1126 5.215,1127 7.196,1128 2.276,1129 18.48,1130 5.037,1131 8.422,1132 1.498,1133 1.546,1134 1.596,1135 1.492,1136 1.485,1137 1.866,1138 0.239,1139 4.443,1140 1.336,1141 4.002,1142 4.033,1143 4.148,1144 3.931,1145 5.171,1146 3.929,1147 3.562,1148 3.618,1149 3.648,1150 3.426,1151 4.998,1152 3.419,1153 3.365,1154 3.459,1155 3.393,1156 3.123,1157 4.494,1158 3.138,1159 2.941,1160 3.003,1161 3.229,1162 2.837,1163 4.385,1164 2.812,1165 2.853,1166 2.933,1167 3.088,1168 2.67,1169 4.117,1170 2.669,1171 2.557,1172 2.652,1173 2.592,1174 2.329,1175 3.881,1176 2.306,1177 2.306,1178 2.421,1179 2.349,1180 1.896,1181 3.455,1182 1.9,1183 2.103,1184 2.268,1185 2.034,1186 1.73,1187 3.208,1188 1.699,1189 0.283,1190 0.225,1191 0.428,1192 0.26,1193 0.201,1194 4.534,1195 0.262,1196 3.597,1197 0.079,1198 6.848,1199 0.707,1200 4.162,1201 0.19,1202 3.215,1203 4.196,1204 1.257,1205 11.309,1206 3.037,1207 1.949,1208 1.927,1209 2.021,1210 2.057,1211 1.274,1212 2.053,1213 1.553,1214 1.493,1215 1.793,1216 1.715,1217 0.959,1218 1.75,1219 1.286,1220 1.202,1221 1.474,1222 1.58,1223 0.478,1224 1.566,1225 0.922,1226 0.868,1227 1.215,1228 1.148,1229 0.219,1230 1.183,1231 0.775,1232 0.712,1233 0.968,1234 1.034,1235 0.037,1236 1.04,1237 0.539,1238 0.442,1239 0.861,1240 0.794,1242 0.846,1243 0.219,1244 0.069,1245 0.62,1246 0.547,1248 0.576,1249 0.105,1251 0.558,1252 0.514,1254 0.559,1255 3.497,1257 4.828,1259 6.382,1261 8.045,1263 9.764,1265 2.035,1266 12.115,1269 5.666,1271 0.843,1272 2.977,1275 -0.007,1280 17.353,1281 44.184,1282 93.947,1283 109.457,1284 113.457,1285 113.457,1286 113.457,1287 21.206,1288 5.889,1289 50.41,1290 50.41,1291 12,1292 12.021,1293 3,1294 2.322,1295 23.294,1296 31,1297 27,1298 0.409,1299 117.246,1300 198.8,1301 277.841,1302 1985,1303 7.7,1304 11,1305 0.733,1306 0.649,1307 12,1308 9.732,1309 7.13,1310 0.446,1311 0.342,1312 4.731,1313 6.414,1314 4.539,1315 3.765,1316 7.708,1317 5.469,1318 6.496,1319 0.282,1320 0.181,1321 7.2,1322 4.171,1323 5.521,1324 0.178,1325 0.104,1326 6.488,1327 3.229,1328 4.556,1329 0.111,1330 0.053,1331 5.106,1332 2.155,1333 3.751,1334 0.074,1335 0.03,1336 4.258,1337 1.506,1338 0.581,1339 50.237,1340 0.315,1341 14.503,1342 1.32,1343 78,1344 223.697,1345 114.34,1346 281.715,1347 366.47,1348 260,1349 93,1350 227.289,1351 127.011,1352 250.38,1353 370.72,1354 236,1355 5.894} {0 CHEMBL440008,1 1.321,2 14.229,3 5.28,4 27.882,5 143.107,6 6.303,7 0.244,8 4.406,9 4.545,10 3.859,11 3.966,12 5.233,13 3.907,14 5.063,15 5.26,16 4.279,17 4.481,18 5.818,19 4.388,20 5.434,21 5.68,22 4.295,23 4.674,24 6.145,25 4.52,26 5.512,27 5.805,28 4.158,29 4.583,30 6.22,31 4.403,32 5.317,33 5.6,34 4.093,35 4.408,36 6.103,37 4.26,38 5.193,39 5.448,40 4.064,41 4.382,42 5.984,43 4.248,44 5.229,45 5.495,46 4.017,47 4.432,48 5.89,49 4.267,50 5.241,51 5.531,52 3.857,53 4.365,54 5.88,55 4.164,56 0.116,57 1.13,58 18.758,59 7.646,60 9.411,61 11.027,62 0.283,63 2.021,64 36.349,65 13.881,66 22.275,67 20.551,68 0.399,69 2.643,70 52.319,71 19.958,72 33.02,73 29.481,74 0.468,75 2.601,76 56.678,77 20.285,78 47.312,79 30.256,80 0.455,81 2.179,82 47.141,83 16.118,84 47.692,85 24.118,86 0.395,87 2.03,88 41.703,89 14.382,90 43.786,91 21.552,92 0.303,93 2.139,94 42.472,95 15.598,96 26.953,97 23.583,98 0.305,99 2.043,100 42.659,101 16.312,102 31.54,103 24.245,104 2,105 61,106 0.205,107 0.503,108 0.705,109 0.799,110 0.799,111 0.799,112 3.588,113 1.04,114 -5.65,115 -5.52,116 -5.15,119 40,121 10,122 3,123 1,125 5,134 1,135 1,140 3,141 3,149 1,150 1,156 1,166 1,169 22,172 6,174 1,176 4,178 29,181 1,182 6,186 8,189 23,193 8,197 5,199 13,203 11,206 1,208 5,211 8,215 8,220 4,222 11,226 4,231 4,233 12,237 5,240 1,242 1,244 18,249 2,253 1,254 1,256 18,259 2209,260 24.245,261 24.245,262 24.245,263 24.245,264 24.245,265 22.778,266 23.742,267 13.942,268 24.499,269 20.305,270 20.305,271 20.305,272 20.305,273 20.305,274 17.965,275 27.684,276 6.698,277 20.686,278 4.908,279 2.981,280 1.677,281 1.067,282 1.067,283 1.067,284 4.32,289 1,290 1161,291 3.742,294 190.324,295 623.531,297 416.697,298 154.481,302 2.407,303 20.996,306 0.75,307 0.67,308 1,309 1,310 0.5,311 1,312 1,313 0.85,314 73,315 498,316 4.603,317 4.027,318 7.653,319 4.555,320 3.552,321 4.515,322 1.886,323 14.076,324 3.56,325 4.568,326 3.202,327 6.566,328 4.109,329 3.12,330 3.697,331 0.8,332 10.433,333 3.087,334 4.113,335 3.03,336 6.101,337 3.775,338 2.789,339 3.553,340 0.657,341 8.909,342 2.753,343 3.713,344 2.944,345 5.761,346 3.644,347 2.643,348 2.776,350 8.1,351 2.643,352 3.562,353 2.832,354 5.384,355 3.467,356 2.536,357 2.737,359 7.064,360 2.361,361 3.444,362 2.561,363 5.366,364 3.322,365 2.363,366 2.517,368 7.016,369 2.258,370 3.329,371 2.321,372 5.105,373 3,374 2,375 2.487,377 6.076,378 2,379 3.014,380 2.145,381 5.061,382 3,383 2,384 2.115,386 6.076,387 2,388 3,389 2,390 5.061,391 2.964,392 1.979,393 2,395 5.941,396 1.947,397 3,398 2,399 4.681,400 2.585,401 1.589,402 2,404 4.496,405 1.576,406 2.745,407 1.646,408 4.395,409 2.359,410 1.365,411 1.786,413 3.87,414 1.349,415 2.665,416 1.401,417 4.102,418 2.313,419 1.319,420 1.628,422 3.343,423 1.306,424 2.345,425 1.396,426 3.52,427 2.147,428 1.163,429 1.329,431 2.741,432 1.141,433 2.137,434 1.235,435 3.414,436 1.984,437 1,438 1.048,440 2.275,441 0.983,442 2.058,443 0.858,444 3.396,445 1.73,446 0.77,447 0.997,449 1.806,450 0.738,451 16.933,452 0.484,453 0.883,454 0.025,455 33.75,456 0.964,457 11,458 0.314,459 22.75,460 0.65,461 43.444,462 1.241,463 38.867,464 0.518,465 21.584,466 0.617,467 5.168,468 0.148,469 11.965,470 0.342,471 0.02,472 0.03,473 0.313,479 0.764,480 1.263,481 0.937,482 1.113,483 0.533,484 1.048,485 0.911,486 1.142,487 1.024,488 1.054,489 0.51,490 1.042,491 0.912,492 1.171,493 1.123,494 1.184,495 0.802,496 1.171,497 1.221,498 0.979,499 0.967,500 0.959,501 1.52,502 0.949,503 1.508,504 0.962,505 0.955,506 0.9,507 1.896,508 0.891,509 1.678,510 1.038,511 1.098,512 0.952,513 1.936,514 0.979,515 0.889,516 1.098,517 1.096,518 1.085,519 0.484,520 1.096,521 0.682,522 1.033,523 1.014,524 1.082,525 0.503,526 1.074,527 8.5,528 0.169,529 3.778,530 2.264,531 1.654,532 1.146,533 0.568,534 0.451,535 0.374,536 0.158,537 23163,538 37209,539 2.272,540 53.3,541 15,542 14,543 1,545 2,547 8,550 1.762,551 2.199,552 3.76,553 0.077,559 99.078,560 1.321,561 3.248,562 4.552,563 5.162,564 5.162,565 5.162,566 3.237,567 4.357,568 5.102,569 4.005,570 2382.94,571 8.923,572 38432.6,577 467.161,578 1.239,579 5.086,580 0.207,581 0.005,582 0.062,583 0.04,584 0.034,585 0.025,586 0.012,587 0.01,588 0.011,589 0.005,590 0.412,591 0.33,592 0.63,593 0.293,594 192.041,595 0.093,596 0.005,597 0.094,598 0.042,599 0.051,600 0.062,601 0.013,602 0.033,603 -0.005,604 0.022,605 0.074,606 0.011,607 -0.005,608 -0.123,609 -0.132,610 -0.156,611 0.026,612 -0.154,613 -0.032,614 -0.038,615 0.026,617 -0.068,618 0.015,619 -0.024,620 0.006,621 0.067,622 0.048,623 -0.055,624 0.061,625 -0.188,626 -0.007,627 -0.064,628 0.026,629 -0.168,630 -0.007,631 -0.086,632 -0.056,633 -0.112,634 -0.089,635 -0.033,636 -0.099,637 0.03,638 -0.069,639 -0.054,640 -0.094,641 0.055,642 -0.082,643 1.343,644 6.447,645 0.857,646 40.632,647 0.982,648 1.129,649 4.422,650 19.554,651 0.642,652 3.738,653 4.127,654 4.454,655 4.787,656 5.05,657 5.204,658 5.389,659 5.493,660 5.497,661 5.587,662 8.544,663 0.59,664 472.74,665 3.738,666 5.323,667 6.209,668 7.122,669 8.02,670 8.938,671 9.842,672 10.763,673 11.671,674 12.595,675 5.3,678 2,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 75,716 12,717 1,718 41,720 81,721 30,722 8,723 3,724 3,725 2,730 7,731 12,737 1,739 1,740 9,741 3,743 10,745 11,746 19,747 3,750 2,755 1,757 1,759 2,764 40,765 4,766 2,767 5,773 4,776 1,777 0.571,778 1,788 1,789 1,792 2,793 6,795 3,796 1,810 1,811 1,815 1,819 4,827 35,833 15,834 1,837 3,838 2,839 1,847 1.3,850 1,854 15.917,855 12.983,856 7.292,857 5.203,858 2.433,859 1.265,860 1.02,861 5.737,862 11.625,863 3.892,864 4.446,865 4.988,866 5.53,867 5.999,868 6.364,869 6.786,870 7.136,871 7.263,872 7.522,873 1,874 57,875 13.154,877 5.92,878 7.321,879 26.98,881 25.063,883 1.821,884 63.75,888 447.302,889 101.805,890 40.8,892 25.145,895 101.805,896 472.447,897 40.8,899 53.762,900 46.952,901 29.85,902 35.041,903 13.915,904 435.531,906 447.302,907 142.605,908 25.145,911 353.133,912 119.314,915 76.674,916 56.455,917 9.476,919 447.302,920 65.945,921 101.805,924 447.302,925 54.852,926 53.079,927 34.674,928 25.145,929 447.302,930 65.945,931 101.805,933 0.597,934 0.353,935 0.196,936 0.103,937 35,938 13,939 0.074,940 6,941 7,942 1.333,943 4.814,944 353.349,945 0.467,946 26,947 161.26,951 22.421,952 8.955,953 4.249,954 2.617,955 49.159,956 9.104,958 3.483,961 2.779,963 34.674,964 615.051,965 48,970 13.447,972 2.335,974 1.74,975 73.639,976 84.676,977 0.212,978 0.521,979 0.731,980 0.829,981 0.829,982 0.829,983 5.207,984 2,985 6.225,986 6.076,987 4.812,988 5.133,989 2.146,990 7.102,991 4.781,992 6.39,993 1.979,994 7.821,995 6.076,996 4.511,997 4.987,998 1.668,999 8.286,1000 4.479,1001 7.71,1002 1.589,1003 9.526,1004 5.941,1005 6.503,1006 7.24,1007 2.904,1008 11.388,1009 6.453,1010 9.06,1011 1.365,1012 11.301,1013 4.496,1014 7.04,1015 7.972,1016 2.996,1017 13.492,1018 6.998,1019 10.449,1020 1.319,1021 13.127,1022 3.87,1023 8.517,1024 9.738,1025 3.98,1026 16.207,1027 8.465,1028 11.864,1029 1.163,1030 14.992,1031 3.343,1032 9.439,1033 10.879,1034 4.333,1035 18.666,1036 9.4,1037 13.3,1038 1,1039 16.89,1040 2.741,1041 10.738,1042 12.468,1043 5.164,1044 21.304,1045 10.696,1046 3.552,1047 0.77,1048 18.813,1049 2.275,1050 11.837,1051 13.798,1052 5.648,1053 23.883,1054 11.807,1055 3.12,1056 14.076,1057 20.757,1058 1.806,1059 13.082,1060 15.323,1061 6.391,1062 26.513,1063 13.054,1064 2.789,1065 10.433,1066 22.718,1067 4.515,1068 14.261,1069 16.741,1070 6.945,1071 29.133,1072 14.242,1073 2.643,1074 8.909,1075 24.694,1076 3.697,1077 15.495,1078 18.244,1079 7.638,1080 31.767,1081 15.481,1082 2.536,1083 8.1,1084 26.68,1085 3.553,1086 16.712,1087 19.704,1088 8.229,1089 34.401,1090 16.705,1091 2.363,1092 7.064,1093 28.676,1094 2.776,1095 17.95,1096 21.202,1097 8.895,1098 37.04,1099 17.949,1100 2,1101 7.016,1102 30.679,1103 2.737,1104 19.185,1105 22.683,1106 9.506,1107 39.679,1108 19.19,1109 20232,1110 25779,1111 28.72,1112 48.182,1113 63.076,1114 64.028,1115 63.479,1116 62.304,1117 62.313,1118 72.42,1119 6.686,1120 188.882,1121 61.29,1122 5.603,1123 6.027,1124 7.283,1125 5.595,1126 5.552,1127 7.515,1128 3.272,1129 21.494,1130 5.56,1131 7.784,1132 1.538,1133 1.562,1134 1.548,1135 1.52,1136 1.52,1137 1.766,1138 0.163,1139 4.607,1140 1.495,1141 4.157,1142 4.192,1143 4.108,1144 4.079,1145 7.428,1146 4.082,1147 4.074,1148 4.114,1149 3.982,1150 3.993,1151 4.966,1152 3.984,1153 3.851,1154 3.918,1155 3.747,1156 3.711,1157 4.519,1158 3.712,1159 3.821,1160 3.884,1161 3.704,1162 3.667,1163 4.417,1164 3.666,1165 3.499,1166 3.548,1167 3.423,1168 3.345,1169 4.335,1170 3.347,1171 3.402,1172 3.453,1173 3.279,1174 3.258,1175 4.205,1176 3.262,1177 3.239,1178 3.319,1179 3.088,1180 3.096,1181 3.894,1182 3.073,1183 3.228,1184 3.304,1185 3.039,1186 3.096,1187 3.795,1188 3.073,1189 0.112,1190 0.098,1191 0.187,1192 0.111,1193 0.087,1194 4.603,1195 0.11,1196 4.027,1197 0.046,1198 7.653,1199 0.343,1200 4.555,1201 0.087,1202 3.552,1203 4.515,1204 1.886,1205 14.076,1206 3.56,1207 2.071,1208 2.033,1209 2.236,1210 2.18,1211 1.704,1212 2.2,1213 1.993,1214 1.97,1215 2.088,1216 2.073,1217 1.331,1218 2.08,1219 1.748,1220 1.699,1221 1.923,1222 1.917,1223 1.229,1224 1.92,1225 1.666,1226 1.603,1227 1.86,1228 1.872,1229 1.211,1230 1.872,1231 1.577,1232 1.507,1233 1.853,1234 1.751,1235 1.068,1236 1.793,1237 1.427,1238 1.355,1239 1.639,1240 1.662,1241 0.947,1242 1.659,1243 1.386,1244 1.344,1245 1.579,1246 1.591,1247 0.947,1248 1.583,1249 1.262,1250 1.192,1251 1.562,1252 1.445,1253 0.941,1254 1.489,1255 4.419,1257 5.79,1258 3.045,1259 7.363,1260 5.283,1261 9.038,1262 7.273,1263 10.769,1271 17.757,1272 3.366,1275 2.426,1276 4.763,1277 -0.066,1280 44.283,1281 99.078,1282 243.577,1283 341.387,1284 387.122,1285 387.122,1286 387.122,1287 53.196,1288 9.192,1289 51.37,1290 51.37,1291 40,1292 13.104,1293 3.7,1294 3,1295 43.593,1296 183,1297 166,1298 0.114,1299 260.396,1300 456.19,1301 627.126,1302 162749,1304 23.407,1305 0.669,1306 0.601,1307 23.407,1308 21.028,1309 17.133,1310 0.418,1311 0.347,1312 14.105,1313 16.732,1314 13.816,1315 11.288,1316 17.133,1317 14.213,1318 16.26,1319 0.267,1320 0.204,1321 16.26,1322 12.437,1323 14.399,1324 0.169,1325 0.118,1326 14.399,1327 10.023,1328 12.842,1329 0.108,1330 0.072,1331 12.842,1332 8.554,1333 10.407,1334 0.067,1335 0.041,1336 10.407,1337 6.378,1338 0.185,1339 105.462,1340 0.187,1341 32.733,1342 0.298,1343 204,1344 385.691,1345 214.152,1346 381.961,1347 543.55,1348 362,1349 248,1350 416.172,1351 259.817,1352 425.114,1353 630.87,1354 403,1355 7.538} {0 CHEMBL44054,1 1.205,2 7.263,3 4.202,4 17.658,5 81.843,6 5.963,7 0.476,8 3.819,9 3.966,10 3.213,11 3.371,12 4.68,13 3.298,14 4.421,15 4.641,16 3.573,17 3.812,18 5.164,19 3.709,20 4.679,21 4.928,22 3.535,23 3.966,24 5.389,25 3.803,26 4.781,27 5.069,28 3.388,29 3.945,30 5.431,31 3.736,32 4.693,33 5.011,34 3.336,35 3.795,36 5.286,37 3.596,38 4.435,39 4.678,40 3.321,41 3.697,42 5.181,43 3.543,44 4.508,45 4.794,46 2.942,47 3.607,48 5.172,49 3.383,50 4.381,51 4.731,52 2.67,53 3.354,54 4.868,55 3.091,56 0.058,57 0.618,58 10.794,59 4.274,60 7.249,61 6.345,62 0.128,63 1.039,64 19.313,65 7.228,66 11.103,67 10.932,68 0.145,69 1.256,70 24.351,71 9.686,72 16.644,73 14.345,74 0.146,75 1.293,76 26.223,77 10.626,78 19.26,79 15.659,80 0.164,81 1.144,82 23.716,83 9.388,84 16.161,85 13.896,86 0.125,87 0.999,88 19.262,89 7.117,90 14.571,91 10.836,92 0.162,93 0.992,94 20.314,95 7.11,96 16.52,97 11.01,98 0.098,99 0.772,100 16.837,101 6.71,102 10.889,103 9.954,104 11,105 30,106 0.213,107 0.552,108 0.801,109 0.837,110 0.837,111 0.837,112 3.011,113 1.064,114 -4.27,115 -4.21,116 -3.97,119 39.5,120 2,121 3,122 1,124 1,125 1,127 1,140 3,141 3,149 1,150 1,169 10,172 3,176 3,178 12,182 1,186 3,189 13,193 1,197 1,199 10,203 1,206 1,208 2,211 6,215 2,220 3,222 5,226 2,233 4,237 2,244 4,256 2,259 401,260 12.723,261 12.723,262 12.723,263 12.723,264 12.723,265 11.618,266 14.755,267 7.348,268 12.887,269 10.344,270 10.344,271 10.344,272 10.344,273 10.344,274 8.604,275 14.295,276 3.464,277 10.604,278 4.222,279 2.313,280 0.907,281 0.704,282 0.704,283 0.704,284 3.685,288 1,289 1,290 295,291 2.646,294 85.139,295 44.826,298 69.419,302 1.224,303 6.537,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 39,315 138,316 4.562,317 3.247,318 6.572,319 4.113,320 3.126,321 4.508,322 0.8,323 10.454,324 3.087,325 3.901,326 3.042,327 6.045,328 3.763,329 2.808,330 3.256,332 8.653,333 2.694,334 3.785,335 2.827,336 5.862,337 3.582,338 2.594,339 2.868,341 7.963,342 2.551,343 3.316,344 2.121,345 5.106,346 2.927,347 1.947,348 2.594,350 5.902,351 1.907,352 2.777,353 1.458,354 4.25,355 2.365,356 1.392,357 1.886,359 3.774,360 1.353,361 2.5,362 1.38,363 4.004,364 2.275,365 1.301,366 1.5,368 3.29,369 1.266,370 2.303,371 1.202,372 3.758,373 2.112,374 1.134,375 1.284,377 2.767,378 1.106,379 2.124,380 1.106,381 3.416,382 2.048,383 1.064,384 1.116,386 2.378,387 1.045,388 2.005,389 0.705,390 3.229,391 1.598,392 0.635,393 0.855,395 1.54,396 0.61,397 1.034,398 -0.01,399 2.751,400 0.83,401 -0.153,402 -0.172,404 -0.396,405 -0.15,406 0.709,407 -0.405,408 2.33,409 0.363,410 -0.609,411 -0.704,413 -1.442,414 -0.587,415 0.559,416 -0.678,417 2,418 0.166,419 -0.819,420 -1,422 -2,423 -0.805,424 0.189,425 -0.917,426 1.948,428 -1,429 -1.032,431 -2.383,432 -0.968,434 -1,435 1.603,436 -0.033,437 -1,438 -1.326,440 -2.789,441 -1,442 -0.127,443 -1.242,444 1.562,445 -0.476,446 -1.437,447 -1.569,449 -3.858,450 -1.377,451 9.3,452 0.489,453 0.524,454 0.028,455 19.75,456 1.039,457 8,458 0.421,459 11.75,460 0.618,461 18.208,462 0.958,463 21.3,464 0.495,465 11,466 0.579,467 3.369,468 0.177,469 5.779,470 0.304,471 0.161,473 0.366,479 1.121,480 1.371,481 1.035,482 1.172,483 1.191,484 1.111,485 1.426,486 1.045,487 0.993,488 0.937,489 0.808,490 0.938,491 1.127,492 1.113,493 1.143,494 1.132,495 0.948,496 1.137,497 0.806,498 1.071,499 1.043,500 1.099,501 1.149,502 1.088,503 0.588,504 0.817,505 0.741,506 0.803,507 0.777,508 0.785,509 1.334,510 1.339,511 1.196,512 1.235,513 1.181,514 1.212,515 1.891,516 1.11,517 1.399,518 1.178,519 1.822,520 1.244,521 0.589,522 0.776,523 0.755,524 0.796,525 0.623,526 0.787,527 4,529 2.667,530 1.299,531 0.763,532 0.66,533 0.345,534 0.172,535 0.147,536 0.049,537 3149,538 5019,539 2.081,540 55.8,541 7,542 9,543 1,545 1,547 6,550 1.605,551 1.932,552 2.904,553 -0.404,555 1,559 51.803,560 1.205,561 3.113,562 4.519,563 4.722,564 4.722,565 4.722,566 2.249,567 3.722,568 4.221,569 3.043,570 520.423,571 7.197,572 5066.95,574 1,576 1,577 233.329,578 1.462,579 4.171,580 0.19,582 0.089,583 0.048,584 0.035,585 0.03,586 0.016,587 0.014,588 0.015,589 0.008,590 0.446,591 0.83,592 1,593 0.868,594 81.453,595 0.072,596 -0.112,597 0.071,598 -0.012,599 -0.04,600 0.022,601 -0.068,602 0.106,603 0.073,604 0.114,605 0.139,606 0.104,607 -0.13,608 -0.052,609 -0.133,610 -0.097,611 0.017,612 -0.112,613 -0.024,614 -0.106,615 -0.08,616 -0.102,617 -0.134,618 -0.095,619 0.249,620 0.098,621 0.208,622 0.151,623 0.126,624 0.172,625 -0.067,626 -0.253,627 -0.163,628 -0.221,629 -0.036,630 -0.202,631 -0.4,632 -0.08,633 -0.387,634 -0.245,635 -0.527,636 -0.303,637 0.108,638 0.063,639 0.156,640 0.123,641 0.159,642 0.139,643 0.735,644 0.925,645 0.737,646 12.321,647 0.975,648 1.129,649 3.039,650 9.234,651 0.637,652 3.091,653 3.434,654 3.714,655 3.951,656 4.094,657 4.22,658 4.331,659 4.394,660 4.304,661 4.234,662 4.687,663 0.578,664 256.43,665 3.091,666 4.635,667 5.493,668 6.375,669 7.253,670 8.14,671 9.025,672 9.914,673 10.803,674 11.693,675 4.7,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 43,716 10,717 1,718 21,720 45,721 17,722 8,723 3,724 3,730 3,731 4,736 2,740 3,743 4,745 8,746 9,747 1,761 1,764 24,765 1,766 1,767 2,773 2,777 0.667,788 1,789 1,792 2,793 1,796 1,815 1,819 2,823 3,827 19,833 4,837 2,838 1,854 9.833,855 8.45,856 4.111,857 2.874,858 2.079,859 1.313,860 0.977,861 3.465,862 8.711,863 3.296,864 3.897,865 4.507,866 5.104,867 5.595,868 5.966,869 6.343,870 6.648,871 6.515,872 6.564,873 0.8,874 27,875 7.065,877 2.947,878 7.281,879 14.386,881 12.341,883 1.781,884 33.833,885 0.005,888 270.735,889 84.32,890 19.91,895 84.32,896 270.735,897 19.91,898 26.047,899 9.709,900 37.476,902 28.854,903 13.915,904 258.964,906 270.735,907 104.23,911 200.109,912 70.627,915 47.27,916 56.961,919 270.735,920 19.91,921 84.32,924 270.735,925 20.798,926 66.647,927 16.786,929 270.735,930 19.91,931 84.32,933 0.592,934 0.347,935 0.176,936 0.088,937 16,938 7,939 0.067,940 3,941 1,942 1.143,943 3.137,944 142.278,945 0.143,946 14,947 78.711,951 12.894,952 5.105,953 2.474,954 2.701,955 3.124,956 9.059,958 3.425,961 2.921,963 16.786,964 374.966,965 26,975 41.923,976 48.564,977 0.222,978 0.574,979 0.833,980 0.87,981 0.87,982 0.87,983 4.549,984 1.064,985 5.493,986 2.767,987 4.111,988 4.58,989 0.673,990 6.315,991 4.065,992 5.745,993 0.635,994 7.066,995 2.378,996 3.761,997 4.46,998 0.325,999 7.239,1000 3.693,1001 7.054,1002 -0.153,1003 8.737,1004 1.54,1005 5.72,1006 6.804,1007 0.379,1008 10.317,1009 5.634,1010 8.403,1011 -0.609,1012 10.464,1013 -0.396,1014 6.196,1015 7.574,1016 0.268,1017 12.058,1018 6.086,1019 9.788,1020 -0.819,1021 12.226,1022 -1.442,1023 7.63,1024 9.411,1025 0.239,1026 14.638,1027 7.506,1028 11.197,1029 -1,1030 14.011,1031 -2,1032 8.459,1033 10.584,1034 0.188,1035 16.709,1036 8.314,1037 12.626,1038 -1,1039 15.812,1040 -2.383,1041 9.692,1042 12.223,1043 0.156,1044 19.12,1045 9.535,1046 3.126,1047 -1.437,1048 17.626,1049 -2.789,1050 10.676,1051 13.582,1052 0.125,1053 21.334,1054 10.501,1055 2.808,1056 10.454,1057 19.448,1058 -3.858,1059 11.831,1060 15.14,1061 0.102,1062 23.689,1063 11.644,1064 2.594,1065 8.653,1066 21.277,1067 4.508,1068 12.886,1069 16.582,1070 0.082,1071 25.967,1072 12.684,1073 1.947,1074 7.963,1075 23.111,1076 3.256,1077 14.013,1078 18.109,1079 0.066,1080 28.305,1081 13.8,1082 1.392,1083 5.902,1084 24.951,1085 2.868,1086 15.101,1087 19.587,1088 0.054,1089 30.615,1090 14.875,1091 1.301,1092 3.774,1093 26.794,1094 2.594,1095 16.22,1096 21.1,1097 0.043,1098 32.951,1099 15.984,1100 1.134,1101 3.29,1102 28.641,1103 1.886,1104 17.325,1105 22.594,1106 0.035,1107 35.276,1108 17.078,1109 3107,1110 3993,1111 13.929,1112 27.387,1113 32.259,1114 31.983,1115 33.057,1116 31.995,1117 32.001,1118 39.735,1119 1.6,1120 93.442,1121 31.237,1122 5.495,1123 5.247,1124 6.09,1125 5.141,1126 5.126,1127 7.508,1128 1.2,1129 17.24,1130 5.087,1131 9.078,1132 1.536,1133 1.523,1134 1.574,1135 1.524,1136 1.524,1137 1.892,1138 0.076,1139 4.45,1140 1.487,1141 4.145,1142 4.18,1143 4.1,1144 4.068,1145 4.96,1146 4.072,1147 3.854,1148 3.92,1149 3.734,1150 3.709,1151 4.39,1152 3.706,1153 3.651,1154 3.714,1155 3.523,1156 3.527,1157 4.338,1158 3.518,1159 3.285,1160 3.352,1161 3.121,1162 3.167,1163 3.992,1164 3.147,1165 3.136,1166 3.249,1167 2.897,1168 2.9,1169 3.769,1170 2.877,1171 3.075,1172 3.167,1173 2.874,1174 2.874,1175 3.693,1176 2.867,1177 2.874,1178 3.009,1179 2.68,1180 2.724,1181 3.467,1182 2.705,1183 2.849,1184 2.921,1185 2.499,1186 2.618,1187 3.43,1188 2.57,1189 0.217,1190 0.155,1191 0.313,1192 0.196,1193 0.149,1194 4.562,1195 0.215,1196 3.247,1197 0.038,1198 6.572,1199 0.498,1200 4.113,1201 0.147,1202 3.126,1203 4.508,1204 0.8,1205 10.454,1206 3.087,1207 1.979,1208 1.956,1209 2.086,1210 2.053,1211 1.337,1212 2.065,1213 1.711,1214 1.658,1215 1.916,1216 1.88,1217 1.247,1218 1.89,1219 1.557,1220 1.489,1221 1.829,1222 1.767,1223 1.119,1224 1.795,1225 1.553,1226 1.479,1227 1.796,1228 1.748,1229 0.953,1230 1.77,1231 1.402,1232 1.331,1233 1.626,1234 1.608,1235 0.746,1236 1.624,1237 1.015,1238 0.92,1239 1.417,1240 1.278,1241 0.503,1242 1.324,1243 0.934,1244 0.804,1245 1.387,1246 1.239,1247 0.469,1248 1.308,1249 0.885,1250 0.803,1251 1.193,1252 1.102,1253 0.343,1254 1.142,1255 3.761,1257 5.094,1258 3.045,1259 6.605,1260 5.352,1261 8.198,1262 7.38,1263 9.838,1265 6.78,1271 5.121,1275 1.322,1276 2.505,1280 24.838,1281 51.803,1282 133.864,1283 194.31,1284 203.065,1285 203.065,1286 203.065,1287 22.193,1288 6.632,1289 19.03,1290 19.03,1291 16,1292 12.222,1293 3.459,1294 2.585,1295 27.745,1296 53,1297 44,1298 0.265,1299 153.539,1300 255.22,1301 366.395,1302 5737,1304 13.405,1305 0.706,1306 0.644,1307 13.405,1308 12.24,1309 9.148,1310 0.436,1311 0.355,1312 7.398,1313 8.973,1314 7.081,1315 5.946,1316 9.148,1317 7.45,1318 8.482,1319 0.283,1320 0.208,1321 8.482,1322 6.254,1323 7.19,1324 0.18,1325 0.115,1326 7.19,1327 4.585,1328 5.74,1329 0.113,1330 0.063,1331 5.74,1332 3.215,1333 4.216,1334 0.071,1335 0.034,1336 4.216,1337 2.02,1338 0.402,1339 56.001,1340 0.268,1341 18.729,1342 0.769,1343 102,1344 183.978,1345 105.802,1346 187.74,1347 270.14,1348 178,1349 121,1350 209.085,1351 125.496,1352 218.222,1353 318.49,1354 205,1355 9.538} {0 CHEMBL441095,1 1.504,2 14.581,3 1.778,4 3.162,5 122.096,6 6.928,7 0.353,8 4.197,9 4.327,10 3.699,11 3.7,12 5.231,13 3.674,14 4.774,15 4.964,16 4.049,17 4.112,18 5.79,19 4.061,20 5.054,21 5.269,22 4.136,23 4.311,24 6.017,25 4.224,26 5.147,27 5.374,28 4.029,29 4.335,30 6.088,31 4.203,32 5.183,33 5.462,34 3.892,35 4.266,36 5.954,37 4.098,38 5.078,39 5.368,40 3.821,41 4.112,42 5.828,43 3.964,44 4.895,45 5.136,46 3.816,47 4.037,48 5.806,49 3.923,50 4.915,51 5.16,52 3.677,53 4.035,54 5.799,55 3.883,56 0.036,57 0.899,58 13.787,59 5.538,60 9.907,61 7.729,62 0.329,63 1.446,64 26.434,65 9.13,66 35.981,67 13.149,68 0.356,69 1.788,70 35.587,71 12.781,72 47.499,73 18.1,74 0.401,75 1.874,76 39.403,77 14.376,78 64.127,79 20.458,80 0.328,81 1.846,82 41.759,83 14.781,84 53.281,85 21.961,86 0.465,87 1.631,88 38.361,89 12.443,90 49.938,91 18.79,92 0.549,93 1.431,94 31.347,95 10.23,96 49.285,97 15.012,98 0.277,99 1.448,100 31.503,101 11.06,102 51.127,103 16.112,104 22,105 47,106 0.244,107 0.562,108 0.748,109 0.84,110 0.848,111 0.848,112 3.471,113 0.961,114 -3.16,115 -3.16,116 -3.03,119 39.3,121 2,124 1,125 6,127 1,140 7,141 4,142 1,156 2,161 1,162 1,163 1,169 11,172 8,173 1,174 2,176 2,178 13,180 1,181 1,182 8,186 4,189 9,191 2,192 1,193 8,197 4,199 4,201 2,203 8,208 2,211 1,214 1,215 5,217 1,218 1,225 2,226 4,229 1,231 1,233 2,237 2,244 2,248 2,249 5,251 1,252 2,256 3,259 1649,260 21.093,261 21.093,262 21.093,263 21.093,264 21.093,265 19.459,266 28.726,267 12.297,268 21.488,269 16.675,270 16.675,271 16.675,272 16.675,273 16.675,274 14.03,275 35.558,276 5.702,277 17.225,278 4.426,279 2.461,280 1.318,281 0.746,282 0.701,283 0.701,284 4.169,288 1,289 1,290 973,291 3.606,295 389.964,299 151.427,302 2.239,303 28.238,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 67,315 452,316 4.389,317 3.565,318 6.531,319 4.068,320 3.081,321 4.01,322 1.151,323 10.3,324 3.042,325 4.212,326 3.501,327 6.162,328 3.876,329 2.912,330 3.787,331 1.058,332 9.107,333 2.831,334 3.965,335 3.376,336 5.995,337 3.686,338 2.694,339 3.294,340 0.98,341 8.455,342 2.668,343 3.899,344 3.135,345 5.889,346 3.646,347 2.662,348 3.178,349 0.8,350 8.075,351 2.585,352 3.488,353 2.736,354 5.346,355 3.333,356 2.395,357 2.532,358 0.8,359 6.939,360 2.242,361 3.19,362 2.47,363 5.149,364 2.98,365 2.013,366 2.277,368 6.07,369 1.939,370 2.94,371 2.111,372 4.416,373 2.608,374 1.632,375 2.026,377 4.333,378 1.583,379 2.915,380 1.98,381 4.187,382 2.558,383 1.592,384 1.98,386 3.846,387 1.53,388 2.647,389 1.796,390 4.106,391 2.293,392 1.327,393 1.651,395 3.369,396 1.27,397 2.517,398 1.532,399 3.729,400 2.141,401 1.143,402 1.5,404 2.764,405 1.129,406 2.5,407 1.173,408 3.444,409 2,410 1.012,411 1.478,413 2.383,414 1,415 2.21,416 1.146,417 3.414,418 1.98,419 1,420 1.176,422 2.275,423 0.972,424 2,425 1.09,426 3.414,427 1.967,428 1,429 1,431 2.275,432 0.965,433 1.664,434 1,435 3.157,436 1.544,437 0.58,438 0.619,440 1.379,441 0.557,442 1.471,443 0.768,444 2.625,445 1.185,446 0.202,447 0.236,449 0.274,450 0.196,451 14.6,452 0.471,453 0.712,454 0.023,455 35.75,456 1.153,457 15.5,458 0.5,459 20.25,460 0.653,461 28.715,462 0.926,463 34.6,464 0.567,465 27.624,466 0.891,467 7.196,468 0.232,469 7.85,470 0.253,471 0.107,473 0.329,479 0.797,480 1.403,481 0.857,482 1.164,483 0.629,484 1.032,485 1.005,486 1.034,487 0.965,488 0.945,489 0.517,490 0.935,491 1.053,492 1.01,493 1.029,494 1.032,495 0.762,496 1.025,497 0.993,498 1.168,499 1.16,500 1.226,501 1.001,502 1.228,503 0.674,504 1.082,505 0.931,506 1.096,507 0.611,508 1.063,509 0.8,510 0.889,511 0.859,512 0.882,513 0.561,514 0.879,515 1.003,516 0.955,517 1.07,518 0.977,519 0.834,520 1.022,521 0.962,522 1.236,523 1.167,524 1.266,525 1.115,526 1.256,527 6,528 0.132,529 4.222,530 1.5,531 1.391,532 1.104,533 0.669,534 0.319,535 0.266,536 0.269,537 14756,538 38058,539 2.084,540 49.2,542 23,545 3,547 2,548 2,550 1.73,551 1.958,552 3.788,553 0.844,555 1,559 91.774,560 1.504,561 3.47,562 4.613,563 5.185,564 5.23,565 5.23,566 3.272,567 4.567,568 4.923,569 3.981,570 1851.2,571 8.561,572 27892,574 1,577 361.775,578 1.383,579 4.888,580 0.176,581 0.005,582 0.09,583 0.03,584 0.033,585 0.031,586 0.02,587 0.009,588 0.009,589 0.012,590 0.416,591 0.33,592 1,593 0.956,594 165.135,595 -0.045,596 -0.135,597 0.051,598 -0.034,599 -0.045,600 0.016,601 -0.028,602 0.124,603 -0.001,604 0.085,605 0.099,606 0.056,607 -0.102,608 0.05,609 -0.066,610 -0.001,611 0.023,612 -0.022,613 -0.079,614 -0.163,615 -0.203,616 -0.193,617 -0.065,618 -0.217,619 0.021,620 -0.158,621 0.021,622 -0.098,623 -0.007,624 -0.049,625 0.047,626 0.028,627 0.125,628 0.07,629 0.024,630 0.102,631 0.053,632 0.051,633 -0.079,635 -0.002,636 -0.05,637 -0.091,638 -0.258,639 -0.206,640 -0.258,641 -0.129,642 -0.254,643 2.062,644 4.915,645 0.71,646 36.612,647 0.998,648 1.131,649 1.932,650 3.732,651 0.644,652 3.555,653 3.871,654 4.143,655 4.344,656 4.595,657 4.691,658 4.828,659 4.836,660 4.949,661 5.03,662 8.312,663 0.608,664 422.58,665 3.555,666 5.094,667 5.943,668 6.808,669 7.671,670 8.54,671 9.408,672 10.28,673 11.15,674 12.022,675 6.6,678 1,681 1,682 2,688 7,693 5,695 12,701 1,702 1,709 1,714 61,716 14,717 2,718 34,720 64,721 24,722 12,723 5,724 7,725 2,730 4,731 5,740 2,743 3,745 14,746 10,750 2,755 2,759 2,761 1,764 30,765 7,766 3,767 7,773 4,777 0.75,778 3,793 4,797 1,815 1,818 1,819 3,823 1,827 31,828 1,833 8,834 1,835 1,837 1,838 2,847 4.9,850 2,851 1,854 15.833,855 10.9,856 6.889,857 3.731,858 2.307,859 1.289,860 0.982,861 6.908,862 10.295,863 3.761,864 4.277,865 4.792,866 5.246,867 5.746,868 5.944,869 6.208,870 6.124,871 6.248,872 6.364,873 0.9,874 50,875 11.506,877 4.878,878 7.726,879 22.314,881 18.603,883 2.226,884 69,888 317.82,889 119.828,890 57.157,892 61.29,895 119.828,896 379.109,897 57.157,898 8.396,899 71.098,900 66.334,901 70.699,902 21.748,904 317.82,906 317.82,907 176.985,908 61.29,911 270.735,912 97.374,913 11,915 74.222,916 102.763,919 317.82,920 118.446,921 119.828,924 317.82,925 45.098,926 80.979,927 18.011,928 94.187,929 317.82,930 118.446,931 119.828,933 0.581,934 0.345,935 0.172,936 0.093,937 22,938 10,939 0.094,940 6,941 1,942 1.091,943 4.331,944 270.205,945 0.091,946 22,947 145.58,951 21.815,952 9.816,953 5.091,955 118.446,956 13.463,961 4.814,963 50.908,964 556.094,965 42,970 23.16,974 -0.444,975 60.876,976 69.019,977 0.254,978 0.585,979 0.778,980 0.874,981 0.882,982 0.882,983 5.011,984 1.592,985 5.922,986 4.333,987 4.554,988 4.963,989 2.275,990 6.713,991 4.497,992 6.179,993 1.327,994 7.475,995 3.846,996 4.111,997 4.705,998 0.57,999 7.594,1000 4.041,1001 7.467,1002 1.143,1003 9.126,1004 3.369,1005 6.138,1006 7.029,1007 2.281,1008 10.644,1009 6.033,1010 8.786,1011 1.012,1012 10.834,1013 2.764,1014 6.509,1015 7.587,1016 0.479,1017 12.332,1018 6.398,1019 10.139,1020 1,1021 12.577,1022 2.383,1023 7.99,1024 9.405,1025 2.376,1026 14.885,1027 7.848,1028 11.512,1029 1,1030 14.344,1031 2.275,1032 8.731,1033 10.335,1034 0.346,1035 16.904,1036 8.584,1037 12.902,1038 0.58,1039 16.128,1040 2.275,1041 9.985,1042 11.937,1043 2.513,1044 19.287,1045 9.813,1046 3.081,1047 0.202,1048 17.923,1049 1.379,1050 10.903,1051 13.056,1052 0.237,1053 21.454,1054 10.724,1055 2.912,1056 10.3,1057 19.728,1058 0.274,1059 12.06,1060 14.552,1061 2.676,1062 23.778,1063 11.86,1064 2.694,1065 9.107,1066 21.54,1067 4.01,1068 13.065,1069 15.774,1070 0.158,1071 26.015,1072 12.856,1073 2.662,1074 8.455,1075 23.357,1076 3.787,1077 14.181,1078 17.214,1079 2.859,1080 28.322,1081 13.955,1082 2.395,1083 8.075,1084 25.18,1085 3.294,1086 15.23,1087 18.497,1088 0.104,1089 30.595,1090 14.993,1091 2.013,1092 6.939,1093 27.006,1094 3.178,1095 16.331,1096 19.906,1097 3.059,1098 32.9,1099 16.079,1100 1.632,1101 6.07,1102 28.837,1103 2.532,1104 17.404,1105 21.225,1106 0.068,1107 35.194,1108 17.14,1109 14074,1110 22693,1111 22.77,1112 39.284,1113 50.953,1114 52.625,1115 52.468,1116 50.524,1117 50.49,1118 61.487,1119 9.578,1120 143.688,1121 49.019,1122 5.389,1123 5.565,1124 6.076,1125 5.152,1126 5.081,1127 7.01,1128 2.302,1129 17.165,1130 5.042,1131 15.713,1132 1.499,1133 1.548,1134 1.543,1135 1.486,1136 1.485,1137 1.808,1138 0.282,1139 4.226,1140 1.442,1141 4.035,1142 4.067,1143 3.975,1144 3.955,1145 7.438,1146 3.956,1147 3.958,1148 3.991,1149 3.902,1150 3.872,1151 7.429,1152 3.875,1153 3.769,1154 3.827,1155 3.666,1156 3.597,1157 4.905,1158 3.604,1159 3.601,1160 3.647,1161 3.513,1162 3.406,1163 4.777,1164 3.422,1165 3.42,1166 3.493,1167 3.31,1168 3.23,1169 4.683,1170 3.228,1171 3.329,1172 3.403,1173 3.187,1174 3.111,1175 4.416,1176 3.115,1177 3.293,1178 3.356,1179 3.139,1180 3.052,1181 4.294,1182 3.082,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.163,1188 2.91,1189 0.129,1190 0.105,1191 0.192,1192 0.12,1193 0.091,1194 4.389,1195 0.118,1196 3.565,1197 0.034,1198 6.531,1199 0.303,1200 4.068,1201 0.089,1202 3.081,1203 4.01,1204 1.151,1205 10.3,1206 3.042,1207 1.987,1208 1.966,1209 2.097,1210 2.094,1211 1.381,1212 2.096,1213 1.93,1214 1.9,1215 2.046,1216 2.055,1217 1.296,1218 2.056,1219 1.736,1220 1.673,1221 1.922,1222 1.917,1223 1.096,1224 1.921,1225 1.536,1226 1.491,1227 1.749,1228 1.773,1229 1.007,1230 1.764,1231 1.396,1232 1.325,1233 1.683,1234 1.625,1235 0.871,1236 1.645,1237 1.306,1238 1.222,1239 1.617,1240 1.548,1241 0.825,1242 1.573,1243 1.19,1244 1.144,1245 1.513,1246 1.499,1247 0.674,1248 1.477,1249 1.153,1250 1.064,1251 1.38,1252 1.376,1253 0.498,1254 1.429,1255 4.234,1257 5.549,1259 7.067,1261 8.671,1263 10.319,1265 1.656,1269 5.325,1271 7.365,1272 2.689,1273 6.068,1275 0.085,1276 4.818,1280 37.078,1281 91.774,1282 211.669,1283 281.394,1284 316.265,1285 319.02,1286 319.02,1287 56.503,1288 7.989,1289 87.9,1290 87.9,1291 24,1292 12.564,1293 3.907,1294 3.17,1295 49.89,1296 157,1297 146,1298 0.155,1299 227.16,1300 401.77,1301 546.03,1302 37196,1304 21.794,1305 0.703,1306 0.58,1307 21.794,1308 17.972,1309 15.046,1310 0.443,1311 0.32,1312 10.727,1313 14.446,1314 10.493,1315 8.62,1316 15.046,1317 10.886,1318 13.351,1319 0.284,1320 0.173,1321 13.351,1322 8.131,1323 11.549,1324 0.186,1325 0.101,1326 11.549,1327 6.266,1328 9.022,1329 0.119,1330 0.058,1331 9.022,1332 4.428,1333 7.347,1334 0.075,1335 0.033,1336 7.347,1337 3.199,1338 0.252,1339 94.373,1340 0.21,1341 29.822,1342 0.399,1343 162,1344 446.142,1345 176.882,1346 426.303,1347 576.73,1348 400,1349 190,1350 412.001,1351 204.858,1352 416.545,1353 610.14,1354 393,1355 8.337} {0 CHEMBL441256,1 1.443,2 8.043,3 4.788,4 22.923,5 93.374,6 6.593,7 0.4,8 3.937,9 4.073,10 3.397,11 3.474,12 4.927,13 3.423,14 4.538,15 4.745,16 3.753,17 3.9,18 5.431,19 3.82,20 4.831,21 5.077,22 3.894,23 4.078,24 5.719,25 3.974,26 4.938,27 5.182,28 3.926,29 4.154,30 5.848,31 4.039,32 5.023,33 5.286,34 3.809,35 4.169,36 5.865,37 4.01,38 5.062,39 5.359,40 3.668,41 4.073,42 6,43 3.888,44 4.88,45 5.194,46 3.395,47 3.88,48 5.654,49 3.673,50 4.572,51 4.857,52 3.246,53 3.646,54 5.406,55 3.471,56 0.03,57 0.749,58 11.193,59 4.818,60 7.252,61 6.663,62 0.135,63 1.24,64 21.184,65 8.079,66 17.246,67 11.581,68 0.284,69 1.586,70 29.036,71 10.521,72 31.485,73 15.271,74 0.304,75 1.736,76 32.426,77 11.946,78 35.714,79 16.915,80 0.257,81 1.78,82 35.271,83 13.505,84 42.394,85 18.988,86 0.55,87 1.689,88 37.703,89 13.089,90 95.323,91 18.797,92 0.432,93 1.302,94 31.021,95 10.746,96 48.987,97 16.021,98 0.179,99 1.038,100 22.438,101 8.179,102 26.668,103 11.833,104 31,105 35,106 0.249,107 0.568,108 0.772,109 0.806,110 0.806,111 0.806,112 3.19,113 1.044,114 -4.86,115 -4.77,116 -4.47,119 39.6,120 2,121 5,125 2,127 1,140 1,141 4,142 1,149 1,150 1,153 1,169 9,172 5,176 2,178 9,182 5,186 2,189 8,193 3,195 1,197 2,199 8,203 4,208 1,211 11,215 2,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 4,249 2,254 2,259 681,260 15.886,261 15.886,262 15.886,263 15.886,264 15.886,265 14.639,266 15.828,267 9.428,268 16.081,269 12.206,270 12.206,271 12.206,272 12.206,273 12.206,274 10.158,275 17.297,276 4.183,277 12.554,278 4.142,279 2.286,280 1.105,281 0.906,282 0.906,283 0.906,284 3.869,288 1,289 1,290 388,291 3.391,294 41.852,295 90.775,298 71.95,299 77.571,302 1.18,303 24.053,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 49.5,315 185,316 4.743,317 3.485,318 7,319 4.304,320 3.318,321 4.721,322 0.8,323 11.95,324 3.273,325 3.968,326 3.109,327 6.185,328 3.79,329 2.84,330 3.365,332 9.187,333 2.707,334 3.759,335 2.94,336 5.883,337 3.442,338 2.461,339 3.186,341 8.056,342 2.406,343 3.65,344 2.741,345 5.66,346 3.281,347 2.328,348 2.749,350 7.361,351 2.201,352 3.013,353 2.4,354 4.767,355 2.659,356 1.66,357 2.159,359 4.886,360 1.656,361 2.675,362 1.79,363 4.418,364 2.591,365 1.608,366 1.687,368 4.259,369 1.576,370 2.536,371 1.65,372 3.947,373 2.237,374 1.247,375 1.513,377 2.954,378 1.233,379 2.247,380 1.3,381 3.698,382 2.112,383 1.164,384 1.247,386 2.166,387 1.091,388 2.108,389 1.298,390 3.247,391 1.805,392 0.836,393 1.009,395 2.117,396 0.808,397 2.061,398 0.909,399 2.966,400 1.646,401 0.667,402 0.683,404 1.056,405 0.651,406 1.689,407 0.768,408 2.821,409 1.444,410 0.356,411 0.579,413 0.544,414 0.381,415 1.155,416 0.318,417 2.681,418 0.891,419 -0.051,420 -0.059,422 -0.123,423 -0.048,424 0.771,425 -0.287,426 2.383,427 0.521,428 -0.445,429 -0.445,431 -0.632,432 -0.428,433 0.555,434 -0.335,435 2.228,436 0.402,437 -0.604,438 -0.748,440 -1.532,441 -0.606,442 0.351,443 -0.389,444 2,445 0.161,446 -0.78,447 -0.85,449 -1.628,450 -0.713,451 10.919,452 0.475,453 0.483,454 0.021,455 23.75,456 1.033,457 9.5,458 0.413,459 14.25,460 0.62,461 23.997,462 1.043,463 26.281,464 0.548,465 15.573,466 0.677,467 4.238,468 0.184,469 6.951,470 0.302,471 0.148,473 0.357,477 1,479 0.6,480 1.21,481 0.879,482 1.178,483 0.481,484 1.09,485 0.714,486 1.049,487 0.894,488 1.012,489 0.52,490 0.98,491 0.711,492 0.964,493 0.86,494 0.953,495 0.563,496 0.928,497 0.849,498 1.052,499 0.968,500 1.045,501 0.747,502 1.025,503 0.802,504 1.117,505 1.004,506 1.17,507 0.811,508 1.133,509 0.876,510 0.928,511 0.969,512 0.978,513 0.893,514 0.988,515 0.596,516 0.648,517 0.848,518 0.831,519 0.696,520 0.875,521 0.699,522 0.94,523 0.926,524 1.05,525 0.744,526 1.031,527 4,529 2.889,530 1.625,531 1.699,532 0.806,533 0.597,534 0.377,535 0.227,536 0.161,537 4746,538 10829,539 2.041,540 52.1,541 8,542 6,543 1,544 1,545 1,547 8,550 1.665,551 1.89,552 3.031,553 -0.369,559 69.271,560 1.443,561 3.299,562 4.48,563 4.679,564 4.679,565 4.679,566 2.442,567 4.176,568 4.492,569 3.157,570 798.651,571 7.776,572 8817.7,574 1,577 268.078,578 1.478,579 4.443,580 0.16,582 0.083,583 0.042,584 0.044,585 0.024,586 0.022,587 0.018,588 0.013,589 0.013,590 0.418,591 0.5,592 1,593 1.522,594 105.105,595 -0.01,596 -0.083,597 0.045,598 -0.011,599 0.015,600 0.019,601 -0.034,602 -0.028,603 0.047,604 0.044,605 0.022,606 0.057,607 0.055,608 0.04,609 0.095,610 0.056,611 0.067,612 0.078,613 0.006,614 -0.043,615 -0.005,616 -0.035,617 0.037,618 -0.022,619 -0.007,620 -0.152,621 -0.058,622 -0.154,623 -0.008,624 -0.122,625 0.085,626 0.002,627 0.005,628 -0.028,629 0.081,630 -0.024,631 0.099,632 0.103,633 0.087,634 0.092,635 -0.001,636 0.085,637 0.011,638 -0.115,639 0.01,640 -0.084,641 -0.02,642 -0.046,643 1.913,644 6.263,645 0.565,646 17.157,647 0.993,648 1.136,649 3.629,650 13.172,651 0.636,652 3.258,653 3.584,654 3.932,655 4.263,656 4.522,657 4.663,658 4.812,659 4.97,660 4.99,661 4.913,662 5.065,663 0.593,664 316.46,665 3.258,666 4.796,667 5.673,668 6.578,669 7.484,670 8.4,671 9.316,672 10.236,673 11.157,674 12.08,675 4.2,678 1,683 1,687 2,688 2,690 1,693 4,695 10,696 1,713 1,714 48,716 11,717 1,718 25,720 50,721 19,722 8,723 5,724 1,725 1,730 3,731 6,736 2,740 4,743 6,745 9,746 10,750 1,755 1,757 1,762 1,764 25,765 3,766 1,767 4,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,825 1,827 23,833 7,837 1,838 1,846 1,847 2.1,850 1,854 12.167,855 9.093,856 5.333,857 3.483,858 2.227,859 1.31,860 0.973,861 4.936,862 9.42,863 3.466,864 4.047,865 4.715,866 5.372,867 5.911,868 6.327,869 6.681,870 7.079,871 7.188,872 7.272,873 1,874 39,875 8.602,877 3.677,878 7.732,879 16.836,881 14.27,883 2.232,884 51.333,887 1,888 282.506,889 87.877,890 19.91,892 25.145,893 14.96,895 87.877,896 307.651,897 34.87,898 17.65,899 16.884,900 18.524,901 48.34,902 41.161,903 28.875,904 258.964,906 282.506,907 107.787,908 40.105,911 203.298,912 119.314,915 54.444,916 41.919,917 11.424,919 297.467,920 45.055,921 87.877,924 282.506,925 40.279,926 50.723,927 16.786,928 40.105,929 282.506,930 60.015,931 87.877,933 0.564,934 0.354,935 0.213,936 0.121,937 17,938 8,939 0.12,940 6,941 2,942 1.308,943 3.358,944 190.349,945 0.308,946 13,947 98.042,951 16.355,952 6.942,953 2.98,954 1.275,955 43.229,956 3.281,958 2.932,961 2.568,963 16.786,964 430.398,965 31,970 11.346,972 0.831,975 47.647,976 54.528,977 0.258,978 0.591,979 0.802,980 0.838,981 0.838,982 0.838,983 4.714,984 1.164,985 5.666,986 2.954,987 4.263,988 4.732,989 0.673,990 6.544,991 4.209,992 5.91,993 0.836,994 7.263,995 2.166,996 3.892,997 4.677,998 0.325,999 7.585,1000 3.793,1001 7.232,1002 0.667,1003 8.965,1004 2.117,1005 5.905,1006 7.005,1007 0.379,1008 10.738,1009 5.802,1010 8.598,1011 0.356,1012 10.728,1013 1.056,1014 6.399,1015 7.87,1016 0.268,1017 12.619,1018 6.261,1019 10.006,1020 -0.051,1021 12.53,1022 0.544,1023 7.869,1024 9.684,1025 0.239,1026 15.3,1027 7.725,1028 11.443,1029 -0.445,1030 14.359,1031 -0.123,1032 8.746,1033 10.946,1034 0.188,1035 17.524,1036 8.58,1037 12.902,1038 -0.604,1039 16.207,1040 -0.632,1041 10.019,1042 12.585,1043 0.156,1044 20.058,1045 9.845,1046 3.318,1047 -0.78,1048 18.069,1049 -1.532,1050 11.067,1051 14.017,1052 0.125,1053 22.428,1054 10.879,1055 2.84,1056 11.95,1057 19.943,1058 -1.628,1059 12.271,1060 15.596,1061 0.102,1062 24.918,1063 12.075,1064 2.461,1065 9.187,1066 21.826,1067 4.721,1068 13.395,1069 17.099,1070 0.082,1071 27.35,1072 13.188,1073 2.328,1074 8.056,1075 23.718,1076 3.365,1077 14.581,1078 18.659,1079 0.066,1080 29.828,1081 14.365,1082 1.66,1083 7.361,1084 25.617,1085 3.186,1086 15.739,1087 20.19,1088 0.054,1089 32.286,1090 15.513,1091 1.608,1092 4.886,1093 27.522,1094 2.749,1095 16.922,1096 21.744,1097 0.043,1098 34.763,1099 16.687,1100 1.247,1101 4.259,1102 29.431,1103 2.159,1104 18.097,1105 23.287,1106 0.035,1107 37.233,1108 17.852,1109 4806,1110 7458,1111 16.414,1112 30.54,1113 37.617,1114 39.204,1115 39.584,1116 37.152,1117 36.972,1118 45.796,1119 1.6,1120 109.072,1121 35.965,1122 5.688,1123 5.485,1124 6.802,1125 5.32,1126 5.318,1127 7.721,1128 1.2,1129 19.466,1130 5.273,1131 12.101,1132 1.505,1133 1.568,1134 1.583,1135 1.486,1136 1.479,1137 1.832,1138 0.064,1139 4.363,1140 1.439,1141 4.17,1142 4.198,1143 4.138,1144 4.092,1145 8.201,1146 4.099,1147 3.822,1148 3.888,1149 3.712,1150 3.666,1151 7.452,1152 3.669,1153 3.619,1154 3.682,1155 3.489,1156 3.483,1157 4.869,1158 3.474,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.382,1164 3.32,1165 3.366,1166 3.405,1167 3.278,1168 3.222,1169 4.209,1170 3.224,1171 3.129,1172 3.198,1173 2.996,1174 2.908,1175 4.04,1176 2.905,1177 3.034,1178 3.119,1179 2.849,1180 2.846,1181 3.84,1182 2.847,1183 2.979,1184 3.06,1185 2.804,1186 2.71,1187 3.569,1188 2.717,1189 0.19,1190 0.139,1191 0.28,1192 0.172,1193 0.133,1194 4.743,1195 0.189,1196 3.485,1197 0.032,1198 7,1199 0.478,1200 4.304,1201 0.131,1202 3.318,1203 4.721,1204 0.8,1205 11.95,1206 3.273,1207 2.028,1208 2.006,1209 2.13,1210 2.116,1211 1.478,1212 2.122,1213 1.738,1214 1.674,1215 1.96,1216 1.926,1217 1.231,1218 1.937,1219 1.552,1220 1.514,1221 1.861,1222 1.769,1223 1.09,1224 1.785,1225 1.539,1226 1.462,1227 1.722,1228 1.738,1229 0.987,1230 1.753,1231 1.519,1232 1.459,1233 1.676,1234 1.674,1235 0.78,1236 1.687,1237 1.176,1238 1.1,1239 1.484,1240 1.403,1241 0.669,1242 1.435,1243 0.991,1244 0.906,1245 1.367,1246 1.249,1247 0.548,1248 1.293,1249 0.947,1250 0.866,1251 1.24,1252 1.239,1253 0.403,1254 1.231,1255 3.932,1257 5.252,1258 2.398,1259 6.792,1260 4.727,1261 8.444,1262 6.862,1263 10.158,1265 4.424,1267 14.263,1271 7.361,1275 0.491,1276 2.561,1280 28.463,1281 69.271,1282 158.33,1283 215.059,1284 224.568,1285 224.568,1286 224.568,1287 46.185,1288 7.193,1289 36.1,1290 36.1,1291 17,1292 12.587,1293 3.585,1294 2.807,1295 36.557,1296 69,1297 72,1298 0.27,1299 174.991,1300 302.04,1301 418.738,1302 10987,1303 2.1,1304 16.397,1305 0.713,1306 0.608,1307 15.527,1308 13.993,1309 11.189,1310 0.448,1311 0.348,1312 8.607,1313 10.83,1314 8.37,1315 6.978,1316 10.779,1317 8.697,1318 9.534,1319 0.272,1320 0.187,1321 8.995,1322 6.541,1323 8.408,1324 0.168,1325 0.1,1326 7.998,1327 4.992,1328 7.452,1329 0.106,1330 0.057,1331 7.056,1332 3.997,1333 6.164,1334 0.068,1335 0.033,1336 5.799,1337 2.985,1338 0.405,1339 69.739,1340 0.247,1341 21.926,1342 0.797,1343 120,1344 343.825,1345 129.405,1346 307.509,1347 414.71,1348 288,1349 145,1350 297.497,1351 154.914,1352 297.32,1353 441.19,1354 281,1355 8.337} {0 CHEMBL441259,1 1.591,2 13.903,3 3.305,4 10.921,5 119.41,6 7.509,7 0.457,8 4.139,9 4.26,10 3.716,11 3.687,12 5.225,13 3.671,14 4.706,15 4.871,16 4.096,17 4.114,18 5.791,19 4.079,20 4.981,21 5.181,22 4.149,23 4.276,24 5.992,25 4.204,26 5.064,27 5.291,28 4.064,29 4.27,30 6.036,31 4.161,32 5.082,33 5.352,34 3.933,35 4.191,36 5.925,37 4.055,38 4.97,39 5.235,40 3.82,41 4.06,42 5.828,43 3.937,44 4.839,45 5.084,46 3.766,47 3.973,48 5.811,49 3.861,50 4.796,51 5.059,52 3.58,53 3.902,54 5.689,55 3.762,56 0.074,57 0.904,58 11.373,59 5.232,60 11.196,61 6.639,62 0.246,63 1.479,64 22.271,65 8.98,66 33.061,67 11.715,68 0.354,69 1.838,70 31.434,71 12.23,72 49.221,73 16.073,74 0.475,75 1.912,76 35.213,77 12.989,78 60.185,79 17.968,80 0.474,81 1.822,82 38.048,83 13.374,84 56.155,85 19.32,86 0.462,87 1.592,88 34.291,89 11.593,90 58.629,91 16.408,92 0.513,93 1.437,94 29.426,95 10.169,96 61.687,97 14.152,98 0.389,99 1.431,100 28.82,101 10.191,102 56.898,103 13.972,104 11,105 50,106 0.26,107 0.643,108 0.832,109 0.901,110 0.901,111 0.901,112 3.471,113 0.915,114 -4.09,115 -4.03,116 -3.82,119 42.9,121 3,125 4,127 1,134 1,135 1,140 6,141 4,142 1,144 1,150 1,156 1,161 1,162 1,163 1,166 1,169 11,172 9,173 1,174 1,176 3,178 14,180 1,182 7,186 6,189 11,191 2,192 1,193 8,197 3,199 10,201 2,203 6,206 1,208 2,211 6,213 2,214 1,215 6,222 2,225 1,226 5,228 1,229 1,231 2,233 6,235 1,237 1,244 9,248 1,249 1,251 1,252 2,254 1,256 8,259 1562,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.924,266 21.562,267 12.284,268 21.525,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 13.798,275 22.352,276 5.816,277 17.847,278 4.217,279 1.866,280 0.706,281 0.286,282 0.286,283 0.286,284 4.183,288 1,289 1,290 960,291 3.162,294 70.422,295 346.178,298 131.719,299 142.42,302 2.054,303 32.576,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 431,316 4.604,317 3.522,318 6.712,319 4.147,320 3.165,321 4.54,322 1.151,323 10.913,324 3.105,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.962,335 3.247,336 5.903,337 3.649,338 2.662,339 3.386,340 0.916,341 8.14,342 2.634,343 3.93,344 2.962,345 5.786,346 3.587,347 2.613,348 3.265,349 0.172,350 7.935,351 2.533,352 3.57,353 2.765,354 5.339,355 3.299,356 2.362,357 2.87,359 6.896,360 2.204,361 3.352,362 2.481,363 5.137,364 3.013,365 2.056,366 2.461,368 6.012,369 1.958,370 3.154,371 2.351,372 4.96,373 2.914,374 1.959,375 2.288,377 5.723,378 1.853,379 3.013,380 1.979,381 4.514,382 2.534,383 1.57,384 2.179,386 4.337,387 1.511,388 2.881,389 1.792,390 4.189,391 2.507,392 1.529,393 1.968,395 3.822,396 1.487,397 2.677,398 1.578,399 4.026,400 2.196,401 1.222,402 1.711,404 3.236,405 1.185,406 2.595,407 1.422,408 3.783,409 2.164,410 1.182,411 1.564,413 2.831,414 1.145,415 2.217,416 1.332,417 3.446,418 1.984,419 1.011,420 1.182,422 2.388,423 0.983,424 2.104,425 1.16,426 3.414,427 1.981,428 1,429 1.043,431 2.275,432 0.974,433 2.022,434 0.781,435 3.229,436 1.618,437 0.637,438 0.855,440 1.517,441 0.622,442 1.659,443 0.645,444 3.135,445 1.479,446 0.509,447 0.588,449 1.243,450 0.491,451 14.552,452 0.469,453 0.763,454 0.025,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 28.4,462 0.916,463 33.448,464 0.597,465 27.593,466 0.89,467 7.345,468 0.237,469 7.736,470 0.25,471 0.07,473 0.371,477 1,479 0.679,480 1.033,481 0.759,482 1.006,483 0.59,484 0.913,485 0.863,486 1.019,487 0.877,488 0.988,489 0.508,490 0.942,491 0.995,492 1.047,493 1.015,494 1.068,495 0.804,496 1.054,497 0.786,498 1.012,499 1.078,500 1.16,501 0.682,502 1.177,503 0.607,504 0.841,505 0.905,506 1.009,507 0.512,508 1.014,509 0.87,510 0.846,511 0.978,512 0.961,513 0.716,514 0.985,515 0.851,516 0.89,517 1.023,518 0.991,519 0.775,520 1.033,521 1.01,522 1.008,523 1.105,524 1.046,525 1.042,526 1.086,527 6,528 0.16,529 4,530 1.882,531 1.747,532 0.99,533 0.573,534 0.393,535 0.199,536 0.234,537 15284,538 41822,539 2.16,540 44.6,542 16,545 3,547 4,548 2,550 1.73,551 2.044,552 3.716,553 0.844,555 1,559 89.076,560 1.591,561 3.941,562 5.102,563 5.522,564 5.522,565 5.522,566 3.183,567 4.696,568 4.927,569 3.907,570 1816.95,571 8.566,572 26872.9,574 1,577 325.212,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.04,585 0.026,586 0.017,587 0.012,588 0.008,589 0.01,590 0.407,591 0.33,592 0.88,593 0.646,594 164.046,595 -0.015,596 0.045,597 0.047,598 0.042,599 -0.036,600 0.056,601 -0.046,602 -0.014,603 0.002,604 0.027,605 0.085,606 0.026,607 -0.108,608 -0.069,609 -0.087,610 -0.053,611 -0.021,612 -0.064,614 -0.104,615 -0.138,616 -0.173,617 0.005,618 -0.185,619 0.068,620 -0.029,621 0.068,622 -0.038,623 0.041,624 0.004,625 -0.045,626 -0.027,627 0.014,628 -0.003,629 -0.044,630 0.014,631 0.034,632 -0.041,633 -0.042,634 -0.024,635 0.023,636 -0.044,637 -0.097,638 -0.045,639 -0.105,640 -0.056,641 -0.103,642 -0.076,643 2.058,644 5.419,645 0.806,646 32.489,647 1.005,648 1.131,649 2.858,650 8.166,651 0.665,652 3.584,653 3.932,654 4.234,655 4.511,656 4.762,657 4.86,658 4.997,659 5.069,660 5.142,661 5.204,662 7.976,663 0.637,664 420.53,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.67,671 9.557,672 10.45,673 11.34,674 12.233,675 7.1,678 1,682 1,683 1,685 1,687 2,688 6,689 1,690 1,693 5,695 16,701 1,713 1,714 56,716 18,717 2,718 35,720 60,721 24,722 13,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 16,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 25,765 6,766 3,767 7,773 4,777 0.6,778 2,784 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 3.6,850 1,851 1,854 15.167,855 9.876,856 6.667,857 3.463,858 3.567,859 1.425,860 1.032,861 5.512,862 11.969,863 3.829,864 4.44,865 5.043,866 5.633,867 6.152,868 6.465,869 6.811,870 7.046,871 7.076,872 7.271,873 1,874 51,875 11.514,877 5.054,878 7.785,879 22.186,881 19.037,883 2.285,884 70.833,886 1,887 1,888 258.964,889 118.889,890 69.348,892 36.145,893 14.96,895 118.889,896 295.109,897 84.308,899 51.41,900 66.334,901 57.512,902 46.368,903 17.717,904 258.964,906 258.964,907 188.236,908 51.105,911 203.298,912 95.772,913 11,915 73.342,916 88.755,917 26.139,919 273.924,920 105.492,921 118.889,924 258.964,925 52.555,926 69.458,927 16.663,928 100.665,929 258.964,930 120.452,931 118.889,933 0.589,934 0.347,935 0.187,936 0.105,937 26,938 11,939 0.083,940 5,941 2,942 1.16,943 4.358,944 283.876,945 0.16,946 25,947 153.58,951 20.228,952 8.447,953 4.102,954 1.62,955 103.789,956 10.408,957 4.245,958 3.076,961 3.606,963 49.56,964 498.305,965 45,970 11.456,972 2.231,974 0.834,975 56.294,976 63.319,977 0.274,978 0.679,979 0.879,980 0.951,981 0.951,982 0.951,983 5.088,984 1.57,985 5.999,986 5.723,987 4.615,988 5.127,989 1.956,990 6.823,991 4.557,992 6.293,993 1.529,994 7.566,995 4.337,996 4.205,997 4.977,998 0.325,999 7.745,1000 4.122,1001 7.608,1002 1.222,1003 9.231,1004 3.822,1005 6.225,1006 7.339,1007 1.989,1008 10.843,1009 6.124,1010 8.957,1011 1.182,1012 10.954,1013 3.236,1014 6.635,1015 8.048,1016 0.393,1017 12.605,1018 6.52,1019 10.34,1020 1.011,1021 12.715,1022 2.831,1023 8.118,1024 9.89,1025 2.094,1026 15.217,1027 7.986,1028 11.747,1029 1,1030 14.503,1031 2.388,1032 8.906,1033 11.004,1034 0.384,1035 17.326,1036 8.765,1037 13.173,1038 0.637,1039 16.31,1040 2.275,1041 10.173,1042 12.637,1043 2.241,1044 19.777,1045 10.015,1046 3.165,1047 0.509,1048 18.131,1049 1.517,1050 11.142,1051 13.948,1052 0.351,1053 22.033,1054 10.974,1055 3.077,1056 10.913,1057 19.964,1058 1.243,1059 12.321,1060 15.495,1061 2.418,1062 24.429,1063 12.137,1064 2.662,1065 10.291,1066 21.807,1067 4.54,1068 13.376,1069 16.902,1070 0.312,1071 26.749,1072 13.18,1073 2.613,1074 8.14,1075 23.657,1076 4.006,1077 14.522,1078 18.416,1079 2.619,1080 29.126,1081 14.31,1082 2.362,1083 7.935,1084 25.514,1085 3.386,1086 15.617,1087 19.87,1088 0.273,1089 31.475,1090 15.391,1091 2.056,1092 6.896,1093 27.375,1094 3.265,1095 16.752,1096 21.373,1097 2.839,1098 33.848,1099 16.511,1100 1.959,1101 6.012,1102 29.242,1103 2.87,1104 17.868,1105 22.851,1106 0.236,1107 36.209,1108 17.611,1109 14064,1110 23403,1111 23.868,1112 37.245,1113 53.678,1114 54.242,1115 54.493,1116 53.213,1117 53.107,1118 67.815,1119 6.439,1120 155.118,1121 51.446,1122 5.569,1123 5.522,1124 6.249,1125 5.231,1126 5.165,1127 7.54,1128 2.302,1129 18.066,1130 5.105,1131 13.5,1132 1.534,1133 1.55,1134 1.557,1135 1.52,1136 1.517,1137 1.938,1138 0.184,1139 4.432,1140 1.47,1141 4.127,1142 4.165,1143 4.094,1144 4.024,1145 8.201,1146 4.035,1147 4.012,1148 4.036,1149 3.958,1150 3.94,1151 7.437,1152 3.941,1153 3.812,1154 3.868,1155 3.717,1156 3.681,1157 5.061,1158 3.682,1159 3.583,1160 3.619,1161 3.498,1162 3.422,1163 4.904,1164 3.43,1165 3.434,1166 3.497,1167 3.355,1168 3.255,1169 4.748,1170 3.259,1171 3.32,1172 3.397,1173 3.181,1174 3.126,1175 4.427,1176 3.137,1177 3.222,1178 3.287,1179 3.099,1180 2.981,1181 4.375,1182 3.003,1183 3.037,1184 3.129,1185 2.862,1186 2.874,1187 4.239,1188 2.848,1189 0.132,1190 0.101,1191 0.192,1192 0.118,1193 0.09,1194 4.604,1195 0.13,1196 3.522,1197 0.033,1198 6.712,1199 0.312,1200 4.147,1201 0.089,1202 3.165,1203 4.54,1204 1.151,1205 10.913,1206 3.105,1207 1.987,1208 1.966,1209 2.098,1210 2.09,1211 1.381,1212 2.093,1213 1.946,1214 1.925,1215 2.044,1216 2.035,1217 1.3,1218 2.04,1219 1.803,1220 1.756,1221 1.943,1222 1.952,1223 1.117,1224 1.95,1225 1.549,1226 1.507,1227 1.749,1228 1.753,1229 1.029,1230 1.744,1231 1.412,1232 1.351,1233 1.661,1234 1.664,1235 0.859,1236 1.647,1237 1.272,1238 1.194,1239 1.458,1240 1.537,1241 0.693,1242 1.541,1243 1.13,1244 1.072,1245 1.418,1246 1.435,1247 0.568,1248 1.423,1249 1.074,1250 0.988,1251 1.353,1252 1.296,1253 0.4,1254 1.347,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.433,1267 13.419,1269 5.416,1271 6.032,1273 6.032,1275 0.044,1276 2.414,1280 35.693,1281 89.076,1282 220.692,1283 285.702,1284 309.212,1285 309.212,1286 309.212,1287 53.183,1288 8.402,1289 84.24,1290 84.24,1291 29,1292 12.76,1293 4.248,1294 3.459,1295 44.035,1296 152,1297 137,1298 0.141,1299 214.041,1300 373.15,1301 514.02,1302 62537,1303 1.8,1304 21.372,1305 0.689,1306 0.556,1307 20.501,1308 17.235,1309 15.081,1310 0.431,1311 0.305,1312 10.532,1313 14.484,1314 10.36,1315 8.454,1316 14.687,1317 10.679,1318 13.874,1319 0.277,1320 0.164,1321 13.24,1322 8.216,1323 11.947,1324 0.176,1325 0.093,1326 11.611,1327 6.304,1328 10.075,1329 0.112,1330 0.051,1331 9.816,1332 4.6,1333 8.384,1334 0.072,1335 0.029,1336 8.137,1337 3.348,1338 0.229,1339 94.644,1340 0.205,1341 29.624,1342 0.367,1343 170,1344 512.518,1345 186.138,1346 469.307,1347 637.1,1348 440,1349 203,1350 463.924,1351 218.803,1352 463.234,1353 682.29,1354 438,1355 7.62} {0 CHEMBL441296,1 1.457,2 14.156,3 2.44,4 5.953,5 129.136,6 6.945,7 0.583,8 4.226,9 4.364,10 3.744,11 3.744,12 5.249,13 3.716,14 4.783,15 4.974,16 4.072,17 4.177,18 5.698,19 4.115,20 5.057,21 5.297,22 4.039,23 4.315,24 5.873,25 4.19,26 5.151,27 5.42,28 4.002,29 4.311,30 5.947,31 4.168,32 5.151,33 5.433,34 3.955,35 4.259,36 5.933,37 4.113,38 5.061,39 5.327,40 3.958,41 4.222,42 5.855,43 4.094,44 5.068,45 5.333,46 3.903,47 4.199,48 5.892,49 4.056,50 5.012,51 5.307,52 3.674,53 4.086,54 5.722,55 3.911,56 0.091,57 0.969,58 14.134,59 5.437,60 13.247,61 7.758,62 0.264,63 1.577,64 26.006,65 9.142,66 24.53,67 13.4,68 0.301,69 1.862,70 35.28,71 12.884,72 32.285,73 19.117,74 0.329,75 1.942,76 39.753,77 13.922,78 40.577,79 20.901,80 0.41,81 1.869,82 40.528,83 13.833,84 48.126,85 20.69,86 0.311,87 1.763,88 36.479,89 12.505,90 35.656,91 18.737,92 0.471,93 1.771,94 37.006,95 12.425,96 44.75,97 18.545,98 0.321,99 1.611,100 35.331,101 11.775,102 36.182,103 18.074,104 3,105 49,106 0.233,107 0.585,108 0.779,109 0.872,110 0.879,111 0.879,112 3.502,113 0.947,114 -4.38,115 -4.31,116 -4.07,119 40.3,121 2,122 1,125 5,127 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 5,178 10,182 3,185 1,186 7,189 7,193 6,195 1,197 4,199 5,203 6,206 2,208 4,211 6,215 4,220 3,222 6,225 1,226 5,229 3,231 3,233 5,237 2,242 1,244 4,248 2,249 3,253 1,254 2,256 5,259 1806,260 22.455,261 22.455,262 22.455,263 22.455,264 22.455,265 20.041,266 25.078,267 13.425,268 22.863,269 17.751,270 17.751,271 17.751,272 17.751,273 17.751,274 14.199,275 30.006,276 6.319,277 18.431,278 4.497,279 2.291,280 1.077,281 0.496,282 0.452,283 0.452,284 4.213,288 1,289 1,290 1009,291 3.464,294 262.377,295 212.389,298 142.794,302 2.219,303 17.795,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68,315 453,316 4.569,317 3.203,318 6.566,319 4.1,320 3.119,321 4.518,322 0.8,323 10.433,324 3.062,325 4.129,326 3.149,327 6.129,328 3.822,329 2.845,330 3.732,331 0.657,332 8.981,333 2.782,334 4.07,335 2.959,336 6.096,337 3.703,338 2.761,339 3.548,341 8.885,342 2.616,343 3.737,344 2.865,345 5.644,346 3.659,347 2.705,348 2.829,350 7.871,351 2.568,352 3.427,353 2.256,354 5.139,355 3.074,356 2.103,357 2.723,359 6.09,360 2.038,361 3.252,362 2.102,363 4.885,364 2.909,365 1.943,366 2.587,368 5.595,369 1.871,370 3.206,371 1.93,372 4.514,373 2.787,374 1.817,375 2.38,377 4.654,378 1.757,379 2.96,380 1.791,381 4.446,382 2.719,383 1.762,384 1.995,386 4.474,387 1.681,388 2.726,389 1.351,390 4.122,391 2.252,392 1.275,393 1.822,395 3.425,396 1.244,397 2.532,398 1.32,399 3.511,400 2.178,401 1.2,402 1.54,404 2.717,405 1.17,406 2.5,407 1.204,408 3.375,409 2,410 1,411 1.5,413 2.22,414 1,415 2.401,416 1.011,417 3.309,418 1.937,419 0.978,420 1.358,422 2.136,423 0.935,424 2.144,425 1,426 3.247,427 1.822,428 0.861,429 1.026,431 1.974,432 0.824,433 2.118,434 0.857,435 3.234,436 1.651,437 0.694,438 0.927,440 1.663,441 0.662,442 1.873,443 0.756,444 3.12,445 1.541,446 0.618,447 0.827,449 1.372,450 0.567,451 15.233,452 0.476,453 0.547,454 0.017,455 39.25,456 1.227,457 18,458 0.563,459 21.25,460 0.664,461 28.656,462 0.896,463 34.567,464 0.558,465 27.68,466 0.865,467 7.708,468 0.241,469 8.089,470 0.253,471 0.022,473 0.282,479 0.965,480 1.352,481 0.865,482 1.091,483 0.879,484 0.987,485 1.13,486 1.084,487 1.044,488 0.999,489 0.895,490 1.005,491 0.792,492 1.101,493 1.045,494 1.124,495 0.632,496 1.114,497 0.834,498 1.044,499 0.991,500 1.074,501 0.734,502 1.053,503 0.963,504 0.914,505 0.927,506 0.948,507 1.069,508 0.941,509 1.013,510 1.015,511 0.945,512 0.989,513 1.019,514 0.966,515 1.055,516 0.988,517 1.075,518 1.047,519 1.221,520 1.069,521 0.888,522 0.972,523 1.004,524 0.995,525 0.841,526 1.009,527 5,528 0.121,529 3.333,530 1.389,531 1.064,532 0.816,533 0.545,534 0.274,535 0.213,536 0.1,537 17331,538 39915,539 2.194,540 48.4,542 19,543 1,544 2,545 3,547 4,548 1,550 1.739,551 2.133,552 3.766,553 0.822,559 90.347,560 1.457,561 3.663,562 4.878,563 5.458,564 5.503,565 5.503,566 3.23,567 4.563,568 4.974,569 3.977,570 1972.47,571 8.666,572 30703.5,574 1,577 369.16,578 1.043,579 4.964,580 0.139,581 0.005,582 0.068,583 0.031,584 0.025,585 0.02,586 0.013,587 0.007,588 0.007,589 0.004,590 0.32,591 0.17,592 0.88,593 0.469,594 172.222,595 0.006,596 -0.114,597 0.063,598 -0.011,599 0.006,600 0.022,601 -0.111,602 0.079,603 -0.087,604 0.021,605 -0.083,606 -0.023,607 -0.01,608 -0.082,609 -0.093,610 -0.099,611 0.05,612 -0.105,613 -0.001,614 -0.083,615 -0.02,616 -0.077,617 0.046,618 -0.054,619 0.02,620 0.004,621 0.065,622 0.034,623 -0.001,624 0.05,625 -0.045,626 -0.062,627 0.038,628 0.005,629 -0.016,630 0.028,631 0.03,632 -0.023,633 -0.082,634 -0.072,635 -0.088,636 -0.092,637 -0.055,638 -0.057,639 -0.02,640 -0.025,641 -0.068,642 -0.019,643 1.377,644 3.777,645 0.781,646 37.18,647 0.993,648 1.132,649 3.152,650 9.934,651 0.655,652 3.611,653 3.912,654 4.205,655 4.454,656 4.575,657 4.673,658 4.82,659 4.97,660 5.017,661 5.069,662 8.405,663 0.616,664 430.61,665 3.611,666 5.142,667 5.994,668 6.86,669 7.724,670 8.595,671 9.465,672 10.339,673 11.212,674 12.088,675 9.7,677 1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 62,716 21,717 2,718 36,720 66,721 25,722 16,723 4,724 8,730 5,731 6,736 1,740 1,741 1,743 3,745 16,746 9,747 1,764 30,765 5,766 3,767 7,773 6,777 0.8,778 1,779 1,788 1,789 1,792 3,793 2,796 1,814 1,815 1,817 1,819 4,827 32,832 1,833 7,834 1,837 2,838 1,844 1,847 1.6,848 1,854 15,855 10.583,856 7.111,857 3.75,858 3.529,859 1.432,860 0.991,861 6.534,862 11.708,863 3.861,864 4.431,865 5.029,866 5.609,867 6.029,868 6.364,869 6.813,870 7.23,871 7.422,872 7.659,873 1,874 45,875 11.829,877 5.017,878 7.516,879 23.341,881 19.763,883 2.016,884 64.5,887 1,888 317.82,889 129.431,890 73.146,892 42.683,895 129.431,896 360.503,897 73.146,899 13.492,900 145.551,901 74.105,902 33.51,903 13.915,904 282.506,906 317.82,907 202.577,908 42.683,911 258.964,912 58.856,913 42.683,915 70.549,916 98.702,917 33.326,919 317.82,920 115.829,921 129.431,924 317.82,925 27.337,926 107.118,927 34.796,928 76.009,929 317.82,930 115.829,931 129.431,933 0.571,934 0.341,935 0.187,936 0.089,937 24,938 9,939 0.136,940 9,941 1,942 1.08,943 4.59,944 286.117,945 0.08,946 25,947 152,951 21.197,952 9.863,953 4.907,954 2.429,955 97.144,956 22.214,957 7.825,958 3.407,961 3.573,962 1.934,963 77.48,964 563.08,965 46.5,975 61.541,976 70.182,977 0.245,978 0.615,979 0.819,980 0.917,981 0.924,982 0.924,983 5.083,984 1.762,985 5.948,986 4.654,987 4.595,988 5.118,989 1.038,990 6.727,991 4.524,992 6.252,993 1.275,994 7.48,995 4.474,996 4.007,997 4.732,998 0.325,999 7.554,1000 3.911,1001 7.533,1002 1.2,1003 9.113,1004 3.425,1005 6.155,1006 7.281,1007 0.607,1008 10.643,1009 6.021,1010 8.854,1011 1,1012 10.807,1013 2.717,1014 6.479,1015 7.866,1016 0.268,1017 12.344,1018 6.317,1019 10.213,1020 0.978,1021 12.542,1022 2.22,1023 7.997,1024 9.79,1025 0.359,1026 14.906,1027 7.808,1028 11.599,1029 0.861,1030 14.305,1031 2.136,1032 8.731,1033 10.839,1034 0.188,1035 16.952,1036 8.516,1037 13.005,1038 0.694,1039 16.088,1040 1.974,1041 9.999,1042 12.509,1043 0.214,1044 19.342,1045 9.762,1046 3.119,1047 0.618,1048 17.885,1049 1.663,1050 10.925,1051 13.789,1052 0.125,1053 21.535,1054 10.666,1055 2.845,1056 10.433,1057 19.693,1058 1.372,1059 12.09,1060 15.353,1061 0.129,1062 23.868,1063 11.812,1064 2.761,1065 8.981,1066 21.51,1067 4.518,1068 13.107,1069 16.746,1070 0.082,1071 26.127,1072 12.81,1073 2.705,1074 8.885,1075 23.333,1076 3.732,1077 14.231,1078 18.267,1079 0.079,1080 28.445,1081 13.916,1082 2.103,1083 7.871,1084 25.162,1085 3.548,1086 15.293,1087 19.715,1088 0.054,1089 30.737,1090 14.961,1091 1.943,1092 6.09,1093 26.996,1094 2.829,1095 16.402,1096 21.221,1097 0.048,1098 33.054,1099 16.055,1100 1.817,1101 5.595,1102 28.834,1103 2.723,1104 17.487,1105 22.697,1106 0.035,1107 35.363,1108 17.124,1109 15885,1110 24265,1111 25.137,1112 40.625,1113 53.677,1114 53.688,1115 54.067,1116 53.306,1117 53.307,1118 68.688,1119 2.915,1120 149.236,1121 51.348,1122 5.538,1123 5.203,1124 6.368,1125 5.16,1126 5.119,1127 7.518,1128 1.457,1129 17.106,1130 5.062,1131 7.832,1132 1.491,1133 1.491,1134 1.502,1135 1.481,1136 1.481,1137 1.908,1138 0.081,1139 4.145,1140 1.426,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 6.456,1146 4.07,1147 3.953,1148 3.999,1149 3.871,1150 3.872,1151 5.135,1152 3.866,1153 3.865,1154 3.923,1155 3.793,1156 3.726,1157 4.927,1158 3.724,1159 3.818,1160 3.888,1161 3.741,1162 3.577,1163 4.753,1164 3.618,1165 3.516,1166 3.586,1167 3.386,1168 3.33,1169 4.383,1170 3.335,1171 3.409,1172 3.468,1173 3.285,1174 3.263,1175 4.253,1176 3.262,1177 3.229,1178 3.305,1179 3.093,1180 3.028,1181 4.104,1182 3.034,1183 3.085,1184 3.176,1185 2.893,1186 2.858,1187 3.838,1188 2.85,1189 0.127,1190 0.089,1191 0.182,1192 0.114,1193 0.087,1194 4.569,1195 0.125,1196 3.203,1197 0.022,1198 6.566,1199 0.29,1200 4.1,1201 0.085,1202 3.119,1203 4.518,1204 0.8,1205 10.433,1206 3.062,1207 1.959,1208 1.935,1209 2.053,1210 2.052,1211 1.327,1212 2.049,1213 1.924,1214 1.894,1215 2.039,1216 2.025,1217 1.268,1218 2.036,1219 1.695,1220 1.635,1221 1.911,1222 1.883,1223 1.185,1224 1.89,1225 1.671,1226 1.611,1227 1.876,1228 1.842,1229 1.115,1230 1.865,1231 1.445,1232 1.373,1233 1.674,1234 1.693,1235 0.9,1236 1.681,1237 1.406,1238 1.344,1239 1.629,1240 1.636,1241 0.829,1242 1.643,1243 1.371,1244 1.307,1245 1.516,1246 1.588,1247 0.587,1248 1.58,1249 1.078,1250 0.982,1251 1.375,1252 1.442,1253 0.543,1254 1.379,1255 4.29,1257 5.595,1258 3.434,1259 7.081,1260 5.687,1261 8.648,1262 7.678,1263 10.262,1270 9.777,1271 6.581,1272 3.567,1275 0.632,1276 2.561,1280 38.165,1281 90.347,1282 227.106,1283 302.405,1284 338.405,1285 341.16,1286 341.16,1287 44.199,1288 8.178,1289 82,1290 82,1291 27,1292 12.627,1293 4.459,1294 3.524,1295 46.046,1296 165,1297 144,1298 0.134,1299 232.027,1300 386.69,1301 557.907,1302 49303,1304 21.753,1305 0.68,1306 0.568,1307 21.753,1308 18.191,1309 15.797,1310 0.439,1311 0.316,1312 11.217,1313 15.24,1314 11.015,1315 9.091,1316 15.797,1317 11.365,1318 13.645,1319 0.278,1320 0.177,1321 13.645,1322 8.672,1323 12.051,1324 0.183,1325 0.1,1326 12.051,1327 6.573,1328 10.077,1329 0.119,1330 0.055,1331 10.077,1332 4.711,1333 7.345,1334 0.077,1335 0.032,1336 7.345,1337 3.067,1338 0.218,1339 98.586,1340 0.199,1341 30.655,1342 0.345,1343 170,1344 409.396,1345 182.263,1346 403.577,1347 564.11,1348 382,1349 200,1350 422.287,1351 214.012,1352 430.986,1353 625.84,1354 406,1355 8.071} {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 -3.5,119 42.3,120 1,121 4,122 1,124 1,125 2,127 3,130 1,131 1,134 1,135 1,140 8,141 4,149 1,150 1,156 3,169 17,171 3,172 8,174 4,176 5,178 19,181 4,182 11,184 3,186 5,189 16,192 2,193 15,195 2,196 1,197 6,199 11,202 5,203 15,206 3,208 5,211 9,214 1,215 19,218 2,220 9,222 6,225 3,226 14,231 7,233 9,236 1,237 12,240 2,241 1,242 5,244 13,248 1,249 14,254 2,256 11,259 3567,260 29.004,261 29.004,262 29.004,263 29.004,264 29.004,265 26.631,266 32.275,267 16.233,268 29.394,269 24.661,270 24.661,271 24.661,272 24.661,273 24.661,274 20.867,275 38.018,276 7.684,277 25.302,278 4.733,279 2.293,280 0.978,281 0.507,282 0.378,283 0.378,284 4.514,289 1,290 1319,291 4.301,294 237.802,295 458.773,298 557.483,299 283.399,300 166.131,301 191.998,302 1.937,303 62.62,306 0.75,307 0.5,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.73,314 93.5,315 572,316 4.879,317 4.459,318 8.108,319 4.791,320 3.839,321 4.634,322 2.23,323 15.813,324 3.651,325 4.718,326 3.922,327 7.335,328 4.34,329 3.352,330 3.965,331 1.989,332 12.585,333 3.313,334 4.315,335 3.742,336 7.022,337 4.191,338 3.236,339 3.54,340 1.972,341 12.05,342 3.086,343 4.165,344 3.551,345 6.462,346 3.884,347 2.908,348 3.471,349 1.465,350 9.882,351 2.842,352 3.955,353 3.48,354 6.431,355 3.75,356 2.755,357 3.366,358 0.935,359 9.738,360 2.737,361 3.807,362 3.026,363 6.309,364 3.558,365 2.589,366 3.003,367 0.916,368 9.069,369 2.518,370 3.735,371 2.941,372 5.944,373 3.471,374 2.482,375 2.905,376 0.584,377 8.211,378 2.449,379 3.547,380 2.744,381 5.636,382 3.3,383 2.332,384 2.82,385 0.274,386 7.296,387 2.237,388 3.45,389 2.552,390 5.367,391 3.255,392 2.278,393 2.557,394 0.172,395 6.896,396 2.226,397 3.305,398 2.45,399 5.114,400 2.922,401 1.949,402 2.457,403 0.137,404 5.884,405 1.889,406 2.941,407 2.209,408 5.098,409 2.622,410 1.619,411 2.063,413 4.998,414 1.605,415 2.91,416 2.069,417 4.636,418 2.483,419 1.48,420 1.991,422 4.405,423 1.483,424 2.865,425 1.975,426 4.446,427 2.441,428 1.475,429 1.859,431 3.703,432 1.421,433 2.668,434 1.643,435 4.312,436 2.33,437 1.328,438 1.726,440 3.331,441 1.322,442 2.519,443 1.522,444 3.911,445 2.18,446 1.183,447 1.5,449 2.881,450 1.176,451 20.167,452 0.469,453 1.426,454 0.033,455 49.75,456 1.157,457 20,458 0.465,459 29.75,460 0.692,461 51.375,462 1.195,463 46.433,464 0.595,465 47.305,466 1.1,467 9.432,468 0.219,469 11.244,470 0.261,471 0.116,472 0.05,473 0.382,479 0.771,480 1.345,481 0.763,482 1.073,483 0.625,484 0.936,485 0.645,486 1.123,487 0.792,488 0.965,489 0.527,490 0.904,491 1.046,492 1.058,493 0.998,494 1.035,495 0.932,496 1.008,497 1.283,498 1.071,499 1.042,500 1.035,501 1.353,502 1.002,503 1.358,504 1.008,505 1.128,506 0.99,507 1.349,508 1.019,509 1.112,510 1.084,511 1.014,512 1.042,513 1.107,514 1.01,515 1.482,516 0.873,517 1.101,518 0.89,519 1.621,520 0.92,521 1.186,522 1.053,523 1.052,524 1.079,525 1.192,526 1.059,527 10,528 0.416,529 6.889,530 5.389,531 4.712,532 2.532,533 1.609,534 1.149,535 0.71,536 0.554,537 32205,538 74438,539 2.18,540 44.9,542 19,543 1,545 3,546 1,547 8,548 3,550 1.82,551 2.016,552 3.67,553 0.71,559 121.052,560 1.552,561 3.993,562 5.308,563 5.779,564 5.907,565 5.907,566 3.11,567 5.037,568 5.401,569 3.863,570 3487.88,571 9.574,572 59272.8,577 490.261,578 1.654,579 5.343,580 0.2,581 0.007,582 0.087,583 0.061,584 0.053,585 0.031,586 0.021,587 0.016,588 0.011,589 0.01,590 0.497,591 0.33,592 0.75,593 0.523,594 242.746,595 -0.058,596 -0.141,597 0.062,598 -0.005,599 -0.063,600 0.04,601 0.214,602 0.038,603 0.104,604 0.042,605 0.065,606 0.051,607 0.03,608 0.013,609 -0.04,610 -0.048,611 -0.027,612 -0.055,613 -0.028,614 -0.063,615 -0.039,616 -0.061,617 -0.035,618 -0.052,619 0.004,620 -0.022,621 -0.102,622 -0.027,623 0.065,624 -0.077,625 -0.026,626 -0.091,627 -0.009,628 -0.077,629 0.02,630 -0.043,631 -0.166,632 0.087,633 -0.053,634 0.057,635 -0.138,636 0.03,637 -0.018,638 -0.104,639 -0.044,640 -0.086,641 0.006,642 -0.077,643 3.292,644 7.173,645 0.791,646 46.369,647 1.005,648 1.125,649 2.481,650 6.154,651 0.663,652 3.932,653 4.382,654 4.779,655 5.176,656 5.493,657 5.697,658 5.94,659 6.155,660 6.282,661 6.405,662 7.892,663 0.636,664 581.73,665 3.932,666 5.557,667 6.482,668 7.439,669 8.384,670 9.347,671 10.301,672 11.268,673 12.228,674 13.197,675 6.4,678 1,682 3,683 1,687 2,688 9,690 1,693 3,695 16,714 78,716 20,717 2,718 50,720 85,721 33,722 14,723 4,724 8,725 2,730 8,731 19,736 1,740 7,741 1,743 8,745 19,746 14,747 1,750 4,755 3,757 1,759 4,764 35,765 9,766 3,767 10,773 5,777 0.375,778 5,788 1,789 1,792 3,793 5,796 4,797 2,798 1,799 1,805 1,806 2,810 1,811 1,815 1,817 1,818 1,819 3,823 2,827 43,832 1,833 6,834 1,835 1,837 4,838 3,839 2,847 6.4,848 1,850 3,851 1,854 21.333,855 14.383,856 8.875,857 4.869,858 3.242,859 1.316,860 0.988,861 6.073,862 13.496,863 4.143,864 4.751,865 5.341,866 5.922,867 6.424,868 6.74,869 7.177,870 7.591,871 7.842,872 8.156,873 0.889,874 88,875 16.377,877 7.858,878 7.764,879 31.071,881 28.25,883 2.264,884 97.333,888 376.675,889 157.478,890 44.169,892 129.118,895 157.478,896 505.793,897 44.169,898 17.222,899 38.609,900 137.017,901 100.549,902 35.225,903 13.915,904 364.904,906 376.675,907 201.647,908 129.118,911 247.193,912 204.917,913 53.683,915 67.344,916 124.827,917 9.476,919 376.675,920 173.287,921 157.478,924 376.675,925 45.923,926 120.928,927 34.796,928 129.118,929 376.675,930 173.287,931 157.478,933 0.61,934 0.38,935 0.22,936 0.124,937 46,938 20,939 0.047,940 4,941 6,942 1.324,943 4.91,944 518.236,945 0.353,946 33,947 229.329,951 27.24,952 9.586,953 3.956,954 2.263,955 156.502,956 17.692,958 3.367,961 3.25,963 77.48,964 707.441,965 62,970 41.813,972 2.024,974 -0.081,975 78.4,976 87.767,977 0.247,978 0.635,979 0.844,980 0.919,981 0.94,982 0.94,983 5.485,984 2.332,985 6.547,986 8.211,987 5.069,988 5.44,989 3.406,990 7.532,991 5.017,992 6.719,993 2.278,994 8.219,995 7.296,996 4.977,997 5.394,998 2.838,999 8.916,1000 4.884,1001 8.076,1002 1.949,1003 10.004,1004 6.896,1005 6.874,1006 7.604,1007 4.436,1008 12.096,1009 6.754,1010 9.466,1011 1.619,1012 11.859,1013 5.884,1014 7.601,1015 8.369,1016 4.538,1017 14.317,1018 7.433,1019 10.893,1020 1.48,1021 13.76,1022 4.998,1023 9.045,1024 10.118,1025 5.716,1026 17.127,1027 8.843,1028 12.345,1029 1.475,1030 15.693,1031 4.405,1032 10.109,1033 11.26,1034 6.125,1035 19.667,1036 9.856,1037 13.816,1038 1.328,1039 17.652,1040 3.703,1041 11.425,1042 12.847,1043 7.108,1044 22.4,1045 11.131,1046 3.839,1047 1.183,1048 19.63,1049 3.331,1050 12.629,1051 14.176,1052 7.677,1053 25.062,1054 12.282,1055 3.352,1056 15.813,1057 21.624,1058 2.881,1059 13.921,1060 15.707,1061 8.56,1062 27.789,1063 13.527,1064 3.236,1065 12.585,1066 23.632,1067 4.634,1068 15.184,1069 17.13,1070 9.22,1071 30.502,1072 14.737,1073 2.908,1074 12.05,1075 25.651,1076 3.965,1077 16.48,1078 18.645,1079 10.051,1080 33.237,1081 15.982,1082 2.755,1083 9.882,1084 27.679,1085 3.54,1086 17.773,1087 20.117,1088 10.762,1089 35.972,1090 17.221,1091 2.589,1092 9.738,1093 29.716,1094 3.471,1095 19.08,1096 21.631,1097 11.568,1098 38.717,1099 18.475,1100 2.482,1101 9.069,1102 31.76,1103 3.366,1104 20.389,1105 23.129,1106 12.309,1107 41.463,1108 19.73,1109 28585,1110 43633,1111 33.52,1112 51.722,1113 80.23,1114 81.573,1115 81.737,1116 78.792,1117 78.664,1118 94.888,1119 21.35,1120 256.023,1121 76.81,1122 5.879,1123 6.459,1124 7.91,1125 5.867,1126 5.839,1127 7.634,1128 3.883,1129 24.799,1130 5.651,1131 20.932,1132 1.605,1133 1.631,1134 1.635,1135 1.576,1136 1.573,1137 1.898,1138 0.427,1139 5.12,1140 1.536,1141 4.191,1142 4.221,1143 4.15,1144 4.117,1145 7.435,1146 4.121,1147 4.044,1148 4.078,1149 3.994,1150 3.9,1151 7.425,1152 3.909,1153 3.881,1154 3.914,1155 3.809,1156 3.774,1157 7.421,1158 3.784,1159 3.833,1160 3.882,1161 3.758,1162 3.691,1163 6.452,1164 3.7,1165 3.693,1166 3.741,1167 3.609,1168 3.498,1169 4.976,1170 3.518,1171 3.477,1172 3.529,1173 3.368,1174 3.352,1175 4.752,1176 3.345,1177 3.44,1178 3.49,1179 3.339,1180 3.302,1181 4.565,1182 3.306,1183 3.332,1184 3.372,1185 3.261,1186 3.138,1187 4.427,1188 3.156,1189 0.098,1190 0.089,1191 0.162,1192 0.096,1193 0.077,1194 4.879,1195 0.093,1196 4.459,1197 0.045,1198 8.108,1199 0.316,1200 4.791,1201 0.073,1202 3.839,1203 4.634,1204 2.23,1205 15.813,1206 3.651,1207 2.043,1208 2.022,1209 2.129,1210 2.122,1211 1.433,1212 2.126,1213 1.93,1214 1.901,1215 2.057,1216 2.039,1217 1.293,1218 2.041,1219 1.769,1220 1.728,1221 1.908,1222 1.933,1223 1.216,1224 1.926,1225 1.712,1226 1.675,1227 1.863,1228 1.906,1229 1.119,1230 1.888,1231 1.612,1232 1.57,1233 1.813,1234 1.836,1235 1.052,1236 1.818,1237 1.57,1238 1.509,1239 1.774,1240 1.754,1241 0.96,1242 1.783,1243 1.503,1244 1.455,1245 1.706,1246 1.7,1247 0.906,1248 1.703,1249 1.279,1250 1.212,1251 1.569,1252 1.523,1253 0.812,1254 1.535,1255 4.615,1257 6.033,1258 3.434,1259 7.652,1260 5.9,1261 9.371,1262 8.122,1263 11.147,1265 3.509,1270 12.045,1271 3.247,1272 2.871,1273 6.228,1275 -2.047,1276 5.034,1277 -3.881,1280 49.583,1281 121.052,1282 311.425,1283 413.997,1284 450.752,1285 460.752,1286 460.752,1287 102.819,1288 10.254,1289 118.21,1290 118.21,1291 45,1292 13.676,1293 4.392,1294 3.7,1295 53.767,1296 205,1297 205,1298 0.127,1299 289.922,1300 517.79,1301 699.169,1302 532843,1304 29.673,1305 0.69,1306 0.564,1307 29.673,1308 24.247,1309 20.676,1310 0.414,1311 0.302,1312 14.914,1313 19.925,1314 14.599,1315 11.887,1316 20.676,1317 15.118,1318 20.338,1319 0.257,1320 0.162,1321 20.338,1322 12.784,1323 18.595,1324 0.158,1325 0.086,1326 18.595,1327 10.132,1328 17.027,1329 0.097,1330 0.046,1331 17.027,1332 8.123,1333 14.492,1334 0.06,1335 0.025,1336 14.492,1337 6.02,1338 0.197,1339 129.507,1340 0.173,1341 37.25,1342 0.354,1343 258,1344 674.693,1345 285.851,1346 645.042,1347 896.76,1348 604,1349 326,1350 679.592,1351 356.906,1352 680.768,1353 1035.76,1354 645,1355 8.295} {0 CHEMBL442087,1 1.565,2 14.97,3 4.288,4 18.383,5 123.792,6 7.37,7 0.459,8 4.216,9 4.328,10 3.779,11 3.749,12 5.268,13 3.734,14 4.797,15 4.966,16 4.151,17 4.156,18 5.836,19 4.123,20 5.085,21 5.291,22 4.202,23 4.32,24 6.105,25 4.247,26 5.129,27 5.371,28 4.076,29 4.298,30 6.058,31 4.172,32 5.09,33 5.352,34 3.946,35 4.205,36 5.942,37 4.076,38 4.99,39 5.241,40 3.886,41 4.095,42 5.919,43 3.983,44 4.923,45 5.168,46 3.801,47 4.029,48 5.86,49 3.922,50 4.858,51 5.097,52 3.806,53 4.021,54 5.716,55 3.912,56 0.033,57 0.937,58 12.656,59 5.905,60 6.136,61 7.485,62 0.269,63 1.55,64 25.366,65 9.875,66 28.826,67 12.945,68 0.656,69 1.951,70 36.311,71 13,72 63.248,73 17.286,74 0.574,75 1.923,76 38.973,77 14.862,78 61.156,79 20.667,80 0.425,81 1.815,82 38.486,83 14.002,84 50.594,85 19.5,86 0.443,87 1.743,88 34.872,89 12.342,90 59.273,91 16.694,92 0.639,93 1.665,94 32.977,95 10.883,96 69.844,97 14.558,98 0.372,99 1.473,100 29.708,101 10.775,102 36.898,103 14.75,104 10,105 52,106 0.252,107 0.594,108 0.801,109 0.867,110 0.867,111 0.867,112 3.531,113 0.933,114 -4.22,115 -4.16,116 -3.93,119 42.6,120 1,121 3,122 1,125 5,140 7,141 2,142 4,144 2,156 1,169 9,172 9,174 1,176 1,178 13,181 2,182 5,184 1,186 2,189 9,192 1,193 6,197 2,199 9,203 8,208 1,211 2,215 8,220 2,222 1,225 1,226 7,233 4,237 3,240 1,244 4,248 1,249 5,256 7,259 1927,260 22.427,261 22.427,262 22.427,263 22.427,264 22.427,265 20.212,266 28.448,267 13.193,268 22.941,269 18.319,270 18.319,271 18.319,272 18.319,273 18.319,274 14.857,275 32.13,276 6.363,277 19.152,278 4.366,279 2.238,280 0.949,281 0.537,282 0.537,283 0.537,284 4.243,288 1,289 1,290 1099,291 3.082,295 489.833,299 326.196,302 2.342,303 34.551,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 72,315 494,316 4.548,317 3.653,318 6.542,319 4.061,320 3.092,321 4.495,322 2.03,323 10.363,324 2.994,325 4.305,326 3.263,327 6.214,328 3.932,329 2.968,330 3.931,331 0.892,332 9.355,333 2.864,334 3.766,335 3.05,336 5.59,337 3.649,338 2.681,339 3.23,340 0.86,341 7.691,342 2.599,343 3.751,344 2.895,345 5.346,346 3.358,347 2.402,348 2.992,349 0.8,350 6.897,351 2.299,352 3.582,353 2.708,354 5.301,355 3.311,356 2.356,357 2.89,358 0.141,359 6.76,360 2.242,361 3.505,362 2.655,363 5.02,364 3.139,365 2.153,366 2.683,368 5.964,369 2.105,370 3.419,371 2.582,372 4.977,373 3.052,374 2.114,375 2.569,377 5.918,378 1.959,379 3.25,380 2.155,381 4.904,382 2.899,383 1.922,384 2.536,386 5.637,387 1.868,388 3.074,389 2.09,390 4.819,391 2.806,392 1.846,393 2.107,395 5.293,396 1.764,397 2.884,398 1.921,399 4.381,400 2.505,401 1.564,402 2.009,404 4.26,405 1.466,406 2.623,407 1.564,408 3.936,409 2.241,410 1.314,411 1.662,413 3.229,414 1.207,415 2.159,416 1.337,417 3.414,418 1.984,419 1,420 1.123,422 2.275,423 0.983,424 2.012,425 1.164,426 3.409,427 1.925,428 0.969,429 1,431 2.273,432 0.92,433 2,434 1.077,435 3.297,436 1.717,437 0.795,438 0.935,440 1.861,441 0.724,442 1.409,443 0.718,444 3.006,445 1.218,446 0.263,447 0.286,449 0.663,450 0.249,451 15.486,452 0.469,453 0.814,454 0.025,455 40.75,456 1.235,457 19,458 0.576,459 21.75,460 0.659,461 30.469,462 0.923,463 36.114,464 0.592,465 29.739,466 0.901,467 7.826,468 0.237,469 8.204,470 0.249,471 0.072,473 0.349,477 1,479 0.701,480 1.198,481 0.759,482 1.133,483 0.538,484 0.989,485 0.909,486 1.079,487 0.88,488 1.024,489 0.555,490 0.956,491 1.015,492 0.953,493 1.078,494 0.994,495 0.914,496 1.031,497 0.561,498 0.932,499 0.904,500 1.1,501 0.445,502 1.084,503 0.769,504 0.922,505 0.898,506 0.983,507 0.638,508 0.973,509 1.055,510 1.122,511 1.022,512 1.047,513 1.016,514 1.034,515 1.296,516 0.965,517 1.209,518 0.95,519 1.389,520 1.034,521 0.874,522 0.931,523 1.005,524 1.024,525 0.713,526 1.039,527 7.5,528 0.194,529 3.111,530 1.938,531 1.947,532 0.896,533 0.644,534 0.392,535 0.262,536 0.197,537 19295,538 50710,539 2.15,540 45.9,541 3,542 17,545 1,546 3,547 4,550 1.744,551 2.041,552 3.812,553 -0.382,555 1,559 95.448,560 1.565,561 3.693,562 4.981,563 5.394,564 5.394,565 5.394,566 3.222,567 4.779,568 5.02,569 4.046,570 2136.54,571 8.74,572 34522,574 1,577 361.775,578 1.301,579 4.989,580 0.203,581 0.008,582 0.06,583 0.037,584 0.044,585 0.023,586 0.018,587 0.012,588 0.008,589 0.007,590 0.42,591 0.33,592 0.88,593 0.467,594 180.223,595 -0.022,596 -0.122,597 0.063,598 -0.054,599 -0.011,600 0.008,601 -0.041,602 -0.072,603 0.028,604 -0.015,605 0.064,606 0.014,607 -0.028,608 0.045,609 -0.119,610 -0.015,611 -0.029,612 -0.069,613 0.165,614 -0.058,615 0.044,616 -0.096,617 0.144,618 -0.063,619 -0.007,620 -0.068,621 0.075,622 0.001,623 0.021,624 0.044,625 -0.077,626 -0.122,627 -0.023,628 -0.063,629 -0.042,630 -0.04,631 -0.144,632 0.133,633 -0.187,634 0.01,635 -0.188,636 -0.076,637 -0.053,638 -0.048,639 -0.044,640 -0.048,641 -0.043,642 -0.046,643 1.996,644 5.987,645 0.788,646 37.715,647 1.005,648 1.129,649 2.99,650 8.942,651 0.659,652 3.638,653 3.97,654 4.22,655 4.5,656 4.771,657 4.804,658 4.844,659 5.004,660 5.043,661 5.063,662 8.873,663 0.63,664 449.57,665 3.638,666 5.187,667 6.033,668 6.911,669 7.77,670 8.649,671 9.514,672 10.394,673 11.26,674 12.14,675 4.9,678 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 61,716 18,717 2,718 37,720 65,721 26,722 15,723 7,724 5,730 5,731 7,736 1,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,762 1,764 28,765 7,766 1,767 7,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 33,833 8,834 1,835 2,837 1,838 1,846 1,847 4.9,850 1,852 2,854 16.167,855 11.21,856 7.083,857 3.845,858 3.439,859 1.408,860 1,861 6.477,862 11.873,863 3.861,864 4.454,865 4.996,866 5.585,867 6.165,868 6.414,869 6.645,870 7.009,871 7.188,872 6.98,873 0.9,874 52,875 12.286,877 5.328,878 7.737,879 23.744,881 20.085,883 2.237,884 73.833,887 1,888 317.82,889 135.993,890 37.921,892 47.145,893 14.96,895 135.993,896 364.964,897 52.881,898 8.825,899 41.116,900 66.334,901 46.635,902 58.148,903 14.96,904 317.82,906 317.82,907 173.914,908 62.105,911 285.695,912 94.229,915 57.967,916 99.162,917 16.786,919 332.78,920 85.065,921 135.993,924 317.82,925 60.834,926 78.283,927 18.011,928 78.89,929 317.82,930 100.025,931 135.993,933 0.585,934 0.332,935 0.183,936 0.108,937 26,938 11,939 0.092,940 6,941 2,942 1.154,943 4.612,944 299.048,945 0.154,946 26,947 162.465,951 22.121,952 9.662,953 5.286,954 1.464,955 100.025,956 12.824,957 4.407,961 3.817,963 18.011,964 553.838,965 46.5,970 11.561,974 -0.104,975 61.287,976 68.86,977 0.264,978 0.623,979 0.84,980 0.909,981 0.909,982 0.909,983 5.113,984 1.922,985 6.014,986 5.918,987 4.654,988 5.142,989 2.496,990 6.795,991 4.571,992 6.305,993 1.846,994 7.549,995 5.637,996 4.205,997 4.987,998 1.668,999 7.582,1000 4.092,1001 7.606,1002 1.564,1003 9.175,1004 5.293,1005 6.225,1006 7.322,1007 3.324,1008 10.661,1009 6.07,1010 8.935,1011 1.314,1012 10.855,1013 4.26,1014 6.538,1015 7.972,1016 3.213,1017 12.263,1018 6.355,1019 10.295,1020 1,1021 12.568,1022 3.229,1023 8.039,1024 9.826,1025 4.506,1026 14.86,1027 7.82,1028 11.677,1029 0.969,1030 14.307,1031 2.275,1032 8.735,1033 10.885,1034 4.752,1035 16.844,1036 8.487,1037 13.077,1038 0.795,1039 16.066,1040 2.273,1041 10.009,1042 12.534,1043 5.816,1044 19.263,1045 9.728,1046 3.092,1047 0.263,1048 17.84,1049 1.861,1050 10.907,1051 13.809,1052 6.248,1053 21.429,1054 10.594,1055 2.968,1056 10.363,1057 19.628,1058 0.663,1059 12.079,1060 15.366,1061 7.175,1062 23.782,1063 11.736,1064 2.681,1065 9.355,1066 21.427,1067 4.495,1068 13.081,1069 16.75,1070 7.714,1071 26.031,1072 12.705,1073 2.402,1074 7.691,1075 23.236,1076 3.931,1077 14.21,1078 18.267,1079 8.557,1080 28.361,1081 13.804,1082 2.356,1083 6.897,1084 25.054,1085 3.23,1086 15.265,1087 19.705,1088 9.16,1089 30.649,1090 14.826,1091 2.153,1092 6.76,1093 26.879,1094 2.992,1095 16.378,1096 21.207,1097 9.952,1098 32.972,1099 15.909,1100 2.114,1101 5.964,1102 28.71,1103 2.89,1104 17.46,1105 22.673,1106 10.594,1107 35.278,1108 16.958,1109 17675,1110 28832,1111 25.255,1112 40.216,1113 54.919,1114 56.779,1115 55.994,1116 54.892,1117 54.876,1118 68.892,1119 9.447,1120 156.877,1121 52.482,1122 5.548,1123 5.653,1124 6.081,1125 5.169,1126 5.092,1127 7.495,1128 3.634,1129 17.34,1130 4.994,1131 14.006,1132 1.484,1133 1.535,1134 1.513,1135 1.484,1136 1.483,1137 1.862,1138 0.255,1139 4.24,1140 1.418,1141 4.084,1142 4.109,1143 4.051,1144 4.001,1145 8.201,1146 4.01,1147 3.997,1148 4.027,1149 3.939,1150 3.907,1151 7.429,1152 3.909,1153 3.84,1154 3.894,1155 3.73,1156 3.691,1157 4.981,1158 3.691,1159 3.57,1160 3.614,1161 3.482,1162 3.43,1163 4.845,1164 3.433,1165 3.524,1166 3.566,1167 3.443,1168 3.334,1169 4.572,1170 3.354,1171 3.414,1172 3.465,1173 3.285,1174 3.228,1175 4.349,1176 3.235,1177 3.135,1178 3.206,1179 3.031,1180 2.965,1181 4.233,1182 2.967,1183 3.111,1184 3.193,1185 2.911,1186 2.941,1187 4.073,1188 2.91,1189 0.123,1190 0.099,1191 0.177,1192 0.11,1193 0.084,1194 4.548,1195 0.121,1196 3.653,1197 0.055,1198 6.542,1199 0.28,1200 4.061,1201 0.081,1202 3.092,1203 4.495,1204 2.03,1205 10.363,1206 2.994,1207 2.028,1208 2.008,1209 2.109,1210 2.126,1211 1.478,1212 2.117,1213 1.96,1214 1.932,1215 2.09,1216 2.083,1217 1.218,1218 2.089,1219 1.811,1220 1.76,1221 1.968,1222 1.989,1223 1.154,1224 1.984,1225 1.534,1226 1.492,1227 1.745,1228 1.732,1229 1.006,1230 1.736,1231 1.468,1232 1.421,1233 1.688,1234 1.665,1235 0.825,1236 1.67,1237 1.377,1238 1.328,1239 1.598,1240 1.59,1241 0.796,1242 1.601,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.774,1248 1.429,1249 1.111,1250 1.049,1251 1.396,1252 1.326,1253 0.633,1254 1.345,1255 4.317,1257 5.645,1259 7.165,1261 8.776,1263 10.435,1265 1.895,1267 13.987,1271 6.675,1272 2.885,1273 11.404,1275 0.613,1276 2.404,1280 38.44,1281 95.448,1282 225.279,1283 303.859,1284 329.02,1285 329.02,1286 329.02,1287 58.365,1288 8.434,1289 63.69,1290 63.69,1291 30,1292 12.679,1293 4.248,1294 3.392,1295 48.353,1296 181,1297 144,1298 0.128,1299 230.428,1300 405.54,1301 554.003,1302 70228,1303 1.6,1304 22.786,1305 0.69,1306 0.569,1307 21.916,1308 18.773,1309 16.03,1310 0.433,1311 0.311,1312 11.34,1313 15.349,1314 11.096,1315 9.108,1316 15.636,1317 11.51,1318 14.85,1319 0.286,1320 0.172,1321 14.204,1322 8.928,1323 12.123,1324 0.181,1325 0.096,1326 11.863,1327 6.446,1328 10.386,1329 0.117,1330 0.053,1331 10.025,1332 4.679,1333 8.855,1334 0.076,1335 0.03,1336 8.573,1337 3.485,1338 0.211,1339 100.869,1340 0.199,1341 31.561,1342 0.325,1343 178,1344 554.941,1345 197.32,1346 501.868,1347 679.8,1348 472,1349 208,1350 493.062,1351 226.983,1352 490.107,1353 718.45,1354 462,1355 6.4} {0 CHEMBL442974,1 1.569,2 13.969,3 3.511,4 12.324,5 124.307,6 7.365,7 0.444,8 4.184,9 4.307,10 3.747,11 3.724,12 5.253,13 3.705,14 4.759,15 4.935,16 4.133,17 4.148,18 5.824,19 4.114,20 5.023,21 5.223,22 4.199,23 4.326,24 6.034,25 4.256,26 5.117,27 5.341,28 4.122,29 4.341,30 6.066,31 4.23,32 5.132,33 5.393,34 4.028,35 4.269,36 6.019,37 4.139,38 5.063,39 5.321,40 3.889,41 4.169,42 5.932,43 4.038,44 4.987,45 5.252,46 3.811,47 4.077,48 5.901,49 3.941,50 4.892,51 5.174,52 3.615,53 3.956,54 5.74,55 3.808,56 0.056,57 0.945,58 12.303,59 5.565,60 9.737,61 7.199,62 0.257,63 1.551,64 24.33,65 9.3,66 33.233,67 12.449,68 0.352,69 1.926,70 33.139,71 12.6,72 49.489,73 16.775,74 0.447,75 2.022,76 37.177,77 13.864,78 52.341,79 19.284,80 0.437,81 1.973,82 39.481,83 14.159,84 56.27,85 20.235,86 0.471,87 1.794,88 37.375,89 12.997,90 62.44,91 18.122,92 0.536,93 1.617,94 34.914,95 11.927,96 67.105,97 17.066,98 0.427,99 1.531,100 32.425,101 10.967,102 58.151,103 15.465,104 18,105 52,106 0.254,107 0.627,108 0.829,109 0.894,110 0.894,111 0.894,112 3.502,113 0.923,114 -4.29,115 -4.23,116 -3.99,119 42.4,121 3,124 1,125 4,127 1,134 1,135 1,140 6,141 4,142 1,144 1,150 1,156 1,161 1,162 1,163 1,164 1,169 11,172 11,173 1,174 1,176 1,178 14,180 1,182 11,186 2,189 11,191 2,192 1,193 9,197 2,199 10,201 2,202 1,203 6,208 2,211 6,213 2,214 1,215 6,222 2,225 1,226 6,228 1,229 1,231 1,233 6,235 1,237 1,244 9,248 2,249 2,251 1,252 1,256 8,259 1686,260 21.67,261 21.67,262 21.67,263 21.67,264 21.67,265 19.379,266 24.724,267 12.503,268 22.043,269 17.759,270 17.759,271 17.759,272 17.759,273 17.759,274 14.196,275 24.852,276 5.923,277 18.378,278 4.313,279 2.004,280 0.75,281 0.352,282 0.352,283 0.352,284 4.211,288 1,289 1,290 991,291 3.24,294 72.67,295 358.07,298 135.983,299 147.95,302 2.039,303 32.741,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69.5,315 447,316 4.686,317 3.522,318 6.841,319 4.223,320 3.248,321 4.647,322 1.151,323 11.369,324 3.166,325 4.384,326 3.369,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.984,335 3.318,336 5.968,337 3.655,338 2.679,339 3.396,340 0.916,341 8.355,342 2.635,343 3.93,344 2.979,345 5.903,346 3.613,347 2.627,348 3.265,349 0.172,350 8.138,351 2.564,352 3.613,353 2.783,354 5.358,355 3.299,356 2.362,357 2.988,359 6.936,360 2.205,361 3.439,362 2.516,363 5.142,364 3.116,365 2.177,366 2.624,368 6.013,369 2.032,370 3.228,371 2.441,372 5.048,373 2.957,374 1.989,375 2.375,377 5.925,378 1.916,379 3.122,380 1.98,381 4.954,382 2.746,383 1.776,384 2.218,386 5.385,387 1.715,388 2.882,389 1.929,390 4.35,391 2.53,392 1.569,393 1.969,395 3.859,396 1.499,397 2.749,398 1.792,399 4.187,400 2.262,401 1.296,402 1.815,404 3.774,405 1.247,406 2.598,407 1.459,408 3.783,409 2.179,410 1.182,411 1.568,413 2.833,414 1.163,415 2.314,416 1.387,417 3.595,418 2.003,419 1.031,420 1.237,422 2.428,423 0.995,424 2.212,425 1.17,426 3.441,427 1.984,428 1,429 1.157,431 2.275,432 0.983,433 2.061,434 0.976,435 3.414,436 1.844,437 0.868,438 1.033,440 2.178,441 0.844,442 1.662,443 0.752,444 3.148,445 1.518,446 0.551,447 0.602,449 1.334,450 0.53,451 15.052,452 0.47,453 0.853,454 0.027,455 37.75,456 1.18,457 17,458 0.531,459 20.75,460 0.648,461 30.289,462 0.947,463 34.748,464 0.589,465 29.185,466 0.912,467 7.475,468 0.234,469 8.016,470 0.251,471 0.101,473 0.385,477 1,479 0.665,480 1.112,481 0.768,482 1.066,483 0.594,484 0.957,485 0.9,486 1,487 0.859,488 0.929,489 0.501,490 0.887,491 1.039,492 1.029,493 1.024,494 1.031,495 0.827,496 1.025,497 0.779,498 1.027,499 1.082,500 1.174,501 0.715,502 1.186,503 0.665,504 0.925,505 0.927,506 1.051,507 0.565,508 1.042,509 0.982,510 0.951,511 1.073,512 1.049,513 0.876,514 1.075,515 0.772,516 0.879,517 0.975,518 0.978,519 0.708,520 1.01,521 0.999,522 0.922,523 1.04,524 0.935,525 0.986,526 0.981,527 6.5,528 0.18,529 4.222,530 2.326,531 2.027,532 1.164,533 0.593,534 0.452,535 0.223,536 0.238,537 16311,538 43416,539 2.135,540 45.8,542 19,545 2,547 4,548 2,550 1.738,551 2,552 3.712,553 0.177,555 1,559 92.598,560 1.569,561 3.879,562 5.132,563 5.531,564 5.531,565 5.531,566 3.183,567 4.625,568 4.974,569 3.917,570 1942.86,571 8.662,572 29336.9,574 1,577 347.076,578 1.406,579 4.933,580 0.181,581 0.007,582 0.081,583 0.043,584 0.043,585 0.028,586 0.016,587 0.014,588 0.008,589 0.01,590 0.431,591 0.17,592 0.88,593 0.688,594 170.791,595 0.004,596 -0.022,597 0.058,598 -0.002,599 -0.04,600 0.03,601 -0.05,602 0.016,603 0.044,604 0.079,605 0.094,606 0.082,607 -0.126,608 -0.027,609 -0.09,610 -0.018,611 -0.03,612 -0.041,614 -0.103,615 -0.149,616 -0.177,617 -0.028,618 -0.192,619 0.058,620 -0.058,621 0.035,622 -0.071,623 0.054,624 -0.033,625 -0.077,626 -0.05,627 -0.087,628 -0.076,629 -0.083,630 -0.082,631 0.059,632 -0.055,633 0.01,634 -0.016,635 0.039,636 -0.014,637 -0.088,638 0.02,639 -0.031,640 0.034,641 -0.079,642 0.02,643 2.058,644 5.612,645 0.781,646 33.563,647 1.003,648 1.131,649 3.064,650 9.385,651 0.661,652 3.611,653 3.97,654 4.277,655 4.564,656 4.836,657 4.92,658 5.056,659 5.136,660 5.209,661 5.247,662 8.063,663 0.631,664 434.56,665 3.611,666 5.176,667 6.047,668 6.942,669 7.831,670 8.729,671 9.624,672 10.524,673 11.422,674 12.322,675 6.8,678 1,682 1,683 1,685 1,687 2,688 6,689 1,693 5,694 1,695 16,701 1,713 1,714 59,716 18,717 2,718 36,720 63,721 25,722 13,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 16,746 9,750 2,755 1,757 1,759 2,761 1,762 1,764 27,765 6,766 2,767 7,773 4,777 0.6,778 2,784 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,823 1,825 1,827 32,828 1,833 7,835 1,837 1,838 1,846 1,847 3.4,850 1,851 1,854 16,855 10.826,856 6.861,857 3.641,858 3.568,859 1.421,860 1.02,861 5.746,862 12.044,863 3.85,864 4.474,865 5.085,866 5.688,867 6.231,868 6.536,869 6.886,870 7.128,871 7.179,872 7.324,873 1,874 54,875 11.894,877 5.197,878 7.76,879 22.967,881 19.638,883 2.26,884 72.333,887 1,888 294.278,889 127.285,890 54.461,892 36.145,893 14.96,895 127.285,896 330.422,897 69.421,898 8.396,899 51.41,900 66.334,901 57.512,902 32.094,903 17.104,904 294.278,906 294.278,907 181.746,908 51.105,911 238.611,912 95.772,913 11,915 59.068,916 96.539,917 26.139,919 309.238,920 90.606,921 127.285,924 294.278,925 52.555,926 79.631,928 100.665,929 294.278,930 105.566,931 127.285,933 0.592,934 0.35,935 0.189,936 0.11,937 27,938 12,939 0.079,940 5,941 2,942 1.16,943 4.387,944 298.415,945 0.16,946 25,947 160,951 21.173,952 8.685,953 4.206,954 1.812,955 103.789,956 10.547,957 4.654,961 3.603,962 1.752,963 32.897,964 527.129,965 46,970 11.475,972 2.24,974 0.828,975 59.178,976 66.734,977 0.267,978 0.659,979 0.872,980 0.94,981 0.94,982 0.94,983 5.118,984 1.776,985 6.047,986 5.925,987 4.654,988 5.162,989 1.956,990 6.887,991 4.592,992 6.333,993 1.569,994 7.625,995 5.385,996 4.29,997 5.066,998 0.325,999 7.835,1000 4.197,1001 7.656,1002 1.296,1003 9.301,1004 3.859,1005 6.279,1006 7.393,1007 1.989,1008 10.945,1009 6.169,1010 9.013,1011 1.182,1012 11.034,1013 3.774,1014 6.723,1015 8.146,1016 0.393,1017 12.733,1018 6.592,1019 10.404,1020 1.031,1021 12.804,1022 2.833,1023 8.193,1024 9.974,1025 2.094,1026 15.367,1027 8.045,1028 11.82,1029 1,1030 14.601,1031 2.428,1032 9.011,1033 11.128,1034 0.384,1035 17.509,1036 8.846,1037 13.255,1038 0.868,1039 16.417,1040 2.275,1041 10.277,1042 12.761,1043 2.241,1044 19.986,1045 10.094,1046 3.248,1047 0.551,1048 18.248,1049 2.178,1050 11.272,1051 14.11,1052 0.351,1053 22.28,1054 11.072,1055 3.077,1056 11.369,1057 20.092,1058 1.334,1059 12.46,1060 15.668,1061 2.418,1062 24.706,1063 12.24,1064 2.679,1065 10.291,1066 21.945,1067 4.647,1068 13.539,1069 17.109,1070 0.312,1071 27.065,1072 13.3,1073 2.627,1074 8.355,1075 23.806,1076 4.006,1077 14.699,1078 18.64,1079 2.619,1080 29.477,1081 14.44,1082 2.362,1083 8.138,1084 25.675,1085 3.396,1086 15.817,1087 20.125,1088 0.273,1089 31.865,1090 15.537,1091 2.177,1092 6.936,1093 27.55,1094 3.265,1095 16.97,1096 21.65,1097 2.839,1098 34.275,1099 16.669,1100 1.989,1101 6.013,1102 29.429,1103 2.988,1104 18.109,1105 23.157,1106 0.236,1107 36.678,1108 17.785,1109 15090,1110 24748,1111 24.274,1112 39.006,1113 55.396,1114 56.134,1115 56.655,1116 54.984,1117 54.866,1118 69.8,1119 6.439,1120 162.185,1121 53.062,1122 5.651,1123 5.522,1124 6.378,1125 5.308,1126 5.248,1127 7.647,1128 2.302,1129 18.68,1130 5.166,1131 15.736,1132 1.539,1133 1.559,1134 1.574,1135 1.527,1136 1.524,1137 1.939,1138 0.179,1139 4.505,1140 1.474,1141 4.142,1142 4.181,1143 4.113,1144 4.036,1145 8.201,1146 4.049,1147 4.014,1148 4.037,1149 3.958,1150 3.941,1151 7.437,1152 3.942,1153 3.816,1154 3.874,1155 3.72,1156 3.684,1157 5.002,1158 3.685,1159 3.581,1160 3.617,1161 3.497,1162 3.421,1163 4.904,1164 3.429,1165 3.449,1166 3.515,1167 3.375,1168 3.257,1169 4.747,1170 3.266,1171 3.373,1172 3.448,1173 3.221,1174 3.186,1175 4.425,1176 3.191,1177 3.226,1178 3.29,1179 3.099,1180 3.005,1181 4.374,1182 3.018,1183 3.099,1184 3.169,1185 2.966,1186 2.917,1187 4.244,1188 2.919,1189 0.13,1190 0.098,1191 0.19,1192 0.117,1193 0.09,1194 4.686,1195 0.129,1196 3.522,1197 0.032,1198 6.841,1199 0.316,1200 4.223,1201 0.088,1202 3.248,1203 4.647,1204 1.151,1205 11.369,1206 3.166,1207 1.987,1208 1.966,1209 2.097,1210 2.089,1211 1.38,1212 2.093,1213 1.952,1214 1.931,1215 2.045,1216 2.041,1217 1.298,1218 2.043,1219 1.814,1220 1.764,1221 1.963,1222 1.983,1223 1.143,1224 1.979,1225 1.552,1226 1.508,1227 1.753,1228 1.762,1229 1.04,1230 1.754,1231 1.433,1232 1.365,1233 1.668,1234 1.698,1235 0.859,1236 1.685,1237 1.367,1238 1.287,1239 1.648,1240 1.577,1241 0.717,1242 1.607,1243 1.152,1244 1.097,1245 1.434,1246 1.437,1247 0.689,1248 1.427,1249 1.097,1250 1.03,1251 1.367,1252 1.307,1253 0.524,1254 1.353,1255 4.29,1257 5.638,1258 2.398,1259 7.182,1260 4.844,1261 8.813,1262 7.034,1263 10.491,1265 1.857,1267 13.612,1269 5.425,1271 6.021,1273 6.045,1275 0.042,1276 2.42,1280 37.22,1281 92.598,1282 228.856,1283 302.811,1284 326.321,1285 326.321,1286 326.321,1287 55.819,1288 8.476,1289 73.38,1290 73.38,1291 29,1292 12.844,1293 4.248,1294 3.459,1295 46.115,1296 159,1297 136,1298 0.142,1299 223.633,1300 390.45,1301 537.425,1302 67763,1303 1.7,1304 22.242,1305 0.695,1306 0.568,1307 21.372,1308 18.182,1309 15.491,1310 0.43,1311 0.308,1312 10.917,1313 14.858,1314 10.682,1315 8.742,1316 15.097,1317 11.076,1318 14.413,1319 0.277,1320 0.165,1321 13.779,1322 8.59,1323 12.365,1324 0.174,1325 0.093,1326 12.022,1327 6.583,1328 10.406,1329 0.11,1330 0.051,1331 10.199,1332 4.826,1333 8.956,1334 0.072,1335 0.029,1336 8.604,1337 3.579,1338 0.229,1339 97.268,1340 0.203,1341 30.332,1342 0.369,1343 176,1344 523.83,1345 192.832,1346 479.662,1347 653.56,1348 450,1349 211,1350 479.287,1351 227.829,1352 478.904,1353 706.1,1354 452,1355 7.292} {0 CHEMBL443060,1 1.579,2 15.143,3 3.726,4 13.88,5 132.713,6 7.252,7 0.436,8 4.291,9 4.409,10 3.843,11 3.79,12 5.332,13 3.778,14 4.878,15 5.066,16 4.212,17 4.182,18 5.875,19 4.16,20 5.132,21 5.337,22 4.34,23 4.367,24 6.177,25 4.318,26 5.215,27 5.434,28 4.268,29 4.394,30 6.251,31 4.303,32 5.255,33 5.507,34 4.145,35 4.327,36 6.281,37 4.22,38 5.141,39 5.39,40 3.969,41 4.201,42 6.1,43 4.087,44 5.016,45 5.274,46 3.886,47 4.115,48 5.896,49 3.997,50 4.964,51 5.214,52 3.879,53 4.12,54 5.754,55 4.004,56 0.024,57 1.033,58 14.119,59 6.161,60 6.657,61 8.119,62 0.358,63 1.683,64 28.676,65 9.612,66 25.251,67 13.348,68 0.734,69 2.113,70 38.312,71 12.834,72 55.12,73 17.604,74 0.652,75 2.253,76 42.323,77 15.643,78 70.868,79 20.975,80 0.785,81 2.199,82 46.222,83 15.598,84 106.493,85 21.24,86 0.768,87 2.034,88 41.612,89 13.661,90 83.882,91 18.321,92 0.638,93 1.75,94 36.028,95 11.598,96 61.33,97 16.619,98 0.413,99 1.591,100 33.206,101 11.465,102 33.325,103 16.436,104 18,105 55,106 0.25,107 0.547,108 0.746,109 0.839,110 0.863,111 0.863,112 3.588,113 0.94,114 -3.66,115 -3.63,116 -3.46,119 40.9,120 2,125 9,140 7,141 2,142 4,144 2,156 1,169 6,171 1,172 9,178 6,181 4,182 8,189 4,192 1,193 7,199 5,202 1,203 6,211 4,214 2,215 5,222 2,225 2,226 4,236 1,237 3,248 1,249 4,259 2165,260 23.955,261 23.955,262 23.955,263 23.955,264 23.955,265 21.733,266 30.134,267 13.94,268 24.64,269 19.164,270 19.164,271 19.164,272 19.164,273 19.164,274 15.735,275 37.744,276 6.497,277 20.248,278 4.465,279 2.589,280 1.336,281 0.75,282 0.599,283 0.599,284 4.297,289 1,290 1169,291 3.317,295 519.999,299 346.996,302 2.359,303 38.528,306 1,307 0.83,308 1,309 1,310 0.5,311 1,312 1,313 0.9,314 76.5,315 530,316 4.554,317 3.834,318 6.932,319 4.204,320 3.255,321 4.458,322 2.055,323 11.618,324 3.08,325 4.516,326 3.347,327 6.517,328 4.026,329 3.054,330 4.204,331 0.933,332 10.248,333 2.968,334 3.911,335 3.185,336 6.007,337 3.674,338 2.73,339 3.175,340 0.916,341 8.476,342 2.584,343 3.719,344 2.995,345 5.568,346 3.492,347 2.547,348 3.17,349 0.86,350 7.368,351 2.39,352 3.64,353 2.747,354 5.423,355 3.29,356 2.343,357 2.78,358 0.8,359 6.889,360 2.218,361 3.479,362 2.614,363 5.322,364 3.177,365 2.231,366 2.636,367 0.51,368 6.712,369 2.108,370 3.298,371 2.533,372 5.108,373 2.974,374 2.06,375 2.598,376 0.172,377 6.167,378 1.876,379 3.181,380 2.31,381 4.813,382 2.844,383 1.888,384 2.302,386 5.292,387 1.796,388 3.034,389 2.146,390 4.761,391 2.717,392 1.75,393 2.218,395 4.927,396 1.675,397 2.988,398 1.827,399 4.196,400 2.512,401 1.524,402 2.093,404 3.817,405 1.504,406 2.494,407 1.6,408 4.081,409 2.235,410 1.296,411 1.49,413 3.183,414 1.203,415 2.486,416 1.468,417 3.528,418 2.156,419 1.226,420 1.47,422 2.714,423 1.13,424 2.142,425 1.447,426 3.414,427 1.967,428 1,429 1.086,431 2.275,432 0.965,433 2,434 1.146,435 3.324,436 1.839,437 0.87,438 1,440 2.01,441 0.839,442 1.861,443 0.971,444 3.171,445 1.586,446 0.648,447 0.73,449 1.37,450 0.599,451 16.386,452 0.468,453 0.815,454 0.023,455 42.75,456 1.221,457 19,458 0.543,459 23.75,460 0.679,461 33.478,462 0.957,463 38.814,464 0.588,465 33.512,466 0.957,467 8.544,468 0.244,469 8.485,470 0.242,471 0.099,473 0.348,477 1,479 0.714,480 1.377,481 0.769,482 1.236,483 0.54,484 1.052,485 1.033,486 1.052,487 0.885,488 0.912,489 0.617,490 0.86,491 1.011,492 0.931,493 0.985,494 0.929,495 0.875,496 0.937,497 0.962,498 1.193,499 1.026,500 1.199,501 1.103,502 1.146,503 1.135,504 1.041,505 1.026,506 0.994,507 1.119,508 0.994,509 1.425,510 1.186,511 1.215,512 1.04,513 1.559,514 1.082,515 0.99,516 0.94,517 1.082,518 0.966,519 1.068,520 1.024,521 0.789,522 0.853,523 0.988,524 0.983,525 0.497,526 1.013,527 6.5,528 0.194,529 4.222,530 2.5,531 2.418,532 1.028,533 0.746,534 0.451,535 0.25,536 0.253,537 21709,538 54764,539 2.123,540 47,542 25,546 3,547 3,550 1.759,551 2,552 3.812,553 -0.765,559 104.213,560 1.579,561 3.456,562 4.708,563 5.294,564 5.446,565 5.446,566 3.226,567 5.015,568 5.105,569 4.062,570 2417.1,571 8.913,572 40377.3,577 398.93,578 1.366,579 5.067,580 0.167,581 0.008,582 0.077,583 0.042,584 0.046,585 0.022,586 0.02,587 0.013,588 0.007,589 0.008,590 0.408,591 0.5,592 0.75,593 0.651,594 193.887,595 -0.009,596 -0.257,597 0.078,598 -0.132,599 -0.012,600 -0.034,601 -0.085,602 -0.012,603 0.058,604 0.069,605 0.008,606 0.093,607 0.036,608 0.11,609 -0.014,610 0.047,611 0.036,612 0.017,613 0.079,614 -0.118,615 -0.05,616 -0.168,617 0.035,618 -0.143,619 -0.02,620 -0.031,621 -0.01,622 -0.011,623 0.058,624 -0.01,625 -0.143,626 -0.032,627 -0.175,628 -0.054,629 -0.185,630 -0.112,631 -0.037,632 0.066,633 -0.089,634 -0.009,635 -0.098,636 -0.052,637 -0.054,638 0.008,639 -0.04,640 -0.01,641 -0.013,642 -0.019,643 2.02,644 7.325,645 0.743,646 40.661,647 1.004,648 1.133,649 2.431,650 5.909,651 0.651,652 3.689,653 4.025,654 4.331,655 4.605,656 4.86,657 4.875,658 4.963,659 5.094,660 5.176,661 5.187,662 9.026,663 0.621,664 478.62,665 3.689,666 5.242,667 6.107,668 6.993,669 7.872,670 8.761,671 9.645,672 10.535,673 11.422,674 12.313,675 6.1,678 2,682 1,685 1,687 2,688 7,689 1,693 6,695 17,712 2,713 1,714 66,716 18,717 2,718 39,720 70,721 27,722 15,723 7,724 5,730 5,731 7,736 2,745 16,746 11,750 1,755 1,759 1,762 1,764 31,765 8,767 8,773 4,777 0.6,778 3,786 1,793 5,797 2,806 1,815 2,819 3,823 2,825 1,827 35,833 9,835 2,838 3,846 1,847 4.5,850 1,852 2,854 17.5,855 12.526,856 7.694,857 4.234,858 3.445,859 1.401,860 0.992,861 7.189,862 12.041,863 3.902,864 4.489,865 5.067,866 5.637,867 6.19,868 6.41,869 6.681,870 6.993,871 7.224,872 6.99,873 0.9,874 60,875 13.078,877 5.646,878 7.714,879 25.183,881 20.975,883 2.214,884 77.5,888 364.904,889 145.638,890 26.158,892 47.145,893 14.96,895 145.638,896 412.049,897 41.119,898 17.65,899 27.049,900 66.334,901 46.635,902 61.272,903 14.96,904 364.904,906 364.904,907 171.796,908 62.105,911 344.551,912 82.458,915 55.849,916 99.162,917 16.786,919 379.864,920 73.303,921 145.638,924 364.904,925 61.653,926 93.357,928 78.89,929 364.904,930 88.263,931 145.638,933 0.583,934 0.353,935 0.196,936 0.109,937 27,938 12,939 0.1,940 7,941 2,942 1.154,943 4.666,944 329.064,945 0.154,946 26,947 173.525,951 23.989,952 10.489,953 5.13,954 1.979,955 88.263,956 13.592,957 4.571,961 2.808,964 598.805,965 48.5,970 12.137,974 -0.207,975 66.272,976 74.774,977 0.261,978 0.572,979 0.779,980 0.876,981 0.901,982 0.901,983 5.16,984 1.888,985 6.094,986 6.167,987 4.71,988 5.176,989 2.659,990 6.921,991 4.604,992 6.352,993 1.75,994 7.662,995 5.292,996 4.29,997 5.027,998 1.803,999 7.861,1000 4.137,1001 7.66,1002 1.524,1003 9.331,1004 4.927,1005 6.319,1006 7.366,1007 3.398,1008 10.979,1009 6.116,1010 9.003,1011 1.296,1012 11.061,1013 3.817,1014 6.723,1015 8.064,1016 3.314,1017 12.77,1018 6.472,1019 10.381,1020 1.226,1021 12.829,1022 3.183,1023 8.211,1024 9.901,1025 4.575,1026 15.423,1027 7.917,1028 11.783,1029 1,1030 14.627,1031 2.714,1032 9.006,1033 11.002,1034 4.857,1035 17.578,1036 8.664,1037 13.205,1038 0.87,1039 16.446,1040 2.275,1041 10.28,1042 12.638,1043 5.904,1044 20.079,1045 9.897,1046 3.255,1047 0.648,1048 18.281,1049 2.01,1050 11.264,1051 13.936,1052 6.371,1053 22.393,1054 10.833,1055 3.054,1056 11.618,1057 20.131,1058 1.37,1059 12.455,1060 15.483,1061 7.288,1062 24.844,1063 11.981,1064 2.73,1065 10.248,1066 21.993,1067 4.458,1068 13.529,1069 16.876,1070 7.856,1071 27.226,1072 13.007,1073 2.547,1074 8.476,1075 23.864,1076 4.204,1077 14.691,1078 18.384,1079 8.696,1080 29.663,1081 14.124,1082 2.343,1083 7.368,1084 25.743,1085 3.175,1086 15.809,1087 19.822,1088 9.324,1089 32.075,1090 15.192,1091 2.231,1092 6.889,1093 27.629,1094 3.17,1095 16.963,1096 21.313,1097 10.117,1098 34.511,1099 16.3,1100 2.06,1101 6.712,1102 29.521,1103 2.78,1104 18.102,1105 22.772,1106 10.781,1107 36.938,1108 17.388,1109 20067,1110 32062,1111 26.353,1112 42.983,1113 57.962,1114 60.068,1115 60.257,1116 57.899,1117 57.913,1118 71.977,1119 12.494,1120 168.419,1121 54.84,1122 5.554,1123 5.834,1124 6.511,1125 5.312,1126 5.255,1127 7.458,1128 3.661,1129 18.973,1130 5.08,1131 16.502,1132 1.486,1133 1.54,1134 1.545,1135 1.485,1136 1.485,1137 1.846,1138 0.32,1139 4.318,1140 1.406,1141 4.081,1142 4.107,1143 4.042,1144 4.001,1145 8.201,1146 4.007,1147 4.007,1148 4.035,1149 3.971,1150 3.894,1151 7.427,1152 3.908,1153 3.827,1154 3.894,1155 3.718,1156 3.624,1157 5.016,1158 3.637,1159 3.598,1160 3.65,1161 3.507,1162 3.43,1163 4.779,1164 3.431,1165 3.538,1166 3.585,1167 3.44,1168 3.404,1169 4.581,1170 3.413,1171 3.41,1172 3.48,1173 3.262,1174 3.216,1175 4.379,1176 3.216,1177 3.34,1178 3.398,1179 3.159,1180 3.127,1181 4.248,1182 3.126,1183 3.111,1184 3.206,1185 2.995,1186 2.955,1187 4.165,1188 2.948,1189 0.117,1190 0.098,1191 0.178,1192 0.108,1193 0.083,1194 4.554,1195 0.114,1196 3.834,1197 0.053,1198 6.932,1199 0.298,1200 4.204,1201 0.079,1202 3.255,1203 4.458,1204 2.055,1205 11.618,1206 3.08,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.342,1212 2.12,1213 1.937,1214 1.914,1215 2.041,1216 2.084,1217 1.221,1218 2.072,1219 1.771,1220 1.702,1221 1.957,1222 1.994,1223 1.177,1224 1.986,1225 1.553,1226 1.499,1227 1.806,1228 1.762,1229 1.008,1230 1.774,1231 1.53,1232 1.48,1233 1.743,1234 1.693,1235 0.937,1236 1.71,1237 1.394,1238 1.325,1239 1.67,1240 1.614,1241 0.825,1242 1.638,1243 1.306,1244 1.25,1245 1.563,1246 1.553,1247 0.804,1248 1.561,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.741,1254 1.429,1255 4.369,1257 5.7,1259 7.239,1261 8.877,1263 10.566,1265 3.835,1267 15.325,1271 5.825,1273 11.533,1276 6.101,1280 40.988,1281 104.213,1282 228.078,1283 310.749,1284 349.42,1285 359.42,1286 359.42,1287 68.081,1288 8.595,1289 58.14,1290 58.14,1291 30,1292 12.842,1293 4.248,1294 3.392,1295 52.756,1296 197,1297 172,1298 0.13,1299 246.814,1300 433.84,1301 593.987,1302 84767,1303 1.5,1304 24.363,1305 0.696,1306 0.58,1307 23.493,1308 20.297,1309 17.029,1310 0.437,1311 0.313,1312 12.006,1313 16.226,1314 11.719,1315 9.625,1316 16.602,1317 12.216,1318 15.247,1319 0.277,1320 0.165,1321 14.816,1322 9.054,1323 13.341,1324 0.178,1325 0.09,1326 12.781,1327 6.753,1328 11.323,1329 0.114,1330 0.049,1331 10.859,1332 4.806,1333 9.524,1334 0.074,1335 0.027,1336 9.059,1337 3.431,1338 0.213,1339 107.606,1340 0.195,1341 32.947,1342 0.332,1343 188,1344 589.898,1345 210.096,1346 532.102,1347 725.84,1348 502,1349 224,1350 530.442,1351 248.462,1352 525.676,1353 780.06,1354 496,1355 8.9} {0 CHEMBL443762,1 1.675,2 16.4,3 3.857,4 14.877,5 155.054,6 7.912,7 0.523,8 4.369,9 4.471,10 4.1,11 3.912,12 5.456,13 3.889,14 4.919,15 5.08,16 4.387,17 4.282,18 6.182,19 4.258,20 5.127,21 5.303,22 4.393,23 4.446,24 6.221,25 4.386,26 5.227,27 5.432,28 4.422,29 4.502,30 6.272,31 4.41,32 5.267,33 5.479,34 4.429,35 4.496,36 6.349,37 4.404,38 5.228,39 5.434,40 4.356,41 4.454,42 6.267,43 4.351,44 5.207,45 5.427,46 4.307,47 4.374,48 6.31,49 4.271,50 5.15,51 5.364,52 4.258,53 4.251,54 6.314,55 4.182,56 0.147,57 1.067,58 16.747,59 6.948,60 20.543,61 8.108,62 0.719,63 1.687,64 30.377,65 10.934,66 78.65,67 13.82,68 0.661,69 2,70 35.467,71 13.479,72 66.826,73 16.831,74 0.507,75 2.179,76 42.228,77 16.152,78 61.295,79 21.026,80 0.763,81 2.201,82 46.384,83 16.677,84 82.73,85 21.346,86 0.754,87 2.133,88 46.595,89 16.121,90 79.306,91 20.243,92 0.783,93 2.044,94 47.345,95 15.934,96 101.785,97 20.432,98 0.893,99 1.844,100 42.278,101 13.426,102 115.231,103 16.793,104 52,105 64,106 0.258,107 0.564,108 0.723,109 0.817,110 0.842,111 0.842,112 3.717,113 1,114 -5.03,115 -4.93,116 -4.62,119 40.8,120 2,124 2,125 4,140 10,141 5,142 3,156 1,159 2,164 1,169 15,171 5,172 7,174 1,176 3,178 19,181 2,182 11,186 3,189 18,193 13,195 1,197 2,199 16,202 2,203 13,206 1,208 1,211 17,214 2,215 7,220 1,222 13,225 1,226 11,229 3,231 2,233 7,236 2,237 13,242 3,244 4,248 3,249 11,254 1,256 7,259 3346,260 26.289,261 26.289,262 26.289,263 26.289,264 26.289,265 23.101,266 27.379,267 15.104,268 26.76,269 21.723,270 21.723,271 21.723,272 21.723,273 21.723,274 16.793,275 36.604,276 7.223,277 22.483,278 4.474,279 2.491,280 1.461,281 0.853,282 0.69,283 0.69,284 4.416,289 1,290 1423,291 4.123,294 140.073,295 600.804,302 2.6,303 44.558,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 87.5,315 656,316 4.658,317 5.053,318 6.618,319 4.133,320 3.197,321 4.45,322 3.324,323 10.667,324 3.061,325 4.441,326 3.574,327 6.482,328 4.066,329 3.069,330 4.146,331 1.058,332 10.075,333 2.982,334 4.315,335 3.275,336 6.328,337 3.906,338 2.956,339 3.933,340 0.8,341 9.717,342 2.842,343 4.221,344 3.108,345 6.151,346 3.838,347 2.854,348 3.844,349 0.8,350 9.1,351 2.762,352 4.077,353 2.858,354 6.04,355 3.728,356 2.739,357 3.589,359 8.649,360 2.699,361 3.685,362 2.773,363 5.345,364 3.396,365 2.453,366 3.084,368 6.886,369 2.313,370 3.589,371 2.45,372 5.197,373 3.247,374 2.273,375 2.88,377 6.395,378 2.212,379 3.424,380 2.432,381 5.143,382 3.134,383 2.177,384 2.583,386 6.263,387 2.071,388 3.29,389 2.386,390 4.942,391 2.909,392 1.929,393 2.5,395 5.569,396 1.896,397 3.077,398 2.186,399 4.909,400 2.807,401 1.871,402 2.164,404 5.48,405 1.735,406 2.843,407 1.829,408 4.178,409 2.391,410 1.383,411 1.945,413 3.632,414 1.389,415 2.739,416 1.786,417 4.076,418 2.267,419 1.282,420 1.812,422 3.393,423 1.258,424 2.536,425 1.405,426 3.982,427 2.106,428 1.131,429 1.524,431 3.073,432 1.101,433 2.5,434 1.217,435 3.881,436 2.041,437 1.047,438 1.5,440 2.896,441 1.037,442 2.468,443 1.155,444 3.414,445 2,446 1,447 1.459,449 2.275,450 1,451 19,452 0.475,453 1.291,454 0.032,455 54.25,456 1.356,457 28,458 0.7,459 26.25,460 0.656,461 36.212,462 0.905,463 43.4,464 0.611,465 47.617,466 1.19,467 10.668,468 0.267,469 8.384,470 0.21,471 0.158,472 0.044,473 0.332,479 0.625,480 1.368,481 0.775,482 1.266,483 0.643,484 0.99,485 0.695,486 1.026,487 0.854,488 0.93,489 0.431,490 0.826,491 1.184,492 0.958,493 0.963,494 0.886,495 0.989,496 1.003,497 0.81,498 1.088,499 0.903,500 1.064,501 0.692,502 1.067,503 0.946,504 0.976,505 0.956,506 0.967,507 0.951,508 0.98,509 1.049,510 1.039,511 1.162,512 1.103,513 1.026,514 1.08,515 0.885,516 1.067,517 1.089,518 1.142,519 1.153,520 1.05,521 1.45,522 0.965,523 0.971,524 0.876,525 1.75,526 0.936,527 10.5,528 0.273,529 5.111,530 2.847,531 2.561,532 1.677,533 1.434,534 0.78,535 0.596,536 0.349,537 29185,538 83622,539 2.056,540 43.7,541 3,542 24,545 1,546 3,550 1.796,551 1.897,552 3.939,553 -0.342,559 118.951,560 1.675,561 3.659,562 4.688,563 5.297,564 5.459,565 5.459,566 3.378,567 4.784,568 5.293,569 4.17,570 3252.92,571 9.32,572 58836.3,577 436.632,578 1.61,579 5.234,580 0.239,581 0.007,582 0.08,583 0.045,584 0.041,585 0.027,586 0.026,587 0.015,588 0.012,589 0.008,590 0.499,591 0.17,592 0.63,593 0.839,594 229.378,595 0.086,596 -0.167,597 0.196,598 -0.131,599 -0.113,600 -0.012,601 0.267,602 0.083,603 0.075,604 0.061,605 0.33,606 0.119,607 -0.183,608 0.088,609 -0.138,610 0.037,611 -0.117,612 -0.058,613 -0.031,614 -0.089,615 -0.003,616 -0.079,617 0.017,618 -0.061,619 -0.021,620 0.008,621 0.006,622 0.022,623 -0.027,624 0.016,625 -0.093,626 -0.036,627 -0.125,628 -0.066,629 -0.11,630 -0.085,631 0.064,632 -0.092,633 -0.025,634 -0.105,635 -0.006,636 -0.043,637 -0.16,638 -0.018,639 -0.004,640 0.044,641 -0.198,642 0.011,643 4.625,644 6.095,645 0.725,646 54.433,647 1.01,648 1.125,649 3.804,650 14.474,651 0.674,652 3.807,653 4.174,654 4.394,655 4.663,656 4.898,657 4.99,658 5.165,659 5.252,660 5.342,661 5.421,662 9.525,663 0.644,664 561.72,665 3.807,666 5.38,667 6.225,668 7.117,669 7.978,670 8.87,671 9.739,672 10.63,673 11.504,674 12.394,675 7,678 1,681 1,682 1,685 2,688 10,689 2,691 1,693 10,695 23,702 1,709 1,714 71,716 26,717 3,718 44,720 75,721 29,722 20,723 8,724 10,725 1,730 5,731 5,736 2,745 21,746 8,750 3,753 1,755 3,759 1,764 31,765 10,766 1,767 11,768 1,773 5,777 1,778 5,792 1,793 4,815 1,819 5,821 1,823 4,827 40,831 1,833 4,834 1,835 1,838 2,847 7,850 3,852 2,854 21.083,855 14.133,856 8.458,857 4.089,858 4.193,859 1.489,860 0.994,861 8.061,862 12.763,863 4.086,864 4.725,865 5.213,866 5.797,867 6.307,868 6.613,869 7.075,870 7.422,871 7.769,872 8.154,873 0.909,874 63,875 15.029,877 6.625,878 7.844,879 28.135,881 23.187,883 2.344,884 93.75,888 353.133,889 185.602,890 57.585,892 87.511,894 7.75,895 177.852,896 440.644,897 57.585,898 33.237,899 26.434,900 102.512,901 117.529,902 50.986,904 353.133,906 353.133,907 235.437,908 87.511,909 7.75,911 353.133,912 87.511,915 57.248,916 144.863,917 41.076,919 353.133,920 145.096,921 185.602,923 7.75,924 353.133,925 49.852,926 134.248,927 18.011,928 120.837,929 353.133,930 145.096,931 185.602,933 0.597,934 0.327,935 0.174,936 0.099,937 31,938 15,939 0.093,940 7,942 1,943 4.953,944 396.036,946 29,947 202.877,950 1,951 28,952 11.516,953 6.794,955 145.096,956 18.288,957 7.971,959 5.53,961 6.798,963 18.011,964 683.831,965 58.5,968 -3.709,970 36.776,974 -0.272,975 71.709,976 79.856,977 0.272,978 0.595,979 0.762,980 0.861,981 0.888,982 0.888,983 5.351,984 2.177,985 6.252,986 6.395,987 4.86,988 5.414,989 3.305,990 7.081,991 4.795,992 6.593,993 1.929,994 7.828,995 6.263,996 4.635,997 5.447,998 0.57,999 8.116,1000 4.513,1001 7.933,1002 1.871,1003 9.502,1004 5.569,1005 6.518,1006 7.673,1007 5.516,1008 11.112,1009 6.384,1010 9.307,1011 1.383,1012 11.231,1013 5.48,1014 7.04,1015 8.473,1016 0.479,1017 12.902,1018 6.851,1019 10.711,1020 1.282,1021 12.995,1022 3.632,1023 8.449,1024 10.232,1025 7.902,1026 15.458,1027 8.244,1028 12.135,1029 1.131,1030 14.781,1031 3.393,1032 9.293,1033 11.366,1034 0.346,1035 17.55,1036 9.037,1037 13.574,1038 1.047,1039 16.584,1040 3.073,1041 10.523,1042 12.946,1043 10.303,1044 19.955,1045 10.244,1046 3.197,1047 1,1048 18.398,1049 2.896,1050 11.515,1051 14.237,1052 0.237,1053 22.176,1054 11.19,1055 3.069,1056 10.667,1057 20.222,1058 2.275,1059 12.675,1060 15.742,1061 12.705,1062 24.528,1063 12.32,1064 2.956,1065 10.075,1066 22.054,1067 4.45,1068 13.736,1069 17.112,1070 0.158,1071 26.806,1072 13.337,1073 2.854,1074 9.717,1075 23.891,1076 4.146,1077 14.869,1078 18.586,1079 15.107,1080 29.141,1081 14.438,1082 2.739,1083 9.1,1084 25.733,1085 3.933,1086 15.964,1087 19.997,1088 0.104,1089 31.447,1090 15.49,1091 2.453,1092 8.649,1093 27.579,1094 3.844,1095 17.09,1096 21.461,1097 17.51,1098 33.777,1099 16.58,1100 2.273,1101 6.886,1102 29.428,1103 3.589,1104 18.202,1105 22.896,1106 0.068,1107 36.098,1108 17.65,1109 27420,1110 46679,1111 28.838,1112 47.847,1113 67.377,1114 70.179,1115 68.427,1116 66.802,1117 66.733,1118 87.62,1119 11.965,1120 197.685,1121 64.589,1122 5.658,1123 7.053,1124 6.032,1125 5.2,1126 5.197,1127 7.45,1128 6.648,1129 17.614,1130 5.061,1131 23.719,1132 1.531,1133 1.595,1134 1.555,1135 1.518,1136 1.517,1137 1.991,1138 0.272,1139 4.493,1140 1.468,1141 4.076,1142 4.095,1143 4.709,1144 4.007,1145 7.722,1146 4.003,1147 4.002,1148 4.011,1149 4.019,1150 3.932,1151 7.429,1152 3.892,1153 3.878,1154 3.895,1155 3.897,1156 3.788,1157 6.999,1158 3.763,1159 3.844,1160 3.84,1161 3.822,1162 3.743,1163 5.264,1164 3.671,1165 3.732,1166 3.764,1167 3.649,1168 3.554,1169 4.818,1170 3.559,1171 3.675,1172 3.708,1173 3.603,1174 3.464,1175 4.766,1176 3.508,1177 3.302,1178 3.352,1179 3.249,1180 3.101,1181 4.536,1182 3.128,1183 3.18,1184 3.264,1185 3.01,1186 3.027,1187 4.355,1188 3.007,1189 0.106,1190 0.115,1191 0.15,1192 0.094,1193 0.073,1194 4.658,1195 0.101,1196 5.053,1197 0.076,1198 6.618,1199 0.242,1200 4.133,1201 0.07,1202 3.197,1203 4.45,1204 3.324,1205 10.667,1206 3.061,1207 2.013,1208 1.995,1209 2.098,1210 2.086,1211 1.305,1212 2.088,1213 1.924,1214 1.906,1215 2.031,1216 2.058,1217 1.244,1218 2.062,1219 1.799,1220 1.777,1221 1.922,1222 1.931,1223 1.065,1224 1.938,1225 1.712,1226 1.696,1227 1.88,1228 1.877,1229 1.004,1230 1.896,1231 1.624,1232 1.623,1233 1.695,1234 1.765,1235 0.894,1236 1.82,1237 1.434,1238 1.387,1239 1.593,1240 1.695,1241 0.825,1242 1.688,1243 1.27,1244 1.224,1245 1.552,1246 1.499,1247 0.733,1248 1.501,1249 1.204,1250 1.14,1251 1.54,1252 1.471,1253 0.641,1254 1.494,1255 4.489,1257 5.844,1258 2.398,1259 7.371,1260 4.595,1261 8.974,1262 6.555,1263 10.619,1265 6.827,1271 3.092,1272 2.93,1273 5.248,1276 4.269,1280 45.716,1281 118.951,1282 259.755,1283 332.883,1284 376.103,1285 387.612,1286 387.612,1287 81.655,1288 8.57,1289 117.87,1290 126.25,1291 29,1292 12.926,1293 4.755,1294 3.954,1295 64.251,1296 232,1297 236,1298 0.133,1299 281.936,1300 490.64,1301 679.684,1302 75097,1304 28.441,1305 0.711,1306 0.591,1307 28.691,1308 23.657,1309 19.053,1310 0.433,1311 0.333,1312 12.809,1313 17.495,1314 12.211,1315 10.16,1316 19.979,1317 14.672,1318 18.668,1319 0.292,1320 0.18,1321 20.051,1322 11.523,1323 14.307,1324 0.179,1325 0.091,1326 14.745,1327 7.242,1328 12.034,1329 0.115,1330 0.049,1331 12.554,1332 5.129,1333 9.794,1334 0.074,1335 0.027,1336 10.276,1337 3.629,1338 0.216,1339 129.328,1340 0.186,1341 36.5,1342 0.345,1343 216,1344 676.451,1345 271.234,1346 667.722,1347 909.2,1348 618,1349 252,1350 656.197,1351 315.367,1352 694.916,1353 1004.79,1354 648,1355 6} {0 CHEMBL444341,1 1.233,2 6.375,3 2.951,4 8.708,5 69.038,6 6.01,7 0.588,8 3.631,9 3.786,10 3.007,11 3.181,12 4.597,13 3.107,14 4.175,15 4.391,16 3.375,17 3.607,18 5.013,19 3.506,20 4.429,21 4.652,22 3.375,23 3.777,24 5.275,25 3.624,26 4.618,27 4.916,28 3.232,29 3.756,30 5.335,31 3.553,32 4.436,33 4.736,34 3.035,35 3.549,36 5.16,37 3.341,38 4.207,39 4.489,40 2.902,41 3.354,42 4.971,43 3.169,44 4.112,45 4.394,46 2.366,47 3.163,48 4.855,49 2.909,50 4.077,51 4.474,52 1.868,53 2.782,54 4.615,55 2.421,56 0.054,57 0.511,58 8.86,59 3.461,60 8.513,61 5.156,62 0.084,63 0.813,64 14.892,65 6.009,66 11.657,67 8.86,68 0.1,69 1.007,70 19.037,71 7.841,72 18.124,73 11.49,74 0.132,75 1.075,76 22.233,77 8.744,78 22.661,79 13.03,80 0.14,81 0.893,82 18.573,83 7.167,84 20.228,85 10.695,86 0.101,87 0.736,88 14.961,89 5.415,90 15.584,91 8.323,92 0.115,93 0.652,94 13.685,95 4.571,96 15.537,97 7.219,98 0.083,99 0.497,100 12.16,101 4.366,102 15.236,103 6.749,104 22,105 25,106 0.229,107 0.586,108 0.732,109 0.756,110 0.756,111 0.756,112 2.854,113 1.028,114 -3.91,115 -3.87,116 -3.67,119 38.9,120 3,121 1,123 1,125 1,140 3,141 3,149 1,150 1,161 1,162 1,163 1,169 10,176 4,178 14,180 1,186 4,189 13,191 1,197 2,199 10,201 1,207 1,208 2,210 1,211 5,213 1,220 5,222 3,224 2,231 2,235 2,242 3,246 3,259 240,260 10.342,261 10.342,262 10.342,263 10.342,264 10.342,265 9.251,266 9.451,267 5.994,268 10.415,269 8.355,270 8.355,271 8.355,272 8.355,273 8.355,274 6.634,275 7.353,276 2.746,277 8.473,278 3.937,279 2.01,280 1.223,281 1.091,282 1.091,283 1.091,284 3.495,288 1,289 1,290 206,291 3.162,294 32.49,295 36.82,298 58.276,302 1.047,303 7.719,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 33,315 102,316 4.606,317 3.552,318 7.123,319 4.34,320 3.341,321 4.517,323 11.737,324 3.337,325 4.301,326 3.106,327 6.517,328 3.999,329 3.011,330 3.585,332 10.219,333 2.973,334 3.4,335 2.209,336 5.134,337 3.033,338 2.043,339 2.727,341 6.022,342 2.021,343 3.035,344 1.654,345 4.64,346 2.625,347 1.645,348 2.213,350 4.853,351 1.611,352 2.691,353 1.383,354 4.132,355 2.288,356 1.302,357 1.767,359 3.392,360 1.282,361 2.288,362 1.118,363 3.328,364 1.989,365 1.031,366 1.243,368 2.043,369 0.985,370 1.941,371 0.696,372 3.041,373 1.554,374 0.595,375 0.79,377 1.238,378 0.569,379 0.927,380 -0.08,381 2.8,382 0.623,383 -0.337,384 -0.394,386 -0.617,387 -0.322,388 0.668,389 -0.617,390 2.218,391 0.245,392 -0.742,393 -0.953,395 -1.764,396 -0.729,397 0.407,398 -0.9,399 2,400 0.048,401 -0.934,402 -1,404 -2.674,405 -0.918,407 -1,408 2,410 -1,411 -1,413 -3,414 -1,416 -1,417 2,419 -1,420 -1.314,422 -3,423 -1,424 -0.086,425 -1.252,426 1.828,427 -0.483,428 -1.449,429 -1.689,431 -3.955,432 -1.394,433 -0.318,434 -1.469,435 1.47,436 -0.678,437 -1.671,438 -2.111,440 -4.995,441 -1.658,442 -0.5,443 -1.732,444 0.857,445 -0.895,446 -1.885,447 -2.531,449 -5.812,450 -1.842,451 7.8,452 0.488,453 0.566,454 0.035,455 17.25,456 1.078,457 8,458 0.5,459 9.25,460 0.578,461 14.364,462 0.898,463 18,464 0.5,465 9.77,466 0.611,467 3.056,468 0.191,469 4.464,470 0.279,471 0.244,472 0.064,473 0.256,479 1.322,480 1.166,481 1.076,482 1.066,483 1.484,484 1.056,485 0.891,486 0.96,487 0.859,488 0.899,489 0.745,490 0.881,491 0.851,492 1.252,493 1.182,494 1.283,495 0.907,496 1.26,497 0.758,498 0.984,499 0.948,500 1.004,501 0.731,502 0.992,503 0.719,504 0.993,505 0.963,506 1.028,507 0.815,508 1.015,509 1.109,510 1.189,511 1.078,512 1.123,513 0.912,514 1.102,515 1.877,516 1.326,517 1.6,518 1.415,519 1.414,520 1.476,521 0.529,522 0.734,523 0.609,524 0.683,525 0.623,526 0.657,527 4.5,529 2.444,530 1.229,531 0.813,532 0.778,533 0.35,534 0.122,537 1670,538 3084,539 1.944,540 55.6,541 9,542 5,543 1,545 3,547 2,550 1.555,551 1.761,552 2.696,553 1.127,555 1,556 1,557 1,559 44.376,560 1.233,561 3.16,562 3.947,563 4.079,564 4.079,565 4.079,566 2.18,567 3.578,568 3.97,569 2.795,570 335.417,571 6.706,572 2843.25,573 1,574 1,576 1,577 186.117,578 1.772,579 3.881,580 0.265,582 0.098,583 0.053,584 0.043,585 0.052,586 0.027,587 0.024,590 0.562,591 1,592 1,593 1.375,594 63.198,595 -0.121,596 0.108,597 0.015,598 0.087,599 -0.286,600 0.065,601 0.016,602 0.167,603 0.168,604 0.199,605 0.096,606 0.195,607 -0.085,608 -0.165,609 -0.183,610 -0.195,611 -0.103,612 -0.196,613 0.011,614 -0.045,615 0.002,616 -0.021,617 -0.015,618 -0.012,619 0.145,620 -0.053,621 -0.008,622 -0.061,623 0.056,624 -0.047,625 -0.029,626 -0.196,627 -0.093,628 -0.154,629 0.066,630 -0.133,631 -0.443,632 -0.302,633 -0.598,634 -0.494,635 -0.378,636 -0.546,637 0.227,638 -0.013,639 0.27,640 0.148,641 0.35,642 0.201,643 1.05,644 1.621,645 0.563,646 8.875,647 0.977,648 1.131,649 2.682,650 7.193,651 0.635,652 2.89,653 3.258,654 3.466,655 3.689,656 3.871,657 3.989,658 3.989,659 3.85,660 3.526,661 3.178,662 3.987,663 0.577,664 216.36,665 2.89,666 4.443,667 5.283,668 6.184,669 7.055,670 7.959,671 8.84,672 9.744,673 10.629,674 11.532,675 5.6,676 1,683 1,687 2,688 4,690 1,693 2,695 10,714 36,716 10,717 1,718 17,720 37,721 14,722 8,723 3,724 3,730 2,731 3,736 4,737 1,743 1,745 8,746 6,761 1,764 20,765 1,766 3,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,812 1,819 1,823 3,827 16,828 1,833 2,839 1,854 9.083,855 7.167,856 3.472,857 2.153,858 2.09,859 1.35,860 0.954,861 2.871,862 8.064,863 3.135,864 3.79,865 4.414,866 5.038,867 5.551,868 5.93,869 6.269,870 6.494,871 6.217,872 5.983,873 1,874 23,875 5.907,877 2.408,878 7.464,879 11.708,881 9.673,883 1.964,884 31.417,885 0.006,888 200.109,889 79.68,890 49.683,895 79.68,896 200.109,897 49.683,898 26.476,899 37.537,900 37.476,902 25.73,903 13.915,904 188.338,906 200.109,907 129.363,911 176.567,912 23.542,915 80.799,916 48.564,919 200.109,920 49.683,921 79.68,924 200.109,925 15.728,926 63.952,927 16.786,928 32.897,929 200.109,930 49.683,931 79.68,933 0.592,934 0.329,935 0.168,936 0.094,937 13,938 6,939 0.081,940 3,941 1,942 1.222,943 2.713,944 108.128,945 0.222,946 9,947 59.245,951 11.371,952 4.04,953 2.209,954 2.523,955 32.897,956 8.724,958 3.296,961 2.696,963 49.683,964 329.472,965 22,975 35.156,976 40.733,977 0.238,978 0.611,979 0.763,980 0.789,981 0.789,982 0.789,983 4.388,984 -0.337,985 5.352,986 1.238,987 3.932,988 4.472,990 6.248,991 3.908,992 5.652,993 -0.742,994 6.982,995 -0.617,996 3.892,997 4.527,999 7.582,1000 3.879,1001 7.01,1002 -0.934,1003 8.73,1004 -1.764,1005 5.687,1006 6.798,1008 10.56,1009 5.655,1010 8.41,1011 -1,1012 10.546,1013 -2.674,1014 6.415,1015 7.65,1017 12.624,1018 6.391,1019 9.841,1020 -1,1021 12.403,1022 -3,1023 7.797,1024 9.459,1026 15.223,1027 7.761,1028 11.294,1029 -1.449,1030 14.285,1031 -3,1032 8.811,1033 10.664,1035 17.527,1036 8.779,1037 12.762,1038 -1.671,1039 16.185,1040 -3.955,1041 10.058,1042 12.289,1044 20.016,1045 10.019,1046 3.341,1047 -1.885,1048 18.097,1049 -4.995,1050 11.178,1051 13.656,1053 22.406,1054 11.14,1055 3.011,1056 11.737,1057 20.017,1058 -5.812,1059 12.382,1060 15.206,1062 24.861,1063 12.341,1064 2.043,1065 10.219,1066 21.944,1067 4.517,1068 13.542,1069 16.647,1071 27.283,1072 13.501,1073 1.645,1074 6.022,1075 23.876,1076 3.585,1077 14.733,1078 18.168,1080 29.73,1081 14.69,1082 1.302,1083 4.853,1084 25.811,1085 2.727,1086 15.91,1087 19.643,1089 32.167,1090 15.866,1091 1.031,1092 3.392,1093 27.75,1094 2.213,1095 17.099,1096 21.153,1098 34.614,1099 17.054,1100 0.595,1101 2.043,1102 29.691,1103 1.767,1104 18.284,1105 22.644,1107 37.059,1108 18.239,1109 1791,1110 2488,1111 10.633,1112 22.864,1113 26.41,1114 25.987,1115 26.653,1116 25.899,1117 25.934,1118 33.683,1120 79.01,1121 25.556,1122 5.323,1123 5.552,1124 6.889,1125 5.34,1126 5.341,1127 7.517,1129 18.778,1130 5.337,1131 9.062,1132 1.554,1133 1.529,1134 1.568,1135 1.523,1136 1.526,1137 1.981,1139 4.648,1140 1.503,1141 4.142,1142 4.175,1143 4.098,1144 4.068,1145 5.029,1146 4.071,1147 3.73,1148 3.787,1149 3.613,1150 3.626,1151 4.933,1152 3.616,1153 3.498,1154 3.587,1155 3.326,1156 3.328,1157 4.404,1158 3.316,1159 3.217,1160 3.296,1161 3.061,1162 3.029,1163 4.053,1164 3.027,1165 2.919,1166 3.009,1167 2.781,1168 2.762,1169 3.771,1170 2.757,1171 2.874,1172 3.009,1173 2.499,1174 2.618,1175 3.467,1176 2.57,1177 2.874,1178 3.002,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.639,1184 2.77,1185 2.369,1186 2.329,1187 3.421,1188 2.322,1189 0.271,1190 0.209,1191 0.419,1192 0.255,1193 0.197,1194 4.606,1195 0.266,1196 3.552,1198 7.123,1199 0.69,1200 4.34,1201 0.196,1202 3.341,1203 4.517,1205 11.737,1206 3.337,1207 1.99,1208 1.967,1209 2.1,1210 2.064,1211 1.322,1212 2.076,1213 1.677,1214 1.624,1215 1.894,1216 1.848,1217 1.139,1218 1.864,1219 1.606,1220 1.543,1221 1.815,1222 1.793,1223 0.942,1224 1.809,1225 1.266,1226 1.175,1227 1.516,1228 1.543,1229 0.554,1230 1.546,1231 0.934,1232 0.848,1233 1.417,1234 1.239,1235 0.469,1236 1.308,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.915,1244 0.804,1245 1.172,1246 1.15,1247 0.236,1248 1.169,1249 0.723,1250 0.647,1251 1.064,1252 0.958,1253 0.114,1254 1.001,1255 3.555,1257 4.905,1258 2.398,1259 6.444,1260 4.727,1261 8.068,1262 6.823,1263 9.738,1265 6.719,1269 5.621,1271 1.639,1277 0.2,1280 20.784,1281 44.376,1282 113.747,1283 142.078,1284 146.833,1285 146.833,1286 146.833,1287 20.861,1288 5.974,1289 41.81,1290 41.81,1291 11,1292 12.055,1293 3.459,1294 2.585,1295 25.837,1296 38,1297 41,1298 0.362,1299 132.155,1300 215.68,1301 314.219,1302 2234,1304 11.759,1305 0.735,1306 0.644,1307 11.759,1308 10.301,1309 7.52,1310 0.442,1311 0.343,1312 5.796,1313 7.407,1314 5.475,1315 4.66,1316 7.52,1317 5.827,1318 7.426,1319 0.297,1320 0.215,1321 7.426,1322 5.363,1323 5.446,1324 0.176,1325 0.098,1326 5.446,1327 3.047,1328 4.362,1329 0.112,1330 0.051,1331 4.362,1332 2.007,1333 3.353,1334 0.071,1335 0.028,1336 3.353,1337 1.322,1338 0.533,1339 45.929,1340 0.307,1341 15.771,1342 1.092,1343 84,1344 155.645,1345 86.415,1346 162.362,1347 230.6,1348 152,1349 98,1350 177.394,1351 100.498,1352 187.784,1353 271.37,1354 175,1355 9.222} {0 CHEMBL444398,1 1.486,2 12.69,3 3.297,4 10.868,5 114.968,6 7.101,7 0.485,8 4.117,9 4.243,10 3.66,11 3.644,12 5.117,13 3.623,14 4.693,15 4.877,16 4.036,17 4.062,18 5.652,19 4.022,20 4.954,21 5.167,22 4.062,23 4.228,24 5.902,25 4.142,26 5.022,27 5.27,28 3.916,29 4.242,30 5.797,31 4.098,32 5.005,33 5.277,34 3.816,35 4.168,36 5.758,37 4.014,38 4.941,39 5.212,40 3.703,41 4.065,42 5.709,43 3.91,44 4.823,45 5.095,46 3.546,47 3.919,48 5.582,49 3.754,50 4.716,51 5.009,52 3.443,53 3.777,54 5.444,55 3.617,56 0.034,57 0.834,58 12.161,59 4.938,60 6.602,61 6.788,62 0.231,63 1.387,64 23.52,65 8.196,66 21.072,67 11.683,68 0.497,69 1.699,70 31.749,71 10.863,72 45.188,73 15.529,74 0.24,75 1.73,76 34.236,77 13.328,78 28.487,79 19.137,80 0.252,81 1.671,82 34.387,83 12.599,84 32.185,85 18.603,86 0.319,87 1.558,88 32.577,89 11.332,90 33.199,91 16.713,92 0.346,93 1.356,94 29.179,95 10.163,96 33.257,97 14.928,98 0.29,99 1.196,100 26.622,101 8.976,102 28.9,103 13.492,104 5,105 47,106 0.244,107 0.578,108 0.754,109 0.858,110 0.858,111 0.858,112 3.408,113 0.933,114 -3.3,115 -3.29,116 -3.15,119 41.8,120 1,121 1,125 6,140 7,141 2,142 3,150 2,156 1,169 7,172 4,174 1,176 5,178 8,181 2,182 5,184 1,186 3,189 6,193 5,195 1,197 3,199 2,203 8,211 2,215 5,218 1,225 1,226 3,229 1,233 2,236 1,237 2,244 4,252 1,254 1,256 7,259 1286,260 19.911,261 19.911,262 19.911,263 19.911,264 19.911,265 17.875,266 26.956,267 11.636,268 20.338,269 16.329,270 16.329,271 16.329,272 16.329,273 16.329,274 13.126,275 36.308,276 5.58,277 17.018,278 4.296,279 2.262,280 1.193,281 0.559,282 0.559,283 0.559,284 4.123,288 1,289 1,290 830,291 2.646,294 65.421,295 329.505,298 122.466,299 136.751,302 2.019,303 19.643,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 368,316 4.586,317 3.653,318 6.713,319 4.137,320 3.167,321 4.526,322 2.03,323 10.935,324 3.075,325 4.302,326 3.298,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.841,335 3.041,336 5.834,337 3.599,338 2.665,339 3.172,340 0.8,341 8.099,342 2.487,343 3.687,344 2.905,345 5.381,346 3.394,347 2.428,348 2.962,349 0.8,350 7.044,351 2.355,352 3.49,353 2.681,354 5.204,355 3.238,356 2.276,357 2.654,358 0.141,359 6.555,360 2.173,361 3.389,362 2.494,363 4.952,364 3.039,365 2.044,366 2.623,368 5.777,369 2.016,370 3.27,371 2.129,372 4.825,373 2.89,374 1.92,375 2.45,377 5.32,378 1.857,379 2.885,380 1.977,381 4.598,382 2.51,383 1.571,384 2.031,386 4.529,387 1.469,388 2.876,389 1.614,390 4.387,391 2.478,392 1.517,393 2.01,395 4.276,396 1.455,397 2.751,398 1.406,399 3.984,400 2.355,401 1.364,402 1.803,404 3.279,405 1.35,406 2.079,407 1.347,408 3.414,409 1.967,410 1,411 1.014,413 2.275,414 0.965,415 2,416 1.146,417 3.348,418 1.827,419 0.878,420 1,422 2.034,423 0.826,424 1.957,425 0.896,426 3.28,427 1.601,428 0.656,429 0.787,431 1.613,432 0.616,433 1.714,434 0.657,435 3.174,436 1.427,437 0.464,438 0.595,440 1.233,441 0.446,442 1.225,443 0.528,444 2.627,445 0.821,446 -0.152,447 -0.179,449 -0.367,450 -0.146,451 13.767,452 0.475,453 0.691,454 0.024,455 36.75,456 1.267,457 17,458 0.586,459 19.75,460 0.681,461 24.915,462 0.859,463 31.233,464 0.568,465 25.406,466 0.876,467 7.233,468 0.249,469 6.92,470 0.239,471 0.061,473 0.349,479 0.854,480 1.403,481 0.816,482 1.114,483 0.596,484 0.976,485 1.081,486 1.168,487 0.919,488 0.959,489 0.595,490 0.912,491 1.077,492 0.975,493 1.128,494 0.988,495 0.959,496 1.041,497 0.623,498 1.106,499 0.991,500 1.151,501 0.485,502 1.13,503 0.612,504 1.017,505 0.943,506 1.037,507 0.604,508 1.03,509 0.836,510 1.003,511 1.063,512 1.053,513 0.731,514 1.077,515 0.84,516 1.021,517 1.061,518 1.06,519 0.959,520 1.089,521 0.73,522 0.93,523 0.896,524 0.922,525 0.764,526 0.926,527 6,528 0.107,529 3.111,530 1.632,531 1.577,532 0.865,533 0.492,534 0.294,535 0.232,536 0.147,537 13124,538 30620,539 2.193,540 47.3,542 19,545 2,546 3,547 2,550 1.712,551 2.096,552 3.615,553 0.194,554 1,555 1,559 81.721,560 1.486,561 3.52,562 4.588,563 5.222,564 5.222,565 5.222,566 3.057,567 4.349,568 4.834,569 3.814,570 1548.32,571 8.372,572 21891.9,574 1,576 1,577 317.975,578 1.247,579 4.809,580 0.182,581 0.005,582 0.066,583 0.035,584 0.04,585 0.025,586 0.016,587 0.012,588 0.01,589 0.006,590 0.398,591 0.33,592 0.88,593 0.434,594 150.159,595 -0.028,596 -0.193,597 0.075,598 -0.054,599 -0.018,600 0.012,601 -0.044,602 -0.029,603 0.034,604 0.03,605 0.062,606 0.043,607 -0.008,608 0.106,609 -0.157,610 -0.016,611 0.003,612 -0.087,613 0.025,614 -0.142,615 -0.051,616 -0.129,617 0.04,618 -0.109,619 0.009,620 -0.064,621 0.012,622 -0.043,623 0.018,624 -0.017,625 -0.045,626 -0.039,627 -0.089,628 -0.084,629 -0.042,630 -0.09,631 0.018,632 -0.082,633 -0.077,634 -0.089,635 -0.082,636 -0.1,637 0.068,638 -0.013,639 0.098,640 0.037,641 0.014,642 0.067,643 1.751,644 4.522,645 0.862,646 28.771,647 0.996,648 1.127,649 2.074,650 4.301,651 0.66,652 3.526,653 3.871,654 4.159,655 4.454,656 4.71,657 4.745,658 4.844,659 4.984,660 5.037,661 5.056,662 7.607,663 0.624,664 390.53,665 3.526,666 5.081,667 5.943,668 6.83,669 7.706,670 8.594,671 9.475,672 10.364,673 11.248,674 12.137,675 7.3,678 1,681 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,709 1,712 1,714 55,716 17,717 2,718 33,720 59,721 23,722 14,723 6,724 6,730 5,731 7,736 1,743 1,745 15,746 8,750 1,755 1,759 1,761 1,764 26,765 5,766 2,767 6,773 4,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,805 1,815 1,819 3,823 1,827 29,833 7,834 1,835 1,838 2,847 3.6,850 1,852 1,854 13.833,855 10.067,856 6.194,857 3.404,858 3.194,859 1.389,860 1.034,861 5.039,862 11.401,863 3.761,864 4.366,865 4.941,866 5.546,867 6.054,868 6.285,869 6.58,870 6.905,871 6.847,872 6.92,873 1,874 46,875 10.751,877 4.628,878 7.546,879 21.161,881 18.032,883 2.046,884 59.333,887 1,888 282.506,889 118.935,890 41.045,892 36.145,895 118.935,896 318.651,897 41.045,898 8.825,899 35.666,900 66.334,901 29.85,902 50.55,903 4.901,904 282.506,906 282.506,907 159.98,908 36.145,911 258.964,912 59.687,915 64.401,916 95.579,919 282.506,920 77.19,921 118.935,924 282.506,925 43.776,926 81.408,927 34.796,928 36.145,929 282.506,930 77.19,931 118.935,933 0.587,934 0.342,935 0.191,936 0.11,937 25,938 10,939 0.068,940 4,941 2,942 1.16,943 4.242,944 258.803,945 0.16,946 25,947 136.881,951 18.676,952 7.825,953 3.905,954 2.53,955 60.404,956 14.859,958 3.437,961 5.314,963 34.796,964 478.632,965 42,970 11.522,974 -0.085,975 54.781,976 61.979,977 0.257,978 0.609,979 0.794,980 0.903,981 0.903,982 0.903,983 5.017,984 1.571,985 5.927,986 5.32,987 4.554,988 5.053,989 2.452,990 6.735,991 4.475,992 6.213,993 1.517,994 7.478,995 4.529,996 4.111,997 4.89,998 1.738,999 7.591,1000 4.001,1001 7.519,1002 1.364,1003 9.124,1004 4.276,1005 6.146,1006 7.249,1007 3.301,1008 10.694,1009 5.99,1010 8.858,1011 1,1012 10.827,1013 3.279,1014 6.509,1015 7.937,1016 3.226,1017 12.4,1018 6.319,1019 10.23,1020 0.878,1021 12.567,1022 2.275,1023 8.008,1024 9.786,1025 4.5,1026 15.016,1027 7.778,1028 11.625,1029 0.656,1030 14.334,1031 2.034,1032 8.76,1033 10.89,1034 4.754,1035 17.095,1036 8.497,1037 13.04,1038 0.464,1039 16.123,1040 1.613,1041 10.034,1042 12.532,1043 5.815,1044 19.546,1045 9.737,1046 3.167,1047 -0.152,1048 17.927,1049 1.233,1050 10.979,1051 13.842,1052 6.249,1053 21.79,1054 10.651,1055 2.961,1056 10.935,1057 19.746,1058 -0.367,1059 12.159,1060 15.396,1061 7.175,1062 24.186,1063 11.8,1064 2.665,1065 9.342,1066 21.576,1067 4.526,1068 13.2,1069 16.804,1070 7.714,1071 26.502,1072 12.81,1073 2.428,1074 8.099,1075 23.415,1076 3.93,1077 14.343,1078 18.322,1079 8.557,1080 28.883,1081 13.924,1082 2.276,1083 7.044,1084 25.262,1085 3.172,1086 15.43,1087 19.778,1088 9.16,1089 31.234,1090 14.981,1091 2.044,1092 6.555,1093 27.116,1094 2.962,1095 16.562,1096 21.283,1097 9.952,1098 33.612,1099 16.085,1100 1.92,1101 5.777,1102 28.976,1103 2.654,1104 17.671,1105 22.762,1106 10.594,1107 35.979,1108 17.166,1109 11912,1110 18352,1111 22.77,1112 36.307,1113 50.019,1114 51.033,1115 50.854,1116 49.79,1117 49.822,1118 63.113,1119 9.327,1120 144.625,1121 47.87,1122 5.586,1123 5.653,1124 6.232,1125 5.245,1126 5.167,1127 7.526,1128 3.634,1129 18.138,1130 5.075,1131 10.44,1132 1.516,1133 1.546,1134 1.541,1135 1.509,1136 1.51,1137 1.913,1138 0.283,1139 4.383,1140 1.451,1141 4.14,1142 4.178,1143 4.098,1144 4.048,1145 7.429,1146 4.056,1147 3.982,1148 4.01,1149 3.931,1150 3.888,1151 4.967,1152 3.893,1153 3.796,1154 3.866,1155 3.688,1156 3.599,1157 4.845,1158 3.61,1159 3.552,1160 3.596,1161 3.464,1162 3.367,1163 4.403,1164 3.377,1165 3.462,1166 3.516,1167 3.353,1168 3.32,1169 4.306,1170 3.326,1171 3.278,1172 3.344,1173 3.14,1174 3.108,1175 4.225,1176 3.107,1177 3.111,1178 3.206,1179 2.879,1180 2.941,1181 3.886,1182 2.91,1183 2.982,1184 3.056,1185 2.866,1186 2.82,1187 3.849,1188 2.823,1189 0.139,1190 0.111,1191 0.203,1192 0.125,1193 0.096,1194 4.586,1195 0.137,1196 3.653,1197 0.062,1198 6.713,1199 0.331,1200 4.137,1201 0.093,1202 3.167,1203 4.526,1204 2.03,1205 10.935,1206 3.075,1207 1.96,1208 1.93,1209 2.072,1210 2.089,1211 1.352,1212 2.087,1213 1.932,1214 1.909,1215 2.027,1216 2.044,1217 1.216,1218 2.037,1219 1.72,1220 1.655,1221 1.905,1222 1.919,1223 1.103,1224 1.918,1225 1.603,1226 1.545,1227 1.805,1228 1.789,1229 0.898,1230 1.797,1231 1.467,1232 1.425,1233 1.678,1234 1.694,1235 0.885,1236 1.691,1237 1.262,1238 1.2,1239 1.514,1240 1.474,1241 0.825,1242 1.492,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.692,1248 1.429,1249 1.02,1250 0.966,1251 1.267,1252 1.215,1253 0.386,1254 1.234,1255 4.205,1257 5.541,1258 2.398,1259 7.071,1260 4.727,1261 8.689,1262 6.823,1263 10.353,1265 2.111,1271 6.293,1272 2.892,1273 5.441,1276 5.019,1280 34.31,1281 81.721,1282 193.575,1283 252.349,1284 287.22,1285 287.22,1286 287.22,1287 37.151,1288 8.207,1289 60.6,1290 60.6,1291 29,1292 12.668,1293 4.17,1294 3.322,1295 40.005,1296 136,1297 110,1298 0.143,1299 206.178,1300 352.42,1301 494.834,1302 49466,1304 19.794,1305 0.683,1306 0.576,1307 19.794,1308 16.702,1309 14.153,1310 0.429,1311 0.311,1312 10.127,1313 13.623,1314 9.889,1315 8.124,1316 14.153,1317 10.268,1318 13.071,1319 0.278,1320 0.169,1321 13.071,1322 7.937,1323 11.111,1324 0.176,1325 0.093,1326 11.111,1327 5.882,1328 9.581,1329 0.113,1330 0.051,1331 9.581,1332 4.34,1333 8.156,1334 0.074,1335 0.029,1336 8.156,1337 3.161,1338 0.232,1339 88.407,1340 0.21,1341 28.056,1342 0.371,1343 160,1344 409.427,1345 174.361,1346 395.439,1347 552.65,1348 374,1349 190,1350 415.528,1351 205.416,1352 420.522,1353 618.87,1354 397,1355 9.699} {0 CHEMBL444404,1 1.43,2 18.537,3 4.376,4 19.153,5 164.734,6 6.684,7 0.435,8 4.5,9 4.641,10 3.981,11 4.027,12 5.465,13 3.986,14 5.095,15 5.294,16 4.35,17 4.479,18 5.996,19 4.405,20 5.402,21 5.635,22 4.379,23 4.665,24 6.255,25 4.544,26 5.508,27 5.775,28 4.329,29 4.672,30 6.33,31 4.522,32 5.447,33 5.718,34 4.281,35 4.568,36 6.31,37 4.43,38 5.322,39 5.577,40 4.256,41 4.489,42 6.288,43 4.364,44 5.268,45 5.522,46 4.183,47 4.429,48 6.186,49 4.302,50 5.245,51 5.506,52 4.064,53 4.346,54 6.178,55 4.213,56 0.085,57 1.259,58 19.487,59 7.586,60 11.253,61 11.016,62 0.355,63 2.09,64 36.624,65 13.196,66 29.631,67 19.635,68 0.419,69 2.594,70 50.58,71 18.473,72 50.338,73 27.1,74 0.434,75 2.709,76 56.798,77 20.666,78 61.361,79 30.605,80 0.536,81 2.505,82 54.124,83 18.684,84 71.768,85 27.715,86 0.677,87 2.306,88 47.636,89 16.176,90 85.598,91 24.194,92 0.452,93 2.164,94 44.909,95 15.389,96 57.795,97 23.058,98 0.5,99 2.044,100 44.478,101 14.513,102 62.757,103 21.591,104 17,105 65,106 0.215,107 0.524,108 0.683,109 0.714,110 0.714,111 0.714,112 3.741,113 0.986,114 -3.76,115 -3.72,116 -3.54,119 39.8,121 7,122 2,124 2,125 4,140 6,141 4,142 2,149 2,150 2,156 2,169 14,172 6,174 2,176 12,178 15,182 4,186 12,189 12,193 8,197 8,199 12,203 6,207 2,208 2,211 14,214 1,215 4,218 4,219 1,220 4,222 14,226 4,229 2,231 2,233 8,237 10,240 2,242 6,244 8,249 4,254 6,256 6,259 3564,260 27.911,261 27.911,262 27.911,263 27.911,264 27.911,265 25.391,266 38.838,267 16.355,268 28.309,269 22.733,270 22.733,271 22.733,272 22.733,273 22.733,274 18.706,275 50.561,276 7.842,277 23.325,278 4.945,279 2.895,280 1.834,281 1.633,282 1.633,283 1.633,284 4.455,289 1,290 1700,291 4.123,294 225.673,295 534.928,298 396.35,302 2.644,303 31.866,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 87,315 760,316 4.586,317 3.608,318 6.719,319 4.161,320 3.173,321 4.52,322 1.907,323 10.946,324 3.137,325 4.586,326 3.575,327 6.719,328 4.161,329 3.172,330 4.52,331 1.907,332 10.946,333 3.137,334 3.89,335 3.295,336 5.783,337 3.631,338 2.651,339 3.241,340 0.8,341 7.95,342 2.597,343 3.872,344 3.294,345 5.783,346 3.614,347 2.637,348 3.233,349 0.8,350 7.947,351 2.577,352 3.684,353 2.783,354 5.425,355 3.466,356 2.489,357 2.902,358 0.149,359 7.131,360 2.436,361 3.66,362 2.782,363 5.409,364 3.416,365 2.448,366 2.886,367 0.149,368 7.092,369 2.373,370 3.428,371 2.535,372 5.035,373 3.158,374 2.198,375 2.652,377 6.014,378 2.105,379 3.376,380 2.533,381 5.035,382 3.122,383 2.168,384 2.576,386 6.011,387 2.061,388 3.289,389 2.237,390 4.833,391 2.991,392 2.015,393 2.39,395 5.521,396 1.949,397 3.282,398 2.235,399 4.743,400 2.918,401 1.916,402 2.39,404 5.27,405 1.899,406 2.849,407 1.522,408 4.544,409 2.486,410 1.502,411 1.953,413 4.354,414 1.476,415 2.848,416 1.522,417 4.542,418 2.486,419 1.502,420 1.952,422 4.351,423 1.476,424 2.554,425 1.512,426 3.965,427 2.137,428 1.17,429 1.57,431 3.051,432 1.128,433 2.55,434 1.18,435 3.962,436 2.107,437 1.143,438 1.565,440 3.029,441 1.099,442 2.207,443 1.18,444 3.414,445 2.026,446 1.018,447 1.141,449 2.275,450 1.02,451 19.567,452 0.477,453 1.006,454 0.025,455 47,456 1.146,457 20,458 0.488,459 27,460 0.659,461 43.792,462 1.068,463 45.233,464 0.545,465 37.726,466 0.92,467 8.643,468 0.211,469 11.28,470 0.275,471 0.085,473 0.348,479 0.828,480 1.399,481 0.897,482 1.13,483 0.552,484 1.03,485 0.836,486 1.118,487 0.959,488 1.003,489 0.499,490 0.985,491 1.048,492 1.084,493 1.092,494 1.088,495 0.985,496 1.094,497 0.851,498 1.041,499 0.974,500 1.058,501 0.85,502 1.035,503 1.064,504 0.976,505 0.943,506 0.965,507 1.209,508 0.949,509 0.867,510 0.99,511 1.002,512 1.02,513 0.829,514 1.021,515 0.964,516 1.126,517 1.005,518 1.099,519 1.004,520 1.061,521 1.363,522 0.999,523 1.11,524 1.043,525 1.457,526 1.047,527 8.5,528 0.257,529 4.667,530 2.639,531 2.001,532 1.258,533 0.909,534 0.804,535 0.416,536 0.263,537 35764,538 71410,539 2.147,540 50.6,541 4,542 20,543 2,545 4,546 4,547 8,550 1.799,551 2.033,552 4.136,553 1.362,559 118.676,560 1.43,561 3.48,562 4.541,563 4.742,564 4.742,565 4.742,566 3.565,567 4.187,568 5.333,569 4.319,570 3541.41,571 9.375,572 68211.8,577 529.128,578 1.325,579 5.3,580 0.185,581 0.007,582 0.072,583 0.041,584 0.034,585 0.022,586 0.017,587 0.016,588 0.01,589 0.007,590 0.41,591 0.17,592 0.75,593 0.458,594 240.071,595 -0.033,596 -0.125,597 0.062,598 -0.005,600 0.032,601 0.031,602 0.05,603 0.016,604 0.047,605 0.086,606 0.035,607 -0.124,608 -0.03,609 -0.117,610 -0.055,611 -0.07,612 -0.08,613 -0.021,614 -0.069,615 -0.005,616 -0.047,617 0.002,618 -0.027,619 -0.007,620 -0.018,621 0.051,622 0.018,623 -0.038,624 0.036,625 0.188,626 0.033,627 -0.005,628 -0.038,629 0.183,630 -0.041,631 0.063,632 -0.117,633 -0.015,634 -0.106,635 0.038,636 -0.073,637 -0.086,638 -0.009,639 -0.093,640 -0.082,641 -0.052,642 -0.086,643 1.731,644 5.712,645 0.732,646 54.894,647 0.99,648 1.131,649 2.529,650 6.396,651 0.646,652 3.85,653 4.19,654 4.466,655 4.754,656 4.99,657 5.106,658 5.252,659 5.394,660 5.407,661 5.442,662 10.511,663 0.603,664 554.81,665 3.85,666 5.407,667 6.263,668 7.148,669 8.021,670 8.911,671 9.794,672 10.688,673 11.576,674 12.472,675 7.2,678 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,714 83,716 22,717 2,718 46,720 88,721 33,722 16,723 6,724 6,730 6,731 8,740 4,741 2,743 7,745 18,746 15,747 2,750 2,755 2,759 2,764 42,765 6,766 4,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,805 2,815 2,819 4,823 2,827 41,833 11,834 2,837 2,838 2,847 2.4,850 2,854 20.167,855 15.067,856 8.833,857 5.314,858 3.98,859 1.437,860 1.011,861 8.588,862 13.084,863 4.078,864 4.668,865 5.248,866 5.875,867 6.382,868 6.764,869 7.183,870 7.57,871 7.569,872 7.767,873 1,874 64,875 15.298,877 6.607,878 7.545,879 30.231,881 26.041,883 2.045,884 83.833,888 447.302,889 148.638,890 75.841,892 50.29,895 148.638,896 497.592,897 75.841,898 16.793,899 62.186,900 74.952,901 59.699,902 56.85,903 27.83,904 423.76,906 447.302,907 224.479,908 50.29,911 353.133,912 144.459,915 102.006,916 122.473,919 447.302,920 126.131,921 148.638,924 447.302,925 56.893,926 97.994,927 69.593,928 50.29,929 447.302,930 126.131,931 148.638,933 0.586,934 0.335,935 0.181,936 0.102,937 32,938 14,939 0.091,940 8,941 2,942 1.133,943 5.277,944 405.062,945 0.133,946 30,947 171.66,951 28.172,952 12.499,953 6.595,954 4.583,955 92.56,956 16.398,958 6.798,961 4.302,963 69.593,964 722.071,965 58,970 25.423,974 -0.13,975 82.17,976 93.882,977 0.224,978 0.546,979 0.712,980 0.744,981 0.744,982 0.744,983 5.338,984 2.168,985 6.248,986 6.014,987 4.875,988 5.357,989 2.709,990 7.054,991 4.829,992 6.529,993 2.015,994 7.8,995 6.011,996 4.443,997 5.215,998 2.262,999 7.928,1000 4.386,1001 7.833,1002 1.916,1003 9.448,1004 5.521,1005 6.466,1006 7.558,1007 3.595,1008 11.033,1009 6.383,1010 9.171,1011 1.502,1012 11.154,1013 5.27,1014 6.847,1015 8.303,1016 3.716,1017 12.778,1018 6.76,1019 10.545,1020 1.502,1021 12.9,1022 4.354,1023 8.333,1024 10.138,1025 4.727,1026 15.407,1027 8.224,1028 11.945,1029 1.17,1030 14.674,1031 4.351,1032 9.101,1033 11.302,1034 5.099,1035 17.528,1036 8.991,1037 13.366,1038 1.143,1039 16.472,1040 3.051,1041 10.37,1042 12.94,1043 5.942,1044 19.999,1045 10.243,1046 3.173,1047 1.018,1048 18.288,1049 3.029,1050 11.331,1051 14.299,1052 6.442,1053 22.279,1054 11.203,1055 3.172,1056 10.946,1057 20.118,1058 2.275,1059 12.515,1060 15.859,1061 7.194,1062 24.697,1063 12.373,1064 2.651,1065 10.946,1066 21.961,1067 4.52,1068 13.571,1069 17.304,1070 7.761,1071 27.043,1072 13.425,1073 2.637,1074 7.95,1075 23.815,1076 4.52,1077 14.723,1078 18.832,1079 8.464,1080 29.444,1081 14.566,1082 2.489,1083 7.947,1084 25.677,1085 3.241,1086 15.826,1087 20.313,1088 9.067,1089 31.817,1090 15.663,1091 2.448,1092 7.131,1093 27.546,1094 3.233,1095 16.971,1096 21.829,1097 9.744,1098 34.211,1099 16.797,1100 2.198,1101 7.092,1102 29.422,1103 2.902,1104 18.096,1105 23.326,1106 10.367,1107 36.596,1108 17.915,1109 32536,1110 46188,1111 31.323,1112 53.648,1113 69.567,1114 70.82,1115 71.024,1116 68.918,1117 68.961,1118 86.482,1119 11.424,1120 199.096,1121 67.342,1122 5.586,1123 5.608,1124 6.27,1125 5.205,1126 5.173,1127 7.52,1128 3.306,1129 18.077,1130 5.137,1131 18.385,1132 1.512,1133 1.54,1134 1.544,1135 1.498,1136 1.499,1137 1.88,1138 0.248,1139 4.328,1140 1.464,1141 4.17,1142 4.206,1143 4.124,1144 4.084,1145 7.431,1146 4.09,1147 4.124,1148 4.158,1149 4.083,1150 4.043,1151 7.426,1152 4.049,1153 3.819,1154 3.884,1155 3.704,1156 3.673,1157 4.98,1158 3.671,1159 3.806,1160 3.872,1161 3.686,1162 3.662,1163 4.949,1164 3.659,1165 3.753,1166 3.802,1167 3.647,1168 3.587,1169 4.385,1170 3.591,1171 3.55,1172 3.603,1173 3.484,1174 3.338,1175 4.377,1176 3.363,1177 3.417,1178 3.481,1179 3.31,1180 3.27,1181 4.316,1182 3.274,1183 3.297,1184 3.357,1185 3.192,1186 3.106,1187 4.293,1188 3.122,1189 0.1,1190 0.078,1191 0.146,1192 0.09,1193 0.069,1194 4.586,1195 0.098,1196 3.608,1197 0.041,1198 6.719,1199 0.238,1200 4.161,1201 0.068,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.137,1207 1.967,1208 1.942,1209 2.085,1210 2.067,1211 1.443,1212 2.074,1213 1.964,1214 1.939,1215 2.084,1216 2.061,1217 1.443,1218 2.07,1219 1.827,1220 1.772,1221 1.995,1222 2.001,1223 1.24,1224 2.004,1225 1.823,1226 1.769,1227 1.982,1228 1.992,1229 1.14,1230 1.993,1231 1.693,1232 1.645,1233 1.906,1234 1.872,1235 1.13,1236 1.882,1237 1.463,1238 1.396,1239 1.665,1240 1.699,1241 0.825,1242 1.688,1243 1.462,1244 1.395,1245 1.664,1246 1.684,1247 0.825,1248 1.682,1249 1.34,1250 1.3,1251 1.531,1252 1.6,1253 0.809,1254 1.578,1255 4.533,1257 5.866,1258 3.045,1259 7.381,1260 5.416,1261 8.979,1262 7.535,1263 10.625,1265 4.356,1271 10.169,1272 6.085,1275 1.089,1276 4.76,1280 50.04,1281 118.676,1282 288.802,1283 376.889,1284 393.618,1285 393.618,1286 393.618,1287 75.096,1288 9.104,1289 96.26,1290 96.26,1291 34,1292 12.999,1293 4.524,1294 3.7,1295 60.012,1296 268,1297 237,1298 0.106,1299 302.442,1300 518.88,1301 729.718,1302 170062,1304 28.346,1305 0.691,1306 0.592,1307 28.346,1308 24.263,1309 19.924,1310 0.433,1311 0.329,1312 14.946,1313 19.292,1314 14.573,1315 12.038,1316 19.924,1317 15.116,1318 18.341,1319 0.282,1320 0.186,1321 18.341,1322 12.114,1323 15.352,1324 0.179,1325 0.106,1326 15.352,1327 9.119,1328 12.94,1329 0.113,1330 0.057,1331 12.94,1332 6.611,1333 10.572,1334 0.072,1335 0.033,1336 10.572,1337 4.855,1338 0.176,1339 123.816,1340 0.179,1341 37.721,1342 0.267,1343 222,1344 522.093,1345 237.475,1346 513.036,1347 710.14,1348 482,1349 262,1350 527.245,1351 277.312,1352 539.299,1353 786.46,1354 508,1355 9.022} {0 CHEMBL444843,1 1.64,2 13.903,3 3.777,4 14.268,5 122.886,6 7.712,7 0.457,8 4.149,9 4.26,10 3.793,11 3.74,12 5.19,13 3.699,14 4.735,15 4.898,16 4.172,17 4.185,18 5.77,19 4.115,20 5.041,21 5.25,22 4.225,23 4.35,24 5.996,25 4.244,26 5.119,27 5.349,28 4.186,29 4.352,30 6.024,31 4.208,32 5.097,33 5.357,34 4.007,35 4.264,36 5.922,37 4.092,38 4.995,39 5.252,40 3.873,41 4.127,42 5.785,43 3.973,44 4.906,45 5.159,46 3.81,47 4.025,48 5.843,49 3.895,50 4.831,51 5.086,52 3.641,53 3.962,54 5.714,55 3.801,56 0.041,57 0.901,58 12.256,59 5.598,60 8.702,61 7.05,62 0.218,63 1.51,64 24.039,65 10.215,66 32.272,67 12.792,68 0.355,69 1.944,70 36.206,71 14.154,72 50.607,73 17.881,74 0.444,75 2.065,76 42.448,77 15.546,78 53.386,79 19.859,80 0.422,81 1.925,82 44.096,83 15.824,84 53.661,85 20.757,86 0.363,87 1.669,88 39.308,89 13.544,90 49.779,91 18.017,92 0.552,93 1.562,94 32.726,95 11.445,96 66.577,97 15.309,98 0.39,99 1.54,100 32.254,101 11.602,102 56.333,103 14.747,104 11,105 50,106 0.268,107 0.609,108 0.782,109 0.85,110 0.866,111 0.866,112 3.471,113 1,114 -4.12,115 -4.07,116 -3.85,119 42.1,121 4,122 1,125 4,127 1,140 6,141 4,142 1,144 1,150 1,156 1,161 1,162 1,163 1,169 11,172 9,173 1,174 1,176 1,178 14,180 1,182 9,186 2,189 11,191 2,192 1,193 6,197 2,199 10,201 2,202 1,203 6,208 2,211 6,213 2,215 6,222 2,225 1,226 6,228 1,229 1,231 1,233 6,235 1,244 9,248 2,249 2,251 1,252 1,256 8,259 1562,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 19.17,266 25.257,267 12.284,268 21.605,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 14.16,275 28.554,276 5.816,277 17.966,278 4.193,279 2.098,280 1.04,281 0.623,282 0.526,283 0.526,284 4.183,288 1,289 1,290 960,291 3.162,294 70.422,295 346.178,298 131.719,299 142.42,302 2.054,303 32.12,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 431,316 4.58,317 3.522,318 6.712,319 4.135,320 3.165,321 4.515,322 1.151,323 10.913,324 3.066,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.932,335 3.305,336 5.903,337 3.648,338 2.662,339 3.265,340 0.8,341 8.14,342 2.634,343 3.825,344 2.926,345 5.786,346 3.58,347 2.613,348 3.204,350 7.935,351 2.506,352 3.538,353 2.774,354 5.339,355 3.297,356 2.362,357 2.679,359 6.896,360 2.201,361 3.303,362 2.474,363 5.137,364 3.009,365 2.056,366 2.46,368 6.012,369 1.954,370 3.154,371 2.332,372 4.96,373 2.907,374 1.959,375 2.262,377 5.723,378 1.835,379 2.962,380 1.979,381 4.514,382 2.531,383 1.57,384 2.125,386 4.337,387 1.501,388 2.881,389 1.792,390 4.189,391 2.477,392 1.529,393 1.968,395 3.822,396 1.43,397 2.615,398 1.539,399 4.026,400 2.196,401 1.222,402 1.607,404 3.236,405 1.185,406 2.543,407 1.315,408 3.783,409 2.164,410 1.182,411 1.538,413 2.831,414 1.145,415 2.215,416 1.148,417 3.446,418 1.984,419 1.011,420 1.178,422 2.388,423 0.983,424 2.031,425 1.077,426 3.414,427 1.981,428 1,429 1,431 2.275,432 0.974,433 2,434 0.78,435 3.229,436 1.609,437 0.637,438 0.85,440 1.517,441 0.614,442 1.646,443 0.64,444 3.135,445 1.469,446 0.509,447 0.581,449 1.243,450 0.484,451 14.986,452 0.483,453 0.763,454 0.025,455 35.25,456 1.137,457 15.5,458 0.5,459 19.75,460 0.637,461 31.461,462 1.015,463 33.614,464 0.59,465 24.532,466 0.791,467 6.503,468 0.21,469 8.578,470 0.277,471 0.068,473 0.36,477 1,479 0.656,480 1.08,481 0.725,482 0.989,483 0.579,484 0.924,485 0.829,486 0.954,487 0.808,488 0.899,489 0.483,490 0.935,491 0.975,492 0.957,493 0.924,494 0.94,495 0.765,496 0.997,497 0.795,498 1.002,499 1.023,500 1.091,501 0.691,502 1.123,503 0.585,504 0.88,505 1.032,506 1.091,507 0.487,508 1.056,509 0.75,510 0.926,511 1.002,512 1.068,513 0.588,514 1.041,515 0.97,516 0.853,517 0.842,518 0.815,519 0.887,520 0.964,521 1.151,522 1.049,523 1.087,524 1.022,525 1.154,526 1.106,527 6,528 0.16,529 4,530 1.882,531 1.747,532 0.99,533 0.573,534 0.393,535 0.199,536 0.234,537 15284,538 42082,539 2.16,540 45.6,542 15,545 2,546 1,547 6,548 2,550 1.73,551 2.044,552 3.716,553 0.193,555 1,559 93.469,560 1.64,561 3.735,562 4.793,563 5.21,564 5.307,565 5.307,566 3.183,567 4.696,568 4.927,569 3.907,570 1816.95,571 8.566,572 26872.9,574 1,577 332.475,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.04,585 0.026,586 0.017,587 0.012,588 0.008,589 0.01,590 0.407,591 0.33,592 0.88,593 0.646,594 164.046,595 -0.015,596 -0.041,597 0.078,598 0.01,599 -0.027,600 0.047,601 -0.03,602 0.022,603 0.03,604 0.061,605 0.098,606 0.03,607 -0.099,608 -0.007,609 -0.034,610 0.016,611 -0.006,612 -0.017,613 -0.02,614 -0.103,615 -0.061,616 -0.111,617 -0.019,618 -0.132,619 0.073,620 -0.049,621 -0.012,622 -0.082,623 0.057,624 -0.035,625 -0.015,626 -0.138,627 -0.027,628 -0.101,629 -0.023,630 -0.037,631 0.011,632 0.014,633 -0.008,634 0.04,635 -0.015,636 -0.006,637 -0.133,638 -0.042,639 -0.147,640 -0.074,641 -0.128,642 -0.118,643 2.049,644 5.467,645 0.806,646 32.489,647 1.003,648 1.126,649 2.893,650 8.37,651 0.678,652 3.584,653 3.932,654 4.234,655 4.511,656 4.762,657 4.86,658 4.997,659 5.069,660 5.142,661 5.204,662 7.976,663 0.638,664 439.6,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.67,671 9.557,672 10.45,673 11.34,674 12.233,675 5.3,678 1,682 1,685 1,687 2,688 6,689 1,692 1,693 5,695 16,701 1,713 1,714 57,716 17,717 2,718 35,720 61,721 24,722 13,723 6,724 6,725 1,730 5,731 7,740 4,741 1,743 5,745 14,746 10,747 1,750 1,755 1,759 1,761 1,762 1,764 26,765 6,766 2,767 7,768 1,771 1,773 3,777 0.6,778 2,792 1,793 4,796 1,797 1,815 1,818 1,819 3,821 1,825 1,827 31,828 1,833 8,835 1,837 2,838 1,846 1,847 3.5,850 1,851 1,854 15.167,855 10.043,856 6.667,857 3.655,858 3.171,859 1.377,860 1.017,861 5.94,862 11.573,863 3.807,864 4.404,865 4.996,866 5.575,867 6.078,868 6.369,869 6.687,870 6.882,871 6.83,872 6.938,873 1,874 51,875 11.552,877 5.083,878 7.737,879 22.492,881 19.575,883 2.237,884 69.333,887 1,888 282.506,889 138.415,890 50.998,892 36.145,893 14.96,894 31.052,895 107.363,896 318.651,897 65.958,899 53.945,900 56.857,901 55.825,902 27.132,903 15.706,904 313.558,906 282.506,907 158.361,908 51.105,909 31.052,911 203.298,912 119.314,913 11,915 59.826,916 83.559,917 14.976,918 31.052,919 297.467,920 87.142,921 138.415,924 282.506,925 81.557,926 59.982,928 98.978,929 282.506,930 102.102,931 138.415,933 0.589,934 0.347,935 0.187,936 0.105,937 26,938 11,939 0.082,940 5,941 2,942 1.16,943 4.358,944 283.876,945 0.16,946 25,947 149.58,948 1,951 20.841,952 8.836,953 4.331,954 2.039,955 102.102,956 10.712,957 4.653,960 1.399,961 3.869,963 32.897,964 523.024,965 44,970 11.463,974 -0.383,975 57.152,976 64.156,977 0.281,978 0.64,979 0.822,980 0.893,981 0.91,982 0.91,983 5.069,984 1.57,985 5.999,986 5.723,987 4.615,988 5.091,989 1.876,990 6.823,991 4.544,992 6.263,993 1.529,994 7.566,995 4.337,996 4.205,997 4.934,998 0.325,999 7.745,1000 4.102,1001 7.572,1002 1.222,1003 9.231,1004 3.822,1005 6.225,1006 7.284,1007 1.919,1008 10.843,1009 6.101,1010 8.915,1011 1.182,1012 10.954,1013 3.236,1014 6.635,1015 7.995,1016 0.268,1017 12.605,1018 6.488,1019 10.293,1020 1.011,1021 12.715,1022 2.831,1023 8.118,1024 9.831,1025 2.039,1026 15.217,1027 7.952,1028 11.695,1029 1,1030 14.503,1031 2.388,1032 8.906,1033 10.947,1034 0.188,1035 17.326,1036 8.721,1037 13.117,1038 0.637,1039 16.31,1040 2.275,1041 10.173,1042 12.578,1043 2.2,1044 19.777,1045 9.967,1046 3.165,1047 0.509,1048 18.131,1049 1.517,1050 11.142,1051 13.889,1052 0.125,1053 22.033,1054 10.916,1055 3.077,1056 10.913,1057 19.964,1058 1.243,1059 12.321,1060 15.434,1061 2.388,1062 24.429,1063 12.075,1064 2.662,1065 10.291,1066 21.807,1067 4.515,1068 13.376,1069 16.839,1070 0.082,1071 26.749,1072 13.108,1073 2.613,1074 8.14,1075 23.657,1076 4.006,1077 14.522,1078 18.351,1079 2.597,1080 29.126,1081 14.232,1082 2.362,1083 7.935,1084 25.514,1085 3.265,1086 15.617,1087 19.801,1088 0.054,1089 31.475,1090 15.304,1091 2.056,1092 6.896,1093 27.375,1094 3.204,1095 16.752,1096 21.3,1097 2.824,1098 33.848,1099 16.416,1100 1.959,1101 6.012,1102 29.242,1103 2.679,1104 17.868,1105 22.773,1106 0.035,1107 36.209,1108 17.508,1109 14064,1110 23498,1111 23.868,1112 38.648,1113 53.503,1114 53.995,1115 54.493,1116 53.218,1117 53.107,1118 66.478,1119 5.861,1120 155.118,1121 51.095,1122 5.58,1123 5.522,1124 6.249,1125 5.22,1126 5.165,1127 7.515,1128 2.302,1129 18.066,1130 5.066,1131 13.5,1132 1.529,1133 1.543,1134 1.557,1135 1.521,1136 1.517,1137 1.899,1138 0.167,1139 4.432,1140 1.46,1141 4.097,1142 4.117,1143 4.315,1144 4.073,1145 8.201,1146 4.04,1147 4.01,1148 4.029,1149 3.962,1150 3.944,1151 7.437,1152 3.942,1153 3.813,1154 3.87,1155 3.713,1156 3.677,1157 4.912,1158 3.672,1159 3.583,1160 3.621,1161 3.503,1162 3.421,1163 4.89,1164 3.428,1165 3.419,1166 3.481,1167 3.482,1168 3.261,1169 4.747,1170 3.256,1171 3.273,1172 3.323,1173 3.244,1174 3.177,1175 4.391,1176 3.136,1177 3.219,1178 3.28,1179 3.099,1180 2.995,1181 4.302,1182 3.005,1183 3.111,1184 3.206,1185 2.979,1186 2.941,1187 4.158,1188 2.91,1189 0.131,1190 0.101,1191 0.192,1192 0.118,1193 0.09,1194 4.58,1195 0.129,1196 3.522,1197 0.033,1198 6.712,1199 0.312,1200 4.135,1201 0.088,1202 3.165,1203 4.515,1204 1.151,1205 10.913,1206 3.066,1207 1.987,1208 1.966,1209 2.103,1210 2.091,1211 1.451,1212 2.096,1213 1.947,1214 1.927,1215 2.062,1216 2.041,1217 1.344,1218 2.05,1219 1.805,1220 1.757,1221 1.936,1222 1.934,1223 1.134,1224 1.945,1225 1.549,1226 1.507,1227 1.757,1228 1.742,1229 1.059,1230 1.742,1231 1.408,1232 1.349,1233 1.662,1234 1.614,1235 0.86,1236 1.634,1237 1.214,1238 1.17,1239 1.513,1240 1.44,1241 0.825,1242 1.434,1243 1.153,1244 1.069,1245 1.385,1246 1.376,1247 0.641,1248 1.429,1249 1.119,1250 1.064,1251 1.32,1252 1.365,1253 0.398,1254 1.374,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.433,1267 13.467,1269 5.424,1271 7.629,1273 6.052,1275 0.509,1276 2.5,1280 36.386,1281 93.469,1282 212.887,1283 273.191,1284 296.965,1285 302.475,1286 302.475,1287 55.046,1288 8.402,1289 68.45,1290 96.69,1291 29,1292 12.76,1293 4.17,1294 3.322,1295 44.035,1296 152,1297 137,1298 0.141,1299 221.305,1300 383.3,1301 531.744,1302 62537,1303 1.8,1304 21.372,1305 0.689,1306 0.586,1307 20.855,1308 18.167,1309 15.081,1310 0.431,1311 0.333,1312 10.834,1313 14.093,1314 10.585,1315 8.621,1316 15.141,1317 11.67,1318 13.874,1319 0.277,1320 0.186,1321 13.791,1322 9.305,1323 11.947,1324 0.176,1325 0.109,1326 12.3,1327 7.431,1328 10.075,1329 0.112,1330 0.064,1331 10.641,1332 5.765,1333 8.384,1334 0.072,1335 0.037,1336 8.839,1337 4.299,1338 0.229,1339 98.731,1340 0.205,1341 29.624,1342 0.367,1343 170,1344 501.045,1345 206.7,1346 478.37,1347 646.77,1348 448,1349 203,1350 450.496,1351 237.599,1352 467.588,1353 687.03,1354 442,1355 7.398} {0 CHEMBL446459,1 1.676,2 7.85,3 3.228,4 10.418,5 74.611,6 7.266,7 0.286,8 3.755,9 3.89,10 3.275,11 3.188,12 4.84,13 3.184,14 4.328,15 4.529,16 3.659,17 3.536,18 5.638,19 3.519,20 4.541,21 4.769,22 3.656,23 3.651,24 5.654,25 3.611,26 4.491,27 4.718,28 3.61,29 3.665,30 5.503,31 3.607,32 4.542,33 4.772,34 3.622,35 3.682,36 5.699,37 3.595,38 4.589,39 4.854,40 3.377,41 3.64,42 5.514,43 3.512,44 4.51,45 4.789,46 3.289,47 3.471,48 5.545,49 3.342,50 4.396,51 4.703,52 2.987,53 3.133,54 5.65,55 3.001,56 0.081,57 0.685,58 8.477,59 3.499,60 13.511,61 4.702,62 0.507,63 1.106,64 17.452,65 5.727,66 73.63,67 7.749,68 0.692,69 1.075,70 22.658,71 6.02,72 62.779,73 8.95,74 0.369,75 1.071,76 20.4,77 6.202,78 38.944,79 9.286,80 0.633,81 1.107,82 21.782,83 6.459,84 52.487,85 9.986,86 0.461,87 1.097,88 23.734,89 7.474,90 52.625,91 10.771,92 0.387,93 1.058,94 22.364,95 6.985,96 49.007,97 9.946,98 0.806,99 0.84,100 21.981,101 5.187,102 87.272,103 7.423,104 35,105 29,106 0.307,107 0.632,108 0.784,109 0.845,110 0.845,111 0.845,112 3.058,113 0.948,114 -3.89,115 -3.84,116 -3.65,119 35.9,120 3,125 1,127 2,128 1,140 3,141 1,142 2,157 1,169 3,172 5,174 2,175 1,176 1,178 4,182 3,184 1,186 2,189 2,193 2,197 4,199 3,202 1,203 2,206 1,208 4,211 5,220 1,222 2,226 2,231 2,233 2,259 502,260 12.93,261 12.93,262 12.93,263 12.93,264 12.93,265 11.971,266 19.574,267 7.71,268 13.452,269 10.382,270 10.382,271 10.382,272 10.382,273 10.382,274 8.845,275 27.211,276 3.691,277 11.256,278 3.609,279 1.835,280 1.007,281 0.673,282 0.673,283 0.673,284 3.713,287 1,288 1,289 1,290 317,291 3.391,295 97.696,299 83.88,302 1.265,303 25.469,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 45.5,315 157,316 4.469,317 3.472,318 6.691,319 4.119,320 3.156,321 4.089,322 1.51,323 10.827,324 3.044,325 3.809,326 3.226,327 5.691,328 3.432,329 2.513,330 3.098,331 1.284,332 7.588,333 2.309,334 3.506,335 2.976,336 5.308,337 3.24,338 2.33,339 2.701,340 0.86,341 6.769,342 2.118,343 3.165,344 2.675,345 4.753,346 2.955,347 2.071,348 2.178,349 0.553,350 5.141,351 1.882,352 3.051,353 2.304,354 4.614,355 2.921,356 2,357 2.066,358 0.247,359 5.05,360 1.743,361 2.871,362 1.632,363 4.248,364 2.414,365 1.44,366 2.019,368 3.805,369 1.399,370 2.529,371 1.445,372 3.824,373 2.269,374 1.306,375 1.532,377 3.102,378 1.25,379 1.683,380 1.123,381 3.089,382 1.478,383 0.604,384 0.633,386 1.382,387 0.522,388 1.375,389 0.51,390 2.692,391 1.041,392 0.122,393 0.141,395 0.302,396 0.111,397 0.902,398 0.451,399 2.636,400 0.573,401 -0.364,402 -0.423,404 -0.929,405 -0.337,406 0.747,407 -0.006,408 2.35,409 0.421,410 -0.519,411 -0.597,413 -1.442,414 -0.485,415 0.357,416 -0.165,417 2.125,418 0.078,419 -0.867,420 -0.982,422 -2,423 -0.7,424 0.187,425 -0.627,426 1.782,428 -1,429 -1,431 -2,432 -0.818,434 -0.712,435 1.532,436 -0.062,437 -1,438 -1,440 -2.239,441 -0.929,443 -1,444 1.343,445 -0.3,446 -1,447 -1.161,449 -2.823,450 -1,451 9.105,452 0.455,453 0.617,454 0.031,455 21.5,456 1.075,457 8.5,458 0.425,459 13,460 0.65,461 17.448,462 0.872,463 23.895,464 0.613,465 15.341,466 0.767,467 4.285,468 0.214,469 5.185,470 0.259,471 0.228,473 0.384,475 2,479 0.68,480 1.221,481 0.783,482 1.289,483 0.615,484 1.11,485 0.77,486 0.911,487 0.814,488 1.047,489 0.634,490 0.967,491 1.061,492 0.738,493 1.028,494 0.793,495 0.817,496 0.879,497 0.797,498 0.951,499 0.953,500 1.069,501 0.592,502 1.051,503 0.516,504 0.711,505 0.995,506 1.109,507 0.405,508 1.188,509 0.81,510 0.912,511 1.03,512 1.091,513 0.721,514 1.126,515 0.826,516 1.162,517 0.924,518 1.22,519 0.846,520 1.139,521 1.225,522 1.058,523 1.166,524 0.881,525 1.402,526 0.966,527 5,529 2,530 1.313,531 1.498,532 0.611,533 0.549,534 0.311,535 0.103,536 0.111,537 3195,538 10435,539 1.938,540 48.7,542 7,543 1,545 2,547 9,550 1.623,551 1.765,552 2.98,553 0.41,554 1,555 1,557 1,559 65.362,560 1.676,561 3.45,562 4.278,563 4.612,564 4.612,565 4.612,566 2.466,567 3.784,568 4.287,569 3.131,570 594.799,571 7.355,572 6038.23,573 1,574 1,575 1,576 1,577 206.131,578 1.559,579 4.219,580 0.238,582 0.069,583 0.045,584 0.053,585 0.024,586 0.027,587 0.018,588 0.01,589 0.019,590 0.504,591 0.67,592 1,593 1.597,594 87.685,595 -0.054,596 -0.149,597 0.028,598 -0.091,599 -0.097,600 -0.018,601 0.151,602 0.125,603 0.113,604 0.004,605 0.198,606 0.036,607 -0.082,608 0.157,609 -0.07,610 0.159,611 -0.077,612 0.068,613 -0.102,614 -0.091,615 -0.067,616 -0.065,617 -0.053,618 -0.051,619 0.182,620 0.14,621 -0.106,622 -0.129,623 0.125,624 -0.204,625 -0.076,626 -0.091,627 -0.115,628 -0.105,629 -0.061,630 -0.119,631 -0.006,632 -0.286,633 0.024,634 -0.236,635 0.022,636 -0.131,637 0.047,638 -0.022,639 -0.084,640 -0.019,642 -0.067,643 3.752,644 4.264,645 0.5,646 15.21,647 1.016,648 1.157,649 2.657,650 7.057,651 0.62,652 3.091,653 3.401,654 3.584,655 3.871,656 4.127,657 4.159,658 4.263,659 4.234,660 4.234,661 3.85,662 4.907,663 0.597,664 283.36,665 3.091,666 4.615,667 5.434,668 6.312,669 7.165,670 8.05,671 8.92,672 9.809,673 10.688,674 11.578,675 7.7,677 1,680 1,684 1,688 3,693 3,695 6,707 1,712 1,714 39,716 7,717 1,718 21,720 40,721 14,722 6,723 3,724 3,729 1,730 2,731 3,734 1,736 4,740 1,743 2,745 7,746 7,750 1,758 1,759 1,760 1,761 1,762 2,764 19,765 6,766 2,767 6,773 3,777 0.5,778 1,793 2,797 1,814 1,819 1,823 3,825 2,827 20,833 1,834 2,835 1,837 3,846 2,847 2.6,852 1,854 11.333,855 7.652,856 4.417,857 2.386,858 1.622,859 1.252,860 0.931,861 4.814,862 8.05,863 3.258,864 3.773,865 4.23,866 4.774,867 5.297,868 5.472,869 5.76,870 5.973,871 6.155,872 5.923,873 1,874 29,875 7.464,877 3.135,878 8.083,879 13.839,881 10.933,883 2.583,884 51.667,888 200.109,889 78.21,890 52.807,892 11,893 29.92,895 78.21,896 211.109,897 82.727,898 26.476,899 2.106,900 54.554,901 18.011,902 68.891,903 13.67,904 188.338,906 200.109,907 131.017,908 40.92,911 94.169,912 146.86,914 8.115,915 63.378,916 41.514,917 18.011,919 230.029,920 63.807,921 78.21,924 208.223,925 15.191,926 54.904,927 36.022,928 57.706,929 200.109,930 93.727,931 78.21,933 0.578,934 0.303,935 0.17,936 0.106,937 13,938 7,939 0.1,940 4,941 1,942 1.2,943 3.107,944 144.634,945 0.2,946 10,947 82.439,951 15.046,952 6.4,953 3.831,955 93.727,956 5.712,961 2.488,963 36.022,964 372.046,965 25,973 4.321,974 0.352,975 39.611,976 45.121,977 0.317,978 0.653,979 0.809,980 0.873,981 0.873,982 0.873,983 4.505,984 0.604,985 5.434,986 3.102,987 4.078,988 4.454,989 2.371,990 6.229,991 3.935,992 5.688,993 0.122,994 6.984,995 1.382,996 3.761,997 4.27,998 0.623,999 7.125,1000 3.547,1001 6.977,1002 -0.364,1003 8.634,1004 0.302,1005 5.645,1006 6.518,1007 2.812,1008 10.219,1009 5.392,1010 8.297,1011 -0.519,1012 10.342,1013 -0.929,1014 6.066,1015 7.11,1016 1.178,1017 11.954,1018 5.769,1019 9.651,1020 -0.867,1021 12.09,1022 -1.442,1023 7.498,1024 8.918,1025 3.444,1026 14.601,1027 7.169,1028 11.03,1029 -1,1030 13.868,1031 -2,1032 8.285,1033 9.906,1034 1.7,1035 16.709,1036 7.933,1037 12.43,1038 -1,1039 15.668,1040 -2,1041 9.534,1042 11.512,1043 4.165,1044 19.191,1045 9.153,1046 3.156,1047 -1,1048 17.487,1049 -2.239,1050 10.507,1051 12.705,1052 2.213,1053 21.459,1054 10.108,1055 2.513,1056 10.827,1057 19.321,1058 -2.823,1059 11.684,1060 14.213,1061 4.929,1062 23.88,1063 11.256,1064 2.33,1065 7.588,1066 21.167,1067 4.089,1068 12.748,1069 15.51,1070 2.722,1071 26.214,1072 12.298,1073 2.071,1074 6.769,1075 23.023,1076 3.098,1077 13.899,1078 16.969,1079 5.717,1080 28.611,1081 13.422,1082 2,1083 5.141,1084 24.887,1085 2.701,1086 15.007,1087 18.319,1088 3.229,1089 30.972,1090 14.503,1091 1.44,1092 5.05,1093 26.758,1094 2.178,1095 16.152,1096 19.753,1097 6.517,1098 33.36,1099 15.617,1100 1.306,1101 3.805,1102 28.633,1103 2.066,1104 17.28,1105 21.131,1106 3.735,1107 35.733,1108 16.716,1109 3368,1110 6204,1111 13.235,1112 24.199,1113 31.486,1114 31.702,1115 32.242,1116 31.106,1117 31.082,1118 36.911,1119 8.909,1120 87.929,1121 28.757,1122 5.378,1123 5.472,1124 6.21,1125 5.193,1126 5.156,1127 7.089,1128 3.02,1129 17.999,1130 5.044,1131 12.259,1132 1.499,1133 1.51,1134 1.535,1135 1.481,1136 1.48,1137 1.758,1138 0.424,1139 4.187,1140 1.369,1141 4.006,1142 4.041,1143 3.96,1144 3.906,1145 8.362,1146 3.913,1147 3.651,1148 3.715,1149 3.566,1150 3.438,1151 7.999,1152 3.447,1153 3.585,1154 3.651,1155 3.441,1156 3.382,1157 4.922,1158 3.39,1159 3.42,1160 3.489,1161 3.304,1162 3.236,1163 4.627,1164 3.237,1165 3.17,1166 3.262,1167 3.029,1168 2.916,1169 4.351,1170 2.935,1171 2.874,1172 3.009,1173 2.721,1174 2.643,1175 3.985,1176 2.645,1177 2.839,1178 2.904,1179 2.583,1180 2.618,1181 3.823,1182 2.57,1183 2.746,1184 2.83,1185 2.499,1186 2.543,1187 3.676,1188 2.55,1189 0.213,1190 0.165,1191 0.319,1192 0.196,1193 0.15,1194 4.469,1195 0.195,1196 3.472,1197 0.072,1198 6.691,1199 0.516,1200 4.119,1201 0.145,1202 3.156,1203 4.089,1204 1.51,1205 10.827,1206 3.044,1207 1.951,1208 1.924,1209 2.047,1210 2.079,1211 1.223,1212 2.069,1213 1.601,1214 1.539,1215 1.88,1216 1.834,1217 1.05,1218 1.842,1219 1.526,1220 1.456,1221 1.731,1222 1.772,1223 0.927,1224 1.769,1225 1.398,1226 1.327,1227 1.677,1228 1.607,1229 0.801,1230 1.632,1231 1.088,1232 1.006,1233 1.417,1234 1.395,1235 0.469,1236 1.379,1237 0.934,1238 0.804,1239 1.313,1240 1.239,1241 0.341,1242 1.308,1243 0.797,1244 0.741,1245 1.059,1246 1.043,1247 0.159,1248 1.036,1249 0.68,1250 0.614,1251 0.92,1252 0.986,1254 0.981,1255 3.761,1257 5.069,1259 6.564,1261 8.164,1263 9.828,1265 5.8,1267 24.528,1271 -0.429,1272 5.643,1273 5.741,1275 -2.49,1280 23.287,1281 65.362,1282 134.563,1283 166.846,1284 179.866,1285 179.866,1286 179.866,1287 37.617,1288 6.428,1289 45.65,1290 45.65,1291 12,1292 12.109,1293 3,1294 2.322,1295 36.205,1296 57,1297 60,1298 0.321,1299 145.342,1300 258.51,1301 346.395,1302 4237,1303 5.1,1304 14.698,1305 0.735,1306 0.589,1307 13.121,1308 11.783,1309 9.469,1310 0.451,1311 0.316,1312 6.493,1313 8.907,1314 6.29,1315 5.226,1316 8.613,1317 6.635,1318 8.934,1319 0.308,1320 0.17,1321 7.752,1322 4.938,1323 6.236,1324 0.178,1325 0.082,1326 5.78,1327 2.861,1328 5.352,1329 0.114,1330 0.044,1331 5.191,1332 2.06,1333 4.542,1334 0.074,1335 0.023,1336 4.171,1337 1.394,1338 0.485,1339 60.635,1340 0.275,1341 19.644,1342 0.934,1343 100,1344 412.269,1345 118.541,1346 336.569,1347 440.68,1348 316,1349 114,1350 302.772,1351 128.721,1352 292.103,1353 434.15,1354 276,1355 7.086} {0 CHEMBL446745,1 1.367,2 23.511,3 7.114,4 50.603,5 192.34,6 6.327,7 0.385,8 4.676,9 4.821,10 4.104,11 4.199,12 5.591,13 4.143,14 5.283,15 5.493,16 4.449,17 4.646,18 6.125,19 4.55,20 5.605,21 5.858,22 4.477,23 4.827,24 6.387,25 4.682,26 5.692,27 5.971,28 4.431,29 4.833,30 6.453,31 4.663,32 5.641,33 5.925,34 4.389,35 4.745,36 6.433,37 4.584,38 5.539,39 5.809,40 4.343,41 4.675,42 6.356,43 4.528,44 5.494,45 5.762,46 4.304,47 4.624,48 6.344,49 4.475,50 5.472,51 5.743,52 4.162,53 4.564,54 6.306,55 4.401,56 0.118,57 1.49,58 24.669,59 9.618,60 13.79,61 14.168,62 0.405,63 2.471,64 45.53,65 16.68,66 33.816,67 25.061,68 0.486,69 3.069,70 62.378,71 22.969,72 54.738,73 34.175,74 0.497,75 3.176,76 67.701,77 24.951,78 65.25,79 37.238,80 0.593,81 2.97,82 64.881,83 22.925,84 72.296,85 34.3,86 0.579,87 2.772,88 58.98,89 20.098,90 60.428,91 30.414,92 0.565,93 2.626,94 56.293,95 19.393,96 66.551,97 29.328,98 0.618,99 2.503,100 55.407,101 18.577,102 65.274,103 27.869,104 17,105 71,106 0.199,107 0.47,108 0.635,109 0.703,110 0.721,111 0.729,112 3.873,113 1.045,114 -4.83,115 -4.74,116 -4.45,119 38.6,121 13,122 2,124 2,125 4,140 6,141 4,142 2,149 2,150 2,156 2,169 20,172 6,174 2,176 12,178 21,182 4,186 12,189 18,193 8,197 8,199 17,203 8,207 2,208 4,211 18,215 6,218 2,220 6,222 17,226 6,229 2,231 4,233 14,237 8,240 2,242 4,244 17,249 2,254 4,256 16,259 5560,260 32.153,261 32.153,262 32.153,263 32.153,264 32.153,265 29.634,266 38.838,267 19.355,268 32.551,269 25.733,270 25.733,271 25.733,272 25.733,273 25.733,274 21.706,275 49.09,276 9.339,277 26.325,278 5.291,279 3.426,280 2.285,281 1.817,282 1.693,283 1.639,284 4.586,289 1,290 2450,291 4.796,294 286.073,295 673.586,298 503.736,302 3.35,303 32.846,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 99,315 1105,316 4.586,317 3.592,318 6.719,319 4.161,320 3.173,321 4.52,322 1.907,323 10.946,324 3.137,325 4.586,326 3.592,327 6.719,328 4.161,329 3.173,330 4.52,331 1.907,332 10.946,333 3.137,334 3.881,335 3.295,336 5.783,337 3.622,338 2.643,339 3.237,340 0.8,341 7.948,342 2.586,343 3.88,344 3.295,345 5.783,346 3.622,347 2.643,348 3.237,349 0.8,350 7.948,351 2.586,352 3.673,353 2.782,354 5.417,355 3.444,356 2.47,357 2.894,358 0.149,359 7.111,360 2.41,361 3.672,362 2.782,363 5.417,364 3.443,365 2.469,366 2.894,367 0.149,368 7.111,369 2.408,370 3.407,371 2.534,372 5.035,373 3.147,374 2.187,375 2.62,377 6.012,378 2.095,379 3.406,380 2.534,381 5.035,382 3.143,383 2.185,384 2.619,386 6.012,387 2.089,388 3.287,389 2.237,390 4.793,391 2.992,392 2.012,393 2.39,395 5.412,396 1.956,397 3.287,398 2.236,399 4.792,400 2.974,401 1.991,402 2.39,404 5.411,405 1.939,406 2.874,407 1.901,408 4.543,409 2.822,410 1.817,411 1.954,413 4.353,414 1.821,415 2.849,416 1.637,417 4.543,418 2.486,419 1.502,420 1.953,422 4.353,423 1.485,424 2.847,425 1.522,426 3.965,427 2.486,428 1.502,429 1.871,431 3.733,432 1.476,433 2.567,434 1.522,435 3.964,436 2.485,437 1.48,438 1.58,440 3.11,441 1.476,442 2.551,443 1.272,444 3.875,445 2.118,446 1.154,447 1.566,449 3.035,450 1.11,451 22.567,452 0.48,453 1.006,454 0.021,455 50,456 1.064,457 20,458 0.426,459 30,460 0.638,461 55.984,462 1.191,463 53.033,464 0.525,465 38.61,466 0.821,467 8.643,468 0.184,469 14.28,470 0.304,471 0.074,473 0.301,479 0.834,480 1.415,481 0.966,482 1.184,483 0.557,484 1.096,485 0.833,486 1.175,487 1.021,488 1.085,489 0.499,490 1.065,491 1.007,492 1.067,493 1.055,494 1.065,495 0.948,496 1.064,497 0.838,498 1.035,499 0.961,500 1.042,501 0.837,502 1.018,503 1.031,504 0.978,505 0.933,506 0.965,507 1.182,508 0.948,509 1.188,510 1.006,511 1.046,512 1.003,513 1.205,514 1.007,515 1.062,516 1.09,517 1.02,518 1.064,519 1.154,520 1.041,521 1.483,522 0.961,523 1.17,524 1.025,525 1.681,526 1.062,527 8.5,528 0.213,529 4.667,530 2.639,531 2.081,532 1.202,533 0.991,534 0.741,535 0.44,536 0.263,537 59070,538 112212,539 2.127,540 53.5,541 16,542 20,543 2,545 4,546 4,547 8,550 1.826,551 2.029,552 4.451,553 1.261,559 138.075,560 1.367,561 3.232,562 4.374,563 4.842,564 4.965,565 5.02,566 3.863,567 4.406,568 5.533,569 4.674,570 5052.73,571 9.744,572 118677,577 672.479,578 1.253,579 5.503,580 0.163,581 0.005,582 0.066,583 0.038,584 0.032,585 0.019,586 0.017,587 0.013,588 0.009,589 0.006,590 0.369,592 0.63,593 0.421,594 293.085,595 -0.013,596 -0.11,597 0.06,598 -0.005,599 0.017,600 0.028,601 0.047,602 0.003,603 -0.009,604 -0.004,605 0.095,606 -0.009,607 -0.085,608 -0.022,609 -0.064,610 -0.03,611 -0.039,612 -0.042,613 -0.004,614 -0.057,615 0.011,616 -0.032,617 0.02,618 -0.012,619 0.017,620 -0.015,621 0.057,622 0.019,623 -0.021,624 0.037,625 -0.05,626 0.012,627 -0.037,628 -0.022,629 -0.066,630 -0.026,631 0.05,632 -0.083,633 -0.015,634 -0.073,635 0.017,636 -0.053,637 -0.136,638 0.036,639 -0.146,640 -0.058,641 -0.164,642 -0.096,643 1.569,644 5.663,645 0.638,646 75.806,647 0.985,648 1.132,649 3.598,650 12.944,651 0.636,652 3.97,653 4.277,654 4.533,655 4.804,656 5.03,657 5.136,658 5.283,659 5.412,660 5.425,661 5.447,662 13.511,663 0.586,664 638.99,665 3.97,666 5.509,667 6.351,668 7.22,669 8.082,670 8.961,671 9.836,672 10.722,673 11.604,674 12.495,675 5.9,678 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,714 101,716 22,717 2,718 52,720 106,721 39,722 16,723 6,724 6,730 6,731 8,740 4,741 2,743 13,745 18,746 21,747 2,750 2,755 2,759 2,764 54,765 6,766 4,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,805 2,815 2,819 4,823 2,827 47,833 17,834 2,837 2,838 2,847 2,850 2,854 23.167,855 18.067,856 10.333,857 6.814,858 3.888,859 1.422,860 0.99,861 11.859,862 13.101,863 4.174,864 4.723,865 5.279,866 5.891,867 6.392,868 6.767,869 7.188,870 7.569,871 7.565,872 7.753,873 1,874 70,875 17.558,877 7.449,878 7.475,879 35.129,881 30.041,883 1.975,884 92.833,888 588.555,889 163.845,890 75.841,892 50.29,895 163.845,896 638.845,897 75.841,898 16.793,899 77.393,900 74.952,901 59.699,902 56.85,903 27.83,904 565.013,906 588.555,907 239.686,908 50.29,911 494.386,912 144.459,915 117.213,916 122.473,919 588.555,920 126.131,921 163.845,924 588.555,925 72.1,926 97.994,927 69.593,928 50.29,929 588.555,930 126.131,931 163.845,933 0.575,934 0.324,935 0.174,936 0.098,937 32,938 14,939 0.132,940 14,941 2,942 1.133,943 5.958,944 457.838,945 0.133,946 30,947 207.066,951 33.922,952 16.43,953 9.143,954 4.766,955 92.56,956 16.792,958 6.854,961 4.553,963 69.593,964 878.531,965 64,970 25.327,974 0.195,975 99.472,976 114.373,977 0.205,978 0.485,979 0.657,980 0.727,981 0.746,982 0.754,983 5.421,984 2.185,985 6.315,986 6.012,987 4.963,988 5.412,989 2.709,990 7.094,991 4.921,992 6.588,993 2.012,994 7.848,995 6.012,996 4.443,997 5.215,998 2.262,999 7.928,1000 4.386,1001 7.877,1002 1.991,1003 9.481,1004 5.412,1005 6.521,1006 7.577,1007 3.595,1008 11.043,1009 6.442,1010 9.202,1011 1.817,1012 11.176,1013 5.411,1014 6.847,1015 8.303,1016 3.716,1017 12.778,1018 6.76,1019 10.567,1020 1.502,1021 12.914,1022 4.353,1023 8.361,1024 10.142,1025 4.727,1026 15.408,1027 8.255,1028 11.96,1029 1.502,1030 14.683,1031 4.353,1032 9.101,1033 11.302,1034 5.099,1035 17.528,1036 8.991,1037 13.376,1038 1.48,1039 16.477,1040 3.733,1041 10.383,1042 12.941,1043 5.942,1044 19.999,1045 10.258,1046 3.173,1047 1.154,1048 18.291,1049 3.11,1050 11.331,1051 14.299,1052 6.442,1053 22.279,1054 11.203,1055 3.173,1056 10.946,1057 20.12,1058 3.035,1059 12.52,1060 15.859,1061 7.194,1062 24.697,1063 12.379,1064 2.643,1065 10.946,1066 21.963,1067 4.52,1068 13.571,1069 17.304,1070 7.761,1071 27.043,1072 13.425,1073 2.643,1074 7.948,1075 23.816,1076 4.52,1077 14.726,1078 18.832,1079 8.464,1080 29.444,1081 14.569,1082 2.47,1083 7.948,1084 25.678,1085 3.237,1086 15.826,1087 20.313,1088 9.067,1089 31.817,1090 15.663,1091 2.469,1092 7.111,1093 27.547,1094 3.237,1095 16.971,1096 21.829,1097 9.744,1098 34.211,1099 16.798,1100 2.187,1101 7.111,1102 29.422,1103 2.894,1104 18.096,1105 23.326,1106 10.367,1107 36.596,1108 17.915,1109 53946,1110 74546,1111 35.482,1112 64.217,1113 77.073,1114 78.396,1115 78.583,1116 76.618,1117 76.626,1118 94.146,1119 11.424,1120 214.46,1121 75.005,1122 5.586,1123 5.592,1124 6.629,1125 5.197,1126 5.173,1127 7.52,1128 3.306,1129 18.076,1130 5.137,1131 20.614,1132 1.482,1133 1.508,1134 1.511,1135 1.473,1136 1.474,1137 1.811,1138 0.22,1139 4.124,1140 1.442,1141 4.172,1142 4.208,1143 4.125,1144 4.086,1145 7.431,1146 4.091,1147 4.124,1148 4.158,1149 4.084,1150 4.043,1151 7.427,1152 4.049,1153 3.821,1154 3.883,1155 3.698,1156 3.696,1157 4.981,1158 3.681,1159 3.815,1160 3.879,1161 3.692,1162 3.671,1163 4.949,1164 3.667,1165 3.809,1166 3.875,1167 3.678,1168 3.665,1169 4.383,1170 3.662,1171 3.703,1172 3.757,1173 3.59,1174 3.544,1175 4.379,1176 3.541,1177 3.577,1178 3.633,1179 3.472,1180 3.384,1181 4.32,1182 3.398,1183 3.457,1184 3.524,1185 3.338,1186 3.293,1187 4.295,1188 3.299,1189 0.088,1190 0.069,1191 0.129,1192 0.08,1193 0.061,1194 4.586,1195 0.087,1196 3.592,1197 0.037,1198 6.719,1199 0.21,1200 4.161,1201 0.06,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.137,1207 1.966,1208 1.94,1209 2.086,1210 2.065,1211 1.443,1212 2.073,1213 1.965,1214 1.94,1215 2.084,1216 2.063,1217 1.443,1218 2.072,1219 1.831,1220 1.775,1221 2.058,1222 2.002,1223 1.421,1224 2.015,1225 1.825,1226 1.77,1227 1.99,1228 1.996,1229 1.265,1230 1.999,1231 1.806,1232 1.749,1233 1.98,1234 1.958,1235 1.143,1236 1.979,1237 1.679,1238 1.624,1239 1.917,1240 1.854,1241 1.137,1242 1.875,1243 1.488,1244 1.433,1245 1.729,1246 1.72,1247 1.02,1248 1.715,1249 1.463,1250 1.395,1251 1.665,1252 1.688,1253 0.825,1254 1.684,1255 4.654,1257 5.964,1258 3.045,1259 7.453,1260 5.416,1261 9.031,1262 7.535,1263 10.661,1265 4.388,1271 17.736,1272 6.264,1275 1.16,1276 4.797,1280 59.201,1281 138.075,1282 326.439,1283 441.743,1284 488.995,1285 501.46,1286 506.97,1287 93.571,1288 9.213,1289 96.26,1290 96.26,1291 34,1292 13.025,1293 4.524,1294 3.7,1295 74.192,1296 400,1297 318,1298 0.086,1299 359.996,1300 622.68,1301 870.15,1302 227010,1304 32.589,1305 0.693,1306 0.606,1307 32.589,1308 28.505,1309 22.924,1310 0.441,1311 0.348,1312 17.946,1313 22.292,1314 17.514,1315 14.538,1316 22.924,1317 18.116,1318 20.462,1319 0.288,1320 0.2,1321 20.462,1322 14.235,1323 16.852,1324 0.183,1325 0.115,1326 16.852,1327 10.619,1328 13.995,1329 0.116,1330 0.063,1331 13.995,1332 7.657,1333 11.367,1334 0.075,1335 0.037,1336 11.367,1337 5.599,1338 0.147,1339 141.816,1340 0.168,1341 43.004,1342 0.207,1343 246,1344 546.093,1345 261.475,1346 538.006,1347 744.7,1348 506,1349 286,1350 551.245,1351 301.312,1352 564.269,1353 821.02,1354 532,1355 9.046} {0 CHEMBL448555,1 1.553,2 28.621,3 7.167,4 51.363,5 222.779,6 7.306,7 0.492,8 4.777,9 4.899,10 4.327,11 4.312,12 5.831,13 4.292,14 5.356,15 5.527,16 4.687,17 4.736,18 6.39,19 4.691,20 5.656,21 5.875,22 4.739,23 4.904,24 6.643,25 4.815,26 5.729,27 5.971,28 4.67,29 4.909,30 6.656,31 4.791,32 5.76,33 6.026,34 4.626,35 4.846,36 6.63,37 4.729,38 5.642,39 5.885,40 4.62,41 4.81,42 6.661,43 4.702,44 5.618,45 5.866,46 4.569,47 4.808,48 6.493,49 4.685,50 5.653,51 5.914,52 4.545,53 4.753,54 6.542,55 4.64,56 0.058,57 1.705,58 22.738,59 10.204,60 12.529,61 13.245,62 0.474,63 2.811,64 44.582,65 17.339,66 50.168,67 23.023,68 0.882,69 3.543,70 64.582,71 23.875,72 96.585,73 32.37,74 0.593,75 3.593,76 70.293,77 26.223,78 102.113,79 36.564,80 0.985,81 3.401,82 76.324,83 25.727,84 115.253,85 36.519,86 1.32,87 3.25,88 66.103,89 22.718,90 156.28,91 32.047,92 0.582,93 3.186,94 63.017,95 23.727,96 79.974,97 33.51,98 0.826,99 3.165,100 67.995,101 23.403,102 102.946,103 32.789,104 17,105 90,106 0.22,107 0.519,108 0.66,109 0.726,110 0.726,111 0.726,112 4.079,113 0.938,114 -4.8,115 -4.72,116 -4.43,119 42.6,121 4,122 2,125 10,140 14,141 6,142 4,149 2,150 2,156 2,169 20,172 6,174 2,176 12,178 22,181 3,182 6,186 14,189 16,193 10,197 10,199 12,203 10,207 2,208 2,211 18,214 2,215 6,218 2,220 4,222 22,226 6,229 2,231 2,233 14,237 12,240 2,242 4,244 12,248 1,249 4,252 2,254 4,256 12,259 10204,260 39.893,261 39.893,262 39.893,263 39.893,264 39.893,265 35.948,266 47.886,267 23.689,268 40.743,269 32.122,270 32.122,271 32.122,272 32.122,273 32.122,274 26.074,275 58.715,276 11.366,277 33.45,278 5.202,279 3.093,280 2.096,281 1.63,282 1.63,283 1.63,284 4.801,289 1,290 3708,291 4.899,294 349.98,295 1331.64,298 634.217,302 4.143,303 61.52,306 0.75,307 0.33,308 0.67,309 0.7,310 0.5,311 0.67,312 0.5,313 0.59,314 126,315 1660,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.296,336 6.057,337 3.838,338 2.84,339 3.763,340 0.86,341 8.719,342 2.83,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.86,350 8.719,351 2.83,352 3.824,353 2.886,354 5.778,355 3.592,356 2.628,357 3.215,358 0.8,359 7.905,360 2.545,361 3.824,362 2.886,363 5.778,364 3.592,365 2.627,366 3.215,367 0.8,368 7.905,369 2.545,370 3.676,371 2.865,372 5.324,373 3.347,374 2.401,375 2.975,377 6.892,378 2.264,379 3.676,380 2.859,381 5.324,382 3.346,383 2.399,384 2.975,386 6.892,387 2.263,388 3.521,389 2.6,390 5.247,391 3.213,392 2.262,393 2.802,395 6.594,396 2.132,397 3.52,398 2.585,399 5.247,400 3.21,401 2.259,402 2.802,404 6.594,405 2.131,406 3.379,407 2.446,408 4.997,409 3.051,410 2.091,411 2.488,413 5.926,414 1.996,415 3.376,416 2.262,417 4.997,418 3.05,419 2.089,420 2.486,422 5.926,423 1.995,424 2.915,425 2.248,426 4.583,427 2.714,428 1.836,429 2.014,431 4.455,432 1.609,433 2.889,434 2.099,435 4.583,436 2.54,437 1.57,438 2.004,440 4.452,441 1.524,442 2.814,443 1.961,444 4.067,445 2.501,446 1.52,447 1.844,449 3.708,450 1.481,451 27.305,452 0.471,453 1.245,454 0.021,455 70,456 1.207,457 32,458 0.552,459 38,460 0.655,461 62.666,462 1.08,463 63.295,464 0.586,465 62.133,466 1.071,467 13.757,468 0.237,469 14.6,470 0.252,471 0.045,473 0.322,477 2,479 0.704,480 1.174,481 0.785,482 1.09,483 0.526,484 0.973,485 0.918,486 1.057,487 0.96,488 1.02,489 0.56,490 0.998,491 0.929,492 0.99,493 1.032,494 1.013,495 0.784,496 1.034,497 0.767,498 1.02,499 1.004,500 1.142,501 0.765,502 1.121,503 0.895,504 0.756,505 0.899,506 0.858,507 0.712,508 0.877,509 0.763,510 0.737,511 0.989,512 0.903,513 0.498,514 0.972,515 0.612,516 0.942,517 0.92,518 1.08,519 0.528,520 1.062,521 0.908,522 0.825,523 0.922,524 0.915,525 0.709,526 0.92,527 10.5,528 0.33,529 6.444,530 2.889,531 2.766,532 1.688,533 0.988,534 0.988,535 0.704,536 0.353,537 109091,538 282995,539 2.162,540 46.3,541 2,542 34,543 2,545 4,547 8,550 1.874,551 2.071,552 4.728,553 1.19,559 167.741,560 1.553,561 3.662,562 4.659,563 5.125,564 5.125,565 5.125,566 4.142,567 4.582,568 5.833,569 4.957,570 8193.83,571 10.348,572 228946,577 729.528,578 1.217,579 5.81,580 0.162,581 0.005,582 0.072,583 0.032,584 0.034,585 0.021,586 0.013,587 0.013,588 0.01,589 0.005,590 0.366,592 0.63,593 0.367,594 383.949,595 -0.035,596 -0.087,597 0.053,598 -0.016,599 -0.012,600 0.028,601 -0.064,602 -0.037,603 -0.05,604 -0.002,605 0.041,606 -0.02,607 -0.035,608 -0.005,609 -0.075,610 -0.012,611 0.013,612 -0.043,613 -0.028,614 -0.123,615 -0.054,616 -0.143,617 0.003,618 -0.109,619 -0.042,620 0.019,621 0.094,622 0.095,623 -0.01,624 0.115,625 0.109,626 0.137,627 -0.013,628 0.061,629 0.161,630 0.01,631 0.044,632 -0.078,633 0.022,634 -0.081,635 0.035,636 -0.042,637 -0.034,638 0.002,639 0.07,640 0.047,641 0.005,642 0.073,643 2.035,644 5.701,645 0.724,646 121.85,647 1.002,648 1.13,649 3.574,650 12.773,651 0.66,652 4.19,653 4.511,654 4.787,655 5.043,656 5.288,657 5.389,658 5.529,659 5.7,660 5.799,661 5.911,662 16.125,663 0.628,664 789.02,665 4.19,666 5.74,667 6.592,668 7.463,669 8.331,670 9.208,671 10.084,672 10.967,673 11.848,674 12.734,675 5.6,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 108,716 34,717 4,718 65,720 115,721 46,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 4,745 30,746 16,747 2,750 2,755 2,759 2,762 2,764 50,765 10,766 4,767 12,773 6,777 0.75,778 4,788 2,792 2,793 6,796 2,815 2,818 2,819 6,825 2,827 58,833 14,834 2,835 2,837 2,838 2,846 2,847 3.7,850 2,851 2,854 28,855 18.852,856 12.639,857 6.755,858 5.863,859 1.547,860 1.014,861 13.056,862 16.587,863 4.431,864 5.014,865 5.597,866 6.177,867 6.693,868 6.998,869 7.366,870 7.764,871 7.935,872 8.276,873 0.947,874 91,875 21.622,877 9.4,878 7.741,879 41.797,881 35.473,883 2.241,884 130,888 541.471,889 247.246,890 75.841,892 72.29,893 29.92,895 247.246,896 613.76,897 105.761,899 77.163,900 150.762,901 81.699,902 81.463,903 57.751,904 517.928,906 541.471,907 323.087,908 102.21,911 477.222,912 144.459,913 22,915 116.983,916 206.104,919 571.391,920 148.131,921 247.246,924 541.471,925 96.483,926 157.011,927 69.593,928 102.21,929 541.471,930 178.051,931 247.246,933 0.58,934 0.335,935 0.177,936 0.098,937 42,938 18,939 0.13,940 15,941 2,942 1.095,943 6.877,944 620.765,945 0.095,946 42,947 265.763,951 40.069,952 18.899,953 10.121,954 4.339,955 144.48,956 27.132,958 6.798,961 4.092,963 69.593,964 966.767,965 83,970 25.402,974 -0.525,975 108.268,976 122.056,977 0.23,978 0.542,979 0.69,980 0.759,981 0.759,982 0.759,983 5.677,984 2.399,985 6.561,986 6.892,987 5.198,988 5.704,989 2.338,990 7.348,991 5.132,992 6.861,993 2.262,994 8.102,995 6.892,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.156,1002 2.259,1003 9.741,1004 6.594,1005 6.772,1006 7.887,1007 2.211,1008 11.286,1009 6.663,1010 9.486,1011 2.091,1012 11.439,1013 6.594,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.853,1020 2.089,1021 13.177,1022 5.926,1023 8.618,1024 10.419,1025 2.172,1026 15.604,1027 8.49,1028 12.244,1029 1.836,1030 14.944,1031 5.926,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.234,1037 13.656,1038 1.57,1039 16.733,1040 4.455,1041 10.63,1042 13.157,1043 2.178,1044 20.139,1045 10.493,1046 3.174,1047 1.52,1048 18.538,1049 4.452,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.434,1055 3.174,1056 10.947,1057 20.357,1058 3.708,1059 12.745,1060 16.017,1061 2.214,1062 24.791,1063 12.601,1064 2.84,1065 10.947,1066 22.188,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.637,1073 2.84,1074 8.719,1075 24.028,1076 4.52,1077 14.924,1078 18.943,1079 2.271,1080 29.505,1081 14.771,1082 2.628,1083 8.719,1084 25.876,1085 3.763,1086 16.009,1087 20.398,1088 0.104,1089 31.866,1090 15.852,1091 2.627,1092 7.905,1093 27.732,1094 3.763,1095 17.142,1096 21.907,1097 2.343,1098 34.252,1099 16.977,1100 2.401,1101 7.905,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.068,1107 36.628,1108 18.081,1109 98640,1110 159270,1111 44.728,1112 71.239,1113 97.255,1114 99.74,1115 98.713,1116 96.825,1117 96.713,1118 122.92,1119 10.873,1120 273.986,1121 93.227,1122 5.587,1123 5.574,1124 6.609,1125 5.259,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 24.195,1132 1.496,1133 1.534,1134 1.519,1135 1.49,1136 1.488,1137 1.891,1138 0.167,1139 4.215,1140 1.434,1141 4.178,1142 4.213,1143 4.131,1144 4.09,1145 8.203,1146 4.096,1147 4.125,1148 4.159,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.927,1154 3.951,1155 3.881,1156 3.849,1157 7.431,1158 3.852,1159 3.914,1160 3.939,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.842,1166 3.904,1167 3.725,1168 3.686,1169 4.984,1170 3.686,1171 3.816,1172 3.879,1173 3.699,1174 3.669,1175 4.949,1176 3.667,1177 3.623,1178 3.664,1179 3.497,1180 3.412,1181 4.681,1182 3.425,1183 3.517,1184 3.572,1185 3.443,1186 3.342,1187 4.607,1188 3.355,1189 0.071,1190 0.055,1191 0.103,1192 0.064,1193 0.049,1194 4.587,1195 0.07,1196 3.574,1197 0.016,1198 6.719,1199 0.168,1200 4.163,1201 0.048,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.97,1208 1.946,1209 2.086,1210 2.071,1211 1.452,1212 2.077,1213 1.97,1214 1.946,1215 2.086,1216 2.069,1217 1.452,1218 2.076,1219 1.888,1220 1.864,1221 2.006,1222 2.018,1223 1.156,1224 2.017,1225 1.887,1226 1.863,1227 2.006,1228 2.014,1229 1.153,1230 2.015,1231 1.825,1232 1.773,1233 1.961,1234 1.959,1235 1.071,1236 1.961,1237 1.823,1238 1.771,1239 1.96,1240 1.958,1241 1.058,1242 1.96,1243 1.579,1244 1.532,1245 1.818,1246 1.83,1247 1.05,1248 1.826,1249 1.512,1250 1.451,1251 1.732,1252 1.73,1253 1.01,1254 1.731,1255 4.875,1257 6.196,1258 3.045,1259 7.702,1260 5.416,1261 9.291,1262 7.535,1263 10.926,1267 26.588,1271 12.592,1272 5.904,1273 11.873,1275 0.873,1276 4.931,1280 67.871,1281 167.741,1282 395.508,1283 503.205,1284 553.528,1285 553.528,1286 553.528,1287 123.79,1288 10.724,1289 114.72,1290 114.72,1291 46,1292 13.267,1293 5.129,1294 4.248,1295 85.142,1296 587,1297 499,1298 0.068,1299 405.18,1300 711.14,1301 980.399,1302 1356680,1303 1.9,1304 39.848,1305 0.687,1306 0.562,1307 38.108,1308 32.575,1309 28.357,1310 0.436,1311 0.313,1312 20.032,1313 27.223,1314 19.721,1315 16.136,1316 27.569,1317 20.322,1318 25.415,1319 0.282,1320 0.171,1321 24.171,1322 15.387,1323 21.764,1324 0.183,1325 0.098,1326 20.943,1327 11.687,1328 17.853,1329 0.116,1330 0.054,1331 17.55,1332 8.369,1333 14.694,1334 0.075,1335 0.031,1336 14.272,1337 6.054,1338 0.116,1339 177.975,1340 0.15,1341 50.727,1342 0.162,1343 310,1344 937.786,1345 339.56,1346 849.334,1347 1145.9,1348 798,1349 364,1350 819.888,1351 392.333,1352 818.868,1353 1200.52,1354 774,1355 8.824} {0 CHEMBL448902,1 1.396,2 21.045,3 5.745,4 33.005,5 178.537,6 6.488,7 0.408,8 4.592,9 4.735,10 4.045,11 4.117,12 5.53,13 4.068,14 5.193,15 5.398,16 4.401,17 4.566,18 6.063,19 4.48,20 5.508,21 5.752,22 4.429,23 4.749,24 6.323,25 4.615,26 5.604,27 5.878,28 4.381,29 4.756,30 6.393,31 4.595,32 5.549,33 5.827,34 4.336,35 4.66,36 6.372,37 4.51,38 5.436,39 5.698,40 4.288,41 4.584,42 6.29,43 4.449,44 5.386,45 5.645,46 4.247,47 4.529,48 6.277,49 4.392,50 5.361,51 5.624,52 4.096,53 4.462,54 6.241,55 4.312,56 0.102,57 1.375,58 22.106,59 8.601,60 12.35,61 12.602,62 0.38,63 2.281,64 41.144,65 14.944,66 31.291,67 22.379,68 0.454,69 2.832,70 56.63,71 20.742,72 52.114,73 30.704,74 0.467,75 2.943,76 62.352,77 22.819,78 62.781,79 33.965,80 0.566,81 2.738,82 59.594,83 20.812,84 70.799,85 31.048,86 0.549,87 2.538,88 53.435,89 17.926,90 58.022,91 27.033,92 0.53,93 2.392,94 50.728,95 17.227,96 63.968,97 25.972,98 0.594,99 2.27,100 49.952,101 16.405,102 65.5,103 24.501,104 17,105 68,106 0.206,107 0.496,108 0.664,109 0.717,110 0.717,111 0.717,112 3.809,113 1.017,114 -4.3,115 -4.24,116 -4,119 39.1,121 10,122 2,124 2,125 4,140 6,141 4,142 2,149 2,150 2,156 2,169 17,172 6,174 2,176 12,178 18,182 4,186 12,189 15,193 8,197 8,199 14,203 8,207 2,208 4,211 15,215 6,218 2,220 6,222 14,226 6,229 2,231 4,233 12,237 6,240 2,242 2,244 16,248 1,252 2,253 1,254 2,256 16,259 4452,260 30.032,261 30.032,262 30.032,263 30.032,264 30.032,265 27.513,266 38.838,267 17.855,268 30.43,269 24.233,270 24.233,271 24.233,272 24.233,273 24.233,274 20.206,275 49.09,276 8.589,277 24.825,278 5.127,279 3.17,280 2.033,281 1.669,282 1.669,283 1.669,284 4.523,289 1,290 2062,291 4.472,294 256.098,295 604.633,298 450.478,302 2.955,303 32.482,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 93,315 926,316 4.586,317 3.592,318 6.719,319 4.161,320 3.173,321 4.52,322 1.907,323 10.946,324 3.137,325 4.586,326 3.591,327 6.719,328 4.161,329 3.173,330 4.52,331 1.907,332 10.946,333 3.137,334 3.881,335 3.295,336 5.783,337 3.622,338 2.644,339 3.237,340 0.8,341 7.948,342 2.587,343 3.88,344 3.295,345 5.783,346 3.621,347 2.643,348 3.237,349 0.8,350 7.948,351 2.585,352 3.674,353 2.782,354 5.417,355 3.447,356 2.473,357 2.894,358 0.149,359 7.112,360 2.414,361 3.671,362 2.782,363 5.417,364 3.44,365 2.467,366 2.893,367 0.149,368 7.111,369 2.404,370 3.411,371 2.535,372 5.035,373 3.15,374 2.19,375 2.623,377 6.012,378 2.098,379 3.403,380 2.534,381 5.035,382 3.139,383 2.181,384 2.616,386 6.012,387 2.083,388 3.287,389 2.237,390 4.796,391 2.992,392 2.014,393 2.39,395 5.422,396 1.952,397 3.286,398 2.236,399 4.789,400 2.962,401 1.975,402 2.39,404 5.401,405 1.931,406 2.85,407 1.806,408 4.544,409 2.645,410 1.637,411 1.954,413 4.353,414 1.646,415 2.849,416 1.522,417 4.543,418 2.486,419 1.502,420 1.953,422 4.352,423 1.476,424 2.728,425 1.522,426 3.965,427 2.486,428 1.502,429 1.722,431 3.423,432 1.476,433 2.552,434 1.353,435 3.963,436 2.124,437 1.159,438 1.568,440 3.041,441 1.115,442 2.549,443 1.18,444 3.74,445 2.107,446 1.142,447 1.561,449 3.019,450 1.099,451 21.067,452 0.479,453 1.006,454 0.023,455 48.5,456 1.102,457 20,458 0.455,459 28.5,460 0.648,461 49.818,462 1.132,463 49.133,464 0.534,465 38.158,466 0.867,467 8.643,468 0.196,469 12.78,470 0.29,471 0.079,473 0.323,479 0.83,480 1.407,481 0.934,482 1.159,483 0.554,484 1.066,485 0.833,486 1.149,487 0.992,488 1.048,489 0.499,490 1.028,491 1.025,492 1.074,493 1.07,494 1.075,495 0.964,496 1.077,497 0.844,498 1.038,499 0.966,500 1.049,501 0.843,502 1.025,503 1.045,504 0.977,505 0.937,506 0.965,507 1.199,508 0.948,509 1.221,510 1.009,511 1.063,512 1.007,513 1.237,514 1.014,515 1.094,516 1.104,517 1.035,518 1.076,519 1.19,520 1.052,521 1.539,522 0.961,523 1.203,524 1.032,525 1.73,526 1.077,527 8.5,528 0.263,529 4.667,530 2.639,531 2.081,532 1.202,533 0.991,534 0.71,535 0.465,536 0.223,537 46535,538 90569,539 2.136,540 52.2,541 10,542 20,543 2,545 4,546 4,547 8,550 1.813,551 2.031,552 4.303,553 1.309,559 128.462,560 1.396,561 3.354,562 4.491,563 4.855,564 4.855,565 4.855,566 3.698,567 4.278,568 5.437,569 4.508,570 4264.49,571 9.564,572 91145.9,577 600.168,578 1.289,579 5.405,580 0.173,581 0.007,582 0.069,583 0.039,584 0.034,585 0.02,586 0.018,587 0.013,588 0.011,589 0.005,590 0.39,592 0.63,593 0.439,594 266.454,595 -0.022,596 -0.117,597 0.061,598 -0.005,599 0.01,600 0.03,601 0.041,602 0.025,603 0.003,604 0.019,605 0.091,606 0.011,607 -0.102,608 -0.025,609 -0.086,610 -0.04,611 -0.053,612 -0.058,613 -0.011,614 -0.063,615 0.005,616 -0.038,617 0.012,618 -0.018,619 0.007,620 -0.016,621 0.055,622 0.019,623 -0.033,624 0.037,625 -0.069,626 0.013,627 -0.054,628 -0.028,629 -0.085,630 -0.037,631 0.035,632 -0.092,633 -0.031,634 -0.087,635 0.001,636 -0.068,637 -0.164,638 0.039,639 -0.177,640 -0.069,641 -0.178,642 -0.116,643 1.613,644 5.674,645 0.682,646 64.653,647 0.987,648 1.132,649 3.072,650 9.44,651 0.641,652 3.912,653 4.234,654 4.5,655 4.779,656 5.011,657 5.118,658 5.268,659 5.398,660 5.416,661 5.434,662 12.017,663 0.594,664 596.9,665 3.912,666 5.46,667 6.308,668 7.185,669 8.052,670 8.937,671 9.815,672 10.704,673 11.59,674 12.483,675 6.5,678 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,714 92,716 22,717 2,718 49,720 97,721 36,722 16,723 6,724 6,730 6,731 8,740 4,741 2,743 10,745 18,746 18,747 2,750 2,755 2,759 2,764 48,765 6,766 4,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,805 2,815 2,819 4,823 2,827 44,833 14,834 2,837 2,838 2,847 2.2,850 2,854 21.667,855 16.567,856 9.583,857 6.064,858 3.933,859 1.429,860 1,861 10.176,862 13.092,863 4.127,864 4.696,865 5.264,866 5.883,867 6.387,868 6.763,869 7.185,870 7.567,871 7.566,872 7.751,873 0.929,874 67,875 16.427,877 7.025,878 7.508,879 32.68,881 28.041,883 2.008,884 88.333,888 517.928,889 156.241,890 75.841,892 50.29,895 156.241,896 568.218,897 75.841,898 16.793,899 69.79,900 74.952,901 59.699,902 56.85,903 27.83,904 494.386,906 517.928,907 232.083,908 50.29,911 423.76,912 144.459,915 109.609,916 122.473,919 517.928,920 126.131,921 156.241,924 517.928,925 64.496,926 97.994,927 69.593,928 50.29,929 517.928,930 126.131,931 156.241,933 0.58,934 0.33,935 0.178,936 0.1,937 32,938 14,939 0.113,940 11,941 2,942 1.133,943 5.622,944 431.044,945 0.133,946 30,947 188.215,951 31.039,952 14.426,953 7.831,954 4.703,955 92.56,956 16.658,958 6.833,961 4.472,963 69.593,964 800.301,965 61,970 25.347,974 0.108,975 90.821,976 104.128,977 0.214,978 0.514,979 0.688,980 0.744,981 0.744,982 0.744,983 5.38,984 2.181,985 6.282,986 6.012,987 4.92,988 5.384,989 2.709,990 7.074,991 4.876,992 6.559,993 2.014,994 7.824,995 6.012,996 4.443,997 5.215,998 2.262,999 7.928,1000 4.386,1001 7.855,1002 1.975,1003 9.465,1004 5.422,1005 6.494,1006 7.568,1007 3.595,1008 11.038,1009 6.413,1010 9.187,1011 1.637,1012 11.165,1013 5.401,1014 6.847,1015 8.303,1016 3.716,1017 12.778,1018 6.76,1019 10.556,1020 1.502,1021 12.907,1022 4.353,1023 8.347,1024 10.14,1025 4.727,1026 15.407,1027 8.24,1028 11.952,1029 1.502,1030 14.679,1031 4.352,1032 9.101,1033 11.302,1034 5.099,1035 17.528,1036 8.991,1037 13.371,1038 1.159,1039 16.475,1040 3.423,1041 10.377,1042 12.941,1043 5.942,1044 19.999,1045 10.251,1046 3.173,1047 1.142,1048 18.289,1049 3.041,1050 11.331,1051 14.299,1052 6.442,1053 22.279,1054 11.203,1055 3.173,1056 10.946,1057 20.119,1058 3.019,1059 12.517,1060 15.859,1061 7.194,1062 24.697,1063 12.376,1064 2.644,1065 10.946,1066 21.962,1067 4.52,1068 13.571,1069 17.304,1070 7.761,1071 27.043,1072 13.425,1073 2.643,1074 7.948,1075 23.815,1076 4.52,1077 14.725,1078 18.832,1079 8.464,1080 29.444,1081 14.568,1082 2.473,1083 7.948,1084 25.677,1085 3.237,1086 15.826,1087 20.313,1088 9.067,1089 31.817,1090 15.663,1091 2.467,1092 7.112,1093 27.547,1094 3.237,1095 16.971,1096 21.829,1097 9.744,1098 34.211,1099 16.797,1100 2.19,1101 7.111,1102 29.422,1103 2.894,1104 18.096,1105 23.326,1106 10.367,1107 36.596,1108 17.915,1109 42404,1110 59350,1111 33.402,1112 58.933,1113 73.287,1114 74.657,1115 74.835,1116 72.886,1117 72.874,1118 90.396,1119 11.424,1120 206.985,1121 71.251,1122 5.586,1123 5.592,1124 6.546,1125 5.2,1126 5.173,1127 7.52,1128 3.306,1129 18.076,1130 5.137,1131 19.527,1132 1.496,1133 1.524,1134 1.527,1135 1.487,1136 1.487,1137 1.845,1138 0.233,1139 4.224,1140 1.454,1141 4.171,1142 4.207,1143 4.124,1144 4.085,1145 7.431,1146 4.09,1147 4.124,1148 4.158,1149 4.084,1150 4.043,1151 7.427,1152 4.049,1153 3.817,1154 3.882,1155 3.7,1156 3.674,1157 4.981,1158 3.67,1159 3.808,1160 3.874,1161 3.69,1162 3.664,1163 4.949,1164 3.661,1165 3.796,1166 3.853,1167 3.665,1168 3.658,1169 4.384,1170 3.648,1171 3.644,1172 3.694,1173 3.556,1174 3.452,1175 4.378,1176 3.465,1177 3.494,1178 3.557,1179 3.391,1180 3.313,1181 4.318,1182 3.326,1183 3.392,1184 3.455,1185 3.275,1186 3.25,1187 4.294,1188 3.249,1189 0.094,1190 0.073,1191 0.137,1192 0.085,1193 0.065,1194 4.586,1195 0.092,1196 3.592,1197 0.039,1198 6.719,1199 0.223,1200 4.161,1201 0.064,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.137,1207 1.966,1208 1.941,1209 2.085,1210 2.065,1211 1.443,1212 2.073,1213 1.965,1214 1.94,1215 2.084,1216 2.063,1217 1.443,1218 2.071,1219 1.829,1220 1.774,1221 2.029,1222 2.002,1223 1.375,1224 2.009,1225 1.824,1226 1.77,1227 1.985,1228 1.994,1229 1.151,1230 1.996,1231 1.774,1232 1.719,1233 1.972,1234 1.93,1235 1.139,1236 1.953,1237 1.566,1238 1.517,1239 1.795,1240 1.776,1241 1.083,1242 1.777,1243 1.463,1244 1.395,1245 1.665,1246 1.691,1247 0.825,1248 1.685,1249 1.462,1250 1.394,1251 1.664,1252 1.679,1253 0.825,1254 1.68,1255 4.595,1257 5.916,1258 3.045,1259 7.418,1260 5.416,1261 9.005,1262 7.535,1263 10.643,1265 4.375,1271 13.708,1272 6.211,1275 1.135,1276 4.782,1280 54.621,1281 128.462,1282 308.541,1283 413.148,1284 446.658,1285 446.658,1286 446.658,1287 83.996,1288 9.16,1289 96.26,1290 96.26,1291 34,1292 13.012,1293 4.524,1294 3.7,1295 66.955,1296 332,1297 275,1298 0.095,1299 331.219,1300 570.78,1301 799.934,1302 197762,1304 30.468,1305 0.692,1306 0.6,1307 30.468,1308 26.384,1309 21.424,1310 0.437,1311 0.339,1312 16.446,1313 20.792,1314 16.044,1315 13.288,1316 21.424,1317 16.616,1318 19.402,1319 0.285,1320 0.194,1321 19.402,1322 13.174,1323 16.102,1324 0.181,1325 0.111,1326 16.102,1327 9.869,1328 13.465,1329 0.114,1330 0.06,1331 13.465,1332 7.126,1333 10.992,1334 0.074,1335 0.035,1336 10.992,1337 5.224,1338 0.16,1339 132.816,1340 0.173,1341 40.409,1342 0.232,1343 234,1344 534.093,1345 249.475,1346 525.521,1347 727.42,1348 494,1349 274,1350 539.245,1351 289.312,1352 551.784,1353 803.74,1354 520,1355 9.046} {0 CHEMBL449406,1 1.438,2 10.769,3 3.903,4 15.231,5 103.94,6 6.97,7 0.552,8 4.001,9 4.135,10 3.523,11 3.553,12 5.025,13 3.518,14 4.558,15 4.751,16 3.886,17 3.971,18 5.529,19 3.91,20 4.819,21 5.037,22 3.915,23 4.119,24 5.76,25 4.016,26 4.923,27 5.187,28 3.819,29 4.074,30 5.837,31 3.944,32 4.8,33 5.067,34 3.755,35 3.929,36 5.74,37 3.821,38 4.65,39 4.895,40 3.652,41 3.831,42 5.641,43 3.743,44 4.541,45 4.777,46 3.608,47 3.795,48 5.501,49 3.69,50 4.54,51 4.794,52 3.442,53 3.724,54 5.467,55 3.605,56 0.043,57 0.756,58 11.039,59 4.467,60 7.549,61 6.305,62 0.211,63 1.239,64 20.57,65 7.606,66 19.622,67 11.015,68 0.203,69 1.51,70 27.326,71 10.222,72 30.731,73 14.75,74 0.312,75 1.548,76 31.798,77 11.031,78 45.793,79 16.314,80 0.27,81 1.379,82 28.275,83 9.341,84 40.476,85 13.902,86 0.37,87 1.233,88 24.351,89 7.284,90 40.611,91 10.762,92 0.189,93 1.111,94 20.996,95 7.587,96 27.022,97 11.143,98 0.274,99 1.073,100 21.67,101 7.127,102 32.192,103 10.438,104 10,105 41,106 0.242,107 0.606,108 0.797,109 0.849,110 0.849,111 0.849,112 3.304,113 0.946,114 -4.19,115 -4.13,116 -3.9,119 42,120 1,121 2,122 1,124 1,125 2,140 6,141 3,144 1,145 1,149 1,150 1,156 1,169 11,172 5,174 2,176 4,178 11,182 5,184 1,186 5,189 6,192 1,193 7,197 5,199 4,203 5,207 1,208 3,211 6,214 1,215 3,218 1,220 2,222 7,226 4,229 1,231 1,233 7,237 3,240 1,242 2,244 8,254 2,256 8,259 956,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 15.629,266 21.312,267 10.287,268 17.858,269 14.319,270 14.319,271 14.319,272 14.319,273 14.319,274 11.285,275 26.224,276 4.917,277 14.719,278 4.206,279 2.035,280 0.9,281 0.59,282 0.59,283 0.59,284 4.002,287 1,288 1,289 1,290 612,291 2.828,294 58.722,295 231.192,298 104.41,302 1.71,303 18.238,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 55,315 280,316 4.587,317 3.576,318 6.719,319 4.15,320 3.174,321 4.52,322 1.058,323 10.946,324 3.1,325 4.214,326 3.295,327 6.081,328 3.859,329 2.858,330 3.794,331 0.8,332 8.822,333 2.857,334 3.819,335 2.784,336 5.773,337 3.565,338 2.598,339 3.206,341 7.878,342 2.514,343 3.64,344 2.611,345 5.278,346 3.321,347 2.36,348 2.917,350 6.736,351 2.279,352 3.463,353 2.524,354 5.034,355 3.141,356 2.176,357 2.762,359 6.007,360 2.088,361 3.293,362 2.236,363 4.952,364 2.998,365 2.035,366 2.39,368 5.742,369 1.944,370 2.856,371 1.795,372 4.547,373 2.471,374 1.502,375 1.968,377 4.36,378 1.453,379 2.81,380 1.522,381 4.026,382 2.345,383 1.341,384 1.899,386 3.342,387 1.34,388 2.576,389 1.182,390 3.919,391 2.111,392 1.153,393 1.595,395 2.962,396 1.101,397 2.515,398 1.174,399 3.466,400 2.02,401 1.015,402 1.476,404 2.452,405 1.015,406 2.04,407 1.077,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 2,416 0.749,417 3.239,418 1.579,419 0.616,420 0.856,422 1.509,423 0.591,424 1.216,425 0.417,426 2.774,427 0.875,428 -0.093,429 -0.109,431 -0.224,432 -0.09,433 0.944,434 -0.024,435 2.486,436 0.665,437 -0.3,438 -0.349,440 -0.737,441 -0.288,442 0.842,443 -0.131,444 2.265,445 0.594,446 -0.408,447 -0.515,449 -0.911,450 -0.409,451 12.433,452 0.478,453 0.661,454 0.025,455 33,456 1.269,457 16,458 0.615,459 17,460 0.654,461 21.629,462 0.832,463 27.767,464 0.555,465 23.18,466 0.892,467 6.333,468 0.244,469 6.264,470 0.241,471 0.107,473 0.354,479 0.817,480 1.342,481 0.847,482 1.076,483 0.596,484 0.977,485 0.808,486 1.053,487 0.884,488 0.937,489 0.51,490 0.913,491 0.917,492 1.188,493 1.045,494 1.161,495 0.81,496 1.123,497 0.978,498 1.028,499 0.954,500 0.996,501 0.988,502 0.975,503 1.126,504 1.039,505 0.893,506 0.938,507 1.117,508 0.896,509 1.774,510 0.814,511 1.174,512 0.801,513 1.767,514 0.896,515 0.814,516 1.141,517 0.946,518 1.078,519 0.763,520 1.031,521 1.434,522 0.808,523 1.146,524 0.884,525 1.449,526 0.962,527 5.5,528 0.103,529 3.111,530 1.632,531 1.463,532 0.671,533 0.496,534 0.435,535 0.272,536 0.161,537 8334,538 17902,539 2.124,540 48,541 4,542 13,543 1,545 2,547 4,550 1.69,551 2,552 3.423,553 0.213,555 1,559 71.915,560 1.438,561 3.609,562 4.743,563 5.054,564 5.054,565 5.054,566 2.921,567 4.104,568 4.672,569 3.556,570 1155.62,571 8.091,572 14385.2,574 1,576 1,577 282.193,578 1.37,579 4.637,580 0.19,581 0.006,582 0.076,583 0.041,584 0.042,585 0.02,586 0.017,587 0.015,588 0.011,589 0.008,590 0.425,591 0.5,592 1,593 0.54,594 127.363,595 -0.029,596 -0.139,597 0.058,598 -0.017,599 -0.024,600 0.022,601 0.088,602 0.075,603 0.062,604 0.069,605 0.118,606 0.064,607 -0.02,608 -0.144,609 -0.092,610 -0.157,611 0.032,612 -0.137,613 0.038,614 -0.07,615 0.036,616 -0.026,617 0.068,618 0.001,619 0.021,620 -0.07,621 0.114,622 0.011,623 0.058,624 0.064,625 -0.24,626 0.248,627 -0.142,628 0.108,629 -0.235,630 0.013,631 0.099,632 -0.126,633 0.02,634 -0.087,635 0.086,636 -0.048,637 -0.197,638 0.204,639 -0.142,640 0.062,641 -0.191,642 -0.015,643 1.795,644 5.499,645 0.808,646 22.923,647 0.991,648 1.127,649 2.956,650 8.739,651 0.662,652 3.401,653 3.738,654 4.007,655 4.277,656 4.511,657 4.564,658 4.71,659 4.836,660 4.913,661 4.977,662 6.336,663 0.621,664 348.49,665 3.401,666 4.949,667 5.802,668 6.683,669 7.554,670 8.44,671 9.319,672 10.207,673 11.091,674 11.982,675 8,678 1,682 1,683 1,685 1,687 2,688 7,689 1,690 1,693 4,695 16,702 1,714 50,716 17,717 1,718 29,720 53,721 21,722 13,723 2,724 4,725 1,730 4,731 5,736 1,740 2,741 1,743 2,745 14,746 7,747 1,750 1,755 1,759 1,761 1,764 24,765 4,766 2,767 5,773 4,777 0.75,778 1,786 1,788 1,792 1,793 3,796 1,815 1,819 3,823 2,827 26,833 4,834 1,837 1,838 1,847 2,850 1,854 13,855 9.483,856 5.611,857 3.083,858 3.028,859 1.4,860 1.009,861 4.686,862 10.593,863 3.664,864 4.273,865 4.867,866 5.466,867 5.98,868 6.259,869 6.668,870 7.039,871 7.204,872 7.533,873 1,874 40,875 9.641,877 4.116,878 7.577,879 18.845,881 15.859,883 2.077,884 54,886 1,887 1,888 258.964,889 113.285,890 54.706,892 25.145,895 113.285,896 284.109,897 54.706,898 17.222,899 27.291,900 65.905,901 46.635,902 31.611,903 16.243,904 247.193,906 258.964,907 167.991,908 25.145,911 211.88,912 72.229,915 58.17,916 93.035,917 16.786,919 258.964,920 79.851,921 113.285,924 258.964,925 30.158,926 86.251,927 34.796,928 41.93,929 258.964,930 79.851,931 113.285,933 0.587,934 0.339,935 0.181,936 0.102,937 21,938 9,939 0.057,940 3,941 1,942 1.095,943 3.843,944 221.799,945 0.095,946 21,947 116.211,951 17.107,952 7.122,953 3.638,954 1.995,955 63.066,956 13.507,957 4.741,958 3.328,961 3.574,963 34.796,964 452.1,965 38,970 12.499,974 -0.128,975 49.571,976 56.355,977 0.255,978 0.639,979 0.84,980 0.895,981 0.895,982 0.895,983 4.905,984 1.341,985 5.79,986 4.36,987 4.419,988 4.959,989 1.435,990 6.594,991 4.368,992 6.109,993 1.153,994 7.344,995 3.342,996 4.007,997 4.783,998 0.325,999 7.466,1000 3.942,1001 7.415,1002 1.015,1003 8.995,1004 2.962,1005 6.009,1006 7.172,1007 1.379,1008 10.563,1009 5.914,1010 8.756,1011 1,1012 10.702,1013 2.452,1014 6.399,1015 7.849,1016 0.268,1017 12.282,1018 6.296,1019 10.129,1020 0.616,1021 12.447,1022 2.275,1023 7.876,1024 9.719,1025 1.406,1026 14.9,1027 7.746,1028 11.527,1029 -0.093,1030 14.219,1031 1.509,1032 8.643,1033 10.813,1034 0.188,1035 16.989,1036 8.506,1037 12.944,1038 -0.3,1039 16.012,1040 -0.224,1041 9.906,1042 12.466,1043 1.462,1044 19.445,1045 9.745,1046 3.174,1047 -0.408,1048 17.822,1049 -0.737,1050 10.859,1051 13.769,1052 0.125,1053 21.7,1054 10.686,1055 2.858,1056 10.946,1057 19.645,1058 -0.911,1059 12.034,1060 15.329,1061 1.533,1062 24.103,1063 11.84,1064 2.598,1065 8.822,1066 21.479,1067 4.52,1068 13.079,1069 16.735,1070 0.082,1071 26.43,1072 12.869,1073 2.36,1074 7.878,1075 23.323,1076 3.794,1077 14.223,1078 18.257,1079 1.613,1080 28.818,1081 13.991,1082 2.176,1083 6.736,1084 25.174,1085 3.206,1086 15.313,1087 19.713,1088 0.054,1089 31.178,1090 15.062,1091 2.035,1092 6.007,1093 27.032,1094 2.917,1095 16.447,1096 21.221,1097 1.698,1098 33.564,1099 16.174,1100 1.502,1101 5.742,1102 28.896,1103 2.762,1104 17.561,1105 22.7,1106 0.035,1107 35.939,1108 17.267,1109 7874,1110 11685,1111 19.592,1112 33.091,1113 44.178,1114 44.718,1115 45.035,1116 43.667,1117 43.656,1118 56.767,1119 3.717,1120 126.066,1121 42.533,1122 5.587,1123 5.576,1124 6.271,1125 5.211,1126 5.174,1127 7.52,1128 2.117,1129 18.077,1130 5.1,1131 11.492,1132 1.523,1133 1.542,1134 1.553,1135 1.506,1136 1.505,1137 1.957,1138 0.128,1139 4.347,1140 1.467,1141 4.134,1142 4.175,1143 4.095,1144 4.02,1145 7.429,1146 4.034,1147 3.934,1148 3.96,1149 3.876,1150 3.872,1151 5.04,1152 3.869,1153 3.806,1154 3.874,1155 3.685,1156 3.653,1157 4.715,1158 3.652,1159 3.495,1160 3.554,1161 3.425,1162 3.305,1163 4.422,1164 3.324,1165 3.281,1166 3.346,1167 3.171,1168 3.115,1169 4.319,1170 3.119,1171 3.177,1172 3.265,1173 3,1174 2.972,1175 3.914,1176 2.964,1177 3.111,1178 3.206,1179 2.899,1180 2.941,1181 3.886,1182 2.91,1183 3.076,1184 3.142,1185 2.866,1186 2.9,1187 3.712,1188 2.893,1189 0.158,1190 0.123,1191 0.232,1192 0.143,1193 0.109,1194 4.587,1195 0.156,1196 3.576,1197 0.036,1198 6.719,1199 0.377,1200 4.15,1201 0.107,1202 3.174,1203 4.52,1204 1.058,1205 10.946,1206 3.1,1207 1.941,1208 1.914,1209 2.069,1210 2.062,1211 1.436,1212 2.063,1213 1.904,1214 1.87,1215 2.043,1216 2.017,1217 1.143,1218 2.026,1219 1.803,1220 1.751,1221 1.922,1222 1.962,1223 1.022,1224 1.959,1225 1.453,1226 1.385,1227 1.659,1228 1.686,1229 0.825,1230 1.678,1231 1.306,1232 1.259,1233 1.561,1234 1.548,1235 0.808,1236 1.542,1237 1.175,1238 1.087,1239 1.513,1240 1.423,1241 0.622,1242 1.459,1243 1.153,1244 1.064,1245 1.49,1246 1.376,1247 0.558,1248 1.429,1249 1.098,1250 1.021,1251 1.322,1252 1.333,1253 0.375,1254 1.349,1255 4.078,1257 5.407,1258 2.398,1259 6.927,1260 4.727,1261 8.53,1262 6.843,1263 10.177,1265 4.15,1271 4.512,1272 2.932,1275 0.523,1276 2.367,1280 31.068,1281 71.915,1282 180.428,1283 237.173,1284 252.683,1285 252.683,1286 252.683,1287 37.974,1288 7.564,1289 61.02,1290 61.02,1291 23,1292 12.512,1293 4.17,1294 3.322,1295 38.085,1296 100,1297 97,1298 0.189,1299 190.39,1300 321.39,1301 456.312,1302 20221,1304 18.096,1305 0.696,1306 0.587,1307 18.096,1308 15.25,1309 12.597,1310 0.434,1311 0.315,1312 9.046,1313 12.228,1314 8.765,1315 7.298,1316 12.597,1317 9.146,1318 11.609,1319 0.283,1320 0.177,1321 11.609,1322 7.238,1323 9.73,1324 0.18,1325 0.097,1326 9.73,1327 5.232,1328 8.092,1329 0.114,1330 0.052,1331 8.092,1332 3.695,1333 6.672,1334 0.074,1335 0.029,1336 6.672,1337 2.642,1338 0.296,1339 78.129,1340 0.226,1341 25.125,1342 0.517,1343 140,1344 343.691,1345 149.847,1346 340.92,1347 474.7,1348 320,1349 165,1350 356.439,1351 175.514,1352 366.332,1353 534.92,1354 344,1355 6.31} {0 CHEMBL450281,1 1.514,2 5.769,3 1.079,4 1.164,5 50.763,6 7.05,7 0.429,8 3.322,9 3.449,10 2.836,11 2.843,12 4.413,13 2.82,14 3.819,15 4.004,16 3.122,17 3.195,18 4.871,19 3.138,20 4.01,21 4.251,22 2.891,23 3.186,24 4.973,25 3.067,26 3.846,27 4.104,28 2.733,29 2.988,30 4.736,31 2.853,32 3.738,33 4.007,34 2.626,35 2.817,36 4.69,37 2.715,38 3.522,39 3.769,40 2.488,41 2.667,42 4.58,43 2.542,44 3.388,45 3.677,46 1.968,47 2.354,48 4.258,49 2.19,50 2.937,51 3.229,52 0.772,53 1.724,54 3.807,55 1.453,56 0.031,57 0.367,58 5.544,59 2.205,60 5.611,61 3.025,62 0.077,63 0.576,64 9.656,65 3.554,66 11.059,67 5.085,68 0.149,69 0.606,70 12.594,71 4.08,72 20.644,73 6.007,74 0.065,75 0.493,76 10.658,77 3.86,78 14.057,79 5.66,80 0.133,81 0.437,82 9.935,83 2.909,84 18.731,85 4.415,86 0.15,87 0.361,88 7.701,89 2.55,90 17.358,91 3.864,92 0.086,93 0.272,94 7.058,95 2.157,96 12.04,97 3.213,98 0.094,99 0.139,100 4.678,101 1.405,102 14.899,103 1.967,104 2,105 18,106 0.309,107 0.69,108 0.832,109 0.897,110 0.897,111 0.897,112 2.666,113 0.942,114 -2.66,115 -2.68,116 -2.6,119 40,121 1,125 2,140 4,141 1,142 1,156 1,169 5,172 1,174 1,176 3,178 6,182 1,186 3,189 3,193 2,197 4,199 1,203 1,208 1,215 1,218 1,219 1,220 1,259 141,260 8.861,261 8.861,262 8.861,263 8.861,264 8.861,265 7.801,266 11.791,267 5.489,268 9.038,269 6.949,270 6.949,271 6.949,272 6.949,273 6.949,274 5.411,275 14.354,276 2.659,277 7.243,278 3.13,279 1.26,280 0.56,281 0.24,282 0.24,283 0.24,284 3.308,288 1,289 1,290 158,291 1.581,294 33.667,295 40.128,302 0.899,303 10.408,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 28,315 75,316 4.093,317 3.22,318 5.644,319 3.712,320 2.738,321 3.668,322 1.505,323 7.881,324 2.672,325 3.802,326 2.747,327 5.221,328 3.37,329 2.428,330 3.097,331 0.368,332 6.622,333 2.279,334 3.239,335 2.233,336 4.675,337 2.859,338 1.898,339 2.473,340 0.265,341 5.106,342 1.815,343 2.667,344 1.457,345 3.497,346 2.219,347 1.236,348 1.742,350 2.677,351 1.213,352 2.228,353 1.22,354 3.394,355 2.075,356 1.1,357 1.198,359 2.447,360 1.07,361 1.766,362 1.087,363 3,364 1.518,365 0.618,366 0.665,368 1.372,369 0.556,370 1.137,371 0.231,372 2.662,373 0.845,374 -0.138,375 -0.166,377 -0.367,378 -0.136,379 0.877,380 -0.057,381 2,382 0.497,383 -0.428,384 -0.528,386 -0.989,387 -0.389,388 0.441,389 -0.683,390 1.8,391 0.051,392 -0.941,393 -1.164,395 -2.421,396 -0.932,397 -0.087,398 -1.054,399 1.233,400 -0.41,401 -1.352,402 -1.673,404 -3.35,405 -1.277,406 -0.301,407 -1.16,408 1.044,409 -0.62,410 -1.577,411 -1.819,413 -3.598,414 -1.456,415 -0.469,416 -1.362,417 1,418 -0.718,419 -1.618,420 -2.084,421 -0.199,422 -4.372,423 -1.508,424 -0.5,425 -1.558,426 0.446,427 -0.999,428 -1.966,429 -2.41,430 -0.795,431 -5.325,432 -1.909,433 -0.891,434 -2,435 0.384,436 -1,437 -2,438 -3,439 -1.145,440 -5.684,441 -2,451 6.133,452 0.472,453 0.243,454 0.019,455 16.25,456 1.25,457 8,458 0.615,459 8.25,460 0.635,461 7.373,462 0.567,463 14.267,464 0.571,465 8.753,466 0.673,467 3.389,468 0.261,469 2.954,470 0.227,471 0.054,473 0.245,479 1.02,480 1.265,481 0.877,482 1.029,483 0.984,484 0.947,485 0.784,486 1.16,487 0.958,488 1.109,489 0.621,490 1.056,491 1.191,492 0.941,493 1.206,494 1.027,495 1.088,496 1.092,497 0.693,498 1.172,499 0.87,500 1.148,501 0.707,502 1.061,503 1.305,504 0.907,505 0.964,506 0.784,507 1.284,508 0.817,509 0.469,510 1.076,511 0.967,512 1.123,513 0.545,514 1.12,515 1.229,516 0.815,517 1.088,518 0.98,519 1.31,520 1.003,521 2.084,522 0.768,523 1.446,524 0.965,525 2.584,526 1.139,527 2.5,529 0.667,530 0.722,531 0.297,532 0.167,533 0.121,534 0.056,537 1137,538 2939,539 2.082,540 48,542 8,545 2,546 2,550 1.479,551 2,552 2.645,553 0.53,557 1,559 37.858,560 1.514,561 3.383,562 4.084,563 4.404,564 4.404,565 4.404,566 1.95,567 3.181,568 3.678,569 2.699,570 210.521,571 6.069,572 1571.76,574 1,577 116.096,578 1.14,579 3.655,580 0.179,582 0.037,583 0.056,584 0.027,585 0.017,586 0.015,587 0.014,590 0.344,591 1,592 1,593 0.569,594 47.703,595 -0.129,596 -0.067,597 0.009,598 0.049,599 -0.126,600 0.047,602 -0.026,603 -0.054,604 -0.1,605 0.036,606 -0.087,607 -0.219,608 0.062,609 -0.255,610 -0.082,611 -0.162,612 -0.152,613 0.061,614 -0.279,615 0.069,616 -0.159,617 0.09,618 -0.065,619 -0.164,620 0.017,621 0.038,622 0.125,623 -0.148,624 0.112,625 0.417,626 -0.109,627 -0.014,628 -0.179,629 0.281,630 -0.168,631 -0.115,632 0.031,633 -0.086,634 -0.078,635 -0.137,636 -0.068,637 -0.391,638 -0.099,639 -0.382,640 -0.068,641 -0.475,642 -0.22,643 1.351,644 3.227,645 0.846,646 5.858,647 0.998,648 1.131,649 1.426,650 2.034,651 0.651,652 2.708,653 2.944,654 3.091,655 3.296,656 3.258,657 3.178,658 3.091,659 3.045,660 2.833,661 2.398,662 3.777,663 0.616,664 176.24,665 2.708,666 4.174,667 4.963,668 5.79,669 6.592,670 7.424,671 8.229,672 9.062,673 9.869,674 10.702,675 8,677 1,684 1,688 4,693 2,695 6,711 1,714 25,716 7,717 1,718 14,720 26,721 10,722 6,723 2,724 4,730 2,731 2,743 1,745 7,746 3,750 1,758 1,759 1,764 12,765 3,766 2,767 3,773 2,774 1,777 1,778 1,792 1,793 1,814 1,819 2,827 13,832 1,833 3,834 1,847 4,849 1,854 6.5,855 4.233,856 2.917,857 1.443,858 1.421,859 1.265,860 0.939,861 2.387,862 6.787,863 2.944,864 3.45,865 3.855,866 4.326,867 4.647,868 4.596,869 4.616,870 4.888,871 4.78,872 4.523,873 0.75,874 13,875 4.783,876 -0.003,877 1.962,878 7.731,879 9.22,880 -0.001,881 7.364,882 0.001,883 2.231,884 29,885 0.009,888 117.711,889 50.164,890 34.796,892 42.683,895 50.164,896 160.394,897 34.796,899 6.746,900 55.916,901 45.011,902 19.971,904 117.711,906 117.711,907 84.961,908 42.683,911 117.711,912 42.683,915 41.542,916 43.418,919 117.711,920 77.48,921 50.164,924 117.711,925 12.259,926 37.905,927 18.011,928 59.469,929 117.711,930 77.48,931 50.164,933 0.562,934 0.304,935 0.165,936 0.073,937 9,938 3,939 0.077,940 2,942 1,943 2.641,944 74.823,946 11,947 48.106,951 8.418,952 3.687,953 2.142,955 77.48,956 7.276,961 1.407,963 60.694,964 245.355,965 18,973 4.285,974 1.019,975 24.949,976 28.282,977 0.326,978 0.729,979 0.879,980 0.948,981 0.948,982 0.948,983 4.119,984 -0.428,985 4.89,986 -0.367,987 3.611,988 4.127,989 1.696,990 5.557,991 3.534,992 5.274,993 -0.941,994 6.347,995 -0.989,996 2.944,997 3.689,998 0.904,999 6.071,1000 2.813,1001 6.534,1002 -1.352,1003 7.894,1004 -2.421,1005 5.056,1006 6.168,1007 2.113,1008 9.115,1009 4.911,1010 7.827,1011 -1.577,1012 9.492,1013 -3.35,1014 5.198,1015 6.496,1016 1.864,1017 10.432,1018 4.989,1019 9.147,1020 -1.618,1021 11.121,1022 -3.598,1023 6.735,1024 8.444,1025 2.717,1026 12.923,1027 6.528,1028 10.484,1029 -1.966,1030 12.771,1031 -4.372,1032 7.274,1033 9.143,1034 2.755,1035 14.596,1036 7.008,1037 11.833,1038 -2,1039 14.436,1040 -5.325,1041 8.54,1042 10.839,1043 3.416,1044 16.858,1045 8.279,1046 2.738,1048 16.111,1049 -5.684,1050 9.287,1051 11.748,1052 3.615,1053 18.712,1054 8.974,1055 2.428,1056 7.881,1057 17.793,1059 10.42,1060 13.303,1061 4.169,1062 20.868,1063 10.107,1064 1.898,1065 6.622,1066 19.481,1067 3.668,1068 11.278,1069 14.342,1070 4.458,1071 22.817,1072 10.923,1073 1.236,1074 5.106,1075 21.175,1076 3.097,1077 12.344,1078 15.809,1079 4.951,1080 24.922,1081 11.983,1082 1.1,1083 2.677,1084 22.871,1085 2.473,1086 13.263,1087 16.934,1088 5.291,1089 26.922,1090 12.869,1091 0.618,1092 2.447,1093 24.572,1094 1.742,1095 14.295,1096 18.344,1097 5.749,1098 29.002,1099 13.89,1100 -0.138,1101 1.372,1102 26.275,1103 1.198,1104 15.249,1105 19.525,1106 6.119,1107 31.03,1108 14.815,1109 1158,1110 1910,1111 9.534,1112 16.273,1113 20.158,1114 20.224,1115 20.186,1116 20.022,1117 20.038,1118 25.688,1119 4.277,1120 52.213,1121 19.211,1122 4.983,1123 5.22,1124 5.26,1125 4.712,1126 4.738,1127 6.668,1128 2.65,1129 13.565,1130 4.672,1131 3.929,1132 1.44,1133 1.445,1134 1.442,1135 1.43,1136 1.431,1137 1.835,1138 0.306,1139 3.729,1140 1.372,1141 3.948,1142 3.986,1143 3.882,1144 3.867,1145 6.471,1146 3.866,1147 3.74,1148 3.803,1149 3.65,1150 3.545,1151 4.763,1152 3.562,1153 3.154,1154 3.218,1155 2.998,1156 3.017,1157 4.57,1158 3.001,1159 2.926,1160 2.968,1161 2.789,1162 2.746,1163 3.72,1164 2.748,1165 2.626,1166 2.708,1167 2.461,1168 2.466,1169 3.518,1170 2.456,1171 2.551,1172 2.693,1173 2.297,1174 2.186,1175 3.407,1176 2.188,1177 2.188,1178 2.325,1179 1.887,1180 1.847,1181 3.203,1182 1.827,1183 2.167,1184 2.27,1185 1.831,1186 1.606,1187 2.716,1188 1.666,1189 0.292,1190 0.23,1191 0.403,1192 0.265,1193 0.196,1194 4.093,1195 0.262,1196 3.22,1197 0.108,1198 5.644,1199 0.563,1200 3.712,1201 0.191,1202 2.738,1203 3.668,1204 1.505,1205 7.881,1206 2.672,1207 1.908,1208 1.884,1209 2.022,1210 2,1211 1.166,1212 2.008,1213 1.448,1214 1.375,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.414,1220 1.344,1221 1.595,1222 1.64,1223 0.736,1224 1.627,1225 0.883,1226 0.84,1227 1.154,1228 1.16,1229 0.237,1230 1.148,1231 0.872,1232 0.798,1233 1.126,1234 1.104,1235 0.147,1236 1.126,1237 0.429,1238 0.306,1239 0.881,1240 0.734,1242 0.79,1243 0.025,1245 0.584,1246 0.578,1248 0.592,1251 0.581,1252 0.414,1254 0.489,1255 3.367,1257 4.615,1258 2.398,1259 6.038,1260 4.443,1261 7.542,1262 6.26,1263 9.087,1270 9.227,1271 2.594,1272 3.193,1280 15.392,1281 37.858,1282 84.587,1283 102.096,1284 110.096,1285 110.096,1286 110.096,1287 13.785,1288 5.366,1289 44.62,1290 44.62,1291 11,1292 11.279,1293 3,1294 2.322,1295 19.256,1296 29,1297 21,1298 0.338,1299 97.782,1300 166.17,1301 230.349,1302 1097,1304 9.096,1305 0.7,1306 0.563,1307 9.096,1308 7.325,1309 6.343,1310 0.453,1311 0.314,1312 4.342,1313 6.132,1314 4.255,1315 3.522,1316 6.343,1317 4.395,1318 5.524,1319 0.307,1320 0.172,1321 5.524,1322 3.102,1323 4.186,1324 0.199,1325 0.096,1326 4.186,1327 2.026,1328 3.491,1329 0.134,1330 0.055,1331 3.491,1332 1.425,1333 2.157,1334 0.086,1335 0.031,1336 2.157,1337 0.768,1338 0.509,1339 39.546,1340 0.324,1341 13.3,1342 0.97,1343 64,1344 176.128,1345 69.601,1346 172.845,1347 233.41,1348 162,1349 71,1350 166.833,1351 76.019,1352 169.694,1353 242.27,1354 160,1355 5} {0 CHEMBL450852,1 1.513,2 25.296,3 7.896,4 62.353,5 211.011,6 7.418,7 0.525,8 4.681,9 4.805,10 4.247,11 4.255,12 5.752,13 4.229,14 5.243,15 5.412,16 4.624,17 4.689,18 6.298,19 4.637,20 5.562,21 5.78,22 4.677,23 4.857,24 6.559,25 4.765,26 5.654,27 5.898,28 4.601,29 4.857,30 6.602,31 4.736,32 5.63,33 5.892,34 4.55,35 4.801,36 6.524,37 4.676,38 5.546,39 5.79,40 4.555,41 4.769,42 6.578,43 4.65,44 5.553,45 5.814,46 4.506,47 4.749,48 6.43,49 4.626,50 5.521,51 5.774,52 4.481,53 4.722,54 6.431,55 4.605,56 0.039,57 1.569,58 19.841,59 9.052,60 11.778,61 11.768,62 0.272,63 2.627,64 37.807,65 15.622,66 38.24,67 20.892,68 0.42,69 3.37,70 56.813,71 22.31,72 80.791,73 30.012,74 0.529,75 3.436,76 64.903,77 24.538,78 100.824,79 33.858,80 0.636,81 3.216,82 64.931,83 23.814,84 95.327,85 33.643,86 0.878,87 3.139,88 58.065,89 21.588,90 138.299,91 30.61,92 0.568,93 3.092,94 59.472,95 21.822,96 79.734,97 31.11,98 0.567,99 3.017,100 57.404,101 21.098,102 84.263,103 29.424,104 17,105 86,106 0.218,107 0.537,108 0.673,109 0.719,110 0.719,111 0.719,112 4.009,113 0.925,114 -5.88,115 -5.74,116 -5.35,119 44.9,121 4,122 2,125 6,134 2,140 14,141 6,142 4,149 2,150 2,156 2,169 21,172 8,174 2,176 12,178 22,182 8,186 14,189 16,193 10,197 10,199 16,202 1,203 6,207 2,208 2,211 24,215 4,218 2,220 4,222 26,226 8,229 2,231 2,233 18,237 8,240 2,242 6,244 16,249 2,254 6,256 20,259 8084,260 37.065,261 37.065,262 37.065,263 37.065,264 37.065,265 32.86,266 44.457,267 21.689,268 37.595,269 30.122,270 30.122,271 30.122,272 30.122,273 30.122,274 23.741,275 54.818,276 10.366,277 30.993,278 5.101,279 2.882,280 1.932,281 1.612,282 1.612,283 1.612,284 4.733,290 3064,291 4.472,294 309.319,295 1181.64,298 561.092,302 3.715,303 53.558,306 0.5,307 0.33,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.65,314 116,315 1366,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.297,336 6.057,337 3.838,338 2.84,339 3.763,340 0.916,341 8.719,342 2.83,343 4.193,344 3.297,345 6.057,346 3.838,347 2.84,348 3.763,349 0.916,350 8.719,351 2.83,352 3.826,353 2.909,354 5.778,355 3.599,356 2.635,357 3.215,358 0.172,359 7.906,360 2.549,361 3.823,362 2.886,363 5.778,364 3.587,365 2.62,366 3.215,367 0.172,368 7.904,369 2.543,370 3.685,371 2.883,372 5.332,373 3.359,374 2.408,375 2.976,377 6.91,378 2.28,379 3.674,380 2.859,381 5.316,382 3.338,383 2.391,384 2.975,386 6.873,387 2.256,388 3.548,389 2.602,390 5.249,391 3.225,392 2.269,393 2.807,395 6.599,396 2.151,397 3.515,398 2.581,399 5.246,400 3.198,401 2.247,402 2.801,404 6.588,405 2.119,406 3.427,407 2.264,408 4.997,409 3.056,410 2.093,411 2.601,413 5.926,414 2.004,415 3.359,416 2.254,417 4.997,418 3.044,419 2.084,420 2.465,422 5.926,423 1.989,424 3.011,425 1.961,426 4.585,427 2.587,428 1.597,429 2.103,431 4.462,432 1.579,433 2.876,434 1.961,435 4.581,436 2.51,437 1.524,438 1.991,440 4.442,441 1.502,442 2.815,443 1.847,444 4.067,445 2.358,446 1.377,447 1.869,449 3.433,450 1.348,451 25.638,452 0.475,453 1.245,454 0.023,455 68,456 1.259,457 33,458 0.611,459 35,460 0.648,461 55.976,462 1.037,463 57.162,464 0.583,465 59.651,466 1.105,467 13.267,468 0.246,469 13.09,470 0.242,471 0.048,473 0.343,477 2,479 0.651,480 1.098,481 0.772,482 0.998,483 0.508,484 0.918,485 0.696,486 1.06,487 0.907,488 1.035,489 0.494,490 1.005,491 0.888,492 1.037,493 1.017,494 1.075,495 0.757,496 1.066,497 0.828,498 0.946,499 1.021,500 1.067,501 0.77,502 1.073,503 0.687,504 0.766,505 0.895,506 0.915,507 0.679,508 0.935,509 0.511,510 0.823,511 0.95,512 1.01,513 0.423,514 1.043,515 0.623,516 0.839,517 0.901,518 0.939,519 0.503,520 0.954,521 0.781,522 0.822,523 0.958,524 0.929,525 0.681,526 0.961,527 10.5,528 0.338,529 6.444,530 2.889,531 2.766,532 1.633,533 1.028,534 1.019,535 0.655,536 0.364,537 83807,538 217246,539 2.175,540 44.9,541 2,542 28,543 2,545 4,547 8,550 1.86,551 2.077,552 4.562,553 1.203,559 148.302,560 1.513,561 3.732,562 4.683,563 5.002,564 5.002,565 5.002,566 3.986,567 4.459,568 5.727,569 4.773,570 6829.64,571 10.153,572 171249,577 648.242,578 1.254,579 5.705,580 0.172,581 0.006,582 0.075,583 0.033,584 0.035,585 0.022,586 0.014,587 0.014,588 0.009,589 0.006,590 0.386,592 0.63,593 0.385,594 346.581,595 -0.037,596 -0.054,597 0.046,598 0.022,599 -0.015,600 0.044,601 0.005,602 -0.051,603 -0.031,604 -0.042,605 0.066,606 -0.041,607 -0.068,608 -0.067,609 -0.075,610 -0.079,611 0.016,612 -0.076,613 -0.05,614 -0.071,615 -0.056,616 -0.082,617 -0.007,618 -0.07,619 0.011,620 0.018,621 0.079,622 0.055,623 -0.004,624 0.072,625 0.189,626 0.044,627 0.005,628 -0.037,629 0.19,630 -0.046,631 0.035,632 0.009,633 0.065,634 0.033,635 0.04,636 0.052,637 -0.03,638 0.031,639 0.013,640 0.041,641 0.007,642 0.036,643 2.032,644 5.717,645 0.778,646 104.982,647 1,648 1.126,649 4.655,650 21.666,651 0.674,652 4.127,653 4.466,654 4.754,655 5.017,656 5.268,657 5.371,658 5.517,659 5.694,660 5.796,661 5.922,662 14.133,663 0.641,664 726.94,665 4.127,666 5.687,667 6.547,668 7.426,669 8.299,670 9.182,671 10.062,672 10.949,673 11.833,674 12.723,675 6.1,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 98,716 35,717 4,718 61,720 105,721 44,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 4,745 32,746 12,747 2,750 3,755 2,757 2,759 2,762 2,764 44,765 8,766 4,767 10,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,810 2,815 2,819 6,825 2,827 54,833 10,834 2,837 2,838 2,846 2,847 2,850 2,854 26,855 17.186,856 11.639,857 6.116,858 6.587,859 1.616,860 1.037,861 10.838,862 17.276,863 4.394,864 5.001,865 5.594,866 6.181,867 6.699,868 7.005,869 7.377,870 7.778,871 7.957,872 8.308,873 0.941,874 87,875 20.11,877 8.833,878 7.741,879 38.876,881 33.382,883 2.241,884 121,888 470.844,889 247.828,890 75.841,892 50.29,893 29.92,895 247.828,896 521.134,897 105.761,899 58.794,900 169.715,901 59.699,902 81.463,903 57.751,904 447.302,906 470.844,907 323.67,908 80.21,911 406.595,912 144.459,915 98.614,916 206.104,917 18.952,919 500.764,920 126.131,921 247.828,924 470.844,925 78.114,926 175.963,927 69.593,928 80.21,929 470.844,930 156.051,931 247.828,933 0.586,934 0.342,935 0.18,936 0.1,937 42,938 18,939 0.095,940 10,941 2,942 1.095,943 6.444,944 584.03,945 0.095,946 42,947 235.254,951 36.086,952 16.218,953 8.433,954 4.38,955 122.48,956 27.247,958 6.826,961 4.151,963 69.593,964 874.724,965 80,970 25.435,972 4.63,974 -0.514,975 97.963,976 110.392,977 0.229,978 0.564,979 0.708,980 0.756,981 0.756,982 0.756,983 5.645,984 2.391,985 6.526,986 6.91,987 5.153,988 5.69,989 2.139,990 7.327,991 5.102,992 6.845,993 2.269,994 8.077,995 6.873,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.148,1002 2.247,1003 9.724,1004 6.599,1005 6.744,1006 7.89,1007 2.071,1008 11.281,1009 6.653,1010 9.484,1011 2.093,1012 11.428,1013 6.588,1014 7.107,1015 8.546,1016 0.674,1017 12.996,1018 7.004,1019 10.853,1020 2.084,1021 13.17,1022 5.926,1023 8.604,1024 10.423,1025 2.083,1026 15.603,1027 8.488,1028 12.247,1029 1.597,1030 14.94,1031 5.926,1032 9.353,1033 11.505,1034 0.66,1035 17.689,1036 9.235,1037 13.66,1038 1.524,1039 16.73,1040 4.462,1041 10.623,1042 13.16,1043 2.127,1044 20.139,1045 10.494,1046 3.174,1047 1.377,1048 18.536,1049 4.442,1050 11.565,1051 14.457,1052 0.611,1053 22.391,1054 11.435,1055 3.174,1056 10.947,1057 20.356,1058 3.433,1059 12.742,1060 16.018,1061 2.19,1062 24.791,1063 12.602,1064 2.84,1065 10.947,1066 22.187,1067 4.52,1068 13.78,1069 17.421,1070 0.55,1071 27.118,1072 13.638,1073 2.84,1074 8.719,1075 24.028,1076 4.52,1077 14.923,1078 18.943,1079 2.264,1080 29.505,1081 14.772,1082 2.635,1083 8.719,1084 25.876,1085 3.763,1086 16.009,1087 20.398,1088 0.487,1089 31.866,1090 15.853,1091 2.62,1092 7.906,1093 27.732,1094 3.763,1095 17.142,1096 21.907,1097 2.346,1098 34.252,1099 16.977,1100 2.408,1101 7.904,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.427,1107 36.628,1108 18.082,1109 75564,1110 122041,1111 41.956,1112 66.046,1113 92.519,1114 94.601,1115 93.672,1116 91.805,1117 91.632,1118 118.927,1119 8.588,1120 263.831,1121 89.19,1122 5.587,1123 5.574,1124 6.404,1125 5.201,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 22.867,1132 1.517,1133 1.551,1134 1.536,1135 1.505,1136 1.502,1137 1.95,1138 0.141,1139 4.325,1140 1.462,1141 4.177,1142 4.213,1143 4.131,1144 4.091,1145 8.203,1146 4.096,1147 4.125,1148 4.158,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.926,1154 3.951,1155 3.881,1156 3.849,1157 7.431,1158 3.851,1159 3.913,1160 3.938,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.862,1166 3.925,1167 3.752,1168 3.718,1169 4.983,1170 3.718,1171 3.795,1172 3.859,1173 3.678,1174 3.657,1175 4.949,1176 3.653,1177 3.582,1178 3.634,1179 3.483,1180 3.481,1181 4.61,1182 3.47,1183 3.491,1184 3.547,1185 3.429,1186 3.306,1187 4.595,1188 3.325,1189 0.075,1190 0.059,1191 0.11,1192 0.068,1193 0.052,1194 4.587,1195 0.074,1196 3.574,1197 0.017,1198 6.719,1199 0.179,1200 4.163,1201 0.051,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.972,1208 1.947,1209 2.094,1210 2.075,1211 1.453,1212 2.084,1213 1.969,1214 1.945,1215 2.081,1216 2.065,1217 1.446,1218 2.07,1219 1.89,1220 1.865,1221 2.01,1222 2.024,1223 1.156,1224 2.023,1225 1.886,1226 1.863,1227 2.002,1228 2.005,1229 1.145,1230 2.008,1231 1.841,1232 1.791,1233 1.964,1234 1.96,1235 1.059,1236 1.962,1237 1.814,1238 1.762,1239 1.957,1240 1.955,1241 1.055,1242 1.957,1243 1.628,1244 1.578,1245 1.825,1246 1.779,1247 1.024,1248 1.796,1249 1.45,1250 1.385,1251 1.623,1252 1.676,1253 0.825,1254 1.664,1255 4.812,1257 6.146,1258 3.045,1259 7.665,1260 5.416,1261 9.265,1262 7.535,1263 10.908,1267 26.602,1271 10.372,1272 5.922,1275 0.902,1276 5.047,1280 62.861,1281 148.302,1282 365.772,1283 458.939,1284 490.242,1285 490.242,1286 490.242,1287 108.307,1288 10.689,1289 96.26,1290 96.26,1291 46,1292 13.253,1293 5.17,1294 4.322,1295 76.216,1296 475,1297 429,1298 0.076,1299 375.075,1300 656.32,1301 906.944,1302 1172440,1303 2,1304 37.02,1305 0.686,1306 0.557,1307 35.279,1308 30.085,1309 26.357,1310 0.432,1311 0.308,1312 18.606,1313 25.513,1314 18.283,1315 15.022,1316 25.569,1317 18.817,1318 24,1319 0.279,1320 0.169,1321 22.757,1322 14.552,1323 20.764,1324 0.181,1325 0.097,1326 19.943,1327 11.105,1328 17.146,1329 0.114,1330 0.053,1331 16.843,1332 8.025,1333 14.199,1334 0.074,1335 0.03,1336 13.776,1337 5.88,1338 0.128,1339 163.975,1340 0.154,1341 47.475,1342 0.185,1343 294,1344 844.315,1345 317.803,1346 777.546,1347 1058.22,1348 728,1349 348,1350 773.615,1351 370.796,1352 777.273,1353 1138.85,1354 735,1355 7.62} {0 CHEMBL451394,1 1.492,2 25.741,3 8.947,4 80.049,5 225.829,6 7.471,7 0.576,8 4.743,9 4.864,10 4.319,11 4.334,12 5.814,13 4.307,14 5.303,15 5.468,16 4.703,17 4.773,18 6.356,19 4.721,20 5.624,21 5.834,22 4.76,23 4.944,24 6.62,25 4.852,26 5.732,27 5.978,28 4.697,29 4.946,30 6.665,31 4.828,32 5.699,33 5.946,34 4.675,35 4.921,36 6.599,37 4.801,38 5.683,39 5.928,40 4.678,41 4.925,42 6.684,43 4.801,44 5.661,45 5.91,46 4.611,47 4.899,48 6.529,49 4.765,50 5.647,51 5.91,52 4.581,53 4.836,54 6.526,55 4.713,56 0.046,57 1.636,58 20.709,59 9.605,60 11.885,61 12.394,62 0.281,63 2.763,64 39.436,65 16.679,66 37.643,67 22.09,68 0.4,69 3.601,70 59.255,71 24.004,72 80.881,73 31.976,74 0.573,75 3.751,76 70.051,77 26.673,78 102.568,79 36.648,80 0.571,81 3.534,82 67.66,83 25.964,84 92.197,85 36.112,86 0.991,87 3.611,88 66.346,89 25.213,90 144.778,91 35.448,92 0.492,93 3.468,94 64.583,95 25.747,96 81.576,97 36.055,98 0.627,99 3.404,100 65.867,101 24.453,102 92.288,103 34.2,104 17,105 94,106 0.211,107 0.514,108 0.662,109 0.732,110 0.732,111 0.732,112 4.079,113 0.918,114 -6.39,115 -6.23,116 -5.78,119 46.2,121 4,122 2,125 6,140 18,141 8,142 4,149 2,150 2,156 2,169 26,172 8,174 2,176 12,178 28,182 10,186 14,189 19,193 14,197 10,199 16,203 8,207 2,208 2,211 28,214 1,215 4,218 2,220 4,222 36,226 4,229 2,231 2,233 28,237 10,240 2,242 6,244 24,249 2,254 8,256 24,259 10032,260 39.822,261 39.822,262 39.822,263 39.822,264 39.822,265 35.153,266 48.45,267 23.189,268 40.335,269 32.622,270 32.622,271 32.622,272 32.622,273 32.622,274 25.496,275 64.188,276 11.117,277 33.475,278 5.208,279 3.073,280 2.029,281 1.538,282 1.538,283 1.538,284 4.808,290 3368,291 4.359,294 321.058,295 1441.28,298 583.928,302 4.01,303 55.229,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.67,312 1,313 0.59,314 124,315 1493,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.139,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.3,336 6.057,337 3.839,338 2.842,339 3.763,340 0.916,341 8.719,342 2.83,343 4.193,344 3.298,345 6.057,346 3.838,347 2.84,348 3.763,349 0.916,350 8.719,351 2.83,352 4.101,353 3.071,354 5.797,355 3.768,356 2.791,357 3.681,358 0.172,359 8.197,360 2.733,361 3.827,362 2.933,363 5.781,364 3.608,365 2.647,366 3.215,367 0.172,368 7.936,369 2.555,370 3.817,371 2.885,372 5.699,373 3.537,374 2.551,375 3.214,377 7.811,378 2.516,379 3.692,380 2.884,381 5.454,382 3.383,383 2.425,384 2.977,386 7.277,387 2.316,388 3.665,389 2.683,390 5.263,391 3.305,392 2.353,393 2.974,395 6.688,396 2.231,397 3.571,398 2.613,399 5.256,400 3.246,401 2.286,402 2.819,404 6.64,405 2.18,406 3.5,407 2.467,408 5.145,409 3.145,410 2.191,411 2.799,413 6.344,414 2.074,415 3.45,416 2.278,417 4.997,418 3.068,419 2.102,420 2.725,422 5.927,423 2.018,424 3.312,425 2.238,426 4.997,427 3.019,428 2.063,429 2.424,431 5.925,432 1.961,433 3.125,434 2.074,435 4.786,436 2.806,437 1.827,438 2.273,440 5.319,441 1.783,442 2.871,443 1.96,444 4.575,445 2.498,446 1.512,447 1.987,449 4.422,450 1.489,451 27.638,452 0.477,453 1.382,454 0.024,455 75.5,456 1.302,457 38,458 0.655,459 37.5,460 0.647,461 60.555,462 1.044,463 60.562,464 0.582,465 68.039,466 1.173,467 14.67,468 0.253,469 13.636,470 0.235,471 0.045,473 0.355,477 2,479 0.647,480 1.066,481 0.764,482 0.969,483 0.508,484 0.896,485 0.693,486 1.035,487 0.898,488 1.01,489 0.493,490 0.984,491 0.879,492 1.073,493 1.038,494 1.114,495 0.76,496 1.101,497 0.835,498 0.929,499 1.004,500 1.028,501 0.755,502 1.036,503 0.689,504 0.841,505 0.935,506 0.983,507 0.678,508 0.996,509 0.51,510 0.756,511 0.966,512 0.968,513 0.413,514 1.021,515 0.536,516 0.911,517 0.948,518 1.066,519 0.491,520 1.072,521 0.737,522 0.795,523 0.91,524 0.887,525 0.64,526 0.915,527 12,528 0.388,529 6.444,530 3.514,531 3.068,532 1.758,533 1.146,534 1.123,535 0.79,536 0.391,537 99454,538 254265,539 2.193,540 44.2,541 2,542 30,543 2,545 4,547 8,550 1.878,551 2.096,552 4.592,553 1.155,559 155.174,560 1.492,561 3.627,562 4.671,563 5.162,564 5.162,565 5.162,566 4.06,567 4.522,568 5.828,569 4.8,570 7934.4,571 10.368,572 205051,577 696.846,578 1.247,579 5.809,580 0.182,581 0.005,582 0.069,583 0.037,584 0.035,585 0.02,586 0.013,587 0.014,588 0.01,589 0.005,590 0.391,592 0.63,593 0.367,594 377.251,595 -0.034,596 -0.039,597 0.048,598 0.03,599 -0.015,600 0.049,601 0.006,602 -0.034,603 -0.027,604 -0.028,605 0.066,606 -0.031,607 -0.064,608 -0.102,609 -0.101,610 -0.121,611 0.01,612 -0.116,613 -0.048,614 -0.05,615 -0.029,616 -0.047,617 -0.001,618 -0.035,619 -0.002,620 -0.036,621 0.029,622 -0.005,623 -0.012,624 0.011,625 0.17,626 0.108,627 -0.007,628 0.005,629 0.168,630 -0.022,631 0.055,632 -0.07,633 0.003,634 -0.072,635 0.031,636 -0.049,637 -0.007,638 0.045,639 0.077,640 0.085,641 0.019,642 0.094,643 2.033,644 5.784,645 0.828,646 119.339,647 0.999,648 1.123,649 5.165,650 26.674,651 0.681,652 4.205,653 4.554,654 4.844,655 5.124,656 5.38,657 5.485,658 5.645,659 5.846,660 5.974,661 6.125,662 14.308,663 0.648,664 777,665 4.205,666 5.771,667 6.635,668 7.519,669 8.394,670 9.281,671 10.162,672 11.051,673 11.935,674 12.826,675 5.8,678 2,682 2,683 2,687 4,688 20,690 2,693 10,695 38,702 2,713 2,714 104,716 40,717 5,718 66,720 112,721 48,722 34,723 12,724 18,725 2,730 9,731 11,740 4,741 2,743 4,745 36,746 12,747 2,750 2,755 2,759 2,762 2,764 46,765 8,766 4,767 10,773 6,777 0.778,778 2,788 2,792 2,793 7,796 2,815 2,819 7,825 2,827 58,833 10,834 2,837 2,838 2,846 2,847 1.9,850 2,854 27.667,855 18.352,856 12.389,857 6.477,858 7.203,859 1.634,860 1.048,861 11.047,862 18.573,863 4.477,864 5.1,865 5.697,866 6.289,867 6.811,868 7.092,869 7.454,870 7.856,871 8.046,872 8.409,873 1,874 95,875 21.596,877 9.531,878 7.713,879 41.84,881 36.183,883 2.213,884 128.333,888 494.386,889 273.152,890 75.841,892 50.29,893 29.92,895 273.152,896 544.676,897 105.761,899 58.794,900 188.667,901 59.699,902 87.835,903 57.751,904 470.844,906 494.386,907 348.993,908 80.21,911 430.138,912 144.459,915 98.614,916 250.38,919 524.307,920 126.131,921 273.152,924 494.386,925 84.485,926 194.916,927 69.593,928 80.21,929 494.386,930 156.051,931 273.152,933 0.589,934 0.343,935 0.183,936 0.102,937 47,938 20,939 0.089,940 10,941 2,942 1.083,943 6.689,944 659.301,945 0.083,946 48,947 267.763,951 38.109,952 16.813,953 8.721,954 4.37,955 122.48,956 36.374,958 6.861,961 6.832,963 69.593,964 923.59,965 87,970 25.568,974 -0.517,975 103.846,976 116.807,977 0.223,978 0.541,979 0.697,980 0.77,981 0.77,982 0.77,983 5.732,984 2.425,985 6.619,986 7.811,987 5.242,988 5.79,989 2.139,990 7.424,991 5.195,992 6.937,993 2.353,994 8.171,995 7.277,996 4.796,997 5.58,998 0.57,999 8.275,1000 4.725,1001 8.243,1002 2.286,1003 9.817,1004 6.688,1005 6.838,1006 7.997,1007 2.071,1008 11.368,1009 6.755,1010 9.581,1011 2.191,1012 11.518,1013 6.64,1014 7.201,1015 8.636,1016 0.674,1017 13.06,1018 7.106,1019 10.95,1020 2.102,1021 13.256,1022 6.344,1023 8.696,1024 10.52,1025 2.083,1026 15.666,1027 8.588,1028 12.343,1029 2.063,1030 15.02,1031 5.927,1032 9.439,1033 11.577,1034 0.66,1035 17.734,1036 9.327,1037 13.754,1038 1.827,1039 16.804,1040 5.925,1041 10.709,1042 13.237,1043 2.127,1044 20.179,1045 10.584,1046 3.174,1047 1.512,1048 18.604,1049 5.319,1050 11.643,1051 14.512,1052 0.611,1053 22.42,1054 11.515,1055 3.174,1056 10.947,1057 20.418,1058 4.422,1059 12.818,1060 16.074,1061 2.19,1062 24.816,1063 12.681,1064 2.842,1065 10.947,1066 22.243,1067 4.52,1068 13.849,1069 17.462,1070 0.55,1071 27.136,1072 13.707,1073 2.84,1074 8.719,1075 24.078,1076 4.52,1077 14.988,1078 18.983,1079 2.264,1080 29.52,1081 14.837,1082 2.791,1083 8.719,1084 25.921,1085 3.763,1086 16.069,1087 20.427,1088 0.487,1089 31.877,1090 15.911,1091 2.647,1092 8.197,1093 27.772,1094 3.763,1095 17.198,1096 21.934,1097 2.346,1098 34.26,1099 17.031,1100 2.551,1101 7.936,1102 29.629,1103 3.681,1104 18.304,1105 23.407,1106 0.427,1107 36.634,1108 18.129,1109 89106,1110 142864,1111 45.539,1112 70.808,1113 100.256,1114 102.161,1115 101.509,1116 99.584,1117 99.432,1118 129.942,1119 8.588,1120 288.481,1121 97.003,1122 5.587,1123 5.574,1124 6.27,1125 5.2,1126 5.174,1127 7.52,1128 2.117,1129 18.08,1130 5.139,1131 23.908,1132 1.519,1133 1.548,1134 1.538,1135 1.509,1136 1.507,1137 1.969,1138 0.13,1139 4.371,1140 1.47,1141 4.181,1142 4.217,1143 4.134,1144 4.095,1145 8.203,1146 4.1,1147 4.125,1148 4.159,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.965,1154 4.004,1155 3.898,1156 3.893,1157 7.431,1158 3.889,1159 3.925,1160 3.95,1161 3.877,1162 3.847,1163 7.427,1164 3.849,1165 3.914,1166 3.938,1167 3.868,1168 3.835,1169 4.984,1170 3.838,1171 3.803,1172 3.867,1173 3.688,1174 3.664,1175 4.949,1176 3.661,1177 3.748,1178 3.8,1179 3.637,1180 3.636,1181 4.735,1182 3.629,1183 3.497,1184 3.552,1185 3.434,1186 3.32,1187 4.608,1188 3.337,1189 0.07,1190 0.054,1191 0.102,1192 0.063,1193 0.048,1194 4.587,1195 0.068,1196 3.574,1197 0.016,1198 6.719,1199 0.166,1200 4.163,1201 0.048,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.139,1207 1.982,1208 1.953,1209 2.111,1210 2.091,1211 1.456,1212 2.1,1213 1.97,1214 1.945,1215 2.082,1216 2.066,1217 1.448,1218 2.072,1219 1.941,1220 1.913,1221 2.035,1222 2.041,1223 1.216,1224 2.039,1225 1.887,1226 1.863,1227 2.003,1228 2.008,1229 1.147,1230 2.011,1231 1.882,1232 1.86,1233 1.987,1234 1.967,1235 1.128,1236 1.973,1237 1.818,1238 1.766,1239 1.958,1240 1.956,1241 1.055,1242 1.958,1243 1.787,1244 1.738,1245 1.945,1246 1.92,1247 1.054,1248 1.933,1249 1.47,1250 1.407,1251 1.642,1252 1.685,1253 0.88,1254 1.676,1255 4.89,1257 6.232,1258 3.045,1259 7.758,1260 5.416,1261 9.363,1262 7.535,1263 11.009,1267 26.703,1271 10.209,1272 5.947,1275 0.865,1276 5.121,1280 67.387,1281 155.174,1282 377.241,1283 485.787,1284 536.846,1285 536.846,1286 536.846,1287 112.08,1288 11.37,1289 96.26,1290 96.26,1291 52,1292 13.356,1293 5.358,1294 4.459,1295 78.635,1296 509,1297 493,1298 0.072,1299 400.196,1300 696.98,1301 968.239,1302 2510670,1303 1.9,1304 39.589,1305 0.683,1306 0.556,1307 37.848,1308 32.24,1309 28.306,1310 0.429,1311 0.306,1312 19.984,1313 27.47,1314 19.612,1315 16.116,1316 27.518,1317 20.196,1318 26.086,1319 0.278,1320 0.169,1321 24.842,1322 15.852,1323 22.514,1324 0.179,1325 0.095,1326 21.693,1327 12.015,1328 18.947,1329 0.113,1330 0.053,1331 18.644,1332 8.871,1333 15.782,1334 0.073,1335 0.03,1336 15.359,1337 6.521,1338 0.121,1339 175.672,1340 0.148,1341 49.886,1342 0.18,1343 320,1344 894.315,1345 343.803,1346 830.545,1347 1135.72,1348 778,1349 380,1350 834.615,1351 403.129,1352 842.679,1353 1234.6,1354 796,1355 6.821} {0 CHEMBL452387,1 1.376,2 22.696,3 6.657,4 44.321,5 187.739,6 6.377,7 0.392,8 4.649,9 4.793,10 4.085,11 4.173,12 5.571,13 4.119,14 5.254,15 5.462,16 4.434,17 4.62,18 6.105,19 4.527,20 5.574,21 5.824,22 4.461,23 4.801,24 6.366,25 4.66,26 5.664,27 5.941,28 4.415,29 4.808,30 6.433,31 4.641,32 5.611,33 5.893,34 4.371,35 4.718,36 6.413,37 4.56,38 5.506,39 5.774,40 4.325,41 4.645,42 6.334,43 4.502,44 5.459,45 5.725,46 4.285,47 4.593,48 6.322,49 4.448,50 5.436,51 5.705,52 4.14,53 4.531,54 6.284,55 4.372,56 0.113,57 1.452,58 23.82,59 9.279,60 13.321,61 13.648,62 0.397,63 2.408,64 44.081,65 16.103,66 32.994,67 24.173,68 0.476,69 2.99,70 60.49,71 22.231,72 53.898,73 33.031,74 0.488,75 3.099,76 65.937,77 24.242,78 64.456,79 36.155,80 0.584,81 2.893,82 63.136,83 22.222,84 71.802,85 33.224,86 0.569,87 2.694,88 57.155,89 19.377,90 59.654,91 29.298,92 0.554,93 2.548,94 54.462,95 18.674,96 65.715,97 28.219,98 0.61,99 2.425,100 53.611,101 17.856,102 64.748,103 26.757,104 17,105 70,106 0.201,107 0.478,108 0.645,109 0.711,110 0.723,111 0.723,112 3.852,113 1.036,114 -4.65,115 -4.57,116 -4.3,119 38.8,121 12,122 2,124 2,125 4,140 6,141 4,142 2,149 2,150 2,156 2,169 19,172 6,174 2,176 12,178 20,182 4,186 12,189 17,193 8,197 8,199 16,203 8,207 2,208 4,211 17,215 6,218 2,220 6,222 16,226 6,229 2,231 4,233 13,237 8,240 2,242 4,244 16,249 2,254 4,256 16,259 5160,260 31.446,261 31.446,262 31.446,263 31.446,264 31.446,265 28.927,266 38.838,267 18.855,268 31.844,269 25.233,270 25.233,271 25.233,272 25.233,273 25.233,274 21.206,275 49.09,276 9.089,277 25.825,278 5.238,279 3.343,280 2.199,281 1.75,282 1.668,283 1.668,284 4.565,289 1,290 2318,291 4.69,294 276.12,295 650.662,298 486.056,302 3.214,303 32.733,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 97,315 1044,316 4.586,317 3.592,318 6.719,319 4.161,320 3.173,321 4.52,322 1.907,323 10.946,324 3.137,325 4.586,326 3.592,327 6.719,328 4.161,329 3.173,330 4.52,331 1.907,332 10.946,333 3.137,334 3.881,335 3.295,336 5.783,337 3.622,338 2.644,339 3.237,340 0.8,341 7.948,342 2.586,343 3.88,344 3.295,345 5.783,346 3.621,347 2.643,348 3.237,349 0.8,350 7.948,351 2.585,352 3.673,353 2.782,354 5.417,355 3.445,356 2.471,357 2.894,358 0.149,359 7.111,360 2.41,361 3.672,362 2.782,363 5.417,364 3.443,365 2.469,366 2.894,367 0.149,368 7.111,369 2.408,370 3.408,371 2.534,372 5.035,373 3.147,374 2.188,375 2.62,377 6.012,378 2.096,379 3.406,380 2.534,381 5.035,382 3.142,383 2.184,384 2.619,386 6.012,387 2.088,388 3.287,389 2.237,390 4.793,391 2.992,392 2.013,393 2.39,395 5.413,396 1.954,397 3.287,398 2.236,399 4.792,400 2.971,401 1.987,402 2.39,404 5.409,405 1.937,406 2.853,407 1.879,408 4.543,409 2.781,410 1.775,411 1.954,413 4.353,414 1.781,415 2.849,416 1.565,417 4.543,418 2.486,419 1.502,420 1.953,422 4.353,423 1.476,424 2.836,425 1.522,426 3.965,427 2.486,428 1.502,429 1.838,431 3.663,432 1.476,433 2.555,434 1.522,435 3.964,436 2.377,437 1.373,438 1.571,440 3.059,441 1.375,442 2.55,443 1.182,444 3.844,445 2.111,446 1.148,447 1.565,449 3.032,450 1.103,451 22.067,452 0.48,453 1.006,454 0.022,455 49.5,456 1.076,457 20,458 0.435,459 29.5,460 0.641,461 53.914,462 1.172,463 51.733,464 0.528,465 38.46,466 0.836,467 8.643,468 0.188,469 13.78,470 0.3,471 0.076,473 0.308,479 0.832,480 1.413,481 0.956,482 1.176,483 0.556,484 1.087,485 0.833,486 1.167,487 1.012,488 1.073,489 0.499,490 1.053,491 1.013,492 1.069,493 1.059,494 1.068,495 0.953,496 1.068,497 0.84,498 1.036,499 0.962,500 1.044,501 0.839,502 1.02,503 1.035,504 0.977,505 0.934,506 0.965,507 1.187,508 0.948,509 1.198,510 1.007,511 1.051,512 1.004,513 1.215,514 1.009,515 1.072,516 1.094,517 1.024,518 1.068,519 1.165,520 1.045,521 1.5,522 0.961,523 1.18,524 1.027,525 1.7,526 1.067,527 8.5,528 0.246,529 4.667,530 2.639,531 2.081,532 1.202,533 0.991,534 0.741,535 0.44,536 0.243,537 54689,538 104715,539 2.13,540 53.1,541 14,542 20,543 2,545 4,546 4,547 8,550 1.822,551 2.029,552 4.403,553 1.276,559 134.888,560 1.376,561 3.272,562 4.416,563 4.865,564 4.946,565 4.946,566 3.795,567 4.35,568 5.502,569 4.621,570 4782.56,571 9.685,572 108963,577 648.242,578 1.265,579 5.471,580 0.167,581 0.006,582 0.067,583 0.038,584 0.033,585 0.02,586 0.017,587 0.013,588 0.01,589 0.006,590 0.376,592 0.63,593 0.426,594 284.18,595 -0.016,596 -0.112,597 0.06,598 -0.005,599 0.015,600 0.029,601 0.045,602 0.01,603 -0.005,604 0.004,605 0.094,606 -0.003,607 -0.091,608 -0.023,609 -0.07,610 -0.033,611 -0.043,612 -0.047,613 -0.006,614 -0.059,615 0.009,616 -0.034,617 0.017,618 -0.014,619 0.014,620 -0.015,621 0.057,622 0.019,623 -0.025,624 0.037,625 -0.056,626 0.012,627 -0.042,628 -0.024,629 -0.072,630 -0.029,631 0.046,632 -0.086,633 -0.02,634 -0.078,635 0.012,636 -0.057,637 -0.145,638 0.037,639 -0.155,640 -0.061,641 -0.172,642 -0.102,643 1.58,644 5.665,645 0.652,646 71.834,647 0.986,648 1.132,649 3.425,650 11.728,651 0.637,652 3.951,653 4.263,654 4.522,655 4.796,656 5.024,657 5.13,658 5.278,659 5.407,660 5.421,661 5.442,662 13.015,663 0.589,664 624.96,665 3.951,666 5.493,667 6.337,668 7.209,669 8.072,670 8.953,671 9.829,672 10.716,673 11.599,674 12.491,675 6.1,678 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,714 98,716 22,717 2,718 51,720 103,721 38,722 16,723 6,724 6,730 6,731 8,740 4,741 2,743 12,745 18,746 20,747 2,750 2,755 2,759 2,764 52,765 6,766 4,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,805 2,815 2,819 4,823 2,827 46,833 16,834 2,837 2,838 2,847 2,850 2,854 22.667,855 17.567,856 10.083,857 6.564,858 3.902,859 1.424,860 0.993,861 11.288,862 13.098,863 4.159,864 4.714,865 5.274,866 5.889,867 6.39,868 6.766,869 7.187,870 7.568,871 7.565,872 7.752,873 0.933,874 69,875 17.181,877 7.307,878 7.486,879 34.313,881 29.374,883 1.986,884 91.333,888 565.013,889 161.31,890 75.841,892 50.29,895 161.31,896 615.303,897 75.841,898 16.793,899 74.859,900 74.952,901 59.699,902 56.85,903 27.83,904 541.471,906 565.013,907 237.152,908 50.29,911 470.844,912 144.459,915 114.678,916 122.473,919 565.013,920 126.131,921 161.31,924 565.013,925 69.565,926 97.994,927 69.593,928 50.29,929 565.013,930 126.131,931 161.31,933 0.577,934 0.326,935 0.175,936 0.098,937 32,938 14,939 0.126,940 13,941 2,942 1.133,943 5.846,944 448.839,945 0.133,946 30,947 200.084,951 32.959,952 15.754,953 8.7,954 4.749,955 92.56,956 16.756,958 6.848,961 4.532,963 69.593,964 852.454,965 63,970 25.33,974 0.174,975 96.588,976 110.958,977 0.208,978 0.495,979 0.668,980 0.735,981 0.748,982 0.748,983 5.407,984 2.184,985 6.304,986 6.012,987 4.949,988 5.403,989 2.709,990 7.088,991 4.906,992 6.579,993 2.013,994 7.84,995 6.012,996 4.443,997 5.215,998 2.262,999 7.928,1000 4.386,1001 7.87,1002 1.987,1003 9.475,1004 5.413,1005 6.512,1006 7.574,1007 3.595,1008 11.041,1009 6.432,1010 9.197,1011 1.775,1012 11.172,1013 5.409,1014 6.847,1015 8.303,1016 3.716,1017 12.778,1018 6.76,1019 10.564,1020 1.502,1021 12.911,1022 4.353,1023 8.356,1024 10.142,1025 4.727,1026 15.408,1027 8.25,1028 11.957,1029 1.502,1030 14.682,1031 4.353,1032 9.101,1033 11.302,1034 5.099,1035 17.528,1036 8.991,1037 13.374,1038 1.373,1039 16.476,1040 3.663,1041 10.381,1042 12.941,1043 5.942,1044 19.999,1045 10.256,1046 3.173,1047 1.148,1048 18.29,1049 3.059,1050 11.331,1051 14.299,1052 6.442,1053 22.279,1054 11.203,1055 3.173,1056 10.946,1057 20.12,1058 3.032,1059 12.519,1060 15.859,1061 7.194,1062 24.697,1063 12.378,1064 2.644,1065 10.946,1066 21.962,1067 4.52,1068 13.571,1069 17.304,1070 7.761,1071 27.043,1072 13.425,1073 2.643,1074 7.948,1075 23.816,1076 4.52,1077 14.725,1078 18.832,1079 8.464,1080 29.444,1081 14.568,1082 2.471,1083 7.948,1084 25.677,1085 3.237,1086 15.826,1087 20.313,1088 9.067,1089 31.817,1090 15.663,1091 2.469,1092 7.111,1093 27.547,1094 3.237,1095 16.971,1096 21.829,1097 9.744,1098 34.211,1099 16.798,1100 2.188,1101 7.111,1102 29.422,1103 2.894,1104 18.096,1105 23.326,1106 10.367,1107 36.596,1108 17.915,1109 49906,1110 69248,1111 34.789,1112 62.455,1113 75.761,1114 77.195,1115 77.345,1116 75.431,1117 75.415,1118 92.938,1119 11.424,1120 212.063,1121 73.792,1122 5.586,1123 5.592,1124 6.61,1125 5.197,1126 5.173,1127 7.52,1128 3.306,1129 18.076,1130 5.137,1131 20.257,1132 1.486,1133 1.514,1134 1.517,1135 1.479,1136 1.479,1137 1.822,1138 0.224,1139 4.158,1140 1.447,1141 4.172,1142 4.208,1143 4.125,1144 4.085,1145 7.431,1146 4.091,1147 4.124,1148 4.158,1149 4.084,1150 4.043,1151 7.427,1152 4.049,1153 3.817,1154 3.882,1155 3.698,1156 3.687,1157 4.981,1158 3.674,1159 3.813,1160 3.874,1161 3.691,1162 3.67,1163 4.949,1164 3.666,1165 3.809,1166 3.873,1167 3.674,1168 3.665,1169 4.383,1170 3.662,1171 3.686,1172 3.739,1173 3.581,1174 3.519,1175 4.379,1176 3.52,1177 3.55,1178 3.608,1179 3.448,1180 3.356,1181 4.319,1182 3.371,1183 3.436,1184 3.503,1185 3.316,1186 3.281,1187 4.294,1188 3.284,1189 0.09,1190 0.07,1191 0.132,1192 0.082,1193 0.062,1194 4.586,1195 0.089,1196 3.592,1197 0.037,1198 6.719,1199 0.215,1200 4.161,1201 0.062,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.137,1207 1.966,1208 1.94,1209 2.086,1210 2.065,1211 1.443,1212 2.073,1213 1.965,1214 1.94,1215 2.084,1216 2.063,1217 1.443,1218 2.072,1219 1.83,1220 1.775,1221 2.051,1222 2.002,1223 1.41,1224 2.013,1225 1.825,1226 1.77,1227 1.987,1228 1.996,1229 1.226,1230 1.998,1231 1.798,1232 1.741,1233 1.979,1234 1.951,1235 1.141,1236 1.973,1237 1.649,1238 1.596,1239 1.887,1240 1.833,1241 1.134,1242 1.849,1243 1.465,1244 1.397,1245 1.67,1246 1.703,1247 0.941,1248 1.693,1249 1.462,1250 1.395,1251 1.664,1252 1.685,1253 0.825,1254 1.683,1255 4.635,1257 5.948,1258 3.045,1259 7.441,1260 5.416,1261 9.022,1262 7.535,1263 10.655,1265 4.385,1271 16.365,1272 6.25,1275 1.153,1276 4.793,1280 57.674,1281 134.888,1282 320.635,1283 432.783,1284 476.732,1285 484.732,1286 484.732,1287 90.295,1288 9.196,1289 96.26,1290 96.26,1291 34,1292 13.021,1293 4.524,1294 3.7,1295 71.747,1296 377,1297 303,1298 0.089,1299 350.403,1300 605.38,1301 846.744,1302 217087,1304 31.882,1305 0.693,1306 0.604,1307 31.882,1308 27.798,1309 22.424,1310 0.44,1311 0.345,1312 17.446,1313 21.792,1314 17.024,1315 14.122,1316 22.424,1317 17.616,1318 20.109,1319 0.287,1320 0.198,1321 20.109,1322 13.882,1323 16.602,1324 0.182,1325 0.114,1326 16.602,1327 10.369,1328 13.818,1329 0.115,1330 0.062,1331 13.818,1332 7.48,1333 11.242,1334 0.074,1335 0.036,1336 11.242,1337 5.474,1338 0.151,1339 138.816,1340 0.17,1341 42.149,1342 0.214,1343 242,1344 542.093,1345 257.475,1346 533.844,1347 738.94,1348 502,1349 282,1350 547.245,1351 297.312,1352 560.107,1353 815.26,1354 528,1355 9.022} {0 CHEMBL453939,1 1.583,2 23.291,3 6.525,4 42.57,5 208.42,6 7.591,7 0.516,8 4.689,9 4.813,10 4.268,11 4.247,12 5.797,13 4.23,14 5.249,15 5.414,16 4.662,17 4.689,18 6.355,19 4.647,20 5.585,21 5.796,22 4.739,23 4.869,24 6.63,25 4.791,26 5.693,27 5.927,28 4.704,29 4.894,30 6.692,31 4.792,32 5.73,33 5.985,34 4.686,35 4.871,36 6.683,37 4.768,38 5.692,39 5.935,40 4.671,41 4.866,42 6.769,43 4.759,44 5.683,45 5.943,46 4.587,47 4.853,48 6.588,49 4.725,50 5.635,51 5.899,52 4.581,53 4.792,54 6.557,55 4.675,56 0.094,57 1.606,58 19.324,59 8.836,60 18.883,61 11.301,62 0.374,63 2.666,64 36.943,65 15.483,66 54.945,67 20.454,68 0.7,69 3.444,70 57.467,71 22.079,72 104.76,73 29.316,74 0.779,75 3.575,76 66.509,77 24.524,78 127.147,79 33.608,80 0.93,81 3.514,82 71.82,83 24.497,84 142.786,85 34.615,86 1.298,87 3.514,88 68.07,89 23.267,90 202.547,91 32.688,92 0.815,93 3.393,94 68.281,95 24.992,96 130.83,97 35.367,98 0.723,99 3.256,100 65.693,101 23.882,102 118.768,103 33.692,104 38,105 89,106 0.228,107 0.547,108 0.68,109 0.743,110 0.76,111 0.775,112 4.027,113 0.91,114 -4.66,115 -4.58,116 -4.3,119 43.9,121 4,122 2,125 5,127 1,140 14,141 6,142 4,149 2,150 2,156 3,161 1,162 1,163 1,169 20,172 6,173 1,174 3,176 12,178 22,181 2,182 6,183 1,184 1,186 14,189 16,192 1,193 10,194 1,195 1,197 10,199 12,203 12,207 2,208 4,211 18,213 2,215 9,218 2,220 7,222 22,224 3,226 8,229 2,231 4,233 18,235 2,237 10,240 2,242 6,244 16,246 2,249 4,252 3,253 1,254 6,255 1,256 17,258 2,259 8707,260 37.358,261 37.358,262 37.358,263 37.358,264 37.358,265 33.23,266 43.646,267 21.577,268 37.85,269 30.584,270 30.584,271 30.584,272 30.584,273 30.584,274 24.255,275 54.088,276 10.264,277 31.407,278 5.031,279 2.81,280 1.883,281 1.449,282 1.327,283 1.224,284 4.748,290 2863,291 4.796,294 308.986,295 1182.68,298 561.487,302 3.652,303 66.885,306 0.5,307 0.17,308 0.5,309 0.6,310 0.5,311 0.67,312 1,313 0.56,314 119.5,315 1281,316 4.587,317 3.737,318 6.72,319 4.166,320 3.179,321 4.52,322 1.94,323 10.949,324 3.14,325 4.587,326 3.574,327 6.719,328 4.162,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.574,336 6.423,337 3.938,338 2.979,339 3.763,340 1.058,341 9.847,342 2.858,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.809,350 8.719,351 2.83,352 4.069,353 3.293,354 6.057,355 3.835,356 2.836,357 3.222,358 0.8,359 8.718,360 2.825,361 3.821,362 2.9,363 5.777,364 3.575,365 2.603,366 3.214,368 7.902,369 2.536,370 3.804,371 2.885,372 5.761,373 3.506,374 2.517,375 3.166,377 7.823,378 2.488,379 3.669,380 2.883,381 5.31,382 3.322,383 2.375,384 2.975,386 6.84,387 2.243,388 3.646,389 2.783,390 5.259,391 3.28,392 2.323,393 2.968,395 6.657,396 2.211,397 3.506,398 2.605,399 5.244,400 3.173,401 2.224,402 2.799,404 6.574,405 2.095,406 3.478,407 2.541,408 4.998,409 3.087,410 2.121,411 2.788,413 5.927,414 2.033,415 3.332,416 2.263,417 4.997,418 3.033,419 2.075,420 2.433,422 5.926,423 1.977,424 3.195,425 2.245,426 4.913,427 2.892,428 1.914,429 2.289,431 5.306,432 1.855,433 2.884,434 1.961,435 4.581,436 2.512,437 1.522,438 1.994,440 4.434,441 1.503,442 2.852,443 1.96,444 4.563,445 2.478,446 1.492,447 1.954,449 4.334,450 1.468,451 25.871,452 0.47,453 1.424,454 0.026,455 69.5,456 1.264,457 33.5,458 0.609,459 36,460 0.655,461 59.293,462 1.078,463 58.729,464 0.599,465 64.787,466 1.178,467 13.55,468 0.246,469 13.128,470 0.239,471 0.076,473 0.379,477 2,479 0.669,480 1.095,481 0.76,482 0.983,483 0.54,484 0.898,485 0.645,486 1.074,487 0.865,488 1.045,489 0.469,490 1.001,491 0.888,492 1.005,493 1.02,494 1.058,495 0.792,496 1.061,497 0.824,498 0.971,499 1.03,500 1.095,501 0.78,502 1.1,503 0.81,504 0.798,505 0.938,506 0.914,507 0.779,508 0.939,509 0.754,510 0.757,511 1.044,512 0.947,513 0.71,514 1.024,515 0.632,516 0.824,517 0.929,518 0.979,519 0.615,520 1.005,521 0.654,522 0.833,523 0.839,524 0.931,525 0.621,526 0.925,527 11.5,528 0.447,529 7.111,530 3.514,531 3.366,532 2.001,533 1.108,534 1.152,535 0.911,536 0.561,537 79072,538 216505,539 2.149,540 43.9,541 2,542 25,543 2,545 6,547 8,550 1.869,551 2.025,552 4.438,553 2.613,559 155.176,560 1.583,561 3.804,562 4.732,563 5.166,564 5.288,565 5.39,566 3.895,567 5.418,568 5.749,569 4.646,570 6899.42,571 10.228,572 164630,577 648.242,578 1.366,579 5.72,580 0.185,581 0.006,582 0.08,583 0.038,584 0.039,585 0.024,586 0.014,587 0.015,588 0.012,589 0.007,590 0.419,592 0.75,593 0.559,594 349.261,595 -0.059,596 -0.029,597 0.035,598 0.046,599 -0.031,600 0.059,601 0.029,602 -0.055,603 -0.011,604 -0.037,605 0.087,606 -0.033,607 -0.055,608 -0.027,609 -0.084,610 -0.06,611 -0.007,612 -0.074,613 -0.039,614 -0.086,615 -0.072,616 -0.109,617 -0.017,618 -0.099,619 -0.045,620 -0.007,621 0.045,622 0.041,623 -0.033,624 0.058,625 0.055,626 0.099,627 -0.071,628 0.009,629 0.067,630 -0.041,631 0.021,632 -0.009,633 0.039,634 0.01,635 0.007,636 0.026,637 0.031,638 -0.026,639 0.141,640 0.056,641 0.038,642 0.107,643 2.058,644 5.859,645 0.764,646 105.171,647 1.005,648 1.129,649 3.427,650 11.747,651 0.671,652 4.143,653 4.5,654 4.796,655 5.069,656 5.323,657 5.434,658 5.602,659 5.808,660 5.938,661 6.08,662 12.883,663 0.644,664 743.93,665 4.143,666 5.714,667 6.581,668 7.469,669 8.35,670 9.24,671 10.127,672 11.019,673 11.909,674 12.804,675 7.1,678 2,682 3,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 98,716 35,717 4,718 62,720 105,721 43,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 5,745 31,746 12,747 2,750 3,755 3,759 3,762 2,764 43,765 10,766 6,767 12,773 7,777 0.75,778 3,788 2,792 2,793 6,796 2,804 1,815 2,819 6,825 2,827 55,828 1,833 9,834 2,837 3,838 2,846 2,847 3.1,850 3,854 27.167,855 17.102,856 11.778,857 6.013,858 5.889,859 1.55,860 1.033,861 10.74,862 16.586,863 4.407,864 5.021,865 5.609,866 6.192,867 6.706,868 7.01,869 7.383,870 7.789,871 7.977,872 8.337,873 0.938,874 92,875 20.536,877 9.155,878 7.855,879 39.164,881 33.82,883 2.355,884 129.5,888 435.531,889 231.475,890 108.738,892 75.435,893 29.92,895 231.475,896 510.966,897 138.659,899 89.585,900 150.762,901 89.549,902 81.463,903 57.751,904 411.989,906 435.531,907 340.213,908 105.355,911 371.282,912 169.604,915 129.405,916 210.808,919 465.451,920 184.173,921 231.475,924 435.531,925 80.713,926 157.011,927 69.593,928 138.252,929 435.531,930 214.093,931 231.475,933 0.592,934 0.347,935 0.183,936 0.102,937 44,938 20,939 0.095,940 10,941 2,942 1.095,943 6.281,944 621.131,945 0.095,946 42,947 301.975,951 36.937,952 15.992,953 8.18,954 4.091,955 180.522,956 26.649,958 6.755,961 3.727,963 102.49,964 881.099,965 81,970 38.408,974 -0.899,975 98.508,976 110.685,977 0.239,978 0.575,979 0.715,980 0.781,981 0.799,982 0.815,983 5.67,984 2.375,985 6.575,986 7.823,987 5.187,988 5.71,989 2.615,990 7.397,991 5.139,992 6.877,993 2.323,994 8.142,995 6.84,996 4.796,997 5.545,998 1.738,999 8.304,1000 4.724,1001 8.188,1002 2.224,1003 9.805,1004 6.657,1005 6.801,1006 7.912,1007 3.255,1008 11.396,1009 6.712,1010 9.531,1011 2.121,1012 11.523,1013 6.574,1014 7.216,1015 8.592,1016 3.103,1017 13.134,1018 7.114,1019 10.905,1020 2.075,1021 13.278,1022 5.927,1023 8.687,1024 10.443,1025 4.255,1026 15.744,1027 8.569,1028 12.302,1029 1.914,1030 15.059,1031 5.926,1032 9.47,1033 11.532,1034 4.505,1035 17.836,1036 9.344,1037 13.717,1038 1.522,1039 16.859,1040 5.306,1041 10.729,1042 13.174,1043 5.436,1044 20.283,1045 10.588,1046 3.179,1047 1.492,1048 18.674,1049 4.434,1050 11.69,1051 14.472,1052 5.886,1053 22.532,1054 11.541,1055 3.174,1056 10.949,1057 20.501,1058 4.334,1059 12.862,1060 16.027,1061 6.696,1062 24.926,1063 12.7,1064 2.979,1065 10.947,1066 22.338,1067 4.52,1068 13.91,1069 17.429,1070 7.245,1071 27.246,1072 13.739,1073 2.84,1074 9.847,1075 24.183,1076 4.52,1077 15.05,1078 18.949,1079 7.989,1080 29.625,1081 14.867,1082 2.836,1083 8.719,1084 26.034,1085 3.763,1086 16.14,1087 20.402,1088 8.59,1089 31.977,1090 15.947,1091 2.603,1092 8.718,1093 27.892,1094 3.763,1095 17.272,1096 21.91,1097 9.298,1098 34.354,1099 17.067,1100 2.517,1101 7.902,1102 29.755,1103 3.222,1104 18.384,1105 23.389,1106 9.926,1107 36.722,1108 18.168,1109 71738,1110 119006,1111 42.074,1112 65.745,1113 95.075,1114 97.126,1115 96.808,1116 94.204,1117 94.034,1118 121.325,1119 11.332,1120 275.629,1121 91.678,1122 5.587,1123 5.737,1124 6.134,1125 5.211,1126 5.179,1127 7.52,1128 3.404,1129 18.09,1130 5.14,1131 27.474,1132 1.533,1133 1.567,1134 1.561,1135 1.519,1136 1.517,1137 1.957,1138 0.183,1139 4.446,1140 1.479,1141 4.179,1142 4.215,1143 4.132,1144 4.091,1145 8.203,1146 4.097,1147 4.124,1148 4.158,1149 4.084,1150 4.043,1151 8.2,1152 4.049,1153 3.926,1154 3.951,1155 3.881,1156 3.849,1157 7.438,1158 3.851,1159 3.913,1160 3.948,1161 3.868,1162 3.835,1163 7.43,1164 3.838,1165 3.887,1166 3.937,1167 3.792,1168 3.726,1169 7.427,1170 3.732,1171 3.772,1172 3.834,1173 3.654,1174 3.641,1175 4.983,1176 3.636,1177 3.577,1178 3.624,1179 3.496,1180 3.423,1181 4.949,1182 3.433,1183 3.484,1184 3.541,1185 3.421,1186 3.294,1187 4.882,1188 3.314,1189 0.074,1190 0.06,1191 0.108,1192 0.067,1193 0.051,1194 4.587,1195 0.073,1196 3.737,1197 0.031,1198 6.72,1199 0.177,1200 4.166,1201 0.051,1202 3.179,1203 4.52,1204 1.94,1205 10.949,1206 3.14,1207 1.974,1208 1.948,1209 2.098,1210 2.088,1211 1.469,1212 2.093,1213 1.968,1214 1.944,1215 2.074,1216 2.061,1217 1.437,1218 2.064,1219 1.893,1220 1.866,1221 2.011,1222 2.032,1223 1.169,1224 2.027,1225 1.885,1226 1.862,1227 1.999,1228 1.993,1229 1.141,1230 1.999,1231 1.846,1232 1.799,1233 1.964,1234 1.961,1235 1.063,1236 1.963,1237 1.803,1238 1.751,1239 1.954,1240 1.951,1241 1.055,1242 1.954,1243 1.581,1244 1.533,1245 1.748,1246 1.782,1247 1.033,1248 1.774,1249 1.427,1250 1.362,1251 1.599,1252 1.66,1253 0.825,1254 1.646,1255 4.828,1257 6.176,1258 3.045,1259 7.708,1260 5.416,1261 9.319,1262 7.535,1263 10.972,1267 26.684,1269 6.037,1271 7.372,1272 5.869,1275 0.225,1276 4.582,1280 63.07,1281 155.176,1282 372.826,1283 463.719,1284 506.242,1285 518.242,1286 528.242,1287 127.037,1288 10.698,1289 139.35,1290 139.35,1291 46,1292 13.331,1293 5.17,1294 4.322,1295 78.002,1296 427,1297 445,1298 0.085,1299 376.273,1300 658.81,1301 909.867,1302 1100490,1303 2,1304 38.053,1305 0.692,1306 0.551,1307 36.313,1308 30.286,1309 26.678,1310 0.43,1311 0.303,1312 18.566,1313 25.736,1314 18.269,1315 14.97,1316 25.89,1317 18.799,1318 24.754,1319 0.278,1320 0.166,1321 23.51,1322 14.734,1323 21.282,1324 0.177,1325 0.095,1326 20.46,1327 11.353,1328 17.717,1329 0.112,1330 0.053,1331 17.414,1332 8.303,1333 14.743,1334 0.072,1335 0.03,1336 14.321,1337 6.131,1338 0.141,1339 166.732,1340 0.154,1341 47.453,1342 0.216,1343 302,1344 905.363,1345 329.377,1346 832.433,1347 1123.38,1348 776,1349 360,1350 816.449,1351 386.067,1352 817.827,1353 1198.99,1354 773,1355 6} {0 CHEMBL454766,1 1.63,2 23.196,3 8.465,4 71.651,5 205.813,6 7.927,7 0.508,8 4.686,9 4.805,10 4.296,11 4.238,12 5.806,13 4.231,14 5.269,15 5.431,16 4.735,17 4.679,18 6.621,19 4.653,20 5.59,21 5.803,22 4.779,23 4.859,24 6.68,25 4.792,26 5.705,27 5.937,28 4.766,29 4.879,30 6.784,31 4.795,32 5.746,33 5.998,34 4.768,35 4.846,36 6.813,37 4.773,38 5.709,39 5.951,40 4.739,41 4.827,42 6.915,43 4.757,44 5.658,45 5.907,46 4.635,47 4.812,48 6.688,49 4.714,50 5.616,51 5.87,52 4.646,53 4.763,54 6.642,55 4.673,56 0.17,57 1.797,58 17.701,59 9.117,60 32.4,61 10.914,62 1.052,63 3.338,64 36.849,65 15.874,66 167.733,67 19.663,68 1.101,69 3.757,70 56.959,71 22.287,72 129.667,73 28.626,74 1.322,75 4.014,76 67.549,77 25.112,78 180.727,79 32.568,80 1.513,81 4.157,82 74.779,83 25.639,84 236.515,85 32.875,86 2.037,87 4.261,88 71.98,89 24.403,90 315.778,91 29.596,92 1.356,93 3.79,94 67.409,95 24.694,96 204.772,97 31.739,98 1.064,99 3.574,100 64.322,101 23.615,102 157.381,103 31.471,104 51,105 92,106 0.235,107 0.551,108 0.674,109 0.737,110 0.755,111 0.77,112 4.045,113 0.899,114 -6.03,115 -5.88,116 -5.47,119 44.3,121 4,122 2,125 5,127 1,131 1,140 14,141 6,142 4,149 2,150 2,156 2,169 20,172 6,174 2,176 12,178 22,181 1,182 6,186 14,189 16,193 10,197 10,199 12,203 10,207 2,208 2,211 18,215 6,218 2,220 4,222 22,226 6,229 2,231 2,233 18,237 8,240 2,242 4,244 16,249 2,252 2,254 4,256 17,259 9230,260 37.623,261 37.623,262 37.623,263 37.623,264 37.623,265 33.678,266 44.324,267 21.59,268 38.387,269 31.095,270 31.095,271 31.095,272 31.095,273 31.095,274 25.047,275 56.109,276 10.297,277 32.436,278 4.97,279 2.783,280 1.931,281 1.492,282 1.369,283 1.266,284 4.763,290 2898,291 5.099,294 315.894,295 1209.08,298 574.199,302 3.675,303 89.021,306 0.5,307 0.5,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.67,314 124.5,315 1299,316 4.587,317 4.349,318 7.252,319 4.246,320 3.382,321 4.52,322 3.02,323 12.268,324 3.141,325 4.587,326 3.574,327 6.719,328 4.162,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.38,335 3.574,336 6.719,337 4.154,338 3.17,339 3.763,340 1.058,341 10.946,342 2.921,343 4.193,344 3.299,345 6.057,346 3.838,347 2.84,348 3.763,349 0.8,350 8.719,351 2.83,352 4.193,353 3.295,354 6.057,355 3.837,356 2.839,357 3.382,358 0.8,359 8.719,360 2.828,361 3.822,362 2.968,363 5.79,364 3.58,365 2.619,366 3.214,368 7.94,369 2.537,370 3.816,371 2.885,372 5.777,373 3.549,374 2.583,375 3.213,377 7.9,378 2.5,379 3.673,380 2.884,381 5.577,382 3.337,383 2.403,384 2.975,386 7.341,387 2.245,388 3.662,389 2.789,390 5.309,391 3.306,392 2.363,393 2.972,395 6.816,396 2.218,397 3.518,398 2.61,399 5.257,400 3.207,401 2.268,402 2.8,404 6.639,405 2.103,406 3.496,407 2.543,408 5.244,409 3.144,410 2.203,411 2.795,413 6.561,414 2.048,415 3.384,416 2.263,417 4.997,418 3.051,419 2.093,420 2.483,422 5.926,423 1.985,424 3.284,425 2.244,426 4.997,427 3.014,428 2.065,429 2.373,431 5.926,432 1.924,433 2.898,434 1.961,435 4.618,436 2.538,437 1.557,438 2.015,440 4.544,441 1.52,442 2.857,443 1.96,444 4.58,445 2.487,446 1.503,447 1.965,449 4.424,450 1.476,451 25.995,452 0.464,453 1.623,454 0.029,455 68.75,456 1.228,457 32,458 0.571,459 36.75,460 0.656,461 62.766,462 1.121,463 61.005,464 0.629,465 66.681,466 1.191,467 13.457,468 0.24,469 13.522,470 0.241,471 0.081,472 0.019,473 0.358,476 3,477 2,479 0.585,480 1.011,481 0.695,482 1.009,483 0.521,484 0.912,485 0.522,486 0.9,487 0.805,488 1.021,489 0.406,490 0.999,491 0.737,492 0.875,493 0.967,494 1.04,495 0.686,496 1.063,497 0.816,498 0.925,499 1.012,500 1.09,501 0.816,502 1.106,503 0.998,504 0.941,505 0.974,506 0.93,507 0.979,508 0.937,509 1.205,510 0.971,511 1.182,512 0.925,513 1.156,514 1.005,515 0.897,516 0.908,517 1.032,518 0.99,519 0.874,520 1.034,521 0.703,522 0.87,523 0.841,524 0.964,525 0.673,526 0.952,527 13,528 0.541,529 7.556,530 3.889,531 3.686,532 2.14,533 1.21,534 1.273,535 1.028,536 0.681,537 81301,538 240439,539 2.131,540 42.3,541 2,542 25,543 2,545 4,547 8,550 1.873,551 1.994,552 4.418,553 1.232,559 158.083,560 1.63,561 3.817,562 4.669,563 5.108,564 5.231,565 5.334,566 3.88,567 5.401,568 5.774,569 4.638,570 7142.33,571 10.284,572 170997,577 640.192,578 1.499,579 5.736,580 0.206,581 0.007,582 0.082,583 0.041,584 0.041,585 0.024,586 0.014,587 0.016,588 0.013,589 0.008,590 0.453,592 0.63,593 0.582,594 356.391,595 -0.04,596 -0.05,597 0.032,598 0.022,599 -0.039,600 0.045,601 0.198,602 0.085,603 0.022,604 -0.019,605 0.249,606 -0.042,607 -0.008,608 0.011,609 -0.062,610 -0.054,611 0.001,612 -0.069,613 -0.018,614 -0.057,615 -0.058,616 -0.107,617 -0.03,618 -0.099,619 -0.081,620 -0.05,621 0.038,622 0.035,623 -0.072,624 0.065,625 -0.083,626 0.108,627 -0.151,628 0.052,629 -0.062,630 -0.033,631 -0.057,632 0.005,633 -0.047,634 0.004,635 -0.061,636 -0.009,637 0.01,638 -0.081,639 0.131,640 0.015,641 0.023,642 0.084,643 5.631,644 6.681,645 0.75,646 107.783,647 1.015,648 1.138,649 4.802,650 23.061,651 0.669,652 4.159,653 4.533,654 4.812,655 5.088,656 5.342,657 5.451,658 5.624,659 5.838,660 5.969,661 6.111,662 12.811,663 0.65,664 768.9,665 4.159,666 5.74,667 6.605,668 7.502,669 8.382,670 9.279,671 10.166,672 11.064,673 11.954,674 12.854,675 6.2,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 97,716 34,717 4,718 63,720 104,721 43,722 28,723 10,724 14,725 2,730 8,731 10,736 1,740 4,741 2,742 1,743 5,745 30,746 13,747 2,750 2,755 2,759 2,762 5,764 41,765 11,766 4,767 13,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,815 2,819 6,825 5,827 56,833 9,834 2,837 3,838 2,839 1,846 5,847 2.1,850 2,854 28.083,855 17.031,856 11.833,857 5.995,858 5.88,859 1.549,860 1.033,861 10.84,862 16.586,863 4.407,864 5.027,865 5.609,866 6.192,867 6.706,868 7.01,869 7.383,870 7.789,871 7.977,872 8.337,873 0.938,874 94,875 21.466,877 10.093,878 8.037,879 39.467,881 34.192,883 2.537,884 142.083,888 435.531,889 234.53,890 75.841,892 50.29,893 74.801,895 234.53,896 485.821,897 150.642,899 56.688,900 150.762,901 59.699,902 126.344,903 57.751,904 411.989,905 7.76,906 435.531,907 310.371,908 125.09,911 371.282,912 189.339,915 104.267,916 206.104,919 510.331,920 126.131,921 234.53,924 443.29,925 76.008,926 157.011,927 69.593,928 125.09,929 435.531,930 200.932,931 234.53,933 0.597,934 0.344,935 0.18,936 0.101,937 46,938 21,939 0.087,940 9,941 2,942 1.095,943 6.288,944 640.981,945 0.095,946 42,947 304.457,951 38.05,952 15.954,953 8.478,954 3.652,955 167.361,956 25.597,958 6.573,961 3.086,963 69.593,964 870.992,965 81,970 25.497,974 -0.714,975 98.501,976 110.411,977 0.247,978 0.578,979 0.707,980 0.774,981 0.793,982 0.808,983 5.684,984 2.403,985 6.621,986 7.9,987 5.22,988 5.717,989 3.048,990 7.467,991 5.143,992 6.902,993 2.363,994 8.207,995 7.341,996 4.934,997 5.591,998 3.11,999 8.515,1000 4.762,1001 8.223,1002 2.268,1003 9.893,1004 6.816,1005 6.88,1006 7.924,1007 4.61,1008 11.575,1009 6.724,1010 9.576,1011 2.203,1012 11.641,1013 6.639,1014 7.391,1015 8.621,1016 5.469,1017 13.453,1018 7.144,1019 10.961,1020 2.093,1021 13.43,1022 6.561,1023 8.836,1024 10.458,1025 6.671,1026 16.082,1027 8.589,1028 12.367,1029 2.065,1030 15.249,1031 5.926,1032 9.7,1033 11.552,1034 7.722,1035 18.302,1036 9.374,1037 13.791,1038 1.557,1039 17.09,1040 5.926,1041 10.96,1042 13.188,1043 8.851,1044 20.805,1045 10.614,1046 3.382,1047 1.503,1048 18.95,1049 4.544,1050 11.989,1051 14.486,1052 9.943,1053 23.169,1054 11.573,1055 3.174,1056 12.268,1057 20.825,1058 4.424,1059 13.184,1060 16.037,1061 11.055,1062 25.639,1063 12.731,1064 3.17,1065 10.947,1066 22.713,1067 4.52,1068 14.291,1069 17.438,1070 12.157,1071 28.065,1072 13.773,1073 2.84,1074 10.946,1075 24.611,1076 4.52,1077 15.467,1078 18.956,1079 13.264,1080 30.531,1081 14.902,1082 2.839,1083 8.719,1084 26.519,1085 3.763,1086 16.612,1087 20.408,1088 14.368,1089 32.985,1090 15.983,1091 2.619,1092 8.719,1093 28.435,1094 3.763,1095 17.786,1096 21.914,1097 15.474,1098 35.456,1099 17.103,1100 2.583,1101 7.94,1102 30.357,1103 3.382,1104 18.95,1105 23.393,1106 16.579,1107 37.924,1108 18.205,1109 73931,1110 127417,1111 42.361,1112 64.859,1113 97.229,1114 98.362,1115 98.401,1116 96.476,1117 96.081,1118 122.286,1119 13.473,1120 286.493,1121 92.252,1122 5.587,1123 6.349,1124 6.666,1125 5.291,1126 5.382,1127 7.52,1128 4.53,1129 19.778,1130 5.141,1131 29.716,1132 1.543,1133 1.561,1134 1.562,1135 1.531,1136 1.525,1137 1.941,1138 0.214,1139 4.548,1140 1.464,1141 4.179,1142 4.215,1143 4.132,1144 4.091,1145 8.513,1146 4.097,1147 4.124,1148 4.158,1149 4.084,1150 4.043,1151 8.203,1152 4.049,1153 3.926,1154 3.952,1155 3.881,1156 3.849,1157 8.2,1158 3.851,1159 3.913,1160 3.951,1161 3.868,1162 3.835,1163 7.999,1164 3.838,1165 3.891,1166 3.937,1167 3.809,1168 3.724,1169 7.999,1170 3.731,1171 3.772,1172 3.834,1173 3.655,1174 3.641,1175 7.431,1176 3.636,1177 3.58,1178 3.629,1179 3.521,1180 3.413,1181 7.427,1182 3.426,1183 3.484,1184 3.541,1185 3.422,1186 3.293,1187 4.982,1188 3.314,1189 0.073,1190 0.069,1191 0.115,1192 0.067,1193 0.054,1194 4.587,1195 0.072,1196 4.349,1197 0.048,1198 7.252,1199 0.195,1200 4.246,1201 0.05,1202 3.382,1203 4.52,1204 3.02,1205 12.268,1206 3.141,1207 1.974,1208 1.948,1209 2.097,1210 2.088,1211 1.471,1212 2.093,1213 1.968,1214 1.944,1215 2.074,1216 2.061,1217 1.437,1218 2.064,1219 1.892,1220 1.866,1221 2.01,1222 2.032,1223 1.173,1224 2.026,1225 1.885,1226 1.862,1227 1.999,1228 1.993,1229 1.141,1230 1.999,1231 1.845,1232 1.797,1233 1.963,1234 1.961,1235 1.067,1236 1.963,1237 1.803,1238 1.751,1239 1.954,1240 1.951,1241 1.055,1242 1.954,1243 1.568,1244 1.516,1245 1.731,1246 1.775,1247 1.04,1248 1.76,1249 1.427,1250 1.361,1251 1.599,1252 1.659,1253 0.825,1254 1.645,1255 4.844,1257 6.205,1258 3.045,1259 7.745,1260 5.416,1261 9.364,1262 7.535,1263 11.024,1267 70.701,1271 4.174,1272 5.741,1275 -1.367,1276 3.526,1277 -4.381,1280 63.01,1281 158.083,1282 370.285,1283 452.914,1284 495.437,1285 507.437,1286 517.437,1287 149.529,1288 10.707,1289 96.26,1290 96.26,1291 46,1292 13.378,1293 5.129,1294 4.248,1295 80.093,1296 429,1297 461,1298 0.087,1299 372.005,1300 659.87,1301 899.452,1302 1106550,1303 5.2,1304 38.976,1305 0.696,1306 0.543,1307 34.735,1308 30.434,1309 26.979,1310 0.428,1311 0.3,1312 18.588,1313 25.853,1314 18.346,1315 14.974,1316 24.979,1317 18.873,1318 25.818,1319 0.281,1320 0.162,1321 22.579,1322 14.873,1323 21.483,1324 0.176,1325 0.093,1326 19.903,1327 11.403,1328 17.91,1329 0.111,1330 0.052,1331 16.879,1332 8.344,1333 14.94,1334 0.072,1335 0.03,1336 13.732,1337 6.169,1338 0.143,1339 169.92,1340 0.154,1341 47.997,1342 0.221,1343 310,1344 1108.65,1345 351.153,1346 944.592,1347 1249.06,1348 878,1349 369,1350 887.968,1351 403.423,1352 869.331,1353 1295.03,1354 821,1355 6} {0 CHEMBL456458,1 1.403,2 16.257,3 4.443,4 19.74,5 140.028,6 6.658,7 0.436,8 4.339,9 4.469,10 3.825,11 3.87,12 5.295,13 3.828,14 4.935,15 5.137,16 4.175,17 4.284,18 5.818,19 4.218,20 5.222,21 5.448,22 4.24,23 4.481,24 6.086,25 4.372,26 5.321,27 5.58,28 4.142,29 4.484,30 6.131,31 4.331,32 5.287,33 5.556,34 4.028,35 4.396,36 6.094,37 4.244,38 5.148,39 5.408,40 3.958,41 4.315,42 5.909,43 4.161,44 5.119,45 5.384,46 3.886,47 4.266,48 5.859,49 4.11,50 5.086,51 5.355,52 3.87,53 4.26,54 5.797,55 4.099,56 0.055,57 1.034,58 16.551,59 6.763,60 8.624,61 9.557,62 0.317,63 1.733,64 31.625,65 10.883,66 23.938,67 16.07,68 0.515,69 2.158,70 42.665,71 15.221,72 41.222,73 22.028,74 0.375,75 2.205,76 47.038,77 18.08,78 47.906,79 25.914,80 0.484,81 2.073,82 46.317,83 16.49,84 58.505,85 23.726,86 0.304,87 1.897,88 39.528,89 14.687,90 36.657,91 21.417,92 0.385,93 1.845,94 38.716,95 13.774,96 38.456,97 20.257,98 0.315,99 1.789,100 37.123,101 13.896,102 27.736,103 20.327,104 10,105 54,106 0.219,107 0.518,108 0.76,109 0.865,110 0.869,111 0.869,112 3.588,113 0.988,114 -4.18,115 -4.12,116 -3.9,119 40.8,120 1,121 3,122 1,124 1,125 7,140 9,141 2,142 2,144 2,156 1,169 12,171 1,172 10,178 15,181 3,182 7,189 11,192 1,193 8,199 11,203 10,211 5,215 12,222 3,225 1,226 7,233 4,236 1,237 5,244 6,249 7,256 8,259 2272,260 23.894,261 23.894,262 23.894,263 23.894,264 23.894,265 21.753,266 29.387,267 14.147,268 24.396,269 19.286,270 19.286,271 19.286,272 19.286,273 19.286,274 16.025,275 34.53,276 6.76,277 20.072,278 4.746,279 2.832,280 1.285,281 0.613,282 0.585,283 0.585,284 4.298,289 1,290 1257,291 3.082,295 576.613,299 180.3,302 2.578,303 22.399,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 74,315 569,316 4.516,317 3.781,318 6.517,319 4.026,320 3.054,321 4.458,322 1.989,323 10.248,324 2.968,325 4.265,326 3.185,327 6.47,328 3.99,329 3.033,330 3.766,331 0.86,332 10.036,333 2.902,334 3.878,335 2.953,336 5.637,337 3.693,338 2.714,339 3.17,340 0.835,341 7.829,342 2.66,343 3.718,344 2.834,345 5.393,346 3.461,347 2.503,348 3.134,349 0.8,350 7.07,351 2.401,352 3.622,353 2.612,354 5.321,355 3.291,356 2.343,357 2.674,358 0.543,359 6.716,360 2.22,361 3.365,362 2.585,363 5.198,364 3.194,365 2.254,366 2.625,368 6.473,369 2.115,370 3.293,371 2.541,372 4.942,373 2.984,374 2.027,375 2.485,377 5.777,378 1.925,379 3.114,380 2.168,381 4.813,382 2.845,383 1.886,384 2.22,386 5.291,387 1.801,388 3.004,389 2.066,390 4.651,391 2.699,392 1.695,393 2.135,395 4.719,396 1.688,397 2.985,398 1.602,399 4.196,400 2.512,401 1.524,402 2.034,404 3.817,405 1.504,406 2.682,407 1.519,408 3.946,409 2.288,410 1.303,411 1.747,413 3.211,414 1.279,415 2.49,416 1.455,417 3.527,418 2.154,419 1.22,420 1.487,422 2.712,423 1.128,424 2.318,425 1.155,426 3.482,427 2.066,428 1.086,429 1.282,431 2.524,432 1.062,433 2.136,434 1.077,435 3.414,436 1.984,437 1,438 1.08,440 2.275,441 0.983,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.767,452 0.479,453 0.797,454 0.023,455 41.5,456 1.186,457 18.5,458 0.529,459 23,460 0.657,461 34.643,462 0.99,463 38.433,464 0.541,465 30.527,466 0.872,467 7.937,468 0.227,469 9.11,470 0.26,471 0.08,473 0.31,479 0.788,480 1.483,481 0.876,482 1.215,483 0.591,484 1.078,485 1.172,486 1.099,487 0.987,488 0.947,489 0.64,490 0.933,491 1.172,492 0.984,493 1.118,494 1.026,495 1.015,496 1.055,497 0.848,498 1.063,499 0.964,500 1.111,501 0.9,502 1.066,503 1.354,504 0.897,505 1.028,506 0.92,507 1.499,508 0.945,509 0.922,510 1.111,511 1.021,512 1.097,513 0.77,514 1.077,515 1.071,516 1.009,517 1.082,518 1.016,519 0.991,520 1.045,521 0.794,522 0.966,523 1.002,524 1.02,525 0.739,526 1.03,527 7,528 0.223,529 3.556,530 2.188,531 1.644,532 0.868,533 0.724,534 0.448,535 0.237,536 0.228,537 22651,538 48184,539 2.141,540 50.7,541 3,542 26,546 3,547 4,550 1.759,551 2.039,552 3.927,553 -0.822,559 99.633,560 1.403,561 3.318,562 4.864,563 5.537,564 5.565,565 5.565,566 3.34,567 5.015,568 5.104,569 4.144,570 2465.75,571 8.91,572 41929.8,577 436.632,578 1.271,579 5.076,580 0.179,581 0.008,582 0.066,583 0.04,584 0.034,585 0.02,586 0.018,587 0.012,588 0.006,589 0.007,590 0.392,591 0.5,592 0.75,593 0.45,594 195.189,595 0.037,596 -0.255,597 0.084,598 -0.094,599 0.016,600 -0.017,601 -0.049,602 0.055,603 0.018,604 0.057,605 0.048,606 0.05,607 -0.03,608 0.089,609 -0.118,610 -0.028,611 -0.029,612 -0.072,613 0.062,614 -0.113,615 0.006,616 -0.097,617 0.082,618 -0.058,619 -0.128,620 0.036,621 -0.023,622 0.056,623 -0.13,624 0.03,625 -0.036,626 -0.136,627 -0.048,628 -0.096,629 -0.026,630 -0.078,631 -0.09,632 -0.021,633 -0.095,634 -0.039,635 -0.118,636 -0.066,637 -0.018,638 0.014,639 -0.037,640 -0.024,641 -0.032,642 -0.031,643 1.471,644 5.463,645 0.8,646 43.626,647 0.989,648 1.128,649 2.948,650 8.692,651 0.649,652 3.689,653 4.007,654 4.263,655 4.522,656 4.754,657 4.771,658 4.828,659 4.949,660 5.004,661 5.081,662 9.392,663 0.605,664 472.69,665 3.689,666 5.231,667 6.075,668 6.946,669 7.802,670 8.675,671 9.534,672 10.408,673 11.269,674 12.143,675 5.6,678 2,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 71,716 18,717 2,718 39,720 75,721 29,722 15,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 3,745 16,746 13,747 1,750 1,755 1,759 1,764 36,765 6,767 6,773 4,777 0.8,778 2,786 1,793 5,797 1,806 1,815 2,819 4,823 2,827 35,833 10,835 1,837 1,838 3,847 2.8,850 1,852 1,854 17.167,855 13.217,856 7.611,857 4.514,858 3.444,859 1.406,860 0.986,861 7.549,862 11.924,863 3.902,864 4.454,865 4.985,866 5.547,867 6.075,868 6.278,869 6.553,870 6.869,871 7.076,872 6.904,873 0.909,874 55,875 13.022,877 5.501,878 7.486,879 25.843,881 21.78,883 1.986,884 69.5,888 423.76,889 150.702,890 26.158,892 36.145,895 150.702,896 459.904,897 26.158,898 17.222,899 27.955,900 85.286,901 46.635,902 35.908,904 423.76,906 423.76,907 176.861,908 36.145,911 376.675,912 83.229,915 47.929,916 112.146,917 16.786,919 423.76,920 62.303,921 150.702,924 423.76,925 48.194,926 111.881,928 52.93,929 423.76,930 62.303,931 150.702,933 0.581,934 0.335,935 0.184,936 0.102,937 26,938 11,939 0.093,940 7,941 1,942 1.071,943 4.782,944 320.696,945 0.071,946 28,947 169.525,951 24.088,952 10.969,953 5.965,954 2.071,955 62.303,956 18.855,957 4.604,961 4.338,964 636.765,965 48.5,970 12.463,974 0.196,975 70.199,976 80.055,977 0.228,978 0.54,979 0.791,980 0.9,981 0.905,982 0.905,983 5.149,984 1.886,985 6.047,986 5.777,987 4.691,988 5.142,989 2.454,990 6.825,991 4.617,992 6.32,993 1.695,994 7.582,995 5.291,996 4.205,997 4.879,998 1.803,999 7.636,1000 4.088,1001 7.605,1002 1.524,1003 9.213,1004 4.719,1005 6.256,1006 7.267,1007 3.179,1008 10.721,1009 6.109,1010 8.92,1011 1.303,1012 10.9,1013 3.817,1014 6.567,1015 7.849,1016 3.237,1017 12.373,1018 6.377,1019 10.269,1020 1.22,1021 12.626,1022 3.211,1023 8.078,1024 9.735,1025 4.317,1026 14.967,1027 7.862,1028 11.641,1029 1.086,1030 14.379,1031 2.712,1032 8.781,1033 10.752,1034 4.691,1035 16.991,1036 8.526,1037 13.033,1038 1,1039 16.152,1040 2.524,1041 10.057,1042 12.419,1043 5.596,1044 19.41,1045 9.775,1046 3.054,1047 0.865,1048 17.942,1049 2.275,1050 10.961,1051 13.666,1052 6.118,1053 21.599,1054 10.64,1055 3.033,1056 10.248,1057 19.746,1058 1.999,1059 12.133,1060 15.231,1061 6.925,1062 23.954,1063 11.784,1064 2.714,1065 10.036,1066 21.561,1067 4.458,1068 13.137,1069 16.597,1070 7.524,1071 26.214,1072 12.751,1073 2.503,1074 7.829,1075 23.384,1076 3.766,1077 14.265,1078 18.116,1079 8.277,1080 28.545,1081 13.849,1082 2.343,1083 7.07,1084 25.216,1085 3.17,1086 15.319,1087 19.544,1088 8.915,1089 30.837,1090 14.867,1091 2.254,1092 6.716,1093 27.054,1094 3.134,1095 16.431,1096 21.043,1097 9.639,1098 33.16,1099 15.946,1100 2.027,1101 6.473,1102 28.898,1103 2.674,1104 17.51,1105 22.501,1106 10.3,1107 35.466,1108 16.991,1109 20874,1110 30582,1111 26.641,1112 46.114,1113 57.801,1114 59.033,1115 58.925,1116 57.577,1117 57.517,1118 71.137,1119 10.052,1120 162.633,1121 55.419,1122 5.516,1123 5.781,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 3.465,1129 17.078,1130 4.968,1131 14.674,1132 1.482,1133 1.514,1134 1.511,1135 1.476,1136 1.475,1137 1.824,1138 0.258,1139 4.17,1140 1.421,1141 4.081,1142 4.109,1143 4.04,1144 4.002,1145 7.427,1146 4.008,1147 3.996,1148 4.035,1149 3.928,1150 3.909,1151 5.016,1152 3.907,1153 3.849,1154 3.912,1155 3.738,1156 3.694,1157 4.735,1158 3.694,1159 3.735,1160 3.792,1161 3.634,1162 3.556,1163 4.58,1164 3.569,1165 3.549,1166 3.595,1167 3.447,1168 3.43,1169 4.328,1170 3.426,1171 3.44,1172 3.504,1173 3.293,1174 3.276,1175 4.285,1176 3.272,1177 3.222,1178 3.305,1179 3.088,1180 3.006,1181 4.211,1182 3.007,1183 3.142,1184 3.206,1185 3.009,1186 2.948,1187 3.893,1188 2.947,1189 0.116,1190 0.097,1191 0.167,1192 0.103,1193 0.078,1194 4.516,1195 0.114,1196 3.781,1197 0.051,1198 6.517,1199 0.263,1200 4.026,1201 0.076,1202 3.054,1203 4.458,1204 1.989,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.116,1210 2.125,1211 1.478,1212 2.121,1213 1.965,1214 1.931,1215 2.103,1216 2.086,1217 1.237,1218 2.094,1219 1.822,1220 1.765,1221 1.999,1222 2.013,1223 1.221,1224 2.013,1225 1.691,1226 1.629,1227 1.892,1228 1.883,1229 1.116,1230 1.892,1231 1.538,1232 1.493,1233 1.751,1234 1.709,1235 0.992,1236 1.723,1237 1.437,1238 1.373,1239 1.697,1240 1.622,1241 0.825,1242 1.652,1243 1.189,1244 1.106,1245 1.536,1246 1.459,1247 0.805,1248 1.484,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.73,1254 1.429,1255 4.369,1257 5.687,1259 7.2,1261 8.802,1263 10.449,1265 4.022,1271 9.559,1273 6.154,1275 0.693,1276 6.546,1280 42.944,1281 99.633,1282 235.582,1283 345.374,1284 393.122,1285 395.122,1286 395.122,1287 55.462,1288 8.48,1289 48.91,1290 48.91,1291 30,1292 12.686,1293 4.248,1294 3.392,1295 52.753,1296 204,1297 172,1298 0.124,1299 260.804,1300 453.58,1301 628.123,1302 76295,1304 24.2,1305 0.691,1306 0.599,1307 24.2,1308 20.95,1309 17.047,1310 0.437,1311 0.329,1312 12.688,1313 16.469,1314 12.326,1315 10.186,1316 17.047,1317 12.844,1318 15.439,1319 0.286,1320 0.186,1321 15.439,1322 10.066,1323 12.806,1324 0.183,1325 0.105,1326 12.806,1327 7.362,1328 10.91,1329 0.12,1330 0.058,1331 10.91,1332 5.302,1333 8.881,1334 0.077,1335 0.034,1336 8.881,1337 3.896,1338 0.205,1339 106.022,1340 0.194,1341 33.194,1342 0.314,1343 186,1344 454.052,1345 200.389,1346 439.667,1347 610.22,1348 416,1349 217,1350 451.302,1351 232.639,1352 458.959,1353 670.85,1354 432,1355 8.4} {0 CHEMBL456459,1 1.265,2 15.515,3 6.597,4 43.52,5 135.575,6 6.718,7 0.622,8 4.243,9 4.363,10 3.742,11 3.855,12 5.213,13 3.799,14 4.803,15 4.982,16 4.071,17 4.256,18 5.695,19 4.173,20 5.097,21 5.322,22 4.113,23 4.416,24 5.913,25 4.292,26 5.159,27 5.412,28 4.002,29 4.396,30 5.909,31 4.235,32 5.143,33 5.409,34 3.923,35 4.338,36 5.865,37 4.173,38 5.055,39 5.314,40 3.838,41 4.265,42 5.778,43 4.096,44 5.005,45 5.275,46 3.772,47 4.2,48 5.7,49 4.031,50 4.928,51 5.182,52 3.739,53 4.175,54 5.631,55 4.006,56 0.064,57 0.856,58 14.546,59 6.451,60 10.215,61 8.861,62 0.182,63 1.476,64 26.695,65 10.801,66 21.594,67 15.043,68 0.325,69 1.921,70 36.797,71 14.596,72 32.758,73 20.536,74 0.291,75 1.968,76 39.381,77 16.456,78 33.268,79 23.119,80 0.283,81 1.914,82 39.197,83 15.993,84 33.469,85 22.398,86 0.239,87 1.786,88 35.62,89 14.534,90 30.616,91 20.527,92 0.274,93 1.715,94 34.127,95 13.598,96 27.654,97 19.326,98 0.185,99 1.588,100 31.036,101 12.934,102 22.01,103 18.372,104 2,105 50,106 0.2,107 0.489,108 0.689,109 0.82,110 0.85,111 0.857,112 3.531,113 0.981,114 -5.92,115 -5.77,116 -5.37,119 46.2,120 1,121 3,122 1,125 4,140 14,141 4,142 1,144 2,169 21,172 8,178 27,181 1,182 5,189 24,192 1,193 4,199 23,203 5,211 18,215 6,222 13,225 1,226 5,233 12,237 3,244 11,249 7,256 10,259 1931,260 22.947,261 22.947,262 22.947,263 22.947,264 22.947,265 20.223,266 17.784,267 13.856,268 23.26,269 18.335,270 18.335,271 18.335,272 18.335,273 18.335,274 14.357,275 16.835,276 6.642,277 18.834,278 4.757,279 2.93,280 1.66,281 0.829,282 0.639,283 0.596,284 4.247,289 1,290 1141,291 2.915,295 538.248,299 167.044,302 2.498,303 13.779,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 68,315 512,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.268,326 2.98,327 6.17,328 3.904,329 2.905,330 3.915,331 0.8,332 9.188,333 2.904,334 3.824,335 2.865,336 5.599,337 3.655,338 2.68,339 3.282,341 7.717,342 2.625,343 3.718,344 2.636,345 5.338,346 3.372,347 2.411,348 3.17,350 6.925,351 2.314,352 3.593,353 2.584,354 5.306,355 3.284,356 2.332,357 2.67,359 6.707,360 2.217,361 3.304,362 2.178,363 4.964,364 3.047,365 2.071,366 2.625,368 5.881,369 2.009,370 3.258,371 2.097,372 4.813,373 2.847,374 1.888,375 2.479,377 5.291,378 1.803,379 3.058,380 1.77,381 4.369,382 2.72,383 1.723,384 2.22,386 4.296,387 1.718,388 2.989,389 1.597,390 4.196,391 2.512,392 1.524,393 2.124,395 3.817,396 1.504,397 2.728,398 1.462,399 3.549,400 2.278,401 1.284,402 1.824,404 2.819,405 1.277,406 2.5,407 1.304,408 3.52,409 2.153,410 1.216,411 1.5,413 2.702,414 1.128,415 2.5,416 1.077,417 3.429,418 2,419 1,420 1.5,422 2.387,423 1,424 2.49,425 1,426 3.414,427 2,428 1,429 1.487,431 2.275,432 1,433 2.136,434 1,435 3.312,436 1.984,437 1,438 1.08,440 2.136,441 0.983,442 2,443 0.963,444 3.247,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.133,452 0.489,453 0.602,454 0.018,455 42.75,456 1.295,457 22.5,458 0.682,459 20.25,460 0.614,461 29.242,462 0.886,463 34.267,464 0.527,465 29.348,466 0.889,467 8.19,468 0.248,469 8.052,470 0.244,471 0.031,473 0.273,479 0.857,480 1.181,481 0.877,482 1.05,483 0.853,484 0.978,485 1.361,486 1.093,487 1.02,488 1.005,489 0.935,490 0.988,491 1.324,492 0.984,493 1.085,494 0.994,495 1.075,496 1.015,497 0.929,498 1.029,499 1.011,500 1.067,501 0.844,502 1.051,503 1.276,504 0.939,505 0.989,506 0.953,507 1.123,508 0.958,509 1.114,510 1.082,511 1.061,512 1.065,513 1.104,514 1.063,515 1.127,516 0.952,517 1.031,518 0.96,519 1.05,520 0.985,521 0.846,522 1.096,523 1.059,524 1.09,525 0.954,526 1.09,527 5.5,528 0.161,529 2.889,530 1.563,531 1.262,532 0.674,533 0.604,534 0.307,535 0.151,536 0.178,537 19733,538 39926,539 2.187,540 49.2,541 3,542 22,546 3,547 4,550 1.744,551 2.129,552 3.879,553 -0.901,559 82.247,560 1.265,561 3.093,562 4.362,563 5.194,564 5.384,565 5.426,566 3.363,567 4.537,568 5.019,569 4.086,570 2157.45,571 8.739,572 35112.6,577 391.454,578 1.027,579 5.01,580 0.149,581 0.007,582 0.058,583 0.031,584 0.029,585 0.017,586 0.017,587 0.009,588 0.005,589 0.006,590 0.327,591 0.5,592 0.75,593 0.306,594 180.759,595 0.064,596 -0.091,597 0.075,598 -0.019,599 0.057,600 0.02,601 -0.081,602 -0.017,603 -0.032,604 -0.017,605 0.068,606 -0.019,607 -0.036,608 0.05,609 -0.086,610 -0.02,611 0.001,612 -0.049,613 0.093,614 -0.067,615 -0.028,616 -0.075,617 0.114,618 -0.061,619 -0.058,620 0.012,621 0.01,622 0.031,623 -0.079,624 0.025,625 -0.051,626 -0.111,627 -0.071,628 -0.084,629 -0.134,630 -0.082,631 -0.039,632 0.034,633 -0.034,634 0.009,635 -0.123,636 -0.011,637 -0.037,638 -0.117,639 -0.087,640 -0.101,641 -0.135,642 -0.099,643 0.781,644 2.658,645 0.848,646 39.409,647 0.981,648 1.114,649 4.688,650 21.978,651 0.675,652 3.638,653 3.932,654 4.19,655 4.443,656 4.682,657 4.663,658 4.762,659 4.852,660 4.927,661 4.97,662 9.032,663 0.626,664 436.64,665 3.638,666 5.165,667 6.004,668 6.864,669 7.715,670 8.578,671 9.433,672 10.297,673 11.154,674 12.019,675 3.1,678 1,685 1,687 2,688 14,689 1,693 5,695 23,712 1,714 65,716 23,717 3,718 37,720 69,721 30,722 21,723 6,724 12,730 5,731 6,736 1,740 2,741 1,743 3,745 21,746 9,747 1,764 32,765 3,767 3,773 2,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,827 33,833 7,835 1,837 1,838 1,847 1.5,852 1,854 15.5,855 11.817,856 7.25,857 4.171,858 4.308,859 1.519,860 1.008,861 6.807,862 12.609,863 3.902,864 4.483,865 5.063,866 5.647,867 6.215,868 6.387,869 6.734,870 7.048,871 7.317,872 7.219,873 1,874 50,875 12.225,877 5.123,878 7.379,879 24.429,881 20.556,883 1.879,884 62,888 376.675,889 182.28,890 19.91,892 11,895 182.28,896 387.675,897 19.91,898 8.825,899 18.513,900 132.667,901 16.786,902 36.398,904 376.675,906 376.675,907 202.19,908 11,911 329.591,912 58.084,915 35.363,916 150.041,917 16.786,919 376.675,920 30.91,921 182.28,924 376.675,925 40.787,926 144.617,928 27.785,929 376.675,930 30.91,931 182.28,933 0.572,934 0.33,935 0.183,936 0.103,937 24,938 9,939 0.101,940 7,941 1,942 1.071,943 4.699,944 294.095,945 0.071,946 28,947 153.71,951 21.825,952 10.292,953 5.5,954 2.101,955 30.91,956 30.052,957 4.609,961 6.049,964 589.865,965 48.5,975 63.785,976 72.434,977 0.21,978 0.514,979 0.724,980 0.862,981 0.894,982 0.901,983 5.116,984 1.723,985 5.953,986 5.291,987 4.615,988 5.17,989 1.235,990 6.708,991 4.566,992 6.291,993 1.524,994 7.468,995 4.296,996 4.007,997 4.796,998 0.325,999 7.466,1000 3.931,1001 7.57,1002 1.284,1003 9.08,1004 3.817,1005 6.151,1006 7.341,1007 0.938,1008 10.556,1009 6.058,1010 8.884,1011 1.216,1012 10.753,1013 2.819,1014 6.382,1015 7.849,1016 0.268,1017 12.18,1018 6.266,1019 10.232,1020 1,1021 12.466,1022 2.702,1023 7.946,1024 9.831,1025 0.732,1026 14.757,1027 7.817,1028 11.606,1029 1,1030 14.207,1031 2.387,1032 8.595,1033 10.799,1034 0.188,1035 16.756,1036 8.446,1037 13,1038 1,1039 15.97,1040 2.275,1041 9.897,1042 12.516,1043 0.57,1044 19.153,1045 9.734,1046 3.054,1047 0.865,1048 17.749,1049 2.136,1050 10.762,1051 13.731,1052 0.125,1053 21.321,1054 10.582,1055 2.905,1056 10.248,1057 19.541,1058 1.999,1059 11.942,1060 15.32,1061 0.438,1062 23.655,1063 11.747,1064 2.68,1065 9.188,1066 21.343,1067 4.458,1068 12.92,1069 16.667,1070 0.082,1071 25.898,1072 12.706,1073 2.411,1074 7.717,1075 23.155,1076 3.915,1077 14.046,1078 18.195,1079 0.334,1080 28.212,1081 13.816,1082 2.332,1083 6.925,1084 24.974,1085 3.282,1086 15.081,1087 19.609,1088 0.054,1089 30.491,1090 14.832,1091 2.071,1092 6.707,1093 26.799,1094 3.17,1095 16.185,1096 21.111,1097 0.252,1098 32.801,1099 15.919,1100 1.888,1101 5.881,1102 28.63,1103 2.67,1104 17.249,1105 22.56,1106 0.035,1107 35.097,1108 16.962,1109 18015,1110 25757,1111 25.83,1112 43.887,1113 54.587,1114 54.68,1115 54.886,1116 54.429,1117 54.402,1118 71.21,1119 3.32,1120 150.011,1121 53.044,1122 5.516,1123 5.185,1124 6.319,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 8.232,1132 1.475,1133 1.478,1134 1.483,1135 1.471,1136 1.47,1137 1.925,1138 0.09,1139 4.054,1140 1.434,1141 4.083,1142 4.11,1143 4.041,1144 4.01,1145 5.017,1146 4.013,1147 4.015,1148 4.043,1149 3.956,1150 3.965,1151 4.835,1152 3.96,1153 3.868,1154 3.922,1155 3.76,1156 3.764,1157 4.608,1158 3.755,1159 3.735,1160 3.776,1161 3.643,1162 3.641,1163 4.579,1164 3.635,1165 3.548,1166 3.594,1167 3.447,1168 3.43,1169 4.327,1170 3.426,1171 3.437,1172 3.501,1173 3.29,1174 3.277,1175 4.211,1176 3.272,1177 3.156,1178 3.22,1179 3.024,1180 3.001,1181 3.888,1182 2.995,1183 3.111,1184 3.206,1185 2.904,1186 2.941,1187 3.794,1188 2.921,1189 0.122,1190 0.086,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.185,1197 0.023,1198 6.517,1199 0.277,1200 4.026,1201 0.08,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.13,1210 2.125,1211 1.479,1212 2.122,1213 2.009,1214 1.985,1215 2.106,1216 2.085,1217 1.224,1218 2.101,1219 1.867,1220 1.819,1221 2.043,1222 2.006,1223 1.205,1224 2.021,1225 1.737,1226 1.695,1227 1.896,1228 1.849,1229 1.053,1230 1.867,1231 1.538,1232 1.493,1233 1.75,1234 1.706,1235 0.951,1236 1.721,1237 1.436,1238 1.372,1239 1.696,1240 1.619,1241 0.825,1242 1.649,1243 1.153,1244 1.089,1245 1.513,1246 1.376,1247 0.805,1248 1.429,1249 1.152,1250 1.064,1251 1.441,1252 1.36,1253 0.686,1254 1.389,1255 4.317,1257 5.617,1259 7.117,1261 8.707,1263 10.341,1265 2.024,1271 7.696,1273 6.158,1275 0.764,1276 2.546,1280 40.66,1281 82.247,1282 201.034,1283 283.522,1284 337.58,1285 349.944,1286 352.699,1287 42.817,1288 8.301,1289 25.36,1290 25.36,1291 30,1292 12.567,1293 4.585,1294 3.644,1295 48.336,1296 185,1297 151,1298 0.125,1299 246.957,1300 423.91,1301 594.336,1302 61231,1304 22.46,1305 0.681,1306 0.588,1307 22.46,1308 19.413,1309 16.242,1310 0.439,1311 0.327,1312 12.023,1313 15.936,1314 11.697,1315 9.697,1316 16.242,1317 12.104,1318 14.277,1319 0.286,1320 0.184,1321 14.277,1322 9.179,1323 12.019,1324 0.185,1325 0.104,1326 12.019,1327 6.762,1328 10.166,1329 0.121,1330 0.058,1331 10.166,1332 4.895,1333 8.526,1334 0.08,1335 0.034,1336 8.526,1337 3.621,1338 0.207,1339 99.383,1340 0.197,1341 31.69,1342 0.317,1343 174,1344 381.026,1345 181.678,1346 380.282,1347 539.93,1348 362,1349 202,1350 407.384,1351 210.206,1352 419.053,1353 610.43,1354 397,1355 8.1} {0 CHEMBL456460,1 1.344,2 14.906,3 5.701,4 32.499,5 128.089,6 6.881,7 0.611,8 4.21,9 4.324,10 3.73,11 3.792,12 5.202,13 3.751,14 4.774,15 4.948,16 4.06,17 4.197,18 5.683,19 4.13,20 5.042,21 5.263,22 4.063,23 4.344,24 5.863,25 4.227,26 5.114,27 5.363,28 3.986,29 4.337,30 5.88,31 4.186,32 5.111,33 5.374,34 3.892,35 4.271,36 5.845,37 4.115,38 5,39 5.256,40 3.797,41 4.179,42 5.733,43 4.021,44 4.949,45 5.214,46 3.725,47 4.114,48 5.656,49 3.956,50 4.858,51 5.104,52 3.719,53 4.093,54 5.589,55 3.94,56 0.049,57 0.83,58 13.753,59 6.154,60 10.023,61 8.211,62 0.2,63 1.42,64 25.781,65 10.229,66 21.819,67 13.911,68 0.329,69 1.807,70 34.718,71 13.575,72 31.119,73 18.951,74 0.283,75 1.862,76 37.731,77 15.491,78 32.815,79 21.69,80 0.324,81 1.817,82 38.474,83 15.109,84 34.958,85 21.036,86 0.254,87 1.662,88 34.003,89 13.413,90 30.528,91 18.857,92 0.321,93 1.589,94 32.728,95 12.454,96 28.769,97 17.561,98 0.194,99 1.465,100 29.071,101 11.776,102 20.898,103 16.574,104 2,105 49,106 0.215,107 0.533,108 0.761,109 0.866,110 0.871,111 0.871,112 3.501,113 0.965,114 -4.79,115 -4.71,116 -4.42,119 45.2,120 1,121 3,122 1,125 4,140 10,141 4,142 1,144 2,149 2,169 16,172 10,178 20,181 1,182 6,189 17,192 1,193 6,199 16,203 7,211 10,215 8,222 6,225 1,226 6,233 6,237 5,244 6,249 6,256 8,259 1790,260 22.239,261 22.239,262 22.239,263 22.239,264 22.239,265 19.646,266 17.784,267 13.356,268 22.553,269 17.835,270 17.835,271 17.835,272 17.835,273 17.835,274 14.024,275 16.835,276 6.392,277 18.334,278 4.61,279 2.614,280 1.185,281 0.528,282 0.496,283 0.496,284 4.216,289 1,290 1067,291 2.915,294 93.576,295 409.912,299 160.904,302 2.367,303 15.436,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 477,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.276,326 2.982,327 6.173,328 3.911,329 2.911,330 3.928,331 0.8,332 9.195,333 2.91,334 3.832,335 2.868,336 5.6,337 3.657,338 2.682,339 3.296,341 7.718,342 2.628,343 3.718,344 2.641,345 5.339,346 3.375,347 2.415,348 3.17,350 6.927,351 2.318,352 3.594,353 2.586,354 5.307,355 3.284,356 2.332,357 2.663,359 6.707,360 2.217,361 3.302,362 2.179,363 4.965,364 3.048,365 2.072,366 2.623,368 5.886,369 2.009,370 3.239,371 2.098,372 4.813,373 2.846,374 1.887,375 2.429,377 5.291,378 1.802,379 3.024,380 1.735,381 4.382,382 2.676,383 1.678,384 2.219,386 4.32,387 1.673,388 2.987,389 1.596,390 4.196,391 2.512,392 1.523,393 2.092,395 3.817,396 1.504,397 2.676,398 1.461,399 3.53,400 2.22,401 1.241,402 1.754,404 2.724,405 1.217,406 2.49,407 1.235,408 3.499,409 2.15,410 1.197,411 1.487,413 2.635,414 1.126,415 2.282,416 1.077,417 3.414,418 1.984,419 1,420 1.177,422 2.275,423 0.983,424 2.136,425 0.963,426 3.313,427 1.836,428 0.865,429 1.079,431 2,432 0.836,433 2.118,434 0.794,435 3.246,436 1.792,437 0.792,438 1,440 1.909,441 0.792,442 2,443 0.618,444 3,445 1.618,446 0.618,447 0.927,449 1.372,450 0.618,451 15.467,452 0.483,453 0.602,454 0.019,455 40.75,456 1.273,457 20.5,458 0.641,459 20.25,460 0.633,461 28.358,462 0.886,463 33.733,464 0.544,465 27.694,466 0.865,467 7.833,468 0.245,469 7.909,470 0.247,471 0.032,473 0.284,479 0.851,480 1.236,481 0.842,482 1.095,483 0.778,484 0.987,485 1.282,486 1.077,487 1.001,488 0.98,489 0.939,490 0.96,491 1.047,492 0.999,493 1.085,494 1.013,495 0.975,496 1.039,497 0.733,498 1.04,499 0.972,500 1.08,501 0.718,502 1.056,503 1.113,504 0.945,505 0.989,506 0.96,507 1.064,508 0.966,509 0.963,510 1.093,511 1.039,512 1.073,513 1.01,514 1.066,515 1.096,516 0.928,517 1.041,518 0.934,519 1.072,520 0.974,521 0.815,522 1.118,523 1.047,524 1.107,525 0.926,526 1.101,527 5.5,528 0.149,529 2.889,530 1.403,531 1.321,532 0.604,533 0.584,534 0.286,535 0.16,536 0.176,537 18219,538 39614,539 2.194,540 48.4,541 3,542 18,543 2,546 3,547 4,550 1.736,551 2.133,552 3.825,553 -0.867,559 83.348,560 1.344,561 3.34,562 4.769,563 5.426,564 5.458,565 5.458,566 3.243,567 4.664,568 4.975,569 4.043,570 2005.14,571 8.649,572 31821.4,577 369.16,578 1.043,579 4.964,580 0.153,581 0.007,582 0.059,583 0.03,584 0.031,585 0.016,586 0.017,587 0.009,588 0.005,589 0.007,590 0.333,591 0.33,592 0.88,593 0.313,594 173.452,595 0.039,596 -0.128,597 0.082,598 -0.049,599 0.096,600 0.009,601 -0.11,602 0.007,603 -0.027,604 0.013,605 0.049,606 0.004,607 -0.054,608 0.041,609 -0.109,610 -0.034,611 -0.022,612 -0.067,613 0.08,614 -0.078,615 -0.004,616 -0.084,617 0.142,618 -0.057,619 -0.056,620 -0.002,621 0.008,622 0.022,623 -0.072,624 0.02,625 -0.037,626 -0.125,627 -0.056,628 -0.092,629 -0.098,630 -0.08,631 -0.073,632 0.054,633 -0.043,634 0.03,635 -0.146,637 -0.029,638 -0.135,639 -0.082,640 -0.117,641 -0.121,642 -0.107,643 0.787,644 2.644,645 0.844,646 36.938,647 0.988,648 1.117,649 3.564,650 12.705,651 0.671,652 3.611,653 3.912,654 4.174,655 4.431,656 4.625,657 4.644,658 4.727,659 4.82,660 4.883,661 4.927,662 8.8,663 0.627,664 426.6,665 3.611,666 5.142,667 5.984,668 6.847,669 7.7,670 8.566,671 9.423,672 10.289,673 11.148,674 12.014,675 3.2,678 1,685 1,687 2,688 12,689 1,691 1,693 5,695 22,712 1,714 62,716 22,717 2,718 36,720 66,721 28,722 19,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 3,745 19,746 9,747 1,763 1,764 30,765 4,767 4,773 2,777 0.8,778 2,786 1,792 1,793 4,797 1,815 1,819 4,823 1,827 32,833 7,835 1,837 1,838 1,847 3.2,852 2,854 15,855 11.317,856 7,857 3.949,858 4.025,859 1.491,860 1.005,861 6.45,862 12.223,863 3.871,864 4.457,865 5.041,866 5.629,867 6.12,868 6.362,869 6.678,870 6.987,871 7.222,872 7.071,873 0.9,874 47,875 11.844,877 4.981,878 7.422,879 23.55,881 19.812,883 1.922,884 61.5,888 353.133,889 167.854,890 19.91,892 20.507,895 167.854,896 373.64,897 19.91,898 8.825,899 18.513,900 118.241,901 16.786,902 45.906,903 23.542,904 329.591,906 353.133,907 187.764,908 20.507,911 306.049,912 67.592,915 35.363,916 135.615,917 16.786,919 353.133,920 40.417,921 167.854,924 353.133,925 40.787,926 130.191,928 37.293,929 353.133,930 40.417,931 167.854,933 0.574,934 0.333,935 0.184,936 0.098,937 24,938 9,939 0.106,940 7,941 1,942 1.074,943 4.621,944 282.968,945 0.074,946 27,947 154,951 21.087,952 9.788,953 5.184,954 2.092,955 40.417,956 24.731,957 4.602,959 5.238,961 5.779,964 561.404,965 47,975 61.229,976 69.228,977 0.226,978 0.561,979 0.801,980 0.911,981 0.917,982 0.917,983 5.091,984 1.678,985 5.938,986 5.291,987 4.595,988 5.145,989 1.235,990 6.698,991 4.545,992 6.268,993 1.523,994 7.456,995 4.32,996 4.007,997 4.796,998 0.325,999 7.466,1000 3.931,1001 7.55,1002 1.241,1003 9.072,1004 3.817,1005 6.138,1006 7.321,1007 0.938,1008 10.554,1009 6.043,1010 8.869,1011 1.197,1012 10.748,1013 2.724,1014 6.399,1015 7.878,1016 0.268,1017 12.184,1018 6.285,1019 10.222,1020 1,1021 12.463,1022 2.635,1023 7.939,1024 9.816,1025 0.732,1026 14.757,1027 7.808,1028 11.599,1029 0.865,1030 14.206,1031 2.275,1032 8.611,1033 10.826,1034 0.188,1035 16.758,1036 8.464,1037 12.997,1038 0.792,1039 15.969,1040 2,1041 9.895,1042 12.508,1043 0.57,1044 19.154,1045 9.733,1046 3.054,1047 0.618,1048 17.749,1049 1.909,1050 10.775,1051 13.752,1052 0.125,1053 21.322,1054 10.597,1055 2.911,1056 10.248,1057 19.541,1058 1.372,1059 11.946,1060 15.318,1061 0.438,1062 23.656,1063 11.752,1064 2.682,1065 9.195,1066 21.344,1067 4.458,1068 12.931,1069 16.681,1070 0.082,1071 25.9,1072 12.721,1073 2.415,1074 7.718,1075 23.156,1076 3.928,1077 14.053,1078 18.197,1079 0.334,1080 28.214,1081 13.825,1082 2.332,1083 6.927,1084 24.975,1085 3.296,1086 15.092,1087 19.62,1088 0.054,1089 30.493,1090 14.846,1091 2.072,1092 6.707,1093 26.801,1094 3.17,1095 16.194,1096 21.115,1097 0.252,1098 32.803,1099 15.93,1100 1.887,1101 5.886,1102 28.632,1103 2.663,1104 17.26,1105 22.568,1106 0.035,1107 35.099,1108 16.977,1109 16576,1110 24580,1111 25.137,1112 41.58,1113 53.371,1114 53.206,1115 53.35,1116 53.086,1117 53.038,1118 69.148,1119 3.32,1120 147.283,1121 51.68,1122 5.516,1123 5.185,1124 6.117,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 8.048,1132 1.483,1133 1.478,1134 1.482,1135 1.475,1136 1.473,1137 1.921,1138 0.092,1139 4.091,1140 1.436,1141 4.083,1142 4.108,1143 4.041,1144 4.005,1145 5.104,1146 4.01,1147 4.017,1148 4.04,1149 3.962,1150 3.948,1151 5.013,1152 3.948,1153 3.866,1154 3.915,1155 3.76,1156 3.727,1157 4.689,1158 3.727,1159 3.712,1160 3.738,1161 3.63,1162 3.57,1163 4.58,1164 3.58,1165 3.547,1166 3.592,1167 3.447,1168 3.43,1169 4.327,1170 3.425,1171 3.435,1172 3.498,1173 3.288,1174 3.271,1175 4.211,1176 3.268,1177 3.149,1178 3.213,1179 3.015,1180 2.985,1181 3.888,1182 2.98,1183 3.111,1184 3.206,1185 2.892,1186 2.941,1187 3.792,1188 2.91,1189 0.125,1190 0.088,1191 0.181,1192 0.112,1193 0.085,1194 4.516,1195 0.124,1196 3.185,1197 0.024,1198 6.517,1199 0.285,1200 4.026,1201 0.082,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.117,1210 2.125,1211 1.478,1212 2.121,1213 1.971,1214 1.943,1215 2.103,1216 2.07,1217 1.223,1218 2.086,1219 1.817,1220 1.764,1221 1.986,1222 1.956,1223 1.171,1224 1.969,1225 1.54,1226 1.496,1227 1.754,1228 1.714,1229 1.014,1230 1.728,1231 1.471,1232 1.423,1233 1.703,1234 1.629,1235 0.825,1236 1.658,1237 1.393,1238 1.343,1239 1.584,1240 1.574,1241 0.807,1242 1.553,1243 1.24,1244 1.23,1245 1.513,1246 1.504,1247 0.765,1248 1.495,1249 1.153,1250 1.064,1251 1.443,1252 1.376,1253 0.6,1254 1.429,1255 4.29,1257 5.595,1258 2.398,1259 7.091,1260 4.443,1261 8.676,1262 6.293,1263 10.308,1265 2.021,1271 7.611,1273 6.144,1275 0.749,1276 2.534,1280 38.848,1281 83.348,1282 207.108,1283 295.676,1284 336.405,1285 338.405,1286 338.405,1287 41.242,1288 8.198,1289 38.5,1290 38.5,1291 29,1292 12.561,1293 4.524,1294 3.585,1295 46.204,1296 174,1297 142,1298 0.127,1299 234.696,1300 400.74,1301 564.419,1302 53323,1304 21.753,1305 0.68,1306 0.583,1307 21.753,1308 18.666,1309 15.742,1310 0.437,1311 0.322,1312 11.463,1313 15.295,1314 11.17,1315 9.239,1316 15.742,1317 11.575,1318 13.924,1319 0.284,1320 0.18,1321 13.924,1322 8.825,1323 11.769,1324 0.184,1325 0.102,1326 11.769,1327 6.509,1328 9.989,1329 0.12,1330 0.057,1331 9.989,1332 4.693,1333 7.914,1334 0.078,1335 0.033,1336 7.914,1337 3.364,1338 0.209,1339 97.383,1340 0.199,1341 30.882,1342 0.321,1343 170,1344 410.761,1345 180.557,1346 399.601,1347 562.13,1348 380,1349 198,1350 421.839,1351 209.196,1352 430.179,1353 625.94,1354 406,1355 8.2} {0 CHEMBL456684,1 1.307,2 14.906,3 5.702,4 32.511,5 132.408,6 6.413,7 0.472,8 4.275,9 4.407,10 3.736,11 3.834,12 5.172,13 3.778,14 4.878,15 5.078,16 4.075,17 4.253,18 5.697,19 4.168,20 5.173,21 5.42,22 4.082,23 4.411,24 5.921,25 4.275,26 5.202,27 5.467,28 3.992,29 4.392,30 5.904,31 4.225,32 5.183,33 5.456,34 3.899,35 4.34,36 5.862,37 4.166,38 5.102,39 5.374,40 3.81,41 4.258,42 5.771,43 4.078,44 5.052,45 5.336,46 3.742,47 4.18,48 5.69,49 4.003,50 4.977,51 5.248,52 3.724,53 4.169,54 5.612,55 3.993,56 0.073,57 0.952,58 16.087,59 6.671,60 9.587,61 9.467,62 0.229,63 1.63,64 30.098,65 11.048,66 21.85,67 16.165,68 0.387,69 2.037,70 40.567,71 14.876,72 32.509,73 21.807,74 0.316,75 1.998,76 41.254,77 16.488,78 32.415,79 23.69,80 0.313,81 1.932,82 40.683,83 15.812,84 31.192,85 22.738,86 0.263,87 1.811,88 37.398,89 14.502,90 28.141,91 21.079,92 0.316,93 1.728,94 35.803,95 13.19,96 25.86,97 19.458,98 0.25,99 1.628,100 32.877,101 12.888,102 20.258,103 18.777,104 2,105 49,106 0.207,107 0.491,108 0.714,109 0.836,110 0.841,111 0.841,112 3.501,113 1.025,114 -5.21,115 -5.1,116 -4.77,119 41.8,120 1,121 5,122 1,125 6,140 9,141 2,142 2,144 2,169 13,172 12,178 15,181 1,182 7,189 11,192 1,193 6,199 15,203 6,211 9,215 8,222 7,225 1,226 4,233 6,236 1,237 2,244 10,249 5,256 8,259 1790,260 22.239,261 22.239,262 22.239,263 22.239,264 22.239,265 20.229,266 27.463,267 13.356,268 22.663,269 17.835,270 17.835,271 17.835,272 17.835,273 17.835,274 14.827,275 32.073,276 6.392,277 18.519,278 4.759,279 2.968,280 1.56,281 0.787,282 0.758,283 0.758,284 4.216,289 1,290 1067,291 2.915,294 93.576,295 409.912,299 160.904,302 2.367,303 14.036,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 66.5,315 477,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.18,326 3.141,327 6.173,328 3.872,329 2.911,330 3.732,331 0.8,332 9.195,333 2.809,334 3.734,335 2.907,336 5.6,337 3.645,338 2.682,339 3.17,340 0.8,341 7.718,342 2.584,343 3.713,344 2.701,345 5.339,346 3.364,347 2.415,348 2.876,350 6.927,351 2.287,352 3.535,353 2.595,354 5.307,355 3.283,356 2.332,357 2.634,359 6.707,360 2.216,361 3.297,362 2.191,363 4.965,364 3.042,365 2.072,366 2.589,368 5.886,369 1.998,370 3.147,371 2.113,372 4.813,373 2.846,374 1.887,375 2.223,377 5.291,378 1.802,379 2.991,380 1.78,381 4.382,382 2.667,383 1.678,384 2.177,386 4.32,387 1.658,388 2.89,389 1.597,390 4.196,391 2.512,392 1.523,393 1.955,395 3.817,396 1.504,397 2.635,398 1.461,399 3.53,400 2.216,401 1.241,402 1.687,404 2.724,405 1.213,406 2.49,407 1.252,408 3.499,409 2.15,410 1.197,411 1.487,413 2.635,414 1.126,415 2.137,416 1.077,417 3.414,418 1.984,419 1,420 1.08,422 2.275,423 0.983,424 2,425 0.963,426 3.313,427 1.836,428 0.865,429 1,431 2,432 0.836,433 1.92,434 0.892,435 3.246,436 1.762,437 0.792,438 0.875,440 1.909,441 0.767,442 1.618,443 0.744,444 3,445 1.591,446 0.618,447 0.618,449 1.372,450 0.6,451 15.533,452 0.485,453 0.602,454 0.019,455 37.5,456 1.172,457 17,458 0.531,459 20.5,460 0.641,461 31.569,462 0.987,463 34.867,464 0.52,465 24.483,466 0.765,467 6.803,468 0.213,469 8.939,470 0.279,471 0.032,473 0.277,479 0.893,480 1.379,481 0.923,482 1.172,483 0.827,484 1.069,485 1.409,486 1.166,487 1.049,488 1.028,489 0.913,490 1.007,491 1.33,492 0.983,493 1.102,494 0.992,495 1.087,496 1.019,497 0.861,498 1.024,499 0.972,500 1.061,501 0.868,502 1.035,503 1.22,504 0.967,505 1.024,506 0.998,507 1.212,508 1.003,509 1.03,510 1.107,511 1.048,512 1.092,513 1.088,514 1.08,515 1.144,516 0.95,517 1.028,518 0.95,519 1.026,520 0.975,521 0.847,522 0.99,523 1.03,524 1.03,525 0.847,526 1.042,527 5.5,528 0.149,529 2.889,530 1.403,531 1.321,532 0.604,533 0.584,534 0.286,535 0.16,536 0.176,537 18219,538 33719,539 2.194,540 52.2,541 3,542 21,546 3,547 8,550 1.736,551 2.133,552 3.825,553 -0.867,559 87.542,560 1.307,561 3.098,562 4.506,563 5.279,564 5.309,565 5.309,566 3.243,567 4.664,568 4.975,569 4.043,570 2005.14,571 8.649,572 31821.4,577 406.428,578 1.043,579 4.964,580 0.153,581 0.007,582 0.059,583 0.03,584 0.031,585 0.016,586 0.017,587 0.009,588 0.005,589 0.007,590 0.333,591 0.33,592 0.88,593 0.313,594 173.452,595 0.074,596 -0.179,597 0.089,598 -0.056,599 0.107,600 0.005,601 -0.092,602 -0.031,603 -0.017,604 -0.012,605 0.114,606 -0.008,607 -0.067,608 0.065,609 -0.089,610 -0.011,611 0.013,612 -0.042,613 0.094,614 -0.063,615 0.005,616 -0.057,617 0.112,618 -0.036,619 -0.074,620 -0.016,621 -0.035,622 -0.01,623 -0.141,624 -0.019,625 -0.036,626 -0.144,627 -0.067,628 -0.104,629 -0.115,630 -0.093,631 -0.053,632 0.028,633 -0.035,634 0.007,635 -0.097,636 -0.011,637 -0.01,638 -0.004,639 -0.056,640 -0.04,641 -0.061,642 -0.051,643 0.768,644 2.66,645 0.844,646 36.938,647 0.982,648 1.125,649 3.982,650 15.857,651 0.652,652 3.611,653 3.912,654 4.174,655 4.431,656 4.625,657 4.644,658 4.727,659 4.82,660 4.883,661 4.927,662 8.8,663 0.6,664 429.66,665 3.611,666 5.142,667 5.984,668 6.847,669 7.7,670 8.566,671 9.423,672 10.289,673 11.148,674 12.014,675 4.5,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 67,716 17,717 2,718 36,720 71,721 28,722 15,723 5,724 7,730 5,731 6,736 1,740 4,741 1,743 5,745 15,746 13,747 1,764 35,765 4,767 4,773 3,777 0.8,778 1,786 1,789 1,792 1,793 4,797 1,815 1,819 4,823 1,827 32,833 11,835 1,837 1,838 2,847 1.5,852 1,854 15,855 12.1,856 7,857 4.497,858 3.319,859 1.405,860 0.998,861 6.827,862 11.517,863 3.818,864 4.369,865 4.922,866 5.486,867 6.021,868 6.212,869 6.492,870 6.779,871 7.015,872 6.774,873 0.9,874 47,875 11.904,877 5.008,878 7.323,879 24.092,881 20.563,883 1.823,884 58.333,888 411.989,889 140.565,890 23.034,892 11,895 140.565,896 422.988,897 23.034,898 8.825,899 27.794,900 85.286,901 16.786,902 35.908,904 411.989,906 411.989,907 163.599,908 11,911 317.82,912 105.169,915 44.644,916 102.169,917 16.786,919 411.989,920 34.034,921 140.565,924 411.989,925 46.453,926 100.36,928 27.785,929 411.989,930 34.034,931 140.565,933 0.574,934 0.333,935 0.184,936 0.098,937 24,938 9,939 0.099,940 7,941 1,942 1.074,943 4.621,944 282.968,945 0.074,946 27,947 150,951 21.579,952 10.123,953 5.398,954 2.116,955 34.034,956 19.617,957 4.612,961 4.924,964 586.587,965 44.5,975 65.77,976 75.348,977 0.215,978 0.511,979 0.743,980 0.87,981 0.875,982 0.875,983 5.051,984 1.678,985 5.938,986 5.291,987 4.595,988 5.056,989 1.481,990 6.698,991 4.524,992 6.209,993 1.523,994 7.456,995 4.32,996 4.007,997 4.732,998 0.57,999 7.466,1000 3.887,1001 7.487,1002 1.241,1003 9.072,1004 3.817,1005 6.138,1006 7.193,1007 1.104,1008 10.554,1009 5.996,1010 8.798,1011 1.197,1012 10.748,1013 2.724,1014 6.399,1015 7.759,1016 0.479,1017 12.184,1018 6.207,1019 10.145,1020 1,1021 12.463,1022 2.635,1023 7.939,1024 9.68,1025 0.854,1026 14.757,1027 7.73,1028 11.517,1029 0.865,1030 14.206,1031 2.275,1032 8.611,1033 10.695,1034 0.346,1035 16.758,1036 8.357,1037 12.909,1038 0.792,1039 15.969,1040 2,1041 9.895,1042 12.378,1043 0.661,1044 19.154,1045 9.623,1046 3.054,1047 0.618,1048 17.749,1049 1.909,1050 10.775,1051 13.628,1052 0.237,1053 21.322,1054 10.463,1055 2.911,1056 10.248,1057 19.541,1058 1.372,1059 11.946,1060 15.202,1061 0.505,1062 23.656,1063 11.613,1064 2.682,1065 9.195,1066 21.344,1067 4.458,1068 12.931,1069 16.571,1070 0.158,1071 25.9,1072 12.563,1073 2.415,1074 7.718,1075 23.156,1076 3.732,1077 14.053,1078 18.095,1079 0.382,1080 28.214,1081 13.661,1082 2.332,1083 6.927,1084 24.975,1085 3.17,1086 15.092,1087 19.525,1088 0.104,1089 30.493,1090 14.667,1091 2.072,1092 6.707,1093 26.801,1094 2.876,1095 16.194,1096 21.028,1097 0.285,1098 32.803,1099 15.744,1100 1.887,1101 5.886,1102 28.632,1103 2.634,1104 17.26,1105 22.488,1106 0.068,1107 35.099,1108 16.78,1109 16576,1110 22711,1111 25.137,1112 43.654,1113 52.818,1114 53.252,1115 53.35,1116 53.077,1117 53.038,1118 65.667,1119 4.92,1120 147.283,1121 51.174,1122 5.516,1123 5.185,1124 6.117,1125 5.098,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 8.048,1132 1.467,1133 1.479,1134 1.482,1135 1.474,1136 1.473,1137 1.824,1138 0.137,1139 4.091,1140 1.421,1141 4.081,1142 4.109,1143 4.039,1144 4.003,1145 5.016,1146 4.008,1147 3.997,1148 4.038,1149 3.922,1150 3.914,1151 4.746,1152 3.91,1153 3.849,1154 3.914,1155 3.728,1156 3.702,1157 4.58,1158 3.699,1159 3.713,1160 3.77,1161 3.582,1162 3.586,1163 4.33,1164 3.576,1165 3.548,1166 3.594,1167 3.446,1168 3.43,1169 4.253,1170 3.426,1171 3.437,1172 3.501,1173 3.288,1174 3.275,1175 4.206,1176 3.27,1177 3.153,1178 3.219,1179 3.018,1180 2.99,1181 3.886,1182 2.985,1183 3.111,1184 3.206,1185 2.895,1186 2.941,1187 3.784,1188 2.913,1189 0.125,1190 0.088,1191 0.181,1192 0.112,1193 0.085,1194 4.516,1195 0.124,1196 3.185,1197 0.024,1198 6.517,1199 0.285,1200 4.026,1201 0.082,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.121,1213 1.958,1214 1.924,1215 2.102,1216 2.072,1217 1.223,1218 2.087,1219 1.807,1220 1.752,1221 1.978,1222 1.963,1223 1.211,1224 1.971,1225 1.577,1226 1.507,1227 1.86,1228 1.751,1229 1.173,1230 1.793,1231 1.539,1232 1.494,1233 1.754,1234 1.718,1235 1.027,1236 1.73,1237 1.453,1238 1.387,1239 1.704,1240 1.644,1241 0.908,1242 1.667,1243 1.367,1244 1.292,1245 1.632,1246 1.586,1247 0.825,1248 1.609,1249 1.153,1250 1.068,1251 1.513,1252 1.376,1253 0.805,1254 1.429,1255 4.29,1257 5.595,1258 2.398,1259 7.091,1260 4.443,1261 8.676,1262 6.293,1263 10.308,1265 2.029,1271 12.977,1273 6.16,1275 0.799,1276 5.101,1280 40.208,1281 87.542,1282 207.548,1283 301.924,1284 353.673,1285 355.673,1286 355.673,1287 41.754,1288 8.198,1289 28.6,1290 28.6,1291 29,1292 12.561,1293 4.17,1294 3.248,1295 46.204,1296 174,1297 142,1298 0.127,1299 243.349,1300 419.13,1301 585.532,1302 53323,1304 21.753,1305 0.68,1306 0.603,1307 21.753,1308 19.302,1309 15.742,1310 0.437,1311 0.342,1312 12.19,1313 15.335,1314 11.888,1315 9.815,1316 15.742,1317 12.299,1318 13.924,1319 0.284,1320 0.193,1321 13.924,1322 9.477,1323 11.769,1324 0.184,1325 0.111,1326 11.769,1327 7.109,1328 9.989,1329 0.12,1330 0.063,1331 9.989,1332 5.242,1333 7.914,1334 0.078,1335 0.036,1336 7.914,1337 3.599,1338 0.209,1339 96.958,1340 0.199,1341 30.882,1342 0.321,1343 170,1344 364.671,1345 180.093,1346 358.255,1347 509.42,1348 342,1349 198,1350 386.201,1351 209.037,1352 393.344,1353 576.24,1354 373,1355 8.6} {0 CHEMBL457765,1 1.369,2 15.515,3 4.929,4 24.29,5 133.942,6 6.554,7 0.459,8 4.298,9 4.424,10 3.775,11 3.832,12 5.218,13 3.787,14 4.899,15 5.093,16 4.105,17 4.24,18 5.75,19 4.17,20 5.179,21 5.414,22 4.142,23 4.422,24 5.961,25 4.302,26 5.231,27 5.489,28 4.028,29 4.427,30 5.941,31 4.261,32 5.236,33 5.514,34 3.953,35 4.367,36 5.923,37 4.196,38 5.133,39 5.398,40 3.872,41 4.276,42 5.831,43 4.108,44 5.076,45 5.355,46 3.806,47 4.196,48 5.742,49 4.032,50 5.011,51 5.277,52 3.764,53 4.184,54 5.665,55 4.017,56 0.062,57 0.964,58 16.185,59 6.721,60 8.881,61 9.358,62 0.283,63 1.624,64 30.838,65 10.906,66 24.611,67 15.669,68 0.498,69 2.036,70 41.116,71 14.648,72 36.184,73 21.28,74 0.313,75 2.057,76 42.518,77 16.973,78 32.459,79 24.369,80 0.348,81 1.998,82 43.266,83 16.464,84 35.844,85 23.76,86 0.304,87 1.838,88 38.957,89 14.684,90 32.288,91 21.261,92 0.351,93 1.746,94 37.058,95 13.318,96 28.869,97 19.603,98 0.304,99 1.652,100 34.405,101 13.075,102 23.44,103 18.946,104 2,105 50,106 0.216,107 0.502,108 0.725,109 0.839,110 0.844,111 0.844,112 3.531,113 1.003,114 -4.42,115 -4.35,116 -4.11,119 41.2,120 1,121 3,122 1,125 8,140 9,141 2,142 2,144 2,169 12,172 10,178 15,181 2,182 7,189 11,192 1,193 6,199 11,203 8,211 5,215 10,222 3,225 1,226 6,233 4,236 1,237 3,244 6,249 7,256 8,259 1931,260 22.947,261 22.947,262 22.947,263 22.947,264 22.947,265 20.936,266 28.239,267 13.856,268 23.529,269 18.335,270 18.335,271 18.335,272 18.335,273 18.335,274 15.327,275 33.614,276 6.642,277 19.242,278 4.719,279 2.906,280 1.5,281 0.776,282 0.746,283 0.746,284 4.247,289 1,290 1141,291 2.915,295 538.248,299 167.044,302 2.498,303 17.5,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 69.5,315 512,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.178,326 3.148,327 6.17,328 3.865,329 2.905,330 3.731,331 0.86,332 9.188,333 2.803,334 3.732,335 2.909,336 5.599,337 3.641,338 2.68,339 3.17,340 0.8,341 7.717,342 2.577,343 3.712,344 2.711,345 5.338,346 3.357,347 2.411,348 2.871,349 0.8,350 6.925,351 2.273,352 3.531,353 2.596,354 5.306,355 3.282,356 2.332,357 2.634,359 6.707,360 2.214,361 3.297,362 2.316,363 4.964,364 3.034,365 2.071,366 2.587,368 5.881,369 1.983,370 3.145,371 2.164,372 4.813,373 2.846,374 1.888,375 2.223,377 5.291,378 1.801,379 2.991,380 2.063,381 4.369,382 2.658,383 1.723,384 2.174,386 4.296,387 1.607,388 2.9,389 1.604,390 4.196,391 2.512,392 1.524,393 1.959,395 3.817,396 1.504,397 2.651,398 1.532,399 3.549,400 2.24,401 1.284,402 1.707,404 2.819,405 1.222,406 2.49,407 1.455,408 3.52,409 2.151,410 1.216,411 1.487,413 2.702,414 1.127,415 2.193,416 1.256,417 3.429,418 1.984,419 1,420 1.162,422 2.387,423 0.983,424 2.136,425 1.133,426 3.414,427 1.952,428 1,429 1.079,431 2.275,432 0.946,433 2,434 1.077,435 3.312,436 1.924,437 1,438 1,440 2.136,441 0.914,442 2,443 0.963,444 3.247,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 15.867,452 0.481,453 0.602,454 0.018,455 38.5,456 1.167,457 17,458 0.515,459 21.5,460 0.652,461 32.324,462 0.98,463 36.333,464 0.534,465 26.267,466 0.796,467 7.301,468 0.221,469 8.941,470 0.271,471 0.032,473 0.271,479 0.88,480 1.421,481 0.894,482 1.211,483 0.832,484 1.077,485 1.507,486 1.136,487 1.064,488 0.991,489 1.108,490 0.978,491 1.244,492 0.953,493 1.115,494 0.96,495 1.114,496 1.008,497 0.658,498 1.091,499 0.998,500 1.139,501 0.729,502 1.111,503 0.92,504 0.942,505 0.949,506 0.972,507 0.969,508 0.967,509 0.967,510 1.11,511 1.039,512 1.096,513 1.022,514 1.082,515 0.989,516 0.962,517 1.007,518 0.961,519 0.935,520 0.979,521 0.892,522 0.983,523 1.044,524 1.024,525 0.904,526 1.046,527 5.5,528 0.161,529 2.889,530 1.563,531 1.262,532 0.674,533 0.604,534 0.307,535 0.151,536 0.178,537 19733,538 40181,539 2.187,540 51.5,541 3,542 25,546 3,547 4,550 1.744,551 2.129,552 3.879,553 -0.841,559 93.062,560 1.369,561 3.181,562 4.587,563 5.312,564 5.341,565 5.341,566 3.363,567 4.537,568 5.019,569 4.086,570 2157.45,571 8.739,572 35112.6,577 413.947,578 1.027,579 5.01,580 0.149,581 0.007,582 0.058,583 0.031,584 0.029,585 0.017,586 0.017,587 0.009,588 0.005,589 0.006,590 0.327,591 0.33,592 0.88,593 0.306,594 180.759,595 0.048,596 -0.211,597 0.091,598 -0.086,599 0.068,600 -0.008,601 -0.154,602 -0.005,603 -0.035,604 0.021,605 0.001,606 0.008,607 -0.065,608 0.11,609 -0.106,610 0.025,611 -0.046,612 -0.032,613 0.066,614 -0.115,615 -0.043,616 -0.12,617 0.086,618 -0.097,619 -0.024,620 -0.001,621 0.024,622 0.015,623 -0.044,624 0.023,625 -0.04,626 -0.145,627 -0.063,628 -0.105,629 -0.087,630 -0.091,631 -0.04,632 0.019,633 -0.022,635 -0.06,636 -0.008,637 -0.046,638 0.002,639 -0.073,640 -0.032,641 -0.096,642 -0.054,643 0.779,644 2.66,645 0.848,646 39.409,647 0.987,648 1.126,649 3.194,650 10.204,651 0.649,652 3.638,653 3.932,654 4.19,655 4.443,656 4.682,657 4.663,658 4.762,659 4.852,660 4.927,661 4.97,662 9.032,663 0.602,664 445.66,665 3.638,666 5.165,667 6.004,668 6.864,669 7.715,670 8.578,671 9.433,672 10.297,673 11.154,674 12.019,675 4.4,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 68,716 17,717 2,718 37,720 72,721 28,722 15,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 3,745 15,746 13,747 1,764 35,765 5,767 5,773 3,777 0.8,778 2,786 1,793 5,797 1,815 1,818 1,819 4,823 1,827 33,833 11,835 2,837 1,838 2,847 2.9,851 1,852 1,854 15.5,855 12.267,856 7.25,857 4.414,858 3.334,859 1.402,860 0.989,861 7.329,862 11.635,863 3.839,864 4.382,865 4.929,866 5.49,867 6.036,868 6.216,869 6.501,870 6.789,871 7.031,872 6.802,873 1,874 50,875 12.262,877 5.136,878 7.374,879 24.627,881 20.769,883 1.874,884 61.833,888 411.989,889 144.68,890 23.034,892 22,895 144.68,896 433.988,897 23.034,898 8.825,899 31.909,900 85.286,901 27.785,902 35.908,904 411.989,906 411.989,907 167.714,908 22,911 364.904,912 58.084,913 11,915 48.76,916 102.169,917 16.786,919 411.989,920 45.034,921 144.68,924 411.989,925 50.569,926 100.36,928 38.785,929 411.989,930 45.034,931 144.68,933 0.572,934 0.33,935 0.183,936 0.103,937 24,938 9,939 0.097,940 7,941 1,942 1.071,943 4.699,944 294.095,945 0.071,946 28,947 153.71,951 22.491,952 10.753,953 5.797,954 2.104,955 45.034,956 19.456,957 4.61,961 4.801,964 601.703,965 45.5,975 67.098,976 76.557,977 0.225,978 0.523,979 0.754,980 0.873,981 0.877,982 0.877,983 5.07,984 1.723,985 5.953,986 5.291,987 4.615,988 5.069,989 1.771,990 6.708,991 4.529,992 6.223,993 1.524,994 7.468,995 4.296,996 4.007,997 4.732,998 0.57,999 7.466,1000 3.887,1001 7.497,1002 1.284,1003 9.08,1004 3.817,1005 6.151,1006 7.198,1007 1.413,1008 10.556,1009 5.991,1010 8.804,1011 1.216,1012 10.753,1013 2.819,1014 6.382,1015 7.755,1016 0.479,1017 12.18,1018 6.19,1019 10.148,1020 1,1021 12.466,1022 2.702,1023 7.946,1024 9.681,1025 1.15,1026 14.757,1027 7.722,1028 11.518,1029 1,1030 14.207,1031 2.387,1032 8.595,1033 10.693,1034 0.346,1035 16.756,1036 8.341,1037 12.909,1038 1,1039 15.97,1040 2.275,1041 9.897,1042 12.378,1043 0.93,1044 19.153,1045 9.612,1046 3.054,1047 0.865,1048 17.749,1049 2.136,1050 10.762,1051 13.627,1052 0.237,1053 21.321,1054 10.449,1055 2.905,1056 10.248,1057 19.541,1058 1.999,1059 11.942,1060 15.201,1061 0.742,1062 23.655,1063 11.601,1064 2.68,1065 9.188,1066 21.343,1067 4.458,1068 12.92,1069 16.571,1070 0.158,1071 25.898,1072 12.549,1073 2.411,1074 7.717,1075 23.155,1076 3.731,1077 14.046,1078 18.095,1079 0.583,1080 28.212,1081 13.648,1082 2.332,1083 6.925,1084 24.974,1085 3.17,1086 15.081,1087 19.525,1088 0.104,1089 30.491,1090 14.654,1091 2.071,1092 6.707,1093 26.799,1094 2.871,1095 16.185,1096 21.028,1097 0.452,1098 32.801,1099 15.731,1100 1.888,1101 5.881,1102 28.63,1103 2.634,1104 17.249,1105 22.488,1106 0.068,1107 35.097,1108 16.767,1109 18015,1110 25834,1111 25.83,1112 44.108,1113 54.358,1114 54.926,1115 54.886,1116 54.415,1117 54.402,1118 67.03,1119 6.64,1120 150.011,1121 51.991,1122 5.516,1123 5.185,1124 6.319,1125 5.13,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 8.232,1132 1.469,1133 1.484,1134 1.483,1135 1.471,1136 1.47,1137 1.812,1138 0.179,1139 4.054,1140 1.405,1141 4.08,1142 4.107,1143 4.039,1144 4.002,1145 5.016,1146 4.007,1147 3.989,1148 4.029,1149 3.916,1150 3.907,1151 4.762,1152 3.904,1153 3.838,1154 3.899,1155 3.722,1156 3.691,1157 4.581,1158 3.689,1159 3.679,1160 3.73,1161 3.557,1162 3.485,1163 4.578,1164 3.495,1165 3.547,1166 3.593,1167 3.446,1168 3.43,1169 4.328,1170 3.425,1171 3.437,1172 3.5,1173 3.288,1174 3.272,1175 4.212,1176 3.268,1177 3.155,1178 3.219,1179 3.021,1180 2.988,1181 3.899,1182 2.984,1183 3.111,1184 3.206,1185 2.9,1186 2.941,1187 3.851,1188 2.913,1189 0.122,1190 0.086,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.185,1197 0.023,1198 6.517,1199 0.277,1200 4.026,1201 0.08,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.116,1210 2.125,1211 1.478,1212 2.121,1213 1.964,1214 1.93,1215 2.103,1216 2.082,1217 1.242,1218 2.093,1219 1.818,1220 1.761,1221 1.999,1222 2,1223 1.221,1224 2.004,1225 1.633,1226 1.578,1227 1.857,1228 1.844,1229 1.101,1230 1.851,1231 1.537,1232 1.493,1233 1.75,1234 1.706,1235 0.983,1236 1.721,1237 1.434,1238 1.37,1239 1.695,1240 1.619,1241 0.825,1242 1.649,1243 1.153,1244 1.081,1245 1.513,1246 1.376,1247 0.825,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.805,1254 1.429,1255 4.317,1257 5.617,1259 7.117,1261 8.707,1263 10.341,1265 2.025,1271 11.406,1273 11.661,1275 0.773,1276 4.997,1280 40.923,1281 93.062,1282 216.313,1283 311.934,1284 361.193,1285 363.193,1286 363.193,1287 44.097,1288 8.301,1289 37.83,1290 37.83,1291 30,1292 12.567,1293 4.17,1294 3.248,1295 48.336,1296 185,1297 151,1298 0.125,1299 247.345,1300 427.92,1301 595.282,1302 61231,1304 22.46,1305 0.681,1306 0.597,1307 22.46,1308 19.71,1309 16.242,1310 0.439,1311 0.334,1312 12.228,1313 15.69,1314 11.939,1315 9.813,1316 16.242,1317 12.376,1318 14.277,1319 0.286,1320 0.188,1321 14.277,1322 9.382,1323 12.019,1324 0.185,1325 0.108,1326 12.019,1327 7.015,1328 10.166,1329 0.121,1330 0.061,1331 10.166,1332 5.088,1333 8.526,1334 0.08,1335 0.035,1336 8.526,1337 3.748,1338 0.207,1339 100.958,1340 0.197,1341 31.69,1342 0.317,1343 174,1344 412.406,1345 186.971,1346 395.403,1347 554.54,1348 378,1349 202,1350 409.837,1351 215.805,1352 415.128,1353 608.48,1354 393,1355 8.6} {0 CHEMBL457982,1 1.321,2 15.743,3 5.417,4 29.346,5 144.459,6 6.303,7 0.436,8 4.383,9 4.522,10 3.822,11 3.917,12 5.282,13 3.86,14 4.987,15 5.195,16 4.175,17 4.336,18 5.803,19 4.253,20 5.3,21 5.546,22 4.238,23 4.536,24 6.063,25 4.41,26 5.395,27 5.667,28 4.136,29 4.564,30 6.083,31 4.39,32 5.378,33 5.66,34 4.063,35 4.518,36 6.05,37 4.337,38 5.292,39 5.566,40 3.976,41 4.442,42 5.978,43 4.257,44 5.252,45 5.546,46 3.891,47 4.355,48 5.885,49 4.167,50 5.146,51 5.424,52 3.849,53 4.316,54 5.774,55 4.133,56 0.089,57 1.087,58 18.363,59 7.303,60 11.532,61 10.596,62 0.265,63 1.828,64 34.02,65 11.899,66 25.177,67 17.922,68 0.49,69 2.337,70 46.515,71 16.12,72 38.78,73 24.255,74 0.399,75 2.399,76 50.106,77 19.288,78 38.763,79 28.249,80 0.362,81 2.3,82 49.14,83 19.009,84 38.97,85 27.69,86 0.313,87 2.165,88 45.109,89 17.246,90 36.71,91 25.414,92 0.368,93 2.048,94 43.484,95 15.9,96 32.828,97 23.778,98 0.299,99 1.891,100 38.904,101 14.913,102 25.121,103 22.033,104 10,105 54,106 0.205,107 0.507,108 0.751,109 0.858,110 0.874,111 0.874,112 3.588,113 1.027,114 -4.81,115 -4.72,116 -4.44,119 40,120 3,121 3,122 1,125 6,127 2,140 9,141 2,142 2,144 2,169 12,172 11,176 1,178 15,181 1,182 8,184 1,186 1,189 11,192 1,193 6,199 13,203 6,208 2,211 10,215 8,220 2,222 7,225 1,226 4,231 2,233 7,236 1,237 2,242 1,244 9,249 5,254 2,256 10,259 2255,260 23.894,261 23.894,262 23.894,263 23.894,264 23.894,265 21.883,266 32.861,267 14.153,268 24.379,269 19.286,270 19.286,271 19.286,272 19.286,273 19.286,274 16.281,275 44.876,276 6.769,277 20.072,278 4.908,279 2.958,280 1.387,281 0.697,282 0.59,283 0.59,284 4.298,289 1,290 1217,291 3.082,295 573.927,299 179.627,302 2.537,303 17.549,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 73,315 551,316 4.516,317 3.289,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.23,326 3.185,327 6.478,328 3.986,329 3.039,330 3.744,331 0.8,332 10.08,333 2.884,334 3.815,335 2.92,336 5.635,337 3.69,338 2.714,339 3.17,340 0.8,341 7.827,342 2.65,343 3.718,344 2.748,345 5.381,346 3.449,347 2.491,348 2.971,349 0.4,350 7.047,351 2.387,352 3.597,353 2.599,354 5.32,355 3.289,356 2.34,357 2.643,359 6.714,360 2.219,361 3.317,362 2.408,363 5.136,364 3.171,365 2.216,366 2.613,368 6.294,369 2.109,370 3.284,371 2.184,372 4.923,373 3.011,374 2.043,375 2.392,377 5.7,378 1.971,379 3.096,380 2.117,381 4.814,382 2.849,383 1.89,384 2.219,386 5.292,387 1.806,388 2.991,389 1.914,390 4.775,391 2.77,392 1.79,393 2.119,395 5.092,396 1.752,397 2.943,398 1.599,399 4.196,400 2.512,401 1.524,402 1.98,404 3.817,405 1.504,406 2.664,407 1.467,408 3.92,409 2.254,410 1.277,411 1.729,413 3.074,414 1.247,415 2.49,416 1.408,417 3.527,418 2.152,419 1.215,420 1.487,422 2.709,423 1.127,424 2.168,425 1.123,426 3.479,427 1.984,428 1,429 1.139,431 2.464,432 0.983,433 2.136,434 1.077,435 3.414,436 1.956,437 1,438 1.079,440 2.275,441 0.953,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.933,452 0.484,453 0.797,454 0.023,455 39.5,456 1.129,457 17,458 0.486,459 22.5,460 0.643,461 38.018,462 1.086,463 38.867,464 0.518,465 27.285,466 0.78,467 7.191,468 0.205,469 9.855,470 0.282,471 0.089,473 0.313,479 0.95,480 1.431,481 0.956,482 1.205,483 0.976,484 1.099,485 1.406,486 1.202,487 1.027,488 1.025,489 0.923,490 0.994,491 1.413,492 0.975,493 1.133,494 0.98,495 1.129,496 1.018,497 0.907,498 1.009,499 1.017,500 1.065,501 0.851,502 1.054,503 1.032,504 0.957,505 0.968,506 0.991,507 1.041,508 0.985,509 0.951,510 1.125,511 1.059,512 1.127,513 1.085,514 1.111,515 0.998,516 0.953,517 0.988,518 0.959,519 0.956,520 0.972,521 0.835,522 0.987,523 1.035,524 1.039,525 0.87,526 1.051,527 7,528 0.198,529 3.556,530 2.063,531 1.804,532 0.813,533 0.707,534 0.398,535 0.25,536 0.228,537 22531,538 42037,539 2.141,540 53.3,541 3,542 23,545 1,546 3,547 10,550 1.759,551 2.039,552 3.891,553 -0.458,559 99.078,560 1.321,561 3.27,562 4.842,563 5.532,564 5.639,565 5.639,566 3.373,567 4.901,568 5.105,569 4.125,570 2454.62,571 8.911,572 41705.6,577 467.161,578 1.271,579 5.076,580 0.179,581 0.007,582 0.066,583 0.038,584 0.038,585 0.018,586 0.018,587 0.011,588 0.007,589 0.007,590 0.388,591 0.33,592 0.75,593 0.45,594 195.01,595 0.054,596 -0.18,597 0.082,598 -0.056,599 0.007,600 0.004,601 -0.078,602 -0.046,603 0.021,604 0.006,605 0.117,606 0.02,607 -0.082,608 0.112,609 -0.1,610 0.005,611 -0.025,612 -0.038,613 0.034,614 -0.032,615 -0.038,616 -0.058,617 0.071,618 -0.053,619 -0.033,620 -0.016,621 0.009,622 0.009,623 -0.048,624 0.01,625 -0.036,626 -0.154,627 -0.083,628 -0.123,629 -0.125,630 -0.112,631 -0.024,632 0.005,633 -0.008,634 0.007,635 -0.066,637 -0.024,638 -0.001,639 -0.063,640 -0.04,641 -0.083,642 -0.053,643 0.791,644 2.681,645 0.8,646 43.127,647 0.982,648 1.129,649 3.583,650 12.835,651 0.642,652 3.689,653 4.007,654 4.263,655 4.522,656 4.771,657 4.754,658 4.836,659 4.942,660 5.017,661 5.056,662 9.331,663 0.59,664 472.74,665 3.689,666 5.231,667 6.075,668 6.946,669 7.803,670 8.675,671 9.537,672 10.41,673 11.274,674 12.146,675 5.3,677 1,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 75,716 17,717 2,718 39,720 79,721 30,722 15,723 5,724 7,730 5,731 6,736 3,740 4,741 1,743 5,745 15,746 15,747 1,764 40,765 5,766 1,767 5,773 4,777 0.8,778 1,786 1,793 5,797 1,814 1,815 1,819 4,823 3,827 35,833 9,834 1,835 1,837 3,838 2,847 1.3,852 1,854 17.167,855 14.017,856 7.611,857 4.922,858 3.356,859 1.396,860 0.977,861 7.792,862 11.836,863 3.882,864 4.431,865 4.965,866 5.523,867 6.067,868 6.252,869 6.538,870 6.838,871 7.072,872 6.851,873 1,874 55,875 13.014,877 5.453,878 7.343,879 26.238,881 22.301,883 1.843,884 64.5,888 459.073,889 153.146,890 41.045,892 11,895 153.146,896 470.073,897 41.045,898 26.476,899 22.725,900 103.297,901 16.786,902 35.908,904 459.073,906 459.073,907 194.191,908 11,911 341.362,912 128.711,915 75.236,916 102.169,917 16.786,919 459.073,920 52.045,921 153.146,924 459.073,925 41.384,926 118.01,927 18.011,928 27.785,929 459.073,930 52.045,931 153.146,933 0.581,934 0.335,935 0.183,936 0.106,937 26,938 11,939 0.089,940 7,941 1,942 1.071,943 4.772,944 321.329,945 0.071,946 28,947 173.525,951 24.398,952 11.179,953 6.101,954 2.108,955 52.045,956 19.623,957 4.62,961 4.856,963 18.011,964 664.264,965 47.5,975 73.639,976 84.676,977 0.212,978 0.525,979 0.777,980 0.888,981 0.905,982 0.905,983 5.131,984 1.89,985 6.047,986 5.7,987 4.691,988 5.118,989 1.552,990 6.825,991 4.616,992 6.296,993 1.79,994 7.582,995 5.292,996 4.205,997 4.832,998 0.57,999 7.636,1000 4.087,1001 7.577,1002 1.524,1003 9.213,1004 5.092,1005 6.256,1006 7.236,1007 1.121,1008 10.723,1009 6.104,1010 8.888,1011 1.277,1012 10.9,1013 3.817,1014 6.567,1015 7.805,1016 0.479,1017 12.376,1018 6.368,1019 10.233,1020 1.215,1021 12.626,1022 3.074,1023 8.078,1024 9.706,1025 0.858,1026 14.973,1027 7.851,1028 11.602,1029 1,1030 14.379,1031 2.709,1032 8.781,1033 10.719,1034 0.346,1035 17,1036 8.507,1037 12.992,1038 1,1039 16.153,1040 2.464,1041 10.058,1042 12.394,1043 0.662,1044 19.421,1045 9.756,1046 3.054,1047 0.865,1048 17.943,1049 2.275,1050 10.962,1051 13.642,1052 0.237,1053 21.614,1054 10.615,1055 3.039,1056 10.248,1057 19.747,1058 1.999,1059 12.135,1060 15.212,1061 0.506,1062 23.97,1063 11.757,1064 2.714,1065 10.08,1066 21.563,1067 4.458,1068 13.141,1069 16.58,1070 0.158,1071 26.234,1072 12.72,1073 2.491,1074 7.827,1075 23.387,1076 3.744,1077 14.27,1078 18.102,1079 0.382,1080 28.566,1081 13.816,1082 2.34,1083 7.047,1084 25.22,1085 3.17,1086 15.326,1087 19.531,1088 0.104,1089 30.861,1090 14.83,1091 2.216,1092 6.714,1093 27.059,1094 2.971,1095 16.439,1096 21.033,1097 0.285,1098 33.185,1099 15.908,1100 2.043,1101 6.294,1102 28.904,1103 2.643,1104 17.52,1105 22.493,1106 0.068,1107 35.493,1108 16.949,1109 20762,1110 28537,1111 26.641,1112 48.182,1113 57.723,1114 58.066,1115 58.935,1116 57.65,1117 57.65,1118 70.271,1119 5.72,1120 163.005,1121 55.487,1122 5.516,1123 5.289,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 14.598,1132 1.48,1133 1.489,1134 1.511,1135 1.478,1136 1.478,1137 1.802,1138 0.147,1139 4.18,1140 1.423,1141 4.083,1142 4.112,1143 4.04,1144 4.003,1145 5.016,1146 4.009,1147 4,1148 4.042,1149 3.928,1150 3.914,1151 4.75,1152 3.912,1153 3.856,1154 3.923,1155 3.737,1156 3.702,1157 4.58,1158 3.701,1159 3.745,1160 3.802,1161 3.632,1162 3.604,1163 4.417,1164 3.603,1165 3.549,1166 3.595,1167 3.447,1168 3.43,1169 4.327,1170 3.426,1171 3.44,1172 3.505,1173 3.292,1174 3.277,1175 4.211,1176 3.272,1177 3.384,1178 3.468,1179 3.18,1180 3.231,1181 3.959,1182 3.207,1183 3.16,1184 3.228,1185 3.023,1186 2.992,1187 3.886,1188 2.988,1189 0.116,1190 0.084,1191 0.167,1192 0.103,1193 0.078,1194 4.516,1195 0.114,1196 3.289,1197 0.022,1198 6.517,1199 0.263,1200 4.026,1201 0.076,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.119,1210 2.125,1211 1.479,1212 2.122,1213 1.971,1214 1.935,1215 2.105,1216 2.094,1217 1.33,1218 2.102,1219 1.837,1220 1.776,1221 2.034,1222 2.025,1223 1.222,1224 2.034,1225 1.729,1226 1.669,1227 1.924,1228 1.889,1229 1.126,1230 1.905,1231 1.538,1232 1.494,1233 1.751,1234 1.708,1235 0.994,1236 1.723,1237 1.438,1238 1.373,1239 1.74,1240 1.627,1241 0.972,1242 1.668,1243 1.416,1244 1.337,1245 1.697,1246 1.614,1247 0.825,1248 1.649,1249 1.153,1250 1.085,1251 1.513,1252 1.376,1253 0.805,1254 1.429,1255 4.369,1257 5.687,1259 7.2,1261 8.802,1263 10.45,1265 6.63,1271 9.9,1272 3.591,1273 6.181,1275 1.861,1276 5.13,1280 44.283,1281 99.078,1282 245.286,1283 363.148,1284 414.897,1285 422.897,1286 422.897,1287 50.636,1288 8.48,1289 40.63,1290 40.63,1291 30,1292 12.689,1293 4.17,1294 3.248,1295 52.743,1296 203,1297 172,1298 0.125,1299 269.328,1300 464.73,1301 648.92,1302 76295,1304 24.2,1305 0.691,1306 0.615,1307 24.2,1308 21.542,1309 17.047,1310 0.437,1311 0.342,1312 13.226,1313 16.571,1314 12.804,1315 10.624,1316 17.047,1317 13.355,1318 15.439,1319 0.286,1320 0.196,1321 15.439,1322 10.594,1323 12.828,1324 0.183,1325 0.11,1326 12.828,1327 7.734,1328 10.754,1329 0.118,1330 0.062,1331 10.754,1332 5.63,1333 9.198,1334 0.079,1335 0.037,1336 9.198,1337 4.323,1338 0.206,1339 105.202,1340 0.194,1341 33.157,1342 0.317,1343 186,1344 395.004,1345 198.147,1346 388.281,1347 551.38,1348 370,1349 217,1350 418.962,1351 230.091,1352 426.995,1353 624.82,1354 404,1355 9} {0 CHEMBL458001,1 1.592,2 16,3 3.349,4 11.214,5 143.102,6 8.065,7 0.45,8 4.229,9 4.347,10 3.868,11 3.816,12 5.345,13 3.793,14 4.751,15 4.914,16 4.23,17 4.209,18 5.841,19 4.165,20 5.039,21 5.241,22 4.38,23 4.362,24 6.154,25 4.291,26 5.061,27 5.274,28 4.291,29 4.336,30 6.148,31 4.239,32 5.035,33 5.253,34 4.233,35 4.283,36 6.14,37 4.191,38 4.923,39 5.13,40 4.167,41 4.165,42 6.09,43 4.092,44 4.779,45 4.972,46 4.013,47 4.04,48 5.982,49 3.962,50 4.698,51 4.905,52 3.927,53 3.962,54 5.823,55 3.883,56 0.057,57 0.914,58 11.071,59 5.277,60 8.482,61 6.747,62 0.247,63 1.489,64 21.528,65 8.647,66 21.515,67 11.383,68 0.521,69 1.849,70 34.476,71 12.247,72 57.138,73 16.301,74 0.401,75 1.794,76 36.855,77 13.535,78 59.027,79 17.905,80 0.469,81 1.711,82 41.403,83 12.998,84 70.186,85 16.738,86 0.524,87 1.549,88 35.547,89 10.915,90 69.63,91 13.711,92 0.52,93 1.338,94 29.098,95 9.599,96 68.3,97 12.027,98 0.348,99 1.248,100 25.603,101 8.957,102 51.817,103 11.659,104 10,105 55,106 0.253,107 0.552,108 0.674,109 0.803,110 0.847,111 0.847,112 3.615,113 0.917,114 -4.89,115 -4.79,116 -4.5,119 45.2,125 5,137 2,140 13,141 4,142 1,152 1,156 2,164 1,169 17,171 1,172 2,174 1,176 3,178 20,181 2,182 8,184 1,186 4,189 16,192 2,193 9,197 3,199 12,203 7,206 1,208 1,211 15,215 5,218 2,220 2,222 15,225 1,226 6,229 3,231 2,233 10,236 1,237 6,242 3,244 7,248 1,249 7,252 1,254 2,256 7,259 2530,260 24.706,261 24.706,262 24.706,263 24.706,264 24.706,265 21.944,266 26.257,267 14.722,268 25.074,269 19.744,270 19.744,271 19.744,272 19.744,273 19.744,274 15.522,275 38.229,276 7.006,277 20.371,278 4.362,279 2.474,280 1.703,281 0.895,282 0.613,283 0.613,284 4.324,285 1,289 1,290 1270,291 3.162,295 665.661,302 2.5,303 33.409,306 0.75,307 0.83,308 0.83,309 0.5,310 0.5,311 0.83,312 1,313 0.75,314 76.833,315 576,316 4.464,317 3.804,318 6.689,319 4.089,320 3.148,321 3.93,322 1.081,323 10.654,324 2.942,325 4.291,326 3.573,327 6.169,328 3.924,329 2.924,330 3.894,331 1.058,332 9.124,333 2.92,334 4.124,335 3.115,336 6.038,337 3.765,338 2.779,339 3.692,340 0.8,341 8.677,342 2.743,343 3.98,344 2.86,345 6.012,346 3.642,347 2.666,348 3.484,349 0.473,350 8.544,351 2.606,352 3.716,353 2.835,354 5.572,355 3.48,356 2.507,357 2.86,358 0.4,359 7.542,360 2.414,361 3.429,362 2.458,363 5.148,364 3.063,365 2.105,366 2.766,368 6.153,369 2.019,370 3.303,371 2.343,372 4.874,373 2.882,374 1.902,375 2.545,377 5.287,378 1.865,379 3.097,380 2.136,381 4.516,382 2.777,383 1.811,384 2.152,386 4.665,387 1.72,388 3,389 2.076,390 4.36,391 2.567,392 1.621,393 2,395 4.047,396 1.506,397 2.868,398 1.804,399 4.011,400 2.386,401 1.377,402 1.968,404 3.341,405 1.38,406 2.666,407 1.714,408 3.549,409 2.186,410 1.2,411 1.737,413 2.751,414 1.184,415 2.521,416 1.437,417 3.503,418 2.112,419 1.181,420 1.5,422 2.654,423 1.084,424 2.5,425 1.215,426 3.473,427 2.011,428 1,429 1.5,431 2.497,432 1.007,433 2.5,434 1.146,435 3.414,436 2,437 1,438 1.483,440 2.275,441 1,442 2.329,443 1.127,444 3.247,445 2,446 1,447 1.294,449 2.136,450 1,451 17.381,452 0.483,453 0.763,454 0.021,455 47.75,456 1.326,457 24.5,458 0.681,459 23.25,460 0.646,461 29.791,462 0.828,463 37.219,464 0.6,465 39.444,466 1.096,467 9.777,468 0.272,469 7.803,470 0.217,471 0.079,473 0.305,479 0.663,480 1.21,481 0.642,482 0.938,483 0.533,484 0.872,485 0.794,486 1.159,487 0.785,488 0.935,489 0.585,490 0.936,491 0.779,492 0.985,493 0.841,494 0.988,495 0.723,496 0.974,497 0.932,498 1.067,499 0.937,500 1.058,501 1.029,502 1.035,503 1.363,504 0.935,505 1.315,506 1.006,507 1.364,508 0.965,509 1.559,510 0.896,511 1.284,512 0.973,513 1.655,514 0.963,515 1.462,516 0.973,517 1.244,518 1.02,519 1.742,520 1.042,521 1.163,522 1.041,523 0.963,524 1.004,525 1.299,526 0.994,527 6,528 0.161,529 4,530 2.375,531 1.711,532 1.201,533 0.808,534 0.503,535 0.345,536 0.241,537 23278,538 60727,539 2.137,540 41.9,542 23,544 1,545 2,550 1.769,551 2.038,552 3.936,553 0.148,559 98.733,560 1.592,561 3.48,562 4.251,563 5.059,564 5.341,565 5.341,566 3.396,567 4.163,568 5.14,569 4.119,570 2595.02,571 9.005,572 43646.3,577 369.16,578 1.256,579 5.118,580 0.15,581 0.004,582 0.073,583 0.041,584 0.033,585 0.024,586 0.018,587 0.013,588 0.009,589 0.007,590 0.371,591 0.17,592 0.75,593 0.442,594 200.709,595 0.004,596 -0.062,597 0.031,598 -0.009,599 -0.028,600 0.017,601 0.013,602 -0.033,603 -0.02,604 -0.015,605 0.014,606 -0.035,607 0.155,608 0.056,609 0.068,610 -0.033,611 0.115,612 -0.022,613 0.051,614 -0.102,615 0.044,616 -0.063,617 0.015,618 -0.043,619 -0.155,620 0.03,621 -0.095,622 0.003,623 -0.134,624 0.021,625 -0.17,626 0.105,627 -0.121,628 0.004,629 -0.177,630 -0.019,631 -0.054,632 0.018,633 -0.164,634 -0.044,635 -0.125,636 -0.103,637 -0.022,638 -0.058,639 -0.008,640 -0.031,641 -0.027,642 -0.029,643 1.999,644 5.871,645 0.833,646 47.451,647 1.003,648 1.12,649 3.656,650 13.363,651 0.696,652 3.714,653 4.025,654 4.304,655 4.533,656 4.754,657 4.779,658 4.913,659 5.004,660 5.081,661 5.159,662 9.094,663 0.664,664 500.04,665 3.714,666 5.252,667 6.103,668 6.969,669 7.83,670 8.701,671 9.566,672 10.439,673 11.306,674 12.18,675 8.1,677 1,678 1,682 2,684 1,688 13,693 5,695 18,702 1,714 62,716 22,717 3,718 40,720 66,721 28,722 18,723 5,724 13,725 5,726 1,730 5,731 5,732 1,733 1,745 23,746 5,749 1,750 4,755 2,757 1,758 1,759 4,764 26,765 7,766 2,767 8,768 1,773 5,777 1,778 2,793 5,810 2,814 1,815 1,819 5,824 1,827 36,833 5,834 2,838 2,846 1,847 3.2,850 2,854 17.667,855 10.993,856 7.917,857 3.681,858 3.943,859 1.473,860 1.014,861 7.471,862 12.282,863 3.989,864 4.538,865 5.089,866 5.593,867 6.096,868 6.252,869 6.63,870 6.928,871 7.266,872 7.574,873 0.909,874 58,875 13.344,877 5.742,878 7.739,879 25.459,881 21.015,883 2.239,884 80.611,888 282.506,889 173.933,890 58.811,891 39.149,892 50.29,895 173.933,896 371.945,897 58.811,899 31.541,900 141.202,901 86.775,902 35.286,904 270.735,905 39.149,906 282.506,907 232.743,908 50.29,909 39.149,911 282.506,912 50.29,915 69.339,916 148.1,917 54.453,919 282.506,920 109.1,921 213.082,924 282.506,925 41.694,926 138.365,927 36.022,928 106.102,929 282.506,930 109.1,931 213.082,933 0.578,934 0.343,935 0.183,936 0.098,937 26,938 11,939 0.091,940 6,942 1,943 4.806,944 337.761,946 30,947 174.117,951 24.262,952 11.086,953 5.705,955 109.1,956 24.893,961 4.179,963 36.022,964 604.688,965 53,970 25.684,972 1.653,973 4.351,974 0.306,975 62.207,976 69.422,977 0.267,978 0.585,979 0.714,980 0.85,981 0.897,982 0.897,983 5.223,984 1.811,985 6.071,986 5.287,987 4.71,988 5.226,989 1.988,990 6.86,991 4.649,992 6.408,993 1.621,994 7.616,995 4.665,996 4.205,997 4.856,998 0.325,999 7.706,1000 4.101,1001 7.698,1002 1.377,1003 9.263,1004 4.047,1005 6.282,1006 7.33,1007 1.924,1008 10.809,1009 6.162,1010 9.022,1011 1.2,1012 10.971,1013 3.341,1014 6.621,1015 7.781,1016 0.268,1017 12.486,1018 6.451,1019 10.379,1020 1.181,1021 12.719,1022 2.751,1023 8.135,1024 9.706,1025 1.988,1026 15.09,1027 7.949,1028 11.758,1029 1,1030 14.493,1031 2.654,1032 8.868,1033 10.553,1034 0.188,1035 17.11,1036 8.63,1037 13.156,1038 1,1039 16.285,1040 2.497,1041 10.143,1042 12.222,1043 2.086,1044 19.54,1045 9.883,1046 3.148,1047 1,1048 18.092,1049 2.275,1050 11.068,1051 13.28,1052 0.125,1053 21.718,1054 10.755,1055 2.924,1056 10.654,1057 19.91,1058 2.136,1059 12.242,1060 14.812,1061 2.196,1062 24.085,1063 11.898,1064 2.779,1065 9.124,1066 21.736,1067 3.93,1068 13.261,1069 15.991,1070 0.082,1071 26.342,1072 12.864,1073 2.666,1074 8.677,1075 23.569,1076 3.894,1077 14.393,1078 17.447,1079 2.313,1080 28.689,1081 13.958,1082 2.507,1083 8.544,1084 25.408,1085 3.692,1086 15.46,1087 18.695,1088 0.054,1089 30.988,1090 14.97,1091 2.105,1092 7.542,1093 27.252,1094 3.484,1095 16.578,1096 20.108,1097 2.435,1098 33.332,1099 16.043,1100 1.902,1101 6.153,1102 29.101,1103 2.86,1104 17.669,1105 21.397,1106 0.035,1107 35.655,1108 17.08,1109 21473,1110 34894,1111 27.334,1112 43.171,1113 60.388,1114 62.561,1115 60.632,1116 59.412,1117 59.37,1118 76.826,1119 7.624,1120 167.238,1121 57.497,1122 5.464,1123 5.804,1124 6.491,1125 5.156,1126 5.148,1127 6.93,1128 2.162,1129 18.067,1130 4.942,1131 13.858,1132 1.51,1133 1.564,1134 1.516,1135 1.485,1136 1.484,1137 1.921,1138 0.191,1139 4.181,1140 1.437,1141 4.034,1142 4.064,1143 4.03,1144 3.973,1145 7.431,1146 3.97,1147 3.948,1148 3.984,1149 3.955,1150 3.865,1151 7.427,1152 3.865,1153 3.869,1154 3.916,1155 3.845,1156 3.725,1157 4.88,1158 3.74,1159 3.761,1160 3.793,1161 3.691,1162 3.693,1163 4.825,1164 3.689,1165 3.665,1166 3.723,1167 3.602,1168 3.462,1169 4.733,1170 3.475,1171 3.324,1172 3.365,1173 3.337,1174 3.134,1175 4.58,1176 3.158,1177 3.159,1178 3.22,1179 3.226,1180 3.005,1181 4.487,1182 3.005,1183 3.111,1184 3.206,1185 2.992,1186 2.941,1187 4.371,1188 2.91,1189 0.112,1190 0.095,1191 0.167,1192 0.102,1193 0.079,1194 4.464,1195 0.098,1196 3.804,1197 0.027,1198 6.689,1199 0.266,1200 4.089,1201 0.074,1202 3.148,1203 3.93,1204 1.081,1205 10.654,1206 2.942,1207 1.997,1208 1.976,1209 2.092,1210 2.072,1211 1.263,1212 2.077,1213 1.921,1214 1.892,1215 2.03,1216 2.043,1217 1.198,1218 2.039,1219 1.808,1220 1.759,1221 1.974,1222 1.99,1223 1.167,1224 1.995,1225 1.764,1226 1.735,1227 1.895,1228 1.864,1229 0.957,1230 1.872,1231 1.589,1232 1.534,1233 1.694,1234 1.805,1235 0.825,1236 1.786,1237 1.241,1238 1.201,1239 1.513,1240 1.469,1241 0.807,1242 1.449,1243 1.153,1244 1.074,1245 1.419,1246 1.376,1247 0.615,1248 1.429,1249 1.125,1250 1.064,1251 1.312,1252 1.335,1253 0.356,1254 1.338,1255 4.394,1257 5.707,1259 7.223,1261 8.824,1263 10.466,1266 6.424,1271 3.489,1272 6.219,1276 3.414,1280 41.159,1281 98.733,1282 215.777,1283 263.545,1284 313.65,1285 331.16,1286 331.16,1287 66.457,1288 8.34,1289 79.26,1290 79.26,1291 30,1292 12.722,1293 4.524,1294 3.807,1295 54.841,1296 199,1297 194,1298 0.131,1299 254.63,1300 451.93,1301 613.056,1302 60754,1303 1.6,1304 24.907,1305 0.692,1306 0.567,1307 25.407,1308 20.41,1309 17.581,1310 0.44,1311 0.306,1312 11.747,1313 16.782,1314 11.492,1315 9.49,1316 17.869,1317 12.232,1318 15.538,1319 0.283,1320 0.164,1321 15.871,1322 9.019,1323 13.545,1324 0.186,1325 0.09,1326 14.022,1327 6.551,1328 11.079,1329 0.12,1330 0.049,1331 11.435,1332 4.529,1333 8.877,1334 0.077,1335 0.026,1336 9.109,1337 3.043,1338 0.215,1339 112.325,1340 0.191,1341 33.747,1342 0.339,1343 190,1344 535.276,1345 219.94,1346 554.443,1347 750.83,1348 518,1349 223,1350 531.147,1351 253.853,1352 549.653,1353 804.15,1354 518,1355 6.38} {0 CHEMBL458002,1 1.575,2 15.919,3 3.835,4 14.707,5 148.143,6 7.909,7 0.439,8 4.27,9 4.39,10 3.892,11 3.854,12 5.373,13 3.827,14 4.799,15 4.968,16 4.26,17 4.25,18 5.867,19 4.203,20 5.076,21 5.274,22 4.423,23 4.414,24 6.188,25 4.342,26 5.133,27 5.349,28 4.33,29 4.404,30 6.201,31 4.301,32 5.121,33 5.351,34 4.284,35 4.351,36 6.195,37 4.253,38 4.992,39 5.19,40 4.226,41 4.238,42 6.166,43 4.166,44 4.895,45 5.097,46 4.096,47 4.149,48 6.054,49 4.066,50 4.845,51 5.062,52 4.025,53 4.098,54 5.944,55 4.008,56 0.05,57 0.954,58 12.068,59 5.632,60 8.452,61 7.319,62 0.244,63 1.554,64 23.599,65 9.279,66 21.72,67 12.461,68 0.492,69 1.927,70 35.813,71 12.822,72 55.754,73 17.235,74 0.405,75 1.939,76 39.737,77 14.435,78 60.036,79 19.317,80 0.454,81 1.849,82 45.412,83 14.392,84 69.754,85 19.009,86 0.543,87 1.65,88 37.641,89 11.672,90 77.763,91 14.655,92 0.536,93 1.512,94 32.832,95 10.797,96 69.05,97 13.927,98 0.355,99 1.451,100 29.832,101 10.431,102 54.035,103 13.925,104 17,105 57,106 0.248,107 0.56,108 0.696,109 0.804,110 0.844,111 0.844,112 3.642,113 0.926,114 -5.08,115 -4.98,116 -4.66,119 44.6,120 1,125 5,137 2,140 12,141 5,142 1,152 1,156 2,164 1,169 18,171 1,172 2,174 1,176 3,178 21,181 2,182 8,184 1,186 5,189 18,192 2,193 9,197 3,199 13,203 8,206 1,208 1,211 16,215 6,218 2,220 2,222 17,225 1,226 7,229 3,231 2,233 12,236 1,237 7,242 3,244 8,248 1,249 7,252 1,254 2,256 9,259 2787,260 25.206,261 25.206,262 25.206,263 25.206,264 25.206,265 22.392,266 26.851,267 14.881,268 25.57,269 20.206,270 20.206,271 20.206,272 20.206,273 20.206,274 15.907,275 37.439,276 7.065,277 20.828,278 4.448,279 2.461,280 1.601,281 0.908,282 0.658,283 0.658,284 4.348,285 1,289 1,290 1295,291 3.24,295 686.585,302 2.52,303 34.108,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 78.833,315 589,316 4.465,317 3.804,318 6.689,319 4.09,320 3.149,321 3.952,322 1.081,323 10.654,324 2.959,325 4.316,326 3.579,327 6.2,328 3.952,329 2.96,330 3.904,331 1.058,332 9.217,333 2.924,334 4.232,335 3.118,336 6.128,337 3.85,338 2.858,339 3.865,340 0.8,341 9.008,342 2.827,343 4.005,344 2.991,345 6.025,346 3.656,347 2.667,348 3.495,349 0.473,350 8.561,351 2.653,352 3.756,353 2.842,354 5.905,355 3.55,356 2.585,357 2.94,358 0.4,359 8.179,360 2.467,361 3.488,362 2.618,363 5.302,364 3.177,365 2.205,366 2.767,368 6.595,369 2.142,370 3.377,371 2.381,372 4.948,373 2.906,374 1.909,375 2.684,377 5.355,378 1.905,379 3.107,380 2.151,381 4.555,382 2.803,383 1.86,384 2.153,386 4.778,387 1.729,388 3,389 2.124,390 4.362,391 2.568,392 1.622,393 2.115,395 4.103,396 1.546,397 2.967,398 1.808,399 4.315,400 2.554,401 1.569,402 2,404 4.048,405 1.498,406 2.768,407 1.719,408 3.914,409 2.293,410 1.284,411 1.859,413 3.108,414 1.292,415 2.521,416 1.659,417 3.549,418 2.114,419 1.195,420 1.5,422 2.751,423 1.087,424 2.5,425 1.422,426 3.484,427 2.011,428 1,429 1.5,431 2.54,432 1.007,433 2.5,434 1.146,435 3.414,436 2,437 1,438 1.483,440 2.275,441 1,442 2.331,443 1.127,444 3.247,445 2,446 1,447 1.296,449 2.136,450 1,451 17.881,452 0.483,453 0.853,454 0.023,455 48.25,456 1.304,457 24.5,458 0.662,459 23.75,460 0.642,461 32.658,462 0.883,463 38.519,464 0.593,465 40.526,466 1.095,467 9.834,468 0.266,469 8.158,470 0.22,471 0.105,473 0.324,479 0.662,480 1.219,481 0.657,482 0.955,483 0.54,484 0.891,485 0.781,486 1.126,487 0.762,488 0.903,489 0.575,490 0.9,491 0.772,492 1.032,493 0.846,494 1.017,495 0.719,496 0.994,497 0.957,498 1.078,499 0.966,500 1.072,501 1.033,502 1.062,503 1.27,504 0.911,505 1.224,506 0.973,507 1.262,508 0.92,509 1.708,510 0.943,511 1.309,512 1.001,513 1.913,514 1,515 1.403,516 0.967,517 1.189,518 0.991,519 1.62,520 1.015,521 1.094,522 1.032,523 0.943,524 1.011,525 1.182,526 1.004,527 6.5,528 0.227,529 4.667,530 2.438,531 1.982,532 1.368,533 0.97,534 0.606,535 0.402,536 0.308,537 24359,538 62472,539 2.116,540 43.1,541 3,542 22,544 1,545 2,550 1.777,551 2,552 3.93,553 0.135,559 102.357,560 1.575,561 3.561,562 4.422,563 5.114,564 5.365,565 5.365,566 3.395,567 4.831,568 5.179,569 4.11,570 2737.46,571 9.092,572 46478.4,577 391.454,578 1.338,579 5.15,580 0.159,581 0.006,582 0.082,583 0.04,584 0.037,585 0.026,586 0.02,587 0.014,588 0.01,589 0.008,590 0.4,591 0.17,592 0.75,593 0.488,594 207.221,595 0.009,596 -0.062,597 0.033,598 -0.009,599 -0.031,600 0.016,601 0.029,603 0.019,604 0.03,605 0.026,606 0.017,607 0.161,608 0.02,609 0.056,610 -0.059,611 0.12,612 -0.044,613 0.027,614 -0.095,615 0.002,616 -0.086,617 -0.011,618 -0.079,619 -0.102,620 0.045,621 -0.025,622 0.038,623 -0.075,624 0.074,625 -0.208,626 0.063,627 -0.162,628 -0.028,629 -0.23,630 -0.067,631 -0.047,632 0.036,633 -0.134,634 -0.02,635 -0.107,636 -0.072,637 -0.011,638 -0.04,639 -0.01,640 -0.042,641 -0.005,642 -0.036,643 1.998,644 5.965,645 0.811,646 48.89,647 1.001,648 1.121,649 3.848,650 14.809,651 0.691,652 3.738,653 4.06,654 4.344,655 4.564,656 4.804,657 4.828,658 4.963,659 5.063,660 5.153,661 5.247,662 9.04,663 0.657,664 514.07,665 3.738,666 5.283,667 6.138,668 7.008,669 7.874,670 8.748,671 9.619,672 10.494,673 11.367,674 12.243,675 7.7,677 1,678 1,682 2,684 1,688 12,693 6,695 18,702 1,714 65,716 22,717 3,718 41,720 69,721 29,722 18,723 6,724 12,725 5,726 1,730 5,731 5,732 1,733 1,736 1,745 23,746 6,749 1,750 4,755 2,757 1,758 1,759 4,764 28,765 7,766 2,767 8,768 1,773 5,777 1,778 2,793 5,810 2,814 1,815 1,819 5,823 1,824 1,827 37,833 5,834 2,838 2,846 1,847 3.1,850 2,854 18.5,855 11.91,856 8.111,857 3.883,858 3.921,859 1.468,860 1.009,861 7.705,862 12.298,863 4.007,864 4.57,865 5.125,866 5.624,867 6.143,868 6.302,869 6.666,870 6.978,871 7.322,872 7.645,873 0.909,874 61,875 13.725,877 5.897,878 7.724,879 26.234,881 21.663,883 2.224,884 82.278,888 306.049,889 176.467,890 58.811,891 39.149,892 50.29,895 176.467,896 395.487,897 58.811,898 8.825,899 31.541,900 131.726,901 86.775,902 38.472,904 294.278,905 39.149,906 306.049,907 235.278,908 50.29,909 39.149,911 306.049,912 50.29,915 78.164,916 141.809,917 54.453,919 306.049,920 109.1,921 215.616,924 306.049,925 44.88,926 137.714,927 36.022,928 106.102,929 306.049,930 109.1,931 215.616,933 0.583,934 0.348,935 0.182,936 0.1,937 27,938 12,939 0.087,940 6,942 1,943 4.827,944 353.621,946 30,947 180.75,951 25.218,952 11.304,953 5.775,955 109.1,956 23.282,961 5.16,963 36.022,964 630.765,965 54,970 25.903,972 1.658,973 4.374,974 0.317,975 65.091,976 72.837,977 0.261,978 0.591,979 0.734,980 0.849,981 0.891,982 0.891,983 5.25,984 1.86,985 6.116,986 5.355,987 4.745,988 5.257,989 1.988,990 6.917,991 4.686,992 6.444,993 1.622,994 7.673,995 4.778,996 4.29,997 4.956,998 0.325,999 7.791,1000 4.196,1001 7.742,1002 1.569,1003 9.331,1004 4.103,1005 6.333,1006 7.382,1007 1.924,1008 10.889,1009 6.219,1010 9.074,1011 1.284,1012 11.048,1013 4.048,1014 6.711,1015 7.894,1016 0.268,1017 12.577,1018 6.553,1019 10.439,1020 1.195,1021 12.802,1022 3.108,1023 8.202,1024 9.783,1025 1.988,1026 15.181,1027 8.026,1028 11.826,1029 1,1030 14.582,1031 2.751,1032 8.96,1033 10.68,1034 0.188,1035 17.202,1036 8.738,1037 13.23,1038 1,1039 16.379,1040 2.54,1041 10.225,1042 12.325,1043 2.086,1044 19.63,1045 9.979,1046 3.149,1047 1,1048 18.189,1049 2.275,1050 11.165,1051 13.423,1052 0.125,1053 21.804,1054 10.872,1055 2.96,1056 10.654,1057 20.009,1058 2.136,1059 12.334,1060 14.942,1061 2.196,1062 24.167,1063 12.011,1064 2.858,1065 9.217,1066 21.836,1067 3.952,1068 13.361,1069 16.152,1070 0.082,1071 26.418,1072 12.991,1073 2.667,1074 9.008,1075 23.67,1076 3.904,1077 14.492,1078 17.602,1079 2.313,1080 28.76,1081 14.085,1082 2.585,1083 8.561,1084 25.509,1085 3.865,1086 15.562,1087 18.875,1088 0.054,1089 31.053,1090 15.107,1091 2.205,1092 8.179,1093 27.352,1094 3.495,1095 16.679,1096 20.287,1097 2.435,1098 33.392,1099 16.182,1100 1.909,1101 6.595,1102 29.2,1103 2.94,1104 17.772,1105 21.596,1106 0.035,1107 35.709,1108 17.226,1109 22556,1110 36337,1111 27.739,1112 44.932,1113 62.191,1114 64.309,1115 62.693,1116 61.22,1117 61.112,1118 78.788,1119 7.624,1120 174.207,1121 59.239,1122 5.465,1123 5.804,1124 6.491,1125 5.158,1126 5.149,1127 6.952,1128 2.162,1129 18.067,1130 4.959,1131 16.272,1132 1.517,1133 1.569,1134 1.529,1135 1.493,1136 1.491,1137 1.922,1138 0.186,1139 4.249,1140 1.445,1141 4.041,1142 4.07,1143 4.033,1144 3.977,1145 7.431,1146 3.974,1147 3.955,1148 3.987,1149 3.957,1150 3.886,1151 7.427,1152 3.884,1153 3.879,1154 3.927,1155 3.866,1156 3.728,1157 4.879,1158 3.744,1159 3.762,1160 3.794,1161 3.693,1162 3.695,1163 4.825,1164 3.69,1165 3.67,1166 3.731,1167 3.603,1168 3.466,1169 4.723,1170 3.479,1171 3.331,1172 3.379,1173 3.35,1174 3.175,1175 4.58,1176 3.178,1177 3.256,1178 3.313,1179 3.231,1180 3.086,1181 4.487,1182 3.097,1183 3.111,1184 3.206,1185 3.049,1186 2.941,1187 4.371,1188 2.91,1189 0.109,1190 0.093,1191 0.163,1192 0.1,1193 0.077,1194 4.465,1195 0.096,1196 3.804,1197 0.026,1198 6.689,1199 0.26,1200 4.09,1201 0.072,1202 3.149,1203 3.952,1204 1.081,1205 10.654,1206 2.959,1207 1.998,1208 1.977,1209 2.093,1210 2.076,1211 1.263,1212 2.08,1213 1.94,1214 1.913,1215 2.048,1216 2.044,1217 1.216,1218 2.045,1219 1.81,1220 1.761,1221 1.976,1222 2,1223 1.189,1224 2.003,1225 1.765,1226 1.737,1227 1.895,1228 1.864,1229 0.957,1230 1.872,1231 1.595,1232 1.539,1233 1.718,1234 1.815,1235 0.861,1236 1.797,1237 1.303,1238 1.246,1239 1.557,1240 1.486,1241 0.825,1242 1.514,1243 1.196,1244 1.16,1245 1.513,1246 1.444,1247 0.693,1248 1.429,1249 1.153,1250 1.064,1251 1.351,1252 1.376,1253 0.447,1254 1.422,1255 4.419,1257 5.74,1259 7.263,1261 8.872,1263 10.521,1265 1.932,1266 6.449,1271 3.486,1272 6.292,1276 3.427,1280 42.686,1281 102.357,1282 231.468,1283 287.415,1284 332.434,1285 348.699,1286 348.699,1287 70.618,1288 8.377,1289 79.26,1290 79.26,1291 30,1292 12.782,1293 4.524,1294 3.807,1295 57.06,1296 201,1297 204,1298 0.134,1299 264.222,1300 469.23,1301 636.462,1302 62491,1303 1.5,1304 25.777,1305 0.697,1306 0.577,1307 26.277,1308 21.333,1309 17.991,1310 0.439,1311 0.309,1312 12.164,1313 17.195,1314 11.839,1315 9.801,1316 18.28,1317 12.649,1318 16.056,1319 0.282,1320 0.166,1321 16.389,1322 9.468,1323 14.094,1324 0.185,1325 0.091,1326 14.571,1327 6.916,1328 11.256,1329 0.118,1330 0.049,1331 11.611,1332 4.675,1333 9.28,1334 0.077,1335 0.027,1336 9.512,1337 3.243,1338 0.218,1339 114.79,1340 0.19,1341 34.372,1342 0.35,1343 196,1344 543.276,1345 225.94,1346 563.048,1347 763.88,1348 526,1349 231,1350 542.147,1351 262.019,1352 561.977,1353 822.52,1354 529,1355 6.13} {0 CHEMBL458199,1 1.332,2 16.176,3 5.198,4 27.02,5 140.918,6 6.371,7 0.447,8 4.346,9 4.483,10 3.8,11 3.876,12 5.247,13 3.824,14 4.95,15 5.161,16 4.136,17 4.292,18 5.764,19 4.214,20 5.237,21 5.477,22 4.182,23 4.493,24 5.997,25 4.364,26 5.337,27 5.609,28 4.062,29 4.5,30 6.018,31 4.32,32 5.311,33 5.604,34 3.973,35 4.414,36 5.963,37 4.234,38 5.157,39 5.425,40 3.91,41 4.325,42 5.844,43 4.155,44 5.131,45 5.409,46 3.856,47 4.275,48 5.793,49 4.104,50 5.096,51 5.373,52 3.818,53 4.27,54 5.731,55 4.092,56 0.08,57 1.05,58 17.513,59 6.932,60 10.773,61 10.056,62 0.285,63 1.762,64 32.776,65 11.089,66 24.05,67 16.79,68 0.446,69 2.198,70 43.482,71 15.631,72 34.399,73 23.141,74 0.348,75 2.249,76 47.193,77 18.633,78 35.729,79 27.062,80 0.377,81 2.125,82 46.288,83 17.224,84 35.919,85 25.323,86 0.286,87 1.916,88 39.596,89 14.923,90 30.22,91 21.995,92 0.338,93 1.865,94 38.749,95 14.069,96 28.986,97 20.987,98 0.292,99 1.808,100 37.106,101 14.15,102 23.655,103 20.899,104 5,105 52,106 0.208,107 0.483,108 0.718,109 0.839,110 0.843,111 0.843,112 3.56,113 1.017,114 -4.62,115 -4.54,116 -4.27,119 40.3,120 1,121 3,122 1,124 1,125 8,140 9,141 2,142 2,144 2,169 12,172 10,178 15,181 2,182 7,189 11,192 1,193 6,199 11,203 8,211 5,215 10,222 3,225 1,226 6,233 4,236 1,237 3,244 6,249 7,256 8,259 2076,260 23.394,261 23.394,262 23.394,263 23.394,264 23.394,265 21.383,266 29.891,267 13.942,268 23.936,269 18.802,270 18.802,271 18.802,272 18.802,273 18.802,274 15.793,275 37.287,276 6.679,277 19.656,278 4.838,279 3.078,280 1.574,281 0.799,282 0.771,283 0.771,284 4.273,289 1,290 1220,291 3,295 559.917,299 174.319,302 2.578,303 15.336,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 71,315 550,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.18,326 3.16,327 6.175,328 3.874,329 2.917,330 3.731,331 0.8,332 9.203,333 2.808,334 3.741,335 2.913,336 5.601,337 3.651,338 2.687,339 3.17,340 0.8,341 7.723,342 2.587,343 3.714,344 2.746,345 5.341,346 3.399,347 2.454,348 2.881,349 0.8,350 6.938,351 2.314,352 3.555,353 2.607,354 5.309,355 3.288,356 2.34,357 2.635,359 6.708,360 2.218,361 3.325,362 2.561,363 5.059,364 3.186,365 2.252,366 2.594,368 6.155,369 2.099,370 3.291,371 2.176,372 4.922,373 2.963,374 2.001,375 2.367,377 5.735,378 1.915,379 3.095,380 2.089,381 4.813,382 2.843,383 1.884,384 2.22,386 5.291,387 1.799,388 2.99,389 1.616,390 4.236,391 2.512,392 1.524,393 2.124,395 3.841,396 1.504,397 2.734,398 1.575,399 4.196,400 2.393,401 1.422,402 1.81,404 3.811,405 1.377,406 2.49,407 1.458,408 3.527,409 2.156,410 1.224,411 1.487,413 2.713,414 1.13,415 2.466,416 1.152,417 3.48,418 2.088,419 1.103,420 1.458,422 2.533,423 1.085,424 2.136,425 1.146,426 3.414,427 1.984,428 1,429 1.08,431 2.275,432 0.983,433 2,434 1.077,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.433,452 0.483,453 0.708,454 0.021,455 39.25,456 1.154,457 17,458 0.5,459 22.25,460 0.654,461 34.418,462 1.012,463 37.567,464 0.522,465 27.187,466 0.8,467 7.414,468 0.218,469 9.223,470 0.271,471 0.061,473 0.286,479 0.921,480 1.497,481 0.933,482 1.23,483 0.865,484 1.105,485 1.551,486 1.098,487 1.052,488 0.946,489 0.956,490 0.946,491 1.315,492 0.985,493 1.145,494 1.026,495 1.121,496 1.06,497 0.771,498 1.074,499 0.995,500 1.126,501 0.827,502 1.092,503 1.12,504 0.881,505 0.929,506 0.903,507 1.097,508 0.907,509 1.028,510 1.121,511 1.05,512 1.105,513 1.076,514 1.088,515 1.087,516 1.003,517 1.046,518 1.004,519 1.058,520 1.02,521 0.842,522 0.977,523 1.031,524 1.031,525 0.859,526 1.044,527 6.5,528 0.194,529 3.333,530 1.625,531 1.453,532 0.785,533 0.684,534 0.385,535 0.188,536 0.218,537 21310,538 40284,539 2.163,540 52.8,541 3,542 28,546 3,547 4,550 1.751,551 2.082,552 3.932,553 -0.846,559 95.932,560 1.332,561 3.092,562 4.596,563 5.371,564 5.399,565 5.399,566 3.36,567 4.337,568 5.061,569 4.136,570 2320.04,571 8.824,572 38712,577 444.235,578 1.166,579 5.043,580 0.171,581 0.007,582 0.064,583 0.031,584 0.033,585 0.019,586 0.018,587 0.011,588 0.005,589 0.007,590 0.367,591 0.33,592 0.88,593 0.39,594 188.192,595 0.078,596 -0.254,597 0.093,598 -0.093,599 0.088,600 -0.015,601 -0.148,602 0.063,603 -0.003,604 0.06,605 0.085,606 0.047,607 -0.072,608 0.091,609 -0.126,610 -0.026,611 -0.03,612 -0.069,613 0.086,614 -0.121,615 -0.028,616 -0.109,617 0.102,618 -0.083,619 -0.042,620 0.044,621 0.053,622 0.072,623 -0.064,624 0.07,625 -0.045,626 -0.141,627 -0.067,628 -0.103,629 -0.1,630 -0.091,631 -0.054,632 -0.017,633 -0.057,634 -0.028,635 -0.117,636 -0.042,637 -0.025,638 0.007,639 -0.06,640 -0.034,641 -0.07,642 -0.048,643 0.773,644 2.672,645 0.824,646 42.118,647 0.983,648 1.129,649 3.39,650 11.491,651 0.645,652 3.664,653 3.97,654 4.22,655 4.466,656 4.718,657 4.718,658 4.796,659 4.898,660 4.97,661 5.037,662 9.29,663 0.594,664 458.71,665 3.664,666 5.198,667 6.038,668 6.901,669 7.752,670 8.617,671 9.473,672 10.339,673 11.197,674 12.063,675 5.6,678 2,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 72,716 17,717 2,718 38,720 76,721 29,722 15,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 3,745 15,746 14,747 1,764 38,765 5,767 5,773 4,777 0.8,778 1,786 1,793 5,797 1,815 2,819 4,823 2,827 34,833 11,835 1,837 1,838 3,847 1.4,852 1,854 16.333,855 13.3,856 7.417,857 4.647,858 3.347,859 1.399,860 0.989,861 7.56,862 11.741,863 3.861,864 4.407,865 4.943,866 5.499,867 6.045,868 6.231,869 6.514,870 6.809,871 7.052,872 6.855,873 0.909,874 52,875 12.638,877 5.276,878 7.333,879 25.506,881 21.551,883 1.833,884 62.333,888 447.302,889 148.103,890 26.158,892 11,895 148.103,896 458.302,897 26.158,898 17.222,899 26.936,900 85.286,901 16.786,902 39.032,904 447.302,906 447.302,907 174.262,908 11,911 400.217,912 58.084,915 46.911,916 110.566,917 16.786,919 447.302,920 37.158,921 148.103,924 447.302,925 45.596,926 111.881,928 27.785,929 447.302,930 37.158,931 148.103,933 0.578,934 0.331,935 0.178,936 0.103,937 25,938 10,939 0.092,940 7,941 1,942 1.071,943 4.757,944 306.165,945 0.071,946 28,947 162.974,951 23.444,952 10.964,953 6.048,954 2.112,955 37.158,956 19.617,957 4.617,961 4.885,964 632.564,965 46.5,975 70.756,976 81.261,977 0.216,978 0.501,979 0.745,980 0.871,981 0.875,982 0.875,983 5.101,984 1.884,985 5.999,986 5.735,987 4.654,988 5.094,989 1.679,990 6.758,991 4.571,992 6.26,993 1.524,994 7.52,995 5.291,996 4.111,997 4.783,998 0.766,999 7.526,1000 3.973,1001 7.537,1002 1.422,1003 9.136,1004 3.841,1005 6.201,1006 7.216,1007 1.246,1008 10.597,1009 6.04,1010 8.844,1011 1.224,1012 10.808,1013 3.811,1014 6.463,1015 7.776,1016 0.653,1017 12.21,1018 6.252,1019 10.186,1020 1.103,1021 12.518,1022 2.713,1023 7.997,1024 9.69,1025 0.963,1026 14.782,1027 7.766,1028 11.553,1029 1,1030 14.255,1031 2.533,1032 8.658,1033 10.701,1034 0.482,1035 16.772,1036 8.384,1037 12.94,1038 1,1039 16.013,1040 2.275,1041 9.944,1042 12.382,1043 0.745,1044 19.167,1045 9.649,1046 3.054,1047 0.865,1048 17.786,1049 2.275,1050 10.812,1051 13.63,1052 0.337,1053 21.33,1054 10.482,1055 2.917,1056 10.248,1057 19.573,1058 1.999,1059 11.984,1060 15.203,1061 0.568,1062 23.663,1063 11.63,1064 2.687,1065 9.203,1066 21.371,1067 4.458,1068 12.961,1069 16.572,1070 0.229,1071 25.904,1072 12.575,1073 2.454,1074 7.723,1075 23.179,1076 3.731,1077 14.083,1078 18.096,1079 0.428,1080 28.218,1081 13.672,1082 2.34,1083 6.938,1084 24.994,1085 3.17,1086 15.117,1087 19.526,1088 0.153,1089 30.496,1090 14.675,1091 2.252,1092 6.708,1093 26.817,1094 2.881,1095 16.218,1096 21.028,1097 0.318,1098 32.806,1099 15.751,1100 2.001,1101 6.155,1102 28.645,1103 2.635,1104 17.281,1105 22.488,1106 0.1,1107 35.101,1108 16.785,1109 19553,1110 27046,1111 26.235,1112 46.421,1113 56.079,1114 56.145,1115 56.946,1116 56.012,1117 55.956,1118 68.576,1119 6.52,1120 156.134,1121 53.648,1122 5.516,1123 5.185,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 11.958,1132 1.476,1133 1.477,1134 1.499,1135 1.474,1136 1.473,1137 1.805,1138 0.172,1139 4.109,1140 1.412,1141 4.081,1142 4.11,1143 4.039,1144 4.002,1145 5.016,1146 4.008,1147 3.994,1148 4.036,1149 3.92,1150 3.909,1151 4.746,1152 3.906,1153 3.846,1154 3.914,1155 3.728,1156 3.694,1157 4.58,1158 3.692,1159 3.73,1160 3.794,1161 3.612,1162 3.558,1163 4.351,1164 3.563,1165 3.549,1166 3.595,1167 3.447,1168 3.43,1169 4.325,1170 3.426,1171 3.44,1172 3.504,1173 3.293,1174 3.276,1175 4.211,1176 3.272,1177 3.213,1178 3.308,1179 3.058,1180 3.006,1181 3.9,1182 3.005,1183 3.127,1184 3.206,1185 2.973,1186 2.948,1187 3.863,1188 2.938,1189 0.119,1190 0.084,1191 0.172,1192 0.106,1193 0.08,1194 4.516,1195 0.117,1196 3.185,1197 0.023,1198 6.517,1199 0.27,1200 4.026,1201 0.078,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.118,1210 2.125,1211 1.479,1212 2.122,1213 1.967,1214 1.931,1215 2.104,1216 2.088,1217 1.304,1218 2.098,1219 1.826,1220 1.766,1221 2.018,1222 2.017,1223 1.222,1224 2.024,1225 1.702,1226 1.633,1227 1.91,1228 1.885,1229 1.124,1230 1.898,1231 1.538,1232 1.493,1233 1.751,1234 1.709,1235 0.992,1236 1.723,1237 1.437,1238 1.373,1239 1.697,1240 1.622,1241 0.825,1242 1.652,1243 1.192,1244 1.107,1245 1.542,1246 1.464,1247 0.825,1248 1.494,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.805,1254 1.429,1255 4.344,1257 5.652,1259 7.157,1261 8.748,1263 10.384,1265 4.245,1271 12.384,1273 6.172,1275 0.785,1276 7.517,1280 42.756,1281 95.932,1282 222.643,1283 330.893,1284 386.725,1285 388.725,1286 388.725,1287 45.902,1288 8.394,1289 31.84,1290 31.84,1291 30,1292 12.611,1293 4.17,1294 3.248,1295 50.528,1296 197,1297 172,1298 0.124,1299 259.736,1300 447.43,1301 625.515,1302 68758,1304 23.33,1305 0.686,1306 0.61,1307 23.33,1308 20.749,1309 16.636,1310 0.438,1311 0.339,1312 12.734,1313 16.116,1314 12.366,1315 10.221,1316 16.636,1317 12.879,1318 14.899,1319 0.287,1320 0.194,1321 14.899,1322 10.073,1323 12.43,1324 0.186,1325 0.112,1326 12.43,1327 7.507,1328 10.317,1329 0.12,1330 0.062,1331 10.317,1332 5.331,1333 8.75,1334 0.079,1335 0.036,1336 8.75,1337 4.032,1338 0.205,1339 103.018,1340 0.195,1341 32.493,1342 0.312,1343 180,1344 394.316,1345 191.841,1346 386.042,1347 544.98,1348 368,1349 209,1350 408.962,1351 222.257,1352 417.958,1353 610.05,1354 394,1355 9.3} {0 CHEMBL458200,1 1.403,2 16.286,3 4.539,4 20.598,5 140.749,6 6.658,7 0.436,8 4.339,9 4.469,10 3.825,11 3.87,12 5.295,13 3.828,14 4.935,15 5.137,16 4.175,17 4.284,18 5.818,19 4.218,20 5.222,21 5.448,22 4.24,23 4.481,24 6.089,25 4.372,26 5.319,27 5.573,28 4.109,29 4.487,30 6.115,31 4.328,32 5.3,33 5.584,34 4.019,35 4.403,36 6.04,37 4.241,38 5.145,39 5.401,40 3.96,41 4.313,42 5.925,43 4.162,44 5.122,45 5.392,46 3.906,47 4.265,48 5.862,49 4.111,50 5.083,51 5.346,52 3.85,53 4.261,54 5.801,55 4.098,56 0.055,57 1.034,58 16.551,59 6.763,60 8.624,61 9.557,62 0.317,63 1.733,64 31.625,65 10.883,66 23.994,67 16.07,68 0.515,69 2.158,70 42.665,71 15.221,72 42.752,73 22.028,74 0.404,75 2.206,76 46.954,77 18.044,78 47.993,79 25.78,80 0.427,81 2.104,82 46.7,83 16.951,84 49.091,85 24.704,86 0.315,87 1.891,88 39.451,89 14.595,90 39.522,91 21.222,92 0.365,93 1.847,94 38.796,95 13.838,96 35.93,97 20.422,98 0.336,99 1.786,100 37.042,101 13.832,102 32.473,103 20.162,104 10,105 54,106 0.219,107 0.518,108 0.756,109 0.856,110 0.869,111 0.869,112 3.588,113 0.988,114 -4.18,115 -4.12,116 -3.9,119 40.8,120 1,121 3,122 1,124 1,125 7,140 9,141 2,142 2,144 2,156 1,169 12,171 1,172 10,178 15,181 3,182 7,189 11,192 1,193 6,199 11,203 10,211 5,215 12,222 3,225 1,226 8,233 4,236 1,237 4,244 6,249 9,256 8,259 2289,260 23.894,261 23.894,262 23.894,263 23.894,264 23.894,265 21.753,266 29.387,267 14.111,268 24.396,269 19.27,270 19.27,271 19.27,272 19.27,273 19.27,274 15.991,275 34.53,276 6.738,277 20.049,278 4.746,279 2.832,280 1.313,281 0.669,282 0.585,283 0.585,284 4.298,289 1,290 1259,291 3.082,295 578.9,299 180.922,302 2.604,303 22.349,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 74,315 570,316 4.516,317 3.744,318 6.517,319 4.026,320 3.054,321 4.458,322 1.989,323 10.248,324 2.968,325 4.204,326 3.185,327 6.23,328 3.926,329 2.971,330 3.736,331 0.86,332 9.368,333 2.844,334 3.921,335 3.068,336 5.825,337 3.705,338 2.727,339 3.17,340 0.835,341 7.952,342 2.665,343 3.72,344 2.898,345 5.589,346 3.546,347 2.588,348 3.121,349 0.8,350 7.575,351 2.484,352 3.675,353 2.679,354 5.336,355 3.307,356 2.362,357 2.794,358 0.543,359 6.887,360 2.228,361 3.479,362 2.593,363 5.303,364 3.263,365 2.312,366 2.632,368 6.705,369 2.193,370 3.296,371 2.198,372 4.954,373 2.981,374 2.013,375 2.571,377 5.829,378 1.94,379 3.11,380 2.168,381 4.813,382 2.843,383 1.884,384 2.221,386 5.291,387 1.799,388 2.99,389 2.089,390 4.29,391 2.512,392 1.524,393 2.138,395 3.911,396 1.504,397 2.745,398 1.622,399 4.196,400 2.413,401 1.423,402 1.821,404 3.815,405 1.401,406 2.609,407 1.581,408 4.029,409 2.389,410 1.414,411 1.563,413 3.499,414 1.37,415 2.49,416 1.458,417 3.527,418 2.156,419 1.224,420 1.487,422 2.714,423 1.13,424 2.466,425 1.156,426 3.482,427 2.088,428 1.102,429 1.458,431 2.535,432 1.084,433 2.136,434 1.077,435 3.414,436 1.984,437 1,438 1.08,440 2.275,441 0.983,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.767,452 0.479,453 0.797,454 0.023,455 41.5,456 1.186,457 18.5,458 0.529,459 23,460 0.657,461 34.632,462 0.989,463 38.433,464 0.541,465 30.371,466 0.868,467 7.947,468 0.227,469 9.1,470 0.26,471 0.08,473 0.31,479 0.788,480 1.483,481 0.876,482 1.215,483 0.591,484 1.078,485 1.172,486 1.099,487 0.987,488 0.947,489 0.639,490 0.933,491 1.172,492 0.984,493 1.118,494 1.026,495 1.002,496 1.055,497 0.947,498 1.085,499 1.049,500 1.142,501 1.127,502 1.121,503 1.027,504 0.875,505 0.922,506 0.897,507 0.826,508 0.902,509 0.996,510 1.118,511 1.045,512 1.103,513 0.909,514 1.088,515 0.971,516 0.992,517 1.017,518 0.994,519 0.774,520 1.007,521 0.896,522 0.983,523 1.069,524 1.043,525 0.932,526 1.07,527 7,528 0.202,529 3.778,530 1.813,531 1.724,532 0.84,533 0.747,534 0.413,535 0.237,536 0.258,537 22771,538 48856,539 2.141,540 50.7,541 3,542 26,546 3,547 4,550 1.759,551 2.039,552 3.944,553 -0.822,559 99.633,560 1.403,561 3.318,562 4.836,563 5.481,564 5.565,565 5.565,566 3.373,567 5.015,568 5.104,569 4.156,570 2472.54,571 8.909,572 42157.7,577 436.632,578 1.271,579 5.076,580 0.179,581 0.007,582 0.07,583 0.033,584 0.037,585 0.02,586 0.019,587 0.011,588 0.007,589 0.008,590 0.391,591 0.5,592 0.75,593 0.45,594 195.375,595 0.037,596 -0.255,597 0.084,598 -0.094,599 0.016,600 -0.017,601 -0.049,602 0.055,603 0.018,604 0.057,605 0.049,606 0.05,607 -0.03,608 0.089,609 -0.118,610 -0.028,611 -0.016,612 -0.072,613 0.007,614 -0.13,615 -0.075,616 -0.125,617 -0.041,618 -0.114,619 -0.044,620 0.049,621 0.062,622 0.08,623 -0.002,624 0.082,625 -0.056,626 -0.14,627 -0.068,628 -0.102,629 -0.041,630 -0.091,631 -0.046,632 -0.009,633 -0.035,634 -0.018,635 -0.029,636 -0.025,637 -0.064,638 0.002,639 -0.1,640 -0.045,641 -0.096,642 -0.073,643 1.467,644 5.104,645 0.8,646 44.126,647 0.989,648 1.128,649 2.948,650 8.692,651 0.649,652 3.689,653 4.007,654 4.263,655 4.5,656 4.754,657 4.762,658 4.844,659 4.934,660 5.024,661 5.075,662 9.447,663 0.605,664 472.69,665 3.689,666 5.231,667 6.075,668 6.942,669 7.799,670 8.667,671 9.527,672 10.396,673 11.258,674 12.127,675 5.6,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 71,716 18,717 2,718 39,720 75,721 29,722 15,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 3,745 16,746 13,747 1,750 1,755 1,759 1,764 36,765 6,767 6,773 4,777 0.8,778 2,786 1,793 5,797 1,806 1,815 1,819 4,823 2,827 35,833 10,835 1,837 1,838 3,847 2.8,850 1,852 1,854 17.167,855 13.217,856 7.611,857 4.514,858 3.444,859 1.406,860 0.986,861 7.549,862 11.924,863 3.902,864 4.454,865 4.985,866 5.523,867 6.069,868 6.261,869 6.552,870 6.846,871 7.109,872 6.901,873 0.909,874 55,875 13.014,877 5.491,878 7.486,879 25.843,881 21.78,883 1.986,884 69.5,888 423.76,889 150.702,890 26.158,892 36.145,895 150.702,896 459.904,897 26.158,898 17.222,899 27.955,900 85.286,901 46.635,902 35.908,904 423.76,906 423.76,907 176.861,908 36.145,911 376.675,912 83.229,915 44.805,916 115.27,917 16.786,919 423.76,920 62.303,921 150.702,924 423.76,925 48.194,926 111.881,928 52.93,929 423.76,930 62.303,931 150.702,933 0.582,934 0.337,935 0.178,936 0.101,937 26,938 11,939 0.093,940 7,941 1,942 1.071,943 4.793,944 319.813,945 0.071,946 28,947 173.525,951 24.088,952 10.969,953 5.965,954 2.076,955 62.303,956 19.059,957 4.605,961 4.512,964 636.765,965 48.5,970 12.104,974 0.199,975 70.199,976 80.055,977 0.228,978 0.54,979 0.786,980 0.891,981 0.905,982 0.905,983 5.149,984 1.884,985 6.047,986 5.829,987 4.691,988 5.142,989 2.454,990 6.821,991 4.617,992 6.32,993 1.524,994 7.582,995 5.291,996 4.205,997 4.879,998 1.803,999 7.618,1000 4.088,1001 7.605,1002 1.423,1003 9.212,1004 3.911,1005 6.256,1006 7.267,1007 3.179,1008 10.691,1009 6.109,1010 8.92,1011 1.414,1012 10.897,1013 3.815,1014 6.567,1015 7.849,1016 3.237,1017 12.309,1018 6.377,1019 10.268,1020 1.224,1021 12.618,1022 3.499,1023 8.074,1024 9.733,1025 4.317,1026 14.885,1027 7.858,1028 11.64,1029 1.102,1030 14.364,1031 2.714,1032 8.77,1033 10.748,1034 4.691,1035 16.867,1036 8.515,1037 13.03,1038 1,1039 16.129,1040 2.535,1041 10.042,1042 12.413,1043 5.596,1044 19.264,1045 9.759,1046 3.054,1047 0.865,1048 17.908,1049 2.275,1050 10.933,1051 13.658,1052 6.118,1053 21.417,1054 10.614,1055 2.971,1056 10.248,1057 19.699,1058 1.999,1059 12.098,1060 15.222,1061 6.925,1062 23.75,1063 11.751,1064 2.727,1065 9.368,1066 21.499,1067 4.458,1068 13.088,1069 16.588,1070 7.524,1071 25.983,1072 12.707,1073 2.588,1074 7.952,1075 23.307,1076 3.736,1077 14.208,1078 18.107,1079 8.277,1080 28.294,1081 13.797,1082 2.362,1083 7.575,1084 25.122,1085 3.17,1086 15.249,1087 19.534,1088 8.915,1089 30.566,1090 14.805,1091 2.312,1092 6.887,1093 26.943,1094 3.121,1095 16.35,1096 21.035,1097 9.639,1098 32.872,1099 15.876,1100 2.013,1101 6.705,1102 28.77,1103 2.794,1104 17.417,1105 22.493,1106 10.3,1107 35.164,1108 16.91,1109 20986,1110 30874,1111 26.641,1112 46.114,1113 57.893,1114 59.143,1115 58.919,1116 57.721,1117 57.659,1118 71.303,1119 10.052,1120 162.949,1121 55.558,1122 5.516,1123 5.744,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 3.465,1129 17.078,1130 4.968,1131 14.757,1132 1.484,1133 1.516,1134 1.511,1135 1.48,1136 1.478,1137 1.828,1138 0.258,1139 4.178,1140 1.425,1141 4.081,1142 4.109,1143 4.04,1144 4.002,1145 7.427,1146 4.008,1147 3.995,1148 4.035,1149 3.925,1150 3.909,1151 5.016,1152 3.907,1153 3.849,1154 3.913,1155 3.738,1156 3.694,1157 4.741,1158 3.694,1159 3.738,1160 3.79,1161 3.646,1162 3.555,1163 4.58,1164 3.571,1165 3.549,1166 3.595,1167 3.448,1168 3.43,1169 4.329,1170 3.426,1171 3.44,1172 3.504,1173 3.294,1174 3.276,1175 4.251,1176 3.272,1177 3.214,1178 3.308,1179 3.068,1180 3.006,1181 4.209,1182 3.006,1183 3.139,1184 3.206,1185 2.984,1186 2.948,1187 3.899,1188 2.939,1189 0.116,1190 0.096,1191 0.167,1192 0.103,1193 0.078,1194 4.516,1195 0.114,1196 3.744,1197 0.051,1198 6.517,1199 0.263,1200 4.026,1201 0.076,1202 3.054,1203 4.458,1204 1.989,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.116,1210 2.125,1211 1.478,1212 2.121,1213 1.966,1214 1.931,1215 2.103,1216 2.087,1217 1.243,1218 2.095,1219 1.822,1220 1.765,1221 2.002,1222 2.013,1223 1.221,1224 2.014,1225 1.686,1226 1.628,1227 1.881,1228 1.881,1229 1.107,1230 1.885,1231 1.538,1232 1.493,1233 1.751,1234 1.709,1235 0.988,1236 1.723,1237 1.436,1238 1.372,1239 1.697,1240 1.622,1241 0.825,1242 1.652,1243 1.192,1244 1.107,1245 1.542,1246 1.464,1247 0.805,1248 1.494,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.718,1254 1.429,1255 4.369,1257 5.687,1259 7.2,1261 8.8,1263 10.443,1265 3.902,1271 9.622,1273 6.156,1275 0.712,1276 6.553,1280 42.944,1281 99.633,1282 235.582,1283 343.374,1284 389.122,1285 395.122,1286 395.122,1287 54.807,1288 8.48,1289 48.91,1290 48.91,1291 30,1292 12.672,1293 4.248,1294 3.392,1295 52.756,1296 205,1297 172,1298 0.123,1299 260.804,1300 453.58,1301 628.123,1302 76295,1304 24.2,1305 0.691,1306 0.599,1307 24.2,1308 20.95,1309 17.047,1310 0.437,1311 0.329,1312 12.688,1313 16.469,1314 12.327,1315 10.18,1316 17.047,1317 12.844,1318 15.407,1319 0.285,1320 0.186,1321 15.407,1322 10.02,1323 13.008,1324 0.186,1325 0.107,1326 13.008,1327 7.461,1328 10.578,1329 0.119,1330 0.059,1331 10.578,1332 5.246,1333 8.948,1334 0.078,1335 0.034,1336 8.948,1337 3.941,1338 0.204,1339 106.022,1340 0.194,1341 33.227,1342 0.312,1343 186,1344 454.052,1345 200.389,1346 439.546,1347 610.1,1348 416,1349 217,1350 451.302,1351 232.639,1352 458.804,1353 669.41,1354 432,1355 8} {0 CHEMBL458220,1 1.575,2 15.892,3 3.835,4 14.707,5 148.143,6 7.909,7 0.439,8 4.27,9 4.39,10 3.892,11 3.854,12 5.374,13 3.827,14 4.799,15 4.968,16 4.26,17 4.25,18 5.866,19 4.203,20 5.076,21 5.274,22 4.433,23 4.418,24 6.184,25 4.349,26 5.135,27 5.342,28 4.349,29 4.423,30 6.21,31 4.322,32 5.172,33 5.411,34 4.304,35 4.379,36 6.225,37 4.278,38 5.031,39 5.239,40 4.257,41 4.264,42 6.204,43 4.194,44 4.901,45 5.085,46 4.132,47 4.178,48 6.111,49 4.093,50 4.867,51 5.089,52 3.997,53 4.098,54 5.941,55 3.991,56 0.05,57 0.954,58 12.068,59 5.632,60 8.527,61 7.319,62 0.244,63 1.554,64 23.599,65 9.279,66 21.964,67 12.461,68 0.495,69 1.928,70 35.867,71 12.822,72 54.84,73 17.238,74 0.379,75 1.959,76 38.95,77 14.432,78 57.715,79 19.213,80 0.491,81 1.947,82 48.015,83 15.032,84 72.073,85 20.032,86 0.579,87 1.717,88 39.576,89 12.023,90 79.551,91 15.246,92 0.536,93 1.507,94 31.766,95 10.951,96 78.032,97 13.722,98 0.395,99 1.432,100 34.096,101 11.17,102 60.661,103 14.814,104 17,105 57,106 0.248,107 0.56,108 0.693,109 0.801,110 0.844,111 0.844,112 3.642,113 0.926,114 -5.08,115 -4.98,116 -4.66,119 44.6,120 1,125 5,137 2,140 12,141 5,142 1,152 1,156 2,164 1,169 18,171 1,172 2,174 1,176 3,178 21,181 2,182 8,184 1,186 5,189 18,192 2,193 10,197 3,199 13,203 9,206 1,208 1,211 16,215 6,218 2,220 2,222 17,225 1,226 6,229 3,231 2,233 13,236 1,237 7,242 3,244 8,248 1,249 7,252 1,254 2,256 8,259 2764,260 25.258,261 25.258,262 25.258,263 25.258,264 25.258,265 22.416,266 25.283,267 14.911,268 25.623,269 20.19,270 20.19,271 20.19,272 20.19,273 20.19,274 15.883,275 34.187,276 7.046,277 20.812,278 4.448,279 2.461,280 1.62,281 0.927,282 0.658,283 0.658,284 4.348,285 1,289 1,290 1293,291 3.24,295 683.146,302 2.549,303 34.271,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 78.833,315 588,316 4.471,317 3.805,318 6.692,319 4.105,320 3.157,321 4.022,322 1.081,323 10.667,324 3.012,325 4.361,326 3.581,327 6.424,328 3.99,329 3.009,330 3.919,331 1.058,332 9.819,333 2.922,334 4.265,335 3.168,336 6.163,337 3.887,338 2.888,339 3.88,340 0.8,341 9.104,342 2.867,343 4.019,344 3.08,345 6.021,346 3.678,347 2.68,348 3.501,349 0.473,350 8.56,351 2.678,352 3.727,353 2.843,354 5.966,355 3.534,356 2.578,357 2.861,358 0.4,359 8.319,360 2.444,361 3.431,362 2.504,363 5.259,364 3.064,365 2.106,366 2.771,368 6.35,369 2.019,370 3.305,371 2.352,372 4.988,373 2.89,374 1.913,375 2.545,377 5.403,378 1.871,379 3.099,380 2.14,381 4.528,382 2.779,383 1.812,384 2.153,386 4.684,387 1.722,388 3,389 2.076,390 4.373,391 2.571,392 1.624,393 2.03,395 4.06,396 1.509,397 2.873,398 1.808,399 4.094,400 2.414,401 1.414,402 2,404 3.417,405 1.414,406 2.858,407 1.714,408 3.861,409 2.385,410 1.374,411 1.96,413 3.167,414 1.379,415 2.532,416 1.539,417 3.549,418 2.115,419 1.195,420 1.507,422 2.751,423 1.088,424 2.5,425 1.436,426 3.489,427 2.035,428 1.032,429 1.5,431 2.586,432 1.031,433 2.5,434 1.146,435 3.414,436 2,437 1,438 1.5,440 2.275,441 1,442 2.331,443 1.128,444 3.268,445 2,446 1,447 1.296,449 2.136,450 1,451 17.881,452 0.483,453 0.836,454 0.023,455 48.25,456 1.304,457 24.5,458 0.662,459 23.75,460 0.642,461 32.959,462 0.891,463 38.519,464 0.593,465 40.557,466 1.096,467 9.85,468 0.266,469 8.159,470 0.221,471 0.105,473 0.324,479 0.662,480 1.219,481 0.657,482 0.955,483 0.539,484 0.891,485 0.781,486 1.126,487 0.762,488 0.903,489 0.579,490 0.9,491 0.77,492 1.01,493 0.829,494 0.991,495 0.711,496 0.966,497 0.955,498 1.148,499 0.995,500 1.137,501 1.037,502 1.122,503 1.25,504 0.897,505 1.19,506 0.942,507 1.212,508 0.898,509 1.685,510 0.854,511 1.254,512 0.918,513 1.834,514 0.922,515 1.557,516 1.036,517 1.235,518 1.065,519 1.943,520 1.114,521 1.166,522 1.042,523 1.209,524 1.097,525 1.239,526 1.053,527 6,528 0.211,529 4.889,530 2.563,531 1.982,532 1.424,533 0.951,534 0.547,535 0.414,536 0.321,537 24223,538 62240,539 2.116,540 43.1,541 3,542 22,544 1,545 2,550 1.777,551 2,552 3.917,553 0.135,559 102.357,560 1.575,561 3.561,562 4.403,563 5.095,564 5.365,565 5.365,566 3.386,567 4.446,568 5.178,569 4.104,570 2733.54,571 9.09,572 46197.3,577 391.454,578 1.338,579 5.15,580 0.146,581 0.005,582 0.086,583 0.041,584 0.036,585 0.026,586 0.019,587 0.012,588 0.011,589 0.008,590 0.391,591 0.17,592 0.75,593 0.488,594 206.989,595 0.009,596 -0.062,597 0.033,598 -0.009,599 -0.03,600 0.016,601 0.029,603 0.019,604 0.03,605 0.023,606 0.017,607 0.164,608 0.043,609 0.074,610 -0.032,611 0.127,612 -0.016,613 0.021,614 -0.156,615 -0.039,616 -0.151,617 -0.021,618 -0.146,619 -0.098,620 0.06,621 -0.005,622 0.062,623 -0.071,624 0.098,625 -0.201,626 0.155,627 -0.113,628 0.049,629 -0.194,630 0.013,631 -0.094,632 -0.04,633 -0.193,634 -0.089,635 -0.181,636 -0.181,637 -0.029,638 -0.09,639 -0.082,640 -0.089,641 -0.039,642 -0.06,643 1.995,644 5.982,645 0.811,646 49.36,647 1.001,648 1.121,649 3.848,650 14.809,651 0.691,652 3.738,653 4.06,654 4.357,655 4.575,656 4.804,657 4.836,658 4.963,659 5.056,660 5.17,661 5.247,662 9,663 0.657,664 514.07,665 3.738,666 5.283,667 6.142,668 7.013,669 7.883,670 8.759,671 9.633,672 10.51,673 11.386,674 12.265,675 7.7,677 1,678 1,682 2,684 1,688 12,693 6,695 18,702 1,714 65,716 22,717 3,718 41,720 69,721 29,722 18,723 6,724 12,725 5,726 1,730 5,731 5,732 1,733 1,736 1,745 23,746 6,749 1,750 4,755 2,757 1,758 1,759 4,764 28,765 7,766 2,767 8,768 1,773 5,777 1,778 2,793 5,810 2,814 1,815 1,819 5,823 1,824 1,827 37,833 5,834 2,838 2,846 1,847 3.1,850 2,854 18.5,855 11.91,856 8.139,857 3.89,858 3.922,859 1.468,860 1.009,861 7.705,862 12.299,863 4.007,864 4.57,865 5.134,866 5.629,867 6.135,868 6.303,869 6.668,870 6.967,871 7.329,872 7.642,873 0.909,874 62,875 13.726,877 5.898,878 7.724,879 26.234,881 21.667,883 2.224,884 82.278,888 306.049,889 176.467,890 58.811,891 39.149,892 50.29,895 176.467,896 395.487,897 58.811,898 8.825,899 31.541,900 131.726,901 86.775,902 38.472,904 294.278,905 39.149,906 306.049,907 235.278,908 50.29,909 39.149,911 306.049,912 50.29,915 78.164,916 141.809,917 54.453,919 306.049,920 109.1,921 215.616,924 306.049,925 44.88,926 137.714,927 36.022,928 106.102,929 306.049,930 109.1,931 215.616,933 0.582,934 0.352,935 0.185,936 0.099,937 27,938 12,939 0.087,940 6,942 1,943 4.809,944 355.211,946 30,947 180.75,951 25.218,952 11.304,953 5.619,955 109.1,956 23.199,961 5.146,963 36.022,964 630.765,965 54,970 25.947,972 1.662,973 4.392,974 0.321,975 65.091,976 72.837,977 0.261,978 0.591,979 0.731,980 0.846,981 0.891,982 0.891,983 5.25,984 1.812,985 6.12,986 5.403,987 4.745,988 5.257,989 1.988,990 6.93,991 4.686,992 6.444,993 1.624,994 7.684,995 4.684,996 4.29,997 4.956,998 0.325,999 7.832,1000 4.196,1001 7.744,1002 1.414,1003 9.351,1004 4.06,1005 6.34,1006 7.388,1007 1.924,1008 10.941,1009 6.227,1010 9.079,1011 1.374,1012 11.079,1013 3.417,1014 6.735,1015 7.919,1016 0.268,1017 12.659,1018 6.581,1019 10.449,1020 1.195,1021 12.845,1022 3.167,1023 8.227,1024 9.805,1025 1.988,1026 15.273,1027 8.055,1028 11.841,1029 1.032,1030 14.636,1031 2.751,1032 9.004,1033 10.728,1034 0.188,1035 17.314,1036 8.792,1037 13.252,1038 1,1039 16.445,1040 2.586,1041 10.27,1042 12.37,1043 2.086,1044 19.753,1045 10.036,1046 3.157,1047 1,1048 18.266,1049 2.275,1050 11.226,1051 13.494,1052 0.125,1053 21.94,1054 10.951,1055 3.009,1056 10.667,1057 20.096,1058 2.136,1059 12.399,1060 15.013,1061 2.196,1062 24.311,1063 12.096,1064 2.888,1065 9.819,1066 21.933,1067 4.022,1068 13.439,1069 16.245,1070 0.082,1071 26.569,1072 13.095,1073 2.68,1074 9.104,1075 23.776,1076 3.919,1077 14.574,1078 17.697,1079 2.313,1080 28.916,1081 14.197,1082 2.578,1083 8.56,1084 25.623,1085 3.88,1086 15.654,1087 18.99,1088 0.054,1089 31.212,1090 15.236,1091 2.106,1092 8.319,1093 27.475,1094 3.501,1095 16.776,1096 20.407,1097 2.435,1098 33.552,1099 16.322,1100 1.913,1101 6.35,1102 29.329,1103 2.861,1104 17.876,1105 21.733,1106 0.035,1107 35.869,1108 17.38,1109 22429,1110 36162,1111 27.739,1112 44.932,1113 62.11,1114 64.416,1115 62.911,1116 61.221,1117 61.112,1118 78.795,1119 7.624,1120 174.637,1121 59.238,1122 5.471,1123 5.805,1124 6.494,1125 5.172,1126 5.157,1127 7.022,1128 2.162,1129 18.093,1130 5.012,1131 16.129,1132 1.515,1133 1.571,1134 1.534,1135 1.493,1136 1.491,1137 1.922,1138 0.186,1139 4.259,1140 1.445,1141 4.042,1142 4.072,1143 4.035,1144 3.977,1145 7.431,1146 3.975,1147 3.957,1148 3.988,1149 3.956,1150 3.888,1151 7.427,1152 3.887,1153 3.878,1154 3.926,1155 3.868,1156 3.727,1157 4.879,1158 3.743,1159 3.763,1160 3.794,1161 3.694,1162 3.695,1163 4.825,1164 3.69,1165 3.667,1166 3.726,1167 3.603,1168 3.463,1169 4.724,1170 3.476,1171 3.324,1172 3.365,1173 3.338,1174 3.134,1175 4.58,1176 3.158,1177 3.182,1178 3.26,1179 3.227,1180 3.044,1181 4.487,1182 3.029,1183 3.135,1184 3.207,1185 2.998,1186 2.964,1187 4.371,1188 2.956,1189 0.109,1190 0.093,1191 0.163,1192 0.1,1193 0.077,1194 4.471,1195 0.098,1196 3.805,1197 0.026,1198 6.692,1199 0.26,1200 4.105,1201 0.073,1202 3.157,1203 4.022,1204 1.081,1205 10.667,1206 3.012,1207 1.998,1208 1.977,1209 2.093,1210 2.077,1211 1.264,1212 2.08,1213 1.943,1214 1.915,1215 2.049,1216 2.045,1217 1.229,1218 2.046,1219 1.809,1220 1.76,1221 1.975,1222 2,1223 1.191,1224 2.003,1225 1.766,1226 1.737,1227 1.896,1228 1.864,1229 0.957,1230 1.873,1231 1.59,1232 1.535,1233 1.697,1234 1.81,1235 0.825,1236 1.79,1237 1.241,1238 1.201,1239 1.553,1240 1.469,1241 0.82,1242 1.47,1243 1.211,1244 1.136,1245 1.513,1246 1.418,1247 0.629,1248 1.449,1249 1.153,1250 1.064,1251 1.418,1252 1.376,1253 0.595,1254 1.429,1255 4.419,1257 5.74,1259 7.268,1261 8.882,1263 10.537,1265 1.922,1266 6.463,1271 3.492,1272 6.293,1276 3.44,1280 42.686,1281 102.357,1282 231.468,1283 286.17,1284 331.189,1285 348.699,1286 348.699,1287 71.006,1288 8.377,1289 79.26,1290 79.26,1291 30,1292 12.802,1293 4.524,1294 3.807,1295 57.075,1296 200,1297 205,1298 0.135,1299 264.222,1300 469.23,1301 636.462,1302 62491,1303 1.5,1304 25.777,1305 0.697,1306 0.577,1307 26.277,1308 21.333,1309 18.008,1310 0.439,1311 0.309,1312 12.17,1313 17.212,1314 11.849,1315 9.803,1316 18.297,1317 12.655,1318 15.949,1319 0.28,1320 0.165,1321 16.283,1322 9.409,1323 14.229,1324 0.185,1325 0.092,1326 14.706,1327 7.048,1328 11.379,1329 0.119,1330 0.049,1331 11.735,1332 4.752,1333 9.211,1334 0.076,1335 0.026,1336 9.443,1337 3.204,1338 0.22,1339 114.891,1340 0.19,1341 34.344,1342 0.353,1343 196,1344 543.276,1345 225.94,1346 562.691,1347 764.34,1348 526,1349 232,1350 543.147,1351 263.019,1352 562.362,1353 824.28,1354 530,1355 6.34} {0 CHEMBL459061,1 1.295,2 15.515,3 6.158,4 37.921,5 137.009,6 6.338,7 0.459,8 4.315,9 4.448,10 3.764,11 3.871,12 5.202,13 3.812,14 4.92,15 5.122,16 4.097,17 4.29,18 5.727,19 4.2,20 5.23,21 5.48,22 4.14,23 4.467,24 5.966,25 4.331,26 5.277,27 5.547,28 4.027,29 4.453,30 5.964,31 4.278,32 5.243,33 5.522,34 3.943,35 4.39,36 5.911,37 4.213,38 5.148,39 5.416,40 3.864,41 4.317,42 5.821,43 4.137,44 5.115,45 5.401,46 3.798,47 4.246,48 5.749,49 4.067,50 5.039,51 5.311,52 3.762,53 4.228,54 5.667,55 4.047,56 0.079,57 0.992,58 16.946,59 7.017,60 10.007,61 9.993,62 0.236,63 1.695,64 31.557,65 11.633,66 22.484,67 17.074,68 0.4,69 2.155,70 42.998,71 15.773,72 33.434,73 23.218,74 0.343,75 2.147,76 44.464,77 17.618,78 33.864,79 25.447,80 0.326,81 2.034,82 43.035,83 16.766,84 32.469,85 24.182,86 0.268,87 1.901,88 39.037,89 15.258,90 29.06,91 22.175,92 0.325,93 1.833,94 37.991,95 14.137,96 27.025,97 20.861,98 0.258,99 1.726,100 34.916,101 13.778,102 21.142,103 20.082,104 2,105 50,106 0.203,107 0.481,108 0.708,109 0.84,110 0.844,111 0.844,112 3.531,113 1.038,114 -5.41,115 -5.29,116 -4.94,119 41.4,120 1,121 6,122 1,125 6,140 9,141 2,142 2,144 2,169 14,172 12,178 16,181 1,182 8,189 11,192 1,193 6,199 15,203 6,211 11,215 8,222 9,225 1,226 4,233 8,236 1,237 2,244 11,249 5,256 10,259 1931,260 22.947,261 22.947,262 22.947,263 22.947,264 22.947,265 20.936,266 27.463,267 13.856,268 23.37,269 18.335,270 18.335,271 18.335,272 18.335,273 18.335,274 15.327,275 32.073,276 6.642,277 19.019,278 4.834,279 3.07,280 1.625,281 0.782,282 0.754,283 0.754,284 4.247,289 1,290 1141,291 2.915,295 538.248,299 167.044,302 2.498,303 14.24,306 0.75,307 1,308 1,309 1,310 1,311 1,312 1,313 0.96,314 68.5,315 512,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.178,326 3.134,327 6.17,328 3.867,329 2.905,330 3.731,331 0.8,332 9.188,333 2.806,334 3.732,335 2.906,336 5.599,337 3.643,338 2.68,339 3.17,340 0.8,341 7.717,342 2.581,343 3.712,344 2.699,345 5.338,346 3.36,347 2.411,348 2.871,350 6.925,351 2.282,352 3.531,353 2.595,354 5.306,355 3.282,356 2.332,357 2.634,359 6.707,360 2.215,361 3.297,362 2.189,363 4.964,364 3.041,365 2.071,366 2.587,368 5.881,369 1.998,370 3.145,371 2.112,372 4.813,373 2.846,374 1.888,375 2.223,377 5.291,378 1.803,379 2.991,380 1.805,381 4.369,382 2.714,383 1.723,384 2.174,386 4.296,387 1.706,388 2.9,389 1.598,390 4.196,391 2.512,392 1.524,393 1.959,395 3.817,396 1.504,397 2.651,398 1.463,399 3.549,400 2.269,401 1.284,402 1.707,404 2.819,405 1.264,406 2.49,407 1.344,408 3.52,409 2.152,410 1.216,411 1.487,413 2.702,414 1.127,415 2.193,416 1.077,417 3.429,418 1.984,419 1,420 1.162,422 2.387,423 0.983,424 2.136,425 1.077,426 3.414,427 1.984,428 1,429 1.079,431 2.275,432 0.983,433 2,434 1.073,435 3.312,436 1.978,437 1,438 1,440 2.136,441 0.976,442 2,443 0.963,444 3.247,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.033,452 0.486,453 0.602,454 0.018,455 38,456 1.152,457 17,458 0.515,459 21,460 0.636,461 33.659,462 1.02,463 36.167,464 0.517,465 24.932,466 0.756,467 6.803,468 0.206,469 9.439,470 0.286,471 0.031,473 0.268,479 0.896,480 1.383,481 0.94,482 1.182,483 0.828,484 1.082,485 1.404,486 1.177,487 1.061,488 1.046,489 0.911,490 1.025,491 1.319,492 0.991,493 1.082,494 0.984,495 1.065,496 1.005,497 0.897,498 1.032,499 1.002,500 1.07,501 0.864,502 1.05,503 1.187,504 0.933,505 0.984,506 0.959,507 1.183,508 0.963,509 1.03,510 1.128,511 1.067,512 1.115,513 1.119,514 1.102,515 1.117,516 0.95,517 1.02,518 0.951,519 1.025,520 0.974,521 0.838,522 1.017,523 1.051,524 1.059,525 0.855,526 1.069,527 5.5,528 0.161,529 2.889,530 1.563,531 1.262,532 0.674,533 0.604,534 0.307,535 0.151,536 0.178,537 19733,538 35881,539 2.187,540 52.9,541 5,542 21,546 3,547 8,550 1.744,551 2.129,552 3.879,553 -0.871,559 90.664,560 1.295,561 3.06,562 4.505,563 5.347,564 5.376,565 5.376,566 3.363,567 4.537,568 5.019,569 4.086,570 2157.45,571 8.739,572 35112.6,577 429.05,578 1.027,579 5.01,580 0.149,581 0.007,582 0.058,583 0.031,584 0.029,585 0.017,586 0.017,587 0.009,588 0.005,589 0.006,590 0.327,591 0.33,592 0.88,593 0.306,594 180.759,595 0.077,596 -0.173,597 0.087,598 -0.054,599 0.115,600 0.005,601 -0.086,602 -0.04,603 -0.022,604 -0.021,605 0.119,606 -0.016,607 -0.052,608 0.06,609 -0.064,611 0.027,612 -0.026,613 0.073,614 -0.063,615 -0.022,616 -0.07,617 0.102,618 -0.055,619 -0.058,620 0.014,621 0.004,622 0.026,623 -0.113,624 0.019,625 -0.041,626 -0.153,627 -0.085,628 -0.12,629 -0.134,630 -0.11,631 -0.046,632 0.029,633 -0.029,634 0.01,635 -0.097,636 -0.007,637 -0.014,638 -0.027,639 -0.077,640 -0.064,641 -0.072,642 -0.075,643 0.768,644 2.669,645 0.848,646 39.409,647 0.981,648 1.125,649 4.178,650 17.452,651 0.649,652 3.638,653 3.932,654 4.19,655 4.443,656 4.682,657 4.663,658 4.762,659 4.852,660 4.927,661 4.97,662 9.032,663 0.596,664 443.69,665 3.638,666 5.165,667 6.004,668 6.864,669 7.715,670 8.578,671 9.433,672 10.297,673 11.154,674 12.019,675 4.3,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 70,716 17,717 2,718 37,720 74,721 29,722 15,723 5,724 7,730 5,731 6,736 1,740 5,741 1,743 6,745 15,746 14,747 1,764 37,765 4,767 4,773 3,777 0.8,778 1,786 1,793 5,797 1,815 1,819 4,823 1,827 33,833 12,835 1,837 1,838 2,847 1.4,852 1,854 15.5,855 12.6,856 7.25,857 4.747,858 3.334,859 1.402,860 0.994,861 7.358,862 11.635,863 3.839,864 4.382,865 4.929,866 5.49,867 6.036,868 6.216,869 6.501,870 6.789,871 7.031,872 6.802,873 1,874 50,875 12.282,877 5.151,878 7.313,879 24.909,881 21.229,883 1.813,884 59.833,888 435.531,889 143.099,890 23.034,892 11,895 143.099,896 446.531,897 23.034,898 8.825,899 30.328,900 85.286,901 16.786,902 35.908,904 435.531,906 435.531,907 166.133,908 11,911 341.362,912 105.169,915 47.178,916 102.169,917 16.786,919 435.531,920 34.034,921 143.099,924 435.531,925 48.988,926 100.36,928 27.785,929 435.531,930 34.034,931 143.099,933 0.572,934 0.33,935 0.183,936 0.103,937 24,938 9,939 0.095,940 7,941 1,942 1.071,943 4.699,944 294.095,945 0.071,946 28,947 156.465,951 22.528,952 10.778,953 5.814,954 2.117,955 34.034,956 19.67,957 4.616,961 4.935,964 612.664,965 45.5,975 68.654,976 78.763,977 0.211,978 0.499,979 0.735,980 0.872,981 0.877,982 0.877,983 5.07,984 1.723,985 5.953,986 5.291,987 4.615,988 5.069,989 1.481,990 6.708,991 4.546,992 6.223,993 1.524,994 7.468,995 4.296,996 4.007,997 4.732,998 0.57,999 7.466,1000 3.887,1001 7.497,1002 1.284,1003 9.08,1004 3.817,1005 6.151,1006 7.198,1007 1.104,1008 10.556,1009 6.011,1010 8.804,1011 1.216,1012 10.753,1013 2.819,1014 6.382,1015 7.755,1016 0.479,1017 12.18,1018 6.19,1019 10.148,1020 1,1021 12.466,1022 2.702,1023 7.946,1024 9.681,1025 0.854,1026 14.757,1027 7.739,1028 11.518,1029 1,1030 14.207,1031 2.387,1032 8.595,1033 10.693,1034 0.346,1035 16.756,1036 8.342,1037 12.909,1038 1,1039 15.97,1040 2.275,1041 9.897,1042 12.378,1043 0.661,1044 19.153,1045 9.626,1046 3.054,1047 0.865,1048 17.749,1049 2.136,1050 10.762,1051 13.627,1052 0.237,1053 21.321,1054 10.452,1055 2.905,1056 10.248,1057 19.541,1058 1.999,1059 11.942,1060 15.201,1061 0.505,1062 23.655,1063 11.612,1064 2.68,1065 9.188,1066 21.343,1067 4.458,1068 12.92,1069 16.571,1070 0.158,1071 25.898,1072 12.554,1073 2.411,1074 7.717,1075 23.155,1076 3.731,1077 14.046,1078 18.095,1079 0.382,1080 28.212,1081 13.657,1082 2.332,1083 6.925,1084 24.974,1085 3.17,1086 15.081,1087 19.525,1088 0.104,1089 30.491,1090 14.66,1091 2.071,1092 6.707,1093 26.799,1094 2.871,1095 16.185,1096 21.028,1097 0.285,1098 32.801,1099 15.739,1100 1.888,1101 5.881,1102 28.63,1103 2.634,1104 17.249,1105 22.488,1106 0.068,1107 35.097,1108 16.773,1109 18015,1110 24474,1111 25.83,1112 45.415,1113 54.358,1114 54.623,1115 54.886,1116 54.442,1117 54.402,1118 67.03,1119 4.92,1120 150.011,1121 52.537,1122 5.516,1123 5.185,1124 6.319,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 8.232,1132 1.469,1133 1.476,1134 1.483,1135 1.471,1136 1.47,1137 1.812,1138 0.133,1139 4.054,1140 1.42,1141 4.081,1142 4.109,1143 4.039,1144 4.003,1145 5.016,1146 4.008,1147 3.995,1148 4.036,1149 3.919,1150 3.912,1151 4.744,1152 3.909,1153 3.848,1154 3.913,1155 3.726,1156 3.702,1157 4.58,1158 3.699,1159 3.73,1160 3.786,1161 3.597,1162 3.611,1163 4.329,1164 3.598,1165 3.548,1166 3.594,1167 3.447,1168 3.43,1169 4.254,1170 3.426,1171 3.439,1172 3.503,1173 3.291,1174 3.277,1175 4.207,1176 3.273,1177 3.166,1178 3.235,1179 3.03,1180 2.999,1181 3.887,1182 2.995,1183 3.111,1184 3.206,1185 2.918,1186 2.941,1187 3.787,1188 2.921,1189 0.122,1190 0.086,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.185,1197 0.023,1198 6.517,1199 0.277,1200 4.026,1201 0.08,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.122,1210 2.125,1211 1.479,1212 2.122,1213 1.97,1214 1.935,1215 2.105,1216 2.088,1217 1.402,1218 2.101,1219 1.837,1220 1.777,1221 2.05,1222 2.015,1223 1.222,1224 2.03,1225 1.736,1226 1.679,1227 1.935,1228 1.879,1229 1.138,1230 1.902,1231 1.538,1232 1.494,1233 1.751,1234 1.708,1235 0.997,1236 1.723,1237 1.437,1238 1.373,1239 1.697,1240 1.621,1241 0.825,1242 1.651,1243 1.157,1244 1.091,1245 1.513,1246 1.376,1247 0.825,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.805,1254 1.429,1255 4.317,1257 5.617,1259 7.117,1261 8.707,1263 10.341,1265 2.03,1271 14.364,1273 6.169,1275 0.797,1276 5.136,1280 41.735,1281 90.664,1282 214.166,1283 315.327,1284 374.295,1285 376.295,1286 376.295,1287 44.299,1288 8.301,1289 28.6,1290 28.6,1291 30,1292 12.567,1293 4.17,1294 3.248,1295 48.336,1296 185,1297 151,1298 0.125,1299 252.941,1300 436.43,1301 608.937,1302 61231,1304 22.46,1305 0.681,1306 0.606,1307 22.46,1308 20.009,1309 16.242,1310 0.439,1311 0.346,1312 12.69,1313 15.835,1314 12.379,1315 10.232,1316 16.242,1317 12.799,1318 14.277,1319 0.286,1320 0.197,1321 14.277,1322 9.831,1323 12.019,1324 0.185,1325 0.113,1326 12.019,1327 7.359,1328 10.166,1329 0.121,1330 0.065,1331 10.166,1332 5.419,1333 8.526,1334 0.08,1335 0.038,1336 8.526,1337 4.073,1338 0.207,1339 99.958,1340 0.197,1341 31.69,1342 0.317,1343 174,1344 368.671,1345 184.093,1346 362.417,1347 515.18,1348 346,1349 202,1350 390.201,1351 213.037,1352 397.506,1353 582,1354 377,1355 9} {0 CHEMBL459067,1 1.295,2 15.515,3 5.234,4 27.395,5 135.859,6 6.338,7 0.459,8 4.314,9 4.448,10 3.76,11 3.876,12 5.206,13 3.816,14 4.918,15 5.117,16 4.093,17 4.304,18 5.728,19 4.21,20 5.237,21 5.484,22 4.137,23 4.487,24 5.971,25 4.346,26 5.294,27 5.564,28 4.026,29 4.473,30 5.974,31 4.293,32 5.255,33 5.535,34 3.947,35 4.399,36 5.924,37 4.218,38 5.159,39 5.431,40 3.863,41 4.316,42 5.831,43 4.135,44 5.107,45 5.389,46 3.797,47 4.25,48 5.743,49 4.069,50 5.055,51 5.331,52 3.762,53 4.235,54 5.676,55 4.051,56 0.082,57 0.99,58 16.941,59 7.045,60 10.158,61 10.01,62 0.229,63 1.688,64 31.412,65 11.885,66 22.399,67 17.293,68 0.383,69 2.159,70 43.112,71 16.367,72 33.636,73 23.843,74 0.332,75 2.169,76 45.05,77 18.241,78 34.154,79 26.196,80 0.314,81 2.053,82 43.495,83 17.152,84 33.636,85 24.682,86 0.278,87 1.914,88 39.491,89 15.292,90 30.489,91 22.293,92 0.305,93 1.817,94 37.572,95 14.328,96 26.868,97 20.991,98 0.231,99 1.742,100 35.405,101 13.974,102 21.472,103 20.437,104 2,105 50,106 0.203,107 0.498,108 0.724,109 0.84,110 0.849,111 0.849,112 3.531,113 1.034,114 -5.14,115 -5.03,116 -4.71,119 41.4,120 1,121 5,122 2,125 6,140 9,141 3,142 1,144 2,169 17,172 8,176 2,178 22,181 1,182 5,186 1,189 19,192 1,193 4,197 1,199 18,203 5,208 2,211 12,215 6,220 2,222 7,225 1,226 5,231 2,233 8,237 3,242 1,244 6,249 7,254 2,256 8,259 1931,260 22.947,261 22.947,262 22.947,263 22.947,264 22.947,265 20.936,266 28.959,267 13.856,268 23.333,269 18.335,270 18.335,271 18.335,272 18.335,273 18.335,274 15.327,275 32.581,276 6.642,277 18.934,278 4.834,279 2.958,280 1.521,281 0.782,282 0.725,283 0.725,284 4.247,289 1,290 1141,291 2.915,295 538.248,299 167.044,302 2.498,303 15.319,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 68.5,315 512,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.178,326 3.12,327 6.17,328 3.904,329 2.905,330 3.731,331 0.8,332 9.188,333 2.901,334 3.732,335 2.902,336 5.599,337 3.654,338 2.68,339 3.17,340 0.4,341 7.717,342 2.624,343 3.712,344 2.683,345 5.338,346 3.37,347 2.411,348 2.871,350 6.925,351 2.31,352 3.531,353 2.593,354 5.306,355 3.283,356 2.332,357 2.634,359 6.707,360 2.216,361 3.297,362 2.188,363 4.964,364 3.043,365 2.071,366 2.587,368 5.881,369 2.002,370 3.145,371 2.117,372 4.813,373 2.846,374 1.888,375 2.223,377 5.291,378 1.802,379 2.991,380 1.951,381 4.369,382 2.692,383 1.723,384 2.174,386 4.296,387 1.668,388 2.9,389 1.599,390 4.196,391 2.512,392 1.524,393 1.959,395 3.817,396 1.504,397 2.651,398 1.466,399 3.549,400 2.261,401 1.284,402 1.707,404 2.819,405 1.253,406 2.49,407 1.386,408 3.52,409 2.152,410 1.216,411 1.487,413 2.702,414 1.127,415 2.193,416 1.077,417 3.429,418 1.984,419 1,420 1.162,422 2.387,423 0.983,424 2.136,425 1.077,426 3.414,427 1.984,428 1,429 1.079,431 2.275,432 0.983,433 2,434 1.06,435 3.312,436 1.976,437 1,438 1,440 2.136,441 0.974,442 2,443 0.963,444 3.247,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.033,452 0.486,453 0.602,454 0.018,455 37.25,456 1.129,457 16.5,458 0.5,459 20.75,460 0.629,461 33.988,462 1.03,463 36.167,464 0.517,465 24.603,466 0.746,467 6.726,468 0.204,469 9.516,470 0.288,471 0.031,473 0.274,479 0.926,480 1.312,481 0.949,482 1.147,483 0.875,484 1.064,485 1.361,486 1.137,487 1.073,488 1.05,489 0.969,490 1.037,491 1.221,492 0.978,493 1.082,494 1.006,495 1.065,496 1.026,497 0.817,498 1.027,499 0.993,500 1.083,501 0.825,502 1.06,503 1.106,504 0.971,505 0.968,506 0.986,507 1.09,508 0.978,509 1.046,510 1.096,511 1.049,512 1.081,513 1.071,514 1.072,515 1.029,516 0.983,517 1.013,518 0.988,519 0.962,520 1,521 0.827,522 1.053,523 1.028,524 1.06,525 0.841,526 1.059,527 5.5,528 0.161,529 2.889,530 1.563,531 1.262,532 0.674,533 0.604,534 0.307,535 0.151,536 0.178,537 19733,538 36397,539 2.187,540 52.9,541 4,542 21,545 1,546 3,547 8,550 1.744,551 2.129,552 3.879,553 -0.472,559 90.664,560 1.295,561 3.171,562 4.608,563 5.347,564 5.404,565 5.404,566 3.363,567 4.537,568 5.019,569 4.086,570 2157.45,571 8.739,572 35112.6,577 429.05,578 1.027,579 5.01,580 0.149,581 0.007,582 0.058,583 0.031,584 0.029,585 0.017,586 0.017,587 0.009,588 0.005,589 0.006,590 0.327,591 0.33,592 0.88,593 0.306,594 180.759,595 0.046,596 -0.101,597 0.078,598 -0.019,599 0.081,600 0.024,601 -0.101,602 -0.004,603 -0.041,604 -0.013,605 0.068,606 -0.019,607 -0.045,608 0.062,609 -0.073,610 -0.008,611 0.001,612 -0.035,613 0.085,614 -0.07,615 -0.021,616 -0.075,617 0.097,618 -0.058,619 -0.027,620 -0.033,621 0.014,622 0.004,623 -0.065,624 0.009,625 -0.042,626 -0.125,627 -0.066,628 -0.093,629 -0.102,630 -0.085,631 -0.021,632 -0.011,633 -0.029,634 -0.014,635 -0.063,636 -0.023,637 -0.036,638 -0.074,639 -0.058,640 -0.065,641 -0.065,642 -0.064,643 0.768,644 2.669,645 0.848,646 39.409,647 0.981,648 1.125,649 3.91,650 15.284,651 0.649,652 3.638,653 3.932,654 4.19,655 4.443,656 4.682,657 4.663,658 4.762,659 4.852,660 4.927,661 4.97,662 9.032,663 0.596,664 443.69,665 3.638,666 5.165,667 6.004,668 6.864,669 7.715,670 8.578,671 9.433,672 10.297,673 11.154,674 12.019,675 4.3,677 1,678 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 70,716 17,717 2,718 37,720 74,721 29,722 15,723 5,724 7,730 5,731 6,736 1,740 4,741 2,743 5,745 15,746 14,747 2,764 37,765 4,766 1,767 4,773 3,777 0.8,778 1,786 1,793 5,797 1,814 1,815 1,819 4,823 1,827 33,833 11,834 1,835 1,837 2,838 1,847 1.4,852 1,854 15.5,855 12.483,856 7.25,857 4.664,858 3.334,859 1.402,860 0.992,861 7.358,862 11.635,863 3.839,864 4.382,865 4.929,866 5.49,867 6.036,868 6.216,869 6.501,870 6.789,871 7.031,872 6.802,873 1,874 50,875 12.282,877 5.168,878 7.323,879 24.884,881 21.311,883 1.823,884 60.167,888 423.76,889 140.993,890 37.921,892 11,895 140.993,896 434.76,897 37.921,898 8.825,899 27.794,900 103.297,901 16.786,902 33.213,904 423.76,906 423.76,907 178.914,908 11,911 329.591,912 105.169,915 62.655,916 99.474,917 16.786,919 423.76,920 48.92,921 140.993,924 423.76,925 46.882,926 97.236,927 18.011,928 27.785,929 423.76,930 48.92,931 140.993,933 0.572,934 0.33,935 0.183,936 0.103,937 24,938 9,939 0.095,940 7,941 1,942 1.071,943 4.699,944 294.095,945 0.071,946 28,947 156.465,951 22.528,952 10.778,953 5.814,954 2.117,955 48.92,956 19.794,957 4.616,961 5.082,963 18.011,964 613.674,965 45.5,975 68.654,976 78.763,977 0.211,978 0.517,979 0.752,980 0.872,981 0.882,982 0.882,983 5.07,984 1.723,985 5.953,986 5.291,987 4.615,988 5.069,989 1.324,990 6.708,991 4.558,992 6.223,993 1.524,994 7.468,995 4.296,996 4.007,997 4.732,998 0.325,999 7.466,1000 3.931,1001 7.497,1002 1.284,1003 9.08,1004 3.817,1005 6.151,1006 7.198,1007 0.958,1008 10.556,1009 6.047,1010 8.804,1011 1.216,1012 10.753,1013 2.819,1014 6.382,1015 7.755,1016 0.268,1017 12.18,1018 6.266,1019 10.148,1020 1,1021 12.466,1022 2.702,1023 7.946,1024 9.681,1025 0.736,1026 14.757,1027 7.807,1028 11.518,1029 1,1030 14.207,1031 2.387,1032 8.595,1033 10.693,1034 0.188,1035 16.756,1036 8.445,1037 12.909,1038 1,1039 15.97,1040 2.275,1041 9.897,1042 12.378,1043 0.57,1044 19.153,1045 9.725,1046 3.054,1047 0.865,1048 17.749,1049 2.136,1050 10.762,1051 13.627,1052 0.125,1053 21.321,1054 10.579,1055 2.905,1056 10.248,1057 19.541,1058 1.999,1059 11.942,1060 15.201,1061 0.439,1062 23.655,1063 11.739,1064 2.68,1065 9.188,1066 21.343,1067 4.458,1068 12.92,1069 16.571,1070 0.082,1071 25.898,1072 12.702,1073 2.411,1074 7.717,1075 23.155,1076 3.731,1077 14.046,1078 18.095,1079 0.334,1080 28.212,1081 13.81,1082 2.332,1083 6.925,1084 24.974,1085 3.17,1086 15.081,1087 19.525,1088 0.054,1089 30.491,1090 14.827,1091 2.071,1092 6.707,1093 26.799,1094 2.871,1095 16.185,1096 21.028,1097 0.252,1098 32.801,1099 15.912,1100 1.888,1101 5.881,1102 28.63,1103 2.634,1104 17.249,1105 22.488,1106 0.035,1107 35.097,1108 16.957,1109 18015,1110 24628,1111 25.83,1112 45.415,1113 54.358,1114 54.68,1115 54.886,1116 54.414,1117 54.402,1118 67.03,1119 4.12,1120 150.011,1121 52.775,1122 5.516,1123 5.185,1124 6.319,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 8.232,1132 1.469,1133 1.478,1134 1.483,1135 1.471,1136 1.47,1137 1.812,1138 0.111,1139 4.054,1140 1.426,1141 4.082,1142 4.11,1143 4.04,1144 4.005,1145 5.016,1146 4.01,1147 4.005,1148 4.041,1149 3.927,1150 3.94,1151 4.734,1152 3.933,1153 3.853,1154 3.916,1155 3.73,1156 3.717,1157 4.58,1158 3.711,1159 3.712,1160 3.774,1161 3.586,1162 3.573,1163 4.346,1164 3.567,1165 3.548,1166 3.594,1167 3.447,1168 3.43,1169 4.325,1170 3.426,1171 3.438,1172 3.502,1173 3.29,1174 3.274,1175 4.211,1176 3.27,1177 3.166,1178 3.234,1179 3.029,1180 2.997,1181 3.888,1182 2.993,1183 3.111,1184 3.206,1185 2.918,1186 2.941,1187 3.792,1188 2.921,1189 0.122,1190 0.086,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.185,1197 0.023,1198 6.517,1199 0.277,1200 4.026,1201 0.08,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.138,1210 2.125,1211 1.486,1212 2.122,1213 1.994,1214 1.962,1215 2.107,1216 2.092,1217 1.42,1218 2.109,1219 1.846,1220 1.788,1221 2.053,1222 2.017,1223 1.222,1224 2.033,1225 1.701,1226 1.642,1227 1.902,1228 1.869,1229 1.117,1230 1.884,1231 1.538,1232 1.493,1233 1.751,1234 1.707,1235 0.989,1236 1.722,1237 1.435,1238 1.371,1239 1.697,1240 1.621,1241 0.825,1242 1.651,1243 1.157,1244 1.091,1245 1.513,1246 1.376,1247 0.825,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.805,1254 1.429,1255 4.317,1257 5.617,1259 7.117,1261 8.707,1263 10.341,1265 2.03,1271 12.76,1272 3.486,1273 6.169,1275 1.549,1276 2.565,1280 41.735,1281 90.664,1282 222,1283 322.546,1284 374.295,1285 378.295,1286 378.295,1287 45.756,1288 8.301,1289 37.39,1290 37.39,1291 30,1292 12.567,1293 4.17,1294 3.248,1295 48.336,1296 185,1297 151,1298 0.125,1299 252.941,1300 436.43,1301 608.937,1302 61231,1304 22.46,1305 0.681,1306 0.604,1307 22.46,1308 19.932,1309 16.242,1310 0.439,1311 0.345,1312 12.651,1313 15.858,1314 12.34,1315 10.189,1316 16.242,1317 12.755,1318 14.277,1319 0.286,1320 0.198,1321 14.277,1322 9.882,1323 12.019,1324 0.185,1325 0.115,1326 12.019,1327 7.489,1328 10.166,1329 0.121,1330 0.066,1331 10.166,1332 5.516,1333 8.526,1334 0.08,1335 0.038,1336 8.526,1337 4.119,1338 0.207,1339 99.883,1340 0.197,1341 31.69,1342 0.317,1343 174,1344 363.359,1345 183.066,1346 358.365,1347 507.5,1348 342,1349 202,1350 380.511,1351 211.538,1352 389.092,1353 568.62,1354 369,1355 8.9} {0 CHEMBL459068,1 1.343,2 16.972,3 5.03,4 25.296,5 145.425,6 6.476,7 0.425,8 4.382,9 4.511,10 3.842,11 3.936,12 5.311,13 3.881,14 4.986,15 5.184,16 4.191,17 4.359,18 5.846,19 4.275,20 5.299,21 5.533,22 4.249,23 4.556,24 6.105,25 4.431,26 5.386,27 5.642,28 4.147,29 4.57,30 6.147,31 4.401,32 5.389,33 5.672,34 4.034,35 4.499,36 6.093,37 4.314,38 5.258,39 5.537,40 3.957,41 4.394,42 5.941,43 4.216,44 5.168,45 5.441,46 3.942,47 4.335,48 5.879,49 4.171,50 5.146,51 5.407,52 3.922,53 4.342,54 5.874,55 4.175,56 0.069,57 1.054,58 17.743,59 7.526,60 9.565,61 10.543,62 0.293,63 1.796,64 33.441,65 12.525,66 26.965,67 18.125,68 0.455,69 2.298,70 46.122,71 17.071,72 41.382,73 24.637,74 0.401,75 2.372,76 49.894,77 19.886,78 45.434,79 28.263,80 0.414,81 2.301,82 50.341,83 19.396,84 49.687,85 27.848,86 0.324,87 2.081,88 43.89,89 16.823,90 37.883,91 24.519,92 0.327,93 1.938,94 40.167,95 15.305,96 35.353,97 22.281,98 0.278,99 1.905,100 39.089,101 15.29,102 33.533,103 22.106,104 11,105 55,106 0.208,107 0.493,108 0.721,109 0.84,110 0.849,111 0.849,112 3.615,113 1.021,114 -5.07,115 -4.96,116 -4.65,119 41.3,120 2,121 5,122 2,125 6,140 9,141 3,142 1,144 2,156 1,169 17,171 1,172 12,178 22,181 1,182 6,189 19,192 1,193 7,199 20,203 8,211 13,215 9,222 8,225 1,226 9,233 10,237 6,244 8,249 11,256 10,259 2578,260 24.601,261 24.601,262 24.601,263 24.601,264 24.601,265 22.408,266 30.101,267 14.577,268 24.993,269 19.77,270 19.77,271 19.77,272 19.77,273 19.77,274 16.476,275 32.369,276 6.938,277 20.385,278 4.886,279 3.038,280 1.563,281 0.793,282 0.74,283 0.74,284 4.325,289 1,290 1344,291 3.464,295 604.594,299 189.076,302 2.755,303 22.064,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 75.5,315 611,316 4.516,317 3.669,318 6.517,319 4.026,320 3.054,321 4.458,322 1.94,323 10.248,324 2.968,325 4.184,326 3.185,327 6.186,328 3.927,329 2.935,330 3.732,331 0.86,332 9.228,333 2.915,334 3.894,335 3.116,336 5.895,337 3.7,338 2.728,339 3.17,340 0.8,341 8.113,342 2.655,343 3.723,344 2.902,345 5.597,346 3.596,347 2.63,348 3.05,349 0.555,350 7.692,351 2.539,352 3.7,353 2.685,354 5.338,355 3.345,356 2.386,357 2.846,359 6.916,360 2.285,361 3.515,362 2.594,363 5.305,364 3.28,365 2.326,366 2.633,368 6.707,369 2.215,370 3.297,371 2.297,372 4.96,373 3.018,374 2.039,375 2.583,377 5.862,378 1.984,379 3.131,380 2.165,381 4.813,382 2.845,383 1.885,384 2.222,386 5.291,387 1.801,388 2.99,389 2.062,390 4.342,391 2.573,392 1.566,393 2.159,395 4.122,396 1.572,397 2.856,398 1.601,399 4.196,400 2.511,401 1.522,402 1.91,404 3.816,405 1.504,406 2.648,407 1.486,408 3.726,409 2.238,410 1.247,411 1.68,413 2.815,414 1.232,415 2.49,416 1.444,417 3.527,418 2.152,419 1.208,420 1.487,422 2.705,423 1.127,424 2.301,425 1.115,426 3.475,427 2,428 1,429 1.216,431 2.448,432 0.995,433 2.136,434 1.077,435 3.414,436 1.984,437 1,438 1.08,440 2.275,441 0.983,442 2,443 1.077,444 3.414,445 1.984,446 1,447 1,449 2.275,450 0.983,451 17.367,452 0.482,453 0.797,454 0.022,455 40.75,456 1.132,457 18,458 0.5,459 22.75,460 0.632,461 38.486,462 1.069,463 39.633,464 0.528,465 28.719,466 0.798,467 7.468,468 0.207,469 10.079,470 0.28,471 0.077,473 0.305,479 0.759,480 1.376,481 0.911,482 1.186,483 0.593,484 1.081,485 1.059,486 1.127,487 1.002,488 1.021,489 0.592,490 1,491 1.234,492 0.978,493 1.116,494 1.003,495 1.025,496 1.034,497 0.908,498 1.077,499 1.062,500 1.137,501 1.002,502 1.124,503 1.021,504 0.948,505 0.971,506 0.969,507 0.98,508 0.974,509 0.828,510 1.027,511 0.966,512 1.012,513 0.617,514 1.005,515 0.841,516 0.987,517 0.971,518 0.99,519 0.566,520 0.992,521 0.846,522 1.072,523 1.04,524 1.083,525 0.851,526 1.08,527 7,528 0.227,529 3.778,530 1.875,531 1.533,532 0.91,533 0.766,534 0.417,535 0.246,536 0.249,537 24772,538 51083,539 2.137,540 52,541 4,542 21,546 6,547 8,550 1.766,551 2.038,552 3.999,553 -0.855,559 100.696,560 1.343,561 3.19,562 4.665,563 5.435,564 5.489,565 5.489,566 3.52,567 4.705,568 5.142,569 4.224,570 2661.43,571 8.988,572 46693.4,577 467.161,578 1.256,579 5.118,580 0.175,581 0.008,582 0.069,583 0.033,584 0.032,585 0.021,586 0.019,587 0.01,588 0.006,589 0.007,590 0.382,591 0.33,592 0.75,593 0.586,594 203.257,595 0.042,596 -0.163,597 0.077,598 -0.05,599 0.022,600 0.004,601 0.003,602 0.011,603 0.009,604 0.011,605 0.09,606 0.012,607 -0.097,608 0.083,609 -0.108,610 -0.004,611 -0.061,612 -0.046,613 0.013,614 -0.107,615 -0.088,616 -0.122,617 -0.033,618 -0.117,619 -0.044,620 -0.021,621 0.006,622 0.015,623 -0.082,624 0.013,625 -0.014,626 -0.067,627 0.002,628 -0.027,629 -0.014,630 -0.014,632 -0.002,633 0.004,634 -0.005,635 0.046,636 -0.002,637 -0.043,638 -0.081,639 -0.071,640 -0.077,641 -0.023,642 -0.077,643 1.457,644 4.635,645 0.778,646 48.367,647 0.985,648 1.125,649 3.835,650 14.709,651 0.648,652 3.714,653 4.025,654 4.277,655 4.511,656 4.754,657 4.787,658 4.89,659 4.956,660 5.05,661 5.112,662 9.814,663 0.6,664 485.73,665 3.714,666 5.252,667 6.094,668 6.957,669 7.811,670 8.677,671 9.534,672 10.401,673 11.26,674 12.127,675 4,678 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 75,716 18,717 2,718 40,720 79,721 31,722 15,723 5,724 7,730 5,731 6,736 2,740 4,741 2,743 5,745 16,746 15,747 2,750 1,755 1,759 1,764 39,765 5,767 5,773 3,777 0.8,778 2,786 1,793 5,797 1,806 1,815 1,819 4,823 2,827 36,833 11,835 1,837 2,838 2,847 2.7,850 1,852 1,854 17.667,855 13.85,856 7.861,857 4.956,858 3.445,859 1.403,860 0.979,861 8.113,862 12.004,863 3.922,864 4.466,865 4.985,866 5.523,867 6.059,868 6.255,869 6.549,870 6.839,871 7.098,872 6.931,873 1,874 56,875 13.401,877 5.648,878 7.454,879 26.818,881 22.822,883 1.954,884 70.333,888 459.073,889 154.523,890 23.034,892 36.145,895 154.523,896 495.218,897 23.034,898 17.65,899 30.918,900 85.286,901 46.635,902 33.213,904 459.073,906 459.073,907 177.557,908 36.145,911 364.904,912 130.314,915 56.593,916 104.178,917 16.786,919 459.073,920 59.179,921 154.523,924 459.073,925 51.587,926 109.185,928 52.93,929 459.073,930 59.179,931 154.523,933 0.58,934 0.333,935 0.176,936 0.098,937 26,938 11,939 0.089,940 7,941 1,942 1.071,943 4.898,944 329.584,945 0.071,946 28,947 173.362,951 25.081,952 11.645,953 6.413,954 2.09,955 59.179,956 19.546,957 4.613,961 4.901,964 672.775,965 49.5,970 11.635,974 0.209,975 73.865,976 84.387,977 0.216,978 0.512,979 0.749,980 0.873,981 0.881,982 0.881,983 5.166,984 1.885,985 6.061,986 5.862,987 4.71,988 5.153,989 2.315,990 6.83,991 4.654,992 6.332,993 1.566,994 7.592,995 5.291,996 4.205,997 4.879,998 1.738,999 7.63,1000 4.124,1001 7.614,1002 1.522,1003 9.219,1004 4.122,1005 6.267,1006 7.269,1007 3.044,1008 10.691,1009 6.158,1010 8.926,1011 1.247,1012 10.902,1013 3.816,1014 6.567,1015 7.845,1016 3.144,1017 12.319,1018 6.435,1019 10.272,1020 1.208,1021 12.622,1022 2.815,1023 8.081,1024 9.731,1025 4.149,1026 14.878,1027 7.925,1028 11.64,1029 1,1030 14.367,1031 2.705,1032 8.766,1033 10.742,1034 4.541,1035 16.867,1036 8.591,1037 13.027,1038 1,1039 16.131,1040 2.448,1041 10.039,1042 12.408,1043 5.385,1044 19.25,1045 9.843,1046 3.054,1047 1,1048 17.909,1049 2.275,1050 10.921,1051 13.653,1052 5.912,1053 21.405,1054 10.706,1055 2.935,1056 10.248,1057 19.699,1058 2.275,1059 12.085,1060 15.218,1061 6.67,1062 23.728,1063 11.85,1064 2.728,1065 9.228,1066 21.498,1067 4.458,1068 13.067,1069 16.584,1070 7.263,1071 25.961,1072 12.813,1073 2.63,1074 8.113,1075 23.305,1076 3.732,1077 14.183,1078 18.104,1079 7.976,1080 28.267,1081 13.911,1082 2.386,1083 7.692,1084 25.119,1085 3.17,1086 15.218,1087 19.531,1088 8.602,1089 30.537,1090 14.925,1091 2.326,1092 6.916,1093 26.938,1094 3.05,1095 16.315,1096 21.032,1097 9.292,1098 32.841,1099 16.003,1100 2.039,1101 6.707,1102 28.763,1103 2.846,1104 17.376,1105 22.491,1106 9.936,1107 35.131,1108 17.045,1109 22921,1110 33047,1111 27.334,1112 48.631,1113 59.455,1114 60.232,1115 60.422,1116 59.296,1117 59.285,1118 73.001,1119 8.312,1120 166.258,1121 57.659,1122 5.516,1123 5.669,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 3.348,1129 17.078,1130 4.968,1131 15.233,1132 1.486,1133 1.506,1134 1.511,1135 1.482,1136 1.482,1137 1.825,1138 0.208,1139 4.156,1140 1.441,1141 4.084,1142 4.112,1143 4.04,1144 4.006,1145 7.428,1146 4.01,1147 4.009,1148 4.045,1149 3.934,1150 3.942,1151 5.016,1152 3.936,1153 3.861,1154 3.923,1155 3.742,1156 3.721,1157 4.732,1158 3.716,1159 3.754,1160 3.806,1161 3.658,1162 3.605,1163 4.58,1164 3.608,1165 3.55,1166 3.596,1167 3.449,1168 3.43,1169 4.328,1170 3.426,1171 3.459,1172 3.516,1173 3.332,1174 3.287,1175 4.246,1176 3.288,1177 3.41,1178 3.467,1179 3.263,1180 3.229,1181 4.209,1182 3.232,1183 3.151,1184 3.217,1185 3.013,1186 2.986,1187 3.888,1188 2.981,1189 0.113,1190 0.092,1191 0.163,1192 0.101,1193 0.076,1194 4.516,1195 0.111,1196 3.669,1197 0.049,1198 6.517,1199 0.256,1200 4.026,1201 0.074,1202 3.054,1203 4.458,1204 1.94,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.138,1210 2.125,1211 1.488,1212 2.122,1213 1.995,1214 1.964,1215 2.107,1216 2.096,1217 1.432,1218 2.11,1219 1.851,1220 1.793,1221 2.054,1222 2.024,1223 1.222,1224 2.037,1225 1.723,1226 1.669,1227 1.909,1228 1.892,1229 1.122,1230 1.9,1231 1.538,1232 1.494,1233 1.751,1234 1.711,1235 0.993,1236 1.725,1237 1.444,1238 1.383,1239 1.702,1240 1.638,1241 0.825,1242 1.661,1243 1.388,1244 1.331,1245 1.672,1246 1.604,1247 0.825,1248 1.629,1249 1.153,1250 1.08,1251 1.513,1252 1.376,1253 0.806,1254 1.429,1255 4.394,1257 5.707,1259 7.215,1261 8.808,1263 10.444,1265 3.705,1271 11.591,1273 6.172,1275 1.341,1276 4.53,1280 44.976,1281 100.696,1282 239.286,1283 349.903,1284 407.652,1285 411.652,1286 411.652,1287 58.751,1288 8.559,1289 45.67,1290 45.67,1291 30,1292 12.674,1293 4.248,1294 3.392,1295 55.036,1296 217,1297 188,1298 0.121,1299 273.195,1300 477.18,1301 658.355,1302 84602,1304 24.907,1305 0.692,1306 0.605,1307 24.907,1308 21.787,1309 17.547,1310 0.439,1311 0.34,1312 13.486,1313 17.06,1314 13.102,1315 10.815,1316 17.547,1317 13.608,1318 15.798,1319 0.287,1320 0.193,1321 15.798,1322 10.638,1323 13.128,1324 0.185,1325 0.114,1326 13.128,1327 8.09,1328 10.843,1329 0.12,1330 0.065,1331 10.843,1332 5.888,1333 8.954,1334 0.078,1335 0.038,1336 8.954,1337 4.382,1338 0.2,1339 108.362,1340 0.191,1341 34.094,1342 0.304,1343 190,1344 438.406,1345 202.307,1346 426.531,1347 592.8,1348 404,1349 221,1350 437.837,1351 233.365,1352 445.084,1353 648.28,1354 421,1355 8.4} {0 CHEMBL459282,1 1.284,2 16.176,3 5.77,4 33.292,5 141.154,6 6.27,7 0.447,8 4.352,9 4.487,10 3.79,11 3.907,12 5.238,13 3.845,14 4.961,15 5.167,16 4.128,17 4.335,18 5.756,19 4.244,20 5.268,21 5.508,22 4.178,23 4.536,24 6.005,25 4.394,26 5.373,27 5.65,28 4.058,29 4.535,30 6.036,31 4.345,32 5.324,33 5.614,34 3.973,35 4.444,36 5.968,37 4.255,38 5.19,39 5.464,40 3.906,41 4.353,42 5.857,43 4.174,44 5.142,45 5.418,46 3.851,47 4.306,48 5.791,49 4.126,50 5.124,51 5.402,52 3.817,53 4.3,54 5.741,55 4.112,56 0.084,57 1.031,58 17.797,59 7.363,60 10.985,61 10.516,62 0.255,63 1.761,64 33.059,65 12.193,66 22.932,67 17.938,68 0.384,69 2.244,70 44.524,71 17.068,72 33.508,73 24.846,74 0.352,75 2.328,76 48.629,77 19.727,78 36.148,79 28.394,80 0.331,81 2.17,82 46.345,83 18.272,84 34.671,85 26.386,86 0.283,87 1.972,88 40.667,89 15.795,90 30.477,91 23.049,92 0.306,93 1.893,94 38.813,95 14.948,96 27.876,97 21.87,98 0.242,99 1.855,100 37.807,101 15.005,102 22.858,103 21.951,104 5,105 52,106 0.2,107 0.478,108 0.718,109 0.82,110 0.846,111 0.846,112 3.56,113 1.036,114 -5.33,115 -5.22,116 -4.88,119 41.1,120 1,121 5,122 2,124 1,125 6,140 9,141 3,142 1,144 2,169 17,172 10,178 22,181 1,182 6,189 19,192 1,193 5,199 18,203 7,211 12,215 8,222 7,225 1,226 7,233 8,237 4,244 6,249 9,256 8,259 2076,260 23.394,261 23.394,262 23.394,263 23.394,264 23.394,265 21.383,266 29.151,267 13.942,268 23.823,269 18.802,270 18.802,271 18.802,272 18.802,273 18.802,274 15.793,275 32.367,276 6.679,277 19.47,278 4.905,279 3.122,280 1.579,281 0.925,282 0.76,283 0.76,284 4.273,289 1,290 1220,291 3,295 559.917,299 174.319,302 2.578,303 14.888,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 70.5,315 550,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.18,326 3.136,327 6.175,328 3.913,329 2.917,330 3.731,331 0.8,332 9.203,333 2.907,334 3.741,335 2.907,336 5.601,337 3.661,338 2.687,339 3.17,340 0.8,341 7.723,342 2.629,343 3.714,344 2.737,345 5.341,346 3.405,347 2.454,348 2.881,350 6.938,351 2.337,352 3.555,353 2.61,354 5.309,355 3.288,356 2.34,357 2.635,359 6.708,360 2.218,361 3.325,362 2.567,363 5.059,364 3.191,365 2.252,366 2.594,368 6.155,369 2.106,370 3.291,371 2.172,372 4.922,373 2.973,374 2.001,375 2.367,377 5.735,378 1.932,379 3.095,380 2.075,381 4.813,382 2.843,383 1.884,384 2.22,386 5.291,387 1.799,388 2.99,389 1.602,390 4.236,391 2.512,392 1.524,393 2.124,395 3.841,396 1.504,397 2.734,398 1.503,399 4.196,400 2.413,401 1.422,402 1.81,404 3.811,405 1.407,406 2.49,407 1.451,408 3.527,409 2.156,410 1.224,411 1.487,413 2.713,414 1.131,415 2.466,416 1.127,417 3.48,418 2.099,419 1.103,420 1.458,422 2.533,423 1.097,424 2.136,425 1.077,426 3.414,427 1.984,428 1,429 1.08,431 2.275,432 0.983,433 2,434 1.077,435 3.414,436 1.984,437 1,438 1,440 2.275,441 0.983,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.533,452 0.486,453 0.708,454 0.021,455 38,456 1.118,457 16.5,458 0.485,459 21.5,460 0.632,461 35.999,462 1.059,463 37.467,464 0.513,465 25.605,466 0.753,467 6.896,468 0.203,469 9.741,470 0.286,471 0.06,473 0.29,479 0.899,480 1.387,481 0.955,482 1.192,483 0.868,484 1.095,485 1.464,486 1.076,487 1.061,488 0.984,489 0.931,490 0.984,491 1.238,492 1.031,493 1.128,494 1.062,495 1.085,496 1.08,497 0.792,498 1.027,499 0.992,500 1.081,501 0.835,502 1.06,503 1.066,504 0.935,505 0.929,506 0.948,507 1.073,508 0.939,509 1.046,510 1.078,511 1.029,512 1.059,513 1.051,514 1.049,515 1.04,516 1.02,517 1.046,518 1.027,519 1.029,520 1.037,521 0.807,522 1.041,523 1.014,524 1.048,525 0.822,526 1.047,527 6.5,528 0.194,529 3.333,530 1.625,531 1.453,532 0.785,533 0.684,534 0.385,535 0.188,536 0.218,537 21310,538 38636,539 2.163,540 53.4,541 4,542 24,546 3,547 8,550 1.751,551 2.082,552 3.932,553 -0.875,559 93.765,560 1.284,561 3.068,562 4.611,563 5.265,564 5.429,565 5.429,566 3.36,567 4.337,568 5.061,569 4.136,570 2320.04,571 8.824,572 38712,577 451.857,578 1.166,579 5.043,580 0.171,581 0.007,582 0.064,583 0.031,584 0.033,585 0.019,586 0.018,587 0.011,588 0.005,589 0.007,590 0.367,591 0.33,592 0.88,593 0.39,594 188.192,595 0.08,596 -0.168,597 0.086,598 -0.052,599 0.094,600 0.006,601 -0.119,602 0.068,603 -0.013,604 0.044,605 0.093,606 0.029,607 -0.057,608 0.026,609 -0.114,610 -0.05,611 -0.012,612 -0.078,613 0.085,614 -0.074,615 -0.022,616 -0.077,617 0.092,618 -0.06,619 -0.01,620 -0.007,621 0.048,622 0.035,623 -0.045,624 0.043,625 -0.036,626 -0.102,627 -0.044,628 -0.068,629 -0.077,630 -0.06,631 -0.031,632 -0.033,633 -0.059,634 -0.043,635 -0.098,636 -0.054,637 -0.029,638 -0.063,639 -0.045,640 -0.052,641 -0.048,642 -0.051,643 0.768,644 2.677,645 0.824,646 42.118,647 0.98,648 1.126,649 4.102,650 16.829,651 0.646,652 3.664,653 3.97,654 4.22,655 4.466,656 4.718,657 4.718,658 4.796,659 4.898,660 4.97,661 5.037,662 9.29,663 0.593,664 457.72,665 3.664,666 5.198,667 6.038,668 6.901,669 7.752,670 8.617,671 9.473,672 10.339,673 11.197,674 12.063,675 4.1,678 2,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 73,716 17,717 2,718 38,720 77,721 30,722 15,723 5,724 7,730 5,731 6,736 1,740 4,741 2,743 5,745 15,746 15,747 2,764 39,765 4,767 4,773 3,777 0.8,778 1,786 1,793 5,797 1,815 2,819 4,823 2,827 34,833 11,835 1,837 2,838 2,847 1.4,852 1,854 16.333,855 13.433,856 7.417,857 4.814,858 3.347,859 1.399,860 0.984,861 7.589,862 11.741,863 3.861,864 4.407,865 4.943,866 5.499,867 6.045,868 6.231,869 6.514,870 6.809,871 7.052,872 6.855,873 0.909,874 52,875 12.655,877 5.306,878 7.314,879 25.665,881 21.933,883 1.814,884 61.667,888 459.073,889 149.39,890 23.034,892 11,895 149.39,896 470.073,897 23.034,898 17.222,899 27.794,900 85.286,901 16.786,902 36.337,904 459.073,906 459.073,907 172.424,908 11,911 364.904,912 105.169,915 47.768,916 107.87,917 16.786,919 459.073,920 34.034,921 149.39,924 459.073,925 46.882,926 108.756,928 27.785,929 459.073,930 34.034,931 149.39,933 0.578,934 0.331,935 0.178,936 0.103,937 25,938 10,939 0.091,940 7,941 1,942 1.071,943 4.757,944 306.165,945 0.071,946 28,947 162.974,951 23.481,952 10.99,953 6.065,954 2.118,955 34.034,956 19.848,957 4.619,961 5.099,964 642.497,965 46.5,975 71.538,976 82.178,977 0.208,978 0.496,979 0.745,980 0.851,981 0.877,982 0.877,983 5.101,984 1.884,985 5.999,986 5.735,987 4.654,988 5.094,989 1.481,990 6.758,991 4.591,992 6.26,993 1.524,994 7.52,995 5.291,996 4.111,997 4.783,998 0.57,999 7.526,1000 4.014,1001 7.537,1002 1.422,1003 9.136,1004 3.841,1005 6.201,1006 7.216,1007 1.104,1008 10.597,1009 6.085,1010 8.844,1011 1.224,1012 10.808,1013 3.811,1014 6.463,1015 7.776,1016 0.479,1017 12.21,1018 6.323,1019 10.186,1020 1.103,1021 12.518,1022 2.713,1023 7.997,1024 9.69,1025 0.854,1026 14.782,1027 7.841,1028 11.553,1029 1,1030 14.255,1031 2.533,1032 8.658,1033 10.701,1034 0.346,1035 16.772,1036 8.484,1037 12.94,1038 1,1039 16.013,1040 2.275,1041 9.944,1042 12.382,1043 0.661,1044 19.167,1045 9.754,1046 3.054,1047 0.865,1048 17.786,1049 2.275,1050 10.812,1051 13.63,1052 0.237,1053 21.33,1054 10.608,1055 2.917,1056 10.248,1057 19.573,1058 1.999,1059 11.984,1060 15.203,1061 0.505,1062 23.663,1063 11.764,1064 2.687,1065 9.203,1066 21.371,1067 4.458,1068 12.961,1069 16.572,1070 0.158,1071 25.904,1072 12.726,1073 2.454,1074 7.723,1075 23.179,1076 3.731,1077 14.083,1078 18.096,1079 0.382,1080 28.218,1081 13.831,1082 2.34,1083 6.938,1084 24.994,1085 3.17,1086 15.117,1087 19.526,1088 0.104,1089 30.496,1090 14.848,1091 2.252,1092 6.708,1093 26.817,1094 2.881,1095 16.218,1096 21.028,1097 0.285,1098 32.806,1099 15.931,1100 2.001,1101 6.155,1102 28.645,1103 2.635,1104 17.281,1105 22.488,1106 0.068,1107 35.101,1108 16.976,1109 19553,1110 26512,1111 26.235,1112 47.177,1113 56.079,1114 56.118,1115 56.946,1116 55.998,1117 55.956,1118 68.576,1119 4.92,1120 156.134,1121 54.152,1122 5.516,1123 5.185,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 11.958,1132 1.476,1133 1.477,1134 1.499,1135 1.474,1136 1.473,1137 1.805,1138 0.129,1139 4.109,1140 1.425,1141 4.083,1142 4.112,1143 4.04,1144 4.006,1145 5.016,1146 4.01,1147 4.007,1148 4.044,1149 3.93,1150 3.941,1151 4.733,1152 3.935,1153 3.857,1154 3.921,1155 3.734,1156 3.72,1157 4.58,1158 3.714,1159 3.735,1160 3.795,1161 3.618,1162 3.593,1163 4.335,1164 3.589,1165 3.549,1166 3.595,1167 3.447,1168 3.43,1169 4.324,1170 3.426,1171 3.441,1172 3.505,1173 3.294,1174 3.277,1175 4.211,1176 3.273,1177 3.249,1178 3.336,1179 3.081,1180 3.058,1181 3.892,1182 3.052,1183 3.132,1184 3.206,1185 2.985,1186 2.968,1187 3.837,1188 2.96,1189 0.119,1190 0.084,1191 0.172,1192 0.106,1193 0.08,1194 4.516,1195 0.117,1196 3.185,1197 0.023,1198 6.517,1199 0.27,1200 4.026,1201 0.078,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.139,1210 2.125,1211 1.488,1212 2.123,1213 1.995,1214 1.963,1215 2.107,1216 2.095,1217 1.434,1218 2.111,1219 1.85,1220 1.792,1221 2.056,1222 2.023,1223 1.222,1224 2.038,1225 1.719,1226 1.659,1227 1.914,1228 1.886,1229 1.124,1230 1.899,1231 1.538,1232 1.493,1233 1.751,1234 1.709,1235 0.995,1236 1.724,1237 1.438,1238 1.373,1239 1.698,1240 1.623,1241 0.825,1242 1.653,1243 1.248,1244 1.162,1245 1.582,1246 1.487,1247 0.825,1248 1.524,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.806,1254 1.429,1255 4.344,1257 5.652,1259 7.157,1261 8.748,1263 10.384,1265 4.274,1271 12.953,1273 6.177,1275 1.553,1276 5.026,1280 43.261,1281 93.765,1282 223.982,1283 336.599,1284 384.347,1285 396.347,1286 396.347,1287 48.046,1288 8.394,1289 28.6,1290 28.6,1291 30,1292 12.611,1293 4.17,1294 3.248,1295 50.528,1296 197,1297 172,1298 0.124,1299 262.534,1300 453.73,1301 632.342,1302 68758,1304 23.33,1305 0.686,1306 0.614,1307 23.33,1308 20.879,1309 16.636,1310 0.438,1311 0.345,1312 13.012,1313 16.216,1314 12.628,1315 10.451,1316 16.636,1317 13.128,1318 14.899,1319 0.287,1320 0.201,1321 14.899,1322 10.436,1323 12.43,1324 0.186,1325 0.117,1326 12.43,1327 7.869,1328 10.317,1329 0.12,1330 0.066,1331 10.317,1332 5.703,1333 8.75,1334 0.079,1335 0.039,1336 8.75,1337 4.356,1338 0.205,1339 102.443,1340 0.195,1341 32.493,1342 0.312,1343 180,1344 374.671,1345 189.427,1346 369.5,1347 521.7,1348 352,1349 209,1350 390.145,1351 219.371,1352 400.891,1353 584.19,1354 378,1355 9.699} {0 CHEMBL45929,1 1.219,2 7.167,3 3.95,4 15.606,5 77.294,6 6.06,7 0.5,8 3.754,9 3.899,10 3.165,11 3.309,12 4.619,13 3.24,14 4.35,15 4.568,16 3.51,17 3.742,18 5.103,19 3.641,20 4.596,21 4.849,22 3.456,23 3.873,24 5.293,25 3.713,26 4.658,27 4.938,28 3.298,29 3.836,30 5.31,31 3.634,32 4.585,33 4.904,34 3.244,35 3.685,36 5.178,37 3.491,38 4.329,39 4.571,40 3.189,41 3.583,42 5.074,43 3.426,44 4.401,45 4.702,46 2.829,47 3.475,48 5.035,49 3.249,50 4.194,51 4.532,52 2.488,53 3.198,54 4.707,55 2.938,56 0.054,57 0.579,58 9.974,59 3.931,60 6.746,61 5.831,62 0.122,63 0.972,64 17.926,65 6.636,66 10.609,67 10.046,68 0.138,69 1.153,70 22.366,71 8.785,72 14.78,73 13.042,74 0.133,75 1.159,76 23.353,77 9.389,78 16.535,79 13.855,80 0.155,81 1.033,82 21.475,83 8.397,84 14.507,85 12.464,86 0.118,87 0.899,88 17.308,89 6.3,90 13.124,91 9.613,92 0.142,93 0.874,94 18.149,95 6.441,96 14.327,97 9.903,98 0.087,99 0.652,100 14.195,101 5.632,102 9.423,103 8.353,104 6,105 28,106 0.22,107 0.561,108 0.813,109 0.87,110 0.87,111 0.87,112 2.961,113 1.06,114 -4.03,115 -3.98,116 -3.77,119 40,120 1,121 4,124 1,125 1,127 1,140 3,141 3,149 1,150 1,169 9,172 3,176 3,178 10,182 1,186 3,189 11,193 1,197 1,199 8,203 1,206 1,208 2,211 5,215 2,220 2,222 4,226 2,233 4,237 1,244 3,256 1,259 350,260 12.386,261 12.386,262 12.386,263 12.386,264 12.386,265 11.257,266 13.542,267 7.208,268 12.55,269 9.803,270 9.803,271 9.803,272 9.803,273 9.803,274 8.025,275 12.824,276 3.337,277 10.064,278 4.103,279 2.206,280 0.807,281 0.488,282 0.488,283 0.488,284 3.638,287 1,288 1,289 1,290 278,291 2.236,294 78.8,295 41.712,298 64.264,302 1.185,303 5.787,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 37,315 129,316 4.555,317 3.231,318 6.561,319 4.099,320 3.113,321 4.505,322 0.8,323 10.42,324 3.07,325 3.843,326 3.005,327 6.038,328 3.744,329 2.794,330 3.133,332 8.628,333 2.656,334 3.668,335 2.576,336 5.283,337 3.331,338 2.337,339 2.85,341 6.7,342 2.321,343 3.301,344 2.089,345 5.08,346 2.895,347 1.918,348 2.586,350 5.848,351 1.872,352 2.731,353 1.456,354 4.221,355 2.319,356 1.346,357 1.83,359 3.694,360 1.308,361 2.359,362 1.266,363 3.974,364 2.15,365 1.19,366 1.342,368 3.137,369 1.14,370 2.153,371 1.161,372 3.417,373 2.081,374 1.102,375 1.128,377 2.387,378 1.077,379 2.077,380 0.866,381 3.269,382 1.744,383 0.768,384 0.993,386 1.736,387 0.748,388 1.588,389 0.493,390 2.822,391 1.389,392 0.404,393 0.467,395 0.65,396 0.398,397 0.991,398 -0.048,399 2.715,400 0.811,401 -0.172,402 -0.192,404 -0.415,405 -0.169,406 0.688,407 -0.426,408 2.2,409 0.343,410 -0.628,411 -0.718,413 -1.353,414 -0.605,415 0.55,416 -0.706,417 2,418 0.165,419 -0.821,420 -1.03,422 -2.287,423 -0.807,424 0.187,425 -0.918,426 1.715,427 -0.032,428 -1,429 -1.325,431 -2.774,432 -0.969,433 -0.127,434 -1.234,435 1.575,436 -0.469,437 -1.43,438 -1.557,440 -3.738,441 -1.371,442 -0.302,443 -1.365,444 1.461,445 -0.607,446 -1.6,447 -1.705,449 -4.069,450 -1.529,451 8.8,452 0.489,453 0.397,454 0.022,455 19.25,456 1.069,457 8,458 0.444,459 11.25,460 0.625,461 15.997,462 0.889,463 20,464 0.5,465 10.477,466 0.582,467 3.395,468 0.189,469 5.38,470 0.299,471 0.114,473 0.33,479 1.116,480 1.363,481 1.011,482 1.152,483 1.08,484 1.088,485 1.45,486 1.064,487 1.013,488 0.952,489 0.878,490 0.954,491 1.127,492 1.069,493 1.105,494 1.085,495 0.904,496 1.092,497 0.839,498 1.101,499 1.073,500 1.131,501 1.159,502 1.119,503 0.596,504 0.811,505 0.729,506 0.792,507 0.742,508 0.774,509 1.443,510 1.338,511 1.26,512 1.261,513 1.361,514 1.251,515 1.606,516 1.006,517 1.242,518 1.064,519 1.571,520 1.118,521 0.714,522 0.804,523 0.866,524 0.867,525 0.751,526 0.875,527 3.5,529 2.222,530 1.174,531 0.723,532 0.479,533 0.29,534 0.141,535 0.086,536 0.025,537 2760,538 4522,539 2.12,540 55,541 5,542 9,543 1,545 1,547 6,550 1.588,551 2,552 2.874,553 -0.389,555 1,559 48.77,560 1.219,561 3.116,562 4.515,563 4.834,564 4.834,565 4.834,566 2.261,567 4.059,568 4.143,569 2.997,570 458.495,571 7.038,572 4272.06,574 1,576 1,577 212.877,578 1.352,579 4.109,580 0.175,582 0.079,583 0.047,584 0.036,585 0.024,586 0.016,587 0.013,588 0.011,589 0.008,590 0.409,591 1,592 1,593 0.816,594 75.471,595 0.067,596 -0.118,597 0.073,598 -0.013,599 0.039,600 0.023,601 -0.091,602 0.082,603 0.041,604 0.085,605 0.08,606 0.074,607 -0.122,608 -0.025,609 -0.107,610 -0.066,611 0.039,612 -0.082,613 -0.04,614 -0.132,615 -0.11,616 -0.134,617 -0.152,618 -0.127,619 0.26,620 0.098,621 0.221,622 0.157,623 0.162,624 0.182,625 -0.141,626 -0.256,627 -0.236,628 -0.263,629 -0.178,630 -0.257,631 -0.289,632 -0.022,633 -0.254,634 -0.141,635 -0.368,636 -0.186,637 0.016,638 0.053,639 0.056,640 0.063,641 0.058,642 0.062,643 0.603,644 0.91,645 0.778,646 10.938,647 0.976,648 1.129,649 2.796,650 7.815,651 0.641,652 3.045,653 3.367,654 3.664,655 3.912,656 4.043,657 4.127,658 4.234,659 4.304,660 4.174,661 4.111,662 4.515,663 0.583,664 242.4,665 3.045,666 4.575,667 5.434,668 6.312,669 7.189,670 8.073,671 8.957,672 9.843,673 10.73,674 11.618,675 5,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 40,716 10,717 1,718 20,720 42,721 16,722 8,723 3,724 3,730 3,731 4,736 1,740 3,743 5,745 8,746 8,761 1,764 22,765 1,766 1,767 2,773 2,777 0.667,788 1,789 1,792 2,793 1,796 1,815 1,819 2,823 2,827 18,833 5,837 1,838 1,854 9,855 7.617,856 4,857 2.749,858 2.076,859 1.318,860 0.994,861 3.23,862 8.599,863 3.258,864 3.855,865 4.473,866 5.076,867 5.557,868 5.89,869 6.253,870 6.568,871 6.369,872 6.418,873 0.8,874 25,875 6.692,877 2.79,878 7.278,879 13.629,881 11.655,883 1.778,884 32,885 0.006,888 247.193,889 78.03,890 19.91,895 78.03,896 247.193,897 19.91,898 17.222,899 12.244,900 37.476,902 28.854,903 13.915,904 235.422,906 247.193,907 97.94,911 176.567,912 70.627,915 40.979,916 56.961,919 247.193,920 19.91,921 78.03,924 247.193,925 23.332,926 57.822,927 16.786,929 247.193,930 19.91,931 78.03,933 0.58,934 0.351,935 0.185,936 0.092,937 15,938 6,939 0.071,940 3,941 1,942 1.143,943 3.083,944 131.469,945 0.143,946 14,947 75.059,951 11.945,952 4.868,953 2.261,954 2.706,955 3.124,956 9.007,958 3.41,961 2.919,963 16.786,964 345.133,965 25,975 39.04,976 45.149,977 0.229,978 0.585,979 0.848,980 0.908,981 0.908,982 0.908,983 4.494,984 0.768,985 5.416,986 2.387,987 4.043,988 4.538,989 0.673,990 6.229,991 3.994,992 5.683,993 0.404,994 6.976,995 1.736,996 3.611,997 4.388,998 0.325,999 7.125,1000 3.531,1001 6.989,1002 -0.172,1003 8.635,1004 0.65,1005 5.638,1006 6.773,1007 0.379,1008 10.213,1009 5.544,1010 8.337,1011 -0.628,1012 10.351,1013 -0.415,1014 6.066,1015 7.531,1016 0.268,1017 11.949,1018 5.94,1019 9.721,1020 -0.821,1021 12.105,1022 -1.353,1023 7.53,1024 9.382,1025 0.239,1026 14.534,1027 7.393,1028 11.13,1029 -1,1030 13.883,1031 -2.287,1032 8.336,1033 10.553,1034 0.188,1035 16.611,1036 8.171,1037 12.558,1038 -1.43,1039 15.68,1040 -2.774,1041 9.583,1042 12.198,1043 0.156,1044 19.029,1045 9.406,1046 3.113,1047 -1.6,1048 17.491,1049 -3.738,1050 10.559,1051 13.558,1052 0.125,1053 21.251,1054 10.36,1055 2.794,1056 10.42,1057 19.312,1058 -4.069,1059 11.721,1060 15.12,1061 0.102,1062 23.611,1063 11.51,1064 2.337,1065 8.628,1066 21.141,1067 4.505,1068 12.774,1069 16.563,1070 0.082,1071 25.896,1072 12.545,1073 1.918,1074 6.7,1075 22.978,1076 3.133,1077 13.906,1078 18.092,1079 0.066,1080 28.237,1081 13.666,1082 1.346,1083 5.848,1084 24.82,1085 2.85,1086 14.994,1087 19.57,1088 0.054,1089 30.55,1090 14.739,1091 1.19,1092 3.694,1093 26.666,1094 2.586,1095 16.116,1096 21.085,1097 0.043,1098 32.887,1099 15.85,1100 1.102,1101 3.137,1102 28.517,1103 1.83,1104 17.221,1105 22.578,1106 0.035,1107 35.213,1108 16.944,1109 2709,1110 3534,1111 13.523,1112 25.625,1113 30.046,1114 29.979,1115 30.931,1116 29.953,1117 29.941,1118 37.666,1119 1.6,1120 86.4,1121 29.177,1122 5.488,1123 5.231,1124 6.11,1125 5.126,1126 5.113,1127 7.505,1128 1.2,1129 17.203,1130 5.07,1131 7.202,1132 1.502,1133 1.499,1134 1.547,1135 1.498,1136 1.497,1137 1.883,1138 0.08,1139 4.32,1140 1.459,1141 4.142,1142 4.177,1143 4.096,1144 4.064,1145 4.96,1146 4.068,1147 3.853,1148 3.919,1149 3.733,1150 3.706,1151 4.384,1152 3.703,1153 3.58,1154 3.645,1155 3.455,1156 3.455,1157 4.309,1158 3.447,1159 3.244,1160 3.319,1161 3.06,1162 3.112,1163 3.904,1164 3.089,1165 3.136,1166 3.248,1167 2.874,1168 2.899,1169 3.756,1170 2.877,1171 3.062,1172 3.158,1173 2.863,1174 2.856,1175 3.692,1176 2.845,1177 2.85,1178 2.923,1179 2.678,1180 2.721,1181 3.43,1182 2.703,1183 2.619,1184 2.744,1185 2.303,1186 2.388,1187 3.076,1188 2.351,1189 0.228,1190 0.162,1191 0.328,1192 0.205,1193 0.156,1194 4.555,1195 0.225,1196 3.231,1197 0.04,1198 6.561,1199 0.521,1200 4.099,1201 0.154,1202 3.113,1203 4.505,1204 0.8,1205 10.42,1206 3.07,1207 1.97,1208 1.947,1209 2.073,1210 2.044,1211 1.33,1212 2.054,1213 1.706,1214 1.653,1215 1.91,1216 1.879,1217 1.22,1218 1.888,1219 1.556,1220 1.48,1221 1.826,1222 1.767,1223 1.111,1224 1.795,1225 1.467,1226 1.391,1227 1.74,1228 1.692,1229 0.893,1230 1.709,1231 1.392,1232 1.322,1233 1.625,1234 1.585,1235 0.744,1236 1.612,1237 1.011,1238 0.912,1239 1.387,1240 1.277,1241 0.503,1242 1.323,1243 0.887,1244 0.803,1245 1.205,1246 1.107,1247 0.353,1248 1.15,1249 0.746,1250 0.665,1251 1.084,1252 0.957,1253 0.212,1254 1.007,1255 3.714,1257 5.03,1258 3.045,1259 6.535,1260 5.352,1261 8.125,1262 7.38,1263 9.762,1265 4.474,1271 6.251,1275 0.731,1276 2.502,1280 23.311,1281 48.77,1282 124.635,1283 180.612,1284 193.367,1285 193.367,1286 193.367,1287 19.389,1288 6.522,1289 19.03,1290 19.03,1291 16,1292 12.148,1293 3.459,1294 2.585,1295 25.687,1296 48,1297 47,1298 0.27,1299 143.947,1300 237.92,1301 342.99,1302 5016,1304 12.535,1305 0.696,1306 0.632,1307 12.535,1308 11.369,1309 8.775,1310 0.439,1311 0.353,1312 7.016,1313 8.6,1314 6.77,1315 5.654,1316 8.775,1317 7.068,1318 7.753,1319 0.277,1320 0.197,1321 7.753,1322 5.528,1323 6.892,1324 0.181,1325 0.115,1326 6.892,1327 4.367,1328 5.562,1329 0.114,1330 0.063,1331 5.562,1332 3.105,1333 4.098,1334 0.073,1335 0.035,1336 4.098,1337 1.951,1338 0.408,1339 53.765,1340 0.272,1341 17.843,1342 0.784,1343 96,1344 177.978,1345 99.802,1346 180.866,1347 260.52,1348 172,1349 114,1350 201.085,1351 118.496,1352 208.902,1353 305.74,1354 197,1355 9.013} {0 CHEMBL461670,1 1.321,2 15.771,3 5.417,4 29.346,5 144.459,6 6.303,7 0.436,8 4.383,9 4.522,10 3.822,11 3.917,12 5.282,13 3.86,14 4.987,15 5.195,16 4.175,17 4.336,18 5.805,19 4.253,20 5.3,21 5.546,22 4.226,23 4.532,24 6.064,25 4.403,26 5.394,27 5.671,28 4.129,29 4.552,30 6.068,31 4.378,32 5.353,33 5.628,34 4.049,35 4.507,36 6.036,37 4.327,38 5.304,39 5.588,40 3.97,41 4.433,42 5.976,43 4.246,44 5.224,45 5.513,46 3.906,47 4.346,48 5.87,49 4.166,50 5.131,51 5.4,52 3.838,53 4.317,54 5.778,55 4.134,56 0.089,57 1.087,58 18.363,59 7.303,60 11.508,61 10.596,62 0.265,63 1.828,64 34.02,65 11.899,66 25.304,67 17.922,68 0.489,69 2.334,70 46.514,71 16.111,72 39.329,73 24.249,74 0.404,75 2.379,76 50.03,77 19.162,78 38.007,79 28.114,80 0.351,81 2.264,82 47.988,83 18.614,84 37.842,85 27.069,86 0.322,87 2.163,88 45.615,89 17.326,90 37.189,91 25.6,92 0.36,93 2.01,94 42.305,95 15.473,96 32.038,97 23.116,98 0.291,99 1.886,100 38.38,101 14.798,102 25.153,103 21.813,104 10,105 54,106 0.205,107 0.507,108 0.742,109 0.833,110 0.837,111 0.837,112 3.588,113 1.027,114 -4.81,115 -4.72,116 -4.44,119 40,120 3,121 3,122 1,125 6,127 2,140 9,141 2,142 2,144 2,169 12,172 10,176 2,178 15,181 1,182 9,184 1,189 11,192 1,193 6,199 12,203 6,208 2,211 9,215 8,220 2,222 7,225 1,226 4,231 2,233 8,236 1,237 2,242 1,244 8,249 5,254 2,256 12,259 2272,260 23.842,261 23.842,262 23.842,263 23.842,264 23.842,265 21.831,266 32.861,267 14.158,268 24.325,269 19.319,270 19.319,271 19.319,272 19.319,273 19.319,274 16.31,275 45.609,276 6.802,277 20.106,278 4.908,279 2.958,280 1.44,281 0.857,282 0.83,283 0.83,284 4.298,289 1,290 1219,291 3.082,295 576.214,299 180.249,302 2.56,303 17.5,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 73,315 552,316 4.516,317 3.203,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.193,326 3.185,327 6.219,328 3.916,329 2.963,330 3.734,331 0.8,332 9.386,333 2.833,334 3.782,335 2.918,336 5.614,337 3.68,338 2.708,339 3.17,340 0.8,341 7.78,342 2.629,343 3.717,344 2.758,345 5.378,346 3.472,347 2.515,348 2.918,349 0.4,350 7.068,351 2.408,352 3.601,353 2.602,354 5.321,355 3.293,356 2.345,357 2.642,359 6.722,360 2.221,361 3.374,362 2.502,363 5.233,364 3.215,365 2.264,366 2.614,368 6.595,369 2.144,370 3.294,371 2.17,372 4.925,373 2.948,374 1.98,375 2.462,377 5.73,378 1.909,379 3.087,380 2.074,381 4.813,382 2.856,383 1.882,384 2.22,386 5.291,387 1.833,388 2.989,389 1.982,390 4.618,391 2.841,392 1.879,393 2.119,395 4.963,396 1.798,397 2.879,398 1.603,399 4.196,400 2.512,401 1.524,402 1.879,404 3.817,405 1.504,406 2.71,407 1.521,408 4.176,409 2.333,410 1.359,411 1.788,413 3.637,414 1.322,415 2.49,416 1.454,417 3.527,418 2.154,419 1.221,420 1.487,422 2.712,423 1.128,424 2.363,425 1.124,426 3.48,427 2.029,428 1.053,429 1.336,431 2.509,432 1.025,433 2.136,434 1.077,435 3.414,436 1.984,437 1,438 1.08,440 2.275,441 0.983,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.933,452 0.484,453 0.814,454 0.023,455 39.5,456 1.129,457 17,458 0.486,459 22.5,460 0.643,461 37.898,462 1.083,463 38.867,464 0.518,465 27.219,466 0.778,467 7.188,468 0.205,469 9.842,470 0.281,471 0.089,473 0.313,479 0.95,480 1.431,481 0.956,482 1.205,483 0.98,484 1.099,485 1.406,486 1.202,487 1.027,488 1.025,489 0.905,490 0.994,491 1.417,492 0.993,493 1.151,494 1.002,495 1.19,496 1.039,497 0.898,498 0.969,499 0.977,500 1.018,501 0.79,502 1.007,503 1.065,504 1.008,505 1.019,506 1.048,507 1.081,508 1.041,509 0.928,510 1.064,511 1,512 1.06,513 1.042,514 1.044,515 1.023,516 0.954,517 0.99,518 0.955,519 0.956,520 0.969,521 0.862,522 1.067,523 1.116,524 1.131,525 0.949,526 1.142,527 7.5,528 0.177,529 3.111,530 2.063,531 1.804,532 0.785,533 0.73,534 0.363,535 0.25,536 0.257,537 22651,538 42205,539 2.141,540 53.3,541 3,542 23,545 1,546 3,547 10,550 1.759,551 2.039,552 3.893,553 -0.458,559 99.078,560 1.321,561 3.27,562 4.789,563 5.372,564 5.399,565 5.399,566 3.373,567 4.844,568 5.104,569 4.137,570 2461.57,571 8.911,572 41933.8,577 467.161,578 1.271,579 5.076,580 0.192,581 0.006,582 0.058,583 0.038,584 0.038,585 0.018,586 0.018,587 0.01,588 0.007,589 0.008,590 0.393,591 0.33,592 0.75,593 0.45,594 195.196,595 0.054,596 -0.18,597 0.082,598 -0.056,599 0.003,600 0.004,601 -0.078,602 -0.046,603 0.021,604 0.006,605 0.136,606 0.02,607 -0.086,608 0.093,609 -0.118,610 -0.017,611 -0.063,612 -0.059,613 0.046,614 -0.001,615 0.002,616 -0.018,617 0.11,618 -0.011,619 -0.05,620 -0.055,621 -0.04,622 -0.04,623 -0.083,624 -0.041,625 -0.017,626 -0.11,627 -0.027,628 -0.066,629 -0.089,630 -0.052,631 -0.03,632 0.015,633 -0.006,634 0.016,635 -0.057,636 0.006,637 -0.047,638 -0.064,639 -0.141,640 -0.121,641 -0.15,642 -0.137,643 0.794,644 2.679,645 0.8,646 43.626,647 0.982,648 1.129,649 3.583,650 12.835,651 0.642,652 3.689,653 4.007,654 4.248,655 4.522,656 4.754,657 4.762,658 4.844,659 4.927,660 5.037,661 5.05,662 9.387,663 0.59,664 472.74,665 3.689,666 5.231,667 6.071,668 6.942,669 7.794,670 8.666,671 9.523,672 10.395,673 11.254,674 12.126,675 5.3,677 1,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 75,716 17,717 2,718 39,720 79,721 30,722 15,723 5,724 7,730 5,731 6,736 3,740 4,741 1,743 5,745 15,746 15,747 1,764 40,765 5,766 1,767 5,773 4,777 0.8,778 1,786 1,793 5,797 1,814 1,815 1,819 4,823 3,827 35,833 9,834 1,835 1,837 3,838 2,847 1.3,852 1,854 17.167,855 14.017,856 7.583,857 4.914,858 3.356,859 1.396,860 0.977,861 7.792,862 11.836,863 3.882,864 4.431,865 4.958,866 5.519,867 6.059,868 6.247,869 6.536,870 6.827,871 7.089,872 6.849,873 1,874 54,875 13.014,877 5.453,878 7.343,879 26.238,881 22.297,883 1.843,884 64.5,888 459.073,889 153.146,890 41.045,892 11,895 153.146,896 470.073,897 41.045,898 26.476,899 22.725,900 103.297,901 16.786,902 35.908,904 459.073,906 459.073,907 194.191,908 11,911 341.362,912 128.711,915 75.236,916 102.169,917 16.786,919 459.073,920 52.045,921 153.146,924 459.073,925 41.384,926 118.01,927 18.011,928 27.785,929 459.073,930 52.045,931 153.146,933 0.58,934 0.329,935 0.184,936 0.103,937 26,938 11,939 0.089,940 7,941 1,942 1.071,943 4.785,944 320.334,945 0.071,946 28,947 167.525,951 24.398,952 11.179,953 6.286,954 2.108,955 52.045,956 19.612,957 4.619,961 4.856,963 18.011,964 664.264,965 47.5,975 73.639,976 84.676,977 0.212,978 0.525,979 0.769,980 0.862,981 0.867,982 0.867,983 5.131,984 1.882,985 6.043,986 5.73,987 4.691,988 5.118,989 1.552,990 6.812,991 4.616,992 6.296,993 1.879,994 7.57,995 5.291,996 4.205,997 4.832,998 0.57,999 7.582,1000 4.087,1001 7.575,1002 1.524,1003 9.19,1004 4.963,1005 6.248,1006 7.233,1007 1.121,1008 10.663,1009 6.097,1010 8.882,1011 1.359,1012 10.864,1013 3.817,1014 6.538,1015 7.797,1016 0.479,1017 12.26,1018 6.344,1019 10.224,1020 1.221,1021 12.575,1022 3.637,1023 8.052,1024 9.7,1025 0.858,1026 14.848,1027 7.83,1028 11.589,1029 1.053,1030 14.311,1031 2.712,1032 8.731,1033 10.71,1034 0.346,1035 16.825,1036 8.467,1037 12.974,1038 1,1039 16.067,1040 2.509,1041 10.007,1042 12.388,1043 0.662,1044 19.231,1045 9.717,1046 3.054,1047 0.865,1048 17.84,1049 2.275,1050 10.889,1051 13.635,1052 0.237,1053 21.387,1054 10.56,1055 2.963,1056 10.248,1057 19.625,1058 1.999,1059 12.057,1060 15.206,1061 0.506,1062 23.725,1063 11.701,1064 2.708,1065 9.386,1066 21.422,1067 4.458,1068 13.044,1069 16.575,1070 0.158,1071 25.963,1072 12.651,1073 2.515,1074 7.78,1075 23.228,1076 3.734,1077 14.166,1078 18.098,1079 0.382,1080 28.279,1081 13.744,1082 2.345,1083 7.068,1084 25.042,1085 3.17,1086 15.206,1087 19.527,1088 0.104,1089 30.555,1090 14.75,1091 2.264,1092 6.722,1093 26.864,1094 2.918,1095 16.309,1096 21.029,1097 0.285,1098 32.864,1099 15.823,1100 1.98,1101 6.595,1102 28.692,1103 2.642,1104 17.376,1105 22.489,1106 0.068,1107 35.159,1108 16.858,1109 20873,1110 28672,1111 26.641,1112 48.182,1113 58.058,1114 58.047,1115 58.767,1116 57.754,1117 57.726,1118 70.354,1119 5.72,1120 162.703,1121 55.558,1122 5.516,1123 5.203,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 14.686,1132 1.489,1133 1.488,1134 1.507,1135 1.481,1136 1.48,1137 1.804,1138 0.147,1139 4.172,1140 1.425,1141 4.082,1142 4.111,1143 4.04,1144 4.003,1145 5.016,1146 4.008,1147 3.999,1148 4.041,1149 3.925,1150 3.913,1151 4.749,1152 3.91,1153 3.855,1154 3.923,1155 3.736,1156 3.701,1157 4.58,1158 3.7,1159 3.752,1160 3.809,1161 3.64,1162 3.611,1163 4.427,1164 3.609,1165 3.549,1166 3.595,1167 3.448,1168 3.43,1169 4.327,1170 3.426,1171 3.44,1172 3.504,1173 3.293,1174 3.277,1175 4.211,1176 3.273,1177 3.367,1178 3.452,1179 3.151,1180 3.217,1181 3.903,1182 3.19,1183 3.181,1184 3.258,1185 3.042,1186 3.002,1187 3.892,1188 2.999,1189 0.116,1190 0.082,1191 0.167,1192 0.103,1193 0.078,1194 4.516,1195 0.114,1196 3.203,1197 0.022,1198 6.517,1199 0.263,1200 4.026,1201 0.076,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.119,1210 2.125,1211 1.479,1212 2.122,1213 1.969,1214 1.934,1215 2.104,1216 2.093,1217 1.326,1218 2.101,1219 1.836,1220 1.774,1221 2.033,1222 2.025,1223 1.222,1224 2.034,1225 1.735,1226 1.675,1227 1.929,1228 1.895,1229 1.128,1230 1.91,1231 1.538,1232 1.494,1233 1.751,1234 1.709,1235 0.994,1236 1.723,1237 1.437,1238 1.373,1239 1.733,1240 1.622,1241 0.97,1242 1.655,1243 1.405,1244 1.325,1245 1.698,1246 1.606,1247 0.825,1248 1.652,1249 1.166,1250 1.097,1251 1.513,1252 1.403,1253 0.805,1254 1.429,1255 4.369,1257 5.687,1259 7.195,1261 8.792,1263 10.434,1265 6.595,1271 9.934,1272 3.639,1273 6.179,1275 1.852,1276 5.106,1280 44.283,1281 99.078,1282 245.286,1283 359.148,1284 402.897,1285 404.897,1286 404.897,1287 50.523,1288 8.48,1289 40.63,1290 40.63,1291 30,1292 12.67,1293 4.17,1294 3.248,1295 52.745,1296 204,1297 172,1298 0.124,1299 269.328,1300 464.73,1301 648.92,1302 76295,1304 24.2,1305 0.691,1306 0.615,1307 24.2,1308 21.542,1309 17.03,1310 0.437,1311 0.342,1312 13.219,1313 16.556,1314 12.793,1315 10.622,1316 17.03,1317 13.348,1318 15.557,1319 0.288,1320 0.197,1321 15.557,1322 10.657,1323 12.584,1324 0.182,1325 0.11,1326 12.584,1327 7.561,1328 10.954,1329 0.12,1330 0.064,1331 10.954,1332 5.804,1333 8.919,1334 0.078,1335 0.036,1336 8.919,1337 4.126,1338 0.205,1339 105.092,1340 0.194,1341 33.191,1342 0.314,1343 186,1344 395.004,1345 198.147,1346 388.561,1347 550.92,1348 370,1349 216,1350 417.891,1351 229.091,1352 426.477,1353 623.06,1354 403,1355 9.1} {0 CHEMBL462915,1 1.474,2 17.108,3 5.345,4 28.566,5 149.795,6 6.866,7 0.415,8 4.403,9 4.521,10 4.026,11 3.976,12 5.302,13 3.908,14 5.02,15 5.205,16 4.311,17 4.396,18 6.037,19 4.306,20 5.333,21 5.558,22 4.343,23 4.594,24 6.184,25 4.461,26 5.422,27 5.669,28 4.228,29 4.603,30 6.239,31 4.432,32 5.419,33 5.696,34 4.096,35 4.521,36 6.17,37 4.337,38 5.272,39 5.547,40 4.044,41 4.418,42 5.982,43 4.235,44 5.185,45 5.449,46 4.057,47 4.37,48 5.944,49 4.2,50 5.177,51 5.429,52 4.04,53 4.377,54 5.971,55 4.208,56 0.112,57 1.102,58 21.057,59 8.012,60 14.06,61 10.625,62 0.461,63 1.867,64 37.504,65 13.584,66 61.534,67 18.432,68 0.527,69 2.386,70 51.998,71 18.56,72 52.637,73 25.174,74 0.484,75 2.457,76 56.114,77 21.284,78 60.446,79 28.853,80 0.505,81 2.355,82 54.623,83 20.277,84 67.94,85 28.264,86 0.353,87 2.118,88 46.618,89 17.551,90 45.079,91 24.808,92 0.347,93 1.992,94 44.211,95 16.361,96 43.132,97 22.677,98 0.323,99 1.966,100 42.845,101 16.252,102 45.1,103 22.495,104 18,105 58,106 0.227,107 0.5,108 0.732,109 0.837,110 0.845,111 0.845,112 3.641,113 1.131,114 -4.44,115 -4.36,116 -4.11,119 39.5,120 1,121 5,122 2,124 1,125 6,140 9,141 3,142 1,144 2,169 17,171 3,172 10,178 22,181 1,182 6,189 19,192 1,193 9,199 18,203 9,211 12,215 10,222 7,225 1,226 11,233 8,237 8,244 6,249 13,256 8,259 2805,260 24.866,261 24.866,262 24.866,263 24.866,264 24.866,265 22.501,266 30.64,267 14.573,268 25.323,269 20.276,270 20.276,271 20.276,272 20.276,273 20.276,274 16.657,275 35.154,276 6.947,277 21.025,278 4.774,279 2.998,280 1.49,281 0.809,282 0.757,283 0.757,284 4.349,289 1,290 1387,291 3.873,295 626.933,299 196.454,302 2.808,303 31.457,306 0.75,307 0.83,308 0.83,309 0.9,310 0.5,311 0.83,312 1,313 0.81,314 78.5,315 633,316 4.744,317 4.375,318 7.111,319 4.252,320 3.315,321 4.51,322 0.86,323 11.659,324 3.089,325 4.516,326 3.185,327 6.517,328 4.026,329 3.054,330 4.458,331 0.8,332 10.248,333 2.968,334 4.176,335 3.124,336 6.17,337 3.891,338 2.894,339 3.731,340 0.4,341 9.187,342 2.882,343 3.732,344 2.903,345 5.6,346 3.651,347 2.677,348 3.17,350 7.718,351 2.619,352 3.712,353 2.691,354 5.339,355 3.365,356 2.407,357 2.872,359 6.928,360 2.304,361 3.533,362 2.595,363 5.307,364 3.283,365 2.331,366 2.634,368 6.707,369 2.216,370 3.298,371 2.361,372 4.97,373 3.04,374 2.069,375 2.588,377 5.903,378 1.998,379 3.159,380 2.168,381 4.813,382 2.846,383 1.888,384 2.225,386 5.291,387 1.802,388 2.996,389 2.066,390 4.684,391 2.724,392 1.768,393 2.189,395 5.028,396 1.685,397 2.976,398 1.601,399 4.218,400 2.512,401 1.524,402 2.026,404 3.817,405 1.504,406 2.694,407 1.487,408 4.196,409 2.315,410 1.338,411 1.758,413 3.665,414 1.303,415 2.49,416 1.445,417 3.527,418 2.154,419 1.221,420 1.487,422 2.713,423 1.128,424 2.378,425 1.117,426 3.482,427 2.051,428 1.063,429 1.341,431 2.521,432 1.048,433 2.136,434 1.077,435 3.414,436 1.984,437 1,438 1.08,440 2.275,441 0.983,442 2,443 1.077,444 3.414,445 1.984,446 1,447 1,449 2.275,450 0.983,451 18.033,452 0.487,453 0.997,454 0.027,455 42.75,456 1.155,457 19.5,458 0.527,459 23.25,460 0.628,461 39.916,462 1.079,463 41.367,464 0.544,465 31.085,466 0.84,467 7.556,468 0.204,469 10.292,470 0.278,471 0.092,472 0.046,473 0.266,479 0.589,480 1.422,481 0.891,482 1.284,483 0.645,484 1.085,485 0.898,486 1.129,487 1.04,488 1.053,489 0.518,490 1.001,491 1.187,492 0.984,493 1.138,494 1.024,495 1.004,496 1.041,497 0.956,498 1.069,499 1.057,500 1.115,501 1.022,502 1.125,503 0.998,504 0.921,505 0.86,506 0.888,507 0.956,508 0.967,509 0.732,510 1.003,511 0.816,512 0.922,513 0.537,514 0.995,515 0.746,516 0.994,517 0.92,518 0.978,519 0.48,520 0.992,521 0.854,522 1.055,523 0.941,524 1.017,525 0.848,526 1.069,527 8.5,528 0.26,529 4.222,530 2.125,531 1.573,532 1.028,533 0.847,534 0.479,535 0.308,536 0.284,537 26509,538 61183,539 2.11,540 51.3,541 4,542 24,546 3,547 8,550 1.772,551 1.991,552 3.998,553 -0.805,559 111.995,560 1.474,561 3.25,562 4.758,563 5.439,564 5.491,565 5.491,566 3.517,567 4.79,568 5.182,569 4.251,570 2830.92,571 9.067,572 50792.8,577 474.842,578 1.444,579 5.144,580 0.207,581 0.009,582 0.073,583 0.037,584 0.031,585 0.023,586 0.021,587 0.011,588 0.008,589 0.008,590 0.428,591 0.17,592 0.75,593 0.629,594 210.687,595 0.136,596 -0.186,597 0.206,598 -0.079,599 -0.095,600 0.01,601 0.145,602 0.016,603 -0.013,604 -0.007,605 0.284,606 0.007,607 -0.121,608 0.077,609 -0.133,610 -0.019,611 -0.071,612 -0.052,613 -0.029,614 -0.105,615 -0.116,616 -0.125,617 -0.056,618 -0.122,619 -0.063,620 -0.013,621 -0.001,622 0.025,623 -0.091,624 0.011,625 -0.007,626 -0.058,627 0.036,629 -0.01,630 -0.007,631 0.009,632 -0.009,633 0.018,634 -0.006,635 0.069,636 0.003,637 -0.047,638 -0.074,639 -0.042,640 -0.055,641 -0.018,642 -0.071,643 3.992,644 4.822,645 0.757,646 51.147,647 0.99,648 1.125,649 3.205,650 10.273,651 0.654,652 3.738,653 4.078,654 4.304,655 4.533,656 4.771,657 4.82,658 4.934,659 4.984,660 5.088,661 5.147,662 10.016,663 0.604,664 521.79,665 3.738,666 5.293,667 6.133,668 7.009,669 7.862,670 8.738,671 9.595,672 10.47,673 11.33,674 12.205,675 3.9,678 2,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 76,716 19,717 2,718 41,720 80,721 30,722 15,723 5,724 7,730 5,731 6,736 1,740 4,741 2,743 5,745 15,746 15,747 2,750 2,753 1,755 2,764 39,765 6,767 7,768 1,773 3,777 0.8,778 3,786 1,793 5,797 1,815 1,819 4,821 1,823 2,827 37,830 1,833 11,835 1,837 2,838 2,847 3.9,850 2,852 1,854 18.583,855 13.933,856 7.917,857 4.869,858 3.515,859 1.407,860 0.984,861 8.261,862 12.147,863 3.961,864 4.554,865 5.012,866 5.539,867 6.069,868 6.27,869 6.572,870 6.858,871 7.127,872 6.978,873 1,874 58,875 13.934,877 6.084,878 7.57,879 27.466,881 23.7,883 2.07,884 76.583,888 459.073,889 153.991,890 21.428,892 55.313,894 5.807,895 148.184,896 514.386,897 21.428,898 16.016,899 27.794,900 91.094,901 61.098,902 34.731,904 459.073,906 459.073,907 169.612,908 55.313,909 5.807,911 364.904,912 149.482,915 46.163,916 106.664,917 22.593,919 459.073,920 76.741,921 153.991,923 5.807,924 459.073,925 46.882,926 105.945,928 72.098,929 459.073,930 76.741,931 153.991,933 0.589,934 0.331,935 0.171,936 0.095,937 28,938 12,939 0.1,940 8,941 1,942 1.071,943 4.931,944 343.435,945 0.071,946 28,947 180.75,950 1,951 26.314,952 11.616,953 6.776,954 2.066,955 76.741,956 19.278,957 4.606,961 4.736,964 689.805,965 51.5,968 -3.075,970 23.644,975 75.269,976 85.517,977 0.236,978 0.52,979 0.761,980 0.87,981 0.879,982 0.879,983 5.222,984 1.888,985 6.138,986 5.903,987 4.762,988 5.242,989 1.324,990 6.948,991 4.693,992 6.427,993 1.768,994 7.701,995 5.291,996 4.443,997 5.255,998 0.325,999 8.003,1000 4.31,1001 7.755,1002 1.524,1003 9.372,1004 5.028,1005 6.399,1006 7.488,1007 0.958,1008 11.002,1009 6.257,1010 9.12,1011 1.338,1012 11.11,1013 3.817,1014 6.878,1015 8.332,1016 0.268,1017 12.887,1018 6.666,1019 10.524,1020 1.221,1021 12.892,1022 3.665,1023 8.336,1024 10.109,1025 0.736,1026 15.465,1027 8.109,1028 11.953,1029 1.063,1030 14.707,1031 2.713,1032 9.18,1033 11.313,1034 0.188,1035 17.676,1036 8.881,1037 13.404,1038 1,1039 16.547,1040 2.521,1041 10.446,1042 12.922,1043 0.57,1044 20.134,1045 10.119,1046 3.315,1047 1,1048 18.405,1049 2.275,1050 11.46,1051 14.286,1052 0.125,1053 22.475,1054 11.063,1055 3.054,1056 11.659,1057 20.279,1058 2.275,1059 12.653,1060 15.828,1061 0.439,1062 24.904,1063 12.215,1064 2.894,1065 10.248,1066 22.166,1067 4.51,1068 13.747,1069 17.264,1070 0.082,1071 27.297,1072 13.241,1073 2.677,1074 9.187,1075 24.062,1076 4.458,1077 14.916,1078 18.779,1079 0.334,1080 29.724,1081 14.358,1082 2.407,1083 7.718,1084 25.968,1085 3.731,1086 16.049,1087 20.248,1088 0.054,1089 32.141,1090 15.422,1091 2.331,1092 6.928,1093 27.88,1094 3.17,1095 17.214,1096 21.752,1097 0.252,1098 34.572,1099 16.527,1100 2.069,1101 6.707,1102 29.799,1103 2.872,1104 18.366,1105 23.237,1106 0.035,1107 37.001,1108 17.611,1109 24617,1110 37582,1111 27.622,1112 49.733,1113 61.137,1114 62.772,1115 61.853,1116 61.407,1117 61.328,1118 76.684,1119 4.12,1120 177.103,1121 59.168,1122 5.744,1123 6.375,1124 6.691,1125 5.322,1126 5.315,1127 7.51,1128 1.72,1129 18.56,1130 5.089,1131 17.741,1132 1.491,1133 1.531,1134 1.509,1135 1.498,1136 1.496,1137 1.87,1138 0.1,1139 4.32,1140 1.443,1141 4.095,1142 4.119,1143 4.722,1144 4.022,1145 7.716,1146 4.013,1147 4.042,1148 4.06,1149 4.039,1150 3.978,1151 6.999,1152 3.947,1153 3.945,1154 3.961,1155 3.919,1156 3.895,1157 5.016,1158 3.806,1159 3.829,1160 3.866,1161 3.724,1162 3.705,1163 4.731,1164 3.692,1165 3.608,1166 3.639,1167 3.527,1168 3.5,1169 4.58,1170 3.463,1171 3.544,1172 3.588,1173 3.445,1174 3.429,1175 4.328,1176 3.424,1177 3.433,1178 3.496,1179 3.286,1180 3.271,1181 4.226,1182 3.266,1183 3.153,1184 3.219,1185 3.018,1186 2.989,1187 4.204,1188 2.984,1189 0.116,1190 0.107,1191 0.173,1192 0.104,1193 0.081,1194 4.744,1195 0.11,1196 4.375,1197 0.021,1198 7.111,1199 0.284,1200 4.252,1201 0.075,1202 3.315,1203 4.51,1204 0.86,1205 11.659,1206 3.089,1207 2.032,1208 2.011,1209 2.136,1210 2.125,1211 1.49,1212 2.126,1213 2,1214 1.971,1215 2.106,1216 2.1,1217 1.443,1218 2.118,1219 1.867,1220 1.838,1221 2.049,1222 2.031,1223 1.222,1224 2.055,1225 1.774,1226 1.749,1227 1.897,1228 1.912,1229 1.135,1230 1.943,1231 1.557,1232 1.537,1233 1.751,1234 1.721,1235 1.014,1236 1.763,1237 1.533,1238 1.491,1239 1.697,1240 1.682,1241 0.928,1242 1.715,1243 1.43,1244 1.368,1245 1.594,1246 1.615,1247 0.825,1248 1.647,1249 1.153,1250 1.081,1251 1.513,1252 1.376,1253 0.825,1254 1.429,1255 4.419,1257 5.753,1259 7.276,1261 8.881,1263 10.527,1265 3.329,1271 10.521,1273 6.162,1275 1.174,1276 4.141,1280 45.878,1281 111.995,1282 246.967,1283 361.584,1284 413.333,1285 417.333,1286 417.333,1287 72.221,1288 8.632,1289 62.74,1290 71.12,1291 30,1292 12.747,1293 4.322,1294 3.524,1295 57.36,1296 227,1297 196,1298 0.12,1299 281.657,1300 489.82,1301 679.003,1302 92527,1304 25.83,1305 0.698,1306 0.619,1307 26.08,1308 22.92,1309 17.847,1310 0.435,1311 0.377,1312 13.632,1313 16.572,1314 13.083,1315 10.788,1316 18.742,1317 15.453,1318 16.857,1319 0.291,1320 0.22,1321 18.244,1322 12.777,1323 13.366,1324 0.183,1325 0.128,1326 14.122,1327 9.376,1328 11.017,1329 0.12,1330 0.073,1331 11.533,1332 6.756,1333 9.036,1334 0.077,1335 0.043,1336 9.393,1337 5.001,1338 0.199,1339 119.51,1340 0.19,1341 34.847,1342 0.302,1343 198,1344 489.002,1345 245.607,1346 493.347,1347 675.72,1348 460,1349 230,1350 472.389,1351 284.371,1352 512.77,1353 740.88,1354 481,1355 8.5} {0 CHEMBL462916,1 1.325,2 15.515,3 5.446,4 29.663,5 133.418,6 6.838,7 0.622,8 4.234,9 4.355,10 3.748,11 3.831,12 5.224,13 3.782,14 4.793,15 4.974,16 4.074,17 4.23,18 5.702,19 4.156,20 5.077,21 5.301,22 4.113,23 4.395,24 5.906,25 4.278,26 5.145,27 5.395,28 4.003,29 4.383,30 5.904,31 4.226,32 5.139,33 5.406,34 3.928,35 4.323,36 5.872,37 4.162,38 5.047,39 5.308,40 3.842,41 4.24,42 5.784,43 4.077,44 4.984,45 5.252,46 3.776,47 4.17,48 5.696,49 4.009,50 4.912,51 5.168,52 3.74,53 4.149,54 5.631,55 3.987,56 0.057,57 0.879,58 14.128,59 6.196,60 10.273,61 8.497,62 0.19,63 1.492,64 26.209,65 10.282,66 22.331,67 14.361,68 0.334,69 1.898,70 35.932,71 13.982,72 32.599,73 19.7,74 0.285,75 1.938,76 38.757,77 16.087,78 32.712,79 22.63,80 0.292,81 1.9,82 39.232,83 15.697,84 34.881,85 22.095,86 0.256,87 1.776,88 35.531,89 13.984,90 32.199,91 19.904,92 0.284,93 1.68,94 33.535,95 12.956,96 28.345,97 18.53,98 0.204,99 1.574,100 30.682,101 12.314,102 23.192,103 17.613,104 2,105 50,106 0.21,107 0.52,108 0.742,109 0.85,110 0.855,111 0.855,112 3.531,113 0.969,114 -4.92,115 -4.82,116 -4.52,119 45.3,120 1,121 3,122 1,125 4,140 11,141 4,142 1,143 2,144 2,169 17,172 10,178 22,181 1,182 6,189 19,192 1,193 5,199 18,203 7,211 12,215 8,222 7,225 1,226 7,233 8,237 4,244 6,249 9,256 8,259 1931,260 22.947,261 22.947,262 22.947,263 22.947,264 22.947,265 20.223,266 17.784,267 13.856,268 23.333,269 18.335,270 18.335,271 18.335,272 18.335,273 18.335,274 14.357,275 16.835,276 6.642,277 18.934,278 4.675,279 2.718,280 1.317,281 0.637,282 0.606,283 0.606,284 4.247,289 1,290 1141,291 2.915,295 538.248,299 167.044,302 2.498,303 14.759,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68.5,315 512,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.268,326 2.98,327 6.17,328 3.904,329 2.905,330 3.915,331 0.8,332 9.188,333 2.901,334 3.824,335 2.865,336 5.599,337 3.654,338 2.68,339 3.282,341 7.717,342 2.624,343 3.718,344 2.636,345 5.338,346 3.37,347 2.411,348 3.17,350 6.925,351 2.31,352 3.593,353 2.584,354 5.306,355 3.283,356 2.332,357 2.67,359 6.707,360 2.216,361 3.304,362 2.178,363 4.964,364 3.043,365 2.071,366 2.625,368 5.881,369 2.002,370 3.258,371 2.097,372 4.813,373 2.846,374 1.888,375 2.479,377 5.291,378 1.802,379 3.058,380 1.77,381 4.369,382 2.692,383 1.723,384 2.22,386 4.296,387 1.668,388 2.989,389 1.597,390 4.196,391 2.512,392 1.524,393 2.124,395 3.817,396 1.504,397 2.728,398 1.462,399 3.549,400 2.261,401 1.284,402 1.824,404 2.819,405 1.253,406 2.5,407 1.304,408 3.52,409 2.152,410 1.216,411 1.5,413 2.702,414 1.127,415 2.5,416 1.077,417 3.429,418 1.984,419 1,420 1.5,422 2.387,423 0.983,424 2.49,425 1,426 3.414,427 1.984,428 1,429 1.487,431 2.275,432 0.983,433 2.136,434 1,435 3.312,436 1.976,437 1,438 1.08,440 2.136,441 0.974,442 2,443 0.963,444 3.247,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.033,452 0.486,453 0.602,454 0.018,455 43.25,456 1.311,457 22.5,458 0.682,459 20.75,460 0.629,461 28.962,462 0.878,463 34.367,464 0.537,465 29.628,466 0.898,467 8.272,468 0.251,469 7.971,470 0.242,471 0.031,473 0.274,479 0.845,480 1.244,481 0.854,482 1.075,483 0.795,484 0.983,485 1.343,486 1.085,487 1.008,488 0.987,489 0.927,490 0.97,491 1.268,492 0.961,493 1.085,494 0.993,495 1.038,496 1.017,497 0.844,498 1.028,499 1.006,500 1.095,501 0.777,502 1.074,503 1.159,504 0.949,505 0.974,506 0.971,507 1.022,508 0.968,509 1.087,510 1.069,511 1.048,512 1.058,513 1.063,514 1.055,515 1.085,516 0.964,517 1.027,518 0.973,519 1.01,520 0.994,521 0.884,522 1.056,523 1.059,524 1.07,525 0.983,526 1.077,527 5.5,528 0.161,529 2.889,530 1.563,531 1.262,532 0.674,533 0.604,534 0.307,535 0.151,536 0.178,537 19733,538 42082,539 2.187,540 48.4,541 3,542 19,544 2,546 3,547 4,550 1.744,551 2.129,552 3.879,553 -0.871,559 84.784,560 1.325,561 3.282,562 4.683,563 5.363,564 5.394,565 5.394,566 3.363,567 4.537,568 5.019,569 4.086,570 2157.45,571 8.739,572 35112.6,577 384,578 1.027,579 5.01,580 0.149,581 0.007,582 0.058,583 0.031,584 0.029,585 0.017,586 0.017,587 0.009,588 0.005,589 0.006,590 0.327,591 0.33,592 0.88,593 0.306,594 180.759,595 0.055,596 -0.133,597 0.077,598 -0.039,599 0.087,600 0.01,601 -0.106,602 0.001,603 -0.03,605 0.063,606 -0.006,607 -0.062,608 0.067,609 -0.096,610 -0.013,611 -0.017,612 -0.048,613 0.086,614 -0.084,615 -0.031,616 -0.09,617 0.106,618 -0.073,619 -0.041,620 -0.019,621 0.022,622 0.022,623 -0.044,624 0.024,625 -0.054,626 -0.108,627 -0.058,628 -0.075,629 -0.111,630 -0.07,631 -0.039,632 0.009,633 -0.032,635 -0.105,636 -0.015,637 -0.058,638 -0.08,639 -0.086,640 -0.081,641 -0.15,642 -0.085,643 0.786,644 2.653,645 0.848,646 39.409,647 0.984,648 1.117,649 3.687,650 13.597,651 0.674,652 3.638,653 3.932,654 4.19,655 4.443,656 4.682,657 4.663,658 4.762,659 4.852,660 4.927,661 4.97,662 9.032,663 0.627,664 437.63,665 3.638,666 5.165,667 6.004,668 6.864,669 7.715,670 8.578,671 9.433,672 10.297,673 11.154,674 12.019,675 4.7,678 1,685 2,687 2,688 13,689 2,693 5,695 23,712 1,714 64,716 23,717 2,718 37,720 68,721 29,722 20,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 3,745 20,746 9,747 1,764 31,765 4,767 4,773 3,777 0.8,778 1,786 2,793 5,797 1,815 1,819 4,823 1,827 33,833 7,835 1,837 1,838 1,847 1.6,852 1,854 15.5,855 11.683,856 7.25,857 4.082,858 4.308,859 1.519,860 1.005,861 6.76,862 12.609,863 3.902,864 4.483,865 5.063,866 5.647,867 6.215,868 6.387,869 6.734,870 7.048,871 7.317,872 7.219,873 1,874 50,875 12.21,877 5.114,878 7.409,879 24.3,881 20.372,883 1.909,884 63,888 364.904,889 171.946,890 36.695,892 11,895 171.946,896 375.904,897 36.695,898 8.825,899 18.513,900 104.239,901 57.113,902 54.493,904 341.362,906 364.904,907 208.641,908 11,911 317.82,912 58.084,915 53.458,916 121.612,917 33.571,919 364.904,920 47.695,921 171.946,924 364.904,925 40.787,926 134.283,928 44.571,929 364.904,930 47.695,931 171.946,933 0.572,934 0.33,935 0.183,936 0.103,937 24,938 9,939 0.103,940 7,941 1,942 1.071,943 4.699,944 294.095,945 0.071,946 28,947 156.465,951 21.764,952 10.25,953 5.473,954 2.095,955 47.695,956 27.147,957 8.739,961 5.92,964 584.545,965 48.5,975 63.003,976 71.517,977 0.221,978 0.547,979 0.78,980 0.894,981 0.899,982 0.899,983 5.116,984 1.723,985 5.953,986 5.291,987 4.615,988 5.17,989 1.235,990 6.708,991 4.558,992 6.291,993 1.524,994 7.468,995 4.296,996 4.007,997 4.796,998 0.325,999 7.466,1000 3.931,1001 7.57,1002 1.284,1003 9.08,1004 3.817,1005 6.151,1006 7.341,1007 0.938,1008 10.556,1009 6.047,1010 8.884,1011 1.216,1012 10.753,1013 2.819,1014 6.382,1015 7.849,1016 0.268,1017 12.18,1018 6.266,1019 10.232,1020 1,1021 12.466,1022 2.702,1023 7.946,1024 9.831,1025 0.732,1026 14.757,1027 7.807,1028 11.606,1029 1,1030 14.207,1031 2.387,1032 8.595,1033 10.799,1034 0.188,1035 16.756,1036 8.445,1037 13,1038 1,1039 15.97,1040 2.275,1041 9.897,1042 12.516,1043 0.57,1044 19.153,1045 9.725,1046 3.054,1047 0.865,1048 17.749,1049 2.136,1050 10.762,1051 13.731,1052 0.125,1053 21.321,1054 10.579,1055 2.905,1056 10.248,1057 19.541,1058 1.999,1059 11.942,1060 15.32,1061 0.438,1062 23.655,1063 11.739,1064 2.68,1065 9.188,1066 21.343,1067 4.458,1068 12.92,1069 16.667,1070 0.082,1071 25.898,1072 12.702,1073 2.411,1074 7.717,1075 23.155,1076 3.915,1077 14.046,1078 18.195,1079 0.334,1080 28.212,1081 13.81,1082 2.332,1083 6.925,1084 24.974,1085 3.282,1086 15.081,1087 19.609,1088 0.054,1089 30.491,1090 14.827,1091 2.071,1092 6.707,1093 26.799,1094 3.17,1095 16.185,1096 21.111,1097 0.252,1098 32.801,1099 15.912,1100 1.888,1101 5.881,1102 28.63,1103 2.67,1104 17.249,1105 22.56,1106 0.035,1107 35.097,1108 16.957,1109 18015,1110 26441,1111 25.83,1112 43.131,1113 54.587,1114 54.68,1115 54.886,1116 54.414,1117 54.402,1118 71.21,1119 3.32,1120 150.011,1121 52.775,1122 5.516,1123 5.185,1124 6.319,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 8.232,1132 1.475,1133 1.478,1134 1.483,1135 1.471,1136 1.47,1137 1.925,1138 0.09,1139 4.054,1140 1.426,1141 4.082,1142 4.109,1143 4.04,1144 4.006,1145 5.018,1146 4.011,1147 4.01,1148 4.04,1149 3.951,1150 3.952,1151 4.927,1152 3.948,1153 3.86,1154 3.917,1155 3.753,1156 3.734,1157 4.675,1158 3.731,1159 3.713,1160 3.76,1161 3.63,1162 3.6,1163 4.58,1164 3.6,1165 3.547,1166 3.593,1167 3.447,1168 3.43,1169 4.327,1170 3.426,1171 3.436,1172 3.5,1173 3.289,1174 3.274,1175 4.211,1176 3.27,1177 3.152,1178 3.217,1179 3.02,1180 2.989,1181 3.894,1182 2.985,1183 3.111,1184 3.206,1185 2.898,1186 2.941,1187 3.84,1188 2.914,1189 0.122,1190 0.086,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.185,1197 0.023,1198 6.517,1199 0.277,1200 4.026,1201 0.08,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.124,1210 2.125,1211 1.479,1212 2.122,1213 1.997,1214 1.97,1215 2.105,1216 2.083,1217 1.223,1218 2.098,1219 1.848,1220 1.796,1221 2.02,1222 2.001,1223 1.189,1224 2.011,1225 1.695,1226 1.651,1227 1.843,1228 1.835,1229 1.03,1230 1.841,1231 1.538,1232 1.493,1233 1.749,1234 1.705,1235 0.885,1236 1.72,1237 1.434,1238 1.37,1239 1.694,1240 1.618,1241 0.825,1242 1.648,1243 1.153,1244 1.08,1245 1.513,1246 1.376,1247 0.804,1248 1.429,1249 1.145,1250 1.064,1251 1.437,1252 1.358,1253 0.666,1254 1.386,1255 4.317,1257 5.617,1259 7.117,1261 8.707,1263 10.341,1265 2.022,1271 7.633,1273 6.153,1275 0.752,1276 2.539,1280 40.154,1281 84.784,1282 210.027,1283 299.682,1284 343.245,1285 345.245,1286 345.245,1287 42.798,1288 8.301,1289 38.25,1290 38.25,1291 30,1292 12.567,1293 4.585,1294 3.644,1295 48.336,1296 185,1297 151,1298 0.125,1299 244.159,1300 417.61,1301 587.508,1302 61231,1304 22.46,1305 0.681,1306 0.584,1307 22.46,1308 19.283,1309 16.242,1310 0.439,1311 0.323,1312 11.856,1313 15.858,1314 11.543,1315 9.56,1316 16.242,1317 11.953,1318 14.277,1319 0.286,1320 0.181,1321 14.277,1322 9.049,1323 12.019,1324 0.185,1325 0.103,1326 12.019,1327 6.668,1328 10.166,1329 0.121,1330 0.057,1331 10.166,1332 4.809,1333 8.526,1334 0.08,1335 0.033,1336 8.526,1337 3.54,1338 0.207,1339 99.883,1340 0.197,1341 31.69,1342 0.317,1343 174,1344 400.671,1345 183.066,1346 397.39,1347 561.29,1348 378,1349 202,1350 421.497,1351 211.538,1352 432.398,1353 628.55,1354 409,1355 9} {0 CHEMBL467094,1 1.465,2 7.2,3 3.335,4 11.125,5 94.719,6 7.379,7 0.414,8 3.968,9 4.059,10 3.553,11 3.481,12 4.989,13 3.482,14 4.568,15 4.724,16 3.956,17 3.924,18 5.528,19 3.917,20 4.718,21 4.861,22 4.093,23 4.159,24 5.659,25 4.113,26 4.919,27 5.097,28 4.115,29 4.254,30 5.795,31 4.176,32 5.033,33 5.246,34 4.079,35 4.215,36 5.884,37 4.136,38 4.917,39 5.093,40 3.958,41 4.108,42 5.845,43 4.022,44 4.938,45 5.185,46 3.704,47 3.931,48 5.772,49 3.798,50 4.728,51 5.004,52 3.212,53 3.56,54 5.513,55 3.405,56 0.024,57 0.625,58 9.824,59 4.654,60 6.946,61 5.639,62 0.443,63 1.072,64 21.026,65 7.685,66 25.777,67 9.476,68 0.263,69 1.309,70 22.554,71 10.008,72 19.629,73 12.713,74 0.172,75 1.545,76 28.678,77 12.542,78 21.993,79 16.369,80 0.49,81 1.626,82 35.162,83 13.13,84 35.074,85 17.267,86 0.545,87 1.448,88 30.241,89 11.62,90 36.373,91 14.805,92 0.657,93 1.412,94 33.715,95 11.579,96 43.643,97 15.911,98 0.655,99 1.075,100 29.223,101 8.851,102 42.344,103 12.092,104 14,105 44,106 0.252,107 0.534,108 0.765,109 0.823,110 0.845,111 0.868,112 3.27,113 0.892,114 -3.84,115 -3.8,116 -3.61,119 43.5,121 2,124 3,125 1,126 1,127 1,140 3,141 5,142 4,169 9,171 1,172 7,178 12,181 1,182 12,189 10,193 13,199 7,202 1,203 9,211 5,214 3,215 4,222 2,225 3,226 3,236 1,237 2,259 771,260 17.411,261 17.411,262 17.411,263 17.411,264 17.411,265 16.022,266 25.897,267 9.8,268 17.998,269 14.207,270 14.207,271 14.207,272 14.207,273 14.207,274 11.737,275 33.802,276 4.467,277 14.947,278 4.058,279 2.42,280 1.082,281 0.745,282 0.614,283 0.484,284 3.984,287 1,288 1,289 1,290 405,291 2.739,294 34.796,295 127.069,298 54.44,299 213.432,301 67.486,302 0.944,303 19.349,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 54.5,315 180,316 4.744,317 3.651,318 7.199,319 4.416,320 3.432,321 4.471,322 1.392,323 12.738,324 3.378,325 4.313,326 3.316,327 6.409,328 3.924,329 2.963,330 3.965,331 0.916,332 9.85,333 2.849,334 3.956,335 3.141,336 6.28,337 3.713,338 2.773,339 3.256,340 0.86,341 9.426,342 2.601,343 3.798,344 2.797,345 5.943,346 3.471,347 2.504,348 3.168,349 0.86,350 8.302,351 2.407,352 3.356,353 2.49,354 5.608,355 3.107,356 2.162,357 2.568,358 0.532,359 7.069,360 2.033,361 3.295,362 2.324,363 5.288,364 2.949,365 1.975,366 2.443,367 0.172,368 6.307,369 1.921,370 2.952,371 2.045,372 4.708,373 2.638,374 1.675,375 2.087,377 4.901,378 1.609,379 2.55,380 1.946,381 4.415,382 2.389,383 1.459,384 1.552,386 4.058,387 1.348,388 2.206,389 1.73,390 4.005,391 2.105,392 1.107,393 1.187,395 2.726,396 1.104,397 2.167,398 1.666,399 3.466,400 1.968,401 1.089,402 1.146,404 2.456,405 0.946,406 1.695,407 1.022,408 3.43,409 1.438,410 0.514,411 0.587,413 1.195,414 0.47,415 1.543,416 0.825,417 3.214,418 1.311,419 0.413,420 0.454,422 0.813,423 0.363,424 1.363,425 0.516,426 2.98,427 1.172,428 0.253,429 0.274,431 0.454,432 0.233,433 0.975,434 0.161,435 2.632,436 0.707,437 -0.251,438 -0.283,440 -0.539,441 -0.237,442 0.862,443 -0.039,444 2.604,445 0.568,446 -0.38,447 -0.453,449 -0.986,450 -0.357,451 11.733,452 0.469,453 0.637,454 0.025,455 31.25,456 1.25,457 14,458 0.56,459 17.25,460 0.69,461 22.646,462 0.906,463 27.267,464 0.593,465 22.474,466 0.899,467 6.188,468 0.248,469 6.019,470 0.241,471 0.128,473 0.46,479 0.863,480 1.331,481 0.744,482 1.186,483 0.809,484 0.981,485 1.306,486 0.689,487 0.85,488 0.607,489 1.086,490 0.622,491 0.722,492 1.075,493 0.9,494 1.052,495 0.67,496 1.011,497 0.687,498 1.259,499 0.943,500 1.241,501 0.728,502 1.161,503 1.017,504 0.989,505 0.955,506 0.981,507 1.013,508 0.962,509 1.092,510 1.247,511 1.224,512 1.281,513 1.208,514 1.284,515 0.885,516 1.07,517 1.038,518 1.095,519 0.928,520 1.096,521 1.352,522 0.786,523 1.143,524 0.838,525 1.316,526 0.928,527 4.5,529 3.111,530 2.069,531 2.675,532 1.181,533 0.919,534 0.441,535 0.133,536 0.025,537 6150,538 14788,539 2.2,540 45.7,542 15,543 2,547 4,550 1.692,551 2.055,552 2.861,553 -0.79,554 1,555 1,559 67.407,560 1.465,561 3.103,562 4.442,563 4.779,564 4.909,565 5.04,566 2.163,567 4.374,568 4.619,569 2.959,570 887.745,571 8.051,572 10047.4,574 1,576 1,577 254.084,578 1.409,579 4.577,580 0.155,582 0.071,583 0.041,584 0.055,585 0.026,586 0.024,587 0.016,588 0.009,589 0.012,590 0.409,591 0.67,592 0.88,593 0.844,594 114.652,595 -0.015,596 -0.203,597 0.101,598 -0.119,599 0.012,600 -0.01,601 -0.113,602 0.395,603 0.114,604 0.376,605 -0.016,606 0.31,607 0.021,608 0.019,609 -0.033,610 -0.008,611 0.061,612 -0.024,613 -0.001,614 -0.233,615 -0.055,616 -0.205,617 0.002,618 -0.153,619 -0.052,620 -0.011,621 0.02,622 0.001,623 -0.052,624 0.019,625 -0.005,626 -0.25,627 -0.264,628 -0.294,629 -0.136,630 -0.328,631 0.122,632 -0.138,633 -0.02,634 -0.15,635 0.101,636 -0.119,637 -0.097,638 0.1,639 -0.053,640 0.065,641 -0.079,642 0.027,643 1.213,644 2.302,645 0.8,646 15.594,647 1.005,648 1.119,649 2.614,650 6.835,651 0.662,652 3.401,653 3.807,654 4.22,655 4.615,656 4.984,657 5.226,658 5.485,659 5.724,660 5.894,661 5.943,662 4.62,663 0.634,664 339.42,665 3.401,666 4.99,667 5.911,668 6.851,669 7.793,670 8.741,671 9.689,672 10.64,673 11.592,674 12.544,675 2.2,678 1,688 3,693 9,695 12,712 4,714 46,716 12,717 2,718 29,720 50,721 20,722 12,723 9,724 3,730 5,731 18,740 3,743 3,745 12,746 8,760 1,761 1,764 21,765 5,767 5,773 1,777 0.2,778 4,792 1,793 4,796 1,797 4,799 1,815 1,819 1,823 3,827 25,833 4,835 4,837 1,838 1,847 8.7,852 4,854 12.167,855 9.45,856 5.417,857 2.721,858 2.567,859 1.305,860 1.012,861 3.488,862 10.981,863 3.584,864 4.234,865 4.905,866 5.561,867 6.204,868 6.633,869 7.094,870 7.539,871 7.92,872 8.189,873 0.8,874 50,875 9.263,877 4.05,878 7.513,879 18.191,881 15.771,883 2.013,884 50.333,887 1,888 247.193,889 109.318,890 3.124,892 44,895 109.318,896 291.193,897 3.124,898 30.162,899 13.825,900 28.429,902 84.025,903 23.542,904 223.651,906 247.193,907 112.442,908 44,911 200.109,912 91.084,915 16.949,916 95.493,919 247.193,920 47.124,921 109.318,924 247.193,925 50.727,926 61.716,928 44,929 247.193,930 47.124,931 109.318,933 0.592,934 0.379,935 0.227,936 0.134,937 26,938 11,939 0.04,940 2,941 5,942 1.45,943 3.499,944 244.341,945 0.5,946 19,947 116.096,951 15.498,952 5.627,953 2.142,955 47.124,956 6.372,961 9.565,964 403.635,965 35,975 46.247,976 51.488,977 0.265,978 0.562,979 0.804,980 0.865,981 0.889,982 0.912,983 4.89,984 1.459,985 5.932,986 4.901,987 4.489,988 4.92,989 2.293,990 6.862,991 4.405,992 6.113,993 1.107,994 7.56,995 4.058,996 4.205,997 4.902,998 0.325,999 7.958,1000 4.094,1001 7.46,1002 1.089,1003 9.286,1004 2.726,1005 6.192,1006 7.167,1007 2.468,1008 11.142,1009 6.052,1010 8.843,1011 0.514,1012 11.069,1013 2.456,1014 6.735,1015 7.959,1016 0.393,1017 13.059,1018 6.569,1019 10.26,1020 0.413,1021 12.889,1022 1.195,1023 8.2,1024 9.736,1025 2.884,1026 15.781,1027 8.018,1028 11.7,1029 0.253,1030 14.734,1031 0.813,1032 9.112,1033 10.887,1034 0.384,1035 18.051,1036 8.91,1037 13.158,1038 -0.251,1039 16.597,1040 0.454,1041 10.393,1042 12.484,1043 3.43,1044 20.631,1045 10.18,1046 3.432,1047 -0.38,1048 18.475,1049 -0.539,1050 11.47,1051 13.805,1052 0.351,1053 23.054,1054 11.242,1055 2.963,1056 12.738,1057 20.365,1058 -0.986,1059 12.691,1060 15.33,1061 4.039,1062 25.594,1063 12.454,1064 2.773,1065 9.85,1066 22.266,1067 4.471,1068 13.842,1069 16.732,1070 0.312,1071 28.083,1072 13.593,1073 2.504,1074 9.426,1075 24.174,1076 3.965,1077 15.049,1078 18.23,1079 4.677,1080 30.617,1081 14.791,1082 2.162,1083 8.302,1084 26.091,1085 3.256,1086 16.234,1087 19.672,1088 0.273,1089 33.135,1090 15.966,1091 1.975,1092 7.069,1093 28.014,1094 3.168,1095 17.442,1096 21.16,1097 5.327,1098 35.67,1099 17.165,1100 1.675,1101 6.307,1102 29.943,1103 2.568,1104 18.645,1105 22.624,1106 0.236,1107 38.201,1108 18.357,1109 5739,1110 9014,1111 19.709,1112 30.438,1113 44.495,1114 45.862,1115 47.103,1116 44.547,1117 44.636,1118 54.317,1119 9.464,1120 140.59,1121 42.527,1122 5.693,1123 5.651,1124 6.737,1125 5.457,1126 5.432,1127 7.471,1128 2.783,1129 20.386,1130 5.378,1131 10.626,1132 1.534,1133 1.581,1134 1.624,1135 1.536,1136 1.539,1137 1.873,1138 0.326,1139 4.848,1140 1.466,1141 4.128,1142 4.145,1143 4.092,1144 4.065,1145 5.023,1146 4.069,1147 3.842,1148 3.855,1149 3.798,1150 3.733,1151 4.886,1152 3.744,1153 3.595,1154 3.642,1155 3.5,1156 3.401,1157 4.5,1158 3.416,1159 3.404,1160 3.437,1161 3.298,1162 3.216,1163 4.456,1164 3.228,1165 3.238,1166 3.31,1167 3.044,1168 2.969,1169 4.214,1170 2.972,1171 3.218,1172 3.296,1173 3.021,1174 2.939,1175 4.034,1176 2.944,1177 3.039,1178 3.117,1179 2.859,1180 2.839,1181 3.96,1182 2.838,1183 3.009,1184 3.09,1185 2.815,1186 2.829,1187 3.584,1188 2.814,1189 0.164,1190 0.126,1191 0.248,1192 0.152,1193 0.118,1194 4.744,1195 0.154,1196 3.651,1197 0.048,1198 7.199,1199 0.439,1200 4.416,1201 0.116,1202 3.432,1203 4.471,1204 1.392,1205 12.738,1206 3.378,1207 2.076,1208 2.061,1209 2.152,1210 2.155,1211 1.468,1212 2.155,1213 1.762,1214 1.743,1215 1.877,1216 1.866,1217 1.122,1218 1.869,1219 1.533,1220 1.484,1221 1.729,1222 1.762,1223 0.892,1224 1.751,1225 1.27,1226 1.22,1227 1.577,1228 1.523,1229 0.778,1230 1.54,1231 1.187,1232 1.134,1233 1.564,1234 1.521,1235 0.606,1236 1.51,1237 1.179,1238 1.098,1239 1.493,1240 1.474,1241 0.579,1242 1.486,1243 1.156,1244 1.092,1245 1.444,1246 1.418,1247 0.574,1248 1.443,1249 1.031,1250 0.933,1251 1.407,1252 1.277,1253 0.54,1254 1.33,1255 4.078,1257 5.46,1258 2.398,1259 7.064,1260 4.595,1261 8.779,1262 6.581,1263 10.558,1265 5.613,1271 3.328,1273 22.666,1275 0.353,1276 2.436,1280 29.149,1281 67.407,1282 142.761,1283 204.309,1284 219.819,1285 225.819,1286 231.819,1287 29.422,1288 8.414,1289 40.16,1290 40.16,1291 29,1292 13.032,1293 3.7,1294 2.807,1295 31.652,1296 69,1297 66,1298 0.233,1299 170.865,1300 301.28,1301 408.671,1302 50438,1304 17.129,1305 0.685,1306 0.589,1307 17.129,1308 14.718,1309 12.207,1310 0.421,1311 0.297,1312 8.433,1313 11.548,1314 8.152,1315 6.707,1316 12.207,1317 8.618,1318 11.192,1319 0.254,1320 0.156,1321 11.192,1322 6.873,1323 10.58,1324 0.158,1325 0.085,1326 10.58,1327 5.676,1328 9.65,1329 0.096,1330 0.044,1331 9.65,1332 4.442,1333 8.649,1334 0.06,1335 0.025,1336 8.649,1337 3.575,1338 0.34,1339 77.949,1340 0.225,1341 22.974,1342 0.732,1343 146,1344 418.587,1345 161.145,1346 385.519,1347 542.57,1348 368,1349 184,1350 406.113,1351 200.506,1352 412.348,1353 618.85,1354 384,1355 7.31} {0 CHEMBL469345,1 1.464,2 13.258,3 3.532,4 12.478,5 122.45,6 7.061,7 0.486,8 4.176,9 4.299,10 3.718,11 3.711,12 5.181,13 3.685,14 4.756,15 4.948,16 4.09,17 4.119,18 5.699,19 4.079,20 5.01,21 5.215,22 4.2,23 4.318,24 5.983,25 4.246,26 5.106,27 5.326,28 4.079,29 4.362,30 5.975,31 4.238,32 5.173,33 5.439,34 3.956,35 4.325,36 5.942,37 4.169,38 5.064,39 5.336,40 3.828,41 4.194,42 5.825,43 4.031,44 4.961,45 5.239,46 3.701,47 4.031,48 5.723,49 3.883,50 4.791,51 5.051,52 3.59,53 3.933,54 5.56,55 3.786,56 0.025,57 0.878,58 12.923,59 5.408,60 7.098,61 7.414,62 0.271,63 1.473,64 25.366,65 8.613,66 20.59,67 12.357,68 0.476,69 1.823,70 33.305,71 11.631,72 43.886,73 16.535,74 0.301,75 1.902,76 36.847,77 14.369,78 39.609,79 20.006,80 0.419,81 1.948,82 41.063,83 15.022,84 42.28,85 21.715,86 0.284,87 1.774,88 36.579,89 13.316,90 35.429,91 19.59,92 0.397,93 1.553,94 33.96,95 11.285,96 40.473,97 16.533,98 0.398,99 1.337,100 28.125,101 9.703,102 30.777,103 14.118,104 10,105 50,106 0.237,107 0.546,108 0.736,109 0.844,110 0.855,111 0.855,112 3.472,113 0.938,114 -3.65,115 -3.62,116 -3.44,119 42.4,120 1,121 1,124 1,125 6,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 9,178 8,181 3,182 10,189 6,192 1,193 8,199 6,202 1,203 6,211 2,214 1,215 7,222 1,225 1,226 3,233 2,236 2,237 1,244 4,248 1,249 3,256 6,259 1504,260 21.223,261 21.223,262 21.223,263 21.223,264 21.223,265 19.078,266 26.098,267 12.309,268 21.693,269 17.248,270 17.248,271 17.248,272 17.248,273 17.248,274 13.9,275 33.711,276 5.804,277 17.994,278 4.419,279 2.509,280 1.334,281 0.67,282 0.602,283 0.602,284 4.184,288 1,289 1,290 917,291 2.739,295 414.951,299 277.987,302 1.975,303 21.433,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 411,316 4.551,317 3.8,318 6.743,319 4.125,320 3.17,321 4.474,322 2.055,323 10.929,324 3.046,325 4.464,326 3.281,327 6.695,328 4.108,329 3.139,330 4.077,331 0.933,332 10.856,333 3.023,334 3.86,335 3.183,336 5.935,337 3.6,338 2.658,339 3.249,340 0.8,341 8.12,342 2.52,343 3.825,344 2.875,345 5.807,346 3.521,347 2.549,348 3.076,349 0.8,350 7.994,351 2.452,352 3.53,353 2.648,354 5.33,355 3.295,356 2.356,357 2.735,358 0.51,359 6.882,360 2.212,361 3.344,362 2.439,363 5.041,364 3.007,365 2.042,366 2.521,368 5.741,369 1.967,370 3.225,371 2.256,372 4.959,373 2.869,374 1.876,375 2.408,377 5.527,378 1.852,379 3.028,380 2.092,381 4.56,382 2.578,383 1.608,384 2.242,386 4.497,387 1.561,388 2.915,389 1.651,390 4.343,391 2.494,392 1.555,393 2.075,395 4.036,396 1.451,397 2.776,398 1.482,399 4.035,400 2.399,401 1.418,402 1.844,404 3.464,405 1.387,406 2.388,407 1.43,408 3.652,409 2.169,410 1.217,411 1.373,413 2.762,414 1.147,415 2.248,416 1.233,417 3.414,418 1.967,419 1,420 1.16,422 2.275,423 0.965,424 2,425 1.146,426 3.375,427 1.83,428 0.854,429 1,431 2.03,432 0.832,433 1.797,434 0.917,435 3.234,436 1.6,437 0.628,438 0.708,440 1.525,441 0.609,442 1.608,443 0.771,444 2.804,445 1.22,446 0.249,447 0.306,449 0.555,450 0.236,451 14.767,452 0.476,453 0.747,454 0.024,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 27.52,462 0.888,463 33.233,464 0.563,465 29.198,466 0.942,467 7.877,468 0.254,469 7.22,470 0.233,471 0.09,473 0.352,479 0.784,480 1.479,481 0.805,482 1.175,483 0.583,484 1.019,485 1.159,486 1.078,487 0.903,488 0.865,489 0.647,490 0.838,491 1.051,492 0.975,493 1.034,494 0.956,495 0.91,496 0.973,497 0.995,498 1.158,499 1.125,500 1.208,501 0.954,502 1.195,503 0.868,504 0.977,505 1.02,506 1.01,507 0.687,508 1.035,509 0.674,510 1.086,511 1.008,512 1.117,513 0.684,514 1.103,515 1.141,516 0.918,517 1.033,518 0.916,519 1.008,520 0.953,521 1.024,522 0.947,523 1.113,524 0.979,525 0.863,526 1.046,527 5.5,528 0.14,529 4.222,530 2.063,531 1.947,532 0.951,533 0.584,534 0.375,535 0.25,536 0.209,537 14897,538 34520,539 2.16,540 47.5,542 23,546 3,547 2,550 1.731,551 2.044,552 3.646,553 -0.799,555 1,559 86.374,560 1.464,561 3.373,562 4.548,563 5.213,564 5.281,565 5.281,566 3.042,567 4.736,568 4.931,569 3.833,570 1782.43,571 8.575,572 26118.4,574 1,577 347.076,578 1.332,579 4.896,580 0.157,581 0.006,582 0.084,583 0.038,584 0.042,585 0.024,586 0.017,587 0.013,588 0.009,589 0.009,590 0.399,591 0.5,592 0.88,593 0.486,594 163.194,595 0.019,596 -0.29,597 0.088,598 -0.111,599 -0.005,600 -0.023,601 -0.058,602 0.064,603 0.066,604 0.106,605 0.026,606 0.106,607 0.042,608 0.12,609 -0.061,610 0.019,611 0.068,612 -0.019,613 -0.071,614 -0.166,615 -0.17,616 -0.187,617 -0.056,618 -0.195,619 -0.023,620 -0.035,621 -0.043,622 -0.02,623 -0.02,624 -0.034,625 0.027,626 -0.129,627 -0.041,628 -0.136,629 -0.017,630 -0.103,631 -0.089,632 0.026,633 -0.021,634 0.031,635 -0.105,636 0.015,637 -0.019,638 0.025,639 -0.119,640 -0.014,641 -0.061,642 -0.072,643 1.667,644 4.904,645 0.839,646 30.177,647 0.994,648 1.125,649 2.417,650 5.842,651 0.662,652 3.584,653 3.932,654 4.248,655 4.522,656 4.796,657 4.844,658 4.956,659 5.056,660 5.159,661 5.187,662 7.708,663 0.624,664 416.57,665 3.584,666 5.142,667 6.014,668 6.903,669 7.788,670 8.68,671 9.569,672 10.462,673 11.352,674 12.245,675 6.8,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 6,724 6,730 5,731 7,736 1,743 1,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 2,827 31,833 7,835 1,838 3,847 3.4,850 1,852 1,854 15.167,855 11.3,856 6.694,857 3.672,858 3.563,859 1.424,860 1.011,861 5.554,862 11.959,863 3.818,864 4.419,865 5.016,866 5.591,867 6.157,868 6.394,869 6.708,870 7.011,871 7.277,872 7.161,873 0.889,874 54,875 11.499,877 4.914,878 7.543,879 22.594,881 19.067,883 2.043,884 63.333,887 1,888 329.591,889 136.808,890 26.158,892 36.145,895 136.808,896 365.736,897 26.158,898 17.222,899 20.78,900 75.81,901 46.635,902 38.665,904 329.591,906 329.591,907 162.966,908 36.145,911 306.049,912 59.687,915 37.63,916 108.551,917 16.786,919 329.591,920 62.303,921 136.808,924 329.591,925 43.776,926 102.405,928 52.93,929 329.591,930 62.303,931 136.808,933 0.589,934 0.355,935 0.194,936 0.109,937 26,938 11,939 0.063,940 4,941 2,942 1.154,943 4.304,944 287.153,945 0.154,946 26,947 147.58,951 20.289,952 8.486,953 4.001,954 2.297,955 62.303,956 16.78,957 4.681,961 5.245,964 528.702,965 44.5,970 11.904,975 58.665,976 66.394,977 0.249,978 0.573,979 0.773,980 0.886,981 0.898,982 0.898,983 5.077,984 1.608,985 6.004,986 5.527,987 4.615,988 5.106,989 2.506,990 6.838,991 4.533,992 6.274,993 1.555,994 7.578,995 4.497,996 4.205,997 4.934,998 1.803,999 7.786,1000 4.078,1001 7.584,1002 1.418,1003 9.253,1004 4.036,1005 6.232,1006 7.304,1007 3.344,1008 10.907,1009 6.067,1010 8.929,1011 1.217,1012 10.988,1013 3.464,1014 6.648,1015 7.98,1016 3.307,1017 12.694,1018 6.436,1019 10.308,1020 1,1021 12.762,1022 2.762,1023 8.137,1024 9.839,1025 4.562,1026 15.338,1027 7.89,1028 11.712,1029 0.854,1030 14.563,1031 2.275,1032 8.938,1033 10.924,1034 4.855,1035 17.469,1036 8.647,1037 13.135,1038 0.628,1039 16.385,1040 2.03,1041 10.212,1042 12.571,1043 5.901,1044 19.951,1045 9.886,1046 3.17,1047 0.249,1048 18.221,1049 1.525,1050 11.196,1051 13.858,1052 6.37,1053 22.227,1054 10.828,1055 3.139,1056 10.929,1057 20.069,1058 0.555,1059 12.383,1060 15.411,1061 7.287,1062 24.649,1063 11.981,1064 2.658,1065 10.856,1066 21.926,1067 4.474,1068 13.452,1069 16.798,1070 7.856,1071 26.988,1072 13.01,1073 2.549,1074 8.12,1075 23.791,1076 4.077,1077 14.608,1078 18.31,1079 8.696,1080 29.389,1081 14.129,1082 2.356,1083 7.994,1084 25.663,1085 3.249,1086 15.716,1087 19.745,1088 9.324,1089 31.754,1090 15.198,1091 2.042,1092 6.882,1093 27.539,1094 3.076,1095 16.862,1096 21.24,1097 10.117,1098 34.146,1099 16.307,1100 1.876,1101 5.741,1102 29.42,1103 2.735,1104 17.989,1105 22.699,1106 10.781,1107 36.524,1108 17.396,1109 13685,1110 20972,1111 23.868,1112 39.069,1113 52.975,1114 54.058,1115 54.251,1116 52.678,1117 52.638,1118 66.495,1119 10.197,1120 154.388,1121 50.517,1122 5.551,1123 5.8,1124 6.273,1125 5.234,1126 5.17,1127 7.474,1128 3.661,1129 18.278,1130 5.046,1131 13.24,1132 1.514,1133 1.545,1134 1.55,1135 1.505,1136 1.504,1137 1.9,1138 0.291,1139 4.411,1140 1.443,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 7.427,1146 4.021,1147 3.991,1148 4.016,1149 3.945,1150 3.894,1151 4.984,1152 3.901,1153 3.79,1154 3.859,1155 3.682,1156 3.599,1157 4.829,1158 3.609,1159 3.562,1160 3.611,1161 3.475,1162 3.418,1163 4.441,1164 3.414,1165 3.506,1166 3.556,1167 3.404,1168 3.346,1169 4.305,1170 3.365,1171 3.323,1172 3.391,1173 3.176,1174 3.169,1175 4.274,1176 3.161,1177 3.141,1178 3.227,1179 2.972,1180 2.954,1181 4.03,1182 2.942,1183 3.111,1184 3.206,1185 2.895,1186 2.941,1187 3.954,1188 2.91,1189 0.13,1190 0.109,1191 0.193,1192 0.118,1193 0.091,1194 4.551,1195 0.128,1196 3.8,1197 0.059,1198 6.743,1199 0.312,1200 4.125,1201 0.087,1202 3.17,1203 4.474,1204 2.055,1205 10.929,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.359,1212 2.144,1213 1.944,1214 1.921,1215 2.05,1216 2.07,1217 1.246,1218 2.062,1219 1.745,1220 1.676,1221 1.939,1222 1.958,1223 1.158,1224 1.956,1225 1.529,1226 1.481,1227 1.74,1228 1.722,1229 0.928,1230 1.726,1231 1.479,1232 1.431,1233 1.703,1234 1.654,1235 0.825,1236 1.676,1237 1.323,1238 1.26,1239 1.589,1240 1.518,1241 0.806,1242 1.545,1243 1.153,1244 1.064,1245 1.513,1246 1.415,1247 0.732,1248 1.441,1249 1.119,1250 1.042,1251 1.479,1252 1.376,1253 0.596,1254 1.429,1255 4.263,1257 5.602,1259 7.152,1261 8.798,1263 10.493,1265 3.854,1271 6.109,1273 5.777,1276 6.687,1280 36.837,1281 86.374,1282 199.028,1283 268.347,1284 307.566,1285 311.566,1286 311.566,1287 43.15,1288 8.395,1289 48.91,1290 48.91,1291 30,1292 12.772,1293 4.248,1294 3.392,1295 43.984,1296 148,1297 127,1298 0.145,1299 222.435,1300 384.38,1301 534.502,1302 62496,1304 21.372,1305 0.689,1306 0.586,1307 21.372,1308 18.174,1309 15.097,1310 0.431,1311 0.313,1312 10.796,1313 14.536,1314 10.489,1315 8.641,1316 15.097,1317 10.949,1318 13.728,1319 0.275,1320 0.168,1321 13.728,1322 8.382,1323 12.204,1324 0.177,1325 0.093,1326 12.204,1327 6.41,1328 10.182,1329 0.112,1330 0.05,1331 10.182,1332 4.571,1333 8.702,1334 0.073,1335 0.028,1336 8.702,1337 3.363,1338 0.235,1339 94.287,1340 0.205,1341 29.45,1342 0.382,1343 170,1344 440.052,1345 184.722,1346 424.47,1347 594.85,1348 402,1349 204,1350 448.006,1351 220.913,1352 453.676,1353 670.08,1354 428,1355 9.5} {0 CHEMBL469374,1 1.569,2 13.313,3 3.738,4 13.972,5 122.666,6 7.365,7 0.472,8 4.184,9 4.304,10 3.754,11 3.71,12 5.236,13 3.695,14 4.765,15 4.953,16 4.139,17 4.117,18 5.783,19 4.092,20 5.023,21 5.224,22 4.248,23 4.316,24 6.068,25 4.26,26 5.117,27 5.332,28 4.16,29 4.36,30 6.082,31 4.252,32 5.185,33 5.444,34 4.065,35 4.321,36 6.048,37 4.192,38 5.092,39 5.353,40 3.962,41 4.188,42 6.039,43 4.066,44 4.991,45 5.259,46 3.767,47 4.027,48 5.928,49 3.905,50 4.795,51 5.053,52 3.631,53 3.932,54 5.596,55 3.794,56 0.015,57 0.947,58 12.228,59 5.438,60 5.627,61 7.139,62 0.284,63 1.566,64 24.851,65 8.657,66 23.162,67 11.928,68 0.536,69 1.956,70 33.214,71 11.71,72 49.338,73 15.841,74 0.447,75 2.041,76 36.877,77 14.39,78 51.705,79 19.684,80 0.474,81 2.084,82 41.888,83 15.084,84 50.326,85 21.219,86 0.441,87 2.037,88 38.52,89 13.466,90 64.06,91 18.466,92 0.702,93 1.765,94 36.356,95 11.402,96 80.345,97 15.496,98 0.432,99 1.349,100 28.298,101 9.71,102 36.174,103 13.978,104 17,105 52,106 0.254,107 0.57,108 0.759,109 0.855,110 0.855,111 0.855,112 3.502,113 0.921,114 -4.02,115 -3.97,116 -3.76,119 42.4,120 1,121 1,124 1,125 6,140 7,141 2,142 4,144 2,156 1,169 6,171 1,172 9,178 8,181 3,182 8,189 5,192 1,193 8,199 5,202 1,203 6,214 1,215 6,222 1,225 1,226 3,233 2,236 2,237 1,244 3,248 1,249 3,256 5,259 1614,260 21.67,261 21.67,262 21.67,263 21.67,264 21.67,265 19.501,266 27.725,267 12.498,268 22.203,269 17.748,270 17.748,271 17.748,272 17.748,273 17.748,274 14.319,275 35.66,276 5.927,277 18.609,278 4.313,279 2.362,280 1.193,281 0.602,282 0.602,283 0.602,284 4.212,288 1,289 1,290 946,291 2.828,295 429.603,299 288.357,302 1.961,303 31.406,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69.5,315 426,316 4.581,317 3.8,318 6.743,319 4.137,320 3.172,321 4.509,322 2.055,323 10.948,324 3.068,325 4.464,326 3.329,327 6.715,328 4.124,329 3.167,330 4.077,331 0.933,332 10.929,333 3.023,334 3.863,335 3.184,336 5.935,337 3.602,338 2.661,339 3.282,340 0.8,341 8.123,342 2.52,343 3.826,344 2.921,345 5.816,346 3.521,347 2.55,348 3.076,349 0.8,350 8.033,351 2.452,352 3.618,353 2.706,354 5.332,355 3.309,356 2.367,357 2.952,358 0.51,359 6.89,360 2.227,361 3.461,362 2.648,363 5.043,364 3.136,365 2.204,366 2.644,368 6.049,369 2.046,370 3.3,371 2.437,372 5.026,373 2.92,374 1.956,375 2.506,377 5.649,378 1.88,379 3.221,380 2.207,381 4.952,382 2.864,383 1.874,384 2.397,386 5.524,387 1.836,388 2.916,389 2.09,390 4.556,391 2.523,392 1.582,393 2.075,395 4.483,396 1.486,397 2.874,398 1.634,399 4.343,400 2.478,401 1.526,402 1.962,404 4.032,405 1.443,406 2.402,407 1.437,408 3.728,409 2.176,410 1.222,411 1.386,413 2.775,414 1.154,415 2.312,416 1.233,417 3.651,418 1.967,419 1,420 1.262,422 2.498,423 0.965,424 2,425 1.146,426 3.414,427 1.933,428 0.968,429 1,431 2.275,432 0.93,433 1.797,434 1.105,435 3.245,436 1.606,437 0.635,438 0.71,440 1.547,441 0.615,442 1.609,443 0.795,444 2.838,445 1.22,446 0.249,447 0.306,449 0.555,450 0.236,451 15.052,452 0.47,453 0.853,454 0.027,455 40.75,456 1.273,457 19,458 0.594,459 21.75,460 0.68,461 29.099,462 0.909,463 34.748,464 0.589,465 31.096,466 0.972,467 8.081,468 0.253,469 7.411,470 0.232,471 0.108,473 0.379,477 1,479 0.675,480 1.328,481 0.75,482 1.173,483 0.52,484 1.011,485 0.943,486 1.019,487 0.842,488 0.866,489 0.549,490 0.824,491 1,492 0.954,493 1.032,494 0.955,495 0.892,496 0.976,497 0.743,498 1.009,499 1.041,500 1.204,501 0.703,502 1.196,503 0.792,504 0.977,505 0.949,506 1.013,507 0.656,508 1.016,509 1.069,510 1.204,511 1.074,512 1.12,513 1.178,514 1.1,515 1.463,516 0.967,517 1.219,518 0.912,519 1.527,520 0.997,521 0.762,522 0.834,523 1.051,524 0.975,525 0.575,526 1.051,527 6.5,528 0.157,529 4.222,530 2.25,531 2.298,532 1.201,533 0.644,534 0.434,535 0.274,536 0.209,537 15894,538 41063,539 2.135,540 45.8,542 22,546 3,547 2,550 1.74,551 2,552 3.635,553 -0.774,555 1,559 92.598,560 1.569,561 3.521,562 4.69,563 5.281,564 5.281,565 5.281,566 3.018,567 4.39,568 4.977,569 3.839,570 1904.04,571 8.671,572 28502.4,574 1,577 347.076,578 1.406,579 4.933,580 0.181,581 0.006,582 0.081,583 0.04,584 0.047,585 0.027,586 0.017,587 0.014,588 0.01,589 0.008,590 0.432,591 0.5,592 0.88,593 0.531,594 169.884,595 -0.007,596 -0.241,597 0.076,598 -0.111,599 -0.014,600 -0.024,601 -0.061,602 0.011,603 0.08,604 0.102,605 0.043,606 0.12,607 -0.028,608 0.089,609 -0.088,610 0.019,611 -0.011,612 -0.026,613 0.052,614 -0.094,615 -0.112,616 -0.186,617 0.026,618 -0.19,620 -0.095,621 0.023,622 -0.026,623 0.016,624 -0.006,625 -0.056,626 -0.126,627 -0.068,628 -0.135,629 -0.065,630 -0.108,631 -0.162,632 0.134,633 -0.162,634 0.041,635 -0.201,636 -0.041,637 -0.006,638 -0.008,639 -0.087,640 -0.016,641 -0.017,642 -0.061,643 1.912,644 6.245,645 0.813,646 31.313,647 1.003,648 1.131,649 2.788,650 7.77,651 0.661,652 3.611,653 3.97,654 4.277,655 4.564,656 4.852,657 4.92,658 5.011,659 5.136,660 5.209,661 5.236,662 7.782,663 0.631,664 434.56,665 3.611,666 5.176,667 6.047,668 6.942,669 7.828,670 8.726,671 9.617,672 10.515,673 11.408,674 12.307,675 6.8,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 59,716 18,717 2,718 36,720 63,721 25,722 15,723 7,724 5,730 5,731 7,736 1,743 1,745 16,746 9,750 1,755 1,759 1,761 1,762 1,764 27,765 7,767 7,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 2,825 1,827 32,833 7,835 1,838 3,846 1,847 3.4,850 1,852 1,854 16,855 11.36,856 6.861,857 3.652,858 3.569,859 1.422,860 1.011,861 5.746,862 12.034,863 3.839,864 4.454,865 5.045,866 5.636,867 6.219,868 6.49,869 6.779,870 7.115,871 7.342,872 7.255,873 0.889,874 56,875 11.912,877 5.169,878 7.719,879 23.016,881 19.436,883 2.219,884 71,887 1,888 317.82,889 136.453,890 26.158,892 36.145,893 14.96,895 136.453,896 353.965,897 41.119,898 17.222,899 20.78,900 66.334,901 46.635,902 47.786,903 14.96,904 317.82,906 317.82,907 162.611,908 51.105,911 309.238,912 59.687,915 37.63,916 108.196,917 16.786,919 332.78,920 62.303,921 136.453,924 317.82,925 52.897,926 92.928,928 67.89,929 317.82,930 77.263,931 136.453,933 0.592,934 0.353,935 0.193,936 0.113,937 27,938 12,939 0.063,940 4,941 2,942 1.154,943 4.339,944 301.406,945 0.154,946 26,947 156,951 21.173,952 8.685,953 4.206,954 1.705,955 77.263,956 13.138,957 4.502,961 4.353,964 531.536,965 45.5,970 11.901,974 -0.027,975 59.178,976 66.734,977 0.267,978 0.598,979 0.797,980 0.898,981 0.898,982 0.898,983 5.107,984 1.874,985 6.047,986 5.649,987 4.654,988 5.142,989 2.506,990 6.887,991 4.563,992 6.314,993 1.582,994 7.625,995 5.524,996 4.29,997 5.027,998 1.803,999 7.83,1000 4.146,1001 7.631,1002 1.526,1003 9.301,1004 4.483,1005 6.279,1006 7.351,1007 3.344,1008 10.951,1009 6.101,1010 8.98,1011 1.222,1012 11.034,1013 4.032,1014 6.711,1015 8.052,1016 3.307,1017 12.723,1018 6.484,1019 10.362,1020 1,1021 12.805,1022 2.775,1023 8.183,1024 9.89,1025 4.562,1026 15.375,1027 7.924,1028 11.767,1029 0.968,1030 14.602,1031 2.498,1032 8.99,1033 10.987,1034 4.855,1035 17.5,1036 8.687,1037 13.19,1038 0.635,1039 16.42,1040 2.275,1041 10.258,1042 12.626,1043 5.901,1044 19.988,1045 9.921,1046 3.172,1047 0.249,1048 18.253,1049 1.547,1050 11.246,1051 13.923,1052 6.37,1053 22.265,1054 10.868,1055 3.167,1056 10.948,1057 20.098,1058 0.555,1059 12.432,1060 15.474,1061 7.287,1062 24.692,1063 12.02,1064 2.661,1065 10.929,1066 21.953,1067 4.509,1068 13.505,1069 16.87,1070 7.856,1071 27.034,1072 13.053,1073 2.55,1074 8.123,1075 23.817,1076 4.077,1077 14.662,1078 18.385,1079 8.696,1080 29.438,1081 14.175,1082 2.367,1083 8.033,1084 25.688,1085 3.282,1086 15.775,1087 19.829,1088 9.324,1089 31.808,1090 15.248,1091 2.204,1092 6.89,1093 27.564,1094 3.076,1095 16.924,1096 21.329,1097 10.117,1098 34.204,1099 16.36,1100 1.956,1101 6.049,1102 29.444,1103 2.952,1104 18.055,1105 22.798,1106 10.781,1107 36.586,1108 17.453,1109 14677,1110 23734,1111 24.274,1112 39.006,1113 54.571,1114 55.95,1115 56.108,1116 54.367,1117 54.269,1118 68.29,1119 10.197,1120 160.619,1121 51.762,1122 5.581,1123 5.8,1124 6.272,1125 5.246,1126 5.172,1127 7.509,1128 3.661,1129 18.297,1130 5.068,1131 15.5,1132 1.516,1133 1.554,1134 1.559,1135 1.51,1136 1.507,1137 1.897,1138 0.283,1139 4.462,1140 1.438,1141 4.101,1142 4.133,1143 4.066,1144 4.015,1145 8.201,1146 4.024,1147 3.991,1148 4.016,1149 3.946,1150 3.894,1151 7.427,1152 3.901,1153 3.79,1154 3.859,1155 3.682,1156 3.599,1157 4.949,1158 3.609,1159 3.564,1160 3.612,1161 3.48,1162 3.417,1163 4.829,1164 3.419,1165 3.518,1166 3.564,1167 3.438,1168 3.346,1169 4.404,1170 3.367,1171 3.326,1172 3.393,1173 3.189,1174 3.169,1175 4.294,1176 3.162,1177 3.142,1178 3.227,1179 2.993,1180 2.953,1181 4.194,1182 2.948,1183 3.111,1184 3.206,1185 2.906,1186 2.941,1187 4.022,1188 2.91,1189 0.127,1190 0.106,1191 0.187,1192 0.115,1193 0.088,1194 4.581,1195 0.125,1196 3.8,1197 0.057,1198 6.743,1199 0.304,1200 4.137,1201 0.085,1202 3.172,1203 4.509,1204 2.055,1205 10.948,1206 3.068,1207 2.044,1208 2.019,1209 2.116,1210 2.148,1211 1.358,1212 2.14,1213 1.944,1214 1.921,1215 2.05,1216 2.07,1217 1.244,1218 2.062,1219 1.745,1220 1.676,1221 1.938,1222 1.958,1223 1.156,1224 1.956,1225 1.523,1226 1.476,1227 1.728,1228 1.722,1229 0.928,1230 1.725,1231 1.476,1232 1.429,1233 1.691,1234 1.655,1235 0.825,1236 1.668,1237 1.322,1238 1.259,1239 1.587,1240 1.518,1241 0.795,1242 1.543,1243 1.153,1244 1.064,1245 1.513,1246 1.415,1247 0.731,1248 1.441,1249 1.117,1250 1.038,1251 1.479,1252 1.376,1253 0.596,1254 1.429,1255 4.29,1257 5.638,1259 7.191,1261 8.839,1263 10.537,1265 3.716,1267 14.245,1271 5.361,1273 5.753,1276 6.352,1280 37.22,1281 92.598,1282 207.725,1283 276.695,1284 311.566,1285 311.566,1286 311.566,1287 53.911,1288 8.465,1289 48.91,1290 48.91,1291 30,1292 12.831,1293 4.248,1294 3.392,1295 46.041,1296 155,1297 126,1298 0.146,1299 223.633,1300 390.45,1301 537.425,1302 67455,1303 1.7,1304 22.242,1305 0.695,1306 0.577,1307 21.372,1308 18.475,1309 15.491,1310 0.43,1311 0.307,1312 10.871,1313 14.811,1314 10.582,1315 8.692,1316 15.097,1317 11.049,1318 14.373,1319 0.276,1320 0.164,1321 13.728,1322 8.53,1323 12.472,1324 0.176,1325 0.091,1326 12.204,1327 6.451,1328 10.501,1329 0.111,1330 0.048,1331 10.182,1332 4.601,1333 9.04,1334 0.071,1335 0.027,1336 8.702,1337 3.394,1338 0.235,1339 97.516,1340 0.203,1341 30.158,1342 0.385,1343 176,1344 534.163,1345 194.553,1346 486.692,1347 666.24,1348 458,1349 211,1350 491.34,1351 230.824,1352 490.464,1353 723.98,1354 462,1355 10.1} {0 CHEMBL469375,1 1.447,2 14.094,3 3.989,4 15.909,5 127.051,6 6.945,7 0.472,8 4.219,9 4.345,10 3.746,11 3.753,12 5.211,13 3.723,14 4.804,15 4.998,16 4.112,17 4.161,18 5.73,19 4.115,20 5.064,21 5.277,22 4.22,23 4.359,24 6.013,25 4.279,26 5.156,27 5.383,28 4.1,29 4.402,30 6.006,31 4.273,32 5.213,33 5.477,34 3.965,35 4.368,36 5.966,37 4.205,38 5.142,39 5.428,40 3.811,41 4.231,42 5.868,43 4.051,44 4.984,45 5.276,46 3.694,47 4.058,48 5.71,49 3.896,50 4.818,51 5.072,52 3.648,53 3.972,54 5.58,55 3.831,56 0.033,57 0.917,58 13.847,59 5.746,60 7.349,61 7.955,62 0.28,63 1.537,64 26.95,65 9.192,66 21.096,67 13.317,68 0.493,69 1.906,70 35.631,71 12.441,72 45.281,73 17.879,74 0.333,75 1.986,76 39.157,77 15.089,78 40.699,79 21.205,80 0.359,81 2.019,82 42.465,83 15.853,84 40.676,85 22.887,86 0.372,87 1.867,88 40.06,89 14.288,90 39.329,91 21.265,92 0.383,93 1.594,94 34.571,95 11.747,96 36.614,97 17.503,98 0.259,99 1.36,100 28.581,101 10.338,102 27.208,103 14.852,104 10,105 51,106 0.232,107 0.542,108 0.746,109 0.847,110 0.857,111 0.857,112 3.502,113 0.954,114 -3.85,115 -3.81,116 -3.62,119 41.9,120 1,121 2,124 1,125 6,140 8,141 2,142 3,144 2,156 1,169 9,171 1,172 9,178 9,181 3,182 10,189 7,192 1,193 9,199 7,203 7,211 3,214 1,215 7,222 1,225 2,226 5,233 2,237 1,244 4,248 2,249 3,256 6,259 1682,260 21.93,261 21.93,262 21.93,263 21.93,264 21.93,265 19.786,266 27.929,267 12.795,268 22.4,269 17.748,270 17.748,271 17.748,272 17.748,273 17.748,274 14.4,275 36.321,276 6.03,277 18.496,278 4.507,279 2.576,280 1.302,281 0.67,282 0.605,283 0.605,284 4.214,288 1,289 1,290 1004,291 2.915,295 443.988,299 296.761,302 2.088,303 21.607,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 451,316 4.551,317 3.8,318 6.743,319 4.124,320 3.169,321 4.474,322 2.055,323 10.929,324 3.046,325 4.464,326 3.28,327 6.695,328 4.108,329 3.139,330 4.077,331 0.933,332 10.856,333 3.023,334 3.857,335 3.179,336 5.933,337 3.588,338 2.65,339 3.249,340 0.8,341 8.102,342 2.506,343 3.825,344 2.877,345 5.807,346 3.531,347 2.552,348 3.074,349 0.8,350 8.001,351 2.465,352 3.535,353 2.644,354 5.327,355 3.311,356 2.374,357 2.735,358 0.51,359 6.889,360 2.225,361 3.341,362 2.457,363 5.05,364 3.01,365 2.045,366 2.507,368 5.735,369 1.969,370 3.245,371 2.257,372 4.961,373 2.893,374 1.895,375 2.437,377 5.559,378 1.881,379 3.031,380 2.119,381 4.56,382 2.586,383 1.618,384 2.247,386 4.499,387 1.568,388 2.915,389 1.658,390 4.354,391 2.508,392 1.574,393 2.075,395 4.072,396 1.461,397 2.787,398 1.497,399 4.037,400 2.416,401 1.431,402 1.857,404 3.473,405 1.407,406 2.446,407 1.456,408 3.657,409 2.256,410 1.284,411 1.438,413 2.854,414 1.239,415 2.267,416 1.238,417 3.45,418 1.968,419 1.007,420 1.197,422 2.321,423 0.965,424 2.088,425 1.146,426 3.414,427 1.967,428 1,429 1.03,431 2.275,432 0.962,433 2,434 1.113,435 3.348,436 1.782,437 0.806,438 1,440 1.94,441 0.785,442 1.646,443 0.866,444 2.863,445 1.26,446 0.287,447 0.348,449 0.657,450 0.274,451 15.267,452 0.477,453 0.747,454 0.023,455 40.5,456 1.266,457 19,458 0.594,459 21.5,460 0.672,461 29.357,462 0.917,463 34.533,464 0.557,465 29.357,466 0.917,467 7.877,468 0.246,469 7.72,470 0.241,471 0.087,473 0.341,479 0.785,480 1.48,481 0.824,482 1.186,483 0.583,484 1.035,485 1.151,486 1.094,487 0.92,488 0.893,489 0.644,490 0.866,491 1.034,492 0.974,493 1.023,494 0.955,495 0.896,496 0.97,497 1.012,498 1.113,499 1.118,500 1.168,501 0.952,502 1.165,503 0.887,504 1.037,505 1.052,506 1.076,507 0.696,508 1.087,509 0.705,510 1.041,511 0.996,512 1.05,513 0.675,514 1.055,515 0.862,516 0.841,517 0.957,518 0.887,519 0.907,520 0.919,521 1.085,522 1.081,523 1.058,524 1.07,525 0.922,526 1.068,527 5.5,528 0.157,529 4.222,530 2.188,531 1.867,532 0.896,533 0.664,534 0.358,535 0.197,536 0.216,537 16830,538 38345,539 2.154,540 48.4,541 2,542 23,546 3,547 2,550 1.737,551 2.043,552 3.726,553 -0.805,555 1,559 89.742,560 1.447,561 3.378,562 4.652,563 5.285,564 5.349,565 5.349,566 3.147,567 4.75,568 4.977,569 3.926,570 1947.22,571 8.658,572 29862.4,574 1,577 369.16,578 1.317,579 4.943,580 0.153,581 0.007,582 0.083,583 0.04,584 0.04,585 0.022,586 0.02,587 0.012,588 0.007,589 0.008,590 0.391,591 0.5,592 0.88,593 0.476,594 171.434,595 0.024,596 -0.28,597 0.087,598 -0.107,599 0.002,600 -0.021,601 -0.048,602 0.049,603 0.059,604 0.088,605 0.033,606 0.09,607 0.055,608 0.116,609 -0.041,610 0.025,611 0.08,612 -0.006,613 -0.076,614 -0.116,615 -0.156,616 -0.15,617 -0.053,618 -0.164,619 -0.064,620 -0.093,621 -0.084,622 -0.078,623 -0.03,624 -0.084,625 0.035,626 -0.103,627 -0.022,628 -0.078,629 -0.003,630 -0.061,631 0.002,632 0.109,633 0.037,634 0.06,635 -0.057,636 0.055,637 -0.087,638 -0.126,639 -0.073,640 -0.081,641 -0.095,642 -0.079,643 1.662,644 4.892,645 0.813,646 32.813,647 0.993,648 1.126,649 2.621,650 6.871,651 0.659,652 3.611,653 3.951,654 4.263,655 4.533,656 4.796,657 4.836,658 4.942,659 5.024,660 5.094,661 5.106,662 8.215,663 0.619,664 430.6,665 3.611,666 5.165,667 6.033,668 6.919,669 7.8,670 8.689,671 9.575,672 10.465,673 11.353,674 12.243,675 6.5,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 62,716 18,717 2,718 36,720 66,721 26,722 15,723 6,724 6,730 5,731 7,736 1,743 2,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 2,827 32,833 8,835 1,838 3,847 3.2,850 1,852 1,854 15.667,855 11.8,856 6.944,857 3.922,858 3.542,859 1.42,860 1.006,861 6.03,862 11.965,863 3.839,864 4.431,865 5.022,866 5.594,867 6.155,868 6.387,869 6.697,870 6.994,871 7.244,872 7.104,873 1,874 55,875 11.877,877 5.056,878 7.526,879 23.411,881 19.733,883 2.026,884 64.833,887 1,888 353.133,889 139.343,890 26.158,892 36.145,895 139.343,896 389.278,897 26.158,898 17.222,899 23.314,900 75.81,901 46.635,902 38.665,904 353.133,906 353.133,907 165.501,908 36.145,911 329.591,912 59.687,915 40.165,916 108.551,917 16.786,919 353.133,920 62.303,921 139.343,924 353.133,925 46.311,926 102.405,928 52.93,929 353.133,930 62.303,931 139.343,933 0.586,934 0.353,935 0.193,936 0.108,937 26,938 11,939 0.076,940 5,941 2,942 1.154,943 4.429,944 295.03,945 0.154,946 26,947 154,951 21.234,952 9.088,953 4.355,954 2.314,955 62.303,956 16.831,957 4.686,961 5.301,964 554.779,965 45.5,970 11.892,974 0.004,975 61.549,976 69.81,977 0.243,978 0.567,979 0.781,980 0.888,981 0.898,982 0.898,983 5.095,984 1.618,985 6.019,986 5.559,987 4.635,988 5.118,989 2.506,990 6.847,991 4.554,992 6.287,993 1.574,994 7.588,995 4.499,996 4.205,997 4.934,998 1.803,999 7.786,1000 4.078,1001 7.593,1002 1.431,1003 9.26,1004 4.072,1005 6.244,1006 7.308,1007 3.344,1008 10.909,1009 6.08,1010 8.935,1011 1.284,1012 10.992,1013 3.473,1014 6.648,1015 7.98,1016 3.307,1017 12.694,1018 6.436,1019 10.313,1020 1.007,1021 12.765,1022 2.854,1023 8.143,1024 9.84,1025 4.562,1026 15.337,1027 7.898,1028 11.715,1029 1,1030 14.565,1031 2.321,1032 8.938,1033 10.924,1034 4.855,1035 17.469,1036 8.648,1037 13.137,1038 0.806,1039 16.385,1040 2.275,1041 10.214,1042 12.571,1043 5.901,1044 19.95,1045 9.89,1046 3.169,1047 0.287,1048 18.221,1049 1.94,1050 11.195,1051 13.858,1052 6.37,1053 22.227,1054 10.828,1055 3.139,1056 10.929,1057 20.069,1058 0.657,1059 12.384,1060 15.411,1061 7.287,1062 24.649,1063 11.982,1064 2.65,1065 10.856,1066 21.926,1067 4.474,1068 13.451,1069 16.798,1070 7.856,1071 26.988,1072 13.009,1073 2.552,1074 8.102,1075 23.791,1076 4.077,1077 14.607,1078 18.31,1079 8.696,1080 29.388,1081 14.129,1082 2.374,1083 8.001,1084 25.662,1085 3.249,1086 15.715,1087 19.745,1088 9.324,1089 31.754,1090 15.198,1091 2.045,1092 6.889,1093 27.539,1094 3.074,1095 16.86,1096 21.239,1097 10.117,1098 34.146,1099 16.306,1100 1.895,1101 5.735,1102 29.42,1103 2.735,1104 17.987,1105 22.699,1106 10.781,1107 36.524,1108 17.395,1109 15454,1110 23474,1111 24.561,1112 40.83,1113 54.08,1114 55.407,1115 55.402,1116 53.892,1117 53.843,1118 67.695,1119 10.197,1120 156.76,1121 51.726,1122 5.551,1123 5.8,1124 6.319,1125 5.233,1126 5.169,1127 7.474,1128 3.661,1129 18.276,1130 5.046,1131 13.618,1132 1.502,1133 1.539,1134 1.539,1135 1.497,1136 1.496,1137 1.88,1138 0.283,1139 4.354,1140 1.437,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 7.427,1146 4.021,1147 3.992,1148 4.017,1149 3.945,1150 3.897,1151 4.984,1152 3.903,1153 3.803,1154 3.873,1155 3.693,1156 3.615,1157 4.829,1158 3.624,1159 3.587,1160 3.642,1161 3.489,1162 3.432,1163 4.443,1164 3.43,1165 3.513,1166 3.563,1167 3.413,1168 3.372,1169 4.305,1170 3.38,1171 3.411,1172 3.472,1173 3.262,1174 3.259,1175 4.283,1176 3.256,1177 3.157,1178 3.237,1179 3.002,1180 2.964,1181 4.045,1182 2.958,1183 3.111,1184 3.206,1185 2.923,1186 2.941,1187 3.969,1188 2.91,1189 0.126,1190 0.106,1191 0.187,1192 0.115,1193 0.088,1194 4.551,1195 0.124,1196 3.8,1197 0.057,1198 6.743,1199 0.304,1200 4.124,1201 0.085,1202 3.169,1203 4.474,1204 2.055,1205 10.929,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.371,1212 2.144,1213 1.946,1214 1.923,1215 2.059,1216 2.07,1217 1.275,1218 2.064,1219 1.761,1220 1.692,1221 1.955,1222 1.971,1223 1.174,1224 1.971,1225 1.556,1226 1.501,1227 1.784,1228 1.758,1229 1.019,1230 1.768,1231 1.5,1232 1.45,1233 1.723,1234 1.661,1235 0.825,1236 1.682,1237 1.404,1238 1.349,1239 1.646,1240 1.592,1241 0.809,1242 1.617,1243 1.153,1244 1.064,1245 1.513,1246 1.421,1247 0.766,1248 1.444,1249 1.13,1250 1.053,1251 1.48,1252 1.376,1253 0.604,1254 1.429,1255 4.29,1257 5.624,1259 7.168,1261 8.809,1263 10.499,1265 3.861,1271 7.434,1273 5.769,1276 6.742,1280 38.364,1281 89.742,1282 209.443,1283 288.431,1284 327.65,1285 331.65,1286 331.65,1287 45.674,1288 8.423,1289 48.91,1290 48.91,1291 30,1292 12.772,1293 4.248,1294 3.392,1295 46.164,1296 163,1297 136,1298 0.137,1299 232.027,1300 401.68,1301 557.907,1302 67081,1304 22.079,1305 0.69,1306 0.59,1307 22.079,1308 18.881,1309 15.597,1310 0.433,1311 0.318,1312 11.296,1313 15.036,1314 10.979,1315 9.056,1316 15.597,1317 11.449,1318 14.081,1319 0.276,1320 0.171,1321 14.081,1322 8.736,1323 12.446,1324 0.178,1325 0.095,1326 12.446,1327 6.633,1328 10.401,1329 0.113,1330 0.052,1331 10.401,1332 4.786,1333 8.801,1334 0.073,1335 0.029,1336 8.801,1337 3.487,1338 0.224,1339 97.287,1340 0.202,1341 30.453,1342 0.355,1343 174,1344 444.052,1345 188.722,1346 428.631,1347 600.61,1348 406,1349 208,1350 452.006,1351 224.913,1352 457.835,1353 675.78,1354 432,1355 8.5} {0 CHEMBL469376,1 1.432,2 14,3 4.366,4 19.063,5 131.469,6 6.84,7 0.459,8 4.261,9 4.388,10 3.773,11 3.794,12 5.245,13 3.759,14 4.849,15 5.046,16 4.15,17 4.204,18 5.763,19 4.154,20 5.119,21 5.334,22 4.272,23 4.413,24 6.059,25 4.333,26 5.237,27 5.467,28 4.162,29 4.48,30 6.073,31 4.348,32 5.314,33 5.583,34 4.036,35 4.464,36 6.048,37 4.293,38 5.25,39 5.539,40 3.911,41 4.346,42 5.964,43 4.162,44 5.11,45 5.401,46 3.832,47 4.206,48 5.839,49 4.041,50 4.97,51 5.224,52 3.783,53 4.129,54 5.748,55 3.981,56 0.041,57 0.956,58 14.759,59 6.085,60 8.479,61 8.493,62 0.284,63 1.605,64 28.502,65 9.753,66 22.479,67 14.256,68 0.52,69 2.021,70 37.982,71 13.063,72 47.258,73 18.989,74 0.369,75 2.157,76 42.69,77 16.261,78 43.136,79 23.066,80 0.382,81 2.218,82 46.946,83 17.69,84 43.83,85 25.65,86 0.397,87 2.066,88 44.457,89 16.107,90 43.324,91 23.979,92 0.395,93 1.809,94 38.873,95 13.621,96 40.667,97 20.26,98 0.283,99 1.592,100 33.18,101 12.047,102 33.085,103 17.446,104 17,105 53,106 0.227,107 0.546,108 0.78,109 0.878,110 0.888,111 0.888,112 3.532,113 0.963,114 -4.05,115 -4,116 -3.79,119 41.5,120 2,121 2,124 1,125 5,127 1,140 8,141 2,142 3,144 2,156 1,169 9,171 1,172 10,178 9,181 3,182 11,189 7,192 1,193 9,199 8,203 7,211 6,214 1,215 7,222 4,225 2,226 6,233 5,237 2,244 5,248 2,249 4,256 8,259 1851,260 22.43,261 22.43,262 22.43,263 22.43,264 22.43,265 20.286,266 29.51,267 12.988,268 22.893,269 18.226,270 18.226,271 18.226,272 18.226,273 18.226,274 14.878,275 39.856,276 6.105,277 18.974,278 4.59,279 2.585,280 1.112,281 0.496,282 0.435,283 0.435,284 4.241,289 1,290 1025,291 3,295 459.176,299 306.381,302 2.121,303 22.595,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70,315 462,316 4.553,317 3.8,318 6.743,319 4.125,320 3.169,321 4.474,322 2.055,323 10.929,324 3.052,325 4.464,326 3.317,327 6.701,328 4.119,329 3.152,330 4.077,331 0.933,332 10.882,333 3.023,334 3.927,335 3.179,336 6.075,337 3.765,338 2.823,339 3.257,340 0.8,341 8.773,342 2.653,343 3.825,344 3.029,345 5.933,346 3.533,347 2.553,348 3.075,349 0.8,350 8.101,351 2.496,352 3.696,353 2.675,354 5.729,355 3.391,356 2.449,357 2.839,358 0.51,359 7.694,360 2.308,361 3.367,362 2.46,363 5.051,364 3.013,365 2.047,366 2.641,368 5.756,369 1.973,370 3.252,371 2.257,372 4.972,373 2.903,374 1.902,375 2.448,377 5.564,378 1.894,379 3.032,380 2.125,381 4.583,382 2.599,383 1.641,384 2.255,386 4.562,387 1.575,388 2.916,389 1.699,390 4.36,391 2.536,392 1.579,393 2.075,395 4.096,396 1.508,397 2.788,398 1.609,399 4.215,400 2.469,401 1.502,402 1.857,404 3.833,405 1.44,406 2.56,407 1.474,408 4.015,409 2.382,410 1.404,411 1.561,413 3.416,414 1.369,415 2.392,416 1.455,417 3.657,418 2.234,419 1.267,420 1.384,422 2.841,423 1.216,424 2.254,425 1.238,426 3.456,427 1.968,428 1.006,429 1.181,431 2.322,432 0.962,433 2.081,434 1.117,435 3.359,436 1.782,437 0.806,438 1.028,440 1.949,441 0.785,442 1.648,443 0.867,444 2.92,445 1.287,446 0.314,447 0.369,449 0.739,450 0.302,451 15.767,452 0.478,453 0.836,454 0.025,455 41,456 1.242,457 19,458 0.576,459 22,460 0.667,461 32.439,462 0.983,463 35.833,464 0.551,465 30.153,466 0.914,467 7.856,468 0.238,469 8.152,470 0.247,471 0.116,473 0.362,479 0.785,480 1.481,481 0.842,482 1.196,483 0.606,484 1.05,485 1.128,486 1.12,487 0.902,488 0.905,489 0.634,490 0.868,491 1.074,492 0.987,493 1.033,494 0.951,495 0.891,496 0.967,497 1.032,498 1.105,499 1.138,500 1.16,501 0.932,502 1.165,503 0.839,504 1.027,505 1.034,506 1.07,507 0.664,508 1.079,509 0.663,510 1.011,511 0.965,512 1.025,513 0.643,514 1.028,515 0.789,516 0.87,517 0.932,518 0.906,519 0.84,520 0.926,521 1.037,522 1.101,523 1.084,524 1.11,525 0.905,526 1.106,527 6,528 0.186,529 4.667,530 2.5,531 2.138,532 1.007,533 0.808,534 0.464,535 0.287,536 0.262,537 17631,538 39602,539 2.131,540 49.2,541 2,542 22,546 3,547 5,550 1.747,551 2,552 3.717,553 -0.811,559 93.072,560 1.432,561 3.437,562 4.911,563 5.526,564 5.588,565 5.588,566 3.15,567 4.681,568 5.02,569 3.92,570 2069.68,571 8.757,572 31944.3,577 391.454,578 1.393,579 4.979,580 0.162,581 0.007,582 0.088,583 0.043,584 0.043,585 0.023,586 0.022,587 0.013,588 0.009,589 0.009,590 0.419,591 0.5,592 0.88,593 0.522,594 177.604,595 0.029,596 -0.271,597 0.086,598 -0.102,599 -0.01,600 -0.02,601 -0.024,602 0.024,603 0.086,604 0.085,605 0.047,606 0.099,607 0.046,608 0.118,609 -0.041,610 0.029,611 0.079,612 -0.003,613 -0.091,614 -0.093,615 -0.171,616 -0.143,617 -0.055,618 -0.165,619 -0.051,620 -0.085,621 -0.07,622 -0.07,623 -0.019,624 -0.074,625 0.043,626 -0.076,627 0.002,628 -0.049,629 0.005,630 -0.032,631 0.02,632 0.082,633 0.049,634 0.052,635 -0.036,636 0.054,637 -0.08,638 -0.128,639 -0.105,640 -0.121,641 -0.105,642 -0.117,643 1.663,644 4.928,645 0.788,646 34.452,647 0.991,648 1.127,649 2.823,650 7.967,651 0.655,652 3.638,653 3.989,654 4.304,655 4.575,656 4.836,657 4.89,658 5.004,659 5.094,660 5.187,661 5.187,662 8.133,663 0.614,664 444.63,665 3.638,666 5.198,667 6.071,668 6.961,669 7.847,670 8.74,671 9.629,672 10.523,673 11.414,674 12.308,675 6.2,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 65,716 18,717 2,718 37,720 69,721 27,722 15,723 6,724 6,730 5,731 7,736 2,740 1,743 3,745 16,746 11,750 1,755 1,759 1,764 32,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 3,827 33,833 7,835 1,837 1,838 3,847 3.1,850 1,852 1,854 16.5,855 12.633,856 7.139,857 4.139,858 3.513,859 1.415,860 0.994,861 6.266,862 11.973,863 3.861,864 4.454,865 5.042,866 5.609,867 6.168,868 6.405,869 6.722,870 7.025,871 7.295,872 7.17,873 1,874 58,875 12.252,877 5.215,878 7.52,879 24.168,881 20.421,883 2.02,884 66.667,888 376.675,889 146.062,890 26.158,892 36.145,895 146.062,896 412.82,897 26.158,898 26.047,899 21.209,900 75.81,901 46.635,902 38.665,904 376.675,906 376.675,907 172.22,908 36.145,911 317.82,912 95,915 46.884,916 108.551,917 16.786,919 376.675,920 62.303,921 146.062,924 376.675,925 44.205,926 111.23,928 52.93,929 376.675,930 62.303,931 146.062,933 0.59,934 0.357,935 0.194,936 0.108,937 27,938 12,939 0.072,940 5,941 2,942 1.154,943 4.443,944 310.991,945 0.154,946 26,947 164.465,951 22.183,952 9.321,953 4.445,954 2.31,955 62.303,956 16.862,957 4.705,961 5.291,964 585.041,965 46.5,970 11.928,974 0.003,975 64.432,976 73.225,977 0.238,978 0.571,979 0.815,980 0.918,981 0.928,982 0.928,983 5.125,984 1.641,985 6.066,986 5.564,987 4.673,988 5.142,989 2.506,990 6.907,991 4.594,992 6.321,993 1.579,994 7.646,995 4.562,996 4.29,997 4.977,998 1.803,999 7.865,1000 4.165,1001 7.631,1002 1.502,1003 9.328,1004 4.096,1005 6.297,1006 7.327,1007 3.344,1008 10.987,1009 6.133,1010 8.976,1011 1.404,1012 11.068,1013 3.833,1014 6.735,1015 8.004,1016 3.307,1017 12.772,1018 6.52,1019 10.354,1020 1.267,1021 12.846,1022 3.416,1023 8.211,1024 9.853,1025 4.562,1026 15.415,1027 7.961,1028 11.756,1029 1.006,1030 14.651,1031 2.841,1032 9.028,1033 10.937,1034 4.855,1035 17.538,1036 8.728,1037 13.178,1038 0.806,1039 16.473,1040 2.322,1041 10.295,1042 12.579,1043 5.901,1044 20.016,1045 9.959,1046 3.169,1047 0.314,1048 18.31,1049 1.949,1050 11.286,1051 13.865,1052 6.37,1053 22.284,1054 10.904,1055 3.152,1056 10.929,1057 20.158,1058 0.739,1059 12.47,1060 15.416,1061 7.287,1062 24.702,1063 12.052,1064 2.823,1065 10.882,1066 22.014,1067 4.474,1068 13.541,1069 16.801,1070 7.856,1071 27.034,1072 13.079,1073 2.553,1074 8.773,1075 23.876,1076 4.077,1077 14.694,1078 18.312,1079 8.696,1080 29.431,1081 14.195,1082 2.449,1083 8.101,1084 25.745,1085 3.257,1086 15.802,1087 19.747,1088 9.324,1089 31.793,1090 15.261,1091 2.047,1092 7.694,1093 27.618,1094 3.075,1095 16.945,1096 21.241,1097 10.117,1098 34.182,1099 16.366,1100 1.902,1101 5.756,1102 29.496,1103 2.839,1104 18.071,1105 22.7,1106 10.781,1107 36.557,1108 17.452,1109 16265,1110 24532,1111 24.967,1112 42.591,1113 55.98,1114 57.173,1115 57.592,1116 55.641,1117 55.606,1118 69.464,1119 10.197,1120 163.763,1121 53.468,1122 5.553,1123 5.8,1124 6.316,1125 5.233,1126 5.169,1127 7.474,1128 3.661,1129 18.276,1130 5.052,1131 15.717,1132 1.513,1133 1.545,1134 1.557,1135 1.504,1136 1.503,1137 1.877,1138 0.276,1139 4.426,1140 1.445,1141 4.099,1142 4.133,1143 4.056,1144 4.017,1145 7.427,1146 4.023,1147 3.993,1148 4.018,1149 3.946,1150 3.898,1151 4.984,1152 3.904,1153 3.83,1154 3.895,1155 3.725,1156 3.654,1157 4.829,1158 3.662,1159 3.589,1160 3.643,1161 3.49,1162 3.432,1163 4.453,1164 3.43,1165 3.518,1166 3.568,1167 3.418,1168 3.383,1169 4.322,1170 3.389,1171 3.418,1172 3.478,1173 3.267,1174 3.265,1175 4.291,1176 3.263,1177 3.271,1178 3.361,1179 3.065,1180 3.103,1181 4.046,1182 3.08,1183 3.156,1184 3.237,1185 2.987,1186 2.963,1187 3.975,1188 2.955,1189 0.123,1190 0.103,1191 0.182,1192 0.111,1193 0.086,1194 4.553,1195 0.121,1196 3.8,1197 0.056,1198 6.743,1199 0.295,1200 4.125,1201 0.082,1202 3.169,1203 4.474,1204 2.055,1205 10.929,1206 3.052,1207 2.048,1208 2.022,1209 2.13,1210 2.149,1211 1.388,1212 2.146,1213 1.947,1214 1.923,1215 2.06,1216 2.07,1217 1.278,1218 2.065,1219 1.791,1220 1.726,1221 1.977,1222 1.988,1223 1.188,1224 1.988,1225 1.557,1226 1.502,1227 1.79,1228 1.76,1229 1.024,1230 1.772,1231 1.51,1232 1.46,1233 1.732,1234 1.665,1235 0.901,1236 1.688,1237 1.409,1238 1.355,1239 1.654,1240 1.6,1241 0.81,1242 1.624,1243 1.301,1244 1.216,1245 1.631,1246 1.518,1247 0.766,1248 1.564,1249 1.13,1250 1.054,1251 1.48,1252 1.421,1253 0.604,1254 1.444,1255 4.317,1257 5.659,1259 7.21,1261 8.858,1263 10.555,1265 6.192,1271 6.299,1273 5.79,1275 0.483,1276 6.804,1280 39.89,1281 93.072,1282 223.415,1283 319.189,1284 359.189,1285 363.189,1286 363.189,1287 49.316,1288 8.46,1289 48.91,1290 48.91,1291 30,1292 12.835,1293 4.248,1294 3.392,1295 48.209,1296 165,1297 143,1298 0.141,1299 241.62,1300 418.98,1301 581.312,1302 68942,1304 22.949,1305 0.695,1306 0.599,1307 22.949,1308 19.751,1309 16.008,1310 0.433,1311 0.321,1312 11.726,1313 15.45,1314 11.347,1315 9.391,1316 16.008,1317 11.877,1318 14.611,1319 0.276,1320 0.174,1321 14.611,1322 9.238,1323 12.905,1324 0.177,1325 0.096,1326 12.905,1327 6.997,1328 10.788,1329 0.112,1330 0.053,1331 10.788,1332 5.099,1333 9.053,1334 0.072,1335 0.029,1336 9.053,1337 3.68,1338 0.229,1339 99.714,1340 0.2,1341 31.074,1342 0.369,1343 180,1344 450.052,1345 195.055,1346 435.224,1347 611.13,1348 412,1349 216,1350 462.359,1351 233.247,1352 468.647,1353 691.73,1354 442,1355 9.2} {0 CHEMBL469567,1 1.432,2 13.485,3 4.259,4 18.137,5 131.616,6 6.84,7 0.459,8 4.261,9 4.388,10 3.773,11 3.794,12 5.243,13 3.759,14 4.849,15 5.046,16 4.152,17 4.201,18 5.766,19 4.152,20 5.122,21 5.34,22 4.269,23 4.408,24 6.053,25 4.331,26 5.22,27 5.444,28 4.221,29 4.483,30 6.087,31 4.363,32 5.307,33 5.552,34 4.111,35 4.476,36 6.155,37 4.327,38 5.264,39 5.545,40 3.943,41 4.349,42 6.006,43 4.177,44 5.074,45 5.346,46 3.78,47 4.165,48 5.827,49 4.003,50 4.959,51 5.237,52 3.672,53 4.055,54 5.68,55 3.887,56 0.041,57 0.956,58 14.759,59 6.085,60 8.341,61 8.493,62 0.277,63 1.606,64 28.493,65 9.731,66 22.846,67 14.247,68 0.552,69 2.025,70 38.26,71 12.807,72 47.067,73 18.731,74 0.308,75 2.124,76 41.679,77 16.319,78 40.508,79 22.988,80 0.482,81 2.217,82 46.595,83 17.152,84 59.154,85 24.462,86 0.432,87 2.077,88 45.322,89 16.13,90 46.121,91 23.646,92 0.398,93 1.739,94 37.461,95 12.871,96 40.873,97 18.927,98 0.42,99 1.54,100 33.435,101 11.615,102 34.205,103 17.213,104 18,105 53,106 0.227,107 0.532,108 0.733,109 0.829,110 0.839,111 0.839,112 3.532,113 0.966,114 -4.05,115 -4,116 -3.79,119 41.5,120 3,121 1,125 6,127 1,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 11,178 9,181 3,182 10,189 6,192 1,193 10,199 8,202 1,203 8,211 6,214 1,215 7,222 5,225 1,226 3,233 2,236 2,237 3,244 4,248 1,249 3,256 6,259 1780,260 22.43,261 22.43,262 22.43,263 22.43,264 22.43,265 20.286,266 29.26,267 13.017,268 22.912,269 18.248,270 18.248,271 18.248,272 18.248,273 18.248,274 14.922,275 39.747,276 6.115,277 19.029,278 4.59,279 2.672,280 1.407,281 0.804,282 0.743,283 0.743,284 4.242,289 1,290 983,291 3.24,295 446.524,299 299.331,302 2.048,303 22.91,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70,315 445,316 4.551,317 3.842,318 6.901,319 4.187,320 3.236,321 4.474,322 2.055,323 11.513,324 3.074,325 4.496,326 3.281,327 6.695,328 4.108,329 3.139,330 4.088,331 0.933,332 10.856,333 3.046,334 3.919,335 3.183,336 6.164,337 3.663,338 2.699,339 3.249,340 0.8,341 8.887,342 2.605,343 3.854,344 2.877,345 5.807,346 3.566,347 2.622,348 3.159,349 0.8,350 8.001,351 2.463,352 3.531,353 2.687,354 5.335,355 3.301,356 2.365,357 2.735,358 0.51,359 6.895,360 2.216,361 3.344,362 2.623,363 5.059,364 3.008,365 2.044,366 2.522,368 5.746,369 1.967,370 3.238,371 2.262,372 4.959,373 2.916,374 1.923,375 2.41,377 5.554,378 1.897,379 3.033,380 2.122,381 4.71,382 2.795,383 1.815,384 2.243,386 4.804,387 1.775,388 2.99,389 1.843,390 4.559,391 2.573,392 1.596,393 2.093,395 4.487,396 1.558,397 2.893,398 1.65,399 4.171,400 2.455,401 1.491,402 1.984,404 3.622,405 1.429,406 2.772,407 1.476,408 4.035,409 2.397,410 1.417,411 1.838,413 3.463,414 1.385,415 2.267,416 1.293,417 3.509,418 1.985,419 1.044,420 1.194,422 2.411,423 0.974,424 2.128,425 1.146,426 3.414,427 1.967,428 1,429 1.084,431 2.275,432 0.965,433 2,434 1.05,435 3.37,436 1.81,437 0.84,438 1,440 2.004,441 0.812,442 1.726,443 0.884,444 3.199,445 1.545,446 0.585,447 0.651,449 1.41,450 0.559,451 15.767,452 0.478,453 0.836,454 0.025,455 41,456 1.242,457 19,458 0.576,459 22,460 0.667,461 32.498,462 0.985,463 35.833,464 0.551,465 30.357,466 0.92,467 7.826,468 0.237,469 8.182,470 0.248,471 0.116,473 0.362,479 0.785,480 1.481,481 0.842,482 1.196,483 0.613,484 1.05,485 1.117,486 1.16,487 0.896,488 0.926,489 0.63,490 0.88,491 1.142,492 0.918,493 1.039,494 0.889,495 0.941,496 0.924,497 0.925,498 1.125,499 1.029,500 1.157,501 0.84,502 1.119,503 1.151,504 1.073,505 1.147,506 1.118,507 1.367,508 1.138,509 0.949,510 0.996,511 1.019,512 1.022,513 0.745,514 1.03,515 1.117,516 1.01,517 1.1,518 1.025,519 1.01,520 1.055,521 0.914,522 0.974,523 1.023,524 0.97,525 0.786,526 1.006,527 6,528 0.157,529 4.222,530 2.563,531 2.107,532 1.187,533 0.704,534 0.375,535 0.299,536 0.249,537 17231,538 37918,539 2.131,540 49.2,542 21,546 3,547 8,550 1.747,551 2,552 3.669,553 -0.811,559 93.072,560 1.432,561 3.351,562 4.615,563 5.218,564 5.28,565 5.28,566 3.066,567 4.802,568 5.021,569 3.886,570 2051.66,571 8.759,572 31496.5,577 391.454,578 1.393,579 4.979,580 0.162,581 0.006,582 0.08,583 0.044,584 0.039,585 0.026,586 0.019,587 0.012,588 0.01,589 0.009,590 0.406,591 0.5,592 0.88,593 0.675,594 177.143,595 0.029,596 -0.271,597 0.086,598 -0.102,599 -0.017,600 -0.02,601 -0.012,602 -0.017,603 0.092,604 0.064,605 0.052,606 0.087,607 0.018,608 0.194,609 -0.04,610 0.078,611 0.032,612 0.031,613 -0.017,614 -0.12,615 -0.068,616 -0.126,617 0.042,618 -0.108,619 -0.09,620 -0.105,621 -0.163,622 -0.12,623 -0.135,624 -0.148,625 -0.033,626 -0.062,627 -0.035,628 -0.051,629 -0.036,630 -0.046,631 -0.092,632 -0.048,633 -0.104,634 -0.068,635 -0.125,636 -0.086,637 0.036,638 -0.026,639 -0.034,640 -0.008,641 -0.023,642 -0.029,643 1.635,644 5.345,645 0.788,646 33.271,647 0.991,648 1.127,649 2.823,650 7.967,651 0.655,652 3.638,653 3.989,654 4.304,655 4.605,656 4.86,657 4.92,658 5.037,659 5.153,660 5.236,661 5.263,662 8.009,663 0.614,664 444.63,665 3.638,666 5.198,667 6.071,668 6.967,669 7.854,670 8.753,671 9.644,672 10.544,673 11.437,674 12.337,675 6.2,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 65,716 18,717 2,718 37,720 69,721 27,722 15,723 6,724 6,730 5,731 7,736 3,743 2,745 16,746 11,750 1,755 1,759 1,764 32,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 3,827 33,833 7,835 1,837 1,838 3,847 3.1,850 1,852 1,854 16.5,855 12.633,856 7.139,857 4.206,858 3.572,859 1.418,860 0.994,861 6.266,862 12.124,863 3.861,864 4.454,865 5.042,866 5.634,867 6.187,868 6.431,869 6.748,870 7.066,871 7.312,872 7.205,873 0.889,874 58,875 12.265,877 5.227,878 7.52,879 24.168,881 20.404,883 2.02,884 66.667,888 376.675,889 146.062,890 26.158,892 36.145,895 146.062,896 412.82,897 26.158,898 26.476,899 20.78,900 75.81,901 46.635,902 38.665,904 376.675,906 376.675,907 172.22,908 36.145,911 282.506,912 130.314,915 55.281,916 100.154,917 16.786,919 376.675,920 62.303,921 146.062,924 376.675,925 43.776,926 111.659,928 52.93,929 376.675,930 62.303,931 146.062,933 0.588,934 0.353,935 0.201,936 0.111,937 27,938 12,939 0.072,940 5,941 2,942 1.154,943 4.409,944 313.53,945 0.154,946 26,947 158.465,951 22.183,952 9.321,953 4.445,954 2.298,955 62.303,956 16.883,957 4.692,961 5.302,964 585.041,965 46.5,970 12.345,974 0.032,975 64.432,976 73.225,977 0.238,978 0.556,979 0.766,980 0.866,981 0.877,982 0.877,983 5.125,984 1.815,985 6.066,986 5.554,987 4.673,988 5.142,989 2.506,990 6.913,991 4.591,992 6.321,993 1.596,994 7.646,995 4.804,996 4.29,997 4.977,998 1.803,999 7.899,1000 4.165,1001 7.631,1002 1.491,1003 9.329,1004 4.487,1005 6.297,1006 7.327,1007 3.344,1008 11.027,1009 6.128,1010 8.976,1011 1.417,1012 11.072,1013 3.622,1014 6.735,1015 8.004,1016 3.307,1017 12.863,1018 6.517,1019 10.355,1020 1.044,1021 12.856,1022 3.463,1023 8.216,1024 9.855,1025 4.562,1026 15.518,1027 7.96,1028 11.758,1029 1,1030 14.669,1031 2.411,1032 9.038,1033 10.941,1034 4.855,1035 17.698,1036 8.734,1037 13.182,1038 0.84,1039 16.502,1040 2.275,1041 10.312,1042 12.584,1043 5.901,1044 20.196,1045 9.97,1046 3.236,1047 0.585,1048 18.351,1049 2.004,1050 11.313,1051 13.872,1052 6.37,1053 22.516,1054 10.926,1055 3.139,1056 11.513,1057 20.213,1058 1.41,1059 12.506,1060 15.423,1061 7.287,1062 24.961,1063 12.08,1064 2.699,1065 10.856,1066 22.084,1067 4.474,1068 13.59,1069 16.81,1070 7.856,1071 27.34,1072 13.12,1073 2.622,1074 8.887,1075 23.963,1076 4.088,1077 14.754,1078 18.32,1079 8.696,1080 29.769,1081 14.244,1082 2.365,1083 8.001,1084 25.849,1085 3.249,1086 15.877,1087 19.755,1088 9.324,1089 32.173,1090 15.322,1091 2.044,1092 6.895,1093 27.74,1094 3.159,1095 17.033,1096 21.249,1097 10.117,1098 34.598,1099 16.437,1100 1.923,1101 5.746,1102 29.636,1103 2.735,1104 18.173,1105 22.708,1106 10.781,1107 37.014,1108 17.534,1109 15973,1110 23830,1111 24.967,1112 42.591,1113 55.978,1114 57.326,1115 57.827,1116 55.608,1117 55.63,1118 69.448,1119 10.197,1120 163.855,1121 53.446,1122 5.551,1123 5.842,1124 6.429,1125 5.296,1126 5.236,1127 7.474,1128 3.661,1129 18.927,1130 5.074,1131 15.874,1132 1.513,1133 1.549,1134 1.563,1135 1.503,1136 1.504,1137 1.877,1138 0.276,1139 4.429,1140 1.444,1141 4.098,1142 4.132,1143 4.055,1144 4.017,1145 7.427,1146 4.022,1147 4,1148 4.026,1149 3.954,1150 3.901,1151 4.984,1152 3.909,1153 3.793,1154 3.863,1155 3.685,1156 3.601,1157 4.828,1158 3.612,1159 3.639,1160 3.697,1161 3.529,1162 3.486,1163 4.441,1164 3.486,1165 3.515,1166 3.569,1167 3.409,1168 3.412,1169 4.305,1170 3.404,1171 3.406,1172 3.454,1173 3.255,1174 3.204,1175 4.274,1176 3.207,1177 3.323,1178 3.389,1179 3.172,1180 3.164,1181 4.205,1182 3.161,1183 3.111,1184 3.206,1185 2.942,1186 2.952,1187 3.971,1188 2.938,1189 0.123,1190 0.104,1191 0.187,1192 0.113,1193 0.087,1194 4.551,1195 0.121,1196 3.842,1197 0.056,1198 6.901,1199 0.311,1200 4.187,1201 0.083,1202 3.236,1203 4.474,1204 2.055,1205 11.513,1206 3.074,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.95,1214 1.926,1215 2.057,1216 2.078,1217 1.256,1218 2.07,1219 1.749,1220 1.68,1221 1.951,1222 1.963,1223 1.178,1224 1.963,1225 1.627,1226 1.565,1227 1.876,1228 1.806,1229 1.089,1230 1.832,1231 1.521,1232 1.472,1233 1.733,1234 1.666,1235 0.869,1236 1.691,1237 1.366,1238 1.312,1239 1.631,1240 1.601,1241 0.825,1242 1.608,1243 1.314,1244 1.259,1245 1.551,1246 1.517,1247 0.803,1248 1.54,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.703,1254 1.429,1255 4.317,1257 5.659,1259 7.21,1261 8.859,1263 10.559,1265 6.136,1271 6.1,1273 5.887,1275 0.122,1276 6.87,1280 39.89,1281 93.072,1282 217.805,1283 299.97,1284 339.189,1285 343.189,1286 343.189,1287 50.027,1288 8.553,1289 48.91,1290 48.91,1291 30,1292 12.86,1293 4.248,1294 3.392,1295 48.194,1296 164,1297 145,1298 0.144,1299 241.62,1300 418.98,1301 581.312,1302 75578,1304 22.949,1305 0.695,1306 0.599,1307 22.949,1308 19.751,1309 16.008,1310 0.433,1311 0.322,1312 11.768,1313 15.45,1314 11.392,1315 9.421,1316 16.008,1317 11.915,1318 14.69,1319 0.277,1320 0.175,1321 14.69,1322 9.287,1323 12.553,1324 0.172,1325 0.092,1326 12.553,1327 6.719,1328 11.088,1329 0.112,1330 0.051,1331 11.088,1332 5.036,1333 9.174,1334 0.072,1335 0.028,1336 9.174,1337 3.565,1338 0.232,1339 99.629,1340 0.2,1341 30.96,1342 0.378,1343 180,1344 450.052,1345 195.388,1346 434.952,1347 612.07,1348 412,1349 216,1350 464.711,1351 233.247,1352 469.394,1353 695.52,1354 444,1355 9.6} {0 CHEMBL469568,1 1.444,2 13.485,3 4.022,4 16.177,5 129.66,6 7.026,7 0.447,8 4.248,9 4.37,10 3.792,11 3.799,12 5.216,13 3.77,14 4.828,15 5.017,16 4.139,17 4.189,18 5.742,19 4.14,20 5.085,21 5.304,22 4.26,23 4.377,24 6.011,25 4.306,26 5.154,27 5.363,28 4.215,29 4.451,30 6.022,31 4.342,32 5.265,33 5.512,34 4.099,35 4.446,36 6.079,37 4.3,38 5.203,39 5.478,40 3.932,41 4.313,42 5.942,43 4.148,44 5.038,45 5.309,46 3.772,47 4.137,48 5.786,49 3.981,50 4.907,51 5.176,52 3.666,53 4.026,54 5.634,55 3.868,56 0.033,57 0.939,58 13.955,59 5.921,60 6.705,61 8.097,62 0.262,63 1.582,64 27.194,65 9.486,66 20.457,67 13.574,68 0.535,69 1.957,70 36.437,71 12.386,72 45.335,73 17.781,74 0.277,75 2.025,76 38.237,77 15.269,78 32.114,79 21.117,80 0.446,81 2.158,82 44.508,83 16.621,84 48.979,85 23.527,86 0.383,87 2.007,88 42.509,89 15.416,90 40.903,91 22.405,92 0.393,93 1.707,94 36.263,95 12.535,96 38.404,97 18.183,98 0.406,99 1.497,100 31.694,101 11.135,102 31.201,103 16.25,104 5,105 55,106 0.23,107 0.543,108 0.74,109 0.839,110 0.849,111 0.849,112 3.532,113 0.953,114 -4.05,115 -4,116 -3.79,119 42.9,120 1,121 3,125 6,127 1,140 8,141 2,142 3,144 2,156 1,169 9,171 1,172 11,178 8,181 3,182 10,189 6,192 1,193 10,199 8,202 1,203 8,211 6,214 1,215 7,222 5,225 1,226 3,233 2,236 2,237 3,244 4,248 1,249 3,256 6,259 1778,260 22.878,261 22.878,262 22.878,263 22.878,264 22.878,265 20.733,266 29.26,267 13.254,268 23.342,269 18.768,270 18.768,271 18.768,272 18.768,273 18.768,274 15.442,275 39.747,276 6.263,277 19.536,278 4.533,279 2.567,280 1.333,281 0.71,282 0.647,283 0.647,284 4.248,288 1,289 1,290 1017,291 2.828,292 47.312,295 444.062,299 297.466,302 2.048,303 23.117,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70,315 445,316 4.551,317 3.854,318 6.944,319 4.227,320 3.275,321 4.474,322 2.055,323 11.716,324 3.113,325 4.51,326 3.281,327 6.695,328 4.108,329 3.139,330 4.09,331 0.933,332 10.856,333 3.046,334 3.984,335 3.183,336 6.237,337 3.752,338 2.78,339 3.249,340 0.8,341 9.229,342 2.701,343 3.855,344 2.885,345 5.807,346 3.576,347 2.639,348 3.206,349 0.8,350 8.001,351 2.468,352 3.534,353 2.838,354 5.35,355 3.317,356 2.377,357 2.735,358 0.51,359 6.916,360 2.246,361 3.394,362 2.641,363 5.255,364 3.207,365 2.209,366 2.524,368 6.381,369 2.185,370 3.344,371 2.27,372 5.025,373 3.007,374 2.041,375 2.45,377 5.738,378 1.967,379 3.209,380 2.18,381 4.959,382 2.86,383 1.868,384 2.394,386 5.51,387 1.844,388 3.027,389 2.028,390 4.56,391 2.576,392 1.601,393 2.241,395 4.495,396 1.56,397 2.911,398 1.651,399 4.322,400 2.478,401 1.532,402 2.071,404 3.955,405 1.441,406 2.775,407 1.477,408 4.035,409 2.398,410 1.417,411 1.842,413 3.464,414 1.386,415 2.294,416 1.337,417 3.69,418 2.089,419 1.147,420 1.266,422 2.695,423 1.071,424 2.222,425 1.174,426 3.414,427 1.967,428 1,429 1.147,431 2.275,432 0.965,433 2,434 1.146,435 3.377,436 1.824,437 0.849,438 1,440 2.026,441 0.826,442 1.76,443 0.906,444 3.261,445 1.581,446 0.612,447 0.685,449 1.505,450 0.591,451 15.767,452 0.478,453 0.76,454 0.023,455 41.5,456 1.258,457 19,458 0.576,459 22.5,460 0.682,461 30.961,462 0.938,463 35.233,464 0.559,465 29.737,466 0.901,467 7.801,468 0.236,469 8.369,470 0.254,471 0.053,473 0.362,479 0.774,480 1.43,481 0.803,482 1.146,483 0.559,484 1.002,485 1.126,486 1.202,487 0.948,488 0.98,489 0.638,490 0.937,491 1.108,492 0.868,493 0.981,494 0.834,495 0.932,496 0.865,497 0.968,498 1.152,499 1.066,500 1.189,501 0.925,502 1.154,503 1.054,504 1.047,505 1.106,506 1.093,507 1.153,508 1.11,509 0.866,510 1.008,511 1.013,512 1.037,513 0.725,514 1.042,515 1.131,516 0.989,517 1.097,518 1.006,519 1.006,520 1.041,521 0.945,522 0.991,523 1.058,524 0.992,525 0.808,526 1.034,527 5.5,528 0.131,529 3.833,530 2.118,531 2.037,532 0.996,533 0.623,534 0.353,535 0.268,536 0.219,537 18471,538 39724,539 2.222,540 47.6,542 21,546 3,547 6,550 1.747,551 2.129,552 3.669,553 -0.811,559 90.98,560 1.444,561 3.41,562 4.644,563 5.267,564 5.33,565 5.33,566 3.066,567 4.802,568 5.021,569 3.887,570 2052.14,571 8.758,572 31485.3,574 1,577 376.569,578 1.234,579 4.997,580 0.145,581 0.005,582 0.074,583 0.037,584 0.038,585 0.022,586 0.016,587 0.011,588 0.009,589 0.008,590 0.364,591 0.5,592 0.88,593 0.398,594 177.136,595 0.024,596 -0.249,597 0.094,598 -0.084,599 0.017,600 -0.005,601 -0.034,602 -0.067,603 0.02,604 -0.006,605 0.037,606 0.012,607 0.035,608 0.223,609 0.009,610 0.124,611 0.052,612 0.081,613 -0.037,614 -0.144,615 -0.113,616 -0.164,617 -0.019,618 -0.152,619 -0.063,620 -0.088,621 -0.126,622 -0.098,623 -0.103,624 -0.118,625 -0.015,626 -0.068,627 -0.027,628 -0.061,629 -0.03,630 -0.049,631 -0.096,632 -0.03,633 -0.094,634 -0.048,635 -0.116,636 -0.069,637 0.024,638 -0.035,639 -0.062,640 -0.025,641 -0.034,642 -0.054,643 1.572,644 5.385,645 0.879,646 33.208,647 0.993,648 1.124,649 2.823,650 7.967,651 0.664,652 3.664,653 4.025,654 4.331,655 4.644,656 4.92,657 4.977,658 5.1,659 5.22,660 5.318,661 5.333,662 8.009,663 0.625,664 442.61,665 3.664,666 5.231,667 6.116,668 7.018,669 7.916,670 8.822,671 9.724,672 10.631,673 11.535,674 12.443,675 6.3,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 63,716 18,717 2,718 38,720 68,721 27,722 15,723 6,724 6,730 6,731 8,736 1,740 3,743 4,745 16,746 11,750 1,755 1,759 1,764 30,765 6,767 6,773 4,777 0.667,778 2,786 1,790 1,793 5,797 2,806 1,815 1,819 4,823 1,827 33,833 9,835 1,837 1,838 3,847 3.2,850 1,852 1,854 15.5,855 11.633,856 7.056,857 4.122,858 3.578,859 1.412,860 1.026,861 5.473,862 12.267,863 3.882,864 4.477,865 5.055,866 5.649,867 6.211,868 6.454,869 6.775,870 7.095,871 7.353,872 7.242,873 0.889,874 58,875 12.289,877 5.373,878 7.49,879 24.386,881 21.26,883 1.99,884 65.667,887 1,888 353.133,889 133.481,890 26.158,892 36.145,895 133.481,896 389.278,897 26.158,898 8.825,899 25.849,900 75.81,901 46.635,902 38.665,904 353.133,906 353.133,907 159.639,908 36.145,911 282.506,912 106.771,915 42.699,916 100.154,917 16.786,919 353.133,920 62.303,921 133.481,924 353.133,925 48.845,926 94.008,928 52.93,929 353.133,930 62.303,931 133.481,933 0.589,934 0.344,935 0.197,936 0.111,937 30,938 12,939 0.074,940 5,941 2,942 1.138,943 4.548,944 320.75,945 0.138,946 29,947 158.465,951 20.946,952 8.623,953 4.203,954 2.307,955 62.303,956 16.993,957 4.696,961 5.441,964 548.917,965 47.5,970 12.385,974 0.095,975 62.549,976 70.81,977 0.242,978 0.571,979 0.777,980 0.881,981 0.892,982 0.892,983 5.155,984 1.868,985 6.107,986 5.738,987 4.71,988 5.165,989 2.506,990 6.961,991 4.631,992 6.355,993 1.601,994 7.69,995 5.51,996 4.369,997 5.017,998 1.803,999 7.98,1000 4.254,1001 7.67,1002 1.532,1003 9.376,1004 4.495,1005 6.354,1006 7.348,1007 3.344,1008 11.094,1009 6.192,1010 9.017,1011 1.417,1012 11.122,1013 3.955,1014 6.815,1015 8.027,1016 3.307,1017 12.945,1018 6.611,1019 10.397,1020 1.147,1021 12.909,1022 3.464,1023 8.289,1024 9.87,1025 4.562,1026 15.602,1027 8.043,1028 11.801,1029 1,1030 14.723,1031 2.695,1032 9.122,1033 10.954,1034 4.855,1035 17.793,1036 8.831,1037 13.224,1038 0.849,1039 16.558,1040 2.275,1041 10.396,1042 12.593,1043 5.901,1044 20.3,1045 10.064,1046 3.275,1047 0.612,1048 18.409,1049 2.026,1050 11.406,1051 13.88,1052 6.37,1053 22.633,1054 11.028,1055 3.139,1056 11.716,1057 20.273,1058 1.505,1059 12.602,1060 15.429,1061 7.287,1062 25.09,1063 12.183,1064 2.78,1065 10.856,1066 22.146,1067 4.474,1068 13.693,1069 16.815,1070 7.856,1071 27.482,1072 13.23,1073 2.639,1074 9.229,1075 24.028,1076 4.09,1077 14.862,1078 18.324,1079 8.696,1080 29.924,1081 14.357,1082 2.377,1083 8.001,1084 25.916,1085 3.249,1086 15.992,1087 19.759,1088 9.324,1089 32.342,1090 15.441,1091 2.209,1092 6.916,1093 27.811,1094 3.206,1095 17.154,1096 21.252,1097 10.117,1098 34.782,1099 16.56,1100 2.041,1101 6.381,1102 29.709,1103 2.735,1104 18.303,1105 22.711,1106 10.781,1107 37.213,1108 17.663,1109 16531,1110 24388,1111 26.353,1112 41.83,1113 57.84,1114 58.988,1115 59.173,1116 57.4,1117 57.385,1118 71.238,1119 10.197,1120 170.532,1121 55.213,1122 5.551,1123 5.854,1124 6.472,1125 5.336,1126 5.275,1127 7.474,1128 3.661,1129 19.19,1130 5.113,1131 11.293,1132 1.522,1133 1.552,1134 1.557,1135 1.511,1136 1.51,1137 1.875,1138 0.268,1139 4.488,1140 1.453,1141 4.101,1142 4.136,1143 4.057,1144 4.018,1145 7.427,1146 4.023,1147 4.026,1148 4.058,1149 3.976,1150 3.922,1151 4.984,1152 3.929,1153 3.83,1154 3.892,1155 3.719,1156 3.714,1157 4.829,1158 3.705,1159 3.762,1160 3.817,1161 3.654,1162 3.592,1163 4.441,1164 3.601,1165 3.521,1166 3.574,1167 3.418,1168 3.415,1169 4.306,1170 3.407,1171 3.461,1172 3.495,1173 3.364,1174 3.257,1175 4.275,1176 3.277,1177 3.323,1178 3.39,1179 3.174,1180 3.167,1181 4.256,1182 3.161,1183 3.111,1184 3.206,1185 2.944,1186 2.952,1187 3.971,1188 2.938,1189 0.12,1190 0.101,1191 0.183,1192 0.111,1193 0.086,1194 4.551,1195 0.118,1196 3.854,1197 0.054,1198 6.944,1199 0.308,1200 4.227,1201 0.082,1202 3.275,1203 4.474,1204 2.055,1205 11.716,1206 3.113,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.359,1212 2.144,1213 1.942,1214 1.919,1215 2.046,1216 2.063,1217 1.248,1218 2.056,1219 1.744,1220 1.676,1221 1.936,1222 1.955,1223 1.161,1224 1.953,1225 1.527,1226 1.479,1227 1.735,1228 1.705,1229 0.953,1230 1.708,1231 1.465,1232 1.424,1233 1.666,1234 1.649,1235 0.825,1236 1.664,1237 1.322,1238 1.26,1239 1.572,1240 1.517,1241 0.825,1242 1.543,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.81,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.765,1254 1.429,1255 4.344,1256 1.946,1257 5.694,1258 3.714,1259 7.255,1260 5.476,1261 8.913,1262 7.265,1263 10.62,1265 2.043,1271 8.419,1273 5.915,1275 0.372,1276 7,1280 39.364,1281 90.98,1282 214.851,1283 292.594,1284 331.814,1285 335.814,1286 335.814,1287 45.845,1288 8.688,1289 48.91,1290 48.91,1291 33,1292 12.96,1293 4.248,1294 3.392,1295 43.572,1296 164,1297 145,1298 0.129,1299 234.226,1300 406.62,1301 563.272,1302 89411,1304 22.363,1305 0.678,1306 0.581,1307 22.363,1308 19.165,1309 16.17,1310 0.426,1311 0.318,1312 11.93,1313 15.621,1314 11.666,1315 9.544,1316 16.17,1317 12.077,1318 14.783,1319 0.269,1320 0.171,1321 14.783,1322 9.424,1323 12.661,1324 0.169,1325 0.091,1326 12.661,1327 6.826,1328 11.136,1329 0.108,1330 0.05,1331 11.136,1332 5.128,1333 9.554,1334 0.07,1335 0.028,1336 9.554,1337 3.766,1338 0.209,1339 100.6,1340 0.195,1341 31.008,1342 0.339,1343 186,1344 456.052,1345 201.388,1346 440.15,1347 622.71,1348 418,1349 226,1350 474.711,1351 243.58,1352 478.343,1353 712.87,1354 454,1355 9.801} {0 CHEMBL469589,1 1.549,2 14.152,3 4.194,4 17.59,5 127.267,6 7.235,7 0.459,8 4.227,9 4.349,10 3.781,11 3.752,12 5.264,13 3.732,14 4.812,15 5.003,16 4.16,17 4.16,18 5.811,19 4.127,20 5.076,21 5.285,22 4.267,23 4.356,24 6.096,25 4.293,26 5.166,27 5.388,28 4.179,29 4.4,30 6.11,31 4.286,32 5.224,33 5.482,34 4.072,35 4.365,36 6.07,37 4.227,38 5.168,39 5.443,40 3.948,41 4.226,42 6.074,43 4.086,44 5.014,45 5.295,46 3.761,47 4.054,48 5.917,49 3.918,50 4.822,51 5.074,52 3.686,53 3.971,54 5.615,55 3.839,56 0.005,57 0.986,58 13.18,59 5.777,60 6.133,61 7.685,62 0.268,63 1.63,64 26.492,65 9.236,66 24.395,67 12.9,68 0.529,69 2.036,70 35.694,71 12.517,72 51.722,73 17.224,74 0.455,75 2.121,76 39.359,77 15.108,78 53.7,79 20.9,80 0.381,81 2.158,82 43.322,83 15.917,84 49.765,85 22.401,86 0.508,87 2.121,88 42.365,89 14.432,90 69.001,91 20.225,92 0.659,93 1.804,94 37.151,95 11.864,96 75.93,97 16.544,98 0.27,99 1.379,100 28.756,101 10.344,102 33.651,103 14.725,104 17,105 53,106 0.248,107 0.564,108 0.767,109 0.857,110 0.857,111 0.857,112 3.531,113 0.936,114 -4.22,115 -4.16,116 -3.93,119 41.9,120 1,121 2,124 1,125 6,140 7,141 2,142 4,144 2,156 1,169 7,171 1,172 9,178 9,181 3,182 8,189 6,192 1,193 9,199 6,203 7,211 1,214 1,215 6,222 1,225 2,226 5,233 2,237 1,244 3,248 2,249 3,256 5,259 1814,260 22.378,261 22.378,262 22.378,263 22.378,264 22.378,265 20.208,266 29.557,267 12.984,268 22.91,269 18.248,270 18.248,271 18.248,272 18.248,273 18.248,274 14.819,275 38.27,276 6.154,277 19.112,278 4.405,279 2.436,280 1.167,281 0.605,282 0.605,283 0.605,284 4.241,288 1,289 1,290 1035,291 3,295 458.877,299 307.328,302 2.077,303 31.522,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 71.5,315 467,316 4.581,317 3.8,318 6.743,319 4.137,320 3.17,321 4.509,322 2.055,323 10.948,324 3.068,325 4.464,326 3.328,327 6.715,328 4.124,329 3.168,330 4.077,331 0.933,332 10.929,333 3.023,334 3.86,335 3.179,336 5.933,337 3.59,338 2.654,339 3.282,340 0.8,341 8.103,342 2.506,343 3.825,344 2.923,345 5.817,346 3.531,347 2.552,348 3.075,349 0.8,350 8.042,351 2.465,352 3.62,353 2.705,354 5.329,355 3.323,356 2.383,357 2.953,358 0.51,359 6.897,360 2.238,361 3.464,362 2.643,363 5.05,364 3.141,365 2.208,366 2.644,368 6.049,369 2.05,370 3.296,371 2.456,372 5.027,373 2.922,374 1.957,375 2.489,377 5.641,378 1.893,379 3.243,380 2.206,381 4.954,382 2.887,383 1.894,384 2.431,386 5.558,387 1.852,388 2.916,389 2.119,390 4.556,391 2.541,392 1.601,393 2.075,395 4.486,396 1.507,397 2.885,398 1.643,399 4.354,400 2.489,401 1.541,402 1.974,404 4.071,405 1.449,406 2.46,407 1.473,408 3.734,409 2.271,410 1.295,411 1.453,413 2.874,414 1.255,415 2.33,416 1.24,417 3.656,418 2.002,419 1.042,420 1.285,422 2.548,423 0.993,424 2.093,425 1.162,426 3.429,427 1.967,428 1,429 1.048,431 2.275,432 0.965,433 2,434 1.146,435 3.414,436 1.858,437 0.893,438 1,440 2.2,441 0.858,442 1.646,443 1.029,444 2.898,445 1.26,446 0.287,447 0.348,449 0.657,450 0.274,451 15.552,452 0.471,453 0.853,454 0.026,455 41.25,456 1.25,457 19,458 0.576,459 22.25,460 0.674,461 30.959,462 0.938,463 36.048,464 0.581,465 31.251,466 0.947,467 8.081,468 0.245,469 7.911,470 0.24,471 0.104,473 0.367,477 1,479 0.675,480 1.335,481 0.769,482 1.184,483 0.52,484 1.027,485 0.936,486 1.035,487 0.859,488 0.894,489 0.546,490 0.852,491 0.984,492 0.953,493 1.019,494 0.955,495 0.877,496 0.972,497 0.755,498 0.977,499 1.036,500 1.165,501 0.701,502 1.164,503 0.804,504 1.027,505 0.98,506 1.078,507 0.661,508 1.07,509 1.064,510 1.153,511 1.054,512 1.054,513 1.14,514 1.052,515 1.281,516 0.907,517 1.14,518 0.883,519 1.48,520 0.96,521 0.804,522 0.948,523 0.999,524 1.066,525 0.609,526 1.073,527 6.5,528 0.157,529 4.222,530 2.375,531 2.218,532 1.146,533 0.724,534 0.417,535 0.221,536 0.236,537 17919,538 45406,539 2.131,540 46.8,541 2,542 22,546 3,547 2,550 1.746,551 2,552 3.715,553 -0.781,555 1,559 96.067,560 1.549,561 3.518,562 4.787,563 5.349,564 5.349,565 5.349,566 3.122,567 4.718,568 5.022,569 3.931,570 2075.76,571 8.752,572 32485.8,574 1,577 369.16,578 1.393,579 4.979,580 0.176,581 0.006,582 0.08,583 0.042,584 0.044,585 0.026,586 0.02,587 0.013,588 0.007,589 0.009,590 0.423,591 0.5,592 0.88,593 0.522,594 178.204,595 -0.002,596 -0.235,597 0.076,598 -0.106,599 -0.01,600 -0.022,601 -0.052,602 0.001,603 0.073,604 0.084,605 0.048,606 0.103,607 -0.014,608 0.086,609 -0.064,610 0.025,612 -0.012,613 0.048,614 -0.058,615 -0.1,616 -0.149,617 0.028,618 -0.158,619 -0.026,620 -0.138,621 -0.019,622 -0.082,623 0.011,624 -0.058,625 -0.041,626 -0.108,627 -0.04,628 -0.079,629 -0.047,630 -0.063,631 -0.09,632 0.199,633 -0.096,634 0.069,635 -0.165,636 0.003,637 -0.049,638 -0.125,639 -0.045,640 -0.083,641 -0.038,642 -0.07,643 1.904,644 6.245,645 0.788,646 34.092,647 1.001,648 1.131,649 2.99,650 8.942,651 0.658,652 3.638,653 3.989,654 4.29,655 4.575,656 4.852,657 4.913,658 4.997,659 5.106,660 5.147,661 5.159,662 8.291,663 0.625,664 448.59,665 3.638,666 5.198,667 6.066,668 6.957,669 7.84,670 8.735,671 9.623,672 10.519,673 11.409,674 12.305,675 6.5,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 62,716 18,717 2,718 37,720 66,721 26,722 15,723 7,724 5,730 5,731 7,736 1,743 2,745 16,746 10,750 1,755 1,759 1,761 1,762 1,764 29,765 7,767 7,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 2,825 1,827 33,833 8,835 1,838 3,846 1,847 3.2,850 1,852 1,854 16.5,855 11.86,856 7.111,857 3.902,858 3.548,859 1.418,860 1.006,861 6.222,862 12.041,863 3.861,864 4.466,865 5.051,866 5.639,867 6.217,868 6.483,869 6.769,870 7.1,871 7.31,872 7.204,873 1,874 57,875 12.289,877 5.309,878 7.697,879 23.832,881 20.103,883 2.197,884 72.5,887 1,888 341.362,889 138.987,890 26.158,892 36.145,893 14.96,895 138.987,896 377.507,897 41.119,898 17.222,899 23.314,900 66.334,901 46.635,902 47.786,903 14.96,904 341.362,906 341.362,907 165.146,908 51.105,911 332.78,912 59.687,915 40.165,916 108.196,917 16.786,919 356.322,920 62.303,921 138.987,924 341.362,925 55.432,926 92.928,928 67.89,929 341.362,930 77.263,931 138.987,933 0.589,934 0.351,935 0.193,936 0.111,937 27,938 12,939 0.076,940 5,941 2,942 1.154,943 4.464,944 309.322,945 0.154,946 26,947 162.465,951 22.121,952 9.282,953 4.551,954 1.723,955 77.263,956 13.196,957 4.507,961 4.435,964 557.613,965 46.5,970 11.89,974 -0.019,975 62.061,976 70.149,977 0.26,978 0.591,979 0.804,980 0.898,981 0.898,982 0.898,983 5.125,984 1.894,985 6.061,986 5.641,987 4.673,988 5.153,989 2.506,990 6.895,991 4.583,992 6.327,993 1.601,994 7.635,995 5.558,996 4.29,997 5.027,998 1.803,999 7.83,1000 4.146,1001 7.64,1002 1.541,1003 9.307,1004 4.486,1005 6.29,1006 7.355,1007 3.344,1008 10.953,1009 6.114,1010 8.987,1011 1.295,1012 11.038,1013 4.071,1014 6.711,1015 8.052,1016 3.307,1017 12.723,1018 6.484,1019 10.367,1020 1.042,1021 12.808,1022 2.874,1023 8.188,1024 9.891,1025 4.562,1026 15.375,1027 7.932,1028 11.77,1029 1,1030 14.604,1031 2.548,1032 8.99,1033 10.987,1034 4.855,1035 17.499,1036 8.687,1037 13.192,1038 0.893,1039 16.421,1040 2.275,1041 10.26,1042 12.626,1043 5.901,1044 19.987,1045 9.925,1046 3.17,1047 0.287,1048 18.253,1049 2.2,1050 11.245,1051 13.923,1052 6.37,1053 22.264,1054 10.868,1055 3.168,1056 10.948,1057 20.098,1058 0.657,1059 12.432,1060 15.474,1061 7.287,1062 24.691,1063 12.021,1064 2.654,1065 10.929,1066 21.953,1067 4.509,1068 13.504,1069 16.87,1070 7.856,1071 27.033,1072 13.053,1073 2.552,1074 8.103,1075 23.817,1076 4.077,1077 14.662,1078 18.385,1079 8.696,1080 29.438,1081 14.175,1082 2.383,1083 8.042,1084 25.687,1085 3.282,1086 15.774,1087 19.829,1088 9.324,1089 31.807,1090 15.248,1091 2.208,1092 6.897,1093 27.563,1094 3.075,1095 16.922,1096 21.329,1097 10.117,1098 34.204,1099 16.36,1100 1.957,1101 6.049,1102 29.444,1103 2.953,1104 18.053,1105 22.798,1106 10.781,1107 36.586,1108 17.453,1109 16536,1110 26476,1111 24.967,1112 40.767,1113 55.748,1114 57.271,1115 57.267,1116 55.593,1117 55.477,1118 69.495,1119 10.197,1120 163.001,1121 52.974,1122 5.581,1123 5.8,1124 6.319,1125 5.245,1126 5.17,1127 7.509,1128 3.661,1129 18.296,1130 5.068,1131 15.93,1132 1.507,1133 1.548,1134 1.548,1135 1.503,1136 1.499,1137 1.878,1138 0.276,1139 4.405,1140 1.432,1141 4.1,1142 4.133,1143 4.065,1144 4.015,1145 8.201,1146 4.024,1147 3.993,1148 4.018,1149 3.946,1150 3.897,1151 7.427,1152 3.903,1153 3.803,1154 3.873,1155 3.693,1156 3.615,1157 4.949,1158 3.624,1159 3.588,1160 3.642,1161 3.492,1162 3.431,1163 4.829,1164 3.433,1165 3.524,1166 3.571,1167 3.445,1168 3.372,1169 4.407,1170 3.383,1171 3.415,1172 3.475,1173 3.274,1174 3.259,1175 4.295,1176 3.257,1177 3.158,1178 3.238,1179 3.023,1180 2.963,1181 4.203,1182 2.964,1183 3.111,1184 3.206,1185 2.937,1186 2.941,1187 4.035,1188 2.91,1189 0.124,1190 0.103,1191 0.182,1192 0.112,1193 0.086,1194 4.581,1195 0.122,1196 3.8,1197 0.056,1198 6.743,1199 0.296,1200 4.137,1201 0.083,1202 3.17,1203 4.509,1204 2.055,1205 10.948,1206 3.068,1207 2.044,1208 2.019,1209 2.116,1210 2.147,1211 1.37,1212 2.14,1213 1.946,1214 1.923,1215 2.058,1216 2.07,1217 1.274,1218 2.064,1219 1.761,1220 1.692,1221 1.954,1222 1.971,1223 1.171,1224 1.971,1225 1.554,1226 1.499,1227 1.783,1228 1.758,1229 1.019,1230 1.768,1231 1.493,1232 1.446,1233 1.699,1234 1.662,1235 0.825,1236 1.674,1237 1.403,1238 1.349,1239 1.644,1240 1.593,1241 0.799,1242 1.614,1243 1.153,1244 1.064,1245 1.513,1246 1.421,1247 0.765,1248 1.444,1249 1.129,1250 1.05,1251 1.48,1252 1.376,1253 0.604,1254 1.429,1255 4.317,1257 5.659,1259 7.206,1261 8.849,1263 10.543,1265 3.726,1267 14.245,1271 6.639,1273 5.748,1276 6.411,1280 38.747,1281 96.067,1282 218.14,1283 296.78,1284 331.65,1285 331.65,1286 331.65,1287 56.657,1288 8.493,1289 48.91,1290 48.91,1291 30,1292 12.831,1293 4.248,1294 3.392,1295 48.272,1296 170,1297 137,1298 0.138,1299 233.226,1300 407.75,1301 560.831,1302 72356,1303 1.6,1304 22.949,1305 0.695,1306 0.581,1307 22.079,1308 19.182,1309 15.991,1310 0.432,1311 0.312,1312 11.371,1313 15.311,1314 11.072,1315 9.108,1316 15.597,1317 11.549,1318 14.727,1319 0.278,1320 0.168,1321 14.081,1322 8.883,1323 12.713,1324 0.177,1325 0.093,1326 12.446,1327 6.674,1328 10.72,1329 0.112,1330 0.05,1331 10.401,1332 4.815,1333 9.139,1334 0.072,1335 0.028,1336 8.801,1337 3.518,1338 0.225,1339 100.516,1340 0.2,1341 31.156,1342 0.358,1343 180,1344 538.163,1345 198.553,1346 490.854,1347 672,1348 462,1349 215,1350 495.34,1351 234.824,1352 494.623,1353 729.68,1354 466,1355 7.8} {0 CHEMBL469668,1 1.592,2 9.222,3 5.116,4 26.17,5 100.185,6 6.902,7 0.207,8 4.11,9 4.238,10 3.589,11 3.553,12 5.097,13 3.532,14 4.761,15 4.957,16 4.064,17 3.991,18 6.218,19 3.943,20 5.045,21 5.278,22 3.975,23 4.231,24 5.899,25 4.112,26 5.211,27 5.482,28 4.02,29 4.272,30 6.112,31 4.131,32 5.226,33 5.509,34 4.075,35 4.246,36 6.167,37 4.142,38 5.141,39 5.368,40 4.107,41 4.283,42 6.143,43 4.18,44 5.272,45 5.54,46 3.994,47 4.274,48 6.155,49 4.133,50 5.218,51 5.509,52 3.978,53 4.059,54 6.388,55 3.938,56 0.084,57 0.973,58 13.051,59 5.685,60 23.246,61 7.453,62 1.27,63 1.77,64 28.572,65 9.164,66 175.31,67 12.89,68 0.508,69 1.708,70 35.905,71 13.078,72 60.614,73 18.592,74 0.612,75 1.912,76 43.581,77 14.91,78 87.788,79 21.7,80 0.862,81 2.008,82 45.787,83 13.942,84 107.981,85 20.174,86 0.721,87 2.001,88 40.384,89 14.202,90 92.777,91 19.661,92 0.872,93 2.017,94 47.55,95 15.213,96 120.006,97 21.725,98 1.467,99 1.903,100 47.605,101 12.692,102 187.28,103 18.59,104 28,105 42,106 0.268,107 0.509,108 0.682,109 0.777,110 0.818,111 0.818,112 3.341,113 1.008,114 -4.01,115 -3.96,116 -3.76,119 35.7,121 5,122 1,124 1,125 5,129 1,132 1,140 4,141 1,142 1,169 9,172 3,176 3,178 12,181 1,182 3,186 3,189 9,193 6,195 1,197 3,199 8,203 4,208 1,211 7,214 1,215 5,218 1,220 1,222 6,226 6,229 1,233 3,237 4,244 1,248 1,249 2,259 1267,260 17.471,261 17.471,262 17.471,263 17.471,264 17.471,265 16.772,266 20.483,267 10.226,268 18.171,269 14.342,270 14.342,271 14.342,272 14.342,273 14.342,274 13.296,275 25.412,276 4.893,277 15.615,278 4.216,279 2.786,280 1.763,281 1.197,282 0.956,283 0.956,284 4.016,288 1,289 1,290 519,291 4,295 289.819,302 1.374,303 41.108,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 61.5,315 249,316 4.526,317 4.437,318 7.554,319 4.457,320 3.486,321 3.81,322 4.032,323 13.562,324 3.379,325 4.192,326 3.707,327 6.457,328 3.901,329 3.139,330 3.377,331 0.8,332 10.204,333 2.606,334 3.888,335 2.947,336 5.88,337 3.582,338 2.64,339 3.055,340 0.8,341 8.204,342 2.403,343 3.609,344 2.832,345 5.418,346 3.494,347 2.559,348 2.62,349 0.394,350 7.184,351 2.275,352 3.307,353 2.512,354 5.148,355 3.072,356 2.145,357 2.484,359 6.228,360 1.971,361 3.067,362 2.338,363 4.881,364 2.888,365 1.959,366 2.084,368 5.638,369 1.803,370 2.7,371 1.623,372 4.282,373 2.567,374 1.578,375 1.773,377 3.465,378 1.556,379 2.582,380 1.344,381 3.732,382 2.221,383 1.236,384 1.588,386 2.848,387 1.213,388 2.012,389 1.146,390 3.596,391 2,392 1,393 1,395 2.336,396 1,397 2,398 1,399 3.478,400 1.967,401 1,402 1,404 2.275,405 0.965,406 2,407 0.943,408 3.414,409 1.847,410 0.864,411 0.968,413 2.23,414 0.847,415 1.13,416 0.51,417 3.092,418 0.962,424 1.029,425 0.51,426 2.973,427 0.773,428 -0.101,429 -0.117,431 -0.292,432 -0.087,433 0.669,434 0.472,435 2.586,436 0.584,437 -0.363,438 -0.365,440 -0.838,441 -0.339,442 0.591,443 0.2,444 2.278,445 0.309,446 -0.658,447 -0.733,449 -1.764,450 -0.629,451 12.324,452 0.456,453 0.921,454 0.034,455 24,456 0.889,457 6.5,458 0.241,459 17.5,460 0.648,461 31.281,462 1.159,463 33.276,464 0.594,465 19.58,466 0.725,467 4.425,468 0.164,469 8.326,470 0.308,471 0.137,472 0.081,473 0.187,478 3,479 0.65,480 1.221,481 0.813,482 1.351,483 0.627,484 1.185,485 0.377,486 0.677,487 0.829,488 0.982,489 0.251,490 1.019,491 0.55,492 0.742,493 0.948,494 1.139,495 0.434,496 1.169,497 0.496,498 0.836,499 0.779,500 1.1,501 0.453,502 1.059,503 0.797,504 0.773,505 0.808,506 0.805,507 0.722,508 0.802,509 0.719,510 0.946,511 0.99,512 1.196,513 0.679,514 1.19,515 0.788,516 0.908,517 0.976,518 1.102,519 0.74,520 1.109,521 0.844,522 0.898,523 0.882,524 0.914,525 0.763,526 0.915,527 8,528 0.124,529 3.111,530 2.125,531 1.787,532 0.958,533 0.628,534 0.665,535 0.406,536 0.26,537 7667,538 21834,539 1.996,540 51.8,541 6,542 17,545 1,547 4,548 1,550 1.709,551 1.841,552 3.151,553 -0.309,559 89.137,560 1.592,561 3.021,562 4.045,563 4.611,564 4.852,565 4.852,566 2.63,567 4.282,568 4.724,569 3.351,570 1176.09,571 8.25,572 14915.6,577 325.212,578 1.65,579 4.655,580 0.276,581 0.01,582 0.074,583 0.053,584 0.045,585 0.022,586 0.014,587 0.018,588 0.012,589 0.012,590 0.535,591 0.5,592 1,593 0.979,594 131.646,595 -0.033,596 -0.139,597 0.039,598 -0.073,599 -0.075,600 -0.012,601 0.494,602 0.376,603 0.115,604 0.1,605 0.52,606 0.02,607 -0.025,608 -0.001,609 -0.097,610 -0.081,611 0.005,612 -0.105,613 0.057,614 -0.136,615 0.089,616 -0.096,617 0.071,618 -0.021,619 -0.045,620 0.028,621 0.123,622 0.142,623 -0.006,624 0.183,625 -0.003,626 -0.086,627 -0.091,628 -0.133,629 -0.019,630 -0.14,631 -0.035,632 -0.108,633 -0.056,634 -0.118,635 -0.058,636 -0.103,637 0.157,638 -0.022,639 0.116,640 -0.02,641 0.156,642 0.018,643 5.965,644 5.39,645 0.667,646 22.881,647 1.012,648 1.155,649 2.784,650 7.75,651 0.61,652 3.401,653 3.761,654 3.912,655 4.174,656 4.407,657 4.419,658 4.522,659 4.7,660 4.615,661 4.554,662 5.799,663 0.581,664 386.51,665 3.401,666 4.963,667 5.784,668 6.681,669 7.527,670 8.427,671 9.286,672 10.189,673 11.055,674 11.958,675 3.6,678 2,688 4,693 2,695 6,712 1,714 56,716 6,717 1,718 29,720 58,721 20,722 6,723 2,724 4,730 3,731 3,740 5,741 1,743 5,745 6,746 14,747 2,762 3,764 29,765 7,766 1,767 7,773 2,777 1,778 2,781 1,793 3,815 2,817 1,819 3,823 1,825 3,827 27,832 1,833 10,835 1,837 1,838 2,839 2,846 3,847 3.6,848 1,852 1,854 14.667,855 9.862,856 5.736,857 3.579,858 1.026,859 1.149,860 0.904,861 6.473,862 7.912,863 3.497,864 3.961,865 4.28,866 4.742,867 5.178,868 5.28,869 5.526,870 5.803,871 5.717,872 5.776,873 1,874 40,875 10.684,877 5.028,878 8.08,879 19.322,881 16.397,883 2.58,884 69.667,887 1,888 329.591,889 87.749,890 6.249,892 53.683,893 44.88,895 87.749,896 383.274,897 51.129,898 8.396,899 23.201,900 80.588,902 70.558,904 329.591,905 9.817,906 329.591,907 93.998,908 98.564,911 270.735,912 69.855,913 87.564,914 9.817,915 29.45,916 54.73,919 374.471,920 59.932,921 87.749,924 339.408,925 31.63,926 52.55,928 98.564,929 329.591,930 104.812,931 87.749,933 0.592,934 0.308,935 0.164,936 0.096,937 20,938 9,939 0.086,940 5,942 1,943 3.701,944 231.212,946 18,947 115.627,951 20.6,952 8.484,953 5.677,955 104.812,956 6.158,961 0.503,963 42.683,964 522.152,965 32,975 56.65,976 64.663,977 0.274,978 0.52,979 0.696,980 0.794,981 0.835,982 0.835,983 4.8,984 1.236,985 5.844,986 3.465,987 4.443,988 4.644,989 3.253,990 6.713,991 4.295,992 5.987,993 1,994 7.448,995 2.848,996 4.369,997 4.543,998 4.056,999 8.104,1000 4.026,1001 7.305,1002 1,1003 9.175,1004 2.336,1005 6.184,1006 6.606,1007 5.637,1008 11.08,1009 5.882,1010 8.651,1011 0.864,1012 10.977,1013 2.275,1014 6.868,1015 7.206,1016 6.953,1017 13.266,1018 6.415,1019 10.031,1021 12.831,1022 2.23,1023 8.269,1024 8.88,1025 8.374,1026 15.934,1027 7.837,1028 11.431,1029 -0.101,1030 14.722,1032 9.263,1033 9.787,1034 9.758,1035 18.39,1036 8.746,1037 12.848,1038 -0.363,1039 16.64,1040 -0.292,1041 10.531,1042 11.306,1043 11.156,1044 20.996,1045 10.015,1046 3.486,1047 -0.658,1048 18.578,1049 -0.838,1050 11.657,1051 12.373,1052 12.548,1053 23.545,1054 11.097,1055 3.139,1056 13.562,1057 20.533,1058 -1.764,1059 12.885,1060 13.816,1061 13.943,1062 26.143,1063 12.318,1064 2.64,1065 10.204,1066 22.5,1067 3.81,1068 14.067,1069 14.977,1070 15.337,1071 28.725,1072 13.476,1073 2.559,1074 8.204,1075 24.478,1076 3.377,1077 15.288,1078 16.376,1079 16.732,1080 31.324,1081 14.686,1082 2.145,1083 7.184,1084 26.463,1085 3.055,1086 16.496,1087 17.595,1088 18.126,1089 33.92,1090 15.877,1091 1.959,1092 6.228,1093 28.456,1094 2.62,1095 17.72,1096 18.968,1097 19.52,1098 36.522,1099 17.087,1100 1.578,1101 5.638,1102 30.453,1103 2.484,1104 18.94,1105 20.226,1106 20.915,1107 39.124,1108 18.292,1109 7623,1110 13217,1111 18.663,1112 34.154,1113 43.543,1114 42.803,1115 44.501,1116 43.655,1117 43.211,1118 47.516,1119 12.052,1120 128.347,1121 40.037,1122 5.526,1123 6.437,1124 7.286,1125 5.524,1126 5.486,1127 6.81,1128 5.542,1129 21.413,1130 5.379,1131 14.922,1132 1.501,1133 1.476,1134 1.535,1135 1.505,1136 1.49,1137 1.638,1138 0.416,1139 4.426,1140 1.381,1141 4.017,1142 4.054,1143 3.943,1144 3.928,1145 8.516,1146 3.925,1147 3.82,1148 3.884,1149 3.728,1150 3.71,1151 7.999,1152 3.703,1153 3.803,1154 3.851,1155 3.674,1156 3.611,1157 7.999,1158 3.619,1159 3.46,1160 3.511,1161 3.455,1162 3.258,1163 6.446,1164 3.257,1165 3.356,1166 3.41,1167 3.244,1168 2.95,1169 4.798,1170 3.046,1171 3.171,1172 3.257,1173 2.988,1174 2.941,1175 4.403,1176 2.927,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 4.194,1182 2.91,1183 3.111,1184 3.206,1185 2.866,1186 2.925,1187 4.116,1188 2.91,1189 0.156,1190 0.153,1191 0.26,1192 0.154,1193 0.12,1194 4.526,1195 0.131,1196 4.437,1197 0.139,1198 7.554,1199 0.468,1200 4.457,1201 0.117,1202 3.486,1203 3.81,1204 4.032,1205 13.562,1206 3.379,1207 1.973,1208 1.944,1209 2.125,1210 2.095,1211 1.512,1212 2.105,1213 1.813,1214 1.773,1215 2.001,1216 1.991,1217 1.317,1218 1.999,1219 1.767,1220 1.693,1221 1.963,1222 1.939,1223 1.169,1224 1.95,1225 1.403,1226 1.342,1227 1.655,1228 1.631,1229 0.892,1230 1.636,1231 1.159,1232 1.066,1233 1.513,1234 1.518,1235 0.825,1236 1.459,1237 1.153,1238 1.064,1239 1.513,1240 1.418,1241 0.825,1242 1.429,1243 1.153,1244 1.064,1245 1.511,1246 1.376,1247 0.677,1248 1.429,1249 1.047,1250 1.027,1251 1.316,1252 1.376,1253 0.564,1254 1.374,1255 4.078,1257 5.425,1259 6.956,1261 8.568,1263 10.223,1265 2.085,1267 37.887,1270 11.39,1271 8.767,1273 4.115,1275 -0.224,1276 4.577,1277 -5.591,1280 32.524,1281 89.137,1282 169.199,1283 226.509,1284 258.192,1285 271.702,1286 271.702,1287 71.791,1288 6.887,1289 35.94,1290 35.94,1291 18,1292 12.486,1293 2.807,1294 2,1295 46.496,1296 87,1297 106,1298 0.247,1299 196.831,1300 356.45,1301 472.027,1302 7294,1303 5.4,1304 19.493,1305 0.722,1306 0.587,1307 16.993,1308 15.842,1309 12.751,1310 0.44,1311 0.336,1312 9.554,1313 12.064,1314 9.381,1315 7.695,1316 11.604,1317 9.741,1318 12.74,1319 0.303,1320 0.189,1321 10.384,1322 7.941,1323 8.907,1324 0.182,1325 0.12,1326 8.583,1327 5.899,1328 7.45,1329 0.116,1330 0.067,1331 6.769,1332 4.315,1333 6.145,1334 0.076,1335 0.042,1336 5.768,1337 3.405,1338 0.376,1339 81.326,1340 0.231,1341 25.45,1342 0.719,1343 142,1344 549.509,1345 171.647,1346 441.74,1347 565.1,1348 408,1349 162,1350 385.176,1351 181.927,1352 369.405,1353 561.22,1354 343,1355 5} {0 CHEMBL469995,1 1.429,2 14.118,3 4.353,4 18.945,5 134.392,6 6.919,7 0.436,8 4.289,9 4.412,10 3.818,11 3.838,12 5.245,13 3.805,14 4.872,15 5.065,16 4.157,17 4.232,18 5.77,19 4.176,20 5.135,21 5.357,22 4.272,23 4.41,24 6.044,25 4.329,26 5.208,27 5.434,28 4.215,29 4.47,30 6.045,31 4.355,32 5.284,33 5.529,34 4.178,35 4.489,36 6.095,37 4.353,38 5.262,39 5.519,40 4.04,41 4.401,42 6.057,43 4.246,44 5.163,45 5.442,46 3.854,47 4.231,48 5.897,49 4.072,50 4.963,51 5.224,52 3.708,53 4.105,54 5.689,55 3.941,56 0.04,57 0.979,58 14.881,59 6.264,60 6.759,61 8.643,62 0.279,63 1.645,64 28.8,65 10.083,66 21.195,67 14.537,68 0.524,69 2.041,70 38.542,71 13.251,72 44.15,73 19.191,74 0.349,75 2.116,76 41.222,77 15.751,78 37.526,79 22.172,80 0.423,81 2.212,82 45.168,83 17.023,84 41.788,85 24.209,86 0.391,87 2.14,88 44.555,89 16.361,90 46.234,91 23.497,92 0.488,93 1.879,94 41.55,95 14.163,96 44.77,97 20.526,98 0.408,99 1.589,100 33.193,101 11.919,102 31.031,103 17.355,104 5,105 56,106 0.226,107 0.53,108 0.73,109 0.843,110 0.852,111 0.852,112 3.56,113 0.965,114 -4.25,115 -4.19,116 -3.96,119 42.4,120 1,121 3,122 1,125 7,140 8,141 2,142 3,144 2,156 1,169 11,171 1,172 10,178 8,181 3,182 12,189 6,192 1,193 9,199 7,202 1,203 9,211 6,214 1,215 9,222 7,225 1,226 3,233 6,236 2,237 2,244 4,248 1,249 5,256 6,259 1950,260 23.532,261 23.532,262 23.532,263 23.532,264 23.532,265 21.388,266 27.679,267 13.683,268 23.995,269 19.268,270 19.268,271 19.268,272 19.268,273 19.268,274 15.934,275 35.479,276 6.495,277 20.023,278 4.615,279 2.69,280 1.421,281 0.708,282 0.648,283 0.648,284 4.277,289 1,290 1092,291 3,292 52.684,295 461.85,299 309.543,302 2.059,303 23.392,306 1,307 0.67,308 1,309 1,310 0.5,311 1,312 1,313 0.88,314 72,315 480,316 4.551,317 3.817,318 6.795,319 4.155,320 3.202,321 4.474,322 2.055,323 11.186,324 3.051,325 4.478,326 3.281,327 6.695,328 4.108,329 3.139,330 4.082,331 0.933,332 10.856,333 3.045,334 3.895,335 3.183,336 6.041,337 3.705,338 2.723,339 3.249,340 0.8,341 8.617,342 2.678,343 3.853,344 2.876,345 5.807,346 3.582,347 2.641,348 3.121,349 0.8,350 8.001,351 2.485,352 3.587,353 2.73,354 5.457,355 3.464,356 2.478,357 2.735,358 0.51,359 7.23,360 2.432,361 3.527,362 2.642,363 5.33,364 3.294,365 2.352,366 2.609,368 6.879,369 2.212,370 3.344,371 2.38,372 5.043,373 3.007,374 2.042,375 2.521,377 5.742,378 1.967,379 3.224,380 2.255,381 4.959,382 2.869,383 1.876,384 2.407,386 5.531,387 1.852,388 3.028,389 2.09,390 4.56,391 2.578,392 1.61,393 2.242,395 4.499,396 1.561,397 2.915,398 1.652,399 4.381,400 2.499,401 1.561,402 2.075,404 4.137,405 1.455,406 2.776,407 1.492,408 4.036,409 2.399,410 1.418,411 1.844,413 3.464,414 1.387,415 2.432,416 1.458,417 3.777,418 2.216,419 1.252,420 1.418,422 2.947,423 1.196,424 2.252,425 1.246,426 3.414,427 1.967,428 1,429 1.164,431 2.275,432 0.965,433 2,434 1.146,435 3.382,436 1.838,437 0.86,438 1,440 2.05,441 0.84,442 1.862,443 0.927,444 3.303,445 1.654,446 0.679,447 0.767,449 1.697,450 0.66,451 16.267,452 0.478,453 0.777,454 0.023,455 42,456 1.235,457 19,458 0.559,459 23,460 0.676,461 32.814,462 0.965,463 36.533,464 0.554,465 30.365,466 0.893,467 7.821,468 0.23,469 8.832,470 0.26,471 0.051,473 0.35,479 0.775,480 1.432,481 0.821,482 1.157,483 0.558,484 1.018,485 1.131,486 1.172,487 0.967,488 0.98,489 0.637,490 0.947,491 1.06,492 0.973,493 0.993,494 0.919,495 0.908,496 0.93,497 1.042,498 1.066,499 1.053,500 1.087,501 0.945,502 1.076,503 0.993,504 1.027,505 1.037,506 1.057,507 1.018,508 1.057,509 1.011,510 1.103,511 1.101,512 1.142,513 1.196,514 1.136,515 1.295,516 0.9,517 1.065,518 0.911,519 1.024,520 0.957,521 0.953,522 1.034,523 1.13,524 1.066,525 0.819,526 1.113,527 6,528 0.156,529 4.278,530 1.965,531 2.057,532 1.091,533 0.65,534 0.399,535 0.232,536 0.225,537 20070,538 42059,539 2.216,540 48.5,541 4,542 22,546 3,547 3,550 1.755,551 2.125,552 3.74,553 -0.817,559 94.324,560 1.429,561 3.354,562 4.624,563 5.336,564 5.397,565 5.397,566 3.19,567 4.374,568 5.063,569 3.941,570 2210.93,571 8.846,572 34790.1,577 398.93,578 1.221,579 5.041,580 0.154,581 0.005,582 0.081,583 0.034,584 0.038,585 0.021,586 0.015,587 0.011,588 0.008,589 0.008,590 0.376,591 0.33,592 0.88,593 0.39,594 184.514,595 0.028,596 -0.241,597 0.093,598 -0.08,599 0.024,600 -0.003,601 -0.037,602 -0.035,603 0.011,604 0.004,605 0.041,606 0.013,607 0.066,608 0.11,610 0.047,611 0.071,612 0.026,613 -0.062,614 -0.056,615 -0.082,616 -0.078,617 -0.035,618 -0.082,619 -0.03,620 -0.054,621 -0.061,622 -0.056,623 -0.05,624 -0.062,625 -0.046,626 -0.14,627 -0.118,628 -0.159,629 -0.109,630 -0.149,631 -0.121,632 0.037,633 -0.048,634 0.04,635 -0.118,636 0.008,637 -0.001,638 -0.063,639 -0.145,640 -0.091,641 -0.055,642 -0.131,643 1.577,644 5.467,645 0.853,646 36.294,647 0.991,648 1.125,649 3.021,650 9.125,651 0.66,652 3.689,653 4.043,654 4.331,655 4.625,656 4.92,657 4.997,658 5.112,659 5.231,660 5.342,661 5.375,662 8.246,663 0.62,664 456.64,665 3.689,666 5.252,667 6.129,668 7.024,669 7.914,670 8.812,671 9.706,672 10.604,673 11.5,674 12.399,675 6.1,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 66,716 18,717 2,718 39,720 71,721 28,722 15,723 6,724 6,730 6,731 8,736 1,740 2,741 1,743 3,745 16,746 12,747 1,750 1,755 1,759 1,764 32,765 6,767 6,773 4,777 0.667,778 2,786 1,790 1,793 5,797 2,806 1,815 1,819 4,823 1,827 34,833 10,835 1,837 1,838 3,847 3,850 1,852 1,854 16,855 12.133,856 7.278,857 4.322,858 3.58,859 1.409,860 1.021,861 5.921,862 12.331,863 3.902,864 4.489,865 5.055,866 5.634,867 6.205,868 6.455,869 6.771,870 7.087,871 7.358,872 7.266,873 1,874 58,875 12.668,877 5.513,878 7.475,879 25.203,881 21.932,883 1.975,884 67.167,888 376.675,889 135.586,890 26.158,892 36.145,895 135.586,896 412.82,897 26.158,898 8.825,899 27.955,900 75.81,901 46.635,902 38.665,904 376.675,906 376.675,907 161.745,908 36.145,911 341.362,912 71.458,915 44.805,916 100.154,917 16.786,919 376.675,920 62.303,921 135.586,924 376.675,925 50.951,926 94.008,928 52.93,929 376.675,930 62.303,931 135.586,933 0.588,934 0.338,935 0.189,936 0.109,937 30,938 12,939 0.085,940 6,941 2,942 1.138,943 4.651,944 331.052,945 0.138,946 29,947 164.974,951 21.88,952 9.201,953 4.675,954 2.308,955 62.303,956 17.014,957 4.7,961 5.436,964 574.565,965 48.5,970 12.467,974 0.089,975 65.432,976 74.225,977 0.236,978 0.555,979 0.765,980 0.883,981 0.893,982 0.893,983 5.172,984 1.876,985 6.116,986 5.742,987 4.727,988 5.176,989 2.506,990 6.952,991 4.652,992 6.367,993 1.61,994 7.688,995 5.531,996 4.369,997 5.017,998 1.803,999 7.928,1000 4.263,1001 7.677,1002 1.561,1003 9.361,1004 4.499,1005 6.358,1006 7.349,1007 3.344,1008 11.022,1009 6.206,1010 9.018,1011 1.418,1012 11.094,1013 4.137,1014 6.792,1015 8.02,1016 3.307,1017 12.82,1018 6.606,1019 10.392,1020 1.252,1021 12.865,1022 3.464,1023 8.265,1024 9.864,1025 4.562,1026 15.455,1027 8.038,1028 11.79,1029 1,1030 14.663,1031 2.947,1032 9.069,1033 10.944,1034 4.855,1035 17.597,1036 8.804,1037 13.207,1038 0.86,1039 16.481,1040 2.275,1041 10.336,1042 12.584,1043 5.901,1044 20.077,1045 10.032,1046 3.202,1047 0.679,1048 18.314,1049 2.05,1050 11.317,1051 13.869,1052 6.37,1053 22.366,1054 10.973,1055 3.139,1056 11.186,1057 20.16,1058 1.697,1059 12.502,1060 15.419,1061 7.287,1062 24.793,1063 12.119,1064 2.723,1065 10.856,1066 22.016,1067 4.474,1068 13.568,1069 16.805,1070 7.856,1071 27.145,1072 13.144,1073 2.641,1074 8.617,1075 23.881,1076 4.082,1077 14.723,1078 18.315,1079 8.696,1080 29.554,1081 14.26,1082 2.478,1083 8.001,1084 25.752,1085 3.249,1086 15.83,1087 19.75,1088 9.324,1089 31.933,1090 15.326,1091 2.352,1092 7.23,1093 27.629,1094 3.121,1095 16.976,1096 21.244,1097 10.117,1098 34.337,1099 16.431,1100 2.042,1101 6.879,1102 29.51,1103 2.735,1104 18.104,1105 22.703,1106 10.781,1107 36.728,1108 17.518,1109 18005,1110 26211,1111 27.046,1112 43.591,1113 58.994,1114 60.284,1115 60.266,1116 58.585,1117 58.605,1118 72.461,1119 10.197,1120 172.476,1121 56.453,1122 5.551,1123 5.817,1124 6.324,1125 5.264,1126 5.202,1127 7.474,1128 3.661,1129 18.563,1130 5.051,1131 11.502,1132 1.513,1133 1.546,1134 1.545,1135 1.502,1136 1.503,1137 1.858,1138 0.261,1139 4.422,1140 1.448,1141 4.1,1142 4.135,1143 4.056,1144 4.018,1145 7.427,1146 4.023,1147 4.015,1148 4.046,1149 3.963,1150 3.914,1151 4.984,1152 3.92,1153 3.867,1154 3.918,1155 3.747,1156 3.774,1157 4.827,1158 3.76,1159 3.783,1160 3.847,1161 3.675,1162 3.597,1163 4.441,1164 3.607,1165 3.536,1166 3.585,1167 3.445,1168 3.416,1169 4.306,1170 3.41,1171 3.495,1172 3.536,1173 3.398,1174 3.309,1175 4.287,1176 3.332,1177 3.323,1178 3.39,1179 3.175,1180 3.169,1181 4.274,1182 3.161,1183 3.111,1184 3.206,1185 2.953,1186 2.953,1187 3.975,1188 2.94,1189 0.117,1190 0.098,1191 0.174,1192 0.107,1193 0.082,1194 4.551,1195 0.115,1196 3.817,1197 0.053,1198 6.795,1199 0.287,1200 4.155,1201 0.078,1202 3.202,1203 4.474,1204 2.055,1205 11.186,1206 3.051,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.36,1212 2.144,1213 1.945,1214 1.922,1215 2.05,1216 2.07,1217 1.253,1218 2.062,1219 1.746,1220 1.677,1221 1.939,1222 1.958,1223 1.173,1224 1.957,1225 1.542,1226 1.493,1227 1.748,1228 1.734,1229 1.074,1230 1.739,1231 1.508,1232 1.459,1233 1.72,1234 1.656,1235 0.869,1236 1.681,1237 1.329,1238 1.261,1239 1.604,1240 1.518,1241 0.825,1242 1.551,1243 1.278,1244 1.23,1245 1.527,1246 1.507,1247 0.825,1248 1.517,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.803,1254 1.429,1255 4.369,1256 1.946,1257 5.714,1258 3.714,1259 7.265,1260 5.416,1261 8.91,1262 7.101,1263 10.604,1265 2.044,1271 9.516,1273 5.939,1275 0.663,1276 6.989,1280 40.89,1281 94.324,1282 221.381,1283 305.156,1284 352.175,1285 356.175,1286 356.175,1287 48.15,1288 8.751,1289 48.91,1290 48.91,1291 33,1292 12.923,1293 4.248,1294 3.392,1295 45.455,1296 174,1297 154,1298 0.127,1299 243.819,1300 423.92,1301 586.678,1302 97461,1304 23.07,1305 0.679,1306 0.584,1307 23.07,1308 19.873,1309 16.653,1310 0.427,1311 0.322,1312 12.395,1313 16.102,1314 12.11,1315 9.927,1316 16.653,1317 12.543,1318 15.211,1319 0.272,1320 0.176,1321 15.211,1322 9.877,1323 12.926,1324 0.172,1325 0.095,1326 12.926,1327 7.115,1328 11.04,1329 0.109,1330 0.051,1331 11.04,1332 5.142,1333 9.649,1334 0.071,1335 0.028,1336 9.649,1337 3.874,1338 0.205,1339 103.537,1340 0.192,1341 31.842,1342 0.332,1343 190,1344 460.052,1345 205.055,1346 444.538,1347 627.09,1348 422,1349 229,1350 475.359,1351 246.413,1352 480.205,1353 713.41,1354 455,1355 9.5} {0 CHEMBL470217,1 1.531,2 14.059,3 4.572,4 20.9,5 131.686,6 7.117,7 0.447,8 4.268,9 4.392,10 3.807,11 3.792,12 5.296,13 3.768,14 4.857,15 5.051,16 4.196,17 4.203,18 5.842,19 4.166,20 5.131,21 5.341,22 4.316,23 4.411,24 6.138,25 4.346,26 5.246,27 5.472,28 4.237,29 4.478,30 6.171,31 4.36,32 5.324,33 5.588,34 4.137,35 4.461,36 6.145,37 4.314,38 5.273,39 5.552,40 4.035,41 4.341,42 6.149,43 4.193,44 5.137,45 5.417,46 3.918,47 4.202,48 6.038,49 4.065,50 4.983,51 5.233,52 3.825,53 4.127,54 5.84,55 3.994,56 0.004,57 1.025,58 14.118,59 6.116,60 7.262,61 8.227,62 0.26,63 1.698,64 28.098,65 9.797,66 26.378,67 13.853,68 0.542,69 2.151,70 38.078,71 13.14,72 53.933,73 18.348,74 0.481,75 2.29,76 42.952,77 16.279,78 56.866,79 22.761,80 0.391,81 2.354,82 47.962,83 17.753,84 53.611,85 25.194,86 0.52,87 2.319,88 46.939,89 16.249,90 74.201,91 22.994,92 0.635,93 2.037,94 41.483,95 13.739,96 77.045,97 19.346,98 0.347,99 1.684,100 34.067,101 12.104,102 49.762,103 16.966,104 26,105 55,106 0.243,107 0.567,108 0.801,109 0.888,110 0.888,111 0.888,112 3.56,113 0.946,114 -4.42,115 -4.35,116 -4.1,119 41.5,120 2,121 2,124 1,125 5,127 1,140 7,141 2,142 4,144 2,156 1,169 7,171 1,172 10,178 9,181 3,182 9,189 6,192 1,193 9,199 7,203 7,211 4,214 1,215 6,222 3,225 2,226 6,233 5,237 2,244 4,248 2,249 4,256 7,259 1988,260 22.878,261 22.878,262 22.878,263 22.878,264 22.878,265 20.708,266 31.138,267 13.178,268 23.404,269 18.726,270 18.726,271 18.726,272 18.726,273 18.726,274 15.297,275 41.805,276 6.229,277 19.589,278 4.492,279 2.451,280 0.983,281 0.435,282 0.435,283 0.435,284 4.267,289 1,290 1056,291 3.082,295 474.065,299 316.948,302 2.114,303 32.486,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 73.5,315 478,316 4.583,317 3.8,318 6.743,319 4.145,320 3.18,321 4.51,322 2.055,323 10.972,324 3.073,325 4.464,326 3.353,327 6.72,328 4.124,329 3.169,330 4.077,331 0.933,332 10.929,333 3.023,334 3.927,335 3.179,336 6.077,337 3.77,338 2.83,339 3.287,340 0.8,341 8.787,342 2.655,343 3.825,344 3.071,345 5.933,346 3.533,347 2.553,348 3.075,349 0.8,350 8.101,351 2.496,352 3.725,353 2.729,354 5.738,355 3.395,356 2.451,357 2.973,358 0.51,359 7.73,360 2.313,361 3.539,362 2.667,363 5.051,364 3.152,365 2.216,366 2.782,368 6.056,369 2.062,370 3.306,371 2.459,372 5.029,373 2.922,374 1.957,375 2.572,377 5.655,378 1.901,379 3.251,380 2.206,381 4.963,382 2.895,383 1.901,384 2.448,386 5.563,387 1.857,388 2.916,389 2.124,390 4.583,391 2.579,392 1.634,393 2.075,395 4.562,396 1.544,397 2.885,398 1.696,399 4.359,400 2.49,401 1.543,402 1.977,404 4.089,405 1.451,406 2.574,407 1.59,408 4.195,409 2.447,410 1.479,411 1.576,413 3.783,414 1.427,415 2.393,416 1.461,417 3.725,418 2.24,419 1.272,420 1.384,422 2.848,423 1.223,424 2.319,425 1.239,426 3.657,427 1.999,428 1.038,429 1.271,431 2.533,432 0.991,433 2.085,434 1.16,435 3.445,436 1.859,437 0.894,438 1.044,440 2.22,441 0.859,442 1.648,443 1.031,444 2.948,445 1.287,446 0.314,447 0.369,449 0.741,450 0.302,451 16.052,452 0.472,453 0.942,454 0.028,455 41.75,456 1.228,457 19,458 0.559,459 22.75,460 0.669,461 34.112,462 1.003,463 37.348,464 0.575,465 32.079,466 0.943,467 8.06,468 0.237,469 8.342,470 0.245,471 0.132,473 0.386,477 1,479 0.675,480 1.341,481 0.788,482 1.195,483 0.533,484 1.042,485 0.92,486 1.058,487 0.843,488 0.906,489 0.54,490 0.855,491 1.006,492 0.963,493 1.026,494 0.95,495 0.87,496 0.969,497 0.766,498 0.973,499 1.057,500 1.157,501 0.684,502 1.164,503 0.759,504 1.01,505 0.966,506 1.072,507 0.627,508 1.063,509 0.993,510 1.108,511 1.013,512 1.028,513 1.073,514 1.025,515 1.151,516 0.939,517 1.056,518 0.905,519 1.323,520 0.95,521 1.04,522 1.043,523 1.119,524 1.106,525 0.952,526 1.124,527 7,528 0.186,529 4.667,530 2.688,531 2.489,532 1.201,533 0.909,534 0.523,535 0.312,536 0.282,537 18744,538 46765,539 2.109,540 47.7,541 2,542 21,546 3,547 5,550 1.755,551 1.962,552 3.708,553 -0.788,559 99.492,560 1.531,561 3.571,562 5.039,563 5.588,564 5.588,565 5.588,566 3.127,567 4.852,568 5.064,569 3.926,570 2202.6,571 8.847,572 34662.2,577 391.454,578 1.449,579 5.014,580 0.184,581 0.007,582 0.085,583 0.045,584 0.047,585 0.026,586 0.022,587 0.014,588 0.009,589 0.009,590 0.448,591 0.33,592 0.75,593 0.556,594 184.401,595 0.002,596 -0.229,597 0.076,598 -0.101,599 -0.016,600 -0.021,601 -0.034,602 -0.017,603 0.099,604 0.082,605 0.057,606 0.111,607 -0.019,608 0.089,609 -0.063,610 0.03,611 0.001,612 -0.008,613 0.033,614 -0.043,615 -0.119,616 -0.143,617 0.025,618 -0.16,619 -0.014,620 -0.127,621 -0.01,622 -0.074,623 0.018,624 -0.05,625 -0.024,626 -0.084,627 -0.012,628 -0.049,629 -0.04,630 -0.033,631 -0.043,632 0.138,633 -0.032,634 0.058,635 -0.104,636 0.023,637 -0.107,638 -0.086,639 -0.144,640 -0.118,641 -0.112,642 -0.133,643 1.906,644 6.342,645 0.765,646 35.765,647 0.999,648 1.132,649 3.19,650 10.176,651 0.654,652 3.664,653 4.025,654 4.331,655 4.615,656 4.89,657 4.963,658 5.063,659 5.17,660 5.247,661 5.236,662 8.208,663 0.62,664 462.62,665 3.664,666 5.231,667 6.103,668 6.999,669 7.885,670 8.783,671 9.675,672 10.574,673 11.467,674 12.367,675 6.2,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 65,716 18,717 2,718 38,720 69,721 27,722 15,723 7,724 5,730 5,731 7,736 2,740 1,743 3,745 16,746 11,750 1,755 1,759 1,762 1,764 31,765 7,767 7,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 3,825 1,827 34,833 7,835 1,837 1,838 3,846 1,847 3.1,850 1,852 1,854 17.333,855 12.693,856 7.306,857 4.119,858 3.52,859 1.413,860 0.994,861 6.458,862 12.048,863 3.882,864 4.489,865 5.07,866 5.653,867 6.229,868 6.5,869 6.795,870 7.128,871 7.363,872 7.264,873 1,874 60,875 12.667,877 5.472,878 7.686,879 24.589,881 20.79,883 2.186,884 74.333,888 364.904,889 145.707,890 26.158,892 36.145,893 14.96,895 145.707,896 401.049,897 41.119,898 26.047,899 21.209,900 66.334,901 46.635,902 47.786,903 14.96,904 364.904,906 364.904,907 171.865,908 51.105,911 321.009,912 95,915 46.884,916 108.196,917 16.786,919 379.864,920 62.303,921 145.707,924 364.904,925 53.326,926 101.753,928 67.89,929 364.904,930 77.263,931 145.707,933 0.593,934 0.355,935 0.194,936 0.111,937 28,938 13,939 0.072,940 5,941 2,942 1.154,943 4.477,944 325.594,945 0.154,946 26,947 170.974,951 23.072,952 9.517,953 4.652,954 1.718,955 77.263,956 13.222,957 4.526,961 4.423,964 587.874,965 47.5,970 11.926,974 -0.02,975 64.945,976 73.565,977 0.254,978 0.593,979 0.837,980 0.928,981 0.928,982 0.928,983 5.155,984 1.901,985 6.107,986 5.655,987 4.71,988 5.176,989 2.506,990 6.952,991 4.621,992 6.36,993 1.634,994 7.69,995 5.563,996 4.369,997 5.066,998 1.803,999 7.906,1000 4.228,1001 7.677,1002 1.543,1003 9.372,1004 4.562,1005 6.34,1006 7.373,1007 3.344,1008 11.028,1009 6.165,1010 9.025,1011 1.479,1012 11.111,1013 4.089,1014 6.792,1015 8.075,1016 3.307,1017 12.799,1018 6.564,1019 10.406,1020 1.272,1021 12.886,1022 3.783,1023 8.254,1024 9.903,1025 4.562,1026 15.449,1027 7.993,1028 11.809,1029 1.038,1030 14.686,1031 2.848,1032 9.075,1033 10.999,1034 4.855,1035 17.567,1036 8.765,1037 13.231,1038 0.894,1039 16.506,1040 2.533,1041 10.337,1042 12.633,1043 5.901,1044 20.051,1045 9.992,1046 3.18,1047 0.314,1048 18.339,1049 2.22,1050 11.332,1051 13.929,1052 6.37,1053 22.32,1054 10.941,1055 3.169,1056 10.972,1057 20.184,1058 0.741,1059 12.515,1060 15.479,1061 7.287,1062 24.743,1063 12.088,1064 2.83,1065 10.929,1066 22.039,1067 4.51,1068 13.59,1069 16.873,1070 7.856,1071 27.078,1072 13.12,1073 2.553,1074 8.787,1075 23.9,1076 4.077,1077 14.744,1078 18.387,1079 8.696,1080 29.479,1081 14.237,1082 2.451,1083 8.101,1084 25.768,1085 3.287,1086 15.856,1087 19.831,1088 9.324,1089 31.844,1090 15.308,1091 2.216,1092 7.73,1093 27.641,1094 3.075,1095 17.002,1096 21.33,1097 10.117,1098 34.238,1099 16.417,1100 1.957,1101 6.056,1102 29.518,1103 2.973,1104 18.132,1105 22.799,1106 10.781,1107 36.618,1108 17.507,1109 17373,1110 27602,1111 25.372,1112 42.529,1113 57.592,1114 59.059,1115 59.491,1116 57.334,1117 57.236,1118 71.261,1119 10.197,1120 169.998,1121 54.712,1122 5.583,1123 5.8,1124 6.316,1125 5.254,1126 5.18,1127 7.51,1128 3.661,1129 18.32,1130 5.073,1131 17.867,1132 1.516,1133 1.554,1134 1.566,1135 1.509,1136 1.506,1137 1.875,1138 0.268,1139 4.474,1140 1.44,1141 4.103,1142 4.136,1143 4.067,1144 4.017,1145 8.201,1146 4.025,1147 3.993,1148 4.018,1149 3.946,1150 3.898,1151 7.427,1152 3.904,1153 3.83,1154 3.895,1155 3.726,1156 3.654,1157 4.949,1158 3.662,1159 3.589,1160 3.644,1161 3.493,1162 3.431,1163 4.829,1164 3.433,1165 3.529,1166 3.576,1167 3.451,1168 3.383,1169 4.427,1170 3.392,1171 3.421,1172 3.48,1173 3.277,1174 3.265,1175 4.295,1176 3.264,1177 3.273,1178 3.362,1179 3.08,1180 3.103,1181 4.221,1182 3.081,1183 3.158,1184 3.237,1185 2.995,1186 2.962,1187 4.039,1188 2.96,1189 0.121,1190 0.1,1191 0.177,1192 0.109,1193 0.084,1194 4.583,1195 0.119,1196 3.8,1197 0.054,1198 6.743,1199 0.289,1200 4.145,1201 0.081,1202 3.18,1203 4.51,1204 2.055,1205 10.972,1206 3.073,1207 2.045,1208 2.02,1209 2.118,1210 2.149,1211 1.387,1212 2.142,1213 1.946,1214 1.923,1215 2.059,1216 2.07,1217 1.276,1218 2.065,1219 1.791,1220 1.726,1221 1.976,1222 1.988,1223 1.185,1224 1.988,1225 1.555,1226 1.5,1227 1.79,1228 1.76,1229 1.023,1230 1.772,1231 1.503,1232 1.456,1233 1.711,1234 1.667,1235 0.901,1236 1.68,1237 1.408,1238 1.355,1239 1.654,1240 1.6,1241 0.8,1242 1.623,1243 1.3,1244 1.215,1245 1.627,1246 1.519,1247 0.765,1248 1.562,1249 1.129,1250 1.05,1251 1.48,1252 1.421,1253 0.604,1254 1.444,1255 4.344,1257 5.694,1259 7.246,1261 8.896,1263 10.597,1265 5.97,1267 14.342,1271 5.628,1273 5.769,1275 0.357,1276 6.473,1280 40.274,1281 99.492,1282 232.112,1283 327.538,1284 363.189,1285 363.189,1286 363.189,1287 60.853,1288 8.528,1289 48.91,1290 48.91,1291 30,1292 12.89,1293 4.248,1294 3.392,1295 50.359,1296 172,1297 146,1298 0.142,1299 242.818,1300 425.05,1301 584.236,1302 74281,1303 1.5,1304 23.819,1305 0.701,1306 0.59,1307 22.949,1308 20.052,1309 16.402,1310 0.432,1311 0.315,1312 11.8,1313 15.726,1314 11.44,1315 9.442,1316 16.008,1317 11.976,1318 15.256,1319 0.277,1320 0.171,1321 14.611,1322 9.386,1323 13.172,1324 0.176,1325 0.094,1326 12.905,1327 7.038,1328 11.106,1329 0.111,1330 0.051,1331 10.788,1332 5.129,1333 9.394,1334 0.071,1335 0.028,1336 9.053,1337 3.713,1338 0.229,1339 102.943,1340 0.199,1341 31.77,1342 0.373,1343 186,1344 544.163,1345 204.886,1346 497.446,1347 682.52,1348 468,1349 223,1350 505.692,1351 243.157,1352 505.434,1353 745.63,1354 476,1355 8.4} {0 CHEMBL470849,1 1.464,2 14,3 3.783,4 14.309,5 122.154,6 7.061,7 0.486,8 4.176,9 4.3,10 3.714,11 3.717,12 5.178,13 3.69,14 4.753,15 4.938,16 4.077,17 4.124,18 5.709,19 4.077,20 5.026,21 5.244,22 4.152,23 4.3,24 5.971,25 4.218,26 5.081,27 5.317,28 4.025,29 4.323,30 5.89,31 4.193,32 5.113,33 5.371,34 3.91,35 4.295,36 5.878,37 4.136,38 5.091,39 5.38,40 3.774,41 4.171,42 5.821,43 3.995,44 4.905,45 5.19,46 3.659,47 3.995,48 5.659,49 3.843,50 4.748,51 4.996,52 3.608,53 3.917,54 5.53,55 3.783,56 0.033,57 0.876,58 12.938,59 5.425,60 6.846,61 7.418,62 0.241,63 1.465,64 25.06,65 8.88,66 22.412,67 12.624,68 0.503,69 1.826,70 34.257,71 11.803,72 47.443,73 16.908,74 0.298,75 1.849,76 36.25,77 13.985,78 32.195,79 19.78,80 0.284,81 1.866,82 37.983,83 14.416,84 35.919,85 20.809,86 0.37,87 1.775,88 38.38,89 13.514,90 39.635,91 20.115,92 0.366,93 1.496,94 31.955,95 10.785,96 36.128,97 15.97,98 0.254,99 1.278,100 26.579,101 9.596,102 26.606,103 13.651,104 5,105 49,106 0.237,107 0.562,108 0.744,109 0.851,110 0.862,111 0.862,112 3.471,113 0.948,114 -3.65,115 -3.62,116 -3.44,119 42.4,120 1,121 2,125 6,140 8,141 2,142 3,144 2,156 1,169 9,172 8,174 1,176 1,178 9,181 2,182 8,184 1,186 2,189 7,192 1,193 7,197 2,199 7,203 6,208 1,211 3,214 1,215 7,222 1,225 1,226 5,229 1,233 2,237 1,244 4,248 2,249 3,256 6,259 1559,260 21.378,261 21.378,262 21.378,263 21.378,264 21.378,265 19.184,266 27.303,267 12.614,268 21.797,269 17.307,270 17.307,271 17.307,272 17.307,273 17.307,274 13.931,275 35.97,276 5.995,277 17.99,278 4.419,279 2.412,280 1.288,281 0.623,282 0.555,283 0.555,284 4.187,288 1,289 1,290 971,291 2.828,295 428.906,299 286.65,302 2.065,303 21.327,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 434,316 4.551,317 3.662,318 6.695,319 4.108,320 3.139,321 4.474,322 2.03,323 10.856,324 3.046,325 4.391,326 3.28,327 6.517,328 4.017,329 3.054,330 4.034,331 0.892,332 10.248,333 2.937,334 3.856,335 3.178,336 5.807,337 3.583,338 2.648,339 3.249,340 0.8,341 8.001,342 2.473,343 3.65,344 2.877,345 5.343,346 3.356,347 2.393,348 2.872,349 0.8,350 6.903,351 2.33,352 3.533,353 2.643,354 5.306,355 3.296,356 2.324,357 2.735,358 0.141,359 6.702,360 2.221,361 3.341,362 2.283,363 4.962,364 3.009,365 2.044,366 2.506,368 5.734,369 1.969,370 3.239,371 2.243,372 4.813,373 2.887,374 1.891,375 2.436,377 5.292,378 1.875,379 3.03,380 2.038,381 4.56,382 2.582,383 1.606,384 2.247,386 4.498,387 1.566,388 2.911,389 1.657,390 4.196,391 2.473,392 1.524,393 2.071,395 3.818,396 1.439,397 2.786,398 1.483,399 4.037,400 2.415,401 1.43,402 1.856,404 3.473,405 1.406,406 2.346,407 1.331,408 3.523,409 2.179,410 1.209,411 1.327,413 2.694,414 1.167,415 2.213,416 1.204,417 3.414,418 1.967,419 1,420 1.134,422 2.275,423 0.965,424 2,425 1.146,426 3.37,427 1.831,428 0.887,429 1,431 2.067,432 0.831,433 1.975,434 0.904,435 3.291,436 1.741,437 0.787,438 0.92,440 1.875,441 0.746,442 1.261,443 0.816,444 2.786,445 1.08,446 0.113,447 0.123,449 0.275,450 0.108,451 14.767,452 0.476,453 0.674,454 0.022,455 39.75,456 1.282,457 19,458 0.613,459 20.75,460 0.669,461 27.316,462 0.881,463 33.233,464 0.563,465 27.943,466 0.901,467 7.712,468 0.249,469 7.458,470 0.241,471 0.056,473 0.325,479 0.805,480 1.401,481 0.815,482 1.133,483 0.585,484 0.996,485 1.082,486 1.164,487 0.931,488 0.97,489 0.616,490 0.927,491 1.051,492 0.955,493 1.046,494 0.94,495 0.94,496 0.971,497 0.856,498 1.063,499 1.047,500 1.113,501 0.565,502 1.11,503 0.752,504 1.083,505 1.05,506 1.127,507 0.666,508 1.128,509 0.704,510 1.001,511 0.962,512 1.005,513 0.665,514 1.012,515 0.896,516 0.854,517 0.987,518 0.902,519 0.94,520 0.94,521 1.13,522 1.049,523 1.081,524 1.057,525 0.944,526 1.068,527 5.5,528 0.148,529 3.556,530 1.875,531 1.636,532 0.778,533 0.623,534 0.358,535 0.147,536 0.176,537 15701,538 36720,539 2.18,540 47.5,541 2,542 20,545 1,546 3,547 2,550 1.729,551 2.09,552 3.711,553 -0.393,555 1,559 86.374,560 1.464,561 3.47,562 4.595,563 5.26,564 5.327,565 5.327,566 3.131,567 4.672,568 4.93,569 3.909,570 1817.64,571 8.565,572 27254.2,574 1,577 347.076,578 1.215,579 4.907,580 0.157,581 0.007,582 0.073,583 0.037,584 0.037,585 0.02,586 0.019,587 0.012,588 0.005,589 0.007,590 0.375,591 0.5,592 0.88,593 0.415,594 164.54,595 -0.002,596 -0.21,597 0.078,598 -0.069,599 -0.001,601 -0.034,602 -0.034,603 0.027,604 0.017,605 0.059,606 0.03,607 0.033,608 0.119,609 -0.066,610 0.028,611 0.033,612 -0.017,613 -0.04,614 -0.079,615 -0.093,616 -0.1,617 0.014,618 -0.105,619 -0.037,620 -0.129,621 -0.094,622 -0.123,623 -0.021,624 -0.118,625 0.042,626 -0.073,627 0.021,628 -0.036,629 0.009,630 -0.015,631 -0.014,632 0.106,633 0.011,634 0.045,635 -0.072,636 0.035,637 -0.112,638 -0.092,639 -0.096,640 -0.069,641 -0.109,642 -0.081,643 1.75,644 4.524,645 0.839,646 31.958,647 0.994,648 1.125,649 2.417,650 5.842,651 0.662,652 3.584,653 3.912,654 4.205,655 4.489,656 4.754,657 4.787,658 4.883,659 4.984,660 5.05,661 5.063,662 8.087,663 0.624,664 416.57,665 3.584,666 5.13,667 5.989,668 6.87,669 7.743,670 8.627,671 9.505,672 10.391,673 11.27,674 12.156,675 6.8,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 6,724 6,730 5,731 7,736 1,743 2,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 31,833 8,834 1,835 1,838 2,847 3.4,850 1,852 1,854 14.833,855 10.85,856 6.722,857 3.747,858 3.535,859 1.424,860 1.016,861 5.796,862 11.871,863 3.818,864 4.407,865 4.982,866 5.568,867 6.131,868 6.358,869 6.658,870 6.973,871 7.223,872 7.076,873 1,874 51,875 11.496,877 4.909,878 7.543,879 22.629,881 19.118,883 2.043,884 63.333,887 1,888 317.82,889 130.946,890 41.045,892 36.145,895 130.946,896 353.965,897 41.045,898 8.825,899 38.201,900 75.81,901 46.635,902 38.665,904 317.82,906 317.82,907 171.991,908 36.145,911 294.278,912 59.687,915 55.051,916 100.154,917 16.786,919 317.82,920 77.19,921 130.946,924 317.82,925 46.311,926 90.884,927 18.011,928 52.93,929 317.82,930 77.19,931 130.946,933 0.582,934 0.342,935 0.192,936 0.11,937 25,938 10,939 0.079,940 5,941 2,942 1.154,943 4.402,944 280.758,945 0.154,946 26,947 147.58,951 20.289,952 8.856,953 4.389,954 2.312,955 77.19,956 16.712,957 4.68,961 5.158,963 18.011,964 525.956,965 44.5,970 11.524,974 -0.084,975 58.665,976 66.394,977 0.249,978 0.59,979 0.781,980 0.894,981 0.906,982 0.906,983 5.064,984 1.606,985 5.964,986 5.292,987 4.595,988 5.094,989 2.452,990 6.77,991 4.52,992 6.251,993 1.524,994 7.514,995 4.498,996 4.111,997 4.89,998 1.738,999 7.653,1000 4.001,1001 7.552,1002 1.43,1003 9.164,1004 3.818,1005 6.18,1006 7.281,1007 3.301,1008 10.766,1009 6.027,1010 8.887,1011 1.209,1012 10.875,1013 3.473,1014 6.524,1015 7.934,1016 3.226,1017 12.512,1018 6.333,1019 10.257,1020 1,1021 12.627,1022 2.694,1023 8.043,1024 9.808,1025 4.5,1026 15.137,1027 7.815,1028 11.651,1029 0.887,1030 14.408,1031 2.275,1032 8.79,1033 10.882,1034 4.754,1035 17.243,1036 8.525,1037 13.066,1038 0.787,1039 16.211,1040 2.067,1041 10.075,1042 12.537,1043 5.815,1044 19.701,1045 9.777,1046 3.139,1047 0.113,1048 18.03,1049 1.875,1050 11.021,1051 13.82,1052 6.249,1053 21.957,1054 10.688,1055 3.054,1056 10.856,1057 19.862,1058 0.275,1059 12.208,1060 15.377,1061 7.175,1062 24.356,1063 11.843,1064 2.648,1065 10.248,1066 21.706,1067 4.474,1068 13.25,1069 16.762,1070 7.714,1071 26.675,1072 12.852,1073 2.393,1074 8.001,1075 23.557,1076 4.034,1077 14.397,1078 18.276,1079 8.557,1080 29.053,1081 13.968,1082 2.324,1083 6.903,1084 25.416,1085 3.249,1086 15.484,1087 19.712,1088 9.16,1089 31.399,1090 15.023,1091 2.044,1092 6.702,1093 27.28,1094 2.872,1095 16.617,1096 21.207,1097 9.952,1098 33.77,1099 16.126,1100 1.891,1101 5.734,1102 29.149,1103 2.735,1104 17.727,1105 22.668,1106 10.594,1107 36.128,1108 17.204,1109 14342,1110 22093,1111 24.156,1112 39.069,1113 52.047,1114 53.517,1115 53.269,1116 52.079,1117 52.101,1118 65.972,1119 9.327,1120 149.422,1121 50.159,1122 5.551,1123 5.662,1124 6.274,1125 5.217,1126 5.139,1127 7.474,1128 3.634,1129 18.031,1130 5.046,1131 11.04,1132 1.487,1133 1.529,1134 1.522,1135 1.488,1136 1.489,1137 1.885,1138 0.266,1139 4.269,1140 1.433,1141 4.095,1142 4.129,1143 4.053,1144 4.015,1145 7.429,1146 4.021,1147 3.983,1148 4.008,1149 3.933,1150 3.89,1151 4.984,1152 3.895,1153 3.802,1154 3.871,1155 3.692,1156 3.614,1157 4.84,1158 3.623,1159 3.565,1160 3.621,1161 3.463,1162 3.428,1163 4.443,1164 3.423,1165 3.504,1166 3.551,1167 3.407,1168 3.346,1169 4.305,1170 3.353,1171 3.408,1172 3.463,1173 3.262,1174 3.242,1175 4.283,1176 3.248,1177 3.111,1178 3.206,1179 2.983,1180 2.962,1181 4.016,1182 2.954,1183 3.105,1184 3.177,1185 2.866,1186 2.941,1187 3.916,1188 2.91,1189 0.13,1190 0.105,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.662,1197 0.058,1198 6.695,1199 0.31,1200 4.108,1201 0.087,1202 3.139,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.021,1209 2.128,1210 2.147,1211 1.37,1212 2.144,1213 1.94,1214 1.917,1215 2.055,1216 2.062,1217 1.272,1218 2.058,1219 1.759,1220 1.691,1221 1.952,1222 1.968,1223 1.171,1224 1.968,1225 1.546,1226 1.493,1227 1.771,1228 1.738,1229 0.996,1230 1.749,1231 1.485,1232 1.431,1233 1.717,1234 1.653,1235 0.825,1236 1.673,1237 1.379,1238 1.335,1239 1.586,1240 1.585,1241 0.808,1242 1.596,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.725,1248 1.429,1249 1.116,1250 1.046,1251 1.425,1252 1.308,1253 0.545,1254 1.35,1255 4.263,1257 5.587,1259 7.119,1261 8.747,1263 10.424,1265 2.04,1271 7.393,1272 2.892,1273 5.678,1276 5.03,1280 36.837,1281 86.374,1282 204.756,1283 271.102,1284 310.321,1285 314.321,1286 314.321,1287 42.447,1288 8.336,1289 57.7,1290 57.7,1291 30,1292 12.689,1293 4.248,1294 3.392,1295 44.065,1296 155,1297 133,1298 0.138,1299 222.435,1300 384.38,1301 534.502,1302 60547,1304 21.209,1305 0.684,1306 0.579,1307 21.209,1308 17.934,1309 15.17,1310 0.433,1311 0.316,1312 10.915,1313 14.644,1314 10.66,1315 8.771,1316 15.17,1317 11.055,1318 13.682,1319 0.279,1320 0.171,1321 13.682,1322 8.359,1323 11.709,1324 0.177,1325 0.094,1326 11.709,1327 6.2,1328 10.096,1329 0.115,1330 0.052,1331 10.096,1332 4.596,1333 8.591,1334 0.075,1335 0.029,1336 8.591,1337 3.347,1338 0.224,1339 94.508,1340 0.203,1341 29.722,1342 0.355,1343 168,1344 432.739,1345 182.361,1346 418.332,1347 584.51,1348 396,1349 199,1350 438.091,1351 214.749,1352 443.071,1353 652.57,1354 419,1355 9.4} {0 CHEMBL471047,1 1.447,2 13.156,3 3.91,4 15.287,5 126.868,6 6.945,7 0.472,8 4.219,9 4.345,10 3.746,11 3.753,12 5.217,13 3.723,14 4.804,15 4.998,16 4.128,17 4.164,18 5.733,19 4.121,20 5.068,21 5.276,22 4.253,23 4.375,24 6.03,25 4.302,26 5.191,27 5.414,28 4.143,29 4.443,30 6.044,31 4.316,32 5.278,33 5.549,34 4.028,35 4.425,36 6.026,37 4.26,38 5.18,39 5.459,40 3.941,41 4.314,42 5.925,43 4.149,44 5.075,45 5.342,46 3.87,47 4.194,48 5.865,49 4.049,50 4.992,51 5.253,52 3.737,53 4.113,54 5.769,55 3.958,56 0.033,57 0.917,58 13.847,59 5.746,60 8.246,61 7.955,62 0.275,63 1.541,64 26.943,65 9.177,66 22.081,67 13.311,68 0.503,69 1.939,70 35.697,71 12.261,72 46.008,73 17.662,74 0.339,75 2.074,76 40.427,77 15.546,78 42.17,79 21.877,80 0.442,81 2.147,82 45.577,83 16.862,84 45.52,85 24.495,86 0.317,87 1.973,88 41.156,89 15.147,90 40.232,91 22.346,92 0.377,93 1.766,94 37.38,95 13.007,96 43.033,97 18.98,98 0.486,99 1.612,100 34.566,101 11.805,102 40.983,103 17.199,104 17,105 52,106 0.232,107 0.551,108 0.773,109 0.876,110 0.887,111 0.887,112 3.502,113 0.948,114 -3.85,115 -3.81,116 -3.62,119 41.9,120 2,121 1,124 1,125 5,127 1,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 10,178 8,181 3,182 11,189 6,192 1,193 8,199 7,202 1,203 6,211 5,214 1,215 7,222 4,225 1,226 5,233 5,236 2,237 2,244 5,248 1,249 3,256 7,259 1656,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.578,266 27.679,267 12.502,268 22.186,269 17.726,270 17.726,271 17.726,272 17.726,273 17.726,274 14.378,275 37.247,276 5.879,277 18.471,278 4.507,279 2.518,280 1.133,281 0.488,282 0.424,283 0.424,284 4.212,288 1,289 1,290 936,291 2.828,295 429.743,299 287.278,302 2.021,303 22.414,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 421,316 4.553,317 3.8,318 6.743,319 4.128,320 3.172,321 4.474,322 2.055,323 10.93,324 3.052,325 4.465,326 3.32,327 6.701,328 4.116,329 3.151,330 4.077,331 0.933,332 10.882,333 3.023,334 3.93,335 3.184,336 6.078,337 3.767,338 2.825,339 3.257,340 0.8,341 8.782,342 2.656,343 3.825,344 3.022,345 5.93,346 3.529,347 2.551,348 3.077,349 0.8,350 8.099,351 2.488,352 3.689,353 2.676,354 5.728,355 3.384,356 2.439,357 2.836,358 0.51,359 7.686,360 2.303,361 3.367,362 2.45,363 5.05,364 3.011,365 2.046,366 2.641,368 5.76,369 1.972,370 3.242,371 2.257,372 4.971,373 2.886,374 1.889,375 2.439,377 5.553,378 1.875,379 3.03,380 2.107,381 4.583,382 2.579,383 1.618,384 2.254,386 4.555,387 1.561,388 2.915,389 1.672,390 4.364,391 2.514,392 1.569,393 2.075,395 4.088,396 1.471,397 2.776,398 1.601,399 4.191,400 2.438,401 1.467,402 1.845,404 3.763,405 1.42,406 2.512,407 1.471,408 4.014,409 2.382,410 1.404,411 1.511,413 3.416,414 1.369,415 2.357,416 1.425,417 3.652,418 2.16,419 1.209,420 1.343,422 2.757,423 1.139,424 2.244,425 1.232,426 3.377,427 1.836,428 0.861,429 1.155,431 2.042,432 0.838,433 1.819,434 0.934,435 3.272,436 1.632,437 0.661,438 0.744,440 1.608,441 0.64,442 1.619,443 0.791,444 2.819,445 1.231,446 0.26,447 0.318,449 0.584,450 0.247,451 15.267,452 0.477,453 0.836,454 0.026,455 40.5,456 1.266,457 19,458 0.594,459 21.5,460 0.672,461 30.554,462 0.955,463 34.533,464 0.557,465 30.038,466 0.939,467 7.856,468 0.246,469 7.652,470 0.239,471 0.12,473 0.373,479 0.785,480 1.48,481 0.824,482 1.186,483 0.606,484 1.035,485 1.135,486 1.106,487 0.884,488 0.879,489 0.636,490 0.842,491 1.09,492 0.988,493 1.043,494 0.951,495 0.904,496 0.97,497 1.015,498 1.146,499 1.144,500 1.195,501 0.932,502 1.193,503 0.819,504 0.972,505 1.004,506 1.011,507 0.654,508 1.031,509 0.626,510 1.02,511 0.943,512 1.046,513 0.642,514 1.032,515 1.046,516 1.01,517 1.04,518 1.012,519 0.943,520 1.024,521 1.171,522 0.954,523 1.156,524 0.985,525 0.91,526 1.059,527 6,528 0.14,529 4.667,530 2.375,531 2.138,532 1.118,533 0.769,534 0.472,535 0.352,536 0.245,537 15626,538 35669,539 2.135,540 48.4,542 22,546 3,547 5,550 1.741,551 2,552 3.635,553 -0.805,555 1,559 89.742,560 1.447,561 3.436,562 4.821,563 5.466,564 5.531,565 5.531,566 3.046,567 4.75,568 4.975,569 3.826,570 1897.62,571 8.676,572 28007.5,574 1,577 369.16,578 1.406,579 4.933,580 0.167,581 0.006,582 0.09,583 0.042,584 0.044,585 0.026,586 0.02,587 0.013,588 0.011,589 0.009,590 0.427,591 0.5,592 0.88,593 0.531,594 169.278,595 0.024,596 -0.28,597 0.087,598 -0.107,599 -0.017,600 -0.021,601 -0.032,602 0.037,603 0.095,604 0.102,605 0.041,606 0.115,607 0.033,608 0.122,609 -0.06,610 0.024,611 0.068,612 -0.014,613 -0.086,614 -0.138,615 -0.184,616 -0.177,617 -0.058,618 -0.193,619 -0.011,620 -0.033,621 -0.033,622 -0.018,623 -0.009,624 -0.029,625 0.043,626 -0.069,627 0.02,628 -0.061,629 0.002,630 -0.029,631 -0.06,632 -0.047,633 -0.048,634 -0.046,635 -0.085,636 -0.047,637 -0.072,638 0.015,639 -0.156,640 -0.024,641 -0.105,642 -0.091,643 1.668,644 4.947,645 0.813,646 31.625,647 0.993,648 1.126,649 2.621,650 6.871,651 0.659,652 3.611,653 3.97,654 4.29,655 4.564,656 4.836,657 4.905,658 5.024,659 5.13,660 5.252,661 5.278,662 7.628,663 0.619,664 430.6,665 3.611,666 5.176,667 6.052,668 6.946,669 7.835,670 8.731,671 9.624,672 10.521,673 11.414,674 12.312,675 6.5,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 62,716 18,717 2,718 36,720 66,721 26,722 15,723 6,724 6,730 5,731 7,736 2,740 1,743 2,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 3,827 32,833 6,835 1,837 1,838 3,847 3.2,850 1,852 1,854 16,855 12.133,856 6.889,857 3.889,858 3.534,859 1.419,860 0.998,861 5.789,862 11.966,863 3.839,864 4.443,865 5.035,866 5.605,867 6.17,868 6.415,869 6.736,870 7.045,871 7.33,872 7.236,873 0.889,874 57,875 11.875,877 5.074,878 7.536,879 23.351,881 19.754,883 2.036,884 65.167,887 1,888 353.133,889 143.527,890 26.158,892 36.145,895 143.527,896 389.278,897 26.158,898 26.047,899 18.674,900 75.81,901 46.635,902 38.665,904 353.133,906 353.133,907 169.686,908 36.145,911 294.278,912 95,915 44.35,916 108.551,917 16.786,919 353.133,920 62.303,921 143.527,924 353.133,925 41.671,926 111.23,928 52.93,929 353.133,930 62.303,931 143.527,933 0.592,934 0.359,935 0.194,936 0.109,937 27,938 12,939 0.061,940 4,941 2,942 1.154,943 4.317,944 303.18,945 0.154,946 26,947 158,951 21.234,952 8.723,953 4.107,954 2.292,955 62.303,956 16.813,957 4.7,961 5.234,964 558.964,965 45.5,970 11.947,974 -0.002,975 61.549,976 69.81,977 0.243,978 0.577,979 0.81,980 0.918,981 0.929,982 0.929,983 5.107,984 1.618,985 6.052,986 5.553,987 4.654,988 5.13,989 2.506,990 6.899,991 4.573,992 6.309,993 1.569,994 7.637,995 4.555,996 4.29,997 4.977,998 1.803,999 7.865,1000 4.165,1001 7.622,1002 1.467,1003 9.321,1004 4.088,1005 6.286,1006 7.323,1007 3.344,1008 10.986,1009 6.12,1010 8.969,1011 1.404,1012 11.064,1013 3.763,1014 6.735,1015 8.004,1016 3.307,1017 12.772,1018 6.52,1019 10.35,1020 1.209,1021 12.844,1022 3.416,1023 8.206,1024 9.852,1025 4.562,1026 15.416,1027 7.954,1028 11.753,1029 0.861,1030 14.649,1031 2.757,1032 9.028,1033 10.937,1034 4.855,1035 17.539,1036 8.728,1037 13.176,1038 0.661,1039 16.473,1040 2.042,1041 10.293,1042 12.579,1043 5.901,1044 20.017,1045 9.956,1046 3.172,1047 0.26,1048 18.31,1049 1.608,1050 11.287,1051 13.865,1052 6.37,1053 22.285,1054 10.904,1055 3.151,1056 10.93,1057 20.157,1058 0.584,1059 12.47,1060 15.416,1061 7.287,1062 24.703,1063 12.05,1064 2.825,1065 10.882,1066 22.014,1067 4.474,1068 13.542,1069 16.802,1070 7.856,1071 27.035,1072 13.08,1073 2.551,1074 8.782,1075 23.877,1076 4.077,1077 14.695,1078 18.312,1079 8.696,1080 29.432,1081 14.195,1082 2.439,1083 8.099,1084 25.745,1085 3.257,1086 15.804,1087 19.747,1088 9.324,1089 31.793,1090 15.262,1091 2.046,1092 7.686,1093 27.619,1094 3.077,1095 16.947,1096 21.241,1097 10.117,1098 34.183,1099 16.367,1100 1.889,1101 5.76,1102 29.496,1103 2.836,1104 18.073,1105 22.7,1106 10.781,1107 36.558,1108 17.454,1109 14426,1110 21942,1111 24.274,1112 40.83,1113 54.772,1114 55.923,1115 56.422,1116 54.271,1117 54.242,1118 68.094,1119 10.197,1120 161.009,1121 52.106,1122 5.553,1123 5.8,1124 6.272,1125 5.236,1126 5.172,1127 7.474,1128 3.661,1129 18.279,1130 5.052,1131 15.281,1132 1.521,1133 1.553,1134 1.567,1135 1.508,1136 1.507,1137 1.891,1138 0.283,1139 4.472,1140 1.447,1141 4.099,1142 4.133,1143 4.056,1144 4.017,1145 7.427,1146 4.023,1147 3.991,1148 4.017,1149 3.945,1150 3.895,1151 4.984,1152 3.902,1153 3.817,1154 3.882,1155 3.715,1156 3.64,1157 4.829,1158 3.649,1159 3.563,1160 3.611,1161 3.475,1162 3.421,1163 4.451,1164 3.416,1165 3.513,1166 3.563,1167 3.411,1168 3.351,1169 4.32,1170 3.371,1171 3.327,1172 3.395,1173 3.177,1174 3.175,1175 4.287,1176 3.165,1177 3.271,1178 3.36,1179 3.06,1180 3.102,1181 4.03,1182 3.08,1183 3.14,1184 3.227,1185 2.961,1186 2.953,1187 3.965,1188 2.94,1189 0.126,1190 0.106,1191 0.187,1192 0.115,1193 0.088,1194 4.553,1195 0.124,1196 3.8,1197 0.057,1198 6.743,1199 0.304,1200 4.128,1201 0.085,1202 3.172,1203 4.474,1204 2.055,1205 10.93,1206 3.052,1207 2.048,1208 2.022,1209 2.13,1210 2.149,1211 1.378,1212 2.146,1213 1.945,1214 1.921,1215 2.053,1216 2.071,1217 1.246,1218 2.064,1219 1.778,1220 1.713,1221 1.964,1222 1.975,1223 1.173,1224 1.975,1225 1.531,1226 1.482,1227 1.741,1228 1.723,1229 0.932,1230 1.727,1231 1.485,1232 1.437,1233 1.715,1234 1.66,1235 0.899,1236 1.684,1237 1.333,1238 1.268,1239 1.642,1240 1.532,1241 0.807,1242 1.574,1243 1.296,1244 1.214,1245 1.587,1246 1.509,1247 0.732,1248 1.54,1249 1.119,1250 1.043,1251 1.479,1252 1.415,1253 0.596,1254 1.441,1255 4.29,1257 5.638,1259 7.195,1261 8.848,1263 10.549,1265 6.166,1271 5.015,1273 5.804,1275 0.446,1276 6.75,1280 38.364,1281 89.742,1282 213.053,1283 298.896,1284 338.896,1285 342.896,1286 342.896,1287 46.735,1288 8.433,1289 48.91,1290 48.91,1291 30,1292 12.836,1293 4.248,1294 3.392,1295 45.979,1296 150,1297 134,1298 0.15,1299 232.027,1300 401.68,1301 557.907,1302 64263,1304 22.242,1305 0.695,1306 0.595,1307 22.242,1308 19.044,1309 15.508,1310 0.431,1311 0.316,1312 11.226,1313 14.95,1314 10.857,1315 8.975,1316 15.508,1317 11.377,1318 14.257,1319 0.274,1320 0.171,1321 14.257,1322 8.884,1323 12.663,1324 0.176,1325 0.094,1326 12.663,1327 6.773,1328 10.574,1329 0.111,1330 0.051,1331 10.574,1332 4.891,1333 8.923,1334 0.071,1335 0.028,1336 8.923,1337 3.528,1338 0.24,1339 96.714,1340 0.203,1341 30.073,1342 0.398,1343 176,1344 446.052,1345 191.055,1346 431.063,1347 605.37,1348 408,1349 212,1350 458.359,1351 229.247,1352 464.488,1353 686.03,1354 438,1355 8.801} {0 CHEMBL472117,1 1.862,2 14.457,3 5.311,4 28.204,5 115.812,6 9.063,7 0.513,8 4.171,9 4.285,10 3.875,11 3.608,12 5.363,13 3.665,14 4.781,15 4.943,16 4.394,17 4.004,18 6.58,19 4.065,20 4.958,21 5.166,22 4.351,23 4.136,24 6.324,25 4.132,26 5.018,27 5.23,28 4.259,29 4.158,30 6.203,31 4.141,32 5.01,33 5.25,34 4.145,35 4.081,36 6.121,37 4.048,38 5.013,39 5.242,40 4.232,41 3.99,42 6.419,43 3.997,44 4.836,45 5.077,46 3.91,47 3.875,48 5.999,49 3.839,50 4.843,51 5.089,52 3.894,53 3.804,54 6.094,55 3.798,56 0.404,57 1.303,58 7.453,59 4.751,60 57.751,61 4.964,62 1.745,63 2.576,64 20.235,65 7.793,66 267.728,67 8.498,68 1.459,69 1.988,70 27.023,71 9.075,72 115.126,73 12.287,74 1.422,75 2.206,76 29.967,77 11.927,78 175.939,79 14.233,80 1.41,81 1.995,82 33.364,83 11.09,84 139.533,85 14.619,86 1.944,87 2.113,88 33.523,89 10.381,90 173.064,91 12.398,92 1.412,93 1.725,94 28.383,95 9.689,96 195.737,97 11.358,98 1.647,99 1.721,100 30.667,101 9.228,102 234.946,103 10.094,104 41,105 59,106 0.305,107 0.604,108 0.69,109 0.787,110 0.811,111 0.829,112 3.588,113 0.832,114 -4.45,115 -4.38,116 -4.13,119 40,125 6,131 2,140 6,142 2,144 2,150 2,159 2,169 4,172 2,174 2,176 2,178 2,181 4,182 6,186 2,193 4,195 2,197 2,203 2,214 3,215 2,226 2,229 2,237 2,248 2,249 2,259 2171,260 22.908,261 22.908,262 22.908,263 22.908,264 22.908,265 20.75,266 26.22,267 13.02,268 23.973,269 19.289,270 19.289,271 19.289,272 19.289,273 19.289,274 15.86,275 33.451,276 6.202,277 21.234,278 3.919,279 2.094,280 1.568,281 0.973,282 0.827,283 0.718,284 4.289,289 1,290 1109,291 4.472,294 167.16,295 320.484,298 315.455,302 2.22,303 67.465,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 83,315 506,316 4.659,317 4.462,318 7.142,319 4.252,320 3.374,321 4.551,322 3.825,323 11.869,324 3.06,325 4.642,326 4.462,327 7.139,328 4.235,329 3.366,330 4.539,331 3.825,332 11.834,333 3.004,334 4.266,335 3.28,336 6.671,337 3.968,338 3.06,339 3.521,340 0.86,341 10.701,342 2.685,343 4.23,344 3.182,345 6.49,346 3.873,347 2.961,348 3.495,349 0.8,350 10.108,351 2.608,352 3.737,353 2.868,354 5.785,355 3.523,356 2.601,357 2.966,358 0.8,359 7.918,360 2.384,361 3.488,362 2.589,363 5.323,364 3.216,365 2.299,366 2.803,368 6.862,369 2.102,370 3.408,371 2.441,372 5.227,373 3.017,374 2.103,375 2.491,377 6.368,378 1.914,379 3.044,380 1.831,381 4.64,382 2.54,383 1.602,384 2.284,386 4.601,387 1.496,388 3.044,389 1.772,390 4.51,391 2.532,392 1.586,393 2.284,395 4.374,396 1.494,397 2.796,398 1.629,399 4.506,400 2.489,401 1.539,402 1.842,404 4.372,405 1.456,406 2.618,407 1.513,408 4.136,409 2.127,410 1.226,411 1.661,413 3.394,414 1.085,415 2.616,416 1.339,417 3.985,418 2.12,419 1.201,420 1.658,422 3.176,423 1.08,424 2.341,425 1.33,426 3.517,427 2.089,428 1.168,429 1.319,431 2.66,432 1.065,433 2,434 1.146,435 3.414,436 1.967,437 1,438 1,440 2.275,441 0.965,442 1.996,443 0.751,444 3.287,445 1.544,446 0.621,447 0.822,449 1.614,450 0.571,451 15.448,452 0.441,453 1.252,454 0.036,455 42,456 1.2,457 17,458 0.486,459 25,460 0.714,461 31.659,462 0.905,463 40.352,464 0.734,465 37.501,466 1.071,467 8.658,468 0.247,469 7.934,470 0.227,471 0.111,472 0.065,473 0.311,476 6,479 0.634,480 1.098,481 0.583,482 1.168,483 0.582,484 0.954,485 0.528,486 0.77,487 0.672,488 0.939,489 0.329,490 0.901,491 0.415,492 0.457,493 0.763,494 0.827,495 0.349,496 0.964,497 0.731,498 0.938,499 0.908,500 1.199,501 0.67,502 1.19,503 0.637,504 0.796,505 0.821,506 1.031,507 0.457,508 1.045,509 0.843,510 0.906,511 0.993,512 0.993,513 0.812,514 1.059,515 0.944,516 0.967,517 1.123,518 1.104,519 0.968,520 1.186,521 1.255,522 1.061,523 1.267,524 0.992,525 1.282,526 1.072,527 9.5,528 0.211,529 4.889,530 2.25,531 2.474,532 1.372,533 1.107,534 0.421,535 0.286,536 0.325,537 20831,538 83827,539 2.075,540 36.4,542 18,545 2,550 1.76,551 1.909,552 3.752,553 0.304,559 102.409,560 1.862,561 3.688,562 4.213,563 4.808,564 4.954,565 5.063,566 3.128,567 4.493,568 5.105,569 4.021,570 2392.44,571 8.92,572 39496.4,577 317.975,578 1.695,579 5.035,580 0.244,581 0.008,582 0.083,583 0.039,584 0.048,585 0.03,586 0.024,587 0.012,588 0.008,589 0.012,590 0.507,591 0.17,592 0.75,593 0.819,594 193.093,595 -0.071,596 -0.171,597 0.025,598 -0.106,599 -0.078,600 -0.016,601 0.308,602 0.207,603 0.131,604 0.042,605 0.455,606 0.004,607 0.222,608 0.274,609 0.087,610 0.094,611 0.166,612 0.015,613 -0.023,614 -0.143,615 -0.002,616 -0.187,617 -0.019,618 -0.122,619 -0.002,620 -0.157,621 0.142,622 -0.077,623 0.059,624 0.052,625 0.059,626 -0.065,627 0.02,628 -0.052,629 0.025,630 -0.05,631 -0.11,632 -0.099,633 -0.123,634 -0.111,635 -0.12,636 -0.119,637 -0.244,638 -0.096,639 -0.201,640 -0.009,641 -0.231,642 -0.038,643 5.829,644 5.051,645 0.686,646 38.831,647 1.052,648 1.171,649 3.219,650 10.365,651 0.65,652 3.689,653 4.094,654 4.344,655 4.615,656 4.883,657 5.03,658 5.094,659 5.187,660 5.193,661 5.298,662 8.793,663 0.662,664 498.48,665 3.689,666 5.283,667 6.146,668 7.059,669 7.945,670 8.857,671 9.752,672 10.663,673 11.562,674 12.474,675 10.9,678 1,681 1,683 2,685 2,687 4,688 6,689 2,690 2,693 4,695 20,709 1,712 1,714 55,716 20,717 2,718 39,720 59,721 22,722 14,723 6,724 6,730 5,731 7,736 2,742 2,745 14,746 8,762 6,764 20,765 11,766 2,767 13,770 2,773 6,777 0.6,778 1,792 2,793 3,796 2,815 1,819 3,825 6,827 35,833 6,835 1,838 2,839 2,846 6,847 1.8,852 1,854 18.333,855 9.824,856 7.222,857 3.242,858 4.02,859 1.464,860 1.036,861 6.162,862 12.69,863 3.912,864 4.57,865 5.189,866 5.826,867 6.366,868 6.75,869 7.052,870 7.389,871 7.336,872 7.445,873 1,874 57,875 13.996,877 7.154,878 8.452,879 23.617,881 19.907,883 2.952,884 103.333,888 211.88,889 108.73,890 73.391,892 11,893 89.761,895 108.73,896 222.88,897 163.151,899 15.121,900 56.857,901 38.227,902 152.869,903 4.288,904 211.88,905 15.519,906 211.88,907 182.121,908 100.761,911 211.88,912 100.761,915 76.279,916 72.27,917 33.571,919 301.641,920 84.391,921 108.73,924 227.399,925 36.353,926 63.106,927 33.571,928 134.332,929 211.88,930 174.151,931 108.73,933 0.607,934 0.338,935 0.173,936 0.102,937 31,938 14,939 0.085,940 5,941 2,942 1.167,943 4.569,944 335.36,945 0.167,946 24,947 166.015,951 23.927,952 9.014,953 4.968,954 0.966,955 140.58,956 9.668,957 7.398,958 4.587,961 -1.201,963 33.571,964 494.761,965 49,975 57.85,976 64.389,977 0.322,978 0.638,979 0.729,980 0.832,981 0.857,982 0.876,983 5.209,984 1.602,985 6.209,986 6.368,987 4.779,988 5.257,989 3.786,990 7.106,991 4.595,992 6.461,993 1.586,994 7.834,995 4.601,996 4.691,997 5.278,998 4.594,999 8.384,1000 4.291,1001 7.813,1002 1.539,1003 9.572,1004 4.374,1005 6.532,1006 7.546,1007 6.116,1008 11.39,1009 6.143,1010 9.202,1011 1.226,1012 11.376,1013 4.372,1014 7.216,1015 8.381,1016 7.383,1017 13.421,1018 6.613,1019 10.625,1020 1.201,1021 13.222,1022 3.394,1023 8.618,1024 10.187,1025 8.751,1026 16.038,1027 7.995,1028 12.069,1029 1.168,1030 15.095,1031 3.176,1032 9.604,1033 11.39,1034 10.082,1035 18.329,1036 8.802,1037 13.531,1038 1,1039 16.986,1040 2.66,1041 10.861,1042 13.017,1043 11.427,1044 20.831,1045 10.002,1046 3.374,1047 0.621,1048 18.891,1049 2.275,1050 11.969,1051 14.389,1052 12.767,1053 23.219,1054 10.964,1055 3.366,1056 11.869,1057 20.806,1058 1.614,1059 13.179,1060 15.944,1061 14.11,1062 25.686,1063 12.093,1064 3.06,1065 11.834,1066 22.729,1067 4.551,1068 14.337,1069 17.394,1070 15.451,1071 28.113,1072 13.125,1073 2.961,1074 10.701,1075 24.657,1076 4.539,1077 15.534,1078 18.921,1079 16.793,1080 30.57,1081 14.23,1082 2.601,1083 10.108,1084 26.591,1085 3.521,1086 16.714,1087 20.405,1088 18.134,1089 33.014,1090 15.296,1091 2.299,1092 7.918,1093 28.528,1094 3.495,1095 17.909,1096 21.922,1097 19.476,1098 35.471,1099 16.393,1100 2.103,1101 6.862,1102 30.468,1103 2.966,1104 19.1,1105 23.422,1106 20.818,1107 37.924,1108 17.476,1109 19460,1110 39343,1111 25.542,1112 35.728,1113 61.352,1114 59.473,1115 61.122,1116 60.878,1117 60.447,1118 75.889,1119 20.221,1120 187.019,1121 54.899,1122 5.659,1123 6.462,1124 6.721,1125 5.348,1126 5.374,1127 7.551,1128 5.335,1129 19.141,1130 5.06,1131 20.377,1132 1.573,1133 1.525,1134 1.567,1135 1.561,1136 1.55,1137 1.946,1138 0.518,1139 4.795,1140 1.408,1141 4.137,1142 4.18,1143 4.111,1144 4.002,1145 8.517,1146 4.022,1147 4.096,1148 4.136,1149 4.074,1150 3.964,1151 8.509,1152 3.985,1153 3.812,1154 3.887,1155 3.708,1156 3.604,1157 7.999,1158 3.617,1159 3.558,1160 3.603,1161 3.538,1162 3.322,1163 7.999,1164 3.36,1165 3.516,1166 3.561,1167 3.499,1168 3.296,1169 7.999,1170 3.332,1171 3.383,1172 3.445,1173 3.26,1174 3.179,1175 7.999,1176 3.182,1177 3.111,1178 3.206,1179 3.059,1180 2.941,1181 5.065,1182 2.91,1183 3.087,1184 3.151,1185 3.03,1186 2.806,1187 5.022,1188 2.829,1189 0.119,1190 0.114,1191 0.183,1192 0.109,1193 0.087,1194 4.659,1195 0.117,1196 4.462,1197 0.098,1198 7.142,1199 0.304,1200 4.252,1201 0.078,1202 3.374,1203 4.551,1204 3.825,1205 11.869,1206 3.06,1207 1.941,1208 1.908,1209 2.048,1210 2.08,1211 1.33,1212 2.074,1213 1.906,1214 1.884,1215 1.99,1216 2.016,1217 1.117,1218 2.008,1219 1.73,1220 1.662,1221 1.916,1222 1.925,1223 1.088,1224 1.925,1225 1.484,1226 1.431,1227 1.666,1228 1.79,1229 0.935,1230 1.721,1231 1.466,1232 1.414,1233 1.516,1234 1.77,1235 0.825,1236 1.696,1237 1.353,1238 1.287,1239 1.513,1240 1.601,1241 0.54,1242 1.606,1243 1.153,1244 1.064,1245 1.505,1246 1.376,1247 0.526,1248 1.429,1249 0.957,1250 0.902,1251 1.144,1252 1.245,1253 0.332,1254 1.188,1255 4.369,1257 5.753,1258 3.045,1259 7.31,1260 5.416,1261 8.945,1262 7.573,1263 10.62,1267 77.989,1271 3.222,1273 5.726,1276 4.109,1277 -9.131,1280 36.411,1281 102.409,1282 202.816,1283 231.736,1284 264.465,1285 272.465,1286 278.465,1287 78.706,1288 8.669,1289 73.07,1290 73.07,1291 28,1292 12.99,1293 4.392,1294 3.459,1295 52.705,1296 191,1297 141,1298 0.134,1299 213.367,1300 373.85,1301 512.375,1302 88702,1303 10.9,1304 24.794,1305 0.708,1306 0.519,1307 19.794,1308 18.172,1309 16.592,1310 0.425,1311 0.277,1312 10.505,1313 15.438,1314 10.48,1315 8.467,1316 14.17,1317 10.814,1318 16.914,1319 0.287,1320 0.138,1321 12.998,1322 8.169,1323 13.05,1324 0.172,1325 0.077,1326 11.072,1327 5.882,1328 10.698,1329 0.107,1330 0.042,1331 9.859,1332 4.16,1333 9.041,1334 0.069,1335 0.022,1336 7.985,1337 2.919,1338 0.219,1339 107.783,1340 0.198,1341 32.743,1342 0.347,1343 196,1344 959.648,1345 246.399,1346 754.863,1347 979.46,1348 700,1349 233,1350 686.525,1351 274.84,1352 648.594,1353 1002.32,1354 610,1355 9.26} {0 CHEMBL472289,1 1.464,2 13.968,3 3.532,4 12.478,5 122.45,6 7.061,7 0.486,8 4.176,9 4.299,10 3.718,11 3.711,12 5.181,13 3.685,14 4.756,15 4.948,16 4.09,17 4.119,18 5.702,19 4.079,20 5.01,21 5.215,22 4.183,23 4.318,24 5.983,25 4.242,26 5.099,27 5.327,28 4.041,29 4.351,30 5.959,31 4.217,32 5.152,33 5.425,34 3.903,35 4.283,36 5.914,37 4.122,38 4.992,39 5.26,40 3.756,41 4.136,42 5.754,43 3.975,44 4.869,45 5.145,46 3.635,47 4.001,48 5.586,49 3.838,50 4.784,51 5.057,52 3.552,53 3.875,54 5.527,55 3.728,56 0.025,57 0.878,58 12.923,59 5.408,60 6.987,61 7.414,62 0.271,63 1.473,64 25.366,65 8.613,66 20.891,67 12.357,68 0.489,69 1.823,70 33.327,71 11.635,72 44.597,73 16.539,74 0.262,75 1.893,76 36.528,77 14.427,78 38.531,79 20.296,80 0.361,81 1.878,82 40.455,83 14.851,84 44.085,85 21.467,86 0.343,87 1.649,88 34.12,89 12.244,90 36.177,91 17.985,92 0.273,93 1.471,94 30.132,95 10.845,96 25.835,97 16.025,98 0.282,99 1.288,100 28.223,101 9.774,102 29.214,103 14.174,104 10,105 50,106 0.237,107 0.546,108 0.741,109 0.849,110 0.855,111 0.855,112 3.471,113 0.938,114 -3.65,115 -3.62,116 -3.44,119 42.4,120 1,121 1,124 1,125 6,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 9,178 9,181 3,182 9,189 6,192 1,193 9,199 5,203 7,211 2,214 1,215 5,222 1,225 2,226 5,233 2,237 1,244 4,248 2,249 2,256 8,259 1546,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 19.054,266 27.583,267 12.262,268 21.648,269 17.254,270 17.254,271 17.254,272 17.254,273 17.254,274 13.919,275 36.049,276 5.817,277 18.008,278 4.419,279 2.509,280 1.3,281 0.636,282 0.602,283 0.602,284 4.184,288 1,289 1,290 967,291 2.739,295 431.644,299 288.194,302 2.104,303 21.071,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 433,316 4.551,317 3.792,318 6.695,319 4.108,320 3.139,321 4.474,322 2.055,323 10.856,324 3.046,325 4.396,326 3.28,327 6.608,328 4.064,329 3.112,330 3.983,331 0.933,332 10.419,333 2.958,334 3.86,335 3.058,336 5.808,337 3.599,338 2.658,339 3.249,340 0.8,341 8.004,342 2.515,343 3.817,344 2.884,345 5.639,346 3.494,347 2.515,348 3.119,349 0.8,350 7.483,351 2.442,352 3.537,353 2.67,354 5.353,355 3.294,356 2.35,357 2.736,358 0.51,359 6.89,360 2.216,361 3.401,362 2.482,363 5.151,364 3.049,365 2.068,366 2.638,368 6.152,369 2.026,370 3.301,371 2.313,372 4.959,373 2.965,374 1.993,375 2.462,377 5.724,378 1.925,379 3.028,380 2.247,381 4.619,382 2.655,383 1.736,384 2.243,386 4.696,387 1.582,388 2.985,389 1.652,390 4.558,391 2.574,392 1.597,393 2.112,395 4.49,396 1.559,397 2.774,398 1.478,399 4.036,400 2.398,401 1.418,402 1.842,404 3.466,405 1.386,406 2.279,407 1.387,408 3.581,409 1.967,410 1,411 1.217,413 2.355,414 0.965,415 2.233,416 1.156,417 3.414,418 1.961,419 0.99,420 1.151,422 2.275,423 0.956,424 2,425 1.146,426 3.376,427 1.83,428 0.856,429 1,431 2.039,432 0.832,433 1.786,434 0.917,435 3.239,436 1.614,437 0.645,438 0.719,440 1.577,441 0.623,442 1.613,443 0.756,444 2.807,445 1.21,446 0.242,447 0.298,449 0.54,450 0.228,451 14.767,452 0.476,453 0.763,454 0.025,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 27.166,462 0.876,463 33.233,464 0.563,465 28.965,466 0.934,467 7.861,468 0.254,469 7.219,470 0.233,471 0.09,473 0.352,479 0.784,480 1.479,481 0.805,482 1.175,483 0.585,484 1.019,485 1.159,486 1.078,487 0.903,488 0.865,489 0.636,490 0.838,491 1.073,492 0.975,493 1.067,494 0.96,495 0.93,496 0.991,497 0.817,498 1.16,499 1.102,500 1.23,501 0.9,502 1.211,503 0.87,504 0.959,505 0.971,506 0.984,507 0.683,508 0.994,509 0.787,510 1.044,511 1.056,512 1.059,513 0.785,514 1.085,515 0.626,516 0.994,517 1.006,518 1.067,519 0.482,520 1.074,521 1.092,522 0.991,523 0.993,524 0.966,525 0.889,526 0.972,527 6,528 0.161,529 4,530 1.938,531 2.067,532 0.778,533 0.582,534 0.406,535 0.221,536 0.204,537 15513,538 36080,539 2.16,540 47.5,542 23,546 3,547 2,550 1.729,551 2.044,552 3.728,553 -0.799,555 1,559 86.374,560 1.464,561 3.373,562 4.582,563 5.247,564 5.281,565 5.281,566 3.205,567 4.672,568 4.929,569 3.911,570 1818.51,571 8.562,572 27055,574 1,577 347.076,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.047,585 0.02,586 0.018,587 0.015,588 0.009,589 0.008,590 0.411,591 0.5,592 0.88,593 0.486,594 164.305,595 0.019,596 -0.29,597 0.088,598 -0.111,599 -0.008,600 -0.023,601 -0.058,602 0.064,603 0.066,604 0.106,605 0.037,606 0.106,607 0.02,608 0.12,609 -0.095,610 0.015,611 0.051,612 -0.037,613 -0.029,614 -0.17,615 -0.157,616 -0.208,617 -0.035,618 -0.202,619 -0.04,620 -0.04,621 0.01,622 0.008,623 -0.003,624 0.012,625 -0.011,626 -0.082,627 -0.084,628 -0.08,629 -0.073,630 -0.091,631 0.05,632 -0.023,633 -0.038,634 -0.096,635 -0.01,636 -0.08,637 -0.073,638 -0.067,639 0.01,640 0.002,641 -0.062,642 0.013,643 1.671,644 4.777,645 0.839,646 32.576,647 0.994,648 1.125,649 2.417,650 5.842,651 0.662,652 3.584,653 3.932,654 4.234,655 4.5,656 4.779,657 4.828,658 4.942,659 5.05,660 5.153,661 5.159,662 8.05,663 0.624,664 416.57,665 3.584,666 5.142,667 6.009,668 6.895,669 7.774,670 8.663,671 9.546,672 10.435,673 11.321,674 12.21,675 6.8,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 6,724 6,730 5,731 7,736 1,743 1,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 2,827 31,833 7,835 1,838 3,847 3.4,850 1,852 1,854 15.167,855 11.3,856 6.667,857 3.665,858 3.481,859 1.415,860 1.011,861 5.554,862 11.876,863 3.818,864 4.419,865 5.006,866 5.579,867 6.157,868 6.399,869 6.721,870 7.015,871 7.286,872 7.157,873 1,874 53,875 11.495,877 4.909,878 7.543,879 22.594,881 19.062,883 2.043,884 63.333,887 1,888 329.591,889 136.808,890 26.158,892 36.145,895 136.808,896 365.736,897 26.158,898 17.222,899 20.78,900 75.81,901 46.635,902 38.665,904 329.591,906 329.591,907 162.966,908 36.145,911 306.049,912 59.687,915 37.63,916 108.551,917 16.786,919 329.591,920 62.303,921 136.808,924 329.591,925 43.776,926 102.405,928 52.93,929 329.591,930 62.303,931 136.808,933 0.59,934 0.352,935 0.189,936 0.107,937 26,938 11,939 0.063,940 4,941 2,942 1.154,943 4.355,944 283.551,945 0.154,946 26,947 147.58,951 20.289,952 8.486,953 4.125,954 2.306,955 62.303,956 16.899,957 4.68,961 5.257,964 528.702,965 44.5,970 11.777,974 -0.004,975 58.665,976 66.394,977 0.249,978 0.573,979 0.779,980 0.892,981 0.898,982 0.898,983 5.077,984 1.736,985 5.999,986 5.724,987 4.615,988 5.106,989 2.506,990 6.821,991 4.533,992 6.274,993 1.597,994 7.566,995 4.696,996 4.205,997 4.934,998 1.803,999 7.732,1000 4.078,1001 7.582,1002 1.418,1003 9.23,1004 4.49,1005 6.225,1006 7.298,1007 3.344,1008 10.839,1009 6.059,1010 8.923,1011 1,1012 10.953,1013 3.466,1014 6.621,1015 7.957,1016 3.307,1017 12.58,1018 6.41,1019 10.297,1020 0.99,1021 12.713,1022 2.355,1023 8.109,1024 9.817,1025 4.562,1026 15.212,1027 7.862,1028 11.693,1029 0.856,1030 14.5,1031 2.275,1032 8.887,1033 10.883,1034 4.855,1035 17.307,1036 8.596,1037 13.109,1038 0.645,1039 16.306,1040 2.039,1041 10.158,1042 12.531,1043 5.901,1044 19.774,1045 9.832,1046 3.139,1047 0.242,1048 18.129,1049 1.577,1050 11.123,1051 13.806,1052 6.37,1053 22.024,1054 10.754,1055 3.112,1056 10.856,1057 19.963,1058 0.54,1059 12.305,1060 15.36,1061 7.287,1062 24.429,1063 11.901,1064 2.658,1065 10.419,1066 21.808,1067 4.474,1068 13.358,1069 16.74,1070 7.856,1071 26.746,1072 12.914,1073 2.515,1074 8.004,1075 23.661,1076 3.983,1077 14.507,1078 18.252,1079 8.696,1080 29.129,1081 14.026,1082 2.35,1083 7.483,1084 25.521,1085 3.249,1086 15.602,1087 19.685,1088 9.324,1089 31.475,1090 15.083,1091 2.068,1092 6.89,1093 27.387,1094 3.119,1095 16.739,1096 21.18,1097 10.117,1098 33.85,1099 16.183,1100 1.993,1101 6.152,1102 29.257,1103 2.736,1104 17.855,1105 22.64,1106 10.781,1107 36.209,1108 17.261,1109 14214,1110 21825,1111 23.868,1112 39.069,1113 52.983,1114 54.067,1115 54.07,1116 52.678,1117 52.64,1118 66.488,1119 10.197,1120 153.932,1121 50.516,1122 5.551,1123 5.792,1124 6.215,1125 5.217,1126 5.139,1127 7.474,1128 3.661,1129 18.031,1130 5.046,1131 13.384,1132 1.514,1133 1.545,1134 1.545,1135 1.505,1136 1.504,1137 1.9,1138 0.291,1139 4.398,1140 1.443,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 7.427,1146 4.021,1147 3.988,1148 4.014,1149 3.941,1150 3.893,1151 4.984,1152 3.899,1153 3.793,1154 3.861,1155 3.686,1156 3.601,1157 4.833,1158 3.612,1159 3.582,1160 3.63,1161 3.495,1162 3.423,1163 4.443,1164 3.426,1165 3.504,1166 3.555,1167 3.401,1168 3.368,1169 4.323,1170 3.378,1171 3.279,1172 3.347,1173 3.14,1174 3.109,1175 4.247,1176 3.107,1177 3.151,1178 3.235,1179 2.967,1180 2.949,1181 4.028,1182 2.936,1183 3.111,1184 3.206,1185 2.92,1186 2.941,1187 3.948,1188 2.91,1189 0.13,1190 0.108,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.792,1197 0.059,1198 6.695,1199 0.31,1200 4.108,1201 0.087,1202 3.139,1203 4.474,1204 2.055,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.943,1214 1.919,1215 2.052,1216 2.067,1217 1.243,1218 2.061,1219 1.747,1220 1.679,1221 1.939,1222 1.96,1223 1.157,1224 1.958,1225 1.539,1226 1.491,1227 1.746,1228 1.739,1229 0.943,1230 1.743,1231 1.493,1232 1.445,1233 1.713,1234 1.652,1235 0.825,1236 1.676,1237 1.267,1238 1.202,1239 1.546,1240 1.475,1241 0.807,1242 1.5,1243 1.153,1244 1.064,1245 1.513,1246 1.422,1247 0.711,1248 1.445,1249 1.125,1250 1.042,1251 1.477,1252 1.376,1253 0.597,1254 1.429,1255 4.263,1257 5.602,1259 7.148,1261 8.786,1263 10.472,1265 3.841,1271 6.269,1273 5.628,1276 6.682,1280 36.837,1281 86.374,1282 199.028,1283 270.347,1284 309.566,1285 311.566,1286 311.566,1287 42.582,1288 8.395,1289 48.91,1290 48.91,1291 30,1292 12.74,1293 4.248,1294 3.392,1295 44.087,1296 154,1297 131,1298 0.139,1299 222.435,1300 384.38,1301 534.502,1302 62666,1304 21.372,1305 0.689,1306 0.586,1307 21.372,1308 18.174,1309 15.081,1310 0.431,1311 0.313,1312 10.79,1313 14.515,1314 10.48,1315 8.634,1316 15.081,1317 10.943,1318 13.812,1319 0.276,1320 0.168,1321 13.812,1322 8.419,1323 12.161,1324 0.179,1325 0.094,1326 12.161,1327 6.389,1328 10.042,1329 0.113,1330 0.05,1331 10.042,1332 4.493,1333 8.611,1334 0.073,1335 0.028,1336 8.611,1337 3.303,1338 0.227,1339 94.186,1340 0.205,1341 29.674,1342 0.36,1343 170,1344 440.052,1345 184.722,1346 424.663,1347 594.29,1348 402,1349 203,1350 447.006,1351 219.581,1352 452.936,1353 667.24,1354 427,1355 8.3} {0 CHEMBL472290,1 1.447,2 13.375,3 3.881,4 15.064,5 127.198,6 6.945,7 0.472,8 4.219,9 4.345,10 3.746,11 3.753,12 5.209,13 3.723,14 4.804,15 4.998,16 4.115,17 4.158,18 5.732,19 4.112,20 5.066,21 5.284,22 4.232,23 4.355,24 6.006,25 4.281,26 5.142,27 5.356,28 4.152,29 4.416,30 6.018,31 4.298,32 5.242,33 5.497,34 4.037,35 4.403,36 6.052,37 4.251,38 5.169,39 5.446,40 3.887,41 4.274,42 5.917,43 4.107,44 5.019,45 5.294,46 3.741,47 4.1,48 5.774,49 3.945,50 4.878,51 5.148,52 3.632,53 3.996,54 5.62,55 3.838,56 0.033,57 0.917,58 13.847,59 5.746,60 7.155,61 7.955,62 0.273,63 1.539,64 26.938,65 9.173,66 21.429,67 13.311,68 0.522,69 1.914,70 35.919,71 12.17,72 43.865,73 17.613,74 0.292,75 1.983,76 38.179,77 14.997,78 37.381,79 20.937,80 0.45,81 2.082,82 43.776,83 16.079,84 50.319,85 23.066,86 0.36,87 1.926,88 41.007,89 14.735,90 40.227,91 21.634,92 0.397,93 1.646,94 35.694,95 12.073,96 39.993,97 17.725,98 0.409,99 1.439,100 30.828,101 10.671,102 32.412,103 15.69,104 11,105 51,106 0.232,107 0.531,108 0.726,109 0.847,110 0.857,111 0.857,112 3.502,113 0.96,114 -3.85,115 -3.81,116 -3.62,119 41.9,120 2,121 1,125 7,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 10,178 8,181 3,182 10,189 6,192 1,193 9,199 7,202 1,203 7,211 4,214 1,215 7,222 3,225 1,226 3,233 2,236 2,237 2,244 4,248 1,249 3,256 6,259 1648,260 22.093,261 22.093,262 22.093,263 22.093,264 22.093,265 19.949,266 27.679,267 12.843,268 22.6,269 17.695,270 17.695,271 17.695,272 17.695,273 17.695,274 14.361,275 35.479,276 5.955,277 18.474,278 4.507,279 2.639,280 1.428,281 0.67,282 0.605,283 0.605,284 4.215,288 1,289 1,290 950,291 2.915,295 430.738,299 288.659,302 2.016,303 22.164,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 428,316 4.551,317 3.813,318 6.786,319 4.141,320 3.188,321 4.474,322 2.055,323 11.136,324 3.046,325 4.473,326 3.281,327 6.695,328 4.108,329 3.139,330 4.081,331 0.933,332 10.856,333 3.035,334 3.865,335 3.183,336 6.009,337 3.609,338 2.663,339 3.249,340 0.8,341 8.428,342 2.539,343 3.843,344 2.875,345 5.807,346 3.539,347 2.574,348 3.099,349 0.8,350 8,351 2.456,352 3.53,353 2.65,354 5.331,355 3.297,356 2.358,357 2.735,358 0.51,359 6.888,360 2.213,361 3.344,362 2.49,363 5.045,364 3.007,365 2.043,366 2.521,368 5.742,369 1.967,370 3.227,371 2.258,372 4.959,373 2.872,374 1.879,375 2.408,377 5.533,378 1.855,379 3.028,380 2.099,381 4.56,382 2.581,383 1.618,384 2.242,386 4.499,387 1.562,388 2.916,389 1.653,390 4.388,391 2.513,392 1.571,393 2.076,395 4.142,396 1.465,397 2.777,398 1.544,399 4.036,400 2.4,401 1.418,402 1.845,404 3.464,405 1.388,406 2.511,407 1.472,408 3.765,409 2.278,410 1.301,411 1.499,413 2.928,414 1.261,415 2.256,416 1.258,417 3.414,418 1.967,419 1,420 1.168,422 2.275,423 0.965,424 2,425 1.146,426 3.379,427 1.85,428 0.871,429 1,431 2.046,432 0.851,433 1.924,434 0.939,435 3.276,436 1.707,437 0.739,438 0.836,440 1.656,441 0.711,442 1.69,443 0.821,444 2.997,445 1.472,446 0.524,447 0.58,449 1.062,450 0.492,451 15.267,452 0.477,453 0.709,454 0.022,455 40.5,456 1.266,457 19,458 0.594,459 21.5,460 0.672,461 29.739,462 0.929,463 34.533,464 0.557,465 29.593,466 0.925,467 7.853,468 0.245,469 7.783,470 0.243,471 0.087,473 0.341,479 0.785,480 1.48,481 0.824,482 1.186,483 0.587,484 1.035,485 1.139,486 1.136,487 0.914,488 0.915,489 0.647,490 0.878,491 1.092,492 0.91,493 1.002,494 0.879,495 0.922,496 0.905,497 0.983,498 1.17,499 1.102,500 1.212,501 0.919,502 1.185,503 1.012,504 1.027,505 1.087,506 1.068,507 1.037,508 1.089,509 0.818,510 1.037,511 1.014,512 1.064,513 0.713,514 1.063,515 1.128,516 0.966,517 1.068,518 0.974,519 1.009,520 1.007,521 0.964,522 0.961,523 1.064,524 0.974,525 0.821,526 1.024,527 5.5,528 0.149,529 4.222,530 2.188,531 1.987,532 1.042,533 0.624,534 0.375,535 0.25,536 0.209,537 16062,538 36217,539 2.154,540 48.4,542 22,546 3,547 5,550 1.739,551 2.043,552 3.666,553 -0.805,555 1,559 89.742,560 1.447,561 3.315,562 4.526,563 5.285,564 5.349,565 5.349,566 3.061,567 4.563,568 4.976,569 3.864,570 1916.49,571 8.668,572 28778.9,574 1,577 369.16,578 1.317,579 4.943,580 0.153,581 0.006,582 0.083,583 0.039,584 0.04,585 0.024,586 0.017,587 0.012,588 0.009,589 0.008,590 0.391,591 0.5,592 0.88,593 0.633,594 170.198,595 0.024,596 -0.28,597 0.087,598 -0.107,599 -0.003,600 -0.021,601 -0.037,602 0.007,603 0.065,604 0.065,605 0.031,606 0.078,607 0.038,608 0.187,609 -0.012,610 0.089,611 0.055,612 0.049,613 -0.054,614 -0.16,615 -0.146,616 -0.182,617 -0.017,618 -0.179,619 -0.059,620 -0.072,621 -0.108,622 -0.074,623 -0.081,624 -0.096,625 -0.005,626 -0.092,627 -0.037,628 -0.089,629 -0.026,630 -0.071,631 -0.09,632 -0.013,633 -0.066,634 -0.022,635 -0.115,636 -0.039,637 0.011,638 -0.002,639 -0.071,640 -0.01,641 -0.04,642 -0.048,643 1.632,644 5.135,645 0.813,646 31.875,647 0.993,648 1.126,649 2.621,650 6.871,651 0.659,652 3.611,653 3.951,654 4.277,655 4.564,656 4.828,657 4.883,658 4.997,659 5.106,660 5.198,661 5.226,662 7.873,663 0.619,664 430.6,665 3.611,666 5.165,667 6.038,668 6.929,669 7.815,670 8.709,671 9.599,672 10.494,673 11.386,674 12.281,675 6.5,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 62,716 18,717 2,718 36,720 66,721 26,722 15,723 6,724 6,730 5,731 7,736 2,743 1,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 2,827 32,833 8,835 1,838 3,847 3.2,850 1,852 1,854 15.667,855 11.8,856 7.028,857 4.072,858 3.568,859 1.421,860 1.006,861 6.03,862 12.045,863 3.839,864 4.431,865 5.029,866 5.613,867 6.172,868 6.413,869 6.728,870 7.039,871 7.295,872 7.183,873 0.889,874 56,875 11.885,877 5.062,878 7.526,879 23.411,881 19.721,883 2.026,884 64.833,887 1,888 353.133,889 139.343,890 26.158,892 36.145,895 139.343,896 389.278,897 26.158,898 17.65,899 22.885,900 75.81,901 46.635,902 38.665,904 353.133,906 353.133,907 165.501,908 36.145,911 294.278,912 95,915 48.561,916 100.154,917 16.786,919 353.133,920 62.303,921 139.343,924 353.133,925 45.882,926 102.833,928 52.93,929 353.133,930 62.303,931 139.343,933 0.582,934 0.357,935 0.201,936 0.111,937 26,938 11,939 0.076,940 5,941 2,942 1.154,943 4.369,944 299.626,945 0.154,946 26,947 154,951 21.234,952 9.088,953 4.228,954 2.299,955 62.303,956 16.858,957 4.687,961 5.311,964 554.779,965 45.5,970 12.135,974 0.034,975 61.549,976 69.81,977 0.243,978 0.557,979 0.76,980 0.888,981 0.898,982 0.898,983 5.095,984 1.618,985 6.023,986 5.533,987 4.635,988 5.118,989 2.506,990 6.862,991 4.552,992 6.287,993 1.571,994 7.597,995 4.499,996 4.205,997 4.934,998 1.803,999 7.825,1000 4.078,1001 7.595,1002 1.418,1003 9.273,1004 4.142,1005 6.252,1006 7.311,1007 3.344,1008 10.947,1009 6.084,1010 8.939,1011 1.301,1012 11.01,1013 3.464,1014 6.661,1015 7.984,1016 3.307,1017 12.756,1018 6.447,1019 10.319,1020 1,1021 12.786,1022 2.928,1023 8.159,1024 9.843,1025 4.562,1026 15.399,1027 7.908,1028 11.722,1029 0.871,1030 14.591,1031 2.275,1032 8.96,1033 10.928,1034 4.855,1035 17.55,1036 8.665,1037 13.146,1038 0.739,1039 16.415,1040 2.046,1041 10.238,1042 12.574,1043 5.901,1044 20.034,1045 9.907,1046 3.188,1047 0.524,1048 18.255,1049 1.656,1050 11.224,1051 13.862,1052 6.37,1053 22.326,1054 10.851,1055 3.139,1056 11.136,1057 20.107,1058 1.062,1059 12.415,1060 15.415,1061 7.287,1062 24.754,1063 12.005,1064 2.663,1065 10.856,1066 21.969,1067 4.474,1068 13.487,1069 16.802,1070 7.856,1071 27.106,1072 13.036,1073 2.574,1074 8.428,1075 23.838,1076 4.081,1077 14.645,1078 18.313,1079 8.696,1080 29.515,1081 14.157,1082 2.358,1083 8,1084 25.713,1085 3.249,1086 15.757,1087 19.748,1088 9.324,1089 31.893,1090 15.228,1091 2.043,1092 6.888,1093 27.593,1094 3.099,1095 16.905,1096 21.242,1097 10.117,1098 34.295,1099 16.338,1100 1.879,1101 5.742,1102 29.477,1103 2.735,1104 18.035,1105 22.702,1106 10.781,1107 36.684,1108 17.429,1109 14825,1110 22397,1111 24.561,1112 40.83,1113 53.954,1114 55.256,1115 55.895,1116 53.764,1117 53.771,1118 67.627,1119 10.197,1120 157.305,1121 51.613,1122 5.551,1123 5.813,1124 6.324,1125 5.25,1126 5.188,1127 7.474,1128 3.661,1129 18.5,1130 5.046,1131 13.595,1132 1.499,1133 1.535,1134 1.553,1135 1.493,1136 1.494,1137 1.879,1138 0.283,1139 4.37,1140 1.434,1141 4.097,1142 4.131,1143 4.055,1144 4.016,1145 7.427,1146 4.022,1147 3.995,1148 4.02,1149 3.949,1150 3.897,1151 4.984,1152 3.904,1153 3.791,1154 3.861,1155 3.683,1156 3.599,1157 4.827,1158 3.61,1159 3.592,1160 3.648,1161 3.495,1162 3.425,1163 4.441,1164 3.429,1165 3.511,1166 3.564,1167 3.406,1168 3.394,1169 4.305,1170 3.394,1171 3.34,1172 3.407,1173 3.181,1174 3.172,1175 4.274,1176 3.161,1177 3.322,1178 3.387,1179 3.136,1180 3.124,1181 4.095,1182 3.12,1183 3.111,1184 3.206,1185 2.939,1186 2.952,1187 3.967,1188 2.938,1189 0.126,1190 0.106,1191 0.188,1192 0.115,1193 0.089,1194 4.551,1195 0.124,1196 3.813,1197 0.057,1198 6.786,1199 0.309,1200 4.141,1201 0.085,1202 3.188,1203 4.474,1204 2.055,1205 11.136,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.359,1212 2.144,1213 1.946,1214 1.923,1215 2.053,1216 2.073,1217 1.25,1218 2.066,1219 1.746,1220 1.677,1221 1.943,1222 1.96,1223 1.166,1224 1.959,1225 1.559,1226 1.501,1227 1.816,1228 1.76,1229 1.023,1230 1.779,1231 1.515,1232 1.464,1233 1.732,1234 1.661,1235 0.85,1236 1.687,1237 1.338,1238 1.264,1239 1.625,1240 1.568,1241 0.825,1242 1.586,1243 1.3,1244 1.248,1245 1.548,1246 1.517,1247 0.801,1248 1.538,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.699,1254 1.429,1255 4.29,1257 5.624,1259 7.172,1261 8.82,1263 10.516,1265 4.045,1271 6.801,1273 5.839,1276 6.824,1280 38.364,1281 89.742,1282 205.543,1283 280.631,1284 327.65,1285 331.65,1286 331.65,1287 45.975,1288 8.477,1289 48.91,1290 48.91,1291 30,1292 12.807,1293 4.248,1294 3.392,1295 46.064,1296 156,1297 136,1298 0.144,1299 232.027,1300 401.68,1301 557.907,1302 69036,1304 22.079,1305 0.69,1306 0.59,1307 22.079,1308 18.881,1309 15.635,1310 0.434,1311 0.32,1312 11.377,1313 15.073,1314 11.073,1315 9.121,1316 15.635,1317 11.525,1318 13.941,1319 0.273,1320 0.168,1321 13.941,1322 8.567,1323 12.384,1324 0.174,1325 0.093,1326 12.384,1327 6.582,1328 10.717,1329 0.113,1330 0.051,1331 10.717,1332 4.848,1333 8.975,1334 0.072,1335 0.028,1336 8.975,1337 3.48,1338 0.233,1339 97.431,1340 0.202,1341 30.218,1342 0.379,1343 174,1344 444.052,1345 189.055,1346 428.023,1347 601.99,1348 406,1349 209,1350 455.359,1351 226.08,1352 459.058,1353 681,1354 435,1355 9.699} {0 CHEMBL476838,1 1.598,2 14.484,3 4.11,4 16.892,5 117.031,6 7.209,7 0.364,8 4.181,9 4.293,10 3.701,11 3.65,12 5.293,13 3.635,14 4.754,15 4.927,16 4.013,17 4.044,18 5.886,19 4.005,20 5.028,21 5.236,22 4.138,23 4.228,24 6.076,25 4.157,26 5.146,27 5.364,28 4.095,29 4.264,30 6.178,31 4.167,32 5.194,33 5.438,34 4.031,35 4.248,36 6.165,37 4.134,38 5.121,39 5.363,40 3.968,41 4.208,42 6.058,43 4.087,44 5.125,45 5.381,46 3.841,47 4.141,48 6.049,49 4,50 5.049,51 5.336,52 3.663,53 3.973,54 6.042,55 3.813,56 0.174,57 0.881,58 13.101,59 5.939,60 17.875,61 7.574,62 0.499,63 1.396,64 25.798,65 9.555,66 72.1,67 12.578,68 0.713,69 1.679,70 34.973,71 12.502,72 72.258,73 17.191,74 0.715,75 1.736,76 40.026,77 14.007,78 94.186,79 19.365,80 0.939,81 1.786,82 43.583,83 14.275,84 105.043,85 20.085,86 0.788,87 1.771,88 39.906,89 13.602,90 88.346,91 19.09,92 0.803,93 1.719,94 40.897,95 13.472,96 99.78,97 18.949,98 1.048,99 1.547,100 39.749,101 11.938,102 137.362,103 17.33,104 37,105 44,106 0.261,107 0.566,108 0.782,109 0.84,110 0.847,111 0.847,112 3.471,113 0.957,114 -4.5,115 -4.43,116 -4.17,119 38.3,121 3,122 1,124 1,125 5,127 1,140 7,141 2,142 3,164 2,169 10,171 1,172 7,176 2,178 10,181 1,182 12,186 3,189 8,193 10,195 1,197 1,199 5,203 9,206 2,208 1,211 6,215 5,222 7,225 2,226 1,231 1,233 7,236 3,237 1,242 1,244 4,249 3,254 2,256 4,259 1726,260 21.068,261 21.068,262 21.068,263 21.068,264 21.068,265 19.313,266 26.776,267 12.612,268 21.633,269 16.143,270 16.143,271 16.143,272 16.143,273 16.143,274 13.464,275 29.422,276 5.787,277 16.978,278 4.309,279 2.438,280 1.111,281 0.758,282 0.713,283 0.713,284 4.154,288 1,289 1,290 937,291 3.937,295 354.589,302 2.308,303 42.395,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 69.5,315 449,316 4.434,317 3.778,318 6.741,319 4.115,320 3.15,321 4.058,322 2.612,323 10.93,324 3.039,325 4.255,326 3.469,327 6.042,328 3.766,329 2.79,330 3.951,331 0.86,332 8.564,333 2.725,334 3.823,335 3.008,336 5.929,337 3.671,338 2.716,339 3.237,340 0.86,341 8.229,342 2.59,343 3.769,344 2.847,345 5.416,346 3.414,347 2.459,348 2.934,349 0.8,350 7.111,351 2.362,352 3.453,353 2.643,354 5.258,355 3.236,356 2.28,357 2.537,358 0.765,359 6.628,360 2.156,361 3.099,362 2.374,363 5.091,364 2.871,365 1.925,366 2.177,368 5.845,369 1.816,370 2.937,371 2.03,372 4.25,373 2.472,374 1.531,375 2.087,377 3.644,378 1.439,379 2.917,380 1.965,381 3.802,382 2.359,383 1.441,384 2.033,386 3.021,387 1.306,388 2.504,389 1.872,390 3.733,391 2.286,392 1.293,393 1.504,395 2.901,396 1.27,397 2.5,398 1.456,399 3.447,400 2,401 1.048,402 1.5,404 2.331,405 1,406 2.157,407 1.09,408 3.414,409 1.984,410 1,411 1.134,413 2.275,414 0.983,415 2,416 1.077,417 3.414,418 1.971,419 1,420 1,422 2.275,423 0.956,424 1.821,425 1,426 3.172,427 1.645,428 0.692,429 0.761,431 1.552,432 0.654,433 1.65,434 1,435 2.913,436 1.408,437 0.507,438 0.563,440 0.979,441 0.452,442 1.322,443 0.981,444 2.465,445 1.046,446 0.23,447 0.245,449 0.336,450 0.184,451 14.252,452 0.46,453 0.644,454 0.021,455 35.5,456 1.145,457 16,458 0.516,459 19.5,460 0.629,461 29.423,462 0.949,463 36.148,464 0.602,465 28.081,466 0.906,467 7.095,468 0.229,469 7.934,470 0.256,471 0.125,473 0.302,474 1,479 0.617,480 1.208,481 0.792,482 1.218,483 0.587,484 1.086,485 0.946,486 1.039,487 0.975,488 1.04,489 0.657,490 1.01,491 0.722,492 0.953,493 0.92,494 1.079,495 0.566,496 1.047,497 0.819,498 0.97,499 0.996,500 1.161,501 0.74,502 1.137,503 0.863,504 0.86,505 0.971,506 0.964,507 0.707,508 0.998,509 0.788,510 1.011,511 1.008,512 1.089,513 0.606,514 1.105,515 0.874,516 0.988,517 1.046,518 1.065,519 0.804,520 1.102,521 0.854,522 0.907,523 0.967,524 0.868,525 0.939,526 0.938,527 5.5,528 0.149,529 3.778,530 1.813,531 1.738,532 1.153,533 0.525,534 0.403,535 0.32,536 0.191,537 13787,538 44227,539 2.012,540 48.3,542 21,545 1,547 7,550 1.731,551 1.879,552 3.769,553 -0.329,555 1,559 95.88,560 1.598,561 3.469,562 4.796,563 5.148,564 5.194,565 5.194,566 3.229,567 4.543,568 4.921,569 3.972,570 1846.82,571 8.569,572 27848.7,574 1,577 354.413,578 1.418,579 4.881,580 0.167,581 0.006,582 0.086,583 0.038,584 0.039,585 0.028,586 0.014,587 0.013,588 0.012,589 0.007,590 0.41,591 0.17,592 1,593 1.23,594 165.01,595 0.073,596 -0.05,597 0.049,598 -0.026,599 -0.014,600 -0.008,601 -0.069,602 0.053,603 -0.055,604 0.038,605 0.054,606 0.009,607 0.06,608 0.034,609 0.002,610 -0.038,611 0.066,612 -0.026,613 -0.022,614 -0.129,615 -0.066,616 -0.144,617 -0.005,618 -0.122,619 -0.023,620 -0.035,621 -0.013,622 0.012,623 -0.017,625 -0.002,626 -0.079,627 -0.065,628 -0.085,629 0.002,630 -0.091,631 -0.047,632 -0.095,633 -0.084,634 -0.091,635 -0.059,636 -0.103,637 0.063,638 0.057,639 0.037,640 0.067,641 0.008,642 0.044,643 2.391,644 4.989,645 0.581,646 37.775,647 1.012,648 1.137,649 3.27,650 10.693,651 0.631,652 3.526,653 3.807,654 4.06,655 4.248,656 4.454,657 4.466,658 4.5,659 4.533,660 4.663,661 4.654,662 8.263,663 0.606,664 432.54,665 3.526,666 5.043,667 5.878,668 6.732,669 7.585,670 8.446,671 9.305,672 10.169,673 11.031,674 11.897,675 3.3,678 1,686 1,688 7,693 5,695 12,708 1,712 2,714 60,716 14,717 2,718 33,720 62,721 23,722 12,723 5,724 7,727 1,730 3,731 3,736 1,740 2,741 1,743 4,745 12,746 11,747 1,750 2,752 1,755 2,761 1,762 1,764 29,765 7,766 1,767 8,773 2,777 1,778 5,780 1,793 3,815 1,817 1,819 3,823 1,825 1,827 31,832 1,833 8,835 2,837 2,838 1,846 1,847 8.3,848 1,852 2,853 2,854 16.5,855 10.66,856 7.139,857 3.61,858 2.25,859 1.301,860 0.906,861 8.642,862 9.725,863 3.738,864 4.248,865 4.727,866 5.175,867 5.631,868 5.726,869 5.856,870 5.79,871 5.994,872 6.04,873 0.9,874 48,875 11.539,877 4.868,878 8.016,879 21.795,881 17.719,883 2.516,884 78,887 1,888 329.591,889 123.815,890 8.794,892 115.43,893 14.96,895 123.815,896 445.021,897 23.754,898 16.553,899 26.983,900 109.017,902 44.739,903 14.96,904 329.591,905 50.747,906 329.591,907 132.609,908 130.39,911 262.153,912 104.397,913 93.43,915 30.107,916 96.832,917 5.67,919 344.551,920 124.224,921 123.815,924 329.591,925 46.598,926 86.011,928 130.39,929 329.591,930 139.185,931 123.815,933 0.567,934 0.337,935 0.176,936 0.097,937 18,938 9,939 0.145,940 9,942 1,943 4.256,944 260.354,946 18,947 143.58,951 23.455,952 11.422,953 6.158,955 133.514,956 12.011,961 2.75,963 42.683,964 592.59,965 41,967 -0.391,970 21.516,975 60.723,976 68.196,977 0.271,978 0.587,979 0.812,980 0.872,981 0.879,982 0.879,983 4.963,984 1.441,985 5.844,986 3.644,987 4.489,988 4.934,989 2.85,990 6.624,991 4.402,992 6.126,993 1.293,994 7.39,995 3.021,996 4.007,997 4.705,998 2.396,999 7.516,1000 3.883,1001 7.411,1002 1.048,1003 9.039,1004 2.901,1005 6.052,1006 7.03,1007 4.205,1008 10.587,1009 5.897,1010 8.733,1011 1,1012 10.75,1013 2.331,1014 6.415,1015 7.643,1016 4.51,1017 12.319,1018 6.216,1019 10.089,1020 1,1021 12.501,1022 2.275,1023 7.901,1024 9.451,1025 5.954,1026 14.916,1027 7.681,1028 11.468,1029 0.692,1030 14.28,1031 2.275,1032 8.65,1033 10.443,1034 6.556,1035 17,1036 8.385,1037 12.865,1038 0.507,1039 16.078,1040 1.552,1041 9.909,1042 12.04,1043 7.795,1044 19.448,1045 9.624,1046 3.15,1047 0.23,1048 17.892,1049 0.979,1050 10.846,1051 13.217,1052 8.548,1053 21.691,1054 10.516,1055 2.79,1056 10.93,1057 19.718,1058 0.336,1059 12.012,1060 14.716,1061 9.67,1062 24.093,1063 11.659,1064 2.716,1065 8.564,1066 21.554,1067 4.058,1068 13.041,1069 15.988,1070 10.509,1071 26.411,1072 12.646,1073 2.459,1074 8.229,1075 23.398,1076 3.951,1077 14.173,1078 17.437,1079 11.563,1080 28.8,1081 13.75,1082 2.28,1083 7.111,1084 25.25,1085 3.237,1086 15.248,1087 18.761,1088 12.452,1089 31.154,1090 14.786,1091 1.925,1092 6.628,1093 27.108,1094 2.934,1095 16.37,1096 20.183,1097 13.468,1098 33.54,1099 15.877,1100 1.531,1101 5.845,1102 28.972,1103 2.537,1104 17.471,1105 21.536,1106 14.386,1107 35.912,1108 16.94,1109 13583,1110 24471,1111 21.671,1112 37.881,1113 48.008,1114 50.43,1115 50.581,1116 48.032,1117 48.123,1118 59.446,1119 11.794,1120 133.24,1121 45.866,1122 5.434,1123 5.778,1124 6.604,1125 5.15,1126 5.15,1127 7.058,1128 4.612,1129 18.301,1130 5.039,1131 17.194,1132 1.455,1133 1.528,1134 1.533,1135 1.456,1136 1.458,1137 1.801,1138 0.357,1139 4.038,1140 1.39,1141 4.026,1142 4.058,1143 3.969,1144 3.918,1145 8.196,1146 3.921,1147 3.961,1148 3.983,1149 3.913,1150 3.863,1151 7.815,1152 3.868,1153 3.814,1154 3.861,1155 3.712,1156 3.671,1157 6.999,1158 3.671,1159 3.573,1160 3.611,1161 3.51,1162 3.316,1163 6.449,1164 3.336,1165 3.5,1166 3.559,1167 3.373,1168 3.253,1169 4.9,1170 3.266,1171 3.331,1172 3.382,1173 3.216,1174 3.041,1175 4.693,1176 3.083,1177 3.249,1178 3.315,1179 3.063,1180 2.963,1181 4.452,1182 2.977,1183 3.111,1184 3.206,1185 2.948,1186 2.941,1187 4.315,1188 2.91,1189 0.134,1190 0.114,1191 0.204,1192 0.125,1193 0.095,1194 4.434,1195 0.123,1196 3.778,1197 0.079,1198 6.741,1199 0.331,1200 4.115,1201 0.092,1202 3.15,1203 4.058,1204 2.612,1205 10.93,1206 3.039,1207 1.955,1208 1.926,1209 2.098,1210 2.101,1211 1.467,1212 2.094,1213 1.926,1214 1.905,1215 2.038,1216 2.06,1217 1.233,1218 2.046,1219 1.787,1220 1.74,1221 1.942,1222 1.954,1223 1.1,1224 1.948,1225 1.464,1226 1.41,1227 1.71,1228 1.749,1229 0.938,1230 1.72,1231 1.423,1232 1.361,1233 1.675,1234 1.698,1235 0.898,1236 1.686,1237 1.2,1238 1.146,1239 1.573,1240 1.529,1241 0.825,1242 1.533,1243 1.184,1244 1.12,1245 1.513,1246 1.506,1247 0.636,1248 1.481,1249 1.153,1250 1.064,1251 1.398,1252 1.376,1253 0.574,1254 1.429,1255 4.205,1257 5.493,1259 6.986,1261 8.569,1263 10.2,1265 1.522,1267 12.475,1270 10.989,1271 4.491,1273 10.868,1275 -0.582,1276 2.35,1280 36.375,1281 95.88,1282 208.117,1283 287.742,1284 308.904,1285 311.659,1286 311.659,1287 83.146,1288 7.475,1289 87.75,1290 87.75,1291 18,1292 12.444,1293 3.907,1294 3.17,1295 58.659,1296 154,1297 153,1298 0.185,1299 223.49,1300 401.12,1301 537.076,1302 19198,1303 1.7,1304 22.217,1305 0.717,1306 0.571,1307 21.51,1308 17.706,1309 15.028,1310 0.455,1311 0.319,1312 10.321,1313 14.187,1314 10.134,1315 8.333,1316 14.528,1317 10.526,1318 12.811,1319 0.291,1320 0.175,1321 12.458,1322 7.714,1323 10.795,1324 0.189,1325 0.102,1326 10.526,1327 5.809,1328 8.474,1329 0.123,1330 0.059,1331 8.379,1332 4.064,1333 6.744,1334 0.079,1335 0.035,1336 6.587,1337 2.957,1338 0.3,1339 96.343,1340 0.215,1341 29.821,1342 0.478,1343 154,1344 562.493,1345 173.45,1346 495.641,1347 642.83,1348 462,1349 178,1350 436.417,1351 197.669,1352 430.368,1353 624.09,1354 402,1355 5.466} {0 CHEMBL476839,1 1.426,2 13.586,3 4.702,4 22.107,5 114.747,6 6.583,7 0.387,8 4.175,9 4.295,10 3.623,11 3.675,12 5.176,13 3.634,14 4.761,15 4.952,16 3.928,17 4.065,18 5.689,19 3.997,20 5.026,21 5.242,22 4.052,23 4.25,24 5.969,25 4.146,26 5.148,27 5.384,28 4,29 4.282,30 6.031,31 4.148,32 5.196,33 5.455,34 3.976,35 4.259,36 6.077,37 4.122,38 5.119,39 5.364,40 3.918,41 4.221,42 6.019,43 4.082,44 5.125,45 5.395,46 3.773,47 4.155,48 5.954,49 3.988,50 5.05,51 5.355,52 3.567,53 3.993,54 5.931,55 3.805,56 0.037,57 0.871,58 14.433,59 6.351,60 10.791,61 8.38,62 0.276,63 1.411,64 27.225,65 10.127,66 30.975,67 13.765,68 0.543,69 1.704,70 35.705,71 13.242,72 54.897,73 18.376,74 0.431,75 1.782,76 40.14,77 14.809,78 56.691,79 20.789,80 0.645,81 1.833,82 42.925,83 14.745,84 70.4,85 20.902,86 0.561,87 1.801,88 39.644,89 14.056,90 64.622,91 19.638,92 0.477,93 1.765,94 39.85,95 13.992,96 59.6,97 19.793,98 0.702,99 1.609,100 37.83,101 12.395,102 93.006,103 17.815,104 23,105 41,106 0.233,107 0.528,108 0.772,109 0.828,110 0.849,111 0.849,112 3.407,113 1.01,114 -4.66,115 -4.58,116 -4.31,119 39.3,120 1,121 3,122 1,124 1,125 5,127 1,140 7,141 3,142 2,169 13,172 5,176 2,178 14,181 1,182 6,186 3,189 11,193 5,195 1,197 1,199 7,203 6,206 2,208 1,211 7,215 4,222 7,225 1,226 2,231 1,233 7,236 1,237 1,242 1,244 6,249 1,254 2,256 7,259 1448,260 19.861,261 19.861,262 19.861,263 19.861,264 19.861,265 18.358,266 24.248,267 11.977,268 20.369,269 15.175,270 15.175,271 15.175,272 15.175,273 15.175,274 12.894,275 25.749,276 5.528,277 15.93,278 4.505,279 2.702,280 1.218,281 0.871,282 0.746,283 0.746,284 4.091,288 1,289 1,290 827,291 3.536,295 325.465,302 2.181,303 29.412,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 63,315 394,316 4.434,317 3.469,318 6.741,319 4.115,320 3.15,321 4.058,322 0.86,323 10.93,324 3.039,325 4.015,326 3.009,327 6.042,328 3.684,329 2.726,330 3.615,331 0.86,332 8.564,333 2.634,334 3.81,335 2.864,336 5.459,337 3.612,338 2.62,339 2.935,340 0.8,341 7.274,342 2.577,343 3.506,344 2.711,345 5.327,346 3.325,347 2.391,348 2.723,349 0.765,350 6.847,351 2.232,352 3.372,353 2.387,354 5.104,355 3.071,356 2.08,357 2.516,359 5.877,360 2.054,361 3.084,362 2.333,363 4.876,364 2.862,365 1.915,366 2.151,368 5.641,369 1.808,370 2.917,371 2.025,372 4.25,373 2.471,374 1.53,375 2.086,377 3.642,378 1.439,379 2.504,380 1.88,381 3.739,382 2.354,383 1.439,384 1.505,386 2.92,387 1.288,388 2.5,389 1.458,390 3.449,391 2,392 1.06,393 1.5,395 2.347,396 1,397 2.161,398 1.093,399 3.414,400 1.986,401 1,402 1.14,404 2.275,405 0.983,406 2,407 1.077,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.97,415 1.844,416 1,417 3.204,418 1.697,419 0.74,420 0.797,422 1.66,423 0.703,424 1.662,425 0.984,426 2.916,427 1.417,428 0.522,429 0.579,431 0.99,432 0.462,433 1.323,434 0.865,435 2.473,436 1.046,437 0.23,438 0.246,440 0.336,441 0.184,442 1.111,443 0.21,444 2.416,445 0.884,446 -0.097,447 -0.11,449 -0.215,450 -0.095,451 13.686,452 0.472,453 0.554,454 0.019,455 30.75,456 1.06,457 13,458 0.448,459 17.75,460 0.612,461 29.481,462 1.017,463 33.714,464 0.553,465 22.69,466 0.782,467 6.109,468 0.211,469 8.009,470 0.276,471 0.118,473 0.285,474 1,479 0.773,480 1.229,481 0.901,482 1.244,483 0.712,484 1.122,485 1.15,486 0.99,487 1.043,488 0.993,489 0.915,490 0.989,491 0.803,492 0.955,493 1.011,494 1.085,495 0.726,496 1.079,497 0.794,498 0.981,499 1.002,500 1.148,501 0.728,502 1.124,503 0.946,504 0.853,505 0.966,506 0.93,507 0.781,508 0.952,509 0.978,510 1.03,511 1.078,512 1.083,513 0.899,514 1.099,515 0.937,516 1.032,517 1.033,518 1.056,519 0.908,520 1.067,521 0.978,522 0.869,523 0.968,524 0.818,525 1.129,526 0.875,527 5,528 0.132,529 3.333,530 1.563,531 1.658,532 0.972,533 0.484,534 0.403,535 0.271,536 0.151,537 11341,538 27603,539 2.033,540 52.5,541 3,542 21,545 1,547 7,550 1.715,551 1.912,552 3.678,553 -0.405,559 86.981,560 1.426,561 3.228,562 4.713,563 5.06,564 5.185,565 5.185,566 3.25,567 4.582,568 4.824,569 3.856,570 1565.68,571 8.383,572 22114.4,574 1,577 361.775,578 1.358,579 4.792,580 0.161,581 0.007,582 0.081,583 0.036,584 0.041,585 0.025,586 0.013,587 0.013,588 0.011,589 0.007,590 0.396,591 0.33,592 1,593 1.163,594 150.228,595 -0.02,596 -0.097,597 0.045,598 -0.048,599 -0.051,601 -0.133,602 0.091,603 -0.049,604 0.065,605 -0.08,606 0.035,607 0.099,608 0.033,609 -0.04,610 -0.051,611 0.055,612 -0.062,613 0.028,614 -0.14,615 -0.052,616 -0.145,617 0.012,618 -0.119,619 0.011,620 -0.019,621 0.011,622 0.023,623 0.017,624 0.015,625 -0.003,626 -0.088,627 -0.098,628 -0.095,629 -0.014,630 -0.113,631 -0.03,632 -0.132,633 -0.064,634 -0.096,635 -0.043,636 -0.093,637 0.042,638 0.115,639 0.026,640 0.096,641 0.047,642 0.065,643 2.059,644 4.999,645 0.621,646 33.786,647 0.996,648 1.133,649 3.432,650 11.78,651 0.631,652 3.466,653 3.738,654 3.989,655 4.19,656 4.407,657 4.369,658 4.407,659 4.489,660 4.585,661 4.575,662 7.647,663 0.59,664 401.57,665 3.466,666 4.977,667 5.808,668 6.661,669 7.512,670 8.37,671 9.229,672 10.091,673 10.953,674 11.819,675 1.6,678 1,688 7,693 5,695 12,712 2,714 61,716 12,717 2,718 31,720 63,721 24,722 12,723 5,724 7,727 1,730 3,731 3,736 2,740 2,741 1,743 4,745 12,746 12,747 1,762 1,764 32,765 5,766 1,767 5,773 1,777 1,778 3,780 1,793 3,815 1,817 1,819 3,823 2,825 1,827 29,832 1,833 8,835 2,837 2,838 1,846 1,847 4.9,848 1,852 2,854 15.167,855 11.126,856 6.694,857 3.744,858 2.034,859 1.279,860 0.915,861 8.195,862 9.336,863 3.638,864 4.127,865 4.615,866 5.067,867 5.529,868 5.477,869 5.567,870 5.704,871 5.849,872 5.903,873 1,874 44,875 10.819,877 4.484,878 7.707,879 21.039,881 17.185,883 2.207,884 64,886 1,887 1,888 364.904,889 133.069,890 3.124,892 64.683,893 14.96,895 133.069,896 429.587,897 18.084,898 19.708,899 26.983,900 109.017,902 45.168,903 14.96,904 364.904,906 364.904,907 136.193,908 79.643,911 297.467,912 104.397,913 42.683,915 38.933,916 97.26,919 379.864,920 67.807,921 133.069,924 364.904,925 47.027,926 89.166,928 79.643,929 364.904,930 82.768,931 133.069,933 0.563,934 0.334,935 0.178,936 0.101,937 17,938 8,939 0.127,940 8,942 1,943 4.103,944 238.648,946 18,947 132.881,951 21.918,952 10.843,953 5.863,955 82.768,956 14.18,961 4.375,963 42.683,964 580.74,965 37,975 60.734,976 69.109,977 0.24,978 0.544,979 0.795,980 0.853,981 0.874,982 0.874,983 4.86,984 1.439,985 5.765,986 3.642,987 4.419,988 4.812,989 1.806,990 6.535,991 4.336,992 6.005,993 1.06,994 7.3,995 2.92,996 3.892,997 4.46,998 0.325,999 7.398,1000 3.779,1001 7.276,1002 1,1003 8.939,1004 2.347,1005 5.969,1006 6.86,1007 1.466,1008 10.482,1009 5.824,1010 8.581,1011 1,1012 10.64,1013 2.275,1014 6.293,1015 7.349,1016 0.268,1017 12.21,1018 6.109,1019 9.922,1020 0.74,1021 12.384,1022 2.275,1023 7.8,1024 9.227,1025 1.19,1026 14.824,1027 7.595,1028 11.287,1029 0.522,1030 14.157,1031 1.66,1032 8.528,1033 10.119,1034 0.188,1035 16.917,1036 8.278,1037 12.671,1038 0.23,1039 15.953,1040 0.99,1041 9.8,1042 11.768,1043 0.955,1044 19.38,1045 9.53,1046 3.15,1047 -0.097,1048 17.767,1049 0.336,1050 10.729,1051 12.874,1052 0.125,1053 21.635,1054 10.412,1055 2.726,1056 10.93,1057 19.595,1058 -0.215,1059 11.904,1060 14.405,1061 0.756,1062 24.049,1063 11.563,1064 2.62,1065 8.564,1066 21.434,1067 4.058,1068 12.932,1069 15.632,1070 0.082,1071 26.376,1072 12.549,1073 2.391,1074 7.274,1075 23.284,1076 3.615,1077 14.071,1078 17.1,1079 0.59,1080 28.772,1081 13.659,1082 2.08,1083 6.847,1084 25.142,1085 2.935,1086 15.151,1087 18.395,1088 0.054,1089 31.132,1090 14.697,1091 1.915,1092 5.877,1093 27.007,1094 2.723,1095 16.279,1096 19.828,1097 0.454,1098 33.523,1099 15.794,1100 1.53,1101 5.641,1102 28.878,1103 2.516,1104 17.385,1105 21.164,1106 0.035,1107 35.899,1108 16.86,1109 11119,1110 17489,1111 20.572,1112 38.489,1113 44.844,1114 46.134,1115 47.096,1116 44.696,1117 44.809,1118 53.7,1119 6.569,1120 123.157,1121 42.746,1122 5.434,1123 5.469,1124 6.604,1125 5.15,1126 5.15,1127 7.058,1128 1.72,1129 18.301,1130 5.039,1131 14.523,1132 1.447,1133 1.488,1134 1.519,1135 1.442,1136 1.445,1137 1.732,1138 0.212,1139 3.973,1140 1.379,1141 4.008,1142 4.042,1143 3.939,1144 3.919,1145 8.196,1146 3.918,1147 3.928,1148 3.953,1149 3.863,1150 3.865,1151 6.449,1152 3.862,1153 3.804,1154 3.852,1155 3.697,1156 3.671,1157 4.901,1158 3.669,1159 3.512,1160 3.572,1161 3.383,1162 3.316,1163 4.74,1164 3.311,1165 3.438,1166 3.505,1167 3.29,1168 3.253,1169 4.452,1170 3.258,1171 3.249,1172 3.315,1173 3.072,1174 3.038,1175 4.318,1176 3.037,1177 3.213,1178 3.276,1179 3.057,1180 2.962,1181 4.259,1182 2.971,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.951,1188 2.91,1189 0.143,1190 0.112,1191 0.217,1192 0.133,1193 0.102,1194 4.434,1195 0.131,1196 3.469,1197 0.028,1198 6.741,1199 0.353,1200 4.115,1201 0.098,1202 3.15,1203 4.058,1204 0.86,1205 10.93,1206 3.039,1207 1.956,1208 1.926,1209 2.102,1210 2.08,1211 1.467,1212 2.089,1213 1.926,1214 1.905,1215 2.053,1216 2.017,1217 1.246,1218 2.029,1219 1.787,1220 1.74,1221 1.945,1222 1.94,1223 1.105,1224 1.944,1225 1.466,1226 1.405,1227 1.727,1228 1.711,1229 0.966,1230 1.712,1231 1.424,1232 1.359,1233 1.701,1234 1.633,1235 0.925,1236 1.662,1237 1.201,1238 1.137,1239 1.573,1240 1.513,1241 0.825,1242 1.533,1243 1.188,1244 1.115,1245 1.513,1246 1.423,1247 0.67,1248 1.443,1249 1.153,1250 1.064,1251 1.485,1252 1.376,1253 0.574,1254 1.429,1255 4.143,1257 5.425,1259 6.913,1261 8.494,1263 10.122,1265 3.666,1267 12.47,1270 10.999,1271 5.354,1273 10.919,1275 -0.436,1276 2.473,1280 35.978,1281 86.981,1282 196.923,1283 287.494,1284 308.656,1285 316.265,1286 316.265,1287 64.287,1288 7.302,1289 41.93,1290 41.93,1291 18,1292 12.366,1293 3.7,1294 2.807,1295 52.767,1296 132,1297 144,1298 0.193,1299 221.223,1300 392.48,1301 531.545,1302 15238,1303 1.6,1304 20.64,1305 0.712,1306 0.601,1307 19.933,1308 17.442,1309 14.118,1310 0.455,1311 0.337,1312 10.276,1313 13.526,1314 9.994,1315 8.264,1316 13.618,1317 10.437,1318 11.912,1319 0.291,1320 0.19,1321 11.559,1322 7.776,1323 10.097,1324 0.191,1325 0.109,1326 9.828,1327 5.783,1328 7.949,1329 0.122,1330 0.062,1331 7.853,1332 4.035,1333 6.559,1334 0.081,1335 0.037,1336 6.401,1337 3.015,1338 0.311,1339 88.98,1340 0.22,1341 28.11,1342 0.508,1343 144,1344 439.377,1345 157.274,1346 386.35,1347 512.81,1348 366,1349 166,1350 345.052,1351 179.85,1352 348.077,1353 508.25,1354 326,1355 5.842} {0 CHEMBL482496,1 1.538,2 9.87,3 3.801,4 14.451,5 100.471,6 9.496,7 0.5,8 3.875,9 3.983,10 3.657,11 3.442,12 4.939,13 3.371,14 4.398,15 4.576,16 4.039,17 3.8,18 5.358,19 3.691,20 4.52,21 4.694,22 4.319,23 3.962,24 5.476,25 3.822,26 4.652,27 4.847,28 4.269,29 3.986,30 5.567,31 3.809,32 4.73,33 4.975,34 3.993,35 3.982,36 5.548,37 3.733,38 4.677,39 4.952,40 3.715,41 3.85,42 5.428,43 3.58,44 4.505,45 4.769,46 3.62,47 3.625,48 5.286,49 3.431,50 4.332,51 4.588,52 3.562,53 3.581,54 5.144,55 3.394,56 0.019,57 0.581,58 6.913,59 4.598,60 8.902,61 5.61,62 0.248,63 0.907,64 19.601,65 7.92,66 22.526,67 8.952,68 0.127,69 1.063,70 31.252,71 10.329,72 19.311,73 11.245,74 0.266,75 1.177,76 35.089,77 11.493,78 27.934,79 12.662,80 0.388,81 1.263,82 49.631,83 13.359,84 32.655,85 14.809,86 0.307,87 1.171,88 63.805,89 13.627,90 29.867,91 14.333,92 0.325,93 0.945,94 41.602,95 9.504,96 28.447,97 10.775,98 0.144,99 0.822,100 27.423,101 8.321,102 18.795,103 9.859,104 26,105 31,106 0.27,107 0.551,108 0.716,109 0.795,110 0.821,111 0.861,112 3.187,113 1.063,114 -4.62,115 -4.54,116 -4.27,119 40,121 1,124 3,125 2,140 6,141 2,142 4,169 6,172 5,176 2,178 7,182 7,186 2,189 5,193 3,195 1,197 3,199 2,202 1,206 1,208 2,211 3,215 1,218 1,222 4,226 2,231 1,233 5,237 3,244 4,248 1,249 4,256 4,259 716,260 15.801,261 15.801,262 15.801,263 15.801,264 15.801,265 14.272,266 20.391,267 9.454,268 16.567,269 11.636,270 11.636,271 11.636,272 11.636,273 11.636,274 9.208,275 24.491,276 4.18,277 12.66,278 3.954,279 2.353,280 1.412,281 0.962,282 0.812,283 0.584,284 3.852,288 1,289 1,290 464,291 3.162,295 168.98,302 1.388,303 13.904,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 48.9,315 227,316 4.374,317 3.319,318 6.304,319 3.945,320 3.007,321 4.059,322 0.86,323 9.588,324 2.817,325 4.192,326 3.133,327 6.129,328 3.805,329 2.836,330 3.8,331 0.86,332 8.98,333 2.745,334 3.733,335 2.878,336 5.786,337 3.328,338 2.435,339 3.09,340 0.86,341 7.709,342 2.092,343 3.103,344 2.274,345 4.653,346 2.775,347 1.843,348 2.288,349 0.657,350 4.959,351 1.703,352 2.96,353 2.162,354 4.412,355 2.621,356 1.688,357 2.114,359 4.342,360 1.549,361 2.917,362 1.929,363 3.823,364 2.458,365 1.49,366 2.073,368 3.181,369 1.436,370 2.519,371 1.65,372 3.636,373 2.26,374 1.334,375 1.521,377 2.96,378 1.184,379 2.141,380 1.412,381 3.436,382 1.858,383 1.032,384 1.112,386 2.206,387 0.739,388 1.761,389 0.941,390 2.932,391 1.5,392 0.577,393 0.666,395 1.095,396 0.527,397 1.525,398 0.916,399 2.702,400 1.286,401 0.397,402 0.437,404 0.634,405 0.349,406 1.444,407 0.807,408 2.635,409 1.184,410 0.328,411 0.358,413 0.467,414 0.265,415 1.101,416 0.436,417 2.552,418 0.771,419 -0.081,420 -0.091,422 -0.143,423 -0.033,424 0.771,425 -0.016,426 2.162,427 0.442,428 -0.454,429 -0.518,431 -0.887,432 -0.302,433 0.64,434 -0.238,435 2,436 0.212,437 -0.713,438 -0.894,440 -1.705,441 -0.525,442 0.572,443 -0.405,444 1.861,445 0.121,446 -0.816,447 -0.965,449 -1.781,450 -0.713,451 12.043,452 0.524,453 0.397,454 0.017,455 27.5,456 1.196,457 13.5,458 0.587,459 14,460 0.609,461 20.731,462 0.901,463 25.157,464 0.559,465 17.255,466 0.75,467 5.626,468 0.245,469 5.563,470 0.242,471 0.261,473 0.249,479 0.923,480 1.246,481 0.49,482 0.72,483 0.869,484 0.946,485 1.538,486 0.772,487 0.575,488 0.566,489 1.3,490 0.711,491 0.993,492 1.164,493 0.945,494 1.026,495 0.854,496 1.008,497 1.107,498 1.229,499 0.86,500 0.991,501 1.129,502 1.138,503 0.724,504 1.143,505 1.019,506 1.054,507 0.905,508 1.155,509 0.793,510 1.01,511 1.286,512 1.218,513 0.882,514 1.094,515 1.306,516 0.817,517 0.795,518 0.821,519 1.247,520 0.869,521 0.732,522 0.868,523 0.614,524 0.721,525 0.76,526 0.869,527 4,528 0.157,529 2.667,530 1.375,531 1.267,532 0.535,533 0.243,534 0.212,535 0.173,536 0.171,537 5568,538 16382,539 1.971,540 48.9,542 19,545 1,547 2,550 1.654,551 1.84,552 3.291,553 -0.326,555 1,558 1,559 69.212,560 1.538,561 3.139,562 4.08,563 4.53,564 4.68,565 4.908,566 2.616,567 4.176,568 4.5,569 3.469,570 877.732,571 7.729,572 10589.2,574 1,576 1,577 247.133,578 1.41,579 4.449,580 0.167,581 0.008,582 0.086,583 0.04,584 0.044,585 0.023,586 0.013,587 0.012,588 0.009,589 0.008,590 0.41,591 0.33,592 1,593 1.019,594 109.567,595 -0.013,596 -0.134,597 0.002,598 -0.041,599 0.01,600 -0.028,601 -0.22,602 0.262,603 0.022,604 0.166,605 -0.146,606 0.185,607 -0.038,608 -0.114,609 0.012,610 -0.057,611 0.059,612 -0.032,613 -0.065,614 -0.214,615 -0.003,616 -0.092,617 -0.131,618 -0.188,619 0.087,620 -0.152,621 -0.052,622 -0.087,623 -0.046,624 -0.177,625 0.013,626 -0.037,627 -0.092,628 -0.11,629 -0.019,630 -0.086,631 -0.169,632 0.115,633 -0.02,634 0.018,635 -0.162,636 0.064,637 0.009,638 0.081,639 0.01,640 0.033,641 0.064,642 0.082,643 0.786,644 1.969,645 0.522,646 18.484,647 0.997,648 1.12,649 3.388,650 11.479,651 0.698,652 3.219,653 3.466,654 3.714,655 3.871,656 4.007,657 3.892,658 3.761,659 3.638,660 3.714,661 3.829,662 6.257,663 0.628,664 427.31,665 3.219,666 4.71,667 5.533,668 6.375,669 7.216,670 8.062,671 8.907,672 9.754,673 10.6,674 11.447,675 2.2,677 1,688 6,693 6,695 12,712 3,713 1,714 45,716 12,717 2,718 24,720 46,721 18,722 12,723 6,724 6,730 2,731 2,743 1,745 12,746 6,761 1,764 22,765 4,766 1,767 5,768 1,769 1,773 1,777 1,778 3,793 2,814 1,819 2,823 3,826 1,827 23,833 3,834 1,835 3,846 1,847 6.7,852 3,854 12.5,855 8.893,856 5.5,857 2.432,858 2.21,859 1.342,860 0.946,861 7.455,862 8.679,863 3.434,864 3.97,865 4.511,866 4.975,867 5.433,868 5.357,869 5.25,870 5.097,871 5.265,872 5.606,873 1,874 34,875 8.454,877 3.289,878 7.57,879 16.384,881 12.459,883 2.07,884 47.62,887 1,888 247.193,889 176.796,890 18.011,892 33,894 56.782,895 120.014,896 280.193,897 18.011,898 32.649,899 6.746,900 74.868,902 56.761,904 303.975,906 247.193,907 138.024,908 33,910 56.782,911 223.651,912 56.542,915 24.757,916 113.268,918 56.782,919 247.193,920 51.01,921 120.014,922 56.782,924 247.193,925 30.507,926 146.289,927 18.011,928 33,929 247.193,930 51.01,931 120.014,932 56.782,933 0.555,934 0.347,935 0.187,936 0.094,937 12,938 6,939 0.174,940 8,942 1,943 3.522,944 165.814,946 12,947 104.042,951 18.353,952 9.343,953 4.991,955 51.01,956 12.1,961 6.029,963 18.011,964 474.999,965 30,975 44.872,976 50.414,977 0.28,978 0.572,979 0.743,980 0.825,981 0.852,982 0.894,983 4.625,984 1.032,985 5.485,986 2.96,987 4.143,988 4.654,989 1.841,990 6.248,991 3.99,992 5.798,993 0.577,994 7.02,995 2.206,996 3.611,997 4.407,999 7.111,1000 3.332,1001 7.087,1002 0.397,1003 8.66,1004 1.095,1005 5.687,1006 6.814,1007 1.538,1008 10.157,1009 5.434,1010 8.418,1011 0.328,1012 10.36,1013 0.634,1014 6.019,1015 7.398,1017 11.827,1018 5.644,1019 9.783,1020 -0.081,1021 12.099,1022 0.467,1023 7.514,1024 9.267,1025 1.278,1026 14.369,1027 7.163,1028 11.17,1029 -0.454,1030 13.863,1031 -0.143,1032 8.245,1033 10.229,1035 16.354,1036 7.787,1037 12.574,1038 -0.713,1039 15.642,1040 -0.887,1041 9.499,1042 11.864,1043 1.053,1044 18.714,1045 9.047,1046 3.007,1047 -0.816,1048 17.433,1049 -1.705,1050 10.418,1051 13.016,1053 20.834,1054 9.875,1055 2.836,1056 9.588,1057 19.231,1058 -1.781,1059 11.57,1060 14.536,1061 0.858,1062 23.122,1063 11.013,1064 2.435,1065 8.98,1066 21.035,1067 4.059,1068 12.574,1069 15.79,1071 25.303,1072 11.941,1073 1.843,1074 7.709,1075 22.843,1076 3.8,1077 13.684,1078 17.249,1079 0.691,1080 27.563,1081 13.021,1082 1.688,1083 4.959,1084 24.655,1085 3.09,1086 14.729,1087 18.559,1089 29.773,1090 13.998,1091 1.49,1092 4.342,1093 26.469,1094 2.288,1095 15.821,1096 19.985,1097 0.549,1098 32.022,1099 15.05,1100 1.334,1101 3.181,1102 28.284,1103 2.114,1104 16.886,1105 21.327,1107 34.248,1108 16.051,1109 5658,1110 9813,1111 15.603,1112 31.404,1113 33.837,1114 35.103,1115 36.062,1116 34.149,1117 33.935,1118 43.034,1119 6.475,1120 92.24,1121 30.807,1122 5.279,1123 5.319,1124 6.016,1125 4.957,1126 5.007,1127 7.059,1128 1.72,1129 16.286,1130 4.817,1131 12.358,1132 1.41,1133 1.463,1134 1.503,1135 1.423,1136 1.414,1137 1.793,1138 0.27,1139 3.843,1140 1.284,1141 3.97,1142 3.994,1143 10.695,1144 4.031,1145 4.904,1146 3.903,1147 3.905,1148 3.921,1149 3.886,1150 3.852,1151 4.855,1152 3.84,1153 3.516,1154 3.589,1155 3.824,1156 3.515,1157 4.601,1158 3.343,1159 3.319,1160 3.368,1161 3.351,1162 3.195,1163 4.394,1164 3.066,1165 3.249,1166 3.315,1167 3.165,1168 3.006,1169 4.246,1170 2.994,1171 3.169,1172 3.253,1173 3.063,1174 2.977,1175 4.107,1176 2.96,1177 3.103,1178 3.179,1179 2.964,1180 2.934,1181 3.746,1182 2.87,1183 2.8,1184 2.87,1185 2.838,1186 2.817,1187 3.578,1188 2.685,1189 0.182,1190 0.138,1191 0.263,1192 0.164,1193 0.125,1194 4.374,1195 0.169,1196 3.319,1197 0.036,1198 6.304,1199 0.399,1200 3.945,1201 0.117,1202 3.007,1203 4.059,1204 0.86,1205 9.588,1206 2.817,1207 1.921,1208 1.902,1209 2.033,1210 2.027,1211 1.254,1212 2.032,1213 1.891,1214 1.873,1215 1.973,1216 1.975,1217 1.143,1218 1.981,1219 1.489,1220 1.422,1221 1.708,1222 1.71,1223 0.9,1224 1.72,1225 1.238,1226 1.179,1227 1.591,1228 1.565,1229 0.636,1230 1.57,1231 1.198,1232 1.127,1233 1.573,1234 1.513,1235 0.585,1236 1.533,1237 1.159,1238 1.083,1239 1.53,1240 1.44,1241 0.573,1242 1.475,1243 1.113,1244 1.029,1245 1.412,1246 1.308,1247 0.553,1248 1.357,1249 0.823,1250 0.759,1251 1.111,1252 1.003,1253 0.222,1254 1.046,1255 3.892,1257 5.153,1259 6.629,1261 8.205,1263 9.831,1265 5.082,1268 2.252,1271 2.484,1272 3.45,1273 16.224,1280 28.277,1281 69.212,1282 141.246,1283 183.585,1284 203.849,1285 210.604,1286 220.869,1287 35.621,1288 6.469,1289 39.72,1290 39.72,1291 12,1292 12.007,1293 3.7,1294 2.807,1295 45.485,1296 88,1297 69,1298 0.254,1299 187.449,1300 320.25,1301 449.136,1302 5146,1303 2.2,1304 16.656,1305 0.724,1306 0.689,1307 18.156,1308 15.846,1309 11.189,1310 0.466,1311 0.354,1312 7.34,1313 9.989,1314 6.987,1315 5.879,1316 12.055,1317 8.501,1318 9.043,1319 0.292,1320 0.2,1321 10.155,1322 6.199,1323 7.791,1324 0.195,1325 0.112,1326 8.852,1327 4.477,1328 6.114,1329 0.13,1330 0.065,1331 7.125,1332 3.073,1333 4.623,1334 0.086,1335 0.038,1336 5.424,1337 2.076,1338 0.405,1339 84.55,1340 0.253,1341 22.904,1342 0.674,1343 110,1344 341.188,1345 268.933,1346 358.869,1347 473.54,1348 338,1349 126,1350 303.072,1351 197.044,1352 326.363,1353 468.81,1354 301,1355 6.301} {0 CHEMBL482562,1 1.673,2 11.581,3 2.951,4 8.705,5 119.352,6 8.199,7 0.6,8 4.092,9 4.193,10 3.881,11 3.71,12 5.156,13 3.671,14 4.647,15 4.786,16 4.224,17 4.131,18 5.881,19 4.076,20 4.945,21 5.138,22 4.34,23 4.29,24 6.078,25 4.2,26 4.99,27 5.185,28 4.324,29 4.23,30 6.229,31 4.155,32 4.899,33 5.088,34 4.205,35 4.094,36 6.22,37 4.05,38 4.76,39 4.935,40 4.042,41 4.062,42 6.022,43 4.003,44 4.735,45 4.931,46 3.975,47 4.06,48 5.835,49 3.972,50 4.706,51 4.92,52 3.883,53 3.982,54 5.901,55 3.87,56 0.12,57 0.821,58 12.229,59 5.112,60 17.344,61 5.872,62 0.371,63 1.355,64 19.923,65 8.527,66 53.868,67 10.499,68 0.398,69 1.729,70 32.39,71 12.538,72 60.298,73 15.147,74 0.459,75 1.753,76 37.642,77 13.132,78 75.511,79 14.853,80 0.672,81 1.566,82 35.221,83 11.121,84 102.974,85 12.175,86 0.551,87 1.385,88 27.013,89 9.591,90 76.383,91 11.104,92 0.356,93 1.348,94 24.592,95 9.801,96 60.178,97 12.367,98 0.439,99 1.331,100 25.031,101 9.542,102 88.86,103 12.333,104 10,105 51,106 0.273,107 0.587,108 0.724,109 0.814,110 0.853,111 0.865,112 3.472,113 1.003,114 -3.61,115 -3.58,116 -3.41,119 43.4,121 2,122 1,125 2,140 10,141 3,142 2,143 1,150 1,156 1,164 1,169 13,171 3,172 4,174 1,176 5,178 15,181 2,182 11,186 4,189 10,193 19,195 1,197 1,199 7,203 15,206 2,207 1,211 11,214 1,215 10,218 2,222 11,225 1,226 4,231 4,233 13,236 2,237 4,242 4,244 8,249 6,252 1,254 4,256 6,259 1580,260 21.117,261 21.117,262 21.117,263 21.117,264 21.117,265 18.384,266 18.5,267 12.351,268 21.402,269 17.293,270 17.293,271 17.293,272 17.293,273 17.293,274 13.035,275 25.37,276 5.847,277 17.755,278 4.055,279 2.124,280 1.283,281 0.731,282 0.491,283 0.415,284 4.18,288 1,289 1,290 798,291 3.742,294 66.473,295 331.058,298 120.13,299 130.069,302 1.788,303 41.974,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 359,316 5.057,317 4.741,318 7.792,319 4.54,320 3.605,321 5.026,322 1.907,323 14.27,324 3.357,325 4.481,326 3.714,327 6.587,328 3.987,329 3.006,330 4.432,331 0.4,332 10.325,333 2.948,334 4.242,335 3.06,336 6.189,337 3.819,338 2.82,339 4.07,340 0.149,341 9.028,342 2.813,343 3.982,344 2.788,345 6.043,346 3.684,347 2.694,348 3.242,350 8.644,351 2.653,352 3.574,353 2.407,354 5.359,355 3.217,356 2.25,357 2.886,359 6.705,360 2.172,361 3.291,362 2.257,363 5.214,364 2.815,365 1.831,366 2.648,368 5.795,369 1.796,370 3.118,371 1.927,372 4.627,373 2.685,374 1.709,375 2.427,377 4.457,378 1.66,379 3.054,380 1.618,381 4.238,382 2.618,383 1.618,384 2.309,386 3.953,387 1.618,388 2.905,389 1.609,390 4.162,391 2.483,392 1.497,393 1.909,395 3.655,396 1.474,397 2.761,398 1.515,399 3.935,400 2.26,401 1.262,402 1.889,404 3.063,405 1.26,406 2.64,407 1.27,408 3.586,409 2.126,410 1.167,411 1.692,413 2.781,414 1.116,415 2.241,416 1.199,417 3.455,418 1.998,419 1.018,420 1.143,422 2.468,423 0.989,424 2.19,425 1.077,426 3.353,427 1.984,428 1,429 1.093,431 2.136,432 0.983,433 2.059,434 0.881,435 3.247,436 1.732,437 0.744,438 1,440 1.782,441 0.732,442 2,443 0.661,444 3.215,445 1.538,446 0.554,447 0.822,449 1.395,450 0.544,451 14.933,452 0.482,453 0.807,454 0.026,455 42.75,456 1.379,457 23,458 0.742,459 19.75,460 0.637,461 24.652,462 0.795,463 32.467,464 0.613,465 34.684,466 1.119,467 8.073,468 0.26,469 6.964,470 0.225,471 0.067,472 0.056,473 0.295,479 0.512,480 1.165,481 0.782,482 1.116,483 0.588,484 0.881,485 0.563,486 1.145,487 0.807,488 0.983,489 0.546,490 0.973,491 0.861,492 1.037,493 0.924,494 0.978,495 0.792,496 0.934,497 1.34,498 1.096,499 1.136,500 1.106,501 1.309,502 0.948,503 1.756,504 0.899,505 1.176,506 0.932,507 1.834,508 0.82,509 1.363,510 0.928,511 1.122,512 0.933,513 1.434,514 0.951,515 0.885,516 0.997,517 0.837,518 0.938,519 0.942,520 1.022,521 0.626,522 1.063,523 0.927,524 1.004,525 0.457,526 1.076,527 6,528 0.158,529 4.444,530 2.785,531 2.183,532 1.104,533 0.645,534 0.502,535 0.317,536 0.211,537 13148,538 34056,539 2.151,540 41.5,542 14,544 1,545 2,546 1,547 4,550 1.739,551 2.033,552 3.491,553 0.225,555 1,559 88.675,560 1.673,561 3.604,562 4.445,563 4.997,564 5.237,565 5.313,566 2.927,567 4.632,568 4.925,569 3.64,570 1692.68,571 8.614,572 23361.9,574 1,577 303.58,578 1.459,579 4.889,580 0.171,581 0.007,582 0.087,583 0.052,584 0.042,585 0.023,586 0.015,587 0.013,588 0.009,589 0.007,590 0.425,591 0.33,592 0.88,593 0.486,594 159.484,595 0.109,596 -0.011,597 0.198,598 -0.031,599 -0.094,600 0.048,601 0.239,602 -0.056,603 0.059,604 -0.019,605 0.164,606 -0.054,607 0.033,608 -0.014,609 0.11,610 0.05,611 0.055,612 0.046,613 -0.11,614 -0.084,615 0.022,616 -0.04,617 -0.023,618 0.019,619 -0.2,620 0.111,621 -0.041,622 0.086,623 -0.14,624 0.106,625 -0.119,626 0.089,627 -0.176,628 0.017,629 -0.122,630 -0.03,631 -0.031,632 -0.035,633 -0.013,634 -0.023,635 -0.081,636 -0.047,637 0.163,638 -0.077,639 -0.024,640 -0.063,641 0.245,642 -0.09,643 4.847,644 6.51,645 0.806,646 30.158,647 1.008,648 1.118,649 2.377,650 5.652,651 0.696,652 3.584,653 3.951,654 4.277,655 4.575,656 4.812,657 4.883,658 5.043,659 5.198,660 5.293,661 5.371,662 6.733,663 0.663,664 434.56,665 3.584,666 5.153,667 6.033,668 6.94,669 7.839,670 8.753,671 9.66,672 10.578,673 11.49,674 12.412,675 7.5,677 1,682 1,683 1,685 1,687 4,688 11,689 1,693 2,694 1,695 21,714 53,716 24,717 3,718 35,720 57,721 23,722 17,723 6,724 10,730 5,731 7,740 2,741 1,743 2,745 18,746 5,747 1,750 3,753 1,755 3,759 1,761 1,764 22,765 6,766 2,767 8,768 1,773 4,777 0.6,778 3,784 1,792 1,793 4,796 1,797 1,805 1,814 1,819 3,821 1,827 31,830 1,833 4,834 2,837 1,847 5.7,850 3,854 15.25,855 9.317,856 6.639,857 3.225,858 4.341,859 1.526,860 1.044,861 5.165,862 12.593,863 3.902,864 4.582,865 5.232,866 5.891,867 6.47,868 6.852,869 7.315,870 7.773,871 8.088,872 8.391,873 0.875,874 54,875 11.858,877 5.591,878 7.852,879 22.06,881 19.155,883 2.352,884 72.917,887 1,888 235.422,889 137.773,890 52.855,892 69.458,894 5.807,895 131.966,896 304.88,897 52.855,899 27.291,900 118.581,901 102.597,902 21.245,903 2.144,904 223.651,906 235.422,907 184.821,908 69.458,909 5.807,911 188.338,912 116.542,915 54.52,916 113.638,917 22.47,919 235.422,920 122.313,921 137.773,923 5.807,924 235.422,925 28.156,926 103.981,927 36.022,928 86.121,929 235.422,930 122.313,931 137.773,933 0.59,934 0.357,935 0.198,936 0.107,937 27,938 11,939 0.07,940 4,941 2,942 1.16,943 4.17,944 299.198,945 0.16,946 25,947 145.58,950 1,951 20.044,952 7.989,953 3.687,954 2.596,955 122.142,956 19.302,957 4.168,961 0.755,962 1.046,963 36.022,964 495.508,965 48.5,968 -3.93,970 39.632,974 -0.038,975 53.418,976 59.278,977 0.292,978 0.629,979 0.776,980 0.872,981 0.914,982 0.928,983 5.155,984 1.618,985 6.052,986 4.457,987 4.635,988 5.27,989 1.997,990 6.952,991 4.581,992 6.405,993 1.497,994 7.67,995 3.953,996 4.369,997 5.359,998 1.593,999 8.214,1000 4.255,1001 7.768,1002 1.262,1003 9.409,1004 3.655,1005 6.34,1006 7.666,1007 2.907,1008 11.353,1009 6.207,1010 9.179,1011 1.167,1012 11.227,1013 3.063,1014 6.948,1015 8.629,1016 3.032,1017 13.503,1018 6.731,1019 10.633,1020 1.018,1021 13.098,1022 2.781,1023 8.419,1024 10.449,1025 4.038,1026 16.262,1027 8.174,1028 12.118,1029 1,1030 15.007,1031 2.468,1032 9.402,1033 11.776,1034 4.409,1035 18.731,1036 9.065,1037 13.627,1038 0.744,1039 16.944,1040 2.136,1041 10.708,1042 13.433,1043 5.25,1044 21.404,1045 10.324,1046 3.605,1047 0.554,1048 18.904,1049 1.782,1050 11.85,1051 14.912,1052 5.75,1053 23.989,1054 11.375,1055 3.006,1056 14.27,1057 20.88,1058 1.395,1059 13.11,1060 16.516,1061 6.501,1062 26.645,1063 12.571,1064 2.82,1065 10.325,1066 22.871,1067 5.026,1068 14.32,1069 18.058,1070 7.068,1071 29.274,1072 13.693,1073 2.694,1074 9.028,1075 24.873,1076 4.432,1077 15.574,1078 19.649,1079 7.771,1080 31.928,1081 14.873,1082 2.25,1083 8.644,1084 26.884,1085 4.07,1086 16.816,1087 21.22,1088 8.374,1089 34.573,1090 16.029,1091 1.831,1092 6.705,1093 28.903,1094 3.242,1095 18.075,1096 22.811,1097 9.051,1098 37.229,1099 17.208,1100 1.709,1101 5.795,1102 30.928,1103 2.886,1104 19.333,1105 24.396,1106 9.674,1107 39.881,1108 18.382,1109 12161,1110 19806,1111 23.75,1112 36.887,1113 53.623,1114 55.242,1115 54.574,1116 53.577,1117 53.547,1118 73.178,1119 4.912,1120 160.913,1121 52.232,1122 6.057,1123 6.741,1124 7.594,1125 5.615,1126 5.605,1127 8.026,1128 3.306,1129 22.937,1130 5.357,1131 11.964,1132 1.532,1133 1.578,1134 1.559,1135 1.531,1136 1.53,1137 2.091,1138 0.14,1139 4.598,1140 1.492,1141 4.24,1142 4.243,1143 4.78,1144 4.198,1145 7.716,1146 4.148,1147 4.037,1148 4.062,1149 4,1150 3.97,1151 7.428,1152 3.974,1153 3.87,1154 3.925,1155 3.918,1156 3.73,1157 6.999,1158 3.719,1159 3.712,1160 3.695,1161 3.74,1162 3.666,1163 5,1164 3.59,1165 3.44,1166 3.494,1167 3.361,1168 3.325,1169 4.87,1170 3.312,1171 3.369,1172 3.397,1173 3.309,1174 3.182,1175 4.412,1176 3.194,1177 3.153,1178 3.206,1179 3.079,1180 2.944,1181 4.343,1182 2.965,1183 3.111,1184 3.204,1185 2.866,1186 2.941,1187 4.314,1188 2.91,1189 0.144,1190 0.135,1191 0.223,1192 0.13,1193 0.103,1194 5.057,1195 0.144,1196 4.741,1197 0.054,1198 7.792,1199 0.408,1200 4.54,1201 0.096,1202 3.605,1203 5.026,1204 1.907,1205 14.27,1206 3.357,1207 2.106,1208 2.105,1209 2.144,1210 2.153,1211 1.391,1212 2.177,1213 1.944,1214 1.921,1215 2.051,1216 2.051,1217 1.342,1218 2.054,1219 1.824,1220 1.772,1221 1.994,1222 1.982,1223 1.161,1224 1.995,1225 1.627,1226 1.647,1227 1.66,1228 1.774,1229 0.825,1230 1.796,1231 1.409,1232 1.373,1233 1.513,1234 1.561,1235 0.81,1236 1.576,1237 1.277,1238 1.226,1239 1.46,1240 1.543,1241 0.603,1242 1.516,1243 1.153,1244 1.064,1245 1.39,1246 1.376,1247 0.595,1248 1.429,1249 1.1,1250 1.05,1251 1.261,1252 1.302,1253 0.391,1254 1.313,1255 4.263,1257 5.617,1258 2.398,1259 7.18,1260 4.727,1261 8.837,1262 6.862,1263 10.543,1271 3.239,1272 6.187,1275 -0.04,1280 35.158,1281 88.675,1282 191.023,1283 235.606,1284 264.825,1285 277.58,1286 281.58,1287 64.309,1288 8.252,1289 93.09,1290 101.47,1291 29,1292 12.921,1293 4.644,1294 3.858,1295 43.579,1296 124,1297 136,1298 0.17,1299 215.45,1300 363.54,1301 517.458,1302 49046,1304 21.424,1305 0.691,1306 0.568,1307 21.674,1308 17.601,1309 15.037,1310 0.43,1311 0.334,1312 10.275,1313 13.827,1314 9.983,1315 8.228,1316 15.826,1317 11.706,1318 13.965,1319 0.274,1320 0.186,1321 15.247,1322 9.493,1323 12.168,1324 0.171,1325 0.105,1326 13.482,1327 7.429,1328 10.514,1329 0.11,1330 0.058,1331 11.88,1332 5.596,1333 8.556,1334 0.07,1335 0.033,1336 9.863,1337 4.033,1338 0.265,1339 101.563,1340 0.205,1341 28.858,1342 0.475,1343 172,1344 492.023,1345 226.876,1346 499.726,1347 687.34,1348 462,1349 208,1350 487.752,1351 274.225,1352 530.728,1353 784.2,1354 500,1355 5.699} {0 CHEMBL483365,1 1.447,2 14.969,3 4.239,4 17.968,5 126.755,6 6.945,7 0.472,8 4.219,9 4.345,10 3.742,11 3.759,12 5.207,13 3.727,14 4.8,15 4.989,16 4.099,17 4.166,18 5.743,19 4.112,20 5.079,21 5.304,22 4.156,23 4.341,24 6.003,25 4.247,26 5.125,27 5.374,28 4.006,29 4.354,30 5.9,31 4.206,32 5.139,33 5.412,34 3.902,35 4.307,36 5.873,37 4.139,38 5.084,39 5.366,40 3.773,41 4.184,42 5.813,43 4.009,44 4.96,45 5.251,46 3.633,47 4.026,48 5.684,49 3.861,50 4.778,51 5.04,52 3.572,53 3.95,54 5.523,55 3.794,56 0.04,57 0.916,58 13.859,59 5.766,60 6.953,61 7.962,62 0.251,63 1.529,64 26.662,65 9.462,66 23.235,67 13.583,68 0.531,69 1.907,70 36.534,71 12.603,72 49.68,73 18.233,74 0.282,75 1.925,76 38.04,77 14.805,78 31.744,79 21.299,80 0.272,81 1.903,82 39.17,83 14.817,84 34.68,85 21.761,86 0.298,87 1.766,88 37.656,89 13.537,90 36.287,91 20.046,92 0.388,93 1.548,94 33.863,95 11.273,96 36.939,97 16.822,98 0.262,99 1.318,100 27.392,101 10.172,102 25.48,103 14.673,104 5,105 50,106 0.232,107 0.552,108 0.753,109 0.865,110 0.865,111 0.865,112 3.501,113 0.962,114 -3.85,115 -3.81,116 -3.62,119 41.9,120 1,121 3,125 6,140 8,141 2,142 3,144 2,156 1,169 10,172 8,174 1,176 1,178 11,181 2,182 7,184 1,186 2,189 9,192 1,193 6,197 2,199 8,203 7,208 1,211 3,215 9,220 1,222 1,225 1,226 6,233 2,237 2,240 1,244 4,248 1,249 4,256 6,259 1784,260 22.032,261 22.032,262 22.032,263 22.032,264 22.032,265 19.867,266 28.788,267 13.069,268 22.459,269 17.813,270 17.813,271 17.813,272 17.813,273 17.813,274 14.451,275 37,276 6.259,277 18.505,278 4.507,279 2.514,280 1.258,281 0.561,282 0.561,283 0.561,284 4.217,288 1,289 1,290 1071,291 3,295 472.458,299 314.843,302 2.289,303 21.117,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 479,316 4.551,317 3.653,318 6.695,319 4.108,320 3.139,321 4.474,322 2.03,323 10.856,324 3.046,325 4.302,326 3.28,327 6.212,328 3.921,329 2.96,330 3.93,331 0.892,332 9.341,333 2.845,334 3.856,335 3.035,336 5.807,337 3.583,338 2.648,339 3.249,340 0.8,341 8.001,342 2.474,343 3.677,344 2.878,345 5.328,346 3.375,347 2.398,348 2.958,349 0.8,350 6.893,351 2.354,352 3.535,353 2.645,354 5.269,355 3.309,356 2.356,357 2.735,358 0.141,359 6.739,360 2.227,361 3.423,362 2.572,363 4.962,364 3.068,365 2.068,366 2.637,368 5.781,369 2.055,370 3.337,371 2.256,372 4.952,373 3.004,374 2.039,375 2.496,377 5.734,378 1.961,379 3.032,380 1.987,381 4.56,382 2.595,383 1.618,384 2.249,386 4.5,387 1.579,388 2.885,389 1.665,390 4.388,391 2.513,392 1.573,393 2.01,395 4.285,396 1.475,397 2.795,398 1.507,399 4.039,400 2.462,401 1.469,402 1.865,404 3.485,405 1.454,406 2.479,407 1.429,408 3.61,409 2.325,410 1.349,411 1.477,413 3,414 1.313,415 2.235,416 1.32,417 3.414,418 1.967,419 1,420 1.144,422 2.275,423 0.965,424 2.011,425 1.146,426 3.363,427 1.82,428 0.848,429 1,431 2.004,432 0.822,433 2,434 0.889,435 3.29,436 1.726,437 0.791,438 0.937,440 1.855,441 0.732,442 1.55,443 0.74,444 2.992,445 1.429,446 0.458,447 0.49,449 1.07,450 0.443,451 15.267,452 0.477,453 0.691,454 0.022,455 40.25,456 1.258,457 19,458 0.594,459 21.25,460 0.664,461 28.878,462 0.902,463 34.533,464 0.557,465 28.012,466 0.875,467 7.696,468 0.241,469 7.957,470 0.249,471 0.055,473 0.314,479 0.805,480 1.404,481 0.834,482 1.146,483 0.587,484 1.014,485 1.075,486 1.176,487 0.946,488 0.993,489 0.602,490 0.95,491 1.056,492 0.955,493 1.064,494 0.944,495 0.941,496 0.985,497 0.678,498 1.07,499 1.018,500 1.119,501 0.518,502 1.112,503 0.594,504 1.02,505 0.969,506 1.062,507 0.608,508 1.058,509 0.755,510 1.068,511 1,512 1.069,513 0.699,514 1.063,515 1.016,516 0.854,517 1.021,518 0.878,519 0.956,520 0.932,521 0.867,522 0.961,523 1.046,524 1.035,525 0.868,526 1.06,527 6,528 0.136,529 3.333,530 1.625,531 1.756,532 0.715,533 0.623,534 0.351,535 0.156,536 0.175,537 18150,538 41769,539 2.174,540 48.4,541 4,542 20,545 1,546 3,547 2,550 1.735,551 2.087,552 3.83,553 -0.403,555 1,559 89.742,560 1.447,561 3.441,562 4.697,563 5.394,564 5.394,565 5.394,566 3.243,567 4.562,568 4.976,569 4.04,570 2003.72,571 8.643,572 31772.5,574 1,577 369.16,578 1.198,579 4.954,580 0.167,581 0.006,582 0.067,583 0.032,584 0.041,585 0.019,586 0.019,587 0.013,588 0.006,589 0.007,590 0.375,591 0.5,592 0.88,593 0.406,594 173.443,595 0.003,596 -0.203,597 0.077,598 -0.066,599 0.003,600 0.001,601 -0.026,602 -0.044,603 0.022,604 0.004,605 0.076,606 0.018,607 0.024,608 0.115,609 -0.079,610 0.029,611 0.033,612 -0.023,613 -0.001,614 -0.087,615 -0.071,616 -0.102,617 0.027,618 -0.098,619 0.007,620 -0.066,621 -0.018,622 -0.062,623 0.01,624 -0.045,625 -0.012,626 -0.129,627 -0.028,628 -0.092,629 -0.009,630 -0.067,631 -0.08,632 0.097,633 -0.02,634 0.063,635 -0.079,636 0.035,637 -0.042,639 -0.077,640 -0.042,641 -0.079,642 -0.062,643 1.747,644 4.516,645 0.813,646 36.25,647 0.993,648 1.126,649 2.621,650 6.871,651 0.659,652 3.611,653 3.932,654 4.205,655 4.477,656 4.754,657 4.779,658 4.868,659 4.977,660 5.024,661 4.984,662 8.818,663 0.619,664 430.6,665 3.611,666 5.153,667 6.004,668 6.878,669 7.744,670 8.622,671 9.493,672 10.373,673 11.247,674 12.127,675 6.5,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 62,716 18,717 2,718 36,720 66,721 26,722 15,723 6,724 6,730 5,731 7,736 1,743 3,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 32,833 9,834 1,835 1,838 2,847 3.2,850 1,852 1,854 15.333,855 11.35,856 6.944,857 3.99,858 3.438,859 1.411,860 1.011,861 6.288,862 11.803,863 3.839,864 4.419,865 4.978,866 5.56,867 6.138,868 6.364,869 6.655,870 6.977,871 7.217,872 7.026,873 0.9,874 51,875 11.871,877 5.049,878 7.526,879 23.446,881 19.78,883 2.026,884 64.833,887 1,888 341.362,889 133.481,890 41.045,892 36.145,895 133.481,896 377.507,897 41.045,898 8.825,899 40.735,900 75.81,901 46.635,902 38.665,904 341.362,906 341.362,907 174.526,908 36.145,911 317.82,912 59.687,915 57.586,916 100.154,917 16.786,919 341.362,920 77.19,921 133.481,924 341.362,925 48.845,926 90.884,927 18.011,928 52.93,929 341.362,930 77.19,931 133.481,933 0.58,934 0.336,935 0.185,936 0.108,937 25,938 10,939 0.091,940 6,941 2,942 1.154,943 4.565,944 286.226,945 0.154,946 26,947 154,951 21.234,952 9.475,953 4.922,954 2.33,955 77.19,956 16.874,957 4.684,961 5.183,963 18.011,964 552.032,965 45.5,970 11.516,974 -0.08,975 61.549,976 69.81,977 0.243,978 0.578,979 0.789,980 0.906,981 0.906,982 0.906,983 5.083,984 1.618,985 5.974,986 5.734,987 4.615,988 5.106,989 2.452,990 6.76,991 4.541,992 6.264,993 1.573,994 7.512,995 4.5,996 4.111,997 4.89,998 1.738,999 7.591,1000 4.001,1001 7.56,1002 1.469,1003 9.146,1004 4.285,1005 6.184,1006 7.279,1007 3.301,1008 10.69,1009 6.034,1010 8.888,1011 1.349,1012 10.84,1013 3.485,1014 6.494,1015 7.909,1016 3.226,1017 12.378,1018 6.304,1019 10.249,1020 1,1021 12.574,1022 3,1023 8.018,1024 9.786,1025 4.5,1026 14.991,1027 7.793,1028 11.635,1029 0.848,1030 14.335,1031 2.275,1032 8.731,1033 10.838,1034 4.754,1035 17.056,1036 8.468,1037 13.04,1038 0.791,1039 16.119,1040 2.004,1041 10.017,1042 12.496,1043 5.815,1044 19.502,1045 9.722,1046 3.139,1047 0.458,1048 17.919,1049 1.855,1050 10.935,1051 13.766,1052 6.249,1053 21.735,1054 10.605,1055 2.96,1056 10.856,1057 19.733,1058 1.07,1059 12.118,1060 15.325,1061 7.175,1062 24.125,1063 11.757,1064 2.648,1065 9.341,1066 21.559,1067 4.474,1068 13.139,1069 16.703,1070 7.714,1071 26.433,1072 12.746,1073 2.398,1074 8.001,1075 23.395,1076 3.93,1077 14.28,1078 18.219,1079 8.557,1080 28.807,1081 13.857,1082 2.356,1083 6.893,1084 25.239,1085 3.249,1086 15.353,1087 19.652,1088 9.16,1089 31.149,1090 14.898,1091 2.068,1092 6.739,1093 27.09,1094 2.958,1095 16.479,1096 21.15,1097 9.952,1098 33.52,1099 15.995,1100 2.039,1101 5.781,1102 28.947,1103 2.735,1104 17.577,1105 22.61,1106 10.594,1107 35.879,1108 17.063,1109 16544,1110 25278,1111 24.849,1112 40.83,1113 53.419,1114 54.803,1115 54.427,1116 53.414,1117 53.43,1118 67.299,1119 9.327,1120 151.64,1121 51.486,1122 5.551,1123 5.653,1124 6.379,1125 5.216,1126 5.139,1127 7.474,1128 3.634,1129 18.031,1130 5.046,1131 11.35,1132 1.484,1133 1.522,1134 1.512,1135 1.484,1136 1.484,1137 1.869,1138 0.259,1139 4.212,1140 1.43,1141 4.095,1142 4.129,1143 4.053,1144 4.015,1145 7.429,1146 4.021,1147 3.981,1148 4.007,1149 3.929,1150 3.891,1151 4.984,1152 3.894,1153 3.813,1154 3.881,1155 3.7,1156 3.63,1157 4.845,1158 3.637,1159 3.621,1160 3.677,1161 3.507,1162 3.462,1163 4.444,1164 3.461,1165 3.514,1166 3.563,1167 3.416,1168 3.394,1169 4.321,1170 3.39,1171 3.435,1172 3.484,1173 3.304,1174 3.255,1175 4.272,1176 3.268,1177 3.145,1178 3.219,1179 3.02,1180 2.979,1181 4.004,1182 2.976,1183 3.111,1184 3.206,1185 2.897,1186 2.941,1187 3.896,1188 2.91,1189 0.126,1190 0.101,1191 0.186,1192 0.114,1193 0.087,1194 4.551,1195 0.124,1196 3.653,1197 0.056,1198 6.695,1199 0.302,1200 4.108,1201 0.085,1202 3.139,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.021,1209 2.128,1210 2.147,1211 1.382,1212 2.144,1213 1.941,1214 1.917,1215 2.064,1216 2.06,1217 1.296,1218 2.058,1219 1.773,1220 1.705,1221 1.966,1222 1.979,1223 1.183,1224 1.98,1225 1.6,1226 1.543,1227 1.828,1228 1.798,1229 1.062,1230 1.811,1231 1.51,1232 1.461,1233 1.726,1234 1.662,1235 0.825,1236 1.683,1237 1.391,1238 1.348,1239 1.599,1240 1.602,1241 0.815,1242 1.61,1243 1.153,1244 1.065,1245 1.513,1246 1.376,1247 0.782,1248 1.429,1249 1.134,1250 1.064,1251 1.426,1252 1.352,1253 0.651,1254 1.377,1255 4.29,1257 5.609,1259 7.13,1261 8.745,1263 10.41,1265 2.044,1271 8.876,1272 2.893,1273 5.439,1276 5.074,1280 38.364,1281 89.742,1282 213.312,1283 291.186,1284 334.405,1285 334.405,1286 334.405,1287 44.459,1288 8.365,1289 57.7,1290 57.7,1291 30,1292 12.664,1293 4.248,1294 3.392,1295 46.291,1296 174,1297 140,1298 0.127,1299 232.027,1300 401.68,1301 557.907,1302 65058,1304 21.916,1305 0.685,1306 0.583,1307 21.916,1308 18.641,1309 15.653,1310 0.435,1311 0.321,1312 11.409,1313 15.123,1314 11.142,1315 9.181,1316 15.653,1317 11.549,1318 14.12,1319 0.282,1320 0.175,1321 14.12,1322 8.75,1323 11.921,1324 0.181,1325 0.097,1326 11.921,1327 6.428,1328 10.092,1329 0.116,1330 0.054,1331 10.092,1332 4.679,1333 8.702,1334 0.076,1335 0.03,1336 8.702,1337 3.461,1338 0.21,1339 97.407,1340 0.201,1341 30.86,1342 0.32,1343 172,1344 436.739,1345 186.361,1346 422.687,1347 589.71,1348 400,1349 202,1350 441.091,1351 217.416,1352 446.492,1353 655.48,1354 422,1355 7.9} {0 CHEMBL483497,1 1.391,2 16.333,3 6.959,4 48.421,5 133.608,6 6.517,7 0.444,8 4.292,9 4.43,10 3.741,11 3.841,12 5.254,13 3.785,14 4.88,15 5.081,16 4.071,17 4.258,18 5.794,19 4.164,20 5.2,21 5.46,22 4.109,23 4.406,24 6.05,25 4.271,26 5.244,27 5.516,28 4.031,29 4.389,30 6.068,31 4.233,32 5.217,33 5.503,34 3.975,35 4.333,36 5.991,37 4.172,38 5.146,39 5.425,40 3.963,41 4.292,42 6.035,43 4.135,44 5.099,45 5.381,46 3.895,47 4.25,48 5.876,49 4.09,50 5.051,51 5.329,52 3.849,53 4.19,54 5.857,55 4.037,56 0.063,57 1.045,58 16.185,59 6.865,60 8.118,61 9.612,62 0.218,63 1.723,64 29.852,65 11.718,66 25.798,67 16.803,68 0.319,69 2.15,70 41.844,71 15.647,72 47.793,73 22.586,74 0.351,75 2.124,76 43.775,77 16.052,78 52.417,79 23.416,80 0.368,81 1.989,82 42.589,83 15.457,84 46.906,85 22.809,86 0.547,87 1.929,88 39.9,89 14.354,90 75.099,91 21.321,92 0.325,93 1.828,94 37.714,95 13.991,96 40.156,97 20.606,98 0.319,99 1.752,100 36.102,101 13.195,102 40.893,103 19.246,104 17,105 48,106 0.219,107 0.514,108 0.683,109 0.803,110 0.847,111 0.857,112 3.531,113 1.045,114 -6.9,115 -6.7,116 -6.21,119 40.6,120 1,121 8,122 1,125 3,140 7,141 3,142 2,149 1,150 1,156 1,169 16,172 4,174 1,176 6,178 16,182 4,186 7,189 12,193 6,197 5,199 11,203 4,207 1,208 1,211 14,215 3,218 1,220 2,222 16,226 3,229 1,231 1,233 12,237 4,240 1,242 3,244 12,254 3,256 13,259 2291,260 22.714,261 22.714,262 22.714,263 22.714,264 22.714,265 20.742,266 22.096,267 13.879,268 22.98,269 17.768,270 17.768,271 17.768,272 17.768,273 17.768,274 14.744,275 27.183,276 6.63,277 18.204,278 4.717,279 2.85,280 1.778,281 1.018,282 0.736,283 0.678,284 4.23,289 1,290 1151,291 3.873,294 84.365,295 327.836,298 151.534,302 2.788,303 26.306,306 0.75,307 0.67,308 0.67,309 0.9,310 1,311 0.83,312 1,313 0.83,314 70,315 539,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.193,326 3.296,327 6.057,328 3.838,329 2.84,330 3.763,331 0.8,332 8.719,333 2.83,334 3.824,335 2.886,336 5.778,337 3.593,338 2.628,339 3.215,341 7.905,342 2.546,343 3.676,344 2.849,345 5.324,346 3.349,347 2.4,348 2.975,350 6.892,351 2.268,352 3.521,353 2.578,354 5.247,355 3.215,356 2.26,357 2.802,359 6.594,360 2.14,361 3.378,362 2.254,363 4.997,364 3.053,365 2.09,366 2.487,368 5.926,369 2.001,370 2.906,371 1.961,372 4.583,373 2.838,374 1.842,375 2.009,377 4.454,378 1.833,379 2.826,380 1.851,381 4.067,382 2.539,383 1.549,384 1.846,386 3.651,387 1.533,388 2.777,389 1.56,390 3.949,391 2.389,392 1.397,393 1.799,395 3.416,396 1.384,397 2.574,398 1.42,399 3.834,400 2.288,401 1.295,402 1.586,404 3.004,405 1.269,406 2.5,407 1.184,408 3.424,409 2.099,410 1.122,411 1.5,413 2.692,414 1.092,415 2.402,416 1.077,417 3.414,418 2,419 1,420 1.398,422 2.275,423 1,424 2.055,425 1,426 3.414,427 1.984,428 1,429 1,431 2.275,432 0.983,433 2,434 0.888,435 3.241,436 1.826,437 0.837,438 0.915,440 1.629,441 0.827,442 1.818,443 0.727,444 2.901,445 1.582,446 0.61,447 0.776,449 1.403,450 0.591,451 15.819,452 0.479,453 0.623,454 0.019,455 36.25,456 1.098,457 16,458 0.485,459 20.25,460 0.614,461 34.289,462 1.039,463 36.981,464 0.536,465 25.7,466 0.779,467 6.377,468 0.193,469 9.758,470 0.296,471 0.071,473 0.278,477 1,479 0.661,480 1.203,481 0.913,482 1.138,483 0.516,484 1.068,485 0.68,486 1.134,487 0.982,488 1.128,489 0.476,490 1.095,491 0.854,492 1.006,493 0.949,494 1.008,495 0.715,496 0.99,497 0.839,498 0.96,499 0.973,500 1.022,501 0.762,502 1.013,503 0.699,504 0.83,505 0.872,506 0.918,507 0.668,508 0.917,509 0.533,510 0.806,511 0.895,512 0.931,513 0.416,514 0.949,515 0.604,516 0.886,517 0.878,518 0.956,519 0.523,520 0.949,521 0.781,522 0.881,523 0.912,524 0.939,525 0.719,526 0.94,527 5.5,528 0.165,529 3.333,530 1.507,531 1.423,532 0.872,533 0.514,534 0.51,535 0.364,536 0.197,537 17599,538 36515,539 2.097,540 52.2,541 14,542 13,543 1,545 2,547 6,550 1.748,551 2,552 3.943,553 0.102,559 96.01,560 1.391,561 3.259,562 4.331,563 5.09,564 5.373,565 5.431,566 3.513,567 4.514,568 5.001,569 4.111,570 2170.66,571 8.744,572 34686.2,577 421.488,578 1.241,579 4.992,580 0.153,581 0.006,582 0.069,583 0.031,584 0.033,585 0.021,586 0.013,587 0.013,588 0.01,589 0.006,590 0.356,591 0.33,592 0.88,593 1.537,594 179.972,595 -0.013,596 -0.058,597 0.046,598 0.007,599 0.005,600 0.029,601 0.038,602 -0.084,603 -0.019,604 -0.067,605 0.091,606 -0.053,607 -0.022,608 -0.034,609 0.021,610 -0.008,611 0.053,612 0.01,613 -0.025,614 -0.053,615 -0.008,616 -0.043,617 0.023,618 -0.026,619 0.023,620 -0.006,621 0.082,622 0.04,623 0.023,624 0.062,625 0.203,626 0.082,627 0.065,628 0.033,629 0.215,630 0.032,631 0.063,632 -0.006,633 0.071,634 0.019,635 0.051,636 0.042,637 0.01,638 0.002,639 0.051,640 0.029,641 0.023,642 0.042,643 2.011,644 5.535,645 0.636,646 50.125,647 0.988,648 1.132,649 5.666,650 32.105,651 0.643,652 3.611,653 3.892,654 4.143,655 4.382,656 4.615,657 4.71,658 4.844,659 5.011,660 5.106,661 5.209,662 8.929,663 0.596,664 449.67,665 3.611,666 5.13,667 5.964,668 6.821,669 7.677,670 8.547,671 9.415,672 10.293,673 11.169,674 12.053,675 4.3,678 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,702 1,713 1,714 69,716 17,717 2,718 36,720 72,721 28,722 14,723 5,724 7,725 1,730 4,731 5,736 1,740 2,741 1,743 8,745 15,746 13,747 1,750 1,755 1,759 1,762 1,764 36,765 4,766 2,767 5,773 3,777 0.75,778 1,788 1,792 1,793 3,796 1,815 1,819 3,823 1,825 1,827 33,833 11,834 1,837 1,838 1,846 1,847 1.4,850 1,854 16.5,855 12.26,856 7.444,857 4.836,858 3.004,859 1.37,860 0.983,861 8.443,862 11.118,863 3.829,864 4.366,865 4.926,866 5.494,867 6.005,868 6.307,869 6.674,870 7.071,871 7.241,872 7.582,873 1,874 48,875 12.313,877 5.196,878 7.606,879 24.337,881 20.441,883 2.106,884 69.5,888 400.217,889 138.47,890 37.921,892 25.145,893 14.96,895 138.47,896 425.362,897 52.881,898 8.825,899 44.604,900 75.381,901 29.85,902 40.732,903 28.875,904 388.446,906 400.217,907 176.391,908 40.105,911 344.551,912 95.772,915 73.339,916 103.052,919 415.178,920 63.066,921 138.47,924 400.217,925 54.264,926 87.331,927 34.796,928 40.105,929 400.217,930 78.026,931 138.47,933 0.566,934 0.322,935 0.167,936 0.092,937 21,938 9,939 0.139,940 10,941 1,942 1.095,943 4.613,944 287.984,945 0.095,946 21,947 158.465,951 23.821,952 11.696,953 6.383,954 2.278,955 61.24,956 13.756,958 3.406,961 2.215,963 34.796,964 616.713,965 45,970 12.535,974 -0.227,975 68.167,976 78.102,977 0.228,978 0.534,979 0.709,980 0.833,981 0.88,982 0.889,983 5.05,984 1.549,985 5.916,986 4.454,987 4.575,988 5.053,989 1.435,990 6.681,991 4.529,992 6.213,993 1.397,994 7.441,995 3.651,996 4.007,997 4.783,998 0.325,999 7.496,1000 3.929,1001 7.494,1002 1.295,1003 9.069,1004 3.416,1005 6.116,1006 7.206,1007 1.379,1008 10.598,1009 6.03,1010 8.815,1011 1.122,1012 10.759,1013 3.004,1014 6.415,1015 7.853,1016 0.268,1017 12.303,1018 6.312,1019 10.174,1020 1,1021 12.493,1022 2.692,1023 7.943,1024 9.729,1025 1.406,1026 14.912,1027 7.831,1028 11.561,1029 1,1030 14.256,1031 2.275,1032 8.66,1033 10.812,1034 0.188,1035 16.996,1036 8.542,1037 12.969,1038 0.837,1039 16.043,1040 2.275,1041 9.944,1042 12.465,1043 1.462,1044 19.446,1045 9.817,1046 3.174,1047 0.61,1048 17.847,1049 1.629,1050 10.872,1051 13.763,1052 0.125,1053 21.698,1054 10.741,1055 2.84,1056 10.947,1057 19.665,1058 1.403,1059 12.055,1060 15.323,1061 1.533,1062 24.098,1063 11.916,1064 2.628,1065 8.719,1066 21.495,1067 4.52,1068 13.087,1069 16.727,1070 0.082,1071 26.425,1072 12.944,1073 2.4,1074 7.905,1075 23.335,1076 3.763,1077 14.232,1078 18.25,1079 1.613,1080 28.812,1081 14.081,1082 2.26,1083 6.892,1084 25.184,1085 3.215,1086 15.315,1087 19.705,1088 0.054,1089 31.173,1090 15.16,1091 2.09,1092 6.594,1093 27.039,1094 2.975,1095 16.449,1096 21.213,1097 1.698,1098 33.559,1099 16.285,1100 1.842,1101 5.926,1102 28.901,1103 2.802,1104 17.56,1105 22.694,1106 0.035,1107 35.935,1108 17.389,1109 16938,1110 24945,1111 24.444,1112 44.353,1113 52.576,1114 53.753,1115 54.134,1116 52.572,1117 52.467,1118 65.571,1119 3.717,1120 144.251,1121 51.246,1122 5.587,1123 5.574,1124 6.682,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 14.213,1132 1.46,1133 1.493,1134 1.504,1135 1.46,1136 1.457,1137 1.821,1138 0.103,1139 4.007,1140 1.424,1141 4.151,1142 4.186,1143 4.107,1144 4.067,1145 8.201,1146 4.072,1147 3.921,1148 3.945,1149 3.875,1150 3.843,1151 7.429,1152 3.845,1153 3.852,1154 3.918,1155 3.725,1156 3.711,1157 4.965,1158 3.704,1159 3.741,1160 3.807,1161 3.579,1162 3.619,1163 4.603,1164 3.602,1165 3.553,1166 3.623,1167 3.439,1168 3.414,1169 4.371,1170 3.398,1171 3.473,1172 3.535,1173 3.331,1174 3.288,1175 4.297,1176 3.299,1177 3.268,1178 3.349,1179 3.157,1180 3.082,1181 4.187,1182 3.082,1183 3.185,1184 3.225,1185 3.028,1186 3.002,1187 3.989,1188 3.009,1189 0.127,1190 0.099,1191 0.187,1192 0.116,1193 0.088,1194 4.587,1195 0.126,1196 3.574,1197 0.029,1198 6.719,1199 0.304,1200 4.163,1201 0.087,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.095,1210 2.072,1211 1.463,1212 2.081,1213 1.889,1214 1.864,1215 2.043,1216 2.022,1217 1.386,1218 2.025,1219 1.839,1220 1.785,1221 2.002,1222 1.962,1223 1.191,1224 1.976,1225 1.773,1226 1.712,1227 1.96,1228 1.931,1229 1.131,1230 1.954,1231 1.591,1232 1.521,1233 1.869,1234 1.774,1235 1.055,1236 1.809,1237 1.43,1238 1.361,1239 1.655,1240 1.655,1241 0.899,1242 1.656,1243 1.274,1244 1.209,1245 1.565,1246 1.519,1247 0.825,1248 1.538,1249 1.204,1250 1.15,1251 1.513,1252 1.439,1253 0.719,1254 1.429,1255 4.29,1257 5.58,1258 2.398,1259 7.06,1260 4.727,1261 8.632,1262 6.843,1263 10.255,1265 2.267,1267 13.141,1271 14.006,1272 2.955,1275 0.544,1276 2.625,1280 41.118,1281 96.01,1282 224.87,1283 298.817,1284 351.224,1285 370.733,1286 374.733,1287 65.567,1288 8.114,1289 48.13,1290 48.13,1291 23,1292 12.588,1293 4.17,1294 3.322,1295 54.735,1296 171,1297 230,1298 0.151,1299 251.941,1300 437.56,1301 606.495,1302 43552,1303 1.4,1304 23.045,1305 0.698,1306 0.597,1307 22.175,1308 19.708,1309 16.135,1310 0.448,1311 0.348,1312 12.435,1313 15.714,1314 12.171,1315 10.141,1316 15.742,1317 12.541,1318 13.914,1319 0.29,1320 0.195,1321 13.293,1322 9.349,1323 11.611,1324 0.187,1325 0.112,1326 11.2,1327 6.933,1328 9.353,1329 0.118,1330 0.063,1331 9.202,1332 4.946,1333 7.586,1334 0.076,1335 0.036,1336 7.375,1337 3.558,1338 0.247,1339 99.73,1340 0.202,1341 31.627,1342 0.391,1343 168,1344 438.157,1345 179.901,1346 405.525,1347 551.84,1348 380,1349 194,1350 402.308,1351 205.398,1352 404.601,1353 590.74,1354 383,1355 6} {0 CHEMBL483498,1 1.568,2 12.643,3 3.266,4 10.664,5 107.623,6 7.336,7 0.516,8 4.051,9 4.173,10 3.597,11 3.59,12 5.142,13 3.57,14 4.603,15 4.774,16 3.953,17 4.011,18 5.671,19 3.962,20 4.908,21 5.131,22 3.995,23 4.164,24 5.919,25 4.073,26 4.961,27 5.203,28 3.907,29 4.145,30 5.925,31 4.029,32 4.946,33 5.207,34 3.827,35 4.056,36 5.889,37 3.937,38 4.811,39 5.063,40 3.775,41 3.965,42 5.895,43 3.853,44 4.679,45 4.927,46 3.683,47 3.883,48 5.641,49 3.774,50 4.605,51 4.842,52 3.637,53 3.794,54 5.633,55 3.7,56 0.053,57 0.824,58 10.903,59 4.853,60 11.152,61 6.284,62 0.202,63 1.353,64 20.524,65 8.205,66 27.584,67 11.013,68 0.362,69 1.69,70 30.296,71 11.28,72 51.791,73 15.437,74 0.313,75 1.663,76 32.565,77 11.994,78 55.588,79 16.76,80 0.42,81 1.515,82 33.338,83 11.523,84 66.741,85 16.339,86 0.56,87 1.404,88 28.886,89 9.864,90 85.745,91 14.08,92 0.275,93 1.261,94 24.623,95 9.026,96 40.182,97 12.783,98 0.252,99 1.186,100 22.788,101 8.212,102 39.578,103 11.351,104 12,105 43,106 0.261,107 0.628,108 0.78,109 0.848,110 0.848,111 0.848,112 3.374,113 0.934,114 -3.97,115 -3.92,116 -3.72,119 42.3,121 2,122 1,125 4,140 7,141 3,142 2,149 1,150 1,156 1,169 10,172 3,174 1,176 6,178 11,182 3,184 1,186 7,189 8,193 5,197 5,199 6,203 3,207 1,208 3,211 9,215 2,218 1,220 3,222 11,226 2,229 1,231 2,233 7,237 3,240 1,242 3,244 6,253 1,254 3,256 6,259 1296,260 19.179,261 19.179,262 19.179,263 19.179,264 19.179,265 17.206,266 21.405,267 11.354,268 19.486,269 15.268,270 15.268,271 15.268,272 15.268,273 15.268,274 12.244,275 26.412,276 5.332,277 15.775,278 4.133,279 1.933,280 1.022,281 0.615,282 0.615,283 0.615,284 4.073,287 1,288 1,289 1,290 766,291 3.162,294 66.019,295 258.092,298 117.9,302 2,303 30.359,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 61,315 354,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.193,326 3.296,327 6.057,328 3.838,329 2.84,330 3.763,331 0.8,332 8.719,333 2.83,334 3.823,335 2.886,336 5.778,337 3.591,338 2.626,339 3.215,341 7.904,342 2.545,343 3.676,344 2.852,345 5.321,346 3.344,347 2.397,348 2.975,350 6.881,351 2.262,352 3.519,353 2.58,354 5.247,355 3.208,356 2.256,357 2.802,359 6.591,360 2.129,361 3.373,362 2.254,363 4.997,364 3.048,365 2.087,366 2.482,368 5.926,369 1.994,370 2.884,371 1.961,372 4.582,373 2.525,374 1.54,375 2,377 4.445,378 1.515,379 2.78,380 1.634,381 4.066,382 2.29,383 1.301,384 1.807,386 3.419,387 1.272,388 2.571,389 1.468,390 3.945,391 2.136,392 1.167,393 1.583,395 2.99,396 1.125,397 2.5,398 1.175,399 3.414,400 2,401 1.034,402 1.5,404 2.275,405 1,406 2.146,407 1.077,408 3.414,409 1.984,410 1,411 1.108,413 2.275,414 0.983,415 2,416 1,417 3.263,418 1.964,419 1,420 1,422 1.889,423 0.954,424 1.977,425 0.755,426 3.133,427 1.575,428 0.609,429 0.828,431 1.452,432 0.587,433 1.217,434 0.501,435 2.784,436 0.895,437 -0.053,438 -0.061,440 -0.118,441 -0.049,442 1.113,443 0.345,444 2.443,445 0.73,446 -0.191,447 -0.213,449 -0.39,450 -0.172,451 13.152,452 0.47,453 0.623,454 0.022,455 34,456 1.214,457 16,458 0.571,459 18,460 0.643,461 23.811,462 0.85,463 30.648,464 0.589,465 25.315,466 0.904,467 6.71,468 0.24,469 6.925,470 0.247,471 0.072,473 0.335,477 1,479 0.734,480 1.127,481 0.8,482 1.026,483 0.617,484 0.941,485 0.749,486 1.072,487 0.921,488 1.036,489 0.581,490 1.011,491 0.84,492 0.994,493 0.99,494 1.015,495 0.745,496 1.024,497 0.763,498 0.979,499 0.994,500 1.097,501 0.723,502 1.089,503 0.804,504 0.786,505 0.9,506 0.911,507 0.814,508 0.926,509 0.678,510 0.733,511 0.92,512 0.884,513 0.617,514 0.935,515 0.634,516 0.894,517 0.874,518 0.976,519 0.604,520 0.969,521 0.826,522 0.938,523 0.935,524 1.008,525 0.811,526 0.993,527 5.5,528 0.124,529 3.333,530 1.507,531 1.423,532 0.872,533 0.494,534 0.466,535 0.332,536 0.171,537 10404,538 28440,539 2.115,540 46.2,541 1,542 15,543 1,545 3,547 4,550 1.708,551 2,552 3.609,553 0.882,554 1,555 1,559 81.521,560 1.568,561 3.768,562 4.678,563 5.085,564 5.085,565 5.085,566 3.098,567 4.522,568 4.773,569 3.735,570 1411.67,571 8.293,572 18841.5,574 1,576 1,577 296.423,578 1.333,579 4.748,580 0.177,581 0.006,582 0.078,583 0.035,584 0.037,585 0.025,586 0.015,587 0.015,588 0.011,589 0.007,590 0.407,591 0.33,592 1,593 0.86,594 141.845,595 -0.069,596 -0.049,597 0.027,598 0.04,599 -0.046,600 0.05,601 -0.033,602 -0.045,603 -0.045,604 -0.017,605 0.026,606 -0.03,607 -0.045,608 -0.014,609 -0.056,610 -0.019,611 0.005,612 -0.034,613 -0.038,614 -0.087,615 -0.054,616 -0.11,617 -0.001,618 -0.087,619 -0.026,620 -0.015,621 0.069,622 0.045,623 -0.034,624 0.068,625 0.127,626 0.126,627 0.045,628 0.073,629 0.129,630 0.048,631 0.038,632 -0.014,633 0.063,634 0.008,635 0.016,636 0.036,637 -0.022,638 -0.043,639 0.017,640 -0.034,641 -0.01,642 -0.007,643 2.028,644 5.417,645 0.75,646 29.592,647 1.004,648 1.131,649 2.739,650 7.501,651 0.658,652 3.466,653 3.784,654 4.06,655 4.317,656 4.554,657 4.644,658 4.779,659 4.934,660 5.004,661 5.094,662 7.026,663 0.628,664 381.49,665 3.466,666 5.004,667 5.855,668 6.73,669 7.599,670 8.481,671 9.359,672 10.244,673 11.128,674 12.017,675 5.8,678 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,702 1,713 1,714 52,716 17,717 2,718 31,720 55,721 22,722 14,723 5,724 7,725 1,730 4,731 5,736 1,740 2,741 1,743 2,745 15,746 7,747 1,750 1,755 1,759 1,761 1,762 1,764 24,765 5,766 3,767 6,773 3,777 0.75,778 2,779 1,788 1,792 1,793 3,796 1,815 1,817 1,819 3,825 1,827 28,832 1,833 6,834 1,837 1,838 1,846 1,847 3.8,848 1,850 1,854 14,855 8.96,856 6.194,857 3.186,858 3.015,859 1.389,860 0.986,861 5.648,862 10.767,863 3.714,864 4.301,865 4.889,866 5.474,867 5.99,868 6.294,869 6.664,870 7.062,871 7.228,872 7.567,873 0.889,874 43,875 10.406,877 4.509,878 7.857,879 19.956,881 16.863,883 2.357,884 66,887 1,888 247.193,889 114.438,890 37.921,892 67.828,893 14.96,895 114.438,896 315.021,897 52.881,899 29.397,900 118.064,901 29.85,902 40.732,903 28.875,904 235.422,906 247.193,907 152.359,908 82.788,911 215.069,912 72.229,913 42.683,915 49.307,916 103.052,919 262.153,920 105.749,921 114.438,924 247.193,925 39.057,926 78.505,927 34.796,928 82.788,929 247.193,930 120.709,931 114.438,933 0.577,934 0.337,935 0.18,936 0.1,937 21,938 9,939 0.091,940 5,941 1,942 1.095,943 4.051,944 241.419,945 0.095,946 21,947 126.606,951 18.975,952 8.335,953 4.236,954 2.171,955 103.923,956 13.437,958 3.332,961 2.059,963 77.48,964 482.34,965 40,970 12.417,974 -0.256,975 52.192,976 58.821,977 0.275,978 0.661,979 0.821,980 0.892,981 0.892,982 0.892,983 4.949,984 1.301,985 5.832,986 4.445,987 4.466,988 4.987,989 1.435,990 6.629,991 4.41,992 6.14,993 1.167,994 7.381,995 3.419,996 4.007,997 4.783,998 0.325,999 7.496,1000 3.929,1001 7.44,1002 1.034,1003 9.027,1004 2.99,1005 6.047,1006 7.184,1007 1.379,1008 10.585,1009 5.952,1010 8.776,1011 1,1012 10.732,1013 2.275,1014 6.415,1015 7.853,1016 0.268,1017 12.303,1018 6.312,1019 10.147,1020 1,1021 12.475,1022 2.275,1023 7.907,1024 9.723,1025 1.406,1026 14.909,1027 7.788,1028 11.542,1029 0.609,1030 14.245,1031 1.889,1032 8.66,1033 10.812,1034 0.188,1035 16.996,1036 8.541,1037 12.956,1038 -0.053,1039 16.035,1040 1.452,1041 9.927,1042 12.464,1043 1.462,1044 19.445,1045 9.796,1046 3.174,1047 -0.191,1048 17.842,1049 -0.118,1050 10.871,1051 13.763,1052 0.125,1053 21.698,1054 10.741,1055 2.84,1056 10.947,1057 19.662,1058 -0.39,1059 12.047,1060 15.323,1061 1.533,1062 24.098,1063 11.906,1064 2.626,1065 8.719,1066 21.493,1067 4.52,1068 13.086,1069 16.727,1070 0.082,1071 26.425,1072 12.944,1073 2.397,1074 7.904,1075 23.334,1076 3.763,1077 14.228,1078 18.25,1079 1.613,1080 28.812,1081 14.077,1082 2.256,1083 6.881,1084 25.183,1085 3.215,1086 15.315,1087 19.705,1088 0.054,1089 31.173,1090 15.159,1091 2.087,1092 6.591,1093 27.038,1094 2.975,1095 16.447,1096 21.213,1097 1.698,1098 33.558,1099 16.283,1100 1.54,1101 5.926,1102 28.9,1103 2.802,1104 17.559,1105 22.694,1106 0.035,1107 35.935,1108 17.388,1109 9913,1110 16532,1111 20.978,1112 34.239,1113 46.509,1114 47.508,1115 47.764,1116 46.175,1117 46.063,1118 59.163,1119 3.717,1120 131.425,1121 44.664,1122 5.587,1123 5.574,1124 6.489,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 12.396,1132 1.5,1133 1.533,1134 1.541,1135 1.49,1136 1.486,1137 1.908,1138 0.12,1139 4.24,1140 1.441,1141 4.149,1142 4.184,1143 4.106,1144 4.066,1145 8.201,1146 4.071,1147 3.92,1148 3.945,1149 3.875,1150 3.842,1151 7.429,1152 3.845,1153 3.825,1154 3.89,1155 3.707,1156 3.676,1157 6.456,1158 3.674,1159 3.521,1160 3.576,1161 3.444,1162 3.345,1163 4.965,1164 3.358,1165 3.413,1166 3.475,1167 3.273,1168 3.196,1169 4.603,1170 3.205,1171 3.198,1172 3.228,1173 3.127,1174 3.009,1175 4.361,1176 3.034,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 4.262,1182 2.91,1183 2.982,1184 3.052,1185 2.858,1186 2.807,1187 3.821,1188 2.81,1189 0.148,1190 0.115,1191 0.217,1192 0.134,1193 0.102,1194 4.587,1195 0.146,1196 3.574,1197 0.034,1198 6.719,1199 0.353,1200 4.163,1201 0.101,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.97,1208 1.946,1209 2.086,1210 2.069,1211 1.451,1212 2.076,1213 1.887,1214 1.863,1215 2.006,1216 2.015,1217 1.152,1218 2.015,1219 1.823,1220 1.771,1221 1.96,1222 1.958,1223 1.057,1224 1.96,1225 1.514,1226 1.452,1227 1.739,1228 1.738,1229 0.994,1230 1.739,1231 1.341,1232 1.273,1233 1.567,1234 1.602,1235 0.825,1236 1.596,1237 1.21,1238 1.177,1239 1.513,1240 1.458,1241 0.69,1242 1.429,1243 1.153,1244 1.064,1245 1.332,1246 1.376,1247 0.429,1248 1.421,1249 0.95,1250 0.903,1251 1.184,1252 1.196,1253 0.297,1254 1.196,1255 4.143,1257 5.46,1258 2.398,1259 6.971,1260 4.727,1261 8.568,1262 6.843,1263 10.21,1267 13.054,1270 9.108,1271 5.019,1272 2.902,1275 0.465,1276 2.291,1280 32.672,1281 81.521,1282 195.911,1283 243.262,1284 264.423,1285 264.423,1286 264.423,1287 52.53,1288 7.752,1289 68.36,1290 68.36,1291 23,1292 12.548,1293 4.17,1294 3.322,1295 42.554,1296 116,1297 135,1298 0.178,1299 198.383,1300 342.55,1301 475.814,1302 25882,1303 1.9,1304 19.51,1305 0.697,1306 0.558,1307 18.64,1308 15.619,1309 13.635,1310 0.44,1311 0.311,1312 9.523,1313 13.126,1314 9.371,1315 7.691,1316 13.242,1317 9.65,1318 12.147,1319 0.282,1320 0.17,1321 11.525,1322 7.305,1323 10.342,1324 0.181,1325 0.097,1326 9.931,1327 5.522,1328 8.548,1329 0.116,1330 0.054,1331 8.397,1332 3.971,1333 6.938,1334 0.074,1335 0.03,1336 6.727,1337 2.836,1338 0.282,1339 85.437,1340 0.218,1341 26.994,1342 0.478,1343 148,1344 450.307,1345 161.341,1346 410.647,1347 550.64,1348 384,1349 174,1350 391.823,1351 186.45,1352 392.455,1353 574.27,1354 371,1355 6} {0 CHEMBL484059,1 1.446,2 15.4,3 4.991,4 24.908,5 137.726,6 7.375,7 0.575,8 4.25,9 4.366,10 3.829,11 3.831,12 5.289,13 3.807,14 4.805,15 4.972,16 4.192,17 4.239,18 5.806,19 4.197,20 5.088,21 5.295,22 4.261,23 4.408,24 6.06,25 4.328,26 5.127,27 5.357,28 4.132,29 4.41,30 5.977,31 4.285,32 5.152,33 5.412,34 4.067,35 4.38,36 5.958,37 4.243,38 5.082,39 5.336,40 3.978,41 4.298,42 5.904,43 4.159,44 4.984,45 5.236,46 3.868,47 4.181,48 5.806,49 4.041,50 4.871,51 5.127,52 3.8,53 4.071,54 5.672,55 3.942,56 0.031,57 0.909,58 12.801,59 5.711,60 7.597,61 7.495,62 0.23,63 1.55,64 24.656,65 9.442,66 23.038,67 12.688,68 0.493,69 1.978,70 35.007,71 12.934,72 49.351,73 17.726,74 0.261,75 2.007,76 36.803,77 14.781,78 35.01,79 20.606,80 0.281,81 2.032,82 39.21,83 15.122,84 39.506,85 21.594,86 0.31,87 1.891,88 36.51,89 13.98,90 39.645,91 19.723,92 0.35,93 1.705,94 33.265,95 12.588,96 40.237,97 17.717,98 0.292,99 1.535,100 29.736,101 10.964,102 31.309,103 15.622,104 2,105 56,106 0.228,107 0.535,108 0.695,109 0.844,110 0.859,111 0.859,112 3.588,113 0.916,114 -4.5,115 -4.42,116 -4.17,119 46,121 1,125 6,140 13,141 3,142 3,144 2,156 1,169 14,172 8,174 1,176 1,178 15,181 2,182 9,184 1,186 2,189 11,192 1,193 9,197 2,199 9,203 8,211 9,215 6,218 1,222 8,225 2,226 6,233 8,236 1,237 3,244 7,249 3,252 1,256 9,259 2314,260 24.394,261 24.394,262 24.394,263 24.394,264 24.394,265 21.593,266 24.531,267 14.443,268 24.809,269 19.801,270 19.801,271 19.801,272 19.801,273 19.801,274 15.517,275 34.837,276 6.913,277 20.48,278 4.532,279 2.589,280 1.577,281 0.635,282 0.54,283 0.54,284 4.314,289 1,290 1222,291 2.739,295 605.392,299 330.745,302 2.583,303 22.303,306 1,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.85,314 74,315 539,316 4.568,317 3.653,318 6.701,319 4.125,320 3.155,321 4.489,322 2.03,323 10.88,324 3.064,325 4.302,326 3.282,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 4.152,335 3.041,336 6.156,337 3.796,338 2.824,339 3.731,340 0.8,341 9.115,342 2.753,343 3.744,344 2.923,345 5.738,346 3.525,347 2.578,348 3.057,349 0.8,350 7.744,351 2.435,352 3.675,353 2.784,354 5.374,355 3.358,356 2.376,357 2.962,358 0.141,359 7.003,360 2.326,361 3.47,362 2.553,363 5.2,364 3.182,365 2.227,366 2.653,368 6.534,369 2.121,370 3.372,371 2.427,372 4.952,373 3.028,374 2.038,375 2.627,377 5.776,378 1.998,379 3.256,380 1.978,381 4.658,382 2.796,383 1.81,384 2.467,386 4.751,387 1.783,388 3.037,389 1.834,390 4.402,391 2.576,392 1.599,393 2.267,395 4.321,396 1.562,397 2.885,398 1.649,399 4.386,400 2.508,401 1.567,402 2.01,404 4.276,405 1.467,406 2.783,407 1.483,408 4.036,409 2.42,410 1.442,411 1.847,413 3.468,414 1.405,415 2.624,416 1.347,417 3.506,418 2.125,419 1.13,420 1.685,422 2.663,423 1.124,424 2.5,425 1.146,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.234,434 1.13,435 3.379,436 1.967,437 1,438 1.14,440 2.136,441 0.965,442 2.058,443 1,444 3.321,445 1.858,446 0.898,447 1,449 2.093,450 0.857,451 16.767,452 0.479,453 0.705,454 0.02,455 48.25,456 1.379,457 25,458 0.714,459 23.25,460 0.664,461 28.626,462 0.818,463 36.033,464 0.572,465 35.905,466 1.026,467 9.521,468 0.272,469 7.705,470 0.22,471 0.02,473 0.316,479 0.797,480 1.28,481 0.771,482 1.037,483 0.588,484 0.92,485 1.105,486 1.135,487 0.949,488 0.963,489 0.647,490 0.932,491 1.039,492 0.976,493 1.042,494 0.943,495 0.924,496 0.976,497 0.734,498 1.101,499 1.034,500 1.113,501 0.566,502 1.11,503 0.66,504 0.963,505 0.94,506 0.972,507 0.643,508 0.979,509 0.803,510 0.986,511 1.028,512 1.025,513 0.764,514 1.045,515 0.853,516 1.026,517 1.053,518 1.039,519 0.965,520 1.067,521 0.819,522 0.999,523 0.986,524 0.975,525 0.783,526 0.99,527 6,528 0.161,529 3.778,530 1.563,531 1.867,532 0.965,533 0.602,534 0.49,535 0.258,536 0.148,537 22772,538 54010,539 2.227,540 44.4,542 25,545 1,547 2,550 1.76,551 2.165,552 3.88,553 -0.43,559 91.081,560 1.446,561 3.388,562 4.401,563 5.342,564 5.438,565 5.438,566 3.421,567 4.708,568 5.099,569 4.089,570 2432.83,571 8.914,572 39950.9,577 376.569,578 1.069,579 5.093,580 0.15,581 0.005,582 0.067,583 0.027,584 0.037,585 0.021,586 0.014,587 0.013,588 0.007,589 0.004,590 0.347,591 0.33,592 0.75,593 0.293,594 193.377,595 -0.003,596 -0.163,597 0.075,598 -0.045,599 -0.009,600 0.012,601 -0.052,602 -0.027,603 -0.026,604 -0.009,605 0.03,606 -0.012,607 0.036,608 0.079,609 -0.076,610 0.015,611 0.041,612 -0.031,613 -0.011,614 -0.117,615 -0.08,616 -0.117,617 0.024,618 -0.111,619 -0.004,620 0.006,621 0.038,622 0.021,623 0.015,624 0.035,625 -0.026,626 -0.012,627 -0.044,628 -0.038,629 -0.046,630 -0.042,631 0.015,632 -0.057,633 -0.06,634 -0.056,635 -0.092,636 -0.069,637 0.019,638 -0.011,639 0.009,640 -0.001,641 -0.023,642 0.003,643 1.759,644 4.601,645 0.914,646 45.616,647 0.995,648 1.117,649 3.267,650 10.671,651 0.684,652 3.714,653 4.043,654 4.344,655 4.625,656 4.92,657 4.977,658 5.142,659 5.313,660 5.447,661 5.485,662 8.942,663 0.648,664 464.61,665 3.714,666 5.263,667 6.125,668 7.004,669 7.879,670 8.762,671 9.642,672 10.527,673 11.41,674 12.297,675 6.3,678 1,681 1,682 1,685 1,687 2,688 13,689 1,693 6,695 23,709 1,712 1,714 63,716 24,717 3,718 40,720 68,721 29,722 21,723 7,724 11,730 6,731 8,743 1,745 22,746 7,750 1,755 1,759 1,764 28,765 6,766 1,767 6,773 4,777 0.667,778 2,786 1,793 6,797 2,805 1,815 1,819 4,827 35,833 7,834 1,835 1,838 2,847 3.2,850 1,852 1,854 16.167,855 11.267,856 7.556,857 3.914,858 4.502,859 1.502,860 1.042,861 6.114,862 13.475,863 3.98,864 4.58,865 5.176,866 5.775,867 6.379,868 6.661,869 7.112,870 7.544,871 7.942,872 8.14,873 1,874 58,875 12.957,877 5.586,878 7.543,879 25.416,881 21.594,883 2.043,884 71.5,888 317.82,889 170.153,890 41.045,892 36.145,895 170.153,896 353.965,897 41.045,899 35.666,900 123.191,901 46.635,902 41.85,904 317.82,906 317.82,907 211.198,908 36.145,911 294.278,912 59.687,915 43.691,916 150.721,917 16.786,919 317.82,920 77.19,921 170.153,924 317.82,925 46.962,926 129.44,927 18.011,928 52.93,929 317.82,930 77.19,931 170.153,933 0.581,934 0.342,935 0.189,936 0.109,937 29,938 11,939 0.074,940 5,941 2,942 1.125,943 4.809,944 336.866,945 0.125,946 32,947 171.525,951 22.086,952 9.689,953 4.748,954 2.244,955 77.19,956 27.205,957 4.942,961 6.16,963 18.011,964 565.163,965 52.5,970 11.601,974 -0.092,975 62.665,976 70.394,977 0.242,978 0.567,979 0.736,980 0.894,981 0.91,982 0.91,983 5.219,984 1.81,985 6.094,986 5.776,987 4.727,988 5.268,989 2.452,990 6.893,991 4.662,992 6.408,993 1.599,994 7.638,995 4.751,996 4.205,997 4.987,998 1.738,999 7.743,1000 4.105,1001 7.705,1002 1.567,1003 9.28,1004 4.321,1005 6.308,1006 7.455,1007 3.301,1008 10.848,1009 6.175,1010 9.036,1011 1.442,1012 10.982,1013 4.276,1014 6.621,1015 8.032,1016 3.226,1017 12.549,1018 6.452,1019 10.4,1020 1.13,1021 12.724,1022 3.468,1023 8.158,1024 9.956,1025 4.5,1026 15.156,1027 7.959,1028 11.788,1029 1,1030 14.493,1031 2.663,1032 8.876,1033 10.966,1034 4.754,1035 17.218,1036 8.641,1037 13.196,1038 1,1039 16.283,1040 2.275,1041 10.167,1042 12.649,1043 5.815,1044 19.654,1045 9.904,1046 3.155,1047 0.898,1048 18.087,1049 2.136,1050 11.088,1051 13.887,1052 6.249,1053 21.877,1054 10.791,1055 2.961,1056 10.88,1057 19.904,1058 2.093,1059 12.272,1060 15.456,1061 7.175,1062 24.257,1063 11.947,1064 2.824,1065 9.342,1066 21.731,1067 4.489,1068 13.293,1069 16.814,1070 7.714,1071 26.554,1072 12.936,1073 2.578,1074 9.115,1075 23.566,1076 3.93,1077 14.434,1078 18.333,1079 8.557,1080 28.918,1081 14.049,1082 2.376,1083 7.744,1084 25.408,1085 3.731,1086 15.505,1087 19.753,1088 9.16,1089 31.251,1090 15.089,1091 2.227,1092 7.003,1093 27.256,1094 3.057,1095 16.63,1096 21.25,1097 9.952,1098 33.614,1099 16.185,1100 2.038,1101 6.534,1102 29.109,1103 2.962,1104 17.727,1105 22.703,1106 10.594,1107 35.966,1108 17.252,1109 20440,1110 31652,1111 28.027,1112 43.069,1113 60.155,1114 61.34,1115 60.551,1116 59.956,1117 59.963,1118 78.018,1119 9.327,1120 171.439,1121 58.017,1122 5.568,1123 5.653,1124 6.503,1125 5.233,1126 5.155,1127 7.489,1128 3.634,1129 18.076,1130 5.064,1131 8.515,1132 1.504,1133 1.533,1134 1.514,1135 1.499,1136 1.499,1137 1.95,1138 0.233,1139 4.286,1140 1.45,1141 4.113,1142 4.144,1143 4.073,1144 4.038,1145 7.429,1146 4.043,1147 3.979,1148 4.006,1149 3.929,1150 3.887,1151 5.003,1152 3.892,1153 3.872,1154 3.91,1155 3.802,1156 3.809,1157 4.845,1158 3.803,1159 3.771,1160 3.829,1161 3.666,1162 3.589,1163 4.716,1164 3.599,1165 3.544,1166 3.585,1167 3.458,1168 3.35,1169 4.406,1170 3.367,1171 3.41,1172 3.456,1173 3.321,1174 3.311,1175 4.307,1176 3.31,1177 3.28,1178 3.345,1179 3.146,1180 3.109,1181 4.227,1182 3.109,1183 3.111,1184 3.206,1185 2.917,1186 2.941,1187 3.95,1188 2.91,1189 0.114,1190 0.091,1191 0.168,1192 0.103,1193 0.079,1194 4.568,1195 0.112,1196 3.653,1197 0.051,1198 6.701,1199 0.272,1200 4.125,1201 0.077,1202 3.155,1203 4.489,1204 2.03,1205 10.88,1206 3.064,1207 2.062,1208 2.038,1209 2.136,1210 2.154,1211 1.358,1212 2.151,1213 1.938,1214 1.914,1215 2.052,1216 2.062,1217 1.246,1218 2.058,1219 1.874,1220 1.845,1221 1.997,1222 1.984,1223 1.163,1224 1.988,1225 1.73,1226 1.664,1227 1.917,1228 1.909,1229 1.055,1230 1.918,1231 1.475,1232 1.433,1233 1.681,1234 1.703,1235 0.899,1236 1.697,1237 1.412,1238 1.371,1239 1.587,1240 1.54,1241 0.825,1242 1.556,1243 1.263,1244 1.201,1245 1.514,1246 1.468,1247 0.694,1248 1.489,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.639,1254 1.429,1255 4.394,1257 5.72,1259 7.253,1261 8.878,1263 10.547,1271 6.078,1272 2.9,1273 5.466,1276 4.996,1280 40.837,1281 91.081,1282 213.445,1283 277.244,1284 336.569,1285 342.569,1286 342.569,1287 45.763,1288 8.973,1289 57.7,1290 57.7,1291 36,1292 12.829,1293 4.644,1294 3.755,1295 47.482,1296 190,1297 169,1298 0.119,1299 244.629,1300 422.4,1301 588.654,1302 130002,1304 23.614,1305 0.675,1306 0.56,1307 23.614,1308 19.613,1309 17.225,1310 0.431,1311 0.305,1312 12.07,1313 16.702,1314 11.839,1315 9.719,1316 17.225,1317 12.209,1318 15.466,1319 0.276,1320 0.163,1321 15.466,1322 9.152,1323 13.525,1324 0.178,1325 0.091,1326 13.525,1327 6.885,1328 11.533,1329 0.114,1330 0.049,1331 11.533,1332 4.97,1333 10.066,1334 0.074,1335 0.027,1336 10.066,1337 3.665,1338 0.195,1339 106.842,1340 0.189,1341 32.963,1342 0.308,1343 192,1344 488.739,1345 206.361,1346 477.17,1347 670.52,1348 452,1349 228,1350 505.091,1351 243.749,1352 512.871,1353 755.57,1354 486,1355 7.9} {0 CHEMBL484205,1 1.5,2 12.448,3 3.005,4 9.032,5 112.799,6 7.33,7 0.515,8 4.083,9 4.203,10 3.656,11 3.627,12 5.117,13 3.61,14 4.65,15 4.828,16 4.03,17 4.033,18 5.65,19 4.002,20 4.909,21 5.11,22 4.092,23 4.21,24 5.908,25 4.139,26 4.971,27 5.209,28 3.946,29 4.221,30 5.798,31 4.096,32 4.957,33 5.209,34 3.858,35 4.181,36 5.77,37 4.04,38 4.925,39 5.187,40 3.734,41 4.066,42 5.726,43 3.912,44 4.792,45 5.072,46 3.571,47 3.867,48 5.589,49 3.725,50 4.586,51 4.844,52 3.486,53 3.734,54 5.388,55 3.617,56 0.017,57 0.798,58 11.056,59 4.743,60 6.13,61 6.315,62 0.221,63 1.335,64 21.757,65 7.708,66 21.179,67 10.658,68 0.466,69 1.658,70 29.377,71 10.248,72 45.675,73 14.235,74 0.246,75 1.686,76 32.036,77 12.421,78 29.5,79 17.579,80 0.236,81 1.648,82 31.955,83 12.328,84 32.403,85 17.68,86 0.28,87 1.555,88 31.702,89 11.602,90 35.919,91 16.841,92 0.382,93 1.36,94 28.687,95 9.261,96 37.792,97 13.7,98 0.269,99 1.086,100 22.919,101 7.99,102 22.417,103 11.258,104 5,105 47,106 0.248,107 0.583,108 0.757,109 0.856,110 0.856,111 0.856,112 3.408,113 0.914,114 -3.23,115 -3.22,116 -3.09,119 43.4,120 1,125 6,140 8,141 2,142 3,144 2,156 1,169 7,172 8,174 1,176 1,178 7,181 2,182 8,184 1,186 2,189 5,192 1,193 6,197 1,199 5,203 5,206 1,211 2,214 1,215 6,222 1,225 2,226 3,233 2,240 1,244 6,248 1,249 2,256 8,259 1224,260 19.911,261 19.911,262 19.911,263 19.911,264 19.911,265 17.745,266 27.279,267 11.634,268 20.329,269 16.329,270 16.329,271 16.329,272 16.329,273 16.329,274 12.978,275 39.705,276 5.578,277 17.012,278 4.228,279 2.2,280 1.146,281 0.543,282 0.543,283 0.543,284 4.124,288 1,289 1,290 813,291 2.449,295 386.365,299 258.59,302 1.988,303 20.507,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 361,316 4.551,317 3.653,318 6.695,319 4.109,320 3.14,321 4.474,322 2.03,323 10.856,324 3.046,325 4.305,326 3.284,327 6.214,328 3.928,329 2.967,330 3.931,331 0.916,332 9.355,333 2.85,334 3.862,335 3.078,336 5.81,337 3.604,338 2.666,339 3.249,340 0.892,341 8.03,342 2.498,343 3.725,344 2.904,345 5.525,346 3.423,347 2.468,348 2.989,349 0.8,350 7.474,351 2.361,352 3.513,353 2.706,354 5.053,355 3.199,356 2.213,357 2.73,358 0.172,359 6.108,360 2.165,361 3.41,362 2.363,363 4.96,364 3.047,365 2.066,366 2.655,367 0.141,368 5.784,369 2.017,370 3.224,371 2.209,372 4.914,373 2.89,374 1.926,375 2.386,377 5.614,378 1.848,379 3.017,380 1.953,381 4.551,382 2.564,383 1.59,384 2.221,386 4.474,387 1.549,388 2.884,389 1.64,390 4.38,391 2.505,392 1.56,393 2.01,395 4.253,396 1.466,397 2.749,398 1.47,399 4.031,400 2.377,401 1.402,402 1.808,404 3.45,405 1.362,406 2.244,407 1.337,408 3.414,409 1.967,410 1,411 1.15,413 2.275,414 0.965,415 2.012,416 1.146,417 3.367,418 1.813,419 0.841,420 1,422 2.004,423 0.815,424 2,425 0.886,426 3.298,427 1.709,428 0.782,429 0.932,431 1.848,432 0.717,433 1.327,434 0.716,435 2.989,436 1.106,437 0.148,438 0.165,440 0.39,441 0.141,442 1.189,443 0.403,444 2.579,445 0.777,446 -0.215,447 -0.272,449 -0.509,450 -0.209,451 13.767,452 0.475,453 0.691,454 0.024,455 38.75,456 1.336,457 19,458 0.655,459 19.75,460 0.681,461 23.462,462 0.809,463 30.633,464 0.578,465 27.446,466 0.946,467 7.672,468 0.265,469 6.481,470 0.223,471 0.061,473 0.349,479 0.806,480 1.392,481 0.774,482 1.105,483 0.589,484 0.958,485 1.1,486 1.136,487 0.899,488 0.918,489 0.612,490 0.874,491 1.081,492 1.004,493 1.103,494 0.979,495 0.982,496 1.022,497 0.697,498 1.053,499 0.999,500 1.092,501 0.516,502 1.089,503 0.588,504 1.018,505 0.994,506 1.093,507 0.643,508 1.095,509 0.692,510 1.134,511 1.024,512 1.137,513 0.721,514 1.13,515 0.937,516 0.906,517 1.046,518 0.921,519 0.959,520 0.975,521 1.098,522 0.82,523 0.997,524 0.897,525 0.749,526 0.926,527 6,528 0.107,529 3.111,530 1.75,531 1.756,532 0.715,533 0.621,534 0.382,535 0.18,536 0.174,537 12599,538 30590,539 2.193,540 45.3,542 20,545 1,546 3,550 1.713,551 2.096,552 3.587,553 -0.371,554 1,555 1,559 79.499,560 1.5,561 3.528,562 4.582,563 5.185,564 5.185,565 5.185,566 3.083,567 4.651,568 4.832,569 3.769,570 1530.17,571 8.38,572 21167.3,574 1,576 1,577 303.58,578 1.247,579 4.809,580 0.182,581 0.005,582 0.066,583 0.036,584 0.043,585 0.019,586 0.02,587 0.015,588 0.007,589 0.008,590 0.401,591 0.67,592 0.88,593 0.434,594 149.124,595 -0.015,596 -0.225,597 0.078,598 -0.076,599 -0.02,600 -0.002,601 -0.057,602 -0.011,603 0.036,604 0.047,605 0.055,606 0.056,607 -0.004,608 0.076,609 -0.146,610 -0.019,611 -0.001,612 -0.085,613 -0.006,614 -0.078,615 -0.053,616 -0.084,617 0.027,618 -0.079,619 0.019,620 -0.053,621 -0.046,622 -0.088,623 -0.015,624 -0.077,625 0.043,626 -0.194,627 -0.048,628 -0.149,629 -0.026,630 -0.12,631 -0.014,632 0.064,633 -0.029,634 0.016,635 -0.068,636 -0.002,637 -0.069,638 0.126,639 0.011,640 0.076,641 -0.023,642 0.061,643 1.761,644 4.553,645 0.897,646 28.076,647 0.998,648 1.124,649 1.998,650 3.993,651 0.671,652 3.526,653 3.871,654 4.159,655 4.454,656 4.745,657 4.787,658 4.913,659 5.075,660 5.159,661 5.204,662 7.325,663 0.637,664 388.51,665 3.526,666 5.081,667 5.943,668 6.83,669 7.705,670 8.594,671 9.473,672 10.362,673 11.244,674 12.133,675 7.5,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 53,716 18,717 2,718 33,720 57,721 23,722 15,723 6,724 6,730 5,731 7,736 1,745 16,746 7,750 1,755 1,759 1,761 1,764 24,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 29,833 6,834 1,835 1,838 2,847 3.8,850 1,852 1,854 13.833,855 9.85,856 6.194,857 3.24,858 3.505,859 1.423,860 1.029,861 4.861,862 11.781,863 3.773,864 4.382,865 4.958,866 5.556,867 6.143,868 6.382,869 6.694,870 7.045,871 7.302,872 7.227,873 1,874 48,875 10.738,877 4.623,878 7.58,879 20.996,881 17.78,883 2.08,884 60.333,887 1,888 270.735,889 125.877,890 41.045,892 36.145,895 125.877,896 306.88,897 41.045,898 8.825,899 33.132,900 75.81,901 46.635,902 38.665,904 270.735,906 270.735,907 166.922,908 36.145,911 270.735,912 36.145,915 49.982,916 100.154,917 16.786,919 270.735,920 77.19,921 125.877,924 270.735,925 41.242,926 90.884,927 18.011,928 52.93,929 270.735,930 77.19,931 125.877,933 0.587,934 0.341,935 0.19,936 0.112,937 25,938 10,939 0.053,940 3,941 2,942 1.154,943 4.19,944 262.336,945 0.154,946 26,947 134.881,951 18.408,952 7.657,953 3.804,954 2.278,955 77.19,956 16.704,957 4.665,961 5.024,963 18.011,964 473.802,965 42.5,970 11.553,974 -0.094,975 52.898,976 59.564,977 0.262,978 0.616,979 0.8,980 0.905,981 0.905,982 0.905,983 5.026,984 1.59,985 5.927,986 5.614,987 4.554,988 5.069,989 2.498,990 6.735,991 4.475,992 6.223,993 1.56,994 7.478,995 4.474,996 4.111,997 4.89,998 1.738,999 7.591,1000 4.001,1001 7.529,1002 1.402,1003 9.124,1004 4.253,1005 6.146,1006 7.266,1007 3.319,1008 10.693,1009 5.989,1010 8.866,1011 1,1012 10.827,1013 3.45,1014 6.494,1015 7.909,1016 3.233,1017 12.385,1018 6.302,1019 10.235,1020 0.841,1021 12.566,1022 2.275,1023 8,1024 9.783,1025 4.505,1026 15.003,1027 7.767,1028 11.625,1029 0.782,1030 14.333,1031 2.004,1032 8.735,1033 10.84,1034 4.756,1035 17.066,1036 8.468,1037 13.034,1038 0.148,1039 16.119,1040 1.848,1041 10.014,1042 12.497,1043 5.816,1044 19.515,1045 9.711,1046 3.14,1047 -0.215,1048 17.922,1049 0.39,1050 10.945,1051 13.767,1052 6.249,1053 21.745,1054 10.609,1055 2.967,1056 10.856,1057 19.738,1058 -0.509,1059 12.125,1060 15.326,1061 7.175,1062 24.135,1063 11.756,1064 2.666,1065 9.355,1066 21.566,1067 4.474,1068 13.153,1069 16.705,1070 7.714,1071 26.441,1072 12.753,1073 2.468,1074 8.03,1075 23.402,1076 3.931,1077 14.293,1078 18.22,1079 8.557,1080 28.814,1081 13.862,1082 2.213,1083 7.474,1084 25.247,1085 3.249,1086 15.369,1087 19.653,1088 9.16,1089 31.155,1090 14.907,1091 2.066,1092 6.108,1093 27.098,1094 2.989,1095 16.494,1096 21.151,1097 9.952,1098 33.525,1099 16.003,1100 1.926,1101 5.784,1102 28.955,1103 2.73,1104 17.594,1105 22.611,1106 10.594,1107 35.883,1108 17.073,1109 11479,1110 18038,1111 22.77,1112 35.546,1113 49.583,1114 50.984,1115 50.65,1116 49.498,1117 49.536,1118 63.401,1119 9.904,1120 143.829,1121 47.597,1122 5.551,1123 5.653,1124 6.214,1125 5.216,1126 5.14,1127 7.474,1128 3.634,1129 18.032,1130 5.046,1131 10.434,1132 1.503,1133 1.545,1134 1.535,1135 1.5,1136 1.501,1137 1.921,1138 0.3,1139 4.358,1140 1.442,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 7.429,1146 4.021,1147 3.977,1148 4.004,1149 3.929,1150 3.88,1151 4.984,1152 3.887,1153 3.769,1154 3.835,1155 3.667,1156 3.577,1157 4.846,1158 3.589,1159 3.534,1160 3.579,1161 3.45,1162 3.411,1163 4.444,1164 3.405,1165 3.483,1166 3.524,1167 3.381,1168 3.295,1169 4.333,1170 3.32,1171 3.155,1172 3.224,1173 3.05,1174 2.987,1175 4.201,1176 2.989,1177 3.111,1178 3.206,1179 2.9,1180 2.941,1181 3.938,1182 2.91,1183 3.065,1184 3.146,1185 2.866,1186 2.91,1187 3.88,1188 2.897,1189 0.138,1190 0.111,1191 0.203,1192 0.125,1193 0.095,1194 4.551,1195 0.136,1196 3.653,1197 0.062,1198 6.695,1199 0.329,1200 4.109,1201 0.092,1202 3.14,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.347,1212 2.144,1213 1.933,1214 1.908,1215 2.037,1216 2.06,1217 1.213,1218 2.052,1219 1.722,1220 1.655,1221 1.912,1222 1.935,1223 1.116,1224 1.931,1225 1.519,1226 1.472,1227 1.729,1228 1.682,1229 0.825,1230 1.692,1231 1.421,1232 1.385,1233 1.612,1234 1.632,1235 0.815,1236 1.637,1237 1.153,1238 1.065,1239 1.513,1240 1.376,1241 0.773,1242 1.429,1243 1.13,1244 1.064,1245 1.425,1246 1.343,1247 0.588,1248 1.358,1249 1.082,1250 1.008,1251 1.366,1252 1.298,1253 0.479,1254 1.34,1255 4.205,1257 5.541,1259 7.081,1261 8.713,1263 10.39,1265 2.031,1271 4.922,1272 2.89,1273 5.449,1276 4.911,1280 33.783,1281 79.499,1282 186.976,1283 242.825,1284 274.825,1285 274.825,1286 274.825,1287 37.128,1288 8.276,1289 57.7,1290 57.7,1291 30,1292 12.664,1293 4.248,1294 3.392,1295 39.917,1296 132,1297 109,1298 0.15,1299 203.25,1300 349.78,1301 487.691,1302 52406,1304 19.794,1305 0.683,1306 0.57,1307 19.794,1308 16.52,1309 14.153,1310 0.429,1311 0.305,1312 9.909,1313 13.627,1314 9.666,1315 7.948,1316 14.153,1317 10.049,1318 13.071,1319 0.278,1320 0.164,1321 13.071,1322 7.727,1323 11.113,1324 0.176,1325 0.09,1326 11.113,1327 5.644,1328 9.596,1329 0.113,1330 0.049,1331 9.596,1332 4.15,1333 8.384,1334 0.074,1335 0.027,1336 8.384,1337 3.085,1338 0.241,1339 88.407,1340 0.21,1341 27.866,1342 0.395,1343 160,1344 424.739,1345 174.361,1346 410.467,1347 572.55,1348 388,1349 190,1350 429.091,1351 205.583,1352 434.786,1353 639.56,1354 410,1355 6.9} {0 CHEMBL484216,1 1.446,2 14.818,3 4.46,4 19.887,5 127.994,6 6.963,7 0.459,8 4.25,9 4.368,10 3.772,11 3.791,12 5.25,13 3.761,14 4.834,15 5.011,16 4.141,17 4.201,18 5.788,19 4.15,20 5.128,21 5.34,22 4.21,23 4.377,24 6.073,25 4.289,26 5.205,27 5.45,28 4.054,29 4.384,30 6.004,31 4.241,32 5.195,33 5.467,34 3.935,35 4.32,36 5.942,37 4.158,38 5.097,39 5.364,40 3.881,41 4.226,42 5.856,43 4.074,44 5.018,45 5.268,46 3.859,47 4.175,48 5.813,49 4.038,50 5.014,51 5.272,52 3.829,53 4.16,54 5.797,55 4.019,56 0.033,57 0.907,58 14.263,59 6.219,60 8.109,61 8.309,62 0.242,63 1.52,64 27.542,65 10.401,66 27.162,67 14.321,68 0.577,69 1.938,70 38.465,71 13.55,72 55.878,73 19.022,74 0.39,75 1.977,76 41.95,77 16.127,78 43.226,79 22.602,80 0.367,81 1.924,82 42.19,83 15.799,84 44.725,85 22.6,86 0.329,87 1.765,88 38.147,89 14.076,90 42.954,91 20.211,92 0.371,93 1.681,94 35.03,95 12.479,96 40.586,97 17.854,98 0.372,99 1.649,100 35.058,101 12.607,102 36.555,103 17.99,104 10,105 52,106 0.23,107 0.572,108 0.803,109 0.863,110 0.868,111 0.868,112 3.531,113 0.96,114 -4.05,115 -4,116 -3.79,119 42.2,120 2,121 3,122 1,125 4,127 1,140 8,141 2,142 3,144 2,156 1,169 11,172 10,174 1,176 1,178 13,181 2,182 8,184 1,186 2,189 10,192 1,193 6,197 2,199 12,203 8,208 1,211 7,215 9,220 2,222 4,225 1,226 8,233 7,237 3,240 1,244 8,248 1,249 5,256 10,259 1952,260 22.48,261 22.48,262 22.48,263 22.48,264 22.48,265 20.29,266 28.402,267 13.159,268 22.913,269 18.28,270 18.28,271 18.28,272 18.28,273 18.28,274 14.9,275 33.766,276 6.292,277 18.986,278 4.554,279 2.408,280 0.961,281 0.586,282 0.555,283 0.555,284 4.243,288 1,289 1,290 1089,291 3.317,295 493.197,299 328.154,302 2.402,303 25.013,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70.5,315 489,316 4.516,317 3.653,318 6.518,319 4.028,320 3.057,321 4.458,322 2.03,323 10.25,324 2.969,325 4.305,326 3.208,327 6.214,328 3.933,329 2.969,330 3.931,331 0.892,332 9.355,333 2.865,334 3.843,335 3.078,336 6.03,337 3.763,338 2.819,339 3.172,340 0.86,341 8.597,342 2.667,343 3.723,344 3.03,345 5.526,346 3.496,347 2.517,348 2.995,349 0.8,350 7.496,351 2.447,352 3.68,353 2.694,354 5.322,355 3.283,356 2.332,357 2.803,358 0.141,359 6.714,360 2.22,361 3.471,362 2.592,363 5.018,364 3.197,365 2.191,366 2.652,368 6.034,369 2.188,370 3.296,371 2.224,372 4.934,373 2.961,374 1.975,375 2.618,377 5.706,378 1.939,379 3.192,380 2.113,381 4.814,382 2.841,383 1.879,384 2.261,386 5.296,387 1.798,388 2.99,389 1.942,390 4.383,391 2.516,392 1.568,393 2.208,395 4.269,396 1.506,397 2.884,398 1.658,399 4.249,400 2.505,401 1.529,402 2.009,404 3.938,405 1.466,406 2.536,407 1.52,408 4.106,409 2.365,410 1.41,411 1.542,413 3.601,414 1.34,415 2.345,416 1.336,417 3.418,418 1.984,419 1,420 1.307,422 2.291,423 0.983,424 2.013,425 1.127,426 3.414,427 1.946,428 0.987,429 1,431 2.275,432 0.941,433 2,434 1.077,435 3.299,436 1.717,437 0.795,438 0.935,440 1.862,441 0.724,442 1.618,443 0.76,444 3.073,445 1.374,446 0.457,447 0.516,449 1.062,450 0.415,451 15.7,452 0.476,453 0.797,454 0.024,455 40.5,456 1.227,457 19,458 0.576,459 21.5,460 0.652,461 31.973,462 0.969,463 35.9,464 0.561,465 28.65,466 0.868,467 7.601,468 0.23,469 8.445,470 0.256,471 0.085,473 0.344,479 0.798,480 1.327,481 0.83,482 1.147,483 0.628,484 1.014,485 1.051,486 1.178,487 0.92,488 1.029,489 0.64,490 0.964,491 1.093,492 0.987,493 1.085,494 0.995,495 0.946,496 1.021,497 0.876,498 1.043,499 1.026,500 1.095,501 0.589,502 1.089,503 0.802,504 0.945,505 0.948,506 0.985,507 0.687,508 0.988,509 0.832,510 1.019,511 0.947,512 1.002,513 0.729,514 0.995,515 1.012,516 1.033,517 1.083,518 1.026,519 0.979,520 1.056,521 0.979,522 0.94,523 1.044,524 0.981,525 0.86,526 1.012,527 7,528 0.194,529 3.778,530 1.875,531 1.796,532 0.931,533 0.708,534 0.436,535 0.282,536 0.217,537 18975,538 44390,539 2.15,540 48.4,541 3,542 17,545 1,546 3,547 7,550 1.745,551 2.041,552 3.822,553 -0.412,555 1,559 92.528,560 1.446,561 3.592,562 5.039,563 5.414,564 5.445,565 5.445,566 3.257,567 4.84,568 5.019,569 4.031,570 2128.62,571 8.744,572 33926.5,574 1,577 384,578 1.301,579 4.989,580 0.189,581 0.008,582 0.073,583 0.035,584 0.041,585 0.024,586 0.019,587 0.012,588 0.008,589 0.007,590 0.417,591 0.33,592 0.88,593 0.467,594 179.597,595 -0.003,596 -0.141,597 0.074,598 -0.052,599 -0.013,600 0.01,601 -0.014,602 -0.07,603 0.043,604 -0.009,605 0.077,606 0.018,607 0.024,608 0.08,609 -0.097,610 -0.017,611 0.04,612 -0.06,613 -0.007,614 -0.085,615 -0.059,616 -0.088,617 0.037,618 -0.084,619 -0.019,620 -0.013,621 0.023,622 0.004,623 -0.004,624 0.017,625 -0.021,626 -0.075,627 0.026,628 -0.017,629 -0.012,630 0.005,631 -0.088,632 -0.035,633 -0.102,634 -0.055,635 -0.118,636 -0.078,637 -0.071,638 0.041,639 -0.062,640 -0.009,641 -0.084,642 -0.029,643 1.751,644 4.594,645 0.788,646 38.399,647 0.995,648 1.124,649 2.823,650 7.967,651 0.657,652 3.638,653 3.97,654 4.234,655 4.489,656 4.754,657 4.787,658 4.86,659 4.99,660 5.075,661 5.081,662 8.704,663 0.618,664 445.61,665 3.638,666 5.187,667 6.038,668 6.913,669 7.775,670 8.651,671 9.517,672 10.394,673 11.261,674 12.137,675 4.7,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 64,716 18,717 2,718 37,720 68,721 27,722 15,723 6,724 6,730 5,731 7,736 2,740 2,741 1,743 4,745 16,746 11,747 1,750 1,755 1,759 1,764 31,765 6,766 1,767 6,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 2,827 33,833 7,834 1,835 2,837 2,838 1,847 4.7,850 1,852 2,854 16.167,855 11.983,856 7.111,857 4.082,858 3.408,859 1.406,860 0.988,861 6.522,862 11.803,863 3.861,864 4.443,865 4.985,866 5.55,867 6.116,868 6.334,869 6.598,870 6.928,871 7.165,872 6.929,873 0.9,874 53,875 12.253,877 5.239,878 7.561,879 24.079,881 20.404,883 2.061,884 68,888 353.133,889 143.068,890 37.921,892 47.145,895 143.068,896 400.278,897 37.921,898 17.65,899 39.011,900 75.81,901 46.635,902 49.027,904 353.133,906 353.133,907 180.988,908 47.145,911 270.735,912 129.542,915 64.686,916 99.517,917 16.786,919 353.133,920 85.065,921 143.068,924 353.133,925 49.607,926 96.585,927 18.011,928 63.93,929 353.133,930 85.065,931 143.068,933 0.586,934 0.339,935 0.181,936 0.104,937 26,938 11,939 0.088,940 6,941 2,942 1.154,943 4.588,944 300.83,945 0.154,946 26,947 160.465,951 22.183,952 9.702,953 5.151,954 2.051,955 85.065,956 16.377,957 4.605,961 4.744,963 18.011,964 581.266,965 46.5,970 11.594,974 -0.084,975 63.658,976 71.936,977 0.241,978 0.599,979 0.84,980 0.902,981 0.908,982 0.908,983 5.113,984 1.879,985 6.019,986 5.706,987 4.654,988 5.13,989 2.496,990 6.806,991 4.581,992 6.3,993 1.568,994 7.562,995 5.296,996 4.205,997 4.934,998 1.668,999 7.627,1000 4.112,1001 7.597,1002 1.529,1003 9.198,1004 4.269,1005 6.232,1006 7.293,1007 3.324,1008 10.699,1009 6.089,1010 8.924,1011 1.41,1012 10.889,1013 3.938,1014 6.567,1015 7.919,1016 3.213,1017 12.333,1018 6.394,1019 10.282,1020 1,1021 12.615,1022 3.601,1023 8.064,1024 9.785,1025 4.506,1026 14.912,1027 7.85,1028 11.661,1029 0.987,1030 14.366,1031 2.291,1032 8.777,1033 10.828,1034 4.752,1035 16.905,1036 8.528,1037 13.059,1038 0.795,1039 16.136,1040 2.275,1041 10.045,1042 12.482,1043 5.816,1044 19.304,1045 9.761,1046 3.057,1047 0.457,1048 17.919,1049 1.862,1050 10.95,1051 13.743,1052 6.248,1053 21.462,1054 10.629,1055 2.969,1056 10.25,1057 19.714,1058 1.062,1059 12.115,1060 15.3,1061 7.175,1062 23.793,1063 11.762,1064 2.819,1065 9.355,1066 21.519,1067 4.458,1068 13.115,1069 16.672,1070 7.714,1071 26.027,1072 12.726,1073 2.517,1074 8.597,1075 23.331,1076 3.931,1077 14.237,1078 18.186,1079 8.557,1080 28.336,1081 13.816,1082 2.332,1083 7.496,1084 25.15,1085 3.172,1086 15.285,1087 19.613,1088 9.16,1089 30.605,1090 14.829,1091 2.191,1092 6.714,1093 26.974,1094 2.995,1095 16.388,1096 21.108,1097 9.952,1098 32.908,1099 15.902,1100 1.975,1101 6.034,1102 28.803,1103 2.803,1104 17.46,1105 22.564,1106 10.594,1107 35.197,1108 16.94,1109 17376,1110 26756,1111 25.255,1112 42.04,1113 55.186,1114 56.977,1115 56.493,1116 55.087,1117 55.165,1118 69.03,1119 9.447,1120 158.01,1121 53.127,1122 5.516,1123 5.653,1124 6.055,1125 5.136,1126 5.057,1127 7.458,1128 3.634,1129 17.088,1130 4.969,1131 13.762,1132 1.492,1133 1.54,1134 1.527,1135 1.489,1136 1.491,1137 1.866,1138 0.255,1139 4.271,1140 1.436,1141 4.082,1142 4.108,1143 4.041,1144 4.002,1145 7.429,1146 4.008,1147 3.997,1148 4.028,1149 3.939,1150 3.907,1151 5.017,1152 3.909,1153 3.853,1154 3.905,1155 3.747,1156 3.704,1157 4.846,1158 3.706,1159 3.601,1160 3.651,1161 3.492,1162 3.445,1163 4.585,1164 3.445,1165 3.52,1166 3.565,1167 3.427,1168 3.396,1169 4.369,1170 3.391,1171 3.457,1172 3.503,1173 3.33,1174 3.273,1175 4.278,1176 3.29,1177 3.127,1178 3.206,1179 3.009,1180 2.967,1181 4.188,1182 2.963,1183 3.111,1184 3.187,1185 2.927,1186 2.941,1187 3.934,1188 2.918,1189 0.122,1190 0.099,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.653,1197 0.055,1198 6.518,1199 0.277,1200 4.028,1201 0.08,1202 3.057,1203 4.458,1204 2.03,1205 10.25,1206 2.969,1207 2.032,1208 2.011,1209 2.115,1210 2.126,1211 1.482,1212 2.122,1213 1.961,1214 1.932,1215 2.101,1216 2.084,1217 1.227,1218 2.092,1219 1.822,1220 1.771,1221 1.976,1222 1.997,1223 1.175,1224 1.992,1225 1.576,1226 1.524,1227 1.82,1228 1.774,1229 1.068,1230 1.789,1231 1.515,1232 1.465,1233 1.732,1234 1.666,1235 0.825,1236 1.686,1237 1.406,1238 1.367,1239 1.609,1240 1.624,1241 0.807,1242 1.628,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.785,1248 1.429,1249 1.119,1250 1.055,1251 1.425,1252 1.326,1253 0.638,1254 1.353,1255 4.317,1257 5.645,1259 7.169,1261 8.782,1263 10.439,1265 4.26,1271 6.298,1272 2.911,1273 11.701,1275 1.01,1276 2.533,1280 39.584,1281 92.528,1282 229.893,1283 322.49,1284 346.49,1285 348.49,1286 348.49,1287 51.252,1288 8.395,1289 63.69,1290 63.69,1291 30,1292 12.677,1293 4.248,1294 3.392,1295 48.294,1296 176,1297 149,1298 0.131,1299 238.822,1300 416.77,1301 574.485,1302 66440,1304 22.786,1305 0.69,1306 0.586,1307 22.786,1308 19.342,1309 16.047,1310 0.434,1311 0.32,1312 11.695,1313 15.49,1314 11.37,1315 9.393,1316 16.047,1317 11.838,1318 14.722,1319 0.283,1320 0.179,1321 14.722,1322 9.286,1323 12.398,1324 0.182,1325 0.1,1326 12.398,1327 6.785,1328 10.306,1329 0.117,1330 0.055,1331 10.306,1332 4.859,1333 8.746,1334 0.076,1335 0.031,1336 8.746,1337 3.576,1338 0.215,1339 100.066,1340 0.199,1341 31.478,1342 0.335,1343 178,1344 466.83,1345 193.822,1346 446.283,1347 618.95,1348 422,1349 209,1350 460.081,1351 225.572,1352 464.293,1353 680.68,1354 438,1355 6.45} {0 CHEMBL484260,1 1.464,2 13.355,3 3.813,4 14.537,5 122.594,6 7.061,7 0.486,8 4.176,9 4.3,10 3.714,11 3.717,12 5.182,13 3.69,14 4.752,15 4.94,16 4.089,17 4.126,18 5.716,19 4.083,20 5.009,21 5.215,22 4.152,23 4.312,24 5.979,25 4.229,26 5.091,27 5.333,28 4.025,29 4.331,30 5.889,31 4.192,32 5.102,33 5.372,34 3.953,35 4.286,36 5.872,37 4.143,38 5.033,39 5.285,40 3.865,41 4.224,42 5.831,43 4.073,44 5.017,45 5.291,46 3.679,47 4.112,48 5.777,49 3.931,50 4.899,51 5.209,52 3.553,53 3.926,54 5.583,55 3.753,56 0.033,57 0.876,58 12.938,59 5.425,60 6.897,61 7.418,62 0.246,63 1.463,64 25.115,65 8.867,66 22.834,67 12.619,68 0.5,69 1.821,70 33.341,71 11.636,72 48.053,73 16.543,74 0.241,75 1.88,76 36.457,77 14.358,78 31.381,79 20.555,80 0.31,81 1.88,82 37.854,83 13.637,84 35.766,85 20.137,86 0.287,87 1.756,88 34.879,89 13.03,90 33.881,91 18.838,92 0.383,93 1.665,94 35.327,95 12.57,96 41.355,97 18.452,98 0.357,99 1.428,100 32.389,101 10.867,102 33.961,103 16.428,104 10,105 50,106 0.237,107 0.559,108 0.737,109 0.849,110 0.855,111 0.855,112 3.471,113 0.939,114 -3.65,115 -3.62,116 -3.44,119 42.4,120 2,121 1,125 6,140 7,141 3,142 3,144 2,156 1,169 9,172 8,174 1,176 1,178 11,181 2,182 7,184 1,186 2,189 6,192 1,193 9,197 2,199 6,203 7,211 3,215 6,218 1,222 3,225 2,226 5,233 2,236 1,237 1,244 4,249 2,252 1,256 9,259 1508,260 21.066,261 21.066,262 21.066,263 21.066,264 21.066,265 18.875,266 29.382,267 12.272,268 21.493,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.87,275 39.696,276 5.907,277 18,278 4.419,279 2.43,280 1.328,281 0.636,282 0.602,283 0.602,284 4.184,288 1,289 1,290 925,291 2.739,295 430.197,299 288.029,302 2.062,303 21.503,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 414,316 4.581,317 3.653,318 6.715,319 4.14,320 3.169,321 4.509,322 2.03,323 10.948,324 3.082,325 4.302,326 3.305,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.86,335 3.041,336 5.817,337 3.591,338 2.656,339 3.282,340 0.8,341 8.044,342 2.482,343 3.693,344 2.897,345 5.382,346 3.4,347 2.436,348 2.966,349 0.8,350 7.049,351 2.358,352 3.611,353 2.675,354 5.207,355 3.285,356 2.307,357 2.949,358 0.141,359 6.565,360 2.249,361 3.475,362 2.51,363 5.027,364 3.173,365 2.196,366 2.657,368 6.046,369 2.135,370 3.39,371 2.43,372 4.956,373 3.037,374 2.042,375 2.625,377 5.778,378 2.015,379 3.276,380 2.146,381 4.948,382 2.919,383 1.945,384 2.445,386 5.633,387 1.886,388 2.886,389 1.977,390 4.554,391 2.514,392 1.572,393 2.01,395 4.478,396 1.483,397 2.873,398 1.631,399 4.386,400 2.5,401 1.541,402 1.961,404 4.276,405 1.465,406 2.338,407 1.348,408 3.728,409 1.97,410 1,411 1.29,413 2.528,414 0.968,415 2.061,416 1.146,417 3.414,418 1.967,419 0.994,420 1,422 2.275,423 0.965,424 2,425 1.076,426 3.332,427 1.788,428 0.845,429 0.993,431 1.987,432 0.789,433 1.731,434 0.856,435 3.201,436 1.551,437 0.601,438 0.664,440 1.464,441 0.567,442 1.263,443 0.636,444 2.824,445 0.903,446 -0.081,447 -0.099,449 -0.202,450 -0.079,451 14.767,452 0.476,453 0.797,454 0.026,455 39.75,456 1.282,457 19,458 0.613,459 20.75,460 0.669,461 27.878,462 0.899,463 33.233,464 0.563,465 28.408,466 0.916,467 7.737,468 0.25,469 7.31,470 0.236,471 0.09,473 0.359,479 0.805,480 1.401,481 0.815,482 1.133,483 0.605,484 0.996,485 1.076,486 1.117,487 0.885,488 0.913,489 0.588,490 0.87,491 1.098,492 0.999,493 1.124,494 0.992,495 1.004,496 1.039,497 0.627,498 1.143,499 0.983,500 1.153,501 0.492,502 1.124,503 0.712,504 0.952,505 0.964,506 0.963,507 0.637,508 0.98,509 0.776,510 1.105,511 1.098,512 1.158,513 0.736,514 1.166,515 0.812,516 1.073,517 1.114,518 1.123,519 0.916,520 1.153,521 0.717,522 0.817,523 0.838,524 0.811,525 0.673,526 0.828,527 7,528 0.161,529 3.333,530 1.688,531 2.187,532 1.021,533 0.602,534 0.434,535 0.23,536 0.164,537 15277,538 35652,539 2.16,540 47.5,541 3,542 19,545 1,546 3,547 2,550 1.73,551 2.044,552 3.661,553 -0.393,555 1,559 86.374,560 1.464,561 3.453,562 4.554,563 5.247,564 5.281,565 5.281,566 3.079,567 4.696,568 4.929,569 3.871,570 1800.18,571 8.57,572 26652.1,574 1,577 347.076,578 1.332,579 4.896,580 0.2,581 0.007,582 0.067,583 0.033,584 0.05,585 0.025,586 0.017,587 0.016,588 0.009,589 0.007,590 0.429,591 0.5,592 0.88,593 0.486,594 163.8,595 -0.002,596 -0.21,597 0.078,598 -0.069,599 -0.02,601 -0.026,602 0.011,603 0.076,604 0.074,605 0.086,606 0.088,607 -0.005,608 0.096,609 -0.152,610 -0.018,611 -0.015,612 -0.086,613 0.031,614 -0.166,615 -0.041,616 -0.133,617 0.046,618 -0.106,619 -0.037,620 0.031,621 -0.001,622 0.017,623 -0.003,624 0.017,625 -0.035,626 -0.122,627 -0.142,628 -0.164,629 -0.052,630 -0.167,631 0.006,632 -0.127,633 -0.134,634 -0.151,635 -0.101,636 -0.163,637 0.071,638 0.089,639 0.167,640 0.138,641 0.045,642 0.163,643 1.755,644 4.556,645 0.839,646 31.956,647 0.994,648 1.125,649 2.417,650 5.842,651 0.662,652 3.584,653 3.932,654 4.205,655 4.5,656 4.804,657 4.86,658 4.934,659 5.1,660 5.165,661 5.147,662 7.89,663 0.624,664 416.57,665 3.584,666 5.142,667 5.999,668 6.887,669 7.76,670 8.65,671 9.529,672 10.42,673 11.302,674 12.193,675 6.8,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 7,724 5,730 5,731 7,736 2,743 1,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 2,827 31,833 7,834 1,835 1,838 2,847 3.4,850 1,852 1,854 15.167,855 11.267,856 6.611,857 3.685,858 3.487,859 1.416,860 1.016,861 5.554,862 11.864,863 3.818,864 4.431,865 4.996,866 5.599,867 6.2,868 6.468,869 6.741,870 7.108,871 7.331,872 7.21,873 0.889,874 51,875 11.491,877 4.913,878 7.548,879 22.587,881 19.09,883 2.048,884 63.5,887 1,888 317.82,889 130.946,890 41.045,892 36.145,895 130.946,896 353.965,897 41.045,898 17.65,899 35.666,900 66.334,901 46.635,902 41.85,904 317.82,906 317.82,907 171.991,908 36.145,911 294.278,912 59.687,915 61.342,916 93.864,917 16.786,919 317.82,920 77.19,921 130.946,924 317.82,925 46.962,926 90.233,927 18.011,928 52.93,929 317.82,930 77.19,931 130.946,933 0.589,934 0.338,935 0.187,936 0.114,937 26,938 11,939 0.063,940 4,941 2,942 1.154,943 4.352,944 284.128,945 0.154,946 26,947 149.58,951 20.289,952 8.486,953 4.389,954 2.323,955 77.19,956 14.866,957 4.733,961 6.375,963 18.011,964 525.956,965 44.5,970 11.556,974 -0.088,975 58.665,976 66.394,977 0.249,978 0.587,979 0.774,980 0.892,981 0.898,982 0.898,983 5.077,984 1.945,985 5.989,986 5.778,987 4.615,988 5.118,989 2.452,990 6.795,991 4.541,992 6.279,993 1.572,994 7.541,995 5.633,996 4.205,997 4.987,998 1.738,999 7.644,1000 4.105,1001 7.589,1002 1.541,1003 9.185,1004 4.478,1005 6.209,1006 7.32,1007 3.301,1008 10.741,1009 6.062,1010 8.928,1011 1,1012 10.884,1013 4.276,1014 6.567,1015 7.987,1016 3.226,1017 12.418,1018 6.391,1019 10.297,1020 0.994,1021 12.619,1022 2.528,1023 8.057,1024 9.838,1025 4.5,1026 15.043,1027 7.841,1028 11.688,1029 0.845,1030 14.38,1031 2.275,1032 8.794,1033 10.907,1034 4.754,1035 17.102,1036 8.548,1037 13.096,1038 0.601,1039 16.162,1040 1.987,1041 10.066,1042 12.555,1043 5.815,1044 19.561,1045 9.785,1046 3.169,1047 -0.081,1048 17.961,1049 1.464,1050 11,1051 13.836,1052 6.249,1053 21.796,1054 10.689,1055 2.961,1056 10.948,1057 19.774,1058 -0.202,1059 12.179,1060 15.394,1061 7.175,1062 24.197,1063 11.837,1064 2.656,1065 9.342,1066 21.598,1067 4.509,1068 13.212,1069 16.782,1070 7.714,1071 26.511,1072 12.842,1073 2.436,1074 8.044,1075 23.433,1076 3.93,1077 14.356,1078 18.301,1079 8.557,1080 28.895,1081 13.956,1082 2.307,1083 7.049,1084 25.277,1085 3.282,1086 15.438,1087 19.744,1088 9.16,1089 31.245,1090 15.011,1091 2.196,1092 6.565,1093 27.128,1094 2.966,1095 16.57,1096 21.247,1097 9.952,1098 33.626,1099 16.116,1100 2.042,1101 6.046,1102 28.986,1103 2.949,1104 17.678,1105 22.717,1106 10.594,1107 35.994,1108 17.197,1109 13994,1110 21552,1111 23.868,1112 39.069,1113 52.555,1114 54.052,1115 53.758,1116 52.476,1117 52.527,1118 66.562,1119 9.327,1120 152.825,1121 50.581,1122 5.581,1123 5.653,1124 6.129,1125 5.248,1126 5.169,1127 7.509,1128 3.634,1129 18.171,1130 5.082,1131 13.245,1132 1.502,1133 1.544,1134 1.536,1135 1.499,1136 1.501,1137 1.902,1138 0.266,1139 4.366,1140 1.445,1141 4.105,1142 4.137,1143 4.064,1144 4.028,1145 7.429,1146 4.033,1147 3.979,1148 4.005,1149 3.929,1150 3.887,1151 4.977,1152 3.892,1153 3.79,1154 3.858,1155 3.683,1156 3.599,1157 4.845,1158 3.609,1159 3.575,1160 3.625,1161 3.481,1162 3.469,1163 4.447,1164 3.462,1165 3.532,1166 3.574,1167 3.436,1168 3.336,1169 4.333,1170 3.358,1171 3.301,1172 3.367,1173 3.171,1174 3.127,1175 4.245,1176 3.128,1177 3.163,1178 3.243,1179 2.991,1180 3.022,1181 3.972,1182 3.003,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.882,1188 2.91,1189 0.131,1190 0.104,1191 0.192,1192 0.118,1193 0.091,1194 4.581,1195 0.129,1196 3.653,1197 0.058,1198 6.715,1199 0.313,1200 4.14,1201 0.088,1202 3.169,1203 4.509,1204 2.03,1205 10.948,1206 3.082,1207 2.057,1208 2.032,1209 2.136,1210 2.153,1211 1.363,1212 2.15,1213 1.938,1214 1.914,1215 2.049,1216 2.06,1217 1.256,1218 2.056,1219 1.744,1220 1.676,1221 1.936,1222 1.957,1223 1.16,1224 1.954,1225 1.576,1226 1.529,1227 1.788,1228 1.727,1229 0.904,1230 1.745,1231 1.47,1232 1.427,1233 1.682,1234 1.69,1235 0.872,1236 1.694,1237 1.277,1238 1.215,1239 1.541,1240 1.491,1241 0.825,1242 1.508,1243 1.191,1244 1.117,1245 1.513,1246 1.394,1247 0.695,1248 1.442,1249 1.153,1250 1.064,1251 1.507,1252 1.376,1253 0.631,1254 1.429,1255 4.263,1257 5.602,1259 7.138,1261 8.766,1263 10.444,1265 4.193,1271 6.18,1272 2.895,1273 5.452,1276 5.014,1280 36.837,1281 86.374,1282 203.725,1283 268.695,1284 309.566,1285 311.566,1286 311.566,1287 42.11,1288 8.377,1289 57.7,1290 57.7,1291 30,1292 12.723,1293 4.248,1294 3.392,1295 44.013,1296 152,1297 126,1298 0.142,1299 222.435,1300 384.38,1301 534.502,1302 61013,1304 21.372,1305 0.689,1306 0.585,1307 21.372,1308 18.149,1309 15.047,1310 0.43,1311 0.313,1312 10.82,1313 14.517,1314 10.498,1315 8.658,1316 15.047,1317 10.959,1318 14.058,1319 0.281,1320 0.171,1321 14.058,1322 8.549,1323 11.697,1324 0.177,1325 0.094,1326 11.697,1327 6.175,1328 10.016,1329 0.113,1330 0.051,1331 10.016,1332 4.501,1333 8.811,1334 0.073,1335 0.028,1336 8.811,1337 3.404,1338 0.23,1339 93.77,1340 0.205,1341 29.595,1342 0.371,1343 170,1344 436.739,1345 184.361,1346 423.35,1347 590.78,1348 400,1349 201,1350 443.091,1351 216.416,1352 450.164,1353 660.72,1354 424,1355 9.4} {0 CHEMBL484345,1 1.735,2 10.607,3 2.147,4 4.607,5 106.981,6 8.576,7 0.677,8 3.952,9 4.051,10 3.784,11 3.571,12 5.101,13 3.538,14 4.461,15 4.586,16 4.113,17 3.963,18 5.801,19 3.918,20 4.718,21 4.888,22 4.246,23 4.107,24 5.969,25 4.039,26 4.766,27 4.922,28 4.277,29 4.092,30 6.151,31 4.042,32 4.756,33 4.92,34 4.125,35 4,36 6.129,37 3.965,38 4.657,39 4.827,40 3.969,41 3.922,42 6.019,43 3.876,44 4.573,45 4.771,46 3.784,47 3.867,48 5.698,49 3.78,50 4.489,51 4.703,52 3.639,53 3.734,54 5.819,55 3.622,56 0.136,57 0.721,58 10.084,59 4.29,60 20.553,61 4.602,62 0.365,63 1.13,64 15.2,65 6.954,66 51.72,67 8.124,68 0.419,69 1.405,70 24.712,71 9.784,72 62.442,73 10.947,74 0.477,75 1.464,76 27.99,77 10.39,78 65.391,79 10.751,80 0.569,81 1.378,82 28.701,83 9.516,84 86.474,85 9.54,86 0.61,87 1.233,88 24.229,89 8.646,90 82.372,91 9.526,92 0.392,93 1.162,94 20.537,95 7.886,96 64.038,97 9.451,98 0.463,99 1.076,100 20.576,101 7.758,102 85.833,103 9.751,104 21,105 45,106 0.291,107 0.595,108 0.729,109 0.836,110 0.882,111 0.897,112 3.375,113 0.983,114 -3.34,115 -3.33,116 -3.19,119 43.5,121 1,125 1,140 10,141 3,142 2,143 1,150 1,156 1,161 1,162 1,163 1,164 1,169 11,171 3,172 4,174 1,176 4,178 14,180 1,181 2,182 8,186 1,189 10,193 20,194 1,195 3,196 1,197 1,198 1,199 7,203 15,211 7,214 2,215 11,218 2,220 2,222 9,224 2,226 1,231 3,233 11,235 1,236 2,237 2,239 2,240 2,242 4,244 8,246 1,249 2,254 3,256 6,259 1186,260 18.971,261 18.971,262 18.971,263 18.971,264 18.971,265 16.193,266 10.713,267 11.171,268 19.194,269 15.275,270 15.275,271 15.275,272 15.275,273 15.275,274 10.978,275 11.69,276 5.168,277 15.658,278 3.788,279 1.974,280 1.173,281 0.538,282 0.261,283 0.174,284 4.069,288 1,289 1,290 642,291 3.937,294 54.58,295 200.958,298 105.257,299 111.515,302 1.75,303 40.764,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 61,315 297,316 5.06,317 4.741,318 7.793,319 4.544,320 3.608,321 5.031,322 1.907,323 14.28,324 3.364,325 4.531,326 3.598,327 6.692,328 4.043,329 3.066,330 4.48,331 0.149,332 10.732,333 2.99,334 4.278,335 3.119,336 6.32,337 3.772,338 2.781,339 4.112,341 9.412,342 2.746,343 3.732,344 2.807,345 5.665,346 3.383,347 2.39,348 3.069,350 7.263,351 2.364,352 3.423,353 2.319,354 5.132,355 2.993,356 2.009,357 2.696,359 5.862,360 1.959,361 3.186,362 1.715,363 4.848,364 2.66,365 1.665,366 2.481,368 5.025,369 1.656,370 3.118,371 1.618,372 4.354,373 2.618,374 1.618,375 2.427,377 3.738,378 1.618,379 3.048,380 1.547,381 4.127,382 2.535,383 1.547,384 2.321,386 3.691,387 1.527,388 2.762,389 1.471,390 3.967,391 2.263,392 1.264,393 1.892,395 3.108,396 1.263,397 2.584,398 1.289,399 3.586,400 2.071,401 1.097,402 1.608,404 2.771,405 1.065,406 2.273,407 1.19,408 3.377,409 2.004,410 1.034,411 1.195,413 2.053,414 0.997,415 2.208,416 0.946,417 3.313,418 1.759,419 0.785,420 1.079,422 1.729,423 0.76,424 2.095,425 0.764,426 3.07,427 1.646,428 0.66,429 0.956,431 1.488,432 0.649,433 1.239,434 0.475,435 2.806,436 0.849,437 -0.117,438 -0.144,440 -0.272,441 -0.112,442 1.043,443 0.148,444 2.536,445 0.538,446 -0.438,447 -0.631,449 -0.928,450 -0.421,451 13.433,452 0.48,453 0.739,454 0.026,455 40.5,456 1.446,457 23,458 0.821,459 17.5,460 0.625,461 19.749,462 0.705,463 29.167,464 0.634,465 32.887,466 1.175,467 7.96,468 0.284,469 5.559,470 0.199,471 0.104,472 0.062,473 0.29,479 0.541,480 1.094,481 0.787,482 1.09,483 0.673,484 0.834,485 0.532,486 1.135,487 0.769,488 0.971,489 0.602,490 0.939,491 0.944,492 1.015,493 0.93,494 0.93,495 0.898,496 0.852,497 1.232,498 1.084,499 1.188,500 1.169,501 1.167,502 0.963,503 1.735,504 1.036,505 1.277,506 1.064,507 1.67,508 0.937,509 1.305,510 0.97,511 1.098,512 0.958,513 1.395,514 0.961,515 1.034,516 0.974,517 0.931,518 0.907,519 1.008,520 1.055,521 0.522,522 0.977,523 1.012,524 1.079,525 0.424,526 1.149,527 5.5,528 0.091,529 4.222,530 2.75,531 2.037,532 1.038,533 0.709,534 0.412,535 0.253,536 0.147,537 8970,538 26656,539 2.085,540 39.1,542 12,544 1,545 3,546 2,550 1.714,551 1.942,552 3.342,553 0.953,554 1,555 1,559 79.832,560 1.735,561 3.55,562 4.35,563 4.985,564 5.263,565 5.35,566 2.867,567 4.45,568 4.775,569 3.485,570 1317.3,571 8.326,572 16593.6,574 1,576 1,577 254.084,578 1.572,579 4.728,580 0.177,581 0.006,582 0.094,583 0.056,584 0.041,585 0.024,586 0.018,587 0.013,588 0.009,589 0.008,590 0.445,591 0.33,592 1,593 1.26,594 138.214,595 0.081,596 0.059,597 0.191,598 -0.01,599 -0.145,600 0.067,601 0.266,602 -0.061,603 0.089,604 -0.004,605 0.134,606 -0.038,607 -0.004,608 0.022,609 0.13,610 0.119,611 0.003,612 0.11,613 -0.05,614 -0.03,615 -0.025,616 -0.075,617 0.02,618 -0.027,619 -0.332,620 -0.02,621 -0.173,622 -0.035,623 -0.193,624 -0.02,625 -0.057,626 0.014,627 -0.147,628 -0.008,629 -0.094,630 -0.035,631 -0.17,632 -0.004,633 -0.101,634 -0.015,635 -0.176,636 -0.09,637 0.255,638 -0.003,639 -0.081,640 -0.131,641 0.292,642 -0.148,643 4.848,644 6.355,645 0.679,646 24.862,647 1.014,648 1.118,649 2.113,650 4.464,651 0.704,652 3.466,653 3.829,654 4.159,655 4.477,656 4.7,657 4.804,658 4.956,659 5.1,660 5.142,661 5.182,662 6.065,663 0.676,664 394.49,665 3.466,666 5.03,667 5.911,668 6.825,669 7.73,670 8.654,671 9.568,672 10.497,673 11.418,674 12.349,675 8.7,676 1,682 1,683 1,685 1,687 4,688 11,689 1,693 2,694 1,695 21,714 46,716 24,717 3,718 31,720 49,721 20,722 17,723 6,724 10,730 4,731 6,736 1,743 1,745 18,746 2,750 3,753 1,755 3,759 1,761 1,764 18,765 6,766 3,767 8,768 1,773 4,777 0.5,778 3,784 1,792 1,793 3,796 1,797 1,805 1,812 1,819 2,821 1,827 28,828 1,830 1,833 2,834 1,847 6.5,850 3,854 14.417,855 8.067,856 6.139,857 2.607,858 4.464,859 1.572,860 1.041,861 4.795,862 12.263,863 3.818,864 4.519,865 5.189,866 5.873,867 6.45,868 6.839,869 7.297,870 7.748,871 8.039,872 8.332,873 1,874 49,875 10.681,877 5.001,878 8.003,879 19.429,881 16.415,883 2.503,884 70.083,888 176.567,889 133.133,890 67.742,892 69.458,894 5.807,895 127.325,896 246.024,897 67.742,899 55.548,900 100.57,901 102.597,902 21.245,903 2.144,904 164.795,906 176.567,907 195.067,908 69.458,909 5.807,911 176.567,912 69.458,915 64.766,916 113.638,917 22.47,919 176.567,920 137.2,921 133.133,923 5.807,924 176.567,925 23.515,926 103.981,927 18.011,928 119.018,929 176.567,930 137.2,931 133.133,933 0.583,934 0.354,935 0.202,936 0.106,937 23,938 10,939 0.102,940 5,941 2,942 1.211,943 3.814,944 257.557,945 0.211,946 19,947 130.606,950 1,951 18.479,952 7.266,953 3.27,954 2.381,955 137.029,956 18.904,957 4.117,961 0.67,962 1.003,963 50.908,964 446.899,965 44.5,968 -3.931,970 38.602,974 -0.236,975 46.651,976 51.448,977 0.314,978 0.643,979 0.788,980 0.903,981 0.953,982 0.969,983 5.058,984 1.547,985 5.938,986 3.738,987 4.511,988 5.207,989 1.953,990 6.86,991 4.456,992 6.326,993 1.264,994 7.57,995 3.691,996 4.29,997 5.33,998 1.593,999 8.179,1000 4.166,1001 7.7,1002 1.097,1003 9.326,1004 3.108,1005 6.236,1006 7.642,1007 2.904,1008 11.328,1009 6.094,1010 9.124,1011 1.034,1012 11.162,1013 2.771,1014 6.889,1015 8.629,1016 3.032,1017 13.508,1018 6.652,1019 10.59,1020 0.785,1021 13.049,1022 2.053,1023 8.349,1024 10.453,1025 4.037,1026 16.275,1027 8.084,1028 12.086,1029 0.66,1030 14.973,1031 1.729,1032 9.365,1033 11.796,1034 4.409,1035 18.753,1036 9.004,1037 13.605,1038 -0.117,1039 16.923,1040 1.488,1041 10.671,1042 13.456,1043 5.25,1044 21.428,1045 10.262,1046 3.608,1047 -0.438,1048 18.893,1049 -0.272,1050 11.834,1051 14.943,1052 5.75,1053 24.013,1054 11.335,1055 3.066,1056 14.28,1057 20.878,1058 -0.928,1059 13.098,1060 16.55,1061 6.501,1062 26.668,1063 12.537,1064 2.781,1065 10.732,1066 22.875,1067 5.031,1068 14.32,1069 18.095,1070 7.068,1071 29.295,1072 13.675,1073 2.39,1074 9.412,1075 24.882,1076 4.48,1077 15.579,1078 19.688,1079 7.771,1080 31.948,1081 14.862,1082 2.009,1083 7.263,1084 26.897,1085 4.112,1086 16.827,1087 21.26,1088 8.374,1089 34.592,1090 16.029,1091 1.665,1092 5.862,1093 28.918,1094 3.069,1095 18.089,1096 22.851,1097 9.051,1098 37.246,1099 17.216,1100 1.618,1101 5.025,1102 30.944,1103 2.696,1104 19.35,1105 24.437,1106 9.674,1107 39.898,1108 18.398,1109 8661,1110 15096,1111 20.572,1112 32.364,1113 47.273,1114 48.667,1115 49.002,1116 47.081,1117 47.048,1118 66.696,1119 4.112,1120 142.304,1121 45.915,1122 5.903,1123 6.741,1124 7.565,1125 5.618,1126 5.608,1127 8.031,1128 3.306,1129 22.962,1130 5.364,1131 13.352,1132 1.525,1133 1.57,1134 1.581,1135 1.519,1136 1.518,1137 2.151,1138 0.133,1139 4.59,1140 1.481,1141 4.24,1142 4.243,1143 4.78,1144 4.198,1145 7.716,1146 4.148,1147 4.038,1148 4.063,1149 4.003,1150 3.971,1151 7.429,1152 3.976,1153 3.749,1154 3.761,1155 3.916,1156 3.689,1157 6.999,1158 3.607,1159 3.631,1160 3.654,1161 3.55,1162 3.453,1163 5.013,1164 3.46,1165 3.411,1166 3.458,1167 3.317,1168 3.321,1169 4.988,1170 3.301,1171 3.239,1172 3.28,1173 3.189,1174 3.096,1175 4.869,1176 3.092,1177 3.183,1178 3.26,1179 3.043,1180 2.913,1181 4.381,1182 2.933,1183 2.928,1184 2.975,1185 2.835,1186 2.811,1187 4.314,1188 2.795,1189 0.163,1190 0.153,1191 0.251,1192 0.147,1193 0.116,1194 5.06,1195 0.162,1196 4.741,1197 0.062,1198 7.793,1199 0.461,1200 4.544,1201 0.109,1202 3.608,1203 5.031,1204 1.907,1205 14.28,1206 3.364,1207 2.106,1208 2.105,1209 2.144,1210 2.153,1211 1.343,1212 2.177,1213 1.941,1214 1.92,1215 2.014,1216 2.031,1217 1.173,1218 2.032,1219 1.643,1220 1.654,1221 1.834,1222 1.846,1223 1.047,1224 1.851,1225 1.585,1226 1.534,1227 1.66,1228 1.76,1229 0.81,1230 1.781,1231 1.409,1232 1.373,1233 1.433,1234 1.56,1235 0.6,1236 1.577,1237 1.173,1238 1.13,1239 1.287,1240 1.415,1241 0.391,1242 1.396,1243 1.044,1244 0.971,1245 1.271,1246 1.321,1247 0.29,1248 1.329,1249 0.966,1250 0.913,1251 1.152,1252 1.119,1253 0.221,1254 1.146,1255 4.143,1257 5.493,1258 2.398,1259 7.057,1260 4.727,1261 8.724,1262 6.88,1263 10.445,1269 5.41,1271 0.412,1272 2.753,1280 31.105,1281 79.832,1282 163.301,1283 200.11,1284 229.329,1285 242.084,1286 246.084,1287 61.156,1288 7.799,1289 107.08,1290 115.46,1291 23,1292 12.852,1293 4.644,1294 3.858,1295 42.296,1296 100,1297 126,1298 0.21,1299 194.067,1300 324,1301 465.282,1302 26419,1304 19.725,1305 0.704,1306 0.56,1307 19.975,1308 15.686,1309 13.519,1310 0.436,1311 0.328,1312 8.741,1313 12.336,1314 8.467,1315 7.008,1316 14.308,1317 10.162,1318 12.399,1319 0.276,1320 0.178,1321 13.681,1322 8.031,1323 10.568,1324 0.168,1325 0.097,1326 11.882,1327 6.14,1328 9.41,1329 0.108,1330 0.054,1331 10.777,1332 4.676,1333 7.388,1334 0.068,1335 0.03,1336 8.69,1337 3.308,1338 0.322,1339 92.31,1340 0.22,1341 26.256,1342 0.6,1343 152,1344 467.002,1345 206.182,1346 475.54,1347 650.26,1348 438,1349 184,1350 458.048,1351 249.06,1352 500.287,1353 738.78,1354 471,1355 5.699} {0 CHEMBL484386,1 1.446,2 14.848,3 4.46,4 19.887,5 127.994,6 6.963,7 0.459,8 4.25,9 4.368,10 3.772,11 3.791,12 5.248,13 3.761,14 4.834,15 5.011,16 4.143,17 4.2,18 5.794,19 4.15,20 5.13,21 5.339,22 4.194,23 4.368,24 6.078,25 4.279,26 5.186,27 5.439,28 4.059,29 4.368,30 5.975,31 4.229,32 5.151,33 5.403,34 3.975,35 4.331,36 5.937,37 4.183,38 5.148,39 5.412,40 3.901,41 4.275,42 5.912,43 4.114,44 5.087,45 5.363,46 3.817,47 4.176,48 5.84,49 4.023,50 4.953,51 5.205,52 3.796,53 4.114,54 5.73,55 3.976,56 0.033,57 0.907,58 14.263,59 6.219,60 8.359,61 8.309,62 0.234,63 1.517,64 27.53,65 10.412,66 26.776,67 14.32,68 0.611,69 1.916,70 38.756,71 13.657,72 58.188,73 18.967,74 0.373,75 1.957,76 41.196,77 15.651,78 41.117,79 22.214,80 0.331,81 1.885,82 39.766,83 15.232,84 42.412,85 21.523,86 0.321,87 1.863,88 39.972,89 14.927,90 43.576,91 21.433,92 0.441,93 1.761,94 38.338,95 13.093,96 46.829,97 19.086,98 0.337,99 1.55,100 32.856,101 12.044,102 31.977,103 17.046,104 10,105 52,106 0.23,107 0.565,108 0.789,109 0.863,110 0.868,111 0.868,112 3.531,113 0.96,114 -4.05,115 -4,116 -3.79,119 42.2,120 2,121 3,122 1,125 4,127 1,140 8,141 2,142 3,144 2,156 1,169 11,172 10,174 1,176 1,178 13,181 2,182 8,184 1,186 2,189 10,192 1,193 6,197 2,199 12,203 8,208 1,211 8,215 10,220 2,222 4,225 1,226 7,233 5,237 3,240 1,244 8,248 1,249 5,256 10,259 1931,260 22.427,261 22.427,262 22.427,263 22.427,264 22.427,265 20.237,266 27.899,267 13.19,268 22.87,269 18.319,270 18.319,271 18.319,272 18.319,273 18.319,274 14.949,275 32.713,276 6.356,277 19.046,278 4.554,279 2.451,280 1.047,281 0.586,282 0.555,283 0.555,284 4.243,288 1,289 1,290 1091,291 3.317,295 493.188,299 327.958,302 2.365,303 24.974,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70.5,315 490,316 4.519,317 3.653,318 6.525,319 4.035,320 3.065,321 4.459,322 2.03,323 10.284,324 2.972,325 4.305,326 3.239,327 6.214,328 3.932,329 2.968,330 3.931,331 0.892,332 9.355,333 2.864,334 3.783,335 3.051,336 5.619,337 3.669,338 2.711,339 3.18,340 0.86,341 7.773,342 2.608,343 3.736,344 2.937,345 5.465,346 3.45,347 2.497,348 2.992,349 0.8,350 7.306,351 2.364,352 3.605,353 2.724,354 5.312,355 3.294,356 2.337,357 2.708,358 0.141,359 6.766,360 2.239,361 3.456,362 2.602,363 5.01,364 3.177,365 2.183,366 2.655,368 6.013,369 2.152,370 3.325,371 2.331,372 4.939,373 3.008,374 2.037,375 2.576,377 5.729,378 1.969,379 3.169,380 2.107,381 4.847,382 2.846,383 1.881,384 2.28,386 5.455,387 1.804,388 2.992,389 1.931,390 4.622,391 2.671,392 1.711,393 2.176,395 4.802,396 1.634,397 2.885,398 1.843,399 4.38,400 2.505,401 1.562,402 2.01,404 4.257,405 1.482,406 2.831,407 1.529,408 4.136,409 2.487,410 1.494,411 1.857,413 3.691,414 1.465,415 2.371,416 1.337,417 3.414,418 1.984,419 1,420 1.319,422 2.275,423 0.983,424 2.016,425 1.077,426 3.395,427 1.906,428 0.938,429 1,431 2.196,432 0.904,433 2,434 1.026,435 3.301,436 1.722,437 0.798,438 0.939,440 1.869,441 0.728,442 1.396,443 0.718,444 3.057,445 1.253,446 0.287,447 0.306,449 0.74,450 0.276,451 15.7,452 0.476,453 0.814,454 0.025,455 40.5,456 1.227,457 19,458 0.576,459 21.5,460 0.652,461 31.888,462 0.966,463 35.9,464 0.561,465 28.712,466 0.87,467 7.583,468 0.23,469 8.447,470 0.256,471 0.085,473 0.344,479 0.798,480 1.327,481 0.83,482 1.147,483 0.632,484 1.014,485 1.041,486 1.166,487 0.915,488 1.038,489 0.623,490 0.966,491 1.216,492 1.001,493 1.114,494 0.995,495 1.016,496 1.03,497 0.777,498 0.984,499 0.953,500 1.025,501 0.529,502 1.015,503 0.845,504 1.014,505 1.016,506 1.06,507 0.731,508 1.063,509 0.795,510 1.101,511 0.995,512 1.087,513 0.71,514 1.075,515 0.997,516 0.909,517 1.031,518 0.915,519 0.96,520 0.961,521 0.975,522 0.967,523 1.034,524 1.006,525 0.844,526 1.025,527 7.5,528 0.19,529 3.111,530 2,531 1.996,532 0.868,533 0.745,534 0.389,535 0.262,536 0.208,537 19003,538 44426,539 2.15,540 48.4,541 3,542 17,545 1,546 3,547 7,550 1.745,551 2.041,552 3.823,553 -0.412,555 1,559 92.528,560 1.446,561 3.549,562 4.953,563 5.414,564 5.445,565 5.445,566 3.257,567 4.84,568 5.019,569 4.033,570 2129.41,571 8.743,572 33975.9,574 1,577 384,578 1.301,579 4.989,580 0.203,581 0.008,582 0.06,583 0.038,584 0.044,585 0.021,586 0.02,587 0.011,588 0.008,589 0.007,590 0.421,591 0.33,592 0.88,593 0.467,594 179.658,595 -0.003,596 -0.141,597 0.074,598 -0.052,599 -0.018,600 0.01,601 -0.004,602 -0.058,603 0.048,604 -0.019,605 0.094,606 0.016,607 -0.004,608 0.047,609 -0.117,610 -0.015,611 0.009,612 -0.07,613 0.021,614 -0.017,615 0.011,616 -0.025,617 0.069,618 -0.01,619 -0.047,620 -0.053,621 -0.055,622 -0.056,623 -0.033,624 -0.056,625 -0.017,626 -0.155,627 -0.028,628 -0.097,629 -0.016,630 -0.072,631 -0.08,632 0.064,633 -0.037,634 0.032,635 -0.11,636 0.009,637 -0.059,638 0.008,639 -0.055,640 -0.024,641 -0.066,642 -0.037,643 1.751,644 4.59,645 0.788,646 38.046,647 0.995,648 1.124,649 2.823,650 7.967,651 0.657,652 3.638,653 3.97,654 4.22,655 4.5,656 4.762,657 4.779,658 4.86,659 5.011,660 5.056,661 5.069,662 8.72,663 0.618,664 445.61,665 3.638,666 5.187,667 6.033,668 6.911,669 7.769,670 8.648,671 9.511,672 10.389,673 11.255,674 12.133,675 4.7,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 64,716 18,717 2,718 37,720 68,721 27,722 15,723 6,724 6,730 5,731 7,736 2,740 2,741 1,743 4,745 16,746 11,747 1,750 1,755 1,759 1,764 31,765 6,766 1,767 6,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 2,827 33,833 7,834 1,835 2,837 2,838 1,847 4.7,850 1,852 2,854 16.167,855 11.983,856 7.083,857 4.087,858 3.408,859 1.406,860 0.993,861 6.522,862 11.803,863 3.861,864 4.443,865 4.978,866 5.557,867 6.125,868 6.342,869 6.607,870 6.953,871 7.161,872 6.936,873 0.9,874 52,875 12.255,877 5.241,878 7.561,879 24.079,881 20.395,883 2.061,884 68,888 353.133,889 140.581,890 37.921,892 47.145,895 140.581,896 400.278,897 37.921,898 17.65,899 36.524,900 75.81,901 46.635,902 49.027,904 353.133,906 353.133,907 178.502,908 47.145,911 270.735,912 129.542,915 62.199,916 99.517,917 16.786,919 353.133,920 85.065,921 140.581,924 353.133,925 47.121,926 96.585,927 18.011,928 63.93,929 353.133,930 85.065,931 140.581,933 0.585,934 0.332,935 0.184,936 0.107,937 26,938 11,939 0.088,940 6,941 2,942 1.154,943 4.59,944 300.672,945 0.154,946 26,947 157.71,951 22.183,952 9.702,953 5.313,954 2.05,955 85.065,956 16.386,957 4.611,961 4.745,963 18.011,964 578.78,965 46.5,970 11.59,974 -0.084,975 63.658,976 71.936,977 0.241,978 0.592,979 0.825,980 0.902,981 0.908,982 0.908,983 5.113,984 1.881,985 6.014,986 5.729,987 4.654,988 5.13,989 2.496,990 6.795,991 4.579,992 6.3,993 1.711,994 7.549,995 5.455,996 4.205,997 4.934,998 1.668,999 7.582,1000 4.102,1001 7.595,1002 1.562,1003 9.175,1004 4.802,1005 6.225,1006 7.29,1007 3.324,1008 10.661,1009 6.077,1010 8.918,1011 1.494,1012 10.855,1013 4.257,1014 6.538,1015 7.912,1016 3.213,1017 12.261,1018 6.36,1019 10.273,1020 1,1021 12.568,1022 3.691,1023 8.039,1024 9.781,1025 4.506,1026 14.852,1027 7.823,1028 11.649,1029 0.938,1030 14.307,1031 2.275,1032 8.733,1033 10.823,1034 4.752,1035 16.832,1036 8.483,1037 13.045,1038 0.798,1039 16.065,1040 2.196,1041 10.005,1042 12.479,1043 5.816,1044 19.242,1045 9.722,1046 3.065,1047 0.287,1048 17.839,1049 1.869,1050 10.897,1051 13.741,1052 6.248,1053 21.4,1054 10.581,1055 2.968,1056 10.284,1057 19.626,1058 0.74,1059 12.065,1060 15.299,1061 7.175,1062 23.742,1063 11.718,1064 2.711,1065 9.355,1066 21.424,1067 4.459,1068 13.06,1069 16.672,1070 7.714,1071 25.982,1072 12.679,1073 2.497,1074 7.773,1075 23.231,1076 3.931,1077 14.184,1078 18.186,1079 8.557,1080 28.302,1081 13.773,1082 2.337,1083 7.306,1084 25.047,1085 3.18,1086 15.23,1087 19.615,1088 9.16,1089 30.58,1090 14.786,1091 2.183,1092 6.766,1093 26.87,1094 2.992,1095 16.336,1096 21.11,1097 9.952,1098 32.894,1099 15.862,1100 2.037,1101 6.013,1102 28.699,1103 2.708,1104 17.409,1105 22.566,1106 10.594,1107 35.191,1108 16.903,1109 17401,1110 26787,1111 25.255,1112 42.04,1113 55.088,1114 56.627,1115 56.246,1116 54.932,1117 54.938,1118 68.773,1119 9.447,1120 157.021,1121 52.884,1122 5.519,1123 5.653,1124 6.052,1125 5.142,1126 5.065,1127 7.459,1128 3.634,1129 17.165,1130 4.972,1131 13.777,1132 1.489,1133 1.53,1134 1.52,1135 1.485,1136 1.485,1137 1.859,1138 0.255,1139 4.244,1140 1.429,1141 4.082,1142 4.109,1143 4.041,1144 4.003,1145 7.429,1146 4.009,1147 3.996,1148 4.027,1149 3.939,1150 3.907,1151 5.017,1152 3.909,1153 3.846,1154 3.898,1155 3.737,1156 3.696,1157 4.846,1158 3.697,1159 3.61,1160 3.658,1161 3.499,1162 3.452,1163 4.594,1164 3.453,1165 3.517,1166 3.561,1167 3.427,1168 3.387,1169 4.361,1170 3.382,1171 3.464,1172 3.512,1173 3.337,1174 3.281,1175 4.281,1176 3.299,1177 3.169,1178 3.244,1179 3.029,1180 2.986,1181 4.193,1182 2.984,1183 3.111,1184 3.206,1185 2.93,1186 2.947,1187 3.915,1188 2.932,1189 0.122,1190 0.099,1191 0.176,1192 0.109,1193 0.083,1194 4.519,1195 0.121,1196 3.653,1197 0.055,1198 6.525,1199 0.278,1200 4.035,1201 0.08,1202 3.065,1203 4.459,1204 2.03,1205 10.284,1206 2.972,1207 2.033,1208 2.012,1209 2.114,1210 2.127,1211 1.479,1212 2.123,1213 1.961,1214 1.932,1215 2.101,1216 2.083,1217 1.227,1218 2.09,1219 1.815,1220 1.765,1221 1.972,1222 1.992,1223 1.165,1224 1.987,1225 1.583,1226 1.533,1227 1.827,1228 1.782,1229 1.068,1230 1.797,1231 1.508,1232 1.457,1233 1.728,1234 1.664,1235 0.825,1236 1.681,1237 1.414,1238 1.375,1239 1.616,1240 1.63,1241 0.808,1242 1.638,1243 1.156,1244 1.083,1245 1.513,1246 1.387,1247 0.795,1248 1.429,1249 1.153,1250 1.064,1251 1.453,1252 1.376,1253 0.664,1254 1.414,1255 4.317,1257 5.645,1259 7.165,1261 8.773,1263 10.427,1265 4.16,1271 6.563,1272 2.91,1273 11.795,1275 0.765,1276 2.51,1280 39.584,1281 92.528,1282 227.138,1283 316.98,1284 346.49,1285 348.49,1286 348.49,1287 51.232,1288 8.395,1289 63.69,1290 63.69,1291 30,1292 12.672,1293 4.248,1294 3.392,1295 48.307,1296 177,1297 147,1298 0.131,1299 238.822,1300 416.77,1301 574.485,1302 66488,1304 22.786,1305 0.69,1306 0.586,1307 22.786,1308 19.342,1309 16.03,1310 0.433,1311 0.32,1312 11.702,1313 15.473,1314 11.378,1315 9.397,1316 16.03,1317 11.843,1318 14.85,1319 0.286,1320 0.179,1321 14.85,1322 9.319,1323 12.116,1324 0.181,1325 0.098,1326 12.116,1327 6.583,1328 10.42,1329 0.117,1330 0.055,1331 10.42,1332 4.913,1333 8.87,1334 0.076,1335 0.031,1336 8.87,1337 3.654,1338 0.214,1339 99.911,1340 0.199,1341 31.484,1342 0.334,1343 178,1344 466.83,1345 194.154,1346 446.614,1347 619.35,1348 422,1349 208,1350 461.638,1351 224.572,1352 465.215,1353 681.71,1354 439,1355 7.1} {0 CHEMBL484387,1 1.541,2 15.032,3 2.932,4 8.595,5 115.33,6 7.491,7 0.486,8 4.145,9 4.249,10 3.728,11 3.662,12 5.205,13 3.659,14 4.693,15 4.852,16 4.056,17 4.024,18 5.735,19 4.006,20 4.914,21 5.098,22 4.088,23 4.129,24 5.969,25 4.082,26 4.916,27 5.139,28 3.914,29 4.069,30 5.836,31 3.978,32 4.818,33 5.042,34 3.773,35 3.998,36 5.703,37 3.886,38 4.781,39 5.022,40 3.702,41 3.918,42 5.669,43 3.8,44 4.745,45 4.992,46 3.619,47 3.845,48 5.573,49 3.734,50 4.61,51 4.838,52 3.577,53 3.819,54 5.437,55 3.705,56 0.04,57 0.801,58 11.434,59 5.246,60 6.481,61 6.554,62 0.312,63 1.283,64 22.691,65 8.449,66 27.897,67 10.808,68 0.619,69 1.514,70 30.055,71 10.396,72 53.975,73 13.497,74 0.559,75 1.448,76 31.499,77 11.283,78 43.133,79 15.155,80 0.429,81 1.329,82 28.187,83 10.646,84 38.9,85 14.429,86 0.385,87 1.302,88 27.414,89 9.876,90 43.044,91 13.889,92 0.58,93 1.238,94 27.523,95 8.973,96 41.785,97 12.433,98 0.253,99 1.145,100 22.25,101 8.341,102 26.368,103 11.576,104 5,105 49,106 0.252,107 0.575,108 0.765,109 0.869,110 0.883,111 0.883,112 3.471,113 0.904,114 -2.95,115 -2.95,116 -2.85,119 42.9,120 1,122 1,125 6,140 8,141 1,142 4,144 2,156 1,169 5,172 11,174 1,176 1,178 6,181 2,182 7,184 1,186 1,189 5,192 2,193 4,195 1,197 1,199 7,202 1,203 4,211 3,214 1,215 6,220 1,222 1,225 2,226 4,233 2,237 1,240 1,244 2,248 1,249 6,256 2,259 1648,260 21.273,261 21.273,262 21.273,263 21.273,264 21.273,265 19.082,266 28.574,267 12.557,268 21.826,269 17.335,270 17.335,271 17.335,272 17.335,273 17.335,274 13.945,275 40.631,276 6.038,277 18.237,278 4.266,279 2.29,280 1.125,281 0.491,282 0.406,283 0.406,284 4.183,288 1,289 1,290 1043,291 3.162,293 73.737,295 365.595,299 310.002,302 2.289,303 27.197,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 466,316 4.516,317 3.653,318 6.517,319 4.027,320 3.054,321 4.458,322 2.03,323 10.248,324 2.968,325 4.302,326 3.189,327 6.212,328 3.916,329 2.962,330 3.93,331 0.892,332 9.342,333 2.819,334 3.839,335 3.105,336 5.8,337 3.776,338 2.828,339 3.17,340 0.86,341 8.375,342 2.683,343 3.714,344 3.024,345 5.323,346 3.319,347 2.366,348 2.97,349 0.86,350 6.748,351 2.263,352 3.662,353 2.704,354 5.27,355 3.288,356 2.339,357 2.813,358 0.8,359 6.715,360 2.218,361 3.418,362 2.606,363 4.953,364 3.04,365 2.065,366 2.632,367 0.141,368 5.784,369 1.976,370 3.297,371 2.179,372 4.815,373 2.871,374 1.916,375 2.624,377 5.305,378 1.821,379 2.995,380 2.035,381 4.63,382 2.703,383 1.749,384 2.219,386 4.93,387 1.662,388 2.885,389 1.897,390 4.385,391 2.509,392 1.567,393 2.01,395 4.272,396 1.499,397 2.809,398 1.585,399 4.194,400 2.503,401 1.517,402 1.82,404 3.808,405 1.466,406 2.464,407 1.455,408 3.508,409 2.097,410 1.173,411 1.452,413 2.637,414 1.073,415 2.118,416 1.344,417 3.337,418 1.825,419 0.881,420 1.063,422 2.036,423 0.824,424 2.004,425 1.058,426 3.278,427 1.716,428 0.791,429 0.932,431 1.844,432 0.724,433 1.602,434 0.894,435 3.083,436 1.376,437 0.485,438 0.529,440 1.182,441 0.428,442 1.227,443 0.661,444 3,445 0.951,451 14.533,452 0.469,453 0.708,454 0.023,455 40.5,456 1.306,457 19.5,458 0.629,459 21,460 0.677,461 24.719,462 0.797,463 33.467,464 0.598,465 28.57,466 0.922,467 8.016,468 0.259,469 7.12,470 0.23,471 0.057,473 0.337,479 0.825,480 1.355,481 0.752,482 1.154,483 0.632,484 0.972,485 1.182,486 1.128,487 0.935,488 0.997,489 0.731,490 0.927,491 1.244,492 1.014,493 1.105,494 1.01,495 1.113,496 1.023,497 1.02,498 0.92,499 1.012,500 0.988,501 0.714,502 1.003,503 0.852,504 1.046,505 1.017,506 1.084,507 0.821,508 1.089,509 0.721,510 1.117,511 0.978,512 1.105,513 0.704,514 1.09,515 1.083,516 0.862,517 1.076,518 0.839,519 0.84,520 0.936,521 0.737,522 1.103,523 1.073,524 1.152,525 0.882,526 1.165,527 6.5,528 0.111,529 2.889,530 1.875,531 1.756,532 0.674,533 0.503,534 0.319,535 0.209,536 0.191,537 17311,538 44326,539 2.18,540 44.6,542 20,545 1,546 3,549 1,550 1.726,551 2.09,552 3.829,553 -0.361,554 1,555 1,559 86.321,560 1.541,561 3.517,562 4.682,563 5.316,564 5.401,565 5.401,566 3.229,567 4.89,568 4.931,569 4.053,570 1884.69,571 8.548,572 29833.4,574 1,576 1,577 325.212,578 1.215,579 4.907,580 0.186,581 0.005,582 0.061,583 0.041,584 0.046,585 0.02,586 0.017,587 0.011,588 0.008,589 0.008,590 0.404,591 0.33,592 0.88,593 0.415,594 167.432,595 -0.031,596 -0.193,597 0.076,598 -0.094,599 -0.027,600 -0.006,601 -0.1,602 -0.041,603 -0.001,604 -0.006,605 0.029,606 0.013,607 -0.044,608 0.023,609 -0.125,610 -0.044,611 -0.024,612 -0.087,613 0.008,614 0.033,615 -0.018,616 -0.001,617 0.018,618 -0.015,619 0.021,620 -0.103,621 -0.048,622 -0.075,623 -0.024,624 -0.076,625 0.068,626 -0.156,627 -0.003,628 -0.12,629 0.071,630 -0.082,631 -0.061,632 0.103,633 -0.058,634 0.112,635 -0.09,636 0.039,637 -0.034,638 -0.088,639 -0.133,640 -0.162,641 -0.099,642 -0.165,643 1.809,644 4.454,645 0.774,646 34.166,647 1.006,648 1.123,649 1.718,650 2.952,651 0.664,652 3.584,653 3.912,654 4.174,655 4.407,656 4.644,657 4.663,658 4.718,659 4.852,660 4.949,661 4.913,662 8.929,663 0.638,664 419.52,665 3.584,666 5.13,667 5.979,668 6.855,669 7.716,670 8.594,671 9.459,672 10.337,673 11.203,674 12.081,675 5.4,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 3,714 56,715 1,716 18,717 2,718 35,720 60,721 24,722 15,723 6,724 6,730 5,731 7,736 1,741 1,745 16,746 8,747 1,750 1,755 1,759 1,761 1,764 25,765 7,766 1,767 7,773 3,777 0.6,778 4,786 1,791 1,793 4,797 2,805 1,815 1,819 3,823 1,827 31,833 6,834 1,835 3,837 1,838 1,847 7.1,850 1,852 3,854 14.833,855 10.317,856 6.667,857 3.365,858 3.469,859 1.417,860 1,861 5.77,862 11.787,863 3.818,864 4.407,865 4.958,866 5.518,867 6.082,868 6.291,869 6.541,870 6.864,871 7.106,872 6.813,873 0.9,874 46,875 11.481,877 4.93,878 7.651,879 22.224,881 18.6,883 2.151,884 66.667,887 1,888 282.506,889 135.395,890 37.921,892 58.145,895 135.395,896 340.651,897 37.921,898 8.825,899 38.105,900 75.81,901 46.635,902 62.085,904 282.506,906 282.506,907 173.316,908 58.145,911 282.506,912 58.145,915 54.955,916 101.575,917 16.786,919 282.506,920 96.065,921 135.395,924 282.506,925 50.76,926 87.759,927 18.011,928 74.93,929 282.506,930 96.065,931 135.395,933 0.583,934 0.334,935 0.178,936 0.101,937 25,938 10,939 0.117,940 7,941 2,942 1.167,943 4.577,944 269.321,945 0.167,946 24,947 147.58,951 20.252,952 8.832,953 4.665,954 2.015,955 96.065,956 15.605,957 4.558,961 3.978,963 18.011,964 513.967,965 44.5,970 11.454,974 -0.142,975 56.334,976 62.9,977 0.265,978 0.606,979 0.806,980 0.915,981 0.93,982 0.93,983 5.064,984 1.749,985 5.953,986 5.305,987 4.595,988 5.094,989 2.611,990 6.735,991 4.499,992 6.251,993 1.567,994 7.487,995 4.93,996 4.111,997 4.89,998 1.668,999 7.526,1000 3.997,1001 7.552,1002 1.517,1003 9.115,1004 4.272,1005 6.18,1006 7.275,1007 3.362,1008 10.626,1009 5.996,1010 8.883,1011 1.173,1012 10.798,1013 3.808,1014 6.494,1015 7.901,1016 3.213,1017 12.25,1018 6.288,1019 10.245,1020 0.881,1021 12.519,1022 2.637,1023 8.013,1024 9.776,1025 4.515,1026 14.843,1027 7.751,1028 11.628,1029 0.791,1030 14.265,1031 2.036,1032 8.719,1033 10.82,1034 4.752,1035 16.837,1036 8.429,1037 13.03,1038 0.485,1039 16.03,1040 1.844,1041 9.999,1042 12.477,1043 5.818,1044 19.244,1045 9.662,1046 3.054,1048 17.811,1049 1.182,1050 10.903,1051 13.739,1052 6.248,1053 21.406,1054 10.534,1055 2.962,1056 10.248,1057 19.605,1059 12.075,1060 15.297,1061 7.175,1062 23.744,1063 11.667,1064 2.828,1065 9.342,1066 21.409,1067 4.458,1068 13.077,1069 16.67,1070 7.714,1071 25.982,1072 12.635,1073 2.366,1074 8.375,1075 23.221,1076 3.93,1077 14.202,1078 18.184,1079 8.557,1080 28.295,1081 13.724,1082 2.339,1083 6.748,1084 25.041,1085 3.17,1086 15.252,1087 19.612,1088 9.16,1089 30.569,1090 14.739,1091 2.065,1092 6.715,1093 26.866,1094 2.97,1095 16.358,1096 21.107,1097 9.952,1098 32.876,1099 15.812,1100 1.916,1101 5.784,1102 28.697,1103 2.813,1104 17.431,1105 22.563,1106 10.594,1107 35.167,1108 16.851,1109 15748,1110 25380,1111 24.156,1112 37.21,1113 51.649,1114 53.419,1115 52.611,1116 51.291,1117 51.387,1118 65.243,1119 11.167,1120 146.453,1121 48.848,1122 5.516,1123 5.653,1124 6.092,1125 5.135,1126 5.054,1127 7.458,1128 3.634,1129 17.078,1130 4.968,1131 11.154,1132 1.476,1133 1.526,1134 1.503,1135 1.465,1136 1.468,1137 1.864,1138 0.319,1139 4.184,1140 1.396,1141 4.078,1142 4.103,1143 4.039,1144 3.999,1145 7.429,1146 4.006,1147 3.973,1148 4,1149 3.924,1150 3.854,1151 5.017,1152 3.866,1153 3.869,1154 3.923,1155 3.767,1156 3.71,1157 4.905,1158 3.715,1159 3.545,1160 3.588,1161 3.451,1162 3.428,1163 4.588,1164 3.424,1165 3.504,1166 3.532,1167 3.427,1168 3.28,1169 4.544,1170 3.314,1171 3.376,1172 3.434,1173 3.224,1174 3.193,1175 4.316,1176 3.191,1177 3.094,1178 3.162,1179 2.975,1180 2.949,1181 4.2,1182 2.936,1183 3.043,1184 3.098,1185 2.893,1186 2.805,1187 3.974,1188 2.821,1189 0.129,1190 0.104,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.653,1197 0.058,1198 6.517,1199 0.293,1200 4.027,1201 0.085,1202 3.054,1203 4.458,1204 2.03,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.108,1210 2.126,1211 1.429,1212 2.121,1213 1.906,1214 1.885,1215 2.049,1216 2.066,1217 1.22,1218 2.062,1219 1.835,1220 1.779,1221 1.969,1222 2.01,1223 1.084,1224 1.998,1225 1.534,1226 1.49,1227 1.743,1228 1.701,1229 0.965,1230 1.712,1231 1.411,1232 1.378,1233 1.661,1234 1.652,1235 0.804,1236 1.643,1237 1.359,1238 1.302,1239 1.579,1240 1.571,1241 0.719,1242 1.59,1243 1.111,1244 1.039,1245 1.424,1246 1.305,1247 0.511,1248 1.35,1249 0.974,1250 0.92,1251 1.296,1252 1.274,1253 0.479,1254 1.279,1255 4.263,1257 5.617,1259 7.157,1261 8.782,1263 10.449,1265 1.995,1271 4.222,1272 2.803,1273 17.323,1275 0.492,1276 2.364,1280 35.718,1281 86.321,1282 196.947,1283 262.192,1284 297.702,1285 302.457,1286 302.457,1287 45.169,1288 8.318,1289 72.92,1290 72.92,1291 28,1292 12.62,1293 4.248,1294 3.392,1295 44.212,1296 172,1297 133,1298 0.123,1299 214.041,1300 373.66,1301 514.02,1302 62807,1304 21.209,1305 0.684,1306 0.563,1307 21.209,1308 17.466,1309 15.136,1310 0.432,1311 0.301,1312 10.371,1313 14.45,1314 10.143,1315 8.333,1316 15.136,1317 10.549,1318 13.862,1319 0.283,1320 0.164,1321 13.862,1322 8.055,1323 11.546,1324 0.18,1325 0.087,1326 11.546,1327 5.599,1328 9.496,1329 0.117,1330 0.047,1331 9.496,1332 3.841,1333 7.927,1334 0.077,1335 0.025,1336 7.927,1337 2.601,1338 0.204,1339 95.548,1340 0.203,1341 30.243,1342 0.307,1343 168,1344 500.565,1345 187.032,1346 469.098,1347 645.69,1348 444,1349 197,1350 475.183,1351 217.061,1352 475.5,1353 698.54,1354 448,1355 8.1} {0 CHEMBL484742,1 1.497,2 13.267,3 2.98,4 8.882,5 114.234,6 7.337,7 0.5,8 4.118,9 4.229,10 3.687,11 3.664,12 5.155,13 3.648,14 4.689,15 4.853,16 4.063,17 4.065,18 5.701,19 4.034,20 4.967,21 5.161,22 4.113,23 4.211,24 5.977,25 4.147,26 4.992,27 5.227,28 3.941,29 4.181,30 5.854,31 4.067,32 4.897,33 5.134,34 3.847,35 4.148,36 5.725,37 4.017,38 4.914,39 5.155,40 3.801,41 4.109,42 5.737,43 3.97,44 4.888,45 5.145,46 3.687,47 3.991,48 5.712,49 3.85,50 4.749,51 5.019,52 3.559,53 3.81,54 5.543,55 3.688,56 0.01,57 0.788,58 11.46,59 5.178,60 6.749,61 6.66,62 0.197,63 1.319,64 22.587,65 8.635,66 22.998,67 11.414,68 0.498,69 1.641,70 31.879,71 11.216,72 53.918,73 14.92,74 0.442,75 1.619,76 33.88,77 12.524,78 40.995,79 17.209,80 0.225,81 1.519,82 29.887,83 12.053,84 32.358,85 16.746,86 0.266,87 1.519,88 30.839,89 12.032,90 34.894,91 16.836,92 0.354,93 1.473,94 31.009,95 10.759,96 43.376,97 15.352,98 0.365,99 1.252,100 27.803,101 9.104,102 33.692,103 12.898,104 5,105 48,106 0.245,107 0.59,108 0.785,109 0.856,110 0.862,111 0.862,112 3.44,113 0.922,114 -3.44,115 -3.42,116 -3.27,119 43.6,120 1,121 2,125 4,127 1,140 8,141 2,142 3,144 2,156 1,169 7,172 12,174 1,176 1,178 8,181 1,182 8,184 1,186 2,189 5,192 2,193 6,197 1,199 11,203 2,206 1,211 10,214 1,215 7,222 7,225 1,226 4,231 2,236 1,237 5,244 4,249 2,252 1,256 6,259 1344,260 20.566,261 20.566,262 20.566,263 20.566,264 20.566,265 18.375,266 28.159,267 12.074,268 20.989,269 16.835,270 16.835,271 16.835,272 16.835,273 16.835,274 13.465,275 40.004,276 5.818,277 17.55,278 4.284,279 2.182,280 0.996,281 0.559,282 0.523,283 0.523,284 4.156,288 1,289 1,290 894,291 2.646,295 415.765,299 277.599,302 2.116,303 24.138,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64.5,315 398,316 4.519,317 3.653,318 6.526,319 4.036,320 3.067,321 4.459,322 2.03,323 10.291,324 2.973,325 4.305,326 3.246,327 6.214,328 3.929,329 2.968,330 3.931,331 0.916,332 9.355,333 2.85,334 3.788,335 3.086,336 5.608,337 3.618,338 2.677,339 3.181,340 0.892,341 7.733,342 2.514,343 3.722,344 2.923,345 5.442,346 3.386,347 2.434,348 2.991,349 0.86,350 7.212,351 2.324,352 3.551,353 2.738,354 5.174,355 3.24,356 2.263,357 2.698,358 0.172,359 6.382,360 2.196,361 3.417,362 2.436,363 4.974,364 3.1,365 2.117,366 2.647,367 0.141,368 5.893,369 2.068,370 3.267,371 2.267,372 4.907,373 2.885,374 1.928,375 2.49,377 5.639,378 1.831,379 3.038,380 1.968,381 4.763,382 2.732,383 1.768,384 2.22,386 5.122,387 1.695,388 2.942,389 1.897,390 4.381,391 2.505,392 1.563,393 2.025,395 4.259,396 1.489,397 2.883,398 1.533,399 4.16,400 2.493,401 1.501,402 2.005,404 3.731,405 1.465,406 2.388,407 1.339,408 3.414,409 1.984,410 1,411 1.342,413 2.275,414 0.983,415 2.017,416 1.077,417 3.408,418 1.921,419 0.955,420 1,422 2.238,423 0.918,424 2,425 1.053,426 3.3,427 1.72,428 0.797,429 0.94,431 1.867,432 0.726,433 1.453,434 0.733,435 3.059,436 1.24,437 0.302,438 0.334,440 0.774,441 0.281,442 1.256,443 0.55,444 2.822,445 0.905,446 -0.041,447 -0.049,449 -0.109,450 -0.039,451 14.2,452 0.473,453 0.708,454 0.024,455 39,456 1.3,457 19,458 0.633,459 20,460 0.667,461 25.336,462 0.845,463 32,464 0.582,465 27.496,466 0.917,467 7.559,468 0.252,469 7.077,470 0.236,471 0.059,473 0.345,479 0.8,480 1.307,481 0.773,482 1.107,483 0.614,484 0.96,485 1.068,486 1.159,487 0.898,488 1.015,489 0.648,490 0.937,491 1.28,492 1.031,493 1.108,494 1.001,495 1.057,496 1.018,497 0.968,498 0.929,499 1.015,500 0.972,501 0.629,502 1,503 0.621,504 0.986,505 0.973,506 1.08,507 0.691,508 1.082,509 0.691,510 1.121,511 1.016,512 1.147,513 0.723,514 1.141,515 0.917,516 1.084,517 1.089,518 1.069,519 0.962,520 1.096,521 1.124,522 0.81,523 1.007,524 0.848,525 0.778,526 0.89,527 6.5,528 0.136,529 2.889,530 1.625,531 1.836,532 0.701,533 0.562,534 0.356,535 0.266,536 0.144,537 14300,538 35181,539 2.186,540 45.5,542 17,545 1,546 3,548 4,550 1.721,551 2.093,552 3.671,553 -0.382,554 1,555 1,559 82.33,560 1.497,561 3.6,562 4.786,563 5.222,564 5.259,565 5.259,566 3.083,567 4.19,568 4.881,569 3.866,570 1681.61,571 8.471,572 24372.4,574 1,576 1,577 317.975,578 1.231,579 4.859,580 0.191,581 0.006,582 0.06,583 0.034,584 0.046,585 0.019,586 0.017,587 0.012,588 0.01,589 0.006,590 0.402,591 0.33,592 0.88,593 0.424,594 157.162,595 -0.018,596 -0.156,597 0.074,598 -0.06,599 -0.024,600 0.008,601 -0.033,602 -0.063,603 0.032,604 -0.025,605 0.06,606 0.009,607 -0.057,608 0.008,609 -0.125,610 -0.037,611 -0.015,612 -0.079,613 -0.011,614 0.03,615 -0.031,616 0.017,617 0.027,618 -0.008,619 0.014,620 -0.018,621 -0.036,622 -0.064,623 -0.021,624 -0.059,625 0.031,626 -0.17,627 -0.061,628 -0.141,629 -0.027,630 -0.124,631 -0.038,632 -0.111,633 -0.095,634 -0.11,635 -0.091,636 -0.112,637 -0.088,638 0.152,639 0.023,640 0.09,641 -0.037,642 0.082,643 1.767,644 4.547,645 0.867,646 30.8,647 1,648 1.122,649 2.209,650 4.881,651 0.668,652 3.555,653 3.892,654 4.159,655 4.443,656 4.727,657 4.754,658 4.844,659 5.024,660 5.112,661 5.118,662 7.812,663 0.636,664 403.52,665 3.555,666 5.106,667 5.958,668 6.838,669 7.704,670 8.585,671 9.455,672 10.336,673 11.208,674 12.089,675 5.5,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 55,716 18,717 2,718 34,720 59,721 24,722 15,723 6,724 6,730 5,731 7,736 1,740 3,743 3,745 16,746 8,750 1,755 1,759 1,761 1,764 25,765 6,766 1,767 6,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 30,833 6,834 1,835 2,837 1,838 1,847 5.5,850 1,852 2,854 14.333,855 10.15,856 6.417,857 3.421,858 3.48,859 1.419,860 1.015,861 5.32,862 11.786,863 3.795,864 4.394,865 4.951,866 5.538,867 6.118,868 6.344,869 6.62,870 6.98,871 7.22,872 7.045,873 0.889,874 48,875 11.126,877 4.802,878 7.606,879 21.69,881 18.368,883 2.106,884 63.167,887 1,888 282.506,889 129.221,890 37.921,892 47.145,895 129.221,896 329.651,897 37.921,898 8.825,899 33.989,900 75.81,901 46.635,902 49.027,904 282.506,906 282.506,907 167.142,908 47.145,911 235.422,912 94.229,915 50.84,916 99.517,917 16.786,919 282.506,920 85.065,921 129.221,924 282.506,925 44.586,926 87.759,927 18.011,928 63.93,929 282.506,930 85.065,931 129.221,933 0.586,934 0.336,935 0.185,936 0.109,937 25,938 10,939 0.068,940 4,941 2,942 1.154,943 4.325,944 269.549,945 0.154,946 26,947 141.207,951 19.347,952 8.249,953 4.306,954 2.053,955 85.065,956 16.238,957 4.6,961 4.617,963 18.011,964 496.793,965 43.5,970 11.547,974 -0.101,975 55.007,976 61.69,977 0.259,978 0.623,979 0.828,980 0.903,981 0.91,982 0.91,983 5.045,984 1.768,985 5.938,986 5.639,987 4.575,988 5.081,989 2.54,990 6.725,991 4.493,992 6.237,993 1.563,994 7.476,995 5.122,996 4.111,997 4.89,998 1.668,999 7.526,1000 3.997,1001 7.537,1002 1.501,1003 9.106,1004 4.259,1005 6.151,1006 7.265,1007 3.341,1008 10.609,1009 5.988,1010 8.867,1011 1,1012 10.79,1013 3.731,1014 6.463,1015 7.893,1016 3.22,1017 12.227,1018 6.265,1019 10.228,1020 0.955,1021 12.51,1022 2.275,1023 7.974,1024 9.77,1025 4.511,1026 14.821,1027 7.735,1028 11.61,1029 0.797,1030 14.254,1031 2.238,1032 8.672,1033 10.816,1034 4.754,1035 16.812,1036 8.396,1037 13.011,1038 0.302,1039 16.018,1040 1.867,1041 9.951,1042 12.475,1043 5.817,1044 19.225,1045 9.639,1046 3.067,1047 -0.041,1048 17.797,1049 0.774,1050 10.849,1051 13.738,1052 6.249,1053 21.39,1054 10.5,1055 2.968,1056 10.291,1057 19.589,1058 -0.109,1059 12.022,1060 15.298,1061 7.175,1062 23.735,1063 11.64,1064 2.677,1065 9.355,1066 21.391,1067 4.459,1068 13.022,1069 16.671,1070 7.714,1071 25.98,1072 12.605,1073 2.434,1074 7.733,1075 23.203,1076 3.931,1077 14.149,1078 18.186,1079 8.557,1080 28.301,1081 13.701,1082 2.263,1083 7.212,1084 25.023,1085 3.181,1086 15.2,1087 19.614,1088 9.16,1089 30.582,1090 14.717,1091 2.117,1092 6.382,1093 26.849,1094 2.991,1095 16.31,1096 21.11,1097 9.952,1098 32.897,1099 15.796,1100 1.928,1101 5.893,1102 28.681,1103 2.698,1104 17.386,1105 22.566,1106 10.594,1107 35.196,1108 16.84,1109 13027,1110 20590,1111 23.463,1112 36.756,1113 50.756,1114 52.279,1115 51.602,1116 50.647,1117 50.681,1118 64.526,1119 10.024,1120 145.542,1121 48.63,1122 5.519,1123 5.653,1124 6.053,1125 5.144,1126 5.067,1127 7.459,1128 3.634,1129 17.174,1130 4.973,1131 10.747,1132 1.493,1133 1.538,1134 1.518,1135 1.49,1136 1.491,1137 1.898,1138 0.295,1139 4.281,1140 1.43,1141 4.083,1142 4.109,1143 4.043,1144 4.003,1145 7.429,1146 4.009,1147 3.983,1148 4.012,1149 3.932,1150 3.885,1151 5.016,1152 3.891,1153 3.812,1154 3.865,1155 3.702,1156 3.655,1157 4.846,1158 3.656,1159 3.536,1160 3.577,1161 3.452,1162 3.421,1163 4.588,1164 3.415,1165 3.504,1166 3.543,1167 3.407,1168 3.308,1169 4.35,1170 3.336,1171 3.205,1172 3.261,1173 3.097,1174 3.008,1175 4.259,1176 3.019,1177 3.111,1178 3.206,1179 2.937,1180 2.943,1181 4.069,1182 2.93,1183 3.082,1184 3.157,1185 2.866,1186 2.941,1187 3.881,1188 2.91,1189 0.133,1190 0.107,1191 0.192,1192 0.119,1193 0.09,1194 4.519,1195 0.131,1196 3.653,1197 0.06,1198 6.526,1199 0.303,1200 4.036,1201 0.087,1202 3.067,1203 4.459,1204 2.03,1205 10.291,1206 2.973,1207 2.034,1208 2.013,1209 2.112,1210 2.13,1211 1.399,1212 2.126,1213 1.937,1214 1.911,1215 2.056,1216 2.068,1217 1.216,1218 2.064,1219 1.783,1220 1.731,1221 1.964,1222 1.966,1223 1.155,1224 1.966,1225 1.526,1226 1.48,1227 1.734,1228 1.684,1229 0.825,1230 1.693,1231 1.434,1232 1.399,1233 1.622,1234 1.65,1235 0.811,1236 1.653,1237 1.157,1238 1.098,1239 1.513,1240 1.393,1241 0.796,1242 1.429,1243 1.153,1244 1.064,1245 1.425,1246 1.376,1247 0.638,1248 1.398,1249 1.106,1250 1.034,1251 1.408,1252 1.302,1253 0.479,1254 1.348,1255 4.234,1257 5.565,1259 7.093,1261 8.711,1263 10.374,1265 2.006,1271 4.875,1272 2.882,1273 11.804,1275 0.212,1276 2.432,1280 35.003,1281 82.33,1282 197.975,1283 263.22,1284 287.22,1285 289.22,1286 289.22,1287 42.75,1288 8.307,1289 63.69,1290 63.69,1291 30,1292 12.626,1293 4.248,1294 3.392,1295 41.976,1296 147,1297 118,1298 0.141,1299 210.045,1300 364.87,1301 504.269,1302 56538,1304 20.501,1305 0.683,1306 0.569,1307 20.501,1308 17.058,1309 14.636,1310 0.43,1311 0.307,1312 10.308,1313 14.087,1314 10.071,1315 8.279,1316 14.636,1317 10.449,1318 13.509,1319 0.281,1320 0.167,1321 13.509,1322 8.036,1323 11.312,1324 0.18,1325 0.091,1326 11.312,1327 5.742,1328 9.666,1329 0.115,1330 0.05,1331 9.666,1332 4.183,1333 8.425,1334 0.075,1335 0.028,1336 8.425,1337 3.124,1338 0.229,1339 91.548,1340 0.206,1341 28.878,1342 0.367,1343 164,1344 452.83,1345 180.154,1346 431.671,1347 598.77,1348 408,1349 193,1350 446.638,1351 209.849,1352 449.158,1353 660.19,1354 424,1355 5.9} {0 CHEMBL484743,1 1.479,2 14.065,3 3.558,4 12.661,5 119.051,6 7.199,7 0.486,8 4.164,9 4.277,10 3.716,11 3.708,12 5.186,13 3.687,14 4.74,15 4.908,16 4.081,17 4.115,18 5.726,19 4.075,20 5.018,21 5.219,22 4.137,23 4.271,24 5.996,25 4.193,26 5.082,27 5.33,28 3.959,29 4.227,30 5.91,31 4.101,32 4.972,33 5.226,34 3.835,35 4.15,36 5.781,37 4.013,38 4.887,39 5.128,40 3.788,41 4.111,42 5.693,43 3.969,44 4.913,45 5.161,46 3.75,47 4.07,48 5.72,49 3.93,50 4.862,51 5.122,52 3.673,53 3.974,54 5.652,55 3.838,56 0.017,57 0.828,58 12.408,59 5.525,60 6.76,61 7.215,62 0.226,63 1.386,64 24.305,65 9.235,66 25.166,67 12.399,68 0.454,69 1.741,70 33.65,71 12.15,72 51.299,73 16.61,74 0.415,75 1.743,76 37.61,77 13.705,78 43.106,79 19.099,80 0.4,81 1.582,82 33.552,83 12.558,84 39.584,85 17.602,86 0.236,87 1.487,88 29.852,89 11.902,90 31.594,91 16.744,92 0.353,93 1.5,94 31.503,95 11.523,96 40.086,97 16.237,98 0.284,99 1.427,100 30.163,101 10.504,102 32.335,103 15.067,104 5,105 49,106 0.24,107 0.584,108 0.792,109 0.859,110 0.865,111 0.865,112 3.471,113 0.935,114 -3.65,115 -3.62,116 -3.44,119 43.1,120 1,121 2,122 1,125 5,140 8,141 2,142 3,144 2,156 1,169 9,172 11,174 1,176 1,178 8,181 1,182 11,184 1,186 2,189 5,192 1,193 6,197 1,199 9,202 1,203 2,206 1,211 13,214 1,215 3,222 11,225 1,226 5,231 2,233 5,237 6,242 1,244 1,248 1,249 6,256 4,259 1556,260 21.273,261 21.273,262 21.273,263 21.273,264 21.273,265 19.082,266 27.08,267 12.52,268 21.694,269 17.319,270 17.319,271 17.319,272 17.319,273 17.319,274 13.939,275 34.269,276 6.017,277 18.006,278 4.379,279 2.26,280 0.979,281 0.565,282 0.53,283 0.53,284 4.186,288 1,289 1,290 977,291 2.828,295 444.887,299 296.47,302 2.256,303 23.989,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66.5,315 436,316 4.516,317 3.653,318 6.518,319 4.028,320 3.056,321 4.458,322 2.03,323 10.25,324 2.969,325 4.305,326 3.19,327 6.214,328 3.929,329 2.968,330 3.931,331 0.916,332 9.355,333 2.851,334 3.768,335 3.089,336 5.591,337 3.636,338 2.68,339 3.171,340 0.892,341 7.694,342 2.567,343 3.718,344 2.912,345 5.362,346 3.383,347 2.412,348 2.992,349 0.86,350 6.959,351 2.349,352 3.573,353 2.657,354 5.265,355 3.272,356 2.308,357 2.686,358 0.172,359 6.631,360 2.212,361 3.42,362 2.468,363 4.977,364 3.126,365 2.135,366 2.636,367 0.141,368 5.916,369 2.099,370 3.288,371 2.25,372 4.904,373 2.889,374 1.93,375 2.541,377 5.638,378 1.838,379 3.063,380 2.041,381 4.806,382 2.807,383 1.843,384 2.22,386 5.265,387 1.769,388 2.98,389 1.939,390 4.381,391 2.507,392 1.563,393 2.082,395 4.26,396 1.499,397 2.883,398 1.552,399 4.188,400 2.504,401 1.514,402 2.008,404 3.791,405 1.466,406 2.441,407 1.342,408 3.451,409 1.996,410 1.053,411 1.418,413 2.419,414 0.986,415 2.021,416 1.28,417 3.414,418 1.984,419 1,420 1,422 2.275,423 0.983,424 2,425 1.077,426 3.303,427 1.727,428 0.802,429 0.945,431 1.876,432 0.733,433 1.807,434 0.857,435 3.191,436 1.564,437 0.632,438 0.726,440 1.498,441 0.583,442 1.314,443 0.715,444 2.937,445 1.086,446 0.137,447 0.151,449 0.355,450 0.129,451 14.7,452 0.474,453 0.708,454 0.023,455 39.5,456 1.274,457 19,458 0.613,459 20.5,460 0.661,461 27.075,462 0.873,463 33.3,464 0.574,465 27.729,466 0.894,467 7.593,468 0.245,469 7.543,470 0.243,471 0.057,473 0.333,479 0.799,480 1.314,481 0.793,482 1.121,483 0.607,484 0.979,485 1.079,486 1.14,487 0.925,488 1.002,489 0.654,490 0.946,491 1.088,492 1.088,493 1.083,494 1.069,495 0.97,496 1.067,497 1,498 0.973,499 1,500 0.997,501 0.621,502 1.002,503 0.83,504 0.847,505 0.981,506 0.936,507 0.755,508 0.976,509 0.604,510 1.093,511 0.997,512 1.146,513 0.718,514 1.136,515 0.92,516 1.054,517 1.072,518 1.056,519 0.969,520 1.085,521 0.941,522 1.04,523 1.053,524 1.044,525 0.728,526 1.052,527 6.5,528 0.111,529 3.111,530 1.5,531 1.756,532 0.757,533 0.565,534 0.316,535 0.241,536 0.211,537 16137,538 38996,539 2.18,540 46.6,542 18,545 1,546 3,547 5,550 1.728,551 2.09,552 3.744,553 -0.393,555 1,559 85.775,560 1.479,561 3.598,562 4.879,563 5.293,564 5.328,565 5.328,566 3.229,567 4.761,568 4.929,569 3.955,570 1839.27,571 8.56,572 27889.1,574 1,577 339.763,578 1.215,579 4.907,580 0.186,581 0.005,582 0.063,583 0.031,584 0.044,585 0.021,586 0.017,587 0.01,588 0.008,589 0.009,590 0.394,591 0.33,592 0.88,593 0.415,594 165.248,595 -0.013,596 -0.15,597 0.074,598 -0.057,599 -0.009,600 0.009,601 -0.044,602 -0.039,603 0.017,604 -0.001,605 0.056,606 0.014,607 -0.001,608 -0.042,609 -0.111,610 -0.09,611 0.025,612 -0.109,613 -0.031,614 -0.026,615 -0.009,616 -0.014,617 0.035,618 -0.01,620 0.108,621 -0.005,622 0.055,623 -0.029,624 0.028,625 0.049,626 -0.128,627 -0.057,628 -0.13,629 -0.022,630 -0.115,631 -0.041,632 -0.09,633 -0.094,634 -0.073,635 -0.101,636 -0.092,637 -0.07,638 -0.062,639 -0.065,640 -0.084,641 -0.05,642 -0.071,643 1.762,644 4.553,645 0.839,646 33.684,647 0.998,648 1.123,649 2.417,650 5.842,651 0.664,652 3.584,653 3.912,654 4.174,655 4.443,656 4.718,657 4.736,658 4.812,659 4.963,660 5.063,661 5.069,662 8.302,663 0.63,664 417.55,665 3.584,666 5.13,667 5.979,668 6.853,669 7.715,670 8.59,671 9.456,672 10.332,673 11.199,674 12.075,675 5.2,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 58,716 18,717 2,718 35,720 62,721 25,722 15,723 6,724 6,730 5,731 7,736 1,740 2,741 1,743 2,745 16,746 9,747 1,750 1,755 1,759 1,761 1,764 27,765 6,766 1,767 6,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 31,833 7,834 1,835 2,837 1,838 1,847 5.2,850 1,852 2,854 14.833,855 10.65,856 6.667,857 3.615,858 3.455,859 1.414,860 1.005,861 5.796,862 11.792,863 3.818,864 4.407,865 4.958,866 5.534,867 6.107,868 6.323,869 6.59,870 6.925,871 7.166,872 6.937,873 1,874 49,875 11.5,877 4.938,878 7.586,879 22.506,881 19.049,883 2.086,884 64.667,886 1,887 1,888 306.049,889 133.814,890 37.921,892 47.145,895 133.814,896 353.193,897 37.921,898 8.825,899 38.582,900 75.81,901 46.635,902 49.027,904 306.049,906 306.049,907 171.734,908 47.145,911 247.193,912 106,915 55.432,916 99.517,917 16.786,919 306.049,920 85.065,921 133.814,924 306.049,925 49.179,926 87.759,927 18.011,928 63.93,929 306.049,930 85.065,931 133.814,933 0.584,934 0.335,935 0.183,936 0.107,937 25,938 10,939 0.081,940 5,941 2,942 1.154,943 4.452,944 277.255,945 0.154,946 26,947 147.58,951 20.289,952 8.856,953 4.68,954 2.063,955 85.065,956 16.274,957 4.594,961 4.657,963 18.011,964 524.928,965 44.5,970 11.553,974 -0.095,975 57.891,976 65.106,977 0.252,978 0.614,979 0.833,980 0.904,981 0.909,982 0.909,983 5.064,984 1.843,985 5.953,986 5.638,987 4.595,988 5.094,989 2.54,990 6.732,991 4.52,992 6.251,993 1.563,994 7.487,995 5.265,996 4.111,997 4.89,998 1.668,999 7.526,1000 4.019,1001 7.548,1002 1.514,1003 9.113,1004 4.26,1005 6.163,1006 7.269,1007 3.341,1008 10.601,1009 6.017,1010 8.874,1011 1.053,1012 10.794,1013 3.791,1014 6.463,1015 7.893,1016 3.22,1017 12.218,1018 6.295,1019 10.233,1020 1,1021 12.511,1022 2.419,1023 7.979,1024 9.77,1025 4.511,1026 14.802,1027 7.766,1028 11.613,1029 0.802,1030 14.252,1031 2.275,1032 8.668,1033 10.815,1034 4.754,1035 16.793,1036 8.426,1037 13.012,1038 0.632,1039 16.014,1040 1.876,1041 9.947,1042 12.474,1043 5.817,1044 19.199,1045 9.668,1046 3.056,1047 0.137,1048 17.791,1049 1.498,1050 10.838,1051 13.736,1052 6.249,1053 21.363,1054 10.527,1055 2.968,1056 10.25,1057 19.581,1058 0.355,1059 12.01,1060 15.296,1061 7.175,1062 23.703,1063 11.665,1064 2.68,1065 9.355,1066 21.382,1067 4.458,1068 13.004,1069 16.669,1070 7.714,1071 25.945,1072 12.626,1073 2.412,1074 7.694,1075 23.192,1076 3.931,1077 14.13,1078 18.184,1079 8.557,1080 28.262,1081 13.72,1082 2.308,1083 6.959,1084 25.01,1085 3.171,1086 15.177,1087 19.612,1088 9.16,1089 30.54,1090 14.733,1091 2.135,1092 6.631,1093 26.835,1094 2.992,1095 16.284,1096 21.108,1097 9.952,1098 32.851,1099 15.809,1100 1.93,1101 5.916,1102 28.666,1103 2.686,1104 17.357,1105 22.564,1106 10.594,1107 35.147,1108 16.85,1109 14704,1110 23022,1111 24.156,1112 38.517,1113 52.053,1114 53.823,1115 53.005,1116 51.987,1117 52.066,1118 65.93,1119 10.024,1120 148.361,1121 50.062,1122 5.516,1123 5.653,1124 6.055,1125 5.136,1126 5.056,1127 7.458,1128 3.634,1129 17.085,1130 4.969,1131 11.053,1132 1.487,1133 1.538,1134 1.514,1135 1.485,1136 1.488,1137 1.884,1138 0.286,1139 4.239,1140 1.43,1141 4.081,1142 4.107,1143 4.04,1144 4.002,1145 7.429,1146 4.008,1147 3.987,1148 4.019,1149 3.934,1150 3.888,1151 5.016,1152 3.894,1153 3.839,1154 3.89,1155 3.725,1156 3.702,1157 4.847,1158 3.698,1159 3.545,1160 3.587,1161 3.459,1162 3.425,1163 4.579,1164 3.419,1165 3.514,1166 3.554,1167 3.42,1168 3.318,1169 4.361,1170 3.345,1171 3.3,1172 3.359,1173 3.176,1174 3.09,1175 4.26,1176 3.102,1177 3.111,1178 3.206,1179 2.97,1180 2.955,1181 4.146,1182 2.945,1183 3.095,1184 3.163,1185 2.866,1186 2.941,1187 3.882,1188 2.91,1189 0.129,1190 0.104,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.653,1197 0.058,1198 6.518,1199 0.293,1200 4.028,1201 0.085,1202 3.056,1203 4.458,1204 2.03,1205 10.25,1206 2.969,1207 2.033,1208 2.012,1209 2.112,1210 2.127,1211 1.454,1212 2.123,1213 1.941,1214 1.913,1215 2.075,1216 2.075,1217 1.218,1218 2.075,1219 1.823,1220 1.772,1221 1.987,1222 1.986,1223 1.169,1224 1.988,1225 1.53,1226 1.485,1227 1.737,1228 1.698,1229 0.855,1230 1.702,1231 1.446,1232 1.409,1233 1.636,1234 1.659,1235 0.825,1236 1.665,1237 1.252,1238 1.191,1239 1.513,1240 1.494,1241 0.805,1242 1.501,1243 1.153,1244 1.064,1245 1.508,1246 1.376,1247 0.718,1248 1.429,1249 1.112,1250 1.043,1251 1.424,1252 1.304,1253 0.523,1254 1.35,1255 4.263,1257 5.587,1259 7.109,1261 8.721,1263 10.379,1265 2.009,1271 6.041,1272 2.889,1273 11.659,1275 0.557,1276 2.467,1280 36.53,1281 85.775,1282 208.704,1283 283.008,1284 307.008,1285 309.008,1286 309.008,1287 45.048,1288 8.337,1289 63.69,1290 63.69,1291 30,1292 12.615,1293 4.248,1294 3.392,1295 44.084,1296 160,1297 130,1298 0.134,1299 219.637,1300 382.17,1301 527.674,1302 60792,1304 21.209,1305 0.684,1306 0.573,1307 21.209,1308 17.765,1309 15.136,1310 0.432,1311 0.312,1312 10.766,1313 14.582,1314 10.506,1315 8.659,1316 15.136,1317 10.91,1318 13.85,1319 0.283,1320 0.173,1321 13.85,1322 8.473,1323 11.621,1324 0.182,1325 0.095,1326 11.621,1327 6.096,1328 9.806,1329 0.117,1330 0.052,1331 9.806,1332 4.36,1333 8.474,1334 0.076,1335 0.03,1336 8.474,1337 3.282,1338 0.219,1339 94.64,1340 0.203,1341 29.872,1342 0.343,1343 168,1344 456.83,1345 183.489,1346 435.839,1347 602.81,1348 412,1349 197,1350 445.729,1351 213.517,1352 450.234,1353 660.44,1354 424,1355 5.9} {0 CHEMBL485395,1 1.464,2 14.129,3 3.783,4 14.309,5 122.154,6 7.061,7 0.486,8 4.176,9 4.3,10 3.714,11 3.717,12 5.178,13 3.69,14 4.753,15 4.938,16 4.077,17 4.124,18 5.712,19 4.077,20 5.026,21 5.244,22 4.134,23 4.3,24 5.972,25 4.213,26 5.074,27 5.318,28 3.981,29 4.313,30 5.866,31 4.171,32 5.088,33 5.357,34 3.877,35 4.263,36 5.838,37 4.099,38 5.039,39 5.323,40 3.758,41 4.132,42 5.78,43 3.968,44 4.867,45 5.139,46 3.627,47 3.986,48 5.643,49 3.834,50 4.744,51 5.001,52 3.549,53 3.915,54 5.503,55 3.757,56 0.033,57 0.876,58 12.938,59 5.425,60 6.735,61 7.418,62 0.241,63 1.465,64 25.06,65 8.88,66 22.713,67 12.624,68 0.516,69 1.825,70 34.279,71 11.807,72 48.654,73 16.912,74 0.267,75 1.843,76 35.947,77 14.032,78 31.059,79 20.071,80 0.244,81 1.822,82 37.127,83 14.143,84 34.223,85 20.679,86 0.313,87 1.696,88 36.287,89 12.7,90 37.021,91 18.851,92 0.376,93 1.451,94 30.507,95 10.395,96 36.024,97 15.185,98 0.252,99 1.276,100 26.355,101 9.93,102 26.024,103 14.318,104 5,105 49,106 0.237,107 0.562,108 0.755,109 0.862,110 0.862,111 0.862,112 3.471,113 0.947,114 -3.65,115 -3.62,116 -3.44,119 42.4,120 1,121 2,125 6,140 8,141 2,142 3,144 2,156 1,169 9,172 8,174 1,176 1,178 10,181 2,182 7,184 1,186 2,189 8,192 1,193 6,197 2,199 6,203 8,208 1,211 2,215 8,222 1,225 1,226 4,229 1,233 2,236 1,237 2,244 4,248 1,249 3,256 6,259 1595,260 21.325,261 21.325,262 21.325,263 21.325,264 21.325,265 19.159,266 28.788,267 12.569,268 21.752,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.951,275 38.917,276 6.011,277 18.005,278 4.419,279 2.412,280 1.22,281 0.555,282 0.555,283 0.555,284 4.187,288 1,289 1,290 981,291 2.828,295 443.925,299 296.177,302 2.189,303 20.961,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 438,316 4.551,317 3.653,318 6.695,319 4.108,320 3.139,321 4.474,322 2.03,323 10.856,324 3.046,325 4.302,326 3.28,327 6.212,328 3.921,329 2.96,330 3.93,331 0.892,332 9.341,333 2.845,334 3.856,335 3.035,336 5.807,337 3.584,338 2.649,339 3.249,340 0.8,341 8.001,342 2.475,343 3.68,344 2.879,345 5.337,346 3.383,347 2.411,348 2.958,349 0.8,350 6.918,351 2.355,352 3.533,353 2.653,354 5.258,355 3.294,356 2.334,357 2.735,358 0.141,359 6.709,360 2.219,361 3.422,362 2.556,363 4.962,364 3.065,365 2.068,366 2.638,368 5.782,369 2.049,370 3.331,371 2.255,372 4.952,373 2.997,374 2.031,375 2.49,377 5.732,378 1.952,379 3.031,380 1.984,381 4.56,382 2.582,383 1.606,384 2.248,386 4.498,387 1.567,388 2.885,389 1.657,390 4.388,391 2.509,392 1.57,393 2.01,395 4.283,396 1.468,397 2.786,398 1.483,399 4.038,400 2.417,401 1.431,402 1.856,404 3.475,405 1.407,406 2.32,407 1.361,408 3.476,409 2.134,410 1.154,411 1.286,413 2.566,414 1.127,415 2.18,416 1.183,417 3.414,418 1.967,419 1,420 1.102,422 2.275,423 0.965,424 2,425 1.146,426 3.355,427 1.798,428 0.827,429 1,431 1.973,432 0.8,433 1.959,434 0.871,435 3.273,436 1.684,437 0.755,438 0.884,440 1.781,441 0.693,442 1.282,443 0.692,444 2.817,445 1.083,446 0.115,447 0.125,449 0.283,450 0.111,451 14.767,452 0.476,453 0.691,454 0.022,455 39.75,456 1.282,457 19,458 0.613,459 20.75,460 0.669,461 27.046,462 0.872,463 33.233,464 0.563,465 27.824,466 0.898,467 7.696,468 0.248,469 7.457,470 0.241,471 0.056,473 0.325,479 0.805,480 1.401,481 0.815,482 1.133,483 0.588,484 0.996,485 1.082,486 1.164,487 0.931,488 0.97,489 0.605,490 0.927,491 1.072,492 0.955,493 1.078,494 0.944,495 0.956,496 0.989,497 0.683,498 1.074,499 1.028,500 1.129,501 0.522,502 1.124,503 0.57,504 1.06,505 0.968,506 1.095,507 0.604,508 1.082,509 0.792,510 1.002,511 0.967,512 0.992,513 0.7,514 0.996,515 1.028,516 0.867,517 1.093,518 0.942,519 1.03,520 1.007,521 0.753,522 1.096,523 1.04,524 1.122,525 0.842,526 1.125,527 6,528 0.12,529 3.333,530 1.625,531 1.676,532 0.826,533 0.582,534 0.319,535 0.197,536 0.184,537 16161,538 37836,539 2.18,540 47.5,541 2,542 20,545 1,546 3,547 2,550 1.728,551 2.09,552 3.752,553 -0.393,555 1,559 86.374,560 1.464,561 3.47,562 4.663,563 5.327,564 5.327,565 5.327,566 3.205,567 4.543,568 4.929,569 3.956,570 1839.4,571 8.558,572 27915.1,574 1,577 347.076,578 1.215,579 4.907,580 0.171,581 0.005,582 0.068,583 0.032,584 0.04,585 0.022,586 0.018,587 0.011,588 0.008,589 0.008,590 0.384,591 0.5,592 0.88,593 0.415,594 165.293,595 -0.002,596 -0.21,597 0.078,598 -0.069,599 -0.004,601 -0.034,602 -0.034,603 0.027,604 0.017,605 0.07,606 0.03,607 0.011,608 0.119,609 -0.099,610 0.024,611 0.021,612 -0.035,613 -0.006,614 -0.093,615 -0.084,616 -0.113,617 0.023,618 -0.111,619 0.02,620 -0.112,621 -0.017,622 -0.092,623 0.014,624 -0.064,625 -0.02,626 -0.065,627 0.017,628 -0.024,629 -0.005,630 -0.002,631 -0.081,632 0.109,633 -0.098,634 0.011,635 -0.122,636 -0.037,637 0.032,638 -0.151,639 -0.075,640 -0.12,641 -0.064,642 -0.117,643 1.75,644 4.524,645 0.839,646 33.34,647 0.994,648 1.125,649 2.417,650 5.842,651 0.662,652 3.584,653 3.912,654 4.19,655 4.466,656 4.745,657 4.779,658 4.868,659 4.984,660 5.056,661 5.043,662 8.321,663 0.624,664 416.57,665 3.584,666 5.13,667 5.984,668 6.862,669 7.73,670 8.611,671 9.484,672 10.366,673 11.241,674 12.124,675 6.8,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 6,724 6,730 5,731 7,736 1,743 2,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 31,833 8,834 1,835 1,838 2,847 3.4,850 1,852 1,854 14.833,855 10.85,856 6.694,857 3.74,858 3.46,859 1.415,860 1.016,861 5.796,862 11.796,863 3.818,864 4.407,865 4.972,866 5.556,867 6.135,868 6.366,869 6.658,870 6.984,871 7.233,872 7.067,873 1,874 50,875 11.493,877 4.907,878 7.543,879 22.629,881 19.113,883 2.043,884 63.333,887 1,888 317.82,889 130.946,890 41.045,892 36.145,895 130.946,896 353.965,897 41.045,898 8.825,899 38.201,900 75.81,901 46.635,902 38.665,904 317.82,906 317.82,907 171.991,908 36.145,911 294.278,912 59.687,915 55.051,916 100.154,917 16.786,919 317.82,920 77.19,921 130.946,924 317.82,925 46.311,926 90.884,927 18.011,928 52.93,929 317.82,930 77.19,931 130.946,933 0.583,934 0.338,935 0.186,936 0.109,937 25,938 10,939 0.079,940 5,941 2,942 1.154,943 4.443,944 278.069,945 0.154,946 26,947 147.58,951 20.289,952 8.856,953 4.531,954 2.316,955 77.19,956 16.83,957 4.678,961 5.147,963 18.011,964 525.956,965 44.5,970 11.524,974 -0.084,975 58.665,976 66.394,977 0.249,978 0.59,979 0.793,980 0.906,981 0.906,982 0.906,983 5.064,984 1.606,985 5.958,986 5.732,987 4.595,988 5.094,989 2.452,990 6.751,991 4.52,992 6.251,993 1.57,994 7.501,995 4.498,996 4.111,997 4.89,998 1.738,999 7.591,1000 4.001,1001 7.55,1002 1.431,1003 9.139,1004 4.283,1005 6.172,1006 7.275,1007 3.301,1008 10.688,1009 6.019,1010 8.88,1011 1.154,1012 10.835,1013 3.475,1014 6.494,1015 7.909,1016 3.226,1017 12.378,1018 6.304,1019 10.244,1020 1,1021 12.571,1022 2.566,1023 8.011,1024 9.785,1025 4.5,1026 14.99,1027 7.785,1028 11.631,1029 0.827,1030 14.333,1031 2.275,1032 8.731,1033 10.838,1034 4.754,1035 17.056,1036 8.468,1037 13.038,1038 0.755,1039 16.117,1040 1.973,1041 10.014,1042 12.496,1043 5.815,1044 19.502,1045 9.718,1046 3.139,1047 0.115,1048 17.918,1049 1.781,1050 10.935,1051 13.766,1052 6.249,1053 21.735,1054 10.605,1055 2.96,1056 10.856,1057 19.733,1058 0.283,1059 12.116,1060 15.325,1061 7.175,1062 24.125,1063 11.755,1064 2.649,1065 9.341,1066 21.559,1067 4.474,1068 13.139,1069 16.703,1070 7.714,1071 26.433,1072 12.746,1073 2.411,1074 8.001,1075 23.395,1076 3.93,1077 14.28,1078 18.219,1079 8.557,1080 28.807,1081 13.856,1082 2.334,1083 6.918,1084 25.239,1085 3.249,1086 15.353,1087 19.652,1088 9.16,1089 31.149,1090 14.898,1091 2.068,1092 6.709,1093 27.09,1094 2.958,1095 16.479,1096 21.15,1097 9.952,1098 33.52,1099 15.995,1100 2.031,1101 5.782,1102 28.947,1103 2.735,1104 17.577,1105 22.61,1106 10.594,1107 35.879,1108 17.064,1109 14725,1110 22700,1111 24.156,1112 39.069,1113 52.089,1114 53.479,1115 53.086,1116 52.079,1117 52.1,1118 65.967,1119 9.327,1120 148.95,1121 50.158,1122 5.551,1123 5.653,1124 6.246,1125 5.216,1126 5.139,1127 7.474,1128 3.634,1129 18.031,1130 5.046,1131 11.051,1132 1.488,1133 1.528,1134 1.517,1135 1.488,1136 1.489,1137 1.885,1138 0.266,1139 4.256,1140 1.433,1141 4.095,1142 4.129,1143 4.053,1144 4.015,1145 7.429,1146 4.021,1147 3.98,1148 4.006,1149 3.929,1150 3.889,1151 4.984,1152 3.893,1153 3.803,1154 3.872,1155 3.694,1156 3.615,1157 4.845,1158 3.625,1159 3.587,1160 3.637,1161 3.487,1162 3.433,1163 4.444,1164 3.432,1165 3.507,1166 3.556,1167 3.407,1168 3.369,1169 4.324,1170 3.375,1171 3.376,1172 3.432,1173 3.237,1174 3.204,1175 4.259,1176 3.209,1177 3.111,1178 3.206,1179 2.972,1180 2.957,1181 3.975,1182 2.947,1183 3.097,1184 3.169,1185 2.866,1186 2.941,1187 3.884,1188 2.91,1189 0.13,1190 0.104,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.653,1197 0.058,1198 6.695,1199 0.31,1200 4.108,1201 0.087,1202 3.139,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.021,1209 2.128,1210 2.147,1211 1.37,1212 2.144,1213 1.94,1214 1.916,1215 2.057,1216 2.06,1217 1.271,1218 2.057,1219 1.76,1220 1.692,1221 1.952,1222 1.97,1223 1.17,1224 1.969,1225 1.554,1226 1.503,1227 1.773,1228 1.756,1229 0.999,1230 1.763,1231 1.496,1232 1.447,1233 1.719,1234 1.654,1235 0.825,1236 1.677,1237 1.347,1238 1.297,1239 1.566,1240 1.555,1241 0.808,1242 1.567,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.73,1248 1.429,1249 1.114,1250 1.043,1251 1.425,1252 1.305,1253 0.517,1254 1.35,1255 4.263,1257 5.587,1259 7.114,1261 8.734,1263 10.402,1265 2.041,1271 7.512,1272 2.892,1273 5.441,1276 5.037,1280 36.837,1281 86.374,1282 204.756,1283 275.102,1284 314.321,1285 314.321,1286 314.321,1287 41.957,1288 8.336,1289 57.7,1290 57.7,1291 30,1292 12.659,1293 4.248,1294 3.392,1295 44.124,1296 159,1297 129,1298 0.133,1299 222.435,1300 384.38,1301 534.502,1302 60719,1304 21.209,1305 0.684,1306 0.579,1307 21.209,1308 17.934,1309 15.153,1310 0.433,1311 0.316,1312 10.909,1313 14.623,1314 10.652,1315 8.765,1316 15.153,1317 11.049,1318 13.766,1319 0.281,1320 0.171,1321 13.766,1322 8.396,1323 11.671,1324 0.18,1325 0.095,1326 11.671,1327 6.178,1328 9.921,1329 0.115,1330 0.053,1331 9.921,1332 4.521,1333 8.544,1334 0.075,1335 0.029,1336 8.544,1337 3.306,1338 0.219,1339 94.407,1340 0.203,1341 29.879,1342 0.341,1343 168,1344 432.739,1345 182.361,1346 418.525,1347 583.95,1348 396,1349 198,1350 437.091,1351 213.416,1352 442.33,1353 649.72,1354 418,1355 8} {0 CHEMBL485427,1 1.479,2 14.065,3 3.301,4 10.899,5 118.989,6 7.199,7 0.486,8 4.164,9 4.277,10 3.716,11 3.708,12 5.185,13 3.687,14 4.74,15 4.908,16 4.086,17 4.11,18 5.731,19 4.071,20 5.024,21 5.228,22 4.133,23 4.257,24 6.008,25 4.185,26 5.04,27 5.274,28 3.953,29 4.231,30 5.885,31 4.104,32 4.987,33 5.246,34 3.852,35 4.182,36 5.763,37 4.039,38 4.942,39 5.186,40 3.821,41 4.137,42 5.753,43 3.998,44 4.937,45 5.189,46 3.71,47 4.062,48 5.745,49 3.913,50 4.816,51 5.092,52 3.606,53 3.909,54 5.593,55 3.761,56 0.017,57 0.828,58 12.408,59 5.525,60 7.067,61 7.215,62 0.208,63 1.385,64 24.267,65 9.229,66 23.746,67 12.398,68 0.533,69 1.727,70 34.386,71 11.945,72 55.294,73 16.206,74 0.424,75 1.691,76 35.443,77 13.406,78 41.376,79 18.513,80 0.249,81 1.626,82 33.656,83 13.014,84 34.718,85 18.521,86 0.266,87 1.562,88 31.896,89 12.336,90 34.713,91 17.293,92 0.399,93 1.53,94 32.576,95 11.56,96 43.28,97 16.359,98 0.328,99 1.372,100 29.114,101 10.058,102 35.947,103 14.732,104 5,105 49,106 0.24,107 0.576,108 0.777,109 0.859,110 0.865,111 0.865,112 3.471,113 0.938,114 -3.65,115 -3.62,116 -3.44,119 43.1,120 1,121 3,125 4,127 1,140 8,141 2,142 3,144 2,156 1,169 8,172 12,174 1,176 1,178 10,181 1,182 7,184 1,186 2,189 6,192 2,193 7,197 2,199 11,203 4,211 8,215 8,218 1,222 9,225 1,226 3,233 2,236 2,237 4,242 2,244 4,249 3,256 4,259 1556,260 21.273,261 21.273,262 21.273,263 21.273,264 21.273,265 19.082,266 27.836,267 12.523,268 21.704,269 17.319,270 17.319,271 17.319,272 17.319,273 17.319,274 13.939,275 36.607,276 6.023,277 18.04,278 4.379,279 2.307,280 1.074,281 0.565,282 0.53,283 0.53,284 4.186,288 1,289 1,290 977,291 2.828,295 444.679,299 296.462,302 2.256,303 24.377,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66.5,315 436,316 4.519,317 3.653,318 6.526,319 4.036,320 3.067,321 4.459,322 2.03,323 10.291,324 2.973,325 4.302,326 3.244,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.771,335 3.042,336 5.556,337 3.6,338 2.661,339 3.181,340 0.86,341 7.555,342 2.494,343 3.693,344 2.913,345 5.362,346 3.378,347 2.411,348 2.963,349 0.8,350 6.964,351 2.342,352 3.584,353 2.704,354 5.233,355 3.273,356 2.308,357 2.698,358 0.141,359 6.602,360 2.209,361 3.421,362 2.519,363 5.047,364 3.098,365 2.126,366 2.641,368 6.071,369 2.066,370 3.304,371 2.355,372 4.951,373 2.991,374 2.022,375 2.546,377 5.773,378 1.929,379 3.093,380 1.98,381 4.77,382 2.759,383 1.789,384 2.237,386 5.141,387 1.729,388 2.959,389 1.92,390 4.387,391 2.507,392 1.568,393 2.081,395 4.278,396 1.491,397 2.884,398 1.534,399 4.161,400 2.495,401 1.502,402 2.01,404 3.734,405 1.467,406 2.392,407 1.349,408 3.414,409 1.984,410 1,411 1.347,413 2.275,414 0.983,415 2.072,416 1.077,417 3.414,418 1.934,419 0.97,420 1.011,422 2.261,423 0.93,424 2,425 1.072,426 3.335,427 1.824,428 0.873,429 1,431 2.019,432 0.823,433 1.772,434 0.899,435 3.216,436 1.587,437 0.646,438 0.712,440 1.549,441 0.603,442 1.342,443 0.661,444 2.906,445 1.066,446 0.134,447 0.152,449 0.343,450 0.124,451 14.7,452 0.474,453 0.708,454 0.023,455 39.5,456 1.274,457 19,458 0.613,459 20.5,460 0.661,461 27.142,462 0.876,463 33.3,464 0.574,465 27.676,466 0.893,467 7.584,468 0.245,469 7.553,470 0.244,471 0.057,473 0.333,479 0.799,480 1.314,481 0.793,482 1.121,483 0.613,484 0.979,485 1.059,486 1.172,487 0.914,488 1.036,489 0.643,490 0.961,491 1.282,492 0.982,493 1.099,494 0.968,495 1.046,496 0.992,497 0.933,498 1.003,499 1.045,500 1.054,501 0.628,502 1.071,503 0.626,504 0.964,505 0.913,506 1.005,507 0.642,508 1.001,509 0.748,510 1.053,511 1.012,512 1.102,513 0.74,514 1.1,515 1.013,516 1.072,517 1.136,518 1.061,519 1.039,520 1.111,521 0.713,522 0.965,523 0.965,524 0.983,525 0.764,526 0.997,527 6.5,528 0.132,529 3.111,530 1.375,531 1.916,532 0.757,533 0.441,534 0.411,535 0.266,536 0.143,537 16137,538 39000,539 2.18,540 46.6,542 17,545 1,546 3,547 2,548 4,550 1.728,551 2.09,552 3.747,553 -0.393,555 1,559 85.775,560 1.479,561 3.551,562 4.784,563 5.293,564 5.328,565 5.328,566 3.229,567 4.761,568 4.929,569 3.956,570 1839.45,571 8.56,572 27887.6,574 1,576 1,577 339.763,578 1.215,579 4.907,580 0.186,581 0.006,582 0.063,583 0.028,584 0.048,585 0.02,586 0.013,587 0.014,588 0.01,589 0.006,590 0.393,591 0.33,592 0.88,593 0.415,594 165.247,595 -0.013,596 -0.15,597 0.074,598 -0.057,599 -0.016,600 0.009,601 -0.023,602 -0.073,603 0.028,604 -0.035,605 0.067,606 -0.001,607 -0.055,608 0.058,609 -0.106,610 -0.002,611 -0.007,612 -0.047,613 0.002,614 -0.045,615 -0.071,616 -0.055,617 0.026,618 -0.074,619 0.011,620 -0.012,621 0.041,623 0.016,624 0.022,625 -0.006,626 -0.089,627 -0.056,628 -0.1,629 -0.03,630 -0.09,631 -0.08,632 -0.108,633 -0.148,634 -0.09,635 -0.152,636 -0.127,637 0.058,638 0.012,639 0.024,640 -0.031,642 -0.011,643 1.76,644 4.532,645 0.839,646 33.607,647 0.998,648 1.123,649 2.417,650 5.842,651 0.664,652 3.584,653 3.912,654 4.174,655 4.443,656 4.727,657 4.745,658 4.804,659 4.977,660 5.075,661 5.024,662 8.304,663 0.63,664 417.55,665 3.584,666 5.13,667 5.979,668 6.853,669 7.716,670 8.591,671 9.458,672 10.334,673 11.202,674 12.079,675 5.2,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 58,716 18,717 2,718 35,720 62,721 25,722 15,723 6,724 6,730 5,731 7,736 1,740 3,743 4,745 16,746 9,750 1,755 1,759 1,761 1,764 27,765 6,766 1,767 6,773 3,777 0.6,778 3,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 31,833 7,834 1,835 2,837 1,838 1,847 5.2,850 1,852 2,854 14.833,855 10.65,856 6.667,857 3.671,858 3.457,859 1.415,860 1.009,861 5.796,862 11.794,863 3.818,864 4.407,865 4.958,866 5.534,867 6.112,868 6.331,869 6.591,870 6.943,871 7.197,872 6.959,873 1,874 49,875 11.504,877 4.943,878 7.586,879 22.506,881 19.035,883 2.086,884 64.667,886 1,887 1,888 306.049,889 131.756,890 37.921,892 47.145,895 131.756,896 353.193,897 37.921,898 8.825,899 36.524,900 75.81,901 46.635,902 49.027,904 306.049,906 306.049,907 169.677,908 47.145,911 235.422,912 117.771,915 53.374,916 99.517,917 16.786,919 306.049,920 85.065,921 131.756,924 306.049,925 47.121,926 87.759,927 18.011,928 63.93,929 306.049,930 85.065,931 131.756,933 0.584,934 0.335,935 0.182,936 0.108,937 25,938 10,939 0.081,940 5,941 2,942 1.154,943 4.451,944 277.385,945 0.154,946 26,947 147.58,951 20.289,952 8.856,953 4.68,954 2.07,955 85.065,956 16.307,957 4.606,961 4.691,963 18.011,964 522.87,965 44.5,970 11.532,974 -0.094,975 57.891,976 65.106,977 0.252,978 0.606,979 0.817,980 0.904,981 0.909,982 0.909,983 5.064,984 1.789,985 5.953,986 5.773,987 4.595,988 5.094,989 2.496,990 6.732,991 4.515,992 6.251,993 1.568,994 7.487,995 5.141,996 4.111,997 4.89,998 1.668,999 7.526,1000 3.997,1001 7.548,1002 1.502,1003 9.113,1004 4.278,1005 6.163,1006 7.269,1007 3.324,1008 10.602,1009 6.004,1010 8.874,1011 1,1012 10.794,1013 3.734,1014 6.463,1015 7.893,1016 3.213,1017 12.22,1018 6.267,1019 10.233,1020 0.97,1021 12.511,1022 2.275,1023 7.979,1024 9.77,1025 4.506,1026 14.806,1027 7.745,1028 11.613,1029 0.873,1030 14.253,1031 2.261,1032 8.668,1033 10.815,1034 4.752,1035 16.799,1036 8.395,1037 13.012,1038 0.646,1039 16.014,1040 2.019,1041 9.947,1042 12.474,1043 5.816,1044 19.209,1045 9.641,1046 3.067,1047 0.134,1048 17.792,1049 1.549,1050 10.839,1051 13.737,1052 6.248,1053 21.376,1054 10.496,1055 2.961,1056 10.291,1057 19.582,1058 0.343,1059 12.012,1060 15.296,1061 7.175,1062 23.721,1063 11.637,1064 2.661,1065 9.342,1066 21.383,1067 4.459,1068 13.008,1069 16.67,1070 7.714,1071 25.967,1072 12.597,1073 2.411,1074 7.555,1075 23.194,1076 3.93,1077 14.135,1078 18.185,1079 8.557,1080 28.29,1081 13.694,1082 2.308,1083 6.964,1084 25.013,1085 3.181,1086 15.183,1087 19.613,1088 9.16,1089 30.572,1090 14.708,1091 2.126,1092 6.602,1093 26.839,1094 2.963,1095 16.293,1096 21.109,1097 9.952,1098 32.888,1099 15.787,1100 2.022,1101 6.071,1102 28.671,1103 2.698,1104 17.368,1105 22.565,1106 10.594,1107 35.188,1108 16.829,1109 14704,1110 23024,1111 24.156,1112 38.517,1113 52.074,1114 53.626,1115 52.981,1116 52.026,1117 52.076,1118 65.935,1119 9.447,1120 148.4,1121 50.016,1122 5.519,1123 5.653,1124 6.053,1125 5.144,1126 5.067,1127 7.459,1128 3.634,1129 17.174,1130 4.973,1131 11.053,1132 1.488,1133 1.532,1134 1.514,1135 1.486,1136 1.488,1137 1.884,1138 0.27,1139 4.24,1140 1.429,1141 4.083,1142 4.108,1143 4.042,1144 4.003,1145 7.429,1146 4.009,1147 3.982,1148 4.011,1149 3.931,1150 3.889,1151 5.016,1152 3.893,1153 3.832,1154 3.888,1155 3.719,1156 3.672,1157 4.845,1158 3.674,1159 3.56,1160 3.6,1161 3.47,1162 3.423,1163 4.588,1164 3.417,1165 3.515,1166 3.562,1167 3.417,1168 3.351,1169 4.344,1170 3.37,1171 3.317,1172 3.374,1173 3.188,1174 3.139,1175 4.274,1176 3.142,1177 3.111,1178 3.206,1179 2.971,1180 2.958,1181 4.109,1182 2.948,1183 3.097,1184 3.164,1185 2.866,1186 2.941,1187 3.883,1188 2.91,1189 0.129,1190 0.104,1191 0.186,1192 0.115,1193 0.088,1194 4.519,1195 0.127,1196 3.653,1197 0.058,1198 6.526,1199 0.294,1200 4.036,1201 0.085,1202 3.067,1203 4.459,1204 2.03,1205 10.291,1206 2.973,1207 2.034,1208 2.013,1209 2.112,1210 2.129,1211 1.406,1212 2.125,1213 1.94,1214 1.915,1215 2.062,1216 2.065,1217 1.228,1218 2.064,1219 1.803,1220 1.747,1221 1.987,1222 1.987,1223 1.204,1224 1.988,1225 1.528,1226 1.484,1227 1.736,1228 1.719,1229 0.926,1230 1.717,1231 1.483,1232 1.441,1233 1.696,1234 1.661,1235 0.825,1236 1.682,1237 1.288,1238 1.233,1239 1.527,1240 1.501,1241 0.806,1242 1.514,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.703,1248 1.429,1249 1.114,1250 1.045,1251 1.425,1252 1.305,1253 0.489,1254 1.35,1255 4.263,1257 5.587,1259 7.109,1261 8.721,1263 10.379,1265 2.011,1271 6.127,1272 2.884,1273 11.809,1275 0.235,1276 2.488,1280 36.53,1281 85.775,1282 205.949,1283 277.498,1284 307.008,1285 309.008,1286 309.008,1287 45.269,1288 8.337,1289 63.69,1290 63.69,1291 30,1292 12.619,1293 4.248,1294 3.392,1295 44.09,1296 160,1297 128,1298 0.134,1299 219.637,1300 382.17,1301 527.674,1302 60790,1304 21.209,1305 0.684,1306 0.573,1307 21.209,1308 17.765,1309 15.136,1310 0.432,1311 0.313,1312 10.808,1313 14.583,1314 10.566,1315 8.68,1316 15.136,1317 10.949,1318 13.85,1319 0.283,1320 0.17,1321 13.85,1322 8.352,1323 11.628,1324 0.182,1325 0.095,1326 11.628,1327 6.053,1328 9.767,1329 0.116,1330 0.052,1331 9.767,1332 4.335,1333 8.514,1334 0.076,1335 0.029,1336 8.514,1337 3.246,1338 0.219,1339 94.548,1340 0.203,1341 29.873,1342 0.343,1343 168,1344 456.83,1345 184.154,1346 435.567,1347 604.41,1348 412,1349 197,1350 450.638,1351 213.682,1352 452.543,1353 664.65,1354 428,1355 8.2} {0 CHEMBL485491,1 1.591,2 13.355,3 3.532,4 12.475,5 117.77,6 7.509,7 0.486,8 4.139,9 4.257,10 3.722,11 3.671,12 5.204,13 3.661,14 4.712,15 4.89,16 4.104,17 4.077,18 5.767,19 4.053,20 4.983,21 5.189,22 4.164,23 4.254,24 6.029,25 4.192,26 5.031,27 5.263,28 4.049,29 4.267,30 5.953,31 4.148,32 5.055,33 5.32,34 3.982,35 4.211,36 5.926,37 4.087,38 4.984,39 5.238,40 3.897,41 4.09,42 5.973,43 3.983,44 4.87,45 5.125,46 3.677,47 3.948,48 5.848,49 3.823,50 4.701,51 4.968,52 3.557,53 3.825,54 5.501,55 3.69,56 0.034,57 0.907,58 11.29,59 5.115,60 5.9,61 6.586,62 0.264,63 1.497,64 22.792,65 8.34,66 24.657,67 11.208,68 0.594,69 1.871,70 31.86,71 11.076,72 56.153,73 14.839,74 0.407,75 1.895,76 33.878,77 13.336,78 42.499,79 18.625,80 0.336,81 1.891,82 36.448,83 13.348,84 43.363,85 18.952,86 0.488,87 1.865,88 34.572,89 11.956,90 64.82,91 15.98,92 0.677,93 1.632,94 31.553,95 10.304,96 76.04,97 13.709,98 0.313,99 1.235,100 25.727,101 8.98,102 33.584,103 13.06,104 10,105 50,106 0.26,107 0.592,108 0.758,109 0.859,110 0.859,111 0.859,112 3.471,113 0.913,114 -3.81,115 -3.77,116 -3.58,119 42.9,120 1,121 1,125 6,140 7,141 2,142 4,144 2,156 1,169 6,172 8,174 1,176 1,178 9,181 2,182 5,184 1,186 2,189 5,192 1,193 7,197 2,199 4,203 7,215 5,218 1,222 1,225 2,226 4,233 2,236 1,237 1,244 3,249 2,252 1,256 7,259 1508,260 21.066,261 21.066,262 21.066,263 21.066,264 21.066,265 18.875,266 28.584,267 12.272,268 21.555,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.87,275 38.257,276 5.907,277 18.118,278 4.217,279 2.186,280 1.172,281 0.549,282 0.549,283 0.549,284 4.184,288 1,289 1,290 925,291 2.739,295 430.197,299 288.029,302 2.062,303 30.585,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 414,316 4.581,317 3.653,318 6.715,319 4.137,320 3.169,321 4.509,322 2.03,323 10.948,324 3.068,325 4.302,326 3.329,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.86,335 3.042,336 5.817,337 3.59,338 2.656,339 3.282,340 0.8,341 8.044,342 2.481,343 3.693,344 2.925,345 5.382,346 3.4,347 2.436,348 2.966,349 0.8,350 7.049,351 2.357,352 3.611,353 2.716,354 5.207,355 3.275,356 2.307,357 2.949,358 0.141,359 6.565,360 2.214,361 3.475,362 2.668,363 5.027,364 3.138,365 2.196,366 2.657,368 6.046,369 2.069,370 3.39,371 2.496,372 4.956,373 3.031,374 2.042,375 2.625,377 5.778,378 1.989,379 3.276,380 2.2,381 4.948,382 2.904,383 1.945,384 2.445,386 5.633,387 1.852,388 2.886,389 1.977,390 4.554,391 2.513,392 1.572,393 2.01,395 4.478,396 1.479,397 2.873,398 1.633,399 4.386,400 2.498,401 1.541,402 1.961,404 4.276,405 1.465,406 2.338,407 1.348,408 3.728,409 1.967,410 1,411 1.29,413 2.528,414 0.965,415 2.061,416 1.146,417 3.414,418 1.962,419 0.994,420 1,422 2.275,423 0.958,424 2,425 1.112,426 3.332,427 1.787,428 0.845,429 0.993,431 1.987,432 0.788,433 1.731,434 0.861,435 3.201,436 1.551,437 0.601,438 0.664,440 1.464,441 0.567,442 1.263,443 0.637,444 2.824,445 0.882,446 -0.081,447 -0.099,449 -0.202,450 -0.076,451 14.552,452 0.469,453 0.797,454 0.026,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 26.781,462 0.864,463 33.448,464 0.597,465 29.506,466 0.952,467 7.9,468 0.255,469 7.147,470 0.231,471 0.077,473 0.364,477 1,479 0.69,480 1.255,481 0.74,482 1.118,483 0.524,484 0.97,485 0.899,486 1.076,487 0.853,488 0.946,489 0.531,490 0.889,491 1.026,492 0.935,493 1.091,494 0.943,495 0.924,496 0.999,497 0.524,498 0.975,499 0.949,500 1.165,501 0.475,502 1.156,503 0.633,504 1.005,505 0.865,506 1.023,507 0.634,508 0.994,509 1.194,510 1.182,511 1.107,512 1.066,513 1.271,514 1.067,515 1.379,516 1.04,517 1.303,518 1.015,519 1.604,520 1.119,521 0.597,522 0.885,523 0.932,524 1.015,525 0.544,526 1.033,527 7,528 0.161,529 3.333,530 1.688,531 2.187,532 1.021,533 0.602,534 0.434,535 0.23,536 0.164,537 15277,538 40584,539 2.16,540 44.6,542 19,545 1,546 3,547 2,550 1.73,551 2.044,552 3.661,553 -0.361,555 1,559 89.076,560 1.591,561 3.622,562 4.635,563 5.258,564 5.258,565 5.258,566 3.079,567 4.696,568 4.929,569 3.871,570 1800.18,571 8.57,572 26652.1,574 1,576 1,577 325.212,578 1.332,579 4.896,580 0.2,581 0.007,582 0.067,583 0.033,584 0.05,585 0.025,586 0.017,587 0.016,588 0.009,589 0.007,590 0.429,591 0.5,592 0.88,593 0.486,594 163.8,595 -0.026,596 -0.182,597 0.066,598 -0.072,599 -0.018,600 -0.002,601 -0.051,602 -0.057,603 0.046,604 0.028,605 0.061,606 0.054,607 -0.059,608 0.089,609 -0.147,610 0.019,611 -0.046,612 -0.056,613 0.118,614 -0.077,615 -0.026,616 -0.15,617 0.084,618 -0.132,619 0.032,620 -0.112,621 0.099,622 -0.031,623 0.04,624 0.033,625 -0.101,626 -0.079,627 -0.087,628 -0.082,629 -0.091,630 -0.081,631 -0.127,632 0.111,633 -0.26,634 -0.045,635 -0.224,636 -0.155,637 0.043,638 -0.079,639 0.031,640 -0.05,641 0.012,642 -0.019,643 1.911,644 6.201,645 0.839,646 31.956,647 1.005,648 1.131,649 2.582,650 6.664,651 0.665,652 3.584,653 3.932,654 4.205,655 4.5,656 4.804,657 4.86,658 4.934,659 5.1,660 5.165,661 5.147,662 7.89,663 0.637,664 420.53,665 3.584,666 5.142,667 5.999,668 6.887,669 7.76,670 8.65,671 9.529,672 10.42,673 11.302,674 12.193,675 7.1,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 56,716 18,717 2,718 35,720 60,721 24,722 15,723 7,724 5,730 5,731 7,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,762 1,764 25,765 7,766 1,767 7,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 31,833 7,834 1,835 1,838 2,846 1,847 3.6,850 1,852 1,854 15.167,855 10.41,856 6.611,857 3.47,858 3.487,859 1.416,860 1.022,861 5.512,862 11.864,863 3.818,864 4.431,865 4.996,866 5.599,867 6.2,868 6.468,869 6.741,870 7.108,871 7.331,872 7.21,873 0.889,874 51,875 11.527,877 5.018,878 7.742,879 22.234,881 18.816,883 2.242,884 69.5,886 1,887 1,888 282.506,889 128.056,890 41.045,892 36.145,893 14.96,895 128.056,896 318.651,897 56.005,898 8.825,899 35.666,900 66.334,901 46.635,902 47.786,903 14.96,904 282.506,906 282.506,907 169.101,908 51.105,911 273.924,912 59.687,915 52.517,916 99.799,917 16.786,919 297.467,920 77.19,921 128.056,924 282.506,925 52.897,926 81.408,927 18.011,928 67.89,929 282.506,930 92.15,931 128.056,933 0.589,934 0.338,935 0.187,936 0.114,937 26,938 11,939 0.067,940 4,941 2,942 1.154,943 4.352,944 284.128,945 0.154,946 26,947 147.58,951 20.228,952 8.447,953 4.365,954 1.708,955 92.15,956 13.125,957 4.493,961 4.218,963 18.011,964 502.713,965 44.5,970 11.533,974 -0.115,975 56.294,976 63.319,977 0.274,978 0.624,979 0.798,980 0.905,981 0.905,982 0.905,983 5.077,984 1.945,985 5.989,986 5.778,987 4.615,988 5.118,989 2.452,990 6.795,991 4.528,992 6.279,993 1.572,994 7.541,995 5.633,996 4.205,997 4.987,998 1.738,999 7.644,1000 4.075,1001 7.589,1002 1.541,1003 9.185,1004 4.478,1005 6.209,1006 7.32,1007 3.301,1008 10.741,1009 6.041,1010 8.928,1011 1,1012 10.884,1013 4.276,1014 6.567,1015 7.987,1016 3.226,1017 12.418,1018 6.359,1019 10.297,1020 0.994,1021 12.619,1022 2.528,1023 8.057,1024 9.838,1025 4.5,1026 15.043,1027 7.815,1028 11.688,1029 0.845,1030 14.38,1031 2.275,1032 8.794,1033 10.907,1034 4.754,1035 17.102,1036 8.515,1037 13.096,1038 0.601,1039 16.162,1040 1.987,1041 10.066,1042 12.555,1043 5.815,1044 19.561,1045 9.755,1046 3.169,1047 -0.081,1048 17.961,1049 1.464,1050 11,1051 13.836,1052 6.249,1053 21.796,1054 10.654,1055 2.961,1056 10.948,1057 19.774,1058 -0.202,1059 12.179,1060 15.394,1061 7.175,1062 24.197,1063 11.802,1064 2.656,1065 9.342,1066 21.598,1067 4.509,1068 13.212,1069 16.782,1070 7.714,1071 26.511,1072 12.802,1073 2.436,1074 8.044,1075 23.433,1076 3.93,1077 14.356,1078 18.301,1079 8.557,1080 28.895,1081 13.915,1082 2.307,1083 7.049,1084 25.277,1085 3.282,1086 15.438,1087 19.744,1088 9.16,1089 31.245,1090 14.966,1091 2.196,1092 6.565,1093 27.128,1094 2.966,1095 16.57,1096 21.247,1097 9.952,1098 33.626,1099 16.068,1100 2.042,1101 6.046,1102 28.986,1103 2.949,1104 17.678,1105 22.717,1106 10.594,1107 35.994,1108 17.145,1109 13994,1110 22962,1111 23.868,1112 37.245,1113 52.555,1114 54.17,1115 53.758,1116 52.552,1117 52.527,1118 66.562,1119 9.327,1120 152.825,1121 50.196,1122 5.581,1123 5.653,1124 6.129,1125 5.244,1126 5.169,1127 7.509,1128 3.634,1129 18.171,1130 5.068,1131 13.245,1132 1.502,1133 1.548,1134 1.536,1135 1.501,1136 1.501,1137 1.902,1138 0.266,1139 4.366,1140 1.434,1141 4.1,1142 4.132,1143 4.065,1144 4.015,1145 8.201,1146 4.023,1147 3.979,1148 4.005,1149 3.929,1150 3.886,1151 7.429,1152 3.891,1153 3.79,1154 3.858,1155 3.683,1156 3.599,1157 4.949,1158 3.609,1159 3.56,1160 3.605,1161 3.476,1162 3.417,1163 4.845,1164 3.42,1165 3.51,1166 3.552,1167 3.429,1168 3.33,1169 4.411,1170 3.351,1171 3.284,1172 3.349,1173 3.161,1174 3.109,1175 4.294,1176 3.111,1177 3.111,1178 3.206,1179 2.965,1180 2.948,1181 4.17,1182 2.939,1183 3.096,1184 3.168,1185 2.866,1186 2.941,1187 3.928,1188 2.91,1189 0.131,1190 0.104,1191 0.192,1192 0.118,1193 0.091,1194 4.581,1195 0.129,1196 3.653,1197 0.058,1198 6.715,1199 0.313,1200 4.137,1201 0.088,1202 3.169,1203 4.509,1204 2.03,1205 10.948,1206 3.068,1207 2.044,1208 2.019,1209 2.116,1210 2.147,1211 1.357,1212 2.14,1213 1.938,1214 1.913,1215 2.048,1216 2.06,1217 1.238,1218 2.055,1219 1.744,1220 1.676,1221 1.934,1222 1.956,1223 1.149,1224 1.953,1225 1.521,1226 1.476,1227 1.717,1228 1.715,1229 0.904,1230 1.713,1231 1.458,1232 1.417,1233 1.667,1234 1.648,1235 0.825,1236 1.658,1237 1.262,1238 1.201,1239 1.513,1240 1.473,1241 0.794,1242 1.49,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.692,1248 1.429,1249 1.101,1250 1.032,1251 1.396,1252 1.305,1253 0.449,1254 1.339,1255 4.263,1257 5.602,1259 7.138,1261 8.766,1263 10.444,1265 1.923,1267 14.201,1271 5.444,1272 2.865,1273 5.425,1276 4.68,1280 35.693,1281 89.076,1282 202.812,1283 259.586,1284 294.457,1285 294.457,1286 294.457,1287 49.845,1288 8.377,1289 57.7,1290 57.7,1291 30,1292 12.723,1293 4.248,1294 3.392,1295 44.013,1296 152,1297 126,1298 0.142,1299 214.041,1300 373.15,1301 514.02,1302 61013,1303 1.8,1304 21.372,1305 0.689,1306 0.565,1307 20.501,1308 17.527,1309 15.047,1310 0.43,1311 0.304,1312 10.484,1313 14.399,1314 10.254,1315 8.4,1316 14.653,1317 10.648,1318 14.058,1319 0.281,1320 0.164,1321 13.413,1322 8.19,1323 11.697,1324 0.177,1325 0.091,1326 11.43,1327 5.996,1328 10.016,1329 0.113,1330 0.049,1331 9.697,1332 4.331,1333 8.811,1334 0.073,1335 0.027,1336 8.473,1337 3.23,1338 0.23,1339 94.636,1340 0.205,1341 29.595,1342 0.371,1343 170,1344 522.85,1345 188.192,1346 476.586,1347 649.58,1348 448,1349 201,1350 476.424,1351 219.326,1352 474.959,1353 697.92,1354 448,1355 9.699} {0 CHEMBL485630,1 1.518,2 14.848,3 3.444,4 11.862,5 124.491,6 7.426,7 0.459,8 4.2,9 4.307,10 3.771,11 3.743,12 5.264,13 3.729,14 4.771,15 4.933,16 4.141,17 4.146,18 5.806,19 4.115,20 5.055,21 5.247,22 4.215,23 4.301,24 6.121,25 4.238,26 5.107,27 5.336,28 4.059,29 4.254,30 6.053,31 4.151,32 5.024,33 5.266,34 3.948,35 4.158,36 5.988,37 4.052,38 4.883,39 5.094,40 3.902,41 4.117,42 5.89,43 4.011,44 4.943,45 5.173,46 3.865,47 4.119,48 5.917,49 3.996,50 4.92,51 5.17,52 3.753,53 4.04,54 5.823,55 3.903,56 0.027,57 0.851,58 12.19,59 5.684,60 6.413,61 7.201,62 0.253,63 1.421,64 24.298,65 9.478,66 25.836,67 12.387,68 0.581,69 1.781,70 34.429,71 12.447,72 64.519,73 16.513,74 0.479,75 1.767,76 38.141,77 13.987,78 56.091,79 18.89,80 0.571,81 1.615,82 35.935,83 12.696,84 65.211,85 17.336,86 0.398,87 1.471,88 29.235,89 11.44,90 57.3,91 15.371,92 0.485,93 1.532,94 32.069,95 12.039,96 71.546,97 16.54,98 0.496,99 1.522,100 31.857,101 11.122,102 62.382,103 15.86,104 10,105 52,106 0.244,107 0.593,108 0.798,109 0.862,110 0.867,111 0.867,112 3.531,113 0.921,114 -3.29,115 -3.27,116 -3.14,119 43.3,120 1,121 2,122 1,125 5,140 8,141 2,142 3,144 2,155 1,156 1,169 9,172 11,174 1,176 1,178 8,181 2,182 12,184 1,186 2,189 5,192 1,193 8,197 1,199 7,202 1,203 5,206 1,211 10,214 1,215 4,218 1,222 12,225 2,226 4,233 8,236 2,237 3,242 2,244 2,248 1,249 6,254 1,256 2,259 1873,260 22.48,261 22.48,262 22.48,263 22.48,264 22.48,265 20.198,266 25.454,267 13.162,268 22.869,269 18.28,270 18.28,271 18.28,272 18.28,273 18.28,274 14.693,275 27.994,276 6.299,277 18.904,278 4.389,279 2.218,280 0.946,281 0.546,282 0.513,283 0.513,284 4.243,288 1,289 1,290 1091,291 3.317,295 493.167,299 328.006,302 2.365,303 33.961,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 71.5,315 490,316 4.516,317 3.667,318 6.518,319 4.028,320 3.056,321 4.458,322 2.03,323 10.25,324 2.969,325 4.353,326 3.618,327 6.274,328 3.986,329 3.007,330 3.986,331 1.408,332 9.518,333 2.955,334 3.958,335 3.189,336 5.945,337 3.703,338 2.734,339 3.279,340 0.892,341 8.378,342 2.642,343 3.728,344 2.98,345 5.481,346 3.539,347 2.552,348 3.171,349 0.86,350 7.318,351 2.508,352 3.616,353 2.822,354 5.321,355 3.285,356 2.337,357 2.72,358 0.744,359 6.73,360 2.216,361 3.5,362 2.623,363 5.116,364 3.162,365 2.171,366 2.655,367 0.141,368 6.303,369 2.151,370 3.301,371 2.342,372 4.959,373 3.039,374 2.069,375 2.592,377 5.809,378 1.977,379 3.16,380 2.123,381 4.808,382 2.825,383 1.86,384 2.24,386 5.27,387 1.787,388 2.985,389 2.042,390 4.424,391 2.518,392 1.583,393 2.18,395 4.361,396 1.5,397 2.888,398 1.794,399 4.189,400 2.506,401 1.515,402 2.011,404 3.793,405 1.472,406 2.74,407 1.553,408 4.044,409 2.304,410 1.282,411 1.729,413 3.35,414 1.299,415 2.439,416 1.316,417 3.448,418 1.992,419 1.046,420 1.414,422 2.408,423 0.983,424 2,425 1.293,426 3.414,427 1.984,428 1,429 1,431 2.275,432 0.982,433 1.964,434 1.077,435 3.284,436 1.66,437 0.736,438 0.869,440 1.761,441 0.672,442 1.806,443 0.882,444 3.171,445 1.552,446 0.616,447 0.714,449 1.458,450 0.57,451 15.533,452 0.471,453 0.797,454 0.024,455 42.25,456 1.28,457 20.5,458 0.621,459 21.75,460 0.659,461 28.899,462 0.876,463 35.467,464 0.591,465 31.707,466 0.961,467 8.196,468 0.248,469 7.851,470 0.238,471 0.075,473 0.348,479 0.741,480 1.304,481 0.761,482 1.117,483 0.553,484 0.968,485 0.986,486 1.144,487 0.893,488 1.009,489 0.61,490 0.94,491 1.066,492 1.04,493 1.063,494 1.035,495 0.976,496 1.039,497 1.032,498 1.026,499 1.011,500 1.053,501 0.822,502 1.038,503 1.036,504 0.844,505 0.974,506 0.882,507 1.171,508 0.915,509 0.819,510 1.05,511 1.062,512 1.135,513 1.165,514 1.142,515 0.809,516 1.079,517 1.045,518 1.089,519 0.717,520 1.112,521 0.753,522 1.09,523 1.081,524 1.076,525 0.913,526 1.12,527 7,528 0.148,529 3.778,530 1.625,531 2.116,532 0.958,533 0.588,534 0.399,535 0.291,536 0.209,537 19015,538 48895,539 2.15,540 45,542 18,545 1,546 3,547 5,550 1.745,551 2.041,552 3.823,553 -0.382,555 1,559 91.065,560 1.518,561 3.689,562 4.961,563 5.361,564 5.394,565 5.394,566 3.242,567 4.863,568 5.019,569 4.034,570 2129.89,571 8.743,572 34008.5,574 1,577 354.413,578 1.301,579 4.989,580 0.189,581 0.006,582 0.073,583 0.031,584 0.048,585 0.024,586 0.015,587 0.011,588 0.009,589 0.007,590 0.414,591 0.33,592 0.88,593 0.467,594 179.696,595 -0.023,596 -0.145,597 0.065,598 -0.055,599 -0.016,600 0.008,601 -0.049,602 -0.045,603 0.022,604 -0.007,605 0.028,606 0.016,607 -0.002,608 0.003,609 -0.098,610 -0.059,611 0.006,612 -0.086,613 -0.044,614 -0.081,615 -0.019,616 -0.061,617 0.001,618 -0.041,619 -0.031,620 0.098,621 0.034,622 0.098,623 -0.064,624 0.08,625 0.032,626 -0.064,627 -0.113,628 -0.126,629 -0.059,630 -0.141,631 0.05,632 -0.122,633 -0.073,634 -0.09,635 0.086,636 -0.106,637 0.048,638 -0.104,639 -0.099,640 -0.111,641 -0.04,642 -0.128,643 1.869,644 5.795,645 0.788,646 37.826,647 1.004,648 1.122,649 2.056,650 4.228,651 0.666,652 3.638,653 3.97,654 4.234,655 4.489,656 4.762,657 4.787,658 4.86,659 4.97,660 5.094,661 5.03,662 8.731,663 0.637,664 445.56,665 3.638,666 5.187,667 6.038,668 6.913,669 7.776,670 8.652,671 9.52,672 10.395,673 11.265,674 12.141,675 5,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,700 1,712 2,714 60,716 19,717 2,718 37,720 64,721 26,722 15,723 6,724 6,725 1,730 5,731 7,736 1,740 2,741 1,743 2,745 17,746 9,747 1,750 2,755 2,759 2,761 1,764 27,765 7,766 1,767 7,773 3,777 0.6,778 4,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 33,833 7,834 1,835 2,837 1,838 1,847 6.7,850 2,852 2,854 16.167,855 11.067,856 7.111,857 3.719,858 3.419,859 1.407,860 0.997,861 6.298,862 11.814,863 3.882,864 4.466,865 5.019,866 5.58,867 6.15,868 6.385,869 6.662,870 6.922,871 7.208,872 6.9,873 0.9,874 53,875 12.278,877 5.326,878 7.722,879 23.659,881 19.942,883 2.222,884 73.333,887 1,888 306.049,889 138.947,890 37.921,892 72.29,895 138.947,896 378.338,897 37.921,898 8.825,899 38.582,900 75.81,901 76.914,902 49.027,904 306.049,906 306.049,907 176.868,908 72.29,911 247.193,912 131.145,915 55.432,916 104.65,917 16.786,919 306.049,920 110.21,921 138.947,924 306.049,925 54.312,926 87.759,927 18.011,928 89.075,929 306.049,930 110.21,931 138.947,933 0.586,934 0.339,935 0.181,936 0.105,937 26,938 11,939 0.094,940 6,941 2,942 1.154,943 4.588,944 300.802,945 0.154,946 26,947 160.465,951 21.875,952 9.501,953 5.024,954 1.993,955 110.21,956 15.281,957 4.575,961 3.622,963 18.011,964 555.206,965 47.5,970 24.329,974 -0.155,975 60.218,976 67.315,977 0.257,978 0.625,979 0.84,980 0.908,981 0.913,982 0.913,983 5.131,984 1.86,985 6.019,986 5.809,987 4.654,988 5.153,989 2.769,990 6.806,991 4.591,992 6.323,993 1.583,994 7.562,995 5.27,996 4.205,997 4.977,998 1.668,999 7.627,1000 4.141,1001 7.624,1002 1.515,1003 9.198,1004 4.361,1005 6.232,1006 7.327,1007 3.566,1008 10.7,1009 6.114,1010 8.955,1011 1.282,1012 10.889,1013 3.793,1014 6.567,1015 7.974,1016 3.22,1017 12.334,1018 6.446,1019 10.318,1020 1.046,1021 12.615,1022 3.35,1023 8.064,1024 9.829,1025 4.66,1026 14.917,1027 7.897,1028 11.702,1029 1,1030 14.366,1031 2.408,1032 8.777,1033 10.885,1034 4.758,1035 16.911,1036 8.603,1037 13.105,1038 0.736,1039 16.136,1040 2.275,1041 10.045,1042 12.529,1043 5.901,1044 19.315,1045 9.835,1046 3.056,1047 0.616,1048 17.92,1049 1.761,1050 10.951,1051 13.795,1052 6.252,1053 21.475,1054 10.727,1055 3.007,1056 10.25,1057 19.715,1058 1.458,1059 12.118,1060 15.346,1061 7.219,1062 23.812,1063 11.863,1064 2.734,1065 9.518,1066 21.521,1067 4.458,1068 13.12,1069 16.719,1070 7.716,1071 26.049,1072 12.848,1073 2.552,1074 8.378,1075 23.334,1076 3.986,1077 14.244,1078 18.228,1079 8.579,1080 28.362,1081 13.945,1082 2.337,1083 7.318,1084 25.153,1085 3.279,1086 15.295,1087 19.654,1088 9.161,1089 30.635,1090 14.975,1091 2.171,1092 6.73,1093 26.979,1094 3.171,1095 16.401,1096 21.146,1097 9.962,1098 32.942,1099 16.057,1100 2.069,1101 6.303,1102 28.81,1103 2.72,1104 17.477,1105 22.6,1106 10.595,1107 35.233,1108 17.11,1109 17416,1110 28123,1111 25.255,1112 39.972,1113 55.394,1114 58.057,1115 56.465,1116 55.056,1117 55.131,1118 70.035,1119 12.151,1120 157.966,1121 53.365,1122 5.516,1123 5.667,1124 6.055,1125 5.136,1126 5.056,1127 7.458,1128 3.634,1129 17.085,1130 4.969,1131 13.788,1132 1.497,1133 1.569,1134 1.526,1135 1.488,1136 1.49,1137 1.893,1138 0.328,1139 4.269,1140 1.442,1141 4.081,1142 4.106,1143 4.041,1144 4.002,1145 7.43,1146 4.008,1147 3.989,1148 4.013,1149 3.944,1150 3.889,1151 7.425,1152 3.898,1153 3.857,1154 3.912,1155 3.744,1156 3.718,1157 5.016,1158 3.714,1159 3.581,1160 3.608,1161 3.511,1162 3.426,1163 4.833,1164 3.423,1165 3.525,1166 3.569,1167 3.43,1168 3.361,1169 4.579,1170 3.39,1171 3.371,1172 3.422,1173 3.264,1174 3.174,1175 4.325,1176 3.19,1177 3.165,1178 3.206,1179 3.063,1180 2.98,1181 4.241,1182 2.986,1183 3.111,1184 3.203,1185 2.907,1186 2.941,1187 4.179,1188 2.91,1189 0.122,1190 0.099,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.667,1197 0.055,1198 6.518,1199 0.277,1200 4.028,1201 0.08,1202 3.056,1203 4.458,1204 2.03,1205 10.25,1206 2.969,1207 2.033,1208 2.012,1209 2.111,1210 2.127,1211 1.451,1212 2.123,1213 1.933,1214 1.913,1215 2.063,1216 2.066,1217 1.218,1218 2.063,1219 1.84,1220 1.786,1221 1.996,1222 2.006,1223 1.132,1224 2.007,1225 1.531,1226 1.487,1227 1.737,1228 1.724,1229 0.895,1230 1.712,1231 1.478,1232 1.448,1233 1.654,1234 1.669,1235 0.825,1236 1.681,1237 1.32,1238 1.268,1239 1.55,1240 1.547,1241 0.806,1242 1.553,1243 1.153,1244 1.072,1245 1.513,1246 1.376,1247 0.727,1248 1.429,1249 1.125,1250 1.064,1251 1.425,1252 1.348,1253 0.591,1254 1.358,1255 4.317,1257 5.645,1259 7.169,1261 8.782,1263 10.439,1265 1.989,1271 4.749,1272 2.758,1273 11.541,1275 0.459,1276 2.192,1280 38.245,1281 91.065,1282 221.355,1283 297.659,1284 321.659,1285 323.659,1286 323.659,1287 59.067,1288 8.395,1289 80.76,1290 80.76,1291 30,1292 12.681,1293 4.322,1294 3.524,1295 48.315,1296 179,1297 149,1298 0.13,1299 230.298,1300 405.62,1301 553.688,1302 66569,1304 22.786,1305 0.69,1306 0.566,1307 22.786,1308 18.673,1309 16.047,1310 0.434,1311 0.307,1312 11.206,1313 15.426,1314 10.948,1315 9.008,1316 16.047,1317 11.364,1318 14.722,1319 0.283,1320 0.169,1321 14.722,1322 8.777,1323 12.396,1324 0.182,1325 0.093,1326 12.396,1327 6.314,1328 10.295,1329 0.117,1330 0.05,1331 10.295,1332 4.424,1333 8.811,1334 0.076,1335 0.028,1336 8.811,1337 3.299,1338 0.214,1339 100.681,1340 0.199,1341 31.486,1342 0.334,1343 178,1344 520.565,1345 195.593,1346 493.33,1347 672.77,1348 464,1349 209,1350 489.365,1351 227.565,1352 492.658,1353 722.38,1354 464,1355 6.6} {0 CHEMBL487313,1 1.48,2 18.865,3 6.568,4 43.135,5 144.475,6 6.769,7 0.4,8 4.381,9 4.511,10 3.85,11 3.913,12 5.407,13 3.869,14 4.961,15 5.151,16 4.183,17 4.33,18 5.995,19 4.245,20 5.297,21 5.549,22 4.199,23 4.48,24 6.196,25 4.353,26 5.338,27 5.606,28 4.126,29 4.466,30 6.202,31 4.317,32 5.315,33 5.594,34 4.076,35 4.415,36 6.135,37 4.261,38 5.25,39 5.523,40 4.065,41 4.377,42 6.173,43 4.227,44 5.208,45 5.483,46 4.003,47 4.338,48 6.036,49 4.186,50 5.165,51 5.437,52 3.963,53 4.284,54 6.019,55 4.138,56 0.054,57 1.119,58 17.084,59 7.431,60 10.125,61 10.069,62 0.293,63 1.84,64 31.813,65 12.653,66 49.862,67 17.805,68 0.414,69 2.302,70 46.402,71 16.938,72 71.353,73 24.217,74 0.441,75 2.28,76 48.666,77 17.409,78 75.906,79 25.282,80 0.467,81 2.145,82 47.69,83 16.805,84 71.718,85 24.711,86 0.633,87 2.085,88 44.805,89 15.719,90 96.13,91 23.194,92 0.415,93 1.985,94 42.669,95 15.356,96 62.861,97 22.486,98 0.413,99 1.909,100 41.028,101 14.564,102 64.301,103 21.115,104 27,105 53,106 0.229,107 0.532,108 0.686,109 0.8,110 0.85,111 0.869,112 3.641,113 1.021,114 -5.55,115 -5.42,116 -5.06,119 40,121 10,122 1,125 3,140 7,141 3,142 2,149 1,150 1,156 2,165 1,168 1,169 17,170 1,172 5,174 2,176 7,178 17,179 1,182 5,186 8,189 13,190 1,193 7,197 6,199 12,200 1,203 5,207 1,208 2,211 15,212 1,215 4,218 1,220 3,222 17,223 1,226 4,229 1,231 2,233 13,234 1,237 5,240 1,242 4,244 12,245 1,249 2,254 4,256 13,259 3318,260 25.12,261 25.12,262 25.12,263 25.12,264 25.12,265 22.94,266 25.238,267 15.344,268 25.391,269 19.786,270 19.786,271 19.786,272 19.786,273 19.786,274 16.441,275 29.076,276 7.404,277 20.227,278 4.749,279 2.791,280 1.794,281 1.06,282 0.74,283 0.613,284 4.338,290 1483,291 4.472,294 100.111,295 387.123,298 180.278,302 3.22,303 38.037,306 0.5,307 0.67,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.7,314 80,315 698,316 4.587,317 3.596,318 6.719,319 4.163,320 3.174,321 4.52,322 2.341,323 10.947,324 3.138,325 4.193,326 3.574,327 6.057,328 3.838,329 2.84,330 3.763,331 1.058,332 8.719,333 2.83,334 3.824,335 3.296,336 5.778,337 3.593,338 2.628,339 3.215,340 0.8,341 7.905,342 2.546,343 3.676,344 2.886,345 5.324,346 3.349,347 2.4,348 2.975,350 6.892,351 2.268,352 3.55,353 2.849,354 5.247,355 3.242,356 2.261,357 2.802,359 6.594,360 2.224,361 3.521,362 2.578,363 4.997,364 3.214,365 2.236,366 2.71,368 5.926,369 2.14,370 3.378,371 2.254,372 4.659,373 3.053,374 2.09,375 2.487,377 5.184,378 2.001,379 2.911,380 1.961,381 4.583,382 2.851,383 1.853,384 2.01,386 4.454,387 1.845,388 2.849,389 1.893,390 4.067,391 2.562,392 1.568,393 1.868,395 3.735,396 1.556,397 2.779,398 1.626,399 3.95,400 2.452,401 1.461,402 1.804,404 3.42,405 1.444,406 2.592,407 1.518,408 3.871,409 2.289,410 1.297,411 1.604,413 3.091,414 1.27,415 2.5,416 1.233,417 3.553,418 2.117,419 1.134,420 1.5,422 2.932,423 1.11,424 2.499,425 1.15,426 3.414,427 2.005,428 1.016,429 1.49,431 2.275,432 1.001,433 2.109,434 1.077,435 3.414,436 2,437 1,438 1.064,440 2.275,441 1,442 2.006,443 1,444 3.25,445 1.984,446 1,447 1,449 2.115,450 0.983,451 17.486,452 0.473,453 0.767,454 0.021,455 40.25,456 1.088,457 17.5,458 0.473,459 22.75,460 0.615,461 39.143,462 1.058,463 41.914,464 0.559,465 30.256,466 0.818,467 7.276,468 0.197,469 10.716,470 0.29,471 0.074,473 0.28,477 1,479 0.693,480 1.2,481 0.882,482 1.133,483 0.575,484 1.053,485 0.555,486 1.171,487 0.957,488 1.175,489 0.406,490 1.135,491 0.829,492 1.008,493 0.97,494 1.015,495 0.736,496 1.013,497 0.771,498 0.961,499 0.97,500 1.023,501 0.705,502 1.026,503 0.678,504 0.838,505 0.881,506 0.927,507 0.649,508 0.936,509 0.577,510 0.815,511 0.904,512 0.939,513 0.504,514 0.966,515 0.632,516 0.889,517 0.891,518 0.962,519 0.579,520 0.966,521 0.759,522 0.884,523 0.922,524 0.945,525 0.713,526 0.957,527 6.5,528 0.165,529 3.556,530 1.632,531 1.503,532 0.928,533 0.555,534 0.541,535 0.389,536 0.217,537 25771,538 67016,539 2.071,540 50.7,541 13,542 13,543 1,545 3,546 2,547 6,550 1.774,551 1.965,552 4.143,553 0.728,559 111.024,560 1.48,561 3.438,562 4.434,563 5.169,564 5.489,565 5.615,566 3.661,567 4.811,568 5.167,569 4.361,570 2904.1,571 9.059,572 53240.2,577 467.161,578 1.283,579 5.153,580 0.162,581 0.005,582 0.067,583 0.031,584 0.032,585 0.021,586 0.013,587 0.013,588 0.01,589 0.006,590 0.359,591 0.17,592 0.63,593 1.896,594 212.098,595 -0.043,596 -0.04,597 0.028,598 0.027,599 -0.012,600 0.037,601 0.1,602 -0.101,603 -0.032,604 -0.095,605 0.152,606 -0.087,607 -0.05,608 -0.033,609 -0.015,610 -0.009,611 0.002,612 -0.006,613 -0.035,614 -0.049,615 -0.019,616 -0.038,617 -0.002,618 -0.027,619 0.001,620 -0.005,621 0.064,622 0.037,623 0.001,624 0.056,625 0.118,626 0.077,627 0.045,628 0.032,629 0.118,630 0.026,631 0.026,632 -0.005,633 0.051,634 0.019,635 0.016,636 0.036,637 -0.016,638 0.002,639 0.031,640 0.028,641 -0.008,642 0.035,643 2.356,644 5.565,645 0.568,646 66.263,647 0.996,648 1.132,649 4.316,650 18.632,651 0.64,652 3.714,653 3.989,654 4.205,655 4.431,656 4.654,657 4.745,658 4.875,659 5.037,660 5.13,661 5.236,662 10.576,663 0.601,664 507.71,665 3.714,666 5.231,667 6.052,668 6.903,669 7.747,670 8.609,671 9.468,672 10.339,673 11.208,674 12.086,675 4,678 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,702 1,713 1,714 75,716 18,717 2,718 40,720 78,721 30,722 14,723 5,724 7,725 1,730 4,731 5,740 2,741 1,743 10,745 16,746 14,747 1,750 2,755 2,759 2,762 1,764 38,765 6,766 3,767 7,773 3,777 0.75,778 3,788 1,792 1,793 3,796 1,807 1,815 1,817 1,819 3,825 1,827 37,832 1,833 13,834 1,837 1,838 1,846 1,847 4,849 1,850 2,854 18.833,855 12.876,856 8.278,857 5.052,858 3.041,859 1.365,860 0.96,861 10.156,862 11.377,863 3.932,864 4.451,865 4.962,866 5.515,867 6.017,868 6.316,869 6.68,870 7.075,871 7.245,872 7.585,873 0.923,874 52,875 13.789,877 5.842,878 7.802,879 26.824,881 22.438,883 2.302,884 85.167,888 411.989,889 135.624,890 37.921,892 92.973,893 14.96,895 135.624,896 504.962,897 52.881,899 49.673,900 75.381,901 98.588,902 40.732,903 28.875,904 400.217,906 411.989,907 173.545,908 107.933,911 356.322,912 163.6,915 69.583,916 103.962,919 426.949,920 130.894,921 135.624,924 411.989,925 60.243,926 78.505,927 34.796,928 107.933,929 411.989,930 145.854,931 135.624,933 0.568,934 0.311,935 0.16,936 0.088,937 22,938 10,939 0.167,940 13,941 1,942 1.095,943 5.028,944 325.606,945 0.095,946 21,947 182.75,951 27.349,952 13.74,953 8.148,954 2.221,955 129.068,956 13.616,958 3.39,961 2.124,963 77.48,964 693.467,965 50,970 23.106,974 -0.937,975 74.705,976 84.936,977 0.238,978 0.552,979 0.712,980 0.83,981 0.881,982 0.902,983 5.153,984 1.853,985 6.004,986 5.184,987 4.673,988 5.139,989 2.546,990 6.749,991 4.631,992 6.314,993 1.568,994 7.518,995 4.454,996 4.111,997 4.879,998 2.283,999 7.535,1000 4.036,1001 7.59,1002 1.461,1003 9.134,1004 3.735,1005 6.196,1006 7.26,1007 3.704,1008 10.625,1009 6.117,1010 8.903,1011 1.297,1012 10.812,1013 3.42,1014 6.479,1015 7.899,1016 4.117,1017 12.315,1018 6.378,1019 10.253,1020 1.134,1021 12.535,1022 3.091,1023 8,1024 9.756,1025 5.218,1026 14.92,1027 7.893,1028 11.63,1029 1.016,1030 14.289,1031 2.932,1032 8.698,1033 10.831,1034 5.89,1035 16.999,1036 8.582,1037 13.029,1038 1,1039 16.068,1040 2.275,1041 9.981,1042 12.477,1043 6.852,1044 19.448,1045 9.856,1046 3.174,1047 1,1048 17.866,1049 2.275,1050 10.894,1051 13.771,1052 7.625,1053 21.699,1054 10.765,1055 2.84,1056 10.947,1057 19.68,1058 2.115,1059 12.076,1060 15.328,1061 8.526,1062 24.099,1063 11.939,1064 2.628,1065 8.719,1066 21.506,1067 4.52,1068 13.099,1069 16.73,1070 9.342,1071 26.425,1072 12.958,1073 2.4,1074 7.905,1075 23.343,1076 3.763,1077 14.243,1078 18.252,1079 10.216,1080 28.812,1081 14.094,1082 2.261,1083 6.892,1084 25.189,1085 3.215,1086 15.323,1087 19.706,1088 11.051,1089 31.173,1090 15.168,1091 2.236,1092 6.594,1093 27.043,1094 2.975,1095 16.456,1096 21.214,1097 11.912,1098 33.559,1099 16.292,1100 2.09,1101 5.926,1102 28.904,1103 2.802,1104 17.564,1105 22.694,1106 12.755,1107 35.935,1108 17.393,1109 24876,1110 40402,1111 26.929,1112 48.023,1113 58.544,1114 60.024,1115 59.607,1116 58.284,1117 58.162,1118 72.351,1119 8.398,1120 158.061,1121 56.908,1122 5.587,1123 5.596,1124 6.63,1125 5.198,1126 5.174,1127 7.52,1128 3.925,1129 18.079,1130 5.138,1131 18.063,1132 1.464,1133 1.501,1134 1.49,1135 1.457,1136 1.454,1137 1.809,1138 0.21,1139 3.952,1140 1.423,1141 4.151,1142 4.186,1143 4.107,1144 4.067,1145 8.201,1146 4.073,1147 3.921,1148 3.946,1149 3.875,1150 3.843,1151 7.474,1152 3.846,1153 3.857,1154 3.922,1155 3.729,1156 3.719,1157 7.429,1158 3.71,1159 3.773,1160 3.832,1161 3.633,1162 3.643,1163 6.351,1164 3.631,1165 3.635,1166 3.689,1167 3.499,1168 3.492,1169 4.965,1170 3.481,1171 3.498,1172 3.553,1173 3.424,1174 3.318,1175 4.603,1176 3.331,1177 3.415,1178 3.471,1179 3.273,1180 3.222,1181 4.371,1182 3.225,1183 3.225,1184 3.27,1185 3.148,1186 3.029,1187 4.296,1188 3.053,1189 0.115,1190 0.09,1191 0.168,1192 0.104,1193 0.079,1194 4.587,1195 0.113,1196 3.596,1197 0.059,1198 6.719,1199 0.274,1200 4.163,1201 0.078,1202 3.174,1203 4.52,1204 2.341,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.096,1210 2.072,1211 1.464,1212 2.081,1213 1.889,1214 1.864,1215 2.048,1216 2.022,1217 1.407,1218 2.026,1219 1.841,1220 1.787,1221 2.004,1222 1.965,1223 1.252,1224 1.985,1225 1.791,1226 1.734,1227 1.962,1228 1.948,1229 1.142,1230 1.958,1231 1.648,1232 1.591,1233 1.898,1234 1.828,1235 1.056,1236 1.852,1237 1.471,1238 1.41,1239 1.707,1240 1.69,1241 1.006,1242 1.691,1243 1.367,1244 1.303,1245 1.589,1246 1.603,1247 0.825,1248 1.606,1249 1.227,1250 1.191,1251 1.513,1252 1.48,1253 0.776,1254 1.453,1255 4.394,1257 5.68,1258 2.398,1259 7.146,1260 4.727,1261 8.7,1262 6.843,1263 10.308,1267 13.168,1270 8.68,1271 13.782,1272 2.942,1275 0.499,1276 2.576,1280 45.074,1281 111.024,1282 257.844,1283 332.577,1284 387.677,1285 411.652,1286 421.161,1287 88.269,1288 8.336,1289 85.43,1290 85.43,1291 23,1292 12.626,1293 4.248,1294 3.459,1295 65.521,1296 228,1297 277,1298 0.134,1299 276.19,1300 487.1,1301 665.664,1302 61166,1303 1.3,1304 26.037,1305 0.704,1306 0.58,1307 25.167,1308 21.477,1309 17.991,1310 0.45,1311 0.34,1312 13.48,1313 17.421,1314 13.255,1315 10.975,1316 17.597,1317 13.615,1318 15.804,1319 0.298,1320 0.192,1321 15.182,1322 10.2,1323 12.539,1324 0.19,1325 0.113,1326 12.128,1327 7.47,1328 10.009,1329 0.121,1330 0.064,1331 9.858,1332 5.325,1333 8.05,1334 0.077,1335 0.037,1336 7.839,1337 3.827,1338 0.223,1339 112.02,1340 0.193,1341 35.203,1342 0.335,1343 186,1344 542.043,1345 202.329,1346 499.258,1347 661.6,1348 464,1349 212,1350 466.974,1351 226.056,1352 466.975,1353 676.54,1354 441,1355 6} {0 CHEMBL488125,1 1.456,2 15,3 4.861,4 23.628,5 131.491,6 6.798,7 0.432,8 4.273,9 4.409,10 3.77,11 3.813,12 5.242,13 3.773,14 4.871,15 5.068,16 4.126,17 4.25,18 5.803,19 4.178,20 5.195,21 5.444,22 4.154,23 4.418,24 6.061,25 4.296,26 5.252,27 5.522,28 4.044,29 4.385,30 6.075,31 4.232,32 5.204,33 5.497,34 3.994,35 4.288,36 5.984,37 4.144,38 5.073,39 5.335,40 3.998,41 4.259,42 6.006,43 4.128,44 5.081,45 5.347,46 3.922,47 4.268,48 5.873,49 4.116,50 5.078,51 5.362,52 3.835,53 4.194,54 5.863,55 4.031,56 0.049,57 1.048,58 15.151,59 6.281,60 7.195,61 8.794,62 0.242,63 1.753,64 29.005,65 10.679,66 25.528,67 15.463,68 0.369,69 2.192,70 41.541,71 15.089,72 46.911,73 21.743,74 0.352,75 2.144,76 44.366,77 15.993,78 53.032,79 23.388,80 0.429,81 1.961,82 42.921,83 14.363,84 50.034,85 21.642,86 0.559,87 1.863,88 37.179,89 12.795,90 72.7,91 19.078,92 0.311,93 1.835,94 36.989,95 13.905,96 38.264,97 20.289,98 0.319,99 1.77,100 37.423,101 13.726,102 43.044,103 20.002,104 5,105 51,106 0.231,107 0.529,108 0.68,109 0.791,110 0.815,111 0.819,112 3.531,113 0.996,114 -5,115 -4.9,116 -4.59,119 40.9,121 5,122 1,125 6,140 7,141 3,142 2,149 1,150 1,156 1,169 12,172 5,174 1,176 6,178 12,181 1,182 4,186 7,189 8,193 5,197 5,199 6,203 7,207 1,208 1,211 9,215 4,218 1,220 2,222 11,226 3,229 1,231 1,233 11,237 4,240 1,242 2,244 10,249 1,252 1,254 2,256 9,259 2149,260 22.739,261 22.739,262 22.739,263 22.739,264 22.739,265 20.767,266 28.149,267 13.51,268 23.122,269 18.286,270 18.286,271 18.286,272 18.286,273 18.286,274 15.262,275 35.201,276 6.478,277 18.905,278 4.589,279 2.709,280 1.756,281 1.061,282 0.909,283 0.879,284 4.243,289 1,290 1092,291 3.24,294 81.252,295 438.77,298 146.177,302 2.606,303 27.057,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70.5,315 495,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.193,326 3.296,327 6.057,328 3.838,329 2.84,330 3.763,331 0.8,332 8.719,333 2.83,334 3.824,335 2.916,336 5.778,337 3.604,338 2.649,339 3.215,340 0.8,341 7.908,342 2.549,343 3.681,344 2.884,345 5.409,346 3.458,347 2.514,348 2.975,350 7.138,351 2.361,352 3.567,353 2.758,354 5.269,355 3.319,356 2.374,357 2.803,359 6.736,360 2.238,361 3.484,362 2.562,363 5.222,364 3.187,365 2.238,366 2.579,368 6.543,369 2.108,370 3.33,371 2.251,372 4.997,373 3.043,374 2.083,375 2.401,377 5.926,378 1.988,379 2.878,380 1.961,381 4.581,382 2.541,383 1.554,384 1.992,386 4.443,387 1.533,388 2.779,389 1.585,390 4.066,391 2.447,392 1.467,393 1.805,395 3.42,396 1.434,397 2.575,398 1.512,399 3.945,400 2.289,401 1.297,402 1.587,404 3.156,405 1.27,406 2.5,407 1.193,408 3.635,409 2.102,410 1.125,411 1.5,413 2.969,414 1.095,415 2.479,416 1.077,417 3.414,418 2,419 1,420 1.476,422 2.275,423 1,424 2.058,425 1.077,426 3.414,427 1.984,428 1,429 1,431 2.275,432 0.983,433 2,434 1,435 3.254,436 1.984,437 1,438 1,440 2.136,441 0.983,442 2,443 0.861,444 3.247,445 1.68,446 0.716,447 0.898,449 1.676,450 0.689,451 15.719,452 0.476,453 0.691,454 0.021,455 37.5,456 1.136,457 16,458 0.485,459 21.5,460 0.652,461 32.672,462 0.99,463 36.481,464 0.553,465 27.349,466 0.829,467 6.955,468 0.211,469 9.198,470 0.279,471 0.039,473 0.305,477 1,479 0.682,480 1.256,481 0.854,482 1.125,483 0.499,484 1.029,485 0.797,486 1.096,487 0.983,488 1.052,489 0.479,490 1.033,491 0.892,492 0.987,493 1.02,494 1.035,495 0.711,496 1.038,497 0.792,498 0.99,499 0.981,500 1.072,501 0.732,502 1.057,503 0.76,504 0.769,505 0.836,506 0.822,507 0.663,508 0.832,509 0.642,510 0.794,511 0.957,512 0.927,513 0.445,514 0.967,515 0.59,516 0.914,517 0.942,518 1.043,519 0.518,520 1.041,521 0.673,522 0.876,523 0.884,524 0.972,525 0.666,526 0.964,527 6,528 0.152,529 3.556,530 1.444,531 1.574,532 0.962,533 0.454,534 0.515,535 0.389,536 0.196,537 18300,538 39676,539 2.168,540 50,541 3,542 19,543 1,545 2,547 8,550 1.748,551 2.084,552 3.845,553 0.132,559 96.083,560 1.456,561 3.335,562 4.288,563 4.984,564 5.135,565 5.166,566 3.366,567 4.393,568 5.009,569 4.022,570 2123.8,571 8.754,572 33238.2,577 398.93,578 1.182,579 4.999,580 0.162,581 0.005,582 0.07,583 0.029,584 0.037,585 0.023,586 0.011,587 0.013,588 0.011,589 0.006,590 0.366,591 0.33,592 0.88,593 0.398,594 178.674,595 -0.016,596 -0.118,597 0.061,598 -0.015,599 0.009,600 0.025,601 -0.019,602 -0.035,603 -0.036,604 -0.026,605 0.077,606 -0.029,607 -0.05,608 -0.006,609 -0.057,610 -0.039,611 0.038,612 -0.045,613 -0.019,614 -0.107,615 -0.023,616 -0.09,617 0.025,618 -0.063,619 0.006,620 0.037,621 0.133,622 0.113,623 0.023,624 0.137,625 0.147,626 0.121,627 0.006,628 0.038,629 0.204,630 0.011,631 0.042,632 -0.034,633 -0.004,634 -0.045,635 0.042,636 -0.032,637 0.035,638 -0.04,639 0.069,640 0.005,641 0.038,642 0.034,643 2.012,644 5.548,645 0.818,646 45.17,647 0.992,648 1.133,649 3.77,650 14.21,651 0.649,652 3.638,653 3.951,654 4.22,655 4.466,656 4.71,657 4.771,658 4.905,659 5.081,660 5.198,661 5.313,662 8.491,663 0.607,664 448.64,665 3.638,666 5.176,667 6.023,668 6.891,669 7.753,670 8.626,671 9.496,672 10.374,673 11.25,674 12.131,675 6.1,678 2,682 1,683 1,687 2,688 8,690 1,693 4,695 16,702 1,713 1,714 66,716 17,717 2,718 37,720 70,721 27,722 14,723 5,724 7,725 1,730 5,731 6,740 5,741 1,743 5,745 15,746 12,747 1,750 1,755 1,759 1,762 1,764 33,765 5,766 2,767 6,773 4,777 0.8,778 1,788 1,792 1,793 4,796 1,815 2,819 4,825 1,827 33,833 11,834 1,837 1,838 2,846 1,847 1.5,850 1,854 15.833,855 11.46,856 7.194,857 4.386,858 2.999,859 1.358,860 1.013,861 6.983,862 11.377,863 3.85,864 4.404,865 4.962,866 5.523,867 6.029,868 6.32,869 6.684,870 7.08,871 7.254,872 7.597,873 1,874 50,875 12.316,877 5.323,878 7.606,879 24.337,881 20.929,883 2.106,884 69.5,888 364.904,889 128.359,890 41.045,892 25.145,893 14.96,895 128.359,896 390.049,897 56.005,899 43.318,900 75.381,901 29.85,902 43.856,903 28.875,904 353.133,906 364.904,907 169.404,908 40.105,911 285.695,912 119.314,915 66.352,916 103.052,919 379.864,920 66.19,921 128.359,924 364.904,925 52.978,926 81.63,927 34.796,928 40.105,929 364.904,930 81.15,931 128.359,933 0.58,934 0.334,935 0.176,936 0.098,937 25,938 10,939 0.086,940 6,941 1,942 1.074,943 4.623,944 301.141,945 0.074,946 27,947 154.465,951 22.43,952 10.274,953 5.418,954 2.274,955 64.364,956 13.756,958 3.409,961 2.209,963 34.796,964 574.413,965 46,970 12.548,974 -0.228,975 65.501,976 74.77,977 0.241,978 0.552,979 0.709,980 0.825,981 0.85,982 0.855,983 5.094,984 1.554,985 5.989,986 5.926,987 4.635,988 5.091,989 1.641,990 6.765,991 4.574,992 6.261,993 1.467,994 7.522,995 4.443,996 4.111,997 4.832,998 0.57,999 7.582,1000 4.011,1001 7.548,1002 1.297,1003 9.153,1004 3.42,1005 6.196,1006 7.234,1007 1.488,1008 10.67,1009 6.084,1010 8.868,1011 1.125,1012 10.843,1013 3.156,1014 6.509,1015 7.876,1016 0.479,1017 12.357,1018 6.377,1019 10.226,1020 1,1021 12.572,1022 2.969,1023 8.028,1024 9.743,1025 1.47,1026 14.955,1027 7.884,1028 11.609,1029 1,1030 14.33,1031 2.275,1032 8.74,1033 10.821,1034 0.346,1035 17.025,1036 8.591,1037 13.013,1038 1,1039 16.109,1040 2.275,1041 10.021,1042 12.471,1043 1.501,1044 19.468,1045 9.86,1046 3.174,1047 0.716,1048 17.906,1049 2.136,1050 10.935,1051 13.767,1052 0.237,1053 21.712,1054 10.776,1055 2.84,1056 10.947,1057 19.717,1058 1.676,1059 12.115,1060 15.326,1061 1.556,1062 24.108,1063 11.946,1064 2.649,1065 8.719,1066 21.54,1067 4.52,1068 13.135,1069 16.729,1070 0.158,1071 26.431,1072 12.968,1073 2.514,1074 7.908,1075 23.374,1076 3.763,1077 14.277,1078 18.251,1079 1.626,1080 28.817,1081 14.101,1082 2.374,1083 7.138,1084 25.216,1085 3.215,1086 15.352,1087 19.705,1088 0.104,1089 31.176,1090 15.175,1091 2.238,1092 6.736,1093 27.067,1094 2.975,1095 16.482,1096 21.214,1097 1.706,1098 33.561,1099 16.298,1100 2.083,1101 6.543,1102 28.924,1103 2.803,1104 17.586,1105 22.694,1106 0.068,1107 35.936,1108 17.398,1109 16889,1110 25236,1111 25.542,1112 42.836,1113 55.379,1114 56.436,1115 56.054,1116 55.259,1117 55.15,1118 68.254,1119 5.317,1120 155.205,1121 53.449,1122 5.587,1123 5.574,1124 6.521,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 11.235,1132 1.497,1133 1.525,1134 1.515,1135 1.493,1136 1.491,1137 1.845,1138 0.144,1139 4.195,1140 1.445,1141 4.151,1142 4.186,1143 4.107,1144 4.067,1145 8.201,1146 4.072,1147 3.921,1148 3.956,1149 3.875,1150 3.843,1151 7.429,1152 3.846,1153 3.883,1154 3.943,1155 3.759,1156 3.722,1157 4.965,1158 3.72,1159 3.78,1160 3.846,1161 3.65,1162 3.643,1163 4.603,1164 3.635,1165 3.505,1166 3.563,1167 3.435,1168 3.335,1169 4.393,1170 3.346,1171 3.382,1172 3.458,1173 3.234,1174 3.195,1175 4.334,1176 3.196,1177 3.198,1178 3.232,1179 3.121,1180 3.012,1181 4.228,1182 3.036,1183 3.111,1184 3.206,1185 2.879,1186 2.941,1187 3.857,1188 2.91,1189 0.124,1190 0.097,1191 0.182,1192 0.113,1193 0.086,1194 4.587,1195 0.122,1196 3.574,1197 0.029,1198 6.719,1199 0.296,1200 4.163,1201 0.085,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.093,1210 2.076,1211 1.459,1212 2.085,1213 1.889,1214 1.864,1215 2.052,1216 2.037,1217 1.406,1218 2.04,1219 1.848,1220 1.79,1221 2.003,1222 1.988,1223 1.154,1224 2,1225 1.8,1226 1.741,1227 1.959,1228 1.954,1229 1.059,1230 1.957,1231 1.501,1232 1.434,1233 1.728,1234 1.709,1235 1.032,1236 1.715,1237 1.342,1238 1.267,1239 1.569,1240 1.582,1241 0.825,1242 1.588,1243 1.213,1244 1.178,1245 1.513,1246 1.456,1247 0.825,1248 1.429,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.718,1254 1.429,1255 4.317,1257 5.631,1258 2.398,1259 7.136,1260 4.727,1261 8.723,1262 6.843,1263 10.352,1267 13.149,1271 13.65,1272 2.957,1275 0.535,1276 5.241,1280 40.086,1281 96.083,1282 220.117,1283 283.04,1284 328.93,1285 338.93,1286 340.93,1287 56.621,1288 8.378,1289 51.37,1290 51.37,1291 29,1292 12.668,1293 4.17,1294 3.322,1295 48.096,1296 165,1297 176,1298 0.138,1299 241.749,1300 418.9,1301 581.628,1302 61242,1303 1.5,1304 22.623,1305 0.686,1306 0.58,1307 21.753,1308 19.155,1309 16.153,1310 0.437,1311 0.332,1312 12.145,1313 15.625,1314 11.94,1315 9.814,1316 15.759,1317 12.282,1318 14.439,1319 0.283,1320 0.186,1321 13.817,1322 9.484,1323 12.353,1324 0.184,1325 0.109,1326 11.942,1327 7.287,1328 10.087,1329 0.117,1330 0.062,1331 9.936,1332 5.296,1333 8.337,1334 0.076,1335 0.036,1336 8.125,1337 3.927,1338 0.223,1339 100.448,1340 0.198,1341 31.407,1342 0.359,1343 176,1344 465.803,1345 189.983,1346 429.992,1347 586.82,1348 404,1349 206,1350 428.42,1351 219.924,1352 429.977,1353 630.07,1354 407,1355 6} {0 CHEMBL488951,1 1.476,2 14.194,3 4.006,4 16.049,5 124.215,6 6.816,7 0.471,8 4.203,9 4.341,10 3.694,11 3.727,12 5.217,13 3.688,14 4.778,15 4.982,16 4.04,17 4.144,18 5.743,19 4.079,20 5.059,21 5.29,22 4.072,23 4.317,24 5.99,25 4.203,26 5.184,27 5.461,28 3.985,29 4.31,30 6.033,31 4.161,32 5.108,33 5.385,34 3.93,35 4.227,36 5.928,37 4.08,38 5.041,39 5.322,40 3.927,41 4.171,42 5.982,43 4.041,44 4.941,45 5.194,46 3.845,47 4.151,48 5.804,49 4.013,50 4.98,51 5.263,52 3.75,53 4.094,54 5.812,55 3.937,56 0.043,57 0.983,58 14.116,59 5.747,60 8.25,61 8.096,62 0.253,63 1.594,64 26.591,65 9.455,66 25.784,67 13.795,68 0.272,69 1.959,70 35.873,71 13.322,72 44.531,73 19.019,74 0.39,75 1.977,76 41.772,77 14.786,78 56.449,79 21.647,80 0.333,81 1.792,82 38.526,83 13.576,84 47.906,85 20.139,86 0.593,87 1.743,88 36.551,89 11.832,90 76.259,91 18.039,92 0.283,93 1.629,94 32.034,95 11.803,96 37.609,97 17.249,98 0.308,99 1.6,100 34.028,101 12.239,102 44.725,103 17.88,104 21,105 47,106 0.238,107 0.557,108 0.723,109 0.794,110 0.825,111 0.825,112 3.471,113 0.975,114 -4.6,115 -4.52,116 -4.25,119 40.3,121 3,122 1,124 2,125 4,140 7,141 3,142 2,149 1,150 1,156 1,169 10,172 5,174 1,176 6,178 11,182 3,186 7,189 8,192 1,193 5,197 5,199 8,203 3,207 1,208 1,211 10,215 4,218 1,220 2,222 12,226 3,229 1,231 1,233 8,237 4,240 1,242 3,244 7,249 1,254 2,256 7,259 1843,260 20.878,261 20.878,262 20.878,263 20.878,264 20.878,265 18.905,266 27.031,267 12.344,268 21.258,269 16.786,270 16.786,271 16.786,272 16.786,273 16.786,274 13.762,275 35.201,276 5.907,277 17.39,278 4.479,279 2.494,280 1.462,281 1.024,282 0.831,283 0.831,284 4.168,288 1,289 1,290 941,291 3.742,294 76.72,295 298.901,298 137.552,302 2.47,303 26.386,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66.5,315 440,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.193,326 3.296,327 6.057,328 3.838,329 2.84,330 3.763,331 0.8,332 8.719,333 2.83,334 3.824,335 2.886,336 5.778,337 3.594,338 2.629,339 3.215,340 0.8,341 7.905,342 2.546,343 3.676,344 2.853,345 5.325,346 3.353,347 2.405,348 2.975,350 6.895,351 2.272,352 3.522,353 2.599,354 5.248,355 3.228,356 2.279,357 2.802,359 6.595,360 2.151,361 3.387,362 2.54,363 4.997,364 3.11,365 2.185,366 2.493,368 5.926,369 2.027,370 3.197,371 2.252,372 4.654,373 3.035,374 2.081,375 2.208,377 5.158,378 1.964,379 2.879,380 1.961,381 4.578,382 2.521,383 1.534,384 1.992,386 4.444,387 1.512,388 2.779,389 1.552,390 4.066,391 2.29,392 1.3,393 1.805,395 3.419,396 1.272,397 2.567,398 1.248,399 3.945,400 2.14,401 1.159,402 1.579,404 2.997,405 1.133,406 2.5,407 1.12,408 3.414,409 2,410 1.03,411 1.5,413 2.275,414 1,415 2.133,416 1.077,417 3.414,418 1.998,419 1,420 1.094,422 2.275,423 0.994,424 2,425 1,426 3.301,427 1.984,428 1,429 1,431 2.252,432 0.983,433 1.979,434 0.744,435 3.213,436 1.583,437 0.613,438 0.832,440 1.502,441 0.593,442 1.223,443 0.496,444 2.786,445 0.97,446 0.008,447 0.009,449 0.02,450 0.008,451 14.719,452 0.475,453 0.767,454 0.025,455 36,456 1.161,457 16,458 0.516,459 20,460 0.645,461 29.109,462 0.939,463 34.481,464 0.556,465 27.313,466 0.881,467 7.038,468 0.227,469 7.953,470 0.257,471 0.11,473 0.326,477 1,479 0.69,480 1.291,481 0.859,482 1.152,483 0.525,484 1.047,485 0.835,486 0.997,487 0.939,488 0.939,489 0.494,490 0.936,491 0.908,492 1.098,493 1.061,494 1.141,495 0.778,496 1.124,497 0.787,498 0.874,499 0.936,500 0.977,501 0.741,502 0.977,503 0.668,504 0.877,505 0.859,506 0.97,507 0.678,508 0.951,509 0.649,510 0.699,511 0.878,512 0.802,513 0.432,514 0.849,515 0.657,516 0.957,517 0.994,518 1.086,519 0.581,520 1.086,521 0.705,522 0.861,523 0.895,524 0.965,525 0.711,526 0.962,527 6.5,528 0.174,529 3.556,530 1.632,531 1.423,532 0.983,533 0.596,534 0.525,535 0.372,536 0.191,537 14189,538 33067,539 2.084,540 50,541 1,542 21,543 1,545 2,547 4,548 2,550 1.733,551 1.958,552 3.767,553 0.161,555 1,559 91.484,560 1.476,561 3.46,562 4.492,563 4.93,564 5.123,565 5.123,566 3.256,567 4.543,568 4.916,569 3.942,570 1833.12,571 8.575,572 27175.6,574 1,577 369.16,578 1.383,579 4.888,580 0.191,581 0.006,582 0.076,583 0.035,584 0.035,585 0.025,586 0.015,587 0.015,588 0.012,589 0.006,590 0.417,591 0.33,592 1,593 1.18,594 164.123,595 -0.02,596 -0.148,597 0.053,598 -0.039,599 -0.011,600 0.007,601 -0.034,602 0.063,603 0.012,604 0.079,605 0.079,606 0.062,607 -0.073,608 -0.087,609 -0.109,610 -0.115,611 0.014,612 -0.115,613 -0.008,614 -0.001,615 0.023,616 -0.001,617 0.022,618 0.014,619 0.033,620 -0.073,621 0.09,623 0.019,624 0.041,625 0.151,626 0.182,627 0.092,628 0.136,629 0.209,630 0.116,631 0.017,632 -0.045,633 -0.056,634 -0.082,635 0.015,636 -0.078,637 0.022,638 -0.023,639 0.058,640 0.012,641 0.016,642 0.034,643 2.015,644 5.501,645 0.677,646 40.847,647 0.994,648 1.135,649 3.367,650 11.337,651 0.646,652 3.555,653 3.871,654 4.111,655 4.357,656 4.595,657 4.7,658 4.828,659 4.99,660 5.094,661 5.198,662 8.034,663 0.606,664 422.6,665 3.555,666 5.094,667 5.932,668 6.801,669 7.661,670 8.537,671 9.407,672 10.289,673 11.166,674 12.052,675 6.5,678 2,682 1,683 1,687 2,688 8,690 1,693 4,695 16,702 1,713 1,714 62,716 17,717 2,718 34,720 65,721 25,722 14,723 5,724 7,725 1,730 4,731 5,740 2,741 1,743 3,745 15,746 10,747 1,750 1,755 1,759 1,761 1,762 1,764 31,765 5,766 2,767 6,773 4,777 0.75,778 1,788 1,792 1,793 3,796 1,815 2,819 3,823 2,825 1,827 31,833 7,834 1,837 1,838 2,846 1,847 1.6,850 1,854 15.833,855 11.46,856 6.778,857 3.836,858 3.008,859 1.377,860 0.99,861 6.937,862 10.992,863 3.784,864 4.353,865 4.912,866 5.486,867 6,868 6.305,869 6.672,870 7.068,871 7.24,872 7.582,873 0.9,874 46,875 11.531,877 4.89,878 7.677,879 22.485,881 18.774,883 2.177,884 67.5,887 1,888 341.362,889 135.871,890 41.045,892 25.145,893 14.96,895 135.871,896 366.507,897 56.005,898 16.793,899 34.037,900 75.381,901 29.85,902 43.856,903 28.875,904 329.591,906 341.362,907 176.916,908 40.105,911 285.695,912 95.772,915 57.071,916 119.845,919 356.322,920 66.19,921 135.871,924 341.362,925 43.697,926 98.423,927 34.796,928 40.105,929 341.362,930 81.15,931 135.871,933 0.581,934 0.323,935 0.166,936 0.092,937 22,938 10,939 0.108,940 7,941 1,942 1.095,943 4.342,944 271.255,945 0.095,946 21,947 143.58,951 21.853,952 9.841,953 5.468,954 2.256,955 64.364,956 13.681,958 3.388,961 2.181,963 34.796,964 558.383,965 43,970 12.501,974 -0.234,975 61.618,976 70.355,977 0.248,978 0.581,979 0.754,980 0.828,981 0.86,982 0.86,983 5.024,984 1.534,985 5.911,986 5.158,987 4.554,988 5.04,989 1.641,990 6.691,991 4.492,992 6.209,993 1.3,994 7.451,995 4.444,996 4.111,997 4.832,998 0.57,999 7.535,1000 4.011,1001 7.501,1002 1.159,1003 9.087,1004 3.419,1005 6.12,1006 7.208,1007 1.488,1008 10.611,1009 6.013,1010 8.828,1011 1.03,1012 10.782,1013 2.997,1014 6.479,1015 7.869,1016 0.479,1017 12.315,1018 6.355,1019 10.189,1020 1,1021 12.515,1022 2.275,1023 7.959,1024 9.731,1025 1.47,1026 14.918,1027 7.827,1028 11.576,1029 1,1030 14.276,1031 2.275,1032 8.698,1033 10.816,1034 0.346,1035 16.999,1036 8.564,1037 12.984,1038 0.613,1039 16.06,1040 2.252,1041 9.961,1042 12.466,1043 1.501,1044 19.448,1045 9.818,1046 3.174,1047 0.008,1048 17.861,1049 1.502,1050 10.894,1051 13.765,1052 0.237,1053 21.699,1054 10.753,1055 2.84,1056 10.947,1057 19.676,1058 0.02,1059 12.067,1060 15.324,1061 1.556,1062 24.099,1063 11.918,1064 2.629,1065 8.719,1066 21.504,1067 4.52,1068 13.099,1069 16.728,1070 0.158,1071 26.425,1072 12.95,1073 2.405,1074 7.905,1075 23.342,1076 3.763,1077 14.24,1078 18.25,1079 1.626,1080 28.812,1081 14.083,1082 2.279,1083 6.895,1084 25.189,1085 3.215,1086 15.323,1087 19.705,1088 0.104,1089 31.173,1090 15.163,1091 2.185,1092 6.595,1093 27.043,1094 2.975,1095 16.454,1096 21.214,1097 1.706,1098 33.559,1099 16.286,1100 2.081,1101 5.926,1102 28.903,1103 2.802,1104 17.564,1105 22.694,1106 0.068,1107 35.935,1108 17.39,1109 13624,1110 21113,1111 22.77,1112 40.074,1113 51.036,1114 51.741,1115 52.049,1116 50.584,1117 50.474,1118 63.574,1119 5.317,1120 142.655,1121 48.84,1122 5.587,1123 5.574,1124 6.275,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 15.601,1132 1.501,1133 1.522,1134 1.531,1135 1.488,1136 1.485,1137 1.87,1138 0.156,1139 4.196,1140 1.436,1141 4.15,1142 4.185,1143 4.107,1144 4.066,1145 8.201,1146 4.072,1147 3.92,1148 3.945,1149 3.875,1150 3.842,1151 7.429,1152 3.845,1153 3.842,1154 3.911,1155 3.722,1156 3.69,1157 4.965,1158 3.688,1159 3.667,1160 3.748,1161 3.523,1162 3.49,1163 4.603,1164 3.486,1165 3.491,1166 3.551,1167 3.419,1168 3.297,1169 4.387,1170 3.316,1171 3.335,1172 3.421,1173 3.19,1174 3.121,1175 4.334,1176 3.122,1177 3.194,1178 3.228,1179 3.091,1180 3.008,1181 4.24,1182 3.027,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.861,1188 2.91,1189 0.135,1190 0.105,1191 0.198,1192 0.122,1193 0.093,1194 4.587,1195 0.133,1196 3.574,1197 0.031,1198 6.719,1199 0.322,1200 4.163,1201 0.092,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.09,1210 2.072,1211 1.456,1212 2.079,1213 1.888,1214 1.864,1215 2.01,1216 2.021,1217 1.229,1218 2.021,1219 1.83,1220 1.777,1221 1.966,1222 1.96,1223 1.132,1224 1.963,1225 1.664,1226 1.59,1227 1.909,1228 1.884,1229 1.054,1230 1.898,1231 1.452,1232 1.378,1233 1.695,1234 1.689,1235 0.847,1236 1.689,1237 1.312,1238 1.23,1239 1.575,1240 1.565,1241 0.825,1242 1.579,1243 1.211,1244 1.17,1245 1.513,1246 1.452,1247 0.705,1248 1.429,1249 1.153,1250 1.064,1251 1.417,1252 1.376,1253 0.481,1254 1.424,1255 4.234,1257 5.549,1258 2.398,1259 7.047,1260 4.727,1261 8.628,1262 6.843,1263 10.256,1265 4.249,1267 13.114,1271 8.078,1272 2.942,1275 0.53,1276 4.814,1280 37.559,1281 91.484,1282 214.515,1283 278.489,1284 305.65,1285 317.65,1286 317.65,1287 57.878,1288 7.984,1289 51.37,1290 51.37,1291 23,1292 12.586,1293 4.17,1294 3.322,1295 49.662,1296 145,1297 165,1298 0.163,1299 229.958,1300 396.66,1301 552.857,1302 35676,1303 1.6,1304 21.794,1305 0.703,1306 0.591,1307 20.924,1308 18.327,1309 14.991,1310 0.441,1311 0.325,1312 10.898,1313 14.448,1314 10.597,1315 8.804,1316 14.597,1317 11.044,1318 13.683,1319 0.291,1320 0.186,1321 13.061,1322 8.738,1323 11.039,1324 0.184,1325 0.103,1326 10.628,1327 6.185,1328 8.955,1329 0.116,1330 0.058,1331 8.803,1332 4.44,1333 7.256,1334 0.074,1335 0.032,1336 7.044,1337 3.136,1338 0.263,1339 93.647,1340 0.21,1341 29.709,1342 0.429,1343 162,1344 451.803,1345 175.317,1346 417.288,1347 563.02,1348 390,1349 188,1350 405.716,1351 201.23,1352 411.204,1353 596.68,1354 385,1355 6} {0 CHEMBL489195,1 1.531,2 13.3,3 2.372,4 5.624,5 113.906,6 7.337,7 0.5,8 4.121,9 4.244,10 3.692,11 3.644,12 5.157,13 3.631,14 4.691,15 4.876,16 4.06,17 4.047,18 5.695,19 4.018,20 4.948,21 5.159,22 4.114,23 4.223,24 5.937,25 4.155,26 4.992,27 5.226,28 3.965,29 4.238,30 5.83,31 4.11,32 5.028,33 5.302,34 3.869,35 4.178,36 5.809,37 4.034,38 4.928,39 5.197,40 3.756,41 4.046,42 5.746,43 3.91,44 4.791,45 5.054,46 3.607,47 3.907,48 5.617,49 3.769,50 4.655,51 4.915,52 3.514,53 3.8,54 5.443,55 3.662,56 0.009,57 0.851,58 11.525,59 4.805,60 6.426,61 6.505,62 0.252,63 1.402,64 22.887,65 7.815,66 23.876,67 11.022,68 0.508,69 1.712,70 30.963,71 10.265,72 47.881,73 14.593,74 0.24,75 1.724,76 32.472,77 12.664,78 30.563,79 17.994,80 0.267,81 1.712,82 35.418,83 12.588,84 36.89,85 18.696,86 0.334,87 1.551,88 32.205,89 10.71,90 39.059,91 15.876,92 0.414,93 1.349,94 28.149,95 9.21,96 39.085,97 13.497,98 0.24,99 1.169,100 24.192,101 8.518,102 26.827,103 12.497,104 5,105 48,106 0.251,107 0.59,108 0.765,109 0.856,110 0.856,111 0.856,112 3.44,113 0.918,114 -3.28,115 -3.27,116 -3.13,119 41.8,120 1,121 1,125 6,140 6,141 2,142 3,143 1,144 1,147 1,156 1,169 6,171 1,172 9,174 1,176 1,178 7,181 2,182 5,184 1,186 2,189 3,192 2,193 8,197 2,199 2,203 8,211 1,215 5,218 1,222 1,225 3,226 3,233 2,236 1,237 1,244 3,249 3,252 1,256 6,259 1408,260 20.618,261 20.618,262 20.618,263 20.618,264 20.618,265 18.452,266 26.956,267 12.083,268 21.114,269 16.813,270 16.813,271 16.813,272 16.813,273 16.813,274 13.451,275 36.308,276 5.784,277 17.606,278 4.25,279 2.187,280 1.118,281 0.559,282 0.559,283 0.559,284 4.156,288 1,289 1,290 896,291 2.646,295 415.242,299 277.435,302 2.08,303 22.308,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64.5,315 399,316 4.551,317 3.653,318 6.695,319 4.105,320 3.139,321 4.474,322 2.03,323 10.856,324 3.035,325 4.302,326 3.28,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.857,335 3.041,336 5.807,337 3.583,338 2.652,339 3.249,340 0.8,341 8.003,342 2.469,343 3.69,344 2.884,345 5.381,346 3.394,347 2.434,348 2.963,349 0.8,350 7.044,351 2.35,352 3.527,353 2.674,354 5.206,355 3.252,356 2.29,357 2.734,358 0.141,359 6.561,360 2.178,361 3.417,362 2.501,363 4.961,364 3.051,365 2.067,366 2.642,368 5.782,369 2.025,370 3.309,371 2.249,372 4.95,373 2.959,374 2.008,375 2.467,377 5.722,378 1.896,379 3.028,380 1.978,381 4.559,382 2.564,383 1.599,384 2.243,386 4.493,387 1.544,388 2.885,389 1.651,390 4.387,391 2.507,392 1.567,393 2.01,395 4.277,396 1.467,397 2.774,398 1.476,399 4.036,400 2.396,401 1.418,402 1.842,404 3.466,405 1.382,406 2.262,407 1.347,408 3.414,409 1.967,410 1,411 1.178,413 2.275,414 0.965,415 2.06,416 1.146,417 3.381,418 1.864,419 0.909,420 1,422 2.106,423 0.863,424 2,425 0.943,426 3.322,427 1.746,428 0.809,429 0.989,431 1.92,432 0.752,433 1.731,434 0.82,435 3.194,436 1.545,437 0.596,438 0.663,440 1.45,441 0.562,442 1.227,443 0.634,444 2.665,445 0.838,446 -0.129,447 -0.149,449 -0.315,450 -0.124,451 14.167,452 0.472,453 0.691,454 0.023,455 39.75,456 1.325,457 19,458 0.633,459 20.75,460 0.692,461 24.91,462 0.83,463 32.033,464 0.582,465 27.963,466 0.932,467 7.782,468 0.259,469 6.871,470 0.229,471 0.059,473 0.339,479 0.812,480 1.47,481 0.773,482 1.154,483 0.585,484 0.985,485 1.07,486 1.13,487 0.898,488 0.932,489 0.607,490 0.886,491 1.102,492 0.95,493 1.088,494 0.929,495 0.98,496 0.981,497 0.643,498 1.129,499 1.032,500 1.21,501 0.517,502 1.19,503 0.615,504 1.012,505 0.916,506 1.024,507 0.613,508 1.011,509 0.877,510 0.997,511 1.043,512 1.021,513 0.807,514 1.044,515 0.983,516 0.914,517 1.135,518 0.997,519 1.067,520 1.072,521 0.738,522 1.064,523 1.003,524 1.095,525 0.798,526 1.09,527 6,528 0.128,529 3.333,530 1.5,531 1.836,532 0.771,533 0.541,534 0.375,535 0.205,536 0.164,537 14312,538 35665,539 2.186,540 45.5,542 18,544 1,545 1,546 3,547 2,550 1.721,551 2.093,552 3.675,553 -0.349,554 1,555 1,559 84.227,560 1.531,561 3.595,562 4.663,563 5.222,564 5.222,565 5.222,566 3.099,567 4.348,568 4.881,569 3.866,570 1681.57,571 8.47,572 24384.8,574 1,576 1,577 317.975,578 1.231,579 4.859,580 0.176,581 0.006,582 0.069,583 0.031,584 0.045,585 0.021,586 0.017,587 0.014,588 0.008,589 0.007,590 0.394,591 0.33,592 0.88,593 0.424,594 157.186,595 -0.02,596 -0.273,597 0.079,598 -0.101,599 -0.005,600 -0.014,601 -0.035,602 0.001,603 0.04,604 0.042,605 0.074,606 0.052,607 -0.034,608 0.127,609 -0.125,610 0.035,611 -0.005,612 -0.037,613 0.028,614 -0.152,615 -0.099,616 -0.181,617 0.034,618 -0.167,619 0.02,620 -0.079,621 0.054,622 -0.026,623 0.025,624 0.014,625 -0.055,626 -0.039,627 -0.055,628 -0.054,629 -0.063,630 -0.053,631 -0.04,632 0.055,633 -0.139,634 -0.041,635 -0.142,636 -0.097,637 0.041,638 -0.123,639 -0.028,640 -0.102,641 -0.022,642 -0.08,643 1.759,644 4.532,645 0.867,646 30.596,647 1,648 1.128,649 2.051,650 4.207,651 0.665,652 3.555,653 3.892,654 4.174,655 4.454,656 4.745,657 4.779,658 4.875,659 5.017,660 5.112,661 5.094,662 7.823,663 0.633,664 403.53,665 3.555,666 5.106,667 5.964,668 6.845,669 7.716,670 8.6,671 9.476,672 10.361,673 11.239,674 12.124,675 9.1,678 1,681 1,682 1,685 2,687 2,688 7,689 2,693 5,695 17,709 1,712 1,714 55,716 18,717 2,718 34,720 59,721 23,722 14,723 6,724 6,730 5,731 7,736 1,743 1,745 15,746 8,750 1,755 1,759 1,761 1,764 25,765 7,766 1,767 7,773 5,777 0.6,778 2,787 1,793 5,797 2,805 1,815 1,819 3,823 1,827 30,833 7,834 1,835 1,838 2,847 3.6,850 1,852 1,854 14.333,855 10.217,856 6.444,857 3.413,858 3.482,859 1.419,860 1.02,861 5.278,862 11.788,863 3.795,864 4.394,865 4.965,866 5.552,867 6.138,868 6.37,869 6.667,870 7.003,871 7.266,872 7.111,873 0.889,874 49,875 11.105,877 4.76,878 7.594,879 21.683,881 18.254,883 2.094,884 62.833,887 1,888 282.506,889 118.078,890 57.83,892 36.145,895 118.078,896 318.651,897 57.83,898 8.825,899 35.666,900 56.857,901 75.192,902 47.283,904 270.735,906 282.506,907 175.908,908 36.145,911 261.292,912 59.687,915 58.807,916 81.202,917 33.571,919 282.506,920 93.975,921 118.078,924 282.506,925 43.348,926 80.979,927 18.011,928 69.716,929 282.506,930 93.975,931 118.078,933 0.586,934 0.34,935 0.187,936 0.11,937 25,938 10,939 0.068,940 4,941 2,942 1.154,943 4.318,944 270.078,945 0.154,946 26,947 143.207,951 19.286,952 8.211,953 4.144,954 2.126,955 93.975,956 14.306,957 8.954,961 4.766,963 18.011,964 494.559,965 43.5,970 11.532,974 -0.093,975 55,976 62.062,977 0.265,978 0.622,979 0.807,980 0.903,981 0.903,982 0.903,983 5.045,984 1.599,985 5.943,986 5.722,987 4.575,988 5.081,989 2.452,990 6.742,991 4.487,992 6.237,993 1.567,994 7.489,995 4.493,996 4.111,997 4.89,998 1.738,999 7.591,1000 3.991,1001 7.54,1002 1.418,1003 9.131,1004 4.277,1005 6.159,1006 7.271,1007 3.301,1008 10.686,1009 5.986,1010 8.873,1011 1,1012 10.83,1013 3.466,1014 6.494,1015 7.909,1016 3.226,1017 12.378,1018 6.289,1019 10.239,1020 0.909,1021 12.567,1022 2.275,1023 8.005,1024 9.784,1025 4.5,1026 14.991,1027 7.754,1028 11.628,1029 0.809,1030 14.331,1031 2.106,1032 8.731,1033 10.838,1034 4.754,1035 17.056,1036 8.448,1037 13.035,1038 0.596,1039 16.116,1040 1.92,1041 10.011,1042 12.496,1043 5.815,1044 19.503,1045 9.688,1046 3.139,1047 -0.129,1048 17.918,1049 1.45,1050 10.936,1051 13.766,1052 6.249,1053 21.736,1054 10.581,1055 2.961,1056 10.856,1057 19.733,1058 -0.315,1059 12.116,1060 15.325,1061 7.175,1062 24.126,1063 11.725,1064 2.652,1065 9.342,1066 21.559,1067 4.474,1068 13.141,1069 16.703,1070 7.714,1071 26.433,1072 12.718,1073 2.434,1074 8.003,1075 23.395,1076 3.93,1077 14.281,1078 18.219,1079 8.557,1080 28.807,1081 13.824,1082 2.29,1083 7.044,1084 25.239,1085 3.249,1086 15.355,1087 19.652,1088 9.16,1089 31.149,1090 14.866,1091 2.067,1092 6.561,1093 27.09,1094 2.963,1095 16.48,1096 21.15,1097 9.952,1098 33.52,1099 15.96,1100 2.008,1101 5.782,1102 28.947,1103 2.734,1104 17.579,1105 22.61,1106 10.594,1107 35.879,1108 17.027,1109 13038,1110 20736,1111 23.463,1112 36.552,1113 50.961,1114 52.293,1115 51.952,1116 50.865,1117 50.897,1118 64.767,1119 9.327,1120 146.593,1121 48.667,1122 5.551,1123 5.653,1124 6.215,1125 5.213,1126 5.139,1127 7.474,1128 3.634,1129 18.031,1130 5.035,1131 10.746,1132 1.499,1133 1.538,1134 1.528,1135 1.496,1136 1.497,1137 1.905,1138 0.274,1139 4.312,1140 1.431,1141 4.084,1142 4.123,1143 4.046,1144 3.987,1145 7.429,1146 3.996,1147 3.978,1148 4.004,1149 3.928,1150 3.885,1151 5.056,1152 3.89,1153 3.786,1154 3.855,1155 3.68,1156 3.589,1157 4.846,1158 3.601,1159 3.55,1160 3.595,1161 3.464,1162 3.35,1163 4.499,1164 3.37,1165 3.473,1166 3.531,1167 3.378,1168 3.31,1169 4.342,1170 3.32,1171 3.28,1172 3.346,1173 3.145,1174 3.108,1175 4.248,1176 3.107,1177 3.111,1178 3.206,1179 2.932,1180 2.941,1181 4.013,1182 2.923,1183 3.07,1184 3.145,1185 2.866,1186 2.936,1187 3.883,1188 2.91,1189 0.134,1190 0.107,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.653,1197 0.06,1198 6.695,1199 0.319,1200 4.105,1201 0.089,1202 3.139,1203 4.474,1204 2.03,1205 10.856,1206 3.035,1207 2.023,1208 1.994,1209 2.103,1210 2.142,1211 1.354,1212 2.133,1213 1.937,1214 1.913,1215 2.045,1216 2.059,1217 1.223,1218 2.054,1219 1.736,1220 1.668,1221 1.926,1222 1.953,1223 1.125,1224 1.948,1225 1.484,1226 1.436,1227 1.7,1228 1.711,1229 0.9,1230 1.707,1231 1.441,1232 1.384,1233 1.669,1234 1.634,1235 0.825,1236 1.649,1237 1.262,1238 1.2,1239 1.514,1240 1.472,1241 0.737,1242 1.491,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.692,1248 1.429,1249 1.085,1250 1.018,1251 1.355,1252 1.281,1253 0.396,1254 1.315,1255 4.234,1257 5.565,1259 7.098,1261 8.723,1263 10.395,1265 1.925,1271 6.062,1272 2.886,1273 5.439,1276 4.931,1280 34.805,1281 84.227,1282 197.717,1283 256.491,1284 287.22,1285 287.22,1286 287.22,1287 39.638,1288 8.306,1289 70.59,1290 70.59,1291 30,1292 12.657,1293 4.248,1294 3.392,1295 41.999,1296 145,1297 118,1298 0.141,1299 210.045,1300 360.78,1301 504.269,1302 56502,1304 20.501,1305 0.683,1306 0.57,1307 20.501,1308 17.097,1309 14.653,1310 0.431,1311 0.306,1312 10.253,1313 14.053,1314 10.021,1315 8.224,1316 14.653,1317 10.409,1318 13.413,1319 0.279,1320 0.164,1321 13.413,1322 7.873,1323 11.43,1324 0.179,1325 0.091,1326 11.43,1327 5.829,1328 9.697,1329 0.114,1330 0.049,1331 9.697,1332 4.193,1333 8.473,1334 0.074,1335 0.027,1336 8.473,1337 3.098,1338 0.229,1339 91.862,1340 0.206,1341 28.881,1342 0.366,1343 164,1344 448.384,1345 180.137,1346 431.43,1347 600.51,1348 408,1349 194,1350 449.556,1351 211.082,1352 453.291,1353 665.96,1354 428,1355 9.5} {0 CHEMBL489393,1 1.447,2 13.5,3 3.881,4 15.064,5 127.198,6 6.945,7 0.472,8 4.219,9 4.345,10 3.746,11 3.753,12 5.209,13 3.723,14 4.804,15 4.998,16 4.115,17 4.158,18 5.735,19 4.112,20 5.066,21 5.284,22 4.215,23 4.354,24 6.007,25 4.277,26 5.135,27 5.357,28 4.114,29 4.407,30 5.997,31 4.279,32 5.22,33 5.485,34 4.004,35 4.375,36 6.015,37 4.22,38 5.122,39 5.392,40 3.853,41 4.244,42 5.888,43 4.08,44 4.98,45 5.253,46 3.689,47 4.084,48 5.734,49 3.914,50 4.862,51 5.15,52 3.618,53 3.952,54 5.573,55 3.795,56 0.033,57 0.917,58 13.847,59 5.746,60 7.044,61 7.955,62 0.273,63 1.539,64 26.938,65 9.173,66 21.743,67 13.311,68 0.534,69 1.914,70 35.938,71 12.175,72 45.069,73 17.619,74 0.262,75 1.977,76 37.843,77 15.042,78 36.376,79 21.21,80 0.365,81 2.038,82 42.824,83 15.776,84 47.539,85 22.845,86 0.374,87 1.843,88 39.066,89 14.041,90 40.36,91 20.458,92 0.38,93 1.604,94 33.98,95 11.943,96 37.784,97 17.611,98 0.318,99 1.413,100 30.417,101 10.412,102 29.159,103 15.623,104 11,105 51,106 0.232,107 0.531,108 0.736,109 0.857,110 0.857,111 0.857,112 3.502,113 0.96,114 -3.85,115 -3.81,116 -3.62,119 41.9,120 2,121 1,125 7,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 10,178 9,181 3,182 9,189 6,192 1,193 10,199 6,203 8,211 4,214 1,215 6,222 3,225 2,226 4,233 2,236 1,237 2,244 4,248 1,249 2,256 8,259 1672,260 22.041,261 22.041,262 22.041,263 22.041,264 22.041,265 19.924,266 29.164,267 12.799,268 22.554,269 17.701,270 17.701,271 17.701,272 17.701,273 17.701,274 14.381,275 38.426,276 5.973,277 18.489,278 4.507,279 2.639,280 1.363,281 0.605,282 0.605,283 0.605,284 4.215,288 1,289 1,290 960,291 2.915,295 447.795,299 299.052,302 2.125,303 21.901,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 432,316 4.551,317 3.806,318 6.695,319 4.109,320 3.141,321 4.474,322 2.055,323 10.856,324 3.046,325 4.413,326 3.28,327 6.679,328 4.09,329 3.138,330 3.991,331 0.933,332 10.757,333 2.983,334 3.859,335 3.051,336 5.808,337 3.596,338 2.657,339 3.249,340 0.8,341 8.004,342 2.507,343 3.801,344 2.885,345 5.652,346 3.48,347 2.5,348 3.092,349 0.8,350 7.45,351 2.436,352 3.547,353 2.675,354 5.368,355 3.298,356 2.352,357 2.743,358 0.51,359 6.942,360 2.22,361 3.439,362 2.501,363 5.186,364 3.093,365 2.124,366 2.707,368 6.415,369 2.055,370 3.31,371 2.37,372 4.959,373 2.979,374 2.021,375 2.468,377 5.727,378 1.931,379 3.028,380 2.247,381 4.648,382 2.683,383 1.733,384 2.243,386 4.718,387 1.628,388 2.992,389 1.652,390 4.558,391 2.574,392 1.597,393 2.098,395 4.49,396 1.559,397 2.774,398 1.489,399 4.036,400 2.398,401 1.418,402 1.842,404 3.466,405 1.386,406 2.344,407 1.464,408 3.706,409 2.031,410 1.054,411 1.305,413 2.48,414 1.026,415 2.259,416 1.163,417 3.414,418 1.967,419 1,420 1.173,422 2.275,423 0.965,424 2,425 1.146,426 3.379,427 1.863,428 0.885,429 1,431 2.07,432 0.863,433 1.933,434 0.942,435 3.271,436 1.709,437 0.744,438 0.847,440 1.725,441 0.713,442 1.692,443 0.81,444 2.997,445 1.474,446 0.527,447 0.584,449 1.068,450 0.494,451 15.267,452 0.477,453 0.725,454 0.023,455 40.5,456 1.266,457 19,458 0.594,459 21.5,460 0.672,461 29.473,462 0.921,463 34.533,464 0.557,465 29.461,466 0.921,467 7.837,468 0.245,469 7.781,470 0.243,471 0.087,473 0.341,479 0.785,480 1.48,481 0.824,482 1.186,483 0.59,484 1.035,485 1.139,486 1.136,487 0.914,488 0.915,489 0.636,490 0.878,491 1.113,492 0.91,493 1.033,494 0.882,495 0.938,496 0.922,497 0.813,498 1.181,499 1.083,500 1.226,501 0.875,502 1.199,503 0.897,504 1.006,505 1.019,506 1.037,507 0.991,508 1.044,509 0.926,510 1.018,511 1.063,512 1.056,513 0.78,514 1.074,515 0.865,516 1.043,517 1.079,518 1.065,519 0.964,520 1.094,521 0.774,522 0.941,523 0.914,524 0.915,525 0.72,526 0.923,527 6,528 0.148,529 4,530 1.938,531 2.107,532 0.979,533 0.581,534 0.438,535 0.254,536 0.174,537 16502,538 37297,539 2.154,540 48.4,542 22,546 3,547 5,550 1.738,551 2.043,552 3.68,553 -0.805,555 1,559 89.742,560 1.447,561 3.315,562 4.591,563 5.349,564 5.349,565 5.349,566 3.102,567 4.625,568 4.976,569 3.899,570 1933.66,571 8.662,572 29417.4,574 1,577 369.16,578 1.317,579 4.943,580 0.167,581 0.006,582 0.078,583 0.035,584 0.044,585 0.023,586 0.017,587 0.015,588 0.009,589 0.006,590 0.4,591 0.5,592 0.88,593 0.633,594 170.924,595 0.024,596 -0.28,597 0.087,598 -0.107,599 -0.005,600 -0.021,601 -0.037,602 0.007,603 0.065,604 0.065,605 0.042,606 0.078,607 0.016,608 0.187,609 -0.044,610 0.085,611 0.043,612 0.031,613 -0.023,614 -0.173,615 -0.138,616 -0.195,617 -0.008,618 -0.185,619 -0.056,620 -0.057,621 -0.047,622 -0.044,623 -0.058,624 -0.045,625 -0.051,626 -0.067,627 -0.083,628 -0.078,629 -0.057,630 -0.085,631 0.006,632 -0.084,633 -0.096,634 -0.099,635 -0.099,636 -0.112,637 0.048,638 0.007,639 0.074,640 0.04,641 0.017,642 0.058,643 1.632,644 5.135,645 0.813,646 33.25,647 0.993,648 1.126,649 2.621,650 6.871,651 0.659,652 3.611,653 3.951,654 4.263,655 4.543,656 4.82,657 4.868,658 4.97,659 5.1,660 5.193,661 5.193,662 8.075,663 0.619,664 430.6,665 3.611,666 5.165,667 6.033,668 6.921,669 7.803,670 8.693,671 9.579,672 10.47,673 11.358,674 12.249,675 6.5,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 62,716 18,717 2,718 36,720 66,721 26,722 15,723 6,724 6,730 5,731 7,736 2,743 1,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 2,827 32,833 8,835 1,838 3,847 3.2,850 1,852 1,854 15.667,855 11.8,856 7,857 4.065,858 3.48,859 1.411,860 1.006,861 6.03,862 11.957,863 3.839,864 4.431,865 5.019,866 5.602,867 6.177,868 6.418,869 6.725,870 7.051,871 7.306,872 7.173,873 0.889,874 55,875 11.882,877 5.059,878 7.526,879 23.411,881 19.717,883 2.026,884 64.833,887 1,888 353.133,889 139.343,890 26.158,892 36.145,895 139.343,896 389.278,897 26.158,898 17.65,899 22.885,900 75.81,901 46.635,902 38.665,904 353.133,906 353.133,907 165.501,908 36.145,911 294.278,912 95,915 48.561,916 100.154,917 16.786,919 353.133,920 62.303,921 139.343,924 353.133,925 45.882,926 102.833,928 52.93,929 353.133,930 62.303,931 139.343,933 0.584,934 0.353,935 0.196,936 0.111,937 26,938 11,939 0.076,940 5,941 2,942 1.154,943 4.407,944 296.831,945 0.154,946 26,947 154,951 21.234,952 9.088,953 4.355,954 2.304,955 62.303,956 16.974,957 4.685,961 5.307,964 554.779,965 45.5,970 12.135,974 0.034,975 61.549,976 69.81,977 0.243,978 0.557,979 0.771,980 0.898,981 0.898,982 0.898,983 5.095,984 1.733,985 6.019,986 5.727,987 4.635,988 5.118,989 2.506,990 6.845,991 4.552,992 6.287,993 1.597,994 7.585,995 4.718,996 4.205,997 4.934,998 1.803,999 7.774,1000 4.078,1001 7.593,1002 1.418,1003 9.251,1004 4.49,1005 6.244,1006 7.305,1007 3.344,1008 10.882,1009 6.076,1010 8.933,1011 1.054,1012 10.975,1013 3.466,1014 6.635,1015 7.96,1016 3.307,1017 12.651,1018 6.421,1019 10.307,1020 1,1021 12.738,1022 2.48,1023 8.131,1024 9.821,1025 4.562,1026 15.283,1027 7.88,1028 11.704,1029 0.885,1030 14.529,1031 2.275,1032 8.91,1033 10.887,1034 4.855,1035 17.405,1036 8.615,1037 13.12,1038 0.744,1039 16.34,1040 2.07,1041 10.185,1042 12.536,1043 5.901,1044 19.876,1045 9.855,1046 3.141,1047 0.527,1048 18.167,1049 1.725,1050 11.154,1051 13.81,1052 6.37,1053 22.148,1054 10.78,1055 3.138,1056 10.856,1057 20.007,1058 1.068,1059 12.34,1060 15.364,1061 7.287,1062 24.561,1063 11.93,1064 2.657,1065 10.757,1066 21.856,1067 4.474,1068 13.398,1069 16.744,1070 7.856,1071 26.895,1072 12.946,1073 2.5,1074 8.004,1075 23.715,1076 3.991,1077 14.55,1078 18.257,1079 8.696,1080 29.287,1081 14.062,1082 2.352,1083 7.45,1084 25.58,1085 3.249,1086 15.651,1087 19.689,1088 9.324,1089 31.647,1090 15.122,1091 2.124,1092 6.942,1093 27.451,1094 3.092,1095 16.792,1096 21.185,1097 10.117,1098 34.032,1099 16.226,1100 2.021,1101 6.415,1102 29.327,1103 2.743,1104 17.913,1105 22.644,1106 10.781,1107 36.403,1108 17.307,1109 15190,1110 22978,1111 24.561,1112 40.83,1113 53.97,1114 55.21,1115 55.713,1116 53.773,1117 53.78,1118 67.631,1119 10.197,1120 156.883,1121 51.62,1122 5.551,1123 5.806,1124 6.215,1125 5.216,1126 5.141,1127 7.474,1128 3.661,1129 18.031,1130 5.046,1131 13.605,1132 1.499,1133 1.534,1134 1.548,1135 1.494,1136 1.494,1137 1.879,1138 0.283,1139 4.358,1140 1.434,1141 4.097,1142 4.131,1143 4.054,1144 4.016,1145 7.427,1146 4.021,1147 3.993,1148 4.019,1149 3.945,1150 3.896,1151 4.984,1152 3.903,1153 3.794,1154 3.862,1155 3.687,1156 3.601,1157 4.833,1158 3.612,1159 3.603,1160 3.656,1161 3.508,1162 3.434,1163 4.444,1164 3.441,1165 3.51,1166 3.563,1167 3.404,1168 3.397,1169 4.327,1170 3.394,1171 3.366,1172 3.435,1173 3.184,1174 3.181,1175 4.237,1176 3.17,1177 3.269,1178 3.332,1179 3.119,1180 3.08,1181 4.094,1182 3.081,1183 3.111,1184 3.206,1185 2.935,1186 2.948,1187 3.954,1188 2.933,1189 0.126,1190 0.106,1191 0.186,1192 0.114,1193 0.087,1194 4.551,1195 0.124,1196 3.806,1197 0.057,1198 6.695,1199 0.302,1200 4.109,1201 0.085,1202 3.141,1203 4.474,1204 2.055,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.359,1212 2.144,1213 1.946,1214 1.922,1215 2.055,1216 2.072,1217 1.248,1218 2.065,1219 1.748,1220 1.679,1221 1.942,1222 1.962,1223 1.165,1224 1.961,1225 1.567,1226 1.511,1227 1.818,1228 1.767,1229 1.027,1230 1.784,1231 1.514,1232 1.463,1233 1.731,1234 1.661,1235 0.853,1236 1.687,1237 1.359,1238 1.291,1239 1.636,1240 1.59,1241 0.825,1242 1.611,1243 1.244,1244 1.185,1245 1.513,1246 1.466,1247 0.802,1248 1.483,1249 1.153,1250 1.064,1251 1.504,1252 1.376,1253 0.685,1254 1.429,1255 4.29,1257 5.624,1259 7.168,1261 8.808,1263 10.496,1265 4.046,1271 6.917,1273 5.597,1276 6.834,1280 38.364,1281 89.742,1282 205.543,1283 284.631,1284 331.65,1285 331.65,1286 331.65,1287 45.447,1288 8.477,1289 48.91,1290 48.91,1291 30,1292 12.778,1293 4.248,1294 3.392,1295 46.12,1296 160,1297 136,1298 0.14,1299 232.027,1300 401.68,1301 557.907,1302 69206,1304 22.079,1305 0.69,1306 0.59,1307 22.079,1308 18.881,1309 15.619,1310 0.434,1311 0.32,1312 11.371,1313 15.052,1314 11.064,1315 9.114,1316 15.619,1317 11.519,1318 14.025,1319 0.275,1320 0.169,1321 14.025,1322 8.604,1323 12.348,1324 0.176,1325 0.094,1326 12.348,1327 6.56,1328 10.531,1329 0.113,1330 0.051,1331 10.531,1332 4.766,1333 8.955,1334 0.073,1335 0.028,1336 8.955,1337 3.458,1338 0.228,1339 97.33,1340 0.202,1341 30.358,1342 0.365,1343 174,1344 444.052,1345 189.055,1346 428.216,1347 601.43,1348 406,1349 208,1350 454.359,1351 224.748,1352 458.318,1353 678.15,1354 434,1355 9.4} {0 CHEMBL489394,1 1.591,2 13.355,3 3.532,4 12.475,5 117.77,6 7.509,7 0.486,8 4.139,9 4.257,10 3.722,11 3.671,12 5.205,13 3.661,14 4.712,15 4.89,16 4.104,17 4.077,18 5.757,19 4.053,20 4.984,21 5.189,22 4.192,23 4.254,24 6.069,25 4.195,26 5.033,27 5.265,28 4.071,29 4.266,30 5.966,31 4.155,32 5.067,33 5.329,34 3.939,35 4.211,36 5.973,37 4.085,38 4.969,39 5.229,40 3.842,41 4.094,42 5.961,43 3.959,44 4.844,45 5.107,46 3.684,47 3.95,48 5.69,49 3.816,50 4.723,51 4.982,52 3.612,53 3.822,54 5.644,55 3.709,56 0.034,57 0.907,58 11.29,59 5.115,60 5.986,61 6.586,62 0.264,63 1.497,64 22.792,65 8.34,66 22.688,67 11.208,68 0.694,69 1.871,70 31.929,71 11.071,72 62.524,73 14.948,74 0.352,75 1.93,76 33.964,77 13.375,78 40.622,79 18.404,80 0.478,81 1.959,82 37.486,83 13.413,84 63.006,85 18.398,86 0.591,87 1.69,88 33.793,89 11.835,90 80.82,91 16.846,92 0.425,93 1.458,94 29.84,95 10.201,96 44.597,97 14.579,98 0.413,99 1.384,100 26.782,101 9.072,102 49.67,103 12.383,104 10,105 50,106 0.26,107 0.592,108 0.758,109 0.859,110 0.859,111 0.859,112 3.471,113 0.913,114 -3.81,115 -3.77,116 -3.58,119 42.9,120 1,121 1,125 6,140 7,141 2,142 4,144 2,156 1,169 7,172 7,174 1,176 1,178 8,181 2,182 7,184 1,186 1,189 4,192 1,193 7,197 2,199 5,203 5,211 2,215 6,218 1,222 1,225 2,226 4,233 2,236 1,244 4,249 2,252 1,256 8,259 1531,260 21.118,261 21.118,262 21.118,263 21.118,264 21.118,265 18.9,266 27.341,267 12.293,268 21.59,269 17.297,270 17.297,271 17.297,272 17.297,273 17.297,274 13.844,275 36.979,276 5.873,277 18.086,278 4.217,279 2.186,280 1.172,281 0.549,282 0.549,283 0.549,284 4.184,288 1,289 1,290 925,291 2.739,295 429.515,299 287.17,302 2.062,303 31.471,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 414,316 4.551,317 3.671,318 6.695,319 4.108,320 3.139,321 4.474,322 2.03,323 10.856,324 3.046,325 4.427,326 3.287,327 6.498,328 4.031,329 3.078,330 4.103,331 0.892,332 10.162,333 2.927,334 3.857,335 3.277,336 5.808,337 3.589,338 2.652,339 3.249,340 0.8,341 8.003,342 2.481,343 3.699,344 2.892,345 5.393,346 3.403,347 2.436,348 2.965,349 0.8,350 7.077,351 2.361,352 3.561,353 2.68,354 5.243,355 3.289,356 2.326,357 2.774,358 0.141,359 6.643,360 2.221,361 3.466,362 2.507,363 5.203,364 3.128,365 2.157,366 2.728,368 6.336,369 2.084,370 3.314,371 2.361,372 4.96,373 2.983,374 2.024,375 2.471,377 5.728,378 1.934,379 3.18,380 2.249,381 4.768,382 2.77,383 1.802,384 2.381,386 5.119,387 1.721,388 3.028,389 1.915,390 4.559,391 2.575,392 1.598,393 2.243,395 4.492,396 1.559,397 2.774,398 1.65,399 4.037,400 2.399,401 1.419,402 1.842,404 3.469,405 1.386,406 2.274,407 1.475,408 3.83,409 2.014,410 1.145,411 1.226,413 2.898,414 0.984,415 2.208,416 1.146,417 3.414,418 1.967,419 1,420 1.146,422 2.275,423 0.965,424 2,425 1.025,426 3.373,427 1.828,428 0.857,429 1,431 2.034,432 0.829,433 1.743,434 0.921,435 3.214,436 1.587,437 0.624,438 0.685,440 1.516,441 0.599,442 1.233,443 0.762,444 2.747,445 0.867,446 -0.08,447 -0.092,449 -0.202,450 -0.073,451 14.552,452 0.469,453 0.78,454 0.025,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 26.816,462 0.865,463 33.448,464 0.597,465 29.534,466 0.953,467 7.915,468 0.255,469 7.149,470 0.231,471 0.077,473 0.364,477 1,479 0.69,480 1.255,481 0.74,482 1.118,483 0.523,484 0.97,485 0.899,486 1.076,487 0.853,488 0.946,489 0.55,490 0.889,491 0.899,492 0.935,493 1.038,494 0.944,495 0.844,496 0.989,497 0.632,498 1.071,499 0.949,500 1.17,501 0.574,502 1.14,503 0.967,504 1.042,505 1.046,506 1.018,507 1.078,508 1.038,509 0.661,510 0.912,511 1.007,512 1.055,513 0.617,514 1.09,515 0.759,516 0.92,517 1.021,518 1.019,519 0.742,520 1.062,521 1.11,522 1.095,523 1.085,524 1.02,525 1.222,526 1.039,527 6.5,528 0.144,529 3.556,530 2.063,531 2.067,532 0.889,533 0.623,534 0.438,535 0.217,536 0.179,537 15261,538 40056,539 2.16,540 44.6,542 19,545 1,546 3,547 2,550 1.73,551 2.044,552 3.671,553 -0.361,555 1,559 89.076,560 1.591,561 3.622,562 4.635,563 5.258,564 5.258,565 5.258,566 3.079,567 4.607,568 4.93,569 3.869,570 1798.97,571 8.57,572 26618.5,574 1,576 1,577 325.212,578 1.332,579 4.896,580 0.186,581 0.006,582 0.071,583 0.04,584 0.046,585 0.023,586 0.018,587 0.015,588 0.008,589 0.007,590 0.42,591 0.5,592 0.88,593 0.486,594 163.787,595 -0.026,596 -0.182,597 0.066,598 -0.072,599 -0.017,600 -0.002,601 -0.051,602 -0.057,603 0.046,604 0.028,605 0.042,606 0.054,607 0.07,608 0.089,609 -0.093,610 0.018,611 0.035,612 -0.046,613 0.067,614 -0.139,615 -0.018,616 -0.154,617 0.064,618 -0.119,619 -0.078,620 -0.01,621 -0.054,622 -0.021,623 -0.091,624 -0.026,625 0.125,626 0.003,627 -0.029,628 -0.078,629 0.135,630 -0.084,632 -0.072,633 -0.043,634 -0.062,635 -0.048,636 -0.065,637 -0.068,638 -0.043,639 -0.067,640 -0.045,641 -0.106,642 -0.052,643 2.086,644 6.314,645 0.839,646 31.561,647 1.005,648 1.131,649 2.582,650 6.664,651 0.665,652 3.584,653 3.932,654 4.22,655 4.511,656 4.787,657 4.852,658 4.927,659 5.063,660 5.153,661 5.159,662 7.877,663 0.637,664 420.53,665 3.584,666 5.142,667 6.004,668 6.893,669 7.769,670 8.66,671 9.54,672 10.432,673 11.314,674 12.207,675 7.1,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 56,716 18,717 2,718 35,720 60,721 24,722 15,723 7,724 5,730 5,731 7,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,762 1,764 25,765 7,766 1,767 7,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 31,833 7,834 1,835 1,838 2,846 1,847 3.6,850 1,852 1,854 15.167,855 10.41,856 6.639,857 3.477,858 3.48,859 1.415,860 1.022,861 5.512,862 11.856,863 3.818,864 4.431,865 5.006,866 5.601,867 6.172,868 6.435,869 6.7,870 7.034,871 7.287,872 7.156,873 0.889,874 52,875 11.541,877 5.04,878 7.742,879 22.234,881 18.82,883 2.242,884 69.5,886 1,887 1,888 282.506,889 128.056,890 41.045,892 36.145,893 14.96,895 128.056,896 318.651,897 56.005,898 8.825,899 35.666,900 66.334,901 46.635,902 47.786,903 14.96,904 282.506,906 282.506,907 169.101,908 51.105,911 273.924,912 59.687,915 52.517,916 99.799,917 16.786,919 297.467,920 77.19,921 128.056,924 282.506,925 52.897,926 81.408,927 18.011,928 67.89,929 282.506,930 92.15,931 128.056,933 0.589,934 0.344,935 0.191,936 0.11,937 26,938 11,939 0.067,940 4,941 2,942 1.154,943 4.343,944 284.527,945 0.154,946 26,947 147.58,951 20.228,952 8.447,953 4.231,954 2.223,955 92.15,956 13.854,957 4.649,961 3.265,963 18.011,964 502.713,965 44.5,970 11.524,974 -0.251,975 56.294,976 63.319,977 0.274,978 0.624,979 0.798,980 0.905,981 0.905,982 0.905,983 5.077,984 1.802,985 5.994,986 5.728,987 4.615,988 5.118,989 2.452,990 6.81,991 4.528,992 6.279,993 1.598,994 7.553,995 5.119,996 4.205,997 4.987,998 1.738,999 7.695,1000 4.075,1001 7.591,1002 1.419,1003 9.208,1004 4.492,1005 6.217,1006 7.325,1007 3.301,1008 10.8,1009 6.046,1010 8.934,1011 1.145,1012 10.92,1013 3.469,1014 6.594,1015 8.009,1016 3.226,1017 12.519,1018 6.378,1019 10.309,1020 1,1021 12.67,1022 2.898,1023 8.085,1024 9.858,1025 4.5,1026 15.147,1027 7.833,1028 11.706,1029 0.857,1030 14.446,1031 2.275,1032 8.846,1033 10.944,1034 4.754,1035 17.231,1036 8.549,1037 13.122,1038 0.624,1039 16.243,1040 2.034,1041 10.118,1042 12.587,1043 5.815,1044 19.691,1045 9.788,1046 3.139,1047 -0.08,1048 18.056,1049 1.516,1050 11.071,1051 13.876,1052 6.249,1053 21.935,1054 10.697,1055 3.078,1056 10.856,1057 19.882,1058 -0.202,1059 12.252,1060 15.428,1061 7.175,1062 24.334,1063 11.845,1064 2.652,1065 10.162,1066 21.72,1067 4.474,1068 13.297,1069 16.816,1070 7.714,1071 26.646,1072 12.851,1073 2.436,1074 8.003,1075 23.566,1076 4.103,1077 14.443,1078 18.327,1079 8.557,1080 29.024,1081 13.963,1082 2.326,1083 7.077,1084 25.419,1085 3.249,1086 15.533,1087 19.763,1088 9.16,1089 31.366,1090 15.016,1091 2.157,1092 6.643,1093 27.279,1094 2.965,1095 16.667,1096 21.258,1097 9.952,1098 33.737,1099 16.116,1100 2.024,1101 6.336,1102 29.145,1103 2.774,1104 17.779,1105 22.718,1106 10.594,1107 36.093,1108 17.191,1109 13979,1110 22865,1111 23.868,1112 37.245,1113 52.564,1114 54.315,1115 53.989,1116 52.539,1117 52.515,1118 66.573,1119 9.327,1120 153.211,1121 50.195,1122 5.551,1123 5.671,1124 6.214,1125 5.217,1126 5.139,1127 7.474,1128 3.634,1129 18.031,1130 5.046,1131 13.223,1132 1.502,1133 1.552,1134 1.543,1135 1.501,1136 1.5,1137 1.902,1138 0.266,1139 4.377,1140 1.434,1141 4.096,1142 4.129,1143 4.054,1144 4.015,1145 8.201,1146 4.021,1147 3.986,1148 4.01,1149 3.949,1150 3.886,1151 7.429,1152 3.896,1153 3.791,1154 3.858,1155 3.684,1156 3.598,1157 4.983,1158 3.61,1159 3.557,1160 3.602,1161 3.472,1162 3.418,1163 4.766,1164 3.415,1165 3.5,1166 3.546,1167 3.401,1168 3.331,1169 4.444,1170 3.35,1171 3.292,1172 3.354,1173 3.174,1174 3.109,1175 4.325,1176 3.115,1177 3.111,1178 3.206,1179 2.958,1180 2.948,1181 4.227,1182 2.935,1183 3.085,1184 3.16,1185 2.866,1186 2.941,1187 3.954,1188 2.91,1189 0.13,1190 0.105,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.671,1197 0.058,1198 6.695,1199 0.31,1200 4.108,1201 0.087,1202 3.139,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.127,1210 2.147,1211 1.358,1212 2.144,1213 1.931,1214 1.909,1215 2.034,1216 2.061,1217 1.238,1218 2.05,1219 1.743,1220 1.676,1221 1.928,1222 1.956,1223 1.148,1224 1.952,1225 1.528,1226 1.481,1227 1.735,1228 1.715,1229 0.897,1230 1.715,1231 1.461,1232 1.418,1233 1.673,1234 1.647,1235 0.825,1236 1.665,1237 1.255,1238 1.197,1239 1.513,1240 1.475,1241 0.805,1242 1.482,1243 1.153,1244 1.064,1245 1.493,1246 1.376,1247 0.684,1248 1.429,1249 1.11,1250 1.037,1251 1.424,1252 1.303,1253 0.48,1254 1.349,1255 4.263,1257 5.602,1259 7.143,1261 8.778,1263 10.461,1265 2.014,1267 14.314,1271 5.2,1272 2.692,1273 5.199,1276 4.817,1280 35.693,1281 89.076,1282 202.812,1283 259.586,1284 294.457,1285 294.457,1286 294.457,1287 51.595,1288 8.376,1289 57.7,1290 57.7,1291 30,1292 12.736,1293 4.248,1294 3.392,1295 44.02,1296 151,1297 127,1298 0.142,1299 214.041,1300 373.15,1301 514.02,1302 60974,1303 1.8,1304 21.372,1305 0.689,1306 0.565,1307 20.501,1308 17.527,1309 15.064,1310 0.43,1311 0.304,1312 10.49,1313 14.427,1314 10.262,1315 8.411,1316 14.653,1317 10.654,1318 13.952,1319 0.279,1320 0.163,1321 13.413,1322 8.166,1323 11.821,1324 0.176,1325 0.09,1326 11.43,1327 6.003,1328 10.212,1329 0.113,1330 0.049,1331 9.697,1332 4.373,1333 8.641,1334 0.073,1335 0.027,1336 8.473,1337 3.212,1338 0.23,1339 94.738,1340 0.205,1341 29.578,1342 0.37,1343 170,1344 522.85,1345 188.192,1346 476.516,1347 650.24,1348 448,1349 202,1350 477.424,1351 221.434,1352 475.991,1353 702.01,1354 449,1355 9.699} {0 CHEMBL489408,1 1.486,2 14.333,3 4.453,4 19.825,5 115.543,6 6.926,7 0.375,8 4.166,9 4.278,10 3.662,11 3.658,12 5.214,13 3.633,14 4.748,15 4.932,16 3.955,17 4.029,18 5.722,19 3.982,20 4.979,21 5.182,22 4.085,23 4.203,24 5.997,25 4.127,26 5.059,27 5.27,28 4.031,29 4.237,30 6.051,31 4.131,32 5.127,33 5.37,34 3.992,35 4.231,36 6.085,37 4.109,38 5.077,39 5.313,40 3.934,41 4.186,42 6.025,43 4.064,44 5.049,45 5.295,46 3.8,47 4.115,48 5.966,49 3.971,50 4.997,51 5.286,52 3.609,53 3.962,54 5.945,55 3.791,56 0.015,57 0.853,58 13.432,59 6.157,60 8.308,61 7.872,62 0.343,63 1.366,64 26.49,65 9.651,66 35.487,67 12.699,68 0.596,69 1.619,70 33.787,71 12.346,72 57.705,73 16.679,74 0.441,75 1.673,76 36.334,77 13.625,78 61.173,79 18.595,80 0.618,81 1.761,82 39.963,83 14.109,84 75.21,85 19.652,86 0.606,87 1.736,88 38.111,89 13.518,90 71.279,91 18.54,92 0.57,93 1.676,94 37.241,95 13.078,96 64.645,97 18.016,98 0.688,99 1.538,100 36.515,101 12.021,102 103.818,103 17.129,104 28,105 42,106 0.243,107 0.526,108 0.75,109 0.813,110 0.826,111 0.843,112 3.44,113 0.976,114 -4.33,115 -4.27,116 -4.03,119 40,121 3,122 1,124 2,125 5,140 7,141 2,142 3,155 1,169 10,172 9,178 10,181 1,182 11,189 8,192 1,193 7,199 5,202 2,203 8,211 6,215 3,222 7,225 2,226 2,233 7,236 1,237 2,244 4,249 5,256 4,259 1596,260 20.731,261 20.731,262 20.731,263 20.731,264 20.731,265 19.189,266 26.953,267 12.476,268 21.368,269 15.602,270 15.602,271 15.602,272 15.602,273 15.602,274 13.113,275 32.451,276 5.668,277 16.432,278 4.421,279 2.693,280 1.324,281 0.938,282 0.858,283 0.758,284 4.125,288 1,289 1,290 900,291 3.674,295 340.027,302 2.244,303 33.389,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 66,315 430,316 4.474,317 3.757,318 6.741,319 4.139,320 3.15,321 4.112,322 1.277,323 10.93,324 3.125,325 4.038,326 3.183,327 6.042,328 3.694,329 2.728,330 3.635,331 0.86,332 8.564,333 2.63,334 3.899,335 2.93,336 5.501,337 3.626,338 2.647,339 3.149,340 0.86,341 7.393,342 2.587,343 3.547,344 2.817,345 5.361,346 3.345,347 2.406,348 2.778,349 0.86,350 6.941,351 2.248,352 3.412,353 2.518,354 5.136,355 3.109,356 2.154,357 2.523,358 0.8,359 6.232,360 2.045,361 3.102,362 2.415,363 5.056,364 2.864,365 1.92,366 2.195,368 5.834,369 1.808,370 2.917,371 2.03,372 4.25,373 2.472,374 1.53,375 2.086,377 3.643,378 1.439,379 2.541,380 1.972,381 3.74,382 2.364,383 1.439,384 1.524,386 2.921,387 1.304,388 2.5,389 1.726,390 3.449,391 2.049,392 1.064,393 1.5,395 2.351,396 1.031,397 2.371,398 1.233,399 3.414,400 2,401 1,402 1.273,404 2.275,405 1,406 2,407 1.215,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 1.911,416 1.077,417 3.236,418 1.744,419 0.8,420 0.863,422 1.731,423 0.747,424 1.794,425 1.001,426 2.923,427 1.475,428 0.559,429 0.658,431 1.012,432 0.503,433 1.557,434 1,435 2.709,436 1.322,437 0.416,438 0.464,440 0.689,441 0.374,442 1.328,443 0.798,444 2.45,445 1.047,446 0.23,447 0.246,449 0.336,450 0.184,451 14.019,452 0.467,453 0.516,454 0.017,455 33.75,456 1.125,457 15,458 0.5,459 18.75,460 0.625,461 28.177,462 0.939,463 34.581,464 0.576,465 26.266,466 0.876,467 6.894,468 0.23,469 7.762,470 0.259,471 0.115,473 0.278,474 1,479 0.709,480 1.263,481 0.824,482 1.283,483 0.55,484 1.115,485 1.179,486 0.95,487 1.015,488 0.937,489 0.846,490 0.929,491 0.858,492 0.906,493 0.967,494 1.015,495 0.785,496 1.007,497 0.808,498 1.006,499 1.02,500 1.177,501 0.899,502 1.155,503 0.814,504 0.908,505 0.956,506 0.998,507 0.872,508 1.011,509 0.922,510 1.021,511 1.048,512 1.067,513 0.944,514 1.085,515 0.948,516 1.062,517 1.101,518 1.101,519 1,520 1.136,521 0.843,522 0.942,523 0.95,524 0.917,525 1.035,526 0.95,527 5,528 0.14,529 3.333,530 1.563,531 1.698,532 1.035,533 0.484,534 0.403,535 0.271,536 0.151,537 12562,538 34531,539 2.032,540 50,542 23,546 1,547 6,550 1.724,551 1.915,552 3.748,553 -0.792,555 1,559 89.168,560 1.486,561 3.213,562 4.583,563 4.969,564 5.048,565 5.148,566 3.216,567 4.415,568 4.872,569 3.925,570 1707.3,571 8.477,572 24946.6,574 1,577 354.413,578 1.338,579 4.843,580 0.156,581 0.006,582 0.079,583 0.034,584 0.04,585 0.026,586 0.013,587 0.013,588 0.011,589 0.006,590 0.385,591 0.33,592 1,593 1.21,594 157.671,595 -0.005,596 -0.149,597 0.059,598 -0.109,599 -0.004,600 -0.029,601 -0.158,602 0.111,603 -0.042,604 0.096,605 -0.076,606 0.065,607 0.06,608 0.079,609 -0.009,610 0.007,611 0.046,612 -0.006,613 -0.001,614 -0.145,615 -0.086,616 -0.159,617 -0.011,618 -0.145,619 0.02,620 -0.055,621 -0.002,622 -0.021,623 0.006,624 -0.02,625 -0.012,626 -0.08,627 -0.082,628 -0.077,629 -0.033,630 -0.094,631 -0.039,632 -0.132,633 -0.132,634 -0.125,635 -0.072,636 -0.152,637 0.062,638 0.021,639 0.037,640 0.02,641 0.072,642 0.021,643 2.087,644 6.112,645 0.6,646 36.16,647 1.003,648 1.132,649 3.101,650 9.614,651 0.636,652 3.497,653 3.761,654 4.025,655 4.22,656 4.431,657 4.419,658 4.454,659 4.511,660 4.625,661 4.615,662 7.986,663 0.603,664 415.55,665 3.497,666 5.004,667 5.838,668 6.688,669 7.541,670 8.399,671 9.258,672 10.119,673 10.982,674 11.847,675 1.7,678 1,688 7,693 5,695 12,700 1,712 3,714 60,716 13,717 2,718 32,720 62,721 24,722 12,723 5,724 7,725 1,727 1,730 3,731 3,736 1,740 2,741 1,743 3,745 13,746 11,747 1,750 1,755 1,759 1,761 1,762 1,764 30,765 6,767 6,773 1,777 1,778 4,793 3,815 1,819 3,823 2,825 1,827 30,833 8,835 3,837 1,838 1,846 1,847 6.7,850 1,852 3,854 15.667,855 11.176,856 7.028,857 3.628,858 2.073,859 1.28,860 0.934,861 8.528,862 9.465,863 3.689,864 4.174,865 4.691,866 5.143,867 5.603,868 5.607,869 5.737,870 5.78,871 5.938,872 5.975,873 0.9,874 46,875 11.171,877 4.613,878 7.794,879 21.452,881 17.218,883 2.294,884 68.833,886 1,887 1,888 353.133,889 142.318,890 3.124,892 58.145,893 14.96,895 142.318,896 411.278,897 18.084,898 21.766,899 26.983,900 66.334,901 30.278,902 58.225,903 14.96,904 353.133,906 353.133,907 145.442,908 73.105,911 297.467,912 128.771,915 30.107,916 115.335,919 368.093,920 61.269,921 142.318,924 353.133,925 54.218,926 91.224,928 73.105,929 353.133,930 76.229,931 142.318,933 0.559,934 0.338,935 0.18,936 0.1,937 17,938 8,939 0.145,940 9,942 1,943 4.197,944 248.787,946 18,947 139.207,951 22.578,952 11.332,953 5.967,955 76.229,956 13.386,961 3.484,964 571.68,965 39,970 13.112,974 0.076,975 60.178,976 67.904,977 0.252,978 0.544,979 0.776,980 0.841,981 0.855,982 0.872,983 4.905,984 1.439,985 5.79,986 3.643,987 4.443,988 4.86,989 2.268,990 6.561,991 4.363,992 6.053,993 1.064,994 7.326,995 2.921,996 3.892,997 4.527,998 0.325,999 7.431,1000 3.806,1001 7.328,1002 1,1003 8.965,1004 2.351,1005 5.994,1006 6.927,1007 2.31,1008 10.509,1009 5.867,1010 8.641,1011 1,1012 10.667,1013 2.275,1014 6.312,1015 7.456,1016 0.268,1017 12.237,1018 6.186,1019 9.99,1020 0.8,1021 12.411,1022 2.275,1023 7.825,1024 9.315,1025 2.517,1026 14.843,1027 7.674,1028 11.363,1029 0.559,1030 14.184,1031 1.731,1032 8.55,1033 10.245,1034 0.188,1035 16.933,1036 8.402,1037 12.756,1038 0.416,1039 15.979,1040 1.012,1041 9.823,1042 11.876,1043 2.842,1044 19.391,1045 9.66,1046 3.15,1047 0.23,1048 17.791,1049 0.689,1050 10.749,1051 13.014,1052 0.125,1053 21.644,1054 10.589,1055 2.728,1056 10.93,1057 19.617,1058 0.336,1059 11.923,1060 14.535,1061 3.242,1062 24.054,1063 11.755,1064 2.647,1065 8.564,1066 21.454,1067 4.112,1068 12.95,1069 15.788,1070 0.082,1071 26.38,1072 12.783,1073 2.406,1074 7.393,1075 23.301,1076 3.635,1077 14.088,1078 17.252,1079 3.685,1080 28.775,1081 13.915,1082 2.154,1083 6.941,1084 25.157,1085 3.149,1086 15.166,1087 18.569,1088 0.054,1089 31.134,1090 14.993,1091 1.92,1092 6.232,1093 27.02,1094 2.778,1095 16.293,1096 20.004,1097 4.15,1098 33.525,1099 16.117,1100 1.53,1101 5.834,1102 28.889,1103 2.523,1104 17.397,1105 21.359,1106 0.035,1107 35.9,1108 17.22,1109 12347,1110 20594,1111 21.266,1112 38.182,1113 46.221,1114 48.442,1115 48.447,1116 45.966,1117 46.085,1118 56.011,1119 9.315,1120 126.251,1121 44.015,1122 5.474,1123 5.757,1124 6.604,1125 5.174,1126 5.15,1127 7.112,1128 2.555,1129 18.301,1130 5.125,1131 14.95,1132 1.444,1133 1.514,1134 1.514,1135 1.436,1136 1.44,1137 1.75,1138 0.291,1139 3.945,1140 1.375,1141 4.006,1142 4.036,1143 3.947,1144 3.909,1145 8.196,1146 3.914,1147 3.921,1148 3.941,1149 3.861,1150 3.849,1151 7.426,1152 3.848,1153 3.802,1154 3.847,1155 3.699,1156 3.668,1157 4.903,1158 3.667,1159 3.511,1160 3.569,1161 3.391,1162 3.289,1163 4.861,1164 3.298,1165 3.433,1166 3.49,1167 3.299,1168 3.244,1169 4.452,1170 3.247,1171 3.249,1172 3.315,1173 3.112,1174 3.012,1175 4.4,1176 3.027,1177 3.242,1178 3.3,1179 3.062,1180 2.961,1181 4.291,1182 2.972,1183 3.111,1184 3.206,1185 2.905,1186 2.941,1187 4.252,1188 2.91,1189 0.14,1190 0.117,1191 0.211,1192 0.129,1193 0.098,1194 4.474,1195 0.129,1196 3.757,1197 0.04,1198 6.741,1199 0.342,1200 4.139,1201 0.098,1202 3.15,1203 4.112,1204 1.277,1205 10.93,1206 3.125,1207 1.943,1208 1.919,1209 2.086,1210 2.075,1211 1.435,1212 2.08,1213 1.909,1214 1.888,1215 2.021,1216 2.006,1217 1.217,1218 2.009,1219 1.783,1220 1.737,1221 1.939,1222 1.936,1223 1.075,1224 1.938,1225 1.443,1226 1.386,1227 1.707,1228 1.707,1229 0.928,1230 1.706,1231 1.408,1232 1.346,1233 1.67,1234 1.626,1235 0.884,1236 1.641,1237 1.198,1238 1.131,1239 1.573,1240 1.513,1241 0.825,1242 1.533,1243 1.183,1244 1.113,1245 1.548,1246 1.476,1247 0.584,1248 1.5,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.574,1254 1.429,1255 4.174,1257 5.451,1259 6.938,1261 8.519,1263 10.148,1265 3.18,1267 12.463,1271 4.741,1273 16.017,1275 -0.035,1276 2.409,1280 36.166,1281 89.168,1282 192.804,1283 274.988,1284 298.149,1285 302.904,1286 308.904,1287 69.351,1288 7.392,1289 48,1290 48,1291 18,1292 12.394,1293 3.807,1294 3,1295 55.684,1296 143,1297 162,1298 0.188,1299 222.292,1300 398.63,1301 534.153,1302 17217,1303 1.7,1304 21.347,1305 0.712,1306 0.591,1307 20.64,1308 17.734,1309 14.656,1310 0.458,1311 0.325,1312 10.213,1313 13.906,1314 9.956,1315 8.223,1316 14.156,1317 10.412,1318 12.081,1319 0.288,1320 0.177,1321 11.728,1322 7.453,1323 10.505,1324 0.191,1325 0.102,1326 10.236,1327 5.617,1328 8.259,1329 0.123,1330 0.058,1331 8.164,1332 3.901,1333 6.656,1334 0.08,1335 0.034,1336 6.499,1337 2.814,1338 0.305,1339 93.324,1340 0.217,1341 28.992,1342 0.49,1343 148,1344 508.698,1345 164.152,1346 444.003,1347 585.69,1348 420,1349 171,1350 392.961,1351 187.508,1352 394.039,1353 573.27,1354 368,1355 5.843} {0 CHEMBL489453,1 1.455,2 16.846,3 3.885,4 15.096,5 155.584,6 6.841,7 0.455,8 4.434,9 4.572,10 3.937,11 3.962,12 5.42,13 3.928,14 5.023,15 5.218,16 4.315,17 4.416,18 5.949,19 4.352,20 5.324,21 5.548,22 4.344,23 4.605,24 6.21,25 4.493,26 5.439,27 5.702,28 4.316,29 4.617,30 6.349,31 4.47,32 5.376,33 5.646,34 4.24,35 4.507,36 6.242,37 4.373,38 5.245,39 5.498,40 4.223,41 4.409,42 6.184,43 4.303,44 5.18,45 5.422,46 4.183,47 4.325,48 6.208,49 4.231,50 5.137,51 5.388,52 4.029,53 4.242,54 6.125,55 4.135,56 0.072,57 1.182,58 17.704,59 6.91,60 10.778,61 9.943,62 0.336,63 1.963,64 33.517,65 12.021,66 29.158,67 17.762,68 0.392,69 2.434,70 46.322,71 16.93,72 50.622,73 24.599,74 0.565,75 2.555,76 52.945,77 19.66,78 88.995,79 28.991,80 0.475,81 2.356,82 50.382,83 17.615,84 65.674,85 26.01,86 0.422,87 2.155,88 43.862,89 14.564,90 53.589,91 21.753,92 0.477,93 1.991,94 41.323,95 13.185,96 66.74,97 19.683,98 0.521,99 1.856,100 40.147,101 12.458,102 60.064,103 18.366,104 17,105 63,106 0.222,107 0.541,108 0.689,109 0.707,110 0.707,111 0.707,112 3.693,113 0.962,114 -3.39,115 -3.37,116 -3.22,119 40.3,121 5,122 2,124 2,125 4,140 6,141 4,142 2,149 2,150 2,156 2,169 12,172 6,174 2,176 12,178 14,182 2,186 10,189 12,192 1,193 6,195 2,196 1,197 6,199 12,203 6,207 2,208 2,211 10,215 8,218 2,220 8,222 6,226 8,229 2,231 6,233 2,237 8,240 2,242 2,244 8,249 2,252 2,253 2,254 2,256 8,259 3068,260 26.496,261 26.496,262 26.496,263 26.496,264 26.496,265 23.977,266 36.29,267 15.412,268 26.895,269 21.75,270 21.75,271 21.75,272 21.75,273 21.75,274 17.748,275 47.744,276 7.392,277 22.344,278 4.812,279 2.724,280 1.754,281 1.63,282 1.63,283 1.63,284 4.408,289 1,290 1474,291 3.873,294 205.015,295 487.773,298 359.503,302 2.43,303 31.022,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 83,315 657,316 4.587,317 3.762,318 6.719,319 4.162,320 3.173,321 4.52,322 2.166,323 10.946,324 3.138,325 4.586,326 3.401,327 6.719,328 4.161,329 3.172,330 4.52,331 1.722,332 10.946,333 3.137,334 3.95,335 3.296,336 5.787,337 3.681,338 2.693,339 3.282,340 0.8,341 7.987,342 2.657,343 3.841,344 3.287,345 5.781,346 3.596,347 2.622,348 3.21,349 0.8,350 7.933,351 2.558,352 3.719,353 2.783,354 5.517,355 3.51,356 2.532,357 2.955,358 0.215,359 7.38,360 2.481,361 3.616,362 2.78,363 5.358,364 3.342,365 2.387,366 2.859,367 0.109,368 6.954,369 2.279,370 3.461,371 2.537,372 5.039,373 3.168,374 2.21,375 2.728,377 6.048,378 2.111,379 3.306,380 2.529,381 5.034,382 3.085,383 2.137,384 2.392,386 6.005,387 2.015,388 3.29,389 2.239,390 4.976,391 2.99,392 2.017,393 2.39,395 5.868,396 1.946,397 3.17,398 2.231,399 4.555,400 2.705,401 1.677,402 2.306,404 4.485,405 1.707,406 2.849,407 1.522,408 4.545,409 2.486,410 1.502,411 1.953,413 4.354,414 1.476,415 2.847,416 1.522,417 4.41,418 2.486,419 1.502,420 1.948,422 4.294,423 1.476,424 2.552,425 1.181,426 3.965,427 2.109,428 1.146,429 1.567,431 3.038,432 1.101,433 2.547,434 1.18,435 3.954,436 2.102,437 1.134,438 1.559,440 3.007,441 1.094,442 2.046,443 1.077,444 3.414,445 1.984,446 1,447 1,449 2.275,450 0.983,451 18.567,452 0.476,453 1.006,454 0.026,455 46,456 1.179,457 20,458 0.513,459 26,460 0.667,461 39.872,462 1.022,463 42.633,464 0.554,465 37.487,466 0.961,467 8.643,468 0.222,469 10.28,470 0.264,471 0.09,473 0.366,479 0.827,480 1.392,481 0.871,482 1.107,483 0.551,484 1.003,485 0.84,486 1.095,487 0.935,488 0.968,489 0.5,490 0.951,491 1.068,492 1.092,493 1.111,494 1.1,495 0.991,496 1.109,497 0.532,498 1.022,499 0.908,500 1.073,501 0.489,502 1.041,503 0.934,504 0.98,505 0.904,506 0.973,507 1.042,508 0.946,509 1.065,510 1.053,511 0.973,512 1.02,513 0.975,514 0.984,515 1.28,516 1.136,517 1.02,518 1.058,519 1.376,520 1.014,521 1.613,522 0.946,523 1.148,524 0.977,525 1.794,526 1.002,527 8.5,528 0.29,529 4.444,530 2.764,531 1.921,532 1.313,533 0.95,534 0.741,535 0.48,536 0.313,537 29510,538 59964,539 2.155,540 49.4,541 2,542 20,543 2,545 4,546 2,547 8,550 1.789,551 2.035,552 4.009,553 1.402,559 112.031,560 1.455,561 3.543,562 4.513,563 4.637,564 4.637,565 4.637,566 3.452,567 4.106,568 5.26,569 4.175,570 3093.32,571 9.243,572 55270.6,577 482.543,578 1.348,579 5.226,580 0.193,581 0.008,582 0.071,583 0.045,584 0.033,585 0.024,586 0.018,587 0.015,588 0.011,589 0.007,590 0.425,591 0.17,592 0.75,593 0.472,594 222.618,595 -0.042,596 -0.131,597 0.061,598 -0.005,599 -0.007,600 0.034,601 0.023,602 0.07,603 0.024,604 0.069,605 0.081,606 0.053,607 -0.142,608 -0.034,609 -0.145,610 -0.069,611 -0.073,612 -0.101,613 0.207,614 -0.057,615 0.052,616 -0.054,617 0.235,618 -0.024,619 0.025,620 -0.032,621 0.082,622 0.016,623 -0.01,624 0.048,625 -0.007,626 -0.037,627 0.023,628 -0.046,629 0.037,630 -0.01,631 0.015,632 -0.119,633 -0.004,634 -0.093,635 0.03,636 -0.054,637 -0.159,638 0.054,639 -0.113,640 -0.033,641 -0.153,642 -0.06,643 1.988,644 5.774,645 0.769,646 48.821,647 0.992,648 1.131,649 2.156,650 4.648,651 0.651,652 3.807,653 4.159,654 4.443,655 4.745,656 4.977,657 5.1,658 5.252,659 5.398,660 5.442,661 5.493,662 9.504,663 0.61,664 526.75,665 3.807,666 5.371,667 6.232,668 7.124,669 8.001,670 8.897,671 9.783,672 10.681,673 11.572,674 12.472,675 7.8,678 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,714 77,716 22,717 2,718 44,720 82,721 31,722 16,723 6,724 6,730 6,731 8,740 4,741 2,743 5,745 18,746 13,747 2,750 2,755 2,759 2,764 38,765 6,766 4,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,805 2,815 2,819 4,823 2,827 39,833 9,834 2,837 2,838 2,847 2.6,850 2,854 19.167,855 14.067,856 8.333,857 4.814,858 4.012,859 1.443,860 1.019,861 7.587,862 13.078,863 4.043,864 4.649,865 5.238,866 5.88,867 6.378,868 6.767,869 7.192,870 7.585,871 7.624,872 7.853,873 1,874 62,875 14.549,877 6.338,878 7.573,879 28.598,881 24.708,883 2.073,884 80.833,888 400.217,889 143.569,890 75.841,892 50.29,895 143.569,896 450.507,897 75.841,898 16.793,899 57.117,900 74.952,901 59.699,902 56.85,903 27.83,904 376.675,906 400.217,907 219.41,908 50.29,911 306.049,912 144.459,915 96.937,916 122.473,919 400.217,920 126.131,921 143.569,924 400.217,925 51.824,926 97.994,927 69.593,928 50.29,929 400.217,930 126.131,931 143.569,933 0.589,934 0.338,935 0.186,936 0.103,937 32,938 14,939 0.073,940 6,941 2,942 1.133,943 5.039,944 388.581,945 0.133,946 30,947 160.131,951 26.271,952 11.263,953 5.824,954 4.429,955 92.56,956 16.043,958 6.759,961 4.051,963 69.593,964 669.917,965 56,970 25.548,974 -0.643,975 76.403,976 87.052,977 0.232,978 0.565,979 0.72,980 0.74,981 0.74,982 0.74,983 5.308,984 2.137,985 6.225,986 6.048,987 4.844,988 5.338,989 2.769,990 7.041,991 4.797,992 6.508,993 2.017,994 7.784,995 6.005,996 4.443,997 5.215,998 2.262,999 7.928,1000 4.386,1001 7.818,1002 1.677,1003 9.437,1004 5.868,1005 6.447,1006 7.552,1007 3.782,1008 11.036,1009 6.362,1010 9.161,1011 1.502,1012 11.148,1013 4.485,1014 6.847,1015 8.303,1016 3.853,1017 12.781,1018 6.76,1019 10.538,1020 1.502,1021 12.897,1022 4.354,1023 8.324,1024 10.137,1025 5.066,1026 15.412,1027 8.215,1028 11.94,1029 1.146,1030 14.674,1031 4.294,1032 9.104,1033 11.303,1034 5.418,1035 17.531,1036 8.995,1037 13.363,1038 1.134,1039 16.473,1040 3.038,1041 10.37,1042 12.942,1043 6.456,1044 20.003,1045 10.244,1046 3.173,1047 1,1048 18.29,1049 3.007,1050 11.337,1051 14.301,1052 6.969,1053 22.282,1054 11.21,1055 3.172,1056 10.946,1057 20.121,1058 2.275,1059 12.519,1060 15.861,1061 7.904,1062 24.7,1063 12.379,1064 2.693,1065 10.946,1066 21.965,1067 4.52,1068 13.578,1069 17.305,1070 8.515,1071 27.045,1072 13.434,1073 2.622,1074 7.987,1075 23.819,1076 4.52,1077 14.73,1078 18.833,1079 9.386,1080 29.445,1081 14.575,1082 2.532,1083 7.933,1084 25.681,1085 3.282,1086 15.833,1087 20.314,1088 10.059,1089 31.818,1090 15.672,1091 2.387,1092 7.38,1093 27.55,1094 3.21,1095 16.977,1096 21.83,1097 10.891,1098 34.212,1099 16.806,1100 2.21,1101 6.954,1102 29.425,1103 2.955,1104 18.103,1105 23.327,1106 11.602,1107 36.596,1108 17.924,1109 26834,1110 38490,1111 29.937,1112 50.126,1113 66.998,1114 68.306,1115 68.501,1116 66.331,1117 66.394,1118 83.922,1119 11.625,1120 193.948,1121 64.78,1122 5.587,1123 5.762,1124 6.133,1125 5.213,1126 5.173,1127 7.52,1128 3.858,1129 18.077,1130 5.138,1131 17.58,1132 1.523,1133 1.552,1134 1.557,1135 1.508,1136 1.509,1137 1.907,1138 0.264,1139 4.408,1140 1.472,1141 4.17,1142 4.206,1143 4.124,1144 4.084,1145 7.444,1146 4.089,1147 4.123,1148 4.157,1149 4.082,1150 4.042,1151 7.413,1152 4.048,1153 3.82,1154 3.885,1155 3.708,1156 3.674,1157 4.98,1158 3.671,1159 3.804,1160 3.871,1161 3.682,1162 3.661,1163 4.948,1164 3.657,1165 3.701,1166 3.741,1167 3.63,1168 3.487,1169 4.386,1170 3.517,1171 3.479,1172 3.541,1173 3.405,1174 3.299,1175 4.374,1176 3.314,1177 3.363,1178 3.418,1179 3.262,1180 3.219,1181 4.315,1182 3.222,1183 3.225,1184 3.317,1185 3.076,1186 2.996,1187 4.289,1188 3.001,1189 0.104,1190 0.085,1191 0.153,1192 0.095,1193 0.072,1194 4.587,1195 0.103,1196 3.762,1197 0.049,1198 6.719,1199 0.249,1200 4.162,1201 0.071,1202 3.173,1203 4.52,1204 2.166,1205 10.946,1206 3.138,1207 1.968,1208 1.943,1209 2.085,1210 2.068,1211 1.443,1212 2.074,1213 1.962,1214 1.937,1215 2.083,1216 2.058,1217 1.443,1218 2.069,1219 1.827,1220 1.772,1221 1.988,1222 2.001,1223 1.146,1224 2.002,1225 1.822,1226 1.767,1227 1.979,1228 1.987,1229 1.138,1230 1.989,1231 1.557,1232 1.525,1233 1.709,1234 1.791,1235 0.873,1236 1.764,1237 1.463,1238 1.395,1239 1.665,1240 1.69,1241 0.825,1242 1.684,1243 1.461,1244 1.394,1245 1.663,1246 1.674,1247 0.825,1248 1.675,1249 1.213,1250 1.136,1251 1.513,1252 1.491,1253 0.808,1254 1.498,1255 4.489,1257 5.832,1258 3.045,1259 7.356,1260 5.416,1261 8.963,1262 7.535,1263 10.615,1265 4.336,1271 8.683,1272 5.856,1275 1.035,1276 4.736,1280 46.987,1281 112.031,1282 272.821,1283 347.523,1284 357.033,1285 357.033,1286 357.033,1287 68.85,1288 9.066,1289 96.26,1290 96.26,1291 34,1292 12.996,1293 4.524,1294 3.7,1295 55.552,1296 228,1297 214,1298 0.116,1299 283.257,1300 484.28,1301 682.907,1302 152442,1304 26.932,1305 0.691,1306 0.586,1307 26.932,1308 22.848,1309 18.924,1310 0.43,1311 0.321,1312 13.946,1313 18.292,1314 13.589,1315 11.218,1316 18.924,1317 14.116,1318 17.646,1319 0.28,1320 0.182,1321 17.646,1322 11.437,1323 14.763,1324 0.176,1325 0.103,1326 14.763,1327 8.633,1328 12.769,1329 0.112,1330 0.055,1331 12.769,1332 6.311,1333 10.27,1334 0.071,1335 0.032,1336 10.27,1337 4.644,1338 0.19,1339 117.816,1340 0.183,1341 35.87,1342 0.298,1343 214,1344 514.093,1345 229.475,1346 504.888,1347 698.7,1348 474,1349 254,1350 519.245,1351 269.312,1352 531.461,1353 776.06,1354 500,1355 8.469} {0 CHEMBL490211,1 1.5,2 12.69,3 3.155,4 9.951,5 113.647,6 7.33,7 0.515,8 4.083,9 4.203,10 3.656,11 3.627,12 5.114,13 3.61,14 4.651,15 4.827,16 4.014,17 4.037,18 5.642,19 4,20 4.924,21 5.134,22 4.073,23 4.207,24 5.892,25 4.128,26 4.967,27 5.208,28 3.916,29 4.185,30 5.798,31 4.059,32 4.961,33 5.234,34 3.809,35 4.12,36 5.753,37 3.98,38 4.851,39 5.106,40 3.684,41 4.032,42 5.648,43 3.882,44 4.79,45 5.058,46 3.537,47 3.897,48 5.57,49 3.736,50 4.636,51 4.922,52 3.432,53 3.711,54 5.408,55 3.571,56 0.017,57 0.798,58 11.056,59 4.743,60 6.367,61 6.315,62 0.249,63 1.337,64 21.717,65 7.809,66 21.301,67 10.709,68 0.454,69 1.657,70 30.142,71 10.712,72 43.924,73 14.939,74 0.227,75 1.681,76 32.055,77 11.962,78 31.401,79 17.123,80 0.321,81 1.64,82 33.178,83 11.646,84 36.631,85 17.085,86 0.245,87 1.449,88 29.146,89 11.031,90 31.177,91 15.718,92 0.299,93 1.33,94 28.189,95 10.069,96 35.784,97 14.572,98 0.299,99 1.145,100 24.678,101 8.067,102 30.064,103 11.993,104 2,105 46,106 0.248,107 0.574,108 0.73,109 0.846,110 0.859,111 0.865,112 3.408,113 0.921,114 -4.04,115 -3.99,116 -3.78,119 43.4,121 1,125 6,140 8,141 3,142 2,143 1,145 1,156 1,169 11,171 1,172 5,174 1,176 1,178 12,181 2,182 7,184 1,186 2,189 7,193 9,197 2,199 1,202 1,203 8,215 5,218 1,225 1,226 6,233 1,236 1,237 3,244 3,249 2,252 1,256 7,259 1288,260 20.17,261 20.17,262 20.17,263 20.17,264 20.17,265 18.03,266 24.531,267 11.947,268 20.594,269 16.329,270 16.329,271 16.329,272 16.329,273 16.329,274 13.038,275 34.837,276 5.705,277 17.007,278 4.228,279 2.254,280 1.306,281 0.604,282 0.528,283 0.491,284 4.126,288 1,289 1,290 831,291 2.55,295 398.324,299 265.955,302 2.019,303 20.049,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 368,316 4.533,317 3.653,318 6.689,319 4.09,320 3.126,321 4.447,322 2.03,323 10.829,324 3.025,325 4.302,326 3.272,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.775,335 3.04,336 5.773,337 3.562,338 2.62,339 3.072,340 0.8,341 7.857,342 2.462,343 3.68,344 2.861,345 5.375,346 3.372,347 2.394,348 2.962,349 0.8,350 7.011,351 2.34,352 3.468,353 2.598,354 5.2,355 3.198,356 2.243,357 2.645,358 0.141,359 6.536,360 2.133,361 3.362,362 2.46,363 4.952,364 3.029,365 2.038,366 2.475,368 5.776,369 1.999,370 3.118,371 1.978,372 4.617,373 2.606,374 1.618,375 2.427,377 4.575,378 1.597,379 2.885,380 1.682,381 4.387,382 2.529,383 1.581,384 2.01,386 4.277,387 1.498,388 2.856,389 1.618,390 4.037,391 2.504,392 1.558,393 1.958,395 3.617,396 1.466,397 2.738,398 1.348,399 3.584,400 2.227,401 1.26,402 1.828,404 2.796,405 1.214,406 2.212,407 1.263,408 3.414,409 1.967,410 1,411 1.113,413 2.275,414 0.965,415 2.057,416 1.146,417 3.348,418 1.858,419 0.895,420 1,422 2.062,423 0.856,424 2,425 0.923,426 3.279,427 1.727,428 0.77,429 0.979,431 1.822,432 0.732,433 1.73,434 0.773,435 3.174,436 1.538,437 0.586,438 0.658,440 1.423,441 0.555,442 1.227,443 0.629,444 2.627,445 0.833,446 -0.134,447 -0.156,449 -0.324,450 -0.128,451 13.767,452 0.475,453 0.585,454 0.02,455 38.75,456 1.336,457 19,458 0.655,459 19.75,460 0.681,461 22.974,462 0.792,463 30.633,464 0.578,465 26.857,466 0.926,467 7.645,468 0.264,469 6.614,470 0.228,471 0.024,473 0.312,479 0.806,480 1.392,481 0.774,482 1.105,483 0.564,484 0.958,485 1.086,486 1.072,487 0.956,488 0.94,489 0.636,490 0.92,491 0.991,492 1.001,493 1.05,494 0.981,495 0.915,496 1.01,497 0.771,498 1.168,499 1.036,500 1.138,501 0.567,502 1.125,503 0.72,504 0.888,505 0.967,506 0.93,507 0.668,508 0.962,509 0.736,510 1.038,511 1.053,512 1.125,513 0.73,514 1.133,515 0.823,516 1.073,517 1.047,518 1.081,519 0.958,520 1.098,521 0.858,522 0.894,523 0.939,524 0.871,525 0.831,526 0.899,527 5,528 0.111,529 3.111,530 1.313,531 1.564,532 0.632,533 0.42,534 0.313,535 0.193,536 0.128,537 13191,538 32098,539 2.215,540 45.3,542 20,544 1,545 1,547 2,550 1.712,551 2.148,552 3.617,553 -0.371,554 1,555 1,559 79.499,560 1.5,561 3.474,562 4.422,563 5.124,564 5.2,565 5.237,566 3.057,567 4.418,568 4.834,569 3.814,570 1548.32,571 8.372,572 21901.9,574 1,576 1,577 303.58,578 1.091,579 4.82,580 0.152,581 0.005,582 0.068,583 0.028,584 0.04,585 0.018,586 0.014,587 0.013,588 0.008,589 0.006,590 0.351,591 0.5,592 0.88,593 0.335,594 150.171,595 -0.015,596 -0.225,597 0.078,598 -0.076,599 0.004,600 -0.002,601 -0.044,602 0.058,603 -0.025,604 0.025,605 0.029,606 0.009,607 0.039,608 0.049,609 -0.089,610 -0.012,611 0.032,612 -0.057,613 -0.041,614 -0.187,615 -0.082,616 -0.146,617 0.014,618 -0.126,619 -0.018,620 0.083,621 0.015,622 0.04,623 0.001,624 0.038,625 -0.008,626 -0.094,627 -0.087,628 -0.125,629 -0.037,630 -0.12,631 0.012,632 -0.151,633 -0.053,634 -0.098,635 -0.086,636 -0.091,637 0.022,638 0.053,639 0.08,640 0.077,641 -0.012,642 0.089,643 1.757,644 4.518,645 0.897,646 28.842,647 0.998,648 1.124,649 2.81,650 7.897,651 0.671,652 3.526,653 3.85,654 4.143,655 4.419,656 4.7,657 4.71,658 4.812,659 4.956,660 5.056,661 5.011,662 7.608,663 0.637,664 388.51,665 3.526,666 5.069,667 5.927,668 6.804,669 7.675,670 8.554,671 9.429,672 10.309,673 11.186,674 12.067,675 7.5,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 53,716 18,717 2,718 33,720 57,721 23,722 15,723 5,724 7,730 5,731 7,743 1,745 16,746 7,750 1,755 1,759 1,761 1,764 24,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,827 29,833 7,834 1,835 1,838 2,847 3.8,850 1,852 1,854 13.5,855 9.433,856 6.278,857 3.285,858 3.463,859 1.422,860 1.029,861 5.087,862 11.67,863 3.773,864 4.357,865 4.933,866 5.512,867 6.081,868 6.27,869 6.58,870 6.908,871 7.178,872 6.966,873 1,874 47,875 10.74,877 4.617,878 7.575,879 21.038,881 17.812,883 2.075,884 60.167,887 1,888 270.735,889 125.877,890 41.045,892 36.145,895 125.877,896 306.88,897 41.045,899 35.666,900 75.81,901 58.406,902 42.628,903 2.328,904 258.964,906 270.735,907 166.922,908 36.145,911 247.193,912 59.687,915 47.838,916 102.299,917 16.786,919 270.735,920 77.19,921 125.877,924 270.735,925 41.02,926 91.106,927 18.011,928 52.93,929 270.735,930 77.19,931 125.877,933 0.581,934 0.341,935 0.19,936 0.11,937 24,938 9,939 0.07,940 4,941 2,942 1.154,943 4.266,944 257.568,945 0.154,946 26,947 136.881,951 18.408,952 8.014,953 3.933,954 2.463,955 77.19,956 18.497,957 4.657,961 3.844,963 18.011,964 473.802,965 42.5,970 11.518,974 -0.09,975 52.898,976 59.564,977 0.262,978 0.607,979 0.772,980 0.895,981 0.908,982 0.914,983 5.012,984 1.581,985 5.894,986 4.575,987 4.533,988 5.043,989 2.452,990 6.688,991 4.455,992 6.193,993 1.558,994 7.435,995 4.277,996 4.007,997 4.783,998 1.738,999 7.535,1000 3.898,1001 7.488,1002 1.26,1003 9.075,1004 3.617,1005 6.107,1006 7.219,1007 3.301,1008 10.639,1009 5.952,1010 8.816,1011 1,1012 10.775,1013 2.796,1014 6.415,1015 7.825,1016 3.226,1017 12.346,1018 6.225,1019 10.178,1020 0.895,1021 12.515,1022 2.275,1023 7.952,1024 9.729,1025 4.5,1026 14.956,1027 7.723,1028 11.565,1029 0.77,1030 14.283,1031 2.062,1032 8.668,1033 10.769,1034 4.754,1035 17.031,1036 8.403,1037 12.972,1038 0.586,1039 16.073,1040 1.822,1041 9.96,1042 12.439,1043 5.815,1044 19.474,1045 9.659,1046 3.126,1047 -0.134,1048 17.879,1049 1.423,1050 10.88,1051 13.701,1052 6.249,1053 21.71,1054 10.544,1055 2.961,1056 10.829,1057 19.698,1058 -0.324,1059 12.065,1060 15.265,1061 7.175,1062 24.098,1063 11.696,1064 2.62,1065 9.342,1066 21.528,1067 4.447,1068 13.088,1069 16.636,1070 7.714,1071 26.406,1072 12.684,1073 2.394,1074 7.857,1075 23.367,1076 3.93,1077 14.229,1078 18.152,1079 8.557,1080 28.778,1081 13.793,1082 2.243,1083 7.011,1084 25.213,1085 3.072,1086 15.301,1087 19.578,1088 9.16,1089 31.118,1090 14.831,1091 2.038,1092 6.536,1093 27.066,1094 2.962,1095 16.426,1096 21.073,1097 9.952,1098 33.487,1099 15.924,1100 1.618,1101 5.776,1102 28.924,1103 2.645,1104 17.522,1105 22.527,1106 10.594,1107 35.844,1108 16.988,1109 11940,1110 18772,1111 23.057,1112 35.546,1113 49.373,1114 50.598,1115 50.02,1116 49.277,1117 49.296,1118 63.004,1119 9.327,1120 140.398,1121 47.378,1122 5.533,1123 5.653,1124 6.378,1125 5.198,1126 5.126,1127 7.447,1128 3.634,1129 17.979,1130 5.025,1131 7.417,1132 1.496,1133 1.533,1134 1.516,1135 1.493,1136 1.494,1137 1.909,1138 0.283,1139 4.254,1140 1.436,1141 4.089,1142 4.122,1143 4.045,1144 4.017,1145 7.429,1146 4.019,1147 3.979,1148 4.005,1149 3.928,1150 3.887,1151 4.978,1152 3.892,1153 3.79,1154 3.856,1155 3.681,1156 3.601,1157 4.845,1158 3.611,1159 3.547,1160 3.588,1161 3.46,1162 3.346,1163 4.473,1164 3.368,1165 3.413,1166 3.469,1167 3.323,1168 3.274,1169 4.347,1170 3.278,1171 3.279,1172 3.343,1173 3.146,1174 3.113,1175 4.246,1176 3.112,1177 3.111,1178 3.206,1179 2.924,1180 2.941,1181 3.901,1182 2.91,1183 3.03,1184 3.087,1185 2.866,1186 2.914,1187 3.877,1188 2.908,1189 0.137,1190 0.111,1191 0.203,1192 0.124,1193 0.095,1194 4.533,1195 0.135,1196 3.653,1197 0.062,1198 6.689,1199 0.328,1200 4.09,1201 0.092,1202 3.126,1203 4.447,1204 2.03,1205 10.829,1206 3.025,1207 2.049,1208 2.025,1209 2.131,1210 2.142,1211 1.351,1212 2.14,1213 1.938,1214 1.914,1215 2.05,1216 2.059,1217 1.241,1218 2.056,1219 1.747,1220 1.678,1221 1.939,1222 1.955,1223 1.163,1224 1.955,1225 1.478,1226 1.435,1227 1.684,1228 1.707,1229 0.903,1230 1.702,1231 1.388,1232 1.338,1233 1.569,1234 1.56,1235 0.825,1236 1.565,1237 1.263,1238 1.203,1239 1.513,1240 1.467,1241 0.694,1242 1.487,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.571,1248 1.429,1249 1.025,1250 0.975,1251 1.236,1252 1.196,1253 0.397,1254 1.212,1255 4.205,1257 5.525,1259 7.055,1261 8.678,1263 10.348,1271 6.067,1272 2.886,1273 5.436,1276 4.89,1280 33.783,1281 79.499,1282 184.138,1283 234.361,1284 271.58,1285 275.58,1286 277.58,1287 37.229,1288 8.208,1289 57.7,1290 57.7,1291 30,1292 12.603,1293 4.248,1294 3.392,1295 39.991,1296 136,1297 110,1298 0.142,1299 203.25,1300 349.78,1301 487.691,1302 50301,1304 19.631,1305 0.677,1306 0.562,1307 19.631,1308 16.304,1309 14.259,1310 0.432,1311 0.307,1312 9.987,1313 13.731,1314 9.808,1315 8.038,1316 14.259,1317 10.128,1318 12.779,1319 0.278,1320 0.165,1321 12.779,1322 7.602,1323 11.094,1324 0.179,1325 0.092,1326 11.094,1327 5.718,1328 9.438,1329 0.115,1330 0.05,1331 9.438,1332 4.112,1333 8.229,1334 0.075,1335 0.028,1336 8.229,1337 3.038,1338 0.231,1339 89.09,1340 0.208,1341 28.075,1342 0.37,1343 158,1344 420.739,1345 172.083,1346 405.741,1347 564.86,1348 384,1349 187,1350 420.739,1351 202.416,1352 425.234,1353 625.9,1354 402,1355 9.6} {0 CHEMBL490417,1 1.481,2 13.3,3 3.327,4 11.066,5 117.553,6 7.188,7 0.5,8 4.131,9 4.253,10 3.685,11 3.673,12 5.148,13 3.651,14 4.703,15 4.885,16 4.054,17 4.079,18 5.681,19 4.04,20 4.969,21 5.18,22 4.112,23 4.257,24 5.94,25 4.178,26 5.019,27 5.257,28 3.958,29 4.269,30 5.831,31 4.132,32 5.042,33 5.314,34 3.863,35 4.215,36 5.806,37 4.061,38 4.953,39 5.22,40 3.753,41 4.096,42 5.743,43 3.944,44 4.836,45 5.103,46 3.605,47 3.952,48 5.625,49 3.799,50 4.696,51 4.966,52 3.513,53 3.827,54 5.462,55 3.68,56 0.025,57 0.837,58 12.004,59 5.084,60 6.466,61 6.869,62 0.231,63 1.4,64 23.426,65 8.295,66 22.042,67 11.65,68 0.5,69 1.743,70 31.935,71 11,72 47.394,73 15.551,74 0.234,75 1.759,76 33.677,77 13.318,78 29.946,79 18.901,80 0.258,81 1.75,82 35.688,83 13.285,84 34.551,85 19.448,86 0.296,87 1.597,88 32.788,89 11.803,90 35.622,91 17.176,92 0.366,93 1.409,94 29.477,95 10.178,96 36.637,97 14.835,98 0.264,99 1.223,100 25.493,101 8.976,102 27.118,103 13.171,104 5,105 48,106 0.242,107 0.566,108 0.745,109 0.859,110 0.859,111 0.859,112 3.44,113 0.931,114 -3.44,115 -3.42,116 -3.27,119 42.9,120 1,121 1,125 6,140 8,141 2,142 3,144 2,156 1,169 8,172 8,174 1,176 1,178 9,181 2,182 7,184 1,186 2,189 6,192 1,193 7,197 2,199 5,203 7,211 2,215 6,218 1,222 1,225 2,226 4,233 2,236 1,237 1,244 4,249 2,252 1,256 8,259 1408,260 20.618,261 20.618,262 20.618,263 20.618,264 20.618,265 18.452,266 26.956,267 12.083,268 21.045,269 16.813,270 16.813,271 16.813,272 16.813,273 16.813,274 13.451,275 36.308,276 5.784,277 17.502,278 4.326,279 2.341,280 1.25,281 0.549,282 0.549,283 0.549,284 4.156,288 1,289 1,290 896,291 2.646,295 415.242,299 277.435,302 2.08,303 20.766,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 399,316 4.551,317 3.653,318 6.695,319 4.108,320 3.139,321 4.474,322 2.03,323 10.856,324 3.046,325 4.302,326 3.28,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.857,335 3.041,336 5.807,337 3.588,338 2.652,339 3.249,340 0.8,341 8.003,342 2.48,343 3.69,344 2.884,345 5.381,346 3.399,347 2.434,348 2.963,349 0.8,350 7.044,351 2.357,352 3.527,353 2.674,354 5.206,355 3.259,356 2.29,357 2.734,358 0.141,359 6.561,360 2.2,361 3.417,362 2.501,363 4.961,364 3.057,365 2.067,366 2.642,368 5.782,369 2.037,370 3.309,371 2.249,372 4.95,373 2.975,374 2.008,375 2.467,377 5.722,378 1.93,379 3.028,380 1.978,381 4.559,382 2.575,383 1.599,384 2.243,386 4.493,387 1.559,388 2.885,389 1.651,390 4.387,391 2.507,392 1.567,393 2.01,395 4.277,396 1.467,397 2.774,398 1.476,399 4.036,400 2.398,401 1.418,402 1.842,404 3.466,405 1.385,406 2.262,407 1.347,408 3.414,409 1.967,410 1,411 1.178,413 2.275,414 0.965,415 2.06,416 1.146,417 3.381,418 1.877,419 0.909,420 1,422 2.106,423 0.876,424 2,425 0.943,426 3.322,427 1.761,428 0.809,429 0.989,431 1.92,432 0.764,433 1.731,434 0.82,435 3.194,436 1.548,437 0.596,438 0.663,440 1.45,441 0.564,442 1.227,443 0.634,444 2.665,445 0.842,446 -0.129,447 -0.149,449 -0.315,450 -0.124,451 14.267,452 0.476,453 0.691,454 0.023,455 39.25,456 1.308,457 19,458 0.633,459 20.25,460 0.675,461 25.238,462 0.841,463 31.933,464 0.57,465 27.635,466 0.921,467 7.696,468 0.257,469 6.957,470 0.232,471 0.058,473 0.336,479 0.805,480 1.396,481 0.795,482 1.12,483 0.588,484 0.978,485 1.09,486 1.151,487 0.916,488 0.945,489 0.608,490 0.902,491 1.091,492 0.956,493 1.094,494 0.944,495 0.972,496 0.995,497 0.662,498 1.121,499 1.031,500 1.169,501 0.518,502 1.155,503 0.602,504 0.995,505 0.935,506 1.02,507 0.602,508 1.017,509 0.787,510 1.026,511 1.028,512 1.061,513 0.748,514 1.072,515 0.922,516 0.986,517 1.089,518 1.02,519 1.002,520 1.067,521 0.772,522 1.013,523 0.989,524 1.02,525 0.796,526 1.027,527 6,528 0.128,529 3.333,530 1.5,531 1.836,532 0.771,533 0.541,534 0.375,535 0.205,536 0.164,537 14312,538 34111,539 2.186,540 46.4,542 20,545 1,546 3,547 2,550 1.721,551 2.093,552 3.675,553 -0.382,555 1,559 82.961,560 1.481,561 3.466,562 4.558,563 5.258,564 5.258,565 5.258,566 3.099,567 4.348,568 4.881,569 3.866,570 1681.57,571 8.47,572 24384.8,574 1,576 1,577 325.212,578 1.231,579 4.859,580 0.176,581 0.006,582 0.069,583 0.031,584 0.045,585 0.021,586 0.017,587 0.014,588 0.008,589 0.007,590 0.394,591 0.5,592 0.88,593 0.424,594 157.186,595 -0.008,596 -0.217,597 0.078,598 -0.073,599 -0.012,600 -0.001,601 -0.045,602 -0.023,603 0.032,604 0.031,605 0.063,606 0.042,607 -0.004,608 0.124,609 -0.124,610 0.018,611 0.007,612 -0.049,613 0.004,614 -0.145,615 -0.092,616 -0.151,617 0.025,618 -0.14,619 0.013,620 -0.048,621 0.027,622 -0.025,623 0.018,625 -0.017,626 -0.07,627 -0.052,628 -0.083,629 -0.04,630 -0.074,631 -0.016,632 -0.025,633 -0.096,634 -0.058,635 -0.109,636 -0.086,637 0.037,638 -0.06,639 -0.004,640 -0.047,641 -0.017,642 -0.033,643 1.755,644 4.535,645 0.867,646 30.596,647 0.996,648 1.125,649 2.209,650 4.881,651 0.666,652 3.555,653 3.892,654 4.174,655 4.454,656 4.745,657 4.779,658 4.875,659 5.017,660 5.112,661 5.094,662 7.823,663 0.631,664 402.54,665 3.555,666 5.106,667 5.964,668 6.845,669 7.716,670 8.6,671 9.476,672 10.361,673 11.239,674 12.124,675 7.1,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 56,716 18,717 2,718 34,720 60,721 24,722 15,723 6,724 6,730 5,731 7,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,764 26,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 30,833 7,834 1,835 1,838 2,847 3.6,850 1,852 1,854 14.333,855 10.35,856 6.444,857 3.49,858 3.482,859 1.419,860 1.022,861 5.32,862 11.788,863 3.795,864 4.394,865 4.965,866 5.552,867 6.138,868 6.37,869 6.667,870 7.003,871 7.266,872 7.111,873 0.889,874 49,875 11.116,877 4.765,878 7.561,879 21.813,881 18.446,883 2.061,884 61.833,886 1,887 1,888 294.278,889 128.412,890 41.045,892 36.145,895 128.412,896 330.422,897 41.045,898 8.825,899 35.666,900 75.81,901 46.635,902 38.665,904 294.278,906 294.278,907 169.457,908 36.145,911 270.735,912 59.687,915 52.517,916 100.154,917 16.786,919 294.278,920 77.19,921 128.412,924 294.278,925 43.776,926 90.884,927 18.011,928 52.93,929 294.278,930 77.19,931 128.412,933 0.586,934 0.34,935 0.187,936 0.11,937 25,938 10,939 0.067,940 4,941 2,942 1.154,943 4.318,944 270.078,945 0.154,946 26,947 141.207,951 19.347,952 8.249,953 4.167,954 2.299,955 77.19,956 16.775,957 4.672,961 5.098,963 18.011,964 499.879,965 43.5,970 11.535,974 -0.088,975 55.781,976 62.979,977 0.255,978 0.597,979 0.785,980 0.905,981 0.905,982 0.905,983 5.045,984 1.599,985 5.943,986 5.722,987 4.575,988 5.081,989 2.452,990 6.742,991 4.498,992 6.237,993 1.567,994 7.489,995 4.493,996 4.111,997 4.89,998 1.738,999 7.591,1000 4.001,1001 7.54,1002 1.418,1003 9.131,1004 4.277,1005 6.159,1006 7.271,1007 3.301,1008 10.686,1009 6.005,1010 8.873,1011 1,1012 10.83,1013 3.466,1014 6.494,1015 7.909,1016 3.226,1017 12.378,1018 6.304,1019 10.239,1020 0.909,1021 12.567,1022 2.275,1023 8.005,1024 9.784,1025 4.5,1026 14.991,1027 7.776,1028 11.628,1029 0.809,1030 14.331,1031 2.106,1032 8.731,1033 10.838,1034 4.754,1035 17.056,1036 8.467,1037 13.035,1038 0.596,1039 16.116,1040 1.92,1041 10.011,1042 12.496,1043 5.815,1044 19.503,1045 9.713,1046 3.139,1047 -0.129,1048 17.918,1049 1.45,1050 10.936,1051 13.766,1052 6.249,1053 21.736,1054 10.605,1055 2.961,1056 10.856,1057 19.733,1058 -0.315,1059 12.116,1060 15.325,1061 7.175,1062 24.126,1063 11.753,1064 2.652,1065 9.342,1066 21.559,1067 4.474,1068 13.141,1069 16.703,1070 7.714,1071 26.433,1072 12.746,1073 2.434,1074 8.003,1075 23.395,1076 3.93,1077 14.281,1078 18.219,1079 8.557,1080 28.807,1081 13.856,1082 2.29,1083 7.044,1084 25.239,1085 3.249,1086 15.355,1087 19.652,1088 9.16,1089 31.149,1090 14.899,1091 2.067,1092 6.561,1093 27.09,1094 2.963,1095 16.48,1096 21.15,1097 9.952,1098 33.52,1099 15.996,1100 2.008,1101 5.782,1102 28.947,1103 2.734,1104 17.579,1105 22.61,1106 10.594,1107 35.879,1108 17.065,1109 13038,1110 20288,1111 23.463,1112 37.307,1113 50.961,1114 52.293,1115 51.952,1116 50.871,1117 50.897,1118 64.767,1119 9.327,1120 146.593,1121 48.951,1122 5.551,1123 5.653,1124 6.215,1125 5.216,1126 5.139,1127 7.474,1128 3.634,1129 18.031,1130 5.046,1131 10.746,1132 1.499,1133 1.538,1134 1.528,1135 1.496,1136 1.497,1137 1.905,1138 0.274,1139 4.312,1140 1.44,1141 4.095,1142 4.129,1143 4.053,1144 4.015,1145 7.429,1146 4.021,1147 3.979,1148 4.005,1149 3.929,1150 3.886,1151 4.984,1152 3.891,1153 3.79,1154 3.858,1155 3.683,1156 3.599,1157 4.845,1158 3.609,1159 3.557,1160 3.602,1161 3.468,1162 3.418,1163 4.444,1164 3.415,1165 3.499,1166 3.545,1167 3.397,1168 3.331,1169 4.328,1170 3.35,1171 3.281,1172 3.347,1173 3.147,1174 3.11,1175 4.237,1176 3.109,1177 3.111,1178 3.206,1179 2.938,1180 2.948,1181 3.955,1182 2.934,1183 3.084,1184 3.159,1185 2.866,1186 2.941,1187 3.882,1188 2.91,1189 0.134,1190 0.107,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.653,1197 0.06,1198 6.695,1199 0.319,1200 4.108,1201 0.09,1202 3.139,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.938,1214 1.913,1215 2.049,1216 2.06,1217 1.24,1218 2.055,1219 1.744,1220 1.676,1221 1.935,1222 1.956,1223 1.151,1224 1.953,1225 1.528,1226 1.481,1227 1.736,1228 1.715,1229 0.904,1230 1.715,1231 1.461,1232 1.419,1233 1.674,1234 1.647,1235 0.825,1236 1.666,1237 1.263,1238 1.202,1239 1.514,1240 1.473,1241 0.805,1242 1.491,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.692,1248 1.429,1249 1.11,1250 1.038,1251 1.424,1252 1.303,1253 0.48,1254 1.349,1255 4.234,1257 5.565,1259 7.098,1261 8.723,1263 10.395,1265 2.036,1271 6.185,1272 2.891,1273 5.444,1276 4.986,1280 35.31,1281 82.961,1282 194.115,1283 255.238,1284 294.457,1285 294.457,1286 294.457,1287 39.527,1288 8.306,1289 57.7,1290 57.7,1291 30,1292 12.657,1293 4.248,1294 3.392,1295 41.999,1296 145,1297 118,1298 0.141,1299 212.843,1300 367.08,1301 511.096,1302 56502,1304 20.501,1305 0.683,1306 0.574,1307 20.501,1308 17.227,1309 14.653,1310 0.431,1311 0.31,1312 10.409,1313 14.123,1314 10.161,1315 8.349,1316 14.653,1317 10.549,1318 13.413,1319 0.279,1320 0.168,1321 13.413,1322 8.043,1323 11.43,1324 0.179,1325 0.093,1326 11.43,1327 5.955,1328 9.697,1329 0.114,1330 0.051,1331 9.697,1332 4.302,1333 8.473,1334 0.074,1335 0.028,1336 8.473,1337 3.199,1338 0.229,1339 91.407,1340 0.206,1341 28.881,1342 0.366,1343 164,1344 428.739,1345 178.361,1346 414.364,1347 578.19,1348 392,1349 194,1350 433.091,1351 209.416,1352 438.171,1353 644.02,1354 414,1355 9.5} {0 CHEMBL49048,1 1.219,2 7.833,3 3.922,4 15.38,5 77.624,6 6.06,7 0.5,8 3.754,9 3.899,10 3.165,11 3.309,12 4.604,13 3.24,14 4.35,15 4.567,16 3.485,17 3.733,18 5.103,19 3.627,20 4.593,21 4.86,22 3.386,23 3.827,24 5.265,25 3.657,26 4.574,27 4.857,28 3.237,29 3.751,30 5.221,31 3.554,32 4.498,33 4.807,34 3.122,35 3.608,36 5.088,37 3.406,38 4.291,39 4.558,40 3.108,41 3.508,42 4.968,43 3.344,44 4.308,45 4.586,46 2.936,47 3.452,48 4.972,49 3.259,50 4.246,51 4.58,52 2.59,53 3.255,54 4.782,55 3.013,56 0.054,57 0.579,58 9.974,59 3.931,60 6.201,61 5.831,62 0.122,63 0.97,64 17.921,65 6.626,66 10.901,67 10.037,68 0.14,69 1.124,70 22.166,71 8.61,72 14.889,73 12.836,74 0.125,75 1.065,76 21.473,77 8.538,78 15.054,79 12.646,80 0.146,81 0.956,82 19.76,83 7.716,84 12.77,85 11.448,86 0.105,87 0.832,88 16.38,89 6.173,90 10.976,91 9.311,92 0.124,93 0.83,94 16.7,95 5.941,96 11.964,97 9.136,98 0.11,99 0.704,100 15.168,101 5.616,102 10.388,103 8.515,104 3,105 27,106 0.22,107 0.54,108 0.755,109 0.82,110 0.82,111 0.82,112 2.96,113 1.077,114 -4.03,115 -3.98,116 -3.77,119 40,120 1,121 4,125 3,140 3,141 3,149 1,150 1,169 9,172 3,176 3,178 9,182 1,186 3,189 9,193 1,197 1,199 8,203 1,206 1,208 1,211 5,215 2,220 1,222 3,226 2,231 2,233 2,237 1,244 4,256 4,259 368,260 12.593,261 12.593,262 12.593,263 12.593,264 12.593,265 11.464,266 13.542,267 7.512,268 12.764,269 9.825,270 9.825,271 9.825,272 9.825,273 9.825,274 8.037,275 11.303,276 3.504,277 10.098,278 4.103,279 2.325,280 1.125,281 0.769,282 0.769,283 0.769,284 3.641,287 1,288 1,289 1,290 306,291 2.345,294 82.822,295 43.154,298 66.793,302 1.296,303 5.38,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 37,315 141,316 4.55,317 3.178,318 6.547,319 4.08,320 3.093,321 4.504,322 0.8,323 10.361,324 3.055,325 3.708,326 2.846,327 5.377,328 3.479,329 2.545,330 3.122,332 7.047,333 2.396,334 3.541,335 2.583,336 5.274,337 3.335,338 2.343,339 2.693,341 6.696,342 2.305,343 3.316,344 2.098,345 5.076,346 2.92,347 1.938,348 2.503,350 5.862,351 1.9,352 2.735,353 1.402,354 4.152,355 2.335,356 1.35,357 1.836,359 3.505,360 1.327,361 2.362,362 1.27,363 3.522,364 2.186,365 1.215,366 1.348,368 2.755,369 1.178,370 2.171,371 0.945,372 3.275,373 1.813,374 0.846,375 1.086,377 1.893,378 0.816,379 1.656,380 0.744,381 3,382 1.591,383 0.618,384 0.618,386 1.372,387 0.6,388 1.618,389 0.601,390 2.927,391 1.492,392 0.506,393 0.565,395 0.995,396 0.498,397 1.441,398 0.322,399 2.768,400 1.244,401 0.265,402 0.308,404 0.486,405 0.259,406 0.75,407 -0.354,408 2.241,409 0.414,410 -0.558,411 -0.667,413 -1.231,414 -0.541,415 0.626,416 -0.721,417 2.076,418 0.172,419 -0.821,420 -1.057,422 -2.387,423 -0.813,424 0.191,425 -0.927,426 2,427 -0.056,428 -1.027,429 -1.327,431 -2.731,432 -0.997,433 -0.146,434 -1.269,435 1.564,436 -0.454,437 -1.43,438 -1.584,440 -3.506,441 -1.388,442 -0.302,443 -1.344,444 1,445 -0.607,446 -1.602,447 -1.618,449 -4.119,450 -1.5,451 8.8,452 0.489,453 0.307,454 0.017,455 19.25,456 1.069,457 8,458 0.444,459 11.25,460 0.625,461 15.481,462 0.86,463 20,464 0.5,465 10.125,466 0.562,467 3.382,468 0.188,469 5.482,470 0.305,471 0.057,473 0.273,479 1.116,480 1.363,481 1.011,482 1.152,483 1,484 1.088,485 1.466,486 1.112,487 1.061,488 1.006,489 0.933,490 1.007,491 1.114,492 1.033,493 1.068,494 1.043,495 0.882,496 1.051,497 0.869,498 1.071,499 1.038,500 1.086,501 1.151,502 1.075,503 0.711,504 0.892,505 0.867,506 0.908,507 0.853,508 0.899,509 1.115,510 1.145,511 1.048,512 1.079,513 1.1,514 1.063,515 1.538,516 1.171,517 1.246,518 1.155,519 1.603,520 1.177,521 1.172,522 0.762,523 0.949,524 0.82,525 1.085,526 0.862,527 3,528 0.02,529 1.778,530 0.826,531 0.698,532 0.375,533 0.227,534 0.107,535 0.066,536 0.031,537 2984,538 4826,539 2.154,540 55,541 5,542 9,543 1,545 1,547 6,550 1.585,551 2.077,552 2.996,553 -0.389,555 1,559 48.77,560 1.219,561 2.997,562 4.196,563 4.553,564 4.553,565 4.553,566 2.489,567 3.572,568 4.141,569 3.122,570 477.689,571 7.018,572 4512.86,574 1,576 1,577 212.877,578 1.135,579 4.128,580 0.15,581 0.01,582 0.066,583 0.036,584 0.037,585 0.022,586 0.013,587 0.008,588 0.007,589 0.005,590 0.355,591 0.83,592 1,593 0.695,594 76.483,595 0.067,596 -0.118,597 0.073,598 -0.013,599 0.1,600 0.023,601 -0.108,602 0.033,603 -0.008,604 0.03,605 0.064,606 0.019,607 -0.102,608 -0.015,609 -0.078,610 -0.044,611 0.072,612 -0.057,613 -0.028,614 -0.102,615 -0.072,616 -0.094,617 -0.109,618 -0.088,619 0.185,620 0.037,621 0.09,622 0.047,623 0.063,624 0.06,625 -0.024,626 -0.127,627 -0.052,628 -0.091,629 -0.048,630 -0.077,631 -0.209,632 -0.149,633 -0.242,634 -0.206,635 -0.368,636 -0.223,637 -0.118,638 0.137,639 0.001,640 0.086,641 -0.106,642 0.058,643 0.386,644 0.896,645 0.778,646 12.321,647 0.976,648 1.129,649 2.796,650 7.815,651 0.641,652 3.045,653 3.332,654 3.611,655 3.85,656 3.951,657 4.025,658 4.094,659 4.174,660 4.06,661 3.989,662 4.834,663 0.583,664 242.4,665 3.045,666 4.554,667 5.398,668 6.26,669 7.122,670 7.991,671 8.861,672 9.734,673 10.608,674 11.484,675 5,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 40,716 10,717 1,718 20,720 42,721 16,722 8,723 3,724 3,730 3,731 4,736 1,740 2,743 4,745 8,746 8,761 1,764 22,765 1,766 1,767 2,773 2,777 0.667,788 1,789 1,792 2,793 1,796 1,815 1,819 2,823 1,827 18,833 7,838 1,854 8.667,855 7.283,856 4.056,857 2.849,858 2.073,859 1.321,860 1.006,861 3.485,862 8.537,863 3.258,864 3.834,865 4.45,866 5.051,867 5.518,868 5.835,869 6.17,870 6.48,871 6.221,872 6.198,873 1,874 23,875 6.698,877 2.778,878 7.259,879 13.689,881 11.617,883 1.759,884 31.667,885 0.007,888 247.193,889 73.845,890 19.91,895 73.845,896 247.193,897 19.91,898 8.825,899 16.455,900 37.476,902 28.854,903 13.915,904 235.422,906 247.193,907 93.755,911 176.567,912 70.627,915 45.19,916 48.564,919 247.193,920 19.91,921 73.845,924 247.193,925 27.543,926 49.426,927 16.786,929 247.193,930 19.91,931 73.845,933 0.569,934 0.339,935 0.182,936 0.087,937 14,938 5,939 0.095,940 4,941 1,942 1.143,943 3.18,944 127.627,945 0.143,946 14,947 71.059,951 11.945,952 5.252,953 2.527,954 2.706,955 3.124,956 8.988,958 3.396,961 2.914,963 16.786,964 340.948,965 25,975 39.04,976 45.149,977 0.229,978 0.563,979 0.789,980 0.856,981 0.856,982 0.856,983 4.472,984 0.618,985 5.352,986 1.893,987 4.007,988 4.516,989 0.673,990 6.125,991 3.957,992 5.641,993 0.506,994 6.88,995 1.372,996 3.434,997 4.311,998 0.325,999 6.952,1000 3.359,1001 6.934,1002 0.265,1003 8.509,1004 0.995,1005 5.557,1006 6.747,1007 0.379,1008 10.036,1009 5.461,1010 8.272,1011 -0.558,1012 10.199,1013 0.486,1014 5.889,1015 7.493,1016 0.268,1017 11.752,1018 5.775,1019 9.65,1020 -0.821,1021 11.931,1022 -1.231,1023 7.394,1024 9.362,1025 0.239,1026 14.33,1027 7.264,1028 11.055,1029 -1.027,1030 13.692,1031 -2.387,1032 8.141,1033 10.533,1034 0.188,1035 16.414,1036 7.999,1037 12.482,1038 -1.43,1039 15.475,1040 -2.731,1041 9.405,1042 12.185,1043 0.156,1044 18.833,1045 9.25,1046 3.093,1047 -1.602,1048 17.275,1049 -3.506,1050 10.348,1051 13.547,1052 0.125,1053 21.069,1054 10.186,1055 2.545,1056 10.361,1057 19.088,1058 -4.119,1059 11.518,1060 15.112,1061 0.102,1062 23.434,1063 11.345,1064 2.343,1065 7.047,1066 20.913,1067 4.504,1068 12.555,1069 16.557,1070 0.082,1071 25.732,1072 12.375,1073 1.938,1074 6.696,1075 22.748,1076 3.122,1077 13.69,1078 18.086,1079 0.066,1080 28.079,1081 13.501,1082 1.35,1083 5.862,1084 24.59,1085 2.693,1086 14.772,1087 19.565,1088 0.054,1089 30.401,1090 14.576,1091 1.215,1092 3.505,1093 26.439,1094 2.503,1095 15.897,1096 21.081,1097 0.043,1098 32.742,1099 15.692,1100 0.846,1101 2.755,1102 28.293,1103 1.836,1104 17,1105 22.574,1106 0.035,1107 35.074,1108 16.787,1109 2885,1110 3740,1111 13.811,1112 25.625,1113 29.198,1114 29.416,1115 29.836,1116 29.452,1117 29.437,1118 37.166,1119 1.6,1120 81.942,1121 28.671,1122 5.501,1123 5.178,1124 6.177,1125 5.12,1126 5.093,1127 7.504,1128 1.2,1129 17.028,1130 5.055,1131 5.223,1132 1.46,1133 1.471,1134 1.492,1135 1.473,1136 1.472,1137 1.858,1138 0.08,1139 4.097,1140 1.434,1141 4.138,1142 4.172,1143 4.093,1144 4.06,1145 4.959,1146 4.064,1147 3.844,1148 3.914,1149 3.712,1150 3.681,1151 4.353,1152 3.678,1153 3.597,1154 3.658,1155 3.472,1156 3.484,1157 4.307,1158 3.473,1159 3.345,1160 3.425,1161 3.159,1162 3.195,1163 3.919,1164 3.175,1165 3.133,1166 3.223,1167 2.93,1168 2.945,1169 3.797,1170 2.931,1171 2.89,1172 2.979,1173 2.742,1174 2.746,1175 3.59,1176 2.735,1177 2.869,1178 2.962,1179 2.583,1180 2.671,1181 3.209,1182 2.635,1183 2.63,1184 2.749,1185 2.38,1186 2.376,1187 3.124,1188 2.362,1189 0.228,1190 0.159,1191 0.327,1192 0.204,1193 0.155,1194 4.55,1195 0.225,1196 3.178,1197 0.04,1198 6.547,1199 0.518,1200 4.08,1201 0.153,1202 3.093,1203 4.504,1204 0.8,1205 10.361,1206 3.055,1207 1.969,1208 1.946,1209 2.072,1210 2.044,1211 1.294,1212 2.054,1213 1.683,1214 1.623,1215 1.887,1216 1.878,1217 1.211,1218 1.885,1219 1.577,1220 1.507,1221 1.86,1222 1.751,1223 1.165,1224 1.793,1225 1.467,1226 1.392,1227 1.739,1228 1.698,1229 0.924,1230 1.71,1231 1.415,1232 1.342,1233 1.639,1234 1.613,1235 0.839,1236 1.637,1237 1.067,1238 0.973,1239 1.392,1240 1.318,1241 0.523,1242 1.354,1243 0.867,1244 0.801,1245 1.13,1246 1.046,1247 0.281,1248 1.081,1249 0.715,1250 0.637,1251 1.068,1252 0.927,1253 0.141,1254 0.98,1255 3.714,1257 5.004,1258 3.045,1259 6.482,1260 5.283,1261 8.047,1262 7.273,1263 9.665,1265 2.22,1271 8.857,1276 2.586,1280 23.311,1281 48.77,1282 119.88,1283 167.858,1284 182.122,1285 182.122,1286 182.122,1287 18.563,1288 6.465,1289 19.03,1290 19.03,1291 16,1292 12.024,1293 3.459,1294 2.585,1295 25.796,1296 51,1297 47,1298 0.25,1299 143.947,1300 237.92,1301 342.99,1302 4836,1304 12.372,1305 0.687,1306 0.623,1307 12.372,1308 11.206,1309 8.865,1310 0.443,1311 0.359,1312 7.129,1313 8.691,1314 6.936,1315 5.765,1316 8.865,1317 7.178,1318 7.577,1319 0.281,1320 0.198,1321 7.577,1322 5.346,1323 6.668,1324 0.185,1325 0.115,1326 6.668,1327 4.136,1328 5.415,1329 0.118,1330 0.064,1331 5.415,1332 2.937,1333 3.856,1334 0.076,1335 0.035,1336 3.856,1337 1.766,1338 0.385,1339 54.254,1340 0.269,1341 18.149,1342 0.701,1343 94,1344 175.978,1345 97.802,1346 178.085,1347 256.62,1348 170,1349 110,1350 197.085,1351 114.496,1352 203.14,1353 298.23,1354 193,1355 7.347} {0 CHEMBL490633,1 1.47,2 14.333,3 4.199,4 17.633,5 116.169,6 6.735,7 0.375,8 4.2,9 4.315,10 3.667,11 3.672,12 5.228,13 3.645,14 4.782,15 4.968,16 3.962,17 4.052,18 5.738,19 4,20 5.029,21 5.238,22 4.094,23 4.24,24 5.995,25 4.154,26 5.145,27 5.368,28 4.045,29 4.295,30 6.058,31 4.174,32 5.229,33 5.485,34 4.008,35 4.292,36 6.114,37 4.155,38 5.161,39 5.412,40 3.946,41 4.234,42 6.054,43 4.098,44 5.116,45 5.374,46 3.809,47 4.158,48 5.972,49 4.001,50 5.071,51 5.369,52 3.621,53 4.007,54 5.96,55 3.825,56 0.024,57 0.878,58 14.528,59 6.37,60 12.122,61 8.272,62 0.339,63 1.4,64 27.881,65 9.976,66 36.829,67 13.377,68 0.579,69 1.681,70 35.842,71 12.98,72 58.028,73 17.864,74 0.453,75 1.781,76 40.003,77 14.677,78 59.27,79 20.444,80 0.67,81 1.882,82 44.482,83 15.196,84 74.582,85 21.641,86 0.636,87 1.826,88 41.686,89 14.334,90 71.305,91 20.152,92 0.569,93 1.742,94 39.841,95 13.769,96 63.72,97 19.375,98 0.714,99 1.613,100 39.029,101 12.611,102 97.227,103 18.204,104 28,105 42,106 0.24,107 0.525,108 0.755,109 0.816,110 0.836,111 0.852,112 3.44,113 0.989,114 -4.14,115 -4.09,116 -3.87,119 38.7,121 3,122 1,124 2,125 5,127 1,140 7,141 2,142 3,169 10,172 7,176 2,178 10,181 1,182 8,186 3,189 8,193 6,195 1,197 1,199 5,203 7,206 2,208 1,211 6,215 3,222 7,225 2,226 1,231 1,233 7,236 1,237 1,242 1,244 4,249 3,254 2,256 4,259 1596,260 20.731,261 20.731,262 20.731,263 20.731,264 20.731,265 19.28,266 26.136,267 12.476,268 21.419,269 15.602,270 15.602,271 15.602,272 15.602,273 15.602,274 13.317,275 28.93,276 5.668,277 16.548,278 4.485,279 2.736,280 1.325,281 0.952,282 0.831,283 0.734,284 4.125,288 1,289 1,290 900,291 3.674,295 340.027,302 2.244,303 31.58,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 66,315 430,316 4.434,317 3.469,318 6.741,319 4.115,320 3.15,321 4.058,322 0.86,323 10.93,324 3.039,325 4.037,326 3.01,327 6.042,328 3.686,329 2.728,330 3.635,331 0.86,332 8.564,333 2.622,334 3.81,335 2.913,336 5.501,337 3.621,338 2.647,339 2.936,340 0.86,341 7.393,342 2.57,343 3.534,344 2.791,345 5.361,346 3.332,347 2.406,348 2.776,349 0.8,350 6.941,351 2.223,352 3.403,353 2.516,354 5.136,355 3.107,356 2.154,357 2.521,358 0.765,359 6.232,360 2.039,361 3.086,362 2.37,363 5.056,364 2.864,365 1.92,366 2.152,368 5.834,369 1.808,370 2.917,371 2.025,372 4.25,373 2.471,374 1.53,375 2.086,377 3.643,378 1.439,379 2.505,380 1.881,381 3.74,382 2.354,383 1.439,384 1.505,386 2.921,387 1.289,388 2.5,389 1.459,390 3.449,391 2,392 1.064,393 1.5,395 2.351,396 1,397 2.165,398 1.215,399 3.414,400 1.99,401 1,402 1.144,404 2.275,405 0.983,406 2,407 1.08,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.974,415 1.903,416 1.077,417 3.236,418 1.735,419 0.8,420 0.859,422 1.731,423 0.74,424 1.7,425 1,426 2.923,427 1.44,428 0.559,429 0.62,431 1.012,432 0.486,433 1.53,434 0.976,435 2.709,436 1.308,437 0.416,438 0.453,440 0.689,441 0.368,442 1.322,443 0.752,444 2.45,445 1.046,446 0.23,447 0.245,449 0.336,450 0.184,451 14.019,452 0.467,453 0.516,454 0.017,455 32.25,456 1.075,457 13.5,458 0.45,459 18.75,460 0.625,461 29.861,462 0.995,463 35.181,464 0.567,465 24.582,466 0.819,467 6.553,468 0.218,469 8.103,470 0.27,471 0.115,473 0.278,474 1,479 0.797,480 1.273,481 0.873,482 1.289,483 0.713,484 1.131,485 1.22,486 0.977,487 1.051,488 0.97,489 0.951,490 0.964,491 0.837,492 0.939,493 0.983,494 1.055,495 0.735,496 1.044,497 0.795,498 1.011,499 1.028,500 1.185,501 0.749,502 1.165,503 0.827,504 0.885,505 0.958,506 0.976,507 0.756,508 0.995,509 0.911,510 0.989,511 1.029,512 1.036,513 0.87,514 1.056,515 0.904,516 1.043,517 1.064,518 1.083,519 0.931,520 1.11,521 0.866,522 0.946,523 0.939,524 0.897,525 1.094,526 0.926,527 5,528 0.14,529 3.333,530 1.563,531 1.698,532 1.035,533 0.484,534 0.403,535 0.271,536 0.151,537 12562,538 33468,539 2.032,540 51.6,542 24,545 1,547 7,550 1.724,551 1.915,552 3.748,553 -0.382,555 1,559 91.121,560 1.47,561 3.219,562 4.629,563 5.002,564 5.123,565 5.22,566 3.216,567 4.415,568 4.872,569 3.925,570 1707.3,571 8.477,572 24946.6,574 1,577 369.16,578 1.338,579 4.843,580 0.156,581 0.006,582 0.079,583 0.034,584 0.04,585 0.026,586 0.013,587 0.013,588 0.011,589 0.006,590 0.385,591 0.5,592 1,593 1.21,594 157.671,595 -0.026,596 -0.131,597 0.05,598 -0.084,599 -0.044,600 -0.015,601 -0.166,602 0.101,603 -0.06,604 0.083,605 -0.093,606 0.047,607 0.064,608 0.057,609 -0.021,610 -0.017,611 0.059,612 -0.028,614 -0.147,615 -0.089,616 -0.161,617 -0.003,618 -0.148,619 0.012,620 -0.042,621 -0.002,622 -0.01,623 0.011,624 -0.012,625 -0.01,626 -0.061,627 -0.062,628 -0.054,629 -0.013,630 -0.069,631 -0.024,632 -0.123,633 -0.101,634 -0.109,635 -0.057,636 -0.125,637 0.057,638 0.035,639 0.043,640 0.031,641 0.049,642 0.033,643 2.065,644 5.011,645 0.6,646 36.16,647 1.001,648 1.134,649 2.912,650 8.483,651 0.628,652 3.497,653 3.761,654 4.025,655 4.22,656 4.431,657 4.419,658 4.454,659 4.511,660 4.625,661 4.615,662 7.986,663 0.592,664 417.57,665 3.497,666 5.004,667 5.838,668 6.688,669 7.541,670 8.399,671 9.258,672 10.119,673 10.982,674 11.847,675 1.6,678 1,688 7,693 5,695 12,712 3,714 62,716 12,717 2,718 32,720 64,721 24,722 12,723 5,724 7,727 1,730 3,731 3,736 1,740 2,741 1,743 4,745 12,746 12,747 1,761 1,762 1,764 32,765 6,766 1,767 6,773 1,777 1,778 4,780 1,793 3,815 1,817 1,819 3,823 2,825 1,827 30,832 1,833 8,835 3,837 2,838 1,846 1,847 6.5,848 1,852 3,854 15.667,855 11.293,856 7.028,857 3.702,858 2.056,859 1.278,860 0.908,861 8.793,862 9.448,863 3.664,864 4.143,865 4.644,866 5.095,867 5.556,868 5.545,869 5.647,870 5.727,871 5.887,872 5.939,873 0.9,874 46,875 11.171,877 4.608,878 7.75,879 21.573,881 17.429,883 2.25,884 67.5,887 1,888 364.904,889 137.184,890 3.124,892 75.683,893 14.96,895 137.184,896 440.587,897 18.084,898 21.766,899 26.983,900 109.017,902 58.225,903 14.96,904 364.904,906 364.904,907 140.309,908 90.643,911 297.467,912 115.397,913 42.683,915 30.107,916 110.201,919 379.864,920 78.807,921 137.184,924 364.904,925 49.085,926 91.224,928 90.643,929 364.904,930 93.767,931 137.184,933 0.559,934 0.338,935 0.18,936 0.1,937 17,938 8,939 0.141,940 9,942 1,943 4.197,944 248.787,946 18,947 139.207,951 22.858,952 11.54,953 6.103,955 93.767,956 13.638,961 3.866,963 42.683,964 595.856,965 38,975 62.061,976 70.319,977 0.247,978 0.541,979 0.777,980 0.84,981 0.86,982 0.877,983 4.883,984 1.439,985 5.79,986 3.643,987 4.443,988 4.828,989 2.024,990 6.561,991 4.343,992 6.022,993 1.064,994 7.326,995 2.921,996 3.892,997 4.46,998 0.325,999 7.431,1000 3.751,1001 7.291,1002 1,1003 8.965,1004 2.351,1005 5.994,1006 6.875,1007 1.691,1008 10.509,1009 5.82,1010 8.597,1011 1,1012 10.667,1013 2.275,1014 6.312,1015 7.364,1016 0.268,1017 12.237,1018 6.091,1019 9.939,1020 0.8,1021 12.411,1022 2.275,1023 7.825,1024 9.243,1025 1.41,1026 14.843,1027 7.586,1028 11.305,1029 0.559,1030 14.184,1031 1.731,1032 8.55,1033 10.136,1034 0.188,1035 16.933,1036 8.262,1037 12.69,1038 0.416,1039 15.979,1040 1.012,1041 9.823,1042 11.783,1043 1.163,1044 19.391,1045 9.518,1046 3.15,1047 0.23,1048 17.791,1049 0.689,1050 10.749,1051 12.891,1052 0.125,1053 21.644,1054 10.399,1055 2.728,1056 10.93,1057 19.617,1058 0.336,1059 11.923,1060 14.421,1061 0.945,1062 24.054,1063 11.552,1064 2.647,1065 8.564,1066 21.454,1067 4.058,1068 12.95,1069 15.648,1070 0.082,1071 26.38,1072 12.536,1073 2.406,1074 7.393,1075 23.301,1076 3.635,1077 14.088,1078 17.114,1079 0.756,1080 28.775,1081 13.648,1082 2.154,1083 6.941,1084 25.157,1085 2.936,1086 15.166,1087 18.41,1088 0.054,1089 31.134,1090 14.686,1091 1.92,1092 6.232,1093 27.02,1094 2.776,1095 16.293,1096 19.842,1097 0.597,1098 33.525,1099 15.784,1100 1.53,1101 5.834,1102 28.889,1103 2.521,1104 17.397,1105 21.178,1106 0.035,1107 35.9,1108 16.85,1109 12347,1110 20260,1111 21.266,1112 38.944,1113 46.068,1114 47.611,1115 48.447,1116 45.981,1117 46.085,1118 54.979,1119 8.289,1120 126.251,1121 43.527,1122 5.434,1123 5.469,1124 6.604,1125 5.15,1126 5.15,1127 7.058,1128 1.72,1129 18.301,1130 5.039,1131 14.95,1132 1.44,1133 1.488,1134 1.514,1135 1.437,1136 1.44,1137 1.718,1138 0.259,1139 3.945,1140 1.36,1141 4.006,1142 4.039,1143 3.938,1144 3.91,1145 8.196,1146 3.912,1147 3.92,1148 3.941,1149 3.86,1150 3.849,1151 6.449,1152 3.848,1153 3.802,1154 3.847,1155 3.696,1156 3.668,1157 4.904,1158 3.667,1159 3.511,1160 3.57,1161 3.383,1162 3.289,1163 4.861,1164 3.296,1165 3.433,1166 3.493,1167 3.293,1168 3.245,1169 4.452,1170 3.247,1171 3.249,1172 3.315,1173 3.096,1174 3.016,1175 4.4,1176 3.024,1177 3.245,1178 3.307,1179 3.061,1180 2.961,1181 4.297,1182 2.971,1183 3.111,1184 3.206,1185 2.898,1186 2.941,1187 4.252,1188 2.91,1189 0.139,1190 0.108,1191 0.211,1192 0.129,1193 0.098,1194 4.434,1195 0.127,1196 3.469,1197 0.027,1198 6.741,1199 0.342,1200 4.115,1201 0.095,1202 3.15,1203 4.058,1204 0.86,1205 10.93,1206 3.039,1207 1.947,1208 1.921,1209 2.096,1210 2.079,1211 1.467,1212 2.086,1213 1.91,1214 1.888,1215 2.026,1216 2.008,1217 1.228,1218 2.013,1219 1.783,1220 1.737,1221 1.94,1222 1.936,1223 1.098,1224 1.939,1225 1.446,1226 1.388,1227 1.71,1228 1.71,1229 0.936,1230 1.709,1231 1.409,1232 1.347,1233 1.673,1234 1.629,1235 0.887,1236 1.645,1237 1.2,1238 1.134,1239 1.573,1240 1.514,1241 0.825,1242 1.533,1243 1.189,1244 1.116,1245 1.551,1246 1.485,1247 0.638,1248 1.506,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.574,1254 1.429,1255 4.174,1257 5.451,1259 6.938,1261 8.519,1263 10.148,1265 3.228,1267 12.481,1270 11.011,1271 5.166,1273 16.127,1275 -0.467,1276 2.45,1280 36.693,1281 91.121,1282 199.553,1283 286.979,1284 310.141,1285 317.65,1286 323.65,1287 67.668,1288 7.392,1289 51.16,1290 51.16,1291 18,1292 12.394,1293 3.7,1294 2.807,1295 55.684,1296 143,1297 162,1298 0.188,1299 225.22,1300 401.27,1301 541.296,1302 17217,1303 1.6,1304 21.347,1305 0.712,1306 0.595,1307 20.64,1308 17.85,1309 14.656,1310 0.458,1311 0.33,1312 10.347,1313 13.906,1314 10.092,1315 8.332,1316 14.156,1317 10.549,1318 12.081,1319 0.288,1320 0.182,1321 11.728,1322 7.638,1323 10.505,1324 0.191,1325 0.106,1326 10.236,1327 5.821,1328 8.259,1329 0.123,1330 0.061,1331 8.164,1332 4.072,1333 6.656,1334 0.08,1335 0.036,1336 6.499,1337 2.956,1338 0.305,1339 93.324,1340 0.217,1341 28.992,1342 0.49,1343 148,1344 487.113,1345 164.152,1346 423.794,1347 560.61,1348 402,1349 171,1350 375.598,1351 187.508,1352 376.895,1353 549.57,1354 352,1355 5} {0 CHEMBL490634,1 1.616,2 14.484,3 4.363,4 19.038,5 116.405,6 7.423,7 0.364,8 4.147,9 4.255,10 3.696,11 3.636,12 5.28,13 3.623,14 4.718,15 4.889,16 4.006,17 4.02,18 5.872,19 3.987,20 4.978,21 5.18,22 4.13,23 4.19,24 6.078,25 4.129,26 5.061,27 5.267,28 4.081,29 4.204,30 6.172,31 4.125,32 5.088,33 5.317,34 4.014,35 4.184,36 6.138,37 4.088,38 5.033,39 5.259,40 3.957,41 4.159,42 6.03,43 4.051,44 5.058,45 5.302,46 3.832,47 4.097,48 6.043,49 3.97,50 4.973,51 5.25,52 3.651,53 3.927,54 6.028,55 3.779,56 0.161,57 0.857,58 11.923,59 5.719,60 13.75,61 7.157,62 0.502,63 1.362,64 24.248,65 9.218,66 72.138,67 11.86,68 0.733,69 1.62,70 32.77,71 11.88,72 72.999,73 15.96,74 0.7,75 1.635,76 36.056,77 12.969,78 98.194,79 17.42,80 0.874,81 1.67,82 38.567,83 13.165,84 106.499,85 17.936,86 0.749,87 1.684,88 35.817,89 12.754,90 88.833,91 17.334,92 0.805,93 1.659,94 37.965,95 12.79,96 101.361,97 17.488,98 1.012,99 1.475,100 36.858,101 11.331,102 143.861,103 16.133,104 37,105 44,106 0.265,107 0.568,108 0.779,109 0.838,110 0.838,111 0.838,112 3.471,113 0.944,114 -4.69,115 -4.61,116 -4.33,119 39.7,121 3,122 1,124 1,125 5,140 7,141 2,142 3,155 1,164 2,169 10,171 1,172 9,178 10,181 1,182 15,189 8,192 1,193 11,199 5,202 2,203 10,211 6,215 5,222 7,225 2,226 2,233 7,236 3,237 2,244 4,249 5,256 4,259 1726,260 21.068,261 21.068,262 21.068,263 21.068,264 21.068,265 19.221,266 27.593,267 12.612,268 21.583,269 16.143,270 16.143,271 16.143,272 16.143,273 16.143,274 13.261,275 32.943,276 5.787,277 16.861,278 4.242,279 2.388,280 1.102,281 0.737,282 0.737,283 0.737,284 4.154,288 1,289 1,290 937,291 3.937,295 354.589,302 2.308,303 44.258,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 69.5,315 449,316 4.474,317 3.778,318 6.741,319 4.139,320 3.15,321 4.112,322 2.612,323 10.93,324 3.125,325 4.255,326 3.757,327 6.042,328 3.766,329 2.79,330 3.951,331 1.277,332 8.564,333 2.725,334 3.902,335 3.183,336 5.929,337 3.682,338 2.716,339 3.237,340 0.86,341 8.229,342 2.614,343 3.781,344 2.883,345 5.416,346 3.422,347 2.459,348 3.149,349 0.86,350 7.111,351 2.371,352 3.474,353 2.651,354 5.258,355 3.245,356 2.28,357 2.541,358 0.8,359 6.628,360 2.18,361 3.113,362 2.416,363 5.091,364 2.871,365 1.925,366 2.212,368 5.845,369 1.817,370 2.94,371 2.039,372 4.25,373 2.473,374 1.531,375 2.087,377 3.644,378 1.439,379 2.917,380 1.995,381 3.802,382 2.37,383 1.441,384 2.041,386 3.021,387 1.32,388 2.539,389 1.931,390 3.733,391 2.286,392 1.293,393 1.523,395 2.901,396 1.273,397 2.5,398 1.726,399 3.447,400 2.035,401 1.048,402 1.5,404 2.331,405 1.017,406 2.369,407 1.233,408 3.414,409 2,410 1,411 1.267,413 2.275,414 1,415 2,416 1.077,417 3.414,418 1.984,419 1,420 1,422 2.275,423 0.983,424 1.823,425 1.001,426 3.172,427 1.648,428 0.692,429 0.761,431 1.552,432 0.655,433 1.768,434 1,435 2.913,436 1.457,437 0.507,438 0.612,440 0.979,441 0.476,442 1.328,443 1,444 2.465,445 1.047,446 0.23,447 0.246,449 0.336,450 0.184,451 14.252,452 0.46,453 0.644,454 0.021,455 37,456 1.194,457 17.5,458 0.565,459 19.5,460 0.629,461 27.746,462 0.895,463 35.548,464 0.613,465 29.758,466 0.96,467 7.436,468 0.24,469 7.593,470 0.245,471 0.125,473 0.302,474 1,479 0.54,480 1.196,481 0.744,482 1.211,483 0.493,484 1.071,485 0.911,486 1.012,487 0.941,488 1.008,489 0.612,490 0.977,491 0.741,492 0.921,493 0.906,494 1.038,495 0.613,496 1.011,497 0.841,498 0.963,499 0.994,500 1.15,501 0.856,502 1.125,503 0.869,504 0.883,505 0.978,506 0.986,507 0.812,508 1.015,509 0.802,510 1.046,511 1.033,512 1.127,513 0.681,514 1.143,515 0.918,516 1.003,517 1.087,518 1.082,519 0.868,520 1.13,521 0.842,522 0.902,523 0.987,524 0.887,525 0.93,526 0.965,527 5.5,528 0.149,529 3.778,530 1.813,531 1.738,532 1.153,533 0.525,534 0.403,535 0.32,536 0.191,537 13787,538 45542,539 2.012,540 46.6,542 20,546 1,547 6,550 1.731,551 1.879,552 3.769,553 -0.735,555 1,559 93.729,560 1.616,561 3.47,562 4.756,563 5.121,564 5.121,565 5.121,566 3.229,567 4.543,568 4.921,569 3.972,570 1846.82,571 8.569,572 27848.7,574 1,576 1,577 339.763,578 1.418,579 4.881,580 0.167,581 0.006,582 0.086,583 0.038,584 0.039,585 0.028,586 0.014,587 0.013,588 0.012,589 0.007,590 0.41,591 0.17,592 1,593 1.23,594 165.01,595 0.096,596 -0.065,597 0.058,598 -0.05,599 0.015,600 -0.022,601 -0.06,602 0.061,603 -0.037,604 0.048,605 0.058,606 0.025,607 0.056,608 0.054,609 0.015,610 -0.014,611 0.056,612 -0.003,613 -0.028,614 -0.124,615 -0.064,616 -0.139,617 -0.02,618 -0.117,619 -0.023,620 -0.046,621 -0.021,622 0.001,623 -0.03,624 -0.012,625 -0.006,626 -0.098,627 -0.093,628 -0.115,629 -0.017,630 -0.127,631 -0.065,632 -0.101,633 -0.118,634 -0.105,635 -0.076,636 -0.129,637 0.066,638 0.046,639 0.026,640 0.057,641 0.02,642 0.03,643 2.399,644 6.095,645 0.581,646 37.775,647 1.014,648 1.134,649 3.458,650 11.959,651 0.64,652 3.526,653 3.807,654 4.06,655 4.248,656 4.454,657 4.466,658 4.5,659 4.533,660 4.663,661 4.654,662 8.263,663 0.618,664 430.52,665 3.526,666 5.043,667 5.878,668 6.732,669 7.585,670 8.446,671 9.305,672 10.169,673 11.031,674 11.897,675 3.4,678 1,686 1,688 7,693 5,695 12,700 1,708 1,712 2,714 58,716 15,717 2,718 33,720 60,721 23,722 12,723 5,724 7,725 1,727 1,730 3,731 3,736 1,740 2,741 1,743 3,745 13,746 10,747 1,750 3,752 1,755 3,759 1,761 1,762 1,764 27,765 7,767 8,773 2,777 1,778 5,793 3,815 1,819 3,823 1,825 1,827 31,833 8,835 2,837 1,838 1,846 1,847 8.6,850 1,852 2,853 2,854 16.5,855 10.543,856 7.139,857 3.537,858 2.265,859 1.303,860 0.932,861 8.386,862 9.74,863 3.761,864 4.277,865 4.771,866 5.219,867 5.675,868 5.778,869 5.929,870 5.841,871 6.039,872 6.073,873 0.9,874 48,875 11.539,877 4.873,878 8.059,879 21.673,881 17.509,883 2.559,884 79.333,887 1,888 317.82,889 128.948,890 8.794,892 97.892,893 14.96,895 128.948,896 415.711,897 23.754,898 16.553,899 26.983,900 66.334,901 30.278,902 44.739,903 14.96,904 317.82,905 50.747,906 317.82,907 137.742,908 112.852,911 262.153,912 117.771,913 50.747,915 30.107,916 101.965,917 5.67,919 332.78,920 106.686,921 128.948,924 317.82,925 51.731,926 86.011,928 112.852,929 317.82,930 121.646,931 128.948,933 0.567,934 0.337,935 0.176,936 0.097,937 18,938 9,939 0.15,940 9,942 1,943 4.256,944 260.354,946 18,947 143.58,951 23.176,952 11.218,953 6.023,955 115.976,956 11.758,961 2.368,964 568.414,965 42,967 -0.399,970 34.597,974 0.026,975 58.84,976 65.781,977 0.276,978 0.592,979 0.812,980 0.874,981 0.874,982 0.874,983 4.984,984 1.441,985 5.844,986 3.644,987 4.489,988 4.963,989 2.964,990 6.624,991 4.421,992 6.154,993 1.293,994 7.39,995 3.021,996 4.007,997 4.758,998 2.396,999 7.516,1000 3.931,1001 7.444,1002 1.048,1003 9.039,1004 2.901,1005 6.052,1006 7.075,1007 4.272,1008 10.587,1009 5.94,1010 8.771,1011 1,1012 10.75,1013 2.331,1014 6.415,1015 7.713,1016 4.51,1017 12.319,1018 6.3,1019 10.133,1020 1,1021 12.501,1022 2.275,1023 7.901,1024 9.51,1025 5.975,1026 14.916,1027 7.761,1028 11.518,1029 0.692,1030 14.28,1031 2.275,1032 8.65,1033 10.523,1034 6.556,1035 17,1036 8.509,1037 12.921,1038 0.507,1039 16.078,1040 1.552,1041 9.909,1042 12.113,1043 7.801,1044 19.448,1045 9.752,1046 3.15,1047 0.23,1048 17.892,1049 0.979,1050 10.846,1051 13.307,1052 8.548,1053 21.691,1054 10.687,1055 2.79,1056 10.93,1057 19.718,1058 0.336,1059 12.012,1060 14.803,1061 9.671,1062 24.093,1063 11.843,1064 2.716,1065 8.564,1066 21.554,1067 4.112,1068 13.041,1069 16.09,1070 10.509,1071 26.411,1072 12.869,1073 2.459,1074 8.229,1075 23.398,1076 3.951,1077 14.173,1078 17.538,1079 11.564,1080 28.8,1081 13.994,1082 2.28,1083 7.111,1084 25.25,1085 3.237,1086 15.248,1087 18.876,1088 12.452,1089 31.154,1090 15.068,1091 1.925,1092 6.628,1093 27.108,1094 3.149,1095 16.37,1096 20.301,1097 13.468,1098 33.54,1099 16.185,1100 1.531,1101 5.845,1102 28.972,1103 2.541,1104 17.471,1105 21.666,1106 14.386,1107 35.912,1108 17.283,1109 13583,1110 24830,1111 21.671,1112 37.12,1113 48.183,1114 51.204,1115 50.581,1116 48.026,1117 48.123,1118 60.477,1119 12.82,1120 133.24,1121 46.354,1122 5.474,1123 5.778,1124 6.604,1125 5.174,1126 5.15,1127 7.112,1128 4.612,1129 18.301,1130 5.125,1131 17.194,1132 1.46,1133 1.552,1134 1.533,1135 1.455,1136 1.458,1137 1.833,1138 0.388,1139 4.038,1140 1.405,1141 4.025,1142 4.056,1143 3.972,1144 3.917,1145 8.196,1146 3.922,1147 3.962,1148 3.981,1149 3.92,1150 3.863,1151 7.815,1152 3.869,1153 3.814,1154 3.861,1155 3.713,1156 3.671,1157 7.426,1158 3.671,1159 3.573,1160 3.61,1161 3.513,1162 3.315,1163 6.999,1164 3.337,1165 3.5,1166 3.558,1167 3.377,1168 3.253,1169 4.898,1170 3.266,1171 3.329,1172 3.373,1173 3.234,1174 3.037,1175 4.693,1176 3.086,1177 3.249,1178 3.315,1179 3.063,1180 2.963,1181 4.452,1182 2.977,1183 3.111,1184 3.206,1185 2.962,1186 2.941,1187 4.309,1188 2.91,1189 0.136,1190 0.114,1191 0.204,1192 0.125,1193 0.095,1194 4.474,1195 0.125,1196 3.778,1197 0.079,1198 6.741,1199 0.331,1200 4.139,1201 0.095,1202 3.15,1203 4.112,1204 2.612,1205 10.93,1206 3.125,1207 1.953,1208 1.925,1209 2.09,1210 2.1,1211 1.435,1212 2.09,1213 1.923,1214 1.904,1215 2.031,1216 2.055,1217 1.222,1218 2.041,1219 1.787,1220 1.74,1221 1.941,1222 1.954,1223 1.076,1224 1.948,1225 1.46,1226 1.408,1227 1.708,1228 1.746,1229 0.93,1230 1.715,1231 1.423,1232 1.361,1233 1.671,1234 1.698,1235 0.897,1236 1.685,1237 1.198,1238 1.138,1239 1.573,1240 1.519,1241 0.825,1242 1.533,1243 1.167,1244 1.118,1245 1.513,1246 1.501,1247 0.574,1248 1.464,1249 1.153,1250 1.064,1251 1.333,1252 1.376,1253 0.554,1254 1.429,1255 4.205,1257 5.493,1259 6.986,1261 8.569,1263 10.2,1265 1.481,1267 12.457,1271 4.066,1273 10.766,1275 -0.096,1276 2.309,1280 35.848,1281 93.729,1282 201.266,1283 275.847,1284 297.008,1285 297.008,1286 297.008,1287 85.044,1288 7.475,1289 84.59,1290 84.59,1291 18,1292 12.444,1293 4,1294 3.322,1295 58.659,1296 154,1297 153,1298 0.185,1299 220.563,1300 398.48,1301 529.934,1302 19198,1303 1.7,1304 22.217,1305 0.717,1306 0.567,1307 21.51,1308 17.589,1309 15.028,1310 0.455,1311 0.315,1312 10.188,1313 14.187,1314 9.998,1315 8.223,1316 14.528,1317 10.388,1318 12.811,1319 0.291,1320 0.171,1321 12.458,1322 7.528,1323 10.795,1324 0.189,1325 0.098,1326 10.526,1327 5.605,1328 8.474,1329 0.123,1330 0.056,1331 8.379,1332 3.893,1333 6.744,1334 0.079,1335 0.033,1336 6.587,1337 2.815,1338 0.3,1339 96.343,1340 0.215,1341 29.821,1342 0.478,1343 154,1344 584.079,1345 173.45,1346 515.849,1347 667.91,1348 480,1349 178,1350 453.781,1351 197.669,1352 447.512,1353 647.79,1354 418,1355 5.736} {0 CHEMBL491839,1 1.469,2 12.8,3 3.498,4 12.239,5 117.869,6 6.908,7 0.353,8 4.18,9 4.301,10 3.7,11 3.693,12 5.151,13 3.669,14 4.784,15 4.967,16 4.109,17 4.121,18 5.723,19 4.085,20 5.071,21 5.271,22 4.129,23 4.308,24 6.018,25 4.22,26 5.152,27 5.412,28 3.978,29 4.311,30 5.891,31 4.161,32 5.068,33 5.328,34 3.903,35 4.219,36 5.846,37 4.081,38 5.028,39 5.286,40 3.776,41 4.159,42 5.792,43 4.002,44 4.951,45 5.222,46 3.63,47 4.058,48 5.667,49 3.876,50 4.923,51 5.232,52 3.516,53 3.906,54 5.606,55 3.725,56 0.026,57 0.859,58 13.54,59 5.641,60 7.435,61 7.671,62 0.247,63 1.445,64 26.637,65 9.343,66 24.167,67 13.17,68 0.654,69 1.801,70 36.731,71 12.631,72 54.007,73 17.577,74 0.28,75 1.867,76 39.796,77 15.041,78 33.851,79 21.727,80 0.341,81 1.736,82 36.888,83 13.051,84 36.884,85 19.062,86 0.433,87 1.658,88 35.566,89 12.484,90 36.969,91 18.185,92 0.297,93 1.509,94 32.821,95 12.059,96 32.719,97 17.721,98 0.385,99 1.403,100 33.071,101 10.726,102 35.569,103 16.396,104 10,105 50,106 0.24,107 0.537,108 0.732,109 0.823,110 0.828,111 0.834,112 3.44,113 0.953,114 -3.86,115 -3.82,116 -3.63,119 40.7,120 2,121 2,125 6,129 1,140 6,141 2,142 4,156 1,169 8,172 7,174 1,176 1,178 10,181 3,182 7,184 1,186 2,189 6,193 7,197 2,199 3,203 8,211 4,214 1,215 5,218 1,225 1,226 4,233 1,236 1,237 4,244 3,249 1,252 1,256 6,259 1390,260 20.204,261 20.204,262 20.204,263 20.204,264 20.204,265 18.598,266 30.978,267 11.65,268 20.68,269 16.828,270 16.828,271 16.828,272 16.828,273 16.828,274 14.271,275 43.757,276 5.598,277 17.623,278 4.414,279 2.589,280 1.394,281 0.839,282 0.805,283 0.771,284 4.151,288 1,289 1,290 861,291 3.082,294 67.615,295 343.271,298 127.089,299 142.981,302 2.04,303 23.222,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64.5,315 384,316 4.552,317 3.701,318 6.952,319 4.323,320 3.376,321 4.104,322 2.03,323 11.819,324 3.194,325 4.302,326 3.653,327 6.474,328 3.923,329 2.961,330 3.93,331 0.892,332 10.085,333 2.846,334 4.047,335 3.172,336 6.212,337 3.869,338 2.921,339 3.154,340 0.86,341 9.342,342 2.769,343 3.698,344 3.038,345 5.672,346 3.491,347 2.546,348 2.963,349 0.8,350 7.546,351 2.41,352 3.593,353 2.823,354 5.37,355 3.334,356 2.349,357 2.731,358 0.8,359 6.964,360 2.299,361 3.434,362 2.563,363 5.198,364 3.141,365 2.179,366 2.64,367 0.141,368 6.52,369 2.094,370 3.313,371 2.442,372 4.952,373 3.021,374 2.033,375 2.415,377 5.776,378 1.985,379 2.885,380 1.979,381 4.668,382 2.509,383 1.571,384 2.018,386 4.593,387 1.468,388 2.865,389 1.881,390 4.387,391 2.465,392 1.517,393 2.01,395 4.277,396 1.43,397 2.696,398 1.516,399 4.067,400 2.399,401 1.416,402 1.721,404 3.389,405 1.388,406 2.068,407 1.347,408 3.519,409 1.967,410 1,411 1.007,413 2.275,414 0.965,415 2,416 1.146,417 3.414,418 1.826,419 0.878,420 1,422 2.037,423 0.824,424 1.775,425 0.96,426 3.333,427 1.594,428 0.657,429 0.718,431 1.635,432 0.61,433 1.618,434 0.803,435 3.203,436 1.402,437 0.465,438 0.518,440 1.266,441 0.431,442 1.224,443 0.629,444 2.756,445 0.828,446 -0.147,447 -0.171,449 -0.358,450 -0.142,451 14.2,452 0.473,453 0.878,454 0.029,455 35.75,456 1.192,457 15.5,458 0.517,459 20.25,460 0.675,461 29.113,462 0.97,463 33.2,464 0.563,465 24.823,466 0.827,467 6.706,468 0.224,469 7.76,470 0.259,471 0.094,472 0.035,473 0.303,479 0.82,480 1.436,481 0.831,482 1.197,483 0.628,484 1.038,485 1.088,486 1.124,487 0.881,488 0.972,489 0.604,490 0.894,491 1.281,492 0.995,493 1.211,494 1.032,495 1.049,496 1.096,497 0.657,498 1.097,499 0.918,500 1.088,501 0.489,502 1.053,503 0.849,504 1.026,505 0.997,506 1.01,507 0.696,508 1.018,509 0.874,510 0.996,511 1.124,512 1.062,513 0.757,514 1.115,515 0.619,516 1.162,517 1.019,518 1.159,519 0.825,520 1.154,521 0.714,522 0.896,523 0.865,524 0.863,525 0.693,526 0.876,527 7.5,528 0.124,529 3.556,530 2.104,531 1.817,532 1.056,533 0.573,534 0.326,535 0.277,536 0.167,537 14137,538 32022,539 2.157,540 49.2,542 18,545 1,547 10,550 1.721,551 2.034,552 3.63,553 -0.382,555 1,559 86.646,560 1.469,561 3.294,562 4.489,563 5.043,564 5.077,565 5.111,566 3.057,567 4.39,568 4.882,569 3.839,570 1670.02,571 8.471,572 24183.7,574 1,576 1,577 347.076,578 1.481,579 4.84,580 0.221,581 0.005,582 0.071,583 0.044,584 0.044,585 0.028,586 0.018,587 0.012,588 0.012,589 0.007,590 0.462,591 0.5,592 0.88,593 0.496,594 156.952,595 -0.006,596 -0.208,597 0.085,598 -0.081,599 -0.029,601 -0.02,602 0.018,603 0.096,604 0.041,605 0.093,606 0.083,607 -0.042,608 0.079,609 -0.212,610 -0.042,611 -0.036,612 -0.135,613 0.021,614 -0.142,615 0.026,616 -0.076,617 0.05,618 -0.034,619 -0.06,620 -0.038,621 -0.035,622 -0.027,623 -0.019,624 -0.026,625 -0.048,626 -0.001,627 -0.158,628 -0.087,629 -0.06,630 -0.131,631 0.042,632 -0.215,633 -0.073,634 -0.165,635 -0.046,636 -0.146,637 0.05,638 0.017,639 0.119,640 0.064,641 0.024,642 0.096,643 1.754,644 4.538,645 0.833,646 29.933,647 0.996,648 1.127,649 2.63,650 6.919,651 0.649,652 3.555,653 3.932,654 4.19,655 4.5,656 4.771,657 4.804,658 4.905,659 5.043,660 5.106,661 5.13,662 7.753,663 0.611,664 407.56,665 3.555,666 5.13,667 5.989,668 6.893,669 7.769,670 8.673,671 9.556,672 10.46,673 11.347,674 12.25,675 5.1,678 1,681 1,682 1,688 6,693 6,695 12,709 1,712 2,714 59,716 13,717 2,718 34,720 63,721 24,722 12,723 6,724 6,730 5,731 7,736 2,740 1,741 1,743 2,745 13,746 11,747 1,750 1,755 1,759 1,761 1,764 29,765 6,766 1,767 6,773 3,777 0.6,778 3,792 1,793 4,796 1,797 1,805 1,815 1,819 3,823 2,827 30,833 8,834 1,835 2,838 2,839 1,847 5.1,850 1,852 2,854 14.75,855 11.15,856 6.278,857 3.696,858 2.426,859 1.292,860 0.992,861 5.215,862 10.731,863 3.738,864 4.304,865 4.787,866 5.332,867 5.842,868 5.986,869 6.203,870 6.471,871 6.52,872 6.527,873 1,874 48,875 11.157,877 4.834,878 7.547,879 21.999,881 18.929,883 2.047,884 61.417,886 1,887 1,888 329.591,889 121.774,890 24.259,892 47.145,895 121.774,896 376.736,897 24.259,898 17.65,899 38.201,900 56.857,901 29.85,902 50.62,904 329.591,906 329.591,907 146.033,908 47.145,911 211.88,912 164.856,915 58.975,916 87.058,919 329.591,920 71.404,921 121.774,924 329.591,925 47.266,926 80.757,927 18.011,928 47.145,929 329.591,930 71.404,931 121.774,933 0.597,934 0.337,935 0.186,936 0.111,937 27,938 11,939 0.063,940 4,941 2,942 1.16,943 4.269,944 272.924,945 0.16,946 25,947 141.207,951 19.86,952 7.877,953 4.23,955 71.404,956 12.632,961 6.404,963 18.011,964 522.769,965 41,970 11.538,974 -0.087,975 58.774,976 66.521,977 0.25,978 0.56,979 0.763,980 0.857,981 0.863,982 0.869,983 5.03,984 1.571,985 6.014,986 5.776,987 4.615,988 4.99,989 2.572,990 6.864,991 4.525,992 6.231,993 1.517,994 7.596,995 4.593,996 4.369,997 4.868,998 1.738,999 7.966,1000 4.235,1001 7.551,1002 1.416,1003 9.281,1004 4.277,1005 6.293,1006 7.094,1007 3.34,1008 10.988,1009 6.107,1010 8.898,1011 1,1012 11.025,1013 3.389,1014 6.825,1015 7.729,1016 3.226,1017 12.887,1018 6.583,1019 10.276,1020 0.878,1021 12.809,1022 2.275,1023 8.268,1024 9.502,1025 4.509,1026 15.49,1027 7.98,1028 11.674,1029 0.657,1030 14.619,1031 2.037,1032 9.151,1033 10.496,1034 4.754,1035 17.709,1036 8.8,1037 13.088,1038 0.465,1039 16.45,1040 1.635,1041 10.416,1042 12.082,1043 5.817,1044 20.188,1045 10.018,1046 3.376,1047 -0.147,1048 18.296,1049 1.266,1050 11.461,1051 13.262,1052 6.249,1053 22.538,1054 11.001,1055 2.961,1056 11.819,1057 20.154,1058 -0.358,1059 12.664,1060 14.757,1061 7.175,1062 24.986,1063 12.154,1064 2.921,1065 10.085,1066 22.022,1067 4.104,1068 13.785,1069 16.037,1070 7.714,1071 27.392,1072 13.214,1073 2.546,1074 9.342,1075 23.899,1076 3.93,1077 14.97,1078 17.486,1079 8.557,1080 29.836,1081 14.347,1082 2.349,1083 7.546,1084 25.783,1085 3.154,1086 16.128,1087 18.819,1088 9.16,1089 32.268,1090 15.445,1091 2.179,1092 6.964,1093 27.673,1094 2.963,1095 17.313,1096 20.245,1097 9.952,1098 34.716,1099 16.575,1100 2.033,1101 6.52,1102 29.567,1103 2.731,1104 18.49,1105 21.607,1106 10.594,1107 37.161,1108 17.694,1109 12912,1110 19613,1111 23.057,1112 38.279,1113 51.966,1114 53.532,1115 52.488,1116 51.678,1117 51.737,1118 61.855,1119 11.047,1120 155.047,1121 49.428,1122 5.552,1123 5.701,1124 6.468,1125 5.431,1126 5.376,1127 7.104,1128 3.634,1129 19.148,1130 5.194,1131 12.928,1132 1.528,1133 1.574,1134 1.544,1135 1.52,1136 1.522,1137 1.819,1138 0.325,1139 4.56,1140 1.454,1141 4.048,1142 4.08,1143 3.991,1144 3.946,1145 7.429,1146 3.952,1147 3.97,1148 3.993,1149 3.921,1150 3.879,1151 4.89,1152 3.884,1153 3.786,1154 3.85,1155 3.674,1156 3.597,1157 4.84,1158 3.606,1159 3.575,1160 3.626,1161 3.47,1162 3.438,1163 4.407,1164 3.431,1165 3.521,1166 3.564,1167 3.41,1168 3.331,1169 4.33,1170 3.352,1171 3.281,1172 3.347,1173 3.143,1174 3.107,1175 4.241,1176 3.106,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.886,1182 2.91,1183 2.987,1184 3.063,1185 2.865,1186 2.834,1187 3.851,1188 2.821,1189 0.134,1190 0.109,1191 0.204,1192 0.127,1193 0.099,1194 4.552,1195 0.121,1196 3.701,1197 0.06,1198 6.952,1199 0.348,1200 4.323,1201 0.094,1202 3.376,1203 4.104,1204 2.03,1205 11.819,1206 3.194,1207 1.943,1208 1.916,1209 2.064,1210 2.078,1211 1.349,1212 2.076,1213 1.907,1214 1.88,1215 2.015,1216 2.029,1217 1.235,1218 2.023,1219 1.727,1220 1.665,1221 1.931,1222 1.894,1223 1.183,1224 1.91,1225 1.637,1226 1.588,1227 1.853,1228 1.827,1229 1.01,1230 1.838,1231 1.466,1232 1.424,1233 1.677,1234 1.694,1235 0.894,1236 1.691,1237 1.262,1238 1.201,1239 1.515,1240 1.475,1241 0.825,1242 1.492,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.693,1248 1.429,1249 1.011,1250 0.944,1251 1.417,1252 1.239,1253 0.514,1254 1.308,1255 4.234,1257 5.595,1258 2.398,1259 7.141,1260 4.844,1261 8.771,1262 7.034,1263 10.445,1265 4.319,1271 7.142,1272 2.892,1273 11.714,1276 4.974,1277 -0.111,1280 36.057,1281 86.646,1282 194.339,1283 264.837,1284 297.566,1285 299.566,1286 301.566,1287 43.808,1288 8.305,1289 54.04,1290 54.04,1291 29,1292 12.773,1293 3.807,1294 3,1295 42.011,1296 144,1297 118,1298 0.142,1299 215.9,1300 381.05,1301 518.555,1302 55463,1304 20.717,1305 0.691,1306 0.591,1307 20.717,1308 17.74,1309 14.466,1310 0.425,1311 0.318,1312 10.654,1313 13.883,1314 10.341,1315 8.494,1316 14.466,1317 10.806,1318 14.067,1319 0.281,1320 0.181,1321 14.067,1322 9.05,1323 11.335,1324 0.174,1325 0.095,1326 11.335,1327 6.177,1328 9.846,1329 0.111,1330 0.052,1331 9.846,1332 4.634,1333 8.52,1334 0.073,1335 0.029,1336 8.52,1337 3.41,1338 0.231,1339 90.64,1340 0.208,1341 28.816,1342 0.371,1343 168,1344 434.83,1345 185.179,1346 412.83,1347 574.32,1348 390,1349 199,1350 432.547,1351 217.124,1352 434.539,1353 640.72,1354 409,1355 9.801} {0 CHEMBL494631,1 1.363,2 13.222,3 3.962,4 15.697,5 109.716,6 6.695,7 0.567,8 4.067,9 4.195,10 3.563,11 3.616,12 5.032,13 3.572,14 4.634,15 4.832,16 3.876,17 3.995,18 5.524,19 3.931,20 4.886,21 5.114,22 3.9,23 4.148,24 5.713,25 4.037,26 4.952,27 5.212,28 3.755,29 4.117,30 5.686,31 3.957,32 4.926,33 5.209,34 3.643,35 4.024,36 5.624,37 3.862,38 4.785,39 5.05,40 3.551,41 3.937,42 5.516,43 3.775,44 4.721,45 4.998,46 3.462,47 3.863,48 5.416,49 3.695,50 4.609,51 4.877,52 3.404,53 3.791,54 5.311,55 3.629,56 0.05,57 0.773,58 12.415,59 5.116,60 7.961,61 7.177,62 0.209,63 1.289,64 23.196,65 7.977,66 19.636,67 11.631,68 0.354,69 1.567,70 30.311,71 10.747,72 28.21,73 15.544,74 0.273,75 1.562,76 32.399,77 12.481,78 27.049,79 17.934,80 0.298,81 1.479,82 32.176,83 11.631,84 27.614,85 16.824,86 0.282,87 1.329,88 27.607,89 10.167,90 25.223,91 14.776,92 0.235,93 1.251,94 25.865,95 9.563,96 21.717,97 13.974,98 0.165,99 1.127,100 22.876,101 8.708,102 17.045,103 12.705,104 2,105 40,106 0.226,107 0.495,108 0.668,109 0.792,110 0.835,111 0.835,112 3.339,113 0.976,114 -3.92,115 -3.88,116 -3.68,119 42.6,120 1,125 7,140 10,141 2,142 1,144 2,169 10,172 7,178 11,181 2,182 6,189 7,192 1,193 5,199 5,203 4,211 2,214 1,215 5,222 1,225 1,226 4,237 4,249 5,259 1115,260 18.723,261 18.723,262 18.723,263 18.723,264 18.723,265 16.66,266 20.284,267 11.376,268 19.147,269 14.864,270 14.864,271 14.864,272 14.864,273 14.864,274 11.88,275 26.522,276 5.465,277 15.54,278 4.392,279 2.769,280 1.726,281 0.977,282 0.718,283 0.718,284 4.045,287 1,288 1,289 1,290 787,291 2.739,295 337.353,299 128.52,302 2.066,303 12.4,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.5,315 357,316 4.516,317 3.186,318 6.517,319 4.026,320 3.054,321 4.458,322 0.916,323 10.248,324 2.968,325 3.941,326 3.06,327 5.617,328 3.671,329 2.726,330 3.457,331 0.86,332 7.788,333 2.596,334 3.718,335 2.769,336 5.343,337 3.431,338 2.476,339 3.17,340 0.8,341 6.957,342 2.349,343 3.603,344 2.599,345 5.31,346 3.286,347 2.337,348 2.648,349 0.172,350 6.708,351 2.216,352 3.299,353 2.343,354 4.954,355 3.015,356 2.085,357 2.616,359 5.867,360 1.931,361 3.175,362 2.143,363 4.813,364 2.844,365 1.886,366 2.25,368 5.291,369 1.798,370 2.991,371 1.606,372 4.196,373 2.513,374 1.525,375 2.21,377 3.817,378 1.505,379 2.826,380 1.523,381 3.6,382 2.42,383 1.426,384 1.929,386 3.05,387 1.416,388 2.5,389 1.457,390 3.517,391 2.151,392 1.222,393 1.5,395 2.703,396 1.125,397 2.49,398 1.146,399 3.414,400 2,401 1,402 1.487,404 2.275,405 1,406 2.136,407 1,408 3.308,409 1.967,410 1,411 1.08,413 2.136,414 0.965,415 2,416 0.966,417 3.247,418 1.834,419 0.865,420 1,422 1.997,423 0.834,424 1.384,425 0.508,426 2.88,427 1.191,428 0.249,429 0.273,431 0.608,432 0.233,433 1.157,434 0.203,435 2.635,436 0.874,437 -0.077,438 -0.089,440 -0.193,441 -0.073,442 1.148,443 -0.015,444 2.445,445 0.737,446 -0.237,447 -0.313,449 -0.563,450 -0.231,451 13.033,452 0.483,453 0.482,454 0.018,455 34,456 1.259,457 16.5,458 0.611,459 17.5,460 0.648,461 21.938,462 0.813,463 28.967,464 0.536,465 22.485,466 0.833,467 6.865,468 0.254,469 6.411,470 0.237,471 0.038,473 0.253,479 0.897,480 1.416,481 0.875,482 1.167,483 0.85,484 1.042,485 1.558,486 1.1,487 1.044,488 0.939,489 1.029,490 0.933,491 1.386,492 0.976,493 1.141,494 1.002,495 1.164,496 1.037,497 0.924,498 1.09,499 1.013,500 1.122,501 0.831,502 1.088,503 1.338,504 0.895,505 0.97,506 0.895,507 1.159,508 0.905,509 1.115,510 1.034,511 1.072,512 1.04,513 1.135,514 1.055,515 0.989,516 0.969,517 1.012,518 0.984,519 1.015,520 1,521 0.883,522 1.058,523 0.996,524 1.038,525 0.926,526 1.031,527 4.5,528 0.111,529 2.222,530 1.188,531 1.12,532 0.424,533 0.422,534 0.248,535 0.127,536 0.115,537 10912,538 22562,539 2.165,540 50,542 24,546 3,550 1.692,551 2.104,552 3.657,553 -0.843,555 1,559 73.585,560 1.363,561 2.986,562 4.029,563 4.778,564 5.037,565 5.037,566 3.102,567 4.31,568 4.728,569 3.844,570 1349.08,571 8.157,572 18533.7,574 1,576 1,577 310.764,578 1.038,579 4.719,580 0.15,581 0.007,582 0.056,583 0.03,584 0.035,585 0.015,586 0.016,587 0.01,588 0.006,589 0.006,590 0.33,591 0.5,592 1,593 0.352,594 137.898,595 0.059,596 -0.239,597 0.085,598 -0.094,599 0.053,600 -0.018,601 -0.164,602 0.037,603 -0.03,604 0.033,605 0.013,606 0.02,607 -0.055,608 0.087,609 -0.133,610 -0.036,611 -0.042,612 -0.081,613 0.088,614 -0.143,615 -0.034,616 -0.131,617 0.128,618 -0.1,619 -0.083,620 0.029,621 0.035,622 0.065,623 -0.089,624 0.06,626 -0.071,627 -0.081,628 -0.068,629 -0.121,630 -0.082,631 -0.017,632 -0.01,633 -0.028,634 -0.018,635 -0.099,636 -0.026,637 -0.029,638 -0.097,639 -0.025,640 -0.054,641 -0.079,642 -0.043,643 0.786,644 2.589,645 0.815,646 27.959,647 0.986,648 1.124,649 2.691,650 7.244,651 0.659,652 3.434,653 3.714,654 3.951,655 4.19,656 4.419,657 4.369,658 4.431,659 4.522,660 4.564,661 4.564,662 7.663,663 0.613,664 361.53,665 3.434,666 4.949,667 5.778,668 6.629,669 7.471,670 8.327,671 9.174,672 10.032,673 10.882,674 11.742,675 5.6,678 2,685 1,687 2,688 10,689 1,693 3,695 17,712 1,714 54,716 17,717 2,718 30,720 57,721 23,722 15,723 4,724 8,730 4,731 5,736 1,745 15,746 8,761 1,764 27,765 4,767 4,773 3,777 0.75,778 1,786 1,793 4,797 1,815 2,819 3,823 1,827 27,833 7,835 1,838 2,847 1.9,852 1,854 12.833,855 9.85,856 5.972,857 3.353,858 3.141,859 1.416,860 0.996,861 5.784,862 10.685,863 3.676,864 4.234,865 4.785,866 5.349,867 5.899,868 6.031,869 6.308,870 6.625,871 6.878,872 6.579,873 0.889,874 39,875 9.996,877 4.131,878 7.401,879 19.893,881 16.376,883 1.901,884 51.333,886 1,887 1,888 317.82,889 136.717,890 23.034,892 11,895 136.717,896 328.82,897 23.034,898 8.825,899 17.227,900 94.762,901 16.786,902 33.151,904 317.82,906 317.82,907 159.751,908 11,911 317.82,912 11,915 37.201,916 105.764,917 16.786,919 317.82,920 34.034,921 136.717,924 317.82,925 33.129,926 109.836,928 27.785,929 317.82,930 34.034,931 136.717,933 0.569,934 0.324,935 0.178,936 0.1,937 19,938 7,939 0.105,940 6,941 1,942 1.091,943 4.151,944 219.087,945 0.091,946 22,947 118.382,951 18.12,952 8.619,953 4.723,954 2.095,955 34.034,956 20.984,957 4.581,961 3.366,964 488.571,965 38.5,975 53.236,976 60.687,977 0.237,978 0.519,979 0.7,980 0.83,981 0.875,982 0.875,983 4.885,984 1.426,985 5.72,986 3.817,987 4.394,988 4.92,989 1.598,990 6.457,991 4.31,992 6.046,993 1.222,994 7.223,995 3.05,996 3.761,997 4.543,998 0.57,999 7.182,1000 3.62,1001 7.317,1002 1,1003 8.824,1004 2.703,1005 5.911,1006 7.074,1007 1.256,1008 10.266,1009 5.743,1010 8.623,1011 1,1012 10.484,1013 2.275,1014 6.111,1015 7.595,1016 0.581,1017 11.873,1018 5.894,1019 9.964,1020 0.865,1021 12.186,1022 2.136,1023 7.685,1024 9.57,1025 1.023,1026 14.451,1027 7.444,1028 11.331,1029 0.249,1030 13.917,1031 1.997,1032 8.309,1033 10.564,1034 0.515,1035 16.454,1036 8.029,1037 12.72,1038 -0.077,1039 15.671,1040 0.608,1041 9.617,1042 12.28,1043 0.84,1044 18.861,1045 9.314,1046 3.054,1047 -0.237,1048 17.443,1049 -0.193,1050 10.468,1051 13.525,1052 0.441,1053 21.043,1054 10.132,1055 2.726,1056 10.248,1057 19.231,1058 -0.563,1059 11.652,1060 15.118,1061 0.689,1062 23.393,1063 11.293,1064 2.476,1065 7.788,1066 21.031,1067 4.458,1068 12.622,1069 16.491,1070 0.373,1071 25.656,1072 12.235,1073 2.337,1074 6.957,1075 22.842,1076 3.457,1077 13.752,1078 18.028,1079 0.564,1080 27.987,1081 13.341,1082 2.085,1083 6.708,1084 24.662,1085 3.17,1086 14.786,1087 19.464,1088 0.314,1089 30.285,1090 14.348,1091 1.886,1092 5.867,1093 26.491,1094 2.648,1095 15.894,1096 20.976,1097 0.461,1098 32.612,1099 15.433,1100 1.525,1101 5.291,1102 28.326,1103 2.616,1104 16.961,1105 22.442,1106 0.264,1107 34.925,1108 16.474,1109 10123,1110 14669,1111 20.86,1112 35.608,1113 43.79,1114 43.899,1115 44.099,1116 43.738,1117 43.703,1118 56.153,1119 5.498,1120 118.888,1121 41.874,1122 5.516,1123 5.186,1124 6.319,1125 5.1,1126 5.054,1127 7.458,1128 1.776,1129 17.078,1130 4.968,1131 7.09,1132 1.46,1133 1.463,1134 1.47,1135 1.458,1136 1.457,1137 1.872,1138 0.183,1139 3.963,1140 1.396,1141 4.076,1142 4.102,1143 4.037,1144 3.999,1145 5.016,1146 4.005,1147 3.943,1148 3.991,1149 3.861,1150 3.86,1151 4.755,1152 3.855,1153 3.794,1154 3.854,1155 3.683,1156 3.615,1157 4.58,1158 3.623,1159 3.544,1160 3.591,1161 3.445,1162 3.428,1163 4.352,1164 3.423,1165 3.42,1166 3.489,1167 3.274,1168 3.226,1169 4.225,1170 3.228,1171 3.142,1172 3.211,1173 3.01,1174 2.98,1175 3.9,1176 2.974,1177 3.111,1178 3.206,1179 2.892,1180 2.941,1181 3.801,1182 2.912,1183 3.072,1184 3.153,1185 2.866,1186 2.932,1187 3.674,1188 2.91,1189 0.151,1190 0.106,1191 0.217,1192 0.134,1193 0.102,1194 4.516,1195 0.149,1196 3.186,1197 0.031,1198 6.517,1199 0.342,1200 4.026,1201 0.099,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.34,1212 2.12,1213 1.922,1214 1.888,1215 2.062,1216 2.055,1217 1.22,1218 2.06,1219 1.76,1220 1.691,1221 1.96,1222 1.94,1223 1.129,1224 1.953,1225 1.535,1226 1.49,1227 1.744,1228 1.704,1229 0.956,1230 1.716,1231 1.399,1232 1.331,1233 1.672,1234 1.613,1235 0.825,1236 1.638,1237 1.153,1238 1.068,1239 1.513,1240 1.376,1241 0.804,1242 1.429,1243 1.134,1244 1.064,1245 1.425,1246 1.352,1247 0.638,1248 1.377,1249 1.104,1250 1.028,1251 1.421,1252 1.301,1253 0.479,1254 1.348,1255 4.111,1257 5.398,1259 6.887,1261 8.466,1263 10.091,1265 2.018,1271 7.172,1273 6.089,1276 5.028,1280 33.101,1281 73.585,1282 161.229,1283 217.57,1284 258.009,1285 272.009,1286 272.009,1287 32.284,1288 7.544,1289 28.6,1290 28.6,1291 24,1292 12.294,1293 4.17,1294 3.248,1295 40.644,1296 127,1297 113,1298 0.154,1299 202.781,1300 344.99,1301 486.545,1302 22642,1304 18.476,1305 0.684,1306 0.592,1307 18.476,1308 15.973,1309 13.276,1310 0.443,1311 0.325,1312 9.644,1313 12.868,1314 9.385,1315 7.761,1316 13.276,1317 9.756,1318 11.591,1319 0.29,1320 0.181,1321 11.591,1322 7.227,1323 9.604,1324 0.188,1325 0.102,1326 9.604,1327 5.21,1328 8.008,1329 0.123,1330 0.056,1331 8.008,1332 3.652,1333 6.676,1334 0.081,1335 0.032,1336 6.676,1337 2.634,1338 0.253,1339 82.197,1340 0.219,1341 26.746,1342 0.394,1343 140,1344 332.671,1345 149.76,1346 325.411,1347 456.75,1348 310,1349 161,1350 339.497,1351 171.926,1352 346.561,1353 504.61,1354 327,1355 9} {0 CHEMBL494678,1 1.458,2 9.727,3 2.31,4 5.337,5 88.663,6 7.36,7 0.5,8 3.788,9 3.93,10 3.351,11 3.298,12 4.923,13 3.285,14 4.314,15 4.524,16 3.683,17 3.678,18 5.354,19 3.641,20 4.548,21 4.774,22 3.71,23 3.855,24 5.53,25 3.775,26 4.627,27 4.888,28 3.596,29 3.818,30 5.583,31 3.694,32 4.554,33 4.84,34 3.535,35 3.684,36 5.483,37 3.584,38 4.36,39 4.597,40 3.478,41 3.577,42 5.407,43 3.505,44 4.374,45 4.639,46 3.3,47 3.53,48 5.405,49 3.414,50 4.28,51 4.569,52 3.075,53 3.396,54 5.171,55 3.237,56 0.024,57 0.654,58 8.232,59 3.054,60 10.051,61 4.441,62 0.236,63 1.012,64 15.704,65 5.048,66 18.423,67 7.496,68 0.203,69 1.203,70 20.229,71 6.719,72 21.94,73 10.08,74 0.204,75 1.194,76 22.988,77 7.891,78 34.186,79 11.948,80 0.249,81 1.084,82 22.29,83 6.534,84 33.362,85 10.361,86 0.17,87 0.977,88 17.074,89 4.808,90 26.428,91 7.629,92 0.276,93 0.926,94 18.058,95 5.344,96 37.12,97 8.256,98 0.107,99 0.778,100 16.837,101 5.848,102 23.159,103 8.972,104 11,105 33,106 0.258,107 0.618,108 0.72,109 0.789,110 0.789,111 0.789,112 3.147,113 0.905,114 -3.68,115 -3.64,116 -3.47,119 40,124 1,125 4,140 5,141 2,144 1,145 1,148 1,156 1,161 1,162 1,163 1,169 6,171 2,172 5,173 2,174 2,178 7,181 1,182 4,189 5,192 1,193 6,194 1,195 1,197 2,199 2,201 2,202 1,203 7,208 2,211 1,213 2,215 4,220 2,224 2,225 2,226 4,228 1,229 1,231 1,235 1,237 2,248 2,249 2,251 1,252 1,259 624,260 14.903,261 14.903,262 14.903,263 14.903,264 14.903,265 13.426,266 18.593,267 8.751,268 15.296,269 11.786,270 11.786,271 11.786,272 11.786,273 11.786,274 9.445,275 25.88,276 4.113,277 12.426,278 3.864,279 1.832,280 1.259,281 0.869,282 0.869,283 0.869,284 3.828,287 1,288 1,289 1,290 456,291 2.121,295 210.993,302 1.455,303 16.136,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 47,315 214,316 4.362,317 4.057,318 6.303,319 3.97,320 3.018,321 4.031,322 2.035,323 9.651,324 2.892,325 4.068,326 3.182,327 6.025,328 3.694,329 2.74,330 3.605,331 0.8,332 8.667,333 2.603,334 3.811,335 2.857,336 5.31,337 3.415,338 2.454,339 3.074,340 0.8,341 6.822,342 2.362,343 3.54,344 2.618,345 5.103,346 3.209,347 2.267,348 2.751,350 6.24,351 2.123,352 3.279,353 2.415,354 4.949,355 3.004,356 2.091,357 2.346,359 5.785,360 1.904,361 3.1,362 2.219,363 4.311,364 2.4,365 1.437,366 2.012,368 4.021,369 1.381,370 2.71,371 1.554,372 4.144,373 2.162,374 1.229,375 1.516,377 3.495,378 1.144,379 2.5,380 1.292,381 3.414,382 2,383 1,384 1.5,386 2.275,387 1,388 2.499,389 1.146,390 3.414,391 1.967,392 1,393 1,395 2.275,396 0.965,397 2,398 1,399 2.842,400 1.439,401 0.492,402 0.962,404 0.759,405 0.464,406 1.106,407 0.125,408 2.666,409 0.8,410 -0.149,411 -0.158,413 -0.34,414 -0.141,415 1,416 0.025,417 2.468,418 0.584,419 -0.367,420 -0.489,422 -0.837,423 -0.346,424 0.848,425 -0.247,426 2.131,427 0.467,428 -0.468,429 -0.647,431 -1.064,432 -0.44,433 0.587,434 -0.578,435 2,436 0.143,437 -0.8,438 -1,440 -2.194,441 -0.75,442 0.5,443 -0.6,444 2,446 -1,447 -1.04,449 -3,450 -0.9,451 10.4,452 0.473,453 0.52,454 0.024,455 31,456 1.409,457 16,458 0.727,459 15,460 0.682,461 14.93,462 0.679,463 23.2,464 0.58,465 20.813,466 0.946,467 6.065,468 0.276,469 4.587,470 0.209,471 0.125,473 0.317,479 0.989,480 1.5,481 0.806,482 1.131,483 0.685,484 0.974,485 1.038,486 0.865,487 0.874,488 0.797,489 0.354,490 0.809,491 1.115,492 1.035,493 1.069,494 1.029,495 0.61,496 1.041,497 0.742,498 1.071,499 0.969,500 1.128,501 0.809,502 1.089,503 1.041,504 0.894,505 0.854,506 0.796,507 0.848,508 0.798,509 1.428,510 1.244,511 1.148,512 1.082,513 0.982,514 1.076,515 1.208,516 0.841,517 1.197,518 0.985,519 1.035,520 1.072,521 0.592,522 1.071,523 0.87,524 1.109,525 0.668,526 1.042,527 5,528 0.033,529 2.444,530 0.938,531 1.138,532 1.007,533 0.402,534 0.267,535 0.209,536 0.118,537 4866,538 12760,539 2.07,540 45,542 16,545 2,550 1.645,551 1.941,552 3.257,553 0.348,554 1,555 1,557 1,559 58.309,560 1.458,561 3.49,562 4.063,563 4.453,564 4.453,565 4.453,566 2.716,567 3.914,568 4.427,569 3.349,570 773.557,571 7.61,572 8401.95,573 1,574 1,576 1,577 212.877,578 1.395,579 4.392,580 0.208,581 0.005,582 0.074,583 0.028,584 0.041,585 0.037,586 0.016,587 0.013,588 0.013,589 0.011,590 0.447,591 0.67,592 1,593 0.797,594 100.91,595 -0.07,596 -0.287,597 0.052,598 -0.092,599 -0.007,600 -0.017,601 0.081,602 0.257,603 0.064,604 0.17,605 0.164,606 0.124,607 -0.158,608 0.017,609 -0.134,610 -0.036,611 0.001,612 -0.074,613 0.087,614 -0.132,615 -0.005,616 -0.119,617 0.014,618 -0.083,619 -0.023,620 0.027,621 0.157,622 0.159,623 -0.014,624 0.18,625 -0.268,626 -0.194,627 -0.18,628 -0.15,629 -0.128,630 -0.152,631 -0.095,632 0.149,633 -0.208,634 -0.049,635 -0.105,636 -0.129,637 0.111,638 -0.224,639 0.115,640 -0.081,641 0.128,642 0.001,643 1.393,644 2.873,645 0.818,646 17.488,647 0.998,648 1.137,649 2.446,650 5.983,651 0.665,652 3.219,653 3.526,654 3.761,655 3.989,656 4.263,657 4.304,658 4.369,659 4.443,660 4.489,661 4.489,662 5.51,663 0.632,664 294.4,665 3.219,666 4.745,667 5.58,668 6.444,669 7.298,670 8.167,671 9.028,672 9.9,673 10.764,674 11.638,675 15,678 1,679 1,681 1,684 1,685 2,688 5,689 2,693 5,695 12,697 1,705 1,709 1,714 40,716 13,717 1,718 24,720 42,721 16,722 10,723 2,724 4,730 3,731 3,744 1,745 10,746 5,760 1,761 1,764 18,765 6,766 2,767 6,773 6,777 1,787 1,793 3,815 1,819 3,823 1,827 22,828 1,833 4,838 2,840 1,843 1,845 1,854 11.333,855 7.5,856 4.889,857 2.331,858 2.47,859 1.362,860 0.986,861 4.125,862 9.286,863 3.497,864 4.025,865 4.585,866 5.122,867 5.682,868 5.956,869 6.358,870 6.623,871 6.989,872 7.224,873 0.857,874 33,875 8.066,877 3.341,878 7.72,879 15.491,881 12.501,883 2.22,884 48.833,887 1,888 188.338,889 94.157,890 103.776,895 94.157,896 188.338,897 103.776,898 8.396,899 8.423,900 80.278,901 50.173,902 46.436,903 4.227,904 188.338,906 188.338,907 197.933,911 188.338,915 47.262,916 117.1,917 33.571,919 188.338,920 103.776,921 94.157,924 188.338,925 21.778,926 62.026,927 16.602,928 97.528,929 188.338,930 103.776,931 94.157,933 0.578,934 0.332,935 0.172,936 0.102,937 16,938 7,939 0.048,940 2,942 1,943 3.434,944 170.237,946 18,947 90.107,951 14.618,952 6.209,953 3.315,955 103.776,956 9.289,957 8.68,961 3.482,963 32.897,964 386.271,965 32,975 39.912,976 45.481,977 0.274,978 0.656,979 0.763,980 0.837,981 0.837,982 0.837,983 4.736,984 1,985 5.557,986 3.495,987 4.205,988 4.71,989 2.416,990 6.326,991 4.105,992 5.931,993 1,994 7.091,995 2.275,996 3.761,997 4.388,998 0.57,999 7.125,1000 3.594,1001 7.219,1002 0.492,1003 8.717,1004 2.275,1005 5.765,1006 6.828,1007 3.589,1008 10.17,1009 5.57,1010 8.536,1011 -0.149,1012 10.396,1013 0.759,1014 6.089,1015 7.297,1016 0.479,1017 11.76,1018 5.832,1019 9.88,1020 -0.367,1021 12.108,1022 -0.34,1023 7.573,1024 9.217,1025 4.966,1026 14.317,1027 7.289,1028 11.244,1029 -0.468,1030 13.843,1031 -0.837,1032 8.263,1033 10.078,1034 0.346,1035 16.258,1036 7.925,1037 12.623,1038 -0.8,1039 15.596,1040 -1.064,1041 9.52,1042 11.751,1043 6.378,1044 18.628,1045 9.15,1046 3.018,1047 -1,1048 17.361,1049 -2.194,1050 10.399,1051 12.83,1052 0.237,1053 20.734,1054 9.98,1055 2.74,1056 9.651,1057 19.137,1058 -3,1059 11.554,1060 14.372,1061 7.797,1062 23.029,1063 11.1,1064 2.454,1065 8.667,1066 20.922,1067 4.031,1068 12.532,1069 15.577,1070 0.158,1071 25.212,1072 12.032,1073 2.267,1074 6.822,1075 22.714,1076 3.605,1077 13.642,1078 17.047,1079 9.217,1080 27.478,1081 13.105,1082 2.091,1083 6.24,1084 24.512,1085 3.074,1086 14.672,1087 18.325,1088 0.104,1089 29.697,1090 14.09,1091 1.437,1092 5.785,1093 26.314,1094 2.751,1095 15.766,1096 19.756,1097 10.638,1098 31.954,1099 15.145,1100 1.229,1101 4.021,1102 28.121,1103 2.346,1104 16.824,1105 21.078,1106 0.068,1107 34.191,1108 16.159,1109 4776,1110 7851,1111 16.008,1112 26.603,1113 37.071,1114 38.387,1115 36.633,1116 35.521,1117 35.457,1118 45.591,1119 7.269,1120 99.98,1121 33.677,1122 5.362,1123 6.057,1124 5.853,1125 5.046,1126 5.018,1127 7.031,1128 4.069,1129 16.129,1130 4.892,1131 10.32,1132 1.545,1133 1.599,1134 1.526,1135 1.48,1136 1.477,1137 1.9,1138 0.303,1139 4.166,1140 1.403,1141 4.007,1142 4.05,1143 3.965,1144 3.92,1145 6.82,1146 3.924,1147 3.84,1148 3.898,1149 3.764,1150 3.676,1151 5.225,1152 3.692,1153 3.672,1154 3.737,1155 3.59,1156 3.487,1157 4.733,1158 3.504,1159 3.209,1160 3.306,1161 3.162,1162 3.03,1163 4.536,1164 3.056,1165 3.173,1166 3.244,1167 3.028,1168 2.941,1169 4.33,1170 2.92,1171 3.111,1172 3.206,1173 2.866,1174 2.911,1175 3.948,1176 2.91,1177 2.955,1178 3.057,1179 2.792,1180 2.735,1181 3.684,1182 2.721,1183 2.854,1184 2.925,1185 2.687,1186 2.71,1187 3.674,1188 2.715,1189 0.182,1190 0.169,1191 0.263,1192 0.165,1193 0.126,1194 4.362,1195 0.168,1196 4.057,1197 0.085,1198 6.303,1199 0.402,1200 3.97,1201 0.121,1202 3.018,1203 4.031,1204 2.035,1205 9.651,1206 2.892,1207 1.956,1208 1.929,1209 2.043,1210 2.078,1211 1.292,1212 2.067,1213 1.794,1214 1.732,1215 1.978,1216 1.978,1217 1.116,1218 1.984,1219 1.607,1220 1.548,1221 1.721,1222 1.811,1223 0.825,1224 1.792,1225 1.171,1226 1.086,1227 1.526,1228 1.464,1229 0.755,1230 1.487,1231 1.153,1232 1.064,1233 1.513,1234 1.376,1235 0.607,1236 1.429,1237 1.095,1238 1.023,1239 1.258,1240 1.326,1241 0.242,1242 1.314,1243 0.907,1244 0.821,1245 1.181,1246 1.192,1247 0.218,1248 1.184,1249 0.886,1250 0.811,1251 1.133,1252 1.062,1253 0.079,1254 1.107,1255 3.892,1257 5.198,1259 6.706,1261 8.297,1263 9.932,1265 2.119,1269 5.875,1271 3.881,1276 4.522,1278 8.873,1279 2.114,1280 25.289,1281 58.309,1282 139.604,1283 162.513,1284 178.122,1285 178.122,1286 178.122,1287 28.146,1288 6.816,1289 82.07,1290 82.07,1291 18,1292 12.18,1293 3.807,1294 3.17,1295 34.446,1296 72,1297 80,1298 0.239,1299 159.414,1300 271.36,1301 380.731,1302 7330,1304 15.527,1305 0.706,1306 0.569,1307 15.527,1308 12.529,1309 10.652,1310 0.444,1311 0.302,1312 7.129,1313 10.232,1314 6.939,1315 5.763,1316 10.652,1317 7.241,1318 9.541,1319 0.289,1320 0.165,1321 9.541,1322 5.449,1323 7.878,1324 0.188,1325 0.092,1326 7.878,1327 3.867,1328 6.306,1329 0.119,1330 0.047,1331 6.306,1332 2.514,1333 5.302,1334 0.076,1335 0.026,1336 5.302,1337 1.819,1338 0.369,1339 66.644,1340 0.25,1341 21.638,1342 0.669,1343 114,1344 311.538,1345 124.213,1346 312.898,1347 429.73,1348 292,1349 132,1350 319.465,1351 142.547,1352 328.298,1353 473.23,1354 307,1355 6.921} {0 CHEMBL494806,1 1.45,2 14.806,3 3.082,4 9.501,5 122.798,6 6.862,7 0.5,8 4.189,9 4.319,10 3.694,11 3.711,12 5.202,13 3.678,14 4.751,15 4.949,16 4.024,17 4.087,18 5.722,19 4.034,20 5.002,21 5.221,22 4.044,23 4.249,24 5.921,25 4.156,26 5.074,27 5.328,28 3.956,29 4.252,30 5.883,31 4.112,32 5.07,33 5.335,34 3.862,35 4.188,36 5.882,37 4.045,38 4.982,39 5.248,40 3.783,41 4.108,42 5.774,43 3.959,44 4.905,45 5.168,46 3.699,47 4.034,48 5.704,49 3.886,50 4.856,51 5.13,52 3.671,53 4,54 5.605,55 3.852,56 0.04,57 0.892,58 13.734,59 5.581,60 7.928,61 7.809,62 0.268,63 1.443,64 25.88,65 8.722,66 27.2,67 12.787,68 0.459,69 1.744,70 34.112,71 11.38,72 43.137,73 16.442,74 0.29,75 1.757,76 36.605,77 13.799,78 35.807,79 19.939,80 0.397,81 1.7,82 37.286,83 13.123,84 44.28,85 18.938,86 0.345,87 1.582,88 33.912,89 11.969,90 36.934,91 17.589,92 0.387,93 1.494,94 31.472,95 10.714,96 38.366,97 15.861,98 0.276,99 1.421,100 29.796,101 10.535,102 25.344,103 15.618,104 12,105 46,106 0.234,107 0.536,108 0.715,109 0.836,110 0.863,111 0.863,112 3.471,113 0.959,114 -3.38,115 -3.36,116 -3.22,119 41,120 2,125 7,140 9,141 2,142 2,144 2,156 1,169 8,172 8,174 1,176 3,178 9,181 2,182 6,186 2,189 6,192 1,193 6,197 1,199 7,203 6,206 1,211 4,214 1,215 6,222 2,225 2,226 4,237 4,240 1,249 5,259 1685,260 21.032,261 21.032,262 21.032,263 21.032,264 21.032,265 18.79,266 27.124,267 12.649,268 21.478,269 16.847,270 16.847,271 16.847,272 16.847,273 16.847,274 13.514,275 38.198,276 6.076,277 17.559,278 4.48,279 2.608,280 1.496,281 0.746,282 0.582,283 0.582,284 4.171,288 1,289 1,290 994,291 3.464,295 403.296,299 156.288,302 2.366,303 20.138,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 459,316 4.516,317 3.533,318 6.517,319 4.026,320 3.054,321 4.458,322 1.907,323 10.248,324 2.968,325 4.104,326 3.186,327 5.71,328 3.753,329 2.785,330 3.687,331 0.916,332 8.087,333 2.705,334 3.721,335 3.069,336 5.468,337 3.548,338 2.61,339 3.17,340 0.86,341 7.339,342 2.436,343 3.688,344 2.805,345 5.324,346 3.305,347 2.357,348 2.849,349 0.8,350 6.739,351 2.245,352 3.541,353 2.61,354 5.224,355 3.268,356 2.306,357 2.64,358 0.172,359 6.638,360 2.212,361 3.304,362 2.5,363 4.877,364 3.022,365 2.059,366 2.61,367 0.149,368 5.647,369 1.966,370 3.257,371 2.157,372 4.813,373 2.848,374 1.888,375 2.395,377 5.291,378 1.805,379 3.028,380 2.078,381 4.355,382 2.715,383 1.719,384 2.218,386 4.374,387 1.696,388 2.987,389 1.601,390 4.196,391 2.511,392 1.523,393 2.079,395 3.817,396 1.504,397 2.656,398 1.465,399 3.528,400 2.193,401 1.234,402 1.723,404 2.719,405 1.188,406 2.49,407 1.252,408 3.486,409 2.145,410 1.178,411 1.487,413 2.601,414 1.122,415 2.136,416 1.146,417 3.414,418 1.967,419 1,420 1.08,422 2.275,423 0.965,424 2,425 0.966,426 3.312,427 1.834,428 0.865,429 1,431 1.999,432 0.835,433 1.384,434 0.608,435 2.947,436 1.191,437 0.25,438 0.273,440 0.62,441 0.234,442 1.197,443 0.508,444 2.671,445 0.876,446 -0.076,447 -0.088,449 -0.195,450 -0.072,451 14.767,452 0.476,453 0.694,454 0.022,455 38.75,456 1.25,457 18.5,458 0.597,459 20.25,460 0.653,461 26.797,462 0.864,463 33.833,464 0.555,465 28.09,466 0.906,467 7.832,468 0.253,469 7.232,470 0.233,471 0.09,473 0.291,479 0.817,480 1.456,481 0.856,482 1.189,483 0.622,484 1.048,485 1.147,486 1.14,487 0.958,488 0.955,489 0.598,490 0.923,491 1.397,492 0.963,493 1.191,494 0.978,495 1.191,496 1.038,497 0.74,498 1.09,499 0.948,500 1.122,501 0.489,502 1.073,503 1.135,504 0.931,505 1.02,506 0.976,507 0.93,508 0.988,509 0.915,510 1.045,511 0.997,512 1.036,513 0.768,514 1.031,515 1.014,516 1.024,517 1.095,518 1.025,519 1.006,520 1.063,521 0.788,522 0.953,523 0.958,524 0.977,525 0.63,526 0.981,527 6.5,528 0.169,529 2.444,530 1.75,531 1.351,532 0.708,533 0.584,534 0.326,535 0.234,536 0.171,537 15676,538 37001,539 2.104,540 49.2,542 23,545 1,546 6,550 1.728,551 2,552 3.812,553 -0.393,555 1,559 88.472,560 1.45,561 3.322,562 4.435,563 5.185,564 5.349,565 5.349,566 3.229,567 4.672,568 4.927,569 4.028,570 1873.19,571 8.558,572 29097.2,574 1,577 361.775,578 1.277,579 4.899,580 0.191,581 0.008,582 0.053,583 0.039,584 0.034,585 0.02,586 0.018,587 0.011,588 0.008,589 0.007,590 0.388,591 0.5,592 1,593 0.805,594 166.539,595 0.004,596 -0.236,597 0.069,598 -0.091,599 -0.019,600 -0.018,601 -0.044,602 0.002,603 0.028,604 0.037,605 0.102,606 0.043,607 -0.163,608 0.121,609 -0.19,610 -0.006,611 -0.14,612 -0.084,613 0.072,614 -0.13,615 0.012,616 -0.109,617 0.112,618 -0.063,619 -0.07,620 0.011,621 -0.027,622 0.003,623 -0.06,624 -0.007,625 0.008,626 -0.092,627 -0.017,628 -0.055,629 -0.016,630 -0.044,631 -0.034,632 -0.039,633 -0.107,634 -0.061,635 -0.102,636 -0.092,637 -0.002,638 0.018,639 0.012,640 -0.001,641 -0.009,642 0.007,643 1.706,644 4.265,645 0.71,646 35.979,647 0.993,648 1.128,649 2.149,650 4.618,651 0.653,652 3.555,653 3.85,654 4.06,655 4.317,656 4.533,657 4.533,658 4.585,659 4.691,660 4.718,661 4.754,662 8.672,663 0.613,664 418.59,665 3.555,666 5.081,667 5.905,668 6.765,669 7.603,670 8.466,671 9.31,672 10.174,673 11.021,674 11.886,675 6.6,678 2,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 61,716 18,717 2,718 34,720 64,721 25,722 15,723 5,724 7,730 4,731 5,736 2,745 16,746 9,750 1,755 1,759 1,761 1,764 30,765 6,766 1,767 6,773 4,777 0.75,778 2,786 1,793 4,797 1,805 1,815 2,819 3,823 2,827 31,833 7,834 1,835 1,838 2,847 3.3,850 1,852 1,854 15.5,855 11.433,856 6.806,857 3.714,858 3.34,859 1.423,860 0.983,861 7.054,862 11.228,863 3.795,864 4.357,865 4.869,866 5.451,867 5.99,868 6.174,869 6.43,870 6.747,871 6.941,872 6.687,873 0.9,874 45,875 11.467,877 4.741,878 7.57,879 22.452,881 18.291,883 2.07,884 64.167,887 1,888 341.362,889 143.527,890 41.045,892 36.145,895 143.527,896 377.507,897 41.045,898 17.65,899 35.237,900 85.286,901 46.635,902 35.908,904 341.362,906 341.362,907 184.572,908 36.145,911 341.362,912 36.145,915 64.037,916 103.75,917 16.786,919 341.362,920 77.19,921 143.527,924 341.362,925 40.591,926 109.185,927 18.011,928 52.93,929 341.362,930 77.19,931 143.527,933 0.574,934 0.316,935 0.175,936 0.098,937 21,938 9,939 0.109,940 7,941 1,942 1.091,943 4.443,944 262.679,945 0.091,946 22,947 147.58,951 21.603,952 10.123,953 5.962,954 2.049,955 77.19,956 18.27,957 4.58,961 4.009,963 18.011,964 562.079,965 43.5,970 11.265,974 -0.039,975 60.549,976 68.81,977 0.245,978 0.56,979 0.748,980 0.874,981 0.902,982 0.902,983 5.019,984 1.719,985 5.866,986 5.291,987 4.533,988 5.043,989 2.397,990 6.611,991 4.454,992 6.195,993 1.523,994 7.377,995 4.374,996 4.007,997 4.783,998 1.738,999 7.345,1000 3.896,1001 7.477,1002 1.234,1003 8.981,1004 3.817,1005 6.061,1006 7.192,1007 3.033,1008 10.411,1009 5.904,1010 8.789,1011 1.178,1012 10.64,1013 2.719,1014 6.312,1015 7.762,1016 3.069,1017 11.988,1018 6.123,1019 10.132,1020 1,1021 12.336,1022 2.601,1023 7.836,1024 9.672,1025 4.068,1026 14.563,1027 7.609,1028 11.498,1029 0.865,1030 14.06,1031 2.275,1032 8.48,1033 10.682,1034 4.417,1035 16.538,1036 8.224,1037 12.884,1038 0.25,1039 15.805,1040 1.999,1041 9.762,1042 12.365,1043 5.257,1044 18.939,1045 9.474,1046 3.054,1047 -0.076,1048 17.567,1049 0.62,1050 10.618,1051 13.612,1052 5.751,1053 21.102,1054 10.303,1055 2.785,1056 10.248,1057 19.345,1058 -0.195,1059 11.787,1060 15.187,1061 6.503,1062 23.445,1063 11.444,1064 2.61,1065 8.087,1066 21.135,1067 4.458,1068 12.756,1069 16.556,1070 7.069,1071 25.695,1072 12.388,1073 2.357,1074 7.339,1075 22.936,1076 3.687,1077 13.876,1078 18.082,1079 7.771,1080 28.021,1081 13.481,1082 2.306,1083 6.739,1084 24.748,1085 3.17,1086 14.905,1087 19.512,1088 8.375,1089 30.311,1090 14.485,1091 2.059,1092 6.638,1093 26.568,1094 2.849,1095 16.005,1096 21.016,1097 9.051,1098 32.633,1099 15.56,1100 1.888,1101 5.647,1102 28.396,1103 2.64,1104 17.066,1105 22.478,1106 9.674,1107 34.942,1108 16.596,1109 14797,1110 22844,1111 23.057,1112 39.83,1113 49.797,1114 50.708,1115 50.579,1116 49.643,1117 49.657,1118 63.338,1119 9.61,1120 136.785,1121 47.761,1122 5.516,1123 5.533,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 3.306,1129 17.078,1130 4.968,1131 13.708,1132 1.465,1133 1.491,1134 1.488,1135 1.46,1136 1.461,1137 1.863,1138 0.283,1139 4.023,1140 1.405,1141 4.077,1142 4.103,1143 4.038,1144 4,1145 7.43,1146 4.005,1147 3.962,1148 4.006,1149 3.894,1150 3.873,1151 5.016,1152 3.873,1153 3.806,1154 3.871,1155 3.698,1156 3.617,1157 4.75,1158 3.627,1159 3.552,1160 3.601,1161 3.453,1162 3.428,1163 4.58,1164 3.424,1165 3.524,1166 3.571,1167 3.426,1168 3.306,1169 4.353,1170 3.327,1171 3.411,1172 3.478,1173 3.266,1174 3.215,1175 4.226,1176 3.218,1177 3.139,1178 3.208,1179 3.008,1180 2.974,1181 3.994,1182 2.969,1183 3.111,1184 3.206,1185 2.893,1186 2.941,1187 3.889,1188 2.911,1189 0.133,1190 0.104,1191 0.192,1192 0.118,1193 0.09,1194 4.516,1195 0.131,1196 3.533,1197 0.056,1198 6.517,1199 0.301,1200 4.026,1201 0.087,1202 3.054,1203 4.458,1204 1.907,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.93,1214 1.897,1215 2.057,1216 2.062,1217 1.221,1218 2.064,1219 1.764,1220 1.694,1221 1.958,1222 1.962,1223 1.142,1224 1.965,1225 1.535,1226 1.49,1227 1.745,1228 1.725,1229 0.959,1230 1.726,1231 1.459,1232 1.404,1233 1.712,1234 1.687,1235 0.825,1236 1.697,1237 1.389,1238 1.323,1239 1.666,1240 1.607,1241 0.804,1242 1.631,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.731,1248 1.429,1249 1.129,1250 1.063,1251 1.425,1252 1.349,1253 0.628,1254 1.374,1255 4.234,1257 5.533,1259 7.02,1261 8.597,1263 10.22,1265 3.542,1271 6.618,1272 2.856,1273 6.099,1276 4.917,1280 37.364,1281 88.472,1282 202.668,1283 270.517,1284 316.265,1285 326.265,1286 326.265,1287 45.771,1288 7.888,1289 57.7,1290 57.7,1291 24,1292 12.437,1293 4.248,1294 3.392,1295 49.946,1296 165,1297 140,1298 0.145,1299 229.828,1300 396.74,1301 552.542,1302 35522,1304 21.631,1305 0.698,1306 0.59,1307 21.631,1308 18.304,1309 15.064,1310 0.443,1311 0.32,1312 10.728,1313 14.508,1314 10.404,1315 8.62,1316 15.064,1317 10.871,1318 13.615,1319 0.296,1320 0.177,1321 13.615,1322 8.123,1323 10.575,1324 0.186,1325 0.099,1326 10.575,1327 5.615,1328 9.082,1329 0.123,1330 0.054,1331 9.082,1332 4.019,1333 7.363,1334 0.08,1335 0.031,1336 7.363,1337 2.834,1338 0.239,1339 93.909,1340 0.208,1341 30.08,1342 0.368,1343 160,1344 422.739,1345 174.028,1346 409.008,1347 562.24,1348 386,1349 183,1350 411.387,1351 196.92,1352 417.889,1353 604.93,1354 393,1355 9.3} {0 CHEMBL494991,1 1.415,2 14.586,3 3.946,4 15.568,5 116.179,6 6.751,7 0.531,8 4.142,9 4.265,10 3.64,11 3.66,12 5.128,13 3.626,14 4.71,15 4.907,16 3.953,17 4.033,18 5.618,19 3.982,20 4.932,21 5.148,22 3.996,23 4.2,24 5.798,25 4.104,26 5.025,27 5.274,28 3.847,29 4.198,30 5.791,31 4.045,32 5.025,33 5.31,34 3.718,35 4.109,36 5.719,37 3.942,38 4.868,39 5.133,40 3.632,41 3.996,42 5.605,43 3.837,44 4.778,45 5.046,46 3.583,47 3.917,48 5.492,49 3.766,50 4.729,51 4.988,52 3.565,53 3.874,54 5.464,55 3.74,56 0.041,57 0.824,58 13.371,59 5.509,60 8.854,61 7.601,62 0.263,63 1.346,64 25.305,65 8.446,66 23.586,67 12.145,68 0.385,69 1.624,70 31.774,71 11.162,72 31.326,73 15.957,74 0.3,75 1.665,76 34.873,77 13.303,78 31.116,79 19.042,80 0.33,81 1.601,82 35.616,83 12.764,84 31.105,85 18.644,86 0.376,87 1.405,88 30.271,89 10.87,90 29.347,91 15.839,92 0.249,93 1.312,94 27.468,95 9.888,96 22.255,97 14.499,98 0.267,99 1.232,100 26.328,101 9.2,102 21.485,103 13.35,104 6,105 43,106 0.231,107 0.503,108 0.704,109 0.804,110 0.835,111 0.835,112 3.407,113 0.964,114 -3.61,115 -3.58,116 -3.42,119 41.4,120 1,124 1,125 7,140 9,141 2,142 2,144 2,169 8,172 9,178 9,181 2,182 8,189 6,192 1,193 6,199 5,203 3,211 2,214 2,215 5,222 1,225 1,226 4,237 3,248 1,249 5,259 1405,260 20.041,261 20.041,262 20.041,263 20.041,264 20.041,265 18.005,266 24.598,267 11.961,268 20.643,269 15.758,270 15.758,271 15.758,272 15.758,273 15.758,274 12.707,275 31.173,276 5.639,277 16.625,278 4.443,279 2.778,280 1.552,281 0.936,282 0.75,283 0.75,284 4.11,288 1,289 1,290 924,291 3,295 373.494,299 143.883,302 2.347,303 15.068,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 61.5,315 423,316 4.516,317 3.186,318 6.517,319 4.026,320 3.054,321 4.458,322 0.916,323 10.248,324 2.968,325 4.052,326 3.071,327 5.639,328 3.706,329 2.751,330 3.64,331 0.86,332 7.846,333 2.64,334 3.72,335 2.865,336 5.404,337 3.509,338 2.57,339 3.17,340 0.86,341 7.124,342 2.398,343 3.671,344 2.699,345 5.322,346 3.292,347 2.348,348 2.83,349 0.8,350 6.724,351 2.218,352 3.459,353 2.591,354 5.216,355 3.207,356 2.275,357 2.632,358 0.172,359 6.594,360 2.113,361 3.295,362 2.264,363 4.882,364 2.898,365 1.956,366 2.569,368 5.635,369 1.835,370 3.079,371 2.139,372 4.813,373 2.831,374 1.878,375 2.22,377 5.29,378 1.78,379 2.989,380 1.602,381 4.196,382 2.512,383 1.524,384 2.103,386 3.817,387 1.504,388 2.5,389 1.466,390 3.527,391 2.158,392 1.229,393 1.5,395 2.714,396 1.131,397 2.491,398 1.159,399 3.414,400 2,401 1,402 1.488,404 2.275,405 1,406 2.14,407 1.146,408 3.414,409 1.967,410 1,411 1.084,413 2.275,414 0.965,415 2,416 1,417 3.315,418 1.837,419 0.869,420 1,422 2.005,423 0.838,424 1.741,425 0.965,426 3.027,427 1.488,428 0.603,429 0.664,431 1.085,432 0.527,433 1.354,434 0.539,435 2.731,436 1.149,437 0.228,438 0.248,440 0.485,441 0.209,442 1.152,443 0.27,444 2.55,445 0.867,446 -0.07,447 -0.08,449 -0.159,450 -0.065,451 13.867,452 0.478,453 0.55,454 0.019,455 36,456 1.241,457 17,458 0.586,459 19,460 0.655,461 24.424,462 0.842,463 31.733,464 0.547,465 24.975,466 0.861,467 7.349,468 0.253,469 6.858,470 0.236,471 0.072,473 0.274,479 0.89,480 1.467,481 0.864,482 1.226,483 0.84,484 1.069,485 1.529,486 1.047,487 1.016,488 0.879,489 1.065,490 0.875,491 1.269,492 0.997,493 1.138,494 1.016,495 1.089,496 1.046,497 0.846,498 1.132,499 1.049,500 1.168,501 0.856,502 1.143,503 0.958,504 0.917,505 0.937,506 0.923,507 0.972,508 0.929,509 0.926,510 1.013,511 1.039,512 1.019,513 1.033,514 1.043,515 0.85,516 1.043,517 0.988,518 1.032,519 0.893,520 1.025,521 1.206,522 0.981,523 1.032,524 0.949,525 1.106,526 0.967,527 5.5,528 0.14,529 2.667,530 1.25,531 1.351,532 0.542,533 0.504,534 0.311,535 0.139,536 0.161,537 13294,538 29536,539 2.132,540 50,542 26,546 3,550 1.71,551 2.047,552 3.781,553 -0.819,555 1,559 82.087,560 1.415,561 3.08,562 4.306,563 4.922,564 5.108,565 5.108,566 3.233,567 4.513,568 4.83,569 3.974,570 1613.3,571 8.359,572 23689.2,574 1,576 1,577 339.763,578 1.178,579 4.812,580 0.172,581 0.007,582 0.062,583 0.029,584 0.039,585 0.017,586 0.018,587 0.012,588 0.005,589 0.007,590 0.368,591 0.5,592 1,593 0.601,594 152.425,595 0.035,596 -0.268,597 0.087,598 -0.124,599 0.047,600 -0.031,601 -0.184,602 0.086,603 0.002,604 0.101,605 0.009,606 0.081,607 -0.087,608 0.088,609 -0.139,610 -0.032,611 -0.025,612 -0.08,613 0.03,614 -0.164,615 -0.084,616 -0.163,617 0.047,618 -0.142,619 -0.038,620 0.008,621 0.045,622 0.042,623 -0.067,624 0.051,625 0.049,626 -0.051,627 -0.056,628 -0.045,629 -0.09,630 -0.064,631 0.003,632 -0.064,633 -0.014,634 -0.061,635 -0.061,636 -0.044,637 -0.116,638 -0.004,639 -0.037,640 0.018,641 -0.139,642 0.002,643 0.8,644 2.599,645 0.759,646 32.602,647 0.99,648 1.126,649 2.383,650 5.678,651 0.652,652 3.497,653 3.784,654 4.025,655 4.248,656 4.489,657 4.466,658 4.522,659 4.605,660 4.644,661 4.682,662 8.298,663 0.609,664 391.56,665 3.497,666 5.017,667 5.849,668 6.703,669 7.548,670 8.405,671 9.254,672 10.113,673 10.965,674 11.824,675 5.2,678 2,685 1,687 2,688 9,689 1,693 4,695 17,712 2,714 58,716 17,717 2,718 32,720 61,721 24,722 15,723 5,724 7,730 4,731 5,736 1,745 15,746 9,761 1,764 29,765 5,767 5,773 3,777 0.75,778 2,786 1,793 4,797 1,815 2,819 3,823 2,827 29,833 7,835 2,838 2,847 3.4,852 2,854 14.167,855 10.933,856 6.472,857 3.506,858 3.191,859 1.413,860 0.981,861 6.526,862 10.921,863 3.726,864 4.29,865 4.846,866 5.401,867 5.962,868 6.12,869 6.37,870 6.66,871 6.906,872 6.633,873 0.9,874 43,875 10.722,877 4.401,878 7.448,879 21.202,881 17.263,883 1.948,884 56.5,886 1,887 1,888 341.362,889 143.367,890 23.034,892 22,895 143.367,896 363.362,897 23.034,898 19.708,899 17.227,900 85.286,901 16.786,902 49.395,904 341.362,906 341.362,907 166.402,908 22,911 341.362,912 22,915 37.201,916 112.415,917 16.786,919 341.362,920 45.034,921 143.367,924 341.362,925 38.373,926 111.243,928 38.785,929 341.362,930 45.034,931 143.367,933 0.571,934 0.331,935 0.175,936 0.099,937 20,938 8,939 0.115,940 7,941 1,942 1.091,943 4.307,944 240.163,945 0.091,946 22,947 130.881,951 19.994,952 9.466,953 5.198,954 2.081,955 45.034,956 18.604,957 4.584,961 4.202,964 529.763,965 40.5,975 57.447,976 65.311,977 0.242,978 0.526,979 0.735,980 0.84,981 0.872,982 0.872,983 4.943,984 1.524,985 5.802,986 5.29,987 4.466,988 4.977,989 1.86,990 6.547,991 4.368,992 6.112,993 1.229,994 7.315,995 3.817,996 3.892,997 4.677,998 0.57,999 7.298,1000 3.741,1001 7.393,1002 1,1003 8.922,1004 2.714,1005 5.999,1006 7.144,1007 1.527,1008 10.352,1009 5.814,1010 8.707,1011 1,1012 10.585,1013 2.275,1014 6.236,1015 7.71,1016 0.581,1017 11.949,1018 6.003,1019 10.054,1020 0.869,1021 12.285,1022 2.275,1023 7.777,1024 9.641,1025 1.279,1026 14.511,1027 7.518,1028 11.425,1029 0.603,1030 14.012,1031 2.005,1032 8.417,1033 10.651,1034 0.515,1035 16.499,1036 8.119,1037 12.816,1038 0.228,1039 15.76,1040 1.085,1041 9.705,1042 12.343,1043 1.07,1044 18.897,1045 9.384,1046 3.054,1047 -0.07,1048 17.526,1049 0.485,1050 10.559,1051 13.59,1052 0.441,1053 21.069,1054 10.207,1055 2.751,1056 10.248,1057 19.305,1058 -0.159,1059 11.731,1060 15.17,1061 0.89,1062 23.413,1063 11.357,1064 2.57,1065 7.846,1066 21.098,1067 4.458,1068 12.7,1069 16.54,1070 0.373,1071 25.67,1072 12.299,1073 2.348,1074 7.124,1075 22.901,1076 3.64,1077 13.821,1078 18.068,1079 0.735,1080 27.998,1081 13.398,1082 2.275,1083 6.724,1084 24.714,1085 3.17,1086 14.851,1087 19.499,1088 0.314,1089 30.293,1090 14.403,1091 1.956,1092 6.594,1093 26.536,1094 2.83,1095 15.954,1096 21.005,1097 0.603,1098 32.618,1099 15.482,1100 1.878,1101 5.635,1102 28.366,1103 2.632,1104 17.016,1105 22.468,1106 0.264,1107 34.929,1108 16.52,1109 12457,1110 18677,1111 21.959,1112 37.824,1113 46.576,1114 47.17,1115 47.584,1116 46.562,1117 46.572,1118 59.209,1119 7.218,1120 128.236,1121 44.252,1122 5.516,1123 5.186,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 1.776,1129 17.078,1130 4.968,1131 10.776,1132 1.456,1133 1.474,1134 1.487,1135 1.455,1136 1.455,1137 1.85,1138 0.226,1139 4.007,1140 1.383,1141 4.076,1142 4.102,1143 4.037,1144 3.999,1145 5.016,1146 4.005,1147 3.951,1148 3.993,1149 3.88,1150 3.862,1151 4.865,1152 3.861,1153 3.8,1154 3.857,1155 3.692,1156 3.615,1157 4.581,1158 3.625,1159 3.545,1160 3.592,1161 3.446,1162 3.428,1163 4.421,1164 3.423,1165 3.429,1166 3.496,1167 3.29,1168 3.231,1169 4.311,1170 3.235,1171 3.272,1172 3.332,1173 3.112,1174 3.037,1175 4.213,1176 3.044,1177 3.111,1178 3.206,1179 2.949,1180 2.946,1181 3.885,1182 2.932,1183 3.095,1184 3.168,1185 2.866,1186 2.941,1187 3.744,1188 2.91,1189 0.141,1190 0.1,1191 0.204,1192 0.126,1193 0.095,1194 4.516,1195 0.139,1196 3.186,1197 0.029,1198 6.517,1199 0.32,1200 4.026,1201 0.093,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.918,1214 1.889,1215 2.051,1216 2.056,1217 1.221,1218 2.058,1219 1.759,1220 1.692,1221 1.951,1222 1.947,1223 1.131,1224 1.952,1225 1.535,1226 1.49,1227 1.744,1228 1.706,1229 0.956,1230 1.717,1231 1.402,1232 1.335,1233 1.672,1234 1.621,1235 0.825,1236 1.642,1237 1.225,1238 1.162,1239 1.577,1240 1.517,1241 0.804,1242 1.538,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.649,1248 1.429,1249 1.111,1250 1.039,1251 1.424,1252 1.311,1253 0.544,1254 1.35,1255 4.174,1257 5.468,1259 6.961,1261 8.543,1263 10.171,1265 3.72,1271 6.979,1273 11.335,1276 4.996,1280 35.342,1281 82.087,1282 178.656,1283 249.75,1284 285.498,1285 296.253,1286 296.253,1287 36.903,1288 7.73,1289 37.83,1290 37.83,1291 24,1292 12.376,1293 4.17,1294 3.248,1295 45.233,1296 147,1297 148,1298 0.147,1299 216.369,1300 371.08,1301 519.701,1302 28792,1304 20.054,1305 0.692,1306 0.597,1307 20.054,1308 17.304,1309 14.208,1310 0.444,1311 0.321,1312 10.126,1313 13.643,1314 9.82,1315 8.136,1316 14.208,1317 10.279,1318 12.381,1319 0.288,1320 0.177,1321 12.381,1322 7.59,1323 10.423,1324 0.19,1325 0.1,1326 10.423,1327 5.526,1328 8.461,1329 0.123,1330 0.055,1331 8.461,1332 3.799,1333 7.065,1334 0.08,1335 0.031,1336 7.065,1337 2.745,1338 0.243,1339 88.904,1340 0.213,1341 28.497,1342 0.373,1343 150,1344 388.406,1345 162.638,1346 371.712,1347 517.1,1348 354,1349 173,1350 380.042,1351 186.584,1352 387.1,1353 562.11,1354 363,1355 7.9} {0 CHEMBL494992,1 1.415,2 14,3 3.946,4 15.568,5 116.179,6 6.751,7 0.531,8 4.142,9 4.265,10 3.64,11 3.66,12 5.128,13 3.626,14 4.71,15 4.907,16 3.953,17 4.033,18 5.619,19 3.982,20 4.932,21 5.148,22 3.996,23 4.2,24 5.794,25 4.104,26 5.025,27 5.274,28 3.871,29 4.199,30 5.792,31 4.051,32 5.032,33 5.309,34 3.752,35 4.12,36 5.751,37 3.961,38 4.889,39 5.151,40 3.671,41 4.024,42 5.626,43 3.868,44 4.85,45 5.123,46 3.615,47 3.949,48 5.567,49 3.803,50 4.733,51 4.979,52 3.55,53 3.917,54 5.481,55 3.765,56 0.041,57 0.824,58 13.371,59 5.509,60 8.854,61 7.601,62 0.263,63 1.346,64 25.305,65 8.446,66 23.697,67 12.145,68 0.385,69 1.624,70 31.774,71 11.162,72 30.847,73 15.957,74 0.289,75 1.665,76 34.861,77 13.297,78 30.121,79 19.031,80 0.417,81 1.607,82 36.066,83 12.754,84 34.028,85 18.47,86 0.302,87 1.451,88 30.714,89 11.095,90 27.355,91 16.211,92 0.347,93 1.372,94 30.022,95 10.254,96 27.027,97 14.969,98 0.276,99 1.255,100 26.104,101 9.73,102 21.993,103 13.981,104 6,105 43,106 0.231,107 0.503,108 0.711,109 0.823,110 0.857,111 0.857,112 3.407,113 0.964,114 -3.61,115 -3.58,116 -3.42,119 41.4,120 1,124 1,125 7,140 9,141 2,142 2,144 2,169 8,172 9,178 9,181 2,182 8,189 6,192 1,193 5,199 5,202 1,203 4,211 2,214 1,215 5,222 1,225 1,226 3,236 1,237 4,249 5,259 1379,260 20.041,261 20.041,262 20.041,263 20.041,264 20.041,265 18.005,266 24.598,267 11.998,268 20.643,269 15.775,270 15.775,271 15.775,272 15.775,273 15.775,274 12.713,275 32.48,276 5.661,277 16.639,278 4.443,279 2.778,280 1.504,281 0.819,282 0.612,283 0.612,284 4.11,288 1,289 1,290 886,291 3,295 369.42,299 142.2,302 2.207,303 15.2,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 61.5,315 406,316 4.516,317 3.186,318 6.517,319 4.026,320 3.054,321 4.458,322 0.916,323 10.248,324 2.968,325 4.083,326 3.086,327 5.692,328 3.729,329 2.772,330 3.674,331 0.86,332 8.02,333 2.665,334 3.719,335 2.884,336 5.438,337 3.516,338 2.582,339 3.17,340 0.86,341 7.237,342 2.4,343 3.654,344 2.671,345 5.322,346 3.29,347 2.345,348 2.736,349 0.8,350 6.722,351 2.218,352 3.388,353 2.583,354 5.175,355 3.161,356 2.237,357 2.629,358 0.172,359 6.49,360 2.061,361 3.293,362 2.221,363 4.815,364 2.864,365 1.911,366 2.527,368 5.366,369 1.814,370 3.061,371 2.135,372 4.789,373 2.807,374 1.859,375 2.219,377 5.286,378 1.751,379 2.989,380 1.602,381 4.196,382 2.512,383 1.524,384 2.102,386 3.817,387 1.504,388 2.669,389 1.466,390 3.529,391 2.211,392 1.243,393 1.743,395 2.723,396 1.204,397 2.49,398 1.331,399 3.494,400 2.146,401 1.197,402 1.487,404 2.624,405 1.123,406 2.137,407 1.146,408 3.414,409 1.967,410 1,411 1.08,413 2.275,414 0.965,415 2,416 0.966,417 3.312,418 1.834,419 0.865,420 1,422 1.999,423 0.835,424 1.584,425 0.936,426 2.956,427 1.296,428 0.432,429 0.483,431 0.658,432 0.37,433 1.384,434 0.509,435 2.703,436 1.19,437 0.249,438 0.272,440 0.587,441 0.233,442 1.156,443 0.204,444 2.642,445 0.874,446 -0.077,447 -0.089,449 -0.198,450 -0.073,451 13.867,452 0.478,453 0.55,454 0.019,455 36,456 1.241,457 17,458 0.586,459 19,460 0.655,461 24.56,462 0.847,463 31.733,464 0.547,465 25.056,466 0.864,467 7.349,468 0.253,469 6.858,470 0.236,471 0.072,473 0.274,479 0.89,480 1.467,481 0.864,482 1.226,483 0.84,484 1.069,485 1.529,486 1.047,487 1.016,488 0.879,489 1.062,490 0.875,491 1.269,492 0.997,493 1.138,494 1.016,495 1.112,496 1.046,497 0.824,498 1.132,499 1.018,500 1.165,501 0.808,502 1.126,503 1.11,504 0.905,505 0.984,506 0.912,507 1.097,508 0.936,509 0.892,510 1.099,511 1.042,512 1.09,513 0.976,514 1.085,515 1.197,516 0.886,517 1.017,518 0.888,519 1.116,520 0.924,521 0.979,522 1.124,523 1.119,524 1.125,525 1.075,526 1.143,527 5.5,528 0.128,529 2.444,530 1.5,531 1.271,532 0.597,533 0.504,534 0.264,535 0.184,536 0.151,537 13102,538 28992,539 2.132,540 50,542 26,546 3,550 1.711,551 2.047,552 3.735,553 -0.819,555 1,559 82.087,560 1.415,561 3.08,562 4.354,563 5.039,564 5.246,565 5.246,566 3.195,567 4.651,568 4.832,569 3.931,570 1596.01,571 8.365,572 23354.6,574 1,576 1,577 339.763,578 1.178,579 4.812,580 0.172,581 0.007,582 0.057,583 0.035,584 0.035,585 0.019,586 0.017,587 0.009,588 0.007,589 0.007,590 0.365,591 0.5,592 1,593 0.601,594 152.028,595 0.035,596 -0.268,597 0.087,598 -0.124,599 0.047,600 -0.031,601 -0.184,602 0.086,603 0.002,604 0.101,605 0.012,606 0.081,607 -0.087,608 0.088,609 -0.139,610 -0.032,611 -0.047,612 -0.08,613 0.052,614 -0.164,615 -0.052,616 -0.159,617 0.087,618 -0.125,619 -0.032,620 0.023,621 0.012,622 0.051,623 -0.094,624 0.036,625 0.015,626 -0.127,627 -0.066,628 -0.113,629 -0.085,630 -0.103,631 -0.088,632 0.077,633 -0.014,634 0.06,635 -0.129,636 0.035,637 -0.031,638 -0.141,639 -0.146,640 -0.127,641 -0.161,642 -0.152,643 0.803,644 2.601,645 0.759,646 31.674,647 0.99,648 1.126,649 2.383,650 5.678,651 0.652,652 3.497,653 3.784,654 4.025,655 4.263,656 4.489,657 4.466,658 4.522,659 4.595,660 4.663,661 4.682,662 8.147,663 0.609,664 391.56,665 3.497,666 5.017,667 5.849,668 6.706,669 7.55,670 8.41,671 9.259,672 10.12,673 10.971,674 11.833,675 5.2,678 2,685 1,687 2,688 9,689 1,693 4,695 17,712 2,714 58,716 17,717 2,718 32,720 61,721 24,722 15,723 5,724 7,730 4,731 5,736 1,745 15,746 9,761 1,764 29,765 5,767 5,773 3,777 0.75,778 2,786 1,793 4,797 1,815 2,819 3,823 2,827 29,833 7,835 2,838 2,847 3.4,852 2,854 14.167,855 10.933,856 6.472,857 3.506,858 3.208,859 1.415,860 0.981,861 6.526,862 10.938,863 3.726,864 4.29,865 4.846,866 5.411,867 5.956,868 6.116,869 6.368,870 6.656,871 6.913,872 6.63,873 1,874 43,875 10.723,877 4.403,878 7.448,879 21.202,881 17.263,883 1.948,884 56.5,886 1,887 1,888 341.362,889 143.367,890 23.034,892 22,895 143.367,896 363.362,897 23.034,898 19.708,899 17.227,900 85.286,901 16.786,902 49.395,904 341.362,906 341.362,907 166.402,908 22,911 341.362,912 22,915 37.201,916 112.415,917 16.786,919 341.362,920 45.034,921 143.367,924 341.362,925 38.373,926 111.243,928 38.785,929 341.362,930 45.034,931 143.367,933 0.57,934 0.33,935 0.179,936 0.1,937 20,938 8,939 0.115,940 7,941 1,942 1.091,943 4.285,944 241.257,945 0.091,946 22,947 132.881,951 19.994,952 9.466,953 5.198,954 2.079,955 45.034,956 18.579,957 4.584,961 4.186,964 529.763,965 40.5,975 57.447,976 65.311,977 0.242,978 0.526,979 0.743,980 0.86,981 0.895,982 0.895,983 4.943,984 1.524,985 5.802,986 5.286,987 4.466,988 4.977,989 1.86,990 6.55,991 4.368,992 6.112,993 1.243,994 7.315,995 3.817,996 3.892,997 4.677,998 0.57,999 7.298,1000 3.741,1001 7.393,1002 1.197,1003 8.923,1004 2.723,1005 5.999,1006 7.144,1007 1.527,1008 10.364,1009 5.814,1010 8.707,1011 1,1012 10.587,1013 2.624,1014 6.236,1015 7.71,1016 0.581,1017 11.959,1018 6.003,1019 10.054,1020 0.865,1021 12.288,1022 2.275,1023 7.779,1024 9.643,1025 1.279,1026 14.53,1027 7.52,1028 11.426,1029 0.432,1030 14.017,1031 1.999,1032 8.423,1033 10.656,1034 0.515,1035 16.516,1036 8.126,1037 12.818,1038 0.249,1039 15.766,1040 0.658,1041 9.713,1042 12.348,1043 1.07,1044 18.916,1045 9.392,1046 3.054,1047 -0.077,1048 17.533,1049 0.587,1050 10.571,1051 13.598,1052 0.441,1053 21.086,1054 10.22,1055 2.772,1056 10.248,1057 19.314,1058 -0.198,1059 11.744,1060 15.177,1061 0.89,1062 23.43,1063 11.37,1064 2.582,1065 8.02,1066 21.108,1067 4.458,1068 12.716,1069 16.548,1070 0.373,1071 25.684,1072 12.315,1073 2.345,1074 7.237,1075 22.912,1076 3.674,1077 13.838,1078 18.075,1079 0.735,1080 28.011,1081 13.415,1082 2.237,1083 6.722,1084 24.726,1085 3.17,1086 14.87,1087 19.507,1088 0.314,1089 30.303,1090 14.421,1091 1.911,1092 6.49,1093 26.549,1094 2.736,1095 15.973,1096 21.012,1097 0.603,1098 32.627,1099 15.501,1100 1.859,1101 5.366,1102 28.378,1103 2.629,1104 17.036,1105 22.474,1106 0.264,1107 34.937,1108 16.54,1109 12277,1110 18373,1111 21.959,1112 37.824,1113 46.493,1114 47.144,1115 47.456,1116 46.501,1117 46.541,1118 59.159,1119 7.218,1120 128.103,1121 44.218,1122 5.516,1123 5.186,1124 6.11,1125 5.101,1126 5.054,1127 7.458,1128 1.776,1129 17.078,1130 4.968,1131 10.682,1132 1.453,1133 1.473,1134 1.483,1135 1.453,1136 1.454,1137 1.849,1138 0.226,1139 4.003,1140 1.382,1141 4.076,1142 4.102,1143 4.037,1144 3.999,1145 5.016,1146 4.005,1147 3.952,1148 3.994,1149 3.881,1150 3.862,1151 4.864,1152 3.861,1153 3.799,1154 3.857,1155 3.692,1156 3.615,1157 4.581,1158 3.625,1159 3.545,1160 3.592,1161 3.446,1162 3.428,1163 4.415,1164 3.423,1165 3.426,1166 3.494,1167 3.284,1168 3.229,1169 4.321,1170 3.232,1171 3.263,1172 3.325,1173 3.096,1174 3.017,1175 4.219,1176 3.024,1177 3.116,1178 3.206,1179 2.972,1180 2.948,1181 3.894,1182 2.938,1183 3.111,1184 3.188,1185 2.877,1186 2.941,1187 3.792,1188 2.91,1189 0.141,1190 0.1,1191 0.204,1192 0.126,1193 0.095,1194 4.516,1195 0.139,1196 3.186,1197 0.029,1198 6.517,1199 0.32,1200 4.026,1201 0.093,1202 3.054,1203 4.458,1204 0.916,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.918,1214 1.889,1215 2.05,1216 2.056,1217 1.221,1218 2.058,1219 1.759,1220 1.692,1221 1.951,1222 1.947,1223 1.131,1224 1.952,1225 1.535,1226 1.49,1227 1.744,1228 1.706,1229 0.956,1230 1.717,1231 1.401,1232 1.333,1233 1.672,1234 1.618,1235 0.825,1236 1.641,1237 1.213,1238 1.147,1239 1.575,1240 1.515,1241 0.804,1242 1.535,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.645,1248 1.429,1249 1.116,1250 1.046,1251 1.425,1252 1.333,1253 0.559,1254 1.36,1255 4.174,1257 5.468,1259 6.961,1261 8.545,1263 10.174,1265 3.733,1271 6.923,1273 11.431,1276 4.987,1280 35.342,1281 82.087,1282 178.656,1283 252.505,1284 292.253,1285 304.253,1286 304.253,1287 37.031,1288 7.73,1289 37.83,1290 37.83,1291 24,1292 12.384,1293 4.17,1294 3.248,1295 45.192,1296 145,1297 129,1298 0.15,1299 216.369,1300 371.08,1301 519.701,1302 28792,1304 20.054,1305 0.692,1306 0.597,1307 20.054,1308 17.304,1309 14.208,1310 0.444,1311 0.321,1312 10.126,1313 13.643,1314 9.82,1315 8.138,1316 14.208,1317 10.279,1318 12.393,1319 0.288,1320 0.177,1321 12.393,1322 7.593,1323 10.348,1324 0.188,1325 0.1,1326 10.348,1327 5.501,1328 8.573,1329 0.122,1330 0.055,1331 8.573,1332 3.839,1333 7.095,1334 0.081,1335 0.031,1336 7.095,1337 2.756,1338 0.246,1339 88.904,1340 0.213,1341 28.404,1342 0.381,1343 150,1344 388.406,1345 162.638,1346 371.777,1347 517.12,1348 354,1349 173,1350 380.042,1351 186.584,1352 387.235,1353 562.37,1354 363,1355 8.6} {0 CHEMBL495046,1 1.526,2 15.03,3 4.816,4 23.19,5 133.509,6 7.086,7 0.472,8 4.263,9 4.377,10 3.922,11 3.829,12 5.215,13 3.766,14 4.854,15 5.038,16 4.192,17 4.22,18 5.942,19 4.142,20 5.126,21 5.337,22 4.22,23 4.4,24 6.08,25 4.287,26 5.22,27 5.456,28 4.127,29 4.417,30 6.119,31 4.259,32 5.233,33 5.503,34 4.028,35 4.35,36 6.05,37 4.181,38 5.094,39 5.35,40 3.919,41 4.247,42 5.91,43 4.079,44 5.053,45 5.321,46 3.86,47 4.174,48 5.838,49 4.005,50 4.969,51 5.219,52 3.882,53 4.174,54 5.758,55 4.002,56 0.09,57 0.962,58 18.113,59 6.809,60 15.113,61 8.862,62 0.426,63 1.582,64 31.962,65 11.24,66 59.577,67 14.98,68 0.468,69 1.959,70 41.929,71 14.65,72 56.686,73 19.571,74 0.395,75 2.029,76 45.381,77 17.148,78 64.237,79 23.085,80 0.436,81 1.978,82 46.603,83 16.814,84 61.132,85 23.083,86 0.311,87 1.789,88 40.982,89 14.851,90 47.868,91 20.336,92 0.443,93 1.707,94 39.281,95 13.44,96 54.99,97 18.625,98 0.305,99 1.627,100 37.774,101 13.608,102 35.348,103 18.144,104 28,105 51,106 0.242,107 0.535,108 0.77,109 0.851,110 0.856,111 0.856,112 3.531,113 1.116,114 -3.92,115 -3.87,116 -3.67,119 39.4,120 1,121 3,122 1,124 2,125 4,140 9,141 2,142 2,144 2,169 12,171 3,172 10,178 15,181 1,182 7,189 11,192 1,193 10,199 11,203 10,211 5,215 12,222 3,225 1,226 6,233 4,236 1,237 6,244 6,249 5,256 8,259 1912,260 21.85,261 21.85,262 21.85,263 21.85,264 21.85,265 19.485,266 25.789,267 12.779,268 22.294,269 17.776,270 17.776,271 17.776,272 17.776,273 17.776,274 14.157,275 31.325,276 6.092,277 18.515,278 4.518,279 2.664,280 1.186,281 0.671,282 0.64,283 0.64,284 4.225,289 1,290 1066,291 4.123,295 436.613,299 170.244,302 2.393,303 29.141,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70.5,315 496,316 4.77,317 4.379,318 7.183,319 4.289,320 3.351,321 4.535,322 0.86,323 11.854,324 3.129,325 4.516,326 3.185,327 6.517,328 4.026,329 3.054,330 4.458,331 0.8,332 10.248,333 2.968,334 4.063,335 2.967,336 5.743,337 3.73,338 2.746,339 3.659,340 0.4,341 8.066,342 2.705,343 3.719,344 2.848,345 5.509,346 3.506,347 2.55,348 3.17,350 7.34,351 2.439,352 3.655,353 2.612,354 5.326,355 3.292,356 2.343,357 2.749,359 6.738,360 2.22,361 3.406,362 2.545,363 5.257,364 3.175,365 2.222,366 2.63,368 6.635,369 2.105,370 3.294,371 2.166,372 4.889,373 2.88,374 1.915,375 2.54,377 5.57,378 1.842,379 3.074,380 2.054,381 4.813,382 2.83,383 1.865,384 2.22,386 5.29,387 1.792,388 2.989,389 1.6,390 4.196,391 2.512,392 1.524,393 2.111,395 3.817,396 1.504,397 2.683,398 1.467,399 3.835,400 2.235,401 1.256,402 1.758,404 2.786,405 1.229,406 2.49,407 1.387,408 3.526,409 2.15,410 1.207,411 1.487,413 2.691,414 1.127,415 2.137,416 1.077,417 3.465,418 1.984,419 1,420 1.08,422 2.275,423 0.983,424 2.019,425 1.044,426 3.414,427 1.836,428 0.865,429 1,431 2,432 0.836,433 2,434 0.963,435 3.312,436 1.687,437 0.737,438 0.894,440 1.897,441 0.696,442 1.384,443 0.463,444 2.943,445 1.208,446 0.25,447 0.273,449 0.616,450 0.237,451 16.033,452 0.486,453 0.966,454 0.029,455 40.75,456 1.235,457 20,458 0.606,459 20.75,460 0.629,461 31.885,462 0.966,463 36.767,464 0.557,465 30.308,466 0.918,467 7.551,468 0.229,469 8.241,470 0.25,471 0.135,472 0.052,473 0.268,479 0.591,480 1.462,481 0.874,482 1.307,483 0.664,484 1.08,485 0.905,486 1.103,487 1.013,488 1.012,489 0.531,490 0.937,491 1.263,492 0.995,493 1.118,494 1,495 1.053,496 1.032,497 0.929,498 1.088,499 0.989,500 1.091,501 0.9,502 1.127,503 0.972,504 0.897,505 0.848,506 0.876,507 0.796,508 0.937,509 0.855,510 1.122,511 0.996,512 1.089,513 0.697,514 1.089,515 1.071,516 0.908,517 0.948,518 0.868,519 0.967,520 0.963,521 0.806,522 1.037,523 1.118,524 1.116,525 0.747,526 1.074,527 8,528 0.214,529 3.778,530 2.125,531 1.631,532 0.896,533 0.746,534 0.451,535 0.295,536 0.225,537 18154,538 45314,539 2.054,540 50,541 3,542 23,546 3,547 4,550 1.744,551 1.913,552 3.822,553 -0.781,559 100.744,560 1.526,561 3.38,562 4.858,563 5.374,564 5.404,565 5.404,566 3.242,567 4.597,568 5.02,569 4.063,570 2145.51,571 8.74,572 34892,577 398.93,578 1.554,579 4.964,580 0.222,581 0.009,582 0.074,583 0.042,584 0.037,585 0.022,586 0.021,587 0.014,588 0.009,589 0.008,590 0.458,591 0.33,592 0.88,593 0.871,594 180.56,595 0.131,596 -0.231,597 0.214,598 -0.109,599 -0.118,600 -0.007,601 0.151,602 0.036,603 0.017,604 0.025,605 0.29,606 0.052,607 -0.146,608 0.073,609 -0.141,610 -0.015,611 -0.064,612 -0.058,613 -0.018,614 -0.123,615 -0.08,616 -0.119,617 -0.007,618 -0.128,619 -0.048,620 0.019,621 0.041,622 0.049,623 -0.021,624 0.044,625 -0.03,626 -0.162,627 -0.066,628 -0.122,629 -0.008,630 -0.095,631 -0.102,632 0.055,633 -0.031,634 0.048,635 -0.109,636 -0.001,637 -0.025,638 -0.034,639 -0.079,640 -0.077,641 -0.028,642 -0.066,643 4.162,644 4.831,645 0.667,646 38.85,647 0.994,648 1.125,649 2.685,650 7.211,651 0.658,652 3.611,653 3.951,654 4.159,655 4.369,656 4.585,657 4.595,658 4.663,659 4.762,660 4.779,661 4.836,662 8.966,663 0.611,664 467.69,665 3.611,666 5.165,667 5.999,668 6.874,669 7.723,670 8.598,671 9.451,672 10.326,673 11.181,674 12.056,675 4.5,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 66,716 19,717 2,718 36,720 69,721 26,722 15,723 5,724 7,730 4,731 5,736 1,740 2,741 1,743 3,745 15,746 11,747 1,750 2,753 1,755 2,764 33,765 6,767 7,768 1,773 3,777 0.75,778 3,786 1,793 4,797 1,815 1,819 3,821 1,823 3,827 33,830 1,833 7,835 1,837 1,838 2,847 4.5,850 2,852 1,854 17.25,855 12.6,856 7.083,857 4.003,858 3.427,859 1.427,860 0.977,861 7.454,862 11.452,863 3.861,864 4.477,865 4.943,866 5.495,867 6.034,868 6.235,869 6.507,870 6.814,871 6.973,872 6.745,873 0.9,874 51,875 12.412,877 5.377,878 7.659,879 24.041,881 20.175,883 2.159,884 71.25,888 388.446,889 152.678,890 21.428,892 55.313,894 5.807,895 146.871,896 443.759,897 21.428,898 24.412,899 18.513,900 91.094,901 61.098,902 34.302,904 388.446,906 388.446,907 168.299,908 55.313,909 5.807,911 341.362,912 102.397,915 35.363,916 116.15,917 22.593,919 388.446,920 76.741,921 152.678,923 5.807,924 388.446,925 37.173,926 114.341,928 72.098,929 388.446,930 76.741,931 152.678,933 0.59,934 0.33,935 0.167,936 0.092,937 24,938 11,939 0.116,940 8,941 1,942 1.091,943 4.501,944 289.948,945 0.091,946 22,947 158.465,950 1,951 23.846,952 10.316,953 6.186,954 2.033,955 76.741,956 18.037,957 4.581,961 3.832,964 617.866,965 46.5,968 -3.245,970 23.662,975 65.618,976 74.271,977 0.253,978 0.559,979 0.804,980 0.889,981 0.894,982 0.894,983 5.113,984 1.865,985 6.014,986 5.57,987 4.635,988 5.165,989 1.324,990 6.83,991 4.556,992 6.337,993 1.524,994 7.585,995 5.29,996 4.369,997 5.223,998 0.325,999 7.917,1000 4.217,1001 7.675,1002 1.256,1003 9.266,1004 3.817,1005 6.282,1006 7.45,1007 0.958,1008 10.921,1009 6.118,1010 9.052,1011 1.207,1012 11.014,1013 2.786,1014 6.804,1015 8.315,1016 0.268,1017 12.825,1018 6.556,1019 10.464,1020 1,1021 12.808,1022 2.691,1023 8.239,1024 10.094,1025 0.736,1026 15.432,1027 7.975,1028 11.903,1029 0.865,1030 14.635,1031 2.275,1032 9.115,1033 11.308,1034 0.188,1035 17.661,1036 8.768,1037 13.362,1038 0.737,1039 16.487,1040 2,1041 10.375,1042 12.922,1043 0.57,1044 20.155,1045 9.996,1046 3.351,1047 0.25,1048 18.359,1049 1.897,1050 11.415,1051 14.292,1052 0.125,1053 22.516,1054 10.958,1055 3.054,1056 11.854,1057 20.247,1058 0.616,1059 12.614,1060 15.839,1061 0.439,1062 24.979,1063 12.111,1064 2.746,1065 10.248,1066 22.149,1067 4.535,1068 13.731,1069 17.281,1070 0.082,1071 27.394,1072 13.153,1073 2.55,1074 8.066,1075 24.062,1076 4.458,1077 14.912,1078 18.801,1079 0.334,1080 29.85,1081 14.279,1082 2.343,1083 7.34,1084 25.984,1085 3.659,1086 16.065,1087 20.274,1088 0.054,1089 32.29,1090 15.359,1091 2.222,1092 6.738,1093 27.913,1094 3.17,1095 17.245,1096 21.784,1097 0.252,1098 34.747,1099 16.476,1100 1.915,1101 6.635,1102 29.848,1103 2.749,1104 18.417,1105 23.273,1106 0.035,1107 37.199,1108 17.576,1109 17245,1110 27414,1111 23.75,1112 43.449,1113 53.649,1114 55.151,1115 54.857,1116 53.846,1117 53.77,1118 69.126,1119 4.12,1120 155.646,1121 51.62,1122 5.77,1123 6.379,1124 6.763,1125 5.36,1126 5.351,1127 7.535,1128 1.72,1129 19.34,1130 5.129,1131 18.007,1132 1.49,1133 1.532,1134 1.524,1135 1.496,1136 1.494,1137 1.92,1138 0.114,1139 4.324,1140 1.434,1141 4.088,1142 4.11,1143 4.722,1144 4.018,1145 7.716,1146 4.009,1147 4.037,1148 4.046,1149 4.037,1150 3.979,1151 6.999,1152 3.932,1153 3.896,1154 3.925,1155 3.87,1156 3.821,1157 5.016,1158 3.744,1159 3.768,1160 3.781,1161 3.696,1162 3.664,1163 4.733,1164 3.638,1165 3.548,1166 3.594,1167 3.448,1168 3.43,1169 4.58,1170 3.426,1171 3.439,1172 3.502,1173 3.295,1174 3.277,1175 4.328,1176 3.272,1177 3.191,1178 3.275,1179 3.046,1180 3.006,1181 4.212,1182 2.998,1183 3.118,1184 3.206,1185 2.952,1186 2.945,1187 4.019,1188 2.928,1189 0.133,1190 0.122,1191 0.2,1192 0.119,1193 0.093,1194 4.77,1195 0.126,1196 4.379,1197 0.024,1198 7.183,1199 0.329,1200 4.289,1201 0.087,1202 3.351,1203 4.535,1204 0.86,1205 11.854,1206 3.129,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.122,1213 1.97,1214 1.946,1215 2.102,1216 2.078,1217 1.223,1218 2.098,1219 1.826,1220 1.791,1221 1.974,1222 1.987,1223 1.179,1224 2.014,1225 1.672,1226 1.681,1227 1.753,1228 1.807,1229 1.04,1230 1.861,1231 1.538,1232 1.493,1233 1.705,1234 1.704,1235 0.949,1236 1.721,1237 1.435,1238 1.372,1239 1.656,1240 1.619,1241 0.825,1242 1.65,1243 1.182,1244 1.104,1245 1.532,1246 1.44,1247 0.805,1248 1.489,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.696,1254 1.429,1255 4.29,1257 5.624,1259 7.144,1261 8.747,1263 10.392,1265 4.837,1271 6.973,1273 6.112,1275 0.619,1276 3.81,1280 40.298,1281 100.744,1282 223.077,1283 320.626,1284 354.665,1285 356.665,1286 356.665,1287 65.131,1288 8.025,1289 62.74,1290 71.12,1291 24,1292 12.6,1293 4.322,1294 3.524,1295 54.924,1296 184,1297 151,1298 0.145,1299 250.681,1300 432.98,1301 603.422,1302 42072,1304 23.424,1305 0.71,1306 0.622,1307 23.674,1308 20.514,1309 15.792,1310 0.439,1311 0.372,1312 11.564,1313 14.499,1314 11.001,1315 9.14,1316 16.686,1317 13.386,1318 15.034,1319 0.295,1320 0.216,1321 16.445,1322 11.027,1323 11.776,1324 0.187,1325 0.122,1326 12.576,1327 7.705,1328 9.293,1329 0.119,1330 0.064,1331 9.722,1332 4.954,1333 7.592,1334 0.078,1335 0.037,1336 7.896,1337 3.577,1338 0.239,1339 107.223,1340 0.205,1341 31.576,1342 0.367,1343 174,1344 465.002,1345 221.607,1346 469.339,1347 639.66,1348 436,1349 201,1350 445.741,1351 255.371,1352 486.417,1353 699.9,1354 454,1355 8.801} {0 CHEMBL495075,1 1.71,2 14.613,3 4.306,4 18.539,5 128.586,6 9.251,7 0.353,8 4.137,9 4.25,10 3.89,11 3.727,12 5.132,13 3.68,14 4.725,15 4.895,16 4.323,17 4.158,18 5.704,19 4.08,20 5.047,21 5.262,22 4.526,23 4.305,24 6.01,25 4.176,26 5.027,27 5.278,28 4.296,29 4.205,30 5.925,31 4.056,32 4.863,33 5.072,34 4.338,35 4.171,36 5.889,37 4.036,38 4.872,39 5.077,40 4.361,41 4.224,42 5.817,43 4.052,44 4.891,45 5.134,46 4.227,47 4.14,48 5.725,49 3.938,50 4.68,51 4.911,52 3.967,53 3.883,54 5.592,55 3.724,56 0.045,57 0.79,58 8.813,59 5.25,60 6.479,61 6.779,62 0.251,63 1.331,64 21.491,65 9.445,66 22.83,67 12.171,68 0.578,69 1.639,70 50.096,71 14.443,72 56.05,73 17.873,74 0.593,75 1.54,76 50.378,77 14.554,78 56.584,79 18.305,80 0.55,81 1.367,82 49.919,83 12.735,84 60.146,85 15.636,86 0.428,87 1.397,88 48.432,89 13.749,90 50.428,91 16.975,92 0.398,93 1.366,94 68.877,95 14.501,96 41.831,97 17.663,98 0.45,99 1.051,100 49.863,101 10.685,102 38.335,103 13.059,104 17,105 47,106 0.282,107 0.601,108 0.774,109 0.875,110 0.881,111 0.881,112 3.471,113 1.074,114 -5.15,115 -5.04,116 -4.72,117 1,119 40.4,121 3,125 5,127 2,140 6,141 2,142 4,156 1,169 6,172 6,174 1,176 4,178 8,182 7,184 1,186 2,189 9,193 4,195 1,197 1,199 7,202 1,203 3,208 2,211 10,214 1,215 3,220 4,222 4,226 2,231 4,233 3,237 6,242 2,244 5,249 2,252 1,256 6,259 1704,260 20.825,261 20.825,262 20.825,263 20.825,264 20.825,265 19.128,266 31.062,267 12.304,268 21.516,269 16.789,270 16.789,271 16.789,272 16.789,273 16.789,274 14.25,275 45.013,276 5.919,277 18.117,278 4.123,279 2.19,280 1.141,281 0.526,282 0.491,283 0.491,284 4.166,285 2,289 1,290 980,291 3.24,294 97.794,295 352.282,302 2.4,303 29.982,306 0.75,307 0.83,308 0.83,309 0.9,310 1,311 0.83,312 1,313 0.88,314 65.917,315 453,316 4.297,317 3.587,318 6.15,319 3.909,320 2.947,321 3.94,322 1.058,323 9.021,324 2.852,325 4.257,326 3.311,327 6.108,328 3.839,329 2.91,330 3.896,331 0.916,332 8.943,333 2.697,334 3.89,335 3.274,336 5.797,337 3.664,338 2.74,339 3.208,340 0.86,341 8.083,342 2.523,343 3.74,344 3.034,345 5.658,346 3.448,347 2.515,348 2.943,349 0.4,350 7.541,351 2.352,352 3.539,353 2.752,354 5.355,355 3.362,356 2.43,357 2.629,358 0.172,359 6.998,360 2.134,361 3.363,362 2.465,363 5.197,364 3.125,365 2.169,366 2.433,368 6.433,369 2.022,370 2.934,371 2.165,372 4.762,373 2.698,374 1.762,375 1.998,377 5.244,378 1.632,379 2.831,380 2.029,381 4.153,382 2.405,383 1.523,384 1.952,386 3.729,387 1.31,388 2.82,389 1.996,390 4.096,391 2.309,392 1.414,393 1.942,395 3.556,396 1.217,397 2.625,398 1.894,399 3.975,400 2.265,401 1.338,402 1.582,404 3.222,405 1.171,406 2.441,407 1.667,408 3.588,409 2.212,410 1.22,411 1.438,413 3,414 1.157,415 2,416 1.077,417 3.284,418 1.984,419 1,420 1,422 2.136,423 0.983,424 1.759,425 0.897,426 3.247,427 1.708,428 0.732,429 0.743,431 1.751,432 0.712,433 1.558,434 0.735,435 3.05,436 1.285,437 0.384,438 0.434,440 0.959,441 0.323,442 1.362,443 0.722,444 2.825,445 0.867,446 0.1,447 0.118,449 0.221,450 0.061,451 16.129,452 0.52,453 0.784,454 0.025,455 34,456 1.097,457 14,458 0.452,459 20,460 0.645,461 33.89,462 1.093,463 33.671,464 0.591,465 22.329,466 0.72,467 6.188,468 0.2,469 8.786,470 0.283,471 0.192,473 0.304,479 0.722,480 1.326,481 0.498,482 0.85,483 0.555,484 0.882,485 0.902,486 1.157,487 0.567,488 0.818,489 0.567,490 0.911,491 1.06,492 1.044,493 0.755,494 0.931,495 0.794,496 0.985,497 1.104,498 0.847,499 0.754,500 0.762,501 1.125,502 0.822,503 0.878,504 0.988,505 1.275,506 1.075,507 1.344,508 1.005,509 0.637,510 1.183,511 1.392,512 1.237,513 0.77,514 1.199,515 0.815,516 1.126,517 1.872,518 1.342,519 0.794,520 1.168,521 1.202,522 1.019,523 1.369,524 1.18,525 0.903,526 1.069,527 7,528 0.147,529 3.111,530 2.007,531 1.698,532 0.858,533 0.591,534 0.431,535 0.302,536 0.172,537 15237,538 45560,539 2.084,540 45.6,542 18,545 2,548 6,550 1.73,551 1.958,552 3.815,553 0.225,559 97.466,560 1.71,561 3.643,562 4.692,563 5.307,564 5.342,565 5.342,566 3.284,567 4.696,568 4.925,569 3.996,570 1858.36,571 8.564,572 28269.8,577 332.475,578 1.383,579 4.888,580 0.206,581 0.006,582 0.066,583 0.045,584 0.044,585 0.021,586 0.016,587 0.014,588 0.011,589 0.007,590 0.435,591 0.33,592 0.88,593 0.541,594 165.564,595 -0.045,596 -0.111,597 0.003,598 -0.015,599 -0.014,600 0.015,601 -0.052,602 -0.004,603 0.013,604 0.024,605 0.066,606 -0.012,607 -0.017,608 -0.033,609 0.042,610 -0.012,611 0.064,612 -0.038,613 -0.068,614 0.104,615 0.046,616 0.166,617 -0.039,618 0.147,619 0.066,620 0.013,621 -0.056,622 -0.042,623 -0.014,624 -0.018,625 0.098,626 -0.191,627 -0.078,628 -0.165,629 0.022,630 -0.182,631 -0.042,632 -0.17,633 -0.168,634 -0.179,635 -0.071,636 -0.119,637 -0.095,638 -0.071,639 -0.135,640 -0.135,641 -0.049,642 -0.071,643 1.785,644 5.519,645 0.742,646 37.9,647 1.006,648 1.124,649 3.915,650 15.331,651 0.7,652 3.555,653 3.871,654 4.094,655 4.304,656 4.489,657 4.489,658 4.575,659 4.663,660 4.771,661 4.844,662 8.404,663 0.65,664 527.32,665 3.555,666 5.094,667 5.927,668 6.788,669 7.634,670 8.495,671 9.346,672 10.207,673 11.061,674 11.922,675 5.3,677 1,678 1,682 1,688 6,693 6,695 12,702 1,712 1,713 3,714 57,716 13,717 2,718 34,719 1,720 60,721 23,722 12,723 6,724 6,725 1,730 4,731 4,732 2,740 5,743 5,745 13,746 10,750 1,755 1,759 1,764 26,765 5,766 2,767 8,768 3,773 3,777 1,778 2,789 1,792 1,793 3,814 1,815 1,819 4,822 1,824 2,827 31,833 8,834 2,835 1,837 2,838 1,846 3,847 3.5,850 1,852 1,854 15.833,855 9.879,856 6.75,857 3.56,858 2.075,859 1.268,860 0.982,861 8.041,862 9.816,863 3.738,864 4.263,865 4.723,866 5.169,867 5.633,868 5.698,869 5.798,870 5.894,871 6.098,872 6.267,873 0.9,874 45,875 11.513,877 4.912,878 7.655,879 22.403,881 18.846,883 2.155,884 66.806,888 282.506,889 101.365,890 85.1,891 78.297,892 36.145,895 147.319,896 396.949,897 39.146,899 36.143,900 74.868,901 29.85,902 35.795,904 282.506,905 124.251,906 282.506,907 140.511,908 36.145,909 78.297,910 45.954,911 211.88,912 106.771,915 57.278,916 83.233,917 78.297,918 45.954,919 282.506,920 75.291,921 225.617,924 282.506,925 44.508,926 59.982,927 81.976,928 114.442,929 282.506,930 75.291,931 225.617,933 0.584,934 0.334,935 0.17,936 0.092,937 22,938 10,939 0.1,940 6,942 1,943 4.393,944 266.236,946 23,947 149.58,951 23.181,952 10.754,953 6.291,955 75.291,956 11.274,961 4.488,963 36.022,964 583.414,965 41,970 12.519,974 -0.118,975 57.323,976 64.041,977 0.293,978 0.625,979 0.804,980 0.91,981 0.916,982 0.916,983 4.99,984 1.523,985 5.905,986 5.244,987 4.554,988 4.949,989 1.878,990 6.666,991 4.408,992 6.158,993 1.414,994 7.437,995 3.729,996 4.111,997 4.718,998 0.325,999 7.413,1000 3.817,1001 7.441,1002 1.338,1003 9.059,1004 3.556,1005 6.111,1006 7.008,1007 1.725,1008 10.464,1009 5.851,1010 8.752,1011 1.22,1012 10.733,1013 3.222,1014 6.447,1015 7.568,1016 0.393,1017 11.976,1018 6.049,1019 10.093,1020 1,1021 12.438,1022 3,1023 7.916,1024 9.375,1025 1.673,1026 14.519,1027 7.542,1028 11.454,1029 0.732,1030 14.165,1031 2.136,1032 8.613,1033 10.304,1034 0.384,1035 16.364,1036 8.124,1037 12.83,1038 0.384,1039 15.905,1040 1.751,1041 9.855,1042 11.905,1043 1.667,1044 18.705,1045 9.369,1046 2.947,1047 0.1,1048 17.656,1049 0.959,1050 10.73,1051 13.024,1052 0.351,1053 20.713,1054 10.153,1055 2.91,1056 9.021,1057 19.416,1058 0.221,1059 11.87,1060 14.522,1061 1.688,1062 22.965,1063 11.279,1064 2.74,1065 8.943,1066 21.181,1067 3.94,1068 12.835,1069 15.745,1070 0.312,1071 25.057,1072 12.171,1073 2.515,1074 8.083,1075 22.952,1076 3.896,1077 13.928,1078 17.187,1079 1.729,1080 27.27,1081 13.239,1082 2.43,1083 7.541,1084 24.728,1085 3.208,1086 14.94,1087 18.468,1088 0.273,1089 29.405,1090 14.191,1091 2.169,1092 6.998,1093 26.506,1094 2.943,1095 16.013,1096 19.878,1097 1.786,1098 31.601,1099 15.233,1100 1.762,1101 6.433,1102 28.288,1103 2.629,1104 17.049,1105 21.194,1106 0.236,1107 33.76,1108 16.218,1109 14380,1110 25102,1111 22.77,1112 39.892,1113 50.654,1114 52.583,1115 51.545,1116 50.73,1117 50.37,1118 60.508,1119 6.814,1120 141.675,1121 46.285,1122 5.297,1123 5.587,1124 5.952,1125 4.97,1126 4.947,1127 6.94,1128 2.117,1129 15.403,1130 4.852,1131 15.084,1132 1.49,1133 1.547,1134 1.516,1135 1.492,1136 1.481,1137 1.78,1138 0.2,1139 4.167,1140 1.361,1141 4,1142 4.037,1143 6.88,1144 3.919,1145 7.429,1146 3.911,1147 3.919,1148 3.935,1149 4.121,1150 3.869,1151 5.035,1152 3.86,1153 3.826,1154 3.884,1155 3.854,1156 3.665,1157 4.843,1158 3.666,1159 3.761,1160 3.811,1161 3.72,1162 3.636,1163 4.49,1164 3.628,1165 3.335,1166 3.373,1167 3.634,1168 3.134,1169 4.451,1170 3.153,1171 3.165,1172 3.212,1173 3.455,1174 3.02,1175 4.361,1176 3.004,1177 3.111,1178 3.206,1179 3.394,1180 2.941,1181 4.203,1182 2.91,1183 2.992,1184 3.081,1185 3.075,1186 2.846,1187 4.125,1188 2.786,1189 0.126,1190 0.106,1191 0.181,1192 0.115,1193 0.087,1194 4.297,1195 0.116,1196 3.587,1197 0.031,1198 6.15,1199 0.265,1200 3.909,1201 0.084,1202 2.947,1203 3.94,1204 1.058,1205 9.021,1206 2.852,1207 1.912,1208 1.893,1209 2.031,1210 2.03,1211 1.36,1212 2.036,1213 1.893,1214 1.88,1215 1.967,1216 1.977,1217 1.213,1218 1.979,1219 1.779,1220 1.72,1221 1.951,1222 1.947,1223 1.2,1224 1.961,1225 1.602,1226 1.541,1227 1.826,1228 1.781,1229 1.063,1230 1.8,1231 1.474,1232 1.401,1233 1.688,1234 1.703,1235 0.953,1236 1.708,1237 1.153,1238 1.093,1239 1.513,1240 1.376,1241 0.825,1242 1.429,1243 1.111,1244 1.064,1245 1.333,1246 1.355,1247 0.553,1248 1.346,1249 1.03,1250 0.975,1251 1.264,1252 1.31,1253 0.492,1254 1.295,1255 4.234,1257 5.549,1258 2.398,1259 7.041,1260 4.595,1261 8.611,1262 6.555,1263 10.218,1264 3.668,1266 11.968,1271 7.622,1272 6.466,1273 6.164,1275 0.398,1276 2.356,1280 37.022,1281 97.466,1282 207.642,1283 267.455,1284 302.475,1285 304.475,1286 304.475,1287 59.629,1288 7.741,1289 53.6,1290 53.6,1291 23,1292 12.473,1293 3.807,1294 3,1295 49.849,1296 158,1297 144,1298 0.151,1299 238.284,1300 417.02,1301 573.173,1302 27989,1303 5.3,1304 21.794,1305 0.703,1306 0.654,1307 23.794,1308 20.271,1309 14.974,1310 0.44,1311 0.358,1312 10.609,1313 13.441,1314 10.303,1315 8.42,1316 16.129,1317 12.167,1318 13.678,1319 0.291,1320 0.209,1321 15.161,1322 9.824,1323 11.281,1324 0.191,1325 0.121,1326 12.903,1327 7.13,1328 8.888,1329 0.122,1330 0.067,1331 9.91,1332 4.907,1333 7.003,1334 0.08,1335 0.037,1336 7.923,1337 3.29,1338 0.248,1339 107.483,1340 0.21,1341 29.96,1342 0.389,1343 162,1344 450.843,1345 270.854,1346 529.305,1347 685.6,1348 492,1349 187,1350 420.67,1351 262.526,1352 456.754,1353 670.01,1354 430,1355 6.854} {0 CHEMBL495160,1 1.45,2 15.419,3 3.082,4 9.501,5 122.798,6 6.862,7 0.5,8 4.189,9 4.319,10 3.694,11 3.711,12 5.202,13 3.678,14 4.751,15 4.949,16 4.024,17 4.087,18 5.721,19 4.034,20 5.002,21 5.221,22 4.044,23 4.249,24 5.924,25 4.156,26 5.074,27 5.328,28 3.937,29 4.25,30 5.885,31 4.106,32 5.065,33 5.335,34 3.831,35 4.172,36 5.868,37 4.024,38 4.942,39 5.205,40 3.705,41 4.073,42 5.733,43 3.914,44 4.86,45 5.142,46 3.641,47 3.979,48 5.57,49 3.824,50 4.749,51 4.997,52 3.642,53 3.934,54 5.559,55 3.8,56 0.04,57 0.892,58 13.734,59 5.581,60 7.928,61 7.809,62 0.268,63 1.443,64 25.88,65 8.722,66 27.089,67 12.787,68 0.459,69 1.744,70 34.112,71 11.38,72 43.219,73 16.442,74 0.296,75 1.753,76 36.612,77 13.817,78 36.779,79 19.947,80 0.363,81 1.667,82 37.164,83 13.199,84 45.033,85 19.073,86 0.371,87 1.52,88 32.567,89 11.65,90 38.427,91 16.963,92 0.278,93 1.412,94 30.063,95 10.572,96 26.751,97 15.762,98 0.286,99 1.311,100 26.506,101 9.225,102 28.156,103 13.651,104 12,105 46,106 0.234,107 0.536,108 0.71,109 0.82,110 0.842,111 0.842,112 3.471,113 0.959,114 -3.38,115 -3.36,116 -3.22,119 41,120 2,125 7,140 9,141 2,142 2,144 2,156 1,169 8,172 8,174 1,176 3,178 9,181 2,182 6,186 2,189 6,192 1,193 7,197 1,199 7,203 5,211 4,214 1,215 6,218 1,222 2,225 1,226 4,236 1,237 4,249 5,252 1,259 1729,260 21.032,261 21.032,262 21.032,263 21.032,264 21.032,265 18.79,266 27.124,267 12.611,268 21.478,269 16.831,270 16.831,271 16.831,272 16.831,273 16.831,274 13.508,275 36.28,276 6.054,277 17.543,278 4.48,279 2.608,280 1.529,281 0.844,282 0.713,283 0.713,284 4.171,288 1,289 1,290 1036,291 3.464,295 411.073,299 159.55,302 2.572,303 19.853,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 478,316 4.516,317 3.533,318 6.517,319 4.026,320 3.054,321 4.458,322 1.907,323 10.248,324 2.968,325 4.073,326 3.186,327 5.648,328 3.724,329 2.761,330 3.653,331 0.916,332 7.873,333 2.673,334 3.729,335 3.063,336 5.454,337 3.551,338 2.606,339 3.17,340 0.86,341 7.295,342 2.448,343 3.711,344 2.789,345 5.326,346 3.332,347 2.377,348 2.93,349 0.8,350 6.819,351 2.273,352 3.557,353 2.607,354 5.27,355 3.279,356 2.325,357 2.64,358 0.172,359 6.698,360 2.214,361 3.311,362 2.507,363 4.918,364 3.022,365 2.062,366 2.61,367 0.149,368 5.761,369 1.972,370 3.282,371 2.189,372 4.813,373 2.851,374 1.889,375 2.444,377 5.291,378 1.811,379 3.057,380 2.128,381 4.39,382 2.776,383 1.781,384 2.219,386 4.476,387 1.75,388 2.988,389 1.601,390 4.196,391 2.512,392 1.524,393 2.091,395 3.817,396 1.504,397 2.5,398 1.465,399 3.526,400 2.157,401 1.228,402 1.5,404 2.714,405 1.13,406 2.491,407 1.146,408 3.414,409 2,410 1,411 1.488,413 2.275,414 1,415 2.139,416 1,417 3.414,418 1.967,419 1,420 1.082,422 2.275,423 0.965,424 2,425 0.97,426 3.314,427 1.836,428 0.867,429 1,431 2.004,432 0.837,433 1.528,434 0.778,435 2.99,436 1.306,437 0.349,438 0.389,440 0.857,441 0.332,442 1.287,443 0.507,444 2.695,445 1.018,446 0.073,447 0.084,449 0.178,450 0.069,451 14.767,452 0.476,453 0.694,454 0.022,455 38.75,456 1.25,457 18.5,458 0.597,459 20.25,460 0.653,461 26.585,462 0.858,463 33.833,464 0.555,465 27.932,466 0.901,467 7.832,468 0.253,469 7.232,470 0.233,471 0.09,473 0.291,479 0.817,480 1.456,481 0.856,482 1.189,483 0.622,484 1.048,485 1.147,486 1.14,487 0.958,488 0.955,489 0.599,490 0.923,491 1.397,492 0.963,493 1.191,494 0.978,495 1.184,496 1.038,497 0.751,498 1.081,499 0.974,500 1.132,501 0.506,502 1.091,503 1.102,504 0.938,505 0.979,506 0.963,507 0.892,508 0.964,509 0.937,510 1.014,511 1.072,512 1.067,513 0.862,514 1.088,515 0.755,516 0.979,517 0.919,518 0.961,519 0.49,520 0.959,521 0.946,522 1.118,523 1.079,524 1.072,525 0.895,526 1.087,527 6.5,528 0.157,529 2.667,530 1.5,531 1.511,532 0.597,533 0.624,534 0.311,535 0.188,536 0.201,537 16060,538 38089,539 2.104,540 49.2,542 23,545 1,546 6,550 1.727,551 2,552 3.857,553 -0.393,555 1,559 88.472,560 1.45,561 3.322,562 4.402,563 5.086,564 5.217,565 5.217,566 3.397,567 4.543,568 4.925,569 4.086,570 1900.15,571 8.548,572 29782.7,574 1,577 361.775,578 1.277,579 4.899,580 0.191,581 0.007,582 0.058,583 0.033,584 0.039,585 0.017,586 0.021,587 0.011,588 0.006,589 0.007,590 0.391,591 0.5,592 1,593 0.805,594 167.248,595 0.004,596 -0.236,597 0.069,598 -0.091,599 -0.019,600 -0.018,601 -0.044,602 0.002,603 0.028,604 0.037,605 0.101,606 0.043,607 -0.163,608 0.121,609 -0.19,610 -0.006,611 -0.134,612 -0.084,613 0.061,614 -0.121,615 -0.013,616 -0.119,617 0.098,618 -0.082,619 -0.069,620 -0.017,621 0.012,622 0.02,623 -0.027,624 0.024,625 -0.001,626 -0.057,627 -0.093,628 -0.083,629 -0.084,630 -0.101,631 0.019,632 -0.027,633 0.053,634 0.011,635 0.007,636 0.031,637 -0.032,638 -0.106,639 -0.104,640 -0.09,641 -0.078,642 -0.106,643 1.708,644 4.136,645 0.71,646 37.96,647 0.993,648 1.128,649 2.149,650 4.618,651 0.653,652 3.555,653 3.85,654 4.06,655 4.304,656 4.533,657 4.511,658 4.605,659 4.682,660 4.718,661 4.754,662 8.933,663 0.613,664 418.59,665 3.555,666 5.081,667 5.905,668 6.763,669 7.601,670 8.461,671 9.306,672 10.166,673 11.015,674 11.875,675 6.6,678 2,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 61,716 18,717 2,718 34,720 64,721 25,722 15,723 5,724 7,730 4,731 5,736 2,745 16,746 9,750 1,755 1,759 1,761 1,764 30,765 6,766 1,767 6,773 4,777 0.75,778 2,786 1,793 4,797 1,805 1,815 2,819 3,823 2,827 31,833 7,834 1,835 1,838 2,847 3.3,850 1,852 1,854 15.5,855 11.433,856 6.806,857 3.714,858 3.308,859 1.419,860 0.983,861 7.054,862 11.195,863 3.795,864 4.357,865 4.869,866 5.441,867 5.996,868 6.163,869 6.453,870 6.741,871 6.946,872 6.685,873 1,874 45,875 11.464,877 4.738,878 7.57,879 22.452,881 18.291,883 2.07,884 64.167,887 1,888 341.362,889 143.527,890 41.045,892 36.145,895 143.527,896 377.507,897 41.045,898 17.65,899 35.237,900 85.286,901 46.635,902 35.908,904 341.362,906 341.362,907 184.572,908 36.145,911 341.362,912 36.145,915 64.037,916 103.75,917 16.786,919 341.362,920 77.19,921 143.527,924 341.362,925 40.591,926 109.185,927 18.011,928 52.93,929 341.362,930 77.19,931 143.527,933 0.575,934 0.317,935 0.173,936 0.098,937 21,938 9,939 0.109,940 7,941 1,942 1.091,943 4.476,944 260.839,945 0.091,946 22,947 143.58,951 21.603,952 10.123,953 5.962,954 2.054,955 77.19,956 18.291,957 4.58,961 4.043,963 18.011,964 562.079,965 43.5,970 11.136,974 -0.042,975 60.549,976 68.81,977 0.245,978 0.56,979 0.742,980 0.858,981 0.88,982 0.88,983 5.019,984 1.781,985 5.866,986 5.291,987 4.533,988 5.043,989 2.397,990 6.608,991 4.454,992 6.195,993 1.524,994 7.377,995 4.476,996 4.007,997 4.783,998 1.738,999 7.345,1000 3.896,1001 7.477,1002 1.228,1003 8.98,1004 3.817,1005 6.061,1006 7.192,1007 3.033,1008 10.399,1009 5.904,1010 8.789,1011 1,1012 10.639,1013 2.714,1014 6.312,1015 7.762,1016 3.069,1017 11.978,1018 6.123,1019 10.132,1020 1,1021 12.334,1022 2.275,1023 7.833,1024 9.671,1025 4.068,1026 14.545,1027 7.606,1028 11.497,1029 0.867,1030 14.056,1031 2.275,1032 8.474,1033 10.678,1034 4.417,1035 16.521,1036 8.217,1037 12.882,1038 0.349,1039 15.799,1040 2.004,1041 9.754,1042 12.36,1043 5.257,1044 18.919,1045 9.465,1046 3.054,1047 0.073,1048 17.56,1049 0.857,1050 10.606,1051 13.604,1052 5.751,1053 21.084,1054 10.29,1055 2.761,1056 10.248,1057 19.336,1058 0.178,1059 11.774,1060 15.18,1061 6.503,1062 23.427,1063 11.429,1064 2.606,1065 7.873,1066 21.125,1067 4.458,1068 12.74,1069 16.548,1070 7.069,1071 25.679,1072 12.369,1073 2.377,1074 7.295,1075 22.926,1076 3.653,1077 13.859,1078 18.074,1079 7.771,1080 28.006,1081 13.461,1082 2.325,1083 6.819,1084 24.736,1085 3.17,1086 14.886,1087 19.504,1088 8.375,1089 30.299,1090 14.462,1091 2.062,1092 6.698,1093 26.556,1094 2.93,1095 15.985,1096 21.009,1097 9.051,1098 32.622,1099 15.537,1100 1.889,1101 5.761,1102 28.383,1103 2.64,1104 17.045,1105 22.471,1106 9.674,1107 34.933,1108 16.571,1109 15157,1110 23452,1111 23.057,1112 39.83,1113 49.954,1114 50.73,1115 50.616,1116 49.776,1117 49.792,1118 63.514,1119 9.61,1120 137.161,1121 47.893,1122 5.516,1123 5.533,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 3.306,1129 17.078,1130 4.968,1131 13.841,1132 1.469,1133 1.492,1134 1.489,1135 1.464,1136 1.464,1137 1.868,1138 0.283,1139 4.034,1140 1.409,1141 4.077,1142 4.103,1143 4.038,1144 4,1145 7.43,1146 4.005,1147 3.961,1148 4.005,1149 3.892,1150 3.873,1151 5.016,1152 3.872,1153 3.807,1154 3.872,1155 3.699,1156 3.618,1157 4.75,1158 3.628,1159 3.555,1160 3.605,1161 3.458,1162 3.428,1163 4.58,1164 3.424,1165 3.526,1166 3.572,1167 3.428,1168 3.314,1169 4.354,1170 3.335,1171 3.407,1172 3.474,1173 3.262,1174 3.209,1175 4.226,1176 3.212,1177 3.134,1178 3.206,1179 3.005,1180 2.967,1181 3.997,1182 2.963,1183 3.111,1184 3.204,1185 2.895,1186 2.941,1187 3.875,1188 2.91,1189 0.133,1190 0.104,1191 0.192,1192 0.118,1193 0.09,1194 4.516,1195 0.131,1196 3.533,1197 0.056,1198 6.517,1199 0.301,1200 4.026,1201 0.087,1202 3.054,1203 4.458,1204 1.907,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.341,1212 2.12,1213 1.929,1214 1.897,1215 2.057,1216 2.062,1217 1.221,1218 2.064,1219 1.764,1220 1.695,1221 1.958,1222 1.963,1223 1.142,1224 1.965,1225 1.535,1226 1.49,1227 1.746,1228 1.729,1229 0.959,1230 1.729,1231 1.464,1232 1.41,1233 1.713,1234 1.685,1235 0.825,1236 1.696,1237 1.384,1238 1.318,1239 1.664,1240 1.604,1241 0.804,1242 1.629,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.736,1248 1.429,1249 1.123,1250 1.056,1251 1.425,1252 1.347,1253 0.623,1254 1.37,1255 4.234,1257 5.533,1259 7.02,1261 8.595,1263 10.216,1265 3.534,1271 6.725,1272 2.81,1273 6.098,1276 4.938,1280 37.364,1281 88.472,1282 202.668,1283 268.517,1284 310.265,1285 318.265,1286 318.265,1287 45.544,1288 7.888,1289 57.7,1290 57.7,1291 24,1292 12.427,1293 4.248,1294 3.392,1295 50.024,1296 169,1297 157,1298 0.141,1299 229.828,1300 396.74,1301 552.542,1302 35522,1304 21.631,1305 0.698,1306 0.59,1307 21.631,1308 18.304,1309 15.064,1310 0.443,1311 0.32,1312 10.728,1313 14.508,1314 10.405,1315 8.619,1316 15.064,1317 10.871,1318 13.603,1319 0.296,1320 0.177,1321 13.603,1322 8.12,1323 10.65,1324 0.187,1325 0.099,1326 10.65,1327 5.642,1328 8.955,1329 0.123,1330 0.054,1331 8.955,1332 3.965,1333 7.437,1334 0.081,1335 0.031,1336 7.437,1337 2.856,1338 0.235,1339 93.909,1340 0.208,1341 30.233,1342 0.355,1343 160,1344 422.739,1345 174.028,1346 408.943,1347 562.22,1348 386,1349 183,1350 411.387,1351 196.92,1352 417.754,1353 604.69,1354 393,1355 6.7} {0 CHEMBL495161,1 1.45,2 14.194,3 3.082,4 9.501,5 122.798,6 6.862,7 0.5,8 4.189,9 4.319,10 3.694,11 3.711,12 5.203,13 3.678,14 4.751,15 4.949,16 4.024,17 4.087,18 5.719,19 4.034,20 5.002,21 5.221,22 4.061,23 4.251,24 5.919,25 4.161,26 5.079,27 5.327,28 3.984,29 4.267,30 5.897,31 4.131,32 5.105,33 5.373,34 3.929,35 4.22,36 5.917,37 4.085,38 5.021,39 5.272,40 3.834,41 4.157,42 5.884,43 4.014,44 4.998,45 5.281,46 3.726,47 4.095,48 5.744,49 3.934,50 4.882,51 5.145,52 3.658,53 4.014,54 5.686,55 3.861,56 0.04,57 0.892,58 13.734,59 5.581,60 8.039,61 7.809,62 0.268,63 1.443,64 25.88,65 8.722,66 27.118,67 12.787,68 0.454,69 1.748,70 34.106,71 11.362,72 42.164,73 16.434,74 0.324,75 1.79,76 36.727,77 13.724,78 35.054,79 19.803,80 0.371,81 1.761,82 38.631,83 13.443,84 42.787,85 19.564,86 0.454,87 1.663,88 35.321,89 12.111,90 48.549,91 17.689,92 0.377,93 1.604,94 34.762,95 12.024,96 35.554,97 17.828,98 0.273,99 1.423,100 30.605,101 11.004,102 34.644,103 16.001,104 12,105 46,106 0.234,107 0.536,108 0.708,109 0.829,110 0.863,111 0.863,112 3.471,113 0.96,114 -3.38,115 -3.36,116 -3.22,119 41,120 2,125 7,140 9,141 2,142 2,144 2,156 1,169 8,172 8,174 1,176 3,178 9,181 2,182 5,186 2,189 6,192 1,193 7,195 1,197 1,199 7,203 6,211 4,214 2,215 6,222 2,225 1,226 4,229 1,237 4,248 1,249 5,259 1641,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.815,266 25.292,267 12.696,268 21.527,269 16.835,270 16.835,271 16.835,272 16.835,273 16.835,274 13.492,275 33.624,276 6.074,277 17.542,278 4.48,279 2.608,280 1.541,281 0.791,282 0.582,283 0.582,284 4.172,288 1,289 1,290 952,291 3.464,295 396.523,299 153.32,302 2.239,303 20.458,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 440,316 4.516,317 3.543,318 6.517,319 4.026,320 3.054,321 4.458,322 1.907,323 10.248,324 2.968,325 4.227,326 3.186,327 6.184,328 3.881,329 2.907,330 3.819,331 0.916,332 9.239,333 2.834,334 3.719,335 3.116,336 5.482,337 3.542,338 2.615,339 3.17,340 0.86,341 7.353,342 2.418,343 3.643,344 2.866,345 5.323,346 3.29,347 2.344,348 2.703,349 0.8,350 6.721,351 2.219,352 3.492,353 2.615,354 5.141,355 3.184,356 2.221,357 2.64,358 0.172,359 6.401,360 2.159,361 3.3,362 2.487,363 4.813,364 3.022,365 2.049,366 2.613,367 0.149,368 5.293,369 1.952,370 3.189,371 2.147,372 4.702,373 2.845,374 1.887,375 2.254,377 5.175,378 1.8,379 2.991,380 1.695,381 4.196,382 2.513,383 1.525,384 2.21,386 3.818,387 1.505,388 2.861,389 1.596,390 4.103,391 2.42,392 1.427,393 1.996,395 3.64,396 1.416,397 2.783,398 1.486,399 3.608,400 2.377,401 1.38,402 1.87,404 2.983,405 1.371,406 2.49,407 1.456,408 3.524,409 2.15,410 1.22,411 1.487,413 2.705,414 1.124,415 2.138,416 1.146,417 3.414,418 1.967,419 1,420 1.081,422 2.275,423 0.965,424 2,425 0.966,426 3.311,427 1.834,428 0.866,429 1,431 1.999,432 0.835,433 1.528,434 0.674,435 2.951,436 1.293,437 0.333,438 0.378,440 0.804,441 0.318,442 1.286,443 0.507,444 2.686,445 1.018,446 0.073,447 0.084,449 0.177,450 0.069,451 14.767,452 0.476,453 0.677,454 0.022,455 38.75,456 1.25,457 18.5,458 0.597,459 20.25,460 0.653,461 27.071,462 0.873,463 33.833,464 0.555,465 28.285,466 0.912,467 7.847,468 0.253,469 7.233,470 0.233,471 0.09,473 0.291,479 0.817,480 1.456,481 0.856,482 1.189,483 0.62,484 1.048,485 1.147,486 1.14,487 0.958,488 0.955,489 0.607,490 0.923,491 1.385,492 0.973,493 1.162,494 0.966,495 1.172,496 1.019,497 0.772,498 1.083,499 0.989,500 1.134,501 0.527,502 1.097,503 1.108,504 0.961,505 0.956,506 0.952,507 0.844,508 0.941,509 1.143,510 1.084,511 1.152,512 1.092,513 1.222,514 1.123,515 0.871,516 0.891,517 0.988,518 0.947,519 0.765,520 0.974,521 1.003,522 1.068,523 1.035,524 1.068,525 1.257,526 1.064,527 6,528 0.128,529 2.889,530 1.5,531 1.671,532 0.653,533 0.604,534 0.385,535 0.197,536 0.186,537 15292,538 35913,539 2.104,540 49.2,542 23,545 1,546 6,550 1.729,551 2,552 3.747,553 -0.393,555 1,559 88.472,560 1.45,561 3.322,562 4.39,563 5.14,564 5.349,565 5.349,566 3.183,567 4.672,568 4.929,569 3.969,570 1845.39,571 8.565,572 28403.1,574 1,577 361.775,578 1.277,579 4.899,580 0.176,581 0.006,582 0.063,583 0.033,584 0.041,585 0.017,586 0.018,587 0.012,588 0.007,589 0.008,590 0.38,591 0.5,592 1,593 0.805,594 165.795,595 0.004,596 -0.236,597 0.069,598 -0.091,599 -0.017,600 -0.018,601 -0.044,602 0.002,603 0.028,604 0.037,605 0.094,606 0.043,607 -0.151,608 0.111,609 -0.161,610 0.006,611 -0.125,612 -0.064,613 0.072,614 -0.102,615 -0.026,616 -0.126,617 0.079,618 -0.094,619 -0.06,620 -0.022,621 0.038,622 0.024,623 -0.001,624 0.041,625 -0.039,626 -0.1,627 -0.159,628 -0.118,629 -0.113,630 -0.151,631 -0.008,632 0.062,633 -0.006,634 0.013,635 -0.04,636 0.005,637 -0.067,638 -0.124,639 -0.058,640 -0.077,641 -0.113,642 -0.071,643 1.7,644 4.444,645 0.71,646 34.583,647 0.993,648 1.128,649 2.149,650 4.618,651 0.653,652 3.555,653 3.85,654 4.078,655 4.331,656 4.564,657 4.533,658 4.595,659 4.682,660 4.727,661 4.754,662 8.423,663 0.613,664 418.59,665 3.555,666 5.081,667 5.911,668 6.772,669 7.618,670 8.482,671 9.335,672 10.199,673 11.055,674 11.919,675 6.6,678 2,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 61,716 18,717 2,718 34,720 64,721 25,722 15,723 5,724 7,730 4,731 5,736 2,745 16,746 9,750 1,755 1,759 1,761 1,764 30,765 6,766 1,767 6,773 4,777 0.75,778 2,786 1,793 4,797 1,805 1,815 2,819 3,823 2,827 31,833 7,834 1,835 1,838 2,847 3.3,850 1,852 1,854 15.5,855 11.433,856 6.833,857 3.721,858 3.437,859 1.436,860 0.983,861 7.054,862 11.324,863 3.795,864 4.357,865 4.881,866 5.454,867 6.002,868 6.157,869 6.425,870 6.724,871 6.945,872 6.684,873 1,874 46,875 11.471,877 4.746,878 7.57,879 22.452,881 18.296,883 2.07,884 64.167,887 1,888 341.362,889 143.527,890 41.045,892 36.145,895 143.527,896 377.507,897 41.045,898 17.65,899 35.237,900 85.286,901 46.635,902 35.908,904 341.362,906 341.362,907 184.572,908 36.145,911 341.362,912 36.145,915 64.037,916 103.75,917 16.786,919 341.362,920 77.19,921 143.527,924 341.362,925 40.591,926 109.185,927 18.011,928 52.93,929 341.362,930 77.19,931 143.527,933 0.573,934 0.32,935 0.179,936 0.104,937 21,938 9,939 0.109,940 7,941 1,942 1.091,943 4.403,944 265.187,945 0.091,946 22,947 142.07,951 21.603,952 10.123,953 5.749,954 2.043,955 77.19,956 18.2,957 4.58,961 3.986,963 18.011,964 562.079,965 43.5,970 11.444,974 -0.033,975 60.549,976 68.81,977 0.245,978 0.56,979 0.74,980 0.867,981 0.902,982 0.902,983 5.019,984 1.525,985 5.872,986 5.175,987 4.533,988 5.043,989 2.397,990 6.629,991 4.454,992 6.195,993 1.427,994 7.392,995 3.818,996 4.007,997 4.783,998 1.738,999 7.413,1000 3.896,1001 7.479,1002 1.38,1003 9.009,1004 3.64,1005 6.071,1006 7.199,1007 3.033,1008 10.49,1009 5.914,1010 8.796,1011 1.22,1012 10.686,1013 2.983,1014 6.347,1015 7.791,1016 3.069,1017 12.129,1018 6.162,1019 10.146,1020 1,1021 12.402,1022 2.705,1023 7.871,1024 9.696,1025 4.068,1026 14.71,1027 7.647,1028 11.52,1029 0.866,1030 14.147,1031 2.275,1032 8.547,1033 10.726,1034 4.417,1035 16.722,1036 8.299,1037 12.914,1038 0.333,1039 15.913,1040 1.999,1041 9.829,1042 12.403,1043 5.257,1044 19.126,1045 9.548,1046 3.054,1047 0.073,1048 17.695,1049 0.804,1050 10.713,1051 13.661,1052 5.751,1053 21.302,1054 10.409,1055 2.907,1056 10.248,1057 19.492,1058 0.177,1059 11.884,1060 15.231,1061 6.503,1062 23.643,1063 11.553,1064 2.615,1065 9.239,1066 21.299,1067 4.458,1068 12.874,1069 16.604,1070 7.069,1071 25.892,1072 12.52,1073 2.344,1074 7.353,1075 23.115,1076 3.819,1077 13.997,1078 18.125,1079 7.771,1080 28.211,1081 13.618,1082 2.221,1083 6.721,1084 24.938,1085 3.17,1086 15.04,1087 19.555,1088 8.375,1089 30.493,1090 14.637,1091 2.049,1092 6.401,1093 26.768,1094 2.703,1095 16.145,1096 21.055,1097 9.051,1098 32.805,1099 15.717,1100 1.887,1101 5.293,1102 28.603,1103 2.64,1104 17.215,1105 22.514,1106 9.674,1107 35.103,1108 16.763,1109 14438,1110 22237,1111 23.057,1112 39.83,1113 49.942,1114 50.751,1115 50.776,1116 49.785,1117 49.803,1118 63.528,1119 9.61,1120 137.663,1121 47.904,1122 5.516,1123 5.543,1124 6.201,1125 5.101,1126 5.054,1127 7.458,1128 3.306,1129 17.078,1130 4.968,1131 13.56,1132 1.469,1133 1.493,1134 1.493,1135 1.464,1136 1.465,1137 1.868,1138 0.283,1139 4.049,1140 1.409,1141 4.077,1142 4.103,1143 4.038,1144 4,1145 7.43,1146 4.006,1147 3.965,1148 4.008,1149 3.898,1150 3.875,1151 5.016,1152 3.875,1153 3.804,1154 3.868,1155 3.694,1156 3.616,1157 4.751,1158 3.626,1159 3.546,1160 3.594,1161 3.447,1162 3.428,1163 4.58,1164 3.423,1165 3.519,1166 3.565,1167 3.419,1168 3.29,1169 4.352,1170 3.312,1171 3.419,1172 3.487,1173 3.273,1174 3.226,1175 4.225,1176 3.227,1177 3.142,1178 3.211,1179 3.01,1180 2.979,1181 3.991,1182 2.974,1183 3.111,1184 3.206,1185 2.892,1186 2.941,1187 3.898,1188 2.912,1189 0.133,1190 0.104,1191 0.192,1192 0.118,1193 0.09,1194 4.516,1195 0.131,1196 3.543,1197 0.056,1198 6.517,1199 0.301,1200 4.026,1201 0.087,1202 3.054,1203 4.458,1204 1.907,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.342,1212 2.12,1213 1.93,1214 1.898,1215 2.056,1216 2.064,1217 1.221,1218 2.065,1219 1.763,1220 1.693,1221 1.958,1222 1.96,1223 1.146,1224 1.964,1225 1.535,1226 1.49,1227 1.745,1228 1.714,1229 0.958,1230 1.719,1231 1.447,1232 1.394,1233 1.707,1234 1.691,1235 0.825,1236 1.696,1237 1.399,1238 1.331,1239 1.671,1240 1.612,1241 0.804,1242 1.637,1243 1.153,1244 1.068,1245 1.513,1246 1.376,1247 0.718,1248 1.429,1249 1.134,1250 1.064,1251 1.425,1252 1.352,1253 0.637,1254 1.377,1255 4.234,1257 5.533,1259 7.026,1261 8.61,1263 10.242,1265 3.554,1271 6.467,1272 2.934,1273 6.102,1276 4.889,1280 37.364,1281 88.472,1282 202.668,1283 267.762,1284 313.51,1285 326.265,1286 326.265,1287 46.366,1288 7.888,1289 57.7,1290 57.7,1291 24,1292 12.468,1293 4.248,1294 3.392,1295 49.889,1296 161,1297 133,1298 0.149,1299 229.828,1300 396.74,1301 552.542,1302 35522,1304 21.631,1305 0.698,1306 0.59,1307 21.631,1308 18.304,1309 15.081,1310 0.444,1311 0.32,1312 10.734,1313 14.527,1314 10.414,1315 8.625,1316 15.081,1317 10.877,1318 13.521,1319 0.294,1320 0.176,1321 13.521,1322 8.08,1323 10.689,1324 0.184,1325 0.098,1326 10.689,1327 5.683,1328 9.053,1329 0.121,1330 0.054,1331 9.053,1332 4.021,1333 7.618,1334 0.08,1335 0.031,1336 7.618,1337 2.921,1338 0.245,1339 94.01,1340 0.208,1341 29.931,1342 0.381,1343 160,1344 422.739,1345 174.028,1346 408.716,1347 562.74,1348 386,1349 184,1350 412.387,1351 198.087,1352 418.395,1353 607.15,1354 394,1355 8.3} {0 CHEMBL495213,1 1.508,2 15.676,3 5.188,4 26.919,5 138.441,6 6.981,7 0.459,8 4.303,9 4.42,10 3.942,11 3.872,12 5.247,13 3.805,14 4.894,15 5.076,16 4.235,17 4.273,18 5.963,19 4.183,20 5.191,21 5.408,22 4.26,23 4.441,24 6.149,25 4.316,26 5.29,27 5.543,28 4.132,29 4.413,30 6.212,31 4.259,32 5.189,33 5.447,34 4.058,35 4.346,36 6.031,37 4.191,38 5.114,39 5.36,40 3.982,41 4.302,42 5.954,43 4.141,44 5.123,45 5.39,46 3.915,47 4.253,48 5.912,49 4.08,50 5.026,51 5.278,52 3.896,53 4.222,54 5.81,55 4.041,56 0.105,57 0.999,58 19.085,59 7.17,60 15.969,61 9.407,62 0.406,63 1.644,64 33.082,65 12.141,66 64.276,67 16.171,68 0.456,69 2.084,70 47.249,71 16.148,72 60.662,73 21.342,74 0.578,75 2.104,76 49.897,77 17.25,78 86.489,79 23.42,80 0.411,81 1.92,82 44.198,83 16.081,84 57.233,85 21.994,86 0.303,87 1.847,88 41.289,89 15.216,90 48.058,91 20.844,92 0.447,93 1.829,94 41.708,95 14.518,96 56.676,97 20.229,98 0.311,99 1.712,100 39.657,101 14.395,102 37.643,103 19.335,104 29,105 52,106 0.237,107 0.541,108 0.763,109 0.841,110 0.845,111 0.845,112 3.56,113 1.108,114 -4.12,115 -4.06,116 -3.84,119 39.1,120 3,121 3,122 1,125 4,127 1,140 9,141 2,142 2,144 2,169 12,171 1,172 8,174 2,176 2,178 16,181 1,182 9,186 4,189 11,192 1,193 8,197 2,199 11,203 9,208 1,211 9,215 10,220 2,222 7,225 1,226 6,233 8,237 6,240 1,244 8,249 5,256 12,259 2076,260 22.557,261 22.557,262 22.557,263 22.557,264 22.557,265 20.206,266 23.821,267 13.227,268 23.099,269 18.269,270 18.269,271 18.269,272 18.269,273 18.269,274 14.642,275 22.566,276 6.293,277 19.102,278 4.6,279 2.665,280 1.251,281 0.757,282 0.728,283 0.728,284 4.254,289 1,290 1143,291 4.243,295 455.044,299 177.661,302 2.557,303 30.859,306 1,307 0.83,308 0.83,309 1,310 0.5,311 1,312 1,313 0.88,314 72.5,315 533,316 4.787,317 4.663,318 7.224,319 4.271,320 3.352,321 4.56,322 0.86,323 12.054,324 3.056,325 4.516,326 3.185,327 6.517,328 4.026,329 3.054,330 4.458,331 0.8,332 10.248,333 2.968,334 4.06,335 2.946,336 5.692,337 3.742,338 2.756,339 3.65,341 8.01,342 2.719,343 3.719,344 2.81,345 5.444,346 3.516,347 2.559,348 3.17,350 7.234,351 2.453,352 3.646,353 2.603,354 5.323,355 3.292,356 2.343,357 2.718,359 6.722,360 2.22,361 3.365,362 2.417,363 5.19,364 3.168,365 2.212,366 2.628,368 6.497,369 2.102,370 3.291,371 2.157,372 4.831,373 2.864,374 1.901,375 2.51,377 5.395,378 1.826,379 3.052,380 2.003,381 4.811,382 2.816,383 1.842,384 2.219,386 5.288,387 1.784,388 2.988,389 1.599,390 4.225,391 2.512,392 1.524,393 2.096,395 3.817,396 1.504,397 2.665,398 1.484,399 4.196,400 2.341,401 1.352,402 1.737,404 3.193,405 1.332,406 2.512,407 1.456,408 3.529,409 2.186,410 1.231,411 1.487,413 2.719,414 1.18,415 2.49,416 1.21,417 3.49,418 2.146,419 1.173,420 1.47,422 2.601,423 1.125,424 2.137,425 1.077,426 3.414,427 1.984,428 1,429 1.08,431 2.275,432 0.983,433 2,434 0.963,435 3.312,436 1.835,437 0.865,438 1,440 1.999,441 0.836,442 1.384,443 0.464,444 2.995,445 1.209,446 0.25,447 0.273,449 0.62,450 0.238,451 16.533,452 0.486,453 0.96,454 0.028,455 41,456 1.206,457 20,458 0.588,459 21,460 0.618,461 34.185,462 1.005,463 38.067,464 0.552,465 30.293,466 0.891,467 7.335,468 0.216,469 8.963,470 0.264,471 0.131,472 0.05,473 0.266,479 0.609,480 1.393,481 0.893,482 1.28,483 0.679,484 1.073,485 0.832,486 1.155,487 0.979,488 1.049,489 0.546,490 0.993,491 1.2,492 1.113,493 1.241,494 1.154,495 0.98,496 1.076,497 1.278,498 0.93,499 0.993,500 0.927,501 1.342,502 0.984,503 1.052,504 0.92,505 0.878,506 0.893,507 0.853,508 0.948,509 0.875,510 1.154,511 1.023,512 1.12,513 0.725,514 1.119,515 1.041,516 0.937,517 0.957,518 0.9,519 0.951,520 0.994,521 0.798,522 1.079,523 1.138,524 1.154,525 0.757,526 1.12,527 8.5,528 0.214,529 3.778,530 2,531 1.671,532 0.889,533 0.748,534 0.444,535 0.332,536 0.229,537 19839,538 47781,539 2.052,540 50.7,541 3,542 18,545 1,546 3,547 10,550 1.752,551 1.915,552 3.88,553 -0.392,559 104.072,560 1.508,561 3.443,562 4.858,563 5.351,564 5.38,565 5.38,566 3.385,567 4.337,568 5.062,569 4.123,570 2313.05,571 8.827,572 38721.9,577 421.488,578 1.533,579 5.01,580 0.23,581 0.008,582 0.073,583 0.038,584 0.038,585 0.021,586 0.019,587 0.013,588 0.01,589 0.007,590 0.457,591 0.33,592 0.88,593 1.005,594 188.205,595 0.116,596 -0.152,597 0.204,598 -0.072,599 -0.121,600 0.014,601 0.182,602 -0.022,603 0.048,604 0.009,605 0.277,606 0.018,607 -0.093,608 -0.038,609 -0.146,610 -0.099,612 -0.085,613 -0.097,614 0.024,615 -0.051,616 0.009,617 -0.075,618 -0.021,619 -0.069,620 0.024,621 0.022,622 0.045,623 -0.028,624 0.034,625 -0.042,626 -0.171,627 -0.093,628 -0.139,629 -0.024,630 -0.119,631 -0.097,632 0.032,633 -0.047,634 0.022,635 -0.11,636 -0.027,637 -0.026,638 -0.074,639 -0.106,640 -0.116,641 -0.042,642 -0.111,643 4.24,644 5.162,645 0.647,646 42.118,647 0.993,648 1.126,649 2.887,650 8.332,651 0.655,652 3.638,653 3.97,654 4.174,655 4.369,656 4.595,657 4.605,658 4.673,659 4.787,660 4.828,661 4.836,662 9.28,663 0.606,664 481.72,665 3.638,666 5.187,667 6.019,668 6.889,669 7.735,670 8.605,671 9.456,672 10.326,673 11.179,674 12.049,675 4.3,678 1,680 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 69,716 19,717 2,718 37,720 72,721 27,722 15,723 5,724 7,730 4,731 5,736 3,740 2,741 1,743 4,745 15,746 12,747 1,750 2,753 1,755 2,764 35,765 6,766 1,767 7,768 1,773 3,777 0.75,778 3,786 1,793 4,797 1,815 1,819 3,821 1,823 3,827 34,830 1,833 7,834 1,835 1,837 2,838 1,847 4.3,850 2,852 1,854 17.75,855 12.983,856 7.347,857 4.379,858 3.429,859 1.424,860 0.969,861 8.002,862 11.517,863 3.882,864 4.489,865 4.958,866 5.484,867 6.027,868 6.229,869 6.497,870 6.831,871 7.005,872 6.745,873 1,874 52,875 12.822,877 5.588,878 7.65,879 24.832,881 20.93,883 2.15,884 73.083,888 400.217,889 154.742,890 36.315,892 55.313,894 5.807,895 148.935,896 455.53,897 36.315,898 26.476,899 18.513,900 91.094,901 77.503,902 32.784,904 400.217,906 400.217,907 185.249,908 55.313,909 5.807,911 282.506,912 173.024,915 53.014,916 99.045,917 38.998,919 400.217,920 91.628,921 154.742,923 5.807,924 400.217,925 37.173,926 114.886,927 16.405,928 72.098,929 400.217,930 91.628,931 154.742,933 0.589,934 0.332,935 0.162,936 0.091,937 24,938 11,939 0.125,940 9,941 1,942 1.091,943 4.604,944 299.62,945 0.091,946 22,947 160.219,950 1,951 24.814,952 10.964,953 6.651,954 2.032,955 91.628,956 17.961,957 4.583,961 3.745,963 16.405,964 646.587,965 47.5,968 -3.324,970 24.324,975 68.501,976 77.686,977 0.247,978 0.564,979 0.795,980 0.876,981 0.881,982 0.881,983 5.131,984 1.842,985 6.028,986 5.395,987 4.654,988 5.176,989 1.235,990 6.836,991 4.57,992 6.35,993 1.524,994 7.595,995 5.288,996 4.369,997 5.223,998 0.325,999 7.938,1000 4.207,1001 7.684,1002 1.352,1003 9.272,1004 3.817,1005 6.293,1006 7.456,1007 0.938,1008 10.93,1009 6.109,1010 9.058,1011 1.231,1012 11.018,1013 3.193,1014 6.804,1015 8.321,1016 0.268,1017 12.879,1018 6.519,1019 10.47,1020 1.173,1021 12.812,1022 2.719,1023 8.246,1024 10.103,1025 0.732,1026 15.471,1027 7.938,1028 11.91,1029 1,1030 14.64,1031 2.601,1032 9.118,1033 11.323,1034 0.188,1035 17.747,1036 8.705,1037 13.371,1038 0.865,1039 16.496,1040 2.275,1041 10.381,1042 12.939,1043 0.57,1044 20.238,1045 9.93,1046 3.352,1047 0.25,1048 18.374,1049 1.999,1050 11.42,1051 14.315,1052 0.125,1053 22.636,1054 10.867,1055 3.054,1056 12.054,1057 20.268,1058 0.62,1059 12.621,1060 15.865,1061 0.438,1062 25.105,1063 12.01,1064 2.756,1065 10.248,1066 22.177,1067 4.56,1068 13.737,1069 17.311,1070 0.082,1071 27.549,1072 13.029,1073 2.559,1074 8.01,1075 24.098,1076 4.458,1077 14.919,1078 18.834,1079 0.334,1080 30.018,1081 14.141,1082 2.343,1083 7.234,1084 26.027,1085 3.65,1086 16.072,1087 20.313,1088 0.054,1089 32.481,1090 15.199,1091 2.212,1092 6.722,1093 27.964,1094 3.17,1095 17.252,1096 21.825,1097 0.252,1098 34.954,1099 16.299,1100 1.901,1101 6.497,1102 29.907,1103 2.718,1104 18.424,1105 23.318,1106 0.035,1107 37.427,1108 17.377,1109 18885,1110 29463,1111 24.444,1112 45.211,1113 54.71,1114 55.886,1115 56.252,1116 54.872,1117 54.831,1118 70.113,1119 3.32,1120 157.341,1121 52.651,1122 5.787,1123 6.663,1124 6.804,1125 5.342,1126 5.352,1127 7.56,1128 1.72,1129 18.94,1130 5.056,1131 18.472,1132 1.479,1133 1.51,1134 1.52,1135 1.483,1136 1.482,1137 1.895,1138 0.09,1139 4.252,1140 1.423,1141 4.09,1142 4.111,1143 4.728,1144 4.03,1145 7.716,1146 4.01,1147 4.042,1148 4.047,1149 4.037,1150 3.987,1151 6.999,1152 3.936,1153 3.909,1154 3.935,1155 3.868,1156 3.842,1157 5.016,1158 3.78,1159 3.785,1160 3.819,1161 3.696,1162 3.671,1163 4.742,1164 3.661,1165 3.549,1166 3.595,1167 3.448,1168 3.43,1169 4.58,1170 3.426,1171 3.441,1172 3.505,1173 3.294,1174 3.278,1175 4.329,1176 3.274,1177 3.281,1178 3.337,1179 3.147,1180 3.095,1181 4.212,1182 3.055,1183 3.145,1184 3.206,1185 3.019,1186 2.983,1187 4.117,1188 2.971,1189 0.129,1190 0.126,1191 0.195,1192 0.115,1193 0.091,1194 4.787,1195 0.123,1196 4.663,1197 0.023,1198 7.224,1199 0.326,1200 4.271,1201 0.083,1202 3.352,1203 4.56,1204 0.86,1205 12.054,1206 3.056,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.121,1213 1.969,1214 1.947,1215 2.102,1216 2.077,1217 1.255,1218 2.098,1219 1.839,1220 1.822,1221 1.972,1222 1.991,1223 1.222,1224 2.027,1225 1.752,1226 1.722,1227 1.884,1228 1.874,1229 1.133,1230 1.913,1231 1.538,1232 1.494,1233 1.752,1234 1.709,1235 0.996,1236 1.724,1237 1.439,1238 1.374,1239 1.698,1240 1.623,1241 0.825,1242 1.653,1243 1.204,1244 1.159,1245 1.513,1246 1.446,1247 0.805,1248 1.484,1249 1.153,1250 1.067,1251 1.447,1252 1.376,1253 0.701,1254 1.429,1255 4.317,1257 5.645,1259 7.16,1261 8.757,1263 10.394,1265 5.373,1271 6.946,1272 2.699,1273 6.116,1275 0.16,1276 2.469,1280 41.824,1281 104.072,1282 237.578,1283 335.184,1284 369.224,1285 371.224,1286 371.224,1287 70.959,1288 8.088,1289 71.53,1290 79.91,1291 24,1292 12.595,1293 4.322,1294 3.524,1295 57.481,1296 197,1297 160,1298 0.142,1299 260.273,1300 450.28,1301 626.827,1302 46020,1304 24.131,1305 0.71,1306 0.622,1307 24.381,1308 21.145,1309 16.298,1310 0.44,1311 0.369,1312 12.133,1313 14.988,1314 11.597,1315 9.647,1316 17.119,1317 13.667,1318 15.333,1319 0.295,1320 0.226,1321 16.718,1322 11.746,1323 12.148,1324 0.19,1325 0.13,1326 13.337,1327 8.297,1328 9.367,1329 0.12,1330 0.066,1331 9.949,1332 5.122,1333 7.716,1334 0.079,1335 0.039,1336 8.217,1337 3.842,1338 0.234,1339 109.307,1340 0.202,1341 32.433,1342 0.359,1343 178,1344 463.69,1345 228.587,1346 469.913,1347 641.02,1348 436,1349 205,1350 446.145,1351 260.928,1352 487.689,1353 704.55,1354 457,1355 9.4} {0 CHEMBL495217,1 1.567,2 15.147,3 4.446,4 19.764,5 135.738,6 7.219,7 0.459,8 4.286,9 4.396,10 3.952,11 3.832,12 5.265,13 3.78,14 4.87,15 5.045,16 4.194,17 4.21,18 5.998,19 4.146,20 5.128,21 5.336,22 4.223,23 4.374,24 6.093,25 4.275,26 5.194,27 5.429,28 4.204,29 4.401,30 6.045,31 4.259,32 5.228,33 5.476,34 4.162,35 4.369,36 6.155,37 4.22,38 5.166,39 5.414,40 4.027,41 4.294,42 6.038,43 4.14,44 5.109,45 5.354,46 3.921,47 4.212,48 5.997,49 4.058,50 5.053,51 5.315,52 3.936,53 4.191,54 5.838,55 4.028,56 0.076,57 0.971,58 18.092,59 6.88,60 16.506,61 8.763,62 0.438,63 1.564,64 32.484,65 11.359,66 67.588,67 14.82,68 0.548,69 1.913,70 39.488,71 13.881,72 62.993,73 18.87,74 0.356,75 1.985,76 44.421,77 16.526,78 46.592,79 22.361,80 0.618,81 1.986,82 46.71,83 16.448,84 76.866,85 22.29,86 0.429,87 1.876,88 47.026,89 15.937,90 61.93,91 21.071,92 0.56,93 1.761,94 41.494,95 13.763,96 77.876,97 18.665,98 0.419,99 1.685,100 41.875,101 14.259,102 47.446,103 19.017,104 31,105 52,106 0.248,107 0.556,108 0.784,109 0.854,110 0.859,111 0.859,112 3.56,113 1.099,114 -3.42,115 -3.4,116 -3.26,119 38.8,120 1,121 3,122 1,124 2,125 4,140 8,141 2,142 3,144 2,169 11,171 1,172 9,174 2,176 1,178 13,181 1,182 7,184 1,186 2,189 10,192 1,193 7,197 2,199 10,202 2,203 10,208 1,211 4,215 11,220 2,222 1,225 1,226 8,233 4,237 5,240 1,244 6,248 1,249 5,256 8,259 2040,260 22.643,261 22.643,262 22.643,263 22.643,264 22.643,265 20.231,266 25.202,267 13.278,268 23.234,269 18.251,270 18.251,271 18.251,272 18.251,273 18.251,274 14.517,275 25.383,276 6.278,277 19.13,278 4.499,279 2.549,280 1.101,281 0.661,282 0.631,283 0.631,284 4.255,289 1,290 1103,291 4.062,295 456.375,299 178.695,302 2.433,303 31.976,306 1,307 0.83,308 0.83,309 1,310 0.5,311 1,312 1,313 0.88,314 73.5,315 515,316 4.655,317 4.312,318 6.517,319 4.112,320 3.171,321 4.458,322 0.86,323 10.377,324 2.972,325 4.516,326 3.185,327 6.516,328 4.026,329 3.054,330 4.45,331 0.86,332 10.248,333 2.968,334 4.221,335 3.116,336 6.052,337 3.792,338 2.824,339 3.873,340 0.8,341 8.829,342 2.728,343 3.728,344 2.898,345 5.583,346 3.606,347 2.65,348 3.17,350 7.651,351 2.533,352 3.707,353 2.66,354 5.331,355 3.308,356 2.363,357 2.913,359 6.862,360 2.227,361 3.492,362 2.589,363 5.293,364 3.258,365 2.308,366 2.633,368 6.702,369 2.187,370 3.296,371 2.171,372 4.918,373 2.933,374 1.962,375 2.576,377 5.717,378 1.897,379 3.08,380 2.076,381 4.813,382 2.839,383 1.878,384 2.22,386 5.291,387 1.797,388 2.989,389 1.855,390 4.342,391 2.512,392 1.524,393 2.104,395 4.077,396 1.504,397 2.871,398 1.598,399 4.196,400 2.453,401 1.501,402 2.004,404 3.817,405 1.424,406 2.491,407 1.462,408 3.527,409 2.16,410 1.229,411 1.488,413 2.714,414 1.134,415 2.14,416 1.104,417 3.414,418 1.984,419 1,420 1.084,422 2.275,423 0.983,424 2,425 1.077,426 3.316,427 1.839,428 0.869,429 1,431 2.006,432 0.839,433 1.872,434 0.962,435 3.185,436 1.594,437 0.692,438 0.79,440 1.333,441 0.617,442 1.363,443 0.739,444 3.046,445 1.181,446 0.237,447 0.257,449 0.552,450 0.222,451 16.367,452 0.481,453 0.955,454 0.028,455 42,456 1.235,457 20.5,458 0.603,459 21.5,460 0.632,461 32.848,462 0.966,463 38.233,464 0.571,465 31.829,466 0.936,467 7.881,468 0.232,469 8.422,470 0.248,471 0.132,472 0.051,473 0.269,479 0.664,480 1.431,481 0.864,482 1.309,483 0.682,484 1.068,485 0.973,486 1.135,487 1.05,488 1.062,489 0.541,490 0.953,491 1.184,492 0.955,493 0.958,494 0.883,495 1.112,496 1.014,497 0.715,498 1.095,499 0.875,500 1.076,501 0.485,502 1.08,503 0.852,504 0.968,505 0.901,506 0.954,507 0.724,508 1.004,509 1.006,510 1.094,511 1.142,512 1.132,513 0.82,514 1.054,515 1.277,516 0.981,517 1.071,518 0.944,519 1.486,520 1.071,521 0.888,522 0.919,523 1.036,524 0.989,525 0.746,526 0.95,527 8.5,528 0.227,529 3.333,530 2.063,531 1.982,532 1.118,533 0.746,534 0.451,535 0.295,536 0.235,537 19507,538 51257,539 2.052,540 49.3,541 3,542 22,545 1,546 3,547 4,550 1.752,551 1.915,552 3.813,553 -0.363,559 104.997,560 1.567,561 3.517,562 4.965,563 5.405,564 5.435,565 5.435,566 3.232,567 4.256,568 5.062,569 4.082,570 2289.82,571 8.831,572 38132.6,577 406.428,578 1.533,579 5.01,580 0.23,581 0.009,582 0.064,583 0.04,584 0.042,585 0.025,586 0.019,587 0.013,588 0.008,589 0.008,590 0.459,591 0.33,592 0.88,593 0.946,594 187.676,595 0.083,596 -0.189,597 0.203,598 -0.102,599 -0.117,600 0.001,601 0.085,602 -0.009,603 -0.029,604 -0.011,605 0.305,606 0.039,607 -0.122,608 0.095,609 -0.103,610 0.029,611 -0.118,612 -0.053,613 0.046,614 -0.115,615 0.027,616 -0.093,617 0.058,618 -0.067,619 0.078,620 -0.011,621 0.026,622 -0.001,623 0.073,624 -0.018,625 -0.073,626 -0.127,627 -0.092,628 -0.102,629 0.006,630 -0.054,631 -0.184,632 -0.011,633 -0.148,634 -0.029,635 -0.232,636 -0.116,637 -0.036,638 0.048,639 0.002,640 0.027,641 -0.02,642 0.05,643 4.279,644 4.676,645 0.647,646 41.529,647 0.999,648 1.127,649 2.194,650 4.815,651 0.655,652 3.638,653 3.97,654 4.159,655 4.419,656 4.654,657 4.673,658 4.7,659 4.82,660 4.844,661 4.905,662 9.112,663 0.612,664 483.69,665 3.638,666 5.187,667 6.014,668 6.893,669 7.735,670 8.614,671 9.463,672 10.341,673 11.193,674 12.071,675 4.5,678 1,680 1,685 1,687 2,688 8,689 1,693 5,695 17,712 2,714 67,716 19,717 2,718 37,720 70,721 26,722 15,723 6,724 6,730 4,731 5,736 1,740 2,741 1,743 3,745 15,746 11,747 1,750 2,753 1,755 2,764 33,765 7,766 1,767 8,768 1,773 3,777 0.75,778 4,786 1,793 4,797 1,815 1,819 3,821 1,823 3,827 34,830 1,833 7,834 1,835 2,837 1,838 1,847 6,850 2,852 2,854 17.75,855 12.733,856 7.375,857 3.983,858 3.417,859 1.422,860 0.973,861 7.971,862 11.508,863 3.882,864 4.5,865 4.951,866 5.534,867 6.089,868 6.3,869 6.534,870 6.85,871 7.026,872 6.813,873 0.9,874 51,875 12.776,877 5.521,878 7.703,879 24.568,881 20.431,883 2.203,884 74.917,888 376.675,889 150.932,890 36.315,892 66.313,894 5.807,895 145.125,896 442.988,897 36.315,898 26.899,899 18.513,900 81.617,901 77.503,902 49.027,904 376.675,906 376.675,907 181.44,908 66.313,909 5.807,911 329.591,912 113.397,915 35.363,916 112.886,917 38.998,919 376.675,920 102.628,921 150.932,923 5.807,924 376.675,925 42.416,926 105.833,927 16.405,928 83.098,929 376.675,930 102.628,931 150.932,933 0.584,934 0.317,935 0.173,936 0.1,937 24,938 11,939 0.129,940 9,941 1,942 1.091,943 4.581,944 301.475,945 0.091,946 22,947 164.974,950 1,951 24.776,952 10.939,953 6.853,954 2.016,955 102.628,956 15.854,957 4.578,961 4.036,963 16.405,964 630.235,965 47.5,968 -3.362,970 23.351,975 66.945,976 75.481,977 0.258,978 0.58,979 0.818,980 0.891,981 0.896,982 0.896,983 5.131,984 1.878,985 6.023,986 5.717,987 4.654,988 5.187,989 1.593,990 6.823,991 4.567,992 6.355,993 1.524,994 7.577,995 5.291,996 4.369,997 5.263,998 0.325,999 7.847,1000 4.216,1001 7.692,1002 1.501,1003 9.231,1004 4.077,1005 6.286,1006 7.477,1007 1.294,1008 10.805,1009 6.114,1010 9.065,1011 1.229,1012 10.942,1013 3.817,1014 6.758,1015 8.338,1016 0.268,1017 12.591,1018 6.513,1019 10.471,1020 1,1021 12.69,1022 2.714,1023 8.191,1024 10.107,1025 1.061,1026 15.124,1027 7.928,1028 11.899,1029 0.869,1030 14.463,1031 2.275,1032 9.006,1033 11.308,1034 0.188,1035 17.218,1036 8.672,1037 13.345,1038 0.692,1039 16.254,1040 2.006,1041 10.248,1042 12.912,1043 0.861,1044 19.612,1045 9.889,1046 3.171,1047 0.237,1048 18.058,1049 1.333,1050 11.225,1051 14.266,1052 0.125,1053 21.837,1054 10.801,1055 3.054,1056 10.377,1057 19.873,1058 0.552,1059 12.391,1060 15.801,1061 0.69,1062 24.183,1063 11.933,1064 2.824,1065 10.248,1066 21.696,1067 4.458,1068 13.446,1069 17.226,1070 0.082,1071 26.465,1072 12.927,1073 2.65,1074 8.829,1075 23.527,1076 4.45,1077 14.583,1078 18.733,1079 0.544,1080 28.797,1081 14.024,1082 2.363,1083 7.651,1084 25.364,1085 3.873,1086 15.675,1087 20.19,1088 0.054,1089 31.104,1090 15.059,1091 2.308,1092 6.862,1093 27.205,1094 3.17,1095 16.804,1096 21.686,1097 0.424,1098 33.432,1099 16.142,1100 1.962,1101 6.702,1102 29.051,1103 2.913,1104 17.915,1105 23.16,1106 0.035,1107 35.75,1108 17.198,1109 18580,1110 30316,1111 24.444,1112 43.904,1113 54.327,1114 56.525,1115 55.776,1116 54.574,1117 54.522,1118 70.038,1119 5.04,1120 156.902,1121 52.062,1122 5.655,1123 6.312,1124 6.097,1125 5.182,1126 5.171,1127 7.458,1128 1.72,1129 17.208,1130 4.972,1131 18.449,1132 1.468,1133 1.528,1134 1.507,1135 1.475,1136 1.474,1137 1.893,1138 0.136,1139 4.241,1140 1.407,1141 4.086,1142 4.109,1143 4.716,1144 4.011,1145 7.718,1146 4.009,1147 4.029,1148 4.038,1149 4.037,1150 3.971,1151 6.999,1152 3.925,1153 3.891,1154 3.917,1155 3.884,1156 3.819,1157 5.016,1158 3.734,1159 3.776,1160 3.779,1161 3.706,1162 3.665,1163 4.853,1164 3.64,1165 3.55,1166 3.595,1167 3.449,1168 3.43,1169 4.58,1170 3.426,1171 3.447,1172 3.508,1173 3.308,1174 3.28,1175 4.403,1176 3.278,1177 3.272,1178 3.332,1179 3.113,1180 3.037,1181 4.306,1182 3.044,1183 3.111,1184 3.206,1185 2.957,1186 2.948,1187 4.202,1188 2.936,1189 0.126,1190 0.117,1191 0.176,1192 0.111,1193 0.086,1194 4.655,1195 0.12,1196 4.312,1197 0.023,1198 6.517,1199 0.28,1200 4.112,1201 0.08,1202 3.171,1203 4.458,1204 0.86,1205 10.377,1206 2.972,1207 2.032,1208 2.011,1209 2.112,1210 2.125,1211 1.478,1212 2.121,1213 1.961,1214 1.939,1215 2.099,1216 2.076,1217 1.223,1218 2.092,1219 1.817,1220 1.782,1221 1.954,1222 1.98,1223 1.159,1224 2.001,1225 1.657,1226 1.677,1227 1.752,1228 1.794,1229 1.018,1230 1.854,1231 1.538,1232 1.494,1233 1.699,1234 1.708,1235 0.931,1236 1.723,1237 1.437,1238 1.375,1239 1.607,1240 1.627,1241 0.825,1242 1.654,1243 1.225,1244 1.162,1245 1.577,1246 1.517,1247 0.805,1248 1.538,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.691,1254 1.429,1255 4.317,1257 5.645,1259 7.155,1261 8.749,1263 10.388,1265 4.688,1271 6.764,1272 2.557,1273 11.409,1275 0.573,1276 2.453,1280 41.012,1281 104.997,1282 235.634,1283 332.654,1284 362.163,1285 364.163,1286 364.163,1287 68.77,1288 8.091,1289 80.76,1290 89.14,1291 24,1292 12.613,1293 4.322,1294 3.524,1295 57.447,1296 194,1297 160,1298 0.144,1299 254.677,1300 441.77,1301 613.173,1302 45178,1304 24.131,1305 0.71,1306 0.615,1307 24.381,1308 20.898,1309 16.303,1310 0.441,1311 0.366,1312 11.669,1313 14.929,1314 11.118,1315 9.239,1316 17.23,1317 13.559,1318 15.459,1319 0.297,1320 0.207,1321 16.841,1322 10.77,1323 11.526,1324 0.183,1325 0.109,1326 11.964,1327 6.878,1328 9.797,1329 0.119,1330 0.062,1331 10.316,1332 5.107,1333 8.077,1334 0.078,1335 0.036,1336 8.582,1337 3.758,1338 0.238,1339 111.511,1340 0.202,1341 32.334,1342 0.367,1343 178,1344 509.426,1345 224.784,1346 505.882,1347 683.59,1348 470,1349 204,1350 473.004,1351 258.137,1352 512.224,1353 734.25,1354 476,1355 8.2} {0 CHEMBL495703,1 1.464,2 13.194,3 3.704,4 13.72,5 121.971,6 7.061,7 0.486,8 4.176,9 4.3,10 3.714,11 3.717,12 5.184,13 3.69,14 4.753,15 4.938,16 4.093,17 4.126,18 5.716,19 4.083,20 5.03,21 5.243,22 4.17,23 4.317,24 5.989,25 4.237,26 5.112,27 5.352,28 4.03,29 4.358,30 5.91,31 4.218,32 5.161,33 5.437,34 3.942,35 4.326,36 5.902,37 4.163,38 5.082,39 5.357,40 3.874,41 4.228,42 5.853,43 4.073,44 4.964,45 5.22,46 3.764,47 4.127,48 5.776,49 3.972,50 4.906,51 5.186,52 3.639,53 4.012,54 5.66,55 3.847,56 0.033,57 0.876,58 12.938,59 5.425,60 7.605,61 7.418,62 0.236,63 1.468,64 25.053,65 8.866,66 23.681,67 12.621,68 0.526,69 1.859,70 34.301,71 11.622,72 49.356,73 16.674,74 0.272,75 1.931,76 37.177,77 14.486,78 32.638,79 20.728,80 0.283,81 1.95,82 40.25,83 15.14,84 38.028,85 22.241,86 0.328,87 1.797,88 37.449,89 13.651,90 40.301,91 19.979,92 0.359,93 1.623,94 32.938,95 11.917,96 39.815,97 17.296,98 0.312,99 1.494,100 31.605,101 11.126,102 35.152,103 16.515,104 10,105 50,106 0.237,107 0.571,108 0.783,109 0.893,110 0.893,111 0.893,112 3.472,113 0.941,114 -3.65,115 -3.62,116 -3.44,119 42.4,120 2,121 1,125 5,127 1,140 8,141 2,142 3,144 2,156 1,169 8,172 9,174 1,176 1,178 9,181 2,182 8,184 1,186 2,189 6,192 1,193 7,197 2,199 6,203 7,211 5,215 6,218 1,222 5,225 2,226 5,233 5,236 1,237 1,242 1,244 4,249 3,252 1,256 9,259 1555,260 21.118,261 21.118,262 21.118,263 21.118,264 21.118,265 18.952,266 28.537,267 12.276,268 21.538,269 17.291,270 17.291,271 17.291,272 17.291,273 17.291,274 13.929,275 39.843,276 5.859,277 17.98,278 4.419,279 2.351,280 1.043,281 0.365,282 0.365,283 0.365,284 4.184,288 1,289 1,290 915,291 2.739,295 430.459,299 287.041,302 2.123,303 21.743,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 409,316 4.553,317 3.653,318 6.701,319 4.119,320 3.153,321 4.474,322 2.03,323 10.882,324 3.052,325 4.302,326 3.318,327 6.212,328 3.924,329 2.962,330 3.93,331 0.892,332 9.343,333 2.847,334 3.929,335 3.063,336 6.076,337 3.765,338 2.823,339 3.257,340 0.8,341 8.777,342 2.652,343 3.724,344 3.007,345 5.731,346 3.415,347 2.465,348 2.97,349 0.8,350 7.704,351 2.358,352 3.643,353 2.687,354 5.265,355 3.328,356 2.341,357 2.826,358 0.141,359 6.72,360 2.286,361 3.42,362 2.538,363 4.971,364 3.061,365 2.067,366 2.655,368 5.786,369 2.045,370 3.357,371 2.251,372 4.952,373 2.996,374 2.025,375 2.61,377 5.746,378 1.956,379 3.03,380 1.982,381 4.581,382 2.575,383 1.601,384 2.254,386 4.548,387 1.559,388 2.885,389 1.669,390 4.389,391 2.51,392 1.57,393 2.01,395 4.281,396 1.469,397 2.774,398 1.598,399 4.206,400 2.447,401 1.478,402 1.843,404 3.81,405 1.428,406 2.489,407 1.469,408 4.014,409 2.382,410 1.404,411 1.489,413 3.416,414 1.369,415 2.251,416 1.346,417 3.383,418 1.885,419 0.917,420 1.168,422 2.12,423 0.884,424 2.058,425 0.964,426 3.333,427 1.762,428 0.809,429 0.989,431 1.927,432 0.765,433 1.764,434 0.825,435 3.225,436 1.579,437 0.63,438 0.702,440 1.53,441 0.594,442 1.238,443 0.652,444 2.749,445 0.96,446 -0.007,447 -0.008,449 -0.017,450 -0.007,451 14.767,452 0.476,453 0.78,454 0.025,455 39.75,456 1.282,457 19,458 0.613,459 20.75,460 0.669,461 28.175,462 0.909,463 33.233,464 0.563,465 28.462,466 0.918,467 7.676,468 0.248,469 7.388,470 0.238,471 0.09,473 0.359,479 0.805,480 1.401,481 0.815,482 1.133,483 0.611,484 0.996,485 1.066,486 1.177,487 0.895,488 0.955,489 0.598,490 0.902,491 1.128,492 0.97,493 1.099,494 0.939,495 0.964,496 0.989,497 0.697,498 1.111,499 1.058,500 1.159,501 0.517,502 1.156,503 0.567,504 0.987,505 0.926,506 1.02,507 0.571,508 1.015,509 0.722,510 0.959,511 0.953,512 0.99,513 0.686,514 0.997,515 0.854,516 1.078,517 1.122,518 1.118,519 0.955,520 1.15,521 0.73,522 1.02,523 0.999,524 1.033,525 0.767,526 1.043,527 6.5,528 0.14,529 3.778,530 1.813,531 2.027,532 0.993,533 0.686,534 0.465,535 0.295,536 0.202,537 15029,538 35264,539 2.16,540 47.5,542 19,545 1,546 3,547 5,550 1.731,551 2.044,552 3.662,553 -0.393,555 1,559 86.374,560 1.464,561 3.532,562 4.84,563 5.518,564 5.518,565 5.518,566 3.1,567 4.954,568 4.928,569 3.857,570 1793.33,571 8.575,572 26204.9,574 1,577 347.076,578 1.332,579 4.896,580 0.186,581 0.006,582 0.076,583 0.035,584 0.046,585 0.025,586 0.019,587 0.015,588 0.011,589 0.007,590 0.424,591 0.5,592 0.88,593 0.486,594 163.234,595 -0.002,596 -0.21,597 0.078,598 -0.069,599 -0.023,601 -0.018,602 -0.046,603 0.064,604 0.032,605 0.078,606 0.056,607 -0.012,608 0.126,609 -0.12,610 0.023,611 0.008,612 -0.043,613 -0.019,614 -0.117,615 -0.117,616 -0.144,617 0.016,618 -0.145,619 0.022,620 -0.044,621 0.03,622 -0.022,623 0.026,624 0.003,625 0.007,626 -0.01,627 0.019,628 -0.006,629 -0.01,630 0.005,631 -0.014,632 -0.1,633 -0.151,634 -0.137,635 -0.113,636 -0.161,637 0.033,638 -0.071,639 -0.02,640 -0.063,641 -0.034,642 -0.05,643 1.756,644 4.578,645 0.839,646 32.102,647 0.994,648 1.125,649 2.417,650 5.842,651 0.662,652 3.584,653 3.932,654 4.22,655 4.5,656 4.787,657 4.844,658 4.942,659 5.088,660 5.209,661 5.193,662 7.738,663 0.624,664 416.57,665 3.584,666 5.142,667 6.004,668 6.891,669 7.767,670 8.655,671 9.536,672 10.425,673 11.308,674 12.198,675 6.8,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 6,724 6,730 5,731 7,736 2,740 1,743 2,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 2,827 31,833 6,834 1,835 1,837 1,838 2,847 3.4,850 1,852 1,854 15.167,855 11.183,856 6.639,857 3.707,858 3.452,859 1.414,860 1.008,861 5.554,862 11.797,863 3.818,864 4.419,865 4.985,866 5.568,867 6.15,868 6.392,869 6.695,870 7.036,871 7.321,872 7.192,873 0.889,874 52,875 11.491,877 4.924,878 7.554,879 22.569,881 19.134,883 2.054,884 63.667,887 1,888 317.82,889 135.131,890 41.045,892 36.145,895 135.131,896 353.965,897 41.045,898 17.65,899 33.56,900 75.81,901 46.635,902 38.665,904 317.82,906 317.82,907 176.176,908 36.145,911 258.964,912 95,915 59.236,916 100.154,917 16.786,919 317.82,920 77.19,921 135.131,924 317.82,925 41.671,926 99.709,927 18.011,928 52.93,929 317.82,930 77.19,931 135.131,933 0.589,934 0.345,935 0.188,936 0.11,937 26,938 11,939 0.063,940 4,941 2,942 1.154,943 4.331,944 285.725,945 0.154,946 26,947 151.58,951 20.289,952 8.486,953 4.254,954 2.295,955 77.19,956 16.811,957 4.691,961 5.087,963 18.011,964 530.141,965 44.5,970 11.578,974 -0.09,975 58.665,976 66.394,977 0.249,978 0.6,979 0.823,980 0.938,981 0.938,982 0.938,983 5.077,984 1.601,985 5.994,986 5.746,987 4.615,988 5.106,989 2.452,990 6.808,991 4.539,992 6.274,993 1.57,994 7.553,995 4.548,996 4.205,997 4.934,998 1.738,999 7.687,1000 4.095,1001 7.58,1002 1.478,1003 9.208,1004 4.281,1005 6.217,1006 7.29,1007 3.301,1008 10.783,1009 6.061,1010 8.916,1011 1.404,1012 10.919,1013 3.81,1014 6.594,1015 7.935,1016 3.226,1017 12.484,1018 6.399,1019 10.284,1020 0.917,1021 12.666,1022 3.416,1023 8.083,1024 9.797,1025 4.5,1026 15.099,1027 7.848,1028 11.673,1029 0.809,1030 14.438,1031 2.12,1032 8.84,1033 10.852,1034 4.754,1035 17.159,1036 8.563,1037 13.08,1038 0.63,1039 16.23,1040 1.927,1041 10.108,1042 12.505,1043 5.815,1044 19.605,1045 9.795,1046 3.153,1047 -0.007,1048 18.036,1049 1.53,1050 11.052,1051 13.773,1052 6.249,1053 21.828,1054 10.699,1055 2.962,1056 10.882,1057 19.855,1058 -0.017,1059 12.227,1060 15.33,1061 7.175,1062 24.215,1063 11.84,1064 2.823,1065 9.343,1066 21.683,1067 4.474,1068 13.262,1069 16.707,1070 7.714,1071 26.514,1072 12.836,1073 2.465,1074 8.777,1075 23.519,1076 3.93,1077 14.399,1078 18.222,1079 8.557,1080 28.883,1081 13.941,1082 2.341,1083 7.704,1084 25.363,1085 3.257,1086 15.478,1087 19.654,1088 9.16,1089 31.219,1090 14.984,1091 2.067,1092 6.72,1093 27.212,1094 2.97,1095 16.603,1096 21.151,1097 9.952,1098 33.587,1099 16.077,1100 2.025,1101 5.786,1102 29.066,1103 2.826,1104 17.704,1105 22.611,1106 10.594,1107 35.943,1108 17.145,1109 13763,1110 21250,1111 23.868,1112 39.069,1113 52.758,1114 54.023,1115 54.078,1116 52.455,1117 52.488,1118 66.353,1119 9.327,1120 153.176,1121 50.528,1122 5.553,1123 5.653,1124 6.221,1125 5.227,1126 5.153,1127 7.474,1128 3.634,1129 18.09,1130 5.052,1131 13.029,1132 1.507,1133 1.544,1134 1.545,1135 1.499,1136 1.5,1137 1.896,1138 0.266,1139 4.376,1140 1.444,1141 4.098,1142 4.132,1143 4.055,1144 4.017,1145 7.429,1146 4.022,1147 3.98,1148 4.006,1149 3.929,1150 3.887,1151 4.984,1152 3.892,1153 3.817,1154 3.88,1155 3.716,1156 3.64,1157 4.845,1158 3.649,1159 3.557,1160 3.602,1161 3.469,1162 3.422,1163 4.454,1164 3.417,1165 3.507,1166 3.553,1167 3.406,1168 3.338,1169 4.338,1170 3.358,1171 3.283,1172 3.362,1173 3.147,1174 3.116,1175 4.255,1176 3.111,1177 3.27,1178 3.346,1179 3.057,1180 3.099,1181 3.967,1182 3.08,1183 3.085,1184 3.16,1185 2.93,1186 2.948,1187 3.883,1188 2.932,1189 0.13,1190 0.104,1191 0.191,1192 0.118,1193 0.09,1194 4.553,1195 0.128,1196 3.653,1197 0.058,1198 6.701,1199 0.311,1200 4.119,1201 0.087,1202 3.153,1203 4.474,1204 2.03,1205 10.882,1206 3.052,1207 2.048,1208 2.022,1209 2.13,1210 2.149,1211 1.378,1212 2.146,1213 1.938,1214 1.914,1215 2.051,1216 2.061,1217 1.24,1218 2.057,1219 1.776,1220 1.713,1221 1.96,1222 1.973,1223 1.166,1224 1.972,1225 1.53,1226 1.483,1227 1.738,1228 1.715,1229 0.912,1230 1.716,1231 1.469,1232 1.427,1233 1.69,1234 1.655,1235 0.895,1236 1.676,1237 1.305,1238 1.223,1239 1.633,1240 1.522,1241 0.806,1242 1.568,1243 1.262,1244 1.198,1245 1.514,1246 1.473,1247 0.692,1248 1.491,1249 1.111,1250 1.038,1251 1.425,1252 1.303,1253 0.509,1254 1.35,1255 4.263,1257 5.602,1259 7.143,1261 8.776,1263 10.456,1265 4.344,1271 5.082,1272 2.9,1273 5.461,1275 0.461,1276 5.046,1280 36.837,1281 86.374,1282 208.365,1283 285.566,1284 325.566,1285 325.566,1286 325.566,1287 42.944,1288 8.345,1289 57.7,1290 57.7,1291 30,1292 12.728,1293 4.248,1294 3.392,1295 43.954,1296 147,1297 126,1298 0.145,1299 222.435,1300 384.38,1301 534.502,1302 58165,1304 21.372,1305 0.689,1306 0.584,1307 21.372,1308 18.097,1309 15.064,1310 0.43,1311 0.314,1312 10.839,1313 14.537,1314 10.529,1315 8.684,1316 15.064,1317 10.976,1318 13.942,1319 0.279,1320 0.171,1321 13.942,1322 8.545,1323 11.888,1324 0.177,1325 0.094,1326 11.888,1327 6.318,1328 10.089,1329 0.113,1330 0.052,1331 10.089,1332 4.621,1333 8.692,1334 0.073,1335 0.028,1336 8.692,1337 3.363,1338 0.234,1339 93.834,1340 0.205,1341 29.513,1342 0.383,1343 170,1344 434.739,1345 184.694,1346 420.957,1347 588.71,1348 398,1349 202,1350 443.443,1351 217.749,1352 448.982,1353 659.97,1354 424,1355 8.801} {0 CHEMBL495705,1 1.464,2 13.226,3 3.704,4 13.72,5 121.971,6 7.061,7 0.486,8 4.176,9 4.3,10 3.714,11 3.717,12 5.184,13 3.69,14 4.753,15 4.938,16 4.093,17 4.126,18 5.716,19 4.083,20 5.03,21 5.243,22 4.17,23 4.317,24 5.99,25 4.237,26 5.112,27 5.353,28 4.043,29 4.36,30 5.91,31 4.223,32 5.147,33 5.413,34 3.965,35 4.341,36 5.909,37 4.183,38 5.116,39 5.391,40 3.869,41 4.249,42 5.886,43 4.084,44 5.001,45 5.28,46 3.709,47 4.098,48 5.773,49 3.933,50 4.817,51 5.087,52 3.618,53 3.962,54 5.579,55 3.807,56 0.033,57 0.876,58 12.938,59 5.425,60 7.605,61 7.418,62 0.236,63 1.468,64 25.053,65 8.866,66 23.691,67 12.621,68 0.526,69 1.859,70 34.301,71 11.622,72 49.24,73 16.674,74 0.277,75 1.929,76 37.231,77 14.474,78 32.964,79 20.723,80 0.265,81 1.95,82 39.266,83 14.985,84 37.199,85 21.877,86 0.323,87 1.855,88 38.717,89 14.186,90 41.125,91 20.783,92 0.421,93 1.643,94 35.034,95 12.038,96 43.696,97 17.782,98 0.278,99 1.376,100 28.647,101 10.335,102 30.282,103 15.18,104 10,105 50,106 0.237,107 0.571,108 0.783,109 0.893,110 0.893,111 0.893,112 3.472,113 0.941,114 -3.65,115 -3.62,116 -3.44,119 42.4,120 2,121 1,125 5,127 1,140 8,141 2,142 3,144 2,156 1,169 8,172 9,174 1,176 1,178 9,181 2,182 8,184 1,186 2,189 6,192 1,193 7,197 2,199 7,203 7,211 5,215 7,218 1,222 4,225 2,226 4,233 4,236 1,237 1,244 6,249 2,252 1,254 1,256 8,259 1528,260 21.118,261 21.118,262 21.118,263 21.118,264 21.118,265 18.952,266 28.537,267 12.294,268 21.538,269 17.297,270 17.297,271 17.297,272 17.297,273 17.297,274 13.939,275 39.843,276 5.876,277 17.987,278 4.419,279 2.351,280 1.043,281 0.365,282 0.365,283 0.365,284 4.184,288 1,289 1,290 917,291 2.739,295 430.368,299 286.96,302 2.089,303 21.744,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 410,316 4.562,317 3.653,318 6.783,319 4.149,320 3.187,321 4.475,322 2.03,323 11.147,324 3.073,325 4.302,326 3.368,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.957,335 3.041,336 6.09,337 3.729,338 2.78,339 3.282,340 0.8,341 8.781,342 2.63,343 3.691,344 2.938,345 5.423,346 3.403,347 2.438,348 2.964,349 0.8,350 7.121,351 2.363,352 3.586,353 2.694,354 5.25,355 3.268,356 2.299,357 2.814,358 0.141,359 6.641,360 2.213,361 3.43,362 2.503,363 5.062,364 3.089,365 2.109,366 2.642,368 5.948,369 2.064,370 3.309,371 2.304,372 4.951,373 2.992,374 2.019,375 2.526,377 5.772,378 1.944,379 3.065,380 1.978,381 4.77,382 2.714,383 1.74,384 2.248,386 4.995,387 1.69,388 2.917,389 1.819,390 4.387,391 2.508,392 1.568,393 2.02,395 4.278,396 1.5,397 2.884,398 1.549,399 4.266,400 2.504,401 1.513,402 2.008,404 3.846,405 1.467,406 2.463,407 1.404,408 3.906,409 2.258,410 1.291,411 1.456,413 3.179,414 1.245,415 2.203,416 1.347,417 3.383,418 1.881,419 0.912,420 1.141,422 2.115,423 0.88,424 2.059,425 0.953,426 3.331,427 1.769,428 0.818,429 0.989,431 1.935,432 0.771,433 1.732,434 0.827,435 3.217,436 1.548,437 0.597,438 0.663,440 1.463,441 0.564,442 1.235,443 0.634,444 2.766,445 0.962,446 -0.008,447 -0.009,449 -0.019,450 -0.008,451 14.767,452 0.476,453 0.78,454 0.025,455 39.75,456 1.282,457 19,458 0.613,459 20.75,460 0.669,461 28.166,462 0.909,463 33.233,464 0.563,465 28.499,466 0.919,467 7.672,468 0.247,469 7.392,470 0.238,471 0.09,473 0.359,479 0.805,480 1.401,481 0.815,482 1.133,483 0.611,484 0.996,485 1.066,486 1.177,487 0.895,488 0.955,489 0.598,490 0.902,491 1.128,492 0.97,493 1.099,494 0.939,495 0.964,496 0.989,497 0.692,498 1.079,499 1.027,500 1.121,501 0.508,502 1.117,503 0.58,504 1.034,505 0.971,506 1.073,507 0.591,508 1.069,509 0.698,510 1.027,511 0.988,512 1.059,513 0.677,514 1.059,515 0.886,516 0.938,517 1.061,518 0.977,519 0.95,520 1.028,521 0.723,522 1.015,523 0.985,524 1.034,525 0.759,526 1.039,527 6.5,528 0.161,529 3.556,530 1.938,531 2.187,532 0.91,533 0.683,534 0.465,535 0.242,536 0.199,537 15037,538 35284,539 2.16,540 47.5,542 19,545 1,546 3,547 5,550 1.731,551 2.044,552 3.667,553 -0.393,555 1,559 86.374,560 1.464,561 3.532,562 4.84,563 5.518,564 5.518,565 5.518,566 3.116,567 4.89,568 4.928,569 3.857,570 1793.3,571 8.574,572 26218.6,574 1,577 347.076,578 1.332,579 4.896,580 0.186,581 0.006,582 0.071,583 0.037,584 0.049,585 0.022,586 0.019,587 0.016,588 0.009,589 0.008,590 0.422,591 0.5,592 0.88,593 0.486,594 163.256,595 -0.002,596 -0.21,597 0.078,598 -0.069,599 -0.023,601 -0.018,602 -0.046,603 0.064,604 0.032,605 0.077,606 0.056,607 -0.012,608 0.126,609 -0.12,610 0.023,611 0.007,612 -0.043,613 -0.013,614 -0.088,615 -0.084,616 -0.107,617 0.026,618 -0.106,619 0.006,620 -0.074,621 -0.023,622 -0.069,623 0.008,624 -0.051,625 0.013,626 -0.083,627 -0.019,628 -0.074,629 -0.013,630 -0.055,631 -0.016,632 0.018,633 -0.069,634 -0.02,635 -0.101,636 -0.048,637 0.041,638 -0.06,639 -0.012,640 -0.053,641 -0.016,642 -0.041,643 1.756,644 4.572,645 0.839,646 32.042,647 0.994,648 1.125,649 2.417,650 5.842,651 0.662,652 3.584,653 3.932,654 4.22,655 4.511,656 4.796,657 4.844,658 4.934,659 5.094,660 5.182,661 5.182,662 7.747,663 0.624,664 416.57,665 3.584,666 5.142,667 6.004,668 6.893,669 7.769,670 8.66,671 9.542,672 10.434,673 11.318,674 12.21,675 6.8,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 6,724 6,730 5,731 7,736 2,740 1,743 2,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 2,827 31,833 6,834 1,835 1,837 1,838 2,847 3.4,850 1,852 1,854 15.167,855 11.183,856 6.639,857 3.707,858 3.452,859 1.414,860 1.008,861 5.554,862 11.797,863 3.818,864 4.419,865 4.985,866 5.575,867 6.158,868 6.4,869 6.699,870 7.053,871 7.31,872 7.19,873 0.889,874 52,875 11.491,877 4.925,878 7.554,879 22.569,881 19.134,883 2.054,884 63.667,887 1,888 317.82,889 135.131,890 41.045,892 36.145,895 135.131,896 353.965,897 41.045,898 17.65,899 33.56,900 75.81,901 46.635,902 38.665,904 317.82,906 317.82,907 176.176,908 36.145,911 258.964,912 95,915 59.236,916 100.154,917 16.786,919 317.82,920 77.19,921 135.131,924 317.82,925 41.671,926 99.709,927 18.011,928 52.93,929 317.82,930 77.19,931 135.131,933 0.589,934 0.344,935 0.191,936 0.111,937 26,938 11,939 0.063,940 4,941 2,942 1.154,943 4.328,944 285.936,945 0.154,946 26,947 147.58,951 20.289,952 8.486,953 4.254,954 2.294,955 77.19,956 16.818,957 4.697,961 5.089,963 18.011,964 530.141,965 44.5,970 11.572,974 -0.089,975 58.665,976 66.394,977 0.249,978 0.6,979 0.823,980 0.938,981 0.938,982 0.938,983 5.077,984 1.74,985 5.994,986 5.772,987 4.615,988 5.106,989 2.452,990 6.81,991 4.539,992 6.274,993 1.568,994 7.553,995 4.995,996 4.205,997 4.934,998 1.738,999 7.695,1000 4.095,1001 7.58,1002 1.513,1003 9.208,1004 4.278,1005 6.217,1006 7.29,1007 3.301,1008 10.802,1009 6.061,1010 8.916,1011 1.291,1012 10.92,1013 3.846,1014 6.594,1015 7.935,1016 3.226,1017 12.522,1018 6.399,1019 10.284,1020 0.912,1021 12.67,1022 3.179,1023 8.085,1024 9.798,1025 4.5,1026 15.155,1027 7.849,1028 11.674,1029 0.818,1030 14.446,1031 2.115,1032 8.846,1033 10.854,1034 4.754,1035 17.245,1036 8.568,1037 13.082,1038 0.597,1039 16.243,1040 1.935,1041 10.118,1042 12.507,1043 5.815,1044 19.714,1045 9.803,1046 3.187,1047 -0.008,1048 18.057,1049 1.463,1050 11.07,1051 13.776,1052 6.249,1053 21.97,1054 10.713,1055 2.961,1056 11.147,1057 19.884,1058 -0.019,1059 12.251,1060 15.333,1061 7.175,1062 24.383,1063 11.858,1064 2.78,1065 9.342,1066 21.722,1067 4.475,1068 13.296,1069 16.711,1070 7.714,1071 26.715,1072 12.863,1073 2.438,1074 8.781,1075 23.57,1076 3.93,1077 14.442,1078 18.226,1079 8.557,1080 29.113,1081 13.974,1082 2.299,1083 7.121,1084 25.425,1085 3.282,1086 15.532,1087 19.659,1088 9.16,1089 31.48,1090 15.025,1091 2.109,1092 6.641,1093 27.288,1094 2.964,1095 16.666,1096 21.156,1097 9.952,1098 33.876,1099 16.125,1100 2.019,1101 5.948,1102 29.156,1103 2.814,1104 17.78,1105 22.617,1106 10.594,1107 36.261,1108 17.201,1109 13771,1110 21264,1111 23.868,1112 39.069,1113 52.718,1114 53.998,1115 54.064,1116 52.428,1117 52.46,1118 66.317,1119 9.327,1120 153.127,1121 50.501,1122 5.562,1123 5.653,1124 6.302,1125 5.257,1126 5.187,1127 7.475,1128 3.634,1129 18.522,1130 5.073,1131 13.025,1132 1.506,1133 1.543,1134 1.545,1135 1.498,1136 1.499,1137 1.895,1138 0.266,1139 4.375,1140 1.443,1141 4.099,1142 4.133,1143 4.057,1144 4.018,1145 7.429,1146 4.023,1147 3.979,1148 4.005,1149 3.929,1150 3.887,1151 4.984,1152 3.892,1153 3.813,1154 3.876,1155 3.711,1156 3.636,1157 4.845,1158 3.645,1159 3.562,1160 3.608,1161 3.472,1162 3.419,1163 4.456,1164 3.415,1165 3.502,1166 3.549,1167 3.399,1168 3.344,1169 4.332,1170 3.361,1171 3.335,1172 3.408,1173 3.184,1174 3.158,1175 4.254,1176 3.154,1177 3.223,1178 3.304,1179 3.017,1180 3.059,1181 3.957,1182 3.04,1183 3.084,1184 3.159,1185 2.937,1186 2.948,1187 3.885,1188 2.933,1189 0.13,1190 0.104,1191 0.194,1192 0.119,1193 0.091,1194 4.562,1195 0.128,1196 3.653,1197 0.058,1198 6.783,1199 0.318,1200 4.149,1201 0.088,1202 3.187,1203 4.475,1204 2.03,1205 11.147,1206 3.073,1207 2.049,1208 2.023,1209 2.13,1210 2.15,1211 1.377,1212 2.147,1213 1.938,1214 1.914,1215 2.05,1216 2.06,1217 1.241,1218 2.056,1219 1.772,1220 1.708,1221 1.957,1222 1.97,1223 1.164,1224 1.969,1225 1.529,1226 1.481,1227 1.736,1228 1.724,1229 0.932,1230 1.724,1231 1.476,1232 1.432,1233 1.708,1234 1.649,1235 0.88,1236 1.674,1237 1.33,1238 1.26,1239 1.626,1240 1.55,1241 0.805,1242 1.582,1243 1.238,1244 1.165,1245 1.514,1246 1.449,1247 0.695,1248 1.479,1249 1.11,1250 1.038,1251 1.424,1252 1.303,1253 0.491,1254 1.349,1255 4.263,1257 5.602,1259 7.143,1261 8.778,1263 10.46,1265 4.343,1271 5.115,1272 2.898,1273 5.458,1275 0.428,1276 5.046,1280 36.837,1281 86.374,1282 208.365,1283 285.566,1284 325.566,1285 325.566,1286 325.566,1287 42.973,1288 8.345,1289 57.7,1290 57.7,1291 30,1292 12.739,1293 4.248,1294 3.392,1295 43.968,1296 148,1297 126,1298 0.145,1299 222.435,1300 384.38,1301 534.502,1302 58165,1304 21.372,1305 0.689,1306 0.584,1307 21.372,1308 18.097,1309 15.064,1310 0.43,1311 0.314,1312 10.839,1313 14.537,1314 10.529,1315 8.685,1316 15.064,1317 10.976,1318 13.952,1319 0.279,1320 0.171,1321 13.952,1322 8.557,1323 11.827,1324 0.177,1325 0.093,1326 11.827,1327 6.263,1328 10.168,1329 0.113,1330 0.052,1331 10.168,1332 4.658,1333 8.757,1334 0.073,1335 0.028,1336 8.757,1337 3.4,1338 0.234,1339 93.834,1340 0.205,1341 29.516,1342 0.382,1343 170,1344 434.739,1345 184.694,1346 420.997,1347 588.75,1348 398,1349 202,1350 443.443,1351 217.749,1352 449.034,1353 660.42,1354 424,1355 9.5} {0 CHEMBL495895,1 1.38,2 15.03,3 4.66,4 21.718,5 131.313,6 6.722,7 0.459,8 4.267,9 4.392,10 3.764,11 3.827,12 5.223,13 3.782,14 4.862,15 5.051,16 4.117,17 4.244,18 5.754,19 4.172,20 5.157,21 5.39,22 4.143,23 4.397,24 6.01,25 4.285,26 5.184,27 5.432,28 4.041,29 4.378,30 6.01,31 4.233,32 5.171,33 5.433,34 3.949,35 4.329,36 5.942,37 4.174,38 5.092,39 5.356,40 3.862,41 4.248,42 5.841,43 4.085,44 5.038,45 5.309,46 3.776,47 4.17,48 5.762,49 4.009,50 4.965,51 5.228,52 3.781,53 4.158,54 5.686,55 4.001,56 0.05,57 0.936,58 15.109,59 6.485,60 7.346,61 8.949,62 0.255,63 1.597,64 28.846,65 10.817,66 21.123,67 15.428,68 0.419,69 1.999,70 39.909,71 14.366,72 37.571,73 20.578,74 0.362,75 1.957,76 40.934,77 15.949,78 46.172,79 22.496,80 0.354,81 1.907,82 40.714,83 15.485,84 41.511,85 21.974,86 0.282,87 1.792,88 37.411,89 14.27,90 35.095,91 20.52,92 0.367,93 1.707,94 35.857,95 12.89,96 35.826,97 18.723,98 0.272,99 1.607,100 32.81,101 12.619,102 23.99,103 18.169,104 5,105 51,106 0.219,107 0.521,108 0.744,109 0.864,110 0.869,111 0.869,112 3.531,113 0.994,114 -4.75,115 -4.67,116 -4.39,119 42.4,120 1,121 5,122 1,125 5,140 9,141 2,142 2,144 2,156 1,169 13,171 1,172 13,178 15,181 1,182 8,189 11,192 1,193 8,199 15,203 8,211 9,215 10,222 7,225 1,226 5,233 6,236 1,237 4,244 10,249 5,256 8,259 1908,260 22.739,261 22.739,262 22.739,263 22.739,264 22.739,265 20.599,266 28.044,267 13.514,268 23.133,269 18.303,270 18.303,271 18.303,272 18.303,273 18.303,274 15.032,275 32.95,276 6.439,277 18.925,278 4.664,279 2.755,280 1.345,281 0.587,282 0.557,283 0.557,284 4.243,289 1,290 1104,291 3,294 96.876,295 423.513,299 167.119,302 2.393,303 21.404,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69.5,315 496,316 4.516,317 3.766,318 6.517,319 4.026,320 3.054,321 4.458,322 1.94,323 10.248,324 2.968,325 4.264,326 3.185,327 6.465,328 3.986,329 3.025,330 3.767,331 0.86,332 10.009,333 2.906,334 3.863,335 2.949,336 5.632,337 3.687,338 2.709,339 3.17,340 0.8,341 7.814,342 2.657,343 3.718,344 2.827,345 5.374,346 3.435,347 2.471,348 3.124,349 0.555,350 7.025,351 2.384,352 3.611,353 2.608,354 5.319,355 3.288,356 2.338,357 2.663,359 6.712,360 2.219,361 3.317,362 2.532,363 5.104,364 3.114,365 2.14,366 2.623,368 6.165,369 2.068,370 3.281,371 2.168,372 4.814,373 2.854,374 1.893,375 2.444,377 5.294,378 1.815,379 3.046,380 2.067,381 4.791,382 2.79,383 1.797,384 2.219,386 5.175,387 1.775,388 2.988,389 1.639,390 4.196,391 2.512,392 1.524,393 2.091,395 3.817,396 1.504,397 2.674,398 1.593,399 3.797,400 2.235,401 1.25,402 1.743,404 2.852,405 1.231,406 2.49,407 1.461,408 3.526,409 2.154,410 1.206,411 1.487,413 2.704,414 1.142,415 2.349,416 1.271,417 3.478,418 2.143,419 1.133,420 1.267,422 2.512,423 1.126,424 2.137,425 1.077,426 3.414,427 1.984,428 1,429 1.08,431 2.275,432 0.983,433 2,434 0.964,435 3.383,436 1.836,437 0.865,438 1,440 2.021,441 0.836,442 1.918,443 0.962,444 3.312,445 1.756,446 0.786,447 0.871,449 1.996,450 0.761,451 15.867,452 0.481,453 0.691,454 0.021,455 39.75,456 1.205,457 18.5,458 0.561,459 21.25,460 0.644,461 31.774,462 0.963,463 35.733,464 0.541,465 27.526,466 0.834,467 7.345,468 0.223,469 8.808,470 0.267,471 0.053,473 0.303,479 0.753,480 1.364,481 0.863,482 1.155,483 0.569,484 1.04,485 1.032,486 1.169,487 0.979,488 1.032,489 0.616,490 0.997,491 1.242,492 0.973,493 1.084,494 0.979,495 1.021,496 1.001,497 0.984,498 1.031,499 1.013,500 1.071,501 1.029,502 1.055,503 1.102,504 0.962,505 1.018,506 0.995,507 0.905,508 1.002,509 0.907,510 1.098,511 1.017,512 1.085,513 0.759,514 1.069,515 1.109,516 0.957,517 1.068,518 0.961,519 0.981,520 1.001,521 0.802,522 0.979,523 1,524 1.02,525 0.753,526 1.027,527 6,528 0.178,529 3.333,530 1.875,531 1.401,532 0.687,533 0.624,534 0.348,535 0.21,536 0.186,537 19534,538 41463,539 2.168,540 50,541 3,542 19,546 5,547 6,550 1.744,551 2.084,552 3.825,553 -0.841,559 91.104,560 1.38,561 3.289,562 4.699,563 5.457,564 5.488,565 5.488,566 3.242,567 4.802,568 5.02,569 4.064,570 2145.98,571 8.739,572 34870,577 398.93,578 1.182,579 4.999,580 0.162,581 0.008,582 0.065,583 0.038,584 0.032,585 0.017,586 0.017,587 0.011,588 0.006,589 0.006,590 0.362,591 0.33,592 0.88,593 0.398,594 180.547,595 0.034,596 -0.179,597 0.08,598 -0.057,599 0.023,600 0.002,601 0.007,602 -0.044,603 0.005,604 -0.019,605 0.058,606 -0.009,607 -0.083,608 0.074,609 -0.083,610 -0.003,611 -0.036,612 -0.033,613 0.015,614 -0.069,615 -0.033,616 -0.068,617 0.011,618 -0.058,619 -0.073,620 -0.013,621 -0.031,622 -0.006,623 -0.053,624 -0.014,625 -0.026,626 -0.138,627 -0.043,628 -0.096,629 -0.026,630 -0.077,631 -0.09,632 0.025,633 -0.075,634 -0.002,635 -0.107,636 -0.033,637 -0.007,638 0.004,639 -0.032,640 -0.03,641 -0.03,642 -0.033,643 1.405,644 5.074,645 0.818,646 38.733,647 0.988,648 1.123,649 3.525,650 12.424,651 0.657,652 3.638,653 3.951,654 4.22,655 4.477,656 4.663,657 4.682,658 4.771,659 4.875,660 4.927,661 4.977,662 8.965,663 0.612,664 443.64,665 3.638,666 5.176,667 6.023,668 6.893,669 7.751,670 8.622,671 9.483,672 10.355,673 11.218,674 12.091,675 4.5,678 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 66,716 18,717 2,718 37,720 70,721 28,722 15,723 5,724 7,730 5,731 6,736 1,740 4,741 1,743 5,745 16,746 12,747 1,750 1,755 1,759 1,764 33,765 5,767 5,773 3,777 0.8,778 2,786 1,792 1,793 4,797 1,806 1,815 1,819 4,823 1,827 33,833 10,835 1,837 1,838 2,847 3,850 1,852 1,854 15.833,855 12.017,856 7.194,857 4.364,858 3.44,859 1.414,860 0.996,861 6.823,862 11.741,863 3.861,864 4.419,865 4.965,866 5.527,867 6.052,868 6.251,869 6.537,870 6.844,871 7.047,872 6.834,873 0.9,874 50,875 12.28,877 5.225,878 7.485,879 24.428,881 20.792,883 1.985,884 65.5,888 388.446,889 143.164,890 23.034,892 36.145,895 143.164,896 424.591,897 23.034,898 8.825,899 28.812,900 85.286,901 46.635,902 32.784,904 388.446,906 388.446,907 166.198,908 36.145,911 317.82,912 106.771,915 45.663,916 103.75,917 16.786,919 388.446,920 59.179,921 143.164,924 388.446,925 49.052,926 100.36,928 52.93,929 388.446,930 59.179,931 143.164,933 0.579,934 0.338,935 0.186,936 0.098,937 25,938 10,939 0.1,940 7,941 1,942 1.074,943 4.656,944 296.384,945 0.074,946 27,947 158.465,951 22.22,952 10.133,953 5.328,954 2.075,955 59.179,956 18.855,957 4.599,961 4.377,964 590.789,965 46.5,970 12.074,974 0.262,975 65.214,976 74.142,977 0.228,978 0.544,979 0.777,980 0.903,981 0.908,982 0.908,983 5.101,984 1.797,985 5.989,986 5.294,987 4.635,988 5.106,989 2.315,990 6.767,991 4.572,992 6.272,993 1.524,994 7.522,995 5.175,996 4.111,997 4.832,998 1.738,999 7.582,1000 4.011,1001 7.558,1002 1.25,1003 9.153,1004 3.817,1005 6.196,1006 7.246,1007 3.044,1008 10.674,1009 6.069,1010 8.877,1011 1.206,1012 10.844,1013 2.852,1014 6.509,1015 7.833,1016 3.144,1017 12.348,1018 6.34,1019 10.231,1020 1.133,1021 12.574,1022 2.704,1023 8.026,1024 9.726,1025 4.149,1026 14.936,1027 7.834,1028 11.609,1029 1,1030 14.332,1031 2.512,1032 8.74,1033 10.747,1034 4.541,1035 16.974,1036 8.506,1037 13.006,1038 0.865,1039 16.111,1040 2.275,1041 10.015,1042 12.415,1043 5.385,1044 19.389,1045 9.758,1046 3.054,1047 0.786,1048 17.906,1049 2.021,1050 10.927,1051 13.664,1052 5.912,1053 21.585,1054 10.63,1055 3.025,1056 10.248,1057 19.715,1058 1.996,1059 12.098,1060 15.229,1061 6.67,1062 23.936,1063 11.775,1064 2.709,1065 10.009,1066 21.534,1067 4.458,1068 13.107,1069 16.597,1070 7.263,1071 26.2,1072 12.747,1073 2.471,1074 7.814,1075 23.361,1076 3.767,1077 14.234,1078 18.116,1079 7.976,1080 28.529,1081 13.845,1082 2.338,1083 7.025,1084 25.196,1085 3.17,1086 15.292,1087 19.543,1088 8.602,1089 30.822,1090 14.866,1091 2.14,1092 6.712,1093 27.037,1094 3.124,1095 16.402,1096 21.043,1097 9.292,1098 33.143,1099 15.947,1100 1.893,1101 6.165,1102 28.882,1103 2.663,1104 17.484,1105 22.501,1106 9.936,1107 35.449,1108 16.993,1109 17868,1110 26166,1111 25.542,1112 43.347,1113 54.895,1114 56.057,1115 55.916,1116 54.884,1117 54.88,1118 68.561,1119 8.312,1120 154.473,1121 53.222,1122 5.516,1123 5.766,1124 6.097,1125 5.098,1126 5.054,1127 7.458,1128 3.348,1129 17.078,1130 4.968,1131 11.529,1132 1.484,1133 1.515,1134 1.511,1135 1.483,1136 1.483,1137 1.853,1138 0.225,1139 4.175,1140 1.438,1141 4.081,1142 4.108,1143 4.04,1144 4.002,1145 7.427,1146 4.008,1147 3.998,1148 4.036,1149 3.931,1150 3.913,1151 5.016,1152 3.911,1153 3.853,1154 3.913,1155 3.739,1156 3.702,1157 4.735,1158 3.701,1159 3.719,1160 3.767,1161 3.616,1162 3.583,1163 4.58,1164 3.583,1165 3.548,1166 3.594,1167 3.447,1168 3.43,1169 4.328,1170 3.426,1171 3.437,1172 3.501,1173 3.289,1174 3.275,1175 4.213,1176 3.271,1177 3.153,1178 3.219,1179 3.018,1180 2.99,1181 4.123,1182 2.985,1183 3.111,1184 3.206,1185 2.895,1186 2.941,1187 3.886,1188 2.913,1189 0.122,1190 0.102,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.766,1197 0.052,1198 6.517,1199 0.277,1200 4.026,1201 0.08,1202 3.054,1203 4.458,1204 1.94,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.121,1213 1.958,1214 1.924,1215 2.102,1216 2.071,1217 1.223,1218 2.086,1219 1.806,1220 1.752,1221 1.974,1222 1.962,1223 1.188,1224 1.968,1225 1.563,1226 1.503,1227 1.832,1228 1.744,1229 1.138,1230 1.776,1231 1.539,1232 1.494,1233 1.752,1234 1.716,1235 1.004,1236 1.727,1237 1.448,1238 1.386,1239 1.7,1240 1.639,1241 0.825,1242 1.659,1243 1.335,1244 1.283,1245 1.529,1246 1.576,1247 0.806,1248 1.567,1249 1.153,1250 1.068,1251 1.513,1252 1.376,1253 0.761,1254 1.429,1255 4.317,1257 5.631,1258 2.398,1259 7.136,1260 4.595,1261 8.73,1262 6.555,1263 10.368,1265 2.016,1271 9.933,1273 6.141,1275 0.707,1276 4.461,1280 40.396,1281 91.104,1282 217.077,1283 310.136,1284 360.175,1285 362.175,1286 362.175,1287 50.574,1288 8.301,1289 45.67,1290 45.67,1291 29,1292 12.634,1293 4.248,1294 3.392,1295 48.347,1296 184,1297 151,1298 0.126,1299 244.418,1300 425.28,1301 588.14,1302 60647,1304 22.623,1305 0.686,1306 0.591,1307 22.623,1308 19.503,1309 16.153,1310 0.437,1311 0.331,1312 12.144,1313 15.683,1314 11.853,1315 9.765,1316 16.153,1317 12.264,1318 14.451,1319 0.283,1320 0.185,1321 14.451,1322 9.432,1323 12.236,1324 0.183,1325 0.105,1326 12.236,1327 7.023,1328 10.395,1329 0.119,1330 0.059,1331 10.395,1332 5.159,1333 8.195,1334 0.078,1335 0.034,1336 8.195,1337 3.586,1338 0.209,1339 99.962,1340 0.198,1341 31.629,1342 0.32,1343 176,1344 424.406,1345 188.64,1346 411.615,1347 574.54,1348 390,1349 206,1350 428.542,1351 219.197,1352 433.565,1353 635.64,1354 411,1355 8.699} {0 CHEMBL496098,1 1.405,2 16.265,3 4.419,4 19.523,5 137.1,6 6.581,7 0.459,8 4.313,9 4.447,10 3.777,11 3.832,12 5.294,13 3.787,14 4.888,15 5.094,16 4.102,17 4.225,18 5.798,19 4.155,20 5.155,21 5.378,22 4.14,23 4.406,24 6.042,25 4.289,26 5.274,27 5.55,28 4.075,29 4.396,30 6.073,31 4.242,32 5.199,33 5.458,34 3.968,35 4.31,36 6.06,37 4.17,38 5.113,39 5.379,40 3.926,41 4.265,42 5.886,43 4.115,44 5.075,45 5.331,46 3.865,47 4.237,48 5.861,49 4.085,50 5.073,51 5.347,52 3.824,53 4.224,54 5.806,55 4.059,56 0.061,57 1.008,58 16.389,59 6.593,60 9.723,61 9.395,62 0.306,63 1.632,64 30.393,65 10.504,66 27.056,67 15.567,68 0.486,69 1.998,70 40.014,71 14.35,72 44.945,73 20.806,74 0.366,75 2.059,76 45.036,77 16.689,78 47.417,79 24.397,80 0.491,81 1.9,82 42.557,83 14.478,84 61.001,85 20.989,86 0.306,87 1.806,88 38.277,89 13.921,90 37.445,91 20.498,92 0.369,93 1.772,94 36.972,95 13.064,96 39.862,97 19.295,98 0.318,99 1.736,100 36.688,101 13.515,102 30.945,103 19.939,104 21,105 50,106 0.221,107 0.536,108 0.769,109 0.845,110 0.85,111 0.85,112 3.56,113 0.99,114 -3.98,115 -3.94,116 -3.73,119 40,120 1,121 3,122 1,124 2,125 5,140 9,141 2,142 2,144 2,156 1,169 12,172 8,174 1,176 2,178 15,181 2,182 5,184 1,186 2,189 11,192 1,193 6,197 2,199 11,203 9,208 1,211 5,215 10,220 2,222 3,225 1,226 7,233 4,237 5,240 1,244 6,249 7,256 8,259 2148,260 22.894,261 22.894,262 22.894,263 22.894,264 22.894,265 20.704,266 27.643,267 13.764,268 23.343,269 18.331,270 18.331,271 18.331,272 18.331,273 18.331,274 15.026,275 32,276 6.615,277 19.027,278 4.725,279 2.715,280 1.233,281 0.747,282 0.718,283 0.718,284 4.258,289 1,290 1187,291 4,295 456.307,299 178.004,302 2.661,303 21.651,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 72,315 553,316 4.516,317 3.618,318 6.517,319 4.026,320 3.054,321 4.458,322 1.959,323 10.248,324 2.968,325 4.11,326 3.185,327 5.72,328 3.779,329 2.793,330 3.689,331 0.86,332 8.115,333 2.756,334 3.744,335 2.942,336 5.493,337 3.596,338 2.632,339 3.17,340 0.815,341 7.412,342 2.543,343 3.716,344 2.803,345 5.327,346 3.41,347 2.445,348 2.927,349 0.8,350 6.832,351 2.359,352 3.609,353 2.602,354 5.28,355 3.289,356 2.34,357 2.668,358 0.163,359 6.703,360 2.219,361 3.34,362 2.477,363 5.058,364 3.157,365 2.205,366 2.625,368 6.163,369 2.091,370 3.289,371 2.367,372 4.814,373 2.896,374 1.938,375 2.471,377 5.348,378 1.848,379 3.062,380 2.155,381 4.769,382 2.838,383 1.879,384 2.219,386 5.286,387 1.795,388 2.989,389 1.981,390 4.2,391 2.629,392 1.64,393 2.099,395 4.026,396 1.603,397 2.91,398 1.598,399 4.196,400 2.512,401 1.523,402 1.92,404 3.817,405 1.504,406 2.653,407 1.462,408 3.528,409 2.193,410 1.233,411 1.716,413 2.72,414 1.188,415 2.49,416 1.246,417 3.488,418 2.147,419 1.177,420 1.487,422 2.604,423 1.125,424 2.136,425 1.077,426 3.414,427 1.984,428 1,429 1.08,431 2.275,432 0.983,433 2,434 0.963,435 3.312,436 1.835,437 0.865,438 1,440 1.999,441 0.836,442 1.384,443 0.696,444 2.952,445 1.209,446 0.25,447 0.273,449 0.62,450 0.238,451 16.267,452 0.478,453 0.8,454 0.024,455 40.25,456 1.184,457 18.5,458 0.544,459 21.75,460 0.64,461 32.659,462 0.961,463 37.733,464 0.539,465 30.071,466 0.884,467 7.862,468 0.231,469 8.595,470 0.253,471 0.113,473 0.295,479 0.818,480 1.461,481 0.907,482 1.219,483 0.633,484 1.092,485 1.143,486 1.071,487 0.983,488 0.948,489 0.619,490 0.935,491 1.168,492 1.051,493 1.164,494 1.099,495 1.099,496 1.125,497 0.765,498 1.008,499 0.861,500 1.023,501 0.63,502 0.966,503 1.592,504 0.93,505 1.123,506 0.945,507 1.774,508 0.985,509 0.928,510 1.071,511 0.971,512 1.04,513 0.76,514 1.018,515 1.108,516 1.065,517 1.133,518 1.072,519 1.052,520 1.101,521 0.79,522 0.961,523 0.991,524 1.012,525 0.76,526 1.02,527 7.5,528 0.21,529 2.667,530 2.125,531 1.351,532 0.819,533 0.645,534 0.424,535 0.274,536 0.211,537 20235,538 44648,539 2.077,540 51.4,541 3,542 25,545 1,546 3,547 4,550 1.752,551 1.962,552 3.942,553 -0.421,559 98.327,560 1.405,561 3.415,562 4.896,563 5.383,564 5.411,565 5.411,566 3.385,567 4.396,568 5.059,569 4.169,570 2339.02,571 8.825,572 39484.5,577 429.05,578 1.333,579 5.026,580 0.203,581 0.008,582 0.053,583 0.043,584 0.03,585 0.02,586 0.017,587 0.012,588 0.008,589 0.007,590 0.401,591 0.5,592 0.88,593 1.111,594 188.818,595 0.017,596 -0.214,597 0.067,598 -0.081,599 -0.005,600 -0.015,601 -0.041,602 0.078,603 0.026,604 0.071,605 0.087,606 0.061,607 -0.029,608 0.023,609 -0.162,610 -0.085,611 -0.07,612 -0.13,613 0.106,614 -0.07,615 0.109,616 -0.025,617 0.169,618 0.033,619 -0.198,620 0.032,621 -0.102,622 0.024,623 -0.202,624 -0.022,625 -0.027,626 -0.098,627 0.004,628 -0.043,629 -0.008,630 -0.021,631 -0.109,632 -0.054,633 -0.146,634 -0.085,635 -0.154,636 -0.116,637 -0.013,638 0.015,639 -0.027,640 -0.019,641 -0.041,642 -0.023,643 1.646,644 5.043,645 0.647,646 44.304,647 0.989,648 1.129,649 2.753,650 7.578,651 0.644,652 3.638,653 3.932,654 4.127,655 4.382,656 4.575,657 4.595,658 4.654,659 4.771,660 4.812,661 4.86,662 9.472,663 0.599,664 460.68,665 3.638,666 5.165,667 5.984,668 6.843,669 7.676,670 8.538,671 9.377,672 10.24,673 11.083,674 11.948,675 5.7,678 2,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 70,716 18,717 2,718 37,720 73,721 28,722 15,723 5,724 7,730 4,731 5,736 1,740 2,741 1,743 3,745 16,746 12,747 1,750 1,755 1,759 1,764 36,765 6,766 1,767 6,773 4,777 0.75,778 2,786 1,793 4,797 1,805 1,815 2,819 3,823 3,827 34,833 8,834 1,835 1,837 1,838 2,847 2.9,850 1,852 1,854 17.333,855 13.267,856 7.472,857 4.289,858 3.364,859 1.416,860 0.967,861 8.416,862 11.452,863 3.861,864 4.407,865 4.907,866 5.48,867 6.003,868 6.196,869 6.459,870 6.782,871 6.987,872 6.758,873 0.909,874 49,875 12.612,877 5.203,878 7.529,879 24.842,881 20.343,883 2.029,884 69,888 411.989,889 154.887,890 41.045,892 36.145,895 154.887,896 448.133,897 41.045,898 25.618,899 38.63,900 85.286,901 46.635,902 35.908,904 411.989,906 411.989,907 195.932,908 36.145,911 364.904,912 83.229,915 58.604,916 120.542,917 16.786,919 411.989,920 77.19,921 154.887,924 411.989,925 43.983,926 117.153,927 18.011,928 52.93,929 411.989,930 77.19,931 154.887,933 0.574,934 0.313,935 0.173,936 0.092,937 22,938 10,939 0.123,940 9,941 1,942 1.091,943 4.692,944 294.752,945 0.091,946 22,947 164.974,951 24.5,952 11.679,953 7.186,954 2.062,955 77.19,956 18.504,957 4.595,961 4.118,963 18.011,964 644.066,965 46.5,970 12.043,974 0.021,975 69.199,976 79.055,977 0.229,978 0.557,979 0.799,980 0.878,981 0.883,982 0.883,983 5.089,984 1.879,985 5.948,986 5.348,987 4.615,988 5.094,989 2.397,990 6.688,991 4.548,992 6.26,993 1.64,994 7.458,995 5.286,996 4.111,997 4.832,998 1.738,999 7.413,1000 4.011,1001 7.538,1002 1.523,1003 9.059,1004 4.026,1005 6.142,1006 7.221,1007 3.128,1008 10.473,1009 6.013,1010 8.845,1011 1.233,1012 10.714,1013 3.817,1014 6.399,1015 7.788,1016 3.149,1017 12.031,1018 6.242,1019 10.183,1020 1.177,1021 12.406,1022 2.72,1023 7.909,1024 9.689,1025 4.238,1026 14.605,1027 7.728,1028 11.545,1029 1,1030 14.124,1031 2.604,1032 8.553,1033 10.696,1034 4.575,1035 16.564,1036 8.347,1037 12.927,1038 0.865,1039 15.864,1040 2.275,1041 9.827,1042 12.374,1043 5.485,1044 18.964,1045 9.598,1046 3.054,1047 0.25,1048 17.62,1049 1.999,1050 10.679,1051 13.619,1052 5.976,1053 21.118,1054 10.426,1055 2.793,1056 10.248,1057 19.392,1058 0.62,1059 11.842,1060 15.192,1061 6.782,1062 23.459,1063 11.567,1064 2.632,1065 8.115,1066 21.177,1067 4.458,1068 12.807,1069 16.56,1070 7.354,1071 25.705,1072 12.507,1073 2.445,1074 7.412,1075 22.974,1076 3.689,1077 13.922,1078 18.084,1079 8.101,1080 28.029,1081 13.599,1082 2.34,1083 6.832,1084 24.78,1085 3.17,1086 14.946,1087 19.514,1088 8.717,1089 30.317,1090 14.598,1091 2.205,1092 6.703,1093 26.596,1094 2.927,1095 16.043,1096 21.018,1097 9.432,1098 32.638,1099 15.671,1100 1.938,1101 6.163,1102 28.42,1103 2.668,1104 17.1,1105 22.479,1106 10.073,1107 34.945,1108 16.702,1109 19250,1110 28709,1111 24.849,1112 45.114,1113 54.196,1114 55.174,1115 55.106,1116 53.976,1117 53.954,1118 67.603,1119 9.194,1120 148.336,1121 52.11,1122 5.516,1123 5.618,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 3.43,1129 17.078,1130 4.968,1131 16.817,1132 1.465,1133 1.491,1134 1.489,1135 1.459,1136 1.458,1137 1.827,1138 0.248,1139 4.009,1140 1.408,1141 4.079,1142 4.106,1143 4.039,1144 4.001,1145 7.429,1146 4.007,1147 3.978,1148 4.018,1149 3.904,1150 3.899,1151 5.016,1152 3.895,1153 3.824,1154 3.881,1155 3.714,1156 3.684,1157 4.747,1158 3.681,1159 3.675,1160 3.747,1161 3.566,1162 3.446,1163 4.58,1164 3.466,1165 3.549,1166 3.596,1167 3.448,1168 3.43,1169 4.329,1170 3.426,1171 3.444,1172 3.509,1173 3.297,1174 3.277,1175 4.292,1176 3.274,1177 3.298,1178 3.365,1179 3.162,1180 3.048,1181 4.213,1182 3.062,1183 3.141,1184 3.206,1185 3.007,1186 2.969,1187 3.933,1188 2.967,1189 0.122,1190 0.098,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.618,1197 0.053,1198 6.517,1199 0.277,1200 4.026,1201 0.08,1202 3.054,1203 4.458,1204 1.959,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.121,1213 1.957,1214 1.923,1215 2.102,1216 2.073,1217 1.222,1218 2.087,1219 1.805,1220 1.751,1221 1.975,1222 1.971,1223 1.147,1224 1.974,1225 1.605,1226 1.533,1227 1.849,1228 1.86,1229 1.01,1230 1.863,1231 1.538,1232 1.493,1233 1.752,1234 1.711,1235 0.977,1236 1.725,1237 1.439,1238 1.374,1239 1.699,1240 1.626,1241 0.825,1242 1.654,1243 1.229,1244 1.159,1245 1.513,1246 1.51,1247 0.805,1248 1.504,1249 1.153,1250 1.065,1251 1.492,1252 1.376,1253 0.7,1254 1.429,1255 4.317,1257 5.617,1259 7.098,1261 8.666,1263 10.282,1265 5.81,1271 7.659,1272 3.002,1273 6.134,1275 0.678,1276 4.375,1280 41.944,1281 98.327,1282 239.025,1283 342.746,1284 376.785,1285 378.785,1286 378.785,1287 58.477,1288 8.088,1289 57.7,1290 57.7,1291 24,1292 12.499,1293 4.248,1294 3.392,1295 57.47,1296 200,1297 170,1298 0.139,1299 258.606,1300 448.64,1301 622.757,1302 46599,1304 23.916,1305 0.703,1306 0.606,1307 23.916,1308 20.588,1309 16.458,1310 0.445,1311 0.33,1312 12.06,1313 15.899,1314 11.645,1315 9.719,1316 16.458,1317 12.211,1318 14.956,1319 0.299,1320 0.192,1321 14.956,1322 9.599,1323 11.38,1324 0.187,1325 0.105,1326 11.38,1327 6.398,1328 9.886,1329 0.125,1330 0.059,1331 9.886,1332 4.65,1333 7.629,1334 0.079,1335 0.034,1336 7.629,1337 3.277,1338 0.23,1339 102.441,1340 0.201,1341 32.567,1342 0.35,1343 174,1344 436.739,1345 187.362,1346 424.891,1347 581.78,1348 400,1349 198,1350 422.682,1351 211.78,1352 433.654,1353 625.05,1354 405,1355 9} {0 CHEMBL496317,1 1.591,2 13.323,3 3.532,4 12.475,5 117.77,6 7.509,7 0.486,8 4.139,9 4.257,10 3.722,11 3.671,12 5.205,13 3.661,14 4.712,15 4.89,16 4.104,17 4.077,18 5.759,19 4.053,20 4.983,21 5.188,22 4.185,23 4.254,24 6.04,25 4.197,26 5.04,27 5.269,28 4.056,29 4.266,30 6.005,31 4.154,32 5.059,33 5.324,34 3.968,35 4.212,36 5.955,37 4.081,38 4.974,39 5.232,40 3.861,41 4.092,42 5.889,43 3.972,44 4.864,45 5.12,46 3.744,47 3.947,48 5.922,49 3.831,50 4.719,51 4.98,52 3.578,53 3.824,54 5.624,55 3.697,56 0.034,57 0.907,58 11.29,59 5.115,60 5.986,61 6.586,62 0.264,63 1.497,64 22.792,65 8.34,66 23.077,67 11.208,68 0.572,69 1.889,70 31.791,71 11.079,72 54.27,73 14.844,74 0.488,75 1.936,76 34.552,77 13.418,78 55.633,79 18.143,80 0.498,81 1.918,82 36.881,83 13.326,84 55.073,85 18.988,86 0.437,87 1.768,88 33.966,89 11.9,90 52.921,91 16.385,92 0.647,93 1.589,94 31.033,95 10.286,96 89.967,97 14.006,98 0.469,99 1.349,100 26.696,101 9.032,102 50.205,103 12.603,104 10,105 50,106 0.26,107 0.592,108 0.758,109 0.859,110 0.859,111 0.859,112 3.472,113 0.913,114 -3.81,115 -3.77,116 -3.58,119 42.9,120 1,121 1,125 6,140 7,141 2,142 4,144 2,156 1,169 6,172 8,174 1,176 1,178 7,181 2,182 6,184 1,186 2,189 6,192 1,193 6,197 1,199 5,203 7,211 2,215 5,218 1,222 1,225 2,226 3,233 2,236 1,237 1,244 4,249 2,252 1,256 6,259 1534,260 21.118,261 21.118,262 21.118,263 21.118,264 21.118,265 18.9,266 27.233,267 12.28,268 21.596,269 17.291,270 17.291,271 17.291,272 17.291,273 17.291,274 13.841,275 37.084,276 5.866,277 18.083,278 4.217,279 2.186,280 1.172,281 0.549,282 0.549,283 0.549,284 4.184,288 1,289 1,290 923,291 2.739,295 429.038,299 287.16,302 2.033,303 31.888,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 413,316 4.551,317 3.657,318 6.695,319 4.108,320 3.139,321 4.474,322 2.03,323 10.856,324 3.046,325 4.396,326 3.283,327 6.329,328 4.003,329 3.042,330 4.071,331 0.892,332 9.708,333 2.917,334 3.861,335 3.257,336 5.83,337 3.594,338 2.656,339 3.249,340 0.8,341 8.016,342 2.491,343 3.834,344 2.884,345 5.805,346 3.505,347 2.548,348 3.17,349 0.8,350 7.922,351 2.429,352 3.532,353 2.782,354 5.32,355 3.294,356 2.356,357 2.735,358 0.141,359 6.861,360 2.212,361 3.441,362 2.634,363 4.966,364 3.068,365 2.07,366 2.652,368 5.814,369 2.051,370 3.327,371 2.261,372 4.958,373 2.992,374 2.027,375 2.485,377 5.729,378 1.944,379 3.069,380 2.158,381 4.622,382 2.68,383 1.736,384 2.264,386 4.886,387 1.626,388 3.025,389 1.834,390 4.558,391 2.574,392 1.599,393 2.228,395 4.494,396 1.558,397 2.777,398 1.644,399 4.039,400 2.403,401 1.424,402 1.845,404 3.475,405 1.389,406 2.299,407 1.473,408 3.867,409 2.076,410 1.173,411 1.266,413 2.988,414 1.046,415 2.21,416 1.193,417 3.414,418 1.967,419 1,420 1.135,422 2.275,423 0.965,424 2,425 1.146,426 3.371,427 1.814,428 0.843,429 1,431 2.017,432 0.815,433 1.74,434 0.903,435 3.209,436 1.549,437 0.596,438 0.665,440 1.462,441 0.565,442 1.396,443 0.699,444 2.722,445 1.032,446 0.101,447 0.118,449 0.238,450 0.091,451 14.552,452 0.469,453 0.78,454 0.025,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 26.867,462 0.867,463 33.448,464 0.597,465 29.545,466 0.953,467 7.916,468 0.255,469 7.148,470 0.231,471 0.077,473 0.364,477 1,479 0.69,480 1.255,481 0.74,482 1.118,483 0.523,484 0.97,485 0.899,486 1.076,487 0.853,488 0.946,489 0.546,490 0.889,491 1.007,492 0.968,493 1.052,494 0.946,495 0.894,496 0.983,497 0.754,498 1.101,499 1.036,500 1.166,501 0.776,502 1.163,503 0.632,504 0.919,505 0.915,506 1.017,507 0.724,508 1.022,509 0.965,510 1.072,511 1.051,512 1.063,513 1,514 1.07,515 1.087,516 1.067,517 1.139,518 1.02,519 1.145,520 1.074,521 0.96,522 0.962,523 1.085,524 1.014,525 1.088,526 1.061,527 6.5,528 0.161,529 3.778,530 1.813,531 2.107,532 0.91,533 0.704,534 0.391,535 0.225,536 0.184,537 15197,538 39768,539 2.16,540 44.6,542 19,545 1,546 3,547 2,550 1.73,551 2.044,552 3.672,553 -0.361,555 1,559 89.076,560 1.591,561 3.622,562 4.635,563 5.258,564 5.258,565 5.258,566 3.079,567 4.736,568 4.93,569 3.864,570 1796.96,571 8.572,572 26504.7,574 1,576 1,577 325.212,578 1.332,579 4.896,580 0.186,581 0.006,582 0.076,583 0.035,584 0.048,585 0.023,586 0.02,587 0.013,588 0.009,589 0.007,590 0.422,591 0.5,592 0.88,593 0.486,594 163.638,595 -0.026,596 -0.182,597 0.066,598 -0.072,599 -0.017,600 -0.002,601 -0.051,602 -0.057,603 0.046,604 0.028,605 0.046,606 0.054,607 -0.04,608 0.056,609 -0.107,610 0.016,611 -0.016,612 -0.04,613 0.061,614 -0.098,615 -0.091,616 -0.147,617 0.024,618 -0.151,619 0.091,620 0.01,621 0.056,622 -0.024,623 0.029,624 0.001,625 -0.058,626 -0.083,627 -0.057,628 -0.083,629 -0.079,630 -0.073,631 0.026,632 -0.004,633 -0.113,634 -0.054,635 0.042,636 -0.1,637 0.003,638 0.042,639 -0.078,640 -0.04,641 -0.083,642 -0.069,643 1.952,644 6.464,645 0.839,646 31.403,647 1.005,648 1.131,649 2.582,650 6.664,651 0.665,652 3.584,653 3.932,654 4.22,655 4.5,656 4.796,657 4.844,658 4.949,659 5.063,660 5.165,661 5.153,662 7.834,663 0.637,664 420.53,665 3.584,666 5.142,667 6.004,668 6.891,669 7.768,670 8.656,671 9.538,672 10.427,673 11.311,674 12.2,675 7.1,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 56,716 18,717 2,718 35,720 60,721 24,722 15,723 7,724 5,730 5,731 7,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,762 1,764 25,765 7,766 1,767 7,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 31,833 7,834 1,835 1,838 2,846 1,847 3.6,850 1,852 1,854 15.167,855 10.41,856 6.639,857 3.477,858 3.501,859 1.418,860 1.022,861 5.512,862 11.877,863 3.818,864 4.431,865 5.006,866 5.592,867 6.181,868 6.424,869 6.72,870 7.025,871 7.29,872 7.141,873 0.889,874 52,875 11.541,877 5.038,878 7.742,879 22.234,881 18.82,883 2.242,884 69.5,886 1,887 1,888 282.506,889 128.056,890 41.045,892 36.145,893 14.96,895 128.056,896 318.651,897 56.005,898 8.825,899 35.666,900 66.334,901 46.635,902 47.786,903 14.96,904 282.506,906 282.506,907 169.101,908 51.105,911 273.924,912 59.687,915 52.517,916 99.799,917 16.786,919 297.467,920 77.19,921 128.056,924 282.506,925 52.897,926 81.408,927 18.011,928 67.89,929 282.506,930 92.15,931 128.056,933 0.589,934 0.345,935 0.188,936 0.111,937 26,938 11,939 0.067,940 4,941 2,942 1.154,943 4.341,944 284.738,945 0.154,946 26,947 147.58,951 20.228,952 8.447,953 4.231,954 2.209,955 92.15,956 13.569,957 4.645,961 3.511,963 18.011,964 502.713,965 44.5,970 11.527,974 -0.208,975 56.294,976 63.319,977 0.274,978 0.624,979 0.798,980 0.905,981 0.905,982 0.905,983 5.077,984 1.736,985 5.994,986 5.729,987 4.615,988 5.118,989 2.452,990 6.808,991 4.528,992 6.279,993 1.599,994 7.553,995 4.886,996 4.205,997 4.987,998 1.738,999 7.687,1000 4.075,1001 7.591,1002 1.424,1003 9.208,1004 4.494,1005 6.217,1006 7.325,1007 3.301,1008 10.784,1009 6.048,1010 8.934,1011 1.173,1012 10.919,1013 3.475,1014 6.594,1015 8.009,1016 3.226,1017 12.485,1018 6.383,1019 10.308,1020 1,1021 12.666,1022 2.988,1023 8.083,1024 9.856,1025 4.5,1026 15.103,1027 7.837,1028 11.705,1029 0.843,1030 14.438,1031 2.275,1032 8.84,1033 10.939,1034 4.754,1035 17.165,1036 8.554,1037 13.12,1038 0.596,1039 16.23,1040 2.017,1041 10.109,1042 12.581,1043 5.815,1044 19.614,1045 9.792,1046 3.139,1047 0.101,1048 18.037,1049 1.462,1050 11.055,1051 13.865,1052 6.249,1053 21.84,1054 10.701,1055 3.042,1056 10.856,1057 19.856,1058 0.238,1059 12.232,1060 15.415,1061 7.175,1062 24.229,1063 11.847,1064 2.656,1065 9.708,1066 21.684,1067 4.474,1068 13.269,1069 16.8,1070 7.714,1071 26.53,1072 12.851,1073 2.548,1074 8.016,1075 23.522,1076 4.071,1077 14.41,1078 18.31,1079 8.557,1080 28.9,1081 13.961,1082 2.356,1083 7.922,1084 25.366,1085 3.249,1086 15.492,1087 19.744,1088 9.16,1089 31.236,1090 15.012,1091 2.07,1092 6.861,1093 27.216,1094 3.17,1095 16.62,1096 21.237,1097 9.952,1098 33.603,1099 16.11,1100 2.027,1101 5.814,1102 29.072,1103 2.735,1104 17.725,1105 22.697,1106 10.594,1107 35.956,1108 17.183,1109 13919,1110 22717,1111 23.868,1112 37.245,1113 52.771,1114 54.313,1115 53.968,1116 52.605,1117 52.617,1118 66.711,1119 9.327,1120 153.478,1121 50.291,1122 5.551,1123 5.657,1124 6.214,1125 5.216,1126 5.139,1127 7.474,1128 3.634,1129 18.031,1130 5.046,1131 13.178,1132 1.508,1133 1.552,1134 1.542,1135 1.503,1136 1.503,1137 1.906,1138 0.266,1139 4.385,1140 1.437,1141 4.096,1142 4.129,1143 4.054,1144 4.015,1145 8.201,1146 4.021,1147 3.986,1148 4.01,1149 3.949,1150 3.886,1151 7.429,1152 3.896,1153 3.79,1154 3.858,1155 3.683,1156 3.599,1157 4.983,1158 3.61,1159 3.561,1160 3.604,1161 3.484,1162 3.418,1163 4.79,1164 3.415,1165 3.501,1166 3.547,1167 3.403,1168 3.33,1169 4.443,1170 3.352,1171 3.286,1172 3.351,1173 3.153,1174 3.109,1175 4.307,1176 3.111,1177 3.111,1178 3.206,1179 2.939,1180 2.948,1181 4.186,1182 2.934,1183 3.084,1184 3.159,1185 2.866,1186 2.941,1187 3.954,1188 2.91,1189 0.13,1190 0.104,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.657,1197 0.058,1198 6.695,1199 0.31,1200 4.108,1201 0.087,1202 3.139,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.127,1210 2.147,1211 1.358,1212 2.144,1213 1.931,1214 1.909,1215 2.03,1216 2.061,1217 1.238,1218 2.049,1219 1.744,1220 1.676,1221 1.929,1222 1.956,1223 1.147,1224 1.952,1225 1.528,1226 1.481,1227 1.736,1228 1.715,1229 0.902,1230 1.714,1231 1.459,1232 1.417,1233 1.673,1234 1.647,1235 0.825,1236 1.664,1237 1.258,1238 1.199,1239 1.513,1240 1.474,1241 0.805,1242 1.484,1243 1.153,1244 1.064,1245 1.494,1246 1.376,1247 0.682,1248 1.429,1249 1.11,1250 1.037,1251 1.424,1252 1.303,1253 0.48,1254 1.349,1255 4.263,1257 5.602,1259 7.143,1261 8.776,1263 10.457,1265 2.011,1267 14.464,1271 4.973,1272 2.751,1273 5.284,1276 4.764,1280 35.693,1281 89.076,1282 202.812,1283 259.586,1284 294.457,1285 294.457,1286 294.457,1287 51.921,1288 8.376,1289 57.7,1290 57.7,1291 30,1292 12.731,1293 4.248,1294 3.392,1295 43.998,1296 150,1297 127,1298 0.143,1299 214.041,1300 373.15,1301 514.02,1302 61061,1303 1.8,1304 21.372,1305 0.689,1306 0.565,1307 20.501,1308 17.527,1309 15.064,1310 0.43,1311 0.304,1312 10.49,1313 14.422,1314 10.263,1315 8.407,1316 14.653,1317 10.654,1318 13.942,1319 0.279,1320 0.163,1321 13.413,1322 8.152,1323 11.895,1324 0.178,1325 0.09,1326 11.43,1327 6.04,1328 10.042,1329 0.113,1330 0.049,1331 9.697,1332 4.345,1333 8.779,1334 0.073,1335 0.027,1336 8.473,1337 3.22,1338 0.231,1339 94.738,1340 0.205,1341 29.558,1342 0.373,1343 170,1344 522.85,1345 188.192,1346 476.368,1347 650.14,1348 448,1349 202,1350 477.424,1351 220.908,1352 475.656,1353 700.68,1354 449,1355 9.6} {0 CHEMBL496520,1 1.591,2 13.323,3 3.532,4 12.475,5 117.77,6 7.509,7 0.486,8 4.139,9 4.257,10 3.722,11 3.671,12 5.205,13 3.661,14 4.712,15 4.89,16 4.104,17 4.077,18 5.75,19 4.053,20 4.984,21 5.188,22 4.209,23 4.254,24 6.063,25 4.199,26 5.047,27 5.273,28 4.083,29 4.265,30 6.052,31 4.161,32 5.063,33 5.326,34 3.975,35 4.212,36 6.052,37 4.083,38 4.967,39 5.228,40 3.826,41 4.093,42 5.843,43 3.963,44 4.859,45 5.117,46 3.696,47 3.948,48 5.781,49 3.825,50 4.719,51 4.98,52 3.578,53 3.824,54 5.624,55 3.697,56 0.034,57 0.907,58 11.29,59 5.115,60 6.071,61 6.586,62 0.264,63 1.497,64 22.792,65 8.34,66 21.4,67 11.208,68 0.607,69 1.917,70 31.791,71 11.064,72 54.682,73 14.936,74 0.514,75 2.007,76 34.933,77 13.457,78 59.745,79 17.874,80 0.587,81 1.917,82 37.174,83 13.355,84 84.459,85 18.867,86 0.411,87 1.698,88 33.586,89 11.861,90 50.487,91 16.654,92 0.523,93 1.562,94 30.74,95 10.272,96 60.084,97 14.034,98 0.469,99 1.349,100 26.696,101 9.032,102 50.205,103 12.603,104 10,105 50,106 0.26,107 0.592,108 0.758,109 0.859,110 0.859,111 0.859,112 3.472,113 0.914,114 -3.81,115 -3.77,116 -3.58,119 42.9,120 1,121 1,125 6,140 7,141 2,142 4,144 2,156 1,169 7,172 8,174 1,178 7,181 2,182 6,184 1,186 2,189 5,192 1,193 5,197 2,199 5,203 7,211 2,215 6,218 1,222 1,225 2,226 3,233 2,236 1,237 1,244 4,249 2,252 1,256 6,259 1522,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.924,266 25.562,267 12.287,268 21.634,269 17.264,270 17.264,271 17.264,272 17.264,273 17.264,274 13.814,275 32.108,276 5.834,277 18.045,278 4.217,279 2.186,280 1.172,281 0.549,282 0.549,283 0.549,284 4.184,288 1,289 1,290 923,291 2.739,295 428.197,299 286.525,302 2.033,303 32.244,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 413,316 4.551,317 3.68,318 6.695,319 4.109,320 3.14,321 4.474,322 2.03,323 10.856,324 3.046,325 4.475,326 3.328,327 6.638,328 4.082,329 3.127,330 4.159,331 0.892,332 10.559,333 2.98,334 3.857,335 3.278,336 5.808,337 3.589,338 2.652,339 3.249,340 0.8,341 8.004,342 2.482,343 3.752,344 2.884,345 5.695,346 3.444,347 2.48,348 3.039,349 0.8,350 7.577,351 2.388,352 3.53,353 2.72,354 5.318,355 3.285,356 2.341,357 2.734,358 0.141,359 6.841,360 2.209,361 3.437,362 2.625,363 4.962,364 3.064,365 2.071,366 2.662,368 5.8,369 2.041,370 3.324,371 2.263,372 4.959,373 2.988,374 2.027,375 2.483,377 5.732,378 1.938,379 3.069,380 2.135,381 4.705,382 2.682,383 1.736,384 2.265,386 4.837,387 1.626,388 3.024,389 1.658,390 4.558,391 2.572,392 1.595,393 2.23,395 4.487,396 1.557,397 2.775,398 1.635,399 4.037,400 2.398,401 1.418,402 1.842,404 3.467,405 1.386,406 2.264,407 1.476,408 3.614,409 1.967,410 1,411 1.181,413 2.275,414 0.965,415 2.069,416 1.259,417 3.414,418 1.881,419 0.919,420 1.016,422 2.238,423 0.88,424 2,425 1.146,426 3.381,427 1.795,428 0.902,429 1,431 2.105,432 0.795,433 1.892,434 0.922,435 3.303,436 1.71,437 0.748,438 0.85,440 1.817,441 0.715,442 1.392,443 0.816,444 2.816,445 1.069,446 0.143,447 0.162,449 0.345,450 0.129,451 14.552,452 0.469,453 0.763,454 0.025,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 26.923,462 0.868,463 33.448,464 0.597,465 29.623,466 0.956,467 7.931,468 0.256,469 7.15,470 0.231,471 0.077,473 0.364,477 1,479 0.69,480 1.255,481 0.74,482 1.118,483 0.522,484 0.97,485 0.899,486 1.076,487 0.853,488 0.946,489 0.563,490 0.889,491 0.935,492 0.955,493 1.006,494 0.948,495 0.846,496 0.972,497 0.891,498 1.18,499 1.059,500 1.169,501 0.954,502 1.156,503 0.658,504 0.954,505 0.937,506 1.017,507 0.698,508 1.027,509 0.818,510 0.988,511 1.027,512 1.059,513 0.797,514 1.078,515 1.135,516 1.038,517 1.162,518 1.019,519 1.232,520 1.081,521 0.96,522 0.962,523 1.085,524 1.014,525 1.088,526 1.061,527 6,528 0.161,529 4,530 1.938,531 2.067,532 0.944,533 0.623,534 0.391,535 0.225,536 0.184,537 15169,538 39528,539 2.16,540 44.6,542 19,545 1,546 3,547 2,550 1.73,551 2.044,552 3.668,553 -0.361,555 1,559 89.076,560 1.591,561 3.622,562 4.635,563 5.258,564 5.258,565 5.258,566 3.079,567 4.672,568 4.93,569 3.862,570 1795.76,571 8.571,572 26448.9,574 1,576 1,577 325.212,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.046,585 0.024,586 0.018,587 0.013,588 0.009,589 0.007,590 0.412,591 0.5,592 0.88,593 0.486,594 163.584,595 -0.026,596 -0.182,597 0.066,598 -0.072,599 -0.016,600 -0.002,601 -0.051,602 -0.057,603 0.046,604 0.028,605 0.028,606 0.054,607 0.033,608 0.069,609 -0.06,610 0.014,611 0.033,612 -0.028,613 0.04,614 -0.106,615 -0.097,616 -0.148,617 0.007,618 -0.151,619 0.122,620 0.01,621 0.041,622 -0.022,623 0.136,624 -0.007,625 -0.035,626 -0.075,627 -0.05,628 -0.083,629 -0.049,630 -0.072,631 -0.094,632 -0.018,633 -0.147,634 -0.055,635 -0.147,636 -0.102,637 0.003,638 0.042,639 -0.078,640 -0.04,641 -0.083,642 -0.069,643 2.053,644 6.815,645 0.839,646 31.126,647 1.005,648 1.131,649 2.582,650 6.664,651 0.665,652 3.584,653 3.932,654 4.234,655 4.511,656 4.796,657 4.836,658 4.934,659 5.056,660 5.17,661 5.159,662 7.826,663 0.637,664 420.53,665 3.584,666 5.142,667 6.009,668 6.897,669 7.778,670 8.668,671 9.553,672 10.444,673 11.332,674 12.223,675 7.1,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 56,716 18,717 2,718 35,720 60,721 24,722 15,723 7,724 5,730 5,731 7,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,762 1,764 25,765 7,766 1,767 7,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 31,833 7,834 1,835 1,838 2,846 1,847 3.6,850 1,852 1,854 15.167,855 10.41,856 6.667,857 3.484,858 3.501,859 1.418,860 1.022,861 5.512,862 11.877,863 3.818,864 4.431,865 5.016,866 5.598,867 6.177,868 6.415,869 6.707,870 7.026,871 7.303,872 7.147,873 0.889,874 53,875 11.555,877 5.058,878 7.742,879 22.234,881 18.825,883 2.242,884 69.5,886 1,887 1,888 282.506,889 128.056,890 41.045,892 36.145,893 14.96,895 128.056,896 318.651,897 56.005,898 8.825,899 35.666,900 66.334,901 46.635,902 47.786,903 14.96,904 282.506,906 282.506,907 169.101,908 51.105,911 273.924,912 59.687,915 52.517,916 99.799,917 16.786,919 297.467,920 77.19,921 128.056,924 282.506,925 52.897,926 81.408,927 18.011,928 67.89,929 282.506,930 92.15,931 128.056,933 0.589,934 0.35,935 0.191,936 0.111,937 26,938 11,939 0.067,940 4,941 2,942 1.154,943 4.33,944 285.492,945 0.154,946 26,947 147.58,951 20.228,952 8.447,953 4.102,954 2.209,955 92.15,956 13.992,957 4.645,961 3.022,963 18.011,964 502.713,965 44.5,970 11.521,974 -0.321,975 56.294,976 63.319,977 0.274,978 0.624,979 0.798,980 0.905,981 0.905,982 0.905,983 5.077,984 1.736,985 5.999,986 5.732,987 4.615,988 5.118,989 2.452,990 6.823,991 4.528,992 6.279,993 1.595,994 7.566,995 4.837,996 4.205,997 4.987,998 1.738,999 7.74,1000 4.075,1001 7.593,1002 1.418,1003 9.231,1004 4.487,1005 6.225,1006 7.331,1007 3.301,1008 10.851,1009 6.054,1010 8.94,1011 1,1012 10.954,1013 3.467,1014 6.621,1015 8.032,1016 3.226,1017 12.603,1018 6.404,1019 10.32,1020 0.919,1021 12.716,1022 2.275,1023 8.11,1024 9.877,1025 4.5,1026 15.239,1027 7.858,1028 11.723,1029 0.902,1030 14.505,1031 2.238,1032 8.891,1033 10.978,1034 4.754,1035 17.344,1036 8.593,1037 13.145,1038 0.748,1039 16.314,1040 2.105,1041 10.164,1042 12.618,1043 5.815,1044 19.815,1045 9.833,1046 3.14,1047 0.143,1048 18.139,1049 1.817,1050 11.132,1051 13.916,1052 6.249,1053 22.072,1054 10.758,1055 3.127,1056 10.856,1057 19.977,1058 0.345,1059 12.317,1060 15.467,1061 7.175,1062 24.483,1063 11.909,1064 2.652,1065 10.559,1066 21.825,1067 4.474,1068 13.374,1069 16.86,1070 7.714,1071 26.805,1072 12.927,1073 2.48,1074 8.004,1075 23.681,1076 4.159,1077 14.525,1078 18.371,1079 8.557,1080 29.192,1081 14.044,1082 2.341,1083 7.577,1084 25.544,1085 3.249,1086 15.624,1087 19.81,1088 9.16,1089 31.542,1090 15.105,1091 2.071,1092 6.841,1093 27.413,1094 3.039,1095 16.764,1096 21.304,1097 9.952,1098 33.921,1099 16.21,1100 2.027,1101 5.8,1102 29.286,1103 2.734,1104 17.883,1105 22.766,1106 10.594,1107 36.284,1108 17.292,1109 13894,1110 22640,1111 23.868,1112 37.245,1113 52.678,1114 54.545,1115 54.174,1116 52.559,1117 52.596,1118 66.693,1119 9.327,1120 153.878,1121 50.275,1122 5.551,1123 5.68,1124 6.215,1125 5.216,1126 5.14,1127 7.474,1128 3.634,1129 18.053,1130 5.046,1131 13.118,1132 1.505,1133 1.558,1134 1.548,1135 1.502,1136 1.503,1137 1.906,1138 0.266,1139 4.397,1140 1.436,1141 4.096,1142 4.129,1143 4.054,1144 4.015,1145 8.201,1146 4.021,1147 3.987,1148 4.011,1149 3.952,1150 3.886,1151 7.429,1152 3.896,1153 3.79,1154 3.858,1155 3.684,1156 3.599,1157 4.983,1158 3.61,1159 3.558,1160 3.602,1161 3.474,1162 3.418,1163 4.789,1164 3.415,1165 3.5,1166 3.546,1167 3.4,1168 3.331,1169 4.443,1170 3.35,1171 3.282,1172 3.347,1173 3.147,1174 3.11,1175 4.31,1176 3.109,1177 3.111,1178 3.206,1179 2.949,1180 2.948,1181 4.198,1182 2.934,1183 3.084,1184 3.159,1185 2.892,1186 2.941,1187 3.953,1188 2.91,1189 0.13,1190 0.105,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.68,1197 0.058,1198 6.695,1199 0.31,1200 4.109,1201 0.087,1202 3.14,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.127,1210 2.147,1211 1.357,1212 2.144,1213 1.93,1214 1.909,1215 2.03,1216 2.061,1217 1.237,1218 2.049,1219 1.743,1220 1.676,1221 1.929,1222 1.956,1223 1.147,1224 1.952,1225 1.528,1226 1.481,1227 1.736,1228 1.715,1229 0.901,1230 1.715,1231 1.46,1232 1.418,1233 1.674,1234 1.647,1235 0.825,1236 1.665,1237 1.262,1238 1.201,1239 1.513,1240 1.473,1241 0.805,1242 1.489,1243 1.153,1244 1.064,1245 1.51,1246 1.376,1247 0.687,1248 1.429,1249 1.11,1250 1.038,1251 1.424,1252 1.303,1253 0.48,1254 1.349,1255 4.263,1257 5.602,1259 7.148,1261 8.787,1263 10.475,1265 2.011,1267 14.815,1271 4.973,1272 2.584,1273 5.284,1276 4.764,1280 35.693,1281 89.076,1282 202.812,1283 259.586,1284 294.457,1285 294.457,1286 294.457,1287 53.362,1288 8.376,1289 57.7,1290 57.7,1291 30,1292 12.751,1293 4.248,1294 3.392,1295 44.015,1296 150,1297 127,1298 0.143,1299 214.041,1300 373.15,1301 514.02,1302 61059,1303 1.8,1304 21.372,1305 0.689,1306 0.565,1307 20.501,1308 17.527,1309 15.081,1310 0.431,1311 0.305,1312 10.496,1313 14.448,1314 10.271,1315 8.415,1316 14.653,1317 10.66,1318 13.834,1319 0.277,1320 0.162,1321 13.413,1322 8.124,1323 12.046,1324 0.177,1325 0.089,1326 11.43,1327 6.065,1328 10.125,1329 0.113,1330 0.048,1331 9.697,1332 4.357,1333 8.781,1334 0.073,1335 0.027,1336 8.473,1337 3.211,1338 0.231,1339 94.839,1340 0.205,1341 29.546,1342 0.374,1343 170,1344 522.85,1345 188.192,1346 476.225,1347 650.76,1348 448,1349 203,1350 478.424,1351 222.754,1352 476.532,1353 704.29,1354 450,1355 9.4} {0 CHEMBL497127,1 1.369,2 15.03,3 4.754,4 22.598,5 133.166,6 6.554,7 0.472,8 4.28,9 4.409,10 3.744,11 3.822,12 5.252,13 3.771,14 4.859,15 5.06,16 4.081,17 4.212,18 5.763,19 4.137,20 5.138,21 5.368,22 4.15,23 4.392,24 6.003,25 4.287,26 5.215,27 5.456,28 4.091,29 4.431,30 6.06,31 4.285,32 5.271,33 5.537,34 3.972,35 4.395,36 6.072,37 4.228,38 5.182,39 5.462,40 3.871,41 4.295,42 5.91,43 4.118,44 5.073,45 5.347,46 3.784,47 4.198,48 5.804,49 4.03,50 5.014,51 5.286,52 3.786,53 4.183,54 5.728,55 4.018,56 0.057,57 0.953,58 15.828,59 6.652,60 8.914,61 9.313,62 0.266,63 1.577,64 29.376,65 10.713,66 25.912,67 15.567,68 0.439,69 1.968,70 39.449,71 13.844,72 40.335,73 20.113,74 0.336,75 2.033,76 42.041,77 16.575,78 44.78,79 23.508,80 0.416,81 2.054,82 45.061,83 16.858,84 55.277,85 24.073,86 0.311,87 1.904,88 40.938,89 15.422,90 39.932,91 22.483,92 0.371,93 1.743,94 36.994,95 13.255,96 38.464,97 19.446,98 0.285,99 1.655,100 34.469,101 13.138,102 26.112,103 19.103,104 22,105 49,106 0.216,107 0.517,108 0.751,109 0.859,110 0.863,111 0.863,112 3.531,113 1.01,114 -4.75,115 -4.67,116 -4.39,119 41.2,120 3,121 3,122 1,125 5,140 9,141 2,142 2,144 2,156 1,169 12,171 1,172 13,178 15,181 1,182 7,189 11,192 1,193 9,199 16,203 8,211 9,215 10,222 7,225 1,226 5,233 6,236 1,237 4,244 10,249 5,256 8,259 1920,260 22.455,261 22.455,262 22.455,263 22.455,264 22.455,265 20.262,266 26.831,267 13.312,268 22.877,269 17.72,270 17.72,271 17.72,272 17.72,273 17.72,274 14.437,275 30.307,276 6.218,277 18.356,278 4.719,279 2.813,280 1.335,281 0.651,282 0.622,283 0.622,284 4.229,289 1,290 1066,291 3.873,295 436.613,299 170.244,302 2.393,303 20.716,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 69.5,315 496,316 4.516,317 3.706,318 6.517,319 4.026,320 3.054,321 4.458,322 1.94,323 10.248,324 2.968,325 4.238,326 3.185,327 6.409,328 3.939,329 2.979,330 3.76,331 0.86,332 9.768,333 2.863,334 3.821,335 2.948,336 5.623,337 3.672,338 2.698,339 3.17,340 0.8,341 7.78,342 2.63,343 3.718,344 2.826,345 5.359,346 3.404,347 2.445,348 3.061,349 0.555,350 6.981,351 2.346,352 3.596,353 2.608,354 5.316,355 3.286,356 2.336,357 2.651,359 6.71,360 2.218,361 3.305,362 2.532,363 5.043,364 3.079,365 2.102,366 2.619,368 6.012,369 2.036,370 3.258,371 2.168,372 4.813,373 2.848,374 1.889,375 2.399,377 5.292,378 1.805,379 3.034,380 2.064,381 4.682,382 2.728,383 1.719,384 2.218,386 4.748,387 1.725,388 2.987,389 1.602,390 4.196,391 2.512,392 1.524,393 2.083,395 3.817,396 1.504,397 2.673,398 1.51,399 3.574,400 2.235,401 1.248,402 1.739,404 2.73,405 1.23,406 2.49,407 1.453,408 3.522,409 2.151,410 1.205,411 1.487,413 2.653,414 1.127,415 2.24,416 1.138,417 3.421,418 1.987,419 1,420 1.159,422 2.275,423 0.983,424 2.136,425 1.077,426 3.414,427 1.984,428 1,429 1.08,431 2.05,432 0.982,433 2,434 0.963,435 3.312,436 1.835,437 0.865,438 1,440 1.998,441 0.836,442 1.384,443 0.464,444 2.942,445 1.209,446 0.25,447 0.273,449 0.618,450 0.238,451 15.867,452 0.481,453 0.729,454 0.022,455 39.25,456 1.189,457 18.5,458 0.561,459 20.75,460 0.629,461 32.879,462 0.996,463 36.333,464 0.534,465 28.112,466 0.852,467 7.425,468 0.225,469 8.604,470 0.261,471 0.116,473 0.303,479 0.765,480 1.414,481 0.903,482 1.205,483 0.618,484 1.088,485 1.048,486 1.154,487 0.953,488 1.004,489 0.597,490 0.966,491 1.355,492 0.935,493 1.095,494 0.927,495 1.081,496 0.966,497 0.902,498 1.12,499 1.044,500 1.164,501 0.849,502 1.13,503 1.22,504 0.975,505 1.063,506 1.012,507 1.241,508 1.027,509 0.846,510 1.05,511 0.964,512 1.036,513 0.712,514 1.019,515 1.096,516 0.979,517 1.075,518 0.983,519 0.987,520 1.019,521 0.779,522 0.964,523 0.973,524 1,525 0.733,526 1.004,527 6.5,528 0.198,529 3.333,530 2.125,531 1.471,532 0.799,533 0.705,534 0.389,535 0.246,536 0.216,537 18170,538 39481,539 2.079,540 51.5,541 3,542 19,546 6,547 7,550 1.744,551 1.96,552 3.823,553 -0.841,559 93.062,560 1.369,561 3.275,562 4.752,563 5.437,564 5.466,565 5.466,566 3.242,567 4.62,568 5.019,569 4.064,570 2145.81,571 8.742,572 34933.6,577 413.947,578 1.35,579 4.982,580 0.181,581 0.009,582 0.068,583 0.042,584 0.032,585 0.02,586 0.02,587 0.012,588 0.007,589 0.007,590 0.397,591 0.33,592 1,593 0.92,594 180.586,595 0.037,596 -0.2,597 0.07,598 -0.076,599 -0.004,600 -0.013,601 0.025,602 -0.023,603 0.052,604 0.017,605 0.098,606 0.034,607 -0.118,608 0.143,609 -0.078,610 0.054,611 -0.065,612 0.006,613 0.034,614 -0.129,615 -0.069,616 -0.141,617 0.067,618 -0.119,619 -0.102,620 -0.031,621 -0.072,622 -0.027,623 -0.114,624 -0.045,625 -0.003,626 -0.105,627 0.005,628 -0.054,629 -0.005,630 -0.03,631 -0.087,632 0.006,633 -0.085,634 -0.021,635 -0.118,636 -0.049,637 0.004,638 0.015,639 -0.007,640 -0.01,641 -0.018,642 -0.01,643 1.569,644 4.875,645 0.667,646 39.085,647 0.987,648 1.126,649 3.525,650 12.424,651 0.649,652 3.611,653 3.912,654 4.159,655 4.394,656 4.585,657 4.595,658 4.663,659 4.762,660 4.779,661 4.836,662 8.968,663 0.602,664 445.66,665 3.611,666 5.142,667 5.979,668 6.843,669 7.692,670 8.559,671 9.412,672 10.279,673 11.134,674 12.002,675 4.4,678 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 68,716 18,717 2,718 36,720 71,721 28,722 15,723 5,724 7,730 4,731 5,736 3,740 2,741 1,743 3,745 16,746 12,747 1,750 1,755 1,759 1,764 35,765 5,767 5,773 3,777 0.75,778 2,786 1,793 4,797 1,806 1,815 1,819 3,823 3,827 33,833 8,835 1,837 1,838 2,847 2.9,850 1,852 1,854 16.833,855 13.017,856 7.361,857 4.489,858 3.357,859 1.418,860 0.967,861 7.874,862 11.383,863 3.839,864 4.394,865 4.929,866 5.495,867 6.024,868 6.218,869 6.488,870 6.787,871 6.964,872 6.728,873 0.9,874 51,875 12.249,877 5.067,878 7.515,879 24.21,881 19.951,883 2.015,884 66.5,888 411.989,889 155.745,890 23.034,892 36.145,895 155.745,896 448.133,897 23.034,898 26.476,899 23.743,900 85.286,901 46.635,902 32.784,904 411.989,906 411.989,907 178.779,908 36.145,911 329.591,912 118.543,915 58.244,916 103.75,917 16.786,919 411.989,920 59.179,921 155.745,924 411.989,925 43.983,926 118.01,928 52.93,929 411.989,930 59.179,931 155.745,933 0.575,934 0.336,935 0.183,936 0.095,937 22,938 10,939 0.113,940 8,941 1,942 1.091,943 4.537,944 288.251,945 0.091,946 22,947 156.465,951 23.57,952 11.025,953 6.057,954 2.068,955 59.179,956 18.71,957 4.596,961 4.28,964 626.912,965 45.5,970 11.875,974 0.097,975 67.098,976 76.557,977 0.225,978 0.538,979 0.781,980 0.893,981 0.898,982 0.898,983 5.07,984 1.719,985 5.948,986 5.292,987 4.595,988 5.081,989 2.315,990 6.723,991 4.53,992 6.247,993 1.524,994 7.484,995 4.748,996 4.111,997 4.832,998 1.738,999 7.557,1000 4.011,1001 7.534,1002 1.248,1003 9.117,1004 3.817,1005 6.155,1006 7.229,1007 3.044,1008 10.625,1009 6.022,1010 8.854,1011 1.205,1012 10.809,1013 2.73,1014 6.479,1015 7.821,1016 3.144,1017 12.297,1018 6.306,1019 10.207,1020 1,1021 12.539,1022 2.653,1023 7.979,1024 9.713,1025 4.149,1026 14.873,1027 7.78,1028 11.583,1029 1,1030 14.297,1031 2.275,1032 8.691,1033 10.735,1034 4.541,1035 16.903,1036 8.452,1037 12.978,1038 0.865,1039 16.074,1040 2.05,1041 9.958,1042 12.405,1043 5.385,1044 19.308,1045 9.694,1046 3.054,1047 0.25,1048 17.867,1049 1.998,1050 10.865,1051 13.655,1052 5.912,1053 21.495,1054 10.562,1055 2.979,1056 10.248,1057 19.673,1058 0.618,1059 12.03,1060 15.222,1061 6.67,1062 23.838,1063 11.701,1064 2.698,1065 9.768,1066 21.489,1067 4.458,1068 13.033,1069 16.59,1070 7.263,1071 26.094,1072 12.667,1073 2.445,1074 7.78,1075 23.313,1076 3.76,1077 14.154,1078 18.11,1079 7.976,1080 28.415,1081 13.761,1082 2.336,1083 6.981,1084 25.145,1085 3.17,1086 15.205,1087 19.539,1088 8.602,1089 30.701,1090 14.777,1091 2.102,1092 6.71,1093 26.982,1094 3.061,1095 16.31,1096 21.039,1097 9.292,1098 33.015,1099 15.853,1100 1.889,1101 6.012,1102 28.824,1103 2.651,1104 17.385,1105 22.498,1106 9.936,1107 35.315,1108 16.895,1109 17257,1110 25560,1111 24.156,1112 44.108,1113 52.878,1114 53.76,1115 54.623,1116 52.623,1117 52.626,1118 66.314,1119 8.312,1120 147.358,1121 50.979,1122 5.516,1123 5.706,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 3.348,1129 17.078,1130 4.968,1131 16.276,1132 1.469,1133 1.493,1134 1.517,1135 1.462,1136 1.462,1137 1.842,1138 0.231,1139 4.093,1140 1.416,1141 4.08,1142 4.106,1143 4.039,1144 4.002,1145 7.428,1146 4.007,1147 3.985,1148 4.023,1149 3.914,1150 3.905,1151 5.016,1152 3.902,1153 3.831,1154 3.889,1155 3.72,1156 3.688,1157 4.734,1158 3.686,1159 3.613,1160 3.669,1161 3.507,1162 3.432,1163 4.58,1164 3.434,1165 3.544,1166 3.591,1167 3.444,1168 3.413,1169 4.328,1170 3.418,1171 3.433,1172 3.496,1173 3.284,1174 3.268,1175 4.213,1176 3.264,1177 3.322,1178 3.401,1179 3.105,1180 3.12,1181 4.117,1182 3.104,1183 3.149,1184 3.215,1185 3.012,1186 2.985,1187 3.886,1188 2.98,1189 0.125,1190 0.103,1191 0.181,1192 0.112,1193 0.085,1194 4.516,1195 0.124,1196 3.706,1197 0.054,1198 6.517,1199 0.285,1200 4.026,1201 0.082,1202 3.054,1203 4.458,1204 1.94,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.115,1210 2.125,1211 1.478,1212 2.121,1213 1.961,1214 1.928,1215 2.103,1216 2.076,1217 1.223,1218 2.089,1219 1.812,1220 1.757,1221 1.986,1222 1.981,1223 1.17,1224 1.985,1225 1.568,1226 1.508,1227 1.825,1228 1.785,1229 1.037,1230 1.798,1231 1.535,1232 1.488,1233 1.75,1234 1.702,1235 0.956,1236 1.718,1237 1.431,1238 1.367,1239 1.696,1240 1.617,1241 0.825,1242 1.648,1243 1.327,1244 1.249,1245 1.663,1246 1.573,1247 0.805,1248 1.607,1249 1.153,1250 1.078,1251 1.513,1252 1.376,1253 0.712,1254 1.429,1255 4.29,1257 5.595,1259 7.096,1261 8.687,1263 10.323,1265 5.665,1271 8.04,1273 6.136,1275 0.692,1276 4.342,1280 40.923,1281 93.062,1282 222.677,1283 323.153,1284 369.683,1285 371.683,1286 371.683,1287 55.485,1288 8.025,1289 45.67,1290 45.67,1291 24,1292 12.549,1293 4.248,1294 3.392,1295 54.904,1296 184,1297 151,1298 0.145,1299 251.811,1300 437.64,1301 606.179,1302 42076,1304 23.209,1305 0.703,1306 0.609,1307 23.209,1308 20.088,1309 16.029,1310 0.445,1311 0.337,1312 11.998,1313 15.539,1314 11.604,1315 9.647,1316 16.029,1317 12.118,1318 14.195,1319 0.29,1320 0.185,1321 14.195,1322 9.046,1323 11.636,1324 0.185,1325 0.105,1326 11.636,1327 6.646,1328 9.87,1329 0.123,1330 0.06,1331 9.87,1332 4.825,1333 7.634,1334 0.079,1335 0.034,1336 7.634,1337 3.336,1338 0.238,1339 99.219,1340 0.203,1341 31.584,1342 0.367,1343 170,1344 418.406,1345 182.64,1346 406.076,1347 563.84,1348 384,1349 197,1350 418.542,1351 209.532,1352 424.101,1353 617.7,1354 401,1355 8.801} {0 CHEMBL497963,1 1.546,2 14.938,3 4.462,4 19.91,5 129.274,6 7.201,7 0.486,8 4.222,9 4.334,10 3.896,11 3.795,12 5.181,13 3.734,14 4.805,15 4.98,16 4.135,17 4.178,18 5.938,19 4.103,20 5.089,21 5.308,22 4.126,23 4.331,24 6.025,25 4.216,26 5.127,27 5.377,28 4.066,29 4.33,30 5.961,31 4.172,32 5.125,33 5.38,34 3.982,35 4.271,36 5.981,37 4.113,38 5.041,39 5.298,40 3.885,41 4.187,42 5.866,43 4.025,44 4.98,45 5.239,46 3.812,47 4.112,48 5.797,49 3.947,50 4.907,51 5.163,52 3.826,53 4.096,54 5.706,55 3.925,56 0.09,57 0.921,58 17.158,59 6.487,60 15.251,61 8.334,62 0.388,63 1.506,64 30.265,65 10.891,66 63.475,67 14.314,68 0.487,69 1.857,70 38.185,71 13.468,72 60.05,73 18.409,74 0.296,75 1.869,76 41.575,77 15.874,78 44.944,79 21.564,80 0.398,81 1.804,82 41.698,83 15.096,84 57.638,85 20.436,86 0.308,87 1.695,88 39.239,89 14.05,90 48.035,91 19.135,92 0.424,93 1.605,94 36.513,95 12.463,96 54.696,97 17.091,98 0.306,99 1.523,100 36.099,101 12.747,102 37.552,103 16.896,104 19,105 49,106 0.247,107 0.554,108 0.769,109 0.855,110 0.86,111 0.86,112 3.501,113 1.117,114 -3.71,115 -3.68,116 -3.5,119 39.7,120 1,121 3,122 1,124 1,125 4,140 9,141 2,142 2,144 2,169 12,171 1,172 8,174 2,176 2,178 15,181 1,182 5,186 2,189 11,192 1,193 8,197 2,199 11,203 9,208 1,211 5,215 10,220 2,222 3,225 1,226 6,233 4,237 6,240 1,244 6,249 5,256 8,259 1814,260 21.273,261 21.273,262 21.273,263 21.273,264 21.273,265 18.861,266 22.657,267 12.597,268 21.695,269 17.352,270 17.352,271 17.352,272 17.352,273 17.352,274 13.705,275 22.227,276 6.065,277 18.055,278 4.432,279 2.509,280 1.167,281 0.627,282 0.595,283 0.595,284 4.198,288 1,289 1,290 1031,291 3.873,295 420.234,299 163.332,302 2.391,303 27.682,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.5,315 478,316 4.644,317 4.311,318 6.517,319 4.078,320 3.142,321 4.458,322 0.86,323 10.248,324 2.968,325 4.516,326 3.185,327 6.457,328 4.026,329 3.054,330 4.442,331 0.8,332 10.203,333 2.928,334 4.052,335 2.944,336 5.672,337 3.73,338 2.746,339 3.645,341 7.969,342 2.701,343 3.719,344 2.806,345 5.417,346 3.502,347 2.544,348 3.17,350 7.191,351 2.438,352 3.644,353 2.602,354 5.322,355 3.291,356 2.342,357 2.716,359 6.719,360 2.22,361 3.359,362 2.396,363 5.149,364 3.155,365 2.197,366 2.628,368 6.438,369 2.091,370 3.291,371 2.155,372 4.814,373 2.857,374 1.897,375 2.506,377 5.331,378 1.815,379 3.048,380 1.985,381 4.769,382 2.796,383 1.818,384 2.219,386 5.282,387 1.772,388 2.988,389 1.598,390 4.196,391 2.512,392 1.524,393 2.094,395 3.817,396 1.504,397 2.661,398 1.462,399 3.53,400 2.2,401 1.236,402 1.732,404 2.723,405 1.195,406 2.49,407 1.248,408 3.498,409 2.148,410 1.185,411 1.487,413 2.62,414 1.126,415 2.137,416 1.077,417 3.414,418 1.984,419 1,420 1.08,422 2.275,423 0.983,424 2,425 0.963,426 3.312,427 1.835,428 0.865,429 1,431 1.999,432 0.836,433 1.384,434 0.736,435 3.105,436 1.209,437 0.251,438 0.273,440 0.62,441 0.238,442 1.208,443 0.463,444 2.928,445 0.887,446 -0.075,447 -0.088,449 -0.192,450 -0.072,451 15.533,452 0.485,453 0.904,454 0.028,455 40,456 1.25,457 20,458 0.625,459 20,460 0.625,461 29.699,462 0.928,463 35.467,464 0.563,465 28.783,466 0.899,467 7.381,468 0.231,469 7.973,470 0.249,471 0.107,472 0.054,473 0.251,479 0.606,480 1.385,481 0.869,482 1.268,483 0.671,484 1.045,485 0.852,486 1.183,487 1.068,488 1.114,489 0.491,490 1.006,491 1.275,492 0.936,493 0.972,494 0.869,495 1.12,496 1.016,497 0.643,498 1.048,499 0.879,500 1.049,501 0.415,502 1.052,503 1.047,504 0.947,505 0.902,506 0.924,507 0.856,508 0.992,509 0.862,510 1.085,511 0.971,512 1.05,513 0.694,514 1.045,515 1.115,516 0.95,517 0.995,518 0.909,519 1.015,520 1.014,521 0.817,522 0.991,523 1.098,524 1.075,525 0.76,526 1.022,527 8,528 0.198,529 2.667,530 2,531 1.511,532 0.833,533 0.664,534 0.389,535 0.283,536 0.189,537 16969,538 43555,539 2.074,540 49.2,541 3,542 20,545 1,546 3,547 4,550 1.736,551 1.949,552 3.81,553 -0.372,559 97.382,560 1.546,561 3.469,562 4.81,563 5.35,564 5.382,565 5.382,566 3.227,567 4.64,568 4.974,569 4.055,570 2011.33,571 8.65,572 32066.2,574 1,577 376.569,578 1.478,579 4.929,580 0.229,581 0.009,582 0.054,583 0.043,584 0.036,585 0.022,586 0.019,587 0.013,588 0.009,589 0.007,590 0.441,591 0.33,592 1,593 0.844,594 173.677,595 0.11,596 -0.162,597 0.209,598 -0.08,599 -0.124,600 0.013,601 0.161,602 -0.056,603 -0.052,604 -0.069,605 0.332,606 -0.015,607 -0.17,608 0.095,609 -0.121,610 0.028,611 -0.137,612 -0.064,613 0.073,614 -0.092,615 0.024,616 -0.075,617 0.106,618 -0.041,619 -0.078,620 -0.016,621 -0.008,622 0.007,623 -0.044,624 -0.01,625 -0.027,626 -0.134,627 -0.036,628 -0.087,629 0.001,630 -0.052,631 -0.125,632 0.023,633 -0.076,634 0.008,635 -0.134,636 -0.054,637 -0.019,639 -0.044,640 -0.038,641 -0.024,642 -0.018,643 4.166,644 4.463,645 0.688,646 37.73,647 0.996,648 1.125,649 2.481,650 6.155,651 0.662,652 3.584,653 3.912,654 4.078,655 4.344,656 4.554,657 4.564,658 4.615,659 4.736,660 4.745,661 4.787,662 8.865,663 0.615,664 453.66,665 3.584,666 5.13,667 5.948,668 6.823,669 7.655,670 8.531,671 9.368,672 10.243,673 11.084,674 11.958,675 4.8,678 1,680 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 63,716 19,717 2,718 35,720 66,721 25,722 15,723 5,724 7,730 4,731 5,736 1,740 2,741 1,743 3,745 15,746 10,747 1,750 2,753 1,755 2,764 31,765 6,766 1,767 7,768 1,773 3,777 0.75,778 3,786 1,793 4,797 1,815 1,819 3,821 1,823 2,827 32,830 1,833 7,834 1,835 1,837 1,838 1,847 4.8,850 2,852 1,854 16.417,855 11.65,856 6.847,857 3.824,858 3.424,859 1.43,860 0.985,861 7.22,862 11.383,863 3.839,864 4.454,865 4.885,866 5.476,867 6.013,868 6.211,869 6.469,870 6.804,871 6.959,872 6.722,873 0.9,874 46,875 12.023,877 5.215,878 7.68,879 23.259,881 19.539,883 2.18,884 69.75,887 1,888 353.133,889 144.282,890 36.315,892 55.313,894 5.807,895 138.474,896 408.446,897 36.315,898 16.016,899 18.513,900 91.094,901 77.503,902 32.784,904 353.133,906 353.133,907 174.789,908 55.313,909 5.807,911 306.049,912 102.397,915 35.363,916 106.235,917 38.998,919 353.133,920 91.628,921 144.282,923 5.807,924 353.133,925 37.173,926 104.426,927 16.405,928 72.098,929 353.133,930 91.628,931 144.282,933 0.584,934 0.308,935 0.169,936 0.095,937 23,938 10,939 0.121,940 8,941 1,942 1.091,943 4.479,944 275.531,945 0.091,946 22,947 152,950 1,951 22.88,952 10.098,953 6.604,954 2.031,955 91.628,956 17.864,957 4.576,961 3.724,963 16.405,964 589.043,965 45.5,968 -3.25,970 22.926,975 62.734,976 70.856,977 0.259,978 0.58,979 0.805,980 0.895,981 0.9,982 0.9,983 5.083,984 1.818,985 5.953,986 5.331,987 4.595,988 5.142,989 1.235,990 6.737,991 4.519,992 6.303,993 1.524,994 7.494,995 5.282,996 4.29,997 5.19,998 0.325,999 7.735,1000 4.143,1001 7.635,1002 1.236,1003 9.134,1004 3.817,1005 6.213,1006 7.422,1007 0.938,1008 10.682,1009 6.056,1010 9.002,1011 1.185,1012 10.834,1013 2.723,1014 6.661,1015 8.261,1016 0.268,1017 12.456,1018 6.425,1019 10.402,1020 1,1021 12.571,1022 2.62,1023 8.103,1024 10.046,1025 0.732,1026 14.979,1027 7.855,1028 11.825,1029 0.865,1030 14.334,1031 2.275,1032 8.899,1033 11.235,1034 0.188,1035 17.07,1036 8.577,1037 13.268,1038 0.251,1039 16.116,1040 1.999,1041 10.146,1042 12.849,1043 0.57,1044 19.458,1045 9.802,1046 3.142,1047 -0.075,1048 17.913,1049 0.62,1050 11.112,1051 14.199,1052 0.125,1053 21.683,1054 10.699,1055 3.054,1056 10.248,1057 19.722,1058 -0.192,1059 12.279,1060 15.741,1061 0.438,1062 24.026,1063 11.833,1064 2.746,1065 10.203,1066 21.54,1067 4.458,1068 13.326,1069 17.166,1070 0.082,1071 26.307,1072 12.817,1073 2.544,1074 7.969,1075 23.367,1076 4.442,1077 14.462,1078 18.677,1079 0.334,1080 28.636,1081 13.912,1082 2.342,1083 7.191,1084 25.201,1085 3.645,1086 15.549,1087 20.137,1088 0.054,1089 30.941,1090 14.94,1091 2.197,1092 6.719,1093 27.04,1094 3.17,1095 16.675,1096 21.636,1097 0.252,1098 33.266,1099 16.019,1100 1.897,1101 6.438,1102 28.885,1103 2.716,1104 17.782,1105 23.112,1106 0.035,1107 35.581,1108 17.069,1109 16069,1110 25927,1111 23.345,1112 41.688,1113 51.467,1114 53.322,1115 52.203,1116 51.687,1117 51.602,1118 66.9,1119 3.32,1120 146.873,1121 49.627,1122 5.644,1123 6.311,1124 6.097,1125 5.149,1126 5.142,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 15.999,1132 1.47,1133 1.523,1134 1.492,1135 1.477,1136 1.474,1137 1.911,1138 0.095,1139 4.196,1140 1.418,1141 4.084,1142 4.108,1143 4.716,1144 4.011,1145 7.718,1146 4.008,1147 4.025,1148 4.037,1149 4.037,1150 3.971,1151 6.999,1152 3.921,1153 3.891,1154 3.916,1155 3.868,1156 3.819,1157 5.016,1158 3.734,1159 3.768,1160 3.776,1161 3.695,1162 3.664,1163 4.742,1164 3.636,1165 3.548,1166 3.594,1167 3.448,1168 3.43,1169 4.58,1170 3.426,1171 3.439,1172 3.501,1173 3.293,1174 3.277,1175 4.329,1176 3.272,1177 3.155,1178 3.221,1179 3.023,1180 2.991,1181 4.212,1182 2.986,1183 3.111,1184 3.206,1185 2.897,1186 2.941,1187 3.922,1188 2.913,1189 0.133,1190 0.123,1191 0.186,1192 0.117,1193 0.09,1194 4.644,1195 0.127,1196 4.311,1197 0.025,1198 6.517,1199 0.293,1200 4.078,1201 0.085,1202 3.142,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.113,1210 2.125,1211 1.478,1212 2.121,1213 1.964,1214 1.938,1215 2.101,1216 2.075,1217 1.222,1218 2.094,1219 1.819,1220 1.782,1221 1.969,1222 1.976,1223 1.157,1224 2.003,1225 1.657,1226 1.675,1227 1.752,1228 1.792,1229 1.018,1230 1.853,1231 1.538,1232 1.493,1233 1.699,1234 1.704,1235 0.931,1236 1.721,1237 1.435,1238 1.372,1239 1.607,1240 1.619,1241 0.825,1242 1.65,1243 1.153,1244 1.082,1245 1.513,1246 1.376,1247 0.805,1248 1.429,1249 1.147,1250 1.064,1251 1.443,1252 1.363,1253 0.688,1254 1.392,1255 4.263,1257 5.587,1259 7.089,1261 8.673,1263 10.299,1265 3.178,1271 6.957,1272 2.562,1273 6.1,1275 0.619,1276 2.464,1280 38.771,1281 97.382,1282 218.516,1283 303.02,1284 337.059,1285 339.059,1286 339.059,1287 60.51,1288 7.959,1289 71.53,1290 79.91,1291 24,1292 12.505,1293 4.322,1294 3.524,1295 52.409,1296 175,1297 142,1298 0.144,1299 241.089,1300 415.68,1301 580.017,1302 38890,1304 22.554,1305 0.705,1306 0.611,1307 22.804,1308 19.567,1309 15.354,1310 0.439,1311 0.372,1312 11.181,1313 14.131,1314 10.674,1315 8.855,1316 16.281,1317 13.03,1318 14.75,1319 0.301,1320 0.213,1321 16.132,1322 10.436,1323 10.671,1324 0.184,1325 0.113,1326 11.122,1327 6.564,1328 9.253,1329 0.122,1330 0.065,1331 9.779,1332 4.918,1333 7.461,1334 0.079,1335 0.037,1336 7.834,1337 3.514,1338 0.238,1339 104.703,1340 0.207,1341 30.86,1342 0.365,1343 168,1344 453.69,1345 211.906,1346 459.71,1347 622.64,1348 426,1349 191,1350 431.459,1351 241.925,1352 470.828,1353 673.33,1354 439,1355 9.3} {0 CHEMBL497979,1 1.591,2 13.387,3 3.532,4 12.475,5 117.77,6 7.509,7 0.486,8 4.139,9 4.257,10 3.722,11 3.671,12 5.205,13 3.661,14 4.712,15 4.89,16 4.104,17 4.077,18 5.757,19 4.053,20 4.984,21 5.189,22 4.189,23 4.254,24 6.068,25 4.195,26 5.033,27 5.264,28 4.043,29 4.266,30 5.947,31 4.152,32 5.055,33 5.321,34 3.96,35 4.212,36 5.937,37 4.081,38 4.974,39 5.232,40 3.832,41 4.092,42 5.882,43 3.967,44 4.859,45 5.117,46 3.696,47 3.948,48 5.781,49 3.825,50 4.719,51 4.98,52 3.578,53 3.824,54 5.624,55 3.697,56 0.034,57 0.907,58 11.29,59 5.115,60 5.986,61 6.586,62 0.264,63 1.497,64 22.792,65 8.34,66 22.749,67 11.208,68 0.629,69 1.899,70 31.86,71 11.061,72 61.486,73 14.932,74 0.316,75 1.901,76 33.964,77 13.39,78 38.833,79 18.312,80 0.416,81 1.882,82 36.587,83 13.327,84 48.902,85 19.036,86 0.46,87 1.75,88 34.035,89 11.897,90 58.221,91 16.381,92 0.523,93 1.562,94 30.74,95 10.272,96 60.084,97 14.034,98 0.469,99 1.349,100 26.696,101 9.032,102 50.157,103 12.603,104 10,105 50,106 0.26,107 0.592,108 0.758,109 0.859,110 0.859,111 0.859,112 3.471,113 0.913,114 -3.81,115 -3.77,116 -3.58,119 42.9,120 1,121 1,125 6,140 7,141 2,142 4,144 2,156 1,169 7,172 7,174 1,176 1,178 7,181 2,182 7,184 1,186 2,189 5,192 1,193 6,197 2,199 3,203 7,211 2,215 6,218 1,222 1,225 2,226 3,233 2,236 1,237 1,244 4,249 2,252 1,256 7,259 1505,260 21.118,261 21.118,262 21.118,263 21.118,264 21.118,265 18.907,266 28.584,267 12.259,268 21.593,269 17.28,270 17.28,271 17.28,272 17.28,273 17.28,274 13.842,275 36.97,276 5.86,277 18.076,278 4.217,279 2.186,280 1.172,281 0.549,282 0.549,283 0.549,284 4.184,288 1,289 1,290 927,291 2.739,295 430.91,299 288.116,302 2.092,303 30.595,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 415,316 4.622,317 3.653,318 6.794,319 4.167,320 3.2,321 4.568,322 2.03,323 11.183,324 3.092,325 4.302,326 3.366,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.895,335 3.05,336 6.038,337 3.631,338 2.701,339 3.273,340 0.8,341 8.583,342 2.508,343 3.69,344 3.01,345 5.4,346 3.409,347 2.449,348 3.028,349 0.8,350 7.088,351 2.363,352 3.612,353 2.756,354 5.223,355 3.259,356 2.291,357 2.962,358 0.141,359 6.583,360 2.2,361 3.494,362 2.538,363 5.052,364 3.174,365 2.218,366 2.648,368 5.942,369 2.109,370 3.386,371 2.5,372 4.96,373 3.038,374 2.044,375 2.535,377 5.779,378 2.012,379 3.133,380 2.093,381 4.948,382 2.773,383 1.82,384 2.321,386 5.48,387 1.726,388 2.885,389 1.976,390 4.387,391 2.508,392 1.569,393 2.01,395 4.279,396 1.467,397 2.78,398 1.523,399 4.299,400 2.406,401 1.433,402 1.851,404 3.867,405 1.39,406 2.399,407 1.347,408 3.698,409 1.967,410 1,411 1.364,413 2.521,414 0.965,415 2.065,416 1.146,417 3.414,418 1.957,419 0.997,420 1.001,422 2.275,423 0.951,424 2,425 1.14,426 3.333,427 1.804,428 0.861,429 1,431 2.003,432 0.804,433 1.749,434 0.892,435 3.205,436 1.565,437 0.62,438 0.683,440 1.494,441 0.582,442 1.431,443 0.656,444 2.852,445 1.058,446 0.134,447 0.164,449 0.313,450 0.121,451 14.552,452 0.469,453 0.78,454 0.025,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 26.76,462 0.863,463 33.448,464 0.597,465 29.503,466 0.952,467 7.915,468 0.255,469 7.149,470 0.231,471 0.077,473 0.364,477 1,479 0.69,480 1.255,481 0.74,482 1.118,483 0.523,484 0.97,485 0.899,486 1.076,487 0.853,488 0.946,489 0.549,490 0.889,491 0.954,492 0.922,493 1.045,494 0.944,495 0.847,496 0.988,497 0.698,498 1.083,499 0.991,500 1.168,501 0.614,502 1.15,503 0.603,504 0.936,505 0.893,506 1.019,507 0.626,508 1.014,509 0.983,510 1.04,511 1.089,512 1.06,513 1.013,514 1.087,515 1.135,516 1.038,517 1.162,518 1.019,519 1.232,520 1.081,521 0.96,522 0.962,523 1.085,524 1.014,525 1.087,526 1.061,527 6.5,528 0.136,529 3.778,530 1.688,531 2.147,532 0.944,533 0.623,534 0.391,535 0.25,536 0.184,537 15341,538 40968,539 2.16,540 44.6,542 19,545 1,546 3,547 2,550 1.73,551 2.044,552 3.686,553 -0.361,555 1,559 89.076,560 1.591,561 3.622,562 4.635,563 5.258,564 5.258,565 5.258,566 3.1,567 4.761,568 4.929,569 3.882,570 1805.19,571 8.567,572 26763,574 1,576 1,577 325.212,578 1.332,579 4.896,580 0.186,581 0.006,582 0.076,583 0.032,584 0.049,585 0.024,586 0.018,587 0.013,588 0.01,589 0.007,590 0.421,591 0.5,592 0.88,593 0.486,594 163.939,595 -0.026,596 -0.182,597 0.066,598 -0.072,599 -0.017,600 -0.002,601 -0.051,602 -0.057,603 0.046,604 0.028,605 0.042,606 0.054,607 0.014,608 0.102,609 -0.1,610 0.017,611 0.032,612 -0.045,614 -0.151,615 -0.061,616 -0.153,617 0.024,618 -0.129,619 0.062,620 -0.042,621 0.07,622 -0.027,623 0.049,624 0.014,625 -0.077,626 -0.051,627 -0.096,628 -0.08,629 -0.092,630 -0.089,631 -0.094,632 -0.018,633 -0.147,634 -0.055,635 -0.147,636 -0.102,637 0.003,638 0.042,639 -0.078,640 -0.04,641 -0.082,642 -0.069,643 1.937,644 6.244,645 0.839,646 32.243,647 1.005,648 1.131,649 2.582,650 6.664,651 0.665,652 3.584,653 3.932,654 4.22,655 4.5,656 4.804,657 4.852,658 4.942,659 5.063,660 5.193,661 5.17,662 7.937,663 0.637,664 420.53,665 3.584,666 5.142,667 6.004,668 6.891,669 7.769,670 8.657,671 9.541,672 10.431,673 11.317,674 12.207,675 7.1,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 56,716 18,717 2,718 35,720 60,721 24,722 15,723 7,724 5,730 5,731 7,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,762 1,764 25,765 7,766 1,767 7,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,825 1,827 31,833 7,834 1,835 1,838 2,846 1,847 3.6,850 1,852 1,854 15.167,855 10.41,856 6.639,857 3.477,858 3.467,859 1.414,860 1.022,861 5.512,862 11.845,863 3.818,864 4.431,865 5.011,866 5.604,867 6.201,868 6.455,869 6.749,870 7.061,871 7.369,872 7.246,873 0.889,874 52,875 11.529,877 5.024,878 7.742,879 22.234,881 18.82,883 2.242,884 69.5,886 1,887 1,888 282.506,889 128.056,890 41.045,892 36.145,893 14.96,895 128.056,896 318.651,897 56.005,898 8.825,899 35.666,900 66.334,901 46.635,902 47.786,903 14.96,904 282.506,906 282.506,907 169.101,908 51.105,911 273.924,912 59.687,915 52.517,916 99.799,917 16.786,919 297.467,920 77.19,921 128.056,924 282.506,925 52.897,926 81.408,927 18.011,928 67.89,929 282.506,930 92.15,931 128.056,933 0.59,934 0.344,935 0.187,936 0.113,937 26,938 11,939 0.067,940 4,941 2,942 1.154,943 4.351,944 284.16,945 0.154,946 26,947 149.58,951 20.228,952 8.447,953 4.231,954 1.32,955 92.15,956 13.295,957 4.397,961 4.264,963 18.011,964 502.713,965 44.5,970 11.533,974 -0.112,975 56.294,976 63.319,977 0.274,978 0.624,979 0.798,980 0.905,981 0.905,982 0.905,983 5.077,984 1.82,985 5.994,986 5.779,987 4.615,988 5.118,989 2.452,990 6.808,991 4.528,992 6.279,993 1.569,994 7.553,995 5.48,996 4.205,997 4.987,998 1.738,999 7.695,1000 4.075,1001 7.591,1002 1.433,1003 9.208,1004 4.279,1005 6.217,1006 7.328,1007 3.301,1008 10.795,1009 6.047,1010 8.934,1011 1,1012 10.919,1013 3.867,1014 6.594,1015 8.021,1016 3.226,1017 12.518,1018 6.38,1019 10.309,1020 0.997,1021 12.668,1022 2.521,1023 8.083,1024 9.87,1025 4.5,1026 15.147,1027 7.834,1028 11.707,1029 0.861,1030 14.443,1031 2.275,1032 8.842,1033 10.97,1034 4.754,1035 17.243,1036 8.551,1037 13.124,1038 0.62,1039 16.24,1040 2.003,1041 10.114,1042 12.618,1043 5.815,1044 19.713,1045 9.79,1046 3.2,1047 0.134,1048 18.053,1049 1.494,1050 11.065,1051 13.926,1052 6.249,1053 21.975,1054 10.703,1055 2.961,1056 11.183,1057 19.879,1058 0.313,1059 12.248,1060 15.488,1061 7.175,1062 24.393,1063 11.854,1064 2.701,1065 9.342,1066 21.718,1067 4.568,1068 13.294,1069 16.899,1070 7.714,1071 26.73,1072 12.864,1073 2.449,1074 8.583,1075 23.566,1076 3.93,1077 14.443,1078 18.427,1079 8.557,1080 29.133,1081 13.982,1082 2.291,1083 7.088,1084 25.422,1085 3.273,1086 15.538,1087 19.889,1088 9.16,1089 31.506,1090 15.042,1091 2.218,1092 6.583,1093 27.286,1094 3.028,1095 16.677,1096 21.404,1097 9.952,1098 33.907,1099 16.15,1100 2.044,1101 5.942,1102 29.155,1103 2.962,1104 17.795,1105 22.891,1106 10.594,1107 36.297,1108 17.235,1109 14055,1110 23123,1111 23.868,1112 37.245,1113 52.743,1114 54.422,1115 53.927,1116 52.561,1117 52.595,1118 66.678,1119 9.327,1120 153.461,1121 50.271,1122 5.622,1123 5.653,1124 6.208,1125 5.274,1126 5.2,1127 7.568,1128 3.634,1129 18.556,1130 5.092,1131 13.278,1132 1.507,1133 1.555,1134 1.541,1135 1.502,1136 1.503,1137 1.905,1138 0.266,1139 4.385,1140 1.436,1141 4.101,1142 4.133,1143 4.069,1144 4.015,1145 8.201,1146 4.024,1147 3.979,1148 4.005,1149 3.929,1150 3.886,1151 7.429,1152 3.891,1153 3.791,1154 3.858,1155 3.685,1156 3.599,1157 4.929,1158 3.61,1159 3.558,1160 3.603,1161 3.47,1162 3.418,1163 4.844,1164 3.417,1165 3.505,1166 3.549,1167 3.415,1168 3.33,1169 4.433,1170 3.351,1171 3.286,1172 3.35,1173 3.17,1174 3.109,1175 4.309,1176 3.112,1177 3.111,1178 3.206,1179 2.979,1180 2.948,1181 4.201,1182 2.94,1183 3.095,1184 3.166,1185 2.866,1186 2.941,1187 3.889,1188 2.91,1189 0.132,1190 0.104,1191 0.194,1192 0.119,1193 0.091,1194 4.622,1195 0.131,1196 3.653,1197 0.058,1198 6.794,1199 0.32,1200 4.167,1201 0.088,1202 3.2,1203 4.568,1204 2.03,1205 11.183,1206 3.092,1207 2.043,1208 2.019,1209 2.114,1210 2.148,1211 1.357,1212 2.139,1213 1.937,1214 1.913,1215 2.047,1216 2.06,1217 1.238,1218 2.055,1219 1.744,1220 1.676,1221 1.933,1222 1.956,1223 1.148,1224 1.953,1225 1.525,1226 1.479,1227 1.725,1228 1.715,1229 0.904,1230 1.715,1231 1.459,1232 1.417,1233 1.669,1234 1.648,1235 0.825,1236 1.661,1237 1.261,1238 1.2,1239 1.513,1240 1.473,1241 0.798,1242 1.49,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.691,1248 1.429,1249 1.105,1250 1.034,1251 1.414,1252 1.304,1253 0.467,1254 1.345,1255 4.263,1257 5.602,1259 7.143,1261 8.776,1263 10.459,1265 1.883,1267 14.244,1271 5.616,1272 2.868,1273 5.428,1276 4.764,1280 35.693,1281 89.076,1282 202.812,1283 259.586,1284 294.457,1285 294.457,1286 294.457,1287 50.446,1288 8.377,1289 57.7,1290 57.7,1291 30,1292 12.737,1293 4.248,1294 3.392,1295 44.039,1296 153,1297 126,1298 0.141,1299 214.041,1300 373.15,1301 514.02,1302 60924,1303 1.8,1304 21.372,1305 0.689,1306 0.565,1307 20.501,1308 17.527,1309 15.064,1310 0.43,1311 0.304,1312 10.49,1313 14.425,1314 10.263,1315 8.409,1316 14.653,1317 10.654,1318 13.94,1319 0.279,1320 0.163,1321 13.413,1322 8.161,1323 11.917,1324 0.178,1325 0.09,1326 11.43,1327 6.031,1328 9.968,1329 0.112,1330 0.049,1331 9.697,1332 4.327,1333 8.847,1334 0.073,1335 0.027,1336 8.473,1337 3.232,1338 0.229,1339 94.738,1340 0.205,1341 29.619,1342 0.368,1343 170,1344 522.85,1345 188.192,1346 476.418,1347 650.2,1348 448,1349 202,1350 477.424,1351 221.172,1352 475.767,1353 701.48,1354 449,1355 9.5} {0 CHEMBL497980,1 1.591,2 13.387,3 3.991,4 15.927,5 122.358,6 7.803,7 0.486,8 4.136,9 4.252,10 3.755,11 3.695,12 5.168,13 3.672,14 4.708,15 4.884,16 4.148,17 4.108,18 5.711,19 4.069,20 4.979,21 5.179,22 4.254,23 4.293,24 5.996,25 4.215,26 5.028,27 5.256,28 4.114,29 4.309,30 5.881,31 4.175,32 5.051,33 5.313,34 4.042,35 4.252,36 5.863,37 4.103,38 4.966,39 5.218,40 3.899,41 4.145,42 5.803,43 3.992,44 4.85,45 5.101,46 3.773,47 4.008,48 5.694,49 3.854,50 4.711,51 4.964,52 3.634,53 3.866,54 5.536,55 3.717,56 0.018,57 0.826,58 10.957,59 5.021,60 5.756,61 6.568,62 0.233,63 1.385,64 22.843,65 8.415,66 21.426,67 11.313,68 0.555,69 1.717,70 33.416,71 11.272,72 51.646,73 15.25,74 0.259,75 1.737,76 35.689,77 13.745,78 32.397,79 18.87,80 0.327,81 1.729,82 39.048,83 13.814,84 39.15,85 19.595,86 0.366,87 1.571,88 37.99,89 12.538,90 42.076,91 17.349,92 0.436,93 1.383,94 34.704,95 10.906,96 43.448,97 14.995,98 0.361,99 1.2,100 30.464,101 9.527,102 34.651,103 13.322,104 10,105 50,106 0.26,107 0.592,108 0.758,109 0.859,110 0.859,111 0.859,112 3.471,113 0.946,114 -3.91,115 -3.87,116 -3.67,119 42.9,120 1,121 1,125 6,140 7,141 2,142 4,144 2,156 1,169 7,172 7,174 1,176 1,178 8,181 2,182 8,184 1,186 2,189 7,192 1,193 6,197 2,199 4,203 8,211 4,215 6,218 1,222 1,225 2,226 3,233 2,236 1,237 2,244 4,249 2,252 1,256 7,259 1505,260 21.118,261 21.118,262 21.118,263 21.118,264 21.118,265 18.907,266 28.557,267 12.259,268 21.654,269 17.28,270 17.28,271 17.28,272 17.28,273 17.28,274 13.842,275 36.949,276 5.86,277 18.204,278 4.217,279 2.186,280 1.172,281 0.549,282 0.549,283 0.549,284 4.184,285 1,288 1,289 1,290 927,291 2.739,295 430.91,299 288.116,302 2.092,303 24.23,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66.333,315 415,316 4.622,317 3.653,318 6.794,319 4.16,320 3.2,321 4.568,322 2.03,323 11.183,324 3.069,325 4.302,326 3.371,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.895,335 3.052,336 6.038,337 3.625,338 2.701,339 3.273,340 0.8,341 8.583,342 2.494,343 3.69,344 3.014,345 5.4,346 3.407,347 2.449,348 3.028,349 0.8,350 7.088,351 2.36,352 3.612,353 2.759,354 5.223,355 3.259,356 2.291,357 2.962,358 0.141,359 6.583,360 2.2,361 3.494,362 2.544,363 5.052,364 3.153,365 2.218,366 2.648,368 5.942,369 2.057,370 3.386,371 2.5,372 4.96,373 3.036,374 2.044,375 2.535,377 5.779,378 1.988,379 3.133,380 2.097,381 4.948,382 2.759,383 1.82,384 2.321,386 5.48,387 1.677,388 2.885,389 1.976,390 4.387,391 2.508,392 1.569,393 2.01,395 4.279,396 1.467,397 2.78,398 1.523,399 4.299,400 2.405,401 1.433,402 1.851,404 3.867,405 1.389,406 2.399,407 1.347,408 3.698,409 1.967,410 1,411 1.364,413 2.521,414 0.965,415 2.065,416 1.146,417 3.414,418 1.946,419 0.997,420 1.001,422 2.275,423 0.925,424 2,425 1.146,426 3.333,427 1.801,428 0.861,429 1,431 2.003,432 0.797,433 1.749,434 0.892,435 3.205,436 1.563,437 0.62,438 0.683,440 1.494,441 0.578,442 1.431,443 0.658,444 2.852,445 1.013,446 0.134,447 0.164,449 0.313,450 0.103,451 14.981,452 0.483,453 0.78,454 0.025,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 27.725,462 0.894,463 33.019,464 0.59,465 28.538,466 0.921,467 7.784,468 0.251,469 7.28,470 0.235,471 0.103,473 0.354,479 0.755,480 1.396,481 0.646,482 1.04,483 0.566,484 0.934,485 1.007,486 1.146,487 0.742,488 0.87,489 0.586,490 0.854,491 1.018,492 0.957,493 0.959,494 0.916,495 0.921,496 0.971,497 0.683,498 1.116,499 0.909,500 1.107,501 0.542,502 1.121,503 0.59,504 0.998,505 0.826,506 0.987,507 0.593,508 0.994,509 0.898,510 1.028,511 1.146,512 1.099,513 0.843,514 1.108,515 1.044,516 0.987,517 1.244,518 1.07,519 1.095,520 1.109,521 0.862,522 1.032,523 1.185,524 1.131,525 0.905,526 1.111,527 6.5,528 0.136,529 3.778,530 1.688,531 2.147,532 0.944,533 0.623,534 0.391,535 0.25,536 0.184,537 15341,538 40968,539 2.16,540 44.6,542 19,545 1,546 3,547 2,550 1.73,551 2.044,552 3.686,553 -0.361,555 1,559 89.076,560 1.591,561 3.622,562 4.635,563 5.258,564 5.258,565 5.258,566 3.1,567 4.761,568 4.929,569 3.882,570 1805.19,571 8.567,572 26763,574 1,577 325.212,578 1.332,579 4.896,580 0.186,581 0.006,582 0.076,583 0.032,584 0.049,585 0.024,586 0.018,587 0.013,588 0.01,589 0.007,590 0.421,591 0.5,592 0.88,593 0.486,594 163.939,595 -0.024,596 -0.217,597 0.044,598 -0.068,599 -0.017,600 -0.003,601 -0.056,602 -0.015,603 0.045,604 0.064,605 0.06,606 0.065,607 0.011,608 0.124,609 -0.065,610 0.027,611 0.03,612 -0.038,613 0.002,614 -0.139,615 -0.029,616 -0.108,617 0.03,618 -0.111,619 0.056,620 -0.048,621 0.082,622 0.001,623 0.049,624 0.028,625 -0.065,626 -0.072,627 -0.11,628 -0.107,629 -0.079,630 -0.103,631 -0.078,632 -0.027,633 -0.155,634 -0.085,635 -0.153,636 -0.118,637 0.018,638 -0.081,639 -0.116,640 -0.14,641 -0.063,642 -0.108,643 1.763,644 4.547,645 0.839,646 32.243,647 1.002,648 1.124,649 2.685,650 7.209,651 0.682,652 3.584,653 3.932,654 4.22,655 4.5,656 4.804,657 4.852,658 4.942,659 5.063,660 5.193,661 5.17,662 7.937,663 0.645,664 436.98,665 3.584,666 5.142,667 6.004,668 6.891,669 7.769,670 8.657,671 9.541,672 10.431,673 11.317,674 12.207,675 7.1,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 56,716 18,717 2,718 35,720 60,721 24,722 15,723 7,724 5,730 5,731 7,732 1,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,764 25,765 6,766 1,767 7,768 1,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,824 1,827 31,833 7,834 1,835 1,838 2,846 1,847 3.6,850 1,852 1,854 15.167,855 10.41,856 6.639,857 3.477,858 3.467,859 1.414,860 1.019,861 5.741,862 11.845,863 3.818,864 4.431,865 5.011,866 5.604,867 6.201,868 6.455,869 6.749,870 7.061,871 7.369,872 7.246,873 0.889,874 52,875 11.478,877 4.941,878 7.616,879 22.373,881 18.928,883 2.116,884 65.611,887 1,888 282.506,889 122.436,890 41.045,891 39.149,892 36.145,895 122.436,896 357.8,897 41.045,898 8.825,899 35.666,900 66.334,901 46.635,902 42.165,904 282.506,905 39.149,906 282.506,907 163.481,908 36.145,909 39.149,911 258.964,912 59.687,915 52.517,916 94.179,917 55.934,919 282.506,920 77.19,921 161.585,924 282.506,925 47.277,926 81.408,927 18.011,928 92.079,929 282.506,930 77.19,931 161.585,933 0.59,934 0.344,935 0.187,936 0.113,937 26,938 11,939 0.067,940 4,941 2,942 1.154,943 4.351,944 284.16,945 0.154,946 26,947 147.58,951 20.559,952 8.656,953 4.357,954 1.995,955 77.19,956 14.3,957 4.64,961 5.611,963 18.011,964 521.281,965 44.5,970 11.547,974 -0.096,975 56.105,976 62.923,977 0.274,978 0.624,979 0.798,980 0.905,981 0.905,982 0.905,983 5.077,984 1.82,985 5.994,986 5.779,987 4.615,988 5.118,989 2.452,990 6.808,991 4.515,992 6.279,993 1.569,994 7.553,995 5.48,996 4.205,997 4.987,998 1.738,999 7.695,1000 4.044,1001 7.591,1002 1.433,1003 9.208,1004 4.279,1005 6.217,1006 7.328,1007 3.301,1008 10.795,1009 6.027,1010 8.934,1011 1,1012 10.919,1013 3.867,1014 6.594,1015 8.021,1016 3.226,1017 12.518,1018 6.344,1019 10.309,1020 0.997,1021 12.668,1022 2.521,1023 8.083,1024 9.87,1025 4.5,1026 15.147,1027 7.806,1028 11.707,1029 0.861,1030 14.443,1031 2.275,1032 8.842,1033 10.97,1034 4.754,1035 17.243,1036 8.51,1037 13.124,1038 0.62,1039 16.24,1040 2.003,1041 10.114,1042 12.618,1043 5.815,1044 19.713,1045 9.752,1046 3.2,1047 0.134,1048 18.053,1049 1.494,1050 11.065,1051 13.926,1052 6.249,1053 21.975,1054 10.654,1055 2.961,1056 11.183,1057 19.879,1058 0.313,1059 12.248,1060 15.488,1061 7.175,1062 24.393,1063 11.803,1064 2.701,1065 9.342,1066 21.718,1067 4.568,1068 13.294,1069 16.899,1070 7.714,1071 26.73,1072 12.805,1073 2.449,1074 8.583,1075 23.566,1076 3.93,1077 14.443,1078 18.427,1079 8.557,1080 29.133,1081 13.919,1082 2.291,1083 7.088,1084 25.422,1085 3.273,1086 15.538,1087 19.889,1088 9.16,1089 31.506,1090 14.971,1091 2.218,1092 6.583,1093 27.286,1094 3.028,1095 16.677,1096 21.404,1097 9.952,1098 33.907,1099 16.073,1100 2.044,1101 5.942,1102 29.155,1103 2.962,1104 17.795,1105 22.891,1106 10.594,1107 36.297,1108 17.15,1109 14055,1110 23123,1111 23.868,1112 38.165,1113 52.743,1114 54.458,1115 53.927,1116 52.596,1117 52.595,1118 66.678,1119 9.327,1120 153.461,1121 49.827,1122 5.622,1123 5.653,1124 6.208,1125 5.268,1126 5.2,1127 7.568,1128 3.634,1129 18.556,1130 5.069,1131 13.278,1132 1.507,1133 1.556,1134 1.541,1135 1.503,1136 1.503,1137 1.905,1138 0.266,1139 4.385,1140 1.424,1141 4.098,1142 4.129,1143 4.135,1144 4.024,1145 7.429,1146 4.029,1147 3.979,1148 4.005,1149 3.932,1150 3.887,1151 5.059,1152 3.892,1153 3.79,1154 3.857,1155 3.7,1156 3.599,1157 4.846,1158 3.61,1159 3.557,1160 3.602,1161 3.581,1162 3.428,1163 4.607,1164 3.421,1165 3.502,1166 3.544,1167 3.464,1168 3.333,1169 4.414,1170 3.353,1171 3.284,1172 3.346,1173 3.293,1174 3.115,1175 4.292,1176 3.115,1177 3.111,1178 3.206,1179 3.074,1180 2.967,1181 4.141,1182 2.951,1183 3.09,1184 3.158,1185 2.866,1186 2.941,1187 3.882,1188 2.91,1189 0.132,1190 0.104,1191 0.194,1192 0.119,1193 0.091,1194 4.622,1195 0.131,1196 3.653,1197 0.058,1198 6.794,1199 0.32,1200 4.16,1201 0.088,1202 3.2,1203 4.568,1204 2.03,1205 11.183,1206 3.069,1207 2.044,1208 2.022,1209 2.109,1210 2.14,1211 1.358,1212 2.136,1213 1.938,1214 1.913,1215 2.046,1216 2.059,1217 1.241,1218 2.054,1219 1.744,1220 1.676,1221 1.932,1222 1.955,1223 1.151,1224 1.952,1225 1.526,1226 1.481,1227 1.722,1228 1.714,1229 0.904,1230 1.714,1231 1.459,1232 1.419,1233 1.667,1234 1.638,1235 0.825,1236 1.657,1237 1.262,1238 1.202,1239 1.513,1240 1.469,1241 0.802,1242 1.489,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.692,1248 1.429,1249 1.106,1250 1.038,1251 1.411,1252 1.295,1253 0.471,1254 1.342,1255 4.263,1257 5.602,1259 7.143,1261 8.776,1263 10.459,1265 1.991,1266 6.395,1271 5.981,1272 2.885,1273 5.443,1276 4.92,1280 36.137,1281 89.076,1282 202.812,1283 259.586,1284 294.457,1285 294.457,1286 294.457,1287 44.307,1288 8.377,1289 57.7,1290 57.7,1291 30,1292 12.737,1293 4.248,1294 3.392,1295 44.039,1296 153,1297 126,1298 0.141,1299 221.176,1300 382.29,1301 531.429,1302 60924,1303 1.8,1304 21.372,1305 0.689,1306 0.59,1307 21.872,1308 18.283,1309 15.064,1310 0.43,1311 0.315,1312 10.545,1313 14.245,1314 10.263,1315 8.409,1316 15.352,1317 11.032,1318 13.94,1319 0.279,1320 0.171,1321 14.311,1322 8.569,1323 11.917,1324 0.178,1325 0.095,1326 12.276,1327 6.336,1328 9.968,1329 0.112,1330 0.051,1331 10.243,1332 4.534,1333 8.847,1334 0.073,1335 0.028,1336 9.179,1337 3.438,1338 0.229,1339 97.047,1340 0.205,1341 29.619,1342 0.368,1343 170,1344 462.943,1345 199.88,1346 476.418,1347 650.2,1348 448,1349 202,1350 460.954,1351 229.618,1352 475.767,1353 701.48,1354 449,1355 9.699} {0 CHEMBL49826,1 1.192,2 7.35,3 4.408,4 19.434,5 86.318,6 5.88,7 0.455,8 3.88,9 4.029,10 3.259,11 3.43,12 4.74,13 3.353,14 4.487,15 4.71,16 3.655,17 3.885,18 5.229,19 3.784,20 4.759,21 4.991,22 3.62,23 4.075,24 5.504,25 3.909,26 4.95,27 5.255,28 3.473,29 4.065,30 5.575,31 3.842,32 4.79,33 5.109,34 3.42,35 3.894,36 5.387,37 3.692,38 4.531,39 4.775,40 3.438,41 3.8,42 5.281,43 3.648,44 4.605,45 4.879,46 3.043,47 3.723,48 5.295,49 3.501,50 4.539,51 4.896,52 2.823,53 3.489,54 5.01,55 3.223,56 0.062,57 0.656,58 11.606,59 4.616,60 8.138,61 6.855,62 0.134,63 1.108,64 20.697,65 7.832,66 12.361,67 11.824,68 0.151,69 1.384,70 26.606,71 10.766,72 19.528,73 15.87,74 0.169,75 1.481,76 30.52,77 12.427,78 23.272,79 18.301,80 0.174,81 1.255,82 25.944,83 10.378,84 18.283,85 15.321,86 0.133,87 1.098,88 21.216,89 7.931,90 16.335,91 12.054,92 0.182,93 1.109,94 22.529,95 7.79,96 19.013,97 12.147,98 0.11,99 0.89,100 19.406,101 7.762,102 12.734,103 11.514,104 18,105 33,106 0.208,107 0.533,108 0.756,109 0.79,110 0.79,111 0.79,112 3.059,113 1.058,114 -4.51,115 -4.43,116 -4.17,119 39.1,120 3,121 3,123 1,124 1,125 1,127 1,140 3,141 3,149 1,150 1,169 11,172 3,176 3,178 15,182 1,186 3,189 15,193 1,197 1,199 12,203 1,206 1,208 2,211 7,215 2,220 4,222 6,226 2,233 4,237 3,244 5,256 3,259 466,260 12.988,261 12.988,262 12.988,263 12.988,264 12.988,265 11.897,266 15.967,267 7.346,268 13.152,269 10.85,270 10.85,271 10.85,272 10.85,273 10.85,274 9.14,275 17.236,276 3.478,277 11.111,278 4.332,279 2.473,280 1.191,281 1.001,282 1.001,283 1.001,284 3.729,288 1,289 1,290 312,291 3.162,294 91.477,295 47.94,298 74.575,302 1.25,303 7.269,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 41,315 147,316 4.609,317 3.552,318 7.123,319 4.34,320 3.342,321 4.517,322 0.8,323 11.739,324 3.338,325 4.306,326 3.195,327 6.532,328 4.027,329 3.043,330 3.586,332 10.288,333 2.997,334 3.82,335 2.964,336 6.036,337 3.725,338 2.776,339 2.89,341 8.613,342 2.634,343 3.344,344 2.156,345 5.117,346 2.97,347 1.985,348 2.611,350 5.953,351 1.954,352 3.035,353 1.653,354 4.641,355 2.624,356 1.643,357 2.213,359 4.854,360 1.609,361 2.677,362 1.454,363 4.205,364 2.309,365 1.335,366 1.747,368 3.641,369 1.299,370 2.334,371 1.231,372 3.968,373 2.127,374 1.158,375 1.316,377 3.078,378 1.119,379 2.132,380 1.138,381 3.417,382 2.067,383 1.087,384 1.12,386 2.384,387 1.064,388 2.034,389 0.734,390 3.265,391 1.618,392 0.656,393 0.893,395 1.603,396 0.63,397 1.045,398 0.001,399 2.84,400 0.835,401 -0.148,402 -0.167,404 -0.387,405 -0.145,406 0.714,407 -0.398,408 2.724,409 0.369,410 -0.602,411 -0.699,413 -1.456,414 -0.581,415 0.561,416 -0.668,417 2.205,418 0.166,419 -0.819,420 -1,422 -2.409,423 -0.804,424 0.189,425 -0.916,426 2,428 -1,429 -1,431 -2.794,432 -0.968,434 -1,435 2,437 -1,438 -1.033,440 -3,441 -1,443 -1,444 2,445 -0.033,446 -1,447 -1.326,449 -3,450 -1,451 9.8,452 0.49,453 0.723,454 0.036,455 20.25,456 1.013,457 8,458 0.4,459 12.25,460 0.613,461 20.925,462 1.046,463 22.6,464 0.491,465 11.573,466 0.579,467 3.354,468 0.168,469 6.095,470 0.305,471 0.204,472 0.051,473 0.296,479 1.126,480 1.378,481 1.057,482 1.189,483 1.304,484 1.131,485 1.39,486 0.986,487 0.933,488 0.876,489 0.683,490 0.878,491 1.165,492 1.245,493 1.272,494 1.279,495 1.11,496 1.281,497 0.734,498 0.984,499 0.958,500 1.009,501 1.069,502 0.999,503 0.584,504 0.822,505 0.751,506 0.812,507 0.797,508 0.795,509 1.242,510 1.341,511 1.143,512 1.215,513 1.044,514 1.18,515 2.153,516 1.199,517 1.532,518 1.273,519 2.017,520 1.35,521 0.498,522 0.758,523 0.678,524 0.746,525 0.534,526 0.727,527 5.5,529 3.111,530 1.549,531 0.883,532 0.889,533 0.442,534 0.234,535 0.221,536 0.074,537 3542,538 5520,539 2.036,540 56.5,541 9,542 9,543 1,545 1,547 6,550 1.62,551 1.86,552 2.905,553 -0.419,555 1,559 54.814,560 1.192,561 3.051,562 4.332,563 4.523,564 4.523,565 4.523,566 2.228,567 4.084,568 4.296,569 3.069,570 583.047,571 7.349,572 5901.36,574 1,576 1,577 254.084,578 1.72,579 4.22,580 0.25,582 0.094,583 0.053,584 0.037,585 0.037,586 0.018,587 0.018,588 0.018,589 0.008,590 0.535,591 0.83,592 1,593 0.897,594 87.359,595 0.076,596 -0.107,597 0.069,598 -0.011,599 -0.127,600 0.021,601 -0.032,602 0.171,603 0.144,604 0.187,605 0.255,606 0.178,607 -0.177,608 -0.146,609 -0.241,610 -0.21,611 -0.089,612 -0.226,613 0.015,614 -0.047,615 -0.007,616 -0.029,617 -0.075,618 -0.021,619 0.239,620 0.099,621 0.198,622 0.146,623 0.105,624 0.165,625 -0.003,626 -0.25,627 -0.102,628 -0.187,629 0.067,630 -0.157,631 -0.495,632 -0.127,633 -0.493,634 -0.329,635 -0.649,636 -0.396,637 0.175,638 0.07,639 0.223,640 0.162,641 0.228,642 0.19,643 1.035,644 0.937,645 0.7,646 13.13,647 0.974,648 1.13,649 3.276,650 10.734,651 0.634,652 3.135,653 3.526,654 3.761,655 3.989,656 4.143,657 4.304,658 4.419,659 4.477,660 4.419,661 4.344,662 4.811,663 0.573,664 270.46,665 3.135,666 4.71,667 5.565,668 6.466,669 7.343,670 8.245,671 9.129,672 10.031,673 10.92,674 11.822,675 4.3,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 46,716 10,717 1,718 22,720 48,721 18,722 8,723 3,724 3,730 3,731 4,736 3,737 1,740 3,743 4,745 8,746 10,761 1,764 26,765 1,766 1,767 2,773 2,777 0.667,788 1,789 1,792 2,793 1,796 1,815 1,819 2,823 4,827 20,833 4,837 1,838 1,839 1,854 10.75,855 9.367,856 4.167,857 2.936,858 2.08,859 1.309,860 0.957,861 3.472,862 8.812,863 3.332,864 3.956,865 4.539,866 5.131,867 5.632,868 6.037,869 6.426,870 6.723,871 6.643,872 6.691,873 0.8,874 29,875 7.437,877 3.112,878 7.288,879 15.121,881 13.036,883 1.788,884 35.75,885 0.003,888 294.278,889 93.146,890 19.91,895 93.146,896 294.278,897 19.91,898 34.872,899 9.709,900 37.476,902 28.854,903 13.915,904 282.506,906 294.278,907 113.056,911 223.651,912 70.627,915 56.095,916 56.961,919 294.278,920 19.91,921 93.146,924 294.278,925 20.798,926 75.472,927 16.786,929 294.278,930 19.91,931 93.146,933 0.607,934 0.34,935 0.165,936 0.083,937 18,938 8,939 0.063,940 3,941 1,942 1.143,943 3.166,944 154.505,945 0.143,946 14,947 81.684,951 13.847,952 5.014,953 2.709,954 2.686,955 3.124,956 9.085,958 3.437,961 2.899,963 16.786,964 407.333,965 27,975 44.807,976 51.979,977 0.216,978 0.552,979 0.784,980 0.819,981 0.819,982 0.819,983 4.62,984 1.087,985 5.624,986 3.078,987 4.205,988 4.64,989 0.673,990 6.506,991 4.163,992 5.857,993 0.656,994 7.244,995 2.384,996 4.111,997 4.649,998 0.325,999 7.751,1000 4.063,1001 7.201,1002 -0.148,1003 8.974,1004 1.603,1005 5.938,1006 6.887,1007 0.379,1008 10.744,1009 5.869,1010 8.582,1011 -0.602,1012 10.77,1013 -0.387,1014 6.621,1015 7.714,1016 0.268,1017 12.749,1018 6.551,1019 9.996,1020 -0.819,1021 12.605,1022 -1.456,1023 8.007,1024 9.503,1025 0.239,1026 15.342,1027 7.924,1028 11.432,1029 -1,1030 14.468,1031 -2.409,1032 8.988,1033 10.694,1034 0.188,1035 17.614,1036 8.905,1037 12.885,1038 -1,1039 16.348,1040 -2.794,1041 10.229,1042 12.31,1043 0.156,1044 20.093,1045 10.14,1046 3.342,1047 -1,1048 18.243,1049 -3,1050 11.326,1051 13.67,1052 0.125,1053 22.464,1054 11.238,1055 3.043,1056 11.739,1057 20.147,1058 -3,1059 12.519,1060 15.216,1061 0.102,1062 24.911,1063 12.429,1064 2.776,1065 10.288,1066 22.059,1067 4.517,1068 13.663,1069 16.655,1070 0.082,1071 27.324,1072 13.575,1073 1.985,1074 8.613,1075 23.978,1076 3.586,1077 14.844,1078 18.174,1079 0.066,1080 29.765,1081 14.756,1082 1.643,1083 5.953,1084 25.902,1085 2.89,1086 16.009,1087 19.648,1088 0.054,1089 32.196,1090 15.923,1091 1.335,1092 4.854,1093 27.83,1094 2.611,1095 17.189,1096 21.157,1097 0.043,1098 34.639,1099 17.105,1100 1.158,1101 3.641,1102 29.762,1103 2.213,1104 18.365,1105 22.648,1106 0.035,1107 37.08,1108 18.283,1109 3513,1110 4460,1111 14.216,1112 29.148,1113 34.49,1114 34.06,1115 34.606,1116 34.026,1117 34.051,1118 41.788,1119 1.6,1120 104.305,1121 33.287,1122 5.542,1123 5.552,1124 6.642,1125 5.368,1126 5.342,1127 7.517,1128 1.2,1129 18.789,1130 5.338,1131 10.692,1132 1.568,1133 1.548,1134 1.573,1135 1.547,1136 1.548,1137 1.899,1138 0.073,1139 4.741,1140 1.513,1141 4.149,1142 4.183,1143 4.104,1144 4.074,1145 4.962,1146 4.077,1147 3.856,1148 3.921,1149 3.737,1150 3.716,1151 4.414,1152 3.712,1153 3.712,1154 3.772,1155 3.592,1156 3.593,1157 4.362,1158 3.586,1159 3.305,1160 3.367,1161 3.157,1162 3.195,1163 4.049,1164 3.178,1165 3.136,1166 3.249,1167 2.909,1168 2.9,1169 3.773,1170 2.879,1171 3.079,1172 3.17,1173 2.874,1174 2.88,1175 3.694,1176 2.874,1177 2.874,1178 3.009,1179 2.68,1180 2.725,1181 3.467,1182 2.706,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.21,1190 0.161,1191 0.324,1192 0.197,1193 0.152,1194 4.609,1195 0.205,1196 3.552,1197 0.036,1198 7.123,1199 0.534,1200 4.34,1201 0.152,1202 3.342,1203 4.517,1204 0.8,1205 11.739,1206 3.338,1207 1.991,1208 1.968,1209 2.1,1210 2.064,1211 1.345,1212 2.077,1213 1.719,1214 1.668,1215 1.924,1216 1.881,1217 1.264,1218 1.894,1219 1.615,1220 1.555,1221 1.839,1222 1.793,1223 1.124,1224 1.811,1225 1.556,1226 1.48,1227 1.817,1228 1.767,1229 0.98,1230 1.795,1231 1.404,1232 1.332,1233 1.626,1234 1.615,1235 0.746,1236 1.627,1237 1.017,1238 0.923,1239 1.417,1240 1.278,1241 0.503,1242 1.324,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.386,1252 1.239,1253 0.469,1254 1.308,1255 3.807,1257 5.176,1258 3.045,1259 6.715,1260 5.352,1261 8.33,1262 7.38,1263 9.986,1265 9.106,1271 5.1,1275 0.715,1276 2.506,1277 0.215,1280 26.364,1281 54.814,1282 140.335,1283 199.29,1284 208.045,1285 208.045,1286 208.045,1287 25.656,1288 6.732,1289 19.03,1290 19.03,1291 16,1292 12.345,1293 3.459,1294 2.585,1295 29.881,1296 57,1297 46,1298 0.264,1299 163.131,1300 272.52,1301 389.801,1302 6460,1304 14.328,1305 0.716,1306 0.658,1307 14.328,1308 13.162,1309 9.449,1310 0.429,1311 0.353,1312 7.705,1313 9.273,1314 7.297,1315 6.155,1316 9.449,1317 7.757,1318 9.541,1319 0.289,1320 0.221,1321 9.541,1322 7.305,1323 7.431,1324 0.177,1325 0.113,1326 7.431,1327 4.761,1328 5.887,1329 0.111,1330 0.062,1331 5.887,1332 3.305,1333 4.322,1334 0.07,1335 0.034,1336 4.322,1337 2.079,1338 0.4,1339 57.805,1340 0.265,1341 19.562,1342 0.765,1343 110,1344 191.978,1345 113.802,1346 197.292,1347 282.76,1348 186,1349 130,1350 219.085,1351 134.496,1352 231.318,1353 335.48,1354 215,1355 9.602} {0 CHEMBL498354,1 1.382,2 15.438,3 4.866,4 23.677,5 128.148,6 6.64,7 0.486,8 4.239,9 4.368,10 3.712,11 3.788,12 5.222,13 3.74,14 4.811,15 5.004,16 4.042,17 4.179,18 5.734,19 4.102,20 5.1,21 5.333,22 4.084,23 4.334,24 5.982,25 4.223,26 5.151,27 5.406,28 3.983,29 4.322,30 5.975,31 4.175,32 5.126,33 5.391,34 3.899,35 4.271,36 5.91,37 4.117,38 5.052,39 5.312,40 3.835,41 4.21,42 5.829,43 4.051,44 5.019,45 5.291,46 3.75,47 4.146,48 5.773,49 3.985,50 4.938,51 5.204,52 3.71,53 4.107,54 5.683,55 3.943,56 0.056,57 0.913,58 14.958,59 6.334,60 8.388,61 8.798,62 0.239,63 1.503,64 27.654,65 10.437,66 24.561,67 14.937,68 0.41,69 1.879,70 37.861,71 13.42,72 44.242,73 19.379,74 0.367,75 1.882,76 39.796,77 15.006,78 45.337,79 21.472,80 0.35,81 1.801,82 39,83 14.575,84 42.351,85 20.824,86 0.274,87 1.713,88 35.884,89 13.543,90 36.395,91 19.57,92 0.364,93 1.66,94 35.166,95 12.5,96 38.294,97 18.29,98 0.269,99 1.544,100 31.972,101 12.116,102 26.963,103 17.573,104 13,105 47,106 0.22,107 0.543,108 0.769,109 0.863,110 0.868,111 0.868,112 3.501,113 1.004,114 -4.56,115 -4.48,116 -4.22,119 41.5,120 2,121 4,122 1,125 4,140 9,141 2,142 2,144 2,156 1,169 13,172 9,174 1,176 3,178 15,181 1,182 6,186 3,189 11,192 1,193 6,197 2,199 13,203 7,208 1,211 9,215 8,220 2,222 7,225 1,226 5,233 7,237 4,240 1,244 9,249 5,256 10,259 1840,260 21.903,261 21.903,262 21.903,263 21.903,264 21.903,265 19.713,266 25.836,267 13.124,268 22.245,269 17.258,270 17.258,271 17.258,272 17.258,273 17.258,274 13.92,275 29.235,276 6.221,277 17.791,278 4.64,279 2.613,280 1.193,281 0.608,282 0.577,283 0.577,284 4.202,288 1,289 1,290 1067,291 3.606,295 420.701,299 163.453,302 2.508,303 20.738,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 67.5,315 494,316 4.516,317 3.586,318 6.517,319 4.026,320 3.054,321 4.458,322 1.907,323 10.248,324 2.968,325 4.108,326 3.185,327 5.717,328 3.776,329 2.789,330 3.688,331 0.86,332 8.104,333 2.755,334 3.724,335 2.941,336 5.482,337 3.582,338 2.618,339 3.17,340 0.8,341 7.376,342 2.529,343 3.706,344 2.8,345 5.325,346 3.345,347 2.375,348 2.894,349 0.149,350 6.764,351 2.307,352 3.579,353 2.602,354 5.25,355 3.284,356 2.326,357 2.653,359 6.679,360 2.218,361 3.314,362 2.385,363 4.95,364 3.098,365 2.112,366 2.621,368 5.83,369 2.058,370 3.278,371 2.155,372 4.813,373 2.851,374 1.891,375 2.437,377 5.292,378 1.809,379 3.035,380 1.982,381 4.618,382 2.766,383 1.772,384 2.219,386 4.879,387 1.754,388 2.987,389 1.598,390 4.196,391 2.512,392 1.524,393 2.085,395 3.817,396 1.504,397 2.658,398 1.462,399 3.529,400 2.199,401 1.235,402 1.727,404 2.721,405 1.195,406 2.49,407 1.246,408 3.491,409 2.148,410 1.183,411 1.487,413 2.611,414 1.126,415 2.137,416 1.077,417 3.414,418 1.984,419 1,420 1.08,422 2.275,423 0.983,424 2,425 1.01,426 3.312,427 1.835,428 0.865,429 1,431 1.999,432 0.836,433 1.507,434 0.963,435 2.961,436 1.383,437 0.384,438 0.41,440 0.627,441 0.381,442 1.384,443 0.467,444 2.812,445 1.209,446 0.25,447 0.273,449 0.552,450 0.238,451 15.367,452 0.48,453 0.656,454 0.021,455 38.5,456 1.203,457 18.5,458 0.578,459 20,460 0.625,461 30.281,462 0.946,463 35.033,464 0.539,465 26.986,466 0.843,467 7.226,468 0.226,469 8.376,470 0.262,471 0.087,473 0.286,479 0.786,480 1.335,481 0.896,482 1.157,483 0.617,484 1.053,485 0.984,486 1.183,487 0.968,488 1.059,489 0.601,490 1.014,491 1.278,492 0.999,493 1.092,494 0.983,495 1.061,496 1.006,497 0.992,498 1.024,499 1.018,500 1.059,501 0.913,502 1.046,503 1.127,504 0.947,505 1,506 0.972,507 0.91,508 0.978,509 0.928,510 1.117,511 1.026,512 1.098,513 0.782,514 1.079,515 1.112,516 0.968,517 1.074,518 0.971,519 1.002,520 1.01,521 0.812,522 1.012,523 1.025,524 1.053,525 0.795,526 1.059,527 6.5,528 0.177,529 2.667,530 1.75,531 1.351,532 0.708,533 0.604,534 0.354,535 0.234,536 0.171,537 17101,538 37906,539 2.101,540 50.8,541 6,542 17,545 1,546 5,547 4,550 1.736,551 2,552 3.869,553 -0.434,559 89.852,560 1.382,561 3.409,562 4.829,563 5.415,564 5.445,565 5.445,566 3.379,567 4.789,568 4.973,569 4.078,570 2022.82,571 8.65,572 32316.4,577 391.454,578 1.259,579 4.947,580 0.186,581 0.008,582 0.057,583 0.037,584 0.033,585 0.019,586 0.017,587 0.011,588 0.008,589 0.006,590 0.381,591 0.33,592 1,593 0.945,594 173.901,595 0.012,596 -0.13,597 0.062,598 -0.041,599 -0.004,600 0.006,601 0.029,602 -0.064,603 0.019,604 -0.028,605 0.093,606 -0.01,607 -0.091,608 0.054,609 -0.086,610 -0.003,611 -0.043,612 -0.035,613 0.01,614 -0.05,615 -0.035,616 -0.065,617 0.026,618 -0.056,619 -0.073,620 0.002,621 -0.012,622 0.013,623 -0.046,624 0.008,625 -0.032,626 -0.148,627 -0.052,628 -0.105,629 -0.036,630 -0.087,631 -0.093,632 0.016,633 -0.083,634 -0.011,635 -0.12,636 -0.043,637 -0.011,638 -0.029,639 -0.058,640 -0.065,641 -0.052,642 -0.067,643 1.604,644 4.643,645 0.688,646 38.594,647 0.988,648 1.125,649 3.326,650 11.066,651 0.651,652 3.584,653 3.871,654 4.094,655 4.331,656 4.554,657 4.554,658 4.615,659 4.718,660 4.762,661 4.779,662 8.938,663 0.606,664 431.63,665 3.584,666 5.106,667 5.932,668 6.788,669 7.628,670 8.488,671 9.333,672 10.195,673 11.043,674 11.906,675 4.6,678 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 65,716 18,717 2,718 35,720 68,721 27,722 15,723 5,724 7,730 4,731 5,736 2,740 2,741 1,743 4,745 16,746 11,747 1,750 1,755 1,759 1,764 33,765 5,766 1,767 5,773 3,777 0.75,778 2,786 1,793 4,797 1,805 1,815 1,819 3,823 2,827 32,833 8,834 1,835 1,837 1,838 1,847 3.1,850 1,852 1,854 16,855 12.067,856 7.139,857 4.289,858 3.35,859 1.421,860 0.974,861 7.647,862 11.308,863 3.818,864 4.369,865 4.892,866 5.455,867 5.998,868 6.183,869 6.444,870 6.762,871 6.964,872 6.699,873 1,874 47,875 11.872,877 4.927,878 7.531,879 23.428,881 19.343,883 2.031,884 65,888 376.675,889 147.349,890 37.921,892 36.145,895 147.349,896 412.82,897 37.921,898 17.65,899 39.058,900 85.286,901 46.635,902 32.784,904 376.675,906 376.675,907 185.269,908 36.145,911 329.591,912 83.229,915 64.734,916 103.75,917 16.786,919 376.675,920 74.065,921 147.349,924 376.675,925 44.412,926 106.061,927 18.011,928 52.93,929 376.675,930 74.065,931 147.349,933 0.571,934 0.325,935 0.173,936 0.097,937 21,938 9,939 0.118,940 8,941 1,942 1.091,943 4.531,944 273.186,945 0.091,946 22,947 152,951 22.604,952 10.826,953 6.238,954 2.066,955 74.065,956 18.504,957 4.59,961 4.151,963 18.011,964 598.089,965 44.5,970 11.643,974 0.063,975 64.214,976 73.142,977 0.23,978 0.566,979 0.802,980 0.899,981 0.904,982 0.904,983 5.039,984 1.772,985 5.889,986 5.292,987 4.554,988 5.056,989 2.25,990 6.632,991 4.497,992 6.209,993 1.524,994 7.401,995 4.879,996 4.007,997 4.783,998 1.668,999 7.368,1000 3.929,1001 7.49,1002 1.235,1003 9.005,1004 3.817,1005 6.084,1006 7.202,1007 2.986,1008 10.431,1009 5.972,1010 8.802,1011 1.183,1012 10.665,1013 2.721,1014 6.33,1015 7.771,1016 3.047,1017 12.007,1018 6.196,1019 10.146,1020 1,1021 12.361,1022 2.611,1023 7.857,1024 9.68,1025 4.056,1026 14.578,1027 7.694,1028 11.512,1029 0.865,1030 14.084,1031 2.275,1032 8.5,1033 10.689,1034 4.412,1035 16.549,1036 8.314,1037 12.898,1038 0.384,1039 15.828,1040 1.999,1041 9.781,1042 12.37,1043 5.254,1044 18.948,1045 9.57,1046 3.054,1047 0.25,1048 17.589,1049 0.627,1050 10.636,1051 13.616,1052 5.75,1053 21.109,1054 10.4,1055 2.789,1056 10.248,1057 19.364,1058 0.552,1059 11.804,1060 15.19,1061 6.502,1062 23.451,1063 11.544,1064 2.618,1065 8.104,1066 21.153,1067 4.458,1068 12.772,1069 16.558,1070 7.068,1071 25.7,1072 12.486,1073 2.375,1074 7.376,1075 22.952,1076 3.688,1077 13.89,1078 18.083,1079 7.771,1080 28.024,1081 13.58,1082 2.326,1083 6.764,1084 24.762,1085 3.17,1086 14.918,1087 19.513,1088 8.374,1089 30.314,1090 14.581,1091 2.112,1092 6.679,1093 26.58,1094 2.894,1095 16.018,1096 21.017,1097 9.051,1098 32.635,1099 15.655,1100 1.891,1101 5.83,1102 28.407,1103 2.653,1104 17.078,1105 22.478,1106 9.674,1107 34.943,1108 16.687,1109 16190,1110 24219,1111 23.75,1112 42.347,1113 50.702,1114 52.216,1115 52.204,1116 50.766,1117 50.76,1118 64.398,1119 7.432,1120 139.548,1121 49.319,1122 5.516,1123 5.586,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 3.306,1129 17.078,1130 4.968,1131 14.017,1132 1.449,1133 1.492,1134 1.492,1135 1.45,1136 1.45,1137 1.84,1138 0.212,1139 3.987,1140 1.409,1141 4.079,1142 4.105,1143 4.038,1144 4.001,1145 7.429,1146 4.007,1147 3.977,1148 4.016,1149 3.902,1150 3.899,1151 5.016,1152 3.894,1153 3.823,1154 3.879,1155 3.713,1156 3.684,1157 4.747,1158 3.682,1159 3.617,1160 3.669,1161 3.504,1162 3.437,1163 4.58,1164 3.441,1165 3.547,1166 3.593,1167 3.445,1168 3.428,1169 4.329,1170 3.424,1171 3.438,1172 3.502,1173 3.289,1174 3.276,1175 4.213,1176 3.271,1177 3.172,1178 3.244,1179 3.027,1180 2.998,1181 4.05,1182 2.994,1183 3.111,1184 3.206,1185 2.917,1186 2.941,1187 3.893,1188 2.92,1189 0.129,1190 0.102,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.586,1197 0.054,1198 6.517,1199 0.293,1200 4.026,1201 0.085,1202 3.054,1203 4.458,1204 1.907,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.121,1213 1.957,1214 1.923,1215 2.102,1216 2.072,1217 1.222,1218 2.087,1219 1.806,1220 1.752,1221 1.977,1222 1.968,1223 1.149,1224 1.973,1225 1.583,1226 1.527,1227 1.849,1228 1.792,1229 1.025,1230 1.809,1231 1.538,1232 1.493,1233 1.751,1234 1.707,1235 0.986,1236 1.723,1237 1.437,1238 1.373,1239 1.698,1240 1.622,1241 0.825,1242 1.652,1243 1.159,1244 1.092,1245 1.513,1246 1.392,1247 0.805,1248 1.429,1249 1.153,1250 1.064,1251 1.449,1252 1.376,1253 0.697,1254 1.411,1255 4.263,1257 5.557,1259 7.043,1261 8.618,1263 10.24,1265 3.885,1271 7.822,1272 2.962,1273 6.122,1275 0.691,1276 2.502,1280 39.396,1281 89.852,1282 221.598,1283 313.905,1284 351.944,1285 353.944,1286 353.944,1287 52.722,1288 7.959,1289 54.46,1290 54.46,1291 24,1292 12.457,1293 4.248,1294 3.392,1295 52.401,1296 176,1297 160,1298 0.143,1299 242.219,1300 420.34,1301 582.774,1302 39083,1304 22.338,1305 0.698,1306 0.598,1307 22.338,1308 19.141,1309 15.602,1310 0.446,1311 0.335,1312 11.597,1313 15.16,1314 11.266,1315 9.361,1316 15.602,1317 11.708,1318 13.734,1319 0.292,1320 0.185,1321 13.734,1322 8.715,1323 11.203,1324 0.19,1325 0.106,1326 11.203,1327 6.26,1328 9.152,1329 0.122,1330 0.059,1331 9.152,1332 4.412,1333 7.536,1334 0.08,1335 0.035,1336 7.536,1337 3.255,1338 0.236,1339 96.525,1340 0.205,1341 30.914,1342 0.362,1343 164,1344 407.094,1345 175.946,1346 396.133,1347 547.4,1348 374,1349 188,1350 403.274,1351 199.699,1352 409.444,1353 594.11,1354 387,1355 9.2} {0 CHEMBL498355,1 1.369,2 15.576,3 5.328,4 28.392,5 132.723,6 6.554,7 0.472,8 4.28,9 4.41,10 3.741,11 3.827,12 5.255,13 3.775,14 4.856,15 5.052,16 4.079,17 4.225,18 5.764,19 4.146,20 5.151,21 5.381,22 4.134,23 4.386,24 6.045,25 4.272,26 5.235,27 5.499,28 4.014,29 4.366,30 6.07,31 4.216,32 5.159,33 5.425,34 3.941,35 4.309,36 5.94,37 4.156,38 5.088,39 5.343,40 3.887,41 4.268,42 5.878,43 4.109,44 5.091,45 5.365,46 3.807,47 4.217,48 5.836,49 4.051,50 4.997,51 5.261,52 3.75,53 4.172,54 5.739,55 4.002,56 0.062,57 0.952,58 15.829,59 6.68,60 9.583,61 9.327,62 0.248,63 1.569,64 29.144,65 11.026,66 26.943,67 15.848,68 0.4,69 1.98,70 39.849,71 14.263,72 45.934,73 20.67,74 0.454,75 2.009,76 43.647,77 15.832,78 57.026,79 22.81,80 0.355,81 1.859,82 40.187,83 15.075,84 43.049,85 21.593,86 0.274,87 1.79,88 37.099,89 14.159,90 37.583,91 20.445,92 0.375,93 1.772,94 37.627,95 13.522,96 40.368,97 19.834,98 0.274,99 1.639,100 33.823,101 12.953,102 28.015,103 18.793,104 20,105 49,106 0.216,107 0.539,108 0.766,109 0.845,110 0.849,111 0.849,112 3.531,113 1.008,114 -4.75,115 -4.67,116 -4.39,119 41.2,120 3,121 3,122 2,125 4,140 9,141 2,142 2,144 2,156 1,169 14,172 9,174 1,176 3,178 16,181 1,182 7,186 4,189 11,192 1,193 6,197 2,199 13,203 7,208 1,211 11,215 8,220 2,222 9,225 1,226 5,233 9,237 4,240 1,244 10,249 5,256 12,259 1977,260 22.239,261 22.239,262 22.239,263 22.239,264 22.239,265 20.074,266 27.049,267 13.238,268 22.585,269 17.788,270 17.788,271 17.788,272 17.788,273 17.788,274 14.489,275 31.431,276 6.325,277 18.326,278 4.719,279 2.675,280 1.24,281 0.739,282 0.71,283 0.71,284 4.229,289 1,290 1106,291 3.873,295 438.106,299 170.617,302 2.549,303 21.56,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 69.5,315 514,316 4.516,317 3.691,318 6.517,319 4.026,320 3.054,321 4.458,322 1.907,323 10.248,324 2.968,325 4.122,326 3.185,327 5.843,328 3.804,329 2.815,330 3.691,331 0.86,332 8.211,333 2.783,334 3.837,335 2.942,336 5.646,337 3.664,338 2.678,339 3.17,340 0.8,341 7.647,342 2.652,343 3.718,344 2.803,345 5.413,346 3.482,347 2.506,348 3.043,349 0.149,350 7.069,351 2.439,352 3.631,353 2.602,354 5.322,355 3.291,356 2.342,357 2.69,359 6.716,360 2.22,361 3.349,362 2.392,363 5.158,364 3.162,365 2.2,366 2.627,368 6.375,369 2.103,370 3.29,371 2.155,372 4.814,373 2.865,374 1.901,375 2.489,377 5.342,378 1.83,379 3.049,380 1.987,381 4.787,382 2.817,383 1.841,384 2.219,386 5.284,387 1.787,388 2.988,389 1.773,390 4.196,391 2.512,392 1.524,393 2.094,395 3.817,396 1.504,397 2.665,398 1.598,399 3.569,400 2.23,401 1.249,402 1.737,404 2.744,405 1.226,406 2.49,407 1.462,408 3.522,409 2.151,410 1.204,411 1.487,413 2.675,414 1.127,415 2.304,416 1.246,417 3.428,418 2.023,419 1,420 1.192,422 2.275,423 1.015,424 2.136,425 1.077,426 3.414,427 1.984,428 1,429 1.08,431 2.272,432 0.983,433 2,434 0.963,435 3.312,436 1.835,437 0.865,438 1,440 1.999,441 0.836,442 1.384,443 0.477,444 2.942,445 1.209,446 0.25,447 0.273,449 0.619,450 0.238,451 15.867,452 0.481,453 0.784,454 0.024,455 39,456 1.182,457 18.5,458 0.561,459 20.5,460 0.621,461 32.737,462 0.992,463 36.333,464 0.534,465 27.735,466 0.84,467 7.2,468 0.218,469 8.774,470 0.266,471 0.116,473 0.309,479 0.787,480 1.34,481 0.912,482 1.169,483 0.641,484 1.068,485 0.975,486 1.165,487 0.955,488 1.043,489 0.6,490 0.999,491 1.238,492 1.082,493 1.101,494 1.055,495 1.014,496 1.057,497 1.206,498 0.955,499 1.034,500 0.982,501 1.275,502 0.991,503 1.129,504 0.932,505 0.98,506 0.952,507 0.904,508 0.956,509 0.936,510 1.152,511 1.058,512 1.136,513 0.804,514 1.116,515 1.077,516 0.961,517 1.055,518 0.965,519 0.974,520 1,521 0.806,522 1.057,523 1.063,524 1.103,525 0.801,526 1.108,527 7,528 0.186,529 3.111,530 1.75,531 1.511,532 0.764,533 0.667,534 0.382,535 0.283,536 0.211,537 18530,538 39985,539 2.079,540 51.5,541 9,542 17,545 1,546 4,547 4,550 1.744,551 1.96,552 3.884,553 -0.442,559 93.062,560 1.369,561 3.412,562 4.848,563 5.348,564 5.378,565 5.378,566 3.389,567 4.597,568 5.018,569 4.112,570 2170.87,571 8.739,572 35604.2,577 413.947,578 1.35,579 4.982,580 0.194,581 0.007,582 0.063,583 0.036,584 0.036,585 0.019,586 0.018,587 0.011,588 0.009,589 0.007,590 0.401,591 0.33,592 1,593 0.98,594 181.185,595 0.015,596 -0.126,597 0.061,598 -0.039,599 -0.016,600 0.007,601 0.038,602 -0.042,603 0.04,604 -0.004,605 0.096,606 0.015,607 -0.061,608 -0.021,609 -0.093,610 -0.065,611 -0.002,612 -0.077,613 -0.038,614 0.013,615 -0.033,616 -0.008,617 -0.033,618 -0.017,619 -0.068,620 0.022,621 0.008,622 0.036,623 -0.034,624 0.03,625 -0.04,626 -0.166,627 -0.084,628 -0.133,629 -0.052,630 -0.118,631 -0.081,632 0.022,633 -0.067,634 -0.002,635 -0.109,636 -0.03,637 -0.017,638 -0.066,639 -0.097,640 -0.108,641 -0.067,642 -0.111,643 1.599,644 4.974,645 0.667,646 40.815,647 0.987,648 1.126,649 3.525,650 12.424,651 0.649,652 3.611,653 3.912,654 4.127,655 4.344,656 4.575,657 4.575,658 4.644,659 4.745,660 4.804,661 4.804,662 9.157,663 0.602,664 445.66,665 3.611,666 5.142,667 5.969,668 6.825,669 7.667,670 8.526,671 9.373,672 10.233,673 11.083,674 11.944,675 4.4,678 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 68,716 18,717 2,718 36,720 71,721 28,722 15,723 5,724 7,730 4,731 5,736 3,740 2,741 1,743 3,745 16,746 12,747 2,750 1,755 1,759 1,764 35,765 5,766 1,767 5,773 3,777 0.75,778 2,786 1,793 4,797 1,805 1,815 1,819 3,823 3,827 33,833 7,834 1,835 1,837 2,838 1,847 2.9,850 1,852 1,854 16.833,855 12.9,856 7.25,857 4.414,858 3.357,859 1.418,860 0.965,861 7.874,862 11.383,863 3.839,864 4.394,865 4.914,866 5.459,867 6.005,868 6.193,869 6.459,870 6.776,871 6.987,872 6.71,873 1,874 49,875 12.254,877 5.096,878 7.525,879 24.184,881 20.028,883 2.025,884 66.833,888 400.217,889 153.639,890 37.921,892 36.145,895 153.639,896 436.362,897 37.921,898 26.476,899 36.524,900 85.286,901 46.635,902 32.784,904 400.217,906 400.217,907 191.56,908 36.145,911 353.133,912 83.229,915 71.025,916 103.75,917 16.786,919 400.217,920 74.065,921 153.639,924 400.217,925 41.877,926 114.886,927 18.011,928 52.93,929 400.217,930 74.065,931 153.639,933 0.579,934 0.327,935 0.167,936 0.095,937 22,938 10,939 0.113,940 8,941 1,942 1.091,943 4.586,944 285.125,945 0.091,946 22,947 158.465,951 23.57,952 11.025,953 6.479,954 2.065,955 74.065,956 18.528,957 4.593,961 4.145,963 18.011,964 627.922,965 45.5,970 11.974,974 0.067,975 67.098,976 76.557,977 0.225,978 0.561,979 0.796,980 0.879,981 0.883,982 0.883,983 5.07,984 1.841,985 5.938,986 5.342,987 4.595,988 5.081,989 2.25,990 6.688,991 4.541,992 6.247,993 1.524,994 7.46,995 5.284,996 4.111,997 4.832,998 1.668,999 7.448,1000 4.04,1001 7.53,1002 1.249,1003 9.076,1004 3.817,1005 6.138,1006 7.223,1007 2.986,1008 10.501,1009 6.033,1010 8.844,1011 1.204,1012 10.747,1013 2.744,1014 6.431,1015 7.804,1016 3.047,1017 12.081,1018 6.314,1019 10.19,1020 1,1021 12.452,1022 2.675,1023 7.928,1024 9.698,1025 4.056,1026 14.646,1027 7.781,1028 11.558,1029 1,1030 14.183,1031 2.275,1032 8.6,1033 10.71,1034 4.412,1035 16.609,1036 8.439,1037 12.946,1038 0.865,1039 15.932,1040 2.272,1041 9.864,1042 12.384,1043 5.254,1044 19.003,1045 9.676,1046 3.054,1047 0.25,1048 17.697,1049 1.999,1050 10.733,1051 13.629,1052 5.75,1053 21.153,1054 10.528,1055 2.815,1056 10.248,1057 19.474,1058 0.619,1059 11.891,1060 15.199,1061 6.502,1062 23.489,1063 11.661,1064 2.678,1065 8.211,1066 21.262,1067 4.458,1068 12.864,1069 16.566,1070 7.068,1071 25.73,1072 12.613,1073 2.506,1074 7.647,1075 23.061,1076 3.691,1077 13.975,1078 18.089,1079 7.771,1080 28.05,1081 13.7,1082 2.342,1083 7.069,1084 24.867,1085 3.17,1086 15.003,1087 19.518,1088 8.374,1089 30.334,1090 14.704,1091 2.2,1092 6.716,1093 26.682,1094 3.043,1095 16.098,1096 21.02,1097 9.051,1098 32.652,1099 15.773,1100 1.901,1101 6.375,1102 28.504,1103 2.69,1104 17.155,1105 22.481,1106 9.674,1107 34.957,1108 16.804,1109 17591,1110 25962,1111 24.156,1112 44.108,1113 53.044,1114 54.329,1115 54.101,1116 52.862,1117 52.858,1118 66.497,1119 7.432,1120 146.583,1121 51.417,1122 5.516,1123 5.691,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 3.306,1129 17.078,1130 4.968,1131 16.416,1132 1.473,1133 1.509,1134 1.503,1135 1.468,1136 1.468,1137 1.847,1138 0.206,1139 4.072,1140 1.428,1141 4.079,1142 4.106,1143 4.039,1144 4.002,1145 7.428,1146 4.007,1147 3.979,1148 4.018,1149 3.905,1150 3.9,1151 5.016,1152 3.896,1153 3.826,1154 3.883,1155 3.716,1156 3.685,1157 4.747,1158 3.683,1159 3.688,1160 3.739,1161 3.573,1162 3.542,1163 4.58,1164 3.539,1165 3.549,1166 3.595,1167 3.447,1168 3.43,1169 4.329,1170 3.426,1171 3.441,1172 3.505,1173 3.293,1174 3.278,1175 4.213,1176 3.274,1177 3.188,1178 3.258,1179 3.045,1180 3.003,1181 4.159,1182 3.002,1183 3.111,1184 3.206,1185 2.954,1186 2.941,1187 3.906,1188 2.926,1189 0.125,1190 0.103,1191 0.181,1192 0.112,1193 0.085,1194 4.516,1195 0.124,1196 3.691,1197 0.053,1198 6.517,1199 0.285,1200 4.026,1201 0.082,1202 3.054,1203 4.458,1204 1.907,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.121,1213 1.958,1214 1.924,1215 2.102,1216 2.073,1217 1.222,1218 2.087,1219 1.808,1220 1.754,1221 1.984,1222 1.973,1223 1.158,1224 1.979,1225 1.672,1226 1.619,1227 1.915,1228 1.848,1229 1.109,1230 1.871,1231 1.538,1232 1.494,1233 1.752,1234 1.709,1235 0.996,1236 1.724,1237 1.439,1238 1.374,1239 1.698,1240 1.623,1241 0.825,1242 1.653,1243 1.164,1244 1.098,1245 1.513,1246 1.403,1247 0.805,1248 1.429,1249 1.153,1250 1.064,1251 1.45,1252 1.376,1253 0.698,1254 1.415,1255 4.29,1257 5.595,1259 7.086,1261 8.662,1263 10.283,1265 5.841,1271 7.3,1272 3.011,1273 6.13,1275 0.675,1276 2.503,1280 40.923,1281 93.062,1282 232.038,1283 329.644,1284 363.683,1285 365.683,1286 365.683,1287 57.965,1288 8.025,1289 54.46,1290 54.46,1291 24,1292 12.496,1293 4.248,1294 3.392,1295 54.911,1296 187,1297 151,1298 0.142,1299 251.811,1300 437.64,1301 606.179,1302 42646,1304 23.209,1305 0.703,1306 0.606,1307 23.209,1308 20.012,1309 15.974,1310 0.444,1311 0.336,1312 11.98,1313 15.538,1314 11.575,1315 9.656,1316 15.974,1317 12.091,1318 14.442,1319 0.295,1320 0.193,1321 14.442,1322 9.457,1323 11.614,1324 0.19,1325 0.106,1326 11.614,1327 6.447,1328 9.214,1329 0.121,1330 0.059,1331 9.214,1332 4.449,1333 7.657,1334 0.08,1335 0.034,1336 7.657,1337 3.309,1338 0.234,1339 98.761,1340 0.203,1341 31.709,1342 0.358,1343 170,1344 413.094,1345 181.946,1346 403.13,1347 557.1,1348 380,1349 195,1350 411.274,1351 207.198,1352 419.034,1353 607.67,1354 395,1355 8.9} {0 CHEMBL498356,1 1.382,2 14.906,3 4.405,4 19.403,5 128.418,6 6.64,7 0.486,8 4.239,9 4.367,10 3.716,11 3.783,12 5.225,13 3.735,14 4.814,15 5.013,16 4.056,17 4.175,18 5.732,19 4.105,20 5.085,21 5.306,22 4.115,23 4.357,24 5.98,25 4.252,26 5.183,27 5.428,28 4.014,29 4.377,30 6.015,31 4.224,32 5.203,33 5.482,34 3.908,35 4.313,36 5.961,37 4.146,38 5.068,39 5.333,40 3.817,41 4.211,42 5.83,43 4.045,44 5.018,45 5.294,46 3.745,47 4.135,48 5.755,49 3.974,50 4.939,51 5.201,52 3.734,53 4.121,54 5.683,55 3.961,56 0.051,57 0.914,58 14.954,59 6.309,60 8.783,61 8.786,62 0.263,63 1.511,64 27.899,65 10.16,66 24.97,67 14.673,68 0.404,69 1.878,70 37.155,71 13.342,72 41.659,73 19.133,74 0.342,75 1.954,76 40.769,77 15.945,78 46.009,79 22.621,80 0.376,81 1.917,82 42.256,83 15.759,84 46.152,85 22.656,86 0.279,87 1.732,88 36.543,89 13.757,90 36.657,91 19.92,92 0.369,93 1.649,94 35.197,95 12.436,96 38.148,97 18.237,98 0.267,99 1.553,100 31.952,101 12.164,102 25.212,103 17.611,104 19,105 48,106 0.22,107 0.529,108 0.758,109 0.856,110 0.861,111 0.861,112 3.501,113 0.989,114 -4.56,115 -4.48,116 -4.22,119 41.5,120 2,121 3,122 1,124 1,125 4,140 9,141 2,142 2,144 2,156 1,169 12,171 1,172 12,178 15,181 1,182 7,189 11,192 1,193 8,199 13,203 8,211 7,215 10,222 5,225 1,226 5,233 5,236 1,237 4,244 8,249 5,256 8,259 1796,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.391,266 25.25,267 12.781,268 21.97,269 17.272,270 17.272,271 17.272,272 17.272,273 17.272,274 13.976,275 28.54,276 6.073,277 17.876,278 4.64,279 2.705,280 1.266,281 0.65,282 0.619,283 0.619,284 4.199,288 1,289 1,290 1029,291 3.742,295 419.675,299 163.201,302 2.367,303 19.959,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 67.5,315 477,316 4.516,317 3.689,318 6.517,319 4.026,320 3.054,321 4.458,322 1.94,323 10.248,324 2.968,325 4.22,326 3.185,327 6.301,328 3.909,329 2.945,330 3.753,331 0.86,332 9.305,333 2.842,334 3.806,335 2.947,336 5.616,337 3.663,338 2.692,339 3.17,340 0.8,341 7.742,342 2.619,343 3.718,344 2.821,345 5.353,346 3.395,347 2.435,348 3.039,349 0.555,350 6.952,351 2.337,352 3.593,353 2.606,354 5.315,355 3.286,356 2.335,357 2.65,359 6.709,360 2.218,361 3.305,362 2.507,363 5.032,364 3.076,365 2.098,366 2.619,368 5.966,369 2.034,370 3.258,371 2.165,372 4.813,373 2.848,374 1.889,375 2.399,377 5.292,378 1.805,379 3.033,380 2.049,381 4.677,382 2.727,383 1.719,384 2.218,386 4.718,387 1.724,388 2.987,389 1.6,390 4.196,391 2.512,392 1.524,393 2.082,395 3.817,396 1.504,397 2.667,398 1.466,399 3.534,400 2.212,401 1.238,402 1.734,404 2.724,405 1.207,406 2.49,407 1.381,408 3.507,409 2.149,410 1.191,411 1.487,413 2.629,414 1.126,415 2.137,416 1.077,417 3.414,418 1.984,419 1,420 1.08,422 2.275,423 0.983,424 2,425 1.032,426 3.313,427 1.835,428 0.865,429 1,431 1.999,432 0.836,433 1.925,434 0.963,435 3.156,436 1.597,437 0.613,438 0.74,440 1.397,441 0.598,442 1.384,443 0.462,444 2.925,445 1.208,446 0.25,447 0.273,449 0.616,450 0.237,451 15.367,452 0.48,453 0.767,454 0.024,455 38.75,456 1.211,457 18.5,458 0.578,459 20.25,460 0.633,461 30.567,462 0.955,463 35.033,464 0.539,465 27.791,466 0.868,467 7.45,468 0.233,469 8.042,470 0.251,471 0.119,473 0.312,479 0.763,480 1.411,481 0.886,482 1.195,483 0.613,484 1.074,485 1.065,486 1.099,487 0.942,488 0.962,489 0.596,490 0.933,491 1.313,492 0.997,493 1.127,494 0.999,495 1.068,496 1.029,497 0.914,498 1.108,499 1.061,500 1.158,501 0.901,502 1.136,503 1.042,504 0.911,505 0.958,506 0.94,507 0.852,508 0.945,509 0.914,510 1.12,511 1.029,512 1.104,513 0.769,514 1.086,515 1.106,516 0.932,517 1.04,518 0.93,519 0.983,520 0.969,521 0.812,522 1.012,523 1.025,524 1.053,525 0.777,526 1.059,527 6.5,528 0.186,529 3.333,530 1.875,531 1.471,532 0.771,533 0.665,534 0.389,535 0.246,536 0.206,537 16853,538 37554,539 2.082,540 50.8,541 3,542 20,546 6,547 4,550 1.736,551 1.959,552 3.824,553 -0.836,559 89.852,560 1.382,561 3.317,562 4.756,563 5.372,564 5.403,565 5.403,566 3.243,567 4.726,568 4.975,569 4.042,570 2004.71,571 8.651,572 31853.7,577 391.454,578 1.366,579 4.936,580 0.186,581 0.008,582 0.069,583 0.038,584 0.035,585 0.02,586 0.02,587 0.012,588 0.008,589 0.008,590 0.404,591 0.33,592 1,593 0.844,594 173.472,595 0.034,596 -0.207,597 0.071,598 -0.079,599 -0.005,600 -0.014,601 0.008,602 0.03,603 0.055,604 0.051,605 0.096,606 0.059,607 -0.115,608 0.077,609 -0.122,610 -0.007,611 -0.049,612 -0.053,613 0.018,614 -0.133,615 -0.089,616 -0.144,617 0.012,618 -0.132,619 -0.048,620 0.017,621 0.025,622 0.038,623 -0.028,624 0.039,625 -0.028,626 -0.157,627 -0.056,628 -0.115,629 -0.032,630 -0.094,631 -0.084,632 0.045,633 -0.047,634 0.025,635 -0.107,636 -0.003,637 -0.013,638 -0.023,639 -0.059,640 -0.061,641 -0.044,642 -0.065,643 1.604,644 4.643,645 0.688,646 37.133,647 0.988,648 1.125,649 3.326,650 11.066,651 0.651,652 3.584,653 3.892,654 4.127,655 4.344,656 4.564,657 4.564,658 4.635,659 4.718,660 4.754,661 4.804,662 8.801,663 0.606,664 431.63,665 3.584,666 5.118,667 5.953,668 6.815,669 7.663,670 8.527,671 9.38,672 10.244,673 11.099,674 11.964,675 4.6,678 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 65,716 18,717 2,718 35,720 68,721 27,722 15,723 5,724 7,730 4,731 5,736 2,740 2,741 1,743 3,745 16,746 11,747 1,750 1,755 1,759 1,764 33,765 5,767 5,773 3,777 0.75,778 2,786 1,793 4,797 1,806 1,815 1,819 3,823 3,827 32,833 7,835 1,837 1,838 2,847 3.1,850 1,852 1,854 16.333,855 12.517,856 7.028,857 4.089,858 3.35,859 1.421,860 0.97,861 7.314,862 11.308,863 3.818,864 4.382,865 4.914,866 5.47,867 6.013,868 6.199,869 6.469,870 6.758,871 6.955,872 6.71,873 0.9,874 49,875 11.864,877 4.919,878 7.531,879 23.393,881 19.296,883 2.031,884 65,888 388.446,889 153.21,890 23.034,892 36.145,895 153.21,896 424.591,897 23.034,898 26.047,899 21.637,900 85.286,901 46.635,902 32.784,904 388.446,906 388.446,907 176.245,908 36.145,911 341.362,912 83.229,915 47.313,916 112.146,917 16.786,919 388.446,920 59.179,921 153.21,924 388.446,925 41.877,926 117.582,928 52.93,929 388.446,930 59.179,931 153.21,933 0.581,934 0.334,935 0.173,936 0.095,937 22,938 10,939 0.103,940 7,941 1,942 1.091,943 4.471,944 276.276,945 0.091,946 22,947 152,951 22.604,952 10.355,953 5.818,954 2.066,955 59.179,956 18.604,957 4.591,961 4.232,964 600.836,965 44.5,970 11.643,974 0.063,975 64.214,976 73.142,977 0.23,978 0.551,979 0.79,980 0.892,981 0.897,982 0.897,983 5.051,984 1.719,985 5.927,986 5.292,987 4.575,988 5.069,989 2.315,990 6.696,991 4.511,992 6.233,993 1.524,994 7.462,995 4.718,996 4.111,997 4.832,998 1.738,999 7.506,1000 4.011,1001 7.522,1002 1.238,1003 9.094,1004 3.817,1005 6.133,1006 7.221,1007 3.044,1008 10.573,1009 6.003,1010 8.842,1011 1.191,1012 10.783,1013 2.724,1014 6.463,1015 7.817,1016 3.144,1017 12.207,1018 6.294,1019 10.195,1020 1,1021 12.508,1022 2.629,1023 7.953,1024 9.708,1025 4.149,1026 14.786,1027 7.76,1028 11.57,1029 0.865,1030 14.26,1031 2.275,1032 8.663,1033 10.73,1034 4.541,1035 16.783,1036 8.43,1037 12.965,1038 0.613,1039 16.031,1040 1.999,1041 9.925,1042 12.401,1043 5.385,1044 19.187,1045 9.669,1046 3.054,1047 0.25,1048 17.817,1049 1.397,1050 10.826,1051 13.651,1052 5.912,1053 21.351,1054 10.533,1055 2.945,1056 10.248,1057 19.616,1058 0.616,1059 11.988,1060 15.218,1061 6.67,1062 23.69,1063 11.671,1064 2.692,1065 9.305,1066 21.424,1067 4.458,1068 12.985,1069 16.587,1070 7.263,1071 25.931,1072 12.633,1073 2.435,1074 7.742,1075 23.241,1076 3.753,1077 14.103,1078 18.107,1079 7.976,1080 28.248,1081 13.727,1082 2.335,1083 6.952,1084 25.066,1085 3.17,1086 15.149,1087 19.536,1088 8.602,1089 30.525,1090 14.739,1091 2.098,1092 6.709,1093 26.896,1094 3.039,1095 16.251,1096 21.037,1097 9.292,1098 32.836,1099 15.814,1100 1.889,1101 5.966,1102 28.731,1103 2.65,1104 17.322,1105 22.496,1106 9.936,1107 35.13,1108 16.854,1109 15962,1110 23942,1111 23.463,1112 42.347,1113 51.933,1114 52.656,1115 53.052,1116 51.713,1117 51.693,1118 65.403,1119 8.312,1120 144.777,1121 50.074,1122 5.516,1123 5.689,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 3.348,1129 17.078,1130 4.968,1131 15.938,1132 1.484,1133 1.504,1134 1.516,1135 1.478,1136 1.477,1137 1.869,1138 0.237,1139 4.136,1140 1.431,1141 4.079,1142 4.106,1143 4.039,1144 4.001,1145 7.428,1146 4.007,1147 3.982,1148 4.02,1149 3.91,1150 3.903,1151 5.016,1152 3.899,1153 3.827,1154 3.885,1155 3.718,1156 3.687,1157 4.737,1158 3.685,1159 3.582,1160 3.633,1161 3.483,1162 3.431,1163 4.58,1164 3.427,1165 3.54,1166 3.586,1167 3.441,1168 3.36,1169 4.328,1170 3.379,1171 3.431,1172 3.494,1173 3.283,1174 3.263,1175 4.213,1176 3.26,1177 3.165,1178 3.247,1179 3.019,1180 2.99,1181 4.066,1182 2.985,1183 3.111,1184 3.206,1185 2.909,1186 2.941,1187 3.884,1188 2.917,1189 0.129,1190 0.105,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.689,1197 0.055,1198 6.517,1199 0.293,1200 4.026,1201 0.085,1202 3.054,1203 4.458,1204 1.94,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.115,1210 2.125,1211 1.478,1212 2.121,1213 1.96,1214 1.926,1215 2.102,1216 2.075,1217 1.223,1218 2.088,1219 1.809,1220 1.754,1221 1.981,1222 1.975,1223 1.156,1224 1.979,1225 1.541,1226 1.496,1227 1.762,1228 1.754,1229 1.008,1230 1.757,1231 1.505,1232 1.449,1233 1.738,1234 1.697,1235 0.825,1236 1.711,1237 1.425,1238 1.363,1239 1.691,1240 1.616,1241 0.81,1242 1.646,1243 1.165,1244 1.089,1245 1.547,1246 1.426,1247 0.797,1248 1.472,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.675,1254 1.429,1255 4.263,1257 5.572,1259 7.074,1261 8.663,1263 10.296,1265 5.444,1271 7.327,1273 6.125,1275 0.692,1276 4.212,1280 39.396,1281 89.852,1282 215.601,1283 309.15,1284 349.189,1285 351.189,1286 351.189,1287 52.095,1288 7.959,1289 45.67,1290 45.67,1291 24,1292 12.513,1293 4.248,1294 3.392,1295 52.406,1296 174,1297 142,1298 0.145,1299 242.219,1300 420.34,1301 582.774,1302 38701,1304 22.501,1305 0.703,1306 0.606,1307 22.501,1308 19.381,1309 15.491,1310 0.443,1311 0.33,1312 11.418,1313 15.002,1314 11.021,1315 9.167,1316 15.491,1317 11.542,1318 13.982,1319 0.291,1320 0.185,1321 13.982,1322 8.861,1323 11.498,1324 0.188,1325 0.107,1326 11.498,1327 6.498,1328 9.154,1329 0.12,1330 0.059,1331 9.154,1332 4.461,1333 7.511,1334 0.079,1335 0.034,1336 7.511,1337 3.274,1338 0.239,1339 96.075,1340 0.206,1341 30.818,1342 0.368,1343 166,1344 414.406,1345 178.307,1346 402.523,1347 556.7,1348 380,1349 192,1350 411.19,1351 204.365,1352 418.72,1353 606.8,1354 394,1355 8.9} {0 CHEMBL500230,1 1.446,2 30.267,3 10.808,4 116.817,5 237.808,6 6.891,7 0.478,8 4.844,9 4.977,10 4.345,11 4.404,12 5.844,13 4.361,14 5.432,15 5.619,16 4.704,17 4.841,18 6.398,19 4.764,20 5.77,21 6.015,22 4.754,23 5.007,24 6.667,25 4.889,26 5.843,27 6.105,28 4.685,29 5.01,30 6.702,31 4.866,32 5.838,33 6.117,34 4.64,35 4.972,36 6.636,37 4.82,38 5.788,39 6.06,40 4.64,41 4.95,42 6.697,43 4.8,44 5.765,45 6.041,46 4.586,47 4.929,48 6.551,49 4.774,50 5.742,51 6.017,52 4.555,53 4.892,54 6.548,55 4.741,56 0.085,57 1.841,58 26.376,59 11.473,60 13.372,61 15.654,62 0.36,63 3.084,64 49.888,65 19.956,66 45.571,67 27.945,68 0.563,69 3.944,70 73.481,71 27.808,72 90.421,73 39.285,74 0.647,75 3.988,76 80.031,77 29.635,78 103.794,79 42.462,80 0.704,81 3.803,82 80.266,83 29.341,84 95.623,85 42.713,86 1.058,87 3.762,88 76.279,89 27.759,90 149.935,91 40.696,92 0.632,93 3.636,94 74.033,95 27.838,96 83.341,97 40.502,98 0.637,99 3.562,100 72.696,101 27.002,102 86.978,103 38.882,104 17,105 92,106 0.202,107 0.475,108 0.6,109 0.691,110 0.722,111 0.732,112 4.112,113 0.993,114 -6.9,115 -6.71,116 -6.21,119 42.4,121 12,122 2,125 6,140 14,141 6,142 4,149 2,150 2,156 2,169 27,172 8,174 2,176 12,178 28,182 8,186 14,189 21,193 12,197 10,199 20,203 8,207 2,208 2,211 27,215 6,218 2,220 4,222 32,226 6,229 2,231 2,233 25,237 8,240 2,242 6,244 24,249 2,254 6,256 26,259 11436,260 41.308,261 41.308,262 41.308,263 41.308,264 41.308,265 37.362,266 44.191,267 24.689,268 41.838,269 33.122,270 33.122,271 33.122,272 33.122,273 33.122,274 27.074,275 54.367,276 11.866,277 33.993,278 5.436,279 3.485,280 2.588,281 1.933,282 1.712,283 1.644,284 4.834,290 4048,291 5.099,294 369.969,295 1405.11,298 670.228,302 4.382,303 53.223,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.5,312 0.5,313 0.49,314 128,315 1816,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.296,336 6.057,337 3.838,338 2.84,339 3.763,340 0.8,341 8.719,342 2.83,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.8,350 8.719,351 2.83,352 3.824,353 2.886,354 5.778,355 3.593,356 2.628,357 3.215,359 7.905,360 2.546,361 3.824,362 2.886,363 5.778,364 3.593,365 2.628,366 3.215,368 7.905,369 2.546,370 3.676,371 2.849,372 5.324,373 3.349,374 2.4,375 2.975,377 6.892,378 2.269,379 3.676,380 2.849,381 5.324,382 3.348,383 2.4,384 2.975,386 6.892,387 2.268,388 3.521,389 2.578,390 5.247,391 3.215,392 2.261,393 2.802,395 6.594,396 2.142,397 3.521,398 2.578,399 5.247,400 3.214,401 2.26,402 2.802,404 6.594,405 2.138,406 3.378,407 2.254,408 4.997,409 3.054,410 2.09,411 2.487,413 5.926,414 2.004,415 3.377,416 2.254,417 4.997,418 3.052,419 2.089,420 2.487,422 5.926,423 1.999,424 2.928,425 1.961,426 4.583,427 2.887,428 1.892,429 2.014,431 4.454,432 1.879,433 2.893,434 1.961,435 4.583,436 2.64,437 1.647,438 2.006,440 4.453,441 1.635,442 2.853,443 1.903,444 4.067,445 2.524,446 1.535,447 1.888,449 3.807,450 1.516,451 28.638,452 0.477,453 1.245,454 0.021,455 70,456 1.167,457 32,458 0.533,459 38,460 0.633,461 70.87,462 1.181,463 65.562,464 0.556,465 58.593,466 0.977,467 12.755,468 0.213,469 16.602,470 0.277,471 0.043,473 0.307,477 2,479 0.655,480 1.156,481 0.848,482 1.076,483 0.502,484 1.001,485 0.681,486 1.11,487 0.96,488 1.105,489 0.474,490 1.073,491 0.854,492 1.011,493 0.975,494 1.033,495 0.712,496 1.019,497 0.815,498 0.95,499 0.994,500 1.044,501 0.737,502 1.043,503 0.664,504 0.81,505 0.881,506 0.93,507 0.63,508 0.936,509 0.497,510 0.783,511 0.904,512 0.945,513 0.383,514 0.972,515 0.551,516 0.859,517 0.884,518 0.971,519 0.471,520 0.972,521 0.696,522 0.849,523 0.915,524 0.953,525 0.634,526 0.963,527 10.5,528 0.313,529 6.444,530 2.889,531 2.766,532 1.688,533 0.988,534 0.988,535 0.704,536 0.373,537 123277,538 293845,539 2.157,540 49.2,541 14,542 26,543 2,545 4,547 12,550 1.881,551 2.069,552 4.804,553 1.133,559 170.686,560 1.446,561 3.397,562 4.295,563 4.95,564 5.171,565 5.239,566 4.215,567 4.64,568 5.882,569 5.04,570 8921.61,571 10.441,572 262053,577 812.152,578 1.199,579 5.86,580 0.157,581 0.005,582 0.07,583 0.031,584 0.033,585 0.021,586 0.012,587 0.013,588 0.01,589 0.005,590 0.356,592 0.5,593 0.359,594 402.756,595 -0.022,596 -0.051,597 0.051,598 0.019,599 0.005,600 0.041,601 0.024,602 -0.074,603 -0.03,604 -0.065,605 0.084,606 -0.057,607 -0.039,608 -0.041,609 -0.011,610 -0.029,611 0.042,612 -0.016,613 -0.034,614 -0.059,615 -0.029,616 -0.059,617 0.017,618 -0.044,619 0.019,620 -0.007,621 0.078,622 0.038,623 0.022,624 0.06,625 0.187,626 0.08,627 0.055,628 0.027,629 0.201,630 0.024,631 0.06,632 -0.008,633 0.066,634 0.013,635 0.053,636 0.036,637 0.011,639 0.046,640 0.024,641 0.026,642 0.036,643 2.021,644 5.718,645 0.7,646 131.107,647 0.993,648 1.13,649 5.673,650 32.186,651 0.656,652 4.22,653 4.533,654 4.804,655 5.056,656 5.298,657 5.398,658 5.537,659 5.707,660 5.805,661 5.916,662 17.115,663 0.615,664 813.14,665 4.22,666 5.765,667 6.613,668 7.482,669 8.346,670 9.221,671 10.094,672 10.975,673 11.855,674 12.74,675 5.1,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 118,716 34,717 4,718 67,720 125,721 50,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 12,745 30,746 20,747 2,750 2,755 2,759 2,762 2,764 58,765 8,766 4,767 10,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,815 2,819 6,825 2,827 60,833 18,834 2,837 2,838 2,846 2,847 1.7,850 2,854 29,855 20.519,856 13.139,857 7.921,858 5.846,859 1.544,860 1.013,861 14.212,862 16.588,863 4.454,864 5.027,865 5.605,866 6.181,867 6.695,868 6.999,869 7.367,870 7.765,871 7.935,872 8.277,873 0.95,874 93,875 22.4,877 9.699,878 7.65,879 43.994,881 37.727,883 2.15,884 129,888 635.64,889 249.152,890 75.841,892 50.29,893 29.92,895 249.152,896 685.929,897 105.761,899 79.07,900 150.762,901 59.699,902 81.463,903 57.751,904 612.097,906 635.64,907 324.993,908 80.21,911 524.307,912 191.543,915 118.89,916 206.104,919 665.56,920 126.131,921 249.152,924 635.64,925 98.39,926 157.011,927 69.593,928 80.21,929 635.64,930 156.051,931 249.152,933 0.578,934 0.332,935 0.175,936 0.097,937 42,938 18,939 0.136,940 17,941 2,942 1.095,943 7.089,944 639.616,945 0.095,946 42,947 278.413,951 42.058,952 20.275,953 11.007,954 4.497,955 122.48,956 27.53,958 6.868,961 4.326,963 69.593,964 1040.84,965 85,970 25.437,974 -0.479,975 117.148,976 133.298,977 0.21,978 0.494,979 0.624,980 0.719,981 0.751,982 0.761,983 5.697,984 2.4,985 6.578,986 6.892,987 5.22,988 5.717,989 2.001,990 7.358,991 5.172,992 6.875,993 2.261,994 8.114,995 6.892,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.167,1002 2.26,1003 9.749,1004 6.594,1005 6.786,1006 7.892,1007 1.937,1008 11.288,1009 6.698,1010 9.494,1011 2.09,1012 11.444,1013 6.594,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.858,1020 2.089,1021 13.181,1022 5.926,1023 8.626,1024 10.42,1025 1.969,1026 15.605,1027 8.512,1028 12.248,1029 1.892,1030 14.946,1031 5.926,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.235,1037 13.659,1038 1.647,1039 16.734,1040 4.454,1041 10.634,1042 13.158,1043 2.032,1044 20.139,1045 10.505,1046 3.174,1047 1.535,1048 18.539,1049 4.453,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.435,1055 3.174,1056 10.947,1057 20.358,1058 3.807,1059 12.747,1060 16.017,1061 2.112,1062 24.791,1063 12.608,1064 2.84,1065 10.947,1066 22.188,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.638,1073 2.84,1074 8.719,1075 24.028,1076 4.52,1077 14.924,1078 18.943,1079 2.201,1080 29.505,1081 14.774,1082 2.628,1083 8.719,1084 25.877,1085 3.763,1086 16.009,1087 20.398,1088 0.104,1089 31.866,1090 15.853,1091 2.628,1092 7.905,1093 27.732,1094 3.763,1095 17.142,1096 21.907,1097 2.296,1098 34.252,1099 16.978,1100 2.4,1101 7.905,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.068,1107 36.628,1108 18.082,1109 111638,1110 173092,1111 46.115,1112 77.376,1113 99.738,1114 101.954,1115 101.323,1116 99.448,1117 99.257,1118 125.463,1119 7.433,1120 279.072,1121 96.816,1122 5.587,1123 5.574,1124 6.644,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 24.84,1132 1.489,1133 1.522,1134 1.512,1135 1.484,1136 1.481,1137 1.873,1138 0.111,1139 4.165,1140 1.445,1141 4.18,1142 4.216,1143 4.132,1144 4.093,1145 8.203,1146 4.098,1147 4.125,1148 4.159,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.928,1154 3.955,1155 3.882,1156 3.85,1157 7.431,1158 3.853,1159 3.914,1160 3.939,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.868,1166 3.931,1167 3.741,1168 3.731,1169 4.983,1170 3.722,1171 3.826,1172 3.89,1173 3.706,1174 3.681,1175 4.949,1176 3.678,1177 3.743,1178 3.807,1179 3.591,1180 3.623,1181 4.61,1182 3.608,1183 3.606,1184 3.671,1185 3.468,1186 3.484,1187 4.595,1188 3.466,1189 0.068,1190 0.053,1191 0.1,1192 0.062,1193 0.047,1194 4.587,1195 0.067,1196 3.574,1197 0.016,1198 6.719,1199 0.163,1200 4.163,1201 0.047,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.1,1210 2.073,1211 1.47,1212 2.083,1213 1.971,1214 1.946,1215 2.091,1216 2.071,1217 1.458,1218 2.079,1219 1.889,1220 1.864,1221 2.048,1222 2.025,1223 1.407,1224 2.029,1225 1.888,1226 1.864,1227 2.01,1228 2.019,1229 1.277,1230 2.019,1231 1.846,1232 1.793,1233 1.999,1234 1.965,1235 1.153,1236 1.98,1237 1.831,1238 1.778,1239 1.966,1240 1.959,1241 1.139,1242 1.962,1243 1.78,1244 1.722,1245 1.957,1246 1.934,1247 1.066,1248 1.952,1249 1.651,1250 1.588,1251 1.902,1252 1.818,1253 1.055,1254 1.85,1255 4.905,1257 6.221,1258 3.045,1259 7.72,1260 5.416,1261 9.304,1262 7.535,1263 10.935,1267 26.612,1271 21.971,1272 5.955,1275 1.008,1276 5.276,1280 72.548,1281 170.686,1282 400.898,1283 506.771,1284 584.113,1285 610.152,1286 618.152,1287 129.387,1288 10.742,1289 96.26,1290 96.26,1291 46,1292 13.274,1293 5.129,1294 4.248,1295 89.754,1296 646,1297 537,1298 0.064,1299 435.557,1300 762.76,1301 1054.52,1302 1451210,1303 1.7,1304 41.262,1305 0.688,1306 0.576,1307 39.522,1308 34.587,1309 29.357,1310 0.438,1311 0.331,1312 21.956,1313 28.513,1314 21.581,1315 17.809,1316 28.569,1317 22.167,1318 26.122,1319 0.284,1320 0.185,1321 24.878,1322 16.991,1323 22.264,1324 0.184,1325 0.107,1326 21.443,1327 12.91,1328 18.207,1329 0.117,1330 0.06,1331 17.903,1332 9.391,1333 14.944,1334 0.075,1335 0.035,1336 14.522,1337 6.888,1338 0.111,1339 181.975,1340 0.147,1341 52.31,1342 0.153,1343 318,1344 858.315,1345 341.803,1346 791.686,1347 1078.7,1348 742,1349 372,1350 788.615,1351 394.796,1352 791.95,1353 1159.16,1354 750,1355 7.886} {0 CHEMBL500284,1 1.333,2 26.765,3 8.938,4 79.895,5 210.744,6 6.151,7 0.357,8 4.778,9 4.926,10 4.178,11 4.3,12 5.666,13 4.236,14 5.392,15 5.606,16 4.51,17 4.743,18 6.203,19 4.636,20 5.72,21 5.983,22 4.537,23 4.921,24 6.466,25 4.765,26 5.798,27 6.084,28 4.494,29 4.927,30 6.527,31 4.748,32 5.753,33 6.043,34 4.454,35 4.847,36 6.508,37 4.675,38 5.662,39 5.94,40 4.411,41 4.784,42 6.437,43 4.624,44 5.622,45 5.899,46 4.375,47 4.739,48 6.427,49 4.576,50 5.603,51 5.883,52 4.243,53 4.685,54 6.392,55 4.509,56 0.139,57 1.644,58 28.019,59 10.976,60 15.56,61 16.231,62 0.436,63 2.723,64 51.215,65 18.979,66 36.929,67 28.562,68 0.524,69 3.382,70 69.706,71 25.891,72 57.831,73 38.653,74 0.534,75 3.486,76 74.604,77 27.77,78 68.199,79 41.505,80 0.628,81 3.279,82 71.722,83 25.724,84 74.238,85 38.546,86 0.615,87 3.082,88 66.091,89 22.962,90 63.301,91 34.796,92 0.606,93 2.937,94 63.425,95 22.249,96 69.627,97 33.684,98 0.649,99 2.812,100 62.412,101 21.441,102 67.262,103 32.235,104 17,105 75,106 0.19,107 0.439,108 0.597,109 0.668,110 0.693,111 0.715,112 3.953,113 1.078,114 -5.5,115 -5.38,116 -5.02,119 38.1,121 17,122 2,124 2,125 4,140 6,141 4,142 2,149 2,150 2,156 2,169 24,172 6,174 2,176 12,178 25,182 4,186 12,189 22,193 8,197 8,199 21,203 8,207 2,208 4,211 22,215 6,218 2,220 6,222 21,226 6,229 2,231 4,233 18,237 8,240 2,242 4,244 21,249 2,254 4,256 20,259 7354,260 34.982,261 34.982,262 34.982,263 34.982,264 34.982,265 32.462,266 38.838,267 21.355,268 35.38,269 27.733,270 27.733,271 27.733,272 27.733,273 27.733,274 23.706,275 49.09,276 10.339,277 28.325,278 5.487,279 3.737,280 2.626,281 2.126,282 1.951,283 1.801,284 4.664,290 3010,291 5.196,294 325.608,295 764.885,298 573.952,302 3.885,303 33.21,306 0.5,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.68,314 107,315 1365,316 4.586,317 3.592,318 6.719,319 4.161,320 3.173,321 4.52,322 1.907,323 10.946,324 3.137,325 4.586,326 3.592,327 6.719,328 4.161,329 3.173,330 4.52,331 1.907,332 10.946,333 3.137,334 3.881,335 3.295,336 5.783,337 3.622,338 2.643,339 3.237,340 0.8,341 7.948,342 2.586,343 3.881,344 3.295,345 5.783,346 3.622,347 2.643,348 3.237,349 0.8,350 7.948,351 2.586,352 3.673,353 2.782,354 5.417,355 3.444,356 2.47,357 2.894,358 0.149,359 7.111,360 2.409,361 3.673,362 2.782,363 5.417,364 3.444,365 2.47,366 2.894,367 0.149,368 7.111,369 2.409,370 3.407,371 2.534,372 5.035,373 3.145,374 2.186,375 2.62,377 6.012,378 2.093,379 3.407,380 2.534,381 5.035,382 3.145,383 2.186,384 2.619,386 6.012,387 2.091,388 3.287,389 2.236,390 4.792,391 2.993,392 2.011,393 2.39,395 5.411,396 1.963,397 3.287,398 2.236,399 4.792,400 2.981,401 1.999,402 2.39,404 5.411,405 1.945,406 2.939,407 1.949,408 4.543,409 2.907,410 1.906,411 1.955,413 4.353,414 1.901,415 2.849,416 1.804,417 4.543,418 2.728,419 1.724,420 1.953,422 4.353,423 1.728,424 2.849,425 1.582,426 3.966,427 2.486,428 1.502,429 1.937,431 3.873,432 1.476,433 2.767,434 1.522,435 3.964,436 2.486,437 1.502,438 1.765,440 3.521,441 1.476,442 2.557,443 1.522,444 3.937,445 2.466,446 1.462,447 1.573,449 3.074,450 1.465,451 24.567,452 0.482,453 1.006,454 0.02,455 52,456 1.02,457 20,458 0.392,459 32,460 0.627,461 64.399,462 1.263,463 58.233,464 0.515,465 39.194,466 0.769,467 8.643,468 0.169,469 16.28,470 0.319,471 0.068,473 0.277,479 0.839,480 1.423,481 1.004,482 1.213,483 0.561,484 1.131,485 0.834,486 1.204,487 1.055,488 1.126,489 0.502,490 1.105,491 0.989,492 1.058,493 1.04,494 1.055,495 0.931,496 1.052,497 0.833,498 1.032,499 0.957,500 1.035,501 0.831,502 1.012,503 1.016,504 0.979,505 0.931,506 0.966,507 1.164,508 0.949,509 1.155,510 1.002,511 1.03,512 1,513 1.172,514 1.001,515 1.03,516 1.076,517 1.006,518 1.053,519 1.117,520 1.031,521 1.425,522 0.961,523 1.137,524 1.018,525 1.617,526 1.049,527 8.5,528 0.23,529 4.667,530 2.639,531 2.081,532 1.202,533 0.991,534 0.741,535 0.44,536 0.263,537 78714,538 145120,539 2.117,540 54.9,541 24,542 20,543 2,545 4,546 4,547 8,550 1.843,551 2.026,552 4.625,553 1.205,559 150.681,560 1.333,561 3.083,562 4.194,563 4.694,564 4.87,565 5.019,566 4.035,567 4.535,568 5.652,569 4.869,570 6208.47,571 9.969,572 163256,577 770.68,578 1.206,579 5.624,580 0.152,581 0.005,582 0.062,583 0.036,584 0.03,585 0.018,586 0.016,587 0.012,588 0.009,589 0.005,590 0.346,592 0.5,593 0.399,594 328.984,595 -0.003,596 -0.101,597 0.058,598 -0.005,599 0.026,600 0.026,601 0.053,602 -0.021,603 -0.024,604 -0.029,605 0.099,606 -0.031,607 -0.068,608 -0.018,609 -0.043,610 -0.02,611 -0.025,612 -0.028,613 0.004,614 -0.052,615 0.017,616 -0.026,617 0.028,618 -0.006,619 0.027,620 -0.013,621 0.058,622 0.018,623 -0.008,624 0.036,625 -0.031,626 0.011,627 -0.021,628 -0.015,629 -0.048,630 -0.017,631 0.063,632 -0.073,633 -0.002,634 -0.06,635 0.033,636 -0.04,637 -0.109,638 0.031,639 -0.117,640 -0.048,641 -0.136,642 -0.078,643 1.543,644 5.665,645 0.588,646 92.992,647 0.982,648 1.133,649 4.274,650 18.267,651 0.631,652 4.043,653 4.331,654 4.575,655 4.836,656 5.056,657 5.159,658 5.303,659 5.429,660 5.442,661 5.464,662 15.478,663 0.578,664 695.11,665 4.043,666 5.572,667 6.405,668 7.266,669 8.121,670 8.994,671 9.863,672 10.744,673 11.622,674 12.51,675 5.3,678 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,714 113,716 22,717 2,718 56,720 118,721 43,722 16,723 6,724 6,730 6,731 8,740 4,741 2,743 17,745 18,746 25,747 2,750 2,755 2,759 2,764 62,765 6,766 4,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,805 2,815 2,819 4,823 2,827 51,833 21,834 2,837 2,838 2,847 1.8,850 2,854 25.167,855 20.067,856 11.333,857 7.814,858 3.83,859 1.413,860 0.981,861 14.234,862 13.112,863 4.234,864 4.758,865 5.3,866 5.902,867 6.399,868 6.771,869 7.191,870 7.571,871 7.567,872 7.754,873 1,874 74,875 19.069,877 8.017,878 7.438,879 38.395,881 32.708,883 1.938,884 98.833,888 682.724,889 173.983,890 75.841,892 50.29,895 173.983,896 733.014,897 75.841,898 16.793,899 87.531,900 74.952,901 59.699,902 56.85,903 27.83,904 659.182,906 682.724,907 249.824,908 50.29,911 588.555,912 144.459,915 127.351,916 122.473,919 682.724,920 126.131,921 173.983,924 682.724,925 82.238,926 97.994,927 69.593,928 50.29,929 682.724,930 126.131,931 173.983,933 0.569,934 0.319,935 0.171,936 0.095,937 32,938 14,939 0.153,940 18,941 2,942 1.133,943 6.396,944 494.355,945 0.133,946 30,947 231.294,951 37.785,952 19.212,953 11.023,954 4.813,955 92.56,956 16.892,958 6.873,961 4.61,963 69.593,964 982.838,965 68,970 25.33,974 0.247,975 111.006,976 128.034,977 0.196,978 0.452,979 0.615,980 0.688,981 0.714,982 0.736,983 5.472,984 2.186,985 6.358,986 6.012,987 5.017,988 5.447,989 2.709,990 7.12,991 4.978,992 6.626,993 2.011,994 7.879,995 6.012,996 4.443,997 5.215,998 2.262,999 7.928,1000 4.386,1001 7.906,1002 1.999,1003 9.502,1004 5.411,1005 6.555,1006 7.589,1007 3.595,1008 11.049,1009 6.48,1010 9.223,1011 1.906,1012 11.19,1013 5.411,1014 6.847,1015 8.303,1016 3.716,1017 12.778,1018 6.76,1019 10.582,1020 1.724,1021 12.923,1022 4.353,1023 8.38,1024 10.146,1025 4.727,1026 15.409,1027 8.276,1028 11.97,1029 1.502,1030 14.689,1031 4.353,1032 9.101,1033 11.302,1034 5.099,1035 17.528,1036 8.991,1037 13.383,1038 1.502,1039 16.481,1040 3.873,1041 10.392,1042 12.942,1043 5.942,1044 19.999,1045 10.268,1046 3.173,1047 1.462,1048 18.293,1049 3.521,1050 11.331,1051 14.299,1052 6.442,1053 22.279,1054 11.203,1055 3.173,1056 10.946,1057 20.122,1058 3.074,1059 12.524,1060 15.859,1061 7.194,1062 24.697,1063 12.383,1064 2.643,1065 10.946,1066 21.963,1067 4.52,1068 13.571,1069 17.304,1070 7.761,1071 27.043,1072 13.425,1073 2.643,1074 7.948,1075 23.816,1076 4.52,1077 14.727,1078 18.832,1079 8.464,1080 29.444,1081 14.571,1082 2.47,1083 7.948,1084 25.678,1085 3.237,1086 15.826,1087 20.313,1088 9.067,1089 31.817,1090 15.663,1091 2.47,1092 7.111,1093 27.547,1094 3.237,1095 16.972,1096 21.829,1097 9.744,1098 34.211,1099 16.799,1100 2.186,1101 7.111,1102 29.422,1103 2.894,1104 18.096,1105 23.326,1106 10.367,1107 36.596,1108 17.915,1109 72126,1110 98158,1111 38.254,1112 71.262,1113 82.069,1114 83.489,1115 83.616,1116 81.734,1117 81.726,1118 99.247,1119 11.424,1120 224.665,1121 80.105,1122 5.586,1123 5.592,1124 6.672,1125 5.197,1126 5.173,1127 7.52,1128 3.306,1129 18.076,1130 5.137,1131 22.001,1132 1.466,1133 1.491,1134 1.493,1135 1.46,1136 1.459,1137 1.772,1138 0.204,1139 4.012,1140 1.43,1141 4.174,1142 4.21,1143 4.126,1144 4.087,1145 7.431,1146 4.092,1147 4.124,1148 4.158,1149 4.084,1150 4.043,1151 7.427,1152 4.049,1153 3.842,1154 3.904,1155 3.696,1156 3.722,1157 4.981,1158 3.704,1159 3.815,1160 3.88,1161 3.693,1162 3.67,1163 4.949,1164 3.667,1165 3.811,1166 3.876,1167 3.692,1168 3.667,1169 4.384,1170 3.664,1171 3.746,1172 3.806,1173 3.614,1174 3.61,1175 4.379,1176 3.598,1177 3.659,1178 3.716,1179 3.54,1180 3.497,1181 4.323,1182 3.494,1183 3.548,1184 3.608,1185 3.427,1186 3.362,1187 4.295,1188 3.372,1189 0.082,1190 0.064,1191 0.12,1192 0.074,1193 0.057,1194 4.586,1195 0.081,1196 3.592,1197 0.034,1198 6.719,1199 0.195,1200 4.161,1201 0.056,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.137,1207 1.966,1208 1.94,1209 2.087,1210 2.064,1211 1.446,1212 2.073,1213 1.965,1214 1.94,1215 2.085,1216 2.064,1217 1.443,1218 2.072,1219 1.838,1220 1.78,1221 2.076,1222 2.003,1223 1.443,1224 2.024,1225 1.826,1226 1.771,1227 2.011,1228 1.998,1229 1.358,1230 2.002,1231 1.82,1232 1.764,1233 1.984,1234 1.976,1235 1.221,1236 1.991,1237 1.751,1238 1.694,1239 1.973,1240 1.911,1241 1.142,1242 1.94,1243 1.629,1244 1.572,1245 1.879,1246 1.813,1247 1.136,1248 1.834,1249 1.477,1250 1.417,1251 1.732,1252 1.708,1253 1.035,1254 1.707,1255 4.727,1257 6.023,1258 3.045,1259 7.498,1260 5.416,1261 9.064,1262 7.535,1263 10.684,1265 4.4,1271 23.38,1272 6.3,1275 1.179,1276 4.81,1280 65.308,1281 150.681,1282 348.374,1283 473.925,1284 530.46,1285 550.258,1286 567.196,1287 107.452,1288 9.282,1289 96.26,1290 96.26,1291 34,1292 13.043,1293 4.524,1294 3.7,1295 84.296,1296 498,1297 382,1298 0.077,1299 398.365,1300 691.88,1301 963.771,1302 268462,1304 35.417,1305 0.694,1306 0.614,1307 35.417,1308 31.334,1309 24.924,1310 0.445,1311 0.359,1312 19.946,1313 24.292,1314 19.475,1315 16.205,1316 24.924,1317 20.116,1318 21.877,1319 0.292,1320 0.209,1321 21.877,1322 15.649,1323 17.852,1324 0.186,1325 0.121,1326 17.852,1327 11.619,1328 14.702,1329 0.118,1330 0.067,1331 14.702,1332 8.364,1333 11.867,1334 0.076,1335 0.039,1336 11.867,1337 6.099,1338 0.135,1339 153.816,1340 0.162,1341 46.343,1342 0.183,1343 262,1344 562.093,1345 277.475,1346 554.652,1347 767.74,1348 522,1349 302,1350 567.245,1351 317.312,1352 580.915,1353 844.06,1354 548,1355 8.638} {0 CHEMBL500488,1 1.326,2 27.577,3 9.395,4 88.259,5 215.345,6 6.113,7 0.351,8 4.802,9 4.95,10 4.196,11 4.324,12 5.684,13 4.258,14 5.418,15 5.633,16 4.525,17 4.766,18 6.222,19 4.656,20 5.747,21 6.012,22 4.551,23 4.944,24 6.485,25 4.785,26 5.823,27 6.11,28 4.509,29 4.949,30 6.545,31 4.768,32 5.779,33 6.07,34 4.47,35 4.871,36 6.527,37 4.696,38 5.691,39 5.97,40 4.428,41 4.81,42 6.457,43 4.646,44 5.652,45 5.93,46 4.392,47 4.766,48 6.446,49 4.6,50 5.633,51 5.915,52 4.263,53 4.714,54 6.412,55 4.535,56 0.144,57 1.683,58 28.847,59 11.316,60 15.98,61 16.743,62 0.444,63 2.786,64 52.613,65 19.552,66 37.668,67 29.426,68 0.534,69 3.461,70 71.491,71 26.615,72 58.55,73 39.752,74 0.543,75 3.564,76 76.298,77 28.471,78 68.89,79 42.558,80 0.636,81 3.357,82 73.403,83 26.422,84 74.717,85 39.595,86 0.624,87 3.16,88 67.83,89 23.674,90 63.974,91 35.874,92 0.616,93 3.014,94 65.168,95 22.959,96 70.341,97 34.756,98 0.656,99 2.89,100 64.125,101 22.153,102 67.737,103 33.308,104 17,105 76,106 0.188,107 0.432,108 0.588,109 0.659,110 0.685,111 0.707,112 3.972,113 1.085,114 -5.67,115 -5.54,116 -5.16,119 37.9,121 18,122 2,124 2,125 4,140 6,141 4,142 2,149 2,150 2,156 2,169 25,172 6,174 2,176 12,178 26,182 4,186 12,189 23,193 8,197 8,199 22,203 8,207 2,208 4,211 23,215 6,218 2,220 6,222 22,226 6,229 2,231 4,233 19,237 8,240 2,242 4,244 22,249 2,254 4,256 21,259 7852,260 35.689,261 35.689,262 35.689,263 35.689,264 35.689,265 33.17,266 38.838,267 21.855,268 36.087,269 28.233,270 28.233,271 28.233,272 28.233,273 28.233,274 24.206,275 49.09,276 10.589,277 28.825,278 5.532,279 3.81,280 2.709,281 2.206,282 2.026,283 1.867,284 4.683,290 3158,291 5.292,294 335.438,295 787.643,298 591.413,302 4.027,303 33.279,306 0.5,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.68,314 109,315 1434,316 4.586,317 3.592,318 6.719,319 4.161,320 3.173,321 4.52,322 1.907,323 10.946,324 3.137,325 4.586,326 3.592,327 6.719,328 4.161,329 3.173,330 4.52,331 1.907,332 10.946,333 3.137,334 3.881,335 3.295,336 5.783,337 3.622,338 2.643,339 3.237,340 0.8,341 7.948,342 2.586,343 3.881,344 3.295,345 5.783,346 3.622,347 2.643,348 3.237,349 0.8,350 7.948,351 2.586,352 3.673,353 2.782,354 5.417,355 3.444,356 2.47,357 2.894,358 0.149,359 7.111,360 2.409,361 3.673,362 2.782,363 5.417,364 3.444,365 2.47,366 2.894,367 0.149,368 7.111,369 2.409,370 3.407,371 2.534,372 5.035,373 3.145,374 2.186,375 2.62,377 6.012,378 2.093,379 3.407,380 2.534,381 5.035,382 3.145,383 2.186,384 2.619,386 6.012,387 2.091,388 3.287,389 2.236,390 4.792,391 2.994,392 2.011,393 2.39,395 5.411,396 1.965,397 3.287,398 2.236,399 4.792,400 2.982,401 2,402 2.39,404 5.411,405 1.946,406 2.947,407 1.956,408 4.543,409 2.919,410 1.918,411 1.956,413 4.353,414 1.91,415 2.85,416 1.828,417 4.543,418 2.762,419 1.758,420 1.953,422 4.353,423 1.762,424 2.849,425 1.631,426 3.967,427 2.53,428 1.527,429 1.944,431 3.891,432 1.53,433 2.797,434 1.522,435 3.964,436 2.486,437 1.502,438 1.796,440 3.584,441 1.476,442 2.578,443 1.522,444 3.945,445 2.486,446 1.502,447 1.585,449 3.141,450 1.476,451 25.067,452 0.482,453 1.006,454 0.019,455 52.5,456 1.01,457 20,458 0.385,459 32.5,460 0.625,461 66.534,462 1.28,463 59.533,464 0.513,465 39.334,466 0.756,467 8.643,468 0.166,469 16.78,470 0.323,471 0.066,473 0.271,479 0.841,480 1.425,481 1.012,482 1.219,483 0.562,484 1.139,485 0.834,486 1.211,487 1.063,488 1.135,489 0.502,490 1.114,491 0.985,492 1.057,493 1.037,494 1.052,495 0.927,496 1.049,497 0.832,498 1.032,499 0.956,500 1.034,501 0.83,502 1.011,503 1.012,504 0.979,505 0.931,506 0.967,507 1.16,508 0.949,509 1.148,510 1.002,511 1.027,512 0.999,513 1.165,514 1,515 1.023,516 1.074,517 1.003,518 1.051,519 1.109,520 1.029,521 1.413,522 0.961,523 1.131,524 1.017,525 1.604,526 1.046,527 8.5,528 0.23,529 4.667,530 2.639,531 2.081,532 1.202,533 0.991,534 0.741,535 0.44,536 0.263,537 84175,538 154097,539 2.115,540 55.2,541 26,542 20,543 2,545 4,546 4,547 8,550 1.847,551 2.026,552 4.666,553 1.191,559 153.801,560 1.326,561 3.048,562 4.149,563 4.652,564 4.832,565 4.991,566 4.056,567 4.547,568 5.68,569 4.914,570 6516.39,571 10.023,572 175910,577 795.526,578 1.195,579 5.652,580 0.149,581 0.005,582 0.061,583 0.035,584 0.03,585 0.018,586 0.015,587 0.012,588 0.008,589 0.005,590 0.34,592 0.5,593 0.394,594 338.028,595 -0.001,596 -0.1,597 0.058,598 -0.005,599 0.027,600 0.025,601 0.054,602 -0.026,603 -0.027,604 -0.034,605 0.099,606 -0.036,607 -0.065,608 -0.017,609 -0.039,610 -0.018,611 -0.022,612 -0.025,613 0.005,614 -0.05,615 0.018,616 -0.024,617 0.03,618 -0.005,619 0.029,620 -0.013,621 0.058,622 0.018,623 -0.006,624 0.036,625 -0.027,626 0.011,627 -0.018,628 -0.014,629 -0.044,630 -0.015,631 0.066,632 -0.071,634 -0.058,635 0.036,636 -0.037,637 -0.104,638 0.031,639 -0.112,640 -0.046,641 -0.131,642 -0.074,643 1.539,644 5.666,645 0.577,646 97.615,647 0.982,648 1.133,649 4.439,650 19.705,651 0.63,652 4.06,653 4.344,654 4.585,655 4.844,656 5.063,657 5.165,658 5.308,659 5.434,660 5.447,661 5.468,662 15.965,663 0.576,664 709.14,665 4.06,666 5.587,667 6.418,668 7.277,669 8.131,670 9.002,671 9.869,672 10.749,673 11.627,674 12.514,675 5.2,678 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,714 116,716 22,717 2,718 57,720 121,721 44,722 16,723 6,724 6,730 6,731 8,740 4,741 2,743 18,745 18,746 26,747 2,750 2,755 2,759 2,764 64,765 6,766 4,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,805 2,815 2,819 4,823 2,827 52,833 22,834 2,837 2,838 2,847 1.7,850 2,854 25.667,855 20.567,856 11.583,857 8.064,858 3.816,859 1.41,860 0.978,861 14.849,862 13.115,863 4.248,864 4.766,865 5.305,866 5.905,867 6.4,868 6.772,869 7.191,870 7.571,871 7.568,872 7.755,873 0.944,874 75,875 19.447,877 8.16,878 7.429,879 39.212,881 33.374,883 1.929,884 100.333,888 706.266,889 176.518,890 75.841,892 50.29,895 176.518,896 756.556,897 75.841,898 16.793,899 90.066,900 74.952,901 59.699,902 56.85,903 27.83,904 682.724,906 706.266,907 252.359,908 50.29,911 612.097,912 144.459,915 129.886,916 122.473,919 706.266,920 126.131,921 176.518,924 706.266,925 84.773,926 97.994,927 69.593,928 50.29,929 706.266,930 126.131,931 176.518,933 0.568,934 0.317,935 0.17,936 0.094,937 32,938 14,939 0.157,940 19,941 2,942 1.133,943 6.505,944 503.595,945 0.133,946 30,947 236.423,951 38.754,952 19.925,953 11.519,954 4.821,955 92.56,956 16.91,958 6.876,961 4.62,963 69.593,964 1008.91,965 69,970 25.333,974 0.255,975 113.89,976 131.449,977 0.193,978 0.444,979 0.605,980 0.678,981 0.705,982 0.728,983 5.485,984 2.186,985 6.368,986 6.012,987 5.03,988 5.455,989 2.709,990 7.127,991 4.991,992 6.635,993 2.011,994 7.886,995 6.012,996 4.443,997 5.215,998 2.262,999 7.928,1000 4.386,1001 7.913,1002 2,1003 9.507,1004 5.411,1005 6.564,1006 7.592,1007 3.595,1008 11.05,1009 6.489,1010 9.228,1011 1.918,1012 11.193,1013 5.411,1014 6.847,1015 8.303,1016 3.716,1017 12.778,1018 6.76,1019 10.585,1020 1.758,1021 12.925,1022 4.353,1023 8.384,1024 10.146,1025 4.727,1026 15.409,1027 8.281,1028 11.972,1029 1.527,1030 14.69,1031 4.353,1032 9.101,1033 11.302,1034 5.099,1035 17.528,1036 8.991,1037 13.385,1038 1.502,1039 16.482,1040 3.891,1041 10.394,1042 12.942,1043 5.942,1044 19.999,1045 10.27,1046 3.173,1047 1.502,1048 18.294,1049 3.584,1050 11.331,1051 14.299,1052 6.442,1053 22.279,1054 11.203,1055 3.173,1056 10.946,1057 20.122,1058 3.141,1059 12.525,1060 15.86,1061 7.194,1062 24.697,1063 12.384,1064 2.643,1065 10.946,1066 21.964,1067 4.52,1068 13.571,1069 17.304,1070 7.761,1071 27.043,1072 13.425,1073 2.643,1074 7.948,1075 23.816,1076 4.52,1077 14.727,1078 18.832,1079 8.464,1080 29.444,1081 14.571,1082 2.47,1083 7.948,1084 25.678,1085 3.237,1086 15.826,1087 20.313,1088 9.067,1089 31.817,1090 15.663,1091 2.47,1092 7.111,1093 27.547,1094 3.237,1095 16.972,1096 21.829,1097 9.744,1098 34.211,1099 16.799,1100 2.186,1101 7.111,1102 29.422,1103 2.894,1104 18.096,1105 23.326,1106 10.367,1107 36.596,1108 17.915,1109 77196,1110 104686,1111 38.948,1112 73.024,1113 83.281,1114 84.798,1115 84.827,1116 83.073,1117 83.046,1118 100.568,1119 11.424,1120 227.319,1121 81.424,1122 5.586,1123 5.592,1124 6.678,1125 5.197,1126 5.173,1127 7.52,1128 3.306,1129 18.076,1130 5.137,1131 22.339,1132 1.461,1133 1.488,1134 1.488,1135 1.457,1136 1.457,1137 1.764,1138 0.2,1139 3.988,1140 1.428,1141 4.174,1142 4.211,1143 4.126,1144 4.087,1145 7.431,1146 4.092,1147 4.125,1148 4.158,1149 4.084,1150 4.043,1151 7.427,1152 4.049,1153 3.846,1154 3.909,1155 3.696,1156 3.727,1157 4.981,1158 3.709,1159 3.815,1160 3.88,1161 3.695,1162 3.67,1163 4.949,1164 3.667,1165 3.811,1166 3.876,1167 3.694,1168 3.667,1169 4.384,1170 3.664,1171 3.754,1172 3.814,1173 3.618,1174 3.621,1175 4.379,1176 3.607,1177 3.674,1178 3.732,1179 3.552,1180 3.518,1181 4.324,1182 3.513,1183 3.569,1184 3.628,1185 3.447,1186 3.387,1187 4.295,1188 3.393,1189 0.08,1190 0.063,1191 0.118,1192 0.073,1193 0.056,1194 4.586,1195 0.079,1196 3.592,1197 0.033,1198 6.719,1199 0.192,1200 4.161,1201 0.055,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.137,1207 1.966,1208 1.94,1209 2.088,1210 2.064,1211 1.449,1212 2.073,1213 1.965,1214 1.94,1215 2.085,1216 2.064,1217 1.443,1218 2.072,1219 1.84,1220 1.782,1221 2.078,1222 2.003,1223 1.443,1224 2.026,1225 1.826,1226 1.771,1227 2.02,1228 1.998,1229 1.371,1230 2.002,1231 1.821,1232 1.765,1233 1.986,1234 1.979,1235 1.249,1236 1.993,1237 1.763,1238 1.705,1239 1.976,1240 1.921,1241 1.144,1242 1.949,1243 1.653,1244 1.595,1245 1.902,1246 1.831,1247 1.138,1248 1.855,1249 1.511,1250 1.453,1251 1.769,1252 1.725,1253 1.08,1254 1.733,1255 4.745,1257 6.038,1258 3.045,1259 7.509,1260 5.416,1261 9.072,1262 7.535,1263 10.69,1265 4.402,1271 24.816,1272 6.306,1275 1.182,1276 4.813,1280 66.835,1281 153.801,1282 353.593,1283 481.287,1284 539.577,1285 560.506,1286 578.996,1287 111.098,1288 9.298,1289 96.26,1290 96.26,1291 34,1292 13.048,1293 4.524,1294 3.7,1295 86.904,1296 524,1297 399,1298 0.076,1299 407.957,1300 709.18,1301 987.176,1302 279270,1304 36.125,1305 0.695,1306 0.616,1307 36.125,1308 32.041,1309 25.424,1310 0.446,1311 0.362,1312 20.446,1313 24.792,1314 19.965,1315 16.622,1316 25.424,1317 20.616,1318 22.23,1319 0.293,1320 0.211,1321 22.23,1322 16.003,1323 18.102,1324 0.187,1325 0.122,1326 18.102,1327 11.869,1328 14.879,1329 0.118,1330 0.068,1331 14.879,1332 8.54,1333 11.992,1334 0.076,1335 0.04,1336 11.992,1337 6.224,1338 0.132,1339 156.816,1340 0.16,1341 47.158,1342 0.178,1343 266,1344 566.093,1345 281.475,1346 558.814,1347 773.5,1348 526,1349 306,1350 571.245,1351 321.312,1352 585.077,1353 849.82,1354 552,1355 7.947} {0 CHEMBL500737,1 1.485,2 26.964,3 8.983,4 80.701,5 219.404,6 7.142,7 0.508,8 4.749,9 4.878,10 4.282,11 4.314,12 5.781,13 4.28,14 5.328,15 5.507,16 4.654,17 4.752,18 6.334,19 4.688,20 5.66,21 5.894,22 4.706,23 4.921,24 6.602,25 4.816,26 5.741,27 5.995,28 4.633,29 4.923,30 6.64,31 4.791,32 5.737,33 6.008,34 4.586,35 4.882,36 6.57,37 4.741,38 5.68,39 5.945,40 4.586,41 4.858,42 6.635,43 4.72,44 5.655,45 5.924,46 4.529,47 4.836,48 6.478,49 4.693,50 5.628,51 5.894,52 4.499,53 4.793,54 6.474,55 4.654,56 0.06,57 1.684,58 22.725,59 10.071,60 11.938,61 13.463,62 0.313,63 2.824,64 43.351,65 17.522,66 41.382,67 24.086,68 0.502,69 3.621,70 64.831,71 24.691,72 85.525,73 34.239,74 0.593,75 3.673,76 71.906,77 26.66,78 101.371,79 37.648,80 0.66,81 3.489,82 72.663,83 26.444,84 94.699,85 38.118,86 1.002,87 3.448,88 68.324,89 24.771,90 146.175,91 35.978,92 0.606,93 3.321,94 66.273,95 24.952,96 81.365,97 35.904,98 0.556,99 3.244,100 64.696,101 24.154,102 85.475,103 34.368,104 17,105 88,106 0.211,107 0.5,108 0.627,109 0.708,110 0.723,111 0.723,112 4.045,113 0.96,114 -6.27,115 -6.11,116 -5.68,119 43.4,121 8,122 2,125 6,140 14,141 6,142 4,149 2,150 2,156 2,169 23,172 8,174 2,176 12,178 24,182 8,186 14,189 17,193 12,197 10,199 16,203 8,207 2,208 2,211 24,215 4,218 2,220 4,222 30,225 1,226 4,229 2,231 2,233 24,237 6,240 2,242 6,244 20,249 4,254 6,256 20,259 9088,260 38.479,261 38.479,262 38.479,263 38.479,264 38.479,265 34.534,266 44.191,267 22.689,268 39.009,269 31.122,270 31.122,271 31.122,272 31.122,273 31.122,274 25.074,275 54.367,276 10.866,277 31.993,278 5.243,279 3.208,280 2.319,281 1.745,282 1.642,283 1.642,284 4.768,290 3380,291 4.69,294 329.785,295 1257.25,298 597.872,302 3.898,303 53.017,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.5,312 0.5,313 0.49,314 120,315 1510,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.296,336 6.057,337 3.838,338 2.84,339 3.763,340 0.8,341 8.719,342 2.83,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.8,350 8.719,351 2.83,352 3.824,353 2.886,354 5.778,355 3.594,356 2.629,357 3.215,359 7.905,360 2.547,361 3.823,362 2.886,363 5.778,364 3.592,365 2.626,366 3.215,368 7.905,369 2.545,370 3.677,371 2.851,372 5.325,373 3.352,374 2.403,375 2.975,377 6.894,378 2.273,379 3.676,380 2.847,381 5.323,382 3.345,383 2.397,384 2.975,386 6.89,387 2.264,388 3.522,389 2.579,390 5.248,391 3.219,392 2.264,393 2.802,395 6.595,396 2.146,397 3.519,398 2.577,399 5.247,400 3.209,401 2.256,402 2.802,404 6.593,405 2.132,406 3.382,407 2.255,408 4.997,409 3.055,410 2.092,411 2.492,413 5.926,414 2.004,415 3.373,416 2.253,417 4.997,418 3.049,419 2.087,420 2.482,422 5.926,423 1.996,424 2.906,425 1.961,426 4.584,427 2.725,428 1.734,429 2.015,431 4.458,432 1.716,433 2.884,434 1.961,435 4.583,436 2.528,437 1.54,438 2,440 4.45,441 1.52,442 2.786,443 1.762,444 4.067,445 2.481,446 1.495,447 1.817,449 3.53,450 1.471,451 26.638,452 0.476,453 1.245,454 0.022,455 68,456 1.214,457 32,458 0.571,459 36,460 0.643,461 62.269,462 1.112,463 60.362,464 0.569,465 57.913,466 1.034,467 12.755,468 0.228,469 14.602,470 0.261,471 0.046,473 0.33,477 2,479 0.652,480 1.131,481 0.809,482 1.041,483 0.502,484 0.961,485 0.684,486 1.083,487 0.929,488 1.069,489 0.478,490 1.037,491 0.872,492 1.016,493 0.992,494 1.044,495 0.727,496 1.034,497 0.824,498 0.947,499 1.011,500 1.056,501 0.746,502 1.059,503 0.67,504 0.797,505 0.887,506 0.929,507 0.637,508 0.94,509 0.501,510 0.769,511 0.912,512 0.946,513 0.388,514 0.98,515 0.549,516 0.832,517 0.89,518 0.969,519 0.478,520 0.978,521 0.686,522 0.878,523 0.916,524 0.985,525 0.645,526 0.988,527 10.5,528 0.28,529 6.444,530 2.889,531 2.766,532 1.688,533 0.988,534 0.957,535 0.729,536 0.393,537 95945,538 238865,539 2.168,540 47.2,541 6,542 26,543 2,545 4,547 12,550 1.867,551 2.074,552 4.648,553 1.179,559 157.373,560 1.485,561 3.52,562 4.409,563 4.982,564 5.086,565 5.086,566 4.066,567 4.522,568 5.781,569 4.868,570 7496.76,571 10.252,572 198721,577 713.16,578 1.235,579 5.758,580 0.167,581 0.005,582 0.073,583 0.032,584 0.035,585 0.022,586 0.013,587 0.013,588 0.01,589 0.006,590 0.376,592 0.5,593 0.376,594 365.224,595 -0.03,596 -0.054,597 0.049,598 0.02,599 -0.003,600 0.043,601 0.015,602 -0.061,603 -0.025,604 -0.049,605 0.078,606 -0.044,607 -0.055,608 -0.047,609 -0.036,610 -0.044,611 0.031,612 -0.036,613 -0.045,614 -0.064,615 -0.047,616 -0.072,617 0.007,618 -0.06,619 0.013,620 -0.008,621 0.078,622 0.039,623 0.017,624 0.062,625 0.183,626 0.086,627 0.048,628 0.025,629 0.199,630 0.018,631 0.066,632 0.01,633 0.062,634 0.015,635 0.049,636 0.035,637 0.017,638 -0.039,639 0.046,640 -0.004,641 0.022,642 0.018,643 2.026,644 5.719,645 0.75,646 113.184,647 0.996,648 1.129,649 5.044,650 25.439,651 0.663,652 4.159,653 4.489,654 4.771,655 5.03,656 5.278,657 5.38,658 5.521,659 5.694,660 5.796,661 5.911,662 15.13,663 0.627,664 757.02,665 4.159,666 5.714,667 6.569,668 7.445,669 8.315,670 9.196,671 10.073,672 10.958,673 11.84,674 12.728,675 5.7,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 106,716 34,717 4,718 63,720 113,721 46,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 8,745 30,746 16,747 2,750 2,755 2,759 2,762 2,764 50,765 8,766 4,767 10,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,815 2,819 6,825 2,827 56,833 14,834 2,837 2,838 2,846 2,847 1.9,850 2,854 27,855 18.519,856 12.139,857 6.921,858 5.88,859 1.549,860 1.026,861 12.052,862 16.586,863 4.407,864 5.001,865 5.59,866 6.173,867 6.69,868 6.996,869 7.365,870 7.763,871 7.934,872 8.276,873 0.944,874 89,875 20.889,877 9.131,878 7.696,879 40.728,881 35.06,883 2.196,884 123,888 541.471,889 239.014,890 75.841,892 50.29,893 29.92,895 239.014,896 591.761,897 105.761,899 68.932,900 150.762,901 59.699,902 81.463,903 57.751,904 517.928,906 541.471,907 314.855,908 80.21,911 430.138,912 191.543,915 108.752,916 206.104,919 571.391,920 126.131,921 239.014,924 541.471,925 88.252,926 157.011,927 69.593,928 80.21,929 541.471,930 156.051,931 239.014,933 0.583,934 0.338,935 0.178,936 0.1,937 42,938 18,939 0.115,940 13,941 2,942 1.095,943 6.662,944 602.197,945 0.095,946 42,947 253.212,951 38.235,952 17.651,953 9.329,954 4.459,955 122.48,956 27.432,958 6.856,961 4.266,963 69.593,964 936.536,965 81,970 25.439,974 -0.492,975 105.614,976 119.638,977 0.221,978 0.523,979 0.655,980 0.741,981 0.756,982 0.756,983 5.656,984 2.397,985 6.544,986 6.894,987 5.176,988 5.69,989 2.001,990 7.338,991 5.126,992 6.846,993 2.264,994 8.09,995 6.89,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.145,1002 2.256,1003 9.732,1004 6.595,1005 6.758,1006 7.883,1007 1.937,1008 11.284,1009 6.668,1010 9.479,1011 2.092,1012 11.434,1013 6.593,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.847,1020 2.087,1021 13.174,1022 5.926,1023 8.611,1024 10.418,1025 1.969,1026 15.604,1027 8.496,1028 12.24,1029 1.734,1030 14.942,1031 5.926,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.235,1037 13.654,1038 1.54,1039 16.731,1040 4.458,1041 10.627,1042 13.157,1043 2.032,1044 20.139,1045 10.498,1046 3.174,1047 1.495,1048 18.537,1049 4.45,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.435,1055 3.174,1056 10.947,1057 20.357,1058 3.53,1059 12.744,1060 16.016,1061 2.112,1062 24.791,1063 12.604,1064 2.84,1065 10.947,1066 22.187,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.638,1073 2.84,1074 8.719,1075 24.028,1076 4.52,1077 14.923,1078 18.943,1079 2.201,1080 29.505,1081 14.773,1082 2.629,1083 8.719,1084 25.876,1085 3.763,1086 16.009,1087 20.398,1088 0.104,1089 31.866,1090 15.853,1091 2.626,1092 7.905,1093 27.732,1094 3.763,1095 17.142,1096 21.907,1097 2.296,1098 34.252,1099 16.978,1100 2.403,1101 7.905,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.068,1107 36.628,1108 18.082,1109 86626,1110 137200,1111 43.342,1112 70.33,1113 94.78,1114 96.866,1115 96.138,1116 94.351,1117 94.171,1118 120.377,1119 7.433,1120 268.904,1121 91.73,1122 5.587,1123 5.574,1124 6.545,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 23.538,1132 1.504,1133 1.538,1134 1.526,1135 1.498,1136 1.495,1137 1.911,1138 0.118,1139 4.268,1140 1.456,1141 4.178,1142 4.214,1143 4.131,1144 4.091,1145 8.203,1146 4.097,1147 4.125,1148 4.159,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.927,1154 3.952,1155 3.881,1156 3.849,1157 7.431,1158 3.852,1159 3.914,1160 3.939,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.864,1166 3.929,1167 3.741,1168 3.719,1169 4.983,1170 3.715,1171 3.812,1172 3.877,1173 3.695,1174 3.669,1175 4.949,1176 3.666,1177 3.666,1178 3.729,1179 3.518,1180 3.552,1181 4.61,1182 3.534,1183 3.508,1184 3.565,1185 3.439,1186 3.341,1187 4.595,1188 3.351,1189 0.073,1190 0.057,1191 0.107,1192 0.066,1193 0.05,1194 4.587,1195 0.072,1196 3.574,1197 0.017,1198 6.719,1199 0.174,1200 4.163,1201 0.05,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.1,1210 2.075,1211 1.469,1212 2.085,1213 1.97,1214 1.946,1215 2.086,1216 2.068,1217 1.453,1218 2.075,1219 1.89,1220 1.864,1221 2.023,1222 2.026,1223 1.343,1224 2.027,1225 1.887,1226 1.863,1227 2.006,1228 2.013,1229 1.158,1230 2.014,1231 1.844,1232 1.791,1233 1.98,1234 1.961,1235 1.14,1236 1.965,1237 1.823,1238 1.771,1239 1.96,1240 1.957,1241 1.064,1242 1.959,1243 1.716,1244 1.657,1245 1.938,1246 1.873,1247 1.055,1248 1.903,1249 1.51,1250 1.444,1251 1.739,1252 1.714,1253 1.042,1254 1.72,1255 4.844,1257 6.172,1258 3.045,1259 7.684,1260 5.416,1261 9.278,1262 7.535,1263 10.917,1267 26.607,1271 16.269,1272 5.944,1275 0.977,1276 5.245,1280 66.441,1281 157.373,1282 373.14,1283 467.327,1284 528.14,1285 539.16,1286 539.16,1287 115.762,1288 10.707,1289 96.26,1290 96.26,1291 46,1292 13.26,1293 5.129,1294 4.248,1295 80.629,1296 530,1297 463,1298 0.071,1299 397.187,1300 693.56,1301 960.897,1302 1263760,1303 1.9,1304 38.434,1305 0.686,1306 0.567,1307 36.693,1308 31.759,1309 27.357,1310 0.434,1311 0.32,1312 19.956,1313 26.513,1314 19.62,1315 16.143,1316 26.569,1317 20.167,1318 24.707,1319 0.281,1320 0.177,1321 23.464,1322 15.577,1323 21.264,1324 0.182,1325 0.102,1326 20.443,1327 11.91,1328 17.5,1329 0.115,1330 0.057,1331 17.196,1332 8.684,1333 14.444,1334 0.074,1335 0.033,1336 14.022,1337 6.388,1338 0.122,1339 169.975,1340 0.152,1341 49.115,1342 0.173,1343 302,1344 842.315,1345 325.803,1346 775.04,1347 1055.66,1348 726,1349 356,1350 772.615,1351 378.796,1352 775.303,1353 1136.12,1354 734,1355 9.222} {0 CHEMBL500749,1 1.429,2 31.903,3 11.721,4 137.372,5 247.01,6 6.784,7 0.464,8 4.889,9 5.023,10 4.375,11 4.446,12 5.874,13 4.4,14 5.48,15 5.671,16 4.728,17 4.882,18 6.428,19 4.799,20 5.82,21 6.07,22 4.778,23 5.048,24 6.697,25 4.923,26 5.89,27 6.156,28 4.71,29 5.05,30 6.732,31 4.901,32 5.886,33 6.167,34 4.666,35 5.014,36 6.668,37 4.857,38 5.837,39 6.113,40 4.666,41 4.993,42 6.727,43 4.838,44 5.816,45 6.095,46 4.613,47 4.973,48 6.585,49 4.813,50 5.794,51 6.072,52 4.583,53 4.938,54 6.583,55 4.781,56 0.097,57 1.919,58 28.166,59 12.173,60 13.917,61 16.735,62 0.381,63 3.214,64 53.052,65 21.159,66 47.141,67 29.827,68 0.591,69 4.104,70 77.6,71 29.337,72 92.179,73 41.719,74 0.672,75 4.145,76 83.924,77 31.102,78 104.488,79 44.795,80 0.725,81 3.959,82 83.945,83 30.777,84 95.7,85 44.956,86 1.083,87 3.919,88 80.104,89 29.234,90 151.203,91 42.99,92 0.655,93 3.794,94 77.788,95 29.306,96 83.853,97 42.77,98 0.658,99 3.72,100 76.453,101 28.475,102 87.007,103 41.163,104 17,105 94,106 0.198,107 0.462,108 0.585,109 0.677,110 0.71,111 0.726,112 4.144,113 1.007,114 -7.21,115 -7,116 -6.47,119 41.9,121 14,122 2,125 6,140 14,141 6,142 4,149 2,150 2,156 2,169 29,172 8,174 2,176 12,178 30,182 8,186 14,189 23,193 12,197 10,199 22,203 8,207 2,208 2,211 29,215 6,218 2,220 4,222 34,226 6,229 2,231 2,233 27,237 8,240 2,242 6,244 26,249 2,254 6,256 27,259 12788,260 42.722,261 42.722,262 42.722,263 42.722,264 42.722,265 38.776,266 44.191,267 25.689,268 43.252,269 34.122,270 34.122,271 34.122,272 34.122,273 34.122,274 28.074,275 54.367,276 12.366,277 34.993,278 5.525,279 3.618,280 2.729,281 2.069,282 1.831,283 1.71,284 4.865,290 4400,291 5.292,294 389.801,295 1477.89,298 705.98,302 4.629,303 53.31,306 0.5,307 0.33,308 0.5,309 0.8,310 0.5,311 0.5,312 0.5,313 0.52,314 132,315 1978,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.296,336 6.057,337 3.838,338 2.84,339 3.763,340 0.8,341 8.719,342 2.83,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.8,350 8.719,351 2.83,352 3.824,353 2.886,354 5.778,355 3.593,356 2.628,357 3.215,359 7.905,360 2.546,361 3.824,362 2.886,363 5.778,364 3.593,365 2.628,366 3.215,368 7.905,369 2.546,370 3.676,371 2.849,372 5.324,373 3.349,374 2.4,375 2.975,377 6.892,378 2.269,379 3.676,380 2.849,381 5.324,382 3.348,383 2.4,384 2.975,386 6.892,387 2.268,388 3.521,389 2.578,390 5.247,391 3.215,392 2.261,393 2.802,395 6.594,396 2.141,397 3.521,398 2.578,399 5.247,400 3.214,401 2.26,402 2.802,404 6.594,405 2.139,406 3.378,407 2.254,408 4.997,409 3.054,410 2.09,411 2.487,413 5.926,414 2.004,415 3.377,416 2.254,417 4.997,418 3.052,419 2.09,420 2.487,422 5.926,423 2,424 2.943,425 1.961,426 4.583,427 2.921,428 1.924,429 2.013,431 4.454,432 1.914,433 2.897,434 1.961,435 4.583,436 2.728,437 1.733,438 2.008,440 4.454,441 1.723,442 2.872,443 1.932,444 4.067,445 2.548,446 1.557,447 1.919,449 3.864,450 1.541,451 29.638,452 0.478,453 1.245,454 0.02,455 71,456 1.145,457 32,458 0.516,459 39,460 0.629,461 75.239,462 1.214,463 68.162,464 0.55,465 58.929,466 0.95,467 12.755,468 0.206,469 17.602,470 0.284,471 0.042,473 0.297,477 2,479 0.657,480 1.168,481 0.867,482 1.092,483 0.503,484 1.019,485 0.68,486 1.122,487 0.974,488 1.121,489 0.473,490 1.089,491 0.847,492 1.009,493 0.968,494 1.028,495 0.706,496 1.014,497 0.811,498 0.952,499 0.988,500 1.04,501 0.733,502 1.037,503 0.662,504 0.816,505 0.88,506 0.931,507 0.627,508 0.935,509 0.495,510 0.79,511 0.901,512 0.945,513 0.381,514 0.969,515 0.549,516 0.863,517 0.882,518 0.97,519 0.468,520 0.969,521 0.691,522 0.853,523 0.912,524 0.953,525 0.628,526 0.961,527 10.5,528 0.313,529 6.444,530 2.889,531 2.766,532 1.688,533 0.988,534 0.988,535 0.704,536 0.373,537 138535,538 323695,539 2.151,540 50,541 18,542 26,543 2,545 4,547 12,550 1.887,551 2.067,552 4.876,553 1.112,559 177.228,560 1.429,561 3.337,562 4.225,563 4.885,564 5.123,565 5.245,566 4.285,567 4.696,568 5.93,569 5.119,570 9680.41,571 10.532,572 298172,577 862.32,578 1.181,579 5.909,580 0.152,581 0.005,582 0.069,583 0.03,584 0.032,585 0.02,586 0.012,587 0.013,588 0.009,589 0.005,590 0.347,592 0.5,593 0.351,594 421.648,595 -0.019,596 -0.05,597 0.051,598 0.018,599 0.008,600 0.039,601 0.027,602 -0.08,603 -0.033,604 -0.071,605 0.087,606 -0.063,607 -0.032,608 -0.039,609 -0.002,610 -0.023,611 0.046,612 -0.009,613 -0.03,614 -0.056,615 -0.022,616 -0.054,617 0.02,618 -0.038,619 0.022,620 -0.007,621 0.078,622 0.037,623 0.024,624 0.059,625 0.188,626 0.078,627 0.057,628 0.028,629 0.202,630 0.025,631 0.062,632 -0.007,633 0.066,634 0.014,635 0.055,636 0.037,637 0.015,639 0.048,640 0.024,641 0.029,642 0.037,643 2.019,644 5.719,645 0.677,646 141.38,647 0.991,648 1.13,649 5.981,650 35.767,651 0.652,652 4.248,653 4.554,654 4.82,655 5.069,656 5.308,657 5.407,658 5.545,659 5.714,660 5.811,661 5.922,662 18.1,663 0.61,664 841.2,665 4.248,666 5.79,667 6.635,668 7.499,669 8.361,670 9.234,671 10.105,672 10.984,673 11.862,674 12.746,675 4.8,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 124,716 34,717 4,718 69,720 131,721 52,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 14,745 30,746 22,747 2,750 2,755 2,759 2,762 2,764 62,765 8,766 4,767 10,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,815 2,819 6,825 2,827 62,833 20,834 2,837 2,838 2,846 2,847 1.6,850 2,854 30,855 21.519,856 13.639,857 8.421,858 5.83,859 1.542,860 1.008,861 15.339,862 16.589,863 4.477,864 5.04,865 5.612,866 6.185,867 6.698,868 7.001,869 7.369,870 7.765,871 7.936,872 8.277,873 0.952,874 95,875 23.156,877 9.984,878 7.629,879 45.627,881 39.06,883 2.129,884 132,888 682.724,889 254.221,890 75.841,892 50.29,893 29.92,895 254.221,896 733.014,897 105.761,899 84.139,900 150.762,901 59.699,902 81.463,903 57.751,904 659.182,906 682.724,907 330.062,908 80.21,911 571.391,912 191.543,915 123.959,916 206.104,919 712.644,920 126.131,921 254.221,924 682.724,925 103.459,926 157.011,927 69.593,928 80.21,929 682.724,930 156.051,931 254.221,933 0.575,934 0.33,935 0.173,936 0.096,937 42,938 18,939 0.145,940 19,941 2,942 1.095,943 7.3,944 658.686,945 0.095,946 42,947 291.16,951 43.977,952 21.625,953 11.888,954 4.511,955 122.48,956 27.568,958 6.873,961 4.348,963 69.593,964 1093,965 87,970 25.439,974 -0.475,975 122.915,976 140.129,977 0.206,978 0.48,979 0.608,980 0.703,981 0.737,982 0.754,983 5.717,984 2.4,985 6.594,986 6.892,987 5.242,988 5.73,989 2.001,990 7.368,991 5.195,992 6.89,993 2.261,994 8.126,995 6.892,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.178,1002 2.26,1003 9.757,1004 6.594,1005 6.799,1006 7.896,1007 1.937,1008 11.291,1009 6.713,1010 9.502,1011 2.09,1012 11.45,1013 6.594,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.864,1020 2.09,1021 13.184,1022 5.926,1023 8.633,1024 10.421,1025 1.969,1026 15.605,1027 8.52,1028 12.252,1029 1.924,1030 14.949,1031 5.926,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.235,1037 13.661,1038 1.733,1039 16.735,1040 4.454,1041 10.637,1042 13.158,1043 2.032,1044 20.139,1045 10.509,1046 3.174,1047 1.557,1048 18.54,1049 4.454,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.435,1055 3.174,1056 10.947,1057 20.358,1058 3.864,1059 12.748,1060 16.017,1061 2.112,1062 24.791,1063 12.609,1064 2.84,1065 10.947,1066 22.188,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.638,1073 2.84,1074 8.719,1075 24.028,1076 4.52,1077 14.925,1078 18.943,1079 2.201,1080 29.505,1081 14.775,1082 2.628,1083 8.719,1084 25.877,1085 3.763,1086 16.009,1087 20.398,1088 0.104,1089 31.866,1090 15.853,1091 2.628,1092 7.905,1093 27.732,1094 3.763,1095 17.143,1096 21.907,1097 2.296,1098 34.252,1099 16.979,1100 2.4,1101 7.905,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.068,1107 36.628,1108 18.082,1109 125652,1110 192930,1111 47.501,1112 80.899,1113 102.228,1114 104.497,1115 103.904,1116 101.998,1117 101.801,1118 128.008,1119 7.433,1120 284.16,1121 99.361,1122 5.587,1123 5.574,1124 6.664,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 25.472,1132 1.482,1133 1.514,1134 1.506,1135 1.478,1136 1.475,1137 1.855,1138 0.108,1139 4.118,1140 1.44,1141 4.181,1142 4.217,1143 4.133,1144 4.093,1145 8.203,1146 4.099,1147 4.125,1148 4.159,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.929,1154 3.957,1155 3.882,1156 3.851,1157 7.431,1158 3.853,1159 3.914,1160 3.939,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.87,1166 3.932,1167 3.741,1168 3.736,1169 4.983,1170 3.726,1171 3.829,1172 3.893,1173 3.708,1174 3.685,1175 4.949,1176 3.681,1177 3.763,1178 3.827,1179 3.612,1180 3.64,1181 4.611,1182 3.627,1183 3.652,1184 3.718,1185 3.497,1186 3.535,1187 4.595,1188 3.515,1189 0.066,1190 0.052,1191 0.097,1192 0.06,1193 0.046,1194 4.587,1195 0.066,1196 3.574,1197 0.015,1198 6.719,1199 0.159,1200 4.163,1201 0.045,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.101,1210 2.073,1211 1.47,1212 2.082,1213 1.971,1214 1.946,1215 2.092,1216 2.071,1217 1.46,1218 2.079,1219 1.889,1220 1.864,1221 2.059,1222 2.025,1223 1.421,1224 2.03,1225 1.888,1226 1.864,1227 2.014,1228 2.02,1229 1.323,1230 2.021,1231 1.848,1232 1.794,1233 2.003,1234 1.968,1235 1.184,1236 1.99,1237 1.833,1238 1.78,1239 1.973,1240 1.96,1241 1.144,1242 1.963,1243 1.795,1244 1.739,1245 1.96,1246 1.948,1247 1.123,1248 1.957,1249 1.697,1250 1.635,1251 1.937,1252 1.857,1253 1.055,1254 1.891,1255 4.934,1257 6.244,1258 3.045,1259 7.738,1260 5.416,1261 9.317,1262 7.535,1263 10.944,1267 26.616,1271 24.857,1272 5.959,1275 1.018,1276 5.287,1280 75.602,1281 177.228,1282 413.727,1283 523.882,1284 605.791,1285 635.301,1286 650.32,1287 136.521,1288 10.759,1289 96.26,1290 96.26,1291 46,1292 13.281,1293 5.129,1294 4.248,1295 94.465,1296 707,1297 577,1298 0.062,1299 454.741,1300 797.36,1301 1101.33,1302 1547360,1303 1.6,1304 42.677,1305 0.688,1306 0.581,1307 40.936,1308 36.001,1309 30.357,1310 0.44,1311 0.336,1312 22.956,1313 29.513,1314 22.562,1315 18.643,1316 29.569,1317 23.167,1318 26.829,1319 0.285,1320 0.188,1321 25.585,1322 17.698,1323 22.764,1324 0.185,1325 0.109,1326 21.943,1327 13.41,1328 18.56,1329 0.117,1330 0.062,1331 18.257,1332 9.745,1333 15.194,1334 0.076,1335 0.036,1336 14.772,1337 7.138,1338 0.107,1339 187.975,1340 0.145,1341 53.869,1342 0.145,1343 326,1344 866.315,1345 349.803,1346 800.01,1347 1090.22,1348 750,1349 380,1350 796.615,1351 402.796,1352 800.273,1353 1170.68,1354 758,1355 7.886} {0 CHEMBL501645,1 1.559,2 31.082,3 7.036,4 49.504,5 233.823,6 7.244,7 0.471,8 4.838,9 4.959,10 4.379,11 4.357,12 5.884,13 4.338,14 5.421,15 5.592,16 4.727,17 4.774,18 6.447,19 4.73,20 5.711,21 5.93,22 4.779,23 4.94,24 6.695,25 4.852,26 5.776,27 6.018,28 4.71,29 4.949,30 6.692,31 4.83,32 5.82,33 6.087,34 4.669,35 4.886,36 6.683,37 4.771,38 5.698,39 5.939,40 4.664,41 4.85,42 6.711,43 4.742,44 5.67,45 5.918,46 4.614,47 4.852,48 6.536,49 4.729,50 5.719,51 5.982,52 4.592,53 4.797,54 6.599,55 4.685,56 0.067,57 1.792,58 24.618,59 10.951,60 13.635,61 14.236,62 0.575,63 2.93,64 48.567,65 18.415,66 57.149,67 24.459,68 1.099,69 3.666,70 69.073,71 24.999,72 106.791,73 34.043,74 0.631,75 3.723,76 73.877,77 27.385,78 104.33,79 38.439,80 1.119,81 3.532,82 81.449,83 26.905,84 123.16,85 38.376,86 1.534,87 3.365,88 70.454,89 23.765,90 166.311,91 33.608,92 0.616,93 3.318,94 66.551,95 24.91,96 82.288,97 35.347,98 0.958,99 3.299,100 73.18,101 24.644,102 110.98,103 34.679,104 17,105 93,106 0.219,107 0.509,108 0.65,109 0.719,110 0.724,111 0.733,112 4.128,113 0.944,114 -4.4,115 -4.33,116 -4.08,119 41.7,121 4,122 2,125 12,140 14,141 6,142 4,149 2,150 2,156 2,169 20,172 6,174 2,176 12,178 22,181 4,182 6,186 14,189 16,193 10,197 10,199 12,203 10,207 2,208 2,211 18,214 3,215 6,218 2,220 4,222 22,226 6,229 2,231 2,233 14,237 12,240 2,242 4,244 12,248 2,249 4,252 2,254 4,256 12,259 12112,260 42.015,261 42.015,262 42.015,263 42.015,264 42.015,265 38.069,266 50.806,267 25.189,268 43.024,269 33.622,270 33.622,271 33.622,272 33.622,273 33.622,274 27.574,275 61.522,276 12.116,277 35.184,278 5.287,279 3.218,280 2.21,281 1.722,282 1.687,283 1.617,284 4.849,290 4222,291 5.196,294 379.902,295 1441.58,298 688.133,302 4.504,303 65.696,306 0.5,307 0.33,308 0.5,309 0.8,310 0.5,311 0.5,312 0.5,313 0.52,314 133,315 1896,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.296,336 6.057,337 3.838,338 2.84,339 3.763,340 0.86,341 8.719,342 2.83,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.86,350 8.719,351 2.83,352 3.824,353 2.886,354 5.778,355 3.592,356 2.628,357 3.215,358 0.86,359 7.905,360 2.545,361 3.824,362 2.886,363 5.778,364 3.592,365 2.628,366 3.215,367 0.8,368 7.905,369 2.545,370 3.676,371 2.863,372 5.324,373 3.347,374 2.4,375 2.975,376 0.8,377 6.892,378 2.263,379 3.676,380 2.861,381 5.324,382 3.347,383 2.4,384 2.975,386 6.892,387 2.263,388 3.521,389 2.602,390 5.247,391 3.212,392 2.261,393 2.802,395 6.594,396 2.131,397 3.521,398 2.59,399 5.247,400 3.211,401 2.26,402 2.802,404 6.594,405 2.131,406 3.378,407 2.517,408 4.997,409 3.051,410 2.09,411 2.487,413 5.926,414 1.996,415 3.377,416 2.323,417 4.997,418 3.05,419 2.089,420 2.487,422 5.926,423 1.996,424 2.936,425 2.255,426 4.583,427 2.783,428 1.91,429 2.013,431 4.454,432 1.657,433 2.895,434 2.237,435 4.583,436 2.592,437 1.692,438 2.007,440 4.454,441 1.542,442 2.864,443 2.03,444 4.067,445 2.523,446 1.544,447 1.905,449 3.839,450 1.508,451 28.638,452 0.469,453 1.245,454 0.02,455 72,456 1.18,457 32,458 0.525,459 40,460 0.656,461 67.196,462 1.102,463 67.362,464 0.586,465 64.614,466 1.059,467 14.26,468 0.234,469 15.596,470 0.256,471 0.043,473 0.307,477 2,479 0.723,480 1.207,481 0.794,482 1.13,483 0.537,484 0.998,485 1,486 1.059,487 0.987,488 1.018,489 0.595,490 1.001,491 0.943,492 0.983,493 1.037,494 0.996,495 0.798,496 1.026,497 0.74,498 1.042,499 0.994,500 1.158,501 0.764,502 1.13,503 0.923,504 0.757,505 0.901,506 0.849,507 0.728,508 0.869,509 0.791,510 0.737,511 0.997,512 0.891,513 0.517,514 0.967,515 0.597,516 0.966,517 0.915,518 1.099,519 0.529,520 1.074,521 0.942,522 0.822,523 0.923,524 0.902,525 0.724,526 0.908,527 10.5,528 0.313,529 6.444,530 2.889,531 2.766,532 1.688,533 0.988,534 0.988,535 0.704,536 0.373,537 130770,538 338450,539 2.154,540 47,541 2,542 38,543 2,545 4,547 8,550 1.884,551 2.068,552 4.84,553 1.172,559 179.27,560 1.559,561 3.628,562 4.636,563 5.124,564 5.159,565 5.228,566 4.267,567 4.685,568 5.907,569 5.08,570 9297.1,571 10.487,572 279728,577 787.231,578 1.19,579 5.885,580 0.154,581 0.005,582 0.069,583 0.031,584 0.033,585 0.021,586 0.012,587 0.013,588 0.009,589 0.005,590 0.352,592 0.63,593 0.355,594 412.192,595 -0.034,596 -0.101,597 0.055,598 -0.033,599 -0.011,600 0.02,601 -0.089,602 -0.034,603 -0.061,604 0.007,605 0.027,606 -0.018,607 -0.02,608 0.007,609 -0.075,610 0.008,611 0.014,612 -0.034,613 -0.021,614 -0.132,615 -0.05,616 -0.152,617 0.006,618 -0.113,619 -0.051,620 0.023,621 0.093,622 0.1,623 -0.014,624 0.119,625 0.113,626 0.145,627 -0.018,628 0.074,629 0.159,630 0.013,631 0.046,632 -0.089,633 0.022,634 -0.094,635 0.037,636 -0.05,637 -0.045,638 0.007,639 0.071,640 0.057,641 0.001,642 0.081,643 2.036,644 5.697,645 0.689,646 136.21,647 1.003,648 1.131,649 3.168,650 10.034,651 0.654,652 4.234,653 4.543,654 4.812,655 5.063,656 5.303,657 5.403,658 5.541,659 5.71,660 5.808,661 5.919,662 17.608,663 0.623,664 833.08,665 4.234,666 5.778,667 6.624,668 7.491,669 8.353,670 9.227,671 10.1,672 10.98,673 11.859,674 12.743,675 5.2,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 115,716 34,717 4,718 68,720 122,721 48,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 4,745 30,746 18,747 2,750 2,755 2,759 2,762 2,764 54,765 11,766 4,767 13,773 6,777 0.75,778 5,788 2,792 2,793 6,796 2,815 2,818 3,819 6,825 2,827 61,833 16,834 2,835 3,837 2,838 2,846 2,847 4.3,850 2,851 3,854 29.5,855 20.019,856 13.389,857 7.171,858 5.838,859 1.543,860 1.003,861 14.678,862 16.589,863 4.466,864 5.034,865 5.609,866 6.183,867 6.697,868 7,869 7.368,870 7.765,871 7.936,872 8.277,873 1,874 94,875 22.742,877 9.815,878 7.738,879 43.965,881 37.012,883 2.238,884 136.5,888 588.555,889 256.43,890 75.841,892 83.29,893 29.92,895 256.43,896 671.845,897 105.761,899 86.348,900 150.762,901 92.699,902 81.463,903 57.751,904 565.013,906 588.555,907 332.271,908 113.21,911 524.307,912 144.459,913 33,915 126.168,916 206.104,919 618.475,920 159.131,921 256.43,924 588.555,925 105.668,926 157.011,927 69.593,928 113.21,929 588.555,930 189.051,931 256.43,933 0.576,934 0.331,935 0.174,936 0.097,937 42,938 18,939 0.148,940 18,941 2,942 1.095,943 7.195,944 649.127,945 0.095,946 42,947 285.775,951 42.905,952 20.868,953 11.389,954 4.33,955 155.48,956 27.102,958 6.791,961 4.078,963 69.593,964 1034.04,965 86,970 25.393,974 -0.527,975 115.363,976 130.096,977 0.228,978 0.53,979 0.677,980 0.748,981 0.754,982 0.764,983 5.707,984 2.4,985 6.586,986 6.892,987 5.231,988 5.724,989 2.471,990 7.363,991 5.158,992 6.882,993 2.261,994 8.12,995 6.892,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.172,1002 2.26,1003 9.753,1004 6.594,1005 6.792,1006 7.894,1007 2.324,1008 11.29,1009 6.676,1010 9.498,1011 2.09,1012 11.447,1013 6.594,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.861,1020 2.089,1021 13.183,1022 5.926,1023 8.629,1024 10.421,1025 2.26,1026 15.605,1027 8.495,1028 12.25,1029 1.91,1030 14.948,1031 5.926,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.234,1037 13.66,1038 1.692,1039 16.735,1040 4.454,1041 10.635,1042 13.158,1043 2.244,1044 20.139,1045 10.495,1046 3.174,1047 1.544,1048 18.539,1049 4.454,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.434,1055 3.174,1056 10.947,1057 20.358,1058 3.839,1059 12.747,1060 16.017,1061 2.261,1062 24.791,1063 12.602,1064 2.84,1065 10.947,1066 22.188,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.637,1073 2.84,1074 8.719,1075 24.028,1076 4.52,1077 14.925,1078 18.943,1079 2.304,1080 29.505,1081 14.771,1082 2.628,1083 8.719,1084 25.877,1085 3.763,1086 16.009,1087 20.398,1088 0.104,1089 31.866,1090 15.852,1091 2.628,1092 7.905,1093 27.732,1094 3.763,1095 17.143,1096 21.907,1097 2.366,1098 34.252,1099 16.977,1100 2.4,1101 7.905,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.068,1107 36.628,1108 18.081,1109 118516,1110 191082,1111 46.808,1112 75.217,1113 101.033,1114 103.747,1115 102.572,1116 100.57,1117 100.513,1118 126.72,1119 12.593,1120 281.582,1121 96.508,1122 5.587,1123 5.574,1124 6.655,1125 5.271,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 25.157,1132 1.486,1133 1.526,1134 1.508,1135 1.479,1136 1.478,1137 1.864,1138 0.185,1139 4.141,1140 1.419,1141 4.178,1142 4.214,1143 4.131,1144 4.091,1145 8.203,1146 4.097,1147 4.125,1148 4.159,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.927,1154 3.952,1155 3.882,1156 3.849,1157 7.431,1158 3.852,1159 3.914,1160 3.939,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.841,1166 3.903,1167 3.724,1168 3.685,1169 4.984,1170 3.685,1171 3.818,1172 3.881,1173 3.702,1174 3.67,1175 4.949,1176 3.668,1177 3.66,1178 3.697,1179 3.528,1180 3.431,1181 4.715,1182 3.446,1183 3.549,1184 3.598,1185 3.453,1186 3.36,1187 4.607,1188 3.371,1189 0.067,1190 0.053,1191 0.099,1192 0.061,1193 0.047,1194 4.587,1195 0.066,1196 3.574,1197 0.016,1198 6.719,1199 0.161,1200 4.163,1201 0.046,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.97,1208 1.946,1209 2.086,1210 2.07,1211 1.452,1212 2.076,1213 1.97,1214 1.946,1215 2.086,1216 2.07,1217 1.452,1218 2.076,1219 1.888,1220 1.864,1221 2.006,1222 2.017,1223 1.155,1224 2.016,1225 1.888,1226 1.864,1227 2.006,1228 2.016,1229 1.154,1230 2.016,1231 1.824,1232 1.772,1233 1.961,1234 1.959,1235 1.075,1236 1.96,1237 1.824,1238 1.772,1239 1.961,1240 1.958,1241 1.059,1242 1.96,1243 1.592,1244 1.548,1245 1.834,1246 1.857,1247 1.053,1248 1.849,1249 1.535,1250 1.479,1251 1.768,1252 1.767,1253 1.031,1254 1.768,1255 4.92,1257 6.232,1258 3.045,1259 7.729,1260 5.416,1261 9.31,1262 7.535,1263 10.94,1267 26.585,1271 13.553,1272 5.899,1273 17.518,1275 0.868,1276 4.91,1280 71.639,1281 179.27,1282 417.18,1283 533.134,1284 589.231,1285 593.231,1286 601.231,1287 134.388,1288 10.751,1289 123.95,1290 123.95,1291 46,1292 13.278,1293 5.129,1294 4.248,1295 92.097,1296 676,1297 557,1298 0.063,1299 428.361,1300 754.53,1301 1036.96,1302 1499080,1303 1.7,1304 41.969,1305 0.688,1306 0.564,1307 40.229,1308 34.398,1309 29.857,1310 0.439,1311 0.315,1312 21.07,1313 28.578,1314 20.752,1315 16.966,1316 29.069,1317 21.399,1318 26.475,1319 0.285,1320 0.172,1321 25.232,1322 16,1323 22.514,1324 0.185,1325 0.099,1326 21.693,1327 12.059,1328 18.383,1329 0.117,1330 0.055,1331 18.08,1332 8.589,1333 15.069,1334 0.075,1335 0.031,1336 14.647,1337 6.179,1338 0.109,1339 187.975,1340 0.146,1341 53.093,1342 0.149,1343 322,1344 993.522,1345 354.438,1346 894.805,1347 1202.54,1348 842,1349 376,1350 851.525,1351 407.101,1352 848.972,1353 1244.2,1354 802,1355 8.409} {0 CHEMBL502138,1 1.341,2 25.96,3 8.482,4 71.948,5 206.143,6 6.192,7 0.364,8 4.754,9 4.9,10 4.16,11 4.276,12 5.648,13 4.213,14 5.366,15 5.579,16 4.495,17 4.72,18 6.184,19 4.615,20 5.693,21 5.953,22 4.522,23 4.899,24 6.447,25 4.745,26 5.773,27 6.057,28 4.479,29 4.904,30 6.509,31 4.727,32 5.726,33 6.014,34 4.438,35 4.823,36 6.49,37 4.653,38 5.633,39 5.909,40 4.395,41 4.758,42 6.417,43 4.601,44 5.592,45 5.866,46 4.358,47 4.712,48 6.407,49 4.552,50 5.571,51 5.85,52 4.223,53 4.656,54 6.371,55 4.484,56 0.134,57 1.606,58 27.188,59 10.637,60 15.132,61 15.718,62 0.429,63 2.66,64 49.809,65 18.406,66 36.176,67 27.693,68 0.515,69 3.304,70 67.904,71 25.165,72 57.093,73 37.547,74 0.525,75 3.409,76 72.898,77 27.067,78 67.492,79 40.447,80 0.619,81 3.202,82 70.03,83 25.026,84 73.757,85 37.493,86 0.606,87 3.005,88 64.339,89 22.249,90 62.611,91 33.712,92 0.596,93 2.859,94 61.668,95 21.538,96 68.892,97 32.606,98 0.641,99 2.735,100 60.684,101 20.728,102 66.779,103 31.154,104 17,105 74,106 0.192,107 0.446,108 0.607,109 0.678,110 0.702,111 0.721,112 3.934,113 1.07,114 -5.34,115 -5.22,116 -4.88,119 38.2,121 16,122 2,124 2,125 4,140 6,141 4,142 2,149 2,150 2,156 2,169 23,172 6,174 2,176 12,178 24,182 4,186 12,189 21,193 8,197 8,199 20,203 8,207 2,208 4,211 21,215 6,218 2,220 6,222 20,226 6,229 2,231 4,233 17,237 8,240 2,242 4,244 20,249 2,254 4,256 19,259 6856,260 34.275,261 34.275,262 34.275,263 34.275,264 34.275,265 31.755,266 38.838,267 20.855,268 34.673,269 27.233,270 27.233,271 27.233,272 27.233,273 27.233,274 23.206,275 49.09,276 10.089,277 27.825,278 5.44,279 3.663,280 2.542,281 2.046,282 1.878,283 1.741,284 4.645,289 1,290 2866,291 5.099,294 315.759,295 742.106,298 556.46,302 3.728,303 33.133,306 0.75,307 0.5,308 0.67,309 0.9,310 1,311 0.67,312 0.5,313 0.71,314 105,315 1298,316 4.586,317 3.592,318 6.719,319 4.161,320 3.173,321 4.52,322 1.907,323 10.946,324 3.137,325 4.586,326 3.592,327 6.719,328 4.161,329 3.173,330 4.52,331 1.907,332 10.946,333 3.137,334 3.881,335 3.295,336 5.783,337 3.622,338 2.643,339 3.237,340 0.8,341 7.948,342 2.586,343 3.881,344 3.295,345 5.783,346 3.622,347 2.643,348 3.237,349 0.8,350 7.948,351 2.586,352 3.673,353 2.782,354 5.417,355 3.444,356 2.47,357 2.894,358 0.149,359 7.111,360 2.409,361 3.673,362 2.782,363 5.417,364 3.444,365 2.47,366 2.894,367 0.149,368 7.111,369 2.409,370 3.407,371 2.534,372 5.035,373 3.146,374 2.186,375 2.62,377 6.012,378 2.093,379 3.407,380 2.534,381 5.035,382 3.144,383 2.185,384 2.619,386 6.012,387 2.091,388 3.287,389 2.236,390 4.792,391 2.993,392 2.011,393 2.39,395 5.412,396 1.961,397 3.287,398 2.236,399 4.792,400 2.98,401 1.997,402 2.39,404 5.411,405 1.944,406 2.928,407 1.941,408 4.543,409 2.893,410 1.891,411 1.954,413 4.353,414 1.888,415 2.849,416 1.775,417 4.543,418 2.686,419 1.682,420 1.953,422 4.353,423 1.686,424 2.849,425 1.525,426 3.966,427 2.486,428 1.502,429 1.926,431 3.851,432 1.476,433 2.73,434 1.522,435 3.964,436 2.486,437 1.502,438 1.727,440 3.443,441 1.476,442 2.553,443 1.522,444 3.927,445 2.388,446 1.385,447 1.569,449 3.052,450 1.387,451 24.067,452 0.481,453 1.006,454 0.02,455 51.5,456 1.03,457 20,458 0.4,459 31.5,460 0.63,461 62.275,462 1.246,463 56.933,464 0.518,465 39.051,466 0.781,467 8.643,468 0.173,469 15.78,470 0.316,471 0.069,473 0.283,479 0.838,480 1.421,481 0.995,482 1.206,483 0.56,484 1.123,485 0.833,486 1.197,487 1.047,488 1.116,489 0.501,490 1.096,491 0.993,492 1.06,493 1.043,494 1.057,495 0.935,496 1.055,497 0.834,498 1.033,499 0.958,500 1.037,501 0.832,502 1.013,503 1.019,504 0.979,505 0.932,506 0.966,507 1.168,508 0.949,509 1.163,510 1.003,511 1.034,512 1,513 1.18,514 1.003,515 1.037,516 1.079,517 1.009,518 1.056,519 1.126,520 1.033,521 1.438,522 0.961,523 1.145,524 1.02,525 1.631,526 1.052,527 8.5,528 0.23,529 4.667,530 2.639,531 2.081,532 1.202,533 0.991,534 0.741,535 0.44,536 0.263,537 73477,538 136447,539 2.12,540 54.5,541 22,542 20,543 2,545 4,546 4,547 8,550 1.839,551 2.027,552 4.584,553 1.218,559 147.549,560 1.341,561 3.119,562 4.239,563 4.736,564 4.904,565 5.04,566 3.974,567 4.484,568 5.623,569 4.823,570 5908.17,571 9.914,572 151222,577 745.95,578 1.218,579 5.594,580 0.155,581 0.005,582 0.063,583 0.036,584 0.031,585 0.018,586 0.016,587 0.013,588 0.009,589 0.006,590 0.351,592 0.63,593 0.404,594 319.968,595 -0.005,596 -0.103,597 0.059,598 -0.005,599 0.024,600 0.026,601 0.052,602 -0.015,603 -0.02,604 -0.023,605 0.098,606 -0.026,607 -0.072,608 -0.019,609 -0.048,610 -0.022,611 -0.028,612 -0.031,613 0.002,614 -0.053,615 0.016,616 -0.027,617 0.026,618 -0.007,619 0.025,620 -0.014,621 0.058,622 0.018,623 -0.011,624 0.036,625 -0.035,626 0.011,627 -0.024,628 -0.017,629 -0.052,630 -0.019,631 0.06,632 -0.075,633 -0.005,634 -0.063,635 0.03,636 -0.042,637 -0.115,638 0.032,639 -0.124,640 -0.05,641 -0.142,642 -0.082,643 1.548,644 5.664,645 0.6,646 88.445,647 0.983,648 1.133,649 4.107,650 16.871,651 0.632,652 4.025,653 4.317,654 4.564,655 4.828,656 5.05,657 5.153,658 5.298,659 5.425,660 5.438,661 5.46,662 14.989,663 0.58,664 681.08,665 4.025,666 5.557,667 6.392,668 7.255,669 8.112,670 8.986,671 9.856,672 10.738,673 11.618,674 12.506,675 5.5,678 2,682 2,683 2,687 4,688 8,690 2,693 4,695 20,714 110,716 22,717 2,718 55,720 115,721 42,722 16,723 6,724 6,730 6,731 8,740 4,741 2,743 16,745 18,746 24,747 2,750 2,755 2,759 2,764 60,765 6,766 4,767 8,773 6,777 0.667,778 2,788 2,792 2,793 4,796 2,805 2,815 2,819 4,823 2,827 50,833 20,834 2,837 2,838 2,847 1.8,850 2,854 24.667,855 19.567,856 11.083,857 7.564,858 3.844,859 1.415,860 0.983,861 13.627,862 13.109,863 4.22,864 4.749,865 5.295,866 5.9,867 6.397,868 6.77,869 7.19,870 7.57,871 7.567,872 7.754,873 0.941,874 73,875 18.692,877 7.875,878 7.447,879 37.579,881 32.041,883 1.947,884 97.333,888 659.182,889 171.449,890 75.841,892 50.29,895 171.449,896 709.472,897 75.841,898 16.793,899 84.997,900 74.952,901 59.699,902 56.85,903 27.83,904 635.64,906 659.182,907 247.29,908 50.29,911 565.013,912 144.459,915 124.817,916 122.473,919 659.182,920 126.131,921 171.449,924 659.182,925 79.703,926 97.994,927 69.593,928 50.29,929 659.182,930 126.131,931 171.449,933 0.57,934 0.32,935 0.171,936 0.096,937 32,938 14,939 0.148,940 17,941 2,942 1.133,943 6.287,944 485.156,945 0.133,946 30,947 224.193,951 36.817,952 18.506,953 10.546,954 4.804,955 92.56,956 16.872,958 6.869,961 4.599,963 69.593,964 956.761,965 67,970 25.327,974 0.238,975 108.123,976 124.619,977 0.198,978 0.46,979 0.625,980 0.698,981 0.723,982 0.743,983 5.46,984 2.185,985 6.347,986 6.012,987 5.004,988 5.438,989 2.709,990 7.114,991 4.964,992 6.617,993 2.011,994 7.871,995 6.012,996 4.443,997 5.215,998 2.262,999 7.928,1000 4.386,1001 7.899,1002 1.997,1003 9.497,1004 5.412,1005 6.547,1006 7.586,1007 3.595,1008 11.047,1009 6.47,1010 9.218,1011 1.891,1012 11.186,1013 5.411,1014 6.847,1015 8.303,1016 3.716,1017 12.778,1018 6.76,1019 10.578,1020 1.682,1021 12.92,1022 4.353,1023 8.375,1024 10.145,1025 4.727,1026 15.409,1027 8.271,1028 11.967,1029 1.502,1030 14.687,1031 4.353,1032 9.101,1033 11.302,1034 5.099,1035 17.528,1036 8.991,1037 13.381,1038 1.502,1039 16.48,1040 3.851,1041 10.39,1042 12.942,1043 5.942,1044 19.999,1045 10.265,1046 3.173,1047 1.385,1048 18.292,1049 3.443,1050 11.331,1051 14.299,1052 6.442,1053 22.279,1054 11.203,1055 3.173,1056 10.946,1057 20.121,1058 3.052,1059 12.523,1060 15.859,1061 7.194,1062 24.697,1063 12.382,1064 2.643,1065 10.946,1066 21.963,1067 4.52,1068 13.571,1069 17.304,1070 7.761,1071 27.043,1072 13.425,1073 2.643,1074 7.948,1075 23.816,1076 4.52,1077 14.727,1078 18.832,1079 8.464,1080 29.444,1081 14.57,1082 2.47,1083 7.948,1084 25.678,1085 3.237,1086 15.826,1087 20.313,1088 9.067,1089 31.817,1090 15.663,1091 2.47,1092 7.111,1093 27.547,1094 3.237,1095 16.972,1096 21.829,1097 9.744,1098 34.211,1099 16.798,1100 2.186,1101 7.111,1102 29.422,1103 2.894,1104 18.096,1105 23.326,1106 10.367,1107 36.596,1108 17.915,1109 67270,1110 91884,1111 37.561,1112 69.501,1113 80.753,1114 82.264,1115 82.34,1116 80.525,1117 80.502,1118 98.024,1119 11.424,1120 222.232,1121 78.879,1122 5.586,1123 5.592,1124 6.664,1125 5.197,1126 5.173,1127 7.52,1128 3.306,1129 18.076,1130 5.137,1131 21.66,1132 1.468,1133 1.496,1134 1.497,1135 1.464,1136 1.464,1137 1.782,1138 0.208,1139 4.041,1140 1.434,1141 4.173,1142 4.21,1143 4.125,1144 4.086,1145 7.431,1146 4.092,1147 4.124,1148 4.158,1149 4.084,1150 4.043,1151 7.427,1152 4.049,1153 3.838,1154 3.9,1155 3.697,1156 3.716,1157 4.981,1158 3.699,1159 3.815,1160 3.88,1161 3.693,1162 3.67,1163 4.949,1164 3.667,1165 3.81,1166 3.875,1167 3.689,1168 3.666,1169 4.384,1170 3.663,1171 3.738,1172 3.796,1173 3.61,1174 3.598,1175 4.379,1176 3.587,1177 3.642,1178 3.698,1179 3.527,1180 3.472,1181 4.322,1182 3.473,1183 3.525,1184 3.588,1185 3.406,1186 3.34,1187 4.295,1188 3.351,1189 0.083,1190 0.065,1191 0.122,1192 0.076,1193 0.058,1194 4.586,1195 0.082,1196 3.592,1197 0.035,1198 6.719,1199 0.199,1200 4.161,1201 0.057,1202 3.173,1203 4.52,1204 1.907,1205 10.946,1206 3.137,1207 1.966,1208 1.94,1209 2.087,1210 2.064,1211 1.443,1212 2.073,1213 1.965,1214 1.94,1215 2.085,1216 2.064,1217 1.443,1218 2.072,1219 1.836,1220 1.779,1221 2.073,1222 2.003,1223 1.44,1224 2.022,1225 1.826,1226 1.771,1227 2.003,1228 1.997,1229 1.341,1230 2.001,1231 1.818,1232 1.761,1233 1.984,1234 1.973,1235 1.19,1236 1.989,1237 1.738,1238 1.681,1239 1.966,1240 1.9,1241 1.14,1242 1.928,1243 1.602,1244 1.545,1245 1.852,1246 1.793,1247 1.133,1248 1.81,1249 1.464,1250 1.396,1251 1.688,1252 1.698,1253 0.981,1254 1.691,1255 4.71,1257 6.009,1258 3.045,1259 7.487,1260 5.416,1261 9.056,1262 7.535,1263 10.679,1265 4.398,1271 21.951,1272 6.293,1275 1.175,1276 4.807,1280 63.782,1281 147.549,1282 343.059,1283 466.324,1284 520.93,1285 539.42,1286 554.44,1287 103.873,1288 9.265,1289 96.26,1290 96.26,1291 34,1292 13.039,1293 4.524,1294 3.7,1295 81.721,1296 473,1297 365,1298 0.079,1299 388.773,1300 674.58,1301 940.365,1302 257833,1304 34.71,1305 0.694,1306 0.613,1307 34.71,1308 30.627,1309 24.424,1310 0.444,1311 0.357,1312 19.446,1313 23.792,1314 18.985,1315 15.788,1316 24.424,1317 19.616,1318 21.523,1319 0.291,1320 0.207,1321 21.523,1322 15.296,1323 17.602,1324 0.185,1325 0.12,1326 17.602,1327 11.369,1328 14.525,1329 0.117,1330 0.066,1331 14.525,1332 8.187,1333 11.742,1334 0.076,1335 0.039,1336 11.742,1337 5.974,1338 0.138,1339 150.816,1340 0.163,1341 45.52,1342 0.188,1343 258,1344 558.093,1345 273.475,1346 550.491,1347 761.98,1348 518,1349 298,1350 563.245,1351 313.312,1352 576.754,1353 838.3,1354 544,1355 8.77} {0 CHEMBL503468,1 1.475,2 27.789,3 9.44,4 89.106,5 224.005,6 7.074,7 0.5,8 4.774,9 4.904,10 4.298,11 4.338,12 5.797,13 4.301,14 5.355,15 5.536,16 4.666,17 4.775,18 6.35,19 4.708,20 5.689,21 5.925,22 4.719,23 4.943,24 6.619,25 4.834,26 5.768,27 6.024,28 4.646,29 4.945,30 6.656,31 4.81,32 5.763,33 6.037,34 4.6,35 4.905,36 6.587,37 4.762,38 5.708,39 5.975,40 4.6,41 4.882,42 6.651,43 4.741,44 5.683,45 5.954,46 4.543,47 4.86,48 6.497,49 4.713,50 5.658,51 5.928,52 4.511,53 4.821,54 6.494,55 4.678,56 0.066,57 1.723,58 23.648,59 10.422,60 12.348,61 14.015,62 0.325,63 2.889,64 45.014,65 18.134,66 42.586,67 25.064,68 0.518,69 3.702,70 67.053,71 25.479,72 86.958,73 35.527,74 0.608,75 3.752,76 73.986,77 27.41,78 102.137,79 38.872,80 0.672,81 3.567,82 74.599,83 27.172,84 95.052,85 39.282,86 1.017,87 3.527,88 70.357,89 25.523,90 147.302,91 37.176,92 0.594,93 3.399,94 68.232,95 25.612,96 81.975,97 37.027,98 0.627,99 3.326,100 66.918,101 24.86,102 86.464,103 35.444,104 17,105 89,106 0.209,107 0.494,108 0.621,109 0.708,110 0.729,111 0.729,112 4.062,113 0.969,114 -6.43,115 -6.26,116 -5.81,119 43.1,121 9,122 2,125 6,140 14,141 6,142 4,149 2,150 2,156 2,169 24,172 8,174 2,176 12,178 25,182 8,186 14,189 18,193 12,197 10,199 17,203 8,207 2,208 2,211 24,215 6,218 2,220 4,222 30,226 4,229 2,231 2,233 24,236 1,237 6,240 2,242 6,244 24,254 6,256 22,259 9646,260 39.186,261 39.186,262 39.186,263 39.186,264 39.186,265 35.241,266 44.191,267 23.189,268 39.717,269 31.622,270 31.622,271 31.622,272 31.622,273 31.622,274 25.574,275 54.367,276 11.116,277 32.493,278 5.294,279 3.278,280 2.382,281 1.766,282 1.615,283 1.615,284 4.785,290 3542,291 4.796,294 339.912,295 1294.57,298 616.092,302 4.026,303 53.073,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.5,312 0.5,313 0.49,314 122,315 1584,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.296,336 6.057,337 3.838,338 2.84,339 3.763,340 0.8,341 8.719,342 2.83,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.8,350 8.719,351 2.83,352 3.824,353 2.886,354 5.778,355 3.594,356 2.628,357 3.215,359 7.905,360 2.546,361 3.824,362 2.886,363 5.778,364 3.592,365 2.627,366 3.215,368 7.905,369 2.546,370 3.676,371 2.85,372 5.324,373 3.35,374 2.401,375 2.975,377 6.892,378 2.271,379 3.676,380 2.849,381 5.323,382 3.347,383 2.399,384 2.975,386 6.891,387 2.266,388 3.521,389 2.579,390 5.248,391 3.218,392 2.263,393 2.802,395 6.594,396 2.144,397 3.52,398 2.577,399 5.247,400 3.211,401 2.258,402 2.802,404 6.594,405 2.135,406 3.38,407 2.254,408 4.997,409 3.055,410 2.091,411 2.489,413 5.926,414 2.004,415 3.375,416 2.253,417 4.997,418 3.05,419 2.088,420 2.484,422 5.926,423 1.997,424 2.91,425 1.961,426 4.583,427 2.785,428 1.792,429 2.014,431 4.456,432 1.775,433 2.887,434 1.961,435 4.583,436 2.54,437 1.551,438 2.002,440 4.451,441 1.533,442 2.794,443 1.815,444 4.067,445 2.497,446 1.51,447 1.826,449 3.63,450 1.488,451 27.138,452 0.476,453 1.245,454 0.022,455 68.5,456 1.202,457 32,458 0.561,459 36.5,460 0.64,461 64.401,462 1.13,463 61.662,464 0.566,465 58.082,466 1.019,467 12.755,468 0.224,469 15.102,470 0.265,471 0.046,473 0.324,477 2,479 0.653,480 1.138,481 0.819,482 1.05,483 0.502,484 0.972,485 0.683,486 1.09,487 0.937,488 1.078,489 0.477,490 1.046,491 0.867,492 1.014,493 0.987,494 1.041,495 0.723,496 1.03,497 0.822,498 0.948,499 1.006,500 1.053,501 0.743,502 1.055,503 0.668,504 0.8,505 0.885,506 0.929,507 0.635,508 0.939,509 0.5,510 0.773,511 0.909,512 0.945,513 0.386,514 0.978,515 0.556,516 0.853,517 0.888,518 0.973,519 0.476,520 0.977,521 0.696,522 0.824,523 0.922,524 0.949,525 0.644,526 0.966,527 10.5,528 0.33,529 6.444,530 2.889,531 2.766,532 1.688,533 0.988,534 0.988,535 0.679,536 0.393,537 102390,538 252030,539 2.165,540 47.7,541 8,542 26,543 2,545 4,547 12,550 1.871,551 2.073,552 4.688,553 1.167,559 160.734,560 1.475,561 3.49,562 4.386,563 5.002,564 5.154,565 5.154,566 4.122,567 4.5,568 5.807,569 4.913,570 7841.47,571 10.3,572 213482,577 737.732,578 1.226,579 5.784,580 0.164,581 0.005,582 0.072,583 0.032,584 0.034,585 0.022,586 0.013,587 0.013,588 0.01,589 0.006,590 0.371,592 0.5,593 0.371,594 374.576,595 -0.028,596 -0.053,597 0.05,598 0.02,599 -0.001,600 0.042,601 0.018,602 -0.064,603 -0.026,604 -0.053,605 0.08,606 -0.048,607 -0.05,608 -0.045,609 -0.029,610 -0.04,611 0.034,612 -0.03,613 -0.042,614 -0.062,615 -0.042,616 -0.068,617 0.01,618 -0.056,619 0.015,620 -0.008,621 0.078,622 0.039,623 0.018,624 0.062,625 0.184,626 0.085,627 0.05,628 0.026,629 0.2,630 0.02,631 0.057,632 -0.009,633 0.063,634 0.011,635 0.05,636 0.034,637 0.015,638 0.019,639 0.042,640 0.028,641 0.022,642 0.036,643 2.024,644 5.719,645 0.737,646 117.492,647 0.995,648 1.129,649 5.203,650 27.072,651 0.661,652 4.174,653 4.5,654 4.779,655 5.037,656 5.283,657 5.384,658 5.525,659 5.697,660 5.796,661 5.911,662 15.628,663 0.624,664 771.05,665 4.174,666 5.727,667 6.581,668 7.454,669 8.323,670 9.202,671 10.078,672 10.962,673 11.844,674 12.731,675 5.5,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 109,716 34,717 4,718 64,720 116,721 47,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 9,745 30,746 17,747 2,750 2,755 2,759 2,762 2,764 52,765 8,766 4,767 10,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,815 2,819 6,825 2,827 57,833 15,834 2,837 2,838 2,846 2,847 1.8,850 2,854 27.5,855 19.019,856 12.389,857 7.171,858 5.871,859 1.548,860 1.023,861 12.58,862 16.587,863 4.419,864 5.007,865 5.594,866 6.175,867 6.692,868 6.997,869 7.365,870 7.763,871 7.934,872 8.276,873 1,874 90,875 21.266,877 9.273,878 7.684,879 41.545,881 35.727,883 2.184,884 124.5,888 565.013,889 241.549,890 75.841,892 50.29,893 29.92,895 241.549,896 615.303,897 105.761,899 71.467,900 150.762,901 59.699,902 81.463,903 57.751,904 541.471,906 565.013,907 317.39,908 80.21,911 453.68,912 191.543,915 111.286,916 206.104,919 594.933,920 126.131,921 241.549,924 565.013,925 90.786,926 157.011,927 69.593,928 80.21,929 565.013,930 156.051,931 241.549,933 0.582,934 0.337,935 0.177,936 0.099,937 42,938 18,939 0.121,940 14,941 2,942 1.095,943 6.77,944 611.44,945 0.095,946 42,947 260.475,951 39.189,952 18.297,953 9.734,954 4.47,955 122.48,956 27.46,958 6.859,961 4.284,963 69.593,964 962.613,965 82,970 25.437,974 -0.489,975 108.497,976 123.053,977 0.218,978 0.516,979 0.648,980 0.739,981 0.761,982 0.761,983 5.666,984 2.399,985 6.553,986 6.892,987 5.187,988 5.697,989 2.001,990 7.343,991 5.138,992 6.853,993 2.263,994 8.096,995 6.891,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.15,1002 2.258,1003 9.737,1004 6.594,1005 6.765,1006 7.885,1007 1.937,1008 11.285,1009 6.676,1010 9.483,1011 2.091,1012 11.436,1013 6.594,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.85,1020 2.088,1021 13.176,1022 5.926,1023 8.615,1024 10.418,1025 1.969,1026 15.604,1027 8.5,1028 12.242,1029 1.792,1030 14.943,1031 5.926,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.235,1037 13.655,1038 1.551,1039 16.732,1040 4.456,1041 10.629,1042 13.157,1043 2.032,1044 20.139,1045 10.5,1046 3.174,1047 1.51,1048 18.538,1049 4.451,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.435,1055 3.174,1056 10.947,1057 20.357,1058 3.63,1059 12.744,1060 16.016,1061 2.112,1062 24.791,1063 12.605,1064 2.84,1065 10.947,1066 22.188,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.638,1073 2.84,1074 8.719,1075 24.028,1076 4.52,1077 14.923,1078 18.943,1079 2.201,1080 29.505,1081 14.773,1082 2.628,1083 8.719,1084 25.876,1085 3.763,1086 16.009,1087 20.398,1088 0.104,1089 31.866,1090 15.853,1091 2.627,1092 7.905,1093 27.732,1094 3.763,1095 17.142,1096 21.907,1097 2.296,1098 34.252,1099 16.978,1100 2.401,1101 7.905,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.068,1107 36.628,1108 18.082,1109 92512,1110 145710,1111 44.035,1112 72.092,1113 96.052,1114 98.078,1115 97.458,1116 95.595,1117 95.416,1118 121.623,1119 7.433,1120 271.386,1121 92.976,1122 5.587,1123 5.574,1124 6.582,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 23.868,1132 1.501,1133 1.532,1134 1.523,1135 1.494,1136 1.491,1137 1.9,1138 0.116,1139 4.24,1140 1.453,1141 4.179,1142 4.215,1143 4.131,1144 4.092,1145 8.203,1146 4.097,1147 4.125,1148 4.159,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.927,1154 3.953,1155 3.882,1156 3.849,1157 7.431,1158 3.852,1159 3.914,1160 3.939,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.865,1166 3.93,1167 3.74,1168 3.722,1169 4.983,1170 3.717,1171 3.817,1172 3.881,1173 3.699,1174 3.673,1175 4.949,1176 3.67,1177 3.692,1178 3.755,1179 3.54,1180 3.578,1181 4.61,1182 3.56,1183 3.524,1184 3.583,1185 3.443,1186 3.374,1187 4.595,1188 3.373,1189 0.072,1190 0.056,1191 0.105,1192 0.065,1193 0.05,1194 4.587,1195 0.071,1196 3.574,1197 0.017,1198 6.719,1199 0.171,1200 4.163,1201 0.049,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.1,1210 2.074,1211 1.469,1212 2.084,1213 1.97,1214 1.946,1215 2.087,1216 2.069,1217 1.454,1218 2.076,1219 1.89,1220 1.864,1221 2.029,1222 2.026,1223 1.366,1224 2.028,1225 1.888,1226 1.864,1227 2.007,1228 2.015,1229 1.176,1230 2.016,1231 1.844,1232 1.792,1233 1.987,1234 1.962,1235 1.142,1236 1.967,1237 1.825,1238 1.773,1239 1.962,1240 1.958,1241 1.106,1242 1.96,1243 1.738,1244 1.68,1245 1.948,1246 1.894,1247 1.055,1248 1.923,1249 1.548,1250 1.483,1251 1.795,1252 1.739,1253 1.053,1254 1.756,1255 4.86,1257 6.184,1258 3.045,1259 7.693,1260 5.416,1261 9.285,1262 7.535,1263 10.922,1267 26.608,1271 17.683,1272 5.947,1275 0.986,1276 5.255,1280 67.968,1281 160.734,1282 380.39,1283 478.086,1284 545.203,1285 561.732,1286 561.732,1287 119.096,1288 10.716,1289 96.26,1290 96.26,1291 46,1292 13.264,1293 5.129,1294 4.248,1295 82.873,1296 558,1297 481,1298 0.069,1299 406.78,1300 710.86,1301 984.302,1302 1310020,1303 1.8,1304 39.141,1305 0.687,1306 0.57,1307 37.401,1308 32.466,1309 27.857,1310 0.435,1311 0.323,1312 20.456,1313 27.013,1314 20.111,1315 16.559,1316 27.069,1317 20.667,1318 25.061,1319 0.282,1320 0.179,1321 23.817,1322 15.93,1323 21.514,1324 0.182,1325 0.103,1326 20.693,1327 12.16,1328 17.676,1329 0.116,1330 0.058,1331 17.373,1332 8.861,1333 14.569,1334 0.074,1335 0.033,1336 14.147,1337 6.513,1338 0.119,1339 172.975,1340 0.151,1341 49.925,1342 0.167,1343 306,1344 846.315,1345 329.803,1346 779.202,1347 1061.42,1348 730,1349 360,1350 776.615,1351 382.796,1352 779.465,1353 1141.88,1354 738,1355 9.523} {0 CHEMBL50492,1 1.233,2 7,3 3.461,4 11.976,5 70.084,6 6.01,7 0.588,8 3.632,9 3.783,10 3.022,11 3.161,12 4.555,13 3.091,14 4.187,15 4.422,16 3.314,17 3.548,18 4.978,19 3.449,20 4.357,21 4.59,22 3.286,23 3.681,24 5.133,25 3.528,26 4.502,27 4.794,28 3.134,29 3.648,30 5.172,31 3.448,32 4.365,33 4.675,34 3.003,35 3.467,36 4.997,37 3.269,38 4.126,39 4.379,40 2.908,41 3.34,42 4.887,43 3.168,44 4.194,45 4.503,46 2.503,47 3.211,48 4.853,49 2.968,50 3.988,51 4.352,52 2.113,53 2.886,54 4.494,55 2.598,56 0.05,57 0.514,58 8.888,59 3.383,60 7.221,61 5.103,62 0.117,63 0.811,64 15.224,65 5.387,66 10.841,67 8.312,68 0.096,69 0.924,70 17.637,71 7.147,72 13.881,73 10.534,74 0.121,75 0.965,76 19.862,77 7.718,78 16.3,79 11.551,80 0.136,81 0.825,82 17.256,83 6.553,84 13.374,85 9.831,86 0.093,87 0.71,88 13.99,89 5.083,90 12.274,91 7.8,92 0.124,93 0.684,94 14.67,95 4.927,96 13.812,97 7.766,98 0.077,99 0.49,100 11.314,101 4.25,102 9.48,103 6.439,104 16,105 23,106 0.229,107 0.56,108 0.768,109 0.813,110 0.813,111 0.813,112 2.853,113 1.048,114 -3.91,115 -3.87,116 -3.67,119 38.9,120 1,121 2,124 2,125 1,140 3,141 3,149 1,150 1,169 8,172 1,176 3,178 9,182 1,186 3,189 9,193 1,197 1,199 6,203 1,206 1,208 1,211 3,215 2,220 1,222 1,226 2,237 1,259 268,260 10.732,261 10.732,262 10.732,263 10.732,264 10.732,265 9.602,266 10.38,267 6.359,268 10.901,269 8.325,270 8.325,271 8.325,272 8.325,273 8.325,274 6.537,275 7.767,276 2.953,277 8.58,278 3.937,279 2.149,280 1.028,281 0.785,282 0.785,283 0.785,284 3.502,288 1,289 1,290 228,291 2.828,294 32.225,295 37.738,298 59.034,302 1.125,303 4.719,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 33,315 112,316 4.55,317 3.175,318 6.547,319 4.08,320 3.092,321 4.504,322 0.8,323 10.36,324 3.054,325 3.704,326 2.644,327 5.295,328 3.366,329 2.375,330 3.122,332 6.738,333 2.358,334 3.376,335 2.516,336 5.103,337 3.136,338 2.205,339 2.681,341 5.971,342 2.056,343 3.145,344 2.066,345 4.624,346 2.853,347 1.887,348 2.182,350 5.024,351 1.814,352 2.722,353 1.318,354 4.13,355 2.248,356 1.271,357 1.819,359 3.446,360 1.24,361 2.24,362 0.976,363 3.296,364 1.842,365 0.877,366 1.15,368 1.944,369 0.844,370 1.688,371 0.625,372 2.905,373 1.513,374 0.527,375 0.595,377 1.026,378 0.519,379 1.467,380 0.337,381 2.758,382 1.255,383 0.277,384 0.325,386 0.491,387 0.27,388 0.747,389 -0.372,390 2.208,391 0.399,392 -0.574,393 -0.696,395 -1.244,396 -0.556,397 0.623,398 -0.6,399 2,400 0.161,401 -0.833,402 -1,404 -2,405 -0.826,406 0.147,407 -0.733,408 1.878,409 -0.1,410 -1,411 -1.116,413 -2.554,414 -0.9,416 -0.939,417 1.535,418 -0.129,419 -1.093,420 -1.382,422 -2.989,423 -1.051,424 -0.213,425 -1.32,426 1,427 -0.587,428 -1.542,429 -1.741,431 -3.907,432 -1.46,433 -0.31,434 -1.481,435 0.897,436 -0.618,437 -1.608,438 -2.063,440 -4.485,441 -1.599,442 -0.5,443 -1.749,444 0.747,445 -0.927,446 -1.913,447 -2.533,449 -5.125,450 -1.865,451 7.8,452 0.488,453 0.383,454 0.024,455 17.75,456 1.109,457 8,458 0.5,459 9.75,460 0.609,461 12.584,462 0.787,463 18,464 0.5,465 10.21,466 0.638,467 3.46,468 0.216,469 4.243,470 0.265,471 0.192,473 0.308,479 1.145,480 1.445,481 1.04,482 1.205,483 1.172,484 1.131,485 1.619,486 0.875,487 0.984,488 0.801,489 0.892,490 0.84,491 0.87,492 1.207,493 1.13,494 1.22,495 1.031,496 1.198,497 0.83,498 1.031,499 0.989,500 1.042,501 1.08,502 1.029,503 0.713,504 0.886,505 0.851,506 0.896,507 0.78,508 0.885,509 1.234,510 1.361,511 1.24,512 1.297,513 1.109,514 1.274,515 1.659,516 1.046,517 1.294,518 1.103,519 1.548,520 1.161,521 0.721,522 0.694,523 0.762,524 0.739,525 0.684,526 0.751,527 3.5,529 1.778,530 0.854,531 0.733,532 0.455,533 0.309,534 0.128,535 0.09,537 1814,538 3236,539 1.993,540 55.6,541 5,542 11,543 1,545 1,547 2,550 1.552,551 1.846,552 2.839,553 -0.352,555 1,556 1,557 1,559 44.376,560 1.233,561 3.021,562 4.142,563 4.385,564 4.385,565 4.385,566 2.258,567 3.625,568 3.966,569 2.947,570 353.602,571 6.685,572 3035.01,573 1,574 1,576 1,577 186.117,578 1.477,579 3.918,580 0.206,582 0.077,583 0.041,584 0.043,585 0.03,586 0.024,587 0.018,588 0.018,590 0.457,591 0.83,592 1,593 1.578,594 64.249,595 0.061,596 -0.179,597 0.053,598 -0.056,599 -0.039,600 -0.011,601 -0.182,602 0.271,603 0.075,604 0.22,605 0.075,606 0.175,607 -0.063,608 -0.137,609 -0.134,610 -0.15,611 -0.069,612 -0.147,613 -0.008,614 -0.078,615 -0.032,616 -0.058,617 -0.101,618 -0.049,619 0.195,620 0.041,621 0.104,622 0.056,623 0.107,624 0.071,625 -0.097,626 -0.308,627 -0.233,628 -0.296,629 -0.056,630 -0.278,631 -0.307,632 -0.078,633 -0.311,634 -0.204,635 -0.37,636 -0.248,637 0.052,638 0.105,639 0.141,640 0.143,641 0.148,642 0.147,643 0.411,644 0.845,645 0.563,646 10.438,647 0.977,648 1.131,649 2.682,650 7.193,651 0.635,652 2.89,653 3.178,654 3.401,655 3.638,656 3.829,657 3.871,658 3.871,659 3.85,660 3.466,661 3.178,662 4.319,663 0.577,664 216.36,665 2.89,666 4.394,667 5.22,668 6.084,669 6.942,670 7.816,671 8.687,672 9.566,673 10.443,674 11.324,675 5.6,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 36,716 10,717 1,718 17,720 37,721 14,722 8,723 3,724 3,730 2,731 3,736 1,743 2,745 8,746 6,761 1,764 20,765 1,766 1,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,815 1,819 1,823 3,827 16,833 3,838 1,854 8.667,855 7.283,856 3.639,857 2.299,858 2.09,859 1.35,860 0.967,861 3.42,862 8.053,863 3.135,864 3.744,865 4.365,866 4.992,867 5.494,868 5.806,869 6.124,870 6.406,871 6.005,872 5.829,873 0.8,874 21,875 5.914,877 2.346,878 7.354,879 11.837,881 9.462,883 1.854,884 29.667,885 0.008,888 223.651,889 81.357,890 19.91,895 81.357,896 223.651,897 19.91,898 25.618,899 7.175,900 37.476,902 28.854,903 13.915,904 211.88,906 223.651,907 101.267,911 200.109,912 23.542,915 35.91,916 65.357,919 223.651,920 19.91,921 81.357,924 223.651,925 18.263,926 66.218,927 16.786,929 223.651,930 19.91,931 81.357,933 0.57,934 0.317,935 0.166,936 0.098,937 11,938 5,939 0.108,940 4,941 1,942 1.222,943 2.828,944 103.924,945 0.222,946 9,947 62,951 11.371,952 4.812,953 2.537,954 2.646,955 3.124,956 8.853,958 3.345,961 2.845,963 16.786,964 324.918,965 22,975 35.156,976 40.733,977 0.238,978 0.584,979 0.801,980 0.848,981 0.848,982 0.848,983 4.337,984 0.277,985 5.198,986 1.026,987 3.85,988 4.425,989 0.673,990 5.979,991 3.8,992 5.54,993 -0.574,994 6.739,995 0.491,996 3.434,997 4.311,998 0.325,999 6.862,1000 3.359,1001 6.845,1002 -0.833,1003 8.38,1004 -1.244,1005 5.407,1006 6.704,1007 0.379,1008 9.924,1009 5.324,1010 8.195,1011 -1,1012 10.079,1013 -2,1014 5.802,1015 7.476,1016 0.268,1017 11.668,1018 5.707,1019 9.58,1020 -1.093,1021 11.818,1022 -2.554,1023 7.259,1024 9.344,1025 0.239,1026 14.26,1027 7.156,1028 10.993,1029 -1.542,1030 13.587,1031 -2.989,1032 8.038,1033 10.524,1034 0.188,1035 16.363,1036 7.928,1037 12.427,1038 -1.608,1039 15.378,1040 -3.907,1041 9.289,1042 12.178,1043 0.156,1044 18.795,1045 9.171,1046 3.092,1047 -1.913,1048 17.186,1049 -4.485,1050 10.255,1051 13.543,1052 0.125,1053 21.042,1054 10.129,1055 2.375,1056 10.36,1057 19.009,1058 -5.125,1059 11.425,1060 15.11,1061 0.102,1062 23.415,1063 11.29,1064 2.205,1065 6.738,1066 20.843,1067 4.504,1068 12.479,1069 16.555,1070 0.082,1071 25.718,1072 12.335,1073 1.887,1074 5.971,1075 22.686,1076 3.122,1077 13.619,1078 18.085,1079 0.066,1080 28.07,1081 13.465,1082 1.271,1083 5.024,1084 24.536,1085 2.681,1086 14.713,1087 19.565,1088 0.054,1089 30.394,1090 14.548,1091 0.877,1092 3.446,1093 26.393,1094 2.182,1095 15.844,1096 21.08,1097 0.043,1098 32.737,1099 15.668,1100 0.527,1101 1.944,1102 28.254,1103 1.819,1104 16.956,1105 22.574,1106 0.035,1107 35.07,1108 16.769,1109 1917,1110 2620,1111 11.038,1112 22.864,1113 25.079,1114 24.907,1115 26.021,1116 25.058,1117 25.022,1118 32.752,1119 1.6,1120 69.997,1121 24.312,1122 5.382,1123 5.175,1124 6.096,1125 5.08,1126 5.092,1127 7.504,1128 1.2,1129 17.025,1130 5.054,1131 8.252,1132 1.475,1133 1.465,1134 1.531,1135 1.474,1136 1.472,1137 1.927,1138 0.094,1139 4.117,1140 1.43,1141 4.136,1142 4.17,1143 4.092,1144 4.059,1145 4.959,1146 4.063,1147 3.672,1148 3.751,1149 3.537,1150 3.525,1151 4.348,1152 3.518,1153 3.555,1154 3.631,1155 3.411,1156 3.36,1157 4.29,1158 3.361,1159 3.241,1160 3.323,1161 3.047,1162 3.086,1163 3.908,1164 3.067,1165 3.073,1166 3.174,1167 2.859,1168 2.852,1169 3.763,1170 2.84,1171 2.874,1172 3.009,1173 2.667,1174 2.716,1175 3.502,1176 2.696,1177 2.849,1178 2.921,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.444,1184 2.555,1185 2.229,1186 2.276,1187 3.076,1188 2.254,1189 0.268,1190 0.187,1191 0.385,1192 0.24,1193 0.182,1194 4.55,1195 0.265,1196 3.175,1197 0.047,1198 6.547,1199 0.609,1200 4.08,1201 0.18,1202 3.092,1203 4.504,1204 0.8,1205 10.36,1206 3.054,1207 1.969,1208 1.946,1209 2.073,1210 2.044,1211 1.289,1212 2.055,1213 1.691,1214 1.628,1215 1.914,1216 1.902,1217 1.143,1218 1.911,1219 1.47,1220 1.393,1221 1.741,1222 1.711,1223 0.889,1224 1.717,1225 1.436,1226 1.357,1227 1.692,1228 1.632,1229 0.778,1230 1.668,1231 1.073,1232 0.975,1233 1.417,1234 1.334,1235 0.505,1236 1.371,1237 0.934,1238 0.804,1239 1.406,1240 1.239,1241 0.469,1242 1.308,1243 0.867,1244 0.8,1245 1.131,1246 1.047,1247 0.278,1248 1.082,1249 0.715,1250 0.636,1251 1.068,1252 0.927,1253 0.141,1254 0.98,1255 3.555,1257 4.844,1258 2.398,1259 6.323,1260 4.727,1261 7.893,1262 6.823,1263 9.52,1265 6.436,1271 3.317,1276 2.225,1280 20.784,1281 44.376,1282 108.759,1283 149.098,1284 157.853,1285 157.853,1286 157.853,1287 17.213,1288 5.964,1289 19.03,1290 19.03,1291 11,1292 11.86,1293 3.459,1294 2.585,1295 25.937,1296 40,1297 39,1298 0.332,1299 132.155,1300 215.68,1301 314.219,1302 2318,1304 11.544,1305 0.721,1306 0.649,1307 11.544,1308 10.378,1309 7.703,1310 0.453,1311 0.349,1312 5.882,1313 7.515,1314 5.593,1315 4.756,1316 7.703,1317 5.94,1318 6.82,1319 0.297,1320 0.2,1321 6.82,1322 4.601,1323 5.363,1324 0.185,1325 0.106,1326 5.363,1327 3.068,1328 4.214,1329 0.114,1330 0.054,1331 4.214,1332 1.996,1333 3.406,1334 0.076,1335 0.031,1336 3.406,1337 1.408,1338 0.5,1339 47.452,1340 0.301,1341 16.09,1342 0.964,1343 80,1344 161.978,1345 83.136,1346 165.382,1347 232.82,1348 156,1349 92,1350 174.38,1351 95.83,1352 184.37,1353 264.93,1354 171,1355 7.796} {0 CHEMBL50498,1 1.635,2 6.353,3 1.799,4 3.235,5 64.914,6 8.38,7 0.842,8 3.454,9 3.573,10 3.109,11 2.996,12 4.725,13 3.015,14 3.868,15 4.005,16 3.472,17 3.373,18 5.144,19 3.371,20 4.058,21 4.234,22 3.458,23 3.43,24 5.244,25 3.411,26 4.042,27 4.216,28 3.386,29 3.358,30 5.287,31 3.326,32 4.015,33 4.228,34 3.133,35 3.206,36 5.196,37 3.14,38 3.85,39 4.103,40 2.953,41 2.955,42 5.004,43 2.898,44 3.582,45 3.833,46 2.533,47 2.612,48 4.875,49 2.518,50 3.19,51 3.498,52 1.564,53 2.023,54 4.215,55 1.849,56 0.082,57 0.442,58 4.554,59 1.963,60 11.17,61 2.215,62 0.13,63 0.672,64 7.089,65 3.359,66 13.31,67 4.055,68 0.17,69 0.744,70 10.192,71 3.969,72 20.242,73 4.883,74 0.202,75 0.709,76 10.025,77 4.079,78 20.86,79 5.065,80 0.243,81 0.652,82 11.208,83 3.95,84 29.921,85 5.104,86 0.216,87 0.551,88 10.466,89 3.265,90 24.476,91 4.481,92 0.221,93 0.395,94 8.028,95 2.425,96 29.434,97 3.394,98 0.152,99 0.243,100 6.346,101 1.589,102 21.521,103 2.249,104 5,105 27,106 0.314,107 0.698,108 0.842,109 0.899,110 0.899,111 0.899,112 2.911,113 0.811,114 -2.33,115 -2.36,116 -2.32,119 44.4,140 4,141 2,142 1,143 1,144 1,148 1,149 1,150 1,161 1,162 1,163 1,169 3,171 1,172 3,173 2,174 2,176 5,178 4,182 1,186 3,189 4,193 1,195 1,196 1,197 5,199 1,201 2,203 3,206 1,208 2,211 2,213 1,215 1,218 1,219 1,221 1,222 1,226 2,229 1,230 1,231 2,232 1,235 2,237 1,242 1,246 1,259 288,260 11.569,261 11.569,262 11.569,263 11.569,264 11.569,265 9.654,266 5.319,267 6.781,268 11.82,269 9.382,270 9.382,271 9.382,272 9.382,273 9.382,274 6.578,275 3.663,276 3.202,277 9.803,278 3.12,279 1.121,280 0.37,281 0.074,282 0.074,283 0.074,284 3.586,288 1,289 1,290 234,291 1.732,294 29.314,295 82.356,298 56.484,302 0.962,303 16.006,306 1,307 1,308 1,309 0.4,311 1,312 1,313 0.77,314 37,315 108,316 4.668,317 3.272,318 6.886,319 4.212,320 3.231,321 4.627,323 11.497,324 3.168,325 4.047,326 2.694,327 5.877,328 3.579,329 2.631,330 3.675,332 8.142,333 2.498,334 3.51,335 2.276,336 5.043,337 3.073,338 2.136,339 2.882,341 5.916,342 1.993,343 3.414,344 2.099,345 5.015,346 2.929,347 1.984,348 2.799,350 5.672,351 1.868,352 2.964,353 1.512,354 4.324,355 2.474,356 1.492,357 2.178,359 3.874,360 1.463,361 2.681,362 1.218,363 3.8,364 2.168,365 1.204,366 1.766,368 2.742,369 1.158,370 2.5,371 1,372 3.472,373 1.952,374 1,375 1.5,377 2.457,378 0.95,379 2.159,380 0.815,381 3.305,382 1.641,383 0.708,384 1.01,386 1.755,387 0.657,388 1.049,389 -0.04,390 2.486,391 0.629,392 -0.307,393 -0.395,395 -0.707,396 -0.284,397 0.952,398 -0.248,399 2.364,400 0.526,401 -0.402,402 -0.51,404 -0.896,405 -0.371,406 0.765,407 -0.618,408 2,409 0.318,410 -0.633,411 -0.854,413 -1.74,414 -0.601,415 0.5,416 -1,417 2,418 -0.03,419 -1,420 -1.5,422 -2.675,423 -0.967,424 0.081,425 -1.11,426 1.861,427 -0.343,428 -1.276,429 -1.725,431 -3.312,432 -1.188,433 -0.086,434 -1.27,435 1.527,436 -0.466,437 -1.382,438 -1.844,440 -3.409,441 -1.261,442 -0.134,443 -1.515,444 1.257,445 -0.589,446 -1.547,447 -2.167,449 -4.463,450 -1.486,451 7.933,452 0.467,453 0.418,454 0.025,455 26.5,456 1.559,457 15,458 0.882,459 11.5,460 0.676,461 8.609,462 0.506,463 17.267,464 0.64,465 16.329,466 0.961,467 5.347,468 0.315,469 2.907,470 0.171,471 0.092,473 0.378,479 1.127,480 1.101,481 0.76,482 0.774,483 1.149,484 0.702,485 0.624,486 0.973,487 0.72,488 0.968,489 0.535,490 0.883,491 1.084,492 1.062,493 0.946,494 0.986,495 0.963,496 0.942,497 0.957,498 1.13,499 1.022,500 1.211,501 1.025,502 1.153,503 1.132,504 1.126,505 1.172,506 1.147,507 1.146,508 1.175,509 1.001,510 0.896,511 0.973,512 0.931,513 1.031,514 0.939,515 0.952,516 1.015,517 1.203,518 1.103,519 0.939,520 1.184,521 1.563,522 0.777,523 1.479,524 0.864,525 1.749,526 1.095,527 3,529 2,530 1.313,531 1.006,532 0.295,533 0.279,534 0.099,535 0.02,537 2226,538 6777,539 2.127,540 37,542 4,543 1,544 1,545 4,550 1.574,551 2,552 2.734,553 2.12,557 1,559 44.143,560 1.635,561 3.634,562 4.385,563 4.681,564 4.681,565 4.681,566 2.162,567 3.852,568 4.064,569 2.792,570 379.759,571 6.891,572 3335.39,574 1,576 1,577 128.382,578 1.379,579 4.023,580 0.158,582 0.074,583 0.05,584 0.044,585 0.017,586 0.02,587 0.012,588 0.01,590 0.386,591 0.5,592 1,593 0.604,594 68.429,595 -0.254,596 0.019,597 -0.027,598 0.157,599 -0.295,600 0.123,601 0.114,602 0.12,603 0.036,604 -0.018,605 0.101,606 -0.014,607 -0.18,608 -0.053,609 -0.074,610 -0.026,611 -0.104,612 -0.021,613 0.033,614 -0.154,615 -0.129,616 -0.245,617 -0.018,618 -0.226,619 -0.087,620 -0.206,621 -0.18,622 -0.176,623 -0.079,624 -0.199,625 0.013,626 0.025,627 0.102,628 0.02,629 -0.03,630 0.067,631 0.18,632 -0.121,633 -0.106,634 -0.157,635 0.264,636 -0.183,637 -0.366,638 0.052,639 -0.241,640 0.087,641 -0.406,642 -0.024,643 1.452,644 3.877,645 0.882,646 8.879,647 1.014,648 1.128,649 1.097,650 1.204,651 0.695,652 2.996,653 3.332,654 3.638,655 3.951,656 4.127,657 4.143,658 4.205,659 4.263,660 4.143,661 4.007,662 4.002,663 0.681,664 226.26,665 2.996,666 4.533,667 5.398,668 6.293,669 7.179,670 8.081,671 8.973,672 9.878,673 10.775,674 11.68,675 14.8,679 1,683 1,685 2,687 2,688 6,689 2,690 1,693 4,695 16,705 1,711 1,714 27,716 16,717 1,718 19,720 29,721 12,722 12,723 3,724 3,730 3,731 4,745 12,761 1,764 10,765 4,766 4,767 5,773 4,777 0.667,778 1,787 1,788 1,792 1,793 2,796 1,819 2,827 17,828 1,832 1,847 3.7,849 1,854 8.5,855 4.683,856 3.694,857 1.413,858 3.189,859 1.494,860 1.022,861 2.231,862 9.644,863 3.332,864 4.021,865 4.702,866 5.377,867 5.91,868 6.241,869 6.667,870 7.104,871 7.278,872 7.53,873 1,874 26,875 6.209,877 2.677,878 7.882,879 11.586,881 9.481,883 2.382,884 40.5,885 0.001,888 70.627,889 68.558,890 83.254,892 42.683,895 68.558,896 113.31,897 83.254,900 79.85,901 88.026,902 34.348,903 15.814,904 47.084,906 70.627,907 151.812,908 42.683,911 70.627,912 42.683,915 30.489,916 87.752,917 33.571,919 70.627,920 125.937,921 68.558,924 70.627,925 12.559,926 56,927 16.786,928 109.152,929 70.627,930 125.937,931 68.558,933 0.584,934 0.348,935 0.201,936 0.107,937 15,938 6,939 0.034,940 1,941 1,942 1.133,943 2.925,944 124.964,945 0.133,946 15,947 69.487,951 10.112,952 3.75,953 1.626,954 1.6,955 109.152,956 10.466,957 7.989,958 3.086,961 1.931,963 92.366,964 265.122,965 27,975 27.385,976 30.448,977 0.344,978 0.764,979 0.922,980 0.984,981 0.984,982 0.984,983 4.543,984 0.708,985 5.389,986 2.457,987 4.007,988 4.705,990 6.232,991 3.926,992 5.784,993 -0.307,994 6.963,995 1.755,996 3.611,997 4.559,999 7.213,1000 3.496,1001 7.11,1002 -0.402,1003 8.642,1004 -0.707,1005 5.617,1006 7.031,1008 10.363,1009 5.476,1010 8.479,1011 -0.633,1012 10.386,1013 -0.896,1014 6.066,1015 7.764,1017 12.233,1018 5.906,1019 9.883,1020 -1,1021 12.172,1022 -1.74,1023 7.548,1024 9.678,1026 14.906,1027 7.367,1028 11.313,1029 -1.276,1030 13.99,1031 -2.675,1032 8.392,1033 10.834,1035 17.128,1036 8.2,1037 12.764,1038 -1.382,1039 15.83,1040 -3.312,1041 9.669,1042 12.516,1044 19.645,1045 9.459,1046 3.231,1047 -1.547,1048 17.689,1049 -3.409,1050 10.694,1051 13.875,1053 22.003,1054 10.473,1055 2.631,1056 11.497,1057 19.561,1058 -4.463,1059 11.895,1060 15.462,1062 24.469,1063 11.658,1064 2.136,1065 8.142,1066 21.444,1067 4.627,1068 13,1069 16.914,1071 26.878,1072 12.749,1073 1.984,1074 5.916,1075 23.336,1076 3.675,1077 14.175,1078 18.464,1080 29.327,1081 13.908,1082 1.492,1083 5.672,1084 25.235,1085 2.882,1086 15.315,1087 19.958,1089 31.756,1090 15.034,1091 1.204,1092 3.874,1093 27.139,1094 2.799,1095 16.483,1096 21.494,1098 34.2,1099 16.185,1100 1,1101 2.742,1102 29.048,1103 2.178,1104 17.639,1105 23.007,1107 36.636,1108 17.325,1109 2191,1110 3900,1111 12.83,1112 18.762,1113 29.149,1114 28.714,1115 29.969,1116 28.812,1117 28.773,1118 40.876,1120 84.113,1121 27.509,1122 5.323,1123 5.272,1124 6.439,1125 5.283,1126 5.231,1127 7.627,1129 18.697,1130 5.168,1131 6.617,1132 1.534,1133 1.511,1134 1.577,1135 1.516,1136 1.514,1137 2.151,1139 4.427,1140 1.448,1141 4.138,1142 4.168,1143 4.106,1144 4.05,1145 6.47,1146 4.06,1147 3.783,1148 3.839,1149 3.74,1150 3.621,1151 5.236,1152 3.643,1153 3.388,1154 3.445,1155 3.297,1156 3.233,1157 4.905,1158 3.241,1159 3.054,1160 3.149,1161 2.951,1162 2.835,1163 4.58,1164 2.856,1165 2.976,1166 3.026,1167 2.84,1168 2.737,1169 4.236,1170 2.756,1171 2.631,1172 2.702,1173 2.545,1174 2.391,1175 3.906,1176 2.416,1177 2.415,1178 2.497,1179 2.244,1180 2.247,1181 3.522,1182 2.24,1183 2.231,1184 2.374,1185 1.985,1186 1.793,1187 3.362,1188 1.813,1189 0.246,1190 0.172,1191 0.362,1192 0.222,1193 0.17,1194 4.668,1195 0.244,1196 3.272,1198 6.886,1199 0.605,1200 4.212,1201 0.167,1202 3.231,1203 4.627,1205 11.497,1206 3.168,1207 1.939,1208 1.922,1209 2.009,1210 2.03,1211 1.152,1212 2.023,1213 1.76,1214 1.714,1215 1.854,1216 1.944,1217 0.866,1218 1.921,1219 1.396,1220 1.334,1221 1.546,1222 1.635,1223 0.529,1224 1.614,1225 1.025,1226 0.966,1227 1.261,1228 1.309,1229 0.281,1230 1.309,1231 0.929,1232 0.835,1233 1.169,1234 1.144,1235 0.022,1236 1.158,1237 0.763,1238 0.722,1239 1.021,1240 1.07,1242 1.045,1243 0.399,1244 0.318,1245 0.679,1246 0.68,1248 0.683,1249 0.15,1251 0.566,1252 0.559,1254 0.564,1255 3.664,1257 4.99,1258 2.398,1259 6.524,1260 4.727,1261 8.153,1262 6.862,1263 9.832,1269 5.552,1270 9.877,1280 18.381,1281 44.143,1282 98.117,1283 118.382,1284 126.382,1285 126.382,1286 126.382,1287 19.672,1288 6.455,1289 87.82,1290 87.82,1291 17,1292 12.2,1293 4.087,1294 3.17,1295 23.578,1296 40,1297 36,1298 0.302,1299 114.38,1300 180.69,1301 270.847,1302 4495,1304 11.828,1305 0.696,1306 0.523,1307 11.828,1308 8.883,1309 8.254,1310 0.434,1311 0.27,1312 5.061,1313 7.947,1314 4.981,1315 4.127,1316 8.254,1317 5.135,1318 7.519,1319 0.278,1320 0.137,1321 7.519,1322 3.702,1323 6.383,1324 0.173,1325 0.071,1326 6.383,1327 2.634,1328 5.679,1329 0.111,1330 0.037,1331 5.679,1332 1.891,1333 4.399,1334 0.072,1335 0.019,1336 4.399,1337 1.187,1338 0.443,1339 51.707,1340 0.279,1341 16.64,1342 0.921,1343 92,1344 269.085,1345 100.792,1346 268.055,1347 373.08,1348 250,1349 110,1350 285.129,1351 118.321,1352 290.147,1353 424.73,1354 274,1355 5} {0 CHEMBL505750,1 1.456,2 29.441,3 10.352,4 107.164,5 233.207,6 6.949,7 0.485,8 4.821,9 4.953,10 4.33,11 4.383,12 5.828,13 4.342,14 5.407,15 5.592,16 4.691,17 4.819,18 6.382,19 4.745,20 5.744,21 5.986,22 4.743,23 4.986,24 6.651,25 4.871,26 5.818,27 6.079,28 4.672,29 4.989,30 6.687,31 4.847,32 5.814,33 6.091,34 4.627,35 4.95,36 6.62,37 4.801,38 5.762,39 6.032,40 4.627,41 4.928,42 6.682,43 4.781,44 5.738,45 6.013,46 4.571,47 4.907,48 6.533,49 4.754,50 5.715,51 5.988,52 4.54,53 4.869,54 6.53,55 4.72,56 0.079,57 1.802,58 25.473,59 11.123,60 13.061,61 15.11,62 0.348,63 3.019,64 48.281,65 19.351,66 44.669,67 26.992,68 0.548,69 3.863,70 71.374,71 27.037,72 89.39,73 38.048,74 0.635,75 3.91,76 78.046,77 28.897,78 103.335,79 41.278,80 0.694,81 3.724,82 78.399,83 28.62,84 95.503,85 41.579,86 1.045,87 3.684,88 74.331,89 27.017,90 149.167,91 39.534,92 0.62,93 3.557,94 72.123,95 27.099,96 82.977,97 39.354,98 0.625,99 3.483,100 70.785,101 26.261,102 86.867,103 37.728,104 17,105 91,106 0.204,107 0.481,108 0.607,109 0.698,110 0.727,111 0.733,112 4.096,113 0.985,114 -6.75,115 -6.56,116 -6.08,119 42.6,121 11,122 2,125 6,140 14,141 6,142 4,149 2,150 2,156 2,169 26,172 8,174 2,176 12,178 27,182 8,186 14,189 20,193 12,197 10,199 19,203 8,207 2,208 2,211 26,215 6,218 2,220 4,222 31,226 6,229 2,231 2,233 24,237 8,240 2,242 6,244 24,254 6,256 26,259 10820,260 40.6,261 40.6,262 40.6,263 40.6,264 40.6,265 36.655,266 44.191,267 24.189,268 41.131,269 32.622,270 32.622,271 32.622,272 32.622,273 32.622,274 26.574,275 54.367,276 11.616,277 33.493,278 5.39,279 3.417,280 2.518,281 1.87,282 1.665,283 1.617,284 4.818,290 3876,291 5,294 359.997,295 1368.47,298 652.259,302 4.268,303 53.176,306 0.5,307 0.33,308 0.5,309 0.6,310 0.5,311 0.5,312 0.5,313 0.49,314 126,315 1737,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.296,336 6.057,337 3.838,338 2.84,339 3.763,340 0.8,341 8.719,342 2.83,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.8,350 8.719,351 2.83,352 3.824,353 2.886,354 5.778,355 3.593,356 2.628,357 3.215,359 7.905,360 2.546,361 3.824,362 2.886,363 5.778,364 3.593,365 2.628,366 3.215,368 7.905,369 2.546,370 3.676,371 2.849,372 5.324,373 3.349,374 2.4,375 2.975,377 6.892,378 2.269,379 3.676,380 2.849,381 5.324,382 3.348,383 2.4,384 2.975,386 6.892,387 2.267,388 3.521,389 2.578,390 5.247,391 3.216,392 2.261,393 2.802,395 6.594,396 2.142,397 3.52,398 2.578,399 5.247,400 3.213,401 2.26,402 2.802,404 6.594,405 2.138,406 3.378,407 2.254,408 4.997,409 3.054,410 2.091,411 2.488,413 5.926,414 2.004,415 3.377,416 2.254,417 4.997,418 3.051,419 2.089,420 2.486,422 5.926,423 1.999,424 2.921,425 1.961,426 4.583,427 2.862,428 1.868,429 2.014,431 4.455,432 1.854,433 2.891,434 1.961,435 4.583,436 2.595,437 1.602,438 2.005,440 4.453,441 1.589,442 2.837,443 1.882,444 4.067,445 2.515,446 1.528,447 1.868,449 3.765,450 1.507,451 28.138,452 0.477,453 1.245,454 0.021,455 69.5,456 1.178,457 32,458 0.542,459 37.5,460 0.636,461 68.702,462 1.164,463 64.262,464 0.559,465 58.423,466 0.99,467 12.755,468 0.216,469 16.102,470 0.273,471 0.044,473 0.313,477 2,479 0.654,480 1.15,481 0.839,482 1.068,483 0.502,484 0.992,485 0.681,486 1.104,487 0.952,488 1.096,489 0.475,490 1.064,491 0.858,492 1.012,493 0.978,494 1.035,495 0.715,496 1.023,497 0.817,498 0.95,499 0.998,500 1.047,501 0.739,502 1.046,503 0.665,504 0.807,505 0.882,506 0.93,507 0.632,508 0.937,509 0.497,510 0.78,511 0.905,512 0.945,513 0.384,514 0.974,515 0.553,516 0.857,517 0.885,518 0.972,519 0.472,520 0.973,521 0.699,522 0.847,523 0.917,524 0.954,525 0.637,526 0.964,527 10.5,528 0.297,529 6.444,530 2.889,531 2.766,532 1.688,533 0.988,534 0.988,535 0.704,536 0.373,537 116052,538 279516,539 2.159,540 48.7,541 12,542 26,543 2,545 4,547 12,550 1.877,551 2.07,552 4.766,553 1.144,559 167.389,560 1.456,561 3.428,562 4.328,563 4.976,564 5.18,565 5.228,566 4.196,567 4.628,568 5.858,569 4.999,570 8553.88,571 10.395,572 245131,577 787.231,578 1.208,579 5.835,580 0.159,581 0.005,582 0.071,583 0.031,584 0.033,585 0.021,586 0.013,587 0.013,588 0.01,589 0.005,590 0.361,592 0.5,593 0.363,594 393.342,595 -0.024,596 -0.052,597 0.05,598 0.019,599 0.003,600 0.041,601 0.022,602 -0.071,603 -0.029,604 -0.061,605 0.083,606 -0.054,607 -0.042,608 -0.043,609 -0.016,610 -0.032,611 0.04,612 -0.02,613 -0.037,614 -0.06,615 -0.033,616 -0.062,617 0.014,618 -0.048,619 0.018,620 -0.007,621 0.078,622 0.038,623 0.021,624 0.061,625 0.186,626 0.082,627 0.054,628 0.027,629 0.201,630 0.022,631 0.059,632 -0.008,633 0.065,634 0.012,635 0.052,636 0.036,637 0.009,639 0.045,640 0.024,641 0.025,642 0.036,643 2.022,644 5.718,645 0.712,646 126.259,647 0.994,648 1.129,649 5.518,650 30.446,651 0.658,652 4.205,653 4.522,654 4.796,655 5.05,656 5.293,657 5.394,658 5.533,659 5.704,660 5.802,661 5.914,662 16.62,663 0.618,664 799.11,665 4.205,666 5.753,667 6.603,668 7.473,669 8.338,670 9.215,671 10.089,672 10.971,673 11.851,674 12.737,675 5.2,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 115,716 34,717 4,718 66,720 122,721 49,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 11,745 30,746 19,747 2,750 2,755 2,759 2,762 2,764 56,765 8,766 4,767 10,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,815 2,819 6,825 2,827 59,833 17,834 2,837 2,838 2,846 2,847 1.7,850 2,854 28.5,855 20.019,856 12.889,857 7.671,858 5.855,859 1.545,860 1.016,861 13.66,862 16.588,863 4.443,864 5.021,865 5.601,866 6.179,867 6.694,868 6.998,869 7.367,870 7.764,871 7.935,872 8.277,873 1,874 92,875 22.022,877 9.557,878 7.661,879 43.178,881 37.06,883 2.161,884 127.5,888 612.097,889 246.618,890 75.841,892 50.29,893 29.92,895 246.618,896 662.387,897 105.761,899 76.536,900 150.762,901 59.699,902 81.463,903 57.751,904 588.555,906 612.097,907 322.459,908 80.21,911 500.764,912 191.543,915 116.355,916 206.104,919 642.018,920 126.131,921 246.618,924 612.097,925 95.855,926 157.011,927 69.593,928 80.21,929 612.097,930 156.051,931 246.618,933 0.579,934 0.334,935 0.176,936 0.098,937 42,938 18,939 0.131,940 16,941 2,942 1.095,943 6.984,944 630.16,945 0.095,946 42,947 273.076,951 41.1,952 19.609,953 10.573,954 4.489,955 122.48,956 27.508,958 6.865,961 4.313,963 69.593,964 1014.77,965 84,970 25.436,974 -0.482,975 114.264,976 129.883,977 0.213,978 0.501,979 0.632,980 0.727,981 0.757,982 0.764,983 5.687,984 2.4,985 6.569,986 6.892,987 5.209,988 5.71,989 2.001,990 7.353,991 5.161,992 6.868,993 2.261,994 8.108,995 6.892,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.161,1002 2.26,1003 9.745,1004 6.594,1005 6.779,1006 7.89,1007 1.937,1008 11.287,1009 6.691,1010 9.49,1011 2.091,1012 11.442,1013 6.594,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.855,1020 2.089,1021 13.179,1022 5.926,1023 8.622,1024 10.419,1025 1.969,1026 15.604,1027 8.508,1028 12.246,1029 1.868,1030 14.945,1031 5.926,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.235,1037 13.657,1038 1.602,1039 16.733,1040 4.455,1041 10.632,1042 13.158,1043 2.032,1044 20.139,1045 10.504,1046 3.174,1047 1.528,1048 18.538,1049 4.453,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.435,1055 3.174,1056 10.947,1057 20.357,1058 3.765,1059 12.746,1060 16.017,1061 2.112,1062 24.791,1063 12.607,1064 2.84,1065 10.947,1066 22.188,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.638,1073 2.84,1074 8.719,1075 24.028,1076 4.52,1077 14.924,1078 18.943,1079 2.201,1080 29.505,1081 14.774,1082 2.628,1083 8.719,1084 25.877,1085 3.763,1086 16.009,1087 20.398,1088 0.104,1089 31.866,1090 15.853,1091 2.628,1092 7.905,1093 27.732,1094 3.763,1095 17.142,1096 21.907,1097 2.296,1098 34.252,1099 16.978,1100 2.4,1101 7.905,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.068,1107 36.628,1108 18.082,1109 105014,1110 163652,1111 45.421,1112 75.615,1113 98.543,1114 100.646,1115 100.026,1116 98.152,1117 97.965,1118 124.172,1119 7.433,1120 276.486,1121 95.524,1122 5.587,1123 5.574,1124 6.629,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 24.519,1132 1.493,1133 1.525,1134 1.516,1135 1.487,1136 1.484,1137 1.881,1138 0.113,1139 4.189,1140 1.447,1141 4.179,1142 4.216,1143 4.132,1144 4.092,1145 8.203,1146 4.098,1147 4.125,1148 4.159,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.928,1154 3.954,1155 3.882,1156 3.85,1157 7.431,1158 3.852,1159 3.914,1160 3.939,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.867,1166 3.93,1167 3.74,1168 3.728,1169 4.983,1170 3.721,1171 3.823,1172 3.888,1173 3.704,1174 3.679,1175 4.949,1176 3.676,1177 3.729,1178 3.793,1179 3.577,1180 3.611,1181 4.61,1182 3.596,1183 3.577,1184 3.642,1185 3.457,1186 3.451,1187 4.595,1188 3.436,1189 0.07,1190 0.054,1191 0.102,1192 0.063,1193 0.048,1194 4.587,1195 0.068,1196 3.574,1197 0.016,1198 6.719,1199 0.166,1200 4.163,1201 0.048,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.1,1210 2.073,1211 1.469,1212 2.083,1213 1.971,1214 1.946,1215 2.09,1216 2.071,1217 1.457,1218 2.078,1219 1.89,1220 1.864,1221 2.042,1222 2.025,1223 1.396,1224 2.029,1225 1.888,1226 1.864,1227 2.009,1228 2.018,1229 1.246,1230 2.019,1231 1.846,1232 1.792,1233 1.997,1234 1.963,1235 1.148,1236 1.974,1237 1.829,1238 1.777,1239 1.964,1240 1.959,1241 1.135,1242 1.961,1243 1.769,1244 1.712,1245 1.955,1246 1.924,1247 1.056,1248 1.946,1249 1.622,1250 1.558,1251 1.875,1252 1.793,1253 1.054,1254 1.823,1255 4.89,1257 6.209,1258 3.045,1259 7.711,1260 5.416,1261 9.298,1262 7.535,1263 10.931,1267 26.61,1271 20.536,1272 5.952,1275 1.002,1276 5.27,1280 71.021,1281 167.389,1282 394.248,1283 497.682,1284 572.238,1285 595.722,1286 601.231,1287 125.882,1288 10.733,1289 96.26,1290 96.26,1291 46,1292 13.271,1293 5.129,1294 4.248,1295 87.436,1296 616,1297 518,1298 0.066,1299 425.964,1300 745.46,1301 1031.11,1302 1403750,1303 1.7,1304 40.555,1305 0.687,1306 0.574,1307 38.815,1308 33.88,1309 28.857,1310 0.437,1311 0.328,1312 21.456,1313 28.013,1314 21.091,1315 17.393,1316 28.069,1317 21.667,1318 25.768,1319 0.283,1320 0.183,1321 24.524,1322 16.637,1323 22.014,1324 0.183,1325 0.105,1326 21.193,1327 12.66,1328 18.03,1329 0.116,1330 0.059,1331 17.727,1332 9.214,1333 14.819,1334 0.075,1335 0.034,1336 14.397,1337 6.763,1338 0.114,1339 178.975,1340 0.148,1341 51.522,1342 0.157,1343 314,1344 854.315,1345 337.803,1346 787.525,1347 1072.94,1348 738,1349 368,1350 784.615,1351 390.796,1352 787.788,1353 1153.4,1354 746,1355 9} {0 CHEMBL505954,1 1.517,2 24.453,3 7.491,4 56.115,5 205.558,6 7.37,7 0.533,8 4.671,9 4.797,10 4.233,11 4.241,12 5.731,13 4.215,14 5.242,15 5.414,16 4.615,17 4.681,18 6.284,19 4.628,20 5.569,21 5.792,22 4.669,23 4.85,24 6.551,25 4.757,26 5.658,27 5.904,28 4.593,29 4.854,30 6.591,31 4.732,32 5.652,33 5.916,34 4.546,35 4.807,36 6.516,37 4.676,38 5.598,39 5.86,40 4.555,41 4.773,42 6.59,43 4.651,44 5.546,45 5.801,46 4.505,47 4.761,48 6.417,49 4.637,50 5.553,51 5.807,52 4.467,53 4.748,54 6.432,55 4.617,56 0.039,57 1.565,58 19.916,59 9.015,60 11.034,61 11.788,62 0.275,63 2.627,64 38.227,65 15.666,66 37.678,67 21.092,68 0.449,69 3.377,70 57.876,71 22.284,72 80.899,73 30.251,74 0.573,75 3.436,76 65.45,77 24.464,78 99.001,79 33.928,80 0.586,81 3.25,82 66.46,83 24.385,84 93.718,85 34.736,86 1.005,87 3.233,88 62.947,89 22.032,90 144.409,91 31.905,92 0.548,93 3.074,94 58.499,95 21.805,96 76.002,97 30.998,98 0.518,99 3.073,100 59.225,101 22.436,102 83.122,103 31.378,104 17,105 85,106 0.219,107 0.52,108 0.638,109 0.704,110 0.72,111 0.72,112 3.991,113 0.933,114 -5.79,115 -5.65,116 -5.26,119 44.3,121 5,122 2,125 6,140 14,141 6,142 4,149 2,150 2,156 2,169 20,172 8,174 2,176 12,178 22,182 6,186 14,189 16,192 1,193 10,197 10,199 16,203 6,207 2,208 2,211 20,215 8,218 2,220 4,222 24,226 6,229 2,231 2,233 16,237 8,240 2,242 6,244 18,249 2,254 4,256 18,259 7636,260 36.358,261 36.358,262 36.358,263 36.358,264 36.358,265 32.413,266 44.191,267 21.189,268 36.888,269 29.622,270 29.622,271 29.622,272 29.622,273 29.622,274 23.574,275 56.867,276 10.119,277 30.493,278 5.083,279 2.994,280 2.176,281 1.722,282 1.608,283 1.608,284 4.715,290 2910,291 4.359,294 298.956,295 1143.24,298 542.497,302 3.631,303 52.822,306 0.5,307 0.33,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.65,314 114,315 1296,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.139,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.297,336 6.057,337 3.838,338 2.84,339 3.763,340 0.8,341 8.719,342 2.83,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.8,350 8.719,351 2.83,352 3.826,353 2.888,354 5.779,355 3.606,356 2.645,357 3.215,359 7.909,360 2.553,361 3.822,362 2.885,363 5.777,364 3.581,365 2.612,366 3.215,368 7.901,369 2.539,370 3.682,371 2.874,372 5.348,373 3.367,374 2.415,375 2.975,377 6.951,378 2.287,379 3.671,380 2.821,381 5.301,382 3.329,383 2.382,384 2.975,386 6.835,387 2.248,388 3.533,389 2.588,390 5.251,391 3.229,392 2.273,393 2.803,395 6.607,396 2.155,397 3.509,398 2.562,399 5.241,400 3.184,401 2.235,402 2.8,404 6.573,405 2.104,406 3.401,407 2.257,408 4.997,409 3.056,410 2.093,411 2.524,413 5.926,414 2.004,415 3.34,416 2.249,417 4.997,418 3.038,419 2.079,420 2.441,422 5.926,423 1.981,424 2.898,425 1.961,426 4.587,427 2.551,428 1.562,429 2.016,431 4.467,432 1.543,433 2.869,434 1.961,435 4.579,436 2.501,437 1.515,438 1.983,440 4.432,441 1.492,442 2.782,443 1.578,444 4.068,445 2.293,446 1.305,447 1.81,449 3.427,450 1.275,451 25.138,452 0.474,453 1.245,454 0.023,455 66.5,456 1.255,457 32,458 0.604,459 34.5,460 0.651,461 55.95,462 1.056,463 56.462,464 0.582,465 57.43,466 1.084,467 12.755,468 0.241,469 13.102,470 0.247,471 0.049,473 0.35,477 2,479 0.651,480 1.109,481 0.776,482 1.01,483 0.502,484 0.927,485 0.689,486 1.06,487 0.904,488 1.037,489 0.482,490 1.005,491 0.889,492 1.021,493 1.011,494 1.056,495 0.742,496 1.049,497 0.824,498 0.926,499 1.03,500 1.062,501 0.754,502 1.075,503 0.653,504 0.82,505 0.885,506 0.959,507 0.642,508 0.963,509 0.545,510 0.737,511 0.904,512 0.892,513 0.394,514 0.938,515 0.614,516 0.846,517 0.93,518 0.974,519 0.501,520 0.994,521 0.698,522 0.87,523 0.968,524 1.017,525 0.65,526 1.036,527 10.5,528 0.315,529 6.444,530 2.889,531 2.686,532 1.744,533 1.028,534 0.925,535 0.695,536 0.404,537 78106,538 201634,539 2.178,540 45.4,541 2,542 26,543 2,545 4,547 8,548 2,550 1.857,551 2.078,552 4.515,553 1.216,559 147.137,560 1.517,561 3.605,562 4.424,563 4.878,564 4.992,565 4.992,566 3.964,567 4.445,568 5.699,569 4.722,570 6506.82,571 10.102,572 158505,577 640.192,578 1.263,579 5.677,580 0.175,581 0.005,582 0.076,583 0.034,584 0.035,585 0.024,586 0.014,587 0.013,588 0.01,589 0.006,590 0.391,592 0.63,593 0.389,594 337.29,595 -0.037,596 -0.056,597 0.048,598 0.022,599 -0.01,600 0.045,601 0.007,602 -0.05,603 -0.024,604 -0.036,605 0.072,606 -0.034,607 -0.07,608 -0.052,609 -0.065,610 -0.061,611 0.02,612 -0.059,613 -0.046,614 -0.05,615 -0.066,616 -0.08,617 -0.001,618 -0.075,619 0.02,620 -0.046,621 0.084,622 0.014,623 0.014,624 0.049,625 0.17,626 0.115,627 0.068,628 0.064,629 0.196,630 0.053,631 0.027,632 0.008,633 0.022,634 0.005,635 0.034,636 0.014,637 -0.004,638 -0.035,639 -0.008,640 -0.032,641 0.011,642 -0.024,643 2.03,644 5.726,645 0.792,646 101.069,647 1,648 1.128,649 4.557,650 20.77,651 0.671,652 4.111,653 4.454,654 4.745,655 5.011,656 5.263,657 5.371,658 5.517,659 5.694,660 5.808,661 5.943,662 13.633,663 0.638,664 714.93,665 4.111,666 5.673,667 6.535,668 7.416,669 8.291,670 9.176,671 10.057,672 10.945,673 11.83,674 12.721,675 6.2,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 97,716 34,717 4,718 60,720 104,721 43,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 5,745 30,746 13,747 2,750 2,755 2,759 2,762 2,764 44,765 8,766 4,767 10,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,815 2,819 6,825 2,827 53,833 11,834 2,837 2,838 2,846 2,847 2.1,850 2,854 25.5,855 17.019,856 11.389,857 6.171,858 5.905,859 1.553,860 1.038,861 10.519,862 16.585,863 4.369,864 4.98,865 5.579,866 6.167,867 6.687,868 6.994,869 7.364,870 7.763,871 7.936,872 8.28,873 1,874 86,875 19.756,877 8.705,878 7.736,879 38.279,881 33.06,883 2.236,884 118.5,888 470.844,889 231.411,890 75.841,892 50.29,893 29.92,895 231.411,896 521.134,897 105.761,899 61.328,900 150.762,901 59.699,902 81.463,903 57.751,904 447.302,906 470.844,907 307.252,908 80.21,911 383.053,912 168.001,915 101.148,916 206.104,919 500.764,920 126.131,921 231.411,924 470.844,925 80.648,926 157.011,927 69.593,928 80.21,929 470.844,930 156.051,931 231.411,933 0.588,934 0.343,935 0.181,936 0.101,937 42,938 18,939 0.096,940 10,941 2,942 1.095,943 6.334,944 575.164,945 0.095,946 42,947 235.58,951 35.384,952 15.756,953 8.144,954 4.413,955 122.48,956 27.328,958 6.845,961 4.197,963 69.593,964 858.306,965 78,970 25.452,974 -0.507,975 96.963,976 109.392,977 0.23,978 0.546,979 0.67,980 0.739,981 0.756,982 0.756,983 5.624,984 2.382,985 6.518,986 6.951,987 5.142,988 5.67,989 2.001,990 7.322,991 5.09,992 6.823,993 2.273,994 8.071,995 6.835,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.128,1002 2.235,1003 9.72,1004 6.607,1005 6.737,1006 7.876,1007 1.937,1008 11.28,1009 6.645,1010 9.467,1011 2.093,1012 11.425,1013 6.573,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.839,1020 2.079,1021 13.169,1022 5.926,1023 8.6,1024 10.416,1025 1.969,1026 15.603,1027 8.484,1028 12.235,1029 1.562,1030 14.939,1031 5.926,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.235,1037 13.65,1038 1.515,1039 16.729,1040 4.467,1041 10.622,1042 13.157,1043 2.032,1044 20.139,1045 10.492,1046 3.174,1047 1.305,1048 18.536,1049 4.432,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.435,1055 3.174,1056 10.947,1057 20.356,1058 3.427,1059 12.741,1060 16.016,1061 2.112,1062 24.791,1063 12.602,1064 2.84,1065 10.947,1066 22.187,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.638,1073 2.84,1074 8.719,1075 24.027,1076 4.52,1077 14.922,1078 18.943,1079 2.201,1080 29.505,1081 14.771,1082 2.645,1083 8.719,1084 25.876,1085 3.763,1086 16.009,1087 20.398,1088 0.104,1089 31.866,1090 15.853,1091 2.612,1092 7.909,1093 27.732,1094 3.763,1095 17.142,1096 21.907,1097 2.296,1098 34.252,1099 16.977,1100 2.415,1101 7.901,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.068,1107 36.628,1108 18.082,1109 70380,1110 113466,1111 41.263,1112 65.046,1113 91.046,1114 92.917,1115 92.355,1116 90.47,1117 90.31,1118 116.518,1119 7.433,1120 261.163,1121 87.871,1122 5.587,1123 5.574,1124 6.27,1125 5.203,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.139,1131 22.525,1132 1.517,1133 1.549,1134 1.539,1135 1.508,1136 1.505,1137 1.942,1138 0.124,1139 4.353,1140 1.465,1141 4.177,1142 4.213,1143 4.13,1144 4.09,1145 8.203,1146 4.096,1147 4.125,1148 4.158,1149 4.084,1150 4.043,1151 8.2,1152 4.05,1153 3.926,1154 3.951,1155 3.881,1156 3.849,1157 7.431,1158 3.851,1159 3.913,1160 3.938,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.862,1166 3.929,1167 3.745,1168 3.71,1169 4.982,1170 3.709,1171 3.787,1172 3.85,1173 3.669,1174 3.651,1175 4.949,1176 3.646,1177 3.551,1178 3.609,1179 3.46,1180 3.416,1181 4.61,1182 3.411,1183 3.488,1184 3.544,1185 3.426,1186 3.3,1187 4.595,1188 3.32,1189 0.076,1190 0.06,1191 0.112,1192 0.069,1193 0.053,1194 4.587,1195 0.075,1196 3.574,1197 0.018,1198 6.719,1199 0.182,1200 4.163,1201 0.052,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.139,1207 1.972,1208 1.947,1209 2.099,1210 2.08,1211 1.468,1212 2.089,1213 1.969,1214 1.945,1215 2.078,1216 2.064,1217 1.443,1218 2.068,1219 1.891,1220 1.865,1221 2.013,1222 2.028,1223 1.21,1224 2.026,1225 1.886,1226 1.863,1227 2.001,1228 2.001,1229 1.143,1230 2.005,1231 1.841,1232 1.79,1233 1.966,1234 1.96,1235 1.113,1236 1.963,1237 1.81,1238 1.758,1239 1.956,1240 1.954,1241 1.055,1242 1.956,1243 1.593,1244 1.53,1245 1.824,1246 1.773,1247 1.053,1248 1.791,1249 1.44,1250 1.374,1251 1.612,1252 1.668,1253 0.825,1254 1.656,1255 4.796,1257 6.133,1258 3.045,1259 7.656,1260 5.416,1261 9.258,1262 7.535,1263 10.903,1267 26.61,1271 12.091,1272 5.934,1275 0.933,1276 5.204,1280 61.861,1281 147.137,1282 349.73,1283 429.14,1284 473.172,1285 484.192,1286 484.192,1287 106.134,1288 10.68,1289 96.26,1290 96.26,1291 46,1292 13.25,1293 5.129,1294 4.248,1295 74.048,1296 448,1297 413,1298 0.078,1299 368.41,1300 641.66,1301 890.681,1302 1127380,1303 2.1,1304 36.313,1305 0.685,1306 0.559,1307 34.572,1308 29.637,1309 25.857,1310 0.431,1311 0.311,1312 18.456,1313 25.013,1314 18.15,1315 14.893,1316 25.069,1317 18.667,1318 23.647,1319 0.278,1320 0.171,1321 22.403,1322 14.516,1323 20.514,1324 0.18,1325 0.098,1326 19.693,1327 11.16,1328 16.975,1329 0.114,1330 0.055,1331 16.672,1332 8.178,1333 14.04,1334 0.073,1335 0.031,1336 13.618,1337 5.988,1338 0.131,1339 160.975,1340 0.156,1341 46.643,1342 0.193,1343 290,1344 830.315,1345 313.803,1346 762.555,1347 1038.38,1348 714,1349 344,1350 760.615,1351 366.796,1352 762.819,1353 1118.84,1354 722,1355 7.102} {0 CHEMBL506942,1 1.434,2 14.906,3 3.288,4 10.813,5 127.695,6 6.76,7 0.486,8 4.232,9 4.363,10 3.726,11 3.748,12 5.234,13 3.711,14 4.802,15 5.009,16 4.061,17 4.126,18 5.74,19 4.073,20 5.041,21 5.255,22 4.12,23 4.31,24 5.97,25 4.221,26 5.15,27 5.392,28 4.018,29 4.339,30 6.002,31 4.196,32 5.183,33 5.463,34 3.914,35 4.275,36 5.957,37 4.117,38 5.039,39 5.302,40 3.824,41 4.169,42 5.825,43 4.013,44 4.986,45 5.262,46 3.752,47 4.09,48 5.751,49 3.94,50 4.902,51 5.164,52 3.736,53 4.079,54 5.651,55 3.93,56 0.041,57 0.933,58 14.622,59 5.891,60 8.46,61 8.33,62 0.304,63 1.513,64 27.665,65 9.016,66 25.679,67 13.448,68 0.447,69 1.826,70 35.49,71 12.035,72 41.211,73 17.424,74 0.337,75 1.898,76 39.479,77 14.921,78 45.454,79 21.373,80 0.431,81 1.867,82 41.86,83 14.79,84 47.336,85 21.56,86 0.342,87 1.678,88 35.727,89 12.757,90 37.58,91 18.788,92 0.432,93 1.598,94 34.353,95 11.39,96 39.579,97 17.119,98 0.269,99 1.507,100 30.888,101 11.195,102 23.018,103 16.512,104 19,105 48,106 0.229,107 0.518,108 0.719,109 0.833,110 0.858,111 0.858,112 3.501,113 0.966,114 -3.58,115 -3.56,116 -3.39,119 40.6,120 2,124 1,125 7,140 9,141 2,142 2,144 2,156 1,169 8,171 1,172 11,178 9,181 2,182 8,189 6,192 1,193 7,199 7,202 1,203 6,211 4,214 1,215 6,222 2,225 2,226 4,236 1,237 4,249 5,259 1796,260 21.585,261 21.585,262 21.585,263 21.585,264 21.585,265 19.391,266 27.75,267 12.781,268 22.081,269 17.272,270 17.272,271 17.272,272 17.272,273 17.272,274 13.976,275 38.227,276 6.073,277 18.053,278 4.566,279 2.761,280 1.5,281 0.785,282 0.629,283 0.629,284 4.199,288 1,289 1,290 1029,291 3.742,295 419.675,299 163.201,302 2.367,303 20.472,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 68,315 477,316 4.516,317 3.689,318 6.517,319 4.026,320 3.054,321 4.458,322 1.94,323 10.248,324 2.968,325 4.22,326 3.186,327 6.301,328 3.906,329 2.945,330 3.753,331 0.916,332 9.305,333 2.829,334 3.806,335 3.07,336 5.616,337 3.625,338 2.692,339 3.17,340 0.86,341 7.742,342 2.521,343 3.718,344 2.824,345 5.353,346 3.394,347 2.435,348 3.039,349 0.8,350 6.952,351 2.326,352 3.593,353 2.633,354 5.315,355 3.285,356 2.335,357 2.65,358 0.555,359 6.709,360 2.216,361 3.305,362 2.567,363 5.032,364 3.042,365 2.098,366 2.619,367 0.172,368 5.966,369 1.973,370 3.258,371 2.219,372 4.813,373 2.848,374 1.889,375 2.399,377 5.292,378 1.805,379 3.033,380 2.135,381 4.677,382 2.717,383 1.719,384 2.218,386 4.718,387 1.701,388 2.987,389 1.602,390 4.196,391 2.512,392 1.524,393 2.082,395 3.817,396 1.504,397 2.667,398 1.469,399 3.534,400 2.211,401 1.238,402 1.734,404 2.724,405 1.206,406 2.49,407 1.393,408 3.507,409 2.147,410 1.191,411 1.487,413 2.629,414 1.123,415 2.137,416 1.146,417 3.414,418 1.967,419 1,420 1.08,422 2.275,423 0.965,424 2,425 1.032,426 3.313,427 1.834,428 0.865,429 1,431 1.999,432 0.835,433 1.925,434 0.966,435 3.156,436 1.597,437 0.613,438 0.74,440 1.397,441 0.598,442 1.384,443 0.509,444 2.925,445 1.191,446 0.25,447 0.273,449 0.616,450 0.233,451 15.267,452 0.477,453 0.767,454 0.024,455 39.5,456 1.234,457 18.5,458 0.578,459 21,460 0.656,461 28.871,462 0.902,463 35.133,464 0.549,465 29.487,466 0.921,467 7.997,468 0.25,469 7.494,470 0.234,471 0.12,473 0.308,479 0.796,480 1.534,481 0.865,482 1.239,483 0.619,484 1.085,485 1.216,486 1.07,487 0.946,488 0.878,489 0.63,490 0.863,491 1.377,492 0.981,493 1.163,494 0.992,495 1.12,496 1.035,497 0.923,498 1.149,499 1.064,500 1.193,501 0.918,502 1.16,503 1.048,504 0.881,505 0.955,506 0.922,507 0.864,508 0.932,509 0.899,510 1.119,511 1.03,512 1.103,513 0.777,514 1.089,515 1.036,516 0.931,517 1.036,518 0.919,519 0.953,520 0.966,521 0.796,522 1.026,523 1.023,524 1.06,525 0.632,526 1.063,527 6.5,528 0.186,529 3.333,530 1.875,531 1.471,532 0.771,533 0.665,534 0.389,535 0.246,536 0.206,537 16853,538 38746,539 2.082,540 50,542 26,546 6,550 1.736,551 1.959,552 3.824,553 -0.805,555 1,559 91.789,560 1.434,561 3.239,562 4.5,563 5.215,564 5.371,565 5.371,566 3.243,567 4.726,568 4.975,569 4.042,570 2004.71,571 8.651,572 31853.7,574 1,577 384,578 1.366,579 4.936,580 0.186,581 0.008,582 0.069,583 0.038,584 0.035,585 0.02,586 0.02,587 0.012,588 0.008,589 0.008,590 0.404,591 0.5,592 1,593 0.844,594 173.472,595 0.03,596 -0.305,597 0.078,598 -0.127,599 -0.015,600 -0.038,601 -0.058,602 0.083,603 0.058,604 0.104,605 0.071,606 0.101,607 -0.138,608 0.119,609 -0.158,610 -0.006,611 -0.072,612 -0.069,613 0.009,614 -0.171,615 -0.096,616 -0.172,617 0.008,618 -0.152,619 -0.038,620 0.042,621 0.034,622 0.051,623 -0.03,624 0.05,625 0.012,626 -0.155,627 -0.054,628 -0.116,629 -0.027,630 -0.099,631 -0.034,632 0.049,633 -0.042,634 0.029,635 -0.075,636 -0.004,637 -0.019,638 -0.028,639 -0.059,640 -0.068,641 -0.025,642 -0.068,643 1.618,644 4.633,645 0.688,646 37.133,647 0.991,648 1.129,649 2.353,650 5.538,651 0.65,652 3.584,653 3.892,654 4.127,655 4.344,656 4.564,657 4.564,658 4.635,659 4.718,660 4.754,661 4.804,662 8.801,663 0.608,664 432.62,665 3.584,666 5.118,667 5.953,668 6.815,669 7.663,670 8.527,671 9.38,672 10.244,673 11.099,674 11.964,675 6.3,678 2,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 64,716 18,717 2,718 35,720 67,721 26,722 15,723 5,724 7,730 4,731 5,736 2,745 16,746 10,750 1,755 1,759 1,764 32,765 6,767 6,773 4,777 0.75,778 2,786 1,793 4,797 1,806 1,815 2,819 3,823 3,827 32,833 7,835 1,838 3,847 3.1,850 1,852 1,854 16.333,855 12.383,856 7.028,857 3.889,858 3.35,859 1.421,860 0.975,861 7.284,862 11.308,863 3.818,864 4.382,865 4.914,866 5.47,867 6.013,868 6.199,869 6.469,870 6.758,871 6.955,872 6.71,873 0.9,874 49,875 11.847,877 4.888,878 7.552,879 23.234,881 18.907,883 2.052,884 65.667,888 376.675,889 151.924,890 26.158,892 36.145,895 151.924,896 412.82,897 26.158,898 26.047,899 20.351,900 85.286,901 46.635,902 35.908,904 376.675,906 376.675,907 178.082,908 36.145,911 376.675,912 36.145,915 49.151,916 112.146,917 16.786,919 376.675,920 62.303,921 151.924,924 376.675,925 40.591,926 120.706,928 52.93,929 376.675,930 62.303,931 151.924,933 0.581,934 0.334,935 0.173,936 0.095,937 22,938 10,939 0.104,940 7,941 1,942 1.091,943 4.471,944 276.276,945 0.091,946 22,947 151.245,951 22.566,952 10.329,953 5.801,954 2.051,955 62.303,956 18.443,957 4.585,961 4.117,964 590.902,965 44.5,970 11.633,974 0.049,975 63.432,976 72.225,977 0.239,978 0.54,979 0.75,980 0.869,981 0.895,982 0.895,983 5.051,984 1.719,985 5.927,986 5.292,987 4.575,988 5.069,989 2.454,990 6.696,991 4.491,992 6.233,993 1.524,994 7.462,995 4.718,996 4.111,997 4.832,998 1.803,999 7.506,1000 3.982,1001 7.522,1002 1.238,1003 9.094,1004 3.817,1005 6.133,1006 7.221,1007 3.089,1008 10.573,1009 5.965,1010 8.842,1011 1.191,1012 10.783,1013 2.724,1014 6.463,1015 7.817,1016 3.164,1017 12.207,1018 6.249,1019 10.195,1020 1,1021 12.508,1022 2.629,1023 7.953,1024 9.708,1025 4.16,1026 14.786,1027 7.706,1028 11.57,1029 0.865,1030 14.26,1031 2.275,1032 8.663,1033 10.73,1034 4.546,1035 16.783,1036 8.375,1037 12.965,1038 0.613,1039 16.031,1040 1.999,1041 9.925,1042 12.401,1043 5.388,1044 19.187,1045 9.608,1046 3.054,1047 0.25,1048 17.817,1049 1.397,1050 10.826,1051 13.651,1052 5.913,1053 21.351,1054 10.473,1055 2.945,1056 10.248,1057 19.616,1058 0.616,1059 11.988,1060 15.218,1061 6.671,1062 23.69,1063 11.606,1064 2.692,1065 9.305,1066 21.424,1067 4.458,1068 12.985,1069 16.587,1070 7.263,1071 25.931,1072 12.57,1073 2.435,1074 7.742,1075 23.241,1076 3.753,1077 14.103,1078 18.107,1079 7.976,1080 28.248,1081 13.661,1082 2.335,1083 6.952,1084 25.066,1085 3.17,1086 15.149,1087 19.536,1088 8.603,1089 30.525,1090 14.675,1091 2.098,1092 6.709,1093 26.896,1094 3.039,1095 16.251,1096 21.037,1097 9.292,1098 32.836,1099 15.75,1100 1.889,1101 5.966,1102 28.731,1103 2.65,1104 17.322,1105 22.496,1106 9.936,1107 35.13,1108 16.791,1109 15962,1110 24314,1111 23.463,1112 41.591,1113 51.933,1114 52.54,1115 53.052,1116 51.717,1117 51.693,1118 65.403,1119 10.489,1120 144.777,1121 49.603,1122 5.516,1123 5.689,1124 6.097,1125 5.101,1126 5.054,1127 7.458,1128 3.348,1129 17.078,1130 4.968,1131 15.938,1132 1.484,1133 1.501,1134 1.516,1135 1.478,1136 1.477,1137 1.869,1138 0.3,1139 4.136,1140 1.417,1141 4.078,1142 4.104,1143 4.038,1144 4,1145 7.428,1146 4.006,1147 3.97,1148 4.012,1149 3.904,1150 3.88,1151 5.016,1152 3.88,1153 3.811,1154 3.877,1155 3.703,1156 3.619,1157 4.74,1158 3.629,1159 3.578,1160 3.63,1161 3.481,1162 3.428,1163 4.58,1164 3.424,1165 3.538,1166 3.585,1167 3.44,1168 3.356,1169 4.352,1170 3.376,1171 3.412,1172 3.48,1173 3.267,1174 3.217,1175 4.226,1176 3.219,1177 3.158,1178 3.244,1179 3.011,1180 2.979,1181 4.066,1182 2.973,1183 3.111,1184 3.206,1185 2.909,1186 2.941,1187 3.893,1188 2.917,1189 0.129,1190 0.105,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.689,1197 0.055,1198 6.517,1199 0.293,1200 4.026,1201 0.085,1202 3.054,1203 4.458,1204 1.94,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.107,1210 2.125,1211 1.342,1212 2.12,1213 1.935,1214 1.902,1215 2.06,1216 2.066,1217 1.221,1218 2.067,1219 1.766,1220 1.696,1221 1.962,1222 1.971,1223 1.154,1224 1.972,1225 1.536,1226 1.491,1227 1.753,1228 1.751,1229 0.964,1230 1.751,1231 1.503,1232 1.447,1233 1.738,1234 1.694,1235 0.825,1236 1.708,1237 1.391,1238 1.324,1239 1.667,1240 1.607,1241 0.807,1242 1.632,1243 1.159,1244 1.077,1245 1.547,1246 1.425,1247 0.796,1248 1.471,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.634,1254 1.429,1255 4.263,1257 5.572,1259 7.074,1261 8.663,1263 10.296,1265 5.416,1271 6.634,1273 6.112,1276 6.627,1280 38.89,1281 91.789,1282 207.29,1283 287.987,1284 333.735,1285 343.735,1286 343.735,1287 49.455,1288 7.959,1289 48.91,1290 48.91,1291 24,1292 12.513,1293 4.248,1294 3.392,1295 52.406,1296 174,1297 142,1298 0.145,1299 239.421,1300 414.04,1301 575.947,1302 38701,1304 22.501,1305 0.703,1306 0.602,1307 22.501,1308 19.251,1309 15.491,1310 0.443,1311 0.322,1312 11.11,1313 14.9,1314 10.724,1315 8.903,1316 15.491,1317 11.266,1318 13.982,1319 0.291,1320 0.177,1321 13.982,1322 8.49,1323 11.498,1324 0.188,1325 0.101,1326 11.498,1327 6.137,1328 9.154,1329 0.12,1330 0.054,1331 9.154,1332 4.114,1333 7.511,1334 0.079,1335 0.031,1336 7.511,1337 2.934,1338 0.239,1339 96.688,1340 0.206,1341 30.818,1342 0.368,1343 166,1344 434.052,1345 180.389,1346 419.234,1347 578.3,1348 396,1349 192,1350 425.302,1351 207.085,1352 432.491,1353 627.6,1354 406,1355 9.5} {0 CHEMBL509314,1 1.438,2 31.082,3 11.264,4 126.887,5 242.409,6 6.836,7 0.471,8 4.867,9 5,10 4.36,11 4.426,12 5.859,13 4.381,14 5.457,15 5.645,16 4.716,17 4.861,18 6.413,19 4.782,20 5.795,21 6.043,22 4.766,23 5.028,24 6.682,25 4.906,26 5.867,27 6.131,28 4.697,29 5.03,30 6.717,31 4.883,32 5.862,33 6.142,34 4.653,35 4.993,36 6.652,37 4.838,38 5.813,39 6.087,40 4.654,41 4.972,42 6.712,43 4.819,44 5.791,45 6.069,46 4.599,47 4.951,48 6.568,49 4.794,50 5.768,51 6.045,52 4.569,53 4.915,54 6.565,55 4.761,56 0.091,57 1.88,58 27.274,59 11.823,60 13.656,61 16.196,62 0.371,63 3.149,64 51.478,65 20.558,66 46.392,67 28.889,68 0.577,69 4.024,70 75.555,71 28.575,72 91.347,73 40.509,74 0.66,75 4.067,76 81.99,77 30.37,78 104.175,79 43.633,80 0.715,81 3.881,82 82.115,83 30.06,84 95.686,85 43.838,86 1.071,87 3.84,88 78.202,89 28.498,90 150.61,91 41.848,92 0.644,93 3.715,94 75.92,95 28.573,96 83.63,97 41.64,98 0.647,99 3.641,100 74.585,101 27.74,102 87.022,103 40.027,104 17,105 93,106 0.2,107 0.468,108 0.593,109 0.684,110 0.716,111 0.731,112 4.128,113 1,114 -7.06,115 -6.86,116 -6.34,119 42.1,121 13,122 2,125 6,140 14,141 6,142 4,149 2,150 2,156 2,169 28,172 8,174 2,176 12,178 29,182 8,186 14,189 22,193 12,197 10,199 21,203 8,207 2,208 2,211 28,215 6,218 2,220 4,222 33,226 6,229 2,231 2,233 26,237 8,240 2,242 6,244 25,249 2,254 6,256 26,259 12112,260 42.015,261 42.015,262 42.015,263 42.015,264 42.015,265 38.069,266 44.191,267 25.189,268 42.545,269 33.622,270 33.622,271 33.622,272 33.622,273 33.622,274 27.574,275 54.367,276 12.116,277 34.493,278 5.481,279 3.552,280 2.659,281 1.999,282 1.768,283 1.665,284 4.849,290 4222,291 5.196,294 379.902,295 1441.58,298 688.133,302 4.504,303 53.268,306 0.5,307 0.33,308 0.5,309 0.8,310 0.5,311 0.5,312 0.5,313 0.52,314 130,315 1896,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.138,325 4.587,326 3.574,327 6.719,328 4.163,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.296,336 6.057,337 3.838,338 2.84,339 3.763,340 0.8,341 8.719,342 2.83,343 4.193,344 3.296,345 6.057,346 3.838,347 2.84,348 3.763,349 0.8,350 8.719,351 2.83,352 3.824,353 2.886,354 5.778,355 3.593,356 2.628,357 3.215,359 7.905,360 2.546,361 3.824,362 2.886,363 5.778,364 3.593,365 2.628,366 3.215,368 7.905,369 2.546,370 3.676,371 2.849,372 5.324,373 3.349,374 2.4,375 2.975,377 6.892,378 2.269,379 3.676,380 2.849,381 5.324,382 3.348,383 2.4,384 2.975,386 6.892,387 2.268,388 3.521,389 2.578,390 5.247,391 3.215,392 2.261,393 2.802,395 6.594,396 2.141,397 3.521,398 2.578,399 5.247,400 3.214,401 2.26,402 2.802,404 6.594,405 2.139,406 3.378,407 2.254,408 4.997,409 3.054,410 2.09,411 2.487,413 5.926,414 2.004,415 3.377,416 2.254,417 4.997,418 3.052,419 2.089,420 2.487,422 5.926,423 2,424 2.936,425 1.961,426 4.583,427 2.906,428 1.91,429 2.013,431 4.454,432 1.899,433 2.895,434 1.961,435 4.583,436 2.687,437 1.692,438 2.007,440 4.454,441 1.682,442 2.864,443 1.919,444 4.067,445 2.534,446 1.544,447 1.905,449 3.839,450 1.526,451 29.138,452 0.478,453 1.245,454 0.02,455 70.5,456 1.156,457 32,458 0.525,459 38.5,460 0.631,461 73.049,462 1.198,463 66.862,464 0.553,465 58.761,466 0.963,467 12.755,468 0.209,469 17.102,470 0.28,471 0.042,473 0.302,477 2,479 0.656,480 1.162,481 0.858,482 1.084,483 0.502,484 1.01,485 0.68,486 1.116,487 0.967,488 1.113,489 0.473,490 1.081,491 0.851,492 1.01,493 0.971,494 1.03,495 0.709,496 1.017,497 0.813,498 0.951,499 0.991,500 1.042,501 0.735,502 1.04,503 0.663,504 0.813,505 0.881,506 0.931,507 0.629,508 0.936,509 0.496,510 0.787,511 0.902,512 0.945,513 0.382,514 0.971,515 0.55,516 0.861,517 0.883,518 0.97,519 0.469,520 0.97,521 0.694,522 0.851,523 0.913,524 0.953,525 0.631,526 0.962,527 10.5,528 0.313,529 6.444,530 2.889,531 2.766,532 1.688,533 0.988,534 0.988,535 0.704,536 0.373,537 130770,538 308570,539 2.154,540 49.6,541 16,542 26,543 2,545 4,547 12,550 1.884,551 2.068,552 4.84,553 1.123,559 173.966,560 1.438,561 3.367,562 4.26,563 4.919,564 5.15,565 5.253,566 4.267,567 4.685,568 5.907,569 5.08,570 9297.1,571 10.487,572 279728,577 837.182,578 1.19,579 5.885,580 0.154,581 0.005,582 0.069,583 0.031,584 0.033,585 0.021,586 0.012,587 0.013,588 0.009,589 0.005,590 0.352,592 0.5,593 0.355,594 412.192,595 -0.021,596 -0.051,597 0.051,598 0.018,599 0.006,600 0.04,601 0.025,602 -0.077,603 -0.032,604 -0.068,605 0.086,606 -0.06,607 -0.035,608 -0.04,609 -0.006,610 -0.026,611 0.044,612 -0.012,613 -0.032,614 -0.057,615 -0.026,616 -0.056,617 0.018,618 -0.041,619 0.02,620 -0.007,621 0.078,622 0.037,623 0.023,624 0.059,625 0.187,626 0.079,627 0.056,628 0.027,629 0.201,630 0.025,631 0.061,632 -0.007,633 0.066,634 0.014,635 0.054,636 0.037,637 0.013,639 0.047,640 0.024,641 0.028,642 0.037,643 2.02,644 5.719,645 0.689,646 136.21,647 0.992,648 1.13,649 5.828,650 33.96,651 0.654,652 4.234,653 4.543,654 4.812,655 5.063,656 5.303,657 5.403,658 5.541,659 5.71,660 5.808,661 5.919,662 17.608,663 0.612,664 827.17,665 4.234,666 5.778,667 6.624,668 7.491,669 8.353,670 9.227,671 10.1,672 10.98,673 11.859,674 12.743,675 5,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 121,716 34,717 4,718 68,720 128,721 51,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 13,745 30,746 21,747 2,750 2,755 2,759 2,762 2,764 60,765 8,766 4,767 10,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,815 2,819 6,825 2,827 61,833 19,834 2,837 2,838 2,846 2,847 1.7,850 2,854 29.5,855 21.019,856 13.389,857 8.171,858 5.838,859 1.543,860 1.01,861 14.772,862 16.589,863 4.466,864 5.034,865 5.609,866 6.183,867 6.697,868 7,869 7.368,870 7.765,871 7.936,872 8.277,873 1,874 94,875 22.778,877 9.842,878 7.639,879 44.811,881 38.394,883 2.139,884 130.5,888 659.182,889 251.687,890 75.841,892 50.29,893 29.92,895 251.687,896 709.472,897 105.761,899 81.605,900 150.762,901 59.699,902 81.463,903 57.751,904 635.64,906 659.182,907 327.528,908 80.21,911 547.849,912 191.543,915 121.424,916 206.104,919 689.102,920 126.131,921 251.687,924 659.182,925 100.924,926 157.011,927 69.593,928 80.21,929 659.182,930 156.051,931 251.687,933 0.576,934 0.331,935 0.174,936 0.097,937 42,938 18,939 0.141,940 18,941 2,942 1.095,943 7.195,944 649.127,945 0.095,946 42,947 285.775,951 43.017,952 20.947,953 11.44,954 4.504,955 122.48,956 27.55,958 6.87,961 4.337,963 69.593,964 1066.92,965 86,970 25.437,974 -0.477,975 120.032,976 136.714,977 0.208,978 0.487,979 0.616,980 0.711,981 0.744,982 0.759,983 5.707,984 2.4,985 6.586,986 6.892,987 5.231,988 5.724,989 2.001,990 7.363,991 5.184,992 6.882,993 2.261,994 8.12,995 6.892,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.172,1002 2.26,1003 9.753,1004 6.594,1005 6.792,1006 7.894,1007 1.937,1008 11.29,1009 6.705,1010 9.498,1011 2.09,1012 11.447,1013 6.594,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.861,1020 2.089,1021 13.183,1022 5.926,1023 8.629,1024 10.421,1025 1.969,1026 15.605,1027 8.516,1028 12.25,1029 1.91,1030 14.948,1031 5.926,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.235,1037 13.66,1038 1.692,1039 16.735,1040 4.454,1041 10.635,1042 13.158,1043 2.032,1044 20.139,1045 10.507,1046 3.174,1047 1.544,1048 18.539,1049 4.454,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.435,1055 3.174,1056 10.947,1057 20.358,1058 3.839,1059 12.747,1060 16.017,1061 2.112,1062 24.791,1063 12.608,1064 2.84,1065 10.947,1066 22.188,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.638,1073 2.84,1074 8.719,1075 24.028,1076 4.52,1077 14.925,1078 18.943,1079 2.201,1080 29.505,1081 14.774,1082 2.628,1083 8.719,1084 25.877,1085 3.763,1086 16.009,1087 20.398,1088 0.104,1089 31.866,1090 15.853,1091 2.628,1092 7.905,1093 27.732,1094 3.763,1095 17.143,1096 21.907,1097 2.296,1098 34.252,1099 16.979,1100 2.4,1101 7.905,1102 29.594,1103 3.215,1104 18.253,1105 23.387,1106 0.068,1107 36.628,1108 18.082,1109 118516,1110 182850,1111 46.808,1112 79.137,1113 101.033,1114 103.208,1115 102.572,1116 100.707,1117 100.513,1118 126.72,1119 7.433,1120 281.582,1121 98.072,1122 5.587,1123 5.574,1124 6.655,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.079,1130 5.138,1131 25.157,1132 1.486,1133 1.518,1134 1.508,1135 1.481,1136 1.478,1137 1.864,1138 0.109,1139 4.141,1140 1.442,1141 4.18,1142 4.217,1143 4.132,1144 4.093,1145 8.203,1146 4.098,1147 4.125,1148 4.159,1149 4.085,1150 4.044,1151 8.2,1152 4.05,1153 3.929,1154 3.956,1155 3.882,1156 3.85,1157 7.431,1158 3.853,1159 3.914,1160 3.939,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.869,1166 3.931,1167 3.741,1168 3.733,1169 4.983,1170 3.724,1171 3.827,1172 3.892,1173 3.707,1174 3.683,1175 4.949,1176 3.68,1177 3.754,1178 3.818,1179 3.602,1180 3.633,1181 4.61,1182 3.619,1183 3.631,1184 3.696,1185 3.482,1186 3.512,1187 4.595,1188 3.493,1189 0.067,1190 0.053,1191 0.099,1192 0.061,1193 0.047,1194 4.587,1195 0.066,1196 3.574,1197 0.016,1198 6.719,1199 0.161,1200 4.163,1201 0.046,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.138,1207 1.971,1208 1.946,1209 2.1,1210 2.073,1211 1.47,1212 2.082,1213 1.971,1214 1.946,1215 2.091,1216 2.071,1217 1.459,1218 2.079,1219 1.889,1220 1.864,1221 2.054,1222 2.025,1223 1.415,1224 2.03,1225 1.888,1226 1.864,1227 2.012,1228 2.019,1229 1.302,1230 2.02,1231 1.847,1232 1.793,1233 2.001,1234 1.966,1235 1.163,1236 1.985,1237 1.832,1238 1.779,1239 1.969,1240 1.959,1241 1.141,1242 1.962,1243 1.788,1244 1.731,1245 1.959,1246 1.942,1247 1.101,1248 1.955,1249 1.676,1250 1.614,1251 1.922,1252 1.839,1253 1.055,1254 1.872,1255 4.92,1257 6.232,1258 3.045,1259 7.729,1260 5.416,1261 9.31,1262 7.535,1263 10.94,1267 26.614,1271 23.412,1272 5.957,1275 1.014,1276 5.282,1280 74.075,1281 173.966,1282 407.387,1283 515.487,1284 595.25,1285 623.208,1286 635.673,1287 132.919,1288 10.751,1289 96.26,1290 96.26,1291 46,1292 13.278,1293 5.129,1294 4.248,1295 92.097,1296 676,1297 557,1298 0.063,1299 445.149,1300 780.06,1301 1077.92,1302 1499080,1303 1.7,1304 41.969,1305 0.688,1306 0.579,1307 40.229,1308 35.294,1309 29.857,1310 0.439,1311 0.333,1312 22.456,1313 29.013,1314 22.071,1315 18.226,1316 29.069,1317 22.667,1318 26.475,1319 0.285,1320 0.187,1321 25.232,1322 17.345,1323 22.514,1324 0.185,1325 0.108,1326 21.693,1327 13.16,1328 18.383,1329 0.117,1330 0.061,1331 18.08,1332 9.568,1333 15.069,1334 0.075,1335 0.035,1336 14.647,1337 7.013,1338 0.109,1339 184.975,1340 0.146,1341 53.093,1342 0.149,1343 322,1344 862.315,1345 345.803,1346 795.848,1347 1084.46,1348 746,1349 376,1350 792.615,1351 398.796,1352 796.111,1353 1164.92,1354 754,1355 7.886} {0 CHEMBL51,1 1.639,2 13.138,3 2.991,4 8.947,5 106.828,6 7.754,7 0.375,8 4.036,9 4.15,10 3.632,11 3.581,12 5.167,13 3.572,14 4.604,15 4.771,16 4.013,17 3.998,18 5.737,19 3.965,20 4.933,21 5.14,22 4.116,23 4.162,24 6.063,25 4.109,26 4.999,27 5.216,28 4.007,29 4.088,30 6.246,31 4.017,32 4.917,33 5.163,34 3.83,35 3.974,36 6.016,37 3.882,38 4.763,39 4.999,40 3.765,41 3.915,42 5.863,43 3.815,44 4.773,45 5.014,46 3.662,47 3.83,48 5.838,49 3.738,50 4.62,51 4.859,52 3.508,53 3.679,54 5.735,55 3.595,56 0.064,57 0.813,58 9.521,59 4.688,60 12.032,61 5.818,62 0.347,63 1.348,64 19.265,65 7.916,66 27.942,67 10.296,68 0.455,69 1.704,70 30.01,71 11.216,72 67.544,73 14.57,74 0.756,75 1.624,76 34.186,77 11.584,78 140.018,79 15.084,80 0.803,81 1.435,82 33.075,83 10.446,84 108.051,85 14.25,86 0.482,87 1.332,88 26.605,89 9.648,90 89.563,91 13.327,92 0.563,93 1.323,94 28.161,95 9.139,96 99.214,97 12.132,98 0.625,99 1.213,100 24.67,101 7.805,102 100.706,103 9.821,104 17,105 45,106 0.274,107 0.579,108 0.723,109 0.828,110 0.844,111 0.844,112 3.408,113 0.916,114 -4.2,115 -4.14,116 -3.92,119 43.1,121 2,122 1,125 4,140 8,141 2,142 2,155 1,156 1,157 1,169 10,171 2,172 6,174 2,176 2,178 10,181 1,182 7,186 2,189 8,192 1,193 8,195 1,197 1,199 6,202 3,203 8,206 1,211 4,215 5,226 8,231 2,233 2,236 1,237 4,242 1,244 3,249 2,256 5,259 1306,260 19.568,261 19.568,262 19.568,263 19.568,264 19.568,265 17.776,266 24.919,267 11.392,268 19.846,269 15.734,270 15.734,271 15.734,272 15.734,273 15.734,274 12.926,275 33.67,276 5.381,277 16.149,278 4.034,279 2.213,280 1.348,281 0.721,282 0.627,283 0.627,284 4.104,288 1,289 1,290 832,291 3.082,295 369.123,299 144.937,302 1.995,303 43.796,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 381,316 4.463,317 3.908,318 6.746,319 4.163,320 3.187,321 4.005,322 1.725,323 10.914,324 3.106,325 4.259,326 3.72,327 6.393,328 3.998,329 2.982,330 3.787,331 1.277,332 9.675,333 3.03,334 3.798,335 3.327,336 5.928,337 3.519,338 2.568,339 3.113,340 1.058,341 8.133,342 2.444,343 3.767,344 2.893,345 5.423,346 3.427,347 2.458,348 3.071,349 0.8,350 7.106,351 2.374,352 3.49,353 2.834,354 5.195,355 3.257,356 2.313,357 2.574,358 0.214,359 6.418,360 2.166,361 3.393,362 2.667,363 5.181,364 3.028,365 2.029,366 2.555,368 6.005,369 2.01,370 3.103,371 2.107,372 4.903,373 2.861,374 1.896,375 2.198,377 5.55,378 1.814,379 2.882,380 1.921,381 3.942,382 2.432,383 1.441,384 2.041,386 3.113,387 1.426,388 2.591,389 1.817,390 3.736,391 2.171,392 1.172,393 1.575,395 2.953,396 1.163,397 2.5,398 1.538,399 3.674,400 2,401 1,402 1.5,404 2.387,405 1,406 2.408,407 1.311,408 3.452,409 1.999,410 1,411 1.267,413 2.275,414 0.988,415 2.14,416 1.077,417 3.414,418 1.984,419 0.971,420 1,422 2.275,423 0.983,424 2,425 1,426 3.414,427 1.803,428 0.778,429 0.965,431 1.907,432 0.787,433 1.327,434 0.737,435 2.928,436 1.087,437 0.086,438 0.099,440 0.216,441 0.085,442 1.281,443 0.527,444 2.644,445 0.882,446 -0.127,447 -0.164,449 -0.308,450 -0.126,451 13.486,452 0.465,453 0.733,454 0.025,455 36,456 1.241,457 17,458 0.586,459 19,460 0.655,461 24.218,462 0.835,463 31.514,464 0.618,465 28.17,466 0.971,467 7.146,468 0.246,469 6.879,470 0.237,471 0.095,473 0.356,477 1,479 0.587,480 1.206,481 0.712,482 1.089,483 0.487,484 0.958,485 0.583,486 1.006,487 0.848,488 1.015,489 0.503,490 0.991,491 0.895,492 1.007,493 0.94,494 1.058,495 0.81,496 1.011,497 1.089,498 0.975,499 1.09,500 1.078,501 1.126,502 1.087,503 0.98,504 0.687,505 1.019,506 0.816,507 1.059,508 0.908,509 0.625,510 0.964,511 0.924,512 1.091,513 0.593,514 1.081,515 1.15,516 0.963,517 1.125,518 0.986,519 1.162,520 1.036,521 1.454,522 0.988,523 1.261,524 0.876,525 1.461,526 0.989,527 5.5,528 0.182,529 4,530 2.188,531 1.822,532 0.938,533 0.585,534 0.391,535 0.188,536 0.178,537 12142,538 36271,539 2.09,540 43.1,542 16,545 1,546 1,547 4,550 1.713,551 1.955,552 3.636,553 -0.336,554 1,555 1,559 83.569,560 1.639,561 3.459,562 4.324,563 4.952,564 5.045,565 5.045,566 3.073,567 4.28,568 4.831,569 3.818,570 1550.24,571 8.378,572 21748.1,574 1,576 1,577 289.294,578 1.416,579 4.788,580 0.172,581 0.008,582 0.089,583 0.046,584 0.046,585 0.028,586 0.018,587 0.014,588 0.008,589 0.008,590 0.436,591 0.33,592 1,593 0.562,594 149.908,595 -0.029,596 -0.141,597 0.043,598 -0.039,599 -0.007,600 0.006,601 0.086,602 0.02,603 -0.006,604 -0.025,605 0.051,606 -0.037,607 -0.057,608 -0.041,609 -0.005,610 -0.075,611 -0.006,612 -0.031,613 -0.056,614 -0.119,615 -0.094,616 -0.122,617 -0.022,618 -0.119,619 -0.039,620 0.082,621 -0.003,622 0.113,623 -0.087,624 0.068,625 0.091,626 -0.115,627 0.03,628 -0.112,629 0.094,630 -0.066,631 -0.161,632 -0.091,633 -0.11,634 -0.041,635 -0.157,636 -0.059,637 -0.227,638 0.082,639 -0.208,640 0.077,641 -0.237,642 -0.031,643 2.074,644 5.597,645 0.759,646 29.208,647 1.012,648 1.13,649 2.971,650 8.828,651 0.665,652 3.497,653 3.829,654 4.111,655 4.331,656 4.564,657 4.595,658 4.625,659 4.682,660 4.787,661 4.836,662 7.536,663 0.644,664 395.47,665 3.497,666 5.043,667 5.9,668 6.774,669 7.643,670 8.521,671 9.395,672 10.275,673 11.15,674 12.031,675 5.9,678 1,682 2,688 8,693 4,695 12,700 1,713 1,714 51,716 15,717 2,718 32,720 54,721 22,722 12,723 4,724 8,725 2,730 4,731 5,735 1,740 2,741 1,743 2,745 15,746 7,747 1,750 3,755 3,759 3,761 1,762 1,764 22,765 7,766 1,767 7,773 3,775 1,777 0.75,778 3,793 4,797 1,815 1,819 3,825 1,827 29,833 6,834 1,837 1,838 2,846 1,847 5.9,850 3,854 14.833,855 9.043,856 6.333,857 3.195,858 2.172,859 1.282,860 0.989,861 5.636,862 9.88,863 3.738,864 4.263,865 4.771,866 5.227,867 5.67,868 5.755,869 5.871,870 5.95,871 6.089,872 6.159,873 0.889,874 48,875 10.866,877 4.829,878 8.034,879 20.378,881 17.208,883 2.534,884 73.5,887 1,888 247.193,889 121.665,890 24.259,892 75.435,893 14.96,895 121.665,896 322.628,897 39.219,899 34.627,900 75.81,901 85.273,902 21.373,903 19.236,904 247.193,906 247.193,907 145.924,908 90.395,911 215.069,912 122.519,915 37.751,916 108.173,919 262.153,920 99.694,921 121.665,924 247.193,925 45.855,926 82.059,927 18.011,928 90.395,929 247.193,930 114.654,931 121.665,933 0.588,934 0.35,935 0.182,936 0.099,937 22,938 10,939 0.093,940 5,941 1,942 1.091,943 4.123,944 251.105,945 0.091,946 22,947 130.881,951 19.596,952 8.34,953 4.178,955 114.654,956 12.643,961 1.226,963 18.011,964 483.512,965 41,970 37.443,974 -0.646,975 51.636,976 57.615,977 0.289,978 0.61,979 0.762,980 0.873,981 0.889,982 0.889,983 4.99,984 1.441,985 5.889,986 5.55,987 4.511,988 4.949,989 2.532,990 6.701,991 4.466,992 6.171,993 1.172,994 7.455,995 3.113,996 4.111,997 4.691,998 1.404,999 7.612,1000 4.041,1001 7.464,1002 1,1003 9.122,1004 2.953,1005 6.111,1006 7.011,1007 3.053,1008 10.71,1009 6.025,1010 8.788,1011 1,1012 10.847,1013 2.387,1014 6.524,1015 7.551,1016 2.548,1017 12.438,1018 6.43,1019 10.144,1020 0.971,1021 12.61,1022 2.275,1023 7.995,1024 9.369,1025 3.785,1026 15.067,1027 7.883,1028 11.523,1029 0.778,1030 14.399,1031 2.275,1032 8.781,1033 10.284,1034 3.698,1035 17.14,1036 8.67,1037 12.919,1038 0.086,1039 16.207,1040 1.907,1041 10.042,1042 11.89,1043 4.655,1044 19.608,1045 9.915,1046 3.187,1047 -0.127,1048 18.03,1049 0.216,1050 11.01,1051 13.001,1052 4.835,1053 21.838,1054 10.883,1055 2.982,1056 10.914,1057 19.864,1058 -0.308,1059 12.188,1060 14.502,1061 5.617,1062 24.245,1063 12.046,1064 2.568,1065 9.675,1066 21.708,1067 4.005,1068 13.243,1069 15.722,1070 5.956,1071 26.549,1072 13.097,1073 2.458,1074 8.133,1075 23.56,1076 3.787,1077 14.39,1078 17.167,1079 6.635,1080 28.934,1081 14.231,1082 2.313,1083 7.106,1084 25.418,1085 3.113,1086 15.488,1087 18.45,1088 7.065,1089 31.274,1090 15.32,1091 2.029,1092 6.418,1093 27.282,1094 3.071,1095 16.626,1096 19.864,1097 7.685,1098 33.653,1099 16.444,1100 1.896,1101 6.005,1102 29.15,1103 2.574,1104 17.746,1105 21.183,1106 8.166,1107 36.011,1108 17.55,1109 11418,1110 19858,1111 21.383,1112 33.932,1113 48.369,1114 51.049,1115 49.909,1116 47.897,1117 47.764,1118 59.5,1119 10.15,1120 137.856,1121 46.751,1122 5.463,1123 5.908,1124 6.427,1125 5.235,1126 5.187,1127 7.005,1128 3.025,1129 18.424,1130 5.106,1131 14.163,1132 1.512,1133 1.595,1134 1.56,1135 1.497,1136 1.493,1137 1.859,1138 0.317,1139 4.308,1140 1.461,1141 4.014,1142 4.049,1143 3.963,1144 3.909,1145 8.201,1146 3.914,1147 3.953,1148 3.979,1149 3.902,1150 3.866,1151 7.445,1152 3.87,1153 3.81,1154 3.862,1155 3.708,1156 3.678,1157 7.426,1158 3.676,1159 3.578,1160 3.629,1161 3.495,1162 3.388,1163 7.412,1164 3.406,1165 3.34,1166 3.384,1167 3.268,1168 3.118,1169 4.729,1170 3.148,1171 3.135,1172 3.206,1173 3.066,1174 2.941,1175 4.601,1176 2.934,1177 3.111,1178 3.18,1179 2.975,1180 2.921,1181 4.316,1182 2.91,1183 3.071,1184 3.091,1185 2.866,1186 2.865,1187 4.005,1188 2.892,1189 0.139,1190 0.122,1191 0.211,1192 0.13,1193 0.1,1194 4.463,1195 0.125,1196 3.908,1197 0.054,1198 6.746,1199 0.341,1200 4.163,1201 0.097,1202 3.187,1203 4.005,1204 1.725,1205 10.914,1206 3.106,1207 1.942,1208 1.914,1209 2.079,1210 2.082,1211 1.432,1212 2.079,1213 1.928,1214 1.904,1215 2.021,1216 2.043,1217 1.144,1218 2.038,1219 1.795,1220 1.743,1221 1.955,1222 1.94,1223 1.069,1224 1.946,1225 1.527,1226 1.47,1227 1.745,1228 1.733,1229 1.01,1230 1.738,1231 1.244,1232 1.201,1233 1.513,1234 1.501,1235 0.825,1236 1.477,1237 1.153,1238 1.064,1239 1.4,1240 1.376,1241 0.573,1242 1.429,1243 1.054,1244 1.009,1245 1.271,1246 1.311,1247 0.359,1248 1.293,1249 0.981,1250 0.947,1251 1.186,1252 1.217,1253 0.229,1254 1.191,1255 4.174,1257 5.501,1259 7.033,1261 8.654,1263 10.321,1267 13.045,1271 3.725,1272 2.749,1275 -0.08,1276 3.396,1280 32.86,1281 83.569,1282 176.433,1283 220.539,1284 252.539,1285 257.294,1286 257.294,1287 71.212,1288 7.709,1289 75.17,1290 75.17,1291 24,1292 12.567,1293 4,1294 3.322,1295 45.087,1296 134,1297 131,1298 0.164,1299 199.452,1300 359.6,1301 478.422,1302 26132,1303 2,1304 20.38,1305 0.703,1306 0.55,1307 19.51,1308 15.936,1309 14.025,1310 0.438,1311 0.305,1312 9.626,1313 13.453,1314 9.486,1315 7.768,1316 13.631,1317 9.767,1318 12.682,1319 0.282,1320 0.165,1321 12.06,1322 7.42,1323 11.071,1324 0.185,1325 0.094,1326 10.661,1327 5.616,1328 8.884,1329 0.118,1330 0.052,1331 8.732,1332 3.912,1333 7.097,1334 0.075,1335 0.03,1336 6.88,1337 2.816,1338 0.265,1339 88.305,1340 0.216,1341 28.021,1342 0.429,1343 154,1344 522.941,1345 171.412,1346 474.173,1347 625.9,1348 440,1349 182,1350 441.13,1351 199.243,1352 437.787,1353 643.41,1354 413,1355 6.577} {0 CHEMBL510280,1 1.528,2 23.615,3 7.429,4 55.184,5 200.692,6 7.456,7 0.542,8 4.644,9 4.768,10 4.216,11 4.215,12 5.714,13 4.192,14 5.212,15 5.381,16 4.601,17 4.656,18 6.266,19 4.607,20 5.537,21 5.756,22 4.656,23 4.827,24 6.534,25 4.738,26 5.627,27 5.869,28 4.581,29 4.827,30 6.573,31 4.708,32 5.629,33 5.898,34 4.54,35 4.772,36 6.504,37 4.652,38 5.542,39 5.789,40 4.55,41 4.759,42 6.566,43 4.645,44 5.549,45 5.803,46 4.486,47 4.764,48 6.416,49 4.632,50 5.55,51 5.817,52 4.439,53 4.707,54 6.42,55 4.575,56 0.043,57 1.525,58 18.964,59 8.662,60 11.531,61 11.224,62 0.278,63 2.561,64 36.469,65 15.04,66 37.254,67 20.071,68 0.476,69 3.296,70 55.471,71 21.542,72 80.18,73 28.931,74 0.516,75 3.353,76 62.935,77 23.757,78 98.784,79 32.762,80 0.682,81 3.195,82 65.59,83 23.06,84 97.129,85 32.949,86 0.963,87 3.125,88 58.166,89 20.917,90 138.82,91 29.774,92 0.508,93 3.068,94 58.406,95 22.513,96 77.723,97 31.8,98 0.558,99 3.021,100 60.239,101 22.326,102 91.384,103 31.471,104 17,105 84,106 0.222,107 0.526,108 0.648,109 0.713,110 0.713,111 0.713,112 3.972,113 0.924,114 -5.62,115 -5.49,116 -5.12,119 44.7,121 4,122 2,125 6,140 14,141 6,142 4,149 2,150 2,156 2,169 20,172 6,174 2,176 12,178 22,181 1,182 6,186 14,189 16,193 10,197 10,199 12,203 10,207 2,208 2,211 18,215 6,218 2,220 4,222 22,226 6,229 2,231 2,233 18,237 8,240 2,242 4,244 16,249 2,252 2,254 4,256 17,259 7188,260 35.651,261 35.651,262 35.651,263 35.651,264 35.651,265 31.705,266 42.147,267 20.702,268 36.183,269 29.122,270 29.122,271 29.122,272 29.122,273 29.122,274 23.074,275 53.331,276 9.891,277 29.991,278 5.026,279 2.925,280 2.089,281 1.638,282 1.638,283 1.638,284 4.697,290 2760,291 4.243,294 288.487,295 1104.34,298 523.737,302 3.538,303 52.74,306 0.5,307 0.67,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.7,314 112,315 1228,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.139,325 4.587,326 3.574,327 6.719,328 4.162,329 3.174,330 4.52,331 1.058,332 10.947,333 3.138,334 4.193,335 3.298,336 6.057,337 3.838,338 2.84,339 3.763,340 0.8,341 8.719,342 2.83,343 4.193,344 3.295,345 6.057,346 3.838,347 2.839,348 3.763,349 0.8,350 8.719,351 2.83,352 3.829,353 2.918,354 5.781,355 3.621,356 2.666,357 3.215,359 7.923,360 2.561,361 3.82,362 2.885,363 5.776,364 3.569,365 2.595,366 3.214,368 7.892,369 2.533,370 3.69,371 2.883,372 5.396,373 3.38,374 2.426,375 2.976,377 7.078,378 2.3,379 3.667,380 2.782,381 5.274,382 3.315,383 2.367,384 2.974,386 6.746,387 2.237,388 3.547,389 2.597,390 5.254,391 3.234,392 2.279,393 2.806,395 6.622,396 2.16,397 3.5,398 2.536,399 5.208,400 3.155,401 2.207,402 2.798,404 6.489,405 2.078,406 3.414,407 2.258,408 4.997,409 3.057,410 2.094,411 2.556,413 5.926,414 2.004,415 3.295,416 2.243,417 4.997,418 3.02,419 2.065,420 2.391,422 5.925,423 1.959,424 2.896,425 1.961,426 4.59,427 2.534,428 1.546,429 2.016,431 4.472,432 1.526,433 2.856,434 1.96,435 4.572,436 2.486,437 1.502,438 1.965,440 4.411,441 1.476,442 2.781,443 1.56,444 4.068,445 2.29,446 1.3,447 1.809,449 3.424,450 1.272,451 24.638,452 0.474,453 1.245,454 0.024,455 66,456 1.269,457 32,458 0.615,459 34,460 0.654,461 53.873,462 1.036,463 55.162,464 0.587,465 57.285,466 1.102,467 12.749,468 0.245,469 12.607,470 0.242,471 0.05,473 0.357,477 2,479 0.651,480 1.101,481 0.765,482 0.999,483 0.503,484 0.914,485 0.691,486 1.052,487 0.895,488 1.025,489 0.484,490 0.994,491 0.886,492 1.002,493 1.018,494 1.054,495 0.747,496 1.054,497 0.815,498 0.979,499 1.028,500 1.104,501 0.755,502 1.103,503 0.714,504 0.762,505 0.88,506 0.876,507 0.647,508 0.898,509 0.555,510 0.753,511 0.96,512 0.942,513 0.408,514 0.998,515 0.546,516 0.876,517 0.933,518 1.04,519 0.481,520 1.051,521 0.668,522 0.837,523 0.897,524 0.957,525 0.627,526 0.967,527 10.5,528 0.304,529 6.444,530 2.764,531 2.846,532 1.744,533 0.906,534 0.981,535 0.745,536 0.373,537 72645,538 189965,539 2.182,540 44.7,541 2,542 26,543 2,545 4,547 8,550 1.853,551 2.08,552 4.468,553 1.23,559 143.667,560 1.528,561 3.63,562 4.466,563 4.916,564 4.916,565 4.916,566 3.902,567 4.316,568 5.671,569 4.669,570 6191.21,571 10.051,572 146400,577 616.131,578 1.272,579 5.649,580 0.178,581 0.005,582 0.077,583 0.033,584 0.037,585 0.024,586 0.012,587 0.014,588 0.011,589 0.006,590 0.396,592 0.63,593 0.394,594 328.018,595 -0.039,596 -0.056,597 0.047,598 0.023,599 -0.012,600 0.046,601 0.004,602 -0.046,603 -0.024,604 -0.031,605 0.07,606 -0.031,607 -0.066,608 -0.033,609 -0.076,610 -0.061,611 0.016,612 -0.066,613 -0.046,614 -0.108,615 -0.067,616 -0.117,617 -0.002,618 -0.099,619 -0.004,620 0.014,621 0.103,622 0.081,623 0.009,624 0.106,625 0.156,626 0.114,627 -0.002,628 0.02,629 0.188,630 -0.009,631 0.051,632 -0.044,633 0.015,634 -0.048,635 0.041,636 -0.028,637 0.022,638 -0.028,639 0.081,640 0.024,641 0.028,642 0.054,643 2.032,644 5.73,645 0.808,646 97.189,647 1.001,648 1.127,649 4.392,650 19.293,651 0.673,652 4.094,653 4.443,654 4.736,655 5.004,656 5.263,657 5.371,658 5.517,659 5.707,660 5.832,661 5.964,662 13.134,663 0.642,664 700.9,665 4.094,666 5.659,667 6.524,668 7.407,669 8.284,670 9.17,671 10.053,672 10.942,673 11.829,674 12.72,675 6.4,678 2,682 2,683 2,687 4,688 16,690 2,693 8,695 32,702 2,713 2,714 94,716 34,717 4,718 59,720 101,721 42,722 28,723 10,724 14,725 2,730 8,731 10,740 4,741 2,743 4,745 30,746 12,747 2,750 2,755 2,759 2,762 2,764 42,765 8,766 4,767 10,773 6,777 0.75,778 2,788 2,792 2,793 6,796 2,815 2,819 6,825 2,827 52,833 10,834 2,837 2,838 2,846 2,847 2.1,850 2,854 25,855 16.519,856 11.139,857 5.921,858 5.914,859 1.554,860 1.042,861 10.026,862 16.584,863 4.357,864 4.973,865 5.575,866 6.165,867 6.687,868 6.994,869 7.364,870 7.765,871 7.94,872 8.286,873 0.938,874 85,875 19.379,877 8.564,878 7.75,879 37.462,881 32.394,883 2.25,884 117,888 447.302,889 228.876,890 75.841,892 50.29,893 29.92,895 228.876,896 497.592,897 105.761,899 58.794,900 150.762,901 59.699,902 81.463,903 57.751,904 423.76,906 447.302,907 304.717,908 80.21,911 383.053,912 144.459,915 98.614,916 206.104,919 477.222,920 126.131,921 228.876,924 447.302,925 78.114,926 157.011,927 69.593,928 80.21,929 447.302,930 156.051,931 228.876,933 0.59,934 0.344,935 0.181,936 0.102,937 42,938 18,939 0.089,940 9,941 2,942 1.095,943 6.221,944 566.507,945 0.095,946 42,947 228.423,951 34.437,952 15.14,953 7.77,954 4.392,955 122.48,956 27.285,958 6.841,961 4.166,963 69.593,964 832.229,965 77,970 25.46,974 -0.513,975 94.079,976 105.977,977 0.233,978 0.554,979 0.681,980 0.75,981 0.75,982 0.75,983 5.613,984 2.367,985 6.509,986 7.078,987 5.13,988 5.663,989 2.001,990 7.317,991 5.077,992 6.816,993 2.279,994 8.065,995 6.746,996 4.691,997 5.472,998 0.57,999 8.189,1000 4.612,1001 8.123,1002 2.207,1003 9.716,1004 6.622,1005 6.73,1006 7.874,1007 1.937,1008 11.279,1009 6.637,1010 9.463,1011 2.094,1012 11.423,1013 6.489,1014 7.107,1015 8.546,1016 0.479,1017 12.996,1018 7.004,1019 10.836,1020 2.065,1021 13.167,1022 5.926,1023 8.597,1024 10.415,1025 1.969,1026 15.603,1027 8.48,1028 12.233,1029 1.546,1030 14.938,1031 5.925,1032 9.353,1033 11.505,1034 0.346,1035 17.689,1036 9.235,1037 13.648,1038 1.502,1039 16.728,1040 4.472,1041 10.62,1042 13.157,1043 2.032,1044 20.139,1045 10.49,1046 3.174,1047 1.3,1048 18.536,1049 4.411,1050 11.565,1051 14.457,1052 0.237,1053 22.391,1054 11.434,1055 3.174,1056 10.947,1057 20.356,1058 3.424,1059 12.741,1060 16.016,1061 2.112,1062 24.792,1063 12.601,1064 2.84,1065 10.947,1066 22.187,1067 4.52,1068 13.78,1069 17.421,1070 0.158,1071 27.118,1072 13.638,1073 2.839,1074 8.719,1075 24.028,1076 4.52,1077 14.923,1078 18.943,1079 2.201,1080 29.506,1081 14.771,1082 2.666,1083 8.719,1084 25.876,1085 3.763,1086 16.01,1087 20.398,1088 0.104,1089 31.866,1090 15.853,1091 2.595,1092 7.923,1093 27.732,1094 3.763,1095 17.143,1096 21.907,1097 2.296,1098 34.252,1099 16.977,1100 2.426,1101 7.892,1102 29.594,1103 3.215,1104 18.254,1105 23.387,1106 0.068,1107 36.628,1108 18.082,1109 65422,1110 106140,1111 40.569,1112 63.285,1113 89.861,1114 91.778,1115 91.189,1116 89.266,1117 89.098,1118 115.304,1119 7.433,1120 258.783,1121 86.654,1122 5.587,1123 5.574,1124 6.133,1125 5.208,1126 5.174,1127 7.52,1128 2.117,1129 18.08,1130 5.139,1131 22.18,1132 1.523,1133 1.556,1134 1.546,1135 1.513,1136 1.51,1137 1.954,1138 0.126,1139 4.386,1140 1.469,1141 4.177,1142 4.213,1143 4.13,1144 4.09,1145 8.203,1146 4.096,1147 4.124,1148 4.158,1149 4.084,1150 4.043,1151 8.2,1152 4.049,1153 3.926,1154 3.951,1155 3.881,1156 3.849,1157 7.431,1158 3.851,1159 3.913,1160 3.937,1161 3.868,1162 3.835,1163 7.427,1164 3.838,1165 3.862,1166 3.929,1167 3.748,1168 3.707,1169 4.982,1170 3.707,1171 3.77,1172 3.832,1173 3.651,1174 3.64,1175 4.949,1176 3.634,1177 3.521,1178 3.576,1179 3.45,1180 3.362,1181 4.61,1182 3.371,1183 3.483,1184 3.54,1185 3.42,1186 3.292,1187 4.595,1188 3.313,1189 0.078,1190 0.061,1191 0.114,1192 0.071,1193 0.054,1194 4.587,1195 0.077,1196 3.574,1197 0.018,1198 6.719,1199 0.186,1200 4.163,1201 0.053,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.139,1207 1.973,1208 1.947,1209 2.099,1210 2.083,1211 1.467,1212 2.091,1213 1.968,1214 1.944,1215 2.074,1216 2.061,1217 1.437,1218 2.064,1219 1.891,1220 1.865,1221 2.011,1222 2.028,1223 1.167,1224 2.025,1225 1.885,1226 1.862,1227 1.999,1228 1.993,1229 1.141,1230 1.999,1231 1.84,1232 1.789,1233 1.964,1234 1.96,1235 1.062,1236 1.962,1237 1.803,1238 1.751,1239 1.954,1240 1.95,1241 1.055,1242 1.954,1243 1.534,1244 1.471,1245 1.739,1246 1.735,1247 1.028,1248 1.738,1249 1.425,1250 1.36,1251 1.599,1252 1.657,1253 0.825,1254 1.644,1255 4.779,1257 6.12,1258 3.045,1259 7.646,1260 5.416,1261 9.252,1262 7.535,1263 10.899,1267 26.612,1271 10.733,1272 5.931,1275 0.911,1276 5.181,1280 60.334,1281 143.667,1282 341.211,1283 419.809,1284 462.131,1285 462.131,1286 462.131,1287 103.024,1288 10.67,1289 96.26,1290 96.26,1291 46,1292 13.249,1293 5.129,1294 4.248,1295 71.907,1296 422,1297 397,1298 0.081,1299 358.818,1300 624.36,1301 867.276,1302 1082710,1303 2.1,1304 35.606,1305 0.685,1306 0.556,1307 33.865,1308 28.93,1309 25.357,1310 0.43,1311 0.308,1312 17.956,1313 24.514,1314 17.66,1315 14.477,1316 24.569,1317 18.167,1318 23.293,1319 0.277,1320 0.169,1321 22.05,1322 14.163,1323 20.273,1324 0.179,1325 0.097,1326 19.451,1327 10.943,1328 16.751,1329 0.113,1330 0.054,1331 16.448,1332 7.942,1333 13.965,1334 0.073,1335 0.031,1336 13.543,1337 5.872,1338 0.135,1339 157.975,1340 0.157,1341 45.802,1342 0.201,1343 286,1344 826.315,1345 309.803,1346 758.394,1347 1032.62,1348 710,1349 340,1350 756.615,1351 362.824,1352 758.661,1353 1113.17,1354 718,1355 6.66} {0 CHEMBL511279,1 1.618,2 14.118,3 4.046,4 16.366,5 127.01,6 7.525,7 0.447,8 4.234,9 4.353,10 3.814,11 3.75,12 5.291,13 3.741,14 4.83,15 5.014,16 4.205,17 4.154,18 6.001,19 4.133,20 5.086,21 5.296,22 4.288,23 4.353,24 6.131,25 4.295,26 5.154,27 5.363,28 4.242,29 4.413,30 6.107,31 4.319,32 5.265,33 5.509,34 4.243,35 4.398,36 6.378,37 4.291,38 5.204,39 5.466,40 4.086,41 4.268,42 6.236,43 4.15,44 5.039,45 5.305,46 3.879,47 4.095,48 5.945,49 3.978,50 4.908,51 5.166,52 3.726,53 3.991,54 5.818,55 3.867,56 0.052,57 1.057,58 12.461,59 5.808,60 12.872,61 7.41,62 0.589,63 1.85,64 26.659,65 9.29,66 73.78,67 12.341,68 0.823,69 2.088,70 35.796,71 12.24,72 69.369,73 16.696,74 0.409,75 2.148,76 37.4,77 15.077,78 49.423,79 20.194,80 0.868,81 2.332,82 45.239,83 16.194,84 131.744,85 22.216,86 0.917,87 2.202,88 44.06,89 14.898,90 105.298,91 20.402,92 0.607,93 1.783,94 37.229,95 12.145,96 72.102,97 17.019,98 0.677,99 1.603,100 32.758,101 10.781,102 73.319,103 14.695,104 19,105 54,106 0.259,107 0.556,108 0.733,109 0.854,110 0.865,111 0.865,112 3.56,113 0.921,114 -4.05,115 -4,116 -3.79,119 41.9,120 1,121 1,125 7,128 1,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 9,178 8,181 3,182 10,189 6,192 1,193 8,199 6,202 1,203 6,211 2,214 1,215 7,222 1,225 1,226 3,233 2,236 2,237 1,244 4,248 1,249 3,256 6,259 1952,260 23.085,261 23.085,262 23.085,263 23.085,264 23.085,265 20.94,266 28.266,267 13.506,268 23.739,269 18.768,270 18.768,271 18.768,272 18.768,273 18.768,274 15.434,275 35.858,276 6.397,277 19.838,278 4.336,279 2.483,280 1.383,281 0.625,282 0.561,283 0.561,284 4.27,288 1,289 1,290 1056,291 3.391,295 464.154,299 311.248,302 2.059,303 40.473,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 75,315 480,316 4.551,317 3.823,318 6.793,319 4.148,320 3.196,321 4.474,322 2.055,323 11.177,324 3.046,325 4.477,326 3.281,327 6.695,328 4.108,329 3.139,330 4.081,331 1.51,332 10.856,333 3.039,334 3.875,335 3.212,336 6.028,337 3.619,338 2.67,339 3.249,340 0.933,341 8.531,342 2.549,343 3.85,344 3.182,345 5.807,346 3.551,347 2.597,348 3.111,349 0.8,350 8,351 2.458,352 3.53,353 2.875,354 5.332,355 3.299,356 2.363,357 2.735,358 0.8,359 6.891,360 2.214,361 3.344,362 2.648,363 5.048,364 3.008,365 2.095,366 2.521,367 0.51,368 5.745,369 1.967,370 3.238,371 2.442,372 4.959,373 2.963,374 2.041,375 2.409,377 5.548,378 1.866,379 3.135,380 2.257,381 4.678,382 2.854,383 1.871,384 2.243,386 5.126,387 1.75,388 3.027,389 2.094,390 4.559,391 2.576,392 1.605,393 2.159,395 4.495,396 1.559,397 2.912,398 1.652,399 4.311,400 2.484,401 1.547,402 2.068,404 3.99,405 1.441,406 2.775,407 1.494,408 4.035,409 2.398,410 1.418,411 1.843,413 3.464,414 1.386,415 2.36,416 1.459,417 3.682,418 2.141,419 1.207,420 1.346,422 2.797,423 1.109,424 2.246,425 1.246,426 3.414,427 1.967,428 1,429 1.159,431 2.275,432 0.965,433 2,434 1.146,435 3.377,436 1.83,437 0.854,438 1,440 2.035,441 0.831,442 1.805,443 0.925,444 3.252,445 1.602,446 0.635,447 0.716,449 1.566,450 0.611,451 15.838,452 0.466,453 0.853,454 0.025,455 42,456 1.235,457 19,458 0.559,459 23,460 0.676,461 31.725,462 0.933,463 37.562,464 0.606,465 33.508,466 0.986,467 8.408,468 0.247,469 8.084,470 0.238,471 0.089,473 0.36,475 2,479 0.627,480 1.239,481 0.723,482 1.183,483 0.529,484 1.019,485 0.869,486 0.959,487 0.891,488 0.91,489 0.603,490 0.89,491 0.823,492 0.732,493 1.001,494 0.87,495 0.75,496 0.94,497 0.674,498 0.975,499 0.984,500 1.205,501 0.573,502 1.187,503 0.698,504 0.969,505 0.932,506 1.067,507 0.589,508 1.065,509 0.854,510 1.021,511 1.016,512 1.061,513 0.891,514 1.073,515 0.897,516 0.898,517 1.006,518 0.972,519 0.764,520 1.005,521 1.044,522 0.919,523 1.151,524 0.968,525 0.983,526 1.062,527 6.5,528 0.182,529 4.222,530 2.188,531 2.307,532 1.153,533 0.787,534 0.462,535 0.25,536 0.249,537 18684,538 52243,539 2.127,540 45.2,542 22,543 1,546 3,547 2,550 1.755,551 2,552 3.74,553 -0.758,555 1,559 100.343,560 1.618,561 3.471,562 4.571,563 5.329,564 5.394,565 5.394,566 3.19,567 4.374,568 5.063,569 3.94,570 2210.46,571 8.846,572 34801.5,577 369.16,578 1.379,579 5.023,580 0.171,581 0.006,582 0.078,583 0.038,584 0.043,585 0.023,586 0.019,587 0.013,588 0.008,589 0.009,590 0.407,591 0.5,592 0.75,593 0.812,594 184.52,595 -0.015,596 -0.204,597 0.066,598 -0.105,599 -0.038,600 -0.024,601 0.036,602 0.087,603 0.021,604 0.07,605 0.123,606 0.054,607 0.017,608 0.217,609 -0.077,610 0.094,611 -0.025,612 0.015,613 -0.019,614 -0.144,615 -0.094,616 -0.183,617 -0.003,618 -0.167,619 0.115,620 -0.111,621 0.028,622 -0.079,623 0.181,624 -0.057,625 0.078,626 -0.063,627 -0.016,628 -0.086,629 0.021,630 -0.075,631 -0.065,632 -0.07,633 -0.019,634 -0.027,635 -0.037,636 -0.016,637 -0.091,638 0.017,639 -0.153,640 -0.006,641 -0.1,642 -0.078,643 3.92,644 5.106,645 0.765,646 36.353,647 1.009,648 1.137,649 2.823,650 7.967,651 0.657,652 3.664,653 4.007,654 4.304,655 4.605,656 4.89,657 4.942,658 5.063,659 5.176,660 5.283,661 5.298,662 8.247,663 0.631,664 466.58,665 3.664,666 5.22,667 6.084,668 6.976,669 7.859,670 8.754,671 9.643,672 10.539,673 11.431,674 12.328,675 6.5,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 62,716 18,717 2,718 38,720 66,721 26,722 15,723 6,724 6,729 1,730 5,731 7,736 2,743 1,745 16,746 10,750 1,755 1,759 1,761 1,762 2,764 28,765 8,767 8,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 1,825 2,827 34,833 8,835 1,837 1,838 3,846 2,847 3.2,850 1,852 1,854 17,855 11.419,856 7.361,857 3.834,858 3.575,859 1.415,860 1.006,861 6.667,862 12.198,863 3.882,864 4.466,865 5.042,866 5.627,867 6.197,868 6.435,869 6.755,870 7.068,871 7.337,872 7.221,873 1,874 58,875 12.762,877 5.608,878 7.858,879 24.277,881 20.463,883 2.358,884 80.167,888 329.591,889 138.632,890 26.158,892 36.145,893 29.92,895 138.632,896 365.736,897 56.079,898 8.825,899 22.885,900 83.925,901 46.635,902 68.585,903 11.771,904 317.82,906 329.591,907 164.791,908 66.065,911 306.049,912 89.607,914 8.115,915 39.736,916 100.154,917 16.786,919 359.511,920 62.303,921 138.632,924 337.706,925 45.882,926 94.008,928 82.851,929 329.591,930 92.224,931 138.632,933 0.585,934 0.341,935 0.194,936 0.116,937 27,938 12,939 0.076,940 5,941 2,942 1.154,943 4.505,944 324.149,945 0.154,946 26,947 164.974,951 23.01,952 9.851,953 4.896,954 2.2,955 92.224,956 15.935,957 4.655,961 4.183,964 560.446,965 47.5,970 12.106,974 -0.431,975 62.574,976 70.489,977 0.272,978 0.583,979 0.768,980 0.895,981 0.906,982 0.906,983 5.143,984 1.871,985 6.075,986 5.548,987 4.691,988 5.153,989 2.822,990 6.907,991 4.591,992 6.334,993 1.605,994 7.644,995 5.126,996 4.29,997 4.977,998 1.803,999 7.854,1000 4.126,1001 7.639,1002 1.547,1003 9.314,1004 4.495,1005 6.301,1006 7.328,1007 3.656,1008 10.976,1009 6.111,1010 8.977,1011 1.418,1012 11.045,1013 3.99,1014 6.711,1015 7.997,1016 3.307,1017 12.773,1018 6.468,1019 10.35,1020 1.207,1021 12.816,1022 3.464,1023 8.197,1024 9.851,1025 4.783,1026 15.421,1027 7.926,1028 11.749,1029 1,1030 14.616,1031 2.797,1032 8.994,1033 10.933,1034 4.855,1035 17.569,1036 8.677,1037 13.168,1038 0.854,1039 16.436,1040 2.275,1041 10.268,1042 12.578,1043 6.039,1044 20.056,1045 9.919,1046 3.196,1047 0.635,1048 18.273,1049 2.035,1050 11.251,1051 13.864,1052 6.37,1053 22.348,1054 10.861,1055 3.139,1056 11.177,1057 20.123,1058 1.566,1059 12.441,1060 15.416,1061 7.368,1062 24.779,1063 12.015,1064 2.67,1065 10.856,1066 21.983,1067 4.474,1068 13.511,1069 16.803,1070 7.856,1071 27.132,1072 13.045,1073 2.597,1074 8.531,1075 23.851,1076 4.081,1077 14.67,1078 18.314,1079 8.742,1080 29.543,1081 14.167,1082 2.363,1083 8,1084 25.726,1085 3.249,1086 15.781,1087 19.749,1088 9.324,1089 31.923,1090 15.238,1091 2.095,1092 6.891,1093 27.606,1094 3.111,1095 16.93,1096 21.243,1097 10.143,1098 34.327,1099 16.349,1100 2.041,1101 5.745,1102 29.49,1103 2.735,1104 18.061,1105 22.703,1106 10.781,1107 36.719,1108 17.439,1109 17383,1110 29321,1111 25.66,1112 40.705,1113 57.502,1114 58.714,1115 58.825,1116 57.219,1117 57.119,1118 70.988,1119 13.217,1120 166.518,1121 54.17,1122 5.551,1123 5.823,1124 6.322,1125 5.257,1126 5.196,1127 7.474,1128 3.661,1129 18.551,1130 5.046,1131 16.327,1132 1.513,1133 1.545,1134 1.548,1135 1.506,1136 1.503,1137 1.868,1138 0.348,1139 4.382,1140 1.426,1141 4.097,1142 4.131,1143 4.055,1144 4.016,1145 8.362,1146 4.022,1147 3.996,1148 4.022,1149 3.952,1150 3.897,1151 7.999,1152 3.905,1153 3.792,1154 3.861,1155 3.685,1156 3.599,1157 7.427,1158 3.61,1159 3.613,1160 3.665,1161 3.537,1162 3.425,1163 4.984,1164 3.436,1165 3.514,1166 3.567,1167 3.411,1168 3.393,1169 4.825,1170 3.397,1171 3.393,1172 3.439,1173 3.317,1174 3.172,1175 4.441,1176 3.162,1177 3.323,1178 3.389,1179 3.174,1180 3.12,1181 4.305,1182 3.151,1183 3.111,1184 3.206,1185 2.945,1186 2.952,1187 4.274,1188 2.938,1189 0.12,1190 0.101,1191 0.179,1192 0.109,1193 0.084,1194 4.551,1195 0.118,1196 3.823,1197 0.054,1198 6.793,1199 0.294,1200 4.148,1201 0.08,1202 3.196,1203 4.474,1204 2.055,1205 11.177,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.359,1212 2.144,1213 1.946,1214 1.923,1215 2.05,1216 2.074,1217 1.25,1218 2.064,1219 1.746,1220 1.677,1221 1.939,1222 1.96,1223 1.164,1224 1.958,1225 1.544,1226 1.494,1227 1.743,1228 1.764,1229 0.993,1230 1.756,1231 1.509,1232 1.46,1233 1.714,1234 1.661,1235 0.825,1236 1.684,1237 1.329,1238 1.261,1239 1.597,1240 1.574,1241 0.825,1242 1.563,1243 1.274,1244 1.226,1245 1.513,1246 1.517,1247 0.795,1248 1.532,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.689,1254 1.429,1255 4.344,1257 5.68,1259 7.22,1261 8.859,1263 10.55,1265 2.008,1267 25.975,1271 4.478,1273 5.674,1275 -2.587,1276 5.97,1280 39.13,1281 100.343,1282 215.212,1283 283.386,1284 330.405,1285 334.405,1286 334.405,1287 63.703,1288 8.623,1289 48.91,1290 48.91,1291 30,1292 12.853,1293 4.248,1294 3.392,1295 50.351,1296 174,1297 154,1298 0.142,1299 234.424,1300 413.82,1301 563.754,1302 82872,1303 3.2,1304 23.656,1305 0.696,1306 0.565,1307 22.079,1308 19.214,1309 16.491,1310 0.434,1311 0.307,1312 11.456,1313 15.707,1314 11.236,1315 9.169,1316 15.635,1317 11.663,1318 15.162,1319 0.281,1320 0.163,1321 13.941,1322 8.825,1323 12.656,1324 0.173,1325 0.09,1326 12.384,1327 6.587,1328 10.964,1329 0.111,1330 0.049,1331 10.717,1332 4.839,1333 9.616,1334 0.073,1335 0.027,1336 8.975,1337 3.56,1338 0.229,1339 104.298,1340 0.197,1341 31.779,1342 0.372,1343 184,1344 626.274,1345 207.394,1346 543.181,1347 729.37,1348 512,1349 219,1350 515.359,1351 241.263,1352 508.992,1353 759.12,1354 481,1355 9.4} {0 CHEMBL511609,1 1.741,2 12,3 1.393,4 1.94,5 101.083,6 8.965,7 0.357,8 3.956,9 4.098,10 3.66,11 3.462,12 5.096,13 3.446,14 4.483,15 4.655,16 4.084,17 3.892,18 5.632,19 3.833,20 4.813,21 5.037,22 4.119,23 4.032,24 5.892,25 3.937,26 4.842,27 5.082,28 4.04,29 3.967,30 5.905,31 3.866,32 4.757,33 5.005,34 3.981,35 3.861,36 5.927,37 3.758,38 4.655,39 4.901,40 3.84,41 3.735,42 5.812,43 3.661,44 4.56,45 4.794,46 3.795,47 3.655,48 5.801,49 3.584,50 4.424,51 4.652,52 3.82,53 3.54,54 5.77,55 3.461,56 0.114,57 0.741,58 8.123,59 3.714,60 16.448,61 4.983,62 0.298,63 1.151,64 16.296,65 7.13,66 39.427,67 9.537,68 0.564,69 1.357,70 35.265,71 9.614,72 75.562,73 12.916,74 0.581,75 1.301,76 35.621,77 9.433,78 85.255,79 12.945,80 0.616,81 1.171,82 33.633,83 9.043,84 101.721,85 12.245,86 0.565,87 1.07,88 29.341,89 7.576,90 74.019,91 10.494,92 0.543,93 0.963,94 30.377,95 7.165,96 71.777,97 9.493,98 0.498,99 0.841,100 25.664,101 6.112,102 82.179,103 8.179,104 31,105 39,106 0.298,107 0.681,108 0.837,109 0.901,110 0.916,111 0.916,112 3.304,113 0.983,114 -1.96,115 -2.02,116 -2.01,117 1,119 36.2,121 3,125 1,127 2,140 3,141 2,142 1,149 1,150 1,156 2,157 1,161 1,162 1,163 1,169 5,174 2,175 3,176 6,177 2,178 7,182 2,184 2,185 1,186 7,189 5,193 4,197 7,199 3,201 1,202 1,203 3,207 2,208 4,211 2,213 1,215 2,218 2,219 2,220 3,222 3,226 3,229 2,230 2,231 2,232 1,233 2,237 2,239 1,240 2,241 2,242 3,243 1,244 2,249 1,251 1,252 2,254 3,256 3,259 1066,260 17.154,261 17.154,262 17.154,263 17.154,264 17.154,265 15.505,266 17.749,267 10.131,268 17.574,269 13.82,270 13.82,271 13.82,272 13.82,273 13.82,274 11.2,275 15.794,276 4.851,277 14.523,278 3.814,279 1.58,280 0.67,281 0.298,282 0.213,283 0.213,284 3.982,288 1,289 1,290 659,291 3.464,294 61.08,295 162.435,298 113.801,302 2.154,303 32.29,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 56.75,315 312,316 4.55,317 3.882,318 6.554,319 4.099,320 3.116,321 4.5,322 2.013,323 10.388,324 3.061,325 4.14,326 3.54,327 6.245,328 3.939,329 2.958,330 3.325,331 1.892,332 9.353,333 2.894,334 3.715,335 3.18,336 5.755,337 3.439,338 2.447,339 3.125,340 1.119,341 7.676,342 2.432,343 3.593,344 2.79,345 5.253,346 3.167,347 2.256,348 2.771,349 0.43,350 6.476,351 2.023,352 3.547,353 2.758,354 4.782,355 3.132,356 2.221,357 2.708,358 0.135,359 5.183,360 2.011,361 3.183,362 2.319,363 4.66,364 2.745,365 1.786,366 2.46,368 5.136,369 1.669,370 2.926,371 2.102,372 4.534,373 2.641,374 1.674,375 2.031,377 4.617,378 1.572,379 2.811,380 1.773,381 4.2,382 2.406,383 1.435,384 1.846,386 3.727,387 1.375,388 2.481,389 1.54,390 3.72,391 2.282,392 1.329,393 1.452,395 3.005,396 1.239,397 2.172,398 1.448,399 3.315,400 1.799,401 0.802,402 1.025,404 1.932,405 0.791,406 2.032,407 0.739,408 3.183,409 1.569,410 0.607,411 0.806,413 1.448,414 0.573,415 1.404,416 0.701,417 2.751,418 1.185,419 0.217,420 0.241,422 0.486,423 0.207,424 1.132,425 0.548,426 2.654,427 0.792,428 -0.162,429 -0.197,431 -0.408,432 -0.12,433 0.881,434 0.359,435 2.378,436 0.458,437 -0.456,438 -0.535,440 -1.188,441 -0.331,442 0.75,443 0.007,444 2.332,445 0.385,446 -0.537,447 -0.614,449 -1.325,450 -0.511,451 12.9,452 0.496,453 0.736,454 0.028,455 29.5,456 1.135,457 12.5,458 0.481,459 17,460 0.654,461 24.16,462 0.929,463 28.5,464 0.606,465 21.292,466 0.819,467 5.676,468 0.218,469 6.76,470 0.26,471 0.217,473 0.349,479 0.895,480 1.277,481 0.524,482 0.807,483 0.713,484 0.836,485 0.554,486 1.177,487 0.579,488 0.963,489 0.47,490 1.03,491 1.023,492 0.971,493 0.868,494 0.948,495 1.014,496 1.013,497 1.263,498 0.987,499 0.689,500 0.91,501 1.284,502 1.002,503 1.086,504 0.923,505 0.7,506 0.849,507 1.111,508 0.924,509 1.143,510 0.919,511 0.593,512 0.801,513 1.23,514 0.87,515 1.281,516 0.929,517 0.866,518 0.908,519 1.398,520 0.914,521 1.231,522 0.917,523 0.9,524 0.944,525 1.299,526 0.962,527 6,528 0.069,529 3.111,530 1.854,531 1.493,532 0.792,533 0.598,534 0.479,535 0.314,536 0.152,537 8189,538 26646,539 2.014,540 44.7,542 7,543 1,545 7,547 6,550 1.687,551 1.857,552 3.509,553 4.422,554 1,555 1,559 81.83,560 1.741,561 3.975,562 4.884,563 5.257,564 5.342,565 5.342,566 3.123,567 4.133,568 4.663,569 3.708,570 1205.09,571 8.066,572 15414.1,574 1,577 261.066,578 1.502,579 4.615,580 0.214,581 0.005,582 0.08,583 0.049,584 0.045,585 0.026,586 0.02,587 0.017,588 0.013,589 0.008,590 0.478,591 0.17,592 0.88,593 1.542,594 129.099,595 -0.179,596 0.024,597 -0.01,598 0.094,599 -0.101,600 0.091,601 0.163,602 0.008,603 0.017,604 -0.035,605 0.122,606 -0.067,607 -0.072,608 0.051,609 -0.054,610 -0.007,611 -0.099,612 -0.049,613 -0.193,614 -0.036,615 -0.013,616 -0.018,617 -0.174,618 -0.047,619 0.001,621 0.021,622 0.052,623 0.028,624 0.039,625 -0.002,626 0.025,627 0.012,628 0.045,629 -0.055,630 0.06,631 -0.028,632 0.01,633 -0.04,634 0.005,635 -0.042,636 0.026,637 0.02,638 0.039,639 0.007,640 -0.008,641 0.097,642 -0.022,643 1.92,644 5.394,645 0.577,646 27.692,647 1.012,648 1.14,649 0.732,650 0.536,651 0.668,652 3.367,653 3.689,654 3.912,655 4.159,656 4.369,657 4.431,658 4.522,659 4.644,660 4.663,661 4.71,662 6.916,663 0.634,664 421.34,665 3.367,666 4.905,667 5.74,668 6.613,669 7.473,670 8.352,671 9.223,672 10.106,673 10.984,674 11.87,675 12.8,676 1,677 1,682 2,683 1,684 1,687 2,688 4,690 1,693 2,695 10,713 1,714 47,716 13,717 1,718 28,719 1,720 49,721 17,722 8,723 3,724 3,730 3,731 4,734 1,740 2,743 5,745 11,746 6,750 3,754 1,755 2,759 3,761 1,764 21,765 7,766 7,767 9,768 1,773 6,777 0.667,778 2,788 1,792 1,793 2,796 1,805 2,812 1,814 1,819 2,822 1,827 26,828 1,833 4,834 3,837 2,846 1,847 4.3,850 2,854 14,855 7.81,856 5.694,857 2.668,858 2.165,859 1.3,860 0.987,861 6.088,862 9.391,863 3.611,864 4.163,865 4.65,866 5.197,867 5.665,868 5.956,869 6.288,870 6.62,871 6.548,872 6.694,873 1,874 38,875 9.644,877 4.166,878 7.965,879 18.085,881 14.965,883 2.465,884 64.083,888 164.795,889 69.452,890 181.341,892 50.29,895 115.406,896 215.085,897 135.387,899 78.628,900 55.487,901 59.699,902 57.271,903 15.814,904 153.024,905 45.954,906 164.795,907 204.839,908 50.29,910 45.954,911 94.169,912 120.916,915 145.096,916 59.742,918 45.954,919 164.795,920 185.677,921 115.406,924 164.795,925 31.975,926 37.476,927 116.772,928 114.859,929 164.795,930 185.677,931 115.406,933 0.583,934 0.323,935 0.167,936 0.093,937 18,938 9,939 0.143,940 7,941 1,942 1.133,943 3.816,944 209.142,945 0.133,946 15,947 122.211,951 19.046,952 8.31,953 4.722,954 2.014,955 168.891,956 7.78,958 3.188,961 1.96,963 135.387,964 465.878,965 36,969 7.09,970 24.682,974 -0.464,975 47.563,976 53.572,977 0.313,978 0.716,979 0.879,980 0.946,981 0.962,982 0.962,983 4.856,984 1.435,985 5.733,986 4.617,987 4.369,988 4.848,989 2.789,990 6.526,991 4.286,992 6.052,993 1.329,994 7.286,995 3.727,996 4.007,997 4.758,998 2.272,999 7.391,1000 3.878,1001 7.355,1002 0.802,1003 8.935,1004 3.005,1005 5.948,1006 6.999,1007 3.743,1008 10.471,1009 5.812,1010 8.689,1011 0.607,1012 10.641,1013 1.932,1014 6.365,1015 7.742,1016 3.818,1017 12.156,1018 6.213,1019 10.055,1020 0.217,1021 12.383,1022 1.448,1023 7.808,1024 9.521,1025 4.914,1026 14.758,1027 7.642,1028 11.443,1029 -0.162,1030 14.15,1031 0.486,1032 8.592,1033 10.666,1034 5.266,1035 16.796,1036 8.42,1037 12.851,1038 -0.456,1039 15.937,1040 -0.408,1041 9.837,1042 12.275,1043 6.177,1044 19.222,1045 9.648,1046 3.116,1047 -0.537,1048 17.738,1049 -1.188,1050 10.798,1051 13.615,1052 6.675,1053 21.415,1054 10.602,1055 2.958,1056 10.388,1057 19.551,1058 -1.325,1059 11.962,1060 15.158,1061 7.485,1062 23.775,1063 11.749,1064 2.447,1065 9.353,1066 21.373,1067 4.5,1068 13.006,1069 16.589,1070 8.063,1071 26.037,1072 12.782,1073 2.256,1074 7.676,1075 23.202,1076 3.325,1077 14.139,1078 18.107,1079 8.817,1080 28.372,1081 13.898,1082 2.221,1083 6.476,1084 25.038,1085 3.125,1086 15.223,1087 19.578,1088 9.441,1089 30.667,1090 14.968,1091 1.786,1092 5.183,1093 26.878,1094 2.771,1095 16.346,1096 21.086,1097 10.164,1098 32.994,1099 16.073,1100 1.674,1101 5.136,1102 28.722,1103 2.708,1104 17.449,1105 22.575,1106 10.814,1107 35.305,1108 17.16,1109 8090,1110 14667,1111 18.205,1112 31.387,1113 42.251,1114 43.478,1115 43.117,1116 41.919,1117 41.693,1118 52.582,1119 11.178,1120 118.855,1121 39.693,1122 5.55,1123 5.882,1124 6.238,1125 5.168,1126 5.116,1127 7.5,1128 3.526,1129 17.236,1130 5.061,1131 15.018,1132 1.509,1133 1.553,1134 1.54,1135 1.497,1136 1.489,1137 1.878,1138 0.399,1139 4.245,1140 1.418,1141 4.133,1142 4.165,1143 6.88,1144 4.06,1145 7.436,1146 4.059,1147 3.874,1148 3.923,1149 4.059,1150 3.691,1151 7.421,1152 3.707,1153 3.656,1154 3.736,1155 3.798,1156 3.483,1157 5.885,1158 3.474,1159 3.472,1160 3.533,1161 3.542,1162 3.334,1163 4.964,1164 3.332,1165 3.367,1166 3.433,1167 3.321,1168 3.151,1169 4.796,1170 3.171,1171 3.173,1172 3.239,1173 3.175,1174 2.94,1175 4.333,1176 2.958,1177 3.045,1178 3.084,1179 3.078,1180 2.828,1181 4.256,1182 2.825,1183 2.922,1184 3.002,1185 2.942,1186 2.651,1187 4.072,1188 2.696,1189 0.163,1190 0.139,1191 0.234,1192 0.146,1193 0.111,1194 4.55,1195 0.161,1196 3.882,1197 0.072,1198 6.554,1199 0.371,1200 4.099,1201 0.109,1202 3.116,1203 4.5,1204 2.013,1205 10.388,1206 3.061,1207 1.941,1208 1.922,1209 2.014,1210 2.039,1211 1.311,1212 2.033,1213 1.805,1214 1.758,1215 1.966,1216 1.982,1217 1.232,1218 1.982,1219 1.647,1220 1.588,1221 1.834,1222 1.862,1223 1.052,1224 1.858,1225 1.479,1226 1.414,1227 1.65,1228 1.731,1229 0.819,1230 1.716,1231 1.302,1232 1.221,1233 1.507,1234 1.589,1235 0.573,1236 1.58,1237 1.121,1238 1.051,1239 1.374,1240 1.376,1241 0.338,1242 1.387,1243 0.964,1244 0.935,1245 1.183,1246 1.241,1247 0.228,1248 1.183,1249 0.814,1250 0.76,1251 1.03,1252 1.162,1253 0.097,1254 1.158,1255 4.043,1257 5.361,1258 2.398,1259 6.858,1260 4.727,1261 8.445,1262 6.823,1263 10.086,1264 3.434,1269 5.209,1271 2.034,1272 8.292,1275 -1.136,1280 29.798,1281 81.83,1282 186.827,1283 229.556,1284 247.066,1285 251.066,1286 251.066,1287 59.59,1288 7.225,1289 135.89,1290 135.89,1291 17,1292 12.403,1293 3.807,1294 3.17,1295 44.6,1296 106,1297 116,1298 0.206,1299 191.84,1300 328.16,1301 459.85,1302 13049,1303 2.1,1304 18.681,1305 0.719,1306 0.602,1307 19.681,1308 15.65,1309 12.436,1310 0.444,1311 0.328,1312 8.308,1313 11.386,1314 8.142,1315 6.695,1316 13.013,1317 9.173,1318 11.54,1319 0.296,1320 0.185,1321 12.356,1322 7.229,1323 8.988,1324 0.183,1325 0.1,1326 9.512,1327 4.898,1328 7.293,1329 0.116,1330 0.055,1331 7.762,1332 3.46,1333 5.912,1334 0.076,1335 0.031,1336 6.397,1337 2.43,1338 0.328,1339 86.442,1340 0.234,1341 25.5,1342 0.548,1343 134,1344 399.102,1345 214.069,1346 425.243,1347 555.66,1348 392,1349 155,1350 371.584,1351 196.409,1352 387.404,1353 561.49,1354 365,1355 5} {0 CHEMBL511815,1 1.447,2 13.156,3 3.91,4 15.287,5 126.868,6 6.945,7 0.472,8 4.219,9 4.345,10 3.746,11 3.753,12 5.217,13 3.723,14 4.804,15 4.998,16 4.128,17 4.164,18 5.733,19 4.121,20 5.068,21 5.276,22 4.253,23 4.375,24 6.03,25 4.302,26 5.191,27 5.414,28 4.143,29 4.443,30 6.044,31 4.316,32 5.278,33 5.549,34 4.028,35 4.425,36 6.026,37 4.26,38 5.18,39 5.459,40 3.941,41 4.314,42 5.925,43 4.149,44 5.075,45 5.342,46 3.87,47 4.194,48 5.865,49 4.049,50 4.992,51 5.253,52 3.737,53 4.113,54 5.769,55 3.958,56 0.033,57 0.917,58 13.847,59 5.746,60 8.246,61 7.955,62 0.275,63 1.541,64 26.943,65 9.177,66 22.081,67 13.311,68 0.503,69 1.939,70 35.697,71 12.261,72 46.008,73 17.662,74 0.339,75 2.074,76 40.427,77 15.546,78 42.17,79 21.877,80 0.442,81 2.147,82 45.577,83 16.862,84 45.52,85 24.495,86 0.317,87 1.973,88 41.156,89 15.147,90 40.232,91 22.346,92 0.377,93 1.766,94 37.38,95 13.007,96 43.033,97 18.98,98 0.486,99 1.612,100 34.566,101 11.805,102 40.983,103 17.199,104 17,105 52,106 0.232,107 0.551,108 0.773,109 0.876,110 0.887,111 0.887,112 3.502,113 0.948,114 -3.85,115 -3.81,116 -3.62,119 41.9,120 2,121 1,124 1,125 5,127 1,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 10,178 8,181 3,182 11,189 6,192 1,193 8,199 7,202 1,203 6,211 5,214 1,215 7,222 4,225 1,226 5,233 5,236 2,237 2,244 5,248 1,249 3,256 7,259 1656,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.578,266 27.679,267 12.502,268 22.186,269 17.726,270 17.726,271 17.726,272 17.726,273 17.726,274 14.378,275 37.247,276 5.879,277 18.471,278 4.507,279 2.518,280 1.133,281 0.488,282 0.424,283 0.424,284 4.212,288 1,289 1,290 936,291 2.828,295 429.743,299 287.278,302 2.021,303 22.414,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 421,316 4.553,317 3.8,318 6.743,319 4.128,320 3.172,321 4.474,322 2.055,323 10.93,324 3.052,325 4.465,326 3.32,327 6.701,328 4.116,329 3.151,330 4.077,331 0.933,332 10.882,333 3.023,334 3.93,335 3.184,336 6.078,337 3.767,338 2.825,339 3.257,340 0.8,341 8.782,342 2.656,343 3.825,344 3.022,345 5.93,346 3.529,347 2.551,348 3.077,349 0.8,350 8.099,351 2.488,352 3.689,353 2.676,354 5.728,355 3.384,356 2.439,357 2.836,358 0.51,359 7.686,360 2.303,361 3.367,362 2.45,363 5.05,364 3.011,365 2.046,366 2.641,368 5.76,369 1.972,370 3.242,371 2.257,372 4.971,373 2.886,374 1.889,375 2.439,377 5.553,378 1.875,379 3.03,380 2.107,381 4.583,382 2.579,383 1.618,384 2.254,386 4.555,387 1.561,388 2.915,389 1.672,390 4.364,391 2.514,392 1.569,393 2.075,395 4.088,396 1.471,397 2.776,398 1.601,399 4.191,400 2.438,401 1.467,402 1.845,404 3.763,405 1.42,406 2.512,407 1.471,408 4.014,409 2.382,410 1.404,411 1.511,413 3.416,414 1.369,415 2.357,416 1.425,417 3.652,418 2.16,419 1.209,420 1.343,422 2.757,423 1.139,424 2.244,425 1.232,426 3.377,427 1.836,428 0.861,429 1.155,431 2.042,432 0.838,433 1.819,434 0.934,435 3.272,436 1.632,437 0.661,438 0.744,440 1.608,441 0.64,442 1.619,443 0.791,444 2.819,445 1.231,446 0.26,447 0.318,449 0.584,450 0.247,451 15.267,452 0.477,453 0.836,454 0.026,455 40.5,456 1.266,457 19,458 0.594,459 21.5,460 0.672,461 30.554,462 0.955,463 34.533,464 0.557,465 30.038,466 0.939,467 7.856,468 0.246,469 7.652,470 0.239,471 0.12,473 0.373,479 0.785,480 1.48,481 0.824,482 1.186,483 0.606,484 1.035,485 1.135,486 1.106,487 0.884,488 0.879,489 0.636,490 0.842,491 1.09,492 0.988,493 1.043,494 0.951,495 0.904,496 0.97,497 1.015,498 1.146,499 1.144,500 1.195,501 0.932,502 1.193,503 0.819,504 0.972,505 1.004,506 1.011,507 0.654,508 1.031,509 0.626,510 1.02,511 0.943,512 1.046,513 0.642,514 1.032,515 1.046,516 1.01,517 1.04,518 1.012,519 0.943,520 1.024,521 1.171,522 0.954,523 1.156,524 0.985,525 0.91,526 1.059,527 6,528 0.14,529 4.667,530 2.375,531 2.138,532 1.118,533 0.769,534 0.472,535 0.352,536 0.245,537 15626,538 35669,539 2.135,540 48.4,542 22,546 3,547 5,550 1.741,551 2,552 3.635,553 -0.805,555 1,559 89.742,560 1.447,561 3.436,562 4.821,563 5.466,564 5.531,565 5.531,566 3.046,567 4.75,568 4.975,569 3.826,570 1897.62,571 8.676,572 28007.5,574 1,577 369.16,578 1.406,579 4.933,580 0.167,581 0.006,582 0.09,583 0.042,584 0.044,585 0.026,586 0.02,587 0.013,588 0.011,589 0.009,590 0.427,591 0.5,592 0.88,593 0.531,594 169.278,595 0.024,596 -0.28,597 0.087,598 -0.107,599 -0.017,600 -0.021,601 -0.032,602 0.037,603 0.095,604 0.102,605 0.041,606 0.115,607 0.033,608 0.122,609 -0.06,610 0.024,611 0.068,612 -0.014,613 -0.086,614 -0.138,615 -0.184,616 -0.177,617 -0.058,618 -0.193,619 -0.011,620 -0.033,621 -0.033,622 -0.018,623 -0.009,624 -0.029,625 0.043,626 -0.069,627 0.02,628 -0.061,629 0.002,630 -0.029,631 -0.06,632 -0.047,633 -0.048,634 -0.046,635 -0.085,636 -0.047,637 -0.072,638 0.015,639 -0.156,640 -0.024,641 -0.105,642 -0.091,643 1.668,644 4.947,645 0.813,646 31.625,647 0.993,648 1.126,649 2.621,650 6.871,651 0.659,652 3.611,653 3.97,654 4.29,655 4.564,656 4.836,657 4.905,658 5.024,659 5.13,660 5.252,661 5.278,662 7.628,663 0.619,664 430.6,665 3.611,666 5.176,667 6.052,668 6.946,669 7.835,670 8.731,671 9.624,672 10.521,673 11.414,674 12.312,675 6.5,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 62,716 18,717 2,718 36,720 66,721 26,722 15,723 6,724 6,730 5,731 7,736 2,740 1,743 2,745 16,746 10,750 1,755 1,759 1,761 1,764 30,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 3,827 32,833 6,835 1,837 1,838 3,847 3.2,850 1,852 1,854 16,855 12.133,856 6.889,857 3.889,858 3.534,859 1.419,860 0.998,861 5.789,862 11.966,863 3.839,864 4.443,865 5.035,866 5.605,867 6.17,868 6.415,869 6.736,870 7.045,871 7.33,872 7.236,873 0.889,874 57,875 11.875,877 5.074,878 7.536,879 23.351,881 19.754,883 2.036,884 65.167,887 1,888 353.133,889 143.527,890 26.158,892 36.145,895 143.527,896 389.278,897 26.158,898 26.047,899 18.674,900 75.81,901 46.635,902 38.665,904 353.133,906 353.133,907 169.686,908 36.145,911 294.278,912 95,915 44.35,916 108.551,917 16.786,919 353.133,920 62.303,921 143.527,924 353.133,925 41.671,926 111.23,928 52.93,929 353.133,930 62.303,931 143.527,933 0.592,934 0.359,935 0.194,936 0.109,937 27,938 12,939 0.061,940 4,941 2,942 1.154,943 4.317,944 303.18,945 0.154,946 26,947 158,951 21.234,952 8.723,953 4.107,954 2.292,955 62.303,956 16.813,957 4.7,961 5.234,964 558.964,965 45.5,970 11.947,974 -0.002,975 61.549,976 69.81,977 0.243,978 0.577,979 0.81,980 0.918,981 0.929,982 0.929,983 5.107,984 1.618,985 6.052,986 5.553,987 4.654,988 5.13,989 2.506,990 6.899,991 4.573,992 6.309,993 1.569,994 7.637,995 4.555,996 4.29,997 4.977,998 1.803,999 7.865,1000 4.165,1001 7.622,1002 1.467,1003 9.321,1004 4.088,1005 6.286,1006 7.323,1007 3.344,1008 10.986,1009 6.12,1010 8.969,1011 1.404,1012 11.064,1013 3.763,1014 6.735,1015 8.004,1016 3.307,1017 12.772,1018 6.52,1019 10.35,1020 1.209,1021 12.844,1022 3.416,1023 8.206,1024 9.852,1025 4.562,1026 15.416,1027 7.954,1028 11.753,1029 0.861,1030 14.649,1031 2.757,1032 9.028,1033 10.937,1034 4.855,1035 17.539,1036 8.728,1037 13.176,1038 0.661,1039 16.473,1040 2.042,1041 10.293,1042 12.579,1043 5.901,1044 20.017,1045 9.956,1046 3.172,1047 0.26,1048 18.31,1049 1.608,1050 11.287,1051 13.865,1052 6.37,1053 22.285,1054 10.904,1055 3.151,1056 10.93,1057 20.157,1058 0.584,1059 12.47,1060 15.416,1061 7.287,1062 24.703,1063 12.05,1064 2.825,1065 10.882,1066 22.014,1067 4.474,1068 13.542,1069 16.802,1070 7.856,1071 27.035,1072 13.08,1073 2.551,1074 8.782,1075 23.877,1076 4.077,1077 14.695,1078 18.312,1079 8.696,1080 29.432,1081 14.195,1082 2.439,1083 8.099,1084 25.745,1085 3.257,1086 15.804,1087 19.747,1088 9.324,1089 31.793,1090 15.262,1091 2.046,1092 7.686,1093 27.619,1094 3.077,1095 16.947,1096 21.241,1097 10.117,1098 34.183,1099 16.367,1100 1.889,1101 5.76,1102 29.496,1103 2.836,1104 18.073,1105 22.7,1106 10.781,1107 36.558,1108 17.454,1109 14426,1110 21942,1111 24.274,1112 40.83,1113 54.772,1114 55.923,1115 56.422,1116 54.271,1117 54.242,1118 68.094,1119 10.197,1120 161.009,1121 52.106,1122 5.553,1123 5.8,1124 6.272,1125 5.236,1126 5.172,1127 7.474,1128 3.661,1129 18.279,1130 5.052,1131 15.281,1132 1.521,1133 1.553,1134 1.567,1135 1.508,1136 1.507,1137 1.891,1138 0.283,1139 4.472,1140 1.447,1141 4.099,1142 4.133,1143 4.056,1144 4.017,1145 7.427,1146 4.023,1147 3.991,1148 4.017,1149 3.945,1150 3.895,1151 4.984,1152 3.902,1153 3.817,1154 3.882,1155 3.715,1156 3.64,1157 4.829,1158 3.649,1159 3.563,1160 3.611,1161 3.475,1162 3.421,1163 4.451,1164 3.416,1165 3.513,1166 3.563,1167 3.411,1168 3.351,1169 4.32,1170 3.371,1171 3.327,1172 3.395,1173 3.177,1174 3.175,1175 4.287,1176 3.165,1177 3.271,1178 3.36,1179 3.06,1180 3.102,1181 4.03,1182 3.08,1183 3.14,1184 3.227,1185 2.961,1186 2.953,1187 3.965,1188 2.94,1189 0.126,1190 0.106,1191 0.187,1192 0.115,1193 0.088,1194 4.553,1195 0.124,1196 3.8,1197 0.057,1198 6.743,1199 0.304,1200 4.128,1201 0.085,1202 3.172,1203 4.474,1204 2.055,1205 10.93,1206 3.052,1207 2.048,1208 2.022,1209 2.13,1210 2.149,1211 1.378,1212 2.146,1213 1.945,1214 1.921,1215 2.053,1216 2.071,1217 1.246,1218 2.064,1219 1.778,1220 1.713,1221 1.964,1222 1.975,1223 1.173,1224 1.975,1225 1.531,1226 1.482,1227 1.741,1228 1.723,1229 0.932,1230 1.727,1231 1.485,1232 1.437,1233 1.715,1234 1.66,1235 0.899,1236 1.684,1237 1.333,1238 1.268,1239 1.642,1240 1.532,1241 0.807,1242 1.574,1243 1.296,1244 1.214,1245 1.587,1246 1.509,1247 0.732,1248 1.54,1249 1.119,1250 1.043,1251 1.479,1252 1.415,1253 0.596,1254 1.441,1255 4.29,1257 5.638,1259 7.195,1261 8.848,1263 10.549,1265 6.166,1271 5.015,1273 5.804,1275 0.446,1276 6.75,1280 38.364,1281 89.742,1282 213.053,1283 298.896,1284 338.896,1285 342.896,1286 342.896,1287 46.735,1288 8.433,1289 48.91,1290 48.91,1291 30,1292 12.836,1293 4.248,1294 3.392,1295 45.979,1296 150,1297 134,1298 0.15,1299 232.027,1300 401.68,1301 557.907,1302 64263,1304 22.242,1305 0.695,1306 0.595,1307 22.242,1308 19.044,1309 15.508,1310 0.431,1311 0.316,1312 11.226,1313 14.95,1314 10.857,1315 8.975,1316 15.508,1317 11.377,1318 14.257,1319 0.274,1320 0.171,1321 14.257,1322 8.884,1323 12.663,1324 0.176,1325 0.094,1326 12.663,1327 6.773,1328 10.574,1329 0.111,1330 0.051,1331 10.574,1332 4.891,1333 8.923,1334 0.071,1335 0.028,1336 8.923,1337 3.528,1338 0.24,1339 96.714,1340 0.203,1341 30.073,1342 0.398,1343 176,1344 446.052,1345 191.055,1346 431.063,1347 605.37,1348 408,1349 212,1350 458.359,1351 229.247,1352 464.488,1353 686.03,1354 438,1355 9.4} {0 CHEMBL512724,1 1.481,2 13.867,3 3.327,4 11.066,5 117.553,6 7.188,7 0.5,8 4.131,9 4.253,10 3.685,11 3.673,12 5.148,13 3.651,14 4.703,15 4.885,16 4.054,17 4.079,18 5.681,19 4.04,20 4.969,21 5.18,22 4.112,23 4.257,24 5.94,25 4.178,26 5.02,27 5.257,28 3.961,29 4.268,30 5.834,31 4.132,32 5.045,33 5.314,34 3.862,35 4.208,36 5.817,37 4.057,38 4.934,39 5.194,40 3.728,41 4.093,42 5.72,43 3.938,44 4.845,45 5.128,46 3.6,47 3.959,48 5.563,49 3.796,50 4.712,51 4.98,52 3.507,53 3.813,54 5.473,55 3.675,56 0.025,57 0.837,58 12.004,59 5.084,60 6.466,61 6.869,62 0.231,63 1.4,64 23.426,65 8.295,66 22.042,67 11.65,68 0.5,69 1.743,70 31.935,71 11,72 47.061,73 15.551,74 0.226,75 1.756,76 33.659,77 13.326,78 29.978,79 18.901,80 0.288,81 1.727,82 36.002,83 13.417,84 37.788,85 19.4,86 0.325,87 1.576,88 31.989,89 11.526,90 35.681,91 16.784,92 0.277,93 1.433,94 29.715,95 10.579,96 27.664,97 15.645,98 0.279,99 1.206,100 26.292,101 9.049,102 28.688,103 12.995,104 5,105 48,106 0.242,107 0.566,108 0.739,109 0.853,110 0.859,111 0.859,112 3.44,113 0.931,114 -3.44,115 -3.42,116 -3.27,119 42.9,120 1,121 1,125 6,140 8,141 2,142 3,144 2,156 1,169 8,172 8,174 1,176 1,178 9,181 2,182 7,184 1,186 2,189 6,192 1,193 8,197 1,199 5,203 6,208 1,211 2,214 1,215 5,222 1,225 1,226 5,229 1,233 2,237 1,244 4,248 2,249 2,256 8,259 1416,260 20.618,261 20.618,262 20.618,263 20.618,264 20.618,265 18.452,266 26.956,267 12.083,268 21.045,269 16.813,270 16.813,271 16.813,272 16.813,273 16.813,274 13.451,275 35.698,276 5.784,277 17.501,278 4.326,279 2.341,280 1.285,281 0.585,282 0.549,283 0.549,284 4.156,288 1,289 1,290 934,291 2.646,295 415.536,299 277.579,302 2.093,303 20.652,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 416,316 4.551,317 3.653,318 6.695,319 4.108,320 3.139,321 4.474,322 2.03,323 10.856,324 3.046,325 4.301,326 3.28,327 6.211,328 3.92,329 2.96,330 3.929,331 0.892,332 9.336,333 2.841,334 3.857,335 3.052,336 5.807,337 3.589,338 2.652,339 3.249,340 0.8,341 8.003,342 2.482,343 3.704,344 2.882,345 5.386,346 3.409,347 2.44,348 2.982,349 0.8,350 7.062,351 2.371,352 3.526,353 2.667,354 5.222,355 3.265,356 2.3,357 2.734,358 0.141,359 6.617,360 2.201,361 3.392,362 2.463,363 4.961,364 3.036,365 2.052,366 2.602,368 5.738,369 2.019,370 3.301,371 2.247,372 4.913,373 2.963,374 1.98,375 2.461,377 5.635,378 1.925,379 3.028,380 2.055,381 4.558,382 2.574,383 1.618,384 2.243,386 4.492,387 1.559,388 2.922,389 1.651,390 4.41,391 2.542,392 1.597,393 2.059,395 4.371,396 1.488,397 2.774,398 1.476,399 4.036,400 2.398,401 1.418,402 1.841,404 3.466,405 1.385,406 2.26,407 1.251,408 3.414,409 1.967,410 1,411 1.175,413 2.275,414 0.965,415 2,416 1.146,417 3.379,418 1.863,419 0.885,420 1,422 2.076,423 0.863,424 1.991,425 0.984,426 3.305,427 1.723,428 0.769,429 0.916,431 1.836,432 0.729,433 1.784,434 0.857,435 3.207,436 1.57,437 0.624,438 0.703,440 1.512,441 0.586,442 1.289,443 0.632,444 2.669,445 0.942,446 -0.038,447 -0.045,449 -0.091,450 -0.037,451 14.267,452 0.476,453 0.691,454 0.023,455 39.25,456 1.308,457 19,458 0.633,459 20.25,460 0.675,461 25.227,462 0.841,463 31.933,464 0.57,465 27.561,466 0.919,467 7.696,468 0.257,469 6.957,470 0.232,471 0.058,473 0.336,479 0.805,480 1.396,481 0.795,482 1.12,483 0.588,484 0.978,485 1.09,486 1.151,487 0.916,488 0.945,489 0.608,490 0.902,491 1.091,492 0.956,493 1.094,494 0.944,495 0.975,496 0.995,497 0.653,498 1.112,499 1.027,500 1.177,501 0.513,502 1.157,503 0.731,504 0.979,505 0.939,506 1.001,507 0.628,508 1,509 0.801,510 1.074,511 1.096,512 1.098,513 0.802,514 1.128,515 0.609,516 0.952,517 0.973,518 1.027,519 0.469,520 1.037,521 1.138,522 0.953,523 1.014,524 0.945,525 0.912,526 0.964,527 6,528 0.153,529 3.333,530 1.5,531 1.916,532 0.66,533 0.541,534 0.406,535 0.172,536 0.164,537 14400,538 34471,539 2.186,540 46.4,542 20,545 1,546 3,547 2,550 1.72,551 2.093,552 3.714,553 -0.382,555 1,559 82.961,560 1.481,561 3.466,562 4.522,563 5.222,564 5.258,565 5.258,566 3.191,567 4.415,568 4.88,569 3.889,570 1691.67,571 8.466,572 24535,574 1,576 1,577 325.212,578 1.231,579 4.859,580 0.176,581 0.007,582 0.069,583 0.031,584 0.047,585 0.018,586 0.017,587 0.015,588 0.007,589 0.007,590 0.394,591 0.5,592 0.88,593 0.424,594 157.366,595 -0.008,596 -0.217,597 0.078,598 -0.073,599 -0.012,600 -0.001,601 -0.045,602 -0.023,603 0.032,604 0.031,605 0.063,606 0.042,607 -0.004,608 0.124,609 -0.124,610 0.018,611 0.004,612 -0.049,613 0.013,614 -0.136,615 -0.088,616 -0.159,617 0.031,618 -0.142,619 -0.008,620 -0.049,621 0.033,622 -0.002,623 0.024,624 0.016,625 -0.024,626 -0.107,627 -0.125,628 -0.117,629 -0.088,630 -0.133,631 0.061,632 0.003,633 0.005,634 -0.058,635 0.004,636 -0.036,637 -0.098,638 -0.027,639 -0.003,640 0.024,641 -0.074,642 0.022,643 1.759,644 4.409,645 0.867,646 31.013,647 0.996,648 1.125,649 2.209,650 4.881,651 0.666,652 3.555,653 3.892,654 4.174,655 4.454,656 4.745,657 4.771,658 4.89,659 5.011,660 5.106,661 5.106,662 7.892,663 0.631,664 402.54,665 3.555,666 5.106,667 5.964,668 6.845,669 7.716,670 8.6,671 9.476,672 10.36,673 11.239,674 12.123,675 7.1,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 56,716 18,717 2,718 34,720 60,721 24,722 15,723 6,724 6,730 5,731 7,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,764 26,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 30,833 7,834 1,835 1,838 2,847 3.6,850 1,852 1,854 14.333,855 10.35,856 6.444,857 3.49,858 3.482,859 1.419,860 1.022,861 5.32,862 11.788,863 3.795,864 4.394,865 4.965,866 5.552,867 6.138,868 6.362,869 6.684,870 6.994,871 7.263,872 7.122,873 1,874 49,875 11.114,877 4.763,878 7.561,879 21.813,881 18.446,883 2.061,884 61.833,886 1,887 1,888 294.278,889 128.412,890 41.045,892 36.145,895 128.412,896 330.422,897 41.045,898 8.825,899 35.666,900 75.81,901 46.635,902 38.665,904 294.278,906 294.278,907 169.457,908 36.145,911 270.735,912 59.687,915 52.517,916 100.154,917 16.786,919 294.278,920 77.19,921 128.412,924 294.278,925 43.776,926 90.884,927 18.011,928 52.93,929 294.278,930 77.19,931 128.412,933 0.586,934 0.34,935 0.187,936 0.111,937 25,938 10,939 0.067,940 4,941 2,942 1.154,943 4.324,944 269.724,945 0.154,946 26,947 141.207,951 19.347,952 8.249,953 4.167,954 2.304,955 77.19,956 16.769,957 4.673,961 5.121,963 18.011,964 499.879,965 43.5,970 11.409,974 -0.092,975 55.781,976 62.979,977 0.255,978 0.597,979 0.779,980 0.899,981 0.905,982 0.905,983 5.045,984 1.618,985 5.943,986 5.635,987 4.575,988 5.081,989 2.452,990 6.742,991 4.498,992 6.237,993 1.597,994 7.489,995 4.492,996 4.111,997 4.89,998 1.738,999 7.591,1000 4.001,1001 7.54,1002 1.418,1003 9.131,1004 4.371,1005 6.159,1006 7.271,1007 3.301,1008 10.686,1009 6.005,1010 8.873,1011 1,1012 10.83,1013 3.466,1014 6.494,1015 7.909,1016 3.226,1017 12.378,1018 6.304,1019 10.239,1020 0.885,1021 12.567,1022 2.275,1023 8.005,1024 9.784,1025 4.5,1026 14.991,1027 7.776,1028 11.628,1029 0.769,1030 14.331,1031 2.076,1032 8.731,1033 10.838,1034 4.754,1035 17.056,1036 8.467,1037 13.035,1038 0.624,1039 16.116,1040 1.836,1041 10.011,1042 12.496,1043 5.815,1044 19.502,1045 9.712,1046 3.139,1047 -0.038,1048 17.918,1049 1.512,1050 10.936,1051 13.766,1052 6.249,1053 21.735,1054 10.603,1055 2.96,1056 10.856,1057 19.733,1058 -0.091,1059 12.116,1060 15.325,1061 7.175,1062 24.125,1063 11.752,1064 2.652,1065 9.336,1066 21.559,1067 4.474,1068 13.141,1069 16.703,1070 7.714,1071 26.433,1072 12.744,1073 2.44,1074 8.003,1075 23.395,1076 3.929,1077 14.28,1078 18.219,1079 8.557,1080 28.806,1081 13.853,1082 2.3,1083 7.062,1084 25.239,1085 3.249,1086 15.354,1087 19.652,1088 9.16,1089 31.148,1090 14.896,1091 2.052,1092 6.617,1093 27.09,1094 2.982,1095 16.48,1096 21.15,1097 9.952,1098 33.519,1099 15.992,1100 1.98,1101 5.738,1102 28.947,1103 2.734,1104 17.579,1105 22.61,1106 10.594,1107 35.878,1108 17.061,1109 13120,1110 20462,1111 23.463,1112 37.307,1113 50.976,1114 52.33,1115 51.95,1116 50.844,1117 50.87,1118 64.736,1119 9.327,1120 146.546,1121 48.924,1122 5.551,1123 5.653,1124 6.215,1125 5.216,1126 5.139,1127 7.474,1128 3.634,1129 18.031,1130 5.046,1131 10.824,1132 1.499,1133 1.539,1134 1.528,1135 1.495,1136 1.496,1137 1.904,1138 0.274,1139 4.31,1140 1.439,1141 4.095,1142 4.129,1143 4.053,1144 4.015,1145 7.429,1146 4.021,1147 3.979,1148 4.005,1149 3.928,1150 3.886,1151 4.984,1152 3.891,1153 3.79,1154 3.858,1155 3.684,1156 3.599,1157 4.844,1158 3.61,1159 3.558,1160 3.604,1161 3.47,1162 3.419,1163 4.443,1164 3.415,1165 3.499,1166 3.545,1167 3.397,1168 3.334,1169 4.323,1170 3.352,1171 3.278,1172 3.343,1173 3.14,1174 3.105,1175 4.247,1176 3.105,1177 3.111,1178 3.206,1179 2.932,1180 2.948,1181 3.976,1182 2.933,1183 3.083,1184 3.159,1185 2.866,1186 2.941,1187 3.893,1188 2.91,1189 0.134,1190 0.107,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.653,1197 0.06,1198 6.695,1199 0.319,1200 4.108,1201 0.09,1202 3.139,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.937,1214 1.913,1215 2.048,1216 2.059,1217 1.24,1218 2.055,1219 1.744,1220 1.676,1221 1.935,1222 1.957,1223 1.15,1224 1.954,1225 1.529,1226 1.481,1227 1.736,1228 1.716,1229 0.906,1230 1.717,1231 1.463,1232 1.42,1233 1.676,1234 1.647,1235 0.825,1236 1.666,1237 1.26,1238 1.199,1239 1.514,1240 1.471,1241 0.805,1242 1.49,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.692,1248 1.429,1249 1.11,1250 1.038,1251 1.424,1252 1.303,1253 0.48,1254 1.349,1255 4.234,1257 5.565,1259 7.098,1261 8.723,1263 10.395,1265 2.037,1271 6.234,1272 2.844,1273 5.536,1276 4.997,1280 35.31,1281 82.961,1282 194.115,1283 253.238,1284 292.457,1285 294.457,1286 294.457,1287 39.429,1288 8.306,1289 57.7,1290 57.7,1291 30,1292 12.657,1293 4.248,1294 3.392,1295 42.025,1296 146,1297 136,1298 0.14,1299 212.843,1300 367.08,1301 511.096,1302 56502,1304 20.501,1305 0.683,1306 0.574,1307 20.501,1308 17.227,1309 14.653,1310 0.431,1311 0.31,1312 10.409,1313 14.123,1314 10.161,1315 8.349,1316 14.653,1317 10.549,1318 13.413,1319 0.279,1320 0.168,1321 13.413,1322 8.043,1323 11.43,1324 0.179,1325 0.093,1326 11.43,1327 5.957,1328 9.693,1329 0.114,1330 0.05,1331 9.693,1332 4.291,1333 8.512,1334 0.075,1335 0.028,1336 8.512,1337 3.21,1338 0.228,1339 91.407,1340 0.206,1341 28.922,1342 0.363,1343 164,1344 428.739,1345 178.361,1346 414.364,1347 578.19,1348 392,1349 194,1350 433.091,1351 209.416,1352 438.172,1353 644.04,1354 414,1355 9.1} {0 CHEMBL513715,1 1.481,2 13.167,3 3.327,4 11.066,5 117.553,6 7.188,7 0.5,8 4.131,9 4.253,10 3.685,11 3.673,12 5.148,13 3.651,14 4.703,15 4.885,16 4.054,17 4.079,18 5.678,19 4.04,20 4.97,21 5.18,22 4.131,23 4.257,24 5.939,25 4.183,26 5.027,27 5.256,28 4.002,29 4.28,30 5.855,31 4.155,32 5.068,33 5.328,34 3.901,35 4.248,36 5.852,37 4.098,38 5.008,39 5.284,40 3.791,41 4.131,42 5.777,43 3.974,44 4.881,45 5.151,46 3.662,47 3.971,48 5.67,49 3.833,50 4.716,51 4.964,52 3.528,53 3.876,54 5.515,55 3.728,56 0.025,57 0.837,58 12.004,59 5.084,60 6.577,61 6.869,62 0.231,63 1.4,64 23.426,65 8.295,66 21.755,67 11.65,68 0.486,69 1.743,70 31.91,71 10.996,72 46.177,73 15.55,74 0.265,75 1.765,76 33.946,77 13.267,78 30.94,79 18.59,80 0.343,81 1.794,82 36.521,83 13.573,84 37.264,85 19.615,86 0.28,87 1.681,88 34.809,89 12.526,90 35.776,91 18.407,92 0.388,93 1.453,94 31.261,95 10.333,96 39.207,97 14.951,98 0.356,99 1.248,100 25.755,101 9.202,102 30.232,103 13.157,104 5,105 48,106 0.242,107 0.566,108 0.733,109 0.848,110 0.859,111 0.859,112 3.44,113 0.931,114 -3.44,115 -3.42,116 -3.27,119 42.9,120 1,121 1,125 6,140 8,141 2,142 3,144 2,156 1,169 8,172 8,174 1,176 1,178 8,181 2,182 8,184 1,186 2,189 6,192 1,193 6,197 2,199 6,202 1,203 6,211 2,215 7,218 1,222 1,225 1,226 3,233 2,236 2,237 1,244 4,249 3,252 1,256 6,259 1376,260 20.67,261 20.67,262 20.67,263 20.67,264 20.67,265 18.477,266 25.471,267 12.128,268 21.09,269 16.807,270 16.807,271 16.807,272 16.807,273 16.807,274 13.431,275 33.361,276 5.768,277 17.487,278 4.326,279 2.341,280 1.321,281 0.621,282 0.549,283 0.549,284 4.156,288 1,289 1,290 886,291 2.646,295 400.254,299 268.055,302 1.956,303 21.15,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64,315 395,316 4.551,317 3.662,318 6.695,319 4.109,320 3.139,321 4.474,322 2.03,323 10.856,324 3.046,325 4.392,326 3.281,327 6.518,328 4.018,329 3.056,330 4.034,331 0.892,332 10.25,333 2.938,334 3.856,335 3.182,336 5.807,337 3.583,338 2.647,339 3.249,340 0.8,341 8.002,342 2.474,343 3.657,344 2.874,345 5.378,346 3.37,347 2.408,348 2.875,349 0.8,350 6.98,351 2.334,352 3.525,353 2.645,354 5.267,355 3.267,356 2.294,357 2.734,358 0.141,359 6.616,360 2.203,361 3.344,362 2.28,363 4.961,364 3.007,365 2.041,366 2.52,368 5.733,369 1.967,370 3.216,371 2.208,372 4.809,373 2.858,374 1.866,375 2.406,377 5.274,378 1.842,379 3.027,380 2.032,381 4.559,382 2.575,383 1.599,384 2.241,386 4.493,387 1.559,388 2.911,389 1.65,390 4.189,391 2.467,392 1.515,393 2.071,395 3.793,396 1.435,397 2.775,398 1.476,399 4.035,400 2.398,401 1.417,402 1.842,404 3.463,405 1.385,406 2.27,407 1.301,408 3.451,409 1.983,410 1.049,411 1.203,413 2.412,414 0.972,415 2.142,416 1.146,417 3.414,418 1.967,419 1,420 1.093,422 2.275,423 0.965,424 2,425 1.056,426 3.364,427 1.806,428 0.838,429 1,431 1.999,432 0.808,433 1.72,434 0.881,435 3.154,436 1.529,437 0.575,438 0.64,440 1.375,441 0.545,442 1.213,443 0.63,444 2.645,445 0.834,446 -0.136,447 -0.154,449 -0.338,450 -0.131,451 14.267,452 0.476,453 0.674,454 0.022,455 39.25,456 1.308,457 19,458 0.633,459 20.25,460 0.675,461 25.505,462 0.85,463 31.933,464 0.57,465 27.767,466 0.926,467 7.712,468 0.257,469 6.958,470 0.232,471 0.058,473 0.336,479 0.805,480 1.396,481 0.795,482 1.12,483 0.586,484 0.978,485 1.09,486 1.151,487 0.916,488 0.945,489 0.619,490 0.902,491 1.069,492 0.956,493 1.06,494 0.94,495 0.956,496 0.976,497 0.837,498 1.109,499 1.052,500 1.152,501 0.563,502 1.14,503 0.733,504 1.02,505 1.016,506 1.057,507 0.658,508 1.072,509 0.674,510 1.046,511 0.973,512 1.071,513 0.674,514 1.058,515 1.2,516 0.901,517 1.076,518 0.915,519 1.044,520 0.967,521 0.981,522 1.035,523 1.165,524 1.089,525 0.905,526 1.147,527 5.5,528 0.128,529 3.556,530 1.75,531 1.716,532 0.833,533 0.584,534 0.313,535 0.2,536 0.199,537 13872,538 33031,539 2.186,540 46.4,542 20,545 1,546 3,547 2,550 1.722,551 2.093,552 3.631,553 -0.382,555 1,559 82.961,560 1.481,561 3.466,562 4.486,563 5.187,564 5.258,565 5.258,566 3.023,567 4.548,568 4.882,569 3.815,570 1659.61,571 8.478,572 23764.6,574 1,576 1,577 325.212,578 1.231,579 4.859,580 0.162,581 0.006,582 0.074,583 0.035,584 0.04,585 0.022,586 0.018,587 0.011,588 0.008,589 0.009,590 0.384,591 0.5,592 0.88,593 0.424,594 156.398,595 -0.008,596 -0.217,597 0.078,598 -0.073,599 -0.009,600 -0.001,601 -0.045,602 -0.023,603 0.032,604 0.031,605 0.051,606 0.042,607 0.018,608 0.124,609 -0.089,610 0.022,611 0.02,612 -0.03,613 -0.032,614 -0.131,615 -0.103,616 -0.137,617 0.014,618 -0.134,619 0.006,620 -0.067,621 -0.05,622 -0.062,623 -0.011,624 -0.064,625 0.034,626 -0.098,627 0.003,628 -0.093,629 -0.003,630 -0.055,631 -0.122,632 0.054,633 -0.06,634 0.033,635 -0.127,637 -0.008,638 -0.072,639 -0.181,640 -0.109,641 -0.083,642 -0.164,643 1.755,644 4.535,645 0.867,646 29.209,647 0.996,648 1.125,649 2.209,650 4.881,651 0.666,652 3.555,653 3.892,654 4.19,655 4.477,656 4.754,657 4.796,658 4.898,659 5.011,660 5.118,661 5.136,662 7.585,663 0.631,664 402.54,665 3.555,666 5.106,667 5.969,668 6.853,669 7.73,670 8.617,671 9.498,672 10.387,673 11.269,674 12.158,675 7.1,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 56,716 18,717 2,718 34,720 60,721 24,722 15,723 6,724 6,730 5,731 7,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,764 26,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 30,833 7,834 1,835 1,838 2,847 3.6,850 1,852 1,854 14.333,855 10.35,856 6.472,857 3.497,858 3.558,859 1.428,860 1.022,861 5.32,862 11.864,863 3.795,864 4.394,865 4.975,866 5.564,867 6.133,868 6.365,869 6.668,870 6.988,871 7.257,872 7.129,873 0.889,874 50,875 11.119,877 4.768,878 7.561,879 21.813,881 18.451,883 2.061,884 61.833,886 1,887 1,888 294.278,889 128.412,890 41.045,892 36.145,895 128.412,896 330.422,897 41.045,898 8.825,899 35.666,900 75.81,901 46.635,902 38.665,904 294.278,906 294.278,907 169.457,908 36.145,911 270.735,912 59.687,915 52.517,916 100.154,917 16.786,919 294.278,920 77.19,921 128.412,924 294.278,925 43.776,926 90.884,927 18.011,928 52.93,929 294.278,930 77.19,931 128.412,933 0.584,934 0.344,935 0.193,936 0.111,937 25,938 10,939 0.067,940 4,941 2,942 1.154,943 4.277,944 272.868,945 0.154,946 26,947 141.207,951 19.347,952 8.249,953 4.035,954 2.294,955 77.19,956 16.659,957 4.674,961 5.102,963 18.011,964 499.879,965 43.5,970 11.535,974 -0.088,975 55.781,976 62.979,977 0.255,978 0.597,979 0.773,980 0.893,981 0.905,982 0.905,983 5.045,984 1.599,985 5.948,986 5.274,987 4.575,988 5.081,989 2.452,990 6.76,991 4.498,992 6.237,993 1.515,994 7.503,995 4.493,996 4.111,997 4.89,998 1.738,999 7.653,1000 4.001,1001 7.542,1002 1.417,1003 9.156,1004 3.793,1005 6.168,1006 7.277,1007 3.301,1008 10.764,1009 6.012,1010 8.88,1011 1.049,1012 10.87,1013 3.463,1014 6.524,1015 7.934,1016 3.226,1017 12.512,1018 6.333,1019 10.252,1020 1,1021 12.624,1022 2.412,1023 8.036,1024 9.807,1025 4.5,1026 15.137,1027 7.807,1028 11.648,1029 0.838,1030 14.406,1031 2.275,1032 8.79,1033 10.882,1034 4.754,1035 17.243,1036 8.525,1037 13.064,1038 0.575,1039 16.21,1040 1.999,1041 10.073,1042 12.536,1043 5.815,1044 19.702,1045 9.773,1046 3.139,1047 -0.136,1048 18.029,1049 1.375,1050 11.022,1051 13.82,1052 6.249,1053 21.958,1054 10.688,1055 3.056,1056 10.856,1057 19.862,1058 -0.338,1059 12.208,1060 15.377,1061 7.175,1062 24.357,1063 11.842,1064 2.647,1065 10.25,1066 21.706,1067 4.474,1068 13.251,1069 16.762,1070 7.714,1071 26.676,1072 12.852,1073 2.408,1074 8.002,1075 23.557,1076 4.034,1077 14.398,1078 18.276,1079 8.557,1080 29.054,1081 13.968,1082 2.294,1083 6.98,1084 25.416,1085 3.249,1086 15.486,1087 19.712,1088 9.16,1089 31.4,1090 15.024,1091 2.041,1092 6.616,1093 27.28,1094 2.875,1095 16.62,1096 21.208,1097 9.952,1098 33.771,1099 16.127,1100 1.866,1101 5.733,1102 29.149,1103 2.734,1104 17.729,1105 22.668,1106 10.594,1107 36.129,1108 17.205,1109 12673,1110 19707,1111 23.463,1112 37.307,1113 50.946,1114 52.351,1115 52.144,1116 50.864,1117 50.891,1118 64.766,1119 9.327,1120 147.041,1121 48.946,1122 5.551,1123 5.662,1124 6.232,1125 5.217,1126 5.139,1127 7.474,1128 3.634,1129 18.031,1130 5.046,1131 10.734,1132 1.498,1133 1.54,1134 1.534,1135 1.496,1136 1.497,1137 1.905,1138 0.274,1139 4.325,1140 1.44,1141 4.095,1142 4.129,1143 4.054,1144 4.015,1145 7.429,1146 4.021,1147 3.981,1148 4.006,1149 3.933,1150 3.887,1151 4.984,1152 3.893,1153 3.787,1154 3.856,1155 3.68,1156 3.597,1157 4.84,1158 3.608,1159 3.538,1160 3.587,1161 3.448,1162 3.416,1163 4.441,1164 3.41,1165 3.496,1166 3.538,1167 3.398,1168 3.302,1169 4.305,1170 3.327,1171 3.323,1172 3.39,1173 3.175,1174 3.168,1175 4.274,1176 3.161,1177 3.111,1178 3.206,1179 2.948,1180 2.952,1181 3.986,1182 2.939,1183 3.087,1184 3.162,1185 2.866,1186 2.941,1187 3.893,1188 2.91,1189 0.134,1190 0.108,1191 0.197,1192 0.121,1193 0.092,1194 4.551,1195 0.132,1196 3.662,1197 0.06,1198 6.695,1199 0.319,1200 4.109,1201 0.09,1202 3.139,1203 4.474,1204 2.03,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.938,1214 1.915,1215 2.046,1216 2.062,1217 1.242,1218 2.056,1219 1.743,1220 1.674,1221 1.936,1222 1.954,1223 1.152,1224 1.952,1225 1.525,1226 1.477,1227 1.735,1228 1.696,1229 0.894,1230 1.703,1231 1.436,1232 1.395,1233 1.657,1234 1.646,1235 0.825,1236 1.656,1237 1.32,1238 1.259,1239 1.565,1240 1.517,1241 0.804,1242 1.542,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.708,1248 1.429,1249 1.111,1250 1.039,1251 1.424,1252 1.303,1253 0.48,1254 1.349,1255 4.234,1257 5.565,1259 7.102,1261 8.736,1263 10.417,1265 2.035,1271 6.069,1272 2.891,1273 5.686,1276 4.976,1280 35.31,1281 82.961,1282 194.115,1283 251.238,1284 290.457,1285 294.457,1286 294.457,1287 40.018,1288 8.306,1289 57.7,1290 57.7,1291 30,1292 12.689,1293 4.248,1294 3.392,1295 41.934,1296 141,1297 122,1298 0.146,1299 212.843,1300 367.08,1301 511.096,1302 56332,1304 20.501,1305 0.683,1306 0.574,1307 20.501,1308 17.227,1309 14.67,1310 0.431,1311 0.31,1312 10.415,1313 14.144,1314 10.17,1315 8.356,1316 14.67,1317 10.555,1318 13.328,1319 0.278,1320 0.167,1321 13.328,1322 8.006,1323 11.467,1324 0.176,1325 0.092,1326 11.467,1327 5.977,1328 9.877,1329 0.114,1330 0.05,1331 9.877,1332 4.382,1333 8.492,1334 0.074,1335 0.028,1336 8.492,1337 3.223,1338 0.235,1339 91.508,1340 0.206,1341 28.716,1342 0.382,1343 164,1344 428.739,1345 178.361,1346 414.171,1347 578.75,1348 392,1349 195,1350 434.091,1351 210.749,1352 438.911,1353 646.87,1354 415,1355 10.3} {0 CHEMBL513875,1 1.549,2 13.212,3 4.115,4 16.937,5 127.085,6 7.235,7 0.459,8 4.227,9 4.349,10 3.781,11 3.752,12 5.27,13 3.732,14 4.812,15 5.003,16 4.176,17 4.162,18 5.815,19 4.133,20 5.081,21 5.284,22 4.298,23 4.373,24 6.111,25 4.315,26 5.201,27 5.42,28 4.219,29 4.442,30 6.144,31 4.328,32 5.288,33 5.554,34 4.13,35 4.422,36 6.125,37 4.282,38 5.205,39 5.473,40 4.062,41 4.309,42 6.117,43 4.181,44 5.103,45 5.359,46 3.953,47 4.19,48 6.059,49 4.073,50 5.005,51 5.262,52 3.781,53 4.111,54 5.859,55 3.971,56 0.005,57 0.986,58 13.18,59 5.777,60 6.765,61 7.685,62 0.263,63 1.634,64 26.486,65 9.22,66 25.347,67 12.897,68 0.537,69 2.071,70 35.649,71 12.339,72 51.756,73 16.983,74 0.458,75 2.21,76 40.527,77 15.566,78 55.033,79 21.555,80 0.47,81 2.28,82 46.565,83 16.923,84 54.411,85 24.031,86 0.447,87 2.234,88 43.342,89 15.295,90 70.101,91 21.289,92 0.622,93 2.002,94 39.605,95 13.13,96 78.359,97 17.968,98 0.581,99 1.695,100 35.532,101 11.861,102 57.966,103 16.698,104 26,105 54,106 0.248,107 0.573,108 0.794,109 0.887,110 0.887,111 0.887,112 3.532,113 0.931,114 -4.22,115 -4.16,116 -3.93,119 41.9,120 2,121 1,124 1,125 5,127 1,140 7,141 2,142 4,144 2,156 1,169 6,171 1,172 10,178 8,181 3,182 9,189 5,192 1,193 8,199 6,202 1,203 6,211 3,214 1,215 6,222 3,225 1,226 5,233 5,236 2,237 2,244 4,248 1,249 3,256 6,259 1771,260 22.17,261 22.17,262 22.17,263 22.17,264 22.17,265 20.001,266 29.306,267 12.691,268 22.696,269 18.226,270 18.226,271 18.226,272 18.226,273 18.226,274 14.797,275 39.196,276 6.003,277 19.087,278 4.405,279 2.378,280 0.999,281 0.424,282 0.424,283 0.424,284 4.239,288 1,289 1,290 965,291 2.915,295 444.395,299 297.649,302 2.011,303 32.36,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 71.5,315 436,316 4.583,317 3.8,318 6.743,319 4.146,320 3.182,321 4.51,322 2.055,323 10.972,324 3.073,325 4.465,326 3.355,327 6.72,328 4.124,329 3.168,330 4.077,331 0.933,332 10.929,333 3.023,334 3.93,335 3.189,336 6.081,337 3.772,338 2.832,339 3.287,340 0.8,341 8.795,342 2.658,343 3.826,344 3.062,345 5.93,346 3.529,347 2.551,348 3.078,349 0.8,350 8.101,351 2.488,352 3.719,353 2.73,354 5.737,355 3.388,356 2.442,357 2.972,358 0.51,359 7.721,360 2.309,361 3.538,362 2.668,363 5.051,364 3.15,365 2.215,366 2.779,368 6.056,369 2.061,370 3.307,371 2.449,372 5.028,373 2.92,374 1.956,375 2.573,377 5.662,378 1.888,379 3.241,380 2.207,381 4.963,382 2.88,383 1.887,384 2.438,386 5.55,387 1.851,388 2.916,389 2.105,390 4.583,391 2.539,392 1.605,393 2.075,395 4.554,396 1.497,397 2.876,398 1.665,399 4.361,400 2.48,401 1.527,402 1.968,404 4.075,405 1.447,406 2.52,407 1.585,408 4.172,409 2.427,410 1.457,411 1.52,413 3.72,414 1.41,415 2.36,416 1.428,417 3.724,418 2.164,419 1.212,420 1.346,422 2.763,423 1.143,424 2.31,425 1.233,426 3.652,427 1.934,428 0.969,429 1.257,431 2.497,432 0.931,433 1.819,434 1.106,435 3.282,436 1.642,437 0.672,438 0.746,440 1.639,441 0.65,442 1.62,443 0.828,444 2.876,445 1.231,446 0.26,447 0.318,449 0.584,450 0.247,451 15.552,452 0.471,453 0.942,454 0.029,455 41.25,456 1.25,457 19,458 0.576,459 22.25,460 0.674,461 32.205,462 0.976,463 36.048,464 0.581,465 31.968,466 0.969,467 8.06,468 0.244,469 7.842,470 0.238,471 0.136,473 0.399,477 1,479 0.675,480 1.335,481 0.769,482 1.184,483 0.533,484 1.027,485 0.926,486 1.044,487 0.825,488 0.88,489 0.543,490 0.828,491 1.021,492 0.964,493 1.038,494 0.95,495 0.883,496 0.972,497 0.754,498 1.002,499 1.062,500 1.192,501 0.685,502 1.193,503 0.745,504 0.963,505 0.936,506 1.013,507 0.62,508 1.015,509 0.988,510 1.124,511 0.999,512 1.05,513 1.097,514 1.029,515 1.329,516 1.055,517 1.167,518 1.01,519 1.386,520 1.05,521 1.111,522 0.913,523 1.185,524 0.981,525 0.929,526 1.077,527 7,528 0.157,529 4.667,530 2.563,531 2.489,532 1.313,533 0.87,534 0.531,535 0.377,536 0.245,537 16647,538 42314,539 2.112,540 46.8,542 21,546 3,547 5,550 1.749,551 1.96,552 3.626,553 -0.781,555 1,559 96.067,560 1.549,561 3.577,562 4.956,563 5.531,564 5.531,565 5.531,566 3.024,567 4.984,568 5.02,569 3.832,570 2023.44,571 8.77,572 30483.8,574 1,577 369.16,578 1.459,579 4.969,580 0.189,581 0.006,582 0.086,583 0.043,584 0.048,585 0.028,586 0.02,587 0.014,588 0.012,589 0.009,590 0.456,591 0.5,592 0.88,593 0.565,594 176,595 -0.002,596 -0.235,597 0.076,598 -0.106,599 -0.021,600 -0.022,601 -0.042,602 -0.009,603 0.107,604 0.099,605 0.052,606 0.128,607 -0.033,608 0.092,609 -0.085,610 0.025,611 -0.009,612 -0.02,613 0.037,614 -0.076,615 -0.13,616 -0.176,617 0.023,618 -0.189,619 0.011,620 -0.088,621 0.028,622 -0.023,623 0.023,624 -0.003,625 -0.031,626 -0.076,627 -0.002,628 -0.061,629 -0.05,630 -0.031,631 -0.111,632 0.039,633 -0.139,634 -0.039,635 -0.144,636 -0.085,637 -0.105,638 0.024,639 -0.19,640 -0.022,641 -0.109,642 -0.106,643 1.914,644 6.342,645 0.788,646 32.828,647 1.001,648 1.131,649 2.99,650 8.942,651 0.658,652 3.638,653 4.007,654 4.317,655 4.605,656 4.89,657 4.977,658 5.081,659 5.204,660 5.308,661 5.323,662 7.702,663 0.625,664 448.59,665 3.638,666 5.209,667 6.084,668 6.984,669 7.874,670 8.775,671 9.669,672 10.571,673 11.468,674 12.37,675 6.5,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 62,716 18,717 2,718 37,720 66,721 26,722 15,723 7,724 5,730 5,731 7,736 2,740 1,743 2,745 16,746 10,750 1,755 1,759 1,761 1,762 1,764 29,765 7,767 7,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 3,825 1,827 33,833 6,835 1,837 1,838 3,846 1,847 3.2,850 1,852 1,854 16.833,855 12.193,856 7.056,857 3.869,858 3.54,859 1.416,860 0.998,861 5.982,862 12.042,863 3.861,864 4.477,865 5.064,866 5.65,867 6.23,868 6.509,869 6.808,870 7.146,871 7.396,872 7.324,873 0.889,874 59,875 12.29,877 5.331,878 7.707,879 23.772,881 20.124,883 2.207,884 72.833,887 1,888 341.362,889 143.172,890 26.158,892 36.145,893 14.96,895 143.172,896 377.507,897 41.119,898 26.047,899 18.674,900 66.334,901 46.635,902 47.786,903 14.96,904 341.362,906 341.362,907 169.331,908 51.105,911 297.467,912 95,915 44.35,916 108.196,917 16.786,919 356.322,920 62.303,921 143.172,924 341.362,925 50.792,926 101.753,928 67.89,929 341.362,930 77.263,931 143.172,933 0.596,934 0.357,935 0.194,936 0.112,937 28,938 13,939 0.061,940 4,941 2,942 1.154,943 4.352,944 317.742,945 0.154,946 26,947 166.465,951 22.121,952 8.924,953 4.299,954 1.701,955 77.263,956 13.167,957 4.521,961 4.34,964 561.798,965 46.5,970 11.944,974 -0.028,975 62.061,976 70.149,977 0.26,978 0.601,979 0.832,980 0.929,981 0.929,982 0.929,983 5.137,984 1.887,985 6.094,986 5.662,987 4.691,988 5.165,989 2.506,990 6.944,991 4.602,992 6.348,993 1.605,994 7.681,995 5.55,996 4.369,997 5.066,998 1.803,999 7.906,1000 4.228,1001 7.668,1002 1.527,1003 9.366,1004 4.554,1005 6.33,1006 7.369,1007 3.344,1008 11.027,1009 6.152,1010 9.019,1011 1.457,1012 11.107,1013 4.075,1014 6.792,1015 8.075,1016 3.307,1017 12.799,1018 6.564,1019 10.401,1020 1.212,1021 12.883,1022 3.72,1023 8.249,1024 9.902,1025 4.562,1026 15.45,1027 7.986,1028 11.806,1029 0.969,1030 14.685,1031 2.763,1032 9.075,1033 10.999,1034 4.855,1035 17.567,1036 8.764,1037 13.229,1038 0.672,1039 16.505,1040 2.497,1041 10.335,1042 12.633,1043 5.901,1044 20.052,1045 9.989,1046 3.182,1047 0.26,1048 18.339,1049 1.639,1050 11.332,1051 13.929,1052 6.37,1053 22.32,1054 10.941,1055 3.168,1056 10.972,1057 20.184,1058 0.584,1059 12.514,1060 15.479,1061 7.287,1062 24.743,1063 12.087,1064 2.832,1065 10.929,1066 22.039,1067 4.51,1068 13.591,1069 16.874,1070 7.856,1071 27.079,1072 13.12,1073 2.551,1074 8.795,1075 23.9,1076 4.077,1077 14.745,1078 18.387,1079 8.696,1080 29.48,1081 14.237,1082 2.442,1083 8.101,1084 25.768,1085 3.287,1086 15.858,1087 19.831,1088 9.324,1089 31.845,1090 15.309,1091 2.215,1092 7.721,1093 27.641,1094 3.078,1095 17.004,1096 21.33,1097 10.117,1098 34.239,1099 16.418,1100 1.956,1101 6.056,1102 29.519,1103 2.972,1104 18.135,1105 22.799,1106 10.781,1107 36.619,1108 17.508,1109 15444,1110 24772,1111 24.679,1112 40.767,1113 56.37,1114 57.787,1115 58.324,1116 55.963,1117 55.872,1118 69.889,1119 10.197,1120 167.241,1121 53.351,1122 5.583,1123 5.8,1124 6.272,1125 5.255,1126 5.182,1127 7.51,1128 3.661,1129 18.322,1130 5.073,1131 17.388,1132 1.524,1133 1.562,1134 1.576,1135 1.513,1136 1.51,1137 1.889,1138 0.276,1139 4.52,1140 1.442,1141 4.103,1142 4.136,1143 4.067,1144 4.017,1145 8.201,1146 4.025,1147 3.992,1148 4.017,1149 3.946,1150 3.895,1151 7.427,1152 3.902,1153 3.817,1154 3.882,1155 3.715,1156 3.64,1157 4.949,1158 3.649,1159 3.564,1160 3.612,1161 3.48,1162 3.421,1163 4.829,1164 3.422,1165 3.524,1166 3.57,1167 3.444,1168 3.351,1169 4.424,1170 3.372,1171 3.329,1172 3.396,1173 3.189,1174 3.175,1175 4.294,1176 3.166,1177 3.273,1178 3.362,1179 3.07,1180 3.102,1181 4.215,1182 3.081,1183 3.142,1184 3.227,1185 2.974,1186 2.952,1187 4.025,1188 2.945,1189 0.124,1190 0.103,1191 0.182,1192 0.112,1193 0.086,1194 4.583,1195 0.122,1196 3.8,1197 0.056,1198 6.743,1199 0.297,1200 4.146,1201 0.083,1202 3.182,1203 4.51,1204 2.055,1205 10.972,1206 3.073,1207 2.045,1208 2.02,1209 2.118,1210 2.15,1211 1.378,1212 2.142,1213 1.945,1214 1.921,1215 2.052,1216 2.071,1217 1.244,1218 2.063,1219 1.777,1220 1.713,1221 1.963,1222 1.976,1223 1.17,1224 1.975,1225 1.524,1226 1.477,1227 1.728,1228 1.723,1229 0.932,1230 1.726,1231 1.483,1232 1.436,1233 1.706,1234 1.662,1235 0.899,1236 1.676,1237 1.333,1238 1.268,1239 1.64,1240 1.532,1241 0.796,1242 1.574,1243 1.295,1244 1.213,1245 1.584,1246 1.51,1247 0.731,1248 1.538,1249 1.117,1250 1.038,1251 1.479,1252 1.415,1253 0.596,1254 1.441,1255 4.317,1257 5.673,1259 7.232,1261 8.887,1263 10.59,1265 5.941,1267 14.342,1271 4.39,1273 5.78,1275 0.32,1276 6.415,1280 38.747,1281 96.067,1282 221.75,1283 307.244,1284 342.896,1285 342.896,1286 342.896,1287 58.052,1288 8.501,1289 48.91,1290 48.91,1291 30,1292 12.891,1293 4.248,1294 3.392,1295 48.079,1296 157,1297 134,1298 0.151,1299 233.226,1300 407.75,1301 560.831,1302 69286,1303 1.6,1304 23.112,1305 0.7,1306 0.586,1307 22.242,1308 19.345,1309 15.902,1310 0.43,1311 0.31,1312 11.3,1313 15.226,1314 10.949,1315 9.027,1316 15.508,1317 11.476,1318 14.903,1319 0.276,1320 0.167,1321 14.257,1322 9.032,1323 12.93,1324 0.175,1325 0.092,1326 12.663,1327 6.814,1328 10.892,1329 0.11,1330 0.05,1331 10.574,1332 4.92,1333 9.264,1334 0.07,1335 0.027,1336 8.923,1337 3.561,1338 0.24,1339 99.943,1340 0.201,1341 30.773,1342 0.402,1343 182,1344 540.163,1345 200.886,1346 493.285,1347 676.76,1348 464,1349 219,1350 501.692,1351 239.157,1352 501.275,1353 739.93,1354 472,1355 9.5} {0 CHEMBL513955,1 1.343,2 15.771,3 5.684,4 32.302,5 142.778,6 6.402,7 0.436,8 4.373,9 4.503,10 3.827,11 3.905,12 5.283,13 3.854,14 4.981,15 5.178,16 4.183,17 4.315,18 5.824,19 4.243,20 5.281,21 5.511,22 4.226,23 4.504,24 6.071,25 4.387,26 5.348,27 5.614,28 4.129,29 4.532,30 6.044,31 4.367,32 5.35,33 5.623,34 4.054,35 4.499,36 6.042,37 4.322,38 5.298,39 5.577,40 3.973,41 4.418,42 5.98,43 4.237,44 5.207,45 5.49,46 3.909,47 4.327,48 5.867,49 4.154,50 5.119,51 5.381,52 3.838,53 4.3,54 5.778,55 4.123,56 0.075,57 1.042,58 17.923,59 7.406,60 10.747,61 10.407,62 0.28,63 1.752,64 33.782,65 12.044,66 27.022,67 17.457,68 0.585,69 2.214,70 46,71 16.061,72 43.149,73 23.284,74 0.382,75 2.31,76 47.94,77 18.557,78 36.651,79 26.998,80 0.361,81 2.251,82 48.077,83 18.673,84 39.507,85 26.95,86 0.344,87 2.129,88 45.666,89 17.385,90 39.088,91 25.333,92 0.374,93 1.97,94 41.878,95 15.346,96 33.091,97 22.634,98 0.313,99 1.843,100 38.11,101 14.756,102 26.365,103 21.393,104 10,105 54,106 0.209,107 0.499,108 0.738,109 0.83,110 0.834,111 0.834,112 3.588,113 1.019,114 -4.81,115 -4.72,116 -4.44,119 40.5,120 3,121 3,122 1,125 6,127 2,140 9,141 2,142 2,144 2,169 12,172 12,178 15,181 2,182 9,189 11,192 1,193 6,199 12,203 8,211 9,215 10,222 7,225 1,226 6,233 8,236 1,237 3,244 8,249 7,256 12,259 2272,260 23.842,261 23.842,262 23.842,263 23.842,264 23.842,265 21.831,266 30.395,267 14.158,268 24.408,269 19.319,270 19.319,271 19.319,272 19.319,273 19.319,274 16.31,275 37.861,276 6.802,277 20.236,278 4.866,279 2.998,280 1.46,281 0.868,282 0.841,283 0.841,284 4.298,289 1,290 1219,291 3.082,295 576.214,299 180.249,302 2.56,303 19.243,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 73.5,315 552,316 4.516,317 3.262,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.193,326 3.185,327 6.219,328 3.91,329 2.963,330 3.734,331 0.86,332 9.386,333 2.824,334 3.782,335 2.937,336 5.614,337 3.676,338 2.708,339 3.17,340 0.8,341 7.78,342 2.612,343 3.717,344 2.83,345 5.378,346 3.459,347 2.515,348 2.918,349 0.8,350 7.068,351 2.369,352 3.601,353 2.628,354 5.321,355 3.292,356 2.345,357 2.642,359 6.722,360 2.219,361 3.374,362 2.58,363 5.233,364 3.204,365 2.264,366 2.614,368 6.595,369 2.117,370 3.294,371 2.174,372 4.925,373 2.942,374 1.98,375 2.462,377 5.73,378 1.895,379 3.087,380 2.093,381 4.813,382 2.841,383 1.882,384 2.22,386 5.291,387 1.798,388 2.989,389 2.082,390 4.618,391 2.839,392 1.879,393 2.119,395 4.963,396 1.794,397 2.879,398 1.605,399 4.196,400 2.512,401 1.524,402 1.879,404 3.817,405 1.504,406 2.71,407 1.543,408 4.176,409 2.328,410 1.359,411 1.788,413 3.637,414 1.313,415 2.49,416 1.456,417 3.527,418 2.153,419 1.221,420 1.487,422 2.712,423 1.128,424 2.363,425 1.134,426 3.48,427 2.023,428 1.053,429 1.336,431 2.509,432 1.017,433 2.136,434 1.077,435 3.414,436 1.984,437 1,438 1.08,440 2.275,441 0.983,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.867,452 0.482,453 0.814,454 0.023,455 39.5,456 1.129,457 17,458 0.486,459 22.5,460 0.643,461 37.711,462 1.077,463 38.933,464 0.526,465 27.406,466 0.783,467 7.236,468 0.207,469 9.794,470 0.28,471 0.089,473 0.314,479 0.883,480 1.426,481 0.925,482 1.229,483 0.94,484 1.103,485 1.436,486 1.16,487 1.016,488 1.021,489 0.981,490 0.978,491 1.608,492 0.989,493 1.173,494 0.965,495 1.369,496 1.019,497 0.749,498 1.026,499 0.999,500 1.063,501 0.724,502 1.053,503 0.899,504 1.006,505 1.001,506 1.042,507 0.957,508 1.036,509 0.885,510 1.055,511 0.986,512 1.046,513 0.983,514 1.032,515 0.937,516 0.95,517 0.982,518 0.953,519 0.901,520 0.966,521 0.881,522 1.067,523 1.112,524 1.116,525 0.957,526 1.134,527 7.5,528 0.177,529 3.111,530 2.063,531 1.804,532 0.785,533 0.73,534 0.363,535 0.25,536 0.257,537 22651,538 44367,539 2.141,540 52.7,541 3,542 23,546 3,547 10,550 1.759,551 2.039,552 3.893,553 -0.85,559 99.407,560 1.343,561 3.211,562 4.75,563 5.341,564 5.368,565 5.368,566 3.373,567 4.844,568 5.104,569 4.137,570 2461.57,571 8.911,572 41933.8,577 459.5,578 1.271,579 5.076,580 0.192,581 0.006,582 0.058,583 0.038,584 0.038,585 0.018,586 0.018,587 0.01,588 0.007,589 0.008,590 0.393,591 0.33,592 0.75,593 0.45,594 195.196,595 0.054,596 -0.198,597 0.088,598 -0.079,599 -0.008,600 -0.007,601 -0.081,602 -0.025,603 0.028,604 0.007,605 0.117,606 0.027,607 -0.12,608 0.073,609 -0.13,610 0.021,611 -0.117,612 -0.046,613 0.034,614 -0.029,615 -0.031,616 -0.058,617 0.086,618 -0.05,619 -0.031,620 -0.045,621 -0.032,622 -0.042,623 -0.051,624 -0.037,625 -0.016,626 -0.1,627 -0.016,628 -0.058,629 -0.066,630 -0.042,631 -0.025,632 0.028,633 -0.002,634 0.015,635 -0.04,636 0.009,637 -0.055,638 -0.066,639 -0.141,640 -0.11,641 -0.15,642 -0.132,643 1.044,644 2.675,645 0.8,646 43.626,647 0.985,648 1.127,649 3.583,650 12.835,651 0.644,652 3.689,653 4.007,654 4.248,655 4.522,656 4.754,657 4.762,658 4.844,659 4.927,660 5.037,661 5.05,662 9.387,663 0.594,664 473.72,665 3.689,666 5.231,667 6.071,668 6.942,669 7.794,670 8.666,671 9.523,672 10.395,673 11.254,674 12.126,675 4.1,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 74,716 17,717 2,718 39,720 78,721 30,722 15,723 5,724 7,730 5,731 6,736 3,740 4,741 1,743 5,745 15,746 15,747 1,764 39,765 5,767 5,773 3,777 0.8,778 2,786 1,793 5,797 1,815 1,818 1,819 4,823 3,827 35,833 9,835 2,837 3,838 2,847 2.7,851 1,852 1,854 17.167,855 13.933,856 7.583,857 4.858,858 3.356,859 1.396,860 0.977,861 7.792,862 11.836,863 3.882,864 4.431,865 4.958,866 5.519,867 6.059,868 6.247,869 6.536,870 6.827,871 7.089,872 6.849,873 1,874 54,875 13.017,877 5.458,878 7.371,879 26.14,881 22.127,883 1.871,884 65.5,888 459.073,889 153.146,890 23.034,892 22,895 153.146,896 481.073,897 23.034,898 26.476,899 22.725,900 85.286,901 27.785,902 35.908,904 459.073,906 459.073,907 176.18,908 22,911 341.362,912 128.711,913 11,915 57.225,916 102.169,917 16.786,919 459.073,920 45.034,921 153.146,924 459.073,925 41.384,926 118.01,928 38.785,929 459.073,930 45.034,931 153.146,933 0.58,934 0.329,935 0.184,936 0.103,937 26,938 11,939 0.09,940 7,941 1,942 1.071,943 4.785,944 320.334,945 0.071,946 28,947 164.77,951 24.398,952 11.179,953 6.286,954 2.102,955 45.034,956 19.505,957 4.617,961 4.789,964 657.253,965 47.5,975 72.865,976 83.387,977 0.216,978 0.517,979 0.765,980 0.86,981 0.864,982 0.864,983 5.131,984 1.882,985 6.043,986 5.73,987 4.691,988 5.118,989 1.771,990 6.812,991 4.604,992 6.296,993 1.879,994 7.57,995 5.291,996 4.205,997 4.832,998 0.57,999 7.582,1000 4.066,1001 7.575,1002 1.524,1003 9.19,1004 4.963,1005 6.248,1006 7.233,1007 1.413,1008 10.663,1009 6.077,1010 8.882,1011 1.359,1012 10.864,1013 3.817,1014 6.538,1015 7.797,1016 0.479,1017 12.26,1018 6.318,1019 10.224,1020 1.221,1021 12.575,1022 3.637,1023 8.052,1024 9.7,1025 1.15,1026 14.848,1027 7.804,1028 11.589,1029 1.053,1030 14.311,1031 2.712,1032 8.731,1033 10.71,1034 0.346,1035 16.825,1036 8.438,1037 12.974,1038 1,1039 16.067,1040 2.509,1041 10.007,1042 12.388,1043 0.93,1044 19.231,1045 9.688,1046 3.054,1047 0.865,1048 17.84,1049 2.275,1050 10.889,1051 13.635,1052 0.237,1053 21.387,1054 10.53,1055 2.963,1056 10.248,1057 19.625,1058 1.999,1059 12.057,1060 15.206,1061 0.742,1062 23.725,1063 11.671,1064 2.708,1065 9.386,1066 21.422,1067 4.458,1068 13.044,1069 16.575,1070 0.158,1071 25.963,1072 12.621,1073 2.515,1074 7.78,1075 23.228,1076 3.734,1077 14.166,1078 18.098,1079 0.583,1080 28.279,1081 13.714,1082 2.345,1083 7.068,1084 25.042,1085 3.17,1086 15.206,1087 19.527,1088 0.104,1089 30.555,1090 14.719,1091 2.264,1092 6.722,1093 26.864,1094 2.918,1095 16.309,1096 21.029,1097 0.452,1098 32.864,1099 15.793,1100 1.98,1101 6.595,1102 28.692,1103 2.642,1104 17.376,1105 22.489,1106 0.068,1107 35.159,1108 16.828,1109 20873,1110 29364,1111 26.641,1112 47.631,1113 58.058,1114 58.115,1115 58.767,1116 57.78,1117 57.726,1118 70.354,1119 6.64,1120 162.703,1121 55.231,1122 5.516,1123 5.262,1124 6.097,1125 5.133,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 14.686,1132 1.489,1133 1.49,1134 1.507,1135 1.482,1136 1.48,1137 1.804,1138 0.17,1139 4.172,1140 1.416,1141 4.082,1142 4.109,1143 4.04,1144 4.003,1145 5.017,1146 4.008,1147 3.995,1148 4.034,1149 3.923,1150 3.91,1151 4.768,1152 3.908,1153 3.849,1154 3.909,1155 3.732,1156 3.696,1157 4.608,1158 3.695,1159 3.736,1160 3.78,1161 3.626,1162 3.578,1163 4.58,1164 3.582,1165 3.549,1166 3.595,1167 3.447,1168 3.43,1169 4.328,1170 3.426,1171 3.439,1172 3.503,1173 3.292,1174 3.276,1175 4.212,1176 3.272,1177 3.367,1178 3.452,1179 3.151,1180 3.217,1181 3.903,1182 3.19,1183 3.176,1184 3.249,1185 3.038,1186 3,1187 3.901,1188 2.996,1189 0.116,1190 0.084,1191 0.167,1192 0.103,1193 0.078,1194 4.516,1195 0.114,1196 3.262,1197 0.022,1198 6.517,1199 0.263,1200 4.026,1201 0.076,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.117,1210 2.125,1211 1.479,1212 2.121,1213 1.967,1214 1.932,1215 2.104,1216 2.087,1217 1.283,1218 2.096,1219 1.826,1220 1.769,1221 2.014,1222 2.013,1223 1.222,1224 2.018,1225 1.703,1226 1.656,1227 1.909,1228 1.879,1229 1.119,1230 1.891,1231 1.538,1232 1.494,1233 1.751,1234 1.708,1235 0.991,1236 1.723,1237 1.437,1238 1.373,1239 1.733,1240 1.622,1241 0.97,1242 1.655,1243 1.405,1244 1.325,1245 1.697,1246 1.606,1247 0.825,1248 1.651,1249 1.163,1250 1.095,1251 1.513,1252 1.397,1253 0.805,1254 1.429,1255 4.369,1257 5.687,1259 7.195,1261 8.792,1263 10.434,1265 6.37,1271 9.648,1273 12.093,1275 1.34,1276 5.037,1280 43.976,1281 99.407,1282 237.625,1283 351.486,1284 395.235,1285 397.235,1286 397.235,1287 51.479,1288 8.48,1289 37.83,1290 37.83,1291 30,1292 12.67,1293 4.17,1294 3.248,1295 52.745,1296 204,1297 172,1298 0.124,1299 266.53,1300 462.52,1301 642.093,1302 76295,1304 24.2,1305 0.691,1306 0.613,1307 24.2,1308 21.45,1309 17.03,1310 0.437,1311 0.34,1312 13.101,1313 16.488,1314 12.688,1315 10.492,1316 17.03,1317 13.242,1318 15.557,1319 0.288,1320 0.193,1321 15.557,1322 10.445,1323 12.584,1324 0.182,1325 0.108,1326 12.584,1327 7.423,1328 10.954,1329 0.12,1330 0.062,1331 10.954,1332 5.656,1333 8.919,1334 0.078,1335 0.035,1336 8.919,1337 4.037,1338 0.205,1339 105.5,1340 0.194,1341 33.191,1342 0.314,1343 186,1344 424.406,1345 200.3,1346 408.97,1347 576.36,1348 390,1349 216,1350 433.656,1351 230.803,1352 438.585,1353 642.14,1354 415,1355 8.801} {0 CHEMBL514429,1 1.321,2 16.286,3 5.261,4 27.673,5 145.783,6 6.303,7 0.436,8 4.383,9 4.521,10 3.826,11 3.912,12 5.275,13 3.857,14 4.989,15 5.202,16 4.157,17 4.328,18 5.793,19 4.245,20 5.297,21 5.539,22 4.251,23 4.551,24 6.046,25 4.424,26 5.418,27 5.692,28 4.114,29 4.571,30 6.088,31 4.386,32 5.385,33 5.682,34 4.021,35 4.482,36 6.028,37 4.296,38 5.229,39 5.501,40 3.96,41 4.391,42 5.907,43 4.216,44 5.19,45 5.47,46 3.907,47 4.336,48 5.847,49 4.162,50 5.152,51 5.429,52 3.853,53 4.324,54 5.78,55 4.141,56 0.086,57 1.089,58 18.369,59 7.271,60 11.188,61 10.576,62 0.292,63 1.826,64 34.212,65 11.663,66 24.643,67 17.69,68 0.463,69 2.337,70 46.253,71 16.536,72 35.438,73 24.633,74 0.39,75 2.436,76 51.159,77 19.876,78 37.713,79 29.069,80 0.393,81 2.275,82 49.594,83 18.61,84 37.708,85 27.383,86 0.301,87 2.045,88 42.432,89 16.105,90 32.081,91 23.754,92 0.348,93 1.971,94 40.96,95 15.019,96 30.188,97 22.394,98 0.299,99 1.905,100 39.128,101 15.031,102 24.506,103 22.194,104 5,105 53,106 0.205,107 0.476,108 0.718,109 0.856,110 0.871,111 0.871,112 3.588,113 1.029,114 -4.81,115 -4.72,116 -4.44,119 40,120 1,121 4,122 1,124 1,125 8,140 9,141 2,142 2,144 2,169 12,172 12,178 15,181 2,182 7,189 11,192 1,193 6,199 13,203 8,211 7,215 10,222 5,225 1,226 6,233 5,236 1,237 3,244 8,249 7,256 8,259 2291,260 24.101,261 24.101,262 24.101,263 24.101,264 24.101,265 22.091,266 31.935,267 14.428,268 24.642,269 19.302,270 19.302,271 19.302,272 19.302,273 19.302,274 16.293,275 40.823,276 6.907,277 20.158,278 4.908,279 3.161,280 1.595,281 0.707,282 0.607,283 0.607,284 4.301,289 1,290 1260,291 3,295 452.027,296 136.381,299 179.668,302 2.604,303 15.643,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 73,315 570,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.178,326 3.144,327 6.171,328 3.868,329 2.908,330 3.731,331 0.8,332 9.193,333 2.806,334 3.735,335 2.909,336 5.6,337 3.646,338 2.683,339 3.17,340 0.8,341 7.719,342 2.582,343 3.713,344 2.738,345 5.339,346 3.388,347 2.444,348 2.874,349 0.8,350 6.931,351 2.304,352 3.545,353 2.626,354 5.307,355 3.289,356 2.342,357 2.635,359 6.708,360 2.218,361 3.341,362 2.587,363 5.049,364 3.215,365 2.283,366 2.591,368 6.128,369 2.122,370 3.295,371 2.18,372 4.94,373 2.987,374 2.023,375 2.371,377 5.799,378 1.94,379 3.109,380 2.096,381 4.813,382 2.843,383 1.885,384 2.22,386 5.291,387 1.8,388 2.99,389 1.647,390 4.286,391 2.513,392 1.526,393 2.136,395 3.991,396 1.505,397 2.763,398 1.59,399 4.196,400 2.459,401 1.485,402 1.837,404 3.816,405 1.443,406 2.533,407 1.459,408 3.546,409 2.258,410 1.277,411 1.541,413 2.77,414 1.251,415 2.49,416 1.365,417 3.527,418 2.156,419 1.223,420 1.487,422 2.712,423 1.131,424 2.267,425 1.16,426 3.482,427 2.101,428 1.114,429 1.264,431 2.539,432 1.097,433 2.136,434 1.077,435 3.414,436 1.984,437 1,438 1.08,440 2.275,441 0.983,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.933,452 0.484,453 0.708,454 0.02,455 39.75,456 1.136,457 17,458 0.486,459 22.75,460 0.65,461 36.726,462 1.049,463 38.867,464 0.518,465 27.73,466 0.792,467 7.419,468 0.212,469 9.717,470 0.278,471 0.059,473 0.278,479 0.923,480 1.497,481 0.948,482 1.238,483 0.865,484 1.117,485 1.543,486 1.112,487 1.064,488 0.967,489 0.952,490 0.965,491 1.312,492 1.006,493 1.118,494 1.016,495 1.095,496 1.042,497 0.841,498 1.067,499 1.029,500 1.119,501 0.835,502 1.097,503 1.08,504 0.878,505 0.92,506 0.902,507 1.076,508 0.904,509 0.995,510 1.104,511 1.035,512 1.092,513 1.072,514 1.076,515 1.064,516 1,517 1.038,518 1.003,519 1.056,520 1.017,521 0.834,522 1.002,523 1.05,524 1.057,525 0.867,526 1.069,527 6.5,528 0.193,529 3.333,530 1.75,531 1.436,532 0.764,533 0.68,534 0.383,535 0.192,536 0.216,537 22850,538 42484,539 2.158,540 53.3,541 3,542 28,546 3,547 4,548 2,550 1.759,551 2.079,552 3.944,553 -0.85,559 99.078,560 1.321,561 3.068,562 4.634,563 5.522,564 5.622,565 5.622,566 3.373,567 5.015,568 5.104,569 4.155,570 2472.48,571 8.909,572 42168.6,577 467.161,578 1.15,579 5.086,580 0.167,581 0.007,582 0.063,583 0.031,584 0.031,585 0.018,586 0.017,587 0.01,588 0.005,589 0.007,590 0.356,591 0.33,592 0.75,593 0.383,594 195.382,595 0.082,596 -0.247,597 0.091,598 -0.089,599 0.096,600 -0.014,601 -0.141,602 0.051,603 -0.009,604 0.048,605 0.091,606 0.036,607 -0.054,608 0.077,609 -0.093,610 -0.014,611 -0.013,612 -0.048,613 0.053,614 -0.101,615 -0.056,616 -0.11,617 0.085,618 -0.094,619 -0.032,620 0.045,621 0.058,622 0.073,623 -0.053,624 0.072,625 -0.035,626 -0.127,627 -0.054,628 -0.089,629 -0.095,630 -0.077,631 -0.048,632 -0.012,633 -0.049,634 -0.023,635 -0.114,636 -0.036,637 -0.027,638 -0.013,639 -0.078,640 -0.056,641 -0.079,642 -0.07,643 0.773,644 2.681,645 0.829,646 44.184,647 0.982,648 1.129,649 3.583,650 12.835,651 0.642,652 3.689,653 3.989,654 4.234,655 4.477,656 4.718,657 4.771,658 4.828,659 4.92,660 4.997,661 5.063,662 9.448,663 0.59,664 472.74,665 3.689,666 5.22,667 6.057,668 6.917,669 7.765,670 8.628,671 9.481,672 10.345,673 11.2,674 12.065,675 5.3,678 2,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 75,716 17,717 2,718 39,720 79,721 30,722 15,723 5,724 7,730 5,731 6,736 1,740 3,741 1,743 4,745 15,746 15,747 1,764 40,765 5,767 5,773 4,777 0.8,778 1,786 1,793 4,794 1,797 1,815 2,819 4,823 2,827 35,833 12,835 1,837 1,838 3,847 1.3,852 1,854 16.833,855 13.8,856 7.667,857 4.897,858 3.356,859 1.396,860 0.985,861 8.103,862 11.836,863 3.882,864 4.419,865 4.951,866 5.503,867 6.045,868 6.241,869 6.518,870 6.811,871 7.057,872 6.861,873 0.909,874 56,875 13.016,877 5.419,878 7.324,879 26.323,881 22.217,883 1.824,884 63.833,888 470.844,889 150.638,890 26.158,892 11,895 150.638,896 481.844,897 26.158,898 17.222,899 29.47,900 85.286,901 16.786,902 39.032,904 470.844,906 470.844,907 176.796,908 11,911 400.217,912 81.626,915 49.445,916 110.566,917 16.786,919 470.844,920 37.158,921 150.638,924 470.844,925 48.13,926 111.881,928 27.785,929 470.844,930 37.158,931 150.638,933 0.576,934 0.329,935 0.178,936 0.1,937 25,938 10,939 0.089,940 7,941 1,942 1.069,943 4.816,944 318.493,945 0.069,946 29,947 173.525,951 24.398,952 11.624,953 6.479,954 2.113,955 37.158,956 19.67,957 4.621,961 4.896,964 658.64,965 47.5,975 73.639,976 84.676,977 0.212,978 0.493,979 0.744,980 0.887,981 0.903,982 0.903,983 5.119,984 1.885,985 6.014,986 5.799,987 4.673,988 5.106,989 1.679,990 6.767,991 4.592,992 6.274,993 1.526,994 7.531,995 5.291,996 4.111,997 4.783,998 0.766,999 7.526,1000 3.973,1001 7.547,1002 1.485,1003 9.143,1004 3.991,1005 6.213,1006 7.22,1007 1.246,1008 10.599,1009 6.054,1010 8.851,1011 1.277,1012 10.813,1013 3.816,1014 6.463,1015 7.776,1016 0.653,1017 12.21,1018 6.252,1019 10.191,1020 1.223,1021 12.522,1022 2.77,1023 8,1024 9.69,1025 0.963,1026 14.78,1027 7.771,1028 11.556,1029 1.114,1030 14.257,1031 2.712,1032 8.655,1033 10.7,1034 0.482,1035 16.77,1036 8.383,1037 12.941,1038 1,1039 16.014,1040 2.539,1041 9.94,1042 12.382,1043 0.745,1044 19.164,1045 9.649,1046 3.054,1047 0.865,1048 17.787,1049 2.275,1050 10.807,1051 13.63,1052 0.337,1053 21.327,1054 10.479,1055 2.908,1056 10.248,1057 19.573,1058 1.999,1059 11.976,1060 15.203,1061 0.568,1062 23.66,1063 11.627,1064 2.683,1065 9.193,1066 21.37,1067 4.458,1068 12.952,1069 16.572,1070 0.229,1071 25.902,1072 12.571,1073 2.444,1074 7.719,1075 23.177,1076 3.731,1077 14.072,1078 18.095,1079 0.428,1080 28.215,1081 13.667,1082 2.342,1083 6.931,1084 24.993,1085 3.17,1086 15.105,1087 19.525,1088 0.153,1089 30.493,1090 14.67,1091 2.283,1092 6.708,1093 26.815,1094 2.874,1095 16.205,1096 21.028,1097 0.318,1098 32.803,1099 15.745,1100 2.023,1101 6.128,1102 28.643,1103 2.635,1104 17.267,1105 22.488,1106 0.1,1107 35.099,1108 16.779,1109 21019,1110 28842,1111 26.929,1112 48.182,1113 57.014,1114 57.16,1115 57.923,1116 57.062,1117 57,1118 69.62,1119 6.52,1120 158.087,1121 54.708,1122 5.516,1123 5.185,1124 6.097,1125 5.098,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 12.14,1132 1.462,1133 1.466,1134 1.485,1135 1.463,1136 1.462,1137 1.785,1138 0.167,1139 4.054,1140 1.403,1141 4.082,1142 4.11,1143 4.04,1144 4.003,1145 5.016,1146 4.008,1147 3.993,1148 4.035,1149 3.918,1150 3.91,1151 4.745,1152 3.906,1153 3.846,1154 3.913,1155 3.726,1156 3.694,1157 4.58,1158 3.692,1159 3.744,1160 3.806,1161 3.623,1162 3.585,1163 4.345,1164 3.585,1165 3.549,1166 3.596,1167 3.448,1168 3.43,1169 4.327,1170 3.426,1171 3.442,1172 3.508,1173 3.297,1174 3.278,1175 4.211,1176 3.274,1177 3.311,1178 3.404,1179 3.136,1180 3.124,1181 3.946,1182 3.103,1183 3.256,1184 3.342,1185 3.062,1186 3.051,1187 3.881,1188 3.053,1189 0.116,1190 0.082,1191 0.167,1192 0.103,1193 0.078,1194 4.516,1195 0.114,1196 3.185,1197 0.022,1198 6.517,1199 0.263,1200 4.026,1201 0.076,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.116,1210 2.125,1211 1.478,1212 2.121,1213 1.962,1214 1.928,1215 2.103,1216 2.076,1217 1.249,1218 2.09,1219 1.813,1220 1.756,1221 1.99,1222 1.978,1223 1.222,1224 1.986,1225 1.659,1226 1.582,1227 1.909,1228 1.889,1229 1.191,1230 1.901,1231 1.566,1232 1.501,1233 1.809,1234 1.769,1235 1.09,1236 1.788,1237 1.535,1238 1.482,1239 1.749,1240 1.7,1241 0.98,1242 1.717,1243 1.43,1244 1.366,1245 1.694,1246 1.616,1247 0.825,1248 1.647,1249 1.153,1250 1.078,1251 1.513,1252 1.376,1253 0.805,1254 1.429,1255 4.369,1257 5.673,1259 7.163,1260 2.708,1261 8.739,1262 5.094,1263 10.361,1265 4.266,1271 13.721,1273 6.181,1275 0.782,1276 7.583,1280 44.283,1281 99.078,1282 230.116,1283 347.555,1284 414.142,1285 421.652,1286 421.652,1287 48.617,1288 8.48,1289 31.84,1290 31.84,1291 31,1292 12.613,1293 4.17,1294 3.248,1295 52.742,1296 205,1297 172,1298 0.123,1299 269.328,1300 464.73,1301 648.92,1302 77270,1304 24.037,1305 0.687,1306 0.613,1307 24.037,1308 21.456,1309 17.136,1310 0.439,1311 0.343,1312 13.234,1313 16.615,1314 12.856,1315 10.636,1316 17.136,1317 13.379,1318 15.253,1319 0.288,1320 0.197,1321 15.253,1322 10.427,1323 12.671,1324 0.186,1325 0.114,1326 12.671,1327 7.723,1328 10.547,1329 0.121,1330 0.064,1331 10.547,1332 5.572,1333 8.805,1334 0.079,1335 0.037,1336 8.805,1337 4.124,1338 0.204,1339 106.018,1340 0.193,1341 33.242,1342 0.312,1343 184,1344 398.316,1345 195.841,1346 390.204,1347 550.74,1348 372,1349 213,1350 412.962,1351 226.23,1352 422.116,1353 615.72,1354 398,1355 9.2} {0 CHEMBL515472,1 1.519,2 13.586,3 4.421,4 19.546,5 109.922,6 6.992,7 0.387,8 4.137,9 4.253,10 3.632,11 3.627,12 5.198,13 3.603,14 4.721,15 4.902,16 3.946,17 4.013,18 5.741,19 3.965,20 5,21 5.216,22 4.065,23 4.188,24 6.029,25 4.106,26 5.09,27 5.317,28 4.003,29 4.22,30 6.04,31 4.107,32 5.153,33 5.403,34 3.981,35 4.22,36 6.072,37 4.097,38 5.11,39 5.356,40 3.926,41 4.186,42 6.058,43 4.059,44 5.084,45 5.347,46 3.784,47 4.108,48 5.988,49 3.956,50 4.999,51 5.295,52 3.59,53 3.938,54 5.947,55 3.766,56 0.051,57 0.901,58 13.002,59 6.042,60 13.263,61 7.613,62 0.331,63 1.442,64 25.521,65 9.618,66 40.59,67 12.518,68 0.664,69 1.738,70 34.897,71 12.627,72 72.581,73 16.924,74 0.554,75 1.736,76 38.106,77 13.849,78 72.437,79 18.942,80 0.74,81 1.768,82 41.519,83 14.099,84 79.942,85 19.776,86 0.72,87 1.808,88 39.892,89 13.755,90 86.183,91 18.877,92 0.69,93 1.737,94 39.253,95 13.341,96 81.685,97 18.567,98 0.776,99 1.553,100 37.203,101 12.01,102 109.588,103 16.944,104 23,105 41,106 0.251,107 0.558,108 0.785,109 0.845,110 0.853,111 0.853,112 3.407,113 0.98,114 -4.83,115 -4.74,116 -4.45,119 39.7,121 3,122 1,124 1,125 5,127 1,140 7,141 2,142 3,169 10,172 5,176 2,178 10,181 1,182 6,186 3,189 8,193 5,195 1,197 1,199 5,203 6,206 2,208 1,211 6,215 3,222 7,225 1,226 1,231 1,233 7,236 1,237 1,242 1,244 4,249 1,254 2,256 4,259 1448,260 19.861,261 19.861,262 19.861,263 19.861,264 19.861,265 18.358,266 23.451,267 11.977,268 20.432,269 15.175,270 15.175,271 15.175,272 15.175,273 15.175,274 12.894,275 24.941,276 5.528,277 16.055,278 4.339,279 2.488,280 1.115,281 0.75,282 0.703,283 0.703,284 4.091,288 1,289 1,290 827,291 3.536,295 325.465,302 2.181,303 37.357,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64.5,315 394,316 4.434,317 3.469,318 6.741,319 4.115,320 3.15,321 4.058,322 0.86,323 10.93,324 3.039,325 4.015,326 3.011,327 6.042,328 3.683,329 2.726,330 3.615,331 0.86,332 8.564,333 2.612,334 3.81,335 2.95,336 5.459,337 3.598,338 2.62,339 2.935,340 0.8,341 7.274,342 2.557,343 3.506,344 2.804,345 5.327,346 3.317,347 2.391,348 2.723,349 0.765,350 6.847,351 2.205,352 3.372,353 2.523,354 5.104,355 3.029,356 2.08,357 2.516,359 5.877,360 1.953,361 3.084,362 2.37,363 4.876,364 2.859,365 1.915,366 2.151,368 5.641,369 1.8,370 2.917,371 2.025,372 4.25,373 2.471,374 1.53,375 2.086,377 3.642,378 1.439,379 2.504,380 1.881,381 3.739,382 2.354,383 1.439,384 1.505,386 2.92,387 1.288,388 2.5,389 1.458,390 3.449,391 2,392 1.06,393 1.5,395 2.347,396 1,397 2.161,398 1.098,399 3.414,400 1.984,401 1,402 1.14,404 2.275,405 0.983,406 2,407 1.077,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.968,415 1.844,416 1,417 3.204,418 1.689,419 0.74,420 0.797,422 1.66,423 0.695,424 1.662,425 0.994,426 2.916,427 1.415,428 0.522,429 0.579,431 0.99,432 0.461,433 1.323,434 0.922,435 2.473,436 1.046,437 0.23,438 0.246,440 0.336,441 0.184,442 1.111,443 0.388,444 2.416,445 0.833,446 -0.097,447 -0.11,449 -0.215,450 -0.088,451 13.471,452 0.465,453 0.554,454 0.019,455 31,456 1.069,457 13,458 0.448,459 18,460 0.621,461 28.546,462 0.984,463 33.929,464 0.585,465 23.625,466 0.815,467 6.272,468 0.216,469 7.846,470 0.271,471 0.104,473 0.29,474 1,477 1,479 0.704,480 1.137,481 0.822,482 1.232,483 0.625,484 1.096,485 1.015,486 0.982,487 1.004,488 1.028,489 0.774,490 1.009,491 0.823,492 0.91,493 0.97,494 1.039,495 0.749,496 1.036,497 0.771,498 0.893,499 0.991,500 1.135,501 0.693,502 1.129,503 0.768,504 0.761,505 0.932,506 0.948,507 0.583,508 0.983,509 0.876,510 0.912,511 1.04,512 1.045,513 0.785,514 1.08,515 0.843,516 0.887,517 1.031,518 1.039,519 0.807,520 1.083,521 0.821,522 0.867,523 0.93,524 0.888,525 0.896,526 0.93,527 5,528 0.132,529 3.333,530 1.563,531 1.658,532 0.972,533 0.484,534 0.403,535 0.271,536 0.151,537 11341,538 33369,539 2.033,540 50,542 21,545 1,547 7,550 1.715,551 1.912,552 3.678,553 -0.371,555 1,559 88.085,560 1.519,561 3.37,562 4.743,563 5.108,564 5.155,565 5.155,566 3.25,567 4.582,568 4.824,569 3.856,570 1565.68,571 8.383,572 22114.4,574 1,576 1,577 339.763,578 1.358,579 4.792,580 0.161,581 0.007,582 0.081,583 0.036,584 0.041,585 0.025,586 0.013,587 0.013,588 0.011,589 0.007,590 0.396,591 0.33,592 1,593 1.163,594 150.228,595 -0.031,596 -0.087,597 0.038,598 -0.05,599 -0.039,600 -0.001,601 -0.127,602 0.02,603 -0.068,604 0.023,605 -0.045,606 0.003,607 0.045,608 0.035,609 -0.025,610 -0.023,611 0.032,612 -0.033,613 -0.005,614 -0.101,615 -0.067,616 -0.137,617 -0.01,618 -0.122,619 0.005,620 -0.042,621 0.006,622 0.002,623 0.013,624 -0.001,625 -0.023,626 -0.057,627 -0.088,628 -0.071,629 -0.031,630 -0.093,631 -0.015,632 -0.054,633 -0.077,634 -0.083,635 -0.044,636 -0.1,637 0.049,639 0.05,640 0.037,641 0.032,642 0.039,643 2.077,644 5.013,645 0.621,646 33.786,647 1.006,648 1.139,649 3.596,650 12.93,651 0.632,652 3.466,653 3.738,654 3.989,655 4.19,656 4.407,657 4.369,658 4.407,659 4.489,660 4.585,661 4.575,662 7.647,663 0.601,664 405.53,665 3.466,666 4.977,667 5.808,668 6.661,669 7.512,670 8.37,671 9.229,672 10.091,673 10.953,674 11.819,675 1.7,678 1,688 7,693 5,695 12,712 2,713 1,714 58,716 12,717 2,718 31,720 60,721 23,722 12,723 5,724 7,727 1,730 3,731 3,736 1,740 2,741 1,743 4,745 12,746 11,747 1,761 1,762 2,764 29,765 6,766 1,767 6,773 1,777 1,778 3,780 1,793 3,815 1,817 1,819 3,823 1,825 2,827 29,832 1,833 8,835 2,837 2,838 1,846 2,847 5.2,848 1,852 2,854 15.167,855 10.269,856 6.694,857 3.529,858 2.034,859 1.279,860 0.917,861 8.136,862 9.336,863 3.638,864 4.127,865 4.615,866 5.067,867 5.529,868 5.477,869 5.567,870 5.704,871 5.849,872 5.903,873 1,874 44,875 10.83,877 4.558,878 7.914,879 20.685,881 16.911,883 2.414,884 70,886 1,887 1,888 329.591,889 130.179,890 3.124,892 64.683,893 29.92,895 130.179,896 394.274,897 33.045,898 10.883,899 26.983,900 109.017,902 51.103,903 29.92,904 329.591,906 329.591,907 133.303,908 94.603,911 277.113,912 104.397,913 42.683,915 30.107,916 103.196,919 359.511,920 67.807,921 130.179,924 329.591,925 52.962,926 80.341,928 94.603,929 329.591,930 97.728,931 130.179,933 0.563,934 0.334,935 0.178,936 0.101,937 17,938 8,939 0.133,940 8,942 1,943 4.103,944 238.648,946 18,947 132.881,951 21.855,952 10.796,953 5.832,955 97.728,956 12.015,961 2.542,963 42.683,964 557.497,965 37,975 58.363,976 66.034,977 0.259,978 0.575,979 0.81,980 0.872,981 0.88,982 0.88,983 4.86,984 1.439,985 5.765,986 3.642,987 4.419,988 4.812,989 1.806,990 6.535,991 4.32,992 6.005,993 1.06,994 7.3,995 2.92,996 3.892,997 4.46,998 0.325,999 7.398,1000 3.737,1001 7.276,1002 1,1003 8.939,1004 2.347,1005 5.969,1006 6.86,1007 1.466,1008 10.482,1009 5.797,1010 8.581,1011 1,1012 10.64,1013 2.275,1014 6.293,1015 7.349,1016 0.268,1017 12.21,1018 6.065,1019 9.922,1020 0.74,1021 12.384,1022 2.275,1023 7.8,1024 9.227,1025 1.19,1026 14.824,1027 7.563,1028 11.287,1029 0.522,1030 14.157,1031 1.66,1032 8.528,1033 10.119,1034 0.188,1035 16.917,1036 8.238,1037 12.671,1038 0.23,1039 15.953,1040 0.99,1041 9.8,1042 11.768,1043 0.955,1044 19.38,1045 9.497,1046 3.15,1047 -0.097,1048 17.767,1049 0.336,1050 10.729,1051 12.874,1052 0.125,1053 21.635,1054 10.377,1055 2.726,1056 10.93,1057 19.595,1058 -0.215,1059 11.904,1060 14.405,1061 0.756,1062 24.049,1063 11.533,1064 2.62,1065 8.564,1066 21.434,1067 4.058,1068 12.932,1069 15.632,1070 0.082,1071 26.376,1072 12.518,1073 2.391,1074 7.274,1075 23.284,1076 3.615,1077 14.071,1078 17.1,1079 0.59,1080 28.772,1081 13.632,1082 2.08,1083 6.847,1084 25.142,1085 2.935,1086 15.151,1087 18.395,1088 0.054,1089 31.132,1090 14.671,1091 1.915,1092 5.877,1093 27.007,1094 2.723,1095 16.279,1096 19.828,1097 0.454,1098 33.523,1099 15.77,1100 1.53,1101 5.641,1102 28.878,1103 2.516,1104 17.385,1105 21.164,1106 0.035,1107 35.899,1108 16.838,1109 11119,1110 19169,1111 20.572,1112 36.665,1113 44.844,1114 46.379,1115 47.096,1116 44.803,1117 44.809,1118 53.7,1119 6.569,1120 123.157,1121 42.368,1122 5.434,1123 5.469,1124 6.604,1125 5.15,1126 5.15,1127 7.058,1128 1.72,1129 18.301,1130 5.039,1131 14.523,1132 1.447,1133 1.496,1134 1.519,1135 1.445,1136 1.445,1137 1.732,1138 0.212,1139 3.973,1140 1.367,1141 4.005,1142 4.039,1143 3.938,1144 3.909,1145 8.202,1146 3.911,1147 3.919,1148 3.944,1149 3.863,1150 3.848,1151 8.195,1152 3.847,1153 3.801,1154 3.848,1155 3.697,1156 3.668,1157 6.449,1158 3.667,1159 3.51,1160 3.57,1161 3.382,1162 3.285,1163 4.9,1164 3.293,1165 3.416,1166 3.481,1167 3.281,1168 3.239,1169 4.641,1170 3.239,1171 3.249,1172 3.315,1173 3.065,1174 2.997,1175 4.452,1176 3,1177 3.165,1178 3.22,1179 3.036,1180 2.949,1181 4.311,1182 2.958,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.257,1188 2.91,1189 0.143,1190 0.112,1191 0.217,1192 0.133,1193 0.102,1194 4.434,1195 0.131,1196 3.469,1197 0.028,1198 6.741,1199 0.353,1200 4.115,1201 0.098,1202 3.15,1203 4.058,1204 0.86,1205 10.93,1206 3.039,1207 1.947,1208 1.92,1209 2.095,1210 2.079,1211 1.467,1212 2.086,1213 1.908,1214 1.884,1215 2.023,1216 2.006,1217 1.224,1218 2.01,1219 1.783,1220 1.736,1221 1.939,1222 1.934,1223 1.097,1224 1.937,1225 1.443,1226 1.383,1227 1.709,1228 1.709,1229 0.935,1230 1.708,1231 1.4,1232 1.335,1233 1.655,1234 1.604,1235 0.874,1236 1.623,1237 1.198,1238 1.126,1239 1.573,1240 1.512,1241 0.825,1242 1.532,1243 1.153,1244 1.07,1245 1.513,1246 1.376,1247 0.628,1248 1.429,1249 1.127,1250 1.064,1251 1.387,1252 1.369,1253 0.574,1254 1.375,1255 4.143,1257 5.425,1259 6.913,1261 8.494,1263 10.122,1265 1.534,1267 25.466,1270 10.964,1271 4.757,1273 10.869,1275 -0.527,1276 2.38,1280 34.834,1281 88.085,1282 195.466,1283 275.092,1284 296.253,1285 299.008,1286 299.008,1287 71.91,1288 7.302,1289 41.93,1290 41.93,1291 18,1292 12.366,1293 3.7,1294 2.807,1295 52.767,1296 132,1297 144,1298 0.193,1299 212.829,1300 381.25,1301 511.063,1302 15238,1303 3.4,1304 20.64,1305 0.712,1306 0.58,1307 19.062,1308 16.82,1309 14.118,1310 0.455,1311 0.327,1312 9.94,1313 13.407,1314 9.75,1315 8.006,1316 13.224,1317 10.126,1318 11.912,1319 0.291,1320 0.181,1321 10.937,1322 7.416,1323 10.097,1324 0.191,1325 0.105,1326 9.417,1327 5.576,1328 7.949,1329 0.122,1330 0.06,1331 7.711,1332 3.931,1333 6.559,1334 0.081,1335 0.036,1336 6.117,1337 2.882,1338 0.311,1339 89.846,1340 0.22,1341 28.11,1342 0.508,1343 144,1344 525.488,1345 161.104,1346 439.586,1347 571.61,1348 414,1349 166,1350 378.385,1351 182.76,1352 372.868,1353 545.33,1354 350,1355 5.974} {0 CHEMBL516088,1 1.536,2 13.586,3 4.674,4 21.85,5 109.297,6 7.206,7 0.387,8 4.102,9 4.214,10 3.627,11 3.613,12 5.184,13 3.591,14 4.684,15 4.864,16 3.939,17 3.989,18 5.726,19 3.946,20 4.949,21 5.159,22 4.056,23 4.149,24 6.032,25 4.078,26 4.999,27 5.215,28 3.988,29 4.158,30 6.033,31 4.061,32 5.042,33 5.277,34 3.965,35 4.155,36 6.042,37 4.048,38 5.021,39 5.251,40 3.914,41 4.136,42 6.03,43 4.023,44 5.014,45 5.265,46 3.775,47 4.063,48 5.982,49 3.925,50 4.92,51 5.204,52 3.578,53 3.889,54 5.932,55 3.73,56 0.042,57 0.876,58 11.863,59 5.812,60 10.186,61 7.197,62 0.334,63 1.407,64 24.021,65 9.267,66 40.271,67 11.811,68 0.684,69 1.679,70 32.799,71 12,72 74.406,73 15.723,74 0.541,75 1.636,76 34.317,77 12.793,78 77.654,79 17.055,80 0.681,81 1.654,82 36.704,83 12.969,84 81.34,85 17.688,86 0.687,87 1.725,88 36.025,89 12.907,90 87.731,91 17.166,92 0.692,93 1.68,94 36.507,95 12.651,96 82.806,97 17.164,98 0.746,99 1.481,100 34.477,101 11.385,102 117.023,103 15.8,104 23,105 41,106 0.255,107 0.56,108 0.781,109 0.843,110 0.843,111 0.843,112 3.407,113 0.967,114 -5.01,115 -4.91,116 -4.61,119 41.1,121 3,122 1,124 1,125 5,140 7,141 2,142 3,155 1,169 10,172 7,178 10,181 1,182 9,189 8,192 1,193 6,199 5,202 2,203 7,211 6,215 3,222 7,225 1,226 2,233 7,236 1,237 2,244 4,249 3,256 4,259 1448,260 19.861,261 19.861,262 19.861,263 19.861,264 19.861,265 18.266,266 24.267,267 11.977,268 20.382,269 15.175,270 15.175,271 15.175,272 15.175,273 15.175,274 12.69,275 28.462,276 5.528,277 15.938,278 4.271,279 2.437,280 1.106,281 0.728,282 0.728,283 0.728,284 4.091,288 1,289 1,290 827,291 3.536,295 325.465,302 2.181,303 39.211,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64.5,315 394,316 4.474,317 3.757,318 6.741,319 4.139,320 3.15,321 4.112,322 1.277,323 10.93,324 3.125,325 4.015,326 3.183,327 6.042,328 3.691,329 2.726,330 3.615,331 0.86,332 8.564,333 2.625,334 3.899,335 2.962,336 5.459,337 3.602,338 2.62,339 3.149,340 0.86,341 7.274,342 2.57,343 3.524,344 2.836,345 5.327,346 3.33,347 2.391,348 2.725,349 0.8,350 6.847,351 2.233,352 3.377,353 2.525,354 5.104,355 3.03,356 2.08,357 2.518,359 5.877,360 1.957,361 3.101,362 2.415,363 4.876,364 2.859,365 1.915,366 2.194,368 5.641,369 1.801,370 2.917,371 2.03,372 4.25,373 2.472,374 1.53,375 2.086,377 3.642,378 1.439,379 2.541,380 1.972,381 3.739,382 2.364,383 1.439,384 1.524,386 2.92,387 1.303,388 2.5,389 1.726,390 3.449,391 2.046,392 1.06,393 1.5,395 2.347,396 1.027,397 2.37,398 1.233,399 3.414,400 2,401 1,402 1.271,404 2.275,405 1,406 2,407 1.077,408 3.414,409 1.984,410 1,411 1,413 2.275,414 0.983,415 1.844,416 1.001,417 3.204,418 1.695,419 0.74,420 0.797,422 1.66,423 0.699,424 1.782,425 1,426 2.916,427 1.462,428 0.522,429 0.628,431 0.99,432 0.484,433 1.328,434 0.986,435 2.473,436 1.047,437 0.23,438 0.246,440 0.336,441 0.184,442 1.128,443 0.438,444 2.416,445 0.845,446 -0.097,447 -0.112,449 -0.215,450 -0.089,451 13.471,452 0.465,453 0.554,454 0.019,455 32.5,456 1.121,457 14.5,458 0.5,459 18,460 0.621,461 26.882,462 0.927,463 33.329,464 0.595,465 25.288,466 0.872,467 6.613,468 0.228,469 7.505,470 0.259,471 0.104,473 0.29,474 1,477 1,479 0.625,480 1.125,481 0.772,482 1.225,483 0.516,484 1.08,485 0.978,486 0.958,487 0.968,488 0.997,489 0.713,490 0.975,491 0.844,492 0.884,493 0.957,494 0.998,495 0.789,496 0.998,497 0.79,498 0.891,499 0.985,500 1.126,501 0.82,502 1.117,503 0.764,504 0.784,505 0.933,506 0.971,507 0.692,508 1,509 0.894,510 0.944,511 1.066,512 1.08,513 0.86,514 1.116,515 0.885,516 0.901,517 1.07,518 1.056,519 0.874,520 1.109,521 0.805,522 0.867,523 0.945,524 0.91,525 0.879,526 0.957,527 5,528 0.132,529 3.333,530 1.563,531 1.658,532 0.972,533 0.484,534 0.403,535 0.271,536 0.151,537 11341,538 34430,539 2.033,540 48.2,542 20,546 1,547 6,550 1.715,551 1.912,552 3.678,553 -0.785,559 86.033,560 1.536,561 3.37,562 4.702,563 5.08,564 5.08,565 5.08,566 3.25,567 4.582,568 4.824,569 3.856,570 1565.68,571 8.383,572 22114.4,574 1,577 325.212,578 1.358,579 4.792,580 0.161,581 0.007,582 0.081,583 0.036,584 0.041,585 0.025,586 0.013,587 0.013,588 0.011,589 0.007,590 0.396,591 0.33,592 1,593 1.163,594 150.228,595 -0.009,596 -0.102,597 0.047,598 -0.076,599 -0.007,600 -0.015,601 -0.119,602 0.026,603 -0.051,604 0.033,605 -0.035,606 0.019,607 0.041,608 0.053,609 -0.013,610 0.002,611 0.021,612 -0.009,613 -0.007,614 -0.096,615 -0.063,616 -0.132,617 -0.021,618 -0.116,619 0.01,620 -0.052,621 0.003,622 -0.011,623 0.005,624 -0.012,625 -0.028,626 -0.072,627 -0.116,628 -0.098,629 -0.05,630 -0.127,631 -0.03,632 -0.057,633 -0.108,634 -0.097,635 -0.06,636 -0.125,637 0.052,638 -0.013,639 0.042,640 0.024,641 0.048,642 0.025,643 2.099,644 6.06,645 0.621,646 33.786,647 1.009,648 1.136,649 3.784,650 14.319,651 0.641,652 3.466,653 3.738,654 3.989,655 4.19,656 4.407,657 4.369,658 4.407,659 4.489,660 4.585,661 4.575,662 7.647,663 0.613,664 403.51,665 3.466,666 4.977,667 5.808,668 6.661,669 7.512,670 8.37,671 9.229,672 10.091,673 10.953,674 11.819,675 1.8,678 1,688 7,693 5,695 12,700 1,712 2,713 1,714 56,716 13,717 2,718 31,720 58,721 23,722 12,723 5,724 7,725 1,727 1,730 3,731 3,736 1,740 2,741 1,743 3,745 13,746 10,747 1,750 1,755 1,759 1,761 1,762 2,764 27,765 6,767 6,773 1,777 1,778 3,793 3,815 1,819 3,823 1,825 2,827 29,833 8,835 2,837 1,838 1,846 2,847 5.4,850 1,852 2,854 15.167,855 10.152,856 6.694,857 3.456,858 2.051,859 1.281,860 0.945,861 7.879,862 9.354,863 3.664,864 4.159,865 4.663,866 5.116,867 5.578,868 5.543,869 5.663,870 5.759,871 5.902,872 5.941,873 1,874 44,875 10.83,877 4.563,878 7.96,879 20.564,881 16.7,883 2.46,884 71.333,886 1,887 1,888 317.82,889 135.312,890 3.124,892 47.145,893 29.92,895 135.312,896 364.964,897 33.045,898 10.883,899 26.983,900 66.334,901 30.278,902 51.103,903 29.92,904 317.82,906 317.82,907 138.437,908 77.065,911 277.113,912 117.771,915 30.107,916 108.329,919 347.74,920 50.269,921 135.312,924 317.82,925 58.096,926 80.341,928 77.065,929 317.82,930 80.189,931 135.312,933 0.563,934 0.334,935 0.178,936 0.101,937 17,938 8,939 0.138,940 8,942 1,943 4.103,944 238.648,946 18,947 132.881,951 21.576,952 10.591,953 5.696,955 80.189,956 11.763,961 2.16,964 533.321,965 38,970 13.06,974 0.047,975 56.48,976 63.619,977 0.265,978 0.58,979 0.81,980 0.875,981 0.875,982 0.875,983 4.883,984 1.439,985 5.765,986 3.642,987 4.419,988 4.844,989 2.102,990 6.535,991 4.341,992 6.037,993 1.06,994 7.3,995 2.92,996 3.892,997 4.527,998 0.325,999 7.398,1000 3.793,1001 7.313,1002 1,1003 8.939,1004 2.347,1005 5.969,1006 6.913,1007 2.195,1008 10.482,1009 5.845,1010 8.625,1011 1,1012 10.64,1013 2.275,1014 6.293,1015 7.443,1016 0.268,1017 12.21,1018 6.163,1019 9.974,1020 0.74,1021 12.384,1022 2.275,1023 7.8,1024 9.301,1025 2.449,1026 14.824,1027 7.652,1028 11.346,1029 0.522,1030 14.157,1031 1.66,1032 8.528,1033 10.229,1034 0.188,1035 16.917,1036 8.38,1037 12.738,1038 0.23,1039 15.953,1040 0.99,1041 9.8,1042 11.862,1043 2.807,1044 19.38,1045 9.641,1046 3.15,1047 -0.097,1048 17.767,1049 0.336,1050 10.729,1051 12.999,1052 0.125,1053 21.635,1054 10.571,1055 2.726,1056 10.93,1057 19.595,1058 -0.215,1059 11.904,1060 14.522,1061 3.225,1062 24.049,1063 11.739,1064 2.62,1065 8.564,1066 21.434,1067 4.112,1068 12.932,1069 15.774,1070 0.082,1071 26.376,1072 12.769,1073 2.391,1074 7.274,1075 23.284,1076 3.615,1077 14.071,1078 17.239,1079 3.677,1080 28.772,1081 13.903,1082 2.08,1083 6.847,1084 25.142,1085 3.149,1086 15.151,1087 18.556,1088 0.054,1089 31.132,1090 14.982,1091 1.915,1092 5.877,1093 27.007,1094 2.725,1095 16.279,1096 19.993,1097 4.146,1098 33.523,1099 16.107,1100 1.53,1101 5.641,1102 28.878,1103 2.518,1104 17.385,1105 21.348,1106 0.035,1107 35.899,1108 17.211,1109 11119,1110 19478,1111 20.572,1112 35.904,1113 45.019,1114 47.23,1115 47.096,1116 44.797,1117 44.809,1118 54.73,1119 7.595,1120 123.157,1121 42.856,1122 5.474,1123 5.757,1124 6.604,1125 5.174,1126 5.15,1127 7.112,1128 2.555,1129 18.301,1130 5.125,1131 14.523,1132 1.452,1133 1.524,1134 1.519,1135 1.445,1136 1.445,1137 1.765,1138 0.245,1139 3.973,1140 1.382,1141 4.005,1142 4.035,1143 3.947,1144 3.908,1145 8.202,1146 3.913,1147 3.92,1148 3.943,1149 3.864,1150 3.848,1151 8.195,1152 3.847,1153 3.801,1154 3.848,1155 3.699,1156 3.668,1157 7.426,1158 3.667,1159 3.511,1160 3.568,1161 3.39,1162 3.284,1163 4.898,1164 3.295,1165 3.415,1166 3.477,1167 3.29,1168 3.239,1169 4.641,1170 3.239,1171 3.249,1172 3.315,1173 3.068,1174 2.992,1175 4.452,1176 3.002,1177 3.155,1178 3.206,1179 3.052,1180 2.947,1181 4.305,1182 2.959,1183 3.111,1184 3.194,1185 2.866,1186 2.941,1187 4.256,1188 2.91,1189 0.144,1190 0.121,1191 0.217,1192 0.134,1193 0.102,1194 4.474,1195 0.133,1196 3.757,1197 0.041,1198 6.741,1199 0.353,1200 4.139,1201 0.101,1202 3.15,1203 4.112,1204 1.277,1205 10.93,1206 3.125,1207 1.943,1208 1.919,1209 2.086,1210 2.074,1211 1.435,1212 2.08,1213 1.907,1214 1.884,1215 2.017,1216 2.004,1217 1.212,1218 2.007,1219 1.783,1220 1.736,1221 1.938,1222 1.934,1223 1.075,1224 1.937,1225 1.44,1226 1.381,1227 1.707,1228 1.706,1229 0.928,1230 1.705,1231 1.398,1232 1.334,1233 1.65,1234 1.597,1235 0.87,1236 1.616,1237 1.197,1238 1.126,1239 1.573,1240 1.512,1241 0.825,1242 1.532,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.574,1248 1.429,1249 1.097,1250 1.055,1251 1.315,1252 1.32,1253 0.546,1254 1.316,1255 4.143,1257 5.425,1259 6.913,1261 8.494,1263 10.122,1265 1.493,1267 25.441,1271 4.332,1273 10.767,1275 -0.067,1276 2.338,1280 34.308,1281 86.033,1282 188.715,1283 263.296,1284 284.457,1285 284.457,1286 284.457,1287 73.649,1288 7.302,1289 38.77,1290 38.77,1291 18,1292 12.366,1293 3.807,1294 3,1295 52.767,1296 132,1297 144,1298 0.193,1299 209.902,1300 378.61,1301 503.92,1302 15238,1303 3.6,1304 20.64,1305 0.712,1306 0.576,1307 19.062,1308 16.704,1309 14.118,1310 0.455,1311 0.322,1312 9.806,1313 13.407,1314 9.614,1315 7.896,1316 13.224,1317 9.988,1318 11.912,1319 0.291,1320 0.176,1321 10.937,1322 7.231,1323 10.097,1324 0.191,1325 0.101,1326 9.417,1327 5.372,1328 7.949,1329 0.122,1330 0.058,1331 7.711,1332 3.76,1333 6.559,1334 0.081,1335 0.034,1336 6.117,1337 2.739,1338 0.311,1339 89.846,1340 0.22,1341 28.11,1342 0.508,1343 144,1344 547.074,1345 161.104,1346 459.795,1347 596.69,1348 432,1349 166,1350 395.749,1351 182.76,1352 390.011,1353 569.03,1354 366,1355 6.147} {0 CHEMBL516997,1 1.325,2 15.515,3 5.446,4 29.663,5 133.418,6 6.838,7 0.622,8 4.234,9 4.355,10 3.748,11 3.831,12 5.224,13 3.782,14 4.793,15 4.974,16 4.074,17 4.23,18 5.701,19 4.156,20 5.077,21 5.3,22 4.116,23 4.392,24 5.91,25 4.275,26 5.146,27 5.399,28 4.005,29 4.374,30 5.91,31 4.219,32 5.13,33 5.397,34 3.926,35 4.312,36 5.867,37 4.154,38 5.035,39 5.292,40 3.841,41 4.237,42 5.775,43 4.076,44 4.991,45 5.262,46 3.773,47 4.174,48 5.699,49 4.012,50 4.905,51 5.156,52 3.745,53 4.149,54 5.63,55 3.987,56 0.057,57 0.879,58 14.128,59 6.196,60 10.273,61 8.497,62 0.19,63 1.492,64 26.209,65 10.282,66 21.998,67 14.361,68 0.329,69 1.9,70 35.923,71 13.973,72 32.817,73 19.698,74 0.296,75 1.947,76 38.936,77 15.905,78 34.016,79 22.449,80 0.303,81 1.892,82 38.95,83 15.353,84 34.86,85 21.651,86 0.246,87 1.755,88 34.979,89 13.893,90 31.28,91 19.727,92 0.297,93 1.691,94 33.86,95 12.969,96 29.154,97 18.576,98 0.19,99 1.565,100 30.33,101 12.309,102 21.942,103 17.57,104 2,105 50,106 0.21,107 0.52,108 0.752,109 0.864,110 0.874,111 0.874,112 3.531,113 0.969,114 -4.92,115 -4.82,116 -4.52,119 45.3,120 1,121 3,122 1,125 4,140 11,141 4,142 1,143 2,144 2,169 17,172 10,178 21,181 1,182 7,189 18,192 1,193 6,199 18,203 7,211 12,215 8,222 8,225 1,226 6,233 7,237 5,244 8,249 6,256 8,259 1931,260 22.947,261 22.947,262 22.947,263 22.947,264 22.947,265 20.223,266 17.784,267 13.856,268 23.325,269 18.335,270 18.335,271 18.335,272 18.335,273 18.335,274 14.357,275 16.835,276 6.642,277 18.928,278 4.675,279 2.718,280 1.255,281 0.543,282 0.481,283 0.481,284 4.247,289 1,290 1141,291 2.915,295 538.248,299 167.044,302 2.498,303 14.867,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68.5,315 512,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.268,326 2.98,327 6.17,328 3.902,329 2.905,330 3.915,331 0.8,332 9.188,333 2.898,334 3.824,335 2.865,336 5.599,337 3.654,338 2.68,339 3.282,341 7.717,342 2.622,343 3.718,344 2.636,345 5.338,346 3.369,347 2.411,348 3.17,350 6.925,351 2.308,352 3.593,353 2.584,354 5.306,355 3.283,356 2.332,357 2.67,359 6.707,360 2.216,361 3.304,362 2.178,363 4.964,364 3.043,365 2.071,366 2.625,368 5.881,369 2.001,370 3.258,371 2.097,372 4.813,373 2.846,374 1.888,375 2.479,377 5.291,378 1.802,379 3.058,380 1.77,381 4.369,382 2.698,383 1.723,384 2.22,386 4.296,387 1.68,388 2.989,389 1.597,390 4.196,391 2.512,392 1.524,393 2.124,395 3.817,396 1.504,397 2.728,398 1.462,399 3.549,400 2.269,401 1.284,402 1.824,404 2.819,405 1.265,406 2.5,407 1.304,408 3.52,409 2.152,410 1.216,411 1.5,413 2.702,414 1.127,415 2.5,416 1.077,417 3.429,418 1.992,419 1,420 1.5,422 2.387,423 0.991,424 2.49,425 1,426 3.414,427 1.984,428 1,429 1.487,431 2.275,432 0.983,433 2.136,434 1,435 3.312,436 1.954,437 1,438 1.08,440 2.136,441 0.951,442 2,443 0.963,444 3.247,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.033,452 0.486,453 0.602,454 0.018,455 43.25,456 1.311,457 22.5,458 0.682,459 20.75,460 0.629,461 28.947,462 0.877,463 34.367,464 0.537,465 29.643,466 0.898,467 8.271,468 0.251,469 7.971,470 0.242,471 0.031,473 0.274,479 0.845,480 1.244,481 0.854,482 1.075,483 0.795,484 0.983,485 1.343,486 1.085,487 1.008,488 0.987,489 0.936,490 0.97,491 1.255,492 0.993,493 1.081,494 1.009,495 1.024,496 1.026,497 0.888,498 1.029,499 1,500 1.078,501 0.798,502 1.057,503 1.229,504 0.932,505 0.983,506 0.95,507 1.079,508 0.954,509 1.068,510 1.092,511 1.057,512 1.082,513 1.056,514 1.076,515 1.125,516 0.914,517 1.029,518 0.938,519 1.06,520 0.971,521 0.841,522 1.124,523 1.07,524 1.123,525 0.954,526 1.118,527 5.5,528 0.161,529 2.889,530 1.563,531 1.262,532 0.674,533 0.604,534 0.307,535 0.151,536 0.178,537 19733,538 41910,539 2.187,540 48.4,541 3,542 19,544 2,546 3,547 4,550 1.744,551 2.129,552 3.879,553 -0.871,559 84.784,560 1.325,561 3.282,562 4.745,563 5.457,564 5.519,565 5.519,566 3.363,567 4.537,568 5.019,569 4.086,570 2157.45,571 8.739,572 35112.6,577 384,578 1.027,579 5.01,580 0.149,581 0.007,582 0.058,583 0.031,584 0.029,585 0.017,586 0.017,587 0.009,588 0.005,589 0.006,590 0.327,591 0.33,592 0.88,593 0.306,594 180.759,595 0.055,596 -0.133,597 0.077,598 -0.039,599 0.087,600 0.01,601 -0.106,602 0.001,603 -0.03,605 0.055,606 -0.006,607 -0.049,608 0.035,609 -0.092,610 -0.028,611 -0.001,612 -0.056,613 0.084,614 -0.079,615 -0.02,616 -0.079,617 0.122,618 -0.061,619 -0.061,620 0.008,621 0.018,622 0.037,623 -0.064,624 0.032,625 -0.05,626 -0.132,627 -0.07,628 -0.096,629 -0.118,630 -0.089,631 -0.061,632 0.063,633 -0.032,634 0.031,635 -0.136,636 0.005,637 -0.039,638 -0.151,639 -0.101,640 -0.13,641 -0.143,642 -0.123,643 0.787,644 2.653,645 0.848,646 39.409,647 0.984,648 1.117,649 3.687,650 13.597,651 0.674,652 3.638,653 3.932,654 4.19,655 4.443,656 4.682,657 4.663,658 4.762,659 4.852,660 4.927,661 4.97,662 9.032,663 0.627,664 437.63,665 3.638,666 5.165,667 6.004,668 6.864,669 7.715,670 8.578,671 9.433,672 10.297,673 11.154,674 12.019,675 4.7,678 1,685 2,687 2,688 13,689 2,693 5,695 23,712 1,714 64,716 23,717 2,718 37,720 68,721 29,722 20,723 5,724 7,730 5,731 6,736 1,740 2,741 1,743 3,745 20,746 9,747 1,764 31,765 4,767 4,773 3,777 0.8,778 1,786 2,793 5,797 1,815 1,819 4,823 1,827 33,833 7,835 1,837 1,838 1,847 1.6,852 1,854 15.5,855 11.683,856 7.25,857 4.082,858 4.308,859 1.519,860 1.005,861 6.76,862 12.609,863 3.902,864 4.483,865 5.063,866 5.647,867 6.215,868 6.387,869 6.734,870 7.048,871 7.317,872 7.219,873 1,874 50,875 12.212,877 5.116,878 7.409,879 24.3,881 20.372,883 1.909,884 63,888 364.904,889 171.946,890 36.695,892 11,895 171.946,896 375.904,897 36.695,898 8.825,899 18.513,900 104.239,901 57.113,902 54.493,904 341.362,906 364.904,907 208.641,908 11,911 317.82,912 58.084,915 53.458,916 121.612,917 33.571,919 364.904,920 47.695,921 171.946,924 364.904,925 40.787,926 134.283,928 44.571,929 364.904,930 47.695,931 171.946,933 0.572,934 0.33,935 0.183,936 0.103,937 24,938 9,939 0.103,940 7,941 1,942 1.071,943 4.699,944 294.095,945 0.071,946 28,947 160.465,951 21.764,952 10.25,953 5.473,954 2.094,955 47.695,956 27.122,957 8.864,961 5.841,964 584.545,965 48.5,975 63.003,976 71.517,977 0.221,978 0.547,979 0.791,980 0.909,981 0.92,982 0.92,983 5.116,984 1.723,985 5.953,986 5.291,987 4.615,988 5.17,989 1.235,990 6.708,991 4.558,992 6.291,993 1.524,994 7.468,995 4.296,996 4.007,997 4.796,998 0.325,999 7.466,1000 3.931,1001 7.57,1002 1.284,1003 9.08,1004 3.817,1005 6.151,1006 7.341,1007 0.938,1008 10.556,1009 6.046,1010 8.884,1011 1.216,1012 10.753,1013 2.819,1014 6.382,1015 7.849,1016 0.268,1017 12.18,1018 6.264,1019 10.232,1020 1,1021 12.466,1022 2.702,1023 7.946,1024 9.831,1025 0.732,1026 14.757,1027 7.804,1028 11.606,1029 1,1030 14.207,1031 2.387,1032 8.595,1033 10.799,1034 0.188,1035 16.756,1036 8.441,1037 13,1038 1,1039 15.97,1040 2.275,1041 9.897,1042 12.516,1043 0.57,1044 19.153,1045 9.721,1046 3.054,1047 0.865,1048 17.749,1049 2.136,1050 10.762,1051 13.731,1052 0.125,1053 21.321,1054 10.574,1055 2.905,1056 10.248,1057 19.541,1058 1.999,1059 11.942,1060 15.32,1061 0.438,1062 23.655,1063 11.734,1064 2.68,1065 9.188,1066 21.343,1067 4.458,1068 12.92,1069 16.667,1070 0.082,1071 25.898,1072 12.697,1073 2.411,1074 7.717,1075 23.155,1076 3.915,1077 14.046,1078 18.195,1079 0.334,1080 28.212,1081 13.804,1082 2.332,1083 6.925,1084 24.974,1085 3.282,1086 15.081,1087 19.609,1088 0.054,1089 30.491,1090 14.82,1091 2.071,1092 6.707,1093 26.799,1094 3.17,1095 16.185,1096 21.111,1097 0.252,1098 32.801,1099 15.905,1100 1.888,1101 5.881,1102 28.63,1103 2.67,1104 17.249,1105 22.56,1106 0.035,1107 35.097,1108 16.949,1109 18015,1110 26387,1111 25.83,1112 43.131,1113 54.587,1114 54.68,1115 54.886,1116 54.411,1117 54.402,1118 71.21,1119 3.32,1120 150.011,1121 52.779,1122 5.516,1123 5.185,1124 6.319,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 8.232,1132 1.475,1133 1.478,1134 1.483,1135 1.471,1136 1.47,1137 1.925,1138 0.09,1139 4.054,1140 1.426,1141 4.082,1142 4.109,1143 4.04,1144 4.006,1145 5.018,1146 4.01,1147 4.009,1148 4.04,1149 3.95,1150 3.95,1151 4.928,1152 3.946,1153 3.86,1154 3.917,1155 3.753,1156 3.734,1157 4.667,1158 3.73,1159 3.715,1160 3.762,1161 3.631,1162 3.605,1163 4.579,1164 3.605,1165 3.548,1166 3.593,1167 3.447,1168 3.43,1169 4.327,1170 3.426,1171 3.437,1172 3.5,1173 3.289,1174 3.275,1175 4.211,1176 3.271,1177 3.154,1178 3.219,1179 3.022,1180 2.996,1181 3.891,1182 2.991,1183 3.111,1184 3.206,1185 2.901,1186 2.941,1187 3.84,1188 2.919,1189 0.122,1190 0.086,1191 0.176,1192 0.109,1193 0.083,1194 4.516,1195 0.12,1196 3.185,1197 0.023,1198 6.517,1199 0.277,1200 4.026,1201 0.08,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.123,1210 2.125,1211 1.479,1212 2.122,1213 1.995,1214 1.968,1215 2.105,1216 2.083,1217 1.223,1218 2.097,1219 1.848,1220 1.795,1221 2.019,1222 2.001,1223 1.186,1224 2.01,1225 1.7,1226 1.656,1227 1.849,1228 1.836,1229 1.028,1230 1.844,1231 1.538,1232 1.493,1233 1.749,1234 1.705,1235 0.887,1236 1.72,1237 1.435,1238 1.371,1239 1.695,1240 1.619,1241 0.825,1242 1.649,1243 1.153,1244 1.086,1245 1.513,1246 1.376,1247 0.804,1248 1.429,1249 1.149,1250 1.064,1251 1.44,1252 1.359,1253 0.674,1254 1.388,1255 4.317,1257 5.617,1259 7.117,1261 8.707,1263 10.341,1265 2.022,1271 7.618,1273 6.153,1275 0.749,1276 2.538,1280 40.154,1281 84.784,1282 210.027,1283 303.682,1284 349.245,1285 353.245,1286 353.245,1287 42.993,1288 8.301,1289 38.25,1290 38.25,1291 30,1292 12.567,1293 4.585,1294 3.644,1295 48.336,1296 185,1297 151,1298 0.125,1299 244.159,1300 417.61,1301 587.508,1302 61231,1304 22.46,1305 0.681,1306 0.584,1307 22.46,1308 19.283,1309 16.242,1310 0.439,1311 0.323,1312 11.856,1313 15.862,1314 11.542,1315 9.562,1316 16.242,1317 11.953,1318 14.277,1319 0.286,1320 0.181,1321 14.277,1322 9.055,1323 12.019,1324 0.185,1325 0.102,1326 12.019,1327 6.65,1328 10.166,1329 0.121,1330 0.057,1331 10.166,1332 4.798,1333 8.526,1334 0.08,1335 0.033,1336 8.526,1337 3.541,1338 0.207,1339 99.883,1340 0.197,1341 31.69,1342 0.317,1343 174,1344 400.671,1345 183.066,1346 397.522,1347 561.33,1348 378,1349 202,1350 421.497,1351 211.705,1352 432.694,1353 628.99,1354 409,1355 8.699} {0 CHEMBL517170,1 1.332,2 15.647,3 5.04,4 25.399,5 140.041,6 6.371,7 0.447,8 4.346,9 4.484,10 3.796,11 3.881,12 5.249,13 3.828,14 4.947,15 5.154,16 4.139,17 4.298,18 5.772,19 4.217,20 5.254,21 5.5,22 4.184,23 4.488,24 6.016,25 4.36,26 5.326,27 5.598,28 4.073,29 4.495,30 6.012,31 4.321,32 5.297,33 5.578,34 3.996,35 4.435,36 5.971,37 4.258,38 5.204,39 5.476,40 3.919,41 4.357,42 5.891,43 4.179,44 5.162,45 5.449,46 3.855,47 4.284,48 5.81,49 4.108,50 5.08,51 5.351,52 3.801,53 4.262,54 5.724,55 4.083,56 0.084,57 1.048,58 17.51,59 6.963,60 10.731,61 10.074,62 0.261,63 1.76,64 32.567,65 11.349,66 24.391,67 17.037,68 0.468,69 2.223,70 44.296,71 15.519,72 37.091,73 23.186,74 0.368,75 2.235,76 46.805,77 18.173,78 35.707,79 26.493,80 0.347,81 2.125,82 45.53,83 17.433,84 35.769,85 25.391,86 0.297,87 1.992,88 41.441,89 15.671,90 33.259,91 23.103,92 0.349,93 1.899,94 39.935,95 14.464,96 30.035,97 21.617,98 0.285,99 1.79,100 36.518,101 13.956,102 23.694,103 20.59,104 5,105 52,106 0.208,107 0.51,108 0.749,109 0.87,110 0.874,111 0.874,112 3.56,113 1.021,114 -4.62,115 -4.54,116 -4.27,119 40.3,120 2,121 3,122 1,125 7,127 1,140 9,141 2,142 2,144 2,169 12,172 10,176 1,178 15,181 1,182 8,184 1,189 11,192 1,193 6,199 11,203 6,208 2,211 7,215 8,220 2,222 5,225 1,226 4,231 2,233 6,236 1,237 2,242 1,244 7,249 5,254 2,256 10,259 2056,260 23.394,261 23.394,262 23.394,263 23.394,264 23.394,265 21.383,266 31.28,267 13.978,268 23.886,269 18.819,270 18.819,271 18.819,272 18.819,273 18.819,274 15.81,275 41.341,276 6.698,277 19.606,278 4.838,279 2.905,280 1.376,281 0.604,282 0.577,283 0.577,284 4.273,289 1,290 1180,291 3,295 557.231,299 173.646,302 2.533,303 16.608,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 71,315 532,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.184,326 3.167,327 6.192,328 3.886,329 2.929,330 3.732,331 0.8,332 9.276,333 2.816,334 3.748,335 2.912,336 5.605,337 3.658,338 2.692,339 3.17,340 0.8,341 7.741,342 2.599,343 3.715,344 2.726,345 5.345,346 3.413,347 2.459,348 2.89,349 0.4,350 6.962,351 2.344,352 3.563,353 2.598,354 5.312,355 3.289,356 2.339,357 2.636,359 6.71,360 2.219,361 3.309,362 2.408,363 5.072,364 3.171,365 2.216,366 2.597,368 6.187,369 2.109,370 3.28,371 2.169,372 4.891,373 2.942,374 1.974,375 2.351,377 5.621,378 1.904,379 3.079,380 2.072,381 4.813,382 2.841,383 1.882,384 2.219,386 5.291,387 1.798,388 2.989,389 1.607,390 4.196,391 2.512,392 1.524,393 2.111,395 3.818,396 1.504,397 2.717,398 1.559,399 4.172,400 2.396,401 1.421,402 1.791,404 3.698,405 1.383,406 2.49,407 1.459,408 3.528,409 2.187,410 1.232,411 1.487,413 2.716,414 1.178,415 2.452,416 1.358,417 3.493,418 2.149,419 1.195,420 1.445,422 2.62,423 1.126,424 2.137,425 1.116,426 3.456,427 1.984,428 1,429 1.106,431 2.406,432 0.983,433 2.12,434 1.077,435 3.414,436 1.955,437 1,438 1.079,440 2.275,441 0.953,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.433,452 0.483,453 0.708,454 0.021,455 39,456 1.147,457 17,458 0.5,459 22,460 0.647,461 35.092,462 1.032,463 37.567,464 0.522,465 26.676,466 0.785,467 7.216,468 0.212,469 9.42,470 0.277,471 0.061,473 0.292,479 0.949,480 1.429,481 0.942,482 1.196,483 0.928,484 1.087,485 1.432,486 1.182,487 1.045,488 1.019,489 0.948,490 0.996,491 1.359,492 0.963,493 1.125,494 0.985,495 1.141,496 1.022,497 0.856,498 1.017,499 0.996,500 1.074,501 0.816,502 1.055,503 1.072,504 0.952,505 0.968,506 0.984,507 1.064,508 0.978,509 0.989,510 1.116,511 1.049,512 1.109,513 1.085,514 1.093,515 1.049,516 0.959,517 1.001,518 0.959,519 0.973,520 0.975,521 0.864,522 1.028,523 1.083,524 1.088,525 0.917,526 1.101,527 6.5,528 0.169,529 3.111,530 1.75,531 1.533,532 0.729,533 0.667,534 0.335,535 0.201,536 0.218,537 21186,538 40112,539 2.163,540 52.8,541 3,542 24,545 1,546 3,547 7,550 1.752,551 2.082,552 3.893,553 -0.45,559 95.932,560 1.332,561 3.265,562 4.794,563 5.566,564 5.593,565 5.593,566 3.375,567 4.455,568 5.062,569 4.116,570 2308.86,571 8.826,572 38480.5,577 444.235,578 1.166,579 5.043,580 0.171,581 0.006,582 0.06,583 0.034,584 0.034,585 0.017,586 0.018,587 0.009,588 0.006,589 0.007,590 0.362,591 0.33,592 0.88,593 0.39,594 188.002,595 0.051,596 -0.185,597 0.084,598 -0.058,599 0.037,600 0.004,601 -0.105,602 -0.027,603 -0.004,604 0.004,605 0.098,606 0.009,607 -0.075,608 0.11,609 -0.102,611 -0.035,612 -0.042,613 0.057,614 -0.053,615 -0.023,616 -0.065,617 0.092,618 -0.051,619 -0.038,620 -0.016,621 0.011,622 0.013,623 -0.06,624 0.014,625 -0.039,626 -0.146,627 -0.07,628 -0.109,629 -0.116,630 -0.097,631 -0.037,632 0.01,633 -0.015,634 0.009,635 -0.068,636 -0.001,637 -0.04,638 -0.034,639 -0.11,640 -0.086,641 -0.121,642 -0.102,643 0.775,644 2.672,645 0.824,646 41.529,647 0.983,648 1.129,649 3.39,650 11.491,651 0.645,652 3.664,653 3.97,654 4.22,655 4.477,656 4.718,657 4.71,658 4.804,659 4.89,660 4.984,661 5.011,662 9.225,663 0.594,664 458.71,665 3.664,666 5.198,667 6.038,668 6.903,669 7.754,670 8.621,671 9.477,672 10.344,673 11.202,674 12.069,675 5.6,677 1,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 72,716 17,717 2,718 38,720 76,721 29,722 15,723 5,724 7,730 5,731 6,736 2,740 3,741 1,743 4,745 15,746 14,747 1,764 38,765 5,766 1,767 5,773 4,777 0.8,778 1,786 1,793 5,797 1,814 1,815 1,819 4,823 2,827 34,833 10,834 1,835 1,837 2,838 2,847 1.4,852 1,854 16.333,855 13.183,856 7.417,857 4.706,858 3.347,859 1.399,860 0.987,861 7.56,862 11.741,863 3.861,864 4.407,865 4.943,866 5.503,867 6.048,868 6.23,869 6.519,870 6.808,871 7.06,872 6.826,873 1,874 52,875 12.639,877 5.295,878 7.343,879 25.481,881 21.613,883 1.843,884 62.667,888 435.531,889 146.426,890 41.045,892 11,895 146.426,896 446.531,897 41.045,898 17.65,899 24.83,900 103.297,901 16.786,902 35.908,904 435.531,906 435.531,907 187.471,908 11,911 353.133,912 93.398,915 68.517,916 102.169,917 16.786,919 435.531,920 52.045,921 146.426,924 435.531,925 43.49,926 109.185,927 18.011,928 27.785,929 435.531,930 52.045,931 146.426,933 0.577,934 0.33,935 0.182,936 0.103,937 25,938 10,939 0.092,940 7,941 1,942 1.071,943 4.744,944 306.924,945 0.071,946 28,947 166.974,951 23.444,952 10.964,953 6.048,954 2.109,955 52.045,956 19.587,957 4.616,961 4.862,963 18.011,964 634.002,965 46.5,975 70.756,976 81.261,977 0.216,978 0.529,979 0.777,980 0.902,981 0.907,982 0.907,983 5.101,984 1.882,985 5.999,986 5.621,987 4.654,988 5.094,989 1.552,990 6.76,991 4.577,992 6.26,993 1.524,994 7.52,995 5.291,996 4.111,997 4.783,998 0.57,999 7.526,1000 3.992,1001 7.537,1002 1.421,1003 9.136,1004 3.818,1005 6.201,1006 7.216,1007 1.121,1008 10.607,1009 6.05,1010 8.844,1011 1.232,1012 10.81,1013 3.698,1014 6.463,1015 7.776,1016 0.479,1017 12.218,1018 6.27,1019 10.187,1020 1.195,1021 12.521,1022 2.716,1023 7.999,1024 9.69,1025 0.858,1026 14.797,1027 7.78,1028 11.554,1029 1,1030 14.259,1031 2.62,1032 8.663,1033 10.701,1034 0.346,1035 16.787,1036 8.404,1037 12.941,1038 1,1039 16.017,1040 2.406,1041 9.95,1042 12.383,1043 0.662,1044 19.186,1045 9.666,1046 3.054,1047 0.865,1048 17.792,1049 2.275,1050 10.822,1051 13.631,1052 0.237,1053 21.349,1054 10.502,1055 2.929,1056 10.248,1057 19.58,1058 1.999,1059 11.995,1060 15.203,1061 0.506,1062 23.684,1063 11.649,1064 2.692,1065 9.276,1066 21.38,1067 4.458,1068 12.975,1069 16.573,1070 0.158,1071 25.925,1072 12.596,1073 2.459,1074 7.741,1075 23.188,1076 3.732,1077 14.098,1078 18.096,1079 0.382,1080 28.24,1081 13.692,1082 2.339,1083 6.962,1084 25.005,1085 3.17,1086 15.134,1087 19.526,1088 0.104,1089 30.517,1090 14.696,1091 2.216,1092 6.71,1093 26.828,1094 2.89,1095 16.237,1096 21.029,1097 0.285,1098 32.827,1099 15.771,1100 1.974,1101 6.187,1102 28.657,1103 2.636,1104 17.302,1105 22.489,1106 0.068,1107 35.122,1108 16.805,1109 19437,1110 26906,1111 26.235,1112 46.421,1113 56.21,1114 56.385,1115 56.947,1116 56.086,1117 56.061,1118 68.69,1119 5.72,1120 156.37,1121 53.912,1122 5.516,1123 5.185,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 11.847,1132 1.479,1133 1.484,1134 1.499,1135 1.476,1136 1.475,1137 1.808,1138 0.151,1139 4.115,1140 1.419,1141 4.081,1142 4.11,1143 4.04,1144 4.003,1145 5.016,1146 4.008,1147 3.995,1148 4.037,1149 3.921,1150 3.91,1151 4.748,1152 3.907,1153 3.848,1154 3.915,1155 3.729,1156 3.696,1157 4.58,1158 3.694,1159 3.733,1160 3.794,1161 3.614,1162 3.577,1163 4.399,1164 3.577,1165 3.549,1166 3.595,1167 3.447,1168 3.43,1169 4.327,1170 3.426,1171 3.44,1172 3.504,1173 3.292,1174 3.276,1175 4.211,1176 3.272,1177 3.273,1178 3.363,1179 3.069,1180 3.103,1181 3.892,1182 3.08,1183 3.156,1184 3.225,1185 3.008,1186 2.989,1187 3.839,1188 2.983,1189 0.119,1190 0.084,1191 0.172,1192 0.106,1193 0.08,1194 4.516,1195 0.117,1196 3.185,1197 0.023,1198 6.517,1199 0.27,1200 4.026,1201 0.078,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.118,1210 2.125,1211 1.479,1212 2.122,1213 1.968,1214 1.932,1215 2.104,1216 2.089,1217 1.303,1218 2.099,1219 1.828,1220 1.768,1221 2.022,1222 2.018,1223 1.222,1224 2.026,1225 1.712,1226 1.648,1227 1.917,1228 1.884,1229 1.124,1230 1.899,1231 1.538,1232 1.494,1233 1.751,1234 1.708,1235 0.993,1236 1.723,1237 1.437,1238 1.373,1239 1.698,1240 1.622,1241 0.898,1242 1.652,1243 1.303,1244 1.217,1245 1.641,1246 1.522,1247 0.825,1248 1.569,1249 1.153,1250 1.082,1251 1.513,1252 1.376,1253 0.805,1254 1.429,1255 4.344,1257 5.652,1259 7.157,1261 8.75,1263 10.387,1265 4.301,1271 11.05,1272 3.542,1273 6.172,1275 1.342,1276 5.086,1280 42.756,1281 95.932,1282 235.06,1283 345.176,1284 400.725,1285 402.725,1286 402.725,1287 47.005,1288 8.394,1289 40.63,1290 40.63,1291 30,1292 12.616,1293 4.17,1294 3.248,1295 50.52,1296 196,1297 160,1298 0.124,1299 259.736,1300 447.43,1301 625.515,1302 68758,1304 23.33,1305 0.686,1306 0.608,1307 23.33,1308 20.672,1309 16.636,1310 0.438,1311 0.34,1312 12.797,1313 16.157,1314 12.436,1315 10.29,1316 16.636,1317 12.927,1318 14.911,1319 0.287,1320 0.194,1321 14.911,1322 10.084,1323 12.346,1324 0.184,1325 0.11,1326 12.346,1327 7.372,1328 10.469,1329 0.12,1330 0.062,1331 10.469,1332 5.434,1333 8.753,1334 0.079,1335 0.036,1336 8.753,1337 4.009,1338 0.206,1339 102.775,1340 0.195,1341 32.451,1342 0.315,1343 180,1344 389.004,1345 191.814,1346 381.693,1347 540.84,1348 364,1349 209,1350 408.609,1351 221.758,1352 416.268,1353 608.64,1354 394,1355 9.2} {0 CHEMBL518545,1 1.332,2 15.647,3 5.04,4 25.399,5 140.041,6 6.371,7 0.447,8 4.346,9 4.484,10 3.796,11 3.881,12 5.249,13 3.828,14 4.947,15 5.154,16 4.139,17 4.298,18 5.772,19 4.217,20 5.254,21 5.5,22 4.184,23 4.488,24 6.016,25 4.36,26 5.326,27 5.598,28 4.073,29 4.495,30 6.012,31 4.321,32 5.297,33 5.578,34 3.996,35 4.435,36 5.971,37 4.258,38 5.204,39 5.476,40 3.919,41 4.357,42 5.891,43 4.179,44 5.162,45 5.449,46 3.855,47 4.284,48 5.81,49 4.108,50 5.08,51 5.351,52 3.801,53 4.262,54 5.724,55 4.083,56 0.084,57 1.048,58 17.51,59 6.963,60 10.731,61 10.074,62 0.261,63 1.76,64 32.567,65 11.349,66 24.391,67 17.037,68 0.468,69 2.223,70 44.296,71 15.519,72 37.091,73 23.186,74 0.368,75 2.235,76 46.805,77 18.173,78 35.707,79 26.493,80 0.347,81 2.125,82 45.53,83 17.433,84 35.769,85 25.391,86 0.297,87 1.992,88 41.441,89 15.671,90 33.259,91 23.103,92 0.349,93 1.899,94 39.935,95 14.464,96 30.035,97 21.617,98 0.285,99 1.79,100 36.518,101 13.956,102 23.694,103 20.59,104 5,105 52,106 0.208,107 0.51,108 0.749,109 0.87,110 0.874,111 0.874,112 3.56,113 1.021,114 -4.62,115 -4.54,116 -4.27,119 40.3,120 2,121 3,122 1,125 7,127 1,140 9,141 2,142 2,144 2,169 12,172 10,176 1,178 15,181 1,182 8,184 1,189 11,192 1,193 6,199 11,203 6,208 2,211 7,215 8,220 2,222 5,225 1,226 4,231 2,233 6,236 1,237 2,242 1,244 7,249 5,254 2,256 10,259 2056,260 23.394,261 23.394,262 23.394,263 23.394,264 23.394,265 21.383,266 31.28,267 13.978,268 23.886,269 18.819,270 18.819,271 18.819,272 18.819,273 18.819,274 15.81,275 41.341,276 6.698,277 19.606,278 4.838,279 2.905,280 1.376,281 0.604,282 0.577,283 0.577,284 4.273,289 1,290 1180,291 3,295 557.231,299 173.646,302 2.533,303 16.608,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 71,315 532,316 4.516,317 3.185,318 6.517,319 4.026,320 3.054,321 4.458,322 0.86,323 10.248,324 2.968,325 4.184,326 3.167,327 6.192,328 3.886,329 2.929,330 3.732,331 0.8,332 9.276,333 2.816,334 3.748,335 2.912,336 5.605,337 3.658,338 2.692,339 3.17,340 0.8,341 7.741,342 2.599,343 3.715,344 2.726,345 5.345,346 3.413,347 2.459,348 2.89,349 0.4,350 6.962,351 2.344,352 3.563,353 2.598,354 5.312,355 3.289,356 2.339,357 2.636,359 6.71,360 2.219,361 3.309,362 2.408,363 5.072,364 3.171,365 2.216,366 2.597,368 6.187,369 2.109,370 3.28,371 2.169,372 4.891,373 2.942,374 1.974,375 2.351,377 5.621,378 1.904,379 3.079,380 2.072,381 4.813,382 2.841,383 1.882,384 2.219,386 5.291,387 1.798,388 2.989,389 1.607,390 4.196,391 2.512,392 1.524,393 2.111,395 3.818,396 1.504,397 2.717,398 1.559,399 4.172,400 2.396,401 1.421,402 1.791,404 3.698,405 1.383,406 2.49,407 1.459,408 3.528,409 2.187,410 1.232,411 1.487,413 2.716,414 1.178,415 2.452,416 1.358,417 3.493,418 2.149,419 1.195,420 1.445,422 2.62,423 1.126,424 2.137,425 1.116,426 3.456,427 1.984,428 1,429 1.106,431 2.406,432 0.983,433 2.12,434 1.077,435 3.414,436 1.955,437 1,438 1.079,440 2.275,441 0.953,442 2,443 0.963,444 3.312,445 1.835,446 0.865,447 1,449 1.999,450 0.836,451 16.433,452 0.483,453 0.708,454 0.021,455 39,456 1.147,457 17,458 0.5,459 22,460 0.647,461 35.092,462 1.032,463 37.567,464 0.522,465 26.676,466 0.785,467 7.216,468 0.212,469 9.42,470 0.277,471 0.061,473 0.292,479 0.949,480 1.429,481 0.942,482 1.196,483 0.928,484 1.087,485 1.432,486 1.182,487 1.045,488 1.019,489 0.948,490 0.996,491 1.359,492 0.963,493 1.125,494 0.985,495 1.141,496 1.022,497 0.856,498 1.017,499 0.996,500 1.074,501 0.816,502 1.055,503 1.072,504 0.952,505 0.968,506 0.984,507 1.064,508 0.978,509 0.989,510 1.116,511 1.049,512 1.109,513 1.085,514 1.093,515 1.049,516 0.959,517 1.001,518 0.959,519 0.973,520 0.975,521 0.864,522 1.028,523 1.083,524 1.088,525 0.917,526 1.101,527 6.5,528 0.169,529 3.111,530 1.75,531 1.533,532 0.729,533 0.667,534 0.335,535 0.201,536 0.218,537 21186,538 40112,539 2.163,540 52.8,541 3,542 24,545 1,546 3,547 7,550 1.752,551 2.082,552 3.893,553 -0.45,559 95.932,560 1.332,561 3.265,562 4.794,563 5.566,564 5.593,565 5.593,566 3.375,567 4.455,568 5.062,569 4.116,570 2308.86,571 8.826,572 38480.5,577 444.235,578 1.166,579 5.043,580 0.171,581 0.006,582 0.06,583 0.034,584 0.034,585 0.017,586 0.018,587 0.009,588 0.006,589 0.007,590 0.362,591 0.33,592 0.88,593 0.39,594 188.002,595 0.051,596 -0.185,597 0.084,598 -0.058,599 0.037,600 0.004,601 -0.105,602 -0.027,603 -0.004,604 0.004,605 0.098,606 0.009,607 -0.075,608 0.11,609 -0.102,611 -0.035,612 -0.042,613 0.057,614 -0.053,615 -0.023,616 -0.065,617 0.092,618 -0.051,619 -0.038,620 -0.016,621 0.011,622 0.013,623 -0.06,624 0.014,625 -0.039,626 -0.146,627 -0.07,628 -0.109,629 -0.116,630 -0.097,631 -0.037,632 0.01,633 -0.015,634 0.009,635 -0.068,636 -0.001,637 -0.04,638 -0.034,639 -0.11,640 -0.086,641 -0.121,642 -0.102,643 0.775,644 2.672,645 0.824,646 41.529,647 0.983,648 1.129,649 3.39,650 11.491,651 0.645,652 3.664,653 3.97,654 4.22,655 4.477,656 4.718,657 4.71,658 4.804,659 4.89,660 4.984,661 5.011,662 9.225,663 0.594,664 458.71,665 3.664,666 5.198,667 6.038,668 6.903,669 7.754,670 8.621,671 9.477,672 10.344,673 11.202,674 12.069,675 5.6,677 1,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 72,716 17,717 2,718 38,720 76,721 29,722 15,723 5,724 7,730 5,731 6,736 2,740 3,741 1,743 4,745 15,746 14,747 1,764 38,765 5,766 1,767 5,773 4,777 0.8,778 1,786 1,793 5,797 1,814 1,815 1,819 4,823 2,827 34,833 10,834 1,835 1,837 2,838 2,847 1.4,852 1,854 16.333,855 13.183,856 7.417,857 4.706,858 3.347,859 1.399,860 0.987,861 7.56,862 11.741,863 3.861,864 4.407,865 4.943,866 5.503,867 6.048,868 6.23,869 6.519,870 6.808,871 7.06,872 6.826,873 1,874 52,875 12.639,877 5.295,878 7.343,879 25.481,881 21.613,883 1.843,884 62.667,888 435.531,889 146.426,890 41.045,892 11,895 146.426,896 446.531,897 41.045,898 17.65,899 24.83,900 103.297,901 16.786,902 35.908,904 435.531,906 435.531,907 187.471,908 11,911 353.133,912 93.398,915 68.517,916 102.169,917 16.786,919 435.531,920 52.045,921 146.426,924 435.531,925 43.49,926 109.185,927 18.011,928 27.785,929 435.531,930 52.045,931 146.426,933 0.577,934 0.33,935 0.182,936 0.103,937 25,938 10,939 0.092,940 7,941 1,942 1.071,943 4.744,944 306.924,945 0.071,946 28,947 166.974,951 23.444,952 10.964,953 6.048,954 2.109,955 52.045,956 19.587,957 4.616,961 4.862,963 18.011,964 634.002,965 46.5,975 70.756,976 81.261,977 0.216,978 0.529,979 0.777,980 0.902,981 0.907,982 0.907,983 5.101,984 1.882,985 5.999,986 5.621,987 4.654,988 5.094,989 1.552,990 6.76,991 4.577,992 6.26,993 1.524,994 7.52,995 5.291,996 4.111,997 4.783,998 0.57,999 7.526,1000 3.992,1001 7.537,1002 1.421,1003 9.136,1004 3.818,1005 6.201,1006 7.216,1007 1.121,1008 10.607,1009 6.05,1010 8.844,1011 1.232,1012 10.81,1013 3.698,1014 6.463,1015 7.776,1016 0.479,1017 12.218,1018 6.27,1019 10.187,1020 1.195,1021 12.521,1022 2.716,1023 7.999,1024 9.69,1025 0.858,1026 14.797,1027 7.78,1028 11.554,1029 1,1030 14.259,1031 2.62,1032 8.663,1033 10.701,1034 0.346,1035 16.787,1036 8.404,1037 12.941,1038 1,1039 16.017,1040 2.406,1041 9.95,1042 12.383,1043 0.662,1044 19.186,1045 9.666,1046 3.054,1047 0.865,1048 17.792,1049 2.275,1050 10.822,1051 13.631,1052 0.237,1053 21.349,1054 10.502,1055 2.929,1056 10.248,1057 19.58,1058 1.999,1059 11.995,1060 15.203,1061 0.506,1062 23.684,1063 11.649,1064 2.692,1065 9.276,1066 21.38,1067 4.458,1068 12.975,1069 16.573,1070 0.158,1071 25.925,1072 12.596,1073 2.459,1074 7.741,1075 23.188,1076 3.732,1077 14.098,1078 18.096,1079 0.382,1080 28.24,1081 13.692,1082 2.339,1083 6.962,1084 25.005,1085 3.17,1086 15.134,1087 19.526,1088 0.104,1089 30.517,1090 14.696,1091 2.216,1092 6.71,1093 26.828,1094 2.89,1095 16.237,1096 21.029,1097 0.285,1098 32.827,1099 15.771,1100 1.974,1101 6.187,1102 28.657,1103 2.636,1104 17.302,1105 22.489,1106 0.068,1107 35.122,1108 16.805,1109 19437,1110 26906,1111 26.235,1112 46.421,1113 56.21,1114 56.385,1115 56.947,1116 56.086,1117 56.061,1118 68.69,1119 5.72,1120 156.37,1121 53.912,1122 5.516,1123 5.185,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 1.72,1129 17.078,1130 4.968,1131 11.847,1132 1.479,1133 1.484,1134 1.499,1135 1.476,1136 1.475,1137 1.808,1138 0.151,1139 4.115,1140 1.419,1141 4.081,1142 4.11,1143 4.04,1144 4.003,1145 5.016,1146 4.008,1147 3.995,1148 4.037,1149 3.921,1150 3.91,1151 4.748,1152 3.907,1153 3.848,1154 3.915,1155 3.729,1156 3.696,1157 4.58,1158 3.694,1159 3.733,1160 3.794,1161 3.614,1162 3.577,1163 4.399,1164 3.577,1165 3.549,1166 3.595,1167 3.447,1168 3.43,1169 4.327,1170 3.426,1171 3.44,1172 3.504,1173 3.292,1174 3.276,1175 4.211,1176 3.272,1177 3.273,1178 3.363,1179 3.069,1180 3.103,1181 3.892,1182 3.08,1183 3.156,1184 3.225,1185 3.008,1186 2.989,1187 3.839,1188 2.983,1189 0.119,1190 0.084,1191 0.172,1192 0.106,1193 0.08,1194 4.516,1195 0.117,1196 3.185,1197 0.023,1198 6.517,1199 0.27,1200 4.026,1201 0.078,1202 3.054,1203 4.458,1204 0.86,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.118,1210 2.125,1211 1.479,1212 2.122,1213 1.968,1214 1.932,1215 2.104,1216 2.089,1217 1.303,1218 2.099,1219 1.828,1220 1.768,1221 2.022,1222 2.018,1223 1.222,1224 2.026,1225 1.712,1226 1.648,1227 1.917,1228 1.884,1229 1.124,1230 1.899,1231 1.538,1232 1.494,1233 1.751,1234 1.708,1235 0.993,1236 1.723,1237 1.437,1238 1.373,1239 1.698,1240 1.622,1241 0.898,1242 1.652,1243 1.303,1244 1.217,1245 1.641,1246 1.522,1247 0.825,1248 1.569,1249 1.153,1250 1.082,1251 1.513,1252 1.376,1253 0.805,1254 1.429,1255 4.344,1257 5.652,1259 7.157,1261 8.75,1263 10.387,1265 4.301,1271 11.05,1272 3.542,1273 6.172,1275 1.342,1276 5.086,1280 42.756,1281 95.932,1282 235.06,1283 345.176,1284 400.725,1285 402.725,1286 402.725,1287 47.005,1288 8.394,1289 40.63,1290 40.63,1291 30,1292 12.616,1293 4.17,1294 3.248,1295 50.52,1296 196,1297 160,1298 0.124,1299 259.736,1300 447.43,1301 625.515,1302 68758,1304 23.33,1305 0.686,1306 0.608,1307 23.33,1308 20.672,1309 16.636,1310 0.438,1311 0.34,1312 12.797,1313 16.157,1314 12.436,1315 10.29,1316 16.636,1317 12.927,1318 14.911,1319 0.287,1320 0.194,1321 14.911,1322 10.084,1323 12.346,1324 0.184,1325 0.11,1326 12.346,1327 7.372,1328 10.469,1329 0.12,1330 0.062,1331 10.469,1332 5.434,1333 8.753,1334 0.079,1335 0.036,1336 8.753,1337 4.009,1338 0.206,1339 102.775,1340 0.195,1341 32.451,1342 0.315,1343 180,1344 389.004,1345 191.814,1346 381.693,1347 540.84,1348 364,1349 209,1350 408.609,1351 221.758,1352 416.268,1353 608.64,1354 394,1355 9} {0 CHEMBL519010,1 1.523,2 15.844,3 2.994,4 8.965,5 120.196,6 7.348,7 0.472,8 4.19,9 4.297,10 3.756,11 3.706,12 5.233,13 3.698,14 4.744,15 4.907,16 4.079,17 4.071,18 5.764,19 4.044,20 4.973,21 5.167,22 4.11,23 4.174,24 5.997,25 4.119,26 4.979,27 5.211,28 3.937,29 4.122,30 5.879,31 4.022,32 4.862,33 5.088,34 3.808,35 4.068,36 5.722,37 3.943,38 4.887,39 5.14,40 3.713,41 3.982,42 5.738,43 3.848,44 4.794,45 5.049,46 3.622,47 3.879,48 5.577,49 3.76,50 4.689,51 4.925,52 3.622,53 3.847,54 5.536,55 3.735,56 0.028,57 0.84,58 12.398,59 5.589,60 6.824,61 7.107,62 0.294,63 1.348,64 24.368,65 9.03,66 28.79,67 11.789,68 0.561,69 1.598,70 32.461,71 11.145,72 55.162,73 14.8,74 0.654,75 1.533,76 34.155,77 11.887,78 47.396,79 16.206,80 0.326,81 1.407,82 29.036,83 11.498,84 34.076,85 15.817,86 0.442,87 1.398,88 31.306,89 11.092,90 49.639,91 15.653,92 0.417,93 1.289,94 28.837,95 9.521,96 37.49,97 13.454,98 0.473,99 1.21,100 25.156,101 8.625,102 36.559,103 12.029,104 5,105 50,106 0.246,107 0.57,108 0.774,109 0.871,110 0.884,111 0.884,112 3.501,113 0.921,114 -3.16,115 -3.15,116 -3.03,119 42.4,120 1,121 1,122 1,125 6,140 8,141 1,142 4,144 2,156 1,169 5,172 13,174 1,176 1,178 6,181 1,182 7,184 1,186 1,189 5,192 3,193 4,195 1,197 1,199 10,202 1,203 1,211 5,214 1,215 9,220 1,222 3,226 4,236 2,237 3,240 1,244 5,248 1,256 3,259 1850,260 21.98,261 21.98,262 21.98,263 21.98,264 21.98,265 19.79,266 30.343,267 13.057,268 22.53,269 17.835,270 17.835,271 17.835,272 17.835,273 17.835,274 14.445,275 43.31,276 6.286,277 18.737,278 4.36,279 2.361,280 1.102,281 0.5,282 0.42,283 0.42,284 4.213,288 1,289 1,290 1132,291 3.317,293 78.447,295 387.466,299 328.367,302 2.445,303 27.432,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 69.5,315 507,316 4.516,317 3.653,318 6.517,319 4.026,320 3.054,321 4.458,322 2.03,323 10.248,324 2.968,325 4.302,326 3.183,327 6.212,328 3.916,329 2.962,330 3.93,331 0.892,332 9.342,333 2.819,334 3.838,335 3.108,336 5.8,337 3.777,338 2.828,339 3.17,340 0.86,341 8.375,342 2.685,343 3.716,344 3.024,345 5.323,346 3.318,347 2.365,348 2.97,349 0.86,350 6.746,351 2.263,352 3.663,353 2.702,354 5.27,355 3.29,356 2.342,357 2.813,358 0.8,359 6.717,360 2.219,361 3.418,362 2.613,363 4.953,364 3.041,365 2.066,366 2.631,367 0.141,368 5.784,369 1.977,370 3.298,371 2.181,372 4.814,373 2.879,374 1.923,375 2.627,377 5.299,378 1.83,379 2.996,380 2.045,381 4.634,382 2.75,383 1.787,384 2.219,386 4.951,387 1.715,388 2.886,389 1.912,390 4.385,391 2.514,392 1.568,393 2.01,395 4.272,396 1.504,397 2.841,398 1.64,399 4.198,400 2.505,401 1.526,402 1.851,404 3.826,405 1.466,406 2.517,407 1.504,408 3.604,409 2.286,410 1.342,411 1.521,413 2.962,414 1.256,415 2.278,416 1.353,417 3.373,418 1.915,419 0.952,420 1.232,422 2.191,423 0.912,424 2.04,425 1.122,426 3.306,427 1.743,428 0.83,429 0.971,431 1.929,432 0.748,433 1.684,434 0.957,435 3.139,436 1.466,437 0.564,438 0.618,440 1.35,441 0.503,442 1.416,443 0.678,444 3,445 1.194,446 0.279,447 0.306,449 0.656,450 0.253,451 15.033,452 0.47,453 0.708,454 0.022,455 41,456 1.281,457 19.5,458 0.609,459 21.5,460 0.672,461 26.504,462 0.828,463 34.767,464 0.589,465 28.803,466 0.9,467 8.022,468 0.251,469 7.614,470 0.238,471 0.055,473 0.326,479 0.822,480 1.36,481 0.772,482 1.167,483 0.63,484 0.99,485 1.169,486 1.142,487 0.947,488 1.02,489 0.723,490 0.952,491 1.252,492 1.047,493 1.086,494 1.022,495 1.093,496 1.018,497 1.056,498 0.826,499 1.025,500 0.902,501 0.728,502 0.954,503 0.66,504 1.126,505 0.999,506 1.196,507 0.731,508 1.17,509 0.812,510 1.035,511 0.98,512 1.045,513 0.736,514 1.045,515 1.096,516 0.983,517 1.044,518 0.917,519 0.835,520 0.962,521 0.915,522 0.909,523 1.099,524 0.964,525 0.957,526 1.041,527 6.5,528 0.148,529 2.889,530 1.875,531 1.836,532 0.618,533 0.523,534 0.285,535 0.226,536 0.172,537 19356,538 48677,539 2.174,540 45.8,542 20,545 1,546 3,548 2,549 1,550 1.733,551 2.087,552 3.898,553 -0.372,555 1,559 89.843,560 1.523,561 3.521,562 4.781,563 5.382,564 5.463,565 5.463,566 3.329,567 4.789,568 4.978,569 4.131,570 2049.09,571 8.636,572 33825.5,574 1,577 347.076,578 1.198,579 4.954,580 0.181,581 0.007,582 0.06,583 0.04,584 0.047,585 0.018,586 0.017,587 0.01,588 0.008,589 0.006,590 0.395,591 0.33,592 0.88,593 0.406,594 175.516,595 -0.025,596 -0.186,597 0.076,598 -0.09,599 -0.018,600 -0.005,601 -0.087,602 -0.051,603 -0.004,604 -0.019,605 0.04,606 0.001,607 -0.062,608 -0.015,609 -0.098,610 -0.052,611 -0.011,612 -0.073,613 0.015,614 0.135,615 -0.023,616 0.074,617 0.015,618 0.025,619 0.08,620 -0.168,621 -0.057,622 -0.169,623 0.016,624 -0.143,625 0.047,626 -0.103,627 0.009,628 -0.062,629 0.057,630 -0.038,631 -0.131,632 -0.028,633 -0.037,634 0.039,635 -0.104,636 0.019,637 0.007,638 0.105,639 -0.118,640 -0.004,641 -0.1,642 -0.07,643 1.805,644 4.459,645 0.75,646 37.188,647 1.004,648 1.124,649 1.926,650 3.709,651 0.661,652 3.611,653 3.932,654 4.19,655 4.419,656 4.654,657 4.663,658 4.71,659 4.82,660 4.92,661 4.86,662 9.418,663 0.631,664 433.55,665 3.611,666 5.153,667 5.999,668 6.872,669 7.731,670 8.606,671 9.468,672 10.344,673 11.208,674 12.083,675 5.1,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 3,714 59,715 1,716 18,717 2,718 36,720 63,721 25,722 15,723 6,724 6,730 5,731 7,736 1,741 1,743 1,745 16,746 9,747 1,750 1,755 1,759 1,761 1,764 27,765 7,766 1,767 7,773 3,777 0.6,778 4,786 1,791 1,793 4,797 2,805 1,815 1,819 3,823 1,827 32,833 7,834 1,835 3,837 1,838 1,847 6.8,850 1,852 3,854 15.333,855 10.817,856 6.917,857 3.615,858 3.445,859 1.413,860 0.995,861 6.26,862 11.793,863 3.839,864 4.419,865 4.965,866 5.522,867 6.084,868 6.289,869 6.534,870 6.847,871 7.085,872 6.745,873 1,874 47,875 11.859,877 5.072,878 7.63,879 23.041,881 19.267,883 2.13,884 68.167,887 1,888 306.049,889 137.93,890 37.921,892 58.145,895 137.93,896 364.193,897 37.921,898 8.825,899 40.64,900 75.81,901 46.635,902 62.085,904 306.049,906 306.049,907 175.85,908 58.145,911 282.506,912 81.687,915 57.49,916 101.575,917 16.786,919 306.049,920 96.065,921 137.93,924 306.049,925 53.294,926 87.759,927 18.011,928 74.93,929 306.049,930 96.065,931 137.93,933 0.581,934 0.332,935 0.178,936 0.101,937 25,938 10,939 0.127,940 8,941 2,942 1.167,943 4.699,944 277.486,945 0.167,946 24,947 156,951 21.197,952 9.451,953 5.065,954 2.037,955 96.065,956 15.665,957 4.563,961 4.019,963 18.011,964 540.043,965 45.5,970 11.459,974 -0.138,975 59.218,976 66.315,977 0.259,978 0.599,979 0.813,980 0.915,981 0.929,982 0.929,983 5.083,984 1.787,985 5.969,986 5.299,987 4.615,988 5.106,989 2.611,990 6.744,991 4.521,992 6.264,993 1.568,994 7.498,995 4.951,996 4.111,997 4.89,998 1.668,999 7.526,1000 3.997,1001 7.562,1002 1.526,1003 9.122,1004 4.272,1005 6.192,1006 7.279,1007 3.362,1008 10.629,1009 6.011,1010 8.89,1011 1.342,1012 10.803,1013 3.826,1014 6.494,1015 7.901,1016 3.213,1017 12.25,1018 6.288,1019 10.25,1020 0.952,1021 12.522,1022 2.962,1023 8.02,1024 9.777,1025 4.515,1026 14.843,1027 7.759,1028 11.632,1029 0.83,1030 14.267,1031 2.191,1032 8.719,1033 10.82,1034 4.752,1035 16.837,1036 8.429,1037 13.032,1038 0.564,1039 16.032,1040 1.929,1041 10.002,1042 12.478,1043 5.818,1044 19.244,1045 9.667,1046 3.054,1047 0.279,1048 17.812,1049 1.35,1050 10.903,1051 13.739,1052 6.248,1053 21.406,1054 10.535,1055 2.962,1056 10.248,1057 19.606,1058 0.656,1059 12.076,1060 15.297,1061 7.175,1062 23.744,1063 11.67,1064 2.828,1065 9.342,1066 21.409,1067 4.458,1068 13.077,1069 16.67,1070 7.714,1071 25.982,1072 12.636,1073 2.365,1074 8.375,1075 23.221,1076 3.93,1077 14.203,1078 18.184,1079 8.557,1080 28.295,1081 13.726,1082 2.342,1083 6.746,1084 25.041,1085 3.17,1086 15.252,1087 19.612,1088 9.16,1089 30.569,1090 14.74,1091 2.066,1092 6.717,1093 26.867,1094 2.97,1095 16.358,1096 21.107,1097 9.952,1098 32.876,1099 15.813,1100 1.923,1101 5.784,1102 28.697,1103 2.813,1104 17.431,1105 22.563,1106 10.594,1107 35.167,1108 16.852,1109 17621,1110 28138,1111 24.849,1112 38.972,1113 52.9,1114 54.758,1115 53.817,1116 52.656,1117 52.778,1118 66.651,1119 11.167,1120 149.298,1121 50.235,1122 5.516,1123 5.653,1124 6.2,1125 5.134,1126 5.054,1127 7.458,1128 3.634,1129 17.078,1130 4.968,1131 11.449,1132 1.469,1133 1.521,1134 1.495,1135 1.463,1136 1.466,1137 1.851,1138 0.31,1139 4.147,1140 1.395,1141 4.078,1142 4.103,1143 4.038,1144 4,1145 7.429,1146 4.006,1147 3.975,1148 4.003,1149 3.925,1150 3.854,1151 5.017,1152 3.867,1153 3.876,1154 3.928,1155 3.773,1156 3.719,1157 4.906,1158 3.723,1159 3.575,1160 3.623,1161 3.466,1162 3.436,1163 4.58,1164 3.433,1165 3.509,1166 3.548,1167 3.431,1168 3.352,1169 4.55,1170 3.345,1171 3.462,1172 3.508,1173 3.318,1174 3.27,1175 4.32,1176 3.296,1177 3.123,1178 3.178,1179 3.007,1180 2.96,1181 4.228,1182 2.953,1183 3.071,1184 3.142,1185 2.926,1186 2.84,1187 3.987,1188 2.855,1189 0.125,1190 0.101,1191 0.181,1192 0.112,1193 0.085,1194 4.516,1195 0.124,1196 3.653,1197 0.056,1198 6.517,1199 0.285,1200 4.026,1201 0.082,1202 3.054,1203 4.458,1204 2.03,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.108,1210 2.125,1211 1.437,1212 2.121,1213 1.907,1214 1.885,1215 2.058,1216 2.071,1217 1.225,1218 2.068,1219 1.842,1220 1.787,1221 1.971,1222 2.013,1223 1.13,1224 2.001,1225 1.556,1226 1.508,1227 1.804,1228 1.753,1229 1.079,1230 1.769,1231 1.496,1232 1.44,1233 1.728,1234 1.658,1235 0.806,1236 1.677,1237 1.397,1238 1.365,1239 1.582,1240 1.627,1241 0.72,1242 1.619,1243 1.115,1244 1.048,1245 1.425,1246 1.333,1247 0.576,1248 1.352,1249 1.028,1250 0.964,1251 1.348,1252 1.3,1253 0.479,1254 1.332,1255 4.29,1257 5.638,1259 7.172,1261 8.793,1263 10.456,1265 2,1271 5.477,1272 2.808,1273 17.336,1275 0.519,1276 2.423,1280 37.245,1281 89.843,1282 207.753,1283 282.056,1284 317.566,1285 322.321,1286 322.321,1287 47.787,1288 8.348,1289 72.92,1290 72.92,1291 28,1292 12.625,1293 4.248,1294 3.392,1295 46.36,1296 187,1297 144,1298 0.117,1299 223.633,1300 390.96,1301 537.425,1302 67216,1304 21.916,1305 0.685,1306 0.568,1307 21.916,1308 18.173,1309 15.636,1310 0.434,1311 0.307,1312 10.871,1313 14.949,1314 10.633,1315 8.748,1316 15.636,1317 11.049,1318 14.216,1319 0.284,1320 0.168,1321 14.216,1322 8.409,1323 11.796,1324 0.181,1325 0.089,1326 11.796,1327 5.81,1328 9.667,1329 0.118,1330 0.049,1331 9.667,1332 4.027,1333 8.082,1334 0.078,1335 0.026,1336 8.082,1337 2.743,1338 0.197,1339 98.548,1340 0.201,1341 31.208,1342 0.29,1343 172,1344 504.565,1345 191.032,1346 473.26,1347 651.45,1348 448,1349 201,1350 479.183,1351 221.005,1352 479.657,1353 704.18,1354 452,1355 6.8} {0 CHEMBL519019,1 1.541,2 15.065,3 2.967,4 8.8,5 115.308,6 7.491,7 0.486,8 4.145,9 4.249,10 3.728,11 3.662,12 5.203,13 3.659,14 4.693,15 4.852,16 4.061,17 4.018,18 5.74,19 4.003,20 4.917,21 5.105,22 4.081,23 4.12,24 5.973,25 4.076,26 4.883,27 5.098,28 3.924,29 4.086,30 5.807,31 3.994,32 4.846,33 5.068,34 3.79,35 4.031,36 5.729,37 3.912,38 4.837,39 5.096,40 3.678,41 3.904,42 5.694,43 3.78,44 4.677,45 4.913,46 3.592,47 3.798,48 5.527,49 3.695,50 4.614,51 4.845,52 3.578,53 3.797,54 5.463,55 3.685,56 0.04,57 0.801,58 11.434,59 5.246,60 6.769,61 6.554,62 0.293,63 1.282,64 22.637,65 8.442,66 26.516,67 10.811,68 0.686,69 1.502,70 30.644,71 10.302,72 57.844,73 13.289,74 0.499,75 1.436,76 29.789,77 11.092,78 38.747,79 14.907,80 0.384,81 1.379,82 28.589,83 11.086,84 37.309,85 15.073,86 0.482,87 1.331,88 30.228,89 10.286,90 49.565,91 14.564,92 0.525,93 1.169,94 25.224,95 8.327,96 38.566,97 11.432,98 0.333,99 1.125,100 22.812,101 8.332,102 27.349,103 11.539,104 5,105 49,106 0.252,107 0.581,108 0.783,109 0.869,110 0.883,111 0.883,112 3.471,113 0.908,114 -2.95,115 -2.95,116 -2.85,119 42.9,120 1,121 1,125 5,127 1,140 8,141 1,142 4,144 2,156 1,169 5,172 11,174 1,176 1,178 6,181 2,182 7,184 1,186 1,189 5,192 2,193 4,195 1,197 1,199 7,202 1,203 4,211 4,214 1,215 6,222 3,225 1,226 2,229 1,233 2,236 2,237 2,244 2,248 1,249 4,254 1,259 1652,260 21.273,261 21.273,262 21.273,263 21.273,264 21.273,265 19.082,266 27.884,267 12.609,268 21.827,269 17.352,270 17.352,271 17.352,272 17.352,273 17.352,274 13.972,275 37.408,276 6.081,277 18.28,278 4.266,279 2.255,280 1.018,281 0.491,282 0.406,283 0.406,284 4.183,288 1,289 1,290 1046,291 3.162,293 73.637,295 365.455,299 309.874,302 2.256,303 27.408,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 467,316 4.516,317 3.653,318 6.517,319 4.026,320 3.054,321 4.458,322 2.03,323 10.248,324 2.968,325 4.306,326 3.242,327 6.215,328 3.927,329 2.978,330 3.931,331 0.892,332 9.361,333 2.823,334 3.87,335 3.182,336 5.835,337 3.756,338 2.827,339 3.17,340 0.86,341 8.481,342 2.616,343 3.716,344 3.004,345 5.323,346 3.3,347 2.348,348 3.017,349 0.86,350 6.764,351 2.252,352 3.622,353 2.649,354 5.27,355 3.286,356 2.33,357 2.768,358 0.8,359 6.716,360 2.218,361 3.401,362 2.606,363 4.955,364 3.035,365 2.063,366 2.628,367 0.141,368 5.793,369 1.97,370 3.298,371 2.179,372 4.814,373 2.869,374 1.913,375 2.601,377 5.297,378 1.82,379 2.995,380 2.049,381 4.542,382 2.653,383 1.699,384 2.219,386 4.674,387 1.616,388 2.885,389 1.86,390 4.367,391 2.511,392 1.564,393 2.01,395 4.221,396 1.498,397 2.769,398 1.629,399 4.198,400 2.499,401 1.517,402 1.782,404 3.823,405 1.465,406 2.49,407 1.497,408 3.592,409 2.219,410 1.291,411 1.487,413 2.92,414 1.186,415 2.243,416 1.334,417 3.359,418 1.898,419 0.932,420 1.196,422 2.154,423 0.896,424 2,425 1.031,426 3.291,427 1.699,428 0.784,429 0.922,431 1.841,432 0.709,433 1.51,434 0.737,435 3,436 1.291,437 0.375,438 0.413,440 0.88,441 0.34,442 1.249,443 0.649,444 2.978,445 0.951,451 14.533,452 0.469,453 0.708,454 0.023,455 40.5,456 1.306,457 19.5,458 0.629,459 21,460 0.677,461 24.808,462 0.8,463 33.467,464 0.598,465 28.486,466 0.919,467 7.981,468 0.257,469 7.155,470 0.231,471 0.057,473 0.337,479 0.825,480 1.355,481 0.752,482 1.154,483 0.638,484 0.972,485 1.165,486 1.163,487 0.923,488 1.034,489 0.719,490 0.944,491 1.359,492 0.931,493 1.111,494 0.915,495 1.167,496 0.954,497 0.907,498 0.948,499 1.006,500 1.022,501 0.669,502 1.036,503 0.765,504 1.141,505 1.044,506 1.199,507 0.778,508 1.184,509 0.841,510 0.998,511 0.945,512 0.976,513 0.732,514 0.979,515 1.091,516 0.914,517 1.122,518 0.914,519 0.887,520 1.001,521 0.79,522 1.027,523 1.036,524 1.066,525 0.885,526 1.092,527 6.5,528 0.148,529 2.667,530 2.125,531 1.636,532 0.764,533 0.502,534 0.255,535 0.242,536 0.145,537 17327,538 44306,539 2.18,540 44.6,542 19,545 1,546 3,548 2,550 1.726,551 2.09,552 3.833,553 -0.361,554 1,555 1,559 86.321,560 1.541,561 3.553,562 4.789,563 5.316,564 5.401,565 5.401,566 3.229,567 4.89,568 4.932,569 4.053,570 1884.73,571 8.548,572 29848.9,574 1,576 1,577 325.212,578 1.215,579 4.907,580 0.186,581 0.007,582 0.057,583 0.046,584 0.042,585 0.023,586 0.017,587 0.009,588 0.009,589 0.006,590 0.403,591 0.33,592 0.88,593 0.415,594 167.455,595 -0.031,596 -0.193,597 0.076,598 -0.094,599 -0.033,600 -0.006,601 -0.083,602 -0.076,603 0.011,604 -0.043,605 0.04,606 -0.004,607 -0.083,608 0.097,609 -0.115,610 0.044,611 -0.047,612 -0.025,613 0.028,614 0.026,615 -0.038,616 -0.023,617 0.031,618 -0.042,619 0.046,620 -0.192,621 -0.089,622 -0.183,623 -0.014,624 -0.167,625 0.045,626 -0.071,627 0.067,628 -0.007,629 0.069,630 0.028,631 -0.06,632 0.072,633 -0.116,634 0.038,635 -0.119,636 -0.035,637 0.005,638 -0.034,639 -0.075,640 -0.082,641 -0.063,642 -0.094,643 1.809,644 4.466,645 0.774,646 34.106,647 1.006,648 1.123,649 1.718,650 2.952,651 0.664,652 3.584,653 3.912,654 4.174,655 4.419,656 4.654,657 4.691,658 4.736,659 4.875,660 4.963,661 4.927,662 8.936,663 0.638,664 419.52,665 3.584,666 5.13,667 5.979,668 6.858,669 7.719,670 8.6,671 9.466,672 10.348,673 11.215,674 12.097,675 5.4,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,712 3,714 56,715 1,716 18,717 2,718 35,720 60,721 24,722 15,723 6,724 6,730 5,731 7,736 1,740 1,743 2,745 16,746 8,750 1,755 1,759 1,761 1,764 25,765 7,766 1,767 7,773 3,777 0.6,778 4,786 1,791 1,793 4,797 2,805 1,815 1,819 3,823 1,827 31,833 6,834 1,835 3,837 1,838 1,847 7.1,850 1,852 3,854 14.833,855 10.317,856 6.667,857 3.421,858 3.468,859 1.417,860 1.004,861 5.77,862 11.785,863 3.818,864 4.407,865 4.958,866 5.526,867 6.089,868 6.309,869 6.563,870 6.89,871 7.111,872 6.818,873 0.9,874 46,875 11.484,877 4.936,878 7.651,879 22.224,881 18.586,883 2.151,884 66.667,887 1,888 282.506,889 133.337,890 37.921,892 58.145,895 133.337,896 340.651,897 37.921,898 8.825,899 36.047,900 75.81,901 46.635,902 62.085,904 282.506,906 282.506,907 171.258,908 58.145,911 258.964,912 81.687,915 52.898,916 101.575,917 16.786,919 282.506,920 96.065,921 133.337,924 282.506,925 48.702,926 87.759,927 18.011,928 74.93,929 282.506,930 96.065,931 133.337,933 0.582,934 0.333,935 0.18,936 0.101,937 25,938 10,939 0.117,940 7,941 2,942 1.167,943 4.576,944 269.458,945 0.167,946 24,947 149.58,951 20.252,952 8.832,953 4.665,954 2.019,955 96.065,956 15.623,957 4.556,961 3.989,963 18.011,964 511.909,965 44.5,970 11.466,974 -0.142,975 56.334,976 62.9,977 0.265,978 0.612,979 0.825,980 0.915,981 0.93,982 0.93,983 5.064,984 1.699,985 5.953,986 5.297,987 4.595,988 5.094,989 2.611,990 6.737,991 4.494,992 6.251,993 1.564,994 7.487,995 4.674,996 4.111,997 4.89,998 1.668,999 7.526,1000 3.975,1001 7.552,1002 1.517,1003 9.115,1004 4.221,1005 6.18,1006 7.275,1007 3.362,1008 10.636,1009 5.982,1010 8.883,1011 1.291,1012 10.8,1013 3.823,1014 6.494,1015 7.901,1016 3.213,1017 12.257,1018 6.255,1019 10.245,1020 0.932,1021 12.521,1022 2.92,1023 8.015,1024 9.777,1025 4.515,1026 14.858,1027 7.727,1028 11.629,1029 0.784,1030 14.268,1031 2.154,1032 8.724,1033 10.821,1034 4.752,1035 16.85,1036 8.392,1037 13.031,1038 0.375,1039 16.035,1040 1.841,1041 10.005,1042 12.479,1043 5.818,1044 19.261,1045 9.631,1046 3.054,1048 17.817,1049 0.88,1050 10.912,1051 13.741,1052 6.248,1053 21.422,1054 10.496,1055 2.978,1056 10.248,1057 19.612,1059 12.086,1060 15.299,1061 7.175,1062 23.761,1063 11.632,1064 2.827,1065 9.361,1066 21.417,1067 4.458,1068 13.091,1069 16.671,1070 7.714,1071 25.997,1072 12.596,1073 2.348,1074 8.481,1075 23.23,1076 3.931,1077 14.218,1078 18.185,1079 8.557,1080 28.311,1081 13.688,1082 2.33,1083 6.764,1084 25.05,1085 3.17,1086 15.27,1087 19.613,1088 9.16,1089 30.583,1090 14.702,1091 2.063,1092 6.716,1093 26.876,1094 3.017,1095 16.378,1096 21.108,1097 9.952,1098 32.89,1099 15.776,1100 1.913,1101 5.793,1102 28.708,1103 2.768,1104 17.454,1105 22.564,1106 10.594,1107 35.18,1108 16.816,1109 15760,1110 25390,1111 24.156,1112 37.21,1113 51.639,1114 53.242,1115 52.512,1116 51.298,1117 51.35,1118 65.205,1119 11.167,1120 146.345,1121 48.755,1122 5.516,1123 5.653,1124 6.199,1125 5.134,1126 5.054,1127 7.458,1128 3.634,1129 17.078,1130 4.968,1131 11.153,1132 1.475,1133 1.521,1134 1.5,1135 1.466,1136 1.467,1137 1.863,1138 0.319,1139 4.181,1140 1.393,1141 4.077,1142 4.102,1143 4.038,1144 3.999,1145 7.429,1146 4.005,1147 3.979,1148 4.004,1149 3.93,1150 3.856,1151 5.017,1152 3.87,1153 3.84,1154 3.895,1155 3.741,1156 3.663,1157 4.908,1158 3.672,1159 3.566,1160 3.611,1161 3.462,1162 3.432,1163 4.591,1164 3.429,1165 3.499,1166 3.539,1167 3.416,1168 3.328,1169 4.562,1170 3.331,1171 3.442,1172 3.49,1173 3.297,1174 3.257,1175 4.277,1176 3.275,1177 3.096,1178 3.164,1179 2.966,1180 2.957,1181 4.205,1182 2.946,1183 2.981,1184 3.038,1185 2.862,1186 2.776,1187 3.922,1188 2.781,1189 0.129,1190 0.104,1191 0.186,1192 0.115,1193 0.087,1194 4.516,1195 0.127,1196 3.653,1197 0.058,1198 6.517,1199 0.293,1200 4.026,1201 0.085,1202 3.054,1203 4.458,1204 2.03,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.108,1210 2.125,1211 1.37,1212 2.121,1213 1.907,1214 1.888,1215 2.029,1216 2.07,1217 1.222,1218 2.058,1219 1.795,1220 1.737,1221 1.956,1222 1.989,1223 1.107,1224 1.98,1225 1.545,1226 1.5,1227 1.777,1228 1.738,1229 1.065,1230 1.75,1231 1.478,1232 1.422,1233 1.723,1234 1.649,1235 0.806,1236 1.672,1237 1.387,1238 1.352,1239 1.575,1240 1.609,1241 0.716,1242 1.604,1243 1.113,1244 1.044,1245 1.425,1246 1.305,1247 0.48,1248 1.35,1249 0.932,1250 0.876,1251 1.241,1252 1.206,1253 0.458,1254 1.214,1255 4.263,1257 5.617,1259 7.157,1261 8.783,1263 10.453,1265 1.995,1271 4.417,1272 2.808,1273 17.424,1275 0.159,1276 2.353,1280 35.718,1281 86.321,1282 198.947,1283 268.192,1284 297.702,1285 302.457,1286 302.457,1287 45.302,1288 8.318,1289 72.92,1290 72.92,1291 28,1292 12.634,1293 4.248,1294 3.392,1295 44.223,1296 172,1297 134,1298 0.122,1299 214.041,1300 373.66,1301 514.02,1302 62734,1304 21.209,1305 0.684,1306 0.563,1307 21.209,1308 17.466,1309 15.136,1310 0.432,1311 0.303,1312 10.414,1313 14.455,1314 10.197,1315 8.369,1316 15.136,1317 10.588,1318 13.874,1319 0.283,1320 0.163,1321 13.874,1322 7.972,1323 11.48,1324 0.179,1325 0.086,1326 11.48,1327 5.518,1328 9.576,1329 0.117,1330 0.046,1331 9.576,1332 3.803,1333 7.932,1334 0.076,1335 0.025,1336 7.932,1337 2.582,1338 0.204,1339 95.456,1340 0.203,1341 30.245,1342 0.306,1343 168,1344 500.565,1345 187.697,1346 469.092,1347 647.41,1348 444,1349 197,1350 480.092,1351 217.448,1352 478.583,1353 704.16,1354 452,1355 6.6} {0 CHEMBL519037,1 1.536,2 14.031,3 2.866,4 8.214,5 119.674,6 7.571,7 0.472,8 4.155,9 4.26,10 3.744,11 3.701,12 5.235,13 3.692,14 4.722,15 4.879,16 4.124,17 4.097,18 5.783,19 4.076,20 5.006,21 5.191,22 4.194,23 4.242,24 6.105,25 4.195,26 5.018,27 5.234,28 4.042,29 4.209,30 6.004,31 4.118,32 4.953,33 5.178,34 3.959,35 4.156,36 5.943,37 4.055,38 4.909,39 5.122,40 3.913,41 4.115,42 5.926,43 4.012,44 4.919,45 5.157,46 3.811,47 4.049,48 5.935,49 3.923,50 4.803,51 5.066,52 3.642,53 3.898,54 5.661,55 3.768,56 0.037,57 0.811,58 11.225,59 5.336,60 7.277,61 6.641,62 0.251,63 1.354,64 22.519,65 8.876,66 24.924,67 11.392,68 0.659,69 1.682,70 32.605,71 11.513,72 68.025,73 14.789,74 0.526,75 1.641,76 34.167,77 12.787,78 53.791,79 16.919,80 0.419,81 1.551,82 32.034,83 12.196,84 59.149,85 16.427,86 0.46,87 1.503,88 30.092,89 11.56,90 61.915,91 15.404,92 0.611,93 1.506,94 31.636,95 11.286,96 82.705,97 15.731,98 0.415,99 1.357,100 28.745,101 9.842,102 48.169,103 14.05,104 10,105 51,106 0.249,107 0.599,108 0.791,109 0.859,110 0.865,111 0.865,112 3.502,113 0.909,114 -3.08,115 -3.08,116 -2.96,119 43.9,120 1,121 2,125 4,127 1,140 8,141 2,142 3,144 2,155 1,156 1,169 7,172 12,174 1,176 1,178 8,181 2,182 9,184 1,186 2,189 5,192 2,193 8,197 1,199 9,203 5,206 1,211 8,214 1,215 6,218 1,222 9,225 3,226 3,233 2,236 2,237 4,242 2,244 2,249 5,256 2,259 1706,260 21.773,261 21.773,262 21.773,263 21.773,264 21.773,265 19.491,266 26.532,267 12.716,268 22.165,269 17.797,270 17.797,271 17.797,272 17.797,273 17.797,274 14.22,275 33.729,276 6.099,277 18.447,278 4.297,279 2.14,280 0.961,281 0.54,282 0.504,283 0.504,284 4.214,288 1,289 1,290 1002,291 3.162,295 463.778,299 308.933,302 2.219,303 34.099,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 69.5,315 449,316 4.519,317 3.667,318 6.526,319 4.037,320 3.068,321 4.459,322 2.03,323 10.291,324 2.973,325 4.353,326 3.618,327 6.274,328 3.985,329 3.007,330 3.986,331 1.408,332 9.518,333 2.955,334 3.958,335 3.242,336 5.945,337 3.697,338 2.732,339 3.279,340 0.892,341 8.379,342 2.634,343 3.762,344 2.981,345 5.541,346 3.521,347 2.558,348 3.181,349 0.86,350 7.485,351 2.439,352 3.584,353 2.87,354 5.312,355 3.276,356 2.326,357 2.722,358 0.744,359 6.773,360 2.21,361 3.495,362 2.64,363 5.063,364 3.144,365 2.144,366 2.68,367 0.141,368 6.1,369 2.137,370 3.304,371 2.359,372 4.959,373 3.009,374 2.056,375 2.546,377 5.808,378 1.934,379 3.103,380 2.122,381 4.772,382 2.76,383 1.79,384 2.245,386 5.146,387 1.73,388 2.965,389 1.922,390 4.424,391 2.517,392 1.583,393 2.115,395 4.36,396 1.492,397 2.887,398 1.794,399 4.164,400 2.495,401 1.503,402 2.01,404 3.739,405 1.471,406 2.731,407 1.534,408 4.039,409 2.293,410 1.272,411 1.717,413 3.333,414 1.287,415 2.386,416 1.316,417 3.414,418 1.984,419 1,420 1.338,422 2.275,423 0.983,424 2,425 1.077,426 3.405,427 1.918,428 0.951,429 1,431 2.23,432 0.915,433 1.963,434 1.064,435 3.283,436 1.654,437 0.731,438 0.865,440 1.753,441 0.666,442 1.423,443 0.786,444 2.98,445 1.177,446 0.233,447 0.263,449 0.585,450 0.217,451 15.033,452 0.47,453 0.797,454 0.025,455 41.75,456 1.305,457 20.5,458 0.641,459 21.25,460 0.664,461 27.133,462 0.848,463 34.167,464 0.599,465 31.463,466 0.983,467 8.161,468 0.255,469 7.385,470 0.231,471 0.078,473 0.359,479 0.742,480 1.297,481 0.742,482 1.103,483 0.558,484 0.949,485 0.978,486 1.164,487 0.867,488 1.022,489 0.608,490 0.933,491 1.228,492 0.982,493 1.088,494 0.967,495 1.038,496 0.99,497 1.017,498 0.988,499 1.028,500 1.033,501 0.851,502 1.04,503 0.874,504 0.979,505 0.968,506 1.017,507 1.149,508 1.016,509 0.878,510 1.081,511 1.081,512 1.136,513 1.127,514 1.149,515 0.732,516 1.082,517 1.059,518 1.078,519 0.661,520 1.12,521 0.753,522 0.967,523 1.001,524 0.992,525 0.786,526 1.024,527 7,528 0.182,529 3.556,530 1.75,531 2.196,532 0.903,533 0.584,534 0.439,535 0.291,536 0.182,537 16970,538 44432,539 2.154,540 43.9,542 17,545 1,546 3,548 4,550 1.738,551 2.043,552 3.751,553 -0.372,555 1,559 87.527,560 1.536,561 3.693,562 4.872,563 5.293,564 5.328,565 5.328,566 3.243,567 4.726,568 4.975,569 3.949,570 1958.76,571 8.659,572 29970.1,574 1,577 332.475,578 1.317,579 4.943,580 0.194,581 0.007,582 0.07,583 0.034,584 0.05,585 0.022,586 0.015,587 0.013,588 0.01,589 0.007,590 0.423,591 0.33,592 0.88,593 0.476,594 171.491,595 -0.028,596 -0.15,597 0.065,598 -0.058,599 -0.026,600 0.007,601 -0.042,602 -0.069,603 0.037,604 -0.031,605 0.028,606 0.011,607 -0.055,608 0.054,609 -0.112,610 -0.004,611 -0.026,612 -0.054,613 -0.032,614 -0.032,615 -0.046,616 -0.037,617 -0.013,618 -0.046,619 -0.02,620 -0.024,621 0.004,622 -0.014,623 -0.065,624 -0.004,625 0.011,626 -0.109,627 -0.119,628 -0.137,629 -0.065,630 -0.152,631 0.127,632 -0.116,633 -0.07,634 -0.102,635 0.14,636 -0.12,637 0.019,638 0.013,639 0.001,640 -0.035,641 -0.027,642 -0.021,643 1.874,644 5.793,645 0.813,646 34.77,647 1.006,648 1.121,649 1.852,650 3.429,651 0.67,652 3.611,653 3.951,654 4.22,655 4.489,656 4.771,657 4.804,658 4.89,659 5.03,660 5.142,661 5.081,662 8.245,663 0.644,664 431.53,665 3.611,666 5.165,667 6.019,668 6.899,669 7.766,670 8.647,671 9.519,672 10.4,673 11.273,674 12.154,675 5.3,678 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,700 1,712 2,714 57,716 19,717 2,718 36,720 61,721 25,722 15,723 6,724 6,725 1,730 5,731 7,736 1,740 3,743 3,745 17,746 8,750 2,755 2,759 2,761 1,764 25,765 7,766 1,767 7,773 3,777 0.6,778 4,786 1,793 5,797 2,805 1,815 1,819 3,823 1,827 32,833 6,834 1,835 2,837 1,838 1,847 7,850 2,852 2,854 15.667,855 10.567,856 6.861,857 3.525,858 3.443,859 1.412,860 1.006,861 5.814,862 11.809,863 3.861,864 4.454,865 5.012,866 5.584,867 6.16,868 6.404,869 6.69,870 6.977,871 7.26,872 7.006,873 1,874 52,875 11.905,877 5.191,878 7.745,879 22.842,881 19.261,883 2.245,884 71.833,887 1,888 282.506,889 134.355,890 37.921,892 72.29,895 134.355,896 354.796,897 37.921,898 8.825,899 33.989,900 75.81,901 76.914,902 49.027,904 282.506,906 282.506,907 172.275,908 72.29,911 235.422,912 119.374,915 50.84,916 104.65,917 16.786,919 282.506,920 110.21,921 134.355,924 282.506,925 49.72,926 87.759,927 18.011,928 89.075,929 282.506,930 110.21,931 134.355,933 0.588,934 0.34,935 0.184,936 0.108,937 26,938 11,939 0.082,940 5,941 2,942 1.154,943 4.462,944 292.981,945 0.154,946 26,947 154,951 20.927,952 8.891,953 4.647,954 1.969,955 110.21,956 15.224,957 4.577,961 3.577,963 18.011,964 527.072,965 46.5,970 24.322,974 -0.177,975 57.334,976 63.9,977 0.263,978 0.633,979 0.835,980 0.907,981 0.914,982 0.914,983 5.113,984 1.79,985 6.004,986 5.808,987 4.635,988 5.142,989 2.769,990 6.799,991 4.567,992 6.311,993 1.583,994 7.551,995 5.146,996 4.205,997 4.977,998 1.668,999 7.627,1000 4.122,1001 7.615,1002 1.503,1003 9.191,1004 4.36,1005 6.221,1006 7.324,1007 3.566,1008 10.707,1009 6.087,1010 8.949,1011 1.272,1012 10.886,1013 3.739,1014 6.567,1015 7.974,1016 3.22,1017 12.342,1018 6.421,1019 10.313,1020 1,1021 12.614,1022 3.333,1023 8.059,1024 9.828,1025 4.66,1026 14.933,1027 7.87,1028 11.7,1029 0.951,1030 14.368,1031 2.275,1032 8.781,1033 10.886,1034 4.758,1035 16.928,1036 8.578,1037 13.104,1038 0.731,1039 16.139,1040 2.23,1041 10.048,1042 12.531,1043 5.901,1044 19.338,1045 9.81,1046 3.068,1047 0.233,1048 17.925,1049 1.753,1050 10.961,1051 13.797,1052 6.252,1053 21.5,1054 10.705,1055 3.007,1056 10.291,1057 19.722,1058 0.585,1059 12.128,1060 15.348,1061 7.219,1062 23.841,1063 11.843,1064 2.732,1065 9.518,1066 21.529,1067 4.459,1068 13.135,1069 16.721,1070 7.716,1071 26.08,1072 12.83,1073 2.558,1074 8.379,1075 23.343,1076 3.986,1077 14.261,1078 18.23,1079 8.579,1080 28.398,1081 13.93,1082 2.326,1083 7.485,1084 25.164,1085 3.279,1086 15.315,1087 19.656,1088 9.161,1089 30.673,1090 14.962,1091 2.144,1092 6.773,1093 26.991,1094 3.181,1095 16.424,1096 21.148,1097 9.962,1098 32.984,1099 16.047,1100 2.056,1101 6.1,1102 28.823,1103 2.722,1104 17.503,1105 22.603,1106 10.595,1107 35.279,1108 17.103,1109 15539,1110 25328,1111 24.561,1112 38.21,1113 54.117,1114 56.429,1115 55.203,1116 53.851,1117 53.905,1118 68.812,1119 12.151,1120 155.55,1121 52.084,1122 5.519,1123 5.667,1124 6.053,1125 5.144,1126 5.068,1127 7.459,1128 3.634,1129 17.174,1130 4.973,1131 13.423,1132 1.503,1133 1.567,1134 1.533,1135 1.496,1136 1.497,1137 1.911,1138 0.338,1139 4.321,1140 1.447,1141 4.083,1142 4.108,1143 4.043,1144 4.003,1145 7.43,1146 4.009,1147 3.986,1148 4.008,1149 3.943,1150 3.887,1151 7.425,1152 3.896,1153 3.832,1154 3.888,1155 3.723,1156 3.672,1157 5.016,1158 3.675,1159 3.57,1160 3.595,1161 3.503,1162 3.422,1163 4.833,1164 3.419,1165 3.516,1166 3.561,1167 3.418,1168 3.349,1169 4.588,1170 3.378,1171 3.328,1172 3.37,1173 3.231,1174 3.136,1175 4.317,1176 3.153,1177 3.111,1178 3.206,1179 2.993,1180 2.958,1181 4.24,1182 2.95,1183 3.1,1184 3.164,1185 2.866,1186 2.941,1187 4.102,1188 2.91,1189 0.126,1190 0.102,1191 0.181,1192 0.112,1193 0.085,1194 4.519,1195 0.124,1196 3.667,1197 0.056,1198 6.526,1199 0.286,1200 4.037,1201 0.083,1202 3.068,1203 4.459,1204 2.03,1205 10.291,1206 2.973,1207 2.034,1208 2.013,1209 2.111,1210 2.129,1211 1.394,1212 2.125,1213 1.931,1214 1.912,1215 2.037,1216 2.061,1217 1.214,1218 2.052,1219 1.802,1220 1.747,1221 1.982,1222 1.987,1223 1.128,1224 1.988,1225 1.527,1226 1.483,1227 1.734,1228 1.71,1229 0.832,1230 1.699,1231 1.464,1232 1.436,1233 1.634,1234 1.66,1235 0.825,1236 1.671,1237 1.274,1238 1.228,1239 1.513,1240 1.496,1241 0.802,1242 1.5,1243 1.153,1244 1.064,1245 1.505,1246 1.376,1247 0.702,1248 1.429,1249 1.113,1250 1.045,1251 1.424,1252 1.305,1253 0.479,1254 1.35,1255 4.29,1257 5.624,1259 7.154,1261 8.772,1263 10.435,1265 1.984,1271 3.657,1272 2.753,1273 11.675,1275 0.115,1276 2.157,1280 36.718,1281 87.527,1282 210.475,1283 277.72,1284 301.72,1285 303.72,1286 303.72,1287 56.455,1288 8.366,1289 80.76,1290 80.76,1291 30,1292 12.691,1293 4.322,1294 3.524,1295 46.119,1296 163,1297 138,1298 0.137,1299 220.706,1300 388.32,1301 530.282,1302 62069,1304 22.079,1305 0.69,1306 0.561,1307 22.079,1308 17.966,1309 15.547,1310 0.432,1311 0.303,1312 10.748,1313 14.931,1314 10.512,1315 8.628,1316 15.547,1317 10.903,1318 14.38,1319 0.282,1320 0.164,1321 14.38,1322 8.34,1323 12.087,1324 0.18,1325 0.089,1326 12.087,1327 5.961,1328 10.155,1329 0.115,1330 0.048,1331 10.155,1332 4.247,1333 8.762,1334 0.075,1335 0.027,1336 8.762,1337 3.141,1338 0.223,1339 97.589,1340 0.202,1341 30.51,1342 0.355,1343 174,1344 516.565,1345 192.258,1346 489.162,1347 668.73,1348 460,1349 205,1350 490.274,1351 223.897,1352 491.582,1353 722.13,1354 464,1355 5.7} {0 CHEMBL519492,1 1.455,2 14.25,3 5.389,4 29.036,5 125.943,6 7.372,7 0.611,8 4.154,9 4.275,10 3.721,11 3.756,12 5.226,13 3.723,14 4.697,15 4.862,16 4.08,17 4.173,18 5.744,19 4.115,20 5.003,21 5.217,22 4.11,23 4.316,24 5.983,25 4.216,26 5.077,27 5.327,28 4.01,29 4.28,30 5.999,31 4.155,32 5.017,33 5.271,34 3.968,35 4.225,36 5.909,37 4.102,38 4.96,39 5.203,40 3.943,41 4.207,42 5.974,43 4.077,44 4.926,45 5.187,46 3.828,47 4.137,48 5.797,49 3.996,50 4.808,51 5.067,52 3.761,53 4.008,54 5.729,55 3.887,56 0.032,57 0.883,58 11.668,59 5.382,60 6.868,61 7.015,62 0.154,63 1.479,64 21.725,65 9.205,66 20.604,67 12.28,68 0.22,69 1.906,70 32.173,71 12.999,72 42.694,73 17.46,74 0.298,75 1.937,76 36.561,77 13.907,78 52.72,79 19.18,80 0.306,81 1.773,82 34.55,83 13.117,84 46.487,85 18.309,86 0.464,87 1.747,88 32.094,89 12.385,90 71.668,91 17.374,92 0.261,93 1.636,94 31.538,95 12.431,96 41.78,97 17.478,98 0.262,99 1.464,100 28.332,101 10.798,102 41.697,103 14.94,104 5,105 50,106 0.234,107 0.563,108 0.733,109 0.83,110 0.838,111 0.838,112 3.502,113 0.925,114 -5.57,115 -5.44,116 -5.07,119 46.6,121 2,122 1,125 3,140 12,141 4,142 2,149 1,150 1,156 1,169 16,172 4,174 1,176 6,178 17,182 5,186 7,189 11,193 7,197 5,199 8,203 4,207 1,208 1,211 14,215 2,218 1,220 2,222 18,226 2,229 1,231 1,233 14,237 3,240 1,242 3,244 12,254 4,256 12,259 1940,260 22.032,261 22.032,262 22.032,263 22.032,264 22.032,265 19.309,266 24.225,267 13.062,268 22.289,269 17.803,270 17.803,271 17.803,272 17.803,273 17.803,274 13.745,275 31.359,276 6.272,277 18.229,278 4.403,279 2.365,280 1.306,281 0.703,282 0.655,283 0.655,284 4.214,288 1,289 1,290 1009,291 3.082,294 77.257,295 415.897,298 138.916,302 2.453,303 26.603,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 68,315 456,316 4.587,317 3.574,318 6.719,319 4.163,320 3.174,321 4.52,322 1.058,323 10.947,324 3.139,325 4.193,326 3.298,327 6.057,328 3.838,329 2.84,330 3.763,331 0.916,332 8.719,333 2.83,334 3.942,335 2.995,336 5.784,337 3.665,338 2.701,339 3.457,340 0.172,341 7.973,342 2.61,343 3.813,344 2.884,345 5.558,346 3.495,347 2.505,348 3.214,350 7.555,351 2.48,352 3.662,353 2.649,354 5.259,355 3.296,356 2.339,357 2.974,359 6.661,360 2.226,361 3.5,362 2.41,363 5.04,364 3.136,365 2.177,366 2.799,368 6.066,369 2.071,370 3.326,371 2.232,372 4.997,373 3.018,374 2.06,375 2.46,377 5.923,378 1.963,379 2.92,380 1.96,381 4.572,382 2.527,383 1.536,384 2.071,386 4.418,387 1.52,388 2.812,389 1.575,390 4.064,391 2.389,392 1.398,393 1.916,395 3.417,396 1.384,397 2.766,398 1.471,399 3.943,400 2.287,401 1.294,402 1.794,404 3.073,405 1.269,406 2.542,407 1.177,408 3.587,409 2.089,410 1.114,411 1.546,413 2.924,414 1.082,415 2.5,416 1.077,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.5,425 1,426 3.414,427 2,428 1,429 1.5,431 2.275,432 1,433 2.046,434 1,435 3.247,436 1.984,437 1,438 1,440 2.136,441 0.983,442 2,443 0.758,444 3.245,445 1.596,446 0.627,447 0.867,449 1.537,450 0.606,451 15.319,452 0.479,453 0.691,454 0.022,455 42.25,456 1.32,457 22,458 0.688,459 20.25,460 0.633,461 26.446,462 0.826,463 33.281,464 0.574,465 31.445,466 0.983,467 8.335,468 0.26,469 7.318,470 0.229,471 0.04,473 0.32,477 1,479 0.644,480 1.052,481 0.776,482 0.963,483 0.514,484 0.898,485 0.701,486 1.048,487 0.922,488 1.028,489 0.509,490 1.005,491 0.895,492 1.076,493 1.037,494 1.104,495 0.779,496 1.092,497 0.878,498 0.949,499 1.012,500 1.027,501 0.798,502 1.033,503 0.747,504 0.815,505 0.921,506 0.93,507 0.73,508 0.945,509 0.535,510 0.814,511 0.989,512 1.009,513 0.465,514 1.051,515 0.576,516 0.87,517 0.916,518 0.997,519 0.556,520 1.003,521 0.801,522 0.811,523 0.881,524 0.877,525 0.79,526 0.888,527 6,528 0.156,529 3.333,530 1.694,531 1.574,532 0.796,533 0.532,534 0.546,535 0.362,536 0.18,537 16481,538 40866,539 2.174,540 44.8,541 1,542 18,543 1,545 2,547 4,550 1.741,551 2.087,552 3.778,553 0.115,559 84.415,560 1.455,561 3.493,562 4.552,563 5.155,564 5.203,565 5.203,566 3.254,567 4.625,568 4.966,569 3.944,570 1956.22,571 8.67,572 29495.6,577 339.763,578 1.198,579 4.954,580 0.167,581 0.005,582 0.067,583 0.035,584 0.037,585 0.019,586 0.013,587 0.015,588 0.011,589 0.005,590 0.373,591 0.33,592 0.75,593 0.406,594 170.754,595 -0.028,596 -0.034,597 0.046,598 0.027,599 -0.017,600 0.044,601 0.01,602 -0.051,603 -0.047,604 -0.055,605 0.059,606 -0.058,607 -0.058,608 -0.109,609 -0.096,610 -0.123,611 0.01,612 -0.116,613 -0.048,614 -0.062,615 -0.035,616 -0.059,617 -0.003,618 -0.046,619 -0.005,621 0.052,622 0.034,623 -0.011,624 0.047,625 0.187,626 0.064,627 -0.033,628 -0.041,629 0.18,630 -0.064,631 0.066,632 -0.026,633 0.049,634 -0.015,635 0.032,636 0.01,637 0.009,638 0.047,639 0.107,640 0.096,641 0.011,642 0.111,643 2.019,644 5.526,645 0.844,646 40.891,647 0.996,648 1.121,649 4.335,650 18.794,651 0.682,652 3.611,653 3.932,654 4.205,655 4.466,656 4.71,657 4.771,658 4.92,659 5.106,660 5.209,661 5.333,662 8.072,663 0.646,664 427.56,665 3.611,666 5.153,667 6.004,668 6.876,669 7.742,670 8.62,671 9.493,672 10.374,673 11.252,674 12.137,675 5.2,678 1,682 1,683 1,687 2,688 13,690 1,693 5,695 22,702 1,713 1,714 58,716 23,717 3,718 36,720 62,721 27,722 20,723 6,724 12,725 1,730 5,731 6,740 2,741 1,743 2,745 21,746 6,747 1,750 1,755 1,759 1,762 1,764 26,765 4,766 2,767 5,773 3,777 0.8,778 1,788 1,792 1,793 4,796 1,815 1,819 4,825 1,827 32,833 5,834 1,837 1,838 1,846 1,847 1.7,850 1,854 15.333,855 10.176,856 6.944,857 3.572,858 3.883,859 1.466,860 1.034,861 5.958,862 12.212,863 3.892,864 4.491,865 5.073,866 5.649,867 6.163,868 6.386,869 6.745,870 7.142,871 7.326,872 7.684,873 0.9,874 49,875 11.881,877 5.153,878 7.693,879 23.041,881 19.591,883 2.193,884 70.167,888 282.506,889 165.005,890 37.921,892 25.145,893 14.96,895 165.005,896 307.651,897 52.881,899 29.397,900 122.762,901 29.85,902 43.917,903 28.875,904 270.735,906 282.506,907 202.925,908 40.105,911 250.382,912 72.229,915 49.307,916 153.619,919 297.467,920 63.066,921 165.005,924 282.506,925 42.242,926 125.887,927 34.796,928 40.105,929 282.506,930 78.026,931 165.005,933 0.581,934 0.336,935 0.179,936 0.1,937 25,938 10,939 0.081,940 5,941 1,942 1.074,943 4.505,944 292.42,945 0.074,946 27,947 148,951 20.78,952 9.176,953 4.735,954 2.231,955 61.24,956 24.273,958 3.387,961 3.507,963 34.796,964 525.537,965 48,970 12.526,974 -0.24,975 57.749,976 65.026,977 0.248,978 0.596,979 0.777,980 0.88,981 0.888,982 0.888,983 5.121,984 1.536,985 5.974,986 5.923,987 4.615,988 5.179,989 1.557,990 6.758,991 4.571,992 6.314,993 1.398,994 7.512,995 4.418,996 4.111,997 4.89,998 0.325,999 7.582,1000 4.04,1001 7.608,1002 1.294,1003 9.146,1004 3.417,1005 6.184,1006 7.364,1007 1.496,1008 10.677,1009 6.104,1010 8.936,1011 1.114,1012 10.839,1013 3.073,1014 6.509,1015 7.943,1016 0.393,1017 12.364,1018 6.413,1019 10.297,1020 1,1021 12.571,1022 2.924,1023 8.024,1024 9.866,1025 1.507,1026 14.968,1027 7.918,1028 11.682,1029 1,1030 14.331,1031 2.275,1032 8.744,1033 10.882,1034 0.384,1035 17.035,1036 8.631,1037 13.087,1038 1,1039 16.112,1040 2.275,1041 10.023,1042 12.564,1043 1.547,1044 19.479,1045 9.9,1046 3.174,1047 0.627,1048 17.911,1049 2.136,1050 10.944,1051 13.815,1052 0.351,1053 21.722,1054 10.816,1055 2.84,1056 10.947,1057 19.723,1058 1.537,1059 12.124,1060 15.388,1061 1.603,1062 24.117,1063 11.986,1064 2.701,1065 8.719,1066 21.547,1067 4.52,1068 13.147,1069 16.763,1070 0.312,1071 26.438,1072 13.004,1073 2.505,1074 7.973,1075 23.381,1076 3.763,1077 14.289,1078 18.29,1079 1.67,1080 28.823,1081 14.137,1082 2.339,1083 7.555,1084 25.224,1085 3.457,1086 15.365,1087 19.728,1088 0.273,1089 31.18,1090 15.206,1091 2.177,1092 6.661,1093 27.074,1094 3.214,1095 16.495,1096 21.237,1097 1.744,1098 33.564,1099 16.327,1100 2.06,1101 6.066,1102 28.931,1103 2.974,1104 17.6,1105 22.708,1106 0.236,1107 35.939,1108 17.424,1109 15189,1110 24126,1111 24.849,1112 39.546,1113 54.218,1114 55.083,1115 54.611,1116 53.801,1117 53.717,1118 70.972,1119 4.294,1120 152.266,1121 52.503,1122 5.587,1123 5.574,1124 6.521,1125 5.198,1126 5.174,1127 7.52,1128 2.117,1129 18.08,1130 5.139,1131 10.963,1132 1.506,1133 1.53,1134 1.517,1135 1.494,1136 1.492,1137 1.971,1138 0.119,1139 4.23,1140 1.458,1141 4.151,1142 4.186,1143 4.108,1144 4.068,1145 8.201,1146 4.073,1147 3.932,1148 3.972,1149 3.876,1150 3.859,1151 7.429,1152 3.854,1153 3.919,1154 3.945,1155 3.851,1156 3.84,1157 4.966,1158 3.842,1159 3.764,1160 3.818,1161 3.651,1162 3.645,1163 4.754,1164 3.638,1165 3.49,1166 3.546,1167 3.427,1168 3.307,1169 4.602,1170 3.325,1171 3.25,1172 3.305,1173 3.173,1174 3.07,1175 4.358,1176 3.086,1177 3.153,1178 3.206,1179 3.035,1180 2.979,1181 4.253,1182 2.988,1183 3.111,1184 3.202,1185 2.866,1186 2.941,1187 3.838,1188 2.91,1189 0.127,1190 0.099,1191 0.187,1192 0.116,1193 0.088,1194 4.587,1195 0.126,1196 3.574,1197 0.029,1198 6.719,1199 0.304,1200 4.163,1201 0.087,1202 3.174,1203 4.52,1204 1.058,1205 10.947,1206 3.139,1207 1.974,1208 1.948,1209 2.098,1210 2.077,1211 1.452,1212 2.086,1213 1.921,1214 1.889,1215 2.032,1216 2.032,1217 1.171,1218 2.032,1219 1.881,1220 1.859,1221 1.991,1222 1.967,1223 1.116,1224 1.975,1225 1.797,1226 1.747,1227 1.951,1228 1.931,1229 1.054,1230 1.943,1231 1.448,1232 1.384,1233 1.621,1234 1.67,1235 0.825,1236 1.66,1237 1.246,1238 1.203,1239 1.513,1240 1.496,1241 0.79,1242 1.471,1243 1.153,1244 1.082,1245 1.449,1246 1.376,1247 0.591,1248 1.429,1249 1.14,1250 1.064,1251 1.311,1252 1.355,1253 0.401,1254 1.36,1255 4.29,1257 5.609,1258 2.398,1259 7.12,1260 4.727,1261 8.713,1262 6.843,1263 10.347,1267 13.132,1271 5.388,1272 2.941,1275 0.499,1276 2.523,1280 37.484,1281 84.415,1282 202.584,1283 263.988,1284 299.008,1285 301.763,1286 301.763,1287 52.465,1288 8.329,1289 48.13,1290 48.13,1291 29,1292 12.671,1293 4.585,1294 3.7,1295 45.922,1296 152,1297 159,1298 0.143,1299 226.173,1300 389.08,1301 543.621,1302 56292,1303 1.7,1304 21.916,1305 0.685,1306 0.558,1307 21.045,1308 17.852,1309 15.653,1310 0.435,1311 0.308,1312 10.992,1313 15.235,1314 10.777,1315 8.891,1316 15.259,1317 11.098,1318 14.098,1319 0.282,1320 0.17,1321 13.476,1322 8.501,1323 12.036,1324 0.182,1325 0.096,1326 11.625,1327 6.354,1328 9.981,1329 0.116,1330 0.054,1331 9.83,1332 4.606,1333 8.269,1334 0.075,1335 0.031,1336 8.057,1337 3.362,1338 0.23,1339 96.836,1340 0.201,1341 30.465,1342 0.377,1343 172,1344 474.157,1345 183.901,1346 443.884,1347 606.73,1348 416,1349 202,1350 444.308,1351 213.565,1352 449.916,1353 656.06,1354 425,1355 6} {0 CHEMBL520129,1 1.673,2 11.581,3 3.086,4 9.52,5 119.199,6 8.199,7 0.6,8 4.092,9 4.193,10 3.881,11 3.71,12 5.156,13 3.671,14 4.647,15 4.786,16 4.224,17 4.131,18 5.88,19 4.076,20 4.945,21 5.137,22 4.342,23 4.287,24 6.08,25 4.197,26 4.993,27 5.19,28 4.326,29 4.224,30 6.244,31 4.149,32 4.882,33 5.067,34 4.199,35 4.09,36 6.189,37 4.047,38 4.765,39 4.937,40 4.047,41 4.056,42 6.042,43 4.001,44 4.737,45 4.938,46 3.974,47 4.051,48 5.836,49 3.966,50 4.689,51 4.896,52 3.883,53 3.982,54 5.894,55 3.87,56 0.12,57 0.821,58 12.229,59 5.112,60 17.344,61 5.872,62 0.371,63 1.355,64 19.923,65 8.527,66 53.938,67 10.499,68 0.389,69 1.731,70 32.343,71 12.541,72 59.818,73 15.162,74 0.539,75 1.763,76 38.046,77 13.06,78 78.924,79 14.828,80 0.58,81 1.542,82 34.338,83 10.947,84 95.674,85 11.948,86 0.569,87 1.392,88 27.097,89 9.497,90 80.132,91 10.884,92 0.379,93 1.355,94 24.96,95 9.658,96 61.197,97 12.199,98 0.442,99 1.313,100 24.243,101 9.471,102 87.345,103 12.169,104 10,105 51,106 0.273,107 0.587,108 0.736,109 0.851,110 0.89,111 0.902,112 3.472,113 1.003,114 -3.61,115 -3.58,116 -3.41,119 43.4,121 2,122 1,125 2,140 10,141 3,142 2,143 1,150 1,156 1,164 1,169 13,171 3,172 4,174 1,176 5,178 15,181 2,182 10,186 3,189 10,193 20,195 2,196 1,197 2,199 7,203 15,206 1,211 9,214 1,215 10,218 2,220 2,222 12,225 1,226 3,231 3,233 13,236 2,237 4,240 1,242 4,244 9,249 5,252 1,254 3,256 6,259 1580,260 21.117,261 21.117,262 21.117,263 21.117,264 21.117,265 18.384,266 16.669,267 12.351,268 21.394,269 17.293,270 17.293,271 17.293,272 17.293,273 17.293,274 13.035,275 20.103,276 5.847,277 17.749,278 4.055,279 2.124,280 1.207,281 0.505,282 0.264,283 0.189,284 4.18,288 1,289 1,290 798,291 3.742,294 66.473,295 331.058,298 120.13,299 130.069,302 1.788,303 41.889,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 359,316 5.057,317 4.741,318 7.792,319 4.54,320 3.605,321 5.026,322 1.907,323 14.27,324 3.357,325 4.481,326 3.716,327 6.587,328 3.987,329 3.006,330 4.432,331 0.4,332 10.325,333 2.948,334 4.242,335 3.06,336 6.189,337 3.818,338 2.82,339 4.07,340 0.149,341 9.028,342 2.808,343 3.982,344 2.788,345 6.043,346 3.684,347 2.694,348 3.242,350 8.644,351 2.652,352 3.574,353 2.413,354 5.359,355 3.217,356 2.25,357 2.886,359 6.705,360 2.171,361 3.291,362 2.264,363 5.214,364 2.815,365 1.831,366 2.648,368 5.795,369 1.797,370 3.118,371 1.927,372 4.627,373 2.694,374 1.709,375 2.427,377 4.457,378 1.675,379 3.054,380 1.618,381 4.238,382 2.618,383 1.618,384 2.309,386 3.953,387 1.618,388 2.905,389 1.54,390 4.162,391 2.483,392 1.497,393 1.909,395 3.655,396 1.474,397 2.761,398 1.515,399 3.935,400 2.26,401 1.262,402 1.889,404 3.063,405 1.26,406 2.64,407 1.27,408 3.586,409 2.131,410 1.167,411 1.692,413 2.781,414 1.121,415 2.241,416 1.199,417 3.455,418 2.015,419 1.018,420 1.143,422 2.468,423 1.008,424 2.19,425 1.136,426 3.353,427 1.955,428 1,429 1.093,431 2.136,432 0.952,433 2.059,434 0.881,435 3.247,436 1.732,437 0.744,438 1,440 1.782,441 0.733,442 2,443 0.66,444 3.215,445 1.538,446 0.554,447 0.822,449 1.395,450 0.544,451 14.933,452 0.482,453 0.807,454 0.026,455 42.75,456 1.379,457 23,458 0.742,459 19.75,460 0.637,461 24.619,462 0.794,463 32.467,464 0.613,465 34.717,466 1.12,467 8.064,468 0.26,469 6.973,470 0.225,471 0.067,472 0.056,473 0.295,479 0.512,480 1.165,481 0.782,482 1.116,483 0.588,484 0.881,485 0.563,486 1.145,487 0.807,488 0.983,489 0.546,490 0.973,491 0.854,492 1.07,493 0.92,494 0.994,495 0.789,496 0.944,497 1.307,498 1.019,499 1.129,500 1.063,501 1.29,502 0.918,503 1.776,504 0.977,505 1.177,506 0.968,507 1.813,508 0.833,509 1.444,510 0.958,511 1.145,512 0.939,513 1.517,514 0.961,515 0.924,516 0.957,517 0.835,518 0.893,519 0.95,520 0.981,521 0.591,522 1.035,523 0.938,524 1.025,525 0.462,526 1.103,527 6,528 0.158,529 4.444,530 2.785,531 2.183,532 1.104,533 0.645,534 0.502,535 0.317,536 0.211,537 13148,538 33856,539 2.151,540 41.5,541 2,542 14,544 1,545 2,546 1,547 2,550 1.739,551 2.033,552 3.491,553 0.225,555 1,559 88.675,560 1.673,561 3.604,562 4.521,563 5.223,564 5.464,565 5.539,566 2.927,567 4.632,568 4.925,569 3.64,570 1692.68,571 8.614,572 23361.9,574 1,577 303.58,578 1.459,579 4.889,580 0.171,581 0.007,582 0.087,583 0.052,584 0.042,585 0.023,586 0.015,587 0.013,588 0.009,589 0.007,590 0.425,591 0.33,592 0.88,593 0.486,594 159.484,595 0.109,596 -0.011,597 0.198,598 -0.031,599 -0.094,600 0.048,601 0.239,602 -0.056,603 0.059,604 -0.019,605 0.163,606 -0.054,607 0.04,608 -0.048,609 0.113,610 0.034,611 0.058,612 0.035,613 -0.057,614 0.002,615 0.035,616 -0.002,618 0.044,619 -0.254,620 0.033,621 -0.045,622 0.056,623 -0.154,624 0.096,625 -0.144,626 0.065,627 -0.196,628 0.005,629 -0.142,630 -0.049,631 -0.048,632 0.014,633 -0.003,634 0.015,635 -0.085,636 -0.012,637 0.193,638 -0.047,639 -0.042,640 -0.081,641 0.246,642 -0.119,643 4.848,644 6.509,645 0.806,646 30.158,647 1.008,648 1.118,649 2.377,650 5.652,651 0.696,652 3.584,653 3.951,654 4.277,655 4.575,656 4.812,657 4.883,658 5.043,659 5.198,660 5.293,661 5.371,662 6.733,663 0.663,664 434.56,665 3.584,666 5.153,667 6.033,668 6.94,669 7.839,670 8.753,671 9.66,672 10.578,673 11.49,674 12.412,675 7.5,677 1,682 1,683 1,685 1,687 4,688 11,689 1,693 2,694 1,695 21,714 53,716 24,717 3,718 35,720 57,721 23,722 17,723 6,724 10,730 5,731 7,740 2,741 1,743 2,745 18,746 5,747 1,750 3,753 1,755 3,759 1,761 1,764 22,765 6,766 2,767 8,768 1,773 4,777 0.6,778 3,784 1,792 1,793 4,796 1,797 1,805 1,814 1,819 3,821 1,827 31,830 1,833 4,834 2,837 1,847 5.7,850 3,854 15.25,855 9.317,856 6.639,857 3.225,858 4.341,859 1.526,860 1.044,861 5.165,862 12.593,863 3.902,864 4.582,865 5.232,866 5.891,867 6.47,868 6.852,869 7.315,870 7.773,871 8.088,872 8.391,873 0.875,874 54,875 11.858,877 5.592,878 7.852,879 22.06,881 19.155,883 2.352,884 72.917,887 1,888 235.422,889 137.773,890 52.855,892 69.458,894 5.807,895 131.966,896 304.88,897 52.855,899 27.291,900 118.581,901 102.597,902 21.245,903 2.144,904 223.651,906 235.422,907 184.821,908 69.458,909 5.807,911 211.88,912 93,915 54.52,916 113.638,917 22.47,919 235.422,920 122.313,921 137.773,923 5.807,924 235.422,925 28.156,926 103.981,927 36.022,928 86.121,929 235.422,930 122.313,931 137.773,933 0.59,934 0.357,935 0.198,936 0.107,937 27,938 11,939 0.07,940 4,941 2,942 1.16,943 4.17,944 299.198,945 0.16,946 25,947 147.58,950 1,951 20.044,952 7.989,953 3.687,954 2.589,955 122.142,956 19.282,957 4.166,961 0.747,962 1.044,963 36.022,964 495.508,965 48.5,968 -3.932,970 39.617,974 -0.061,975 53.418,976 59.278,977 0.292,978 0.629,979 0.789,980 0.912,981 0.954,982 0.967,983 5.155,984 1.618,985 6.052,986 4.457,987 4.635,988 5.27,989 1.997,990 6.952,991 4.581,992 6.405,993 1.497,994 7.67,995 3.953,996 4.369,997 5.359,998 1.593,999 8.214,1000 4.255,1001 7.768,1002 1.262,1003 9.409,1004 3.655,1005 6.34,1006 7.666,1007 2.907,1008 11.353,1009 6.206,1010 9.179,1011 1.167,1012 11.227,1013 3.063,1014 6.948,1015 8.629,1016 3.032,1017 13.503,1018 6.73,1019 10.633,1020 1.018,1021 13.098,1022 2.781,1023 8.419,1024 10.449,1025 4.038,1026 16.262,1027 8.172,1028 12.118,1029 1,1030 15.007,1031 2.468,1032 9.402,1033 11.776,1034 4.409,1035 18.731,1036 9.063,1037 13.627,1038 0.744,1039 16.944,1040 2.136,1041 10.708,1042 13.433,1043 5.25,1044 21.404,1045 10.322,1046 3.605,1047 0.554,1048 18.904,1049 1.782,1050 11.85,1051 14.912,1052 5.75,1053 23.989,1054 11.373,1055 3.006,1056 14.27,1057 20.88,1058 1.395,1059 13.11,1060 16.516,1061 6.501,1062 26.645,1063 12.569,1064 2.82,1065 10.325,1066 22.871,1067 5.026,1068 14.32,1069 18.058,1070 7.068,1071 29.274,1072 13.691,1073 2.694,1074 9.028,1075 24.873,1076 4.432,1077 15.574,1078 19.649,1079 7.771,1080 31.928,1081 14.871,1082 2.25,1083 8.644,1084 26.884,1085 4.07,1086 16.816,1087 21.22,1088 8.374,1089 34.573,1090 16.027,1091 1.831,1092 6.705,1093 28.903,1094 3.242,1095 18.075,1096 22.811,1097 9.051,1098 37.229,1099 17.207,1100 1.709,1101 5.795,1102 30.928,1103 2.886,1104 19.333,1105 24.396,1106 9.674,1107 39.881,1108 18.38,1109 12161,1110 19756,1111 23.75,1112 36.887,1113 53.623,1114 55.248,1115 54.574,1116 53.574,1117 53.547,1118 73.178,1119 4.912,1120 160.913,1121 52.235,1122 6.057,1123 6.741,1124 7.594,1125 5.615,1126 5.605,1127 8.026,1128 3.306,1129 22.937,1130 5.357,1131 11.964,1132 1.532,1133 1.579,1134 1.559,1135 1.531,1136 1.53,1137 2.091,1138 0.14,1139 4.598,1140 1.492,1141 4.24,1142 4.243,1143 4.78,1144 4.198,1145 7.716,1146 4.148,1147 4.037,1148 4.062,1149 4,1150 3.97,1151 7.428,1152 3.974,1153 3.869,1154 3.924,1155 3.918,1156 3.727,1157 6.999,1158 3.715,1159 3.712,1160 3.695,1161 3.739,1162 3.666,1163 5,1164 3.59,1165 3.446,1166 3.498,1167 3.365,1168 3.326,1169 4.87,1170 3.314,1171 3.376,1172 3.403,1173 3.31,1174 3.205,1175 4.412,1176 3.212,1177 3.175,1178 3.224,1179 3.09,1180 3.019,1181 4.34,1182 3.017,1183 3.04,1184 3.151,1185 2.841,1186 2.846,1187 4.314,1188 2.832,1189 0.144,1190 0.135,1191 0.223,1192 0.13,1193 0.103,1194 5.057,1195 0.144,1196 4.741,1197 0.054,1198 7.792,1199 0.408,1200 4.54,1201 0.096,1202 3.605,1203 5.026,1204 1.907,1205 14.27,1206 3.357,1207 2.106,1208 2.105,1209 2.144,1210 2.153,1211 1.39,1212 2.177,1213 1.944,1214 1.921,1215 2.051,1216 2.051,1217 1.342,1218 2.053,1219 1.823,1220 1.769,1221 1.996,1222 1.982,1223 1.162,1224 1.995,1225 1.627,1226 1.647,1227 1.66,1228 1.775,1229 0.836,1230 1.797,1231 1.409,1232 1.373,1233 1.537,1234 1.565,1235 0.807,1236 1.576,1237 1.317,1238 1.266,1239 1.423,1240 1.552,1241 0.599,1242 1.544,1243 1.141,1244 1.092,1245 1.373,1246 1.335,1247 0.579,1248 1.366,1249 1.025,1250 0.941,1251 1.271,1252 1.306,1253 0.404,1254 1.324,1255 4.263,1257 5.617,1258 2.398,1259 7.18,1260 4.727,1261 8.837,1262 6.862,1263 10.543,1271 3.393,1272 6.161,1275 -0.089,1280 35.158,1281 88.675,1282 191.023,1283 239.606,1284 276.825,1285 289.58,1286 293.58,1287 64.283,1288 8.252,1289 93.09,1290 101.47,1291 29,1292 12.921,1293 4.644,1294 3.858,1295 43.579,1296 124,1297 136,1298 0.17,1299 215.45,1300 363.54,1301 517.458,1302 49046,1304 21.424,1305 0.691,1306 0.568,1307 21.674,1308 17.601,1309 15.037,1310 0.43,1311 0.334,1312 10.275,1313 13.83,1314 9.981,1315 8.234,1316 15.826,1317 11.706,1318 13.965,1319 0.274,1320 0.187,1321 15.247,1322 9.512,1323 12.168,1324 0.171,1325 0.104,1326 13.482,1327 7.387,1328 10.514,1329 0.11,1330 0.058,1331 11.88,1332 5.587,1333 8.556,1334 0.07,1335 0.033,1336 9.863,1337 4.05,1338 0.265,1339 101.563,1340 0.205,1341 28.858,1342 0.475,1343 172,1344 492.023,1345 226.876,1346 499.812,1347 687.38,1348 462,1349 208,1350 487.752,1351 274.391,1352 530.946,1353 784.64,1354 500,1355 5.699} {0 CHEMBL521235,1 1.315,2 7.059,3 2.068,4 4.277,5 72.56,6 6.371,7 0.526,8 3.671,9 3.823,10 3.12,11 3.201,12 4.621,13 3.151,14 4.241,15 4.449,16 3.472,17 3.646,18 5.072,19 3.564,20 4.514,21 4.752,22 3.457,23 3.814,24 5.287,25 3.671,26 4.625,27 4.914,28 3.293,29 3.772,30 5.3,31 3.58,32 4.486,33 4.793,34 3.143,35 3.565,36 5.166,37 3.375,38 4.251,39 4.539,40 2.93,41 3.351,42 5.004,43 3.176,44 4.088,45 4.396,46 2.627,47 3.117,48 4.831,49 2.913,50 3.872,51 4.218,52 2.074,53 2.742,54 4.573,55 2.484,56 0.056,57 0.551,58 8.863,59 3.213,60 7.696,61 4.891,62 0.117,63 0.898,64 15.814,65 5.62,66 11.487,67 8.603,68 0.132,69 1.088,70 20.608,71 7.855,72 16.415,73 11.771,74 0.146,75 1.097,76 22.954,77 8.645,78 17.722,79 13.052,80 0.164,81 0.931,82 20.076,83 7.142,84 18.357,85 10.963,86 0.169,87 0.766,88 16.086,89 5.154,90 15.673,91 8.165,92 0.111,93 0.616,94 13.523,95 4.391,96 14.293,97 6.996,98 0.137,99 0.455,100 10.974,101 3.278,102 14.511,103 5.32,104 5,105 27,106 0.242,107 0.622,108 0.791,109 0.816,110 0.816,111 0.816,112 2.91,113 0.993,114 -2.95,115 -2.96,116 -2.85,119 38.9,121 2,122 1,124 1,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 6,172 2,176 5,178 7,180 2,182 1,186 5,189 6,191 2,193 1,197 3,199 4,201 1,203 1,207 1,208 1,210 1,211 3,213 1,215 1,218 1,220 2,222 2,224 2,226 1,237 1,239 1,240 1,259 294,260 11.516,261 11.516,262 11.516,263 11.516,264 11.516,265 10.359,266 14.529,267 6.71,268 11.706,269 9.375,270 9.375,271 9.375,272 9.375,273 9.375,274 7.619,275 16.562,276 3.203,277 9.671,278 3.855,279 1.792,280 0.875,281 0.743,282 0.743,283 0.743,284 3.586,288 1,289 1,290 261,291 1.732,294 30.93,295 83.764,298 58.266,302 1.017,303 7.345,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 35.5,315 120,316 4.583,317 3.297,318 6.717,319 4.157,320 3.168,321 4.518,322 0.8,323 10.935,324 3.134,325 3.781,326 2.781,327 5.765,328 3.567,329 2.594,330 3.13,332 7.831,333 2.53,334 3.518,335 2.519,336 5.041,337 3.211,338 2.262,339 2.805,341 6.054,342 2.144,343 3.293,344 2.191,345 4.958,346 3.015,347 2.06,348 2.39,350 5.797,351 1.958,352 2.849,353 1.522,354 4.542,355 2.486,356 1.502,357 1.953,359 4.348,360 1.476,361 2.549,362 1.163,363 3.954,364 2.105,365 1.142,366 1.565,368 3.009,369 1.098,370 2.036,371 1.077,372 3.414,373 1.984,374 1,375 1,377 2.275,378 0.983,379 2,380 0.682,381 3.23,382 1.589,383 0.623,384 0.86,386 1.507,387 0.601,388 1.054,389 0.042,390 2.492,391 0.821,392 -0.144,393 -0.158,395 -0.321,396 -0.139,397 0.775,398 -0.275,399 2.375,400 0.523,401 -0.434,402 -0.522,404 -1.025,405 -0.414,406 0.589,407 -0.782,408 2,409 0.119,410 -0.873,411 -1,413 -2.661,414 -0.866,415 0.072,416 -0.784,417 2,418 -0.049,419 -1,420 -1.194,422 -2.911,423 -0.946,425 -0.922,426 1.863,427 -0.211,428 -1.149,429 -1.352,431 -3,432 -1.075,433 -0.073,434 -1.222,435 1.585,436 -0.418,437 -1.367,438 -1.591,440 -3.243,441 -1.292,442 -0.304,443 -1.452,444 1.113,445 -0.568,446 -1.538,447 -2,449 -4.59,450 -1.495,451 8.2,452 0.482,453 0.435,454 0.026,455 19.5,456 1.147,457 8.5,458 0.5,459 11,460 0.647,461 13.479,462 0.793,463 18.8,464 0.522,465 11.152,466 0.656,467 3.635,468 0.214,469 4.602,470 0.271,471 0.11,473 0.354,479 1.239,480 1.31,481 0.974,482 1.066,483 1.264,484 1.007,485 1.262,486 1.047,487 0.984,488 0.938,489 0.589,490 0.936,491 0.933,492 1.135,493 1.112,494 1.174,495 0.848,496 1.162,497 0.711,498 1.04,499 0.979,500 1.085,501 0.757,502 1.061,503 0.69,504 0.966,505 0.864,506 0.963,507 0.667,508 0.935,509 1.293,510 1.004,511 1.153,512 1.04,513 1.341,514 1.077,515 1.112,516 1.091,517 1.058,518 1.059,519 1.461,520 1.054,521 1.281,522 0.764,523 1.082,524 0.869,525 1.583,526 0.942,527 3.5,529 2.222,530 1.007,531 0.881,532 0.455,533 0.267,534 0.168,535 0.082,536 0.016,537 2322,538 4460,539 2.127,540 52.8,541 1,542 10,543 1,545 3,547 4,550 1.571,551 2,552 2.854,553 1.136,555 1,556 1,557 1,559 47.349,560 1.315,561 3.377,562 4.295,563 4.427,564 4.427,565 4.427,566 2.257,567 3.735,568 4.06,569 2.913,570 396.145,571 6.871,572 3462.76,573 1,574 1,576 1,577 186.117,578 1.379,579 4.023,580 0.184,582 0.082,583 0.04,584 0.044,585 0.027,586 0.021,587 0.019,588 0.021,589 0.008,590 0.445,591 1,592 1,593 0.604,594 69.081,595 -0.077,596 -0.037,597 0.053,598 0.045,599 -0.115,600 0.058,601 -0.142,602 0.11,603 0.024,604 0.113,605 0.118,606 0.089,607 -0.108,608 -0.084,609 -0.147,610 -0.126,611 -0.03,612 -0.138,613 0.007,614 -0.113,615 -0.035,616 -0.086,617 -0.023,618 -0.068,619 0.156,620 -0.065,621 0.091,622 -0.005,623 0.133,624 0.03,625 -0.077,626 -0.016,627 -0.162,628 -0.114,629 -0.187,630 -0.14,631 -0.065,632 -0.175,633 -0.088,634 -0.137,635 -0.146,636 -0.118,637 -0.022,638 0.099,639 -0.101,640 -0.024,641 -0.162,642 -0.062,643 0.814,644 1.881,645 0.882,646 9.488,647 0.983,648 1.134,649 1.722,650 2.966,651 0.642,652 2.996,653 3.332,654 3.611,655 3.892,656 4.127,657 4.159,658 4.205,659 4.277,660 4.19,661 4.007,662 4.222,663 0.591,664 229.36,665 2.996,666 4.533,667 5.389,668 6.275,669 7.154,670 8.045,671 8.933,672 9.827,673 10.719,674 11.615,675 8.3,678 1,679 1,683 1,687 2,688 4,690 1,693 2,695 10,705 1,714 36,716 10,717 1,718 19,720 38,721 14,722 8,723 3,724 3,730 3,731 4,740 2,741 1,743 2,745 8,746 6,747 1,761 1,764 19,765 2,766 3,767 3,773 3,777 0.667,788 1,792 1,793 2,796 1,815 1,819 2,823 1,827 17,828 1,833 4,837 1,838 1,854 8.5,855 6.45,856 3.667,857 2.199,858 2.075,859 1.322,860 1.019,861 2.747,862 8.531,863 3.219,864 3.834,865 4.45,866 5.078,867 5.581,868 5.891,869 6.215,870 6.551,871 6.373,872 6.377,873 0.8,874 25,875 6.293,877 2.664,878 7.412,879 12.605,881 10.836,883 1.912,884 32.5,885 0.005,888 188.338,889 65.812,890 52.807,895 65.812,896 188.338,897 52.807,898 8.396,899 9.28,900 70.373,902 28.425,903 13.915,904 176.567,906 188.338,907 118.619,911 141.253,912 47.084,915 29.19,916 89.429,919 188.338,920 52.807,921 65.812,924 188.338,925 19.94,926 48.997,927 16.786,928 32.897,929 188.338,930 52.807,931 65.812,933 0.588,934 0.339,935 0.184,936 0.108,937 15,938 6,939 0.026,940 1,941 1,942 1.133,943 2.963,944 123.279,945 0.133,946 15,947 65.487,951 10.964,952 4.26,953 2.017,954 2.507,955 36.022,956 8.292,958 3.355,961 2.298,963 49.683,964 306.957,965 24,975 35.374,976 40.817,977 0.254,978 0.653,979 0.831,980 0.856,981 0.856,982 0.856,983 4.46,984 0.623,985 5.38,986 2.275,987 4.007,988 4.516,989 0.673,990 6.196,991 3.953,992 5.659,993 -0.144,994 6.94,995 1.507,996 3.611,997 4.388,998 0.325,999 7.111,1000 3.531,1001 6.968,1002 -0.434,1003 8.6,1004 -0.321,1005 5.602,1006 6.761,1007 0.379,1008 10.219,1009 5.51,1010 8.315,1011 -0.873,1012 10.318,1013 -1.025,1014 6.019,1015 7.526,1016 0.268,1017 12.004,1018 5.915,1019 9.699,1020 -1,1021 12.077,1022 -2.661,1023 7.493,1024 9.382,1025 0.239,1026 14.64,1027 7.379,1028 11.11,1029 -1.149,1030 13.864,1031 -2.911,1032 8.292,1033 10.561,1034 0.188,1035 16.785,1036 8.174,1037 12.544,1038 -1.367,1039 15.675,1040 -3,1041 9.559,1042 12.211,1043 0.156,1044 19.263,1045 9.432,1046 3.168,1047 -1.538,1048 17.503,1049 -3.243,1050 10.543,1051 13.578,1052 0.125,1053 21.555,1054 10.413,1055 2.594,1056 10.935,1057 19.345,1058 -4.59,1059 11.729,1060 15.144,1061 0.102,1062 23.977,1063 11.591,1064 2.262,1065 7.831,1066 21.199,1067 4.518,1068 12.8,1069 16.593,1070 0.082,1071 26.328,1072 12.658,1073 2.06,1074 6.054,1075 23.062,1076 3.13,1077 13.957,1078 18.124,1079 0.066,1080 28.73,1081 13.806,1082 1.502,1083 5.797,1084 24.932,1085 2.805,1086 15.07,1087 19.607,1088 0.054,1089 31.105,1090 14.912,1091 1.142,1092 4.348,1093 26.808,1094 2.39,1095 16.218,1096 21.124,1097 0.043,1098 33.5,1099 16.052,1100 1,1101 3.009,1102 28.69,1103 1.953,1104 17.35,1105 22.621,1106 0.035,1107 35.885,1108 17.176,1109 2278,1110 3215,1111 12.83,1112 23.108,1113 29.005,1114 28.544,1115 29.766,1116 28.734,1117 28.703,1118 36.442,1119 1.6,1120 83.513,1121 27.846,1122 5.583,1123 5.297,1124 6.131,1125 5.192,1126 5.168,1127 7.518,1128 1.2,1129 18.064,1130 5.134,1131 6.891,1132 1.527,1133 1.502,1134 1.567,1135 1.512,1136 1.511,1137 1.918,1138 0.084,1139 4.395,1140 1.466,1141 4.142,1142 4.178,1143 4.098,1144 4.06,1145 5.14,1146 4.065,1147 3.809,1148 3.876,1149 3.685,1150 3.664,1151 4.826,1152 3.66,1153 3.456,1154 3.528,1155 3.36,1156 3.288,1157 4.343,1158 3.297,1159 3.211,1160 3.31,1161 3.034,1162 2.983,1163 4.051,1164 2.982,1165 3.111,1166 3.206,1167 2.866,1168 2.941,1169 3.813,1170 2.91,1171 2.942,1172 3.022,1173 2.773,1174 2.797,1175 3.618,1176 2.782,1177 2.696,1178 2.833,1179 2.481,1180 2.419,1181 3.474,1182 2.398,1183 2.635,1184 2.749,1185 2.337,1186 2.367,1187 3.124,1188 2.363,1189 0.241,1190 0.174,1191 0.354,1192 0.219,1193 0.167,1194 4.583,1195 0.238,1196 3.297,1197 0.042,1198 6.717,1199 0.576,1200 4.157,1201 0.165,1202 3.168,1203 4.518,1204 0.8,1205 10.935,1206 3.134,1207 1.961,1208 1.936,1209 2.084,1210 2.059,1211 1.442,1212 2.069,1213 1.821,1214 1.767,1215 1.982,1216 1.988,1217 1.125,1218 1.991,1219 1.462,1220 1.395,1221 1.664,1222 1.689,1223 0.825,1224 1.684,1225 1.201,1226 1.109,1227 1.513,1228 1.48,1229 0.806,1230 1.498,1231 1.153,1232 1.064,1233 1.51,1234 1.376,1235 0.574,1236 1.429,1237 1.031,1238 0.954,1239 1.285,1240 1.287,1241 0.348,1242 1.303,1243 0.796,1244 0.717,1245 1.113,1246 1.043,1247 0.209,1248 1.076,1249 0.643,1250 0.52,1251 1.07,1252 0.941,1253 0.093,1254 0.993,1255 3.664,1257 4.99,1258 2.398,1259 6.515,1260 4.727,1261 8.128,1262 6.843,1263 9.787,1265 2.198,1269 5.881,1271 4.885,1275 0.682,1276 2.402,1280 21.279,1281 47.349,1282 121.588,1283 154.608,1284 159.362,1285 159.362,1286 159.362,1287 18.411,1288 6.455,1289 45.05,1290 45.05,1291 17,1292 12.14,1293 3.459,1294 2.585,1295 23.684,1296 42,1297 45,1298 0.287,1299 131.556,1300 214.32,1301 312.757,1302 4497,1304 11.828,1305 0.696,1306 0.602,1307 11.828,1308 10.24,1309 8.237,1310 0.434,1311 0.331,1312 6.225,1313 8.02,1314 6.043,1315 5.019,1316 8.237,1317 6.289,1318 7.603,1319 0.282,1320 0.19,1321 7.603,1322 5.127,1323 6.397,1324 0.178,1325 0.108,1326 6.397,1327 3.896,1328 5.29,1329 0.11,1330 0.059,1331 5.29,1332 2.817,1333 4.461,1334 0.073,1335 0.035,1336 4.461,1337 2.106,1338 0.428,1339 50.863,1340 0.279,1341 16.819,1342 0.85,1343 92,1344 183.29,1345 96.496,1346 186.947,1347 264.96,1348 176,1349 109,1350 202.577,1351 113.996,1352 211.085,1353 307.14,1354 198,1355 7.402} {0 CHEMBL521506,1 1.591,2 13.355,3 3.991,4 15.927,5 122.358,6 7.803,7 0.486,8 4.136,9 4.252,10 3.755,11 3.695,12 5.168,13 3.672,14 4.708,15 4.884,16 4.148,17 4.108,18 5.717,19 4.069,20 4.978,21 5.179,22 4.209,23 4.29,24 5.978,25 4.209,26 5.027,27 5.256,28 4.126,29 4.296,30 5.884,31 4.165,32 5.05,33 5.313,34 4.079,35 4.264,36 5.855,37 4.117,38 4.973,39 5.217,40 4.013,41 4.177,42 5.846,43 4.026,44 4.858,45 5.099,46 3.739,47 4.011,48 5.729,49 3.85,50 4.699,51 4.966,52 3.595,53 3.845,54 5.477,55 3.701,56 0.018,57 0.826,58 10.957,59 5.021,60 5.645,61 6.568,62 0.233,63 1.385,64 22.843,65 8.415,66 22.417,67 11.313,68 0.535,69 1.722,70 33.501,71 11.334,72 49.351,73 15.267,74 0.31,75 1.736,76 35.285,77 13.533,78 34.103,79 18.815,80 0.284,81 1.729,82 38.385,83 13.885,84 36.632,85 19.609,86 0.379,87 1.553,88 40.188,89 12.778,90 43.795,91 17.419,92 0.516,93 1.369,94 38.314,95 11.065,96 49.269,97 15.054,98 0.28,99 1.222,100 26.247,101 9.286,102 29.108,103 13.24,104 10,105 50,106 0.26,107 0.592,108 0.758,109 0.859,110 0.859,111 0.859,112 3.471,113 0.945,114 -3.91,115 -3.87,116 -3.67,119 42.9,120 1,121 1,125 6,140 7,141 2,142 4,144 2,156 1,169 6,172 8,174 1,176 1,178 11,181 2,182 5,184 1,186 2,189 5,192 1,193 9,197 2,199 5,203 7,211 1,215 5,218 1,222 3,225 2,226 5,233 2,236 1,237 1,244 3,249 2,252 1,256 8,259 1508,260 21.066,261 21.066,262 21.066,263 21.066,264 21.066,265 18.875,266 28.557,267 12.272,268 21.629,269 17.313,270 17.313,271 17.313,272 17.313,273 17.313,274 13.87,275 38.215,276 5.907,277 18.26,278 4.217,279 2.186,280 1.172,281 0.549,282 0.549,283 0.549,284 4.184,285 1,288 1,289 1,290 925,291 2.739,295 430.197,299 288.029,302 2.062,303 24.135,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66.333,315 414,316 4.581,317 3.653,318 6.715,319 4.134,320 3.169,321 4.509,322 2.03,323 10.948,324 3.057,325 4.302,326 3.331,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.86,335 3.042,336 5.817,337 3.59,338 2.656,339 3.282,340 0.8,341 8.044,342 2.481,343 3.693,344 2.93,345 5.382,346 3.399,347 2.436,348 2.966,349 0.8,350 7.049,351 2.357,352 3.611,353 2.732,354 5.207,355 3.27,356 2.307,357 2.949,358 0.141,359 6.565,360 2.205,361 3.475,362 2.67,363 5.027,364 3.111,365 2.196,366 2.657,368 6.046,369 2.044,370 3.39,371 2.497,372 4.956,373 3.025,374 2.042,375 2.625,377 5.778,378 1.949,379 3.276,380 2.201,381 4.948,382 2.885,383 1.945,384 2.445,386 5.633,387 1.747,388 2.886,389 1.977,390 4.554,391 2.513,392 1.572,393 2.01,395 4.478,396 1.472,397 2.873,398 1.633,399 4.386,400 2.497,401 1.541,402 1.961,404 4.276,405 1.461,406 2.338,407 1.348,408 3.728,409 1.967,410 1,411 1.29,413 2.528,414 0.965,415 2.061,416 1.146,417 3.414,418 1.956,419 0.994,420 1,422 2.275,423 0.939,424 2,425 1.115,426 3.332,427 1.786,428 0.845,429 0.993,431 1.987,432 0.785,433 1.731,434 0.862,435 3.201,436 1.55,437 0.601,438 0.664,440 1.464,441 0.567,442 1.263,443 0.637,444 2.824,445 0.871,446 -0.081,447 -0.099,449 -0.202,450 -0.07,451 14.981,452 0.483,453 0.797,454 0.026,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 27.758,462 0.895,463 33.019,464 0.59,465 28.528,466 0.92,467 7.769,468 0.251,469 7.278,470 0.235,471 0.103,473 0.354,479 0.755,480 1.396,481 0.646,482 1.04,483 0.568,484 0.934,485 1.007,486 1.146,487 0.742,488 0.87,489 0.568,490 0.854,491 1.076,492 0.954,493 1.026,494 0.932,495 0.98,496 0.994,497 0.564,498 1.132,499 0.81,500 1.126,501 0.48,502 1.124,503 0.614,504 0.984,505 0.785,506 0.93,507 0.598,508 0.954,509 0.995,510 1.017,511 1.294,512 1.102,513 0.898,514 1.097,515 1.158,516 1.008,517 1.588,518 1.236,519 1.223,520 1.224,521 0.696,522 1.015,523 0.751,524 0.957,525 0.732,526 0.998,527 7,528 0.161,529 3.333,530 1.688,531 2.187,532 1.021,533 0.602,534 0.434,535 0.23,536 0.164,537 15277,538 40584,539 2.16,540 44.6,542 19,545 1,546 3,547 2,550 1.73,551 2.044,552 3.661,553 -0.361,555 1,559 89.076,560 1.591,561 3.622,562 4.635,563 5.258,564 5.258,565 5.258,566 3.079,567 4.696,568 4.929,569 3.871,570 1800.18,571 8.57,572 26652.1,574 1,577 325.212,578 1.332,579 4.896,580 0.2,581 0.007,582 0.067,583 0.033,584 0.05,585 0.025,586 0.017,587 0.016,588 0.009,589 0.007,590 0.429,591 0.5,592 0.88,593 0.486,594 163.8,595 -0.024,596 -0.217,597 0.044,598 -0.068,599 -0.019,600 -0.003,601 -0.056,602 -0.015,603 0.045,604 0.064,605 0.078,606 0.065,607 -0.048,608 0.127,609 -0.133,610 0.01,611 -0.03,612 -0.062,613 0.097,614 -0.154,615 0.022,616 -0.136,617 0.073,618 -0.115,619 0.031,620 -0.033,621 0.124,622 0.059,623 0.042,624 0.069,625 -0.082,626 -0.067,627 -0.102,628 -0.085,629 -0.071,630 -0.088,631 -0.102,632 -0.055,633 -0.325,634 -0.225,635 -0.207,636 -0.23,637 0.045,638 -0.054,639 0.05,640 -0.007,642 -0.001,643 1.764,644 4.548,645 0.839,646 31.956,647 1.002,648 1.124,649 2.685,650 7.209,651 0.682,652 3.584,653 3.932,654 4.205,655 4.5,656 4.804,657 4.86,658 4.934,659 5.1,660 5.165,661 5.147,662 7.89,663 0.645,664 436.98,665 3.584,666 5.142,667 5.999,668 6.887,669 7.76,670 8.65,671 9.529,672 10.42,673 11.302,674 12.193,675 7.1,678 1,681 1,682 1,685 1,687 2,688 7,689 1,693 6,695 17,709 1,712 1,713 1,714 56,716 18,717 2,718 35,720 60,721 24,722 15,723 7,724 5,730 5,731 7,732 1,736 1,743 1,745 16,746 8,750 1,755 1,759 1,761 1,764 25,765 6,766 1,767 7,768 1,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 1,824 1,827 31,833 7,834 1,835 1,838 2,846 1,847 3.6,850 1,852 1,854 15.167,855 10.41,856 6.611,857 3.47,858 3.487,859 1.416,860 1.019,861 5.741,862 11.864,863 3.818,864 4.431,865 4.996,866 5.599,867 6.2,868 6.468,869 6.741,870 7.108,871 7.331,872 7.21,873 0.889,874 51,875 11.477,877 4.939,878 7.616,879 22.373,881 18.924,883 2.116,884 65.611,887 1,888 282.506,889 122.436,890 41.045,891 39.149,892 36.145,895 122.436,896 357.8,897 41.045,898 8.825,899 35.666,900 66.334,901 46.635,902 42.165,904 282.506,905 39.149,906 282.506,907 163.481,908 36.145,909 39.149,911 258.964,912 59.687,915 52.517,916 94.179,917 55.934,919 282.506,920 77.19,921 161.585,924 282.506,925 47.277,926 81.408,927 18.011,928 92.079,929 282.506,930 77.19,931 161.585,933 0.589,934 0.338,935 0.187,936 0.114,937 26,938 11,939 0.067,940 4,941 2,942 1.154,943 4.352,944 284.128,945 0.154,946 26,947 149.58,951 20.559,952 8.656,953 4.495,954 2.107,955 77.19,956 14.253,957 4.649,961 5.616,963 18.011,964 521.281,965 44.5,970 11.548,974 -0.098,975 56.105,976 62.923,977 0.274,978 0.624,979 0.798,980 0.905,981 0.905,982 0.905,983 5.077,984 1.945,985 5.989,986 5.778,987 4.615,988 5.118,989 2.452,990 6.795,991 4.515,992 6.279,993 1.572,994 7.541,995 5.633,996 4.205,997 4.987,998 1.738,999 7.644,1000 4.044,1001 7.589,1002 1.541,1003 9.185,1004 4.478,1005 6.209,1006 7.32,1007 3.301,1008 10.741,1009 6.023,1010 8.928,1011 1,1012 10.884,1013 4.276,1014 6.567,1015 7.987,1016 3.226,1017 12.418,1018 6.331,1019 10.297,1020 0.994,1021 12.619,1022 2.528,1023 8.057,1024 9.838,1025 4.5,1026 15.043,1027 7.795,1028 11.688,1029 0.845,1030 14.38,1031 2.275,1032 8.794,1033 10.907,1034 4.754,1035 17.102,1036 8.49,1037 13.096,1038 0.601,1039 16.162,1040 1.987,1041 10.066,1042 12.555,1043 5.815,1044 19.561,1045 9.733,1046 3.169,1047 -0.081,1048 17.961,1049 1.464,1050 11,1051 13.836,1052 6.249,1053 21.796,1054 10.628,1055 2.961,1056 10.948,1057 19.774,1058 -0.202,1059 12.179,1060 15.394,1061 7.175,1062 24.197,1063 11.777,1064 2.656,1065 9.342,1066 21.598,1067 4.509,1068 13.212,1069 16.782,1070 7.714,1071 26.511,1072 12.774,1073 2.436,1074 8.044,1075 23.433,1076 3.93,1077 14.356,1078 18.301,1079 8.557,1080 28.895,1081 13.885,1082 2.307,1083 7.049,1084 25.277,1085 3.282,1086 15.438,1087 19.744,1088 9.16,1089 31.245,1090 14.932,1091 2.196,1092 6.565,1093 27.128,1094 2.966,1095 16.57,1096 21.247,1097 9.952,1098 33.626,1099 16.032,1100 2.042,1101 6.046,1102 28.986,1103 2.949,1104 17.678,1105 22.717,1106 10.594,1107 35.994,1108 17.105,1109 13994,1110 22962,1111 23.868,1112 38.165,1113 52.555,1114 54.187,1115 53.758,1116 52.652,1117 52.527,1118 66.562,1119 9.327,1120 152.825,1121 49.748,1122 5.581,1123 5.653,1124 6.129,1125 5.241,1126 5.169,1127 7.509,1128 3.634,1129 18.171,1130 5.057,1131 13.245,1132 1.502,1133 1.548,1134 1.536,1135 1.504,1136 1.501,1137 1.902,1138 0.266,1139 4.366,1140 1.421,1141 4.098,1142 4.129,1143 4.119,1144 4.023,1145 7.429,1146 4.027,1147 3.979,1148 4.005,1149 3.931,1150 3.887,1151 5.042,1152 3.892,1153 3.79,1154 3.858,1155 3.688,1156 3.599,1157 4.846,1158 3.609,1159 3.558,1160 3.602,1161 3.664,1162 3.437,1163 4.694,1164 3.429,1165 3.505,1166 3.544,1167 3.46,1168 3.333,1169 4.389,1170 3.354,1171 3.283,1172 3.346,1173 3.233,1174 3.113,1175 4.276,1176 3.113,1177 3.111,1178 3.206,1179 3.063,1180 2.967,1181 4.062,1182 2.949,1183 3.091,1184 3.158,1185 2.866,1186 2.941,1187 3.885,1188 2.91,1189 0.131,1190 0.104,1191 0.192,1192 0.118,1193 0.091,1194 4.581,1195 0.129,1196 3.653,1197 0.058,1198 6.715,1199 0.313,1200 4.134,1201 0.087,1202 3.169,1203 4.509,1204 2.03,1205 10.948,1206 3.057,1207 2.045,1208 2.022,1209 2.112,1210 2.141,1211 1.358,1212 2.137,1213 1.938,1214 1.913,1215 2.047,1216 2.059,1217 1.241,1218 2.055,1219 1.744,1220 1.676,1221 1.934,1222 1.956,1223 1.151,1224 1.953,1225 1.523,1226 1.482,1227 1.712,1228 1.713,1229 0.904,1230 1.712,1231 1.459,1232 1.419,1233 1.664,1234 1.631,1235 0.825,1236 1.652,1237 1.262,1238 1.202,1239 1.513,1240 1.47,1241 0.8,1242 1.489,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.692,1248 1.429,1249 1.104,1250 1.039,1251 1.387,1252 1.286,1253 0.459,1254 1.331,1255 4.263,1257 5.602,1259 7.138,1261 8.766,1263 10.444,1265 2.002,1266 6.389,1271 5.921,1272 2.885,1273 5.443,1276 4.896,1280 36.137,1281 89.076,1282 202.812,1283 259.586,1284 294.457,1285 294.457,1286 294.457,1287 43.892,1288 8.377,1289 57.7,1290 57.7,1291 30,1292 12.723,1293 4.248,1294 3.392,1295 44.013,1296 152,1297 126,1298 0.142,1299 221.176,1300 382.29,1301 531.429,1302 61013,1303 1.8,1304 21.372,1305 0.689,1306 0.59,1307 21.872,1308 18.283,1309 15.047,1310 0.43,1311 0.315,1312 10.539,1313 14.208,1314 10.254,1315 8.4,1316 15.336,1317 11.026,1318 14.058,1319 0.281,1320 0.173,1321 14.466,1322 8.627,1323 11.697,1324 0.177,1325 0.094,1326 11.933,1327 6.214,1328 10.016,1329 0.113,1330 0.051,1331 10.303,1332 4.538,1333 8.811,1334 0.073,1335 0.028,1336 9.13,1337 3.441,1338 0.23,1339 96.946,1340 0.205,1341 29.595,1342 0.371,1343 170,1344 462.943,1345 199.88,1346 476.586,1347 649.58,1348 448,1349 201,1350 459.954,1351 226.175,1352 474.959,1353 697.92,1354 448,1355 9.801} {0 CHEMBL521873,1 1.464,2 13.194,3 3.704,4 13.72,5 121.971,6 7.061,7 0.486,8 4.176,9 4.3,10 3.714,11 3.717,12 5.184,13 3.69,14 4.753,15 4.938,16 4.093,17 4.126,18 5.716,19 4.083,20 5.03,21 5.243,22 4.17,23 4.317,24 5.989,25 4.237,26 5.112,27 5.352,28 4.03,29 4.358,30 5.91,31 4.218,32 5.161,33 5.437,34 3.942,35 4.326,36 5.902,37 4.163,38 5.082,39 5.357,40 3.874,41 4.228,42 5.853,43 4.073,44 4.964,45 5.22,46 3.764,47 4.127,48 5.776,49 3.972,50 4.906,51 5.186,52 3.639,53 4.012,54 5.66,55 3.847,56 0.033,57 0.876,58 12.938,59 5.425,60 7.605,61 7.418,62 0.236,63 1.468,64 25.053,65 8.866,66 23.681,67 12.621,68 0.526,69 1.859,70 34.301,71 11.622,72 49.356,73 16.674,74 0.272,75 1.931,76 37.177,77 14.486,78 32.638,79 20.728,80 0.283,81 1.95,82 40.25,83 15.14,84 38.028,85 22.241,86 0.328,87 1.797,88 37.449,89 13.651,90 40.301,91 19.979,92 0.359,93 1.623,94 32.938,95 11.917,96 39.815,97 17.296,98 0.312,99 1.494,100 31.605,101 11.126,102 35.152,103 16.515,104 10,105 50,106 0.237,107 0.571,108 0.783,109 0.893,110 0.893,111 0.893,112 3.472,113 0.941,114 -3.65,115 -3.62,116 -3.44,119 42.4,120 2,121 1,125 5,127 1,140 8,141 2,142 3,144 2,156 1,169 8,172 9,174 1,176 1,178 9,181 2,182 8,184 1,186 2,189 6,192 1,193 7,197 2,199 6,203 7,211 5,215 6,218 1,222 5,225 2,226 5,233 5,236 1,237 1,242 1,244 4,249 3,252 1,256 9,259 1555,260 21.118,261 21.118,262 21.118,263 21.118,264 21.118,265 18.952,266 28.537,267 12.276,268 21.538,269 17.291,270 17.291,271 17.291,272 17.291,273 17.291,274 13.929,275 39.843,276 5.859,277 17.98,278 4.419,279 2.351,280 1.043,281 0.365,282 0.365,283 0.365,284 4.184,288 1,289 1,290 915,291 2.739,295 430.459,299 287.041,302 2.123,303 21.743,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 409,316 4.553,317 3.653,318 6.701,319 4.119,320 3.153,321 4.474,322 2.03,323 10.882,324 3.052,325 4.302,326 3.318,327 6.212,328 3.924,329 2.962,330 3.93,331 0.892,332 9.343,333 2.847,334 3.929,335 3.063,336 6.076,337 3.765,338 2.823,339 3.257,340 0.8,341 8.777,342 2.652,343 3.724,344 3.007,345 5.731,346 3.415,347 2.465,348 2.97,349 0.8,350 7.704,351 2.358,352 3.643,353 2.687,354 5.265,355 3.328,356 2.341,357 2.826,358 0.141,359 6.72,360 2.286,361 3.42,362 2.538,363 4.971,364 3.061,365 2.067,366 2.655,368 5.786,369 2.045,370 3.357,371 2.251,372 4.952,373 2.996,374 2.025,375 2.61,377 5.746,378 1.956,379 3.03,380 1.982,381 4.581,382 2.575,383 1.601,384 2.254,386 4.548,387 1.559,388 2.885,389 1.669,390 4.389,391 2.51,392 1.57,393 2.01,395 4.281,396 1.469,397 2.774,398 1.598,399 4.206,400 2.447,401 1.478,402 1.843,404 3.81,405 1.428,406 2.489,407 1.469,408 4.014,409 2.382,410 1.404,411 1.489,413 3.416,414 1.369,415 2.251,416 1.346,417 3.383,418 1.885,419 0.917,420 1.168,422 2.12,423 0.884,424 2.058,425 0.964,426 3.333,427 1.762,428 0.809,429 0.989,431 1.927,432 0.765,433 1.764,434 0.825,435 3.225,436 1.579,437 0.63,438 0.702,440 1.53,441 0.594,442 1.238,443 0.652,444 2.749,445 0.96,446 -0.007,447 -0.008,449 -0.017,450 -0.007,451 14.767,452 0.476,453 0.78,454 0.025,455 39.75,456 1.282,457 19,458 0.613,459 20.75,460 0.669,461 28.175,462 0.909,463 33.233,464 0.563,465 28.462,466 0.918,467 7.676,468 0.248,469 7.388,470 0.238,471 0.09,473 0.359,479 0.805,480 1.401,481 0.815,482 1.133,483 0.611,484 0.996,485 1.066,486 1.177,487 0.895,488 0.955,489 0.598,490 0.902,491 1.128,492 0.97,493 1.099,494 0.939,495 0.964,496 0.989,497 0.697,498 1.111,499 1.058,500 1.159,501 0.517,502 1.156,503 0.567,504 0.987,505 0.926,506 1.02,507 0.571,508 1.015,509 0.722,510 0.959,511 0.953,512 0.99,513 0.686,514 0.997,515 0.854,516 1.078,517 1.122,518 1.118,519 0.955,520 1.15,521 0.73,522 1.02,523 0.999,524 1.033,525 0.767,526 1.043,527 6.5,528 0.14,529 3.778,530 1.813,531 2.027,532 0.993,533 0.686,534 0.465,535 0.295,536 0.202,537 15029,538 35264,539 2.16,540 47.5,542 19,545 1,546 3,547 5,550 1.731,551 2.044,552 3.662,553 -0.393,555 1,559 86.374,560 1.464,561 3.532,562 4.84,563 5.518,564 5.518,565 5.518,566 3.1,567 4.954,568 4.928,569 3.857,570 1793.33,571 8.575,572 26204.9,574 1,577 347.076,578 1.332,579 4.896,580 0.186,581 0.006,582 0.076,583 0.035,584 0.046,585 0.025,586 0.019,587 0.015,588 0.011,589 0.007,590 0.424,591 0.5,592 0.88,593 0.486,594 163.234,595 -0.002,596 -0.21,597 0.078,598 -0.069,599 -0.023,601 -0.018,602 -0.046,603 0.064,604 0.032,605 0.078,606 0.056,607 -0.012,608 0.126,609 -0.12,610 0.023,611 0.008,612 -0.043,613 -0.019,614 -0.117,615 -0.117,616 -0.144,617 0.016,618 -0.145,619 0.022,620 -0.044,621 0.03,622 -0.022,623 0.026,624 0.003,625 0.007,626 -0.01,627 0.019,628 -0.006,629 -0.01,630 0.005,631 -0.014,632 -0.1,633 -0.151,634 -0.137,635 -0.113,636 -0.161,637 0.033,638 -0.071,639 -0.02,640 -0.063,641 -0.034,642 -0.05,643 1.756,644 4.578,645 0.839,646 32.102,647 0.994,648 1.125,649 2.417,650 5.842,651 0.662,652 3.584,653 3.932,654 4.22,655 4.5,656 4.787,657 4.844,658 4.942,659 5.088,660 5.209,661 5.193,662 7.738,663 0.624,664 416.57,665 3.584,666 5.142,667 6.004,668 6.891,669 7.767,670 8.655,671 9.536,672 10.425,673 11.308,674 12.198,675 6.8,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 6,724 6,730 5,731 7,736 2,740 1,743 2,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,823 2,827 31,833 6,834 1,835 1,837 1,838 2,847 3.4,850 1,852 1,854 15.167,855 11.183,856 6.639,857 3.707,858 3.452,859 1.414,860 1.008,861 5.554,862 11.797,863 3.818,864 4.419,865 4.985,866 5.568,867 6.15,868 6.392,869 6.695,870 7.036,871 7.321,872 7.192,873 0.889,874 52,875 11.491,877 4.924,878 7.554,879 22.569,881 19.134,883 2.054,884 63.667,887 1,888 317.82,889 135.131,890 41.045,892 36.145,895 135.131,896 353.965,897 41.045,898 17.65,899 33.56,900 75.81,901 46.635,902 38.665,904 317.82,906 317.82,907 176.176,908 36.145,911 258.964,912 95,915 59.236,916 100.154,917 16.786,919 317.82,920 77.19,921 135.131,924 317.82,925 41.671,926 99.709,927 18.011,928 52.93,929 317.82,930 77.19,931 135.131,933 0.589,934 0.345,935 0.188,936 0.11,937 26,938 11,939 0.063,940 4,941 2,942 1.154,943 4.331,944 285.725,945 0.154,946 26,947 151.58,951 20.289,952 8.486,953 4.254,954 2.295,955 77.19,956 16.811,957 4.691,961 5.087,963 18.011,964 530.141,965 44.5,970 11.578,974 -0.09,975 58.665,976 66.394,977 0.249,978 0.6,979 0.823,980 0.938,981 0.938,982 0.938,983 5.077,984 1.601,985 5.994,986 5.746,987 4.615,988 5.106,989 2.452,990 6.808,991 4.539,992 6.274,993 1.57,994 7.553,995 4.548,996 4.205,997 4.934,998 1.738,999 7.687,1000 4.095,1001 7.58,1002 1.478,1003 9.208,1004 4.281,1005 6.217,1006 7.29,1007 3.301,1008 10.783,1009 6.061,1010 8.916,1011 1.404,1012 10.919,1013 3.81,1014 6.594,1015 7.935,1016 3.226,1017 12.484,1018 6.399,1019 10.284,1020 0.917,1021 12.666,1022 3.416,1023 8.083,1024 9.797,1025 4.5,1026 15.099,1027 7.848,1028 11.673,1029 0.809,1030 14.438,1031 2.12,1032 8.84,1033 10.852,1034 4.754,1035 17.159,1036 8.563,1037 13.08,1038 0.63,1039 16.23,1040 1.927,1041 10.108,1042 12.505,1043 5.815,1044 19.605,1045 9.795,1046 3.153,1047 -0.007,1048 18.036,1049 1.53,1050 11.052,1051 13.773,1052 6.249,1053 21.828,1054 10.699,1055 2.962,1056 10.882,1057 19.855,1058 -0.017,1059 12.227,1060 15.33,1061 7.175,1062 24.215,1063 11.84,1064 2.823,1065 9.343,1066 21.683,1067 4.474,1068 13.262,1069 16.707,1070 7.714,1071 26.514,1072 12.836,1073 2.465,1074 8.777,1075 23.519,1076 3.93,1077 14.399,1078 18.222,1079 8.557,1080 28.883,1081 13.941,1082 2.341,1083 7.704,1084 25.363,1085 3.257,1086 15.478,1087 19.654,1088 9.16,1089 31.219,1090 14.984,1091 2.067,1092 6.72,1093 27.212,1094 2.97,1095 16.603,1096 21.151,1097 9.952,1098 33.587,1099 16.077,1100 2.025,1101 5.786,1102 29.066,1103 2.826,1104 17.704,1105 22.611,1106 10.594,1107 35.943,1108 17.145,1109 13763,1110 21250,1111 23.868,1112 39.069,1113 52.758,1114 54.023,1115 54.078,1116 52.455,1117 52.488,1118 66.353,1119 9.327,1120 153.176,1121 50.528,1122 5.553,1123 5.653,1124 6.221,1125 5.227,1126 5.153,1127 7.474,1128 3.634,1129 18.09,1130 5.052,1131 13.029,1132 1.507,1133 1.544,1134 1.545,1135 1.499,1136 1.5,1137 1.896,1138 0.266,1139 4.376,1140 1.444,1141 4.098,1142 4.132,1143 4.055,1144 4.017,1145 7.429,1146 4.022,1147 3.98,1148 4.006,1149 3.929,1150 3.887,1151 4.984,1152 3.892,1153 3.817,1154 3.88,1155 3.716,1156 3.64,1157 4.845,1158 3.649,1159 3.557,1160 3.602,1161 3.469,1162 3.422,1163 4.454,1164 3.417,1165 3.507,1166 3.553,1167 3.406,1168 3.338,1169 4.338,1170 3.358,1171 3.283,1172 3.362,1173 3.147,1174 3.116,1175 4.255,1176 3.111,1177 3.27,1178 3.346,1179 3.057,1180 3.099,1181 3.967,1182 3.08,1183 3.085,1184 3.16,1185 2.93,1186 2.948,1187 3.883,1188 2.932,1189 0.13,1190 0.104,1191 0.191,1192 0.118,1193 0.09,1194 4.553,1195 0.128,1196 3.653,1197 0.058,1198 6.701,1199 0.311,1200 4.119,1201 0.087,1202 3.153,1203 4.474,1204 2.03,1205 10.882,1206 3.052,1207 2.048,1208 2.022,1209 2.13,1210 2.149,1211 1.378,1212 2.146,1213 1.938,1214 1.914,1215 2.051,1216 2.061,1217 1.24,1218 2.057,1219 1.776,1220 1.713,1221 1.96,1222 1.973,1223 1.166,1224 1.972,1225 1.53,1226 1.483,1227 1.738,1228 1.715,1229 0.912,1230 1.716,1231 1.469,1232 1.427,1233 1.69,1234 1.655,1235 0.895,1236 1.676,1237 1.305,1238 1.223,1239 1.633,1240 1.522,1241 0.806,1242 1.568,1243 1.262,1244 1.198,1245 1.514,1246 1.473,1247 0.692,1248 1.491,1249 1.111,1250 1.038,1251 1.425,1252 1.303,1253 0.509,1254 1.35,1255 4.263,1257 5.602,1259 7.143,1261 8.776,1263 10.456,1265 4.344,1271 5.082,1272 2.9,1273 5.461,1275 0.461,1276 5.046,1280 36.837,1281 86.374,1282 208.365,1283 285.566,1284 325.566,1285 325.566,1286 325.566,1287 42.944,1288 8.345,1289 57.7,1290 57.7,1291 30,1292 12.728,1293 4.248,1294 3.392,1295 43.954,1296 147,1297 126,1298 0.145,1299 222.435,1300 384.38,1301 534.502,1302 58165,1304 21.372,1305 0.689,1306 0.584,1307 21.372,1308 18.097,1309 15.064,1310 0.43,1311 0.314,1312 10.839,1313 14.537,1314 10.529,1315 8.684,1316 15.064,1317 10.976,1318 13.942,1319 0.279,1320 0.171,1321 13.942,1322 8.545,1323 11.888,1324 0.177,1325 0.094,1326 11.888,1327 6.318,1328 10.089,1329 0.113,1330 0.052,1331 10.089,1332 4.621,1333 8.692,1334 0.073,1335 0.028,1336 8.692,1337 3.363,1338 0.234,1339 93.834,1340 0.205,1341 29.513,1342 0.383,1343 170,1344 434.739,1345 184.694,1346 420.957,1347 588.71,1348 398,1349 202,1350 443.443,1351 217.749,1352 448.982,1353 659.97,1354 424,1355 9.3} {0 CHEMBL522257,1 1.464,2 13.387,3 3.532,4 12.478,5 122.45,6 7.061,7 0.486,8 4.176,9 4.299,10 3.718,11 3.711,12 5.181,13 3.685,14 4.756,15 4.948,16 4.09,17 4.119,18 5.702,19 4.079,20 5.01,21 5.215,22 4.183,23 4.318,24 5.984,25 4.242,26 5.099,27 5.327,28 4.038,29 4.352,30 5.953,31 4.217,32 5.149,33 5.426,34 3.92,35 4.294,36 5.9,37 4.135,38 5.012,39 5.276,40 3.791,41 4.161,42 5.793,43 4.003,44 4.919,45 5.196,46 3.646,47 4.014,48 5.681,49 3.85,50 4.773,51 5.053,52 3.576,53 3.886,54 5.51,55 3.741,56 0.025,57 0.878,58 12.923,59 5.408,60 6.987,61 7.414,62 0.271,63 1.473,64 25.366,65 8.613,66 20.891,67 12.357,68 0.489,69 1.823,70 33.327,71 11.635,72 45.097,73 16.539,74 0.27,75 1.896,76 36.543,77 14.417,78 38.606,79 20.297,80 0.334,81 1.904,82 40.167,83 14.726,84 39.532,85 21.52,86 0.299,87 1.691,88 34.601,89 12.608,90 35.43,91 18.388,92 0.378,93 1.511,94 32.213,95 11.143,96 38.089,97 16.418,98 0.307,99 1.311,100 27.783,101 9.46,102 27.59,103 14.088,104 10,105 50,106 0.237,107 0.546,108 0.747,109 0.855,110 0.855,111 0.855,112 3.471,113 0.938,114 -3.65,115 -3.62,116 -3.44,119 42.4,120 1,121 1,124 1,125 6,140 8,141 2,142 3,144 2,156 1,169 8,171 1,172 9,178 9,181 3,182 9,189 6,192 1,193 9,199 5,203 7,211 2,214 1,215 6,222 1,225 2,226 4,233 2,236 1,237 1,244 4,248 1,249 2,256 8,259 1532,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 19.054,266 27.583,267 12.265,268 21.648,269 17.254,270 17.254,271 17.254,272 17.254,273 17.254,274 13.919,275 36.659,276 5.821,277 18.009,278 4.419,279 2.509,280 1.267,281 0.602,282 0.602,283 0.602,284 4.184,288 1,289 1,290 927,291 2.739,295 430.982,299 287.877,302 2.092,303 21.132,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66,315 415,316 4.551,317 3.793,318 6.695,319 4.108,320 3.139,321 4.474,322 2.055,323 10.856,324 3.046,325 4.401,326 3.28,327 6.614,328 4.069,329 3.116,330 3.986,331 0.933,332 10.451,333 2.965,334 3.858,335 3.05,336 5.808,337 3.595,338 2.656,339 3.249,340 0.8,341 8.003,342 2.5,343 3.787,344 2.885,345 5.592,346 3.467,347 2.487,348 3.076,349 0.8,350 7.273,351 2.428,352 3.545,353 2.675,354 5.366,355 3.293,356 2.344,357 2.741,358 0.51,359 6.894,360 2.218,361 3.437,362 2.501,363 5.185,364 3.087,365 2.115,366 2.702,368 6.384,369 2.052,370 3.31,371 2.299,372 4.959,373 2.978,374 2.019,375 2.468,377 5.727,378 1.931,379 3.028,380 2.245,381 4.625,382 2.641,383 1.699,384 2.243,386 4.65,387 1.585,388 2.969,389 1.652,390 4.558,391 2.574,392 1.597,393 2.081,395 4.489,396 1.559,397 2.774,398 1.479,399 4.036,400 2.398,401 1.418,402 1.842,404 3.466,405 1.386,406 2.265,407 1.425,408 3.548,409 1.967,410 1,411 1.191,413 2.275,414 0.965,415 2.205,416 1.146,417 3.414,418 1.91,419 0.951,420 1.138,422 2.253,423 0.906,424 2,425 1.027,426 3.378,427 1.831,428 0.858,429 1,431 2.049,432 0.832,433 1.828,434 0.94,435 3.257,436 1.643,437 0.669,438 0.75,440 1.641,441 0.65,442 1.607,443 0.804,444 2.818,445 1.226,446 0.257,447 0.312,449 0.578,450 0.243,451 14.767,452 0.476,453 0.763,454 0.025,455 40,456 1.29,457 19,458 0.613,459 21,460 0.677,461 27.254,462 0.879,463 33.233,464 0.563,465 29.066,466 0.938,467 7.861,468 0.254,469 7.219,470 0.233,471 0.09,473 0.352,479 0.784,480 1.479,481 0.805,482 1.175,483 0.585,484 1.019,485 1.159,486 1.078,487 0.903,488 0.865,489 0.636,490 0.838,491 1.073,492 0.975,493 1.067,494 0.96,495 0.926,496 0.991,497 0.825,498 1.168,499 1.105,500 1.223,501 0.91,502 1.21,503 0.748,504 0.954,505 0.947,506 0.977,507 0.634,508 0.984,509 0.783,510 1.069,511 1.062,512 1.11,513 0.756,514 1.118,515 0.873,516 0.998,517 1.044,518 1.011,519 0.964,520 1.043,521 0.823,522 0.925,523 0.949,524 0.914,525 0.756,526 0.935,527 6,528 0.14,529 4,530 1.813,531 2.067,532 0.889,533 0.541,534 0.438,535 0.254,536 0.174,537 15337,538 35600,539 2.16,540 47.5,542 23,546 3,547 2,550 1.729,551 2.044,552 3.674,553 -0.799,555 1,559 86.374,560 1.464,561 3.373,562 4.616,563 5.281,564 5.281,565 5.281,566 3.1,567 4.518,568 4.93,569 3.876,570 1802.56,571 8.567,572 26747.6,574 1,577 347.076,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.034,584 0.047,585 0.023,586 0.016,587 0.016,588 0.009,589 0.007,590 0.409,591 0.5,592 0.88,593 0.486,594 163.951,595 0.019,596 -0.29,597 0.088,598 -0.111,599 -0.008,600 -0.023,601 -0.058,602 0.064,603 0.066,604 0.106,605 0.037,606 0.106,607 0.02,608 0.12,609 -0.095,610 0.015,611 0.055,612 -0.037,613 -0.038,614 -0.179,615 -0.161,616 -0.201,617 -0.046,618 -0.201,619 -0.019,620 -0.018,621 0.025,622 0.013,623 0.006,624 0.023,625 -0.022,626 -0.103,627 -0.094,628 -0.127,629 -0.052,630 -0.122,631 0.011,632 -0.048,633 -0.052,634 -0.05,635 -0.088,636 -0.061,637 0.022,638 0.036,639 0.042,640 0.042,641 0.001,642 0.047,643 1.667,644 4.904,645 0.839,646 31.594,647 0.994,648 1.125,649 2.417,650 5.842,651 0.662,652 3.584,653 3.932,654 4.234,655 4.5,656 4.787,657 4.828,658 4.927,659 5.056,660 5.159,661 5.147,662 7.928,663 0.624,664 416.57,665 3.584,666 5.142,667 6.009,668 6.895,669 7.775,670 8.663,671 9.548,672 10.437,673 11.323,674 12.212,675 6.8,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 59,716 18,717 2,718 35,720 63,721 25,722 15,723 6,724 6,730 5,731 7,736 1,743 1,745 16,746 9,750 1,755 1,759 1,761 1,764 28,765 6,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,806 1,815 1,819 3,823 2,827 31,833 7,835 1,838 3,847 3.4,850 1,852 1,854 15.167,855 11.3,856 6.667,857 3.665,858 3.481,859 1.415,860 1.011,861 5.554,862 11.876,863 3.818,864 4.419,865 5.006,866 5.579,867 6.162,868 6.399,869 6.705,870 7.025,871 7.289,872 7.147,873 0.889,874 53,875 11.496,877 4.911,878 7.543,879 22.594,881 19.062,883 2.043,884 63.333,887 1,888 329.591,889 136.808,890 26.158,892 36.145,895 136.808,896 365.736,897 26.158,898 17.222,899 20.78,900 75.81,901 46.635,902 38.665,904 329.591,906 329.591,907 162.966,908 36.145,911 306.049,912 59.687,915 37.63,916 108.551,917 16.786,919 329.591,920 62.303,921 136.808,924 329.591,925 43.776,926 102.405,928 52.93,929 329.591,930 62.303,931 136.808,933 0.59,934 0.351,935 0.188,936 0.109,937 26,938 11,939 0.063,940 4,941 2,942 1.154,943 4.343,944 284.36,945 0.154,946 26,947 147.58,951 20.289,952 8.486,953 4.125,954 2.302,955 62.303,956 16.897,957 4.679,961 5.241,964 528.702,965 44.5,970 11.904,975 58.665,976 66.394,977 0.249,978 0.573,979 0.785,980 0.898,981 0.898,982 0.898,983 5.077,984 1.699,985 5.999,986 5.727,987 4.615,988 5.106,989 2.506,990 6.821,991 4.533,992 6.274,993 1.597,994 7.566,995 4.65,996 4.205,997 4.934,998 1.803,999 7.732,1000 4.078,1001 7.582,1002 1.418,1003 9.23,1004 4.489,1005 6.225,1006 7.298,1007 3.344,1008 10.839,1009 6.059,1010 8.923,1011 1,1012 10.953,1013 3.466,1014 6.621,1015 7.957,1016 3.307,1017 12.582,1018 6.41,1019 10.297,1020 0.951,1021 12.713,1022 2.275,1023 8.109,1024 9.817,1025 4.562,1026 15.214,1027 7.862,1028 11.693,1029 0.858,1030 14.5,1031 2.253,1032 8.887,1033 10.883,1034 4.855,1035 17.312,1036 8.597,1037 13.109,1038 0.669,1039 16.307,1040 2.049,1041 10.158,1042 12.532,1043 5.901,1044 19.78,1045 9.833,1046 3.139,1047 0.257,1048 18.129,1049 1.641,1050 11.124,1051 13.806,1052 6.37,1053 22.032,1054 10.756,1055 3.116,1056 10.856,1057 19.964,1058 0.578,1059 12.306,1060 15.361,1061 7.287,1062 24.439,1063 11.904,1064 2.656,1065 10.451,1066 21.809,1067 4.474,1068 13.361,1069 16.741,1070 7.856,1071 26.757,1072 12.918,1073 2.487,1074 8.003,1075 23.662,1076 3.986,1077 14.51,1078 18.253,1079 8.696,1080 29.141,1081 14.032,1082 2.344,1083 7.273,1084 25.523,1085 3.249,1086 15.607,1087 19.686,1088 9.324,1089 31.489,1090 15.089,1091 2.115,1092 6.894,1093 27.389,1094 3.076,1095 16.744,1096 21.182,1097 10.117,1098 33.864,1099 16.191,1100 2.019,1101 6.384,1102 29.26,1103 2.741,1104 17.861,1105 22.641,1106 10.781,1107 36.225,1108 17.271,1109 14050,1110 21553,1111 23.868,1112 39.069,1113 52.987,1114 54.036,1115 54.07,1116 52.692,1117 52.654,1118 66.505,1119 10.197,1120 153.979,1121 50.53,1122 5.551,1123 5.793,1124 6.215,1125 5.216,1126 5.139,1127 7.474,1128 3.661,1129 18.031,1130 5.046,1131 13.25,1132 1.514,1133 1.544,1134 1.545,1135 1.505,1136 1.504,1137 1.9,1138 0.291,1139 4.399,1140 1.444,1141 4.096,1142 4.13,1143 4.054,1144 4.016,1145 7.427,1146 4.021,1147 3.988,1148 4.015,1149 3.941,1150 3.893,1151 4.984,1152 3.899,1153 3.792,1154 3.861,1155 3.686,1156 3.6,1157 4.835,1158 3.611,1159 3.578,1160 3.625,1161 3.491,1162 3.422,1163 4.444,1164 3.423,1165 3.505,1166 3.555,1167 3.401,1168 3.363,1169 4.327,1170 3.376,1171 3.289,1172 3.359,1173 3.152,1174 3.122,1175 4.237,1176 3.118,1177 3.15,1178 3.232,1179 2.968,1180 2.949,1181 4.017,1182 2.936,1183 3.111,1184 3.206,1185 2.923,1186 2.941,1187 3.953,1188 2.91,1189 0.13,1190 0.108,1191 0.191,1192 0.117,1193 0.09,1194 4.551,1195 0.128,1196 3.793,1197 0.059,1198 6.695,1199 0.31,1200 4.108,1201 0.087,1202 3.139,1203 4.474,1204 2.055,1205 10.856,1206 3.046,1207 2.048,1208 2.022,1209 2.128,1210 2.147,1211 1.358,1212 2.144,1213 1.944,1214 1.92,1215 2.052,1216 2.068,1217 1.244,1218 2.062,1219 1.746,1220 1.678,1221 1.938,1222 1.96,1223 1.157,1224 1.958,1225 1.536,1226 1.488,1227 1.744,1228 1.736,1229 0.938,1230 1.739,1231 1.49,1232 1.443,1233 1.71,1234 1.652,1235 0.825,1236 1.676,1237 1.279,1238 1.212,1239 1.56,1240 1.489,1241 0.807,1242 1.515,1243 1.153,1244 1.064,1245 1.513,1246 1.414,1247 0.714,1248 1.436,1249 1.124,1250 1.042,1251 1.468,1252 1.376,1253 0.598,1254 1.429,1255 4.263,1257 5.602,1259 7.148,1261 8.786,1263 10.472,1265 3.854,1271 6.225,1273 5.535,1276 6.698,1280 36.837,1281 86.374,1282 199.028,1283 272.347,1284 311.566,1285 311.566,1286 311.566,1287 42.646,1288 8.395,1289 48.91,1290 48.91,1291 30,1292 12.742,1293 4.248,1294 3.392,1295 44.044,1296 152,1297 127,1298 0.141,1299 222.435,1300 384.38,1301 534.502,1302 62666,1304 21.372,1305 0.689,1306 0.586,1307 21.372,1308 18.174,1309 15.081,1310 0.431,1311 0.313,1312 10.79,1313 14.515,1314 10.48,1315 8.634,1316 15.081,1317 10.943,1318 13.812,1319 0.276,1320 0.168,1321 13.812,1322 8.419,1323 12.168,1324 0.179,1325 0.094,1326 12.168,1327 6.388,1328 9.995,1329 0.112,1330 0.05,1331 9.995,1332 4.489,1333 8.69,1334 0.073,1335 0.028,1336 8.69,1337 3.342,1338 0.229,1339 94.186,1340 0.205,1341 29.602,1342 0.367,1343 170,1344 440.052,1345 184.722,1346 424.663,1347 594.29,1348 402,1349 203,1350 447.006,1351 219.581,1352 452.936,1353 667.23,1354 427,1355 9.5} {0 CHEMBL522708,1 1.523,2 15.147,3 4.697,4 22.058,5 136.406,6 7.16,7 0.447,8 4.291,9 4.402,10 3.961,11 3.872,12 5.215,13 3.811,14 4.9,15 5.075,16 4.267,17 4.291,18 5.951,19 4.209,20 5.196,21 5.417,22 4.264,23 4.445,24 6.105,25 4.326,26 5.227,27 5.466,28 4.153,29 4.42,30 6.129,31 4.271,32 5.201,33 5.455,34 4.065,35 4.365,36 6.033,37 4.207,38 5.118,39 5.372,40 3.959,41 4.282,42 5.919,43 4.118,44 5.072,45 5.335,46 3.887,47 4.208,48 5.845,49 4.04,50 4.995,51 5.246,52 3.923,53 4.209,54 5.76,55 4.04,56 0.09,57 0.984,58 18.183,59 6.984,60 13.377,61 9.015,62 0.408,63 1.673,64 32.51,65 11.921,66 54.267,67 15.723,68 0.473,69 2.091,70 45.695,71 15.911,72 49.405,73 21.102,74 0.439,75 2.04,76 46.017,77 17.222,78 67.98,79 22.987,80 0.407,81 1.968,82 44.566,83 16.489,84 55.702,85 22.35,86 0.314,87 1.85,88 41.821,89 15.364,90 46.062,91 20.926,92 0.439,93 1.765,94 39.805,95 13.885,96 52.038,97 19.094,98 0.311,99 1.682,100 38.645,101 14.069,102 33.52,103 18.696,104 10,105 54,106 0.24,107 0.528,108 0.751,109 0.86,110 0.864,111 0.864,112 3.56,113 1.097,114 -4.12,115 -4.06,116 -3.84,119 40.3,120 1,121 4,122 1,125 6,140 9,141 2,142 2,144 2,169 12,171 3,172 11,178 15,181 1,182 9,189 11,192 1,193 10,199 13,203 10,211 7,215 12,222 5,225 1,226 6,233 5,236 1,237 6,244 8,249 5,256 8,259 2010,260 23.057,261 23.057,262 23.057,263 23.057,264 23.057,265 20.73,266 27.953,267 13.527,268 23.571,269 18.791,270 18.791,271 18.791,272 18.791,273 18.791,274 15.193,275 34.746,276 6.429,277 19.615,278 4.543,279 2.714,280 1.295,281 0.608,282 0.578,283 0.578,284 4.269,289 1,290 1141,291 3.391,294 100.176,295 437.114,299 173.334,302 2.433,303 31.205,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 72.5,315 515,316 4.838,317 4.529,318 7.404,319 4.381,320 3.447,321 4.589,322 0.86,323 12.881,324 3.201,325 4.516,326 3.185,327 6.517,328 4.026,329 3.054,330 4.458,331 0.8,332 10.248,333 2.968,334 4.069,335 2.978,336 5.815,337 3.735,338 2.751,339 3.662,340 0.4,341 8.182,342 2.71,343 3.719,344 2.861,345 5.55,346 3.514,347 2.559,348 3.17,350 7.453,351 2.446,352 3.658,353 2.622,354 5.329,355 3.292,356 2.344,357 2.756,359 6.782,360 2.22,361 3.417,362 2.57,363 5.284,364 3.185,365 2.235,366 2.63,368 6.686,369 2.112,370 3.295,371 2.17,372 4.925,373 2.894,374 1.928,375 2.546,377 5.673,378 1.855,379 3.082,380 2.069,381 4.813,382 2.835,383 1.873,384 2.22,386 5.291,387 1.794,388 2.989,389 1.603,390 4.203,391 2.512,392 1.524,393 2.116,395 3.817,396 1.504,397 2.702,398 1.53,399 4.195,400 2.364,401 1.382,402 1.774,404 3.38,405 1.355,406 2.49,407 1.457,408 3.681,409 2.205,410 1.236,411 1.487,413 2.719,414 1.2,415 2.483,416 1.298,417 3.527,418 2.149,419 1.193,420 1.458,422 2.629,423 1.126,424 2.137,425 1.103,426 3.482,427 1.984,428 1,429 1.08,431 2.275,432 0.983,433 2,434 1.077,435 3.414,436 1.836,437 0.865,438 1,440 2.093,441 0.836,442 1.918,443 0.963,444 3.312,445 1.74,446 0.787,447 0.872,449 1.998,450 0.742,451 16.533,452 0.486,453 0.868,454 0.026,455 41.75,456 1.228,457 20,458 0.588,459 21.75,460 0.64,461 33.103,462 0.974,463 37.467,464 0.559,465 30.03,466 0.883,467 7.476,468 0.22,469 9,470 0.265,471 0.071,472 0.05,473 0.26,479 0.583,480 1.415,481 0.855,482 1.268,483 0.628,484 1.047,485 0.874,486 1.158,487 0.994,488 1.037,489 0.553,490 0.991,491 1.187,492 0.99,493 1.113,494 1.018,495 0.998,496 1.009,497 1.032,498 1.01,499 0.966,500 1.014,501 1.057,502 1.048,503 1.027,504 0.947,505 0.902,506 0.928,507 0.841,508 0.993,509 0.849,510 1.101,511 0.987,512 1.072,513 0.687,514 1.073,515 1.072,516 0.932,517 0.971,518 0.897,519 0.963,520 0.995,521 0.797,522 1.005,523 1.096,524 1.085,525 0.728,526 1.043,527 7.5,528 0.207,529 4,530 2.347,531 1.561,532 0.813,533 0.704,534 0.411,535 0.259,536 0.204,537 20853,538 49303,539 2.138,540 49.3,541 3,542 21,546 3,547 4,548 2,550 1.751,551 2.03,552 3.814,553 -0.788,559 102.071,560 1.523,561 3.352,562 4.771,563 5.458,564 5.488,565 5.488,566 3.232,567 4.396,568 5.064,569 4.08,570 2288.69,571 8.826,572 37978.6,577 406.428,578 1.396,579 5.027,580 0.197,581 0.009,582 0.074,583 0.044,584 0.034,585 0.019,586 0.019,587 0.012,588 0.007,589 0.007,590 0.422,591 0.33,592 0.75,593 0.459,594 187.585,595 0.129,596 -0.204,597 0.214,598 -0.091,599 -0.092,600 0.009,601 0.15,602 -0.023,603 0.015,604 -0.006,605 0.244,606 -0.006,607 -0.104,608 0.058,609 -0.107,610 -0.027,611 -0.048,612 -0.037,613 -0.033,614 -0.058,615 -0.043,616 -0.049,617 -0.021,618 -0.058,619 -0.072,620 -0.01,621 -0.008,622 0.009,623 -0.039,624 -0.009,625 -0.028,626 -0.144,627 -0.056,628 -0.106,629 -0.003,630 -0.078,631 -0.107,632 0.036,633 -0.054,634 0.023,635 -0.108,636 -0.03,637 -0.019,638 -0.008,639 -0.058,640 -0.05,641 -0.017,642 -0.036,643 4.046,644 5.262,645 0.794,646 40.176,647 0.994,648 1.123,649 2.887,650 8.332,651 0.663,652 3.664,653 4.007,654 4.263,655 4.522,656 4.7,657 4.718,658 4.812,659 4.927,660 4.97,661 5.024,662 9.101,663 0.616,664 479.7,665 3.664,666 5.22,667 6.071,668 6.956,669 7.818,670 8.705,671 9.572,672 10.459,673 11.328,674 12.215,675 4.5,678 1,681 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 67,716 19,717 2,718 38,720 71,721 27,722 15,723 5,724 7,730 5,731 6,736 1,740 3,741 1,743 4,745 15,746 12,747 1,750 2,753 1,755 2,764 33,765 6,767 7,768 1,773 3,777 0.8,778 3,786 1,792 1,793 4,797 1,815 1,819 4,821 1,823 1,827 34,830 1,833 10,835 1,837 1,838 2,847 4.5,850 2,852 1,854 16.75,855 12.1,856 7.292,857 4.319,858 3.53,859 1.421,860 1.002,861 6.986,862 11.924,863 3.902,864 4.511,865 5.006,866 5.566,867 6.082,868 6.289,869 6.581,870 6.904,871 7.079,872 6.89,873 0.9,874 53,875 12.83,877 5.692,878 7.61,879 25.076,881 21.7,883 2.11,884 71.75,888 388.446,889 142.631,890 21.428,892 55.313,894 5.807,895 136.824,896 443.759,897 21.428,898 8.825,899 24.053,900 91.094,901 61.098,902 34.302,904 388.446,906 388.446,907 158.252,908 55.313,909 5.807,911 317.82,912 125.939,915 40.903,916 100.564,917 22.593,919 388.446,920 76.741,921 142.631,923 5.807,924 388.446,925 42.713,926 98.754,928 72.098,929 388.446,930 76.741,931 142.631,933 0.587,934 0.339,935 0.183,936 0.096,937 27,938 11,939 0.099,940 7,941 1,942 1.074,943 4.673,944 311.223,945 0.074,946 27,947 164.974,950 1,951 23.444,952 10.132,953 5.524,954 2.042,955 76.741,956 18.288,957 4.589,961 3.977,964 607.819,965 48.5,968 -3.129,970 24.523,975 66.618,976 75.271,977 0.251,978 0.553,979 0.786,980 0.9,981 0.905,982 0.905,983 5.16,984 1.873,985 6.075,986 5.673,987 4.691,988 5.198,989 1.324,990 6.909,991 4.609,992 6.372,993 1.524,994 7.65,995 5.291,996 4.369,997 5.223,998 0.325,999 8.038,1000 4.217,1001 7.708,1002 1.382,1003 9.337,1004 3.817,1005 6.344,1006 7.474,1007 0.958,1008 11.087,1009 6.168,1010 9.085,1011 1.236,1012 11.096,1013 3.38,1014 6.858,1015 8.339,1016 0.268,1017 13.099,1018 6.596,1019 10.502,1020 1.193,1021 12.907,1022 2.719,1023 8.324,1024 10.124,1025 0.736,1026 15.754,1027 8.036,1028 11.948,1029 1,1030 14.754,1031 2.629,1032 9.22,1033 11.349,1034 0.188,1035 18.102,1036 8.842,1037 13.416,1038 0.865,1039 16.631,1040 2.275,1041 10.503,1042 12.966,1043 0.57,1044 20.663,1045 10.085,1046 3.447,1047 0.787,1048 18.531,1049 2.093,1050 11.573,1051 14.348,1052 0.125,1053 23.135,1054 11.067,1055 3.054,1056 12.881,1057 20.45,1058 1.998,1059 12.797,1060 15.899,1061 0.439,1062 25.679,1063 12.235,1064 2.751,1065 10.248,1066 22.383,1067 4.589,1068 13.946,1069 17.351,1070 0.082,1071 28.197,1072 13.3,1073 2.559,1074 8.182,1075 24.329,1076 4.458,1077 15.155,1078 18.877,1079 0.334,1080 30.74,1081 14.442,1082 2.344,1083 7.453,1084 26.284,1085 3.662,1086 16.341,1087 20.36,1088 0.054,1089 33.277,1090 15.546,1091 2.235,1092 6.782,1093 28.247,1094 3.17,1095 17.551,1096 21.876,1097 0.252,1098 35.824,1099 16.682,1100 1.928,1101 6.686,1102 30.217,1103 2.756,1104 18.755,1105 23.374,1106 0.035,1107 38.369,1108 17.805,1109 19168,1110 29673,1111 25.83,1112 44.449,1113 56.549,1114 58.191,1115 57.849,1116 56.902,1117 56.858,1118 72.18,1119 4.12,1120 165.449,1121 54.581,1122 5.838,1123 6.529,1124 6.984,1125 5.453,1126 5.447,1127 7.589,1128 1.72,1129 20.575,1130 5.201,1131 14.229,1132 1.488,1133 1.531,1134 1.522,1135 1.497,1136 1.496,1137 1.899,1138 0.108,1139 4.354,1140 1.436,1141 4.117,1142 4.126,1143 4.745,1144 4.065,1145 7.715,1146 4.015,1147 4.063,1148 4.076,1149 4.037,1150 3.993,1151 6.999,1152 3.968,1153 3.916,1154 3.955,1155 3.869,1156 3.841,1157 5.016,1158 3.796,1159 3.779,1160 3.814,1161 3.695,1162 3.667,1163 4.731,1164 3.656,1165 3.548,1166 3.594,1167 3.448,1168 3.43,1169 4.58,1170 3.426,1171 3.438,1172 3.502,1173 3.296,1174 3.277,1175 4.328,1176 3.272,1177 3.201,1178 3.219,1179 3.18,1180 3.05,1181 4.212,1182 2.989,1183 3.153,1184 3.208,1185 3.017,1186 2.99,1187 4.071,1188 2.98,1189 0.127,1190 0.119,1191 0.195,1192 0.115,1193 0.091,1194 4.838,1195 0.121,1196 4.529,1197 0.023,1198 7.404,1199 0.339,1200 4.381,1201 0.084,1202 3.447,1203 4.589,1204 0.86,1205 12.881,1206 3.201,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.121,1213 1.964,1214 1.937,1215 2.102,1216 2.073,1217 1.223,1218 2.09,1219 1.815,1220 1.776,1221 1.972,1222 1.969,1223 1.216,1224 1.986,1225 1.672,1226 1.69,1227 1.816,1228 1.789,1229 1.174,1230 1.858,1231 1.54,1232 1.494,1233 1.751,1234 1.721,1235 1.025,1236 1.736,1237 1.481,1238 1.422,1239 1.698,1240 1.663,1241 0.894,1242 1.691,1243 1.416,1244 1.357,1245 1.513,1246 1.605,1247 0.825,1248 1.638,1249 1.153,1250 1.074,1251 1.462,1252 1.376,1253 0.804,1254 1.429,1255 4.344,1257 5.68,1258 2.398,1259 7.207,1260 4.727,1261 8.821,1262 6.804,1263 10.479,1265 2.005,1271 8.634,1273 6.128,1275 0.634,1276 4.059,1280 41.298,1281 102.071,1282 224.575,1283 319.634,1284 365.673,1285 367.673,1286 367.673,1287 63.082,1288 8.394,1289 62.74,1290 71.12,1291 29,1292 12.75,1293 4.322,1294 3.524,1295 50.54,1296 194,1297 160,1298 0.126,1299 252.88,1300 437.92,1301 608.787,1302 67973,1304 23.545,1305 0.693,1306 0.607,1307 23.795,1308 20.636,1309 16.476,1310 0.434,1311 0.366,1312 12.296,1313 15.194,1314 11.864,1315 9.757,1316 17.297,1317 13.897,1318 15.367,1319 0.285,1320 0.214,1321 16.671,1322 11.538,1323 12.611,1324 0.18,1325 0.127,1326 13.714,1327 8.895,1328 10.725,1329 0.118,1330 0.074,1331 11.738,1332 6.711,1333 8.418,1334 0.077,1335 0.04,1336 9.023,1337 4.319,1338 0.208,1339 110.513,1340 0.197,1341 32.354,1342 0.321,1343 184,1344 475.002,1345 235.28,1346 478.054,1347 658.54,1348 446,1349 216,1350 463.436,1351 276.546,1352 501.828,1353 733.56,1354 473,1355 8.801} {0 CHEMBL523064,1 1.477,2 13.194,3 3.265,4 10.66,5 119.79,6 7.273,7 0.472,8 4.162,9 4.281,10 3.734,11 3.723,12 5.162,13 3.702,14 4.756,15 4.928,16 4.144,17 4.163,18 5.716,19 4.126,20 5.029,21 5.242,22 4.139,23 4.309,24 5.973,25 4.222,26 5.038,27 5.276,28 4.01,29 4.301,30 5.839,31 4.17,32 5.051,33 5.309,34 3.946,35 4.272,36 5.819,37 4.131,38 5,39 5.26,40 3.869,41 4.18,42 5.784,43 4.039,44 4.89,45 5.149,46 3.696,47 4.041,48 5.677,49 3.892,50 4.755,51 5.024,52 3.606,53 3.902,54 5.505,55 3.76,56 0.025,57 0.858,58 12.085,59 5.244,60 6.92,61 6.99,62 0.212,63 1.489,64 24.051,65 8.902,66 22.519,67 12.278,68 0.519,69 1.854,70 33.691,71 11.714,72 48.945,73 16.422,74 0.242,75 1.801,76 34.238,77 13.65,78 31.226,79 19.255,80 0.244,81 1.808,82 35.398,83 13.586,84 33.739,85 19.58,86 0.291,87 1.706,88 34.033,89 12.612,90 35.887,91 18.127,92 0.37,93 1.521,94 30.736,95 10.92,96 38.046,97 15.683,98 0.265,99 1.314,100 26.981,101 9.726,102 28.46,103 14.144,104 5,105 53,106 0.24,107 0.587,108 0.798,109 0.899,110 0.899,111 0.899,112 3.472,113 0.922,114 -3.65,115 -3.62,116 -3.44,119 43.9,120 1,121 2,125 4,127 2,140 8,141 2,142 3,144 2,156 1,169 8,172 10,174 1,176 1,178 9,181 2,182 7,184 1,186 2,189 6,192 1,193 7,197 2,199 8,203 7,211 5,215 7,218 1,222 5,225 2,226 4,233 3,236 1,237 1,242 1,244 5,249 3,252 1,256 8,259 1521,260 21.359,261 21.359,262 21.359,263 21.359,264 21.359,265 19.193,266 30.118,267 12.311,268 21.755,269 17.828,270 17.828,271 17.828,272 17.828,273 17.828,274 14.471,275 45.879,276 5.922,277 18.502,278 4.356,279 2.215,280 0.917,281 0.294,282 0.294,283 0.294,284 4.197,288 1,289 1,290 935,291 2.828,294 133.35,295 392.183,299 263.014,302 2.123,303 21.827,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 66,315 409,316 4.571,317 3.653,318 6.836,319 4.224,320 3.27,321 4.476,322 2.03,323 11.389,324 3.124,325 4.303,326 3.484,327 6.351,328 3.939,329 2.974,330 3.93,331 0.892,332 9.771,333 2.867,334 4.136,335 3.085,336 6.212,337 3.911,338 2.948,339 3.33,340 0.8,341 9.341,342 2.834,343 3.732,344 3.026,345 5.868,346 3.425,347 2.476,348 3.018,349 0.8,350 8.048,351 2.367,352 3.663,353 2.712,354 5.273,355 3.331,356 2.346,357 2.943,358 0.141,359 6.739,360 2.286,361 3.43,362 2.541,363 5.191,364 3.089,365 2.11,366 2.656,368 6.17,369 2.064,370 3.36,371 2.305,372 4.952,373 3.02,374 2.037,375 2.621,377 5.78,378 1.983,379 3.069,380 1.983,381 4.83,382 2.714,383 1.74,384 2.266,386 5.207,387 1.691,388 2.917,389 1.821,390 4.495,391 2.512,392 1.572,393 2.022,395 4.457,396 1.503,397 2.884,398 1.642,399 4.387,400 2.507,401 1.523,402 2.009,404 4.268,405 1.469,406 2.526,407 1.529,408 4.271,409 2.447,410 1.474,411 1.527,413 3.826,414 1.428,415 2.408,416 1.347,417 3.869,418 2.08,419 1.112,420 1.383,422 2.882,423 1.073,424 2.063,425 1.198,426 3.351,427 1.774,428 0.834,429 0.99,431 1.953,432 0.776,433 1.933,434 0.827,435 3.321,436 1.66,437 0.696,438 0.847,440 1.779,441 0.668,442 1.589,443 0.744,444 3.179,445 1.461,446 0.497,447 0.531,449 1.262,450 0.477,451 14.767,452 0.476,453 0.794,454 0.026,455 40.25,456 1.298,457 19,458 0.613,459 21.25,460 0.685,461 27.364,462 0.883,463 32.633,464 0.573,465 27.932,466 0.901,467 7.626,468 0.246,469 7.51,470 0.242,471 0.056,473 0.393,479 0.794,480 1.346,481 0.774,482 1.079,483 0.58,484 0.945,485 1.033,486 1.202,487 0.892,488 0.976,489 0.58,490 0.917,491 1.097,492 0.968,493 1.138,494 0.974,495 0.939,496 1.034,497 0.656,498 1.061,499 0.983,500 1.101,501 0.512,502 1.09,503 0.613,504 1.006,505 0.957,506 1.036,507 0.613,508 1.036,509 0.757,510 1.018,511 0.994,512 1.039,513 0.722,514 1.044,515 0.923,516 0.998,517 1.123,518 1.045,519 0.999,520 1.098,521 0.731,522 1.005,523 0.945,524 0.995,525 0.763,526 0.995,527 6.5,528 0.152,529 3.556,530 1.722,531 2.006,532 0.959,533 0.662,534 0.418,535 0.257,536 0.187,537 15674,538 36323,539 2.238,540 45.6,542 18,545 1,546 3,547 2,548 2,550 1.73,551 2.138,552 3.653,553 -0.393,555 1,559 84.167,560 1.477,561 3.618,562 4.916,563 5.539,564 5.539,565 5.539,566 3.1,567 4.632,568 4.927,569 3.853,570 1791.77,571 8.57,572 26043.4,574 1,577 332.475,578 1.26,579 4.905,580 0.181,581 0.006,582 0.067,583 0.034,584 0.046,585 0.023,586 0.018,587 0.014,588 0.009,589 0.007,590 0.405,591 0.5,592 0.88,593 0.415,594 163.039,595 -0.008,596 -0.185,597 0.084,598 -0.05,599 -0.007,600 0.016,601 -0.024,602 -0.081,603 0.038,605 0.071,606 0.023,607 -0.022,608 0.104,609 -0.169,610 -0.02,611 0.011,612 -0.093,613 0.013,614 -0.093,615 -0.038,616 -0.087,617 0.034,618 -0.075,620 -0.044,622 -0.035,623 0.005,624 -0.019,625 -0.005,626 -0.057,627 -0.019,628 -0.053,629 -0.029,630 -0.041,631 -0.032,632 -0.025,633 -0.134,634 -0.077,635 -0.123,636 -0.114,637 0.058,638 -0.056,639 0.044,640 -0.016,641 -0.005,642 0.007,643 1.75,644 4.584,645 0.871,646 32.712,647 0.996,648 1.122,649 2.417,650 5.842,651 0.672,652 3.611,653 3.989,654 4.317,655 4.654,656 4.934,657 5.043,658 5.176,659 5.375,660 5.533,661 5.617,662 7.716,663 0.637,664 414.55,665 3.611,666 5.187,667 6.071,668 6.978,669 7.877,670 8.789,671 9.694,672 10.608,673 11.517,674 12.433,675 7,678 1,681 1,682 1,685 1,687 2,688 8,689 1,693 5,695 17,709 1,712 1,714 57,716 18,717 2,718 36,720 62,721 25,722 15,723 6,724 6,730 6,731 9,736 1,740 3,743 4,745 16,746 9,750 1,755 1,759 1,761 1,764 26,765 6,766 1,767 6,773 4,777 0.5,778 2,786 1,789 2,792 2,793 5,797 2,805 1,815 1,819 3,823 1,827 31,833 6,834 1,835 1,837 2,838 2,847 3.5,850 1,852 1,854 14.5,855 10.517,856 6.5,857 3.59,858 3.528,859 1.395,860 1.037,861 4.622,862 12.469,863 3.839,864 4.454,865 5.032,866 5.627,867 6.2,868 6.463,869 6.788,870 7.17,871 7.484,872 7.493,873 0.889,874 50,875 11.51,877 5.08,878 7.532,879 22.728,881 20.011,883 2.032,884 63,887 1,888 294.278,889 126.735,890 41.045,892 36.145,895 126.735,896 330.422,897 41.045,898 8.825,899 33.989,900 75.81,901 46.635,902 38.665,904 294.278,906 294.278,907 167.78,908 36.145,911 247.193,912 83.229,915 50.84,916 100.154,917 16.786,919 294.278,920 77.19,921 126.735,924 294.278,925 42.1,926 90.884,927 18.011,928 52.93,929 294.278,930 77.19,931 126.735,933 0.595,934 0.35,935 0.197,936 0.113,937 30,938 12,939 0.065,940 4,941 4,942 1.259,943 4.406,944 297.405,945 0.296,946 26,947 151.58,951 19.091,952 7.505,953 3.46,954 2.339,955 77.19,956 16.949,957 4.711,961 5.177,963 18.011,964 498.202,965 45.5,970 11.584,974 -0.083,975 56.781,976 63.979,977 0.253,978 0.62,979 0.843,980 0.95,981 0.95,982 0.95,983 5.119,984 1.74,985 6.071,986 5.78,987 4.673,988 5.142,989 2.452,990 6.919,991 4.599,992 6.32,993 1.572,994 7.646,995 5.207,996 4.29,997 4.977,998 1.738,999 7.84,1000 4.181,1001 7.633,1002 1.523,1003 9.317,1004 4.457,1005 6.304,1006 7.321,1007 3.301,1008 10.969,1009 6.152,1010 8.976,1011 1.474,1012 11.044,1013 4.268,1014 6.735,1015 7.973,1016 3.226,1017 12.729,1018 6.536,1019 10.351,1020 1.112,1021 12.807,1022 3.826,1023 8.221,1024 9.824,1025 4.5,1026 15.374,1027 7.984,1028 11.748,1029 0.834,1030 14.597,1031 2.882,1032 9.034,1033 10.882,1034 4.754,1035 17.494,1036 8.747,1037 13.162,1038 0.696,1039 16.406,1040 1.953,1041 10.311,1042 12.526,1043 5.815,1044 19.975,1045 9.985,1046 3.27,1047 0.497,1048 18.231,1049 1.779,1050 11.306,1051 13.794,1052 6.249,1053 22.253,1054 10.93,1055 2.974,1056 11.389,1057 20.069,1058 1.262,1059 12.5,1060 15.347,1061 7.175,1062 24.679,1063 12.083,1064 2.948,1065 9.771,1066 21.916,1067 4.476,1068 13.58,1069 16.723,1070 7.714,1071 27.027,1072 13.114,1073 2.476,1074 9.341,1075 23.772,1076 3.93,1077 14.744,1078 18.235,1079 8.557,1080 29.439,1081 14.235,1082 2.346,1083 8.048,1084 25.635,1085 3.33,1086 15.864,1087 19.666,1088 9.16,1089 31.822,1090 15.307,1091 2.11,1092 6.739,1093 27.504,1094 3.018,1095 17.02,1096 21.162,1097 9.952,1098 34.232,1099 16.419,1100 2.037,1101 6.17,1102 29.379,1103 2.943,1104 18.16,1105 22.622,1106 10.594,1107 36.633,1108 17.512,1109 14030,1110 21505,1111 24.967,1112 38.307,1113 55.251,1114 56.646,1115 56.441,1116 55.187,1117 55.219,1118 69.096,1119 9.327,1120 165.744,1121 53.222,1122 5.571,1123 5.653,1124 6.355,1125 5.332,1126 5.27,1127 7.476,1128 3.634,1129 18.849,1130 5.124,1131 10.948,1132 1.535,1133 1.574,1134 1.568,1135 1.533,1136 1.534,1137 1.919,1138 0.259,1139 4.604,1140 1.478,1141 4.119,1142 4.158,1143 4.072,1144 4.029,1145 7.429,1146 4.035,1147 3.983,1148 4.013,1149 3.931,1150 3.89,1151 4.985,1152 3.895,1153 3.905,1154 3.951,1155 3.824,1156 3.766,1157 4.845,1158 3.772,1159 3.561,1160 3.605,1161 3.473,1162 3.421,1163 4.49,1164 3.415,1165 3.509,1166 3.556,1167 3.409,1168 3.35,1169 4.346,1170 3.369,1171 3.296,1172 3.359,1173 3.161,1174 3.125,1175 4.27,1176 3.125,1177 3.091,1178 3.164,1179 2.955,1180 2.957,1181 3.953,1182 2.945,1183 2.996,1184 3.086,1185 2.823,1186 2.817,1187 3.883,1188 2.799,1189 0.127,1190 0.101,1191 0.19,1192 0.117,1193 0.091,1194 4.571,1195 0.124,1196 3.653,1197 0.056,1198 6.836,1199 0.316,1200 4.224,1201 0.087,1202 3.27,1203 4.476,1204 2.03,1205 11.389,1206 3.124,1207 2.043,1208 2.019,1209 2.118,1210 2.135,1211 1.313,1212 2.132,1213 1.936,1214 1.913,1215 2.043,1216 2.057,1217 1.251,1218 2.051,1219 1.662,1220 1.599,1221 1.845,1222 1.882,1223 1.174,1224 1.875,1225 1.55,1226 1.498,1227 1.771,1228 1.721,1229 1.107,1230 1.735,1231 1.496,1232 1.441,1233 1.727,1234 1.663,1235 0.892,1236 1.684,1237 1.439,1238 1.397,1239 1.645,1240 1.631,1241 0.802,1242 1.648,1243 1.248,1244 1.185,1245 1.505,1246 1.455,1247 0.692,1248 1.477,1249 1.108,1250 1.035,1251 1.424,1252 1.302,1253 0.493,1254 1.349,1255 4.29,1257 5.652,1258 3.045,1259 7.213,1260 5.416,1261 8.867,1262 7.526,1263 10.57,1265 2.047,1271 5.523,1272 2.908,1273 5.467,1275 1.16,1276 5.218,1280 36.31,1281 84.167,1282 206.233,1283 280.21,1284 315.72,1285 315.72,1286 315.72,1287 40.01,1288 8.941,1289 57.7,1290 57.7,1291 34,1292 12.946,1293 4.248,1294 3.392,1295 39.875,1296 147,1297 126,1298 0.134,1299 215.042,1300 372.02,1301 516.462,1302 117441,1304 20.949,1305 0.676,1306 0.57,1307 20.949,1308 17.674,1309 15.136,1310 0.42,1311 0.307,1312 10.93,1313 14.623,1314 10.679,1315 8.735,1316 15.136,1317 11.066,1318 14.283,1319 0.269,1320 0.168,1321 14.283,1322 8.904,1323 12.503,1324 0.169,1325 0.093,1326 12.503,1327 6.876,1328 11.034,1329 0.106,1330 0.052,1331 11.034,1332 5.368,1333 9.397,1334 0.068,1335 0.028,1336 9.397,1337 3.862,1338 0.215,1339 94.231,1340 0.2,1341 29.466,1342 0.352,1343 178,1344 442.739,1345 193.027,1346 428.698,1347 604.19,1348 406,1349 216,1350 459.795,1351 232.416,1352 464.787,1353 688.51,1354 440,1355 7.6} {0 CHEMBL523095,1 1.5,2 12.69,3 3.044,4 9.265,5 112.962,6 7.33,7 0.515,8 4.083,9 4.203,10 3.656,11 3.627,12 5.114,13 3.61,14 4.65,15 4.826,16 4.014,17 4.035,18 5.64,19 3.999,20 4.925,21 5.136,22 4.074,23 4.207,24 5.896,25 4.128,26 4.962,27 5.201,28 3.912,29 4.197,30 5.781,31 4.067,32 4.978,33 5.254,34 3.81,35 4.131,36 5.759,37 3.988,38 4.863,39 5.124,40 3.686,41 4.027,42 5.668,43 3.879,44 4.763,45 5.023,46 3.535,47 3.896,48 5.549,49 3.735,50 4.653,51 4.943,52 3.433,53 3.718,54 5.417,55 3.575,56 0.017,57 0.798,58 11.056,59 4.743,60 6.367,61 6.315,62 0.223,63 1.335,64 21.689,65 7.729,66 20.967,67 10.651,68 0.489,69 1.662,70 30.257,71 10.71,72 45.101,73 14.907,74 0.2,75 1.665,76 31.727,77 12.302,78 29.236,79 17.482,80 0.293,81 1.659,82 33.822,83 11.911,84 36.329,85 17.532,86 0.31,87 1.472,88 29.801,89 10.866,90 33.992,91 15.554,92 0.263,93 1.298,94 27.096,95 10.063,96 33.38,97 14.424,98 0.306,99 1.159,100 25.232,101 8.235,102 30.765,103 12.273,104 2,105 46,106 0.248,107 0.574,108 0.736,109 0.859,110 0.865,111 0.865,112 3.408,113 0.921,114 -3.23,115 -3.22,116 -3.09,119 43.4,121 1,125 6,140 8,141 2,142 3,143 1,144 1,156 1,169 9,172 5,174 1,176 1,178 8,181 3,182 8,184 1,186 2,189 5,193 7,197 2,199 2,203 7,211 1,214 1,215 5,218 1,225 1,226 4,233 1,236 1,237 3,244 3,249 1,252 1,256 6,259 1288,260 20.17,261 20.17,262 20.17,263 20.17,264 20.17,265 18.03,266 24.531,267 11.947,268 20.593,269 16.329,270 16.329,271 16.329,272 16.329,273 16.329,274 13.038,275 34.837,276 5.705,277 17.007,278 4.228,279 2.254,280 1.268,281 0.528,282 0.491,283 0.491,284 4.126,288 1,289 1,290 831,291 2.55,295 398.324,299 265.955,302 2.019,303 20.072,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 62,315 368,316 4.533,317 3.653,318 6.689,319 4.09,320 3.126,321 4.447,322 2.03,323 10.829,324 3.018,325 4.302,326 3.272,327 6.212,328 3.922,329 2.961,330 3.93,331 0.892,332 9.342,333 2.846,334 3.775,335 3.04,336 5.773,337 3.56,338 2.62,339 3.072,340 0.8,341 7.857,342 2.461,343 3.68,344 2.861,345 5.375,346 3.373,347 2.394,348 2.962,349 0.8,350 7.011,351 2.342,352 3.468,353 2.598,354 5.2,355 3.202,356 2.243,357 2.645,358 0.141,359 6.536,360 2.143,361 3.362,362 2.46,363 4.952,364 3.03,365 2.038,366 2.475,368 5.776,369 2.003,370 3.118,371 1.978,372 4.617,373 2.588,374 1.618,375 2.427,377 4.575,378 1.568,379 2.885,380 1.682,381 4.387,382 2.533,383 1.581,384 2.01,386 4.277,387 1.502,388 2.856,389 1.618,390 4.037,391 2.504,392 1.558,393 1.958,395 3.617,396 1.466,397 2.738,398 1.348,399 3.584,400 2.249,401 1.26,402 1.828,404 2.796,405 1.244,406 2.212,407 1.263,408 3.414,409 1.967,410 1,411 1.113,413 2.275,414 0.965,415 2.057,416 1.146,417 3.348,418 1.852,419 0.895,420 1,422 2.062,423 0.851,424 2,425 0.923,426 3.279,427 1.717,428 0.77,429 0.979,431 1.822,432 0.724,433 1.73,434 0.773,435 3.174,436 1.538,437 0.586,438 0.658,440 1.423,441 0.555,442 1.227,443 0.629,444 2.627,445 0.836,446 -0.134,447 -0.156,449 -0.324,450 -0.129,451 13.767,452 0.475,453 0.585,454 0.02,455 38.75,456 1.336,457 19,458 0.655,459 19.75,460 0.681,461 22.986,462 0.793,463 30.633,464 0.578,465 26.844,466 0.926,467 7.647,468 0.264,469 6.612,470 0.228,471 0.024,473 0.312,479 0.806,480 1.392,481 0.774,482 1.105,483 0.564,484 0.958,485 1.119,486 1.14,487 0.958,488 0.956,489 0.64,490 0.925,491 0.987,492 0.94,493 1.055,494 0.956,495 0.906,496 0.998,497 0.7,498 1.175,499 1.022,500 1.171,501 0.531,502 1.148,503 0.71,504 0.937,505 0.955,506 0.949,507 0.654,508 0.969,509 0.793,510 0.934,511 1.065,512 1.048,513 0.765,514 1.084,515 0.771,516 1.137,517 1.056,518 1.154,519 0.95,520 1.156,521 0.841,522 0.877,523 0.921,524 0.855,525 0.817,526 0.882,527 5,528 0.111,529 3.111,530 1.313,531 1.564,532 0.632,533 0.42,534 0.313,535 0.193,536 0.128,537 13191,538 32202,539 2.215,540 45.3,542 20,544 1,545 1,547 2,550 1.712,551 2.148,552 3.617,553 -0.371,554 1,555 1,559 79.499,560 1.5,561 3.474,562 4.46,563 5.2,564 5.237,565 5.237,566 3.057,567 4.418,568 4.834,569 3.814,570 1548.32,571 8.372,572 21901.9,574 1,576 1,577 303.58,578 1.091,579 4.82,580 0.152,581 0.005,582 0.068,583 0.028,584 0.04,585 0.018,586 0.014,587 0.013,588 0.008,589 0.006,590 0.351,591 0.5,592 0.88,593 0.335,594 150.171,595 -0.015,596 -0.225,597 0.078,598 -0.076,599 0.004,600 -0.002,601 -0.078,602 -0.011,603 -0.026,604 0.01,605 0.026,606 0.004,607 0.055,608 0.115,609 -0.091,610 0.009,611 0.042,612 -0.048,613 -0.016,614 -0.207,615 -0.076,616 -0.162,617 0.027,618 -0.136,619 -0.027,620 0.023,621 0.026,622 0.025,623 0.002,624 0.037,625 -0.015,626 0.025,627 -0.088,628 -0.067,629 -0.05,630 -0.084,631 0.032,632 -0.22,633 -0.074,634 -0.156,635 -0.084,636 -0.141,637 0.029,638 0.063,639 0.101,640 0.094,641 -0.006,642 0.109,643 1.756,644 4.518,645 0.897,646 28.842,647 0.998,648 1.124,649 1.998,650 3.993,651 0.671,652 3.526,653 3.85,654 4.143,655 4.419,656 4.7,657 4.71,658 4.812,659 4.956,660 5.056,661 5.011,662 7.608,663 0.637,664 388.51,665 3.526,666 5.069,667 5.927,668 6.804,669 7.675,670 8.554,671 9.429,672 10.309,673 11.186,674 12.067,675 7.5,678 1,681 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,709 1,712 1,714 53,716 18,717 2,718 33,720 57,721 23,722 15,723 6,724 6,730 5,731 7,743 1,745 16,746 7,750 1,755 1,759 1,761 1,764 24,765 6,766 1,767 6,773 4,777 0.6,778 2,786 1,793 5,797 2,805 1,815 1,819 3,827 29,833 7,834 1,835 1,838 2,847 3.8,850 1,852 1,854 13.5,855 9.433,856 6.278,857 3.285,858 3.463,859 1.422,860 1.029,861 5.087,862 11.67,863 3.773,864 4.357,865 4.933,866 5.512,867 6.081,868 6.27,869 6.58,870 6.908,871 7.178,872 6.966,873 1,874 47,875 10.739,877 4.616,878 7.575,879 21.038,881 17.812,883 2.075,884 60.167,887 1,888 270.735,889 125.877,890 41.045,892 36.145,895 125.877,896 306.88,897 41.045,899 35.666,900 75.81,901 58.406,902 44.956,904 258.964,906 270.735,907 166.922,908 36.145,911 247.193,912 59.687,915 49.982,916 100.154,917 16.786,919 270.735,920 77.19,921 125.877,924 270.735,925 41.02,926 91.106,927 18.011,928 52.93,929 270.735,930 77.19,931 125.877,933 0.581,934 0.341,935 0.19,936 0.11,937 24,938 9,939 0.07,940 4,941 2,942 1.154,943 4.266,944 257.568,945 0.154,946 26,947 134.881,951 18.408,952 8.014,953 3.933,954 2.276,955 77.19,956 18.464,957 4.596,961 3.987,963 18.011,964 473.802,965 42.5,970 11.518,974 -0.089,975 52.898,976 59.564,977 0.262,978 0.607,979 0.779,980 0.908,981 0.914,982 0.914,983 5.012,984 1.581,985 5.894,986 4.575,987 4.533,988 5.043,989 2.452,990 6.688,991 4.454,992 6.193,993 1.558,994 7.435,995 4.277,996 4.007,997 4.783,998 1.738,999 7.535,1000 3.896,1001 7.488,1002 1.26,1003 9.075,1004 3.617,1005 6.107,1006 7.219,1007 3.301,1008 10.639,1009 5.95,1010 8.816,1011 1,1012 10.775,1013 2.796,1014 6.415,1015 7.825,1016 3.226,1017 12.346,1018 6.221,1019 10.178,1020 0.895,1021 12.515,1022 2.275,1023 7.952,1024 9.729,1025 4.5,1026 14.956,1027 7.719,1028 11.565,1029 0.77,1030 14.283,1031 2.062,1032 8.668,1033 10.769,1034 4.754,1035 17.031,1036 8.396,1037 12.972,1038 0.586,1039 16.073,1040 1.822,1041 9.96,1042 12.439,1043 5.815,1044 19.474,1045 9.652,1046 3.126,1047 -0.134,1048 17.879,1049 1.423,1050 10.88,1051 13.701,1052 6.249,1053 21.71,1054 10.534,1055 2.961,1056 10.829,1057 19.698,1058 -0.324,1059 12.065,1060 15.265,1061 7.175,1062 24.098,1063 11.684,1064 2.62,1065 9.342,1066 21.528,1067 4.447,1068 13.088,1069 16.636,1070 7.714,1071 26.406,1072 12.669,1073 2.394,1074 7.857,1075 23.367,1076 3.93,1077 14.229,1078 18.152,1079 8.557,1080 28.778,1081 13.776,1082 2.243,1083 7.011,1084 25.213,1085 3.072,1086 15.301,1087 19.578,1088 9.16,1089 31.118,1090 14.811,1091 2.038,1092 6.536,1093 27.066,1094 2.962,1095 16.426,1096 21.073,1097 9.952,1098 33.487,1099 15.903,1100 1.618,1101 5.776,1102 28.924,1103 2.645,1104 17.522,1105 22.527,1106 10.594,1107 35.844,1108 16.964,1109 11940,1110 18802,1111 23.057,1112 35.546,1113 49.373,1114 50.598,1115 50.02,1116 49.269,1117 49.296,1118 63.004,1119 9.327,1120 140.398,1121 47.374,1122 5.533,1123 5.653,1124 6.378,1125 5.198,1126 5.126,1127 7.447,1128 3.634,1129 17.979,1130 5.018,1131 7.417,1132 1.496,1133 1.533,1134 1.516,1135 1.493,1136 1.494,1137 1.909,1138 0.283,1139 4.254,1140 1.436,1141 4.087,1142 4.121,1143 4.043,1144 4.005,1145 7.429,1146 4.01,1147 3.978,1148 4.004,1149 3.928,1150 3.886,1151 4.995,1152 3.891,1153 3.788,1154 3.854,1155 3.679,1156 3.599,1157 4.845,1158 3.609,1159 3.548,1160 3.589,1161 3.461,1162 3.364,1163 4.432,1164 3.376,1165 3.437,1166 3.486,1167 3.339,1168 3.312,1169 4.331,1170 3.318,1171 3.277,1172 3.343,1173 3.143,1174 3.107,1175 4.243,1176 3.106,1177 3.111,1178 3.206,1179 2.908,1180 2.941,1181 3.952,1182 2.91,1183 3.003,1184 3.066,1185 2.866,1186 2.85,1187 3.881,1188 2.856,1189 0.137,1190 0.111,1191 0.203,1192 0.124,1193 0.095,1194 4.533,1195 0.135,1196 3.653,1197 0.062,1198 6.689,1199 0.328,1200 4.09,1201 0.091,1202 3.126,1203 4.447,1204 2.03,1205 10.829,1206 3.018,1207 2.04,1208 2.013,1209 2.122,1210 2.142,1211 1.354,1212 2.138,1213 1.938,1214 1.913,1215 2.048,1216 2.059,1217 1.231,1218 2.055,1219 1.743,1220 1.676,1221 1.934,1222 1.953,1223 1.146,1224 1.951,1225 1.486,1226 1.442,1227 1.687,1228 1.707,1229 0.902,1230 1.702,1231 1.427,1232 1.383,1233 1.618,1234 1.576,1235 0.825,1236 1.592,1237 1.261,1238 1.199,1239 1.513,1240 1.468,1241 0.697,1242 1.488,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.647,1248 1.429,1249 0.971,1250 0.914,1251 1.19,1252 1.18,1253 0.37,1254 1.187,1255 4.205,1257 5.525,1259 7.055,1261 8.678,1263 10.348,1271 6.145,1272 2.887,1273 5.436,1276 4.946,1280 33.783,1281 79.499,1282 184.138,1283 236.361,1284 275.58,1285 277.58,1286 277.58,1287 37.185,1288 8.208,1289 57.7,1290 57.7,1291 30,1292 12.603,1293 4.248,1294 3.392,1295 39.991,1296 136,1297 110,1298 0.142,1299 203.25,1300 349.78,1301 487.691,1302 50301,1304 19.631,1305 0.677,1306 0.562,1307 19.631,1308 16.304,1309 14.259,1310 0.432,1311 0.307,1312 9.987,1313 13.729,1314 9.809,1315 8.037,1316 14.259,1317 10.128,1318 12.779,1319 0.278,1320 0.165,1321 12.779,1322 7.598,1323 11.094,1324 0.179,1325 0.092,1326 11.094,1327 5.718,1328 9.438,1329 0.115,1330 0.05,1331 9.438,1332 4.129,1333 8.229,1334 0.075,1335 0.028,1336 8.229,1337 3.048,1338 0.231,1339 89.09,1340 0.208,1341 28.075,1342 0.37,1343 158,1344 420.739,1345 172.028,1346 405.674,1347 564.82,1348 384,1349 187,1350 420.739,1351 202.444,1352 425.063,1353 625.54,1354 402,1355 9.6} {0 CHEMBL525362,1 1.419,2 16.121,3 4.544,4 20.645,5 131.843,6 6.666,7 0.472,8 4.273,9 4.407,10 3.747,11 3.799,12 5.263,13 3.756,14 4.841,15 5.038,16 4.072,17 4.19,18 5.792,19 4.116,20 5.124,21 5.362,22 4.105,23 4.348,24 5.986,25 4.238,26 5.175,27 5.43,28 4.034,29 4.335,30 6.018,31 4.194,32 5.161,33 5.425,34 3.936,35 4.275,36 5.99,37 4.132,38 5.067,39 5.328,40 3.883,41 4.223,42 5.852,43 4.073,44 5.044,45 5.31,46 3.808,47 4.182,48 5.819,49 4.028,50 4.994,51 5.261,52 3.774,53 4.154,54 5.745,55 3.993,56 0.061,57 0.968,58 15.518,59 6.284,60 8.98,61 8.883,62 0.331,63 1.563,64 28.664,65 10.402,66 32.195,67 15.102,68 0.424,69 1.919,70 38.831,71 13.408,72 41.017,73 19.698,74 0.356,75 1.913,76 40.773,77 15.047,78 46.855,79 21.789,80 0.442,81 1.837,82 40.846,83 14.114,84 53.473,85 20.494,86 0.286,87 1.732,88 36.527,89 13.366,90 37.161,91 19.577,92 0.388,93 1.7,94 36.064,95 12.446,96 40.979,97 18.442,98 0.287,99 1.62,100 33.886,101 12.5,102 28.821,103 18.373,104 14,105 48,106 0.225,107 0.552,108 0.772,109 0.867,110 0.872,111 0.872,112 3.531,113 0.996,114 -4.19,115 -4.13,116 -3.91,119 40.3,120 2,121 3,122 1,125 5,140 9,141 2,142 2,144 2,157 1,169 12,172 8,174 2,175 1,176 3,178 15,181 1,182 5,186 2,189 11,192 1,193 7,197 5,199 11,203 7,208 3,211 5,215 8,220 4,222 5,225 1,226 5,231 1,233 6,237 4,240 1,242 2,244 8,249 5,256 9,259 2004,260 22.61,261 22.61,262 22.61,263 22.61,264 22.61,265 20.42,266 27.926,267 13.723,268 23.063,269 17.796,270 17.796,271 17.796,272 17.796,273 17.796,274 14.481,275 32.082,276 6.505,277 18.46,278 4.647,279 2.584,280 1.195,281 0.59,282 0.56,283 0.56,284 4.231,289 1,290 1146,291 3.742,295 438.504,299 170.728,302 2.602,303 21.26,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 70,315 532,316 4.516,317 3.546,318 6.517,319 4.026,320 3.054,321 4.458,322 1.656,323 10.248,324 2.968,325 4.108,326 3.185,327 5.717,328 3.775,329 2.79,330 3.688,331 0.86,332 8.108,333 2.752,334 3.726,335 2.941,336 5.484,337 3.58,338 2.621,339 3.17,340 0.8,341 7.385,342 2.518,343 3.71,344 2.8,345 5.325,346 3.341,347 2.383,348 2.901,349 0.247,350 6.776,351 2.275,352 3.586,353 2.602,354 5.254,355 3.283,356 2.33,357 2.656,359 6.686,360 2.217,361 3.317,362 2.385,363 4.965,364 3.098,365 2.126,366 2.622,368 5.897,369 2.048,370 3.28,371 2.155,372 4.813,373 2.852,374 1.892,375 2.444,377 5.292,378 1.808,379 3.037,380 1.982,381 4.647,382 2.772,383 1.79,384 2.219,386 4.999,387 1.752,388 2.987,389 1.598,390 4.196,391 2.512,392 1.524,393 2.086,395 3.817,396 1.504,397 2.659,398 1.511,399 3.529,400 2.206,401 1.239,402 1.728,404 2.722,405 1.201,406 2.49,407 1.462,408 3.494,409 2.149,410 1.192,411 1.487,413 2.62,414 1.126,415 2.137,416 1.246,417 3.414,418 1.984,419 1,420 1.08,422 2.275,423 0.983,424 2.119,425 1.077,426 3.312,427 1.974,428 1,429 1.07,431 1.999,432 0.967,433 2,434 0.963,435 3.099,436 1.835,437 0.865,438 1,440 1.66,441 0.836,442 1.384,443 0.513,444 2.935,445 1.209,446 0.25,447 0.273,449 0.619,450 0.238,451 15.767,452 0.478,453 0.656,454 0.02,455 39.5,456 1.197,457 18.5,458 0.561,459 21,460 0.636,461 31.163,462 0.944,463 36.433,464 0.544,465 28.436,466 0.862,467 7.564,468 0.229,469 8.538,470 0.259,471 0.085,473 0.279,479 0.838,480 1.387,481 0.9,482 1.172,483 0.64,484 1.058,485 0.927,486 1.131,487 0.976,488 1.045,489 0.556,490 1.017,491 1.198,492 0.979,493 1.072,494 0.975,495 0.955,496 0.997,497 0.924,498 1.077,499 0.977,500 1.099,501 0.85,502 1.056,503 1.37,504 0.921,505 1.056,506 0.938,507 1.337,508 0.964,509 0.919,510 1.113,511 0.999,512 1.09,513 0.775,514 1.063,515 1.126,516 0.978,517 1.104,518 0.995,519 1.039,520 1.038,521 0.79,522 1.032,523 1.015,524 1.072,525 0.781,526 1.069,527 6.5,528 0.177,529 2.667,530 1.875,531 1.351,532 0.708,533 0.604,534 0.37,535 0.254,536 0.171,537 18666,538 42167,539 2.097,540 50.7,541 3,542 19,545 2,546 3,547 7,550 1.744,551 2,552 3.926,553 0.132,559 95.072,560 1.419,561 3.482,562 4.871,563 5.476,564 5.506,565 5.506,566 3.374,567 4.741,568 5.016,569 4.133,570 2182.06,571 8.739,572 35864.1,577 406.428,578 1.241,579 4.992,580 0.181,581 0.007,582 0.056,583 0.039,584 0.031,585 0.018,586 0.016,587 0.011,588 0.008,589 0.006,590 0.373,591 0.33,592 1,593 1.079,594 181.4,595 -0.008,596 -0.146,597 0.059,598 -0.046,599 -0.013,600 0.005,601 0.105,602 0.006,603 0.013,604 -0.012,605 0.154,606 -0.012,607 -0.091,608 0.073,609 -0.073,610 0.013,611 -0.054,612 -0.018,613 0.042,614 -0.11,615 0.001,616 -0.092,617 0.085,618 -0.056,619 -0.144,620 0.03,621 -0.05,622 0.035,623 -0.126,624 0.008,625 -0.029,626 -0.143,627 -0.027,628 -0.088,629 -0.023,630 -0.064,631 -0.117,632 0.015,633 -0.115,634 -0.025,635 -0.149,636 -0.065,637 -0.008,638 -0.052,639 -0.052,640 -0.074,641 -0.049,642 -0.07,643 1.819,644 4.764,645 0.667,646 41.658,647 0.99,648 1.129,649 2.961,650 8.765,651 0.647,652 3.611,653 3.892,654 4.111,655 4.357,656 4.564,657 4.575,658 4.635,659 4.745,660 4.787,661 4.82,662 9.229,663 0.603,664 446.65,665 3.611,666 5.13,667 5.953,668 6.808,669 7.645,670 8.505,671 9.348,672 10.21,673 11.057,674 11.919,675 6,678 1,682 2,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 67,716 18,717 2,718 36,720 70,721 27,722 15,723 5,724 7,730 4,731 5,735 1,736 2,740 2,741 1,743 3,745 16,746 11,747 1,750 1,755 1,759 1,764 34,765 6,766 2,767 6,773 4,777 0.75,778 2,786 1,793 4,797 1,815 1,819 3,823 2,827 33,833 8,834 2,835 1,837 1,838 1,847 3,850 1,852 1,854 16.5,855 12.317,856 7.389,857 4.351,858 3.357,859 1.418,860 0.974,861 8.192,862 11.383,863 3.839,864 4.382,865 4.9,866 5.468,867 6,868 6.19,869 6.452,870 6.772,871 6.976,872 6.729,873 0.909,874 48,875 12.232,877 5.055,878 7.545,879 24.06,881 19.716,883 2.045,884 67.5,888 376.675,889 146.491,890 55.931,892 36.145,895 146.491,896 412.82,897 55.931,898 17.65,899 56.64,900 85.286,901 41.93,902 32.784,903 4.276,904 376.675,906 376.675,907 202.422,908 36.145,911 294.278,912 118.543,915 82.316,916 103.321,917 16.786,919 376.675,920 92.076,921 146.491,924 376.675,925 43.554,926 106.061,927 36.022,928 52.93,929 376.675,930 92.076,931 146.491,933 0.567,934 0.32,935 0.176,936 0.095,937 21,938 9,939 0.114,940 8,941 1,942 1.091,943 4.63,944 283.252,945 0.091,946 22,947 158.465,951 23.532,952 11.488,953 6.688,954 2.06,955 92.076,956 18.412,957 4.59,961 4.071,963 36.022,964 615.242,965 45.5,970 11.764,974 -0.153,975 66.316,976 75.64,977 0.234,978 0.574,979 0.803,980 0.903,981 0.908,982 0.908,983 5.058,984 1.79,985 5.905,986 5.292,987 4.575,988 5.069,989 2.109,990 6.645,991 4.508,992 6.223,993 1.524,994 7.413,995 4.999,996 4.007,997 4.783,998 1.305,999 7.368,1000 3.916,1001 7.501,1002 1.239,1003 9.014,1004 3.817,1005 6.098,1006 7.207,1007 2.545,1008 10.439,1009 5.969,1010 8.81,1011 1.192,1012 10.672,1013 2.722,1014 6.33,1015 7.771,1016 2.354,1017 12.01,1018 6.177,1019 10.151,1020 1,1021 12.367,1022 2.62,1023 7.867,1024 9.682,1025 3.285,1026 14.583,1027 7.684,1028 11.517,1029 1,1030 14.089,1031 2.275,1032 8.503,1033 10.69,1034 3.414,1035 16.552,1036 8.296,1037 12.902,1038 0.865,1039 15.832,1040 1.999,1041 9.789,1042 12.371,1043 4.168,1044 18.951,1045 9.557,1046 3.054,1047 0.25,1048 17.593,1049 1.66,1050 10.64,1051 13.616,1052 4.466,1053 21.111,1054 10.384,1055 2.79,1056 10.248,1057 19.368,1058 0.619,1059 11.81,1060 15.19,1061 5.115,1062 23.453,1063 11.53,1064 2.621,1065 8.108,1066 21.156,1067 4.458,1068 12.776,1069 16.559,1070 5.504,1071 25.701,1072 12.471,1073 2.383,1074 7.385,1075 22.955,1076 3.688,1077 13.895,1078 18.083,1079 6.092,1080 28.025,1081 13.567,1082 2.33,1083 6.776,1084 24.764,1085 3.17,1086 14.921,1087 19.514,1088 6.531,1089 30.314,1090 14.568,1091 2.126,1092 6.686,1093 26.583,1094 2.901,1095 16.021,1096 21.017,1097 7.084,1098 32.636,1099 15.644,1100 1.892,1101 5.897,1102 28.408,1103 2.656,1104 17.08,1105 22.478,1106 7.551,1107 34.944,1108 16.676,1109 17716,1110 26746,1111 24.444,1112 43.353,1113 52.195,1114 53.483,1115 53.405,1116 52.109,1117 52.113,1118 65.765,1119 7.126,1120 142.207,1121 50.384,1122 5.516,1123 5.546,1124 6.289,1125 5.097,1126 5.054,1127 7.458,1128 2.912,1129 17.078,1130 4.968,1131 14.325,1132 1.45,1133 1.486,1134 1.483,1135 1.447,1136 1.448,1137 1.827,1138 0.198,1139 3.95,1140 1.4,1141 4.079,1142 4.105,1143 4.038,1144 4.001,1145 7.431,1146 4.007,1147 3.976,1148 4.016,1149 3.902,1150 3.898,1151 5.016,1152 3.893,1153 3.821,1154 3.879,1155 3.712,1156 3.683,1157 4.748,1158 3.68,1159 3.62,1160 3.693,1161 3.51,1162 3.43,1163 4.58,1164 3.427,1165 3.548,1166 3.595,1167 3.446,1168 3.379,1169 4.329,1170 3.393,1171 3.441,1172 3.507,1173 3.292,1174 3.277,1175 4.229,1176 3.273,1177 3.263,1178 3.331,1179 3.103,1180 3.035,1181 4.21,1182 3.045,1183 3.135,1184 3.206,1185 3,1186 2.958,1187 3.919,1188 2.958,1189 0.125,1190 0.098,1191 0.181,1192 0.112,1193 0.085,1194 4.516,1195 0.124,1196 3.546,1197 0.046,1198 6.517,1199 0.285,1200 4.026,1201 0.082,1202 3.054,1203 4.458,1204 1.656,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.121,1213 1.956,1214 1.922,1215 2.102,1216 2.072,1217 1.222,1218 2.086,1219 1.804,1220 1.75,1221 1.973,1222 1.967,1223 1.145,1224 1.971,1225 1.559,1226 1.495,1227 1.844,1228 1.818,1229 1.003,1230 1.826,1231 1.538,1232 1.477,1233 1.752,1234 1.71,1235 0.985,1236 1.725,1237 1.439,1238 1.374,1239 1.699,1240 1.625,1241 0.825,1242 1.654,1243 1.199,1244 1.136,1245 1.513,1246 1.479,1247 0.805,1248 1.469,1249 1.153,1250 1.064,1251 1.457,1252 1.376,1253 0.7,1254 1.429,1255 4.29,1257 5.58,1259 7.06,1261 8.632,1263 10.251,1265 3.923,1271 7.865,1272 5.671,1273 6.125,1275 0.675,1276 2.497,1280 40.417,1281 95.072,1282 233.327,1283 326.389,1284 366.918,1285 368.918,1286 368.918,1287 53.672,1288 8.025,1289 66.49,1290 66.49,1291 24,1292 12.471,1293 4.248,1294 3.392,1295 54.908,1296 188,1297 180,1298 0.141,1299 249.013,1300 431.34,1301 599.352,1302 42840,1304 23.045,1305 0.698,1306 0.595,1307 23.045,1308 19.641,1309 16.102,1310 0.447,1311 0.332,1312 11.827,1313 15.583,1314 11.506,1315 9.572,1316 16.102,1317 11.958,1318 14.115,1319 0.294,1320 0.183,1321 14.115,1322 8.798,1323 11.288,1324 0.188,1325 0.104,1326 11.288,1327 6.25,1328 9.596,1329 0.125,1330 0.058,1331 9.596,1332 4.499,1333 7.585,1334 0.08,1335 0.034,1336 7.585,1337 3.232,1338 0.233,1339 99.979,1340 0.202,1341 31.762,1342 0.355,1343 168,1344 425.427,1345 181.833,1346 413.17,1347 570.68,1348 390,1349 192,1350 420.964,1351 205.031,1352 426.728,1353 619.69,1354 403,1355 9.6} {0 CHEMBL525712,1 1.397,2 14.806,3 4.199,4 17.632,5 123.521,6 6.735,7 0.5,8 4.196,9 4.323,10 3.683,11 3.747,12 5.193,13 3.703,14 4.764,15 4.954,16 4.018,17 4.138,18 5.713,19 4.067,20 5.048,21 5.274,22 4.039,23 4.298,24 5.932,25 4.188,26 5.109,27 5.367,28 3.952,29 4.294,30 5.898,31 4.142,32 5.092,33 5.356,34 3.856,35 4.231,36 5.885,37 4.076,38 5.013,39 5.281,40 3.78,41 4.149,42 5.783,43 3.989,44 4.943,45 5.21,46 3.691,47 4.07,48 5.711,49 3.914,50 4.875,51 5.143,52 3.668,53 4.038,54 5.627,55 3.881,56 0.05,57 0.873,58 14.077,59 5.988,60 8.243,61 8.266,62 0.229,63 1.438,64 26.143,65 9.852,66 26.69,67 14.019,68 0.414,69 1.798,70 35.797,71 12.694,72 43.453,73 18.172,74 0.296,75 1.815,76 37.87,77 14.824,78 36.562,79 21.19,80 0.345,81 1.743,82 37.805,83 14.079,84 43.21,85 20.054,86 0.275,87 1.637,88 34.728,89 12.943,90 36.402,91 18.72,92 0.352,93 1.548,94 32.669,95 11.473,96 37.794,97 16.728,98 0.265,99 1.449,100 30.14,101 11.283,102 26.802,103 16.358,104 12,105 46,106 0.225,107 0.547,108 0.756,109 0.86,110 0.865,111 0.865,112 3.471,113 0.984,114 -4.36,115 -4.29,116 -4.05,119 41.9,120 2,121 3,122 1,125 4,140 9,141 2,142 2,144 2,156 1,169 12,172 9,174 1,176 3,178 15,181 1,182 5,186 2,189 11,192 1,193 6,197 2,199 13,203 7,208 1,211 7,215 8,220 2,222 5,225 1,226 5,233 5,237 4,240 1,244 8,249 5,256 8,259 1685,260 21.032,261 21.032,262 21.032,263 21.032,264 21.032,265 18.79,266 24.623,267 12.649,268 21.367,269 16.847,270 16.847,271 16.847,272 16.847,273 16.847,274 13.514,275 28.511,276 6.076,277 17.381,278 4.557,279 2.549,280 1.251,281 0.605,282 0.573,283 0.573,284 4.171,288 1,289 1,290 994,291 3.464,295 403.296,299 156.288,302 2.366,303 19.685,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65.5,315 459,316 4.516,317 3.533,318 6.517,319 4.026,320 3.054,321 4.458,322 1.907,323 10.248,324 2.968,325 4.104,326 3.185,327 5.71,328 3.772,329 2.785,330 3.687,331 0.86,332 8.087,333 2.751,334 3.721,335 2.94,336 5.468,337 3.57,338 2.61,339 3.17,340 0.8,341 7.339,342 2.513,343 3.688,344 2.799,345 5.324,346 3.31,347 2.357,348 2.849,349 0.149,350 6.739,351 2.248,352 3.541,353 2.602,354 5.224,355 3.269,356 2.306,357 2.64,359 6.638,360 2.213,361 3.304,362 2.383,363 4.877,364 3.051,365 2.059,366 2.61,368 5.647,369 2.022,370 3.257,371 2.155,372 4.813,373 2.848,374 1.888,375 2.395,377 5.291,378 1.805,379 3.028,380 1.982,381 4.355,382 2.725,383 1.719,384 2.218,386 4.374,387 1.72,388 2.987,389 1.598,390 4.196,391 2.512,392 1.523,393 2.079,395 3.817,396 1.504,397 2.656,398 1.462,399 3.528,400 2.194,401 1.234,402 1.723,404 2.719,405 1.189,406 2.49,407 1.246,408 3.486,409 2.147,410 1.178,411 1.487,413 2.601,414 1.125,415 2.136,416 1.077,417 3.414,418 1.984,419 1,420 1.08,422 2.275,423 0.983,424 2,425 0.963,426 3.312,427 1.835,428 0.865,429 1,431 1.999,432 0.836,433 1.384,434 0.606,435 2.947,436 1.209,437 0.25,438 0.273,440 0.62,441 0.238,442 1.197,443 0.462,444 2.671,445 0.886,446 -0.076,447 -0.088,449 -0.195,450 -0.073,451 14.867,452 0.48,453 0.694,454 0.022,455 38,456 1.226,457 18.5,458 0.597,459 19.5,460 0.629,461 28.447,462 0.918,463 33.733,464 0.544,465 26.44,466 0.853,467 7.285,468 0.235,469 7.779,470 0.251,471 0.09,473 0.296,479 0.784,480 1.329,481 0.878,482 1.145,483 0.616,484 1.038,485 0.988,486 1.171,487 0.953,488 1.04,489 0.564,490 0.994,491 1.33,492 0.98,493 1.151,494 0.986,495 1.133,496 1.032,497 0.719,498 1.047,499 0.947,500 1.089,501 0.481,502 1.053,503 1.124,504 0.963,505 1.021,506 0.994,507 0.916,508 1.001,509 0.919,510 1.08,511 0.992,512 1.058,513 0.758,514 1.04,515 1.153,516 0.977,517 1.098,518 0.978,519 1.04,520 1.022,521 0.819,522 0.961,523 0.983,524 0.997,525 0.79,526 1.004,527 6.5,528 0.169,529 2.444,530 1.75,531 1.351,532 0.708,533 0.584,534 0.326,535 0.234,536 0.171,537 15676,538 35831,539 2.104,540 50,541 3,542 17,545 1,546 6,547 4,550 1.728,551 2,552 3.812,553 -0.425,555 1,559 86.614,560 1.397,561 3.405,562 4.703,563 5.349,564 5.381,565 5.381,566 3.229,567 4.672,568 4.927,569 4.028,570 1873.19,571 8.558,572 29097.2,574 1,577 369.16,578 1.277,579 4.899,580 0.191,581 0.008,582 0.053,583 0.039,584 0.034,585 0.02,586 0.018,587 0.011,588 0.008,589 0.007,590 0.388,591 0.33,592 1,593 0.805,594 166.539,595 0.008,596 -0.134,597 0.062,598 -0.043,599 -0.009,600 0.006,601 0.025,602 -0.055,603 0.026,604 -0.017,605 0.128,606 0.001,607 -0.139,608 0.079,609 -0.15,610 -0.007,611 -0.112,612 -0.066,613 0.08,614 -0.088,615 0.015,616 -0.082,617 0.11,618 -0.047,619 -0.078,620 -0.02,621 -0.033,622 -0.01,623 -0.057,624 -0.016,625 -0.023,626 -0.127,627 -0.016,628 -0.074,629 -0.018,630 -0.051,631 -0.107,632 0.01,633 -0.103,634 -0.022,635 -0.137,636 -0.058,637 -0.004,638 0.013,639 -0.013,640 -0.016,641 -0.038,642 -0.015,643 1.692,644 4.275,645 0.71,646 35.979,647 0.989,648 1.125,649 3.125,650 9.767,651 0.655,652 3.555,653 3.85,654 4.06,655 4.317,656 4.533,657 4.533,658 4.585,659 4.691,660 4.718,661 4.754,662 8.672,663 0.611,664 417.6,665 3.555,666 5.081,667 5.905,668 6.765,669 7.603,670 8.466,671 9.31,672 10.174,673 11.021,674 11.886,675 4.8,678 1,682 1,685 1,687 2,688 9,689 1,693 4,695 17,712 1,714 62,716 18,717 2,718 34,720 65,721 26,722 15,723 5,724 7,730 4,731 5,736 2,740 2,741 1,743 3,745 16,746 10,747 1,750 1,755 1,759 1,761 1,764 31,765 5,766 1,767 5,773 3,777 0.75,778 2,786 1,793 4,797 1,805 1,815 1,819 3,823 2,827 31,833 7,834 1,835 1,837 1,838 1,847 3.2,850 1,852 1,854 15.5,855 11.567,856 6.806,857 3.914,858 3.34,859 1.423,860 0.978,861 7.085,862 11.228,863 3.795,864 4.357,865 4.869,866 5.451,867 5.99,868 6.174,869 6.43,870 6.747,871 6.941,872 6.687,873 0.9,874 45,875 11.484,877 4.772,878 7.548,879 22.611,881 18.681,883 2.048,884 63.5,887 1,888 353.133,889 144.814,890 37.921,892 36.145,895 144.814,896 389.278,897 37.921,898 17.65,899 36.524,900 85.286,901 46.635,902 32.784,904 353.133,906 353.133,907 182.735,908 36.145,911 306.049,912 83.229,915 62.199,916 103.75,917 16.786,919 353.133,920 74.065,921 144.814,924 353.133,925 41.877,926 106.061,927 18.011,928 52.93,929 353.133,930 74.065,931 144.814,933 0.574,934 0.316,935 0.175,936 0.098,937 21,938 9,939 0.108,940 7,941 1,942 1.091,943 4.443,944 262.679,945 0.091,946 22,947 145.58,951 21.64,952 10.149,953 5.981,954 2.064,955 74.065,956 18.431,957 4.585,961 4.125,963 18.011,964 572.012,965 43.5,970 11.275,974 -0.025,975 61.33,976 69.727,977 0.235,978 0.572,979 0.79,980 0.898,981 0.904,982 0.904,983 5.019,984 1.719,985 5.866,986 5.291,987 4.533,988 5.043,989 2.25,990 6.611,991 4.474,992 6.195,993 1.523,994 7.377,995 4.374,996 4.007,997 4.783,998 1.668,999 7.345,1000 3.929,1001 7.477,1002 1.234,1003 8.981,1004 3.817,1005 6.061,1006 7.192,1007 2.986,1008 10.411,1009 5.945,1010 8.789,1011 1.178,1012 10.64,1013 2.719,1014 6.312,1015 7.762,1016 3.047,1017 11.988,1018 6.174,1019 10.132,1020 1,1021 12.336,1022 2.601,1023 7.836,1024 9.672,1025 4.056,1026 14.563,1027 7.667,1028 11.498,1029 0.865,1030 14.06,1031 2.275,1032 8.48,1033 10.682,1034 4.412,1035 16.538,1036 8.287,1037 12.884,1038 0.25,1039 15.805,1040 1.999,1041 9.762,1042 12.365,1043 5.254,1044 18.939,1045 9.544,1046 3.054,1047 -0.076,1048 17.567,1049 0.62,1050 10.618,1051 13.612,1052 5.75,1053 21.102,1054 10.375,1055 2.785,1056 10.248,1057 19.345,1058 -0.195,1059 11.787,1060 15.187,1061 6.502,1062 23.445,1063 11.521,1064 2.61,1065 8.087,1066 21.135,1067 4.458,1068 12.756,1069 16.556,1070 7.068,1071 25.695,1072 12.464,1073 2.357,1074 7.339,1075 22.936,1076 3.687,1077 13.876,1078 18.082,1079 7.771,1080 28.021,1081 13.56,1082 2.306,1083 6.739,1084 24.748,1085 3.17,1086 14.905,1087 19.512,1088 8.374,1089 30.311,1090 14.562,1091 2.059,1092 6.638,1093 26.568,1094 2.849,1095 16.005,1096 21.016,1097 9.051,1098 32.633,1099 15.638,1100 1.888,1101 5.647,1102 28.396,1103 2.64,1104 17.066,1105 22.478,1106 9.674,1107 34.942,1108 16.672,1109 14797,1110 22484,1111 23.057,1112 40.586,1113 49.797,1114 50.785,1115 50.579,1116 49.65,1117 49.657,1118 63.338,1119 7.432,1120 136.785,1121 48.232,1122 5.516,1123 5.533,1124 6.097,1125 5.097,1126 5.054,1127 7.458,1128 3.306,1129 17.078,1130 4.968,1131 13.708,1132 1.465,1133 1.494,1134 1.488,1135 1.46,1136 1.461,1137 1.863,1138 0.219,1139 4.023,1140 1.419,1141 4.078,1142 4.105,1143 4.038,1144 4.001,1145 7.43,1146 4.007,1147 3.975,1148 4.015,1149 3.901,1150 3.898,1151 5.016,1152 3.893,1153 3.821,1154 3.878,1155 3.712,1156 3.684,1157 4.747,1158 3.681,1159 3.558,1160 3.607,1161 3.457,1162 3.43,1163 4.58,1164 3.427,1165 3.524,1166 3.571,1167 3.426,1168 3.318,1169 4.329,1170 3.334,1171 3.43,1172 3.491,1173 3.283,1174 3.254,1175 4.213,1176 3.256,1177 3.152,1178 3.218,1179 3.016,1180 2.987,1181 3.993,1182 2.982,1183 3.111,1184 3.206,1185 2.893,1186 2.941,1187 3.881,1188 2.912,1189 0.133,1190 0.104,1191 0.192,1192 0.118,1193 0.09,1194 4.516,1195 0.131,1196 3.533,1197 0.056,1198 6.517,1199 0.301,1200 4.026,1201 0.087,1202 3.054,1203 4.458,1204 1.907,1205 10.248,1206 2.968,1207 2.032,1208 2.011,1209 2.114,1210 2.125,1211 1.478,1212 2.121,1213 1.957,1214 1.922,1215 2.102,1216 2.072,1217 1.222,1218 2.086,1219 1.805,1220 1.751,1221 1.975,1222 1.964,1223 1.146,1224 1.97,1225 1.539,1226 1.494,1227 1.754,1228 1.73,1229 1,1230 1.735,1231 1.468,1232 1.411,1233 1.716,1234 1.688,1235 0.825,1236 1.697,1237 1.418,1238 1.358,1239 1.687,1240 1.616,1241 0.805,1242 1.644,1243 1.153,1244 1.08,1245 1.513,1246 1.376,1247 0.739,1248 1.429,1249 1.146,1250 1.064,1251 1.443,1252 1.363,1253 0.674,1254 1.391,1255 4.234,1257 5.533,1259 7.02,1261 8.597,1263 10.22,1265 3.556,1271 7.312,1272 2.875,1273 6.113,1275 0.692,1276 2.498,1280 37.869,1281 86.614,1282 211.108,1283 291.611,1284 331.65,1285 333.65,1286 333.65,1287 48.348,1288 7.888,1289 54.46,1290 54.46,1291 24,1292 12.437,1293 4.248,1294 3.392,1295 49.946,1296 165,1297 140,1298 0.145,1299 232.627,1300 403.04,1301 559.369,1302 35522,1304 21.631,1305 0.698,1306 0.595,1307 21.631,1308 18.434,1309 15.064,1310 0.443,1311 0.328,1312 11.036,1313 14.609,1314 10.701,1315 8.884,1316 15.064,1317 11.147,1318 13.615,1319 0.296,1320 0.185,1321 13.615,1322 8.495,1323 10.575,1324 0.186,1325 0.105,1326 10.575,1327 5.975,1328 9.082,1329 0.123,1330 0.059,1331 9.082,1332 4.366,1333 7.363,1334 0.08,1335 0.035,1336 7.363,1337 3.175,1338 0.239,1339 93.297,1340 0.208,1341 30.08,1342 0.368,1343 160,1344 403.094,1345 171.946,1346 392.297,1347 540.64,1348 370,1349 183,1350 397.274,1351 194.2,1352 404.118,1353 584.13,1354 381,1355 9.3} {0 CHEMBL534232,1 1.406,2 11.276,3 5.359,4 28.723,5 121.238,6 7.268,7 0.563,8 4.099,9 4.219,10 3.653,11 3.702,12 5.107,13 3.648,14 4.648,15 4.822,16 3.999,17 4.107,18 5.582,19 4.026,20 4.974,21 5.195,22 4.066,23 4.293,24 5.84,25 4.166,26 5.059,27 5.299,28 4.07,29 4.317,30 5.902,31 4.173,32 5.142,33 5.384,34 4.097,35 4.344,36 6.056,37 4.205,38 5.158,39 5.418,40 4.012,41 4.318,42 6.027,43 4.154,44 4.999,45 5.264,46 3.797,47 4.19,48 5.779,49 4.009,50 4.865,51 5.14,52 3.624,53 4.05,54 5.609,55 3.859,56 0.053,57 0.749,58 12.014,59 5.338,60 10.413,61 7.269,62 0.163,63 1.283,64 22.682,65 8.765,66 19.969,67 12.178,68 0.356,69 1.669,70 35.006,71 12.871,72 35.157,73 17.766,74 0.246,75 1.76,76 37.673,77 14.732,78 35.165,79 20.482,80 0.341,81 1.872,82 41.546,83 15.626,84 57.182,85 21.203,86 0.462,87 1.889,88 45.867,89 15.794,90 60.611,91 21.655,92 0.324,93 1.644,94 38.818,95 13.72,96 39.152,97 19.294,98 0.165,99 1.45,100 30.484,101 12.344,102 29.252,103 17.521,104 5,105 43,106 0.231,107 0.475,108 0.601,109 0.75,110 0.778,111 0.778,112 3.408,113 0.993,114 -5.54,115 -5.42,116 -5.06,119 44.6,122 1,125 5,127 1,140 14,141 2,142 2,169 16,172 2,176 1,178 22,181 1,182 2,184 1,186 2,189 16,193 4,197 4,199 11,203 6,208 4,211 10,215 6,218 1,220 2,222 8,226 6,233 4,237 4,242 2,244 3,249 4,254 1,256 5,259 1376,260 19.982,261 19.982,262 19.982,263 19.982,264 19.982,265 17.778,266 22.546,267 12.141,268 20.373,269 15.842,270 15.842,271 15.842,272 15.842,273 15.842,274 12.748,275 33.958,276 5.804,277 16.537,278 4.401,279 2.915,280 2.146,281 1.244,282 1.071,283 1.071,284 4.108,285 1,288 1,289 1,290 712,291 3.162,295 429.232,302 1.765,303 17.509,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 60.333,315 327,316 4.312,317 3.469,318 6.751,319 4.113,320 3.124,321 3.755,322 0.8,323 10.999,324 3.09,325 4.157,326 3.182,327 6.167,328 3.837,329 2.899,330 3.709,331 0.8,332 9.16,333 2.714,334 3.736,335 2.884,336 5.441,337 3.432,338 2.504,339 3.298,340 0.68,341 7.218,342 2.318,343 3.641,344 2.688,345 5.247,346 3.278,347 2.278,348 2.801,350 6.4,351 2.278,352 3.445,353 2.361,354 5.049,355 3.118,356 2.218,357 2.605,359 6.069,360 1.98,361 3.194,362 2.18,363 4.854,364 2.888,365 1.939,366 2.352,368 5.236,369 1.802,370 2.82,371 1.686,372 4.223,373 2.473,374 1.503,375 1.908,377 3.812,378 1.443,379 2.781,380 1.6,381 3.826,382 2.317,383 1.374,384 1.904,386 3.204,387 1.317,388 2.701,389 1.38,390 3.555,391 2.313,392 1.317,393 1.764,395 2.88,396 1.247,397 2.5,398 1.161,399 3.472,400 2.083,401 1.1,402 1.5,404 2.522,405 1.076,406 2.5,407 1.146,408 3.414,409 2,410 1,411 1.5,413 2.275,414 1,415 2.453,416 1,417 3.247,418 2,419 1,420 1.442,422 2.136,423 1,424 2,425 1,426 3.247,427 1.967,428 1,429 1,431 2.136,432 0.965,433 1.546,434 0.496,435 3.201,436 1.311,437 0.327,438 0.386,440 0.909,441 0.321,442 1.022,443 0.243,444 2.682,445 0.84,446 -0.099,447 -0.106,449 -0.239,450 -0.092,451 14.348,452 0.495,453 0.554,454 0.019,455 36.5,456 1.259,457 18.5,458 0.638,459 18,460 0.621,461 25.576,462 0.882,463 30.652,464 0.547,465 26.269,466 0.906,467 7.306,468 0.252,469 6.898,470 0.238,471 0.073,473 0.265,479 0.847,480 1.246,481 0.715,482 0.974,483 0.885,484 0.941,485 1.118,486 1.133,487 0.869,488 0.957,489 0.827,490 0.991,491 1.124,492 0.955,493 1.005,494 0.974,495 1.061,496 1.018,497 0.746,498 1.108,499 0.811,500 1.078,501 0.781,502 1.044,503 1.351,504 1.053,505 0.857,506 0.981,507 1.6,508 0.984,509 1.374,510 0.96,511 1.065,512 0.957,513 1.485,514 0.979,515 0.885,516 1.005,517 1.067,518 1.056,519 0.849,520 1.06,521 0.493,522 1.079,523 0.727,524 1.032,525 0.52,526 1.046,527 4.5,528 0.099,529 2.667,530 2,531 1.267,532 0.84,533 0.58,534 0.217,535 0.196,536 0.229,537 11344,538 27367,539 2.132,540 48.2,542 25,545 1,547 1,550 1.72,551 2.047,552 3.446,553 -0.439,559 78.734,560 1.406,561 2.892,562 3.661,563 4.564,564 4.736,565 4.736,566 2.857,567 4.03,568 4.83,569 3.657,570 1484.74,571 8.413,572 20425.9,577 325.212,578 1.178,579 4.812,580 0.141,581 0.005,582 0.062,583 0.045,584 0.029,585 0.019,586 0.015,587 0.007,588 0.007,589 0.01,590 0.341,591 0.5,592 0.88,593 0.434,594 147.933,595 -0.022,596 -0.114,597 0.03,598 -0.002,599 -0.085,600 0.02,601 -0.132,602 0.005,603 -0.062,604 -0.022,605 -0.064,606 -0.055,607 -0.043,608 0.092,609 -0.097,610 -0.02,611 -0.068,612 -0.064,613 0.097,614 -0.129,615 0.027,616 -0.108,617 0.122,618 -0.062,619 -0.07,620 -0.087,622 -0.024,623 -0.061,624 -0.023,625 -0.084,626 0.009,627 -0.066,628 0.006,629 -0.12,630 -0.016,631 -0.035,632 -0.026,633 -0.102,634 -0.085,635 -0.098,636 -0.078,637 0.058,638 -0.121,639 0.027,640 -0.072,641 0.045,642 -0.053,643 1.794,644 5.215,645 0.828,646 28.457,647 0.988,648 1.117,649 4.315,650 18.617,651 0.683,652 3.497,653 3.784,654 4.043,655 4.304,656 4.511,657 4.477,658 4.595,659 4.673,660 4.673,661 4.762,662 6.917,663 0.633,664 406.99,665 3.497,666 5.017,667 5.855,668 6.718,669 7.571,670 8.44,671 9.299,672 10.171,673 11.033,674 11.905,675 3.6,678 1,681 1,688 14,693 4,695 18,709 1,713 1,714 56,716 18,717 3,718 32,720 59,721 25,722 18,723 4,724 14,730 4,731 4,732 1,743 1,745 18,746 7,747 1,764 27,765 3,766 1,767 4,768 1,773 2,777 1,778 1,780 1,793 4,815 1,817 1,819 4,824 1,827 29,832 1,833 5,837 2,838 2,846 1,847 1.8,848 1,854 14.167,855 9.576,856 6.444,857 3.375,858 2.096,859 1.287,860 0.964,861 6.627,862 9.397,863 3.738,864 4.256,865 4.751,866 5.265,867 5.74,868 5.674,869 5.966,870 6.226,871 6.337,872 6.546,873 1,874 44,875 10.761,877 4.543,878 7.533,879 21.128,881 17.684,883 2.033,884 58.944,888 306.049,889 155.824,890 6.249,891 39.149,892 42.683,895 155.824,896 387.881,897 6.249,899 10.529,900 175.351,902 18.877,904 306.049,905 39.149,906 306.049,907 162.073,908 42.683,909 39.149,911 294.278,912 11.771,913 42.683,915 13.653,916 148.42,917 39.149,919 306.049,920 48.932,921 194.973,924 306.049,925 23.157,926 138.916,928 81.832,929 306.049,930 48.932,931 194.973,933 0.57,934 0.331,935 0.188,936 0.104,937 20,938 8,939 0.102,940 6,942 1,943 4.121,944 252.394,946 24,947 114.127,951 20.118,952 9.553,953 5.063,955 48.932,956 28.687,961 4.255,963 42.683,964 549.954,965 41,975 55.341,976 62.548,977 0.242,978 0.498,979 0.63,980 0.786,981 0.816,982 0.816,983 4.952,984 1.374,985 5.808,986 3.812,987 4.466,988 4.942,989 1.347,990 6.581,991 4.384,992 6.104,993 1.317,994 7.335,995 3.204,996 3.892,997 4.369,998 0.57,999 7.416,1000 3.698,1001 7.364,1002 1.1,1003 8.967,1004 2.88,1005 6.009,1006 6.968,1007 0.854,1008 10.539,1009 5.855,1010 8.654,1011 1,1012 10.664,1013 2.522,1014 6.293,1015 7.188,1016 0.479,1017 12.283,1018 6.058,1019 9.976,1020 1,1021 12.407,1022 2.275,1023 7.84,1024 9.258,1025 0.553,1026 14.905,1027 7.629,1028 11.322,1029 1,1030 14.183,1031 2.136,1032 8.545,1033 9.889,1034 0.346,1035 17.025,1036 8.282,1037 12.686,1038 0.327,1039 15.983,1040 2.136,1041 9.841,1042 11.682,1043 0.357,1044 19.482,1045 9.587,1046 3.124,1047 -0.099,1048 17.801,1049 0.909,1050 10.757,1051 12.554,1052 0.237,1053 21.758,1054 10.473,1055 2.899,1056 10.999,1057 19.634,1058 -0.239,1059 11.944,1060 14.18,1061 0.229,1062 24.163,1063 11.66,1064 2.504,1065 9.16,1066 21.479,1067 3.755,1068 12.965,1069 15.203,1070 0.158,1071 26.504,1072 12.663,1073 2.278,1074 7.218,1075 23.334,1076 3.709,1077 14.107,1078 16.722,1079 0.146,1080 28.894,1081 13.801,1082 2.218,1083 6.4,1084 25.196,1085 3.298,1086 15.179,1087 17.844,1088 0.104,1089 31.262,1090 14.862,1091 1.939,1092 6.069,1093 27.065,1094 2.801,1095 16.305,1096 19.293,1097 0.093,1098 33.649,1099 15.983,1100 1.503,1101 5.236,1102 28.939,1103 2.605,1104 17.403,1105 20.481,1106 0.068,1107 36.03,1108 17.073,1109 10676,1110 16681,1111 21.959,1112 38.222,1113 47.698,1114 47.181,1115 48.141,1116 47.489,1117 47.169,1118 59.846,1119 4.56,1120 129.912,1121 45.105,1122 5.312,1123 5.469,1124 6.553,1125 5.18,1126 5.124,1127 6.755,1128 1.48,1129 17.733,1130 5.09,1131 9.869,1132 1.491,1133 1.474,1134 1.504,1135 1.484,1136 1.474,1137 1.87,1138 0.143,1139 4.06,1140 1.41,1141 4.025,1142 4.061,1143 4.015,1144 3.96,1145 6.449,1146 3.954,1147 3.936,1148 3.973,1149 3.935,1150 3.858,1151 4.944,1152 3.854,1153 3.808,1154 3.841,1155 3.729,1156 3.753,1157 4.794,1158 3.743,1159 3.741,1160 3.796,1161 3.688,1162 3.578,1163 4.688,1164 3.583,1165 3.456,1166 3.506,1167 3.385,1168 3.302,1169 4.416,1170 3.3,1171 3.111,1172 3.206,1173 3.239,1174 2.941,1175 4.225,1176 2.91,1177 3.066,1178 3.137,1179 2.919,1180 2.909,1181 3.861,1182 2.907,1183 2.881,1184 2.925,1185 2.866,1186 2.797,1187 3.729,1188 2.77,1189 0.135,1190 0.108,1191 0.211,1192 0.129,1193 0.098,1194 4.312,1195 0.117,1196 3.469,1197 0.025,1198 6.751,1199 0.344,1200 4.113,1201 0.097,1202 3.124,1203 3.755,1204 0.8,1205 10.999,1206 3.09,1207 1.991,1208 1.966,1209 2.106,1210 2.084,1211 1.368,1212 2.091,1213 1.91,1214 1.878,1215 2.029,1216 2.034,1217 1.27,1218 2.042,1219 1.824,1220 1.794,1221 1.961,1222 1.905,1223 1.039,1224 1.926,1225 1.713,1226 1.652,1227 1.892,1228 1.875,1229 1.01,1230 1.889,1231 1.434,1232 1.384,1233 1.661,1234 1.632,1235 0.898,1236 1.643,1237 1.153,1238 1.064,1239 1.513,1240 1.376,1241 0.825,1242 1.429,1243 1.047,1244 0.982,1245 1.297,1246 1.253,1247 0.522,1248 1.27,1249 0.886,1250 0.824,1251 1.181,1252 1.07,1253 0.294,1254 1.107,1255 4.174,1257 5.468,1259 6.967,1261 8.553,1263 10.181,1266 6.143,1270 11.215,1271 4.403,1275 -0.485,1276 4.727,1280 35.433,1281 78.734,1282 161.977,1283 205.038,1284 255.56,1285 265.212,1286 265.212,1287 46.628,1288 7.3,1289 26.71,1290 26.71,1291 24,1292 12.449,1293 4.248,1294 3.322,1295 44.72,1296 120,1297 115,1298 0.179,1299 220.577,1300 381.16,1301 529.967,1302 13970,1303 1.8,1304 20.054,1305 0.692,1306 0.595,1307 20.554,1308 17.249,1309 14.204,1310 0.444,1311 0.331,1312 10.166,1313 13.624,1314 9.912,1315 8.166,1316 14.492,1317 10.592,1318 12.399,1319 0.288,1320 0.188,1321 12.807,1322 8.07,1323 10.286,1324 0.184,1325 0.106,1326 10.548,1327 5.928,1328 8.84,1329 0.121,1330 0.06,1331 9.093,1332 4.373,1333 7.137,1334 0.079,1335 0.034,1336 7.351,1337 3.103,1338 0.283,1339 90.161,1340 0.213,1341 27.674,1342 0.486,1343 150,1344 345.643,1345 172.119,1346 374.356,1347 507.08,1348 352,1349 174,1350 346.065,1351 191.358,1352 365.614,1353 531.88,1354 346,1355 7.9} {0 CHEMBL537403,1 1.421,2 12.032,3 4.423,4 19.562,5 124.427,6 6.502,7 0.353,8 4.245,9 4.381,10 3.706,11 3.742,12 5.191,13 3.7,14 4.846,15 5.055,16 4.022,17 4.147,18 5.7,19 4.072,20 5.145,21 5.396,22 4.12,23 4.328,24 5.952,25 4.217,26 5.208,27 5.457,28 4.093,29 4.337,30 6.089,31 4.215,32 5.25,33 5.511,34 4.084,35 4.347,36 6.115,37 4.224,38 5.238,39 5.499,40 4.028,41 4.366,42 6.04,43 4.218,44 5.245,45 5.529,46 3.933,47 4.335,48 5.993,49 4.167,50 5.179,51 5.468,52 3.784,53 4.255,54 5.893,55 4.068,56 0.05,57 0.952,58 15.579,59 6.05,60 9.014,61 8.804,62 0.333,63 1.559,64 29.517,65 9.693,66 23.93,67 14.738,68 0.447,69 1.93,70 39.922,71 13.256,72 30.8,73 20.08,74 0.457,75 1.962,76 42.777,77 14.051,78 52.578,79 21.082,80 0.606,81 2.01,82 45.028,83 14.077,84 59.425,85 21.295,86 0.508,87 2.03,88 43.888,89 14.658,90 45.685,91 22.147,92 0.409,93 2.003,94 43.95,95 14.724,96 44.44,97 22.618,98 0.479,99 1.837,100 41.208,101 14.111,102 44.692,103 21.391,104 6,105 45,106 0.228,107 0.49,108 0.673,109 0.803,110 0.841,111 0.841,112 3.472,113 1.022,114 -4.61,115 -4.53,116 -4.26,119 38.5,121 5,122 1,124 1,125 6,140 7,142 2,143 1,145 1,156 1,169 11,171 2,172 7,178 9,181 3,182 10,189 4,192 1,193 9,199 1,202 2,203 8,211 3,214 2,215 8,222 5,226 5,233 5,236 2,237 4,244 3,248 1,249 5,256 1,259 1654,260 21.612,261 21.612,262 21.612,263 21.612,264 21.612,265 20.053,266 25.661,267 13.117,268 22.159,269 16.731,270 16.731,271 16.731,272 16.731,273 16.731,274 14.377,275 36.127,276 6.131,277 17.503,278 4.601,279 2.969,280 1.829,281 1.024,282 0.781,283 0.781,284 4.172,288 1,289 1,290 807,291 3.464,295 467.094,302 1.711,303 21.807,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 66,315 373,316 4.294,317 3.844,318 6.609,319 4.036,320 3.073,321 3.862,322 1.94,323 10.443,324 2.966,325 4.262,326 3.288,327 6.498,328 3.96,329 3.017,330 3.641,331 0.86,332 10.161,333 2.843,334 3.764,335 2.869,336 5.73,337 3.497,338 2.534,339 3.073,340 0.8,341 7.669,342 2.44,343 3.569,344 2.756,345 5.408,346 3.419,347 2.481,348 2.619,349 0.8,350 7.081,351 2.31,352 3.207,353 2.448,354 5.115,355 2.977,356 2.053,357 2.311,358 0.555,359 6.015,360 1.908,361 3.111,362 2.201,363 4.668,364 2.874,365 1.9,366 2.217,368 4.811,369 1.836,370 2.917,371 1.82,372 4.03,373 2.514,374 1.521,375 2.084,377 3.383,378 1.505,379 2.803,380 1.684,381 3.856,382 2.462,383 1.495,384 1.842,386 3.273,387 1.437,388 2.524,389 1.382,390 3.6,391 2.197,392 1.22,393 1.528,395 2.844,396 1.19,397 2.5,398 1.295,399 3.509,400 2.095,401 1.115,402 1.5,404 2.673,405 1.089,406 2.33,407 1.182,408 3.414,409 2,410 1,411 1.313,413 2.275,414 1,415 2.065,416 1.146,417 3.359,418 1.967,419 1,420 1,422 2.136,423 0.965,424 2,425 1,426 3.247,427 1.958,428 1,429 1,431 2.136,432 0.955,433 2,434 1,435 3.247,436 1.837,437 0.83,438 0.932,440 1.991,441 0.829,442 1.657,443 0.939,444 2.912,445 1.373,446 0.489,447 0.554,449 0.786,450 0.427,451 14.767,452 0.476,453 0.5,454 0.016,455 35.5,456 1.145,457 15,458 0.484,459 20.5,460 0.661,461 30.998,462 1,463 35.033,464 0.539,465 25.63,466 0.827,467 6.632,468 0.214,469 8.626,470 0.278,471 0.056,473 0.251,479 0.796,480 1.601,481 0.904,482 1.302,483 0.546,484 1.141,485 1.14,486 1.171,487 1.055,488 1.033,489 0.667,490 1.023,491 0.979,492 1.011,493 0.983,494 0.991,495 0.869,496 0.979,497 1.273,498 1.152,499 1.069,500 1.092,501 1.58,502 1.064,503 1.464,504 0.936,505 1.084,506 0.907,507 1.66,508 0.945,509 1.105,510 1.048,511 1.103,512 1.045,513 1.206,514 1.069,515 0.924,516 1.026,517 1.024,518 1.005,519 1.166,520 1.018,521 0.88,522 0.912,523 1.053,524 0.978,525 0.975,526 1.026,527 4,528 0.194,529 3.333,530 1.875,531 1.227,532 0.931,533 0.586,534 0.257,535 0.167,536 0.191,537 13674,538 28723,539 2.123,540 52.3,541 10,542 22,544 1,546 1,550 1.737,551 2.044,552 3.525,553 -0.799,555 1,559 92.384,560 1.421,561 3.053,562 4.193,563 4.999,564 5.242,565 5.242,566 2.901,567 4.414,568 4.928,569 3.741,570 1739.52,571 8.609,572 25533.7,577 391.454,578 1.14,579 4.91,580 0.118,581 0.008,582 0.074,583 0.039,584 0.027,585 0.021,586 0.014,587 0.007,588 0.005,589 0.007,590 0.32,591 0.33,592 1,593 0.575,594 162.305,595 0.035,596 -0.316,597 0.083,598 -0.129,599 0.059,600 -0.037,601 -0.031,602 0.001,603 -0.036,604 -0.009,605 0.017,606 -0.021,607 0.035,608 0.051,609 0.016,610 -0.004,611 0.036,612 0.005,613 -0.049,614 -0.14,615 -0.057,616 -0.106,617 -0.029,618 -0.086,619 -0.114,620 0.064,621 -0.056,622 0.042,623 -0.111,624 0.006,625 -0.061,626 -0.036,627 -0.11,628 -0.065,629 -0.099,630 -0.091,631 -0.073,632 -0.048,633 -0.052,634 -0.038,635 -0.106,636 -0.041,637 -0.029,638 0.047,639 -0.084,640 -0.012,641 -0.08,642 -0.049,643 1.411,644 6.324,645 0.774,646 31.915,647 0.989,648 1.133,649 3.382,650 11.439,651 0.636,652 3.555,653 3.829,654 4.111,655 4.331,656 4.533,657 4.489,658 4.605,659 4.663,660 4.727,661 4.796,662 7.365,663 0.591,664 422.63,665 3.555,666 5.069,667 5.911,668 6.765,669 7.621,670 8.482,671 9.343,672 10.206,673 11.069,674 11.934,675 6.2,678 1,681 1,682 1,685 1,688 8,689 1,693 3,695 12,709 1,712 1,714 65,716 13,717 1,718 34,720 68,721 25,722 11,723 2,724 4,730 4,731 4,740 5,741 1,743 5,745 12,746 13,747 1,750 1,755 1,759 1,764 34,765 6,767 6,773 4,777 1,778 2,786 1,793 4,806 1,815 1,819 4,823 1,827 31,833 11,835 1,837 1,838 3,847 3.1,850 1,852 1,854 15.167,855 11.633,856 7.056,857 4.263,858 1.698,859 1.229,860 0.962,861 7.819,862 9.13,863 3.738,864 4.19,865 4.668,866 5.1,867 5.51,868 5.421,869 5.642,870 5.761,871 5.83,872 5.987,873 0.875,874 48,875 11.555,877 4.814,878 7.5,879 22.921,881 19.042,883 2,884 62,888 400.217,889 126.604,890 26.158,892 36.145,895 126.604,896 436.362,897 26.158,898 10.883,899 28.431,900 66.334,901 58.406,902 34.296,903 2.328,904 388.446,906 400.217,907 152.762,908 36.145,911 400.217,912 36.145,915 40.603,916 95.374,917 16.786,919 400.217,920 62.303,921 126.604,924 400.217,925 40.34,926 95.637,928 52.93,929 400.217,930 62.303,931 126.604,933 0.564,934 0.341,935 0.189,936 0.102,937 20,938 8,939 0.103,940 7,942 1,943 4.298,944 273.298,946 24,947 145.58,951 22.103,952 10.967,953 5.581,955 62.303,956 15.825,957 4.494,961 2.869,964 589.125,965 41,970 13.324,974 0.256,975 64.316,976 73.64,977 0.236,978 0.507,979 0.696,980 0.83,981 0.87,982 0.87,983 4.963,984 1.495,985 5.855,986 3.383,987 4.511,988 4.875,989 2.406,990 6.629,991 4.424,992 6.086,993 1.22,994 7.387,995 3.273,996 3.892,997 4.35,998 1.803,999 7.493,1000 3.73,1001 7.341,1002 1.115,1003 9.027,1004 2.844,1005 6.057,1006 6.842,1007 3.066,1008 10.606,1009 5.875,1010 8.631,1011 1,1012 10.736,1013 2.673,1014 6.347,1015 7.2,1016 3.157,1017 12.354,1018 6.089,1019 9.96,1020 1,1021 12.491,1022 2.275,1023 7.901,1024 9.132,1025 4.153,1026 14.96,1027 7.624,1028 11.316,1029 1,1030 14.276,1031 2.136,1032 8.618,1033 9.911,1034 4.543,1035 17.048,1036 8.274,1037 12.692,1038 0.83,1039 16.082,1040 2.136,1041 9.913,1042 11.589,1043 5.386,1044 19.484,1045 9.544,1046 3.073,1047 0.489,1048 17.904,1049 1.991,1050 10.835,1051 12.591,1052 5.912,1053 21.711,1054 10.408,1055 3.017,1056 10.443,1057 19.738,1058 0.786,1059 12.019,1060 14.134,1061 6.671,1062 24.086,1063 11.56,1064 2.534,1065 10.161,1066 21.58,1067 3.862,1068 13.04,1069 15.264,1070 7.263,1071 26.373,1072 12.53,1073 2.481,1074 7.669,1075 23.429,1076 3.641,1077 14.177,1078 16.728,1079 7.976,1080 28.724,1081 13.631,1082 2.053,1083 7.081,1084 25.284,1085 3.073,1086 15.244,1087 17.935,1088 8.602,1089 31.036,1090 14.652,1091 1.9,1092 6.015,1093 27.143,1094 2.619,1095 16.364,1096 19.351,1097 9.292,1098 33.378,1099 15.734,1100 1.521,1101 4.811,1102 29.005,1103 2.311,1104 17.454,1105 20.606,1106 9.936,1107 35.703,1108 16.78,1109 12928,1110 18864,1111 23.345,1112 41.353,1113 50.162,1114 50.952,1115 51.159,1116 49.836,1117 49.783,1118 59.328,1119 9.912,1120 136.126,1121 47.719,1122 5.294,1123 5.844,1124 6.411,1125 5.103,1126 5.073,1127 6.862,1128 3.348,1129 17.573,1130 4.966,1131 10.444,1132 1.475,1133 1.499,1134 1.505,1135 1.466,1136 1.464,1137 1.745,1138 0.292,1139 4.004,1140 1.403,1141 3.995,1142 4.045,1143 3.922,1144 3.868,1145 7.427,1146 3.874,1147 3.92,1148 3.961,1149 3.855,1150 3.804,1151 4.896,1152 3.807,1153 3.821,1154 3.873,1155 3.709,1156 3.711,1157 4.862,1158 3.705,1159 3.741,1160 3.8,1161 3.629,1162 3.572,1163 4.405,1164 3.577,1165 3.477,1166 3.541,1167 3.359,1168 3.288,1169 4.323,1170 3.295,1171 3.249,1172 3.315,1173 3.1,1174 3.06,1175 4.23,1176 3.056,1177 3.245,1178 3.308,1179 3.062,1180 2.968,1181 3.979,1182 2.978,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.827,1188 2.91,1189 0.126,1190 0.113,1191 0.194,1192 0.119,1193 0.09,1194 4.294,1195 0.114,1196 3.844,1197 0.057,1198 6.609,1199 0.307,1200 4.036,1201 0.087,1202 3.073,1203 3.862,1204 1.94,1205 10.443,1206 2.966,1207 1.915,1208 1.88,1209 2.102,1210 2.078,1211 1.486,1212 2.078,1213 1.898,1214 1.854,1215 2.042,1216 2.042,1217 1.331,1218 2.052,1219 1.813,1220 1.768,1221 1.952,1222 1.958,1223 1.097,1224 1.964,1225 1.715,1226 1.65,1227 1.903,1228 1.891,1229 1.004,1230 1.898,1231 1.444,1232 1.378,1233 1.691,1234 1.661,1235 0.89,1236 1.673,1237 1.224,1238 1.161,1239 1.573,1240 1.512,1241 0.825,1242 1.532,1243 1.197,1244 1.124,1245 1.513,1246 1.446,1247 0.825,1248 1.463,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.823,1254 1.429,1255 4.234,1257 5.517,1259 7.015,1261 8.6,1263 10.228,1265 1.727,1271 11.048,1273 5.531,1275 0.151,1276 6.775,1280 38.417,1281 92.384,1282 198.472,1283 272.544,1284 324.925,1285 340.699,1286 340.699,1287 53.327,1288 7.431,1289 48.91,1290 48.91,1291 24,1292 12.481,1293 3.807,1294 3,1295 49.426,1296 138,1297 123,1298 0.172,1299 235.683,1300 412.92,1301 566.827,1302 16969,1304 21.468,1305 0.693,1306 0.599,1307 21.468,1308 18.58,1309 15.258,1310 0.449,1311 0.341,1312 11.43,1313 14.675,1314 11.192,1315 9.256,1316 15.258,1317 11.588,1318 12.794,1319 0.284,1320 0.189,1321 12.794,1322 8.513,1323 11.221,1324 0.187,1325 0.11,1326 11.221,1327 6.584,1328 9.197,1329 0.123,1330 0.064,1331 9.197,1332 4.766,1333 7.421,1334 0.081,1335 0.038,1336 7.421,1337 3.471,1338 0.273,1339 95.422,1340 0.207,1341 29.335,1342 0.461,1343 158,1344 400.052,1345 172.113,1346 382.022,1347 526.95,1348 362,1349 184,1350 386.097,1351 199.945,1352 389.153,1353 569.01,1354 367,1355 5} {0 CHEMBL541993,1 1.829,2 7.118,3 3.182,4 10.126,5 63.786,6 8.956,7 0.333,8 3.489,9 3.616,10 3.184,11 2.991,12 4.646,13 2.994,14 4.041,15 4.223,16 3.6,17 3.364,18 5.488,19 3.345,20 4.25,21 4.473,22 3.643,23 3.485,24 5.449,25 3.432,26 4.186,27 4.385,28 3.636,29 3.429,30 5.383,31 3.363,32 4.182,33 4.424,34 3.264,35 3.278,36 5.436,37 3.154,38 3.992,39 4.28,40 2.955,41 2.976,42 5.023,43 2.858,44 3.756,45 4.021,46 2.904,47 2.704,48 5.095,49 2.648,50 3.535,51 3.796,52 2.595,53 2.274,54 5.06,55 2.27,56 0.124,57 0.568,58 4.45,59 2.485,60 15.554,61 2.933,62 0.502,63 0.942,64 10.811,65 4.422,66 71.804,67 5.177,68 0.585,69 0.859,70 17.04,71 4.971,72 59.911,73 6.357,74 0.453,75 0.771,76 16.584,77 4.786,78 44.396,79 6.095,80 0.611,81 0.711,82 20.146,83 4.695,84 50.012,85 6.508,86 0.405,87 0.643,88 15.116,89 4.654,90 53.045,91 6.174,92 0.351,93 0.623,94 12.753,95 3.894,96 40.1,97 4.436,98 0.49,99 0.488,100 12.895,101 3.031,102 69.032,103 2.482,104 20,105 25,106 0.36,107 0.73,108 0.863,109 0.896,110 0.896,111 0.896,112 2.908,113 0.935,114 -4.17,115 -4.12,116 -3.89,119 37.9,120 1,125 1,127 1,128 1,140 3,141 1,142 2,157 1,169 2,172 2,174 2,175 1,176 2,178 6,186 1,189 2,193 3,197 6,199 4,203 1,208 1,211 1,220 2,259 253,260 11.069,261 11.069,262 11.069,263 11.069,264 11.069,265 10.057,266 15.129,267 6.54,268 11.554,269 8.878,270 8.878,271 8.878,272 8.878,273 8.878,274 7.316,275 20.381,276 3.111,277 9.743,278 3.029,279 1.143,280 0.466,281 0.302,282 0.302,283 0.302,284 3.558,285 1,288 1,289 1,290 248,291 2.739,295 79.199,299 67.933,302 1.197,303 23.696,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 38.833,315 121,316 4.465,317 3.511,318 6.734,319 4.109,320 3.153,321 4.083,322 1.51,323 10.892,324 3.007,325 3.779,326 3.23,327 5.417,328 3.335,329 2.441,330 3.071,331 1.284,332 7.105,333 2.172,334 3.27,335 2.925,336 5.078,337 2.994,338 2.139,339 2.497,340 0.553,341 5.849,342 1.934,343 3.202,344 2.333,345 4.783,346 2.962,347 2.009,348 2.264,349 0.247,350 5.19,351 1.772,352 3.036,353 2.252,354 4.582,355 2.652,356 1.758,357 2.12,359 4.76,360 1.52,361 2.54,362 1.303,363 3.706,364 2.165,365 1.198,366 1.548,368 2.745,369 1.132,370 1.664,371 1.155,372 3.064,373 1.441,374 0.577,375 0.603,377 1.312,378 0.49,379 1.166,380 0.51,381 2.693,382 0.774,383 -0.172,384 -0.2,386 -0.446,387 -0.14,388 1.013,389 0.402,390 2.412,391 0.617,392 -0.214,393 -0.259,395 -0.517,396 -0.165,397 0.692,398 0.12,399 2.333,400 0.332,401 -0.585,402 -0.667,404 -1.509,405 -0.523,406 0.212,407 -0.199,408 1.842,409 -0.009,410 -0.937,411 -1,413 -2,414 -0.7,416 -0.662,417 1.563,418 -0.3,419 -1,420 -1.055,422 -2.549,423 -0.86,424 -0.095,425 -1.005,426 1.366,427 -0.454,428 -1.324,429 -1.489,431 -3.367,432 -1.082,433 -0.268,434 -1.163,435 1.231,436 -0.581,437 -1.458,438 -1.812,440 -3.837,441 -1.334,442 -0.5,443 -1.411,444 1.047,445 -0.763,446 -1.67,447 -2.02,448 -0.405,449 -4.839,450 -1.597,451 7.986,452 0.47,453 0.511,454 0.03,455 19.25,456 1.132,457 8,458 0.471,459 11.25,460 0.662,461 13.024,462 0.766,463 19.614,464 0.676,465 12.712,466 0.748,467 3.971,468 0.234,469 4.104,470 0.241,471 0.224,473 0.376,475 2,479 0.628,480 1.113,481 0.563,482 0.972,483 0.584,484 0.903,485 0.667,486 0.854,487 0.665,488 0.856,489 0.637,490 0.907,491 0.854,492 0.725,493 0.912,494 0.731,495 0.789,496 0.848,497 0.788,498 0.961,499 1.154,500 1.17,501 0.624,502 1.186,503 0.671,504 0.552,505 1.407,506 1.131,507 0.54,508 1.262,509 0.72,510 0.964,511 0.583,512 0.967,513 0.837,514 0.964,515 1.249,516 1.39,517 0.84,518 1.088,519 1.334,520 0.938,521 2.737,522 1.762,523 1.687,524 0.994,525 3.036,526 0.904,527 4,529 1.778,530 1.563,531 1.138,532 0.41,533 0.304,534 0.161,535 0.103,536 0.031,537 2104,538 8990,539 1.96,540 41.4,542 6,543 1,545 2,547 3,550 1.57,551 1.789,552 2.835,553 0.526,555 1,556 1,557 1,559 53.053,560 1.829,561 3.714,562 4.392,563 4.556,564 4.556,565 4.556,566 2.307,567 3.617,568 4.055,569 2.979,570 405.15,571 6.864,572 3610.22,574 1,576 1,577 140.881,578 1.549,579 3.989,580 0.222,582 0.071,583 0.063,584 0.052,585 0.027,586 0.028,587 0.016,588 0.017,589 0.008,590 0.504,591 1,592 1,593 1.453,594 69.755,595 -0.075,596 -0.125,597 -0.002,598 -0.017,599 -0.086,600 0.016,601 0.148,602 0.175,603 0.038,604 0.078,605 0.165,606 0.008,607 -0.074,608 0.147,609 -0.036,610 0.186,611 -0.083,612 0.087,613 -0.091,614 -0.165,615 -0.128,616 -0.213,617 -0.048,618 -0.236,619 0.068,620 0.174,621 -0.318,622 -0.208,623 0.062,624 -0.305,625 0.082,626 -0.169,627 0.217,628 -0.032,630 0.095,631 -0.064,632 -0.351,633 0.153,634 -0.079,635 -0.018,636 0.104,637 -0.59,638 -0.151,639 -0.299,640 0.11,641 -0.552,642 0.05,643 3.74,644 4.081,645 0.588,646 11.17,647 1.033,648 1.159,649 2.945,650 8.671,651 0.666,652 2.944,653 3.258,654 3.466,655 3.738,656 3.912,657 3.932,658 3.932,659 3.932,660 3.892,661 3.332,662 4.426,663 0.649,664 259.71,665 2.944,666 4.466,667 5.293,668 6.172,669 7.024,670 7.91,671 8.773,672 9.664,673 10.532,674 11.425,675 10.3,677 1,680 1,684 1,688 3,693 3,695 6,707 1,713 1,714 29,716 7,717 1,718 18,720 30,721 11,722 6,723 3,724 3,729 1,730 2,731 3,732 1,734 1,736 2,740 1,743 1,745 7,746 4,750 1,758 1,759 1,761 1,762 2,764 12,765 5,766 2,767 6,768 1,773 3,777 0.5,793 2,797 1,814 1,819 1,823 1,824 1,825 2,827 17,833 1,834 2,837 2,846 3,854 9.5,855 5.295,856 3.75,857 1.657,858 1.596,859 1.262,860 0.961,861 3.72,862 7.687,863 3.135,864 3.676,865 4.155,866 4.681,867 5.156,868 5.306,869 5.485,870 5.752,871 5.904,872 5.574,873 0.8,874 25,875 6.322,877 2.713,878 8.261,879 11.518,881 9.213,883 2.761,884 46.944,885 0.001,888 117.711,889 58.816,890 52.807,891 39.149,893 29.92,895 58.816,896 156.86,897 82.727,898 8.825,899 2.106,900 54.554,901 18.011,902 56.149,903 13.67,904 105.94,905 39.149,906 117.711,907 111.623,908 29.92,909 39.149,911 82.398,912 65.234,914 8.115,915 45.727,916 39.771,917 57.159,919 147.631,920 52.807,921 97.965,924 125.826,925 13.448,926 37.254,927 36.022,928 85.854,929 117.711,930 82.727,931 97.965,933 0.582,934 0.32,935 0.176,936 0.096,937 12,938 6,939 0.067,940 2,941 1,942 1.2,943 2.861,944 115,945 0.2,946 10,947 67.487,951 12.431,952 5.087,953 2.805,955 82.727,956 5.43,961 2.313,963 36.022,964 298.403,965 22,973 4.233,974 0.354,975 29.956,976 33.61,977 0.377,978 0.765,979 0.904,980 0.938,981 0.938,982 0.938,983 4.376,984 -0.172,985 5.293,986 1.312,987 3.932,988 4.357,989 2.222,990 6.098,991 3.764,992 5.569,993 -0.214,994 6.851,995 -0.446,996 3.611,997 4.182,998 0.623,999 7.024,1000 3.315,1001 6.867,1002 -0.585,1003 8.511,1004 -0.517,1005 5.509,1006 6.457,1007 2.744,1008 10.126,1009 5.223,1010 8.199,1011 -0.937,1012 10.23,1013 -1.509,1014 5.943,1015 7.058,1016 1.178,1017 11.907,1018 5.566,1019 9.562,1020 -1,1021 11.99,1022 -2,1023 7.381,1024 8.876,1025 3.418,1026 14.557,1027 7.006,1028 10.95,1029 -1.324,1030 13.781,1031 -2.549,1032 8.188,1033 9.87,1034 1.7,1035 16.707,1036 7.755,1037 12.358,1038 -1.458,1039 15.596,1040 -3.367,1041 9.443,1042 11.481,1043 4.155,1044 19.193,1045 8.994,1046 3.153,1047 -1.67,1048 17.43,1049 -3.837,1050 10.434,1051 12.677,1052 2.213,1053 21.49,1054 9.939,1055 2.441,1056 10.892,1057 19.279,1058 -4.839,1059 11.617,1060 14.187,1061 4.926,1062 23.915,1063 11.094,1064 2.139,1065 7.105,1066 21.141,1067 4.083,1068 12.694,1069 15.485,1070 2.722,1071 26.268,1072 12.128,1073 2.009,1074 5.849,1075 23.013,1076 3.071,1077 13.851,1078 16.945,1079 5.716,1080 28.67,1081 13.25,1082 1.758,1083 5.19,1084 24.892,1085 2.497,1086 14.967,1087 18.295,1088 3.229,1089 31.044,1090 14.322,1091 1.198,1092 4.76,1093 26.778,1094 2.264,1095 16.115,1096 19.729,1097 6.517,1098 33.438,1099 15.431,1100 0.577,1101 2.745,1102 28.668,1103 2.12,1104 17.248,1105 21.106,1106 3.735,1107 35.821,1108 16.519,1109 2213,1110 4634,1111 11.444,1112 19.318,1113 26.799,1114 27.184,1115 27.843,1116 26.716,1117 26.55,1118 32.372,1119 7.189,1120 75.705,1121 24.054,1122 5.366,1123 5.511,1124 6.271,1125 5.181,1126 5.153,1127 7.083,1128 3.02,1129 17.791,1130 5.007,1131 9.628,1132 1.489,1133 1.51,1134 1.547,1135 1.484,1136 1.475,1137 1.798,1138 0.399,1139 4.206,1140 1.336,1141 3.997,1142 4.034,1143 4.056,1144 3.915,1145 8.362,1146 3.916,1147 3.632,1148 3.7,1149 3.618,1150 3.402,1151 7.999,1152 3.425,1153 3.436,1154 3.504,1155 3.413,1156 3.245,1157 4.974,1158 3.249,1159 3.175,1160 3.263,1161 3.246,1162 2.943,1163 4.667,1164 2.954,1165 2.855,1166 2.912,1167 2.97,1168 2.714,1169 4.286,1170 2.694,1171 2.75,1172 2.832,1173 2.649,1174 2.546,1175 3.978,1176 2.555,1177 2.453,1178 2.545,1179 2.313,1180 2.085,1181 3.729,1182 2.121,1183 2.276,1184 2.419,1185 2.206,1186 1.93,1187 3.508,1188 1.917,1189 0.248,1190 0.195,1191 0.374,1192 0.228,1193 0.175,1194 4.465,1195 0.227,1196 3.511,1197 0.084,1198 6.734,1199 0.605,1200 4.109,1201 0.167,1202 3.153,1203 4.083,1204 1.51,1205 10.892,1206 3.007,1207 1.949,1208 1.922,1209 2.03,1210 2.064,1211 1.218,1212 2.058,1213 1.539,1214 1.471,1215 1.734,1216 1.796,1217 0.928,1218 1.779,1219 1.407,1220 1.336,1221 1.685,1222 1.619,1223 0.809,1224 1.644,1225 1.088,1226 1.011,1227 1.306,1228 1.391,1229 0.336,1230 1.374,1231 0.814,1232 0.763,1233 1.023,1234 1.027,1235 0.153,1236 1.024,1237 0.68,1238 0.615,1239 0.927,1240 0.955,1241 0.001,1242 0.973,1243 0.345,1244 0.232,1245 0.733,1246 0.679,1248 0.699,1249 0.241,1250 0.098,1251 0.654,1252 0.631,1254 0.66,1255 3.611,1257 4.92,1259 6.428,1261 8.043,1263 9.72,1265 1.871,1266 6.063,1267 24.161,1271 -0.422,1272 5.502,1275 -2.56,1280 18.819,1281 53.053,1282 107.72,1283 127.372,1284 132.127,1285 132.127,1286 132.127,1287 28.758,1288 6.091,1289 36.42,1290 36.42,1291 12,1292 11.957,1293 3,1294 2.322,1295 28.416,1296 47,1297 42,1298 0.332,1299 120.902,1300 213.03,1301 286.761,1302 2733,1303 10.3,1304 12.414,1305 0.73,1306 0.584,1307 11.336,1308 9.931,1309 8.075,1310 0.449,1311 0.312,1312 5.148,1313 7.357,1314 5.027,1315 4.114,1316 7.508,1317 5.607,1318 7.532,1319 0.301,1320 0.166,1321 6.72,1322 4.159,1323 5.586,1324 0.18,1325 0.09,1326 5.468,1327 2.8,1328 4.864,1329 0.119,1330 0.051,1331 5.106,1332 2.085,1333 3.666,1334 0.075,1335 0.024,1336 3.48,1337 1.198,1338 0.5,1339 54.63,1340 0.296,1341 16.955,1342 0.964,1343 86,1344 380.736,1345 115.853,1346 341.524,1347 433.78,1348 318,1349 99,1350 269.271,1351 121.555,1352 271.203,1353 403.91,1354 256,1355 5.842} {0 CHEMBL542124,1 1.33,2 16,3 5.062,4 25.621,5 127.332,6 6.671,7 0.353,8 4.184,9 4.314,10 3.662,11 3.781,12 5.181,13 3.722,14 4.765,15 4.954,16 3.981,17 4.201,18 5.665,19 4.104,20 5.116,21 5.362,22 4.013,23 4.379,24 5.93,25 4.231,26 5.196,27 5.479,28 3.872,29 4.323,30 5.964,31 4.14,32 5.11,33 5.406,34 3.819,35 4.19,36 5.918,37 4.024,38 4.95,39 5.21,40 3.744,41 4.103,42 5.849,43 3.955,44 4.941,45 5.22,46 3.668,47 4.097,48 5.744,49 3.924,50 4.888,51 5.162,52 3.616,53 4.079,54 5.613,55 3.899,56 0.057,57 0.86,58 13.885,59 6.072,60 10.892,61 8.473,62 0.202,63 1.465,64 25.795,65 10.467,66 22.093,67 14.945,68 0.253,69 1.948,70 37.631,71 14.847,72 38.892,73 21.392,74 0.295,75 2.014,76 41.492,77 15.862,78 43.893,79 23.106,80 0.32,81 1.804,82 38.635,83 14.169,84 49.813,85 20.611,86 0.304,87 1.587,88 32.685,89 11.794,90 52.323,91 16.947,92 0.307,93 1.566,94 32.231,95 12.345,96 44.661,97 17.765,98 0.196,99 1.466,100 30.147,101 12.327,102 30.832,103 17.633,104 6,105 45,106 0.213,107 0.538,108 0.737,109 0.836,110 0.858,111 0.858,112 3.471,113 1.012,114 -5.08,115 -4.97,116 -4.66,119 43.5,121 6,122 1,125 3,127 1,134 2,140 8,141 4,156 2,169 20,172 5,174 1,176 3,178 23,182 6,186 3,189 16,193 9,197 2,199 8,203 9,208 3,211 9,215 3,220 2,222 13,225 1,226 2,229 1,231 1,233 19,244 19,248 1,249 2,254 2,256 15,259 1779,260 21.403,261 21.403,262 21.403,263 21.403,264 21.403,265 19.575,266 21.31,267 12.916,268 21.549,269 16.764,270 16.764,271 16.764,272 16.764,273 16.764,274 13.877,275 26.751,276 6.153,277 16.996,278 4.624,279 2.601,280 1.367,281 0.746,282 0.613,283 0.613,284 4.173,288 1,289 1,290 1078,291 3.536,295 427.536,299 163.369,302 2.581,303 19.395,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64.5,315 496,316 4.311,317 4.058,318 6.218,319 3.955,320 2.967,321 3.946,322 2.035,323 9.369,324 2.935,325 3.983,326 3.475,327 5.566,328 3.695,329 2.71,330 3.527,331 1.058,332 7.614,333 2.669,334 3.81,335 3.215,336 5.379,337 3.545,338 2.545,339 3.04,340 0.916,341 7.079,342 2.545,343 3.77,344 2.701,345 5.339,346 3.41,347 2.444,348 2.982,349 0.172,350 6.968,351 2.368,352 3.557,353 2.593,354 5.228,355 3.312,356 2.319,357 2.606,359 6.634,360 2.294,361 3.319,362 2.503,363 5.105,364 3.06,365 2.085,366 2.331,368 6.151,369 2.03,370 3.083,371 2.252,372 4.737,373 2.919,374 1.924,375 2.159,377 5.274,378 1.895,379 2.941,380 2.157,381 4.419,382 2.614,383 1.618,384 2.06,386 4.384,387 1.612,388 2.926,389 1.909,390 3.625,391 2.482,392 1.48,393 2.004,395 3.124,396 1.482,397 2.902,398 1.523,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1,408 3.324,409 2,410 1,411 1.118,413 2.136,414 1,415 2.301,416 1,417 3.25,418 1.819,419 0.835,420 1,422 1.952,423 0.82,424 2,425 0.939,426 3.247,427 1.717,428 0.739,429 0.947,431 1.677,432 0.721,433 1.959,434 0.859,435 3.063,436 1.578,437 0.579,438 0.853,440 1.318,441 0.575,442 1.751,443 0.828,444 2.826,445 1.397,446 0.438,447 0.618,449 0.736,450 0.418,451 15.033,452 0.485,453 0.567,454 0.018,455 36.75,456 1.185,457 18,458 0.581,459 18.75,460 0.605,461 29.297,462 0.945,463 32.967,464 0.532,465 24.457,466 0.789,467 6.711,468 0.216,469 8.48,470 0.274,471 0.049,473 0.259,479 0.705,480 1.203,481 0.895,482 1.068,483 0.463,484 1.006,485 0.796,486 1.127,487 1.044,488 1.092,489 0.416,490 1.083,491 0.932,492 1.088,493 1.071,494 1.089,495 0.629,496 1.089,497 0.922,498 1.034,499 1.01,500 1.038,501 0.798,502 1.031,503 1.189,504 0.884,505 0.873,506 0.849,507 1.039,508 0.839,509 1.624,510 1.023,511 1.126,512 1.004,513 1.509,514 1.024,515 1.025,516 0.84,517 1.012,518 0.936,519 1.084,520 0.968,521 0.783,522 0.965,523 0.965,524 1.011,525 0.724,526 1.01,527 6,528 0.152,529 2.444,530 0.938,531 1.68,532 0.563,533 0.465,534 0.422,535 0.114,536 0.179,537 16524,538 36990,539 2.123,540 50,541 5,542 17,545 1,547 8,550 1.727,551 2.044,552 3.931,553 -0.457,559 82.443,560 1.33,561 3.353,562 4.588,563 5.208,564 5.341,565 5.341,566 3.429,567 4.543,568 4.923,569 4.121,570 1916.07,571 8.547,572 30256.1,574 1,577 369.16,578 1.14,579 4.91,580 0.176,581 0.007,582 0.054,583 0.021,584 0.047,585 0.016,586 0.015,587 0.014,588 0.004,589 0.007,590 0.361,591 0.33,592 1,593 0.575,594 167.707,595 0.006,596 -0.048,597 0.05,598 0.011,599 0.066,600 0.03,601 0.04,602 -0.027,603 -0.08,604 -0.066,605 0.083,606 -0.079,607 -0.068,608 -0.081,609 -0.099,610 -0.093,611 0.019,612 -0.097,613 -0.015,614 -0.083,615 -0.028,616 -0.067,617 -0.001,618 -0.051,619 0.002,620 0.046,621 0.133,622 0.104,623 0.016,624 0.126,625 -0.163,626 -0.038,627 -0.107,628 -0.047,629 -0.125,630 -0.069,631 0.006,632 0.122,633 -0.022,634 0.033,635 -0.052,636 0.007,637 -0.012,638 -0.037,639 -0.001,640 -0.008,641 -0.033,642 -0.006,643 1.654,644 5.217,645 0.71,646 40.529,647 0.984,648 1.121,649 3.846,650 14.793,651 0.663,652 3.555,653 3.829,654 4.043,655 4.248,656 4.5,657 4.454,658 4.554,659 4.654,660 4.718,661 4.718,662 9.085,663 0.615,664 413.61,665 3.555,666 5.069,667 5.889,668 6.732,669 7.566,670 8.412,671 9.251,672 10.099,673 10.942,674 11.791,675 4.8,678 1,682 1,684 1,688 8,693 4,695 12,697 1,714 62,716 15,717 2,718 34,720 65,721 27,722 12,723 4,724 8,725 3,730 4,731 5,740 6,741 1,743 7,744 1,745 15,746 11,747 1,750 2,755 1,757 2,759 1,764 31,765 4,766 1,767 4,773 3,777 0.75,778 1,793 4,797 1,805 1,810 2,815 1,819 3,827 31,833 9,834 1,837 2,838 1,840 1,843 1,845 1,847 1.6,850 1,854 15.167,855 10.817,856 6.944,857 4.079,858 2.663,859 1.341,860 0.974,861 7.307,862 10.461,863 3.807,864 4.263,865 4.745,866 5.179,867 5.677,868 5.733,869 5.962,870 6.063,871 6.215,872 6.094,873 0.909,874 44,875 11.506,877 4.834,878 7.581,879 22.783,881 19.259,883 2.081,884 64.5,887 1,888 353.133,889 150.335,890 52.194,892 25.145,895 150.335,896 378.278,897 52.194,899 39.535,900 94.762,901 46.451,902 46.926,904 353.133,906 353.133,907 202.53,908 25.145,911 258.964,912 119.314,915 73.719,916 109.859,917 18.952,919 353.133,920 77.339,921 150.335,924 353.133,925 38.971,926 97.887,927 34.612,928 56.204,929 353.133,930 77.339,931 150.335,933 0.568,934 0.322,935 0.168,936 0.097,937 20,938 8,939 0.092,940 6,941 1,942 1.091,943 4.547,944 257.294,945 0.091,946 22,947 142.825,951 21.503,952 10.535,953 6.138,955 77.339,956 16.048,961 4.534,963 18.011,964 580.808,965 44,970 12.217,972 3.522,974 0.013,975 61.003,976 69.517,977 0.223,978 0.563,979 0.77,980 0.875,981 0.897,982 0.897,983 5.037,984 1.618,985 5.832,986 5.274,987 4.511,988 4.949,989 2.567,990 6.547,991 4.485,992 6.189,993 1.48,994 7.326,995 4.384,996 3.892,997 4.443,998 0.325,999 7.209,1000 3.856,1001 7.448,1002 1,1003 8.909,1004 3.124,1005 6.019,1006 6.951,1007 3.657,1008 10.238,1009 5.965,1010 8.73,1011 1,1012 10.545,1013 2.275,1014 6.196,1015 7.275,1016 0.393,1017 11.701,1018 6.133,1019 10.043,1020 0.835,1021 12.214,1022 2.136,1023 7.753,1024 9.234,1025 4.987,1026 14.217,1027 7.675,1028 11.374,1029 0.739,1030 13.906,1031 1.952,1032 8.326,1033 9.98,1034 0.384,1035 16.052,1036 8.239,1037 12.723,1038 0.579,1039 15.614,1040 1.677,1041 9.62,1042 11.678,1043 6.384,1044 18.378,1045 9.52,1046 2.967,1047 0.438,1048 17.336,1049 1.318,1050 10.411,1051 12.667,1052 0.351,1053 20.406,1054 10.302,1055 2.71,1056 9.369,1057 19.068,1058 0.736,1059 11.576,1060 14.222,1061 7.799,1062 22.661,1063 11.455,1064 2.545,1065 7.614,1066 20.81,1067 3.946,1068 12.489,1069 15.358,1070 0.312,1071 24.788,1072 12.358,1073 2.444,1074 7.079,1075 22.56,1076 3.527,1077 13.593,1078 16.832,1079 9.218,1080 27.021,1081 13.452,1082 2.319,1083 6.968,1084 24.318,1085 3.04,1086 14.574,1087 18.056,1088 0.273,1089 29.2,1090 14.423,1091 2.085,1092 6.634,1093 26.083,1094 2.982,1095 15.651,1096 19.483,1097 10.638,1098 31.427,1099 15.49,1100 1.924,1101 6.151,1102 27.854,1103 2.606,1104 16.67,1105 20.762,1106 0.236,1107 33.633,1108 16.499,1109 15484,1110 23276,1111 23.345,1112 41.131,1113 51.403,1114 53.133,1115 50.071,1116 49.361,1117 49.363,1118 61.379,1119 8.364,1120 133.38,1121 48.731,1122 5.311,1123 6.058,1124 6.02,1125 4.992,1126 4.967,1127 6.946,1128 4.069,1129 15.799,1130 4.935,1131 10.964,1132 1.512,1133 1.563,1134 1.473,1135 1.452,1136 1.452,1137 1.805,1138 0.246,1139 3.923,1140 1.433,1141 4.028,1142 4.069,1143 3.96,1144 3.954,1145 7.43,1146 3.951,1147 3.936,1148 3.972,1149 3.863,1150 3.871,1151 6.82,1152 3.865,1153 3.881,1154 3.923,1155 3.769,1156 3.788,1157 4.782,1158 3.776,1159 3.626,1160 3.684,1161 3.534,1162 3.459,1163 4.689,1164 3.468,1165 3.532,1166 3.575,1167 3.445,1168 3.383,1169 4.35,1170 3.391,1171 3.333,1172 3.398,1173 3.198,1174 3.206,1175 4.184,1176 3.193,1177 3.155,1178 3.223,1179 3.037,1180 3.022,1181 4.113,1182 3.014,1183 3.111,1184 3.206,1185 2.944,1186 2.941,1187 3.845,1188 2.91,1189 0.127,1190 0.119,1191 0.183,1192 0.116,1193 0.087,1194 4.311,1195 0.116,1196 4.058,1197 0.06,1198 6.218,1199 0.276,1200 3.955,1201 0.086,1202 2.967,1203 3.946,1204 2.035,1205 9.369,1206 2.935,1207 1.991,1208 1.962,1209 2.13,1210 2.098,1211 1.531,1212 2.11,1213 1.926,1214 1.896,1215 2.083,1216 2.042,1217 1.36,1218 2.059,1219 1.896,1220 1.849,1221 2.038,1222 1.989,1223 1.106,1224 2.007,1225 1.591,1226 1.533,1227 1.793,1228 1.781,1229 1.083,1230 1.786,1231 1.491,1232 1.45,1233 1.664,1234 1.675,1235 0.868,1236 1.67,1237 1.349,1238 1.287,1239 1.601,1240 1.518,1241 0.825,1242 1.55,1243 1.16,1244 1.097,1245 1.513,1246 1.376,1247 0.729,1248 1.429,1249 1.153,1250 1.064,1251 1.429,1252 1.347,1253 0.631,1254 1.38,1255 4.234,1257 5.517,1259 6.993,1261 8.552,1263 10.154,1271 10.055,1272 3.176,1275 1.066,1276 2.552,1278 9.074,1279 2.243,1280 38.154,1281 82.443,1282 207.893,1283 284.431,1284 322.896,1285 331.16,1286 331.16,1287 53.144,1288 7.798,1289 56.13,1290 56.13,1291 24,1292 12.351,1293 4,1294 3.459,1295 50.012,1296 171,1297 156,1298 0.139,1299 235.295,1300 419.81,1301 565.88,1302 31835,1304 21.468,1305 0.693,1306 0.584,1307 21.468,1308 18.095,1309 15.191,1310 0.447,1311 0.337,1312 11.402,1313 14.908,1314 11.146,1315 9.231,1316 15.191,1317 11.473,1318 13.173,1319 0.293,1320 0.197,1321 13.173,1322 8.88,1323 10.885,1324 0.194,1325 0.12,1326 10.885,1327 6.7,1328 8.627,1329 0.125,1330 0.07,1331 8.627,1332 4.818,1333 7.353,1334 0.083,1335 0.042,1336 7.353,1337 3.74,1338 0.231,1339 93.098,1340 0.207,1341 30.383,1342 0.347,1343 158,1344 363.359,1345 165.044,1346 365.672,1347 496.56,1348 342,1349 180,1350 355.129,1351 186.823,1352 367.418,1353 525.55,1354 346,1355 6.5} {0 CHEMBL542139,1 1.828,2 10.897,3 4.494,4 20.198,5 120.702,6 8.864,7 0.5,8 4.047,9 4.139,10 3.927,11 3.675,12 5.069,13 3.608,14 4.61,15 4.76,16 4.313,17 4.095,18 5.832,19 4.004,20 4.822,21 4.99,22 4.428,23 4.253,24 5.892,25 4.133,26 4.885,27 5.048,28 4.32,29 4.264,30 5.989,31 4.126,32 4.939,33 5.127,34 4.344,35 4.195,36 6.104,37 4.074,38 4.891,39 5.088,40 4.21,41 4.108,42 6.004,43 3.977,44 4.807,45 5.032,46 4.126,47 4.009,48 5.965,49 3.861,50 4.708,51 4.935,52 3.919,53 3.905,54 5.76,55 3.765,56 0.113,57 0.77,58 11.361,59 5.233,60 15.967,61 5.763,62 0.465,63 1.273,64 24.9,65 9.47,66 56.247,67 10.169,68 0.486,69 1.541,70 32.92,71 12.039,72 35.716,73 13.284,74 0.356,75 1.607,76 40.455,77 14.736,78 36.841,79 15.548,80 0.677,81 1.57,82 40.438,83 13.378,84 80.202,85 14.297,86 0.736,87 1.495,88 41.706,89 12.813,90 71.035,91 13.961,92 0.818,93 1.4,94 38.81,95 12.236,96 91.497,97 14.103,98 0.528,99 1.246,100 38.542,101 11.759,102 70.143,103 12.819,104 27,105 47,106 0.305,107 0.624,108 0.766,109 0.842,110 0.842,111 0.842,112 3.409,113 1.117,114 -3.47,115 -3.45,116 -3.29,119 39.2,120 1,124 1,125 4,140 6,141 2,142 4,150 1,151 1,169 5,171 1,172 2,174 2,176 2,178 10,181 1,182 7,184 1,186 3,189 10,193 9,195 1,197 2,199 3,203 6,206 1,208 3,211 7,214 2,215 2,218 1,220 2,222 6,225 2,226 4,230 1,231 2,233 6,237 4,244 4,249 4,252 2,256 3,259 1263,260 19.342,261 19.342,262 19.342,263 19.342,264 19.342,265 17.145,266 23.254,267 11.143,268 20.149,269 15.73,270 15.73,271 15.73,272 15.73,273 15.73,274 12.236,275 28.263,276 5.22,277 17.055,278 3.844,279 1.928,280 1.079,281 0.618,282 0.618,283 0.618,284 4.1,285 1,288 1,289 1,290 686,291 3.536,294 64.561,295 272.796,298 125.933,302 1.57,303 34.932,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 62.833,315 316,316 4.94,317 4.713,318 7.441,319 4.396,320 3.491,321 4.864,322 0.86,323 13.079,324 3.151,325 4.451,326 3.296,327 6.525,328 4.001,329 3.05,330 4.318,331 0.8,332 10.276,333 2.9,334 4.329,335 3.128,336 6.487,337 3.892,338 2.938,339 3.944,340 0.4,341 10.051,342 2.786,343 3.653,344 2.74,345 5.437,346 3.284,347 2.344,348 3.074,350 6.91,351 2.199,352 3.55,353 2.614,354 5.239,355 3.127,356 2.223,357 2.853,359 6.266,360 1.992,361 3.316,362 2.423,363 5.105,364 3.001,365 2.074,366 2.622,368 5.982,369 1.902,370 3.283,371 1.994,372 4.954,373 2.767,374 1.842,375 2.435,377 5.573,378 1.621,379 2.866,380 1.879,381 4.633,382 2.494,383 1.559,384 2.011,386 4.304,387 1.454,388 2.743,389 1.478,390 4.102,391 2.28,392 1.363,393 1.793,395 3.599,396 1.229,397 2.227,398 1.218,399 3.591,400 1.967,401 1,402 1.192,404 2.479,405 0.965,406 2.187,407 1.146,408 3.48,409 1.955,410 1,411 1.058,413 2.136,414 0.953,415 2,416 1.077,417 3.247,418 1.667,419 0.762,420 1,422 1.903,423 0.666,424 1.781,425 0.954,426 3.239,427 1.505,428 0.632,429 0.703,431 1.144,432 0.545,433 1.172,434 0.578,435 2.906,436 0.846,437 -0.063,438 -0.074,440 -0.137,441 -0.052,442 1.147,443 0.21,444 2.712,445 0.687,446 -0.17,447 -0.212,449 -0.384,450 -0.132,451 14.581,452 0.503,453 0.872,454 0.03,455 37.25,456 1.284,457 18.5,458 0.638,459 18.75,460 0.647,461 27.165,462 0.937,463 31.619,464 0.62,465 28.268,466 0.975,467 6.999,468 0.241,469 6.887,470 0.237,471 0.163,472 0.057,473 0.302,479 0.635,480 1.296,481 0.702,482 1.057,483 0.655,484 0.89,485 0.873,486 0.927,487 0.689,488 0.699,489 0.543,490 0.746,491 0.939,492 0.952,493 0.934,494 0.95,495 0.875,496 0.911,497 0.946,498 1.278,499 1.22,500 1.374,501 0.881,502 1.161,503 1.417,504 0.991,505 0.861,506 0.878,507 1.592,508 0.941,509 1.273,510 1.021,511 0.969,512 0.966,513 1.399,514 1.031,515 0.673,516 0.898,517 0.874,518 0.977,519 0.789,520 0.93,521 1.169,522 0.883,523 1.019,524 1.005,525 1.517,526 0.848,527 7,528 0.147,529 4,530 2.882,531 2.268,532 1.018,533 0.967,534 0.474,535 0.313,536 0.286,537 10399,538 31188,539 2.061,540 43.1,541 3,542 17,545 2,550 1.722,551 1.902,552 3.414,553 0.296,555 1,559 93.238,560 1.828,561 3.745,562 4.594,563 5.055,564 5.055,565 5.055,566 2.843,567 4.349,568 4.832,569 3.556,570 1443.77,571 8.426,572 19126.5,574 1,577 289.294,578 1.636,579 4.769,580 0.219,581 0.006,582 0.085,583 0.059,584 0.048,585 0.024,586 0.025,587 0.014,588 0.01,589 0.01,590 0.501,591 0.33,592 1,593 0.772,594 146.023,595 0.044,596 -0.128,597 0.129,598 -0.043,599 -0.138,600 0.031,601 0.075,602 0.182,603 0.144,604 0.242,605 0.254,606 0.163,607 -0.032,608 0.128,609 0.048,610 0.07,611 -0.033,612 0.045,613 -0.052,614 -0.23,615 -0.16,616 -0.241,617 0.054,618 -0.162,619 -0.174,620 -0.013,621 0.037,622 0.072,623 -0.134,624 -0.003,625 -0.079,626 -0.041,627 -0.04,628 -0.028,629 -0.134,630 -0.09,631 0.313,632 0.081,633 0.1,634 0.015,635 0.244,636 0.061,637 -0.104,638 0.078,639 0.003,640 0.052,641 -0.12,642 0.163,643 4.649,644 6.13,645 0.724,646 25.781,647 1.012,648 1.119,649 2.239,650 5.011,651 0.709,652 3.497,653 3.871,654 4.159,655 4.454,656 4.682,657 4.736,658 4.86,659 4.956,660 4.905,661 4.927,662 6.424,663 0.66,664 452.04,665 3.497,666 5.069,667 5.938,668 6.847,669 7.736,670 8.649,671 9.547,672 10.462,673 11.364,674 12.28,675 5.9,677 1,680 1,681 1,687 2,688 6,692 1,693 6,695 16,709 1,712 1,713 1,714 51,716 18,717 2,718 32,720 54,721 20,722 14,723 6,724 6,730 4,731 5,732 1,736 1,745 14,746 6,750 2,753 1,755 2,761 1,764 22,765 6,766 2,767 9,768 3,773 3,777 0.75,778 3,792 1,793 3,796 1,814 1,819 3,821 2,823 2,824 1,827 29,830 1,833 4,834 2,835 1,838 1,842 1,846 1,847 5.9,850 2,852 1,854 15.25,855 9.676,856 6.264,857 2.918,858 3.115,859 1.408,860 1.014,861 6.046,862 10.76,863 3.761,864 4.44,865 5.016,866 5.641,867 6.19,868 6.523,869 6.878,870 7.238,871 7.274,872 7.439,873 1,874 49,875 11.013,877 4.995,878 7.8,879 20.658,881 17.465,883 2.3,884 66.694,887 1,888 235.422,889 142.836,890 37.54,891 39.149,892 55.313,894 37.085,895 105.75,896 329.884,897 37.54,898 19.708,899 8.423,900 80.676,901 60.718,902 34.14,903 0.746,904 266.7,905 39.149,906 235.422,907 143.29,908 55.313,909 76.234,911 235.422,912 55.313,915 35.259,916 91.627,917 61.361,918 31.278,919 235.422,920 92.853,921 181.984,923 5.807,924 235.422,925 60.462,926 79.69,927 34.416,928 94.461,929 235.422,930 92.853,931 181.984,933 0.592,934 0.352,935 0.195,936 0.11,937 24,938 11,939 0.093,940 5,941 1,942 1.095,943 3.928,944 264.972,945 0.095,946 21,947 134.881,948 1,950 1,951 20.878,952 8.398,953 4.251,954 1.752,955 92.853,956 10.782,960 1.246,961 3.71,963 34.416,964 510.259,965 42,968 -3.732,970 26.261,975 51.6,976 57.059,977 0.322,978 0.66,979 0.81,980 0.891,981 0.891,982 0.891,983 5.03,984 1.559,985 5.974,986 5.573,987 4.554,988 5.127,989 1.324,990 6.866,991 4.401,992 6.288,993 1.363,994 7.59,995 4.304,996 4.369,997 5.301,998 0.325,999 8.087,1000 4.113,1001 7.659,1002 1,1003 9.318,1004 3.599,1005 6.267,1006 7.508,1007 0.958,1008 11.172,1009 5.97,1010 9.073,1011 1,1012 11.114,1013 2.479,1014 6.889,1015 8.488,1016 0.268,1017 13.217,1018 6.476,1019 10.523,1020 0.762,1021 12.956,1022 2.136,1023 8.321,1024 10.253,1025 0.736,1026 15.906,1027 7.863,1028 11.999,1029 0.632,1030 14.829,1031 1.903,1032 9.287,1033 11.563,1034 0.188,1035 18.26,1036 8.711,1037 13.496,1038 -0.063,1039 16.725,1040 1.144,1041 10.563,1042 13.183,1043 0.57,1044 20.842,1045 9.925,1046 3.491,1047 -0.17,1048 18.641,1049 -0.137,1050 11.676,1051 14.631,1052 0.125,1053 23.316,1054 10.923,1055 3.05,1056 13.079,1057 20.57,1058 -0.384,1059 12.905,1060 16.204,1061 0.439,1062 25.872,1063 12.072,1064 2.938,1065 10.276,1066 22.512,1067 4.864,1068 14.081,1069 17.713,1070 0.082,1071 28.395,1072 13.136,1073 2.344,1074 10.051,1075 24.463,1076 4.318,1077 15.3,1078 19.272,1079 0.334,1080 30.95,1081 14.263,1082 2.223,1083 6.91,1084 26.422,1085 3.944,1086 16.504,1087 20.809,1088 0.054,1089 33.495,1090 15.357,1091 2.074,1092 6.266,1093 28.387,1094 3.074,1095 17.726,1096 22.367,1097 0.252,1098 36.053,1099 16.478,1100 1.842,1101 5.982,1102 30.358,1103 2.853,1104 18.945,1105 23.919,1106 0.035,1107 38.609,1108 17.587,1109 9917,1110 17411,1111 20.978,1112 36.148,1113 48.528,1114 50.329,1115 50.586,1116 48.704,1117 48.557,1118 63.734,1119 4.12,1120 147.402,1121 44.728,1122 5.94,1123 6.713,1124 7.243,1125 5.571,1126 5.491,1127 7.864,1128 1.72,1129 21.164,1130 5.151,1131 15.259,1132 1.516,1133 1.573,1134 1.581,1135 1.522,1136 1.517,1137 1.992,1138 0.129,1139 4.606,1140 1.398,1141 4.166,1142 4.148,1143 4.796,1144 4.212,1145 7.717,1146 4.122,1147 3.964,1148 3.996,1149 4.198,1150 3.88,1151 6.999,1152 3.873,1153 3.797,1154 3.816,1155 3.892,1156 3.729,1157 4.973,1158 3.646,1159 3.671,1160 3.681,1161 3.752,1162 3.512,1163 4.859,1164 3.51,1165 3.336,1166 3.381,1167 3.571,1168 3.248,1169 4.513,1170 3.198,1171 3.229,1172 3.289,1173 3.091,1174 2.985,1175 4.418,1176 2.965,1177 3.111,1178 3.206,1179 3.075,1180 2.955,1181 4.352,1182 2.91,1183 2.995,1184 3.086,1185 2.913,1186 2.941,1187 3.981,1188 2.894,1189 0.154,1190 0.147,1191 0.233,1192 0.137,1193 0.109,1194 4.94,1195 0.152,1196 4.713,1197 0.027,1198 7.441,1199 0.409,1200 4.396,1201 0.098,1202 3.491,1203 4.864,1204 0.86,1205 13.079,1206 3.151,1207 1.938,1208 1.928,1209 2.025,1210 2.067,1211 1.278,1212 2.068,1213 1.918,1214 1.904,1215 1.981,1216 1.969,1217 1.176,1218 1.988,1219 1.74,1220 1.763,1221 1.879,1222 1.902,1223 1.076,1224 1.927,1225 1.648,1226 1.594,1227 1.675,1228 1.747,1229 0.955,1230 1.797,1231 1.288,1232 1.257,1233 1.571,1234 1.53,1235 0.825,1236 1.555,1237 1.175,1238 1.107,1239 1.513,1240 1.443,1241 0.597,1242 1.488,1243 1.153,1244 1.064,1245 1.218,1246 1.376,1247 0.558,1248 1.429,1249 0.95,1250 0.953,1251 1.198,1252 1.223,1253 0.367,1254 1.227,1255 4.174,1257 5.533,1258 2.398,1259 7.089,1260 4.844,1261 8.732,1262 7.05,1263 10.42,1265 3.431,1266 6.082,1271 3.427,1272 6.051,1273 5.489,1276 2.194,1280 33.678,1281 93.238,1282 190.971,1283 234.274,1284 257.784,1285 257.784,1286 257.784,1287 58.319,1288 7.644,1289 70.67,1290 107.29,1291 23,1292 12.794,1293 4.248,1294 3.459,1295 44.649,1296 113,1297 105,1298 0.195,1299 215.518,1300 365.54,1301 517.625,1302 21697,1303 2,1304 20.596,1305 0.71,1306 0.64,1307 21.699,1308 18.548,1309 13.886,1310 0.434,1311 0.372,1312 9.335,1313 11.984,1314 8.833,1315 7.296,1316 15.404,1317 11.918,1318 13.146,1319 0.28,1320 0.218,1321 15.487,1322 10.25,1323 10.932,1324 0.174,1325 0.135,1326 13.455,1327 8.497,1328 9.38,1329 0.11,1330 0.077,1331 11.851,1332 6.504,1333 7.617,1334 0.071,1335 0.046,1336 10.102,1337 4.906,1338 0.304,1339 102.357,1340 0.218,1341 27.248,1342 0.544,1343 158,1344 473.442,1345 254.311,1346 525.493,1347 706.32,1348 486,1349 189,1350 453.198,1351 287.034,1352 522.668,1353 768.86,1354 488,1355 6.6} {0 CHEMBL542806,1 1.844,2 8.619,3 1.481,4 2.195,5 86.996,6 8.335,7 0.545,8 3.728,9 3.857,10 3.555,11 3.211,12 4.885,13 3.189,14 4.21,15 4.386,16 3.803,17 3.541,18 5.65,19 3.504,20 4.372,21 4.557,22 3.852,23 3.643,24 5.641,25 3.589,26 4.43,27 4.629,28 3.783,29 3.587,30 5.81,31 3.525,32 4.361,33 4.569,34 3.721,35 3.488,36 5.577,37 3.444,38 4.286,39 4.491,40 3.633,41 3.441,42 5.768,43 3.37,44 4.308,45 4.537,46 3.291,47 3.392,48 5.511,49 3.285,50 4.183,51 4.432,52 2.995,53 3.162,54 5.381,55 3.078,56 0.148,57 0.62,58 9.749,59 2.913,60 19.519,61 3.64,62 0.459,63 0.874,64 15.084,65 5.06,66 52.55,67 6.337,68 0.345,69 0.976,70 19.615,71 5.71,72 39.806,73 7.246,74 0.577,75 0.924,76 21.897,77 6.113,78 62.33,79 7.353,80 0.461,81 0.847,82 20.048,83 4.662,84 60.505,85 6.684,86 0.647,87 0.801,88 20.068,89 4.872,90 68.25,91 6.282,92 0.457,93 0.723,94 23.69,95 6.182,96 66.942,97 7.625,98 0.506,99 0.599,100 16.206,101 4.146,102 76.872,103 5.871,104 30,105 31,106 0.334,107 0.648,108 0.742,109 0.809,110 0.838,111 0.838,112 3.103,113 1.03,114 -2.67,115 -2.69,116 -2.62,119 32.4,124 2,140 5,142 2,145 2,148 1,161 1,162 1,163 1,169 2,171 2,172 2,174 6,176 4,178 2,180 2,182 4,186 4,189 2,191 2,192 2,193 6,195 2,196 3,197 3,203 2,211 2,214 2,215 2,217 2,218 6,219 1,221 1,222 2,226 2,231 4,237 2,239 1,240 1,242 5,246 1,259 547,260 13.729,261 13.729,262 13.729,263 13.729,264 13.729,265 11.994,266 21.849,267 7.935,268 14.214,269 10.727,270 10.727,271 10.727,272 10.727,273 10.727,274 7.946,275 33.814,276 3.628,277 11.48,278 3.366,279 1.631,280 1.111,281 0.744,282 0.581,283 0.581,284 3.756,287 1,288 1,289 1,290 369,291 3.391,295 148.71,302 1.351,303 29.618,305 1,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 47,315 181,316 4.857,317 4.686,318 7.308,319 4.312,320 3.394,321 4.707,322 0.4,323 12.509,324 3.088,325 4.179,326 2.924,327 5.786,328 3.713,329 2.788,330 3.826,331 0.4,332 8.283,333 2.579,334 3.835,335 2.491,336 5.204,337 3.382,338 2.402,339 3.392,341 6.416,342 2.35,343 3.355,344 2.269,345 4.989,346 2.98,347 2.061,348 2.604,350 5.852,351 1.891,352 3.318,353 2.229,354 4.969,355 2.918,356 1.994,357 2.573,359 5.818,360 1.837,361 3.046,362 1.614,363 4.585,364 2.529,365 1.547,366 2.245,368 4.513,369 1.515,370 2.5,371 1,372 3.414,373 2,374 1,375 1.5,377 2.275,378 1,379 1.593,380 0.788,381 3.208,382 1.385,383 0.484,384 0.523,386 0.685,387 0.436,388 1.576,389 0.642,390 2.842,391 1.314,392 0.396,393 0.452,395 0.602,396 0.363,397 1.194,398 0.458,399 2.779,400 0.849,401 -0.086,402 -0.104,404 -0.243,405 -0.08,406 1.119,407 -0.057,408 2.644,409 0.697,410 -0.253,411 -0.329,413 -0.612,414 -0.238,415 1,416 -0.488,417 2.137,418 0.229,419 -0.694,420 -0.878,422 -1.599,423 -0.639,424 0.65,425 -0.542,426 2,427 0.06,428 -0.883,429 -1.108,431 -2.3,432 -0.828,433 0.5,434 -0.753,435 2,437 -1,438 -1.5,440 -3,441 -1,442 0.488,443 -1,444 1.742,446 -1,447 -1.527,449 -3,450 -1,451 9.9,452 0.471,453 0.645,454 0.031,455 31,456 1.476,457 17,458 0.81,459 14,460 0.667,461 12.596,462 0.6,463 23.7,464 0.641,465 22.933,466 1.092,467 6.191,468 0.295,469 3.75,470 0.179,471 0.209,472 0.084,473 0.253,479 0.77,480 1.573,481 0.865,482 1.31,483 0.821,484 0.949,485 0.583,486 0.908,487 0.814,488 0.892,489 0.538,490 0.842,491 1.14,492 1.372,493 1.065,494 1.187,495 1.041,496 1.016,497 1.238,498 0.915,499 1.217,500 1.103,501 1.3,502 1.045,503 1.411,504 1.194,505 0.919,506 1.029,507 1.493,508 0.963,509 0.857,510 0.861,511 1.354,512 1.102,513 0.741,514 1.041,515 1.367,516 1.048,517 1.4,518 1.262,519 1.48,520 1.049,521 1.624,522 0.791,523 0.888,524 0.622,525 1.827,526 0.933,527 6.5,528 0.07,529 2.444,530 1.938,531 1.276,532 0.972,533 0.447,534 0.236,535 0.106,536 0.121,537 3826,538 12666,539 1.93,540 43.2,542 11,545 5,550 1.634,551 1.762,552 3.104,553 2.939,554 1,555 1,557 1,559 68.22,560 1.844,561 3.579,562 4.098,563 4.466,564 4.628,565 4.628,566 2.547,567 3.63,568 4.364,569 3.228,570 677.83,571 7.491,572 7161.01,573 1,574 1,576 1,577 192.75,578 1.705,579 4.283,580 0.295,581 0.014,582 0.079,583 0.063,584 0.046,585 0.039,586 0.019,587 0.012,588 0.008,589 0.013,590 0.587,591 0.17,592 1,593 1.025,594 94.33,595 -0.051,596 -0.239,597 0.205,598 -0.076,599 -0.247,600 0.044,601 0.356,602 0.247,603 0.13,604 0.135,605 0.316,606 0.107,607 -0.191,608 -0.267,609 -0.014,610 -0.086,611 -0.085,612 -0.038,613 -0.045,614 0.135,615 -0.138,616 -0.062,617 -0.042,618 -0.117,619 -0.236,620 -0.225,621 0.061,622 -0.059,623 -0.228,624 -0.016,625 0.28,626 0.234,627 -0.212,628 -0.045,629 0.317,630 -0.133,631 -0.238,632 -0.15,633 -0.232,634 -0.128,635 -0.145,636 -0.015,637 -0.356,638 -0.003,639 -0.134,640 0.122,641 -0.349,642 -0.005,643 4.648,644 5.259,645 0.571,646 15.102,647 1.021,648 1.146,649 1.444,650 2.086,651 0.659,652 3.135,653 3.466,654 3.638,655 3.829,656 4.007,657 4.043,658 3.932,659 3.829,660 3.761,661 3.714,662 5.192,663 0.632,664 308.41,665 3.135,666 4.673,667 5.493,668 6.372,669 7.213,670 8.097,671 8.944,672 9.83,673 10.68,674 11.568,675 16.2,679 1,680 3,685 2,688 5,689 2,693 5,695 12,705 1,707 2,714 37,716 14,717 1,718 22,720 38,721 12,722 10,723 2,724 4,730 2,731 2,745 10,746 2,750 2,753 1,755 2,760 1,761 1,764 16,765 8,766 5,767 9,768 1,773 6,777 1,778 2,787 1,793 2,819 2,821 1,823 2,827 21,828 1,830 1,834 3,847 5.4,850 2,854 11.917,855 6.9,856 4.708,857 1.832,858 2.145,859 1.342,860 0.98,861 4.623,862 8.415,863 3.434,864 4.078,865 4.533,866 5.051,867 5.533,868 5.716,869 5.759,870 5.809,871 5.968,872 6.219,873 0.833,874 31,875 7.939,877 3.525,878 8.107,879 14.175,881 11.086,883 2.607,884 54.75,888 129.482,889 80.844,890 118.895,892 44.313,894 5.807,895 75.036,896 173.795,897 118.895,898 16.793,900 86.086,901 130.311,902 4.307,903 6.555,904 129.482,906 129.482,907 193.931,908 44.313,909 5.807,911 129.482,912 44.313,915 1.899,916 106.035,917 91.805,919 129.482,920 163.208,921 80.844,923 5.807,924 129.482,925 10.862,926 64.174,927 52.426,928 110.781,929 129.482,930 163.208,931 80.844,933 0.583,934 0.331,935 0.165,936 0.094,937 14,938 7,939 0.132,940 5,942 1,943 3.197,944 153.789,946 12,947 86.239,950 1,951 15.505,952 6.261,953 3.816,955 163.208,956 7.391,957 8.151,961 1.551,963 85.324,964 373.534,965 30,968 -3.731,970 24.518,975 37.76,976 42.405,977 0.354,978 0.687,979 0.787,980 0.857,981 0.888,982 0.888,983 4.663,984 0.484,985 5.533,986 2.275,987 4.143,988 4.762,989 0.495,990 6.375,991 4.011,992 5.926,993 0.396,994 7.127,995 0.685,996 4.007,997 4.945,999 7.636,1000 3.768,1001 7.293,1002 -0.086,1003 8.835,1004 0.602,1005 5.838,1006 7.118,1007 0.097,1008 10.616,1009 5.544,1010 8.702,1011 -0.253,1012 10.615,1013 -0.243,1014 6.463,1015 8.058,1017 12.7,1018 6.04,1019 10.145,1020 -0.694,1021 12.444,1022 -0.612,1023 7.864,1024 9.811,1025 0.016,1026 15.34,1027 7.384,1028 11.613,1029 -0.883,1030 14.311,1031 -1.599,1032 8.821,1033 11.079,1035 17.722,1036 8.21,1037 13.1,1038 -1,1039 16.206,1040 -2.3,1041 10.081,1042 12.691,1043 0.003,1044 20.277,1045 9.4,1046 3.394,1047 -1,1048 18.124,1049 -3,1050 11.184,1051 14.106,1053 22.756,1054 10.38,1055 2.788,1056 12.509,1057 20.059,1058 -3,1059 12.402,1060 15.668,1062 25.289,1063 11.515,1064 2.402,1065 8.283,1066 22.007,1067 4.707,1068 13.567,1069 17.151,1071 27.8,1072 12.568,1073 2.061,1074 6.416,1075 23.965,1076 3.826,1077 14.776,1078 18.697,1080 30.327,1081 13.686,1082 1.994,1083 5.852,1084 25.93,1085 3.392,1086 15.969,1087 20.212,1089 32.848,1090 14.773,1091 1.547,1092 5.818,1093 27.902,1094 2.604,1095 17.179,1096 21.754,1098 35.375,1099 15.888,1100 1,1101 4.513,1102 29.877,1103 2.573,1104 18.384,1105 23.285,1107 37.899,1108 16.992,1109 3955,1110 7352,1111 13.811,1112 24.398,1113 31.97,1114 33.34,1115 33.883,1116 32.131,1117 32.133,1118 43.645,1119 1.6,1120 93.905,1121 30.119,1122 5.687,1123 6.686,1124 6.861,1125 5.389,1126 5.394,1127 7.707,1128 0.8,1129 19.86,1130 5.088,1131 12.414,1132 1.453,1133 1.515,1134 1.54,1135 1.46,1136 1.461,1137 1.984,1138 0.073,1139 4.268,1140 1.369,1141 4.085,1142 4.074,1143 4.736,1144 4.063,1145 7.717,1146 3.977,1147 3.85,1148 3.905,1149 3.819,1150 3.68,1151 6.999,1152 3.705,1153 3.624,1154 3.622,1155 3.712,1156 3.515,1157 5.109,1158 3.45,1159 3.378,1160 3.489,1161 3.205,1162 3.1,1163 5,1164 3.109,1165 3.209,1166 3.304,1167 3.029,1168 2.961,1169 4.443,1170 2.954,1171 2.908,1172 3.022,1173 2.761,1174 2.735,1175 4.299,1176 2.715,1177 2.854,1178 2.925,1179 2.687,1180 2.628,1181 4.166,1182 2.636,1183 2.673,1184 2.757,1185 2.557,1186 2.446,1187 3.829,1188 2.447,1189 0.221,1190 0.213,1191 0.332,1192 0.196,1193 0.154,1194 4.857,1195 0.214,1196 4.686,1197 0.018,1198 7.308,1199 0.569,1200 4.312,1201 0.14,1202 3.394,1203 4.707,1204 0.4,1205 12.509,1206 3.088,1207 1.961,1208 1.968,1209 1.985,1210 2.054,1211 1.16,1212 2.077,1213 1.767,1214 1.716,1215 1.859,1216 1.965,1217 0.871,1218 1.945,1219 1.439,1220 1.457,1221 1.67,1222 1.648,1223 0.681,1224 1.676,1225 1.334,1226 1.226,1227 1.555,1228 1.646,1229 0.633,1230 1.661,1231 1.18,1232 1.085,1233 1.264,1234 1.439,1235 0.476,1236 1.468,1237 0.886,1238 0.821,1239 1.181,1240 1.191,1241 0.218,1242 1.196,1243 0.816,1244 0.721,1245 1.016,1246 1.062,1248 1.107,1249 0.627,1250 0.544,1251 0.895,1252 0.9,1254 0.916,1255 3.807,1257 5.13,1259 6.648,1261 8.249,1263 9.894,1265 3.326,1269 5.546,1272 7.998,1280 23.379,1281 68.22,1282 132.411,1283 151.63,1284 165.24,1285 171.24,1286 171.24,1287 43.995,1288 6.269,1289 122.03,1290 130.41,1291 12,1292 12.106,1293 3.907,1294 3.17,1295 39.17,1296 65,1297 66,1298 0.303,1299 153.417,1300 255.89,1301 366.096,1302 3465,1304 15.458,1305 0.736,1306 0.59,1307 15.708,1308 12.4,1309 9.941,1310 0.452,1311 0.343,1312 6.071,1313 8.682,1314 5.758,1315 4.874,1316 10.762,1317 7.557,1318 9.271,1319 0.299,1320 0.188,1321 10.572,1322 5.819,1323 7.091,1324 0.192,1325 0.108,1326 8.195,1327 4.006,1328 5.488,1329 0.122,1330 0.057,1331 6.501,1332 2.575,1333 4.25,1334 0.079,1335 0.033,1336 5.127,1337 1.783,1338 0.464,1339 71.459,1340 0.269,1341 20.642,1342 0.861,1343 106,1344 363.933,1345 157.096,1346 374.519,1347 502.87,1348 342,1349 121,1350 344.399,1351 179.834,1352 385.151,1353 554.76,1354 358,1355 5} {0 CHEMBL544269,1 1.433,2 16.656,3 5.267,4 27.743,5 127.548,6 6.961,7 0.343,8 4.192,9 4.319,10 3.7,11 3.78,12 5.236,13 3.732,14 4.773,15 4.958,16 4.036,17 4.2,18 5.751,19 4.117,20 5.128,21 5.369,22 4.07,23 4.377,24 6.033,25 4.245,26 5.204,27 5.483,28 3.908,29 4.322,30 6.026,31 4.149,32 5.113,33 5.408,34 3.851,35 4.189,36 5.952,37 4.031,38 4.957,39 5.214,40 3.782,41 4.102,42 5.906,43 3.964,44 4.948,45 5.224,46 3.709,47 4.095,48 5.792,49 3.934,50 4.897,51 5.167,52 3.712,53 4.078,54 5.828,55 3.91,56 0.036,57 0.933,58 13.321,59 6.108,60 10.011,61 8.201,62 0.181,63 1.57,64 25.392,65 10.52,66 25.415,67 14.535,68 0.292,69 2.073,70 38.299,71 14.918,72 55.908,73 20.852,74 0.345,75 2.064,76 42.593,77 15.893,78 62.082,79 22.825,80 0.343,81 1.794,82 39.474,83 14.159,84 62.941,85 20.604,86 0.336,87 1.625,88 33.192,89 11.817,90 67.844,91 16.699,92 0.343,93 1.6,94 32.96,95 12.369,96 56.03,97 17.562,98 0.411,99 1.527,100 31.077,101 12.329,102 75.199,103 17.606,104 11,105 47,106 0.23,107 0.562,108 0.755,109 0.843,110 0.858,111 0.858,112 3.501,113 0.992,114 -5.44,115 -5.32,116 -4.97,119 43.5,121 6,122 1,125 3,127 1,134 2,140 7,141 4,142 1,156 2,169 18,172 5,174 1,176 3,178 21,182 6,186 3,189 15,193 9,197 2,199 7,203 9,208 3,211 8,215 3,220 2,222 13,225 1,226 1,229 1,233 19,244 19,248 1,249 2,254 2,256 13,259 1938,260 21.85,261 21.85,262 21.85,263 21.85,264 21.85,265 19.998,266 22.937,267 13.002,268 22.059,269 17.23,270 17.23,271 17.23,272 17.23,273 17.23,274 14.282,275 27.413,276 6.188,277 17.587,278 4.522,279 2.455,280 1.252,281 0.702,282 0.613,283 0.613,284 4.201,288 1,289 1,290 1155,291 3.606,295 446.169,299 171.457,302 2.74,303 29.057,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 68,315 533,316 4.311,317 4.058,318 6.218,319 3.955,320 2.967,321 3.946,322 2.035,323 9.369,324 2.935,325 4.054,326 3.475,327 5.567,328 3.698,329 2.713,330 3.659,331 1.058,332 7.615,333 2.672,334 3.817,335 3.215,336 5.423,337 3.605,338 2.62,339 3.053,340 0.916,341 7.186,342 2.583,343 3.803,344 2.915,345 5.359,346 3.425,347 2.458,348 3.039,349 0.172,350 7.028,351 2.384,352 3.589,353 2.701,354 5.235,355 3.327,356 2.34,357 2.722,359 6.651,360 2.301,361 3.42,362 2.592,363 5.107,364 3.096,365 2.128,366 2.573,368 6.154,369 2.054,370 3.304,371 2.355,372 4.904,373 3.013,374 2.056,375 2.318,377 5.736,378 1.948,379 3.048,380 2.251,381 4.717,382 2.883,383 1.887,384 2.062,386 5.214,387 1.858,388 2.935,389 2.156,390 4.419,391 2.614,392 1.618,393 2.042,395 4.384,396 1.612,397 2.906,398 1.909,399 3.414,400 2,401 1,402 1.5,404 2.275,405 1,406 2.5,407 1.009,408 3.414,409 2,410 1,411 1.118,413 2.275,414 1,415 2.375,416 1,417 3.329,418 1.823,419 0.84,420 1.048,422 1.962,423 0.824,424 2,425 1,426 3.26,427 1.726,428 0.746,429 1,431 1.704,432 0.729,433 1.959,434 0.927,435 3.142,436 1.65,437 0.66,438 0.869,440 1.495,441 0.648,442 1.752,443 0.84,444 2.83,445 1.399,446 0.442,447 0.622,449 0.741,450 0.421,451 15.319,452 0.479,453 0.673,454 0.021,455 37.5,456 1.172,457 18,458 0.563,459 19.5,460 0.609,461 30.578,462 0.956,463 34.481,464 0.556,465 26.057,466 0.814,467 6.915,468 0.216,469 8.67,470 0.271,471 0.067,473 0.287,477 1,479 0.589,480 1.106,481 0.831,482 1.067,483 0.46,484 0.997,485 0.66,486 1.058,487 0.97,488 1.092,489 0.426,490 1.073,491 0.861,492 1.027,493 1.055,494 1.087,495 0.67,496 1.094,497 0.759,498 0.924,499 1,500 1.034,501 0.703,502 1.045,503 0.738,504 0.765,505 0.82,506 0.846,507 0.692,508 0.843,509 1.111,510 0.915,511 1.09,512 1,513 1.09,514 1.033,515 0.775,516 0.766,517 0.982,518 0.933,519 0.849,520 0.976,521 0.396,522 0.822,523 0.876,524 1.006,525 0.424,526 1.014,527 7,528 0.185,529 2.889,530 1,531 1.871,532 0.618,533 0.504,534 0.484,535 0.131,536 0.219,537 18029,538 46067,539 2.101,540 48.4,541 5,542 16,545 1,547 8,550 1.735,551 2,552 3.985,553 -0.434,559 88.817,560 1.433,561 3.499,562 4.702,563 5.252,564 5.341,565 5.341,566 3.531,567 4.601,568 4.969,569 4.171,570 2068.7,571 8.637,572 33659.5,577 369.16,578 1.259,579 4.947,580 0.2,581 0.007,582 0.061,583 0.022,584 0.051,585 0.017,586 0.015,587 0.016,588 0.004,589 0.008,590 0.402,591 0.33,592 0.88,593 0.633,594 175.177,595 -0.008,596 -0.041,597 0.043,598 0.011,599 0.036,600 0.03,601 0.021,602 -0.049,603 -0.057,604 -0.068,605 0.084,606 -0.071,607 -0.063,608 -0.071,609 -0.102,610 -0.093,611 0.014,612 -0.1,613 -0.023,614 -0.067,615 -0.034,616 -0.067,617 -0.01,618 -0.054,619 0.018,620 0.009,621 0.158,622 0.101,623 0.035,624 0.141,625 -0.115,626 -0.042,627 -0.103,628 -0.047,629 -0.084,630 -0.069,631 -0.004,632 0.087,633 -0.015,634 0.032,635 -0.045,636 0.011,637 0.254,638 0.014,639 0.071,640 -0.007,641 0.192,642 0.001,643 1.942,644 5.21,645 0.688,646 43.258,647 0.992,648 1.127,649 4.214,650 17.755,651 0.662,652 3.584,653 3.871,654 4.078,655 4.277,656 4.543,657 4.5,658 4.575,659 4.691,660 4.736,661 4.754,662 9.387,663 0.622,664 431.6,665 3.584,666 5.106,667 5.927,668 6.774,669 7.609,670 8.457,671 9.298,672 10.147,673 10.992,674 11.841,675 4.8,678 1,682 1,684 1,688 7,693 5,695 12,697 1,713 1,714 62,716 15,717 2,718 35,720 65,721 27,722 12,723 5,724 7,725 3,730 4,731 5,740 6,741 1,743 7,744 1,745 15,746 11,747 1,750 2,755 1,757 2,759 1,762 1,764 30,765 5,766 1,767 5,773 3,777 0.75,778 1,793 4,797 1,805 1,810 2,815 1,819 3,825 1,827 32,833 9,834 1,837 2,838 1,840 1,843 1,845 1,846 1,847 1.6,850 1,854 16,855 10.876,856 7.111,857 4.059,858 2.71,859 1.344,860 0.975,861 7.48,862 10.592,863 3.829,864 4.304,865 4.783,866 5.216,867 5.733,868 5.822,869 5.997,870 6.153,871 6.242,872 6.153,873 1,874 46,875 11.893,877 5.058,878 7.755,879 23.204,881 19.629,883 2.255,884 72.167,888 341.362,889 149.98,890 52.194,892 25.145,893 14.96,895 149.98,896 366.507,897 67.155,899 39.535,900 85.286,901 46.451,902 56.047,903 14.96,904 341.362,906 341.362,907 202.175,908 40.105,911 262.153,912 119.314,915 73.719,916 109.503,917 18.952,919 356.322,920 77.339,921 149.98,924 341.362,925 48.092,926 88.411,927 34.612,928 71.164,929 341.362,930 92.299,931 149.98,933 0.574,934 0.323,935 0.164,936 0.098,937 21,938 9,939 0.092,940 6,941 1,942 1.091,943 4.609,944 268.553,945 0.091,946 22,947 152,951 22.403,952 10.685,953 6.365,955 92.299,956 12.185,961 3.978,963 18.011,964 583.642,965 45,970 12.21,972 3.255,974 -0.079,975 61.516,976 69.857,977 0.241,978 0.588,979 0.79,980 0.882,981 0.897,982 0.897,983 5.069,984 1.887,985 5.883,986 5.736,987 4.554,988 4.99,989 2.567,990 6.605,991 4.516,992 6.233,993 1.618,994 7.386,995 5.214,996 4.007,997 4.59,998 0.325,999 7.286,1000 3.941,1001 7.501,1002 1,1003 8.975,1004 4.384,1005 6.075,1006 7.018,1007 3.657,1008 10.295,1009 6.003,1010 8.793,1011 1,1012 10.613,1013 2.275,1014 6.293,1015 7.416,1016 0.393,1017 11.749,1018 6.198,1019 10.112,1020 0.84,1021 12.281,1022 2.275,1023 7.815,1024 9.318,1025 4.987,1026 14.26,1027 7.714,1028 11.449,1029 0.746,1030 13.97,1031 1.962,1032 8.408,1033 10.114,1034 0.384,1035 16.083,1036 8.289,1037 12.801,1038 0.66,1039 15.675,1040 1.704,1041 9.682,1042 11.775,1043 6.384,1044 18.407,1045 9.557,1046 2.967,1047 0.442,1048 17.392,1049 1.495,1050 10.481,1051 12.796,1052 0.351,1053 20.426,1054 10.343,1055 2.713,1056 9.369,1057 19.12,1058 0.741,1059 11.636,1060 14.327,1061 7.799,1062 22.679,1063 11.49,1064 2.62,1065 7.615,1066 20.858,1067 3.946,1068 12.551,1069 15.482,1070 0.312,1071 24.802,1072 12.394,1073 2.458,1074 7.186,1075 22.603,1076 3.659,1077 13.649,1078 16.941,1079 9.218,1080 27.033,1081 13.484,1082 2.34,1083 7.028,1084 24.357,1085 3.053,1086 14.629,1087 18.177,1088 0.273,1089 29.208,1090 14.454,1091 2.128,1092 6.651,1093 26.118,1094 3.039,1095 15.702,1096 19.593,1097 10.638,1098 31.435,1099 15.519,1100 2.056,1101 6.154,1102 27.885,1103 2.722,1104 16.72,1105 20.878,1106 0.236,1107 33.639,1108 16.527,1109 16961,1110 27282,1111 23.75,1112 41.069,1113 52.97,1114 54.915,1115 52.104,1116 51.035,1117 50.975,1118 63.168,1119 8.364,1120 139.638,1121 49.964,1122 5.311,1123 6.058,1124 5.766,1125 4.992,1126 4.967,1127 6.946,1128 4.069,1129 15.799,1130 4.935,1131 13.923,1132 1.513,1133 1.569,1134 1.489,1135 1.458,1136 1.456,1137 1.805,1138 0.239,1139 3.99,1140 1.428,1141 4.029,1142 4.069,1143 3.961,1144 3.954,1145 8.201,1146 3.951,1147 3.941,1148 3.975,1149 3.883,1150 3.87,1151 7.43,1152 3.868,1153 3.885,1154 3.928,1155 3.775,1156 3.788,1157 6.82,1158 3.777,1159 3.627,1160 3.685,1161 3.54,1162 3.459,1163 4.702,1164 3.469,1165 3.536,1166 3.578,1167 3.453,1168 3.383,1169 4.674,1170 3.393,1171 3.336,1172 3.399,1173 3.205,1174 3.206,1175 4.345,1176 3.194,1177 3.155,1178 3.223,1179 3.042,1180 3.022,1181 4.158,1182 3.014,1183 3.111,1184 3.206,1185 2.973,1186 2.941,1187 4.072,1188 2.91,1189 0.123,1190 0.116,1191 0.178,1192 0.113,1193 0.085,1194 4.311,1195 0.113,1196 4.058,1197 0.058,1198 6.218,1199 0.268,1200 3.955,1201 0.084,1202 2.967,1203 3.946,1204 2.035,1205 9.369,1206 2.935,1207 1.991,1208 1.962,1209 2.13,1210 2.098,1211 1.531,1212 2.11,1213 1.921,1214 1.893,1215 2.083,1216 2.043,1217 1.36,1218 2.059,1219 1.894,1220 1.848,1221 2.014,1222 1.99,1223 1.098,1224 2,1225 1.59,1226 1.532,1227 1.792,1228 1.781,1229 1.08,1230 1.786,1231 1.487,1232 1.448,1233 1.658,1234 1.675,1235 0.868,1236 1.667,1237 1.347,1238 1.286,1239 1.591,1240 1.518,1241 0.825,1242 1.548,1243 1.16,1244 1.097,1245 1.513,1246 1.376,1247 0.728,1248 1.429,1249 1.153,1250 1.064,1251 1.428,1252 1.347,1253 0.618,1254 1.38,1255 4.263,1257 5.557,1259 7.038,1261 8.601,1263 10.206,1267 12.956,1271 9.75,1272 3.114,1275 0.966,1276 2.53,1278 9.071,1279 2.232,1280 38.537,1281 88.817,1282 216.931,1283 291.535,1284 325.65,1285 331.16,1286 331.16,1287 63.743,1288 7.882,1289 56.13,1290 56.13,1291 24,1292 12.4,1293 4,1294 3.459,1295 52.496,1296 183,1297 174,1298 0.136,1299 236.493,1300 425.88,1301 568.804,1302 35570,1303 1.6,1304 22.338,1305 0.698,1306 0.575,1307 21.468,1308 18.395,1309 15.585,1310 0.445,1311 0.331,1312 11.476,1313 15.184,1314 11.24,1315 9.28,1316 15.191,1317 11.573,1318 13.795,1319 0.294,1320 0.192,1321 13.173,1322 9.021,1323 11.296,1324 0.195,1325 0.117,1326 10.885,1327 6.771,1328 8.769,1329 0.124,1330 0.068,1331 8.627,1332 4.828,1333 7.637,1334 0.082,1335 0.041,1336 7.353,1337 3.77,1338 0.227,1339 96.327,1340 0.205,1341 31.217,1342 0.34,1343 164,1344 457.47,1345 174.874,1346 427.764,1347 567.91,1348 398,1349 187,1350 398.463,1351 196.734,1352 403.929,1353 578.81,1354 380,1355 6.2} {0 CHEMBL545461,1 1.748,2 12.731,3 4.492,4 20.181,5 105.082,6 9.077,7 0.571,8 3.876,9 3.996,10 3.591,11 3.447,12 5.094,13 3.432,14 4.324,15 4.473,16 3.959,17 3.827,18 5.524,19 3.781,20 4.559,21 4.744,22 4.095,23 3.921,24 5.748,25 3.836,26 4.552,27 4.778,28 3.759,29 3.772,30 5.613,31 3.665,32 4.476,33 4.738,34 3.597,35 3.573,36 5.542,37 3.475,38 4.307,39 4.539,40 3.558,41 3.449,42 5.479,43 3.377,44 4.188,45 4.411,46 3.544,47 3.395,48 5.398,49 3.337,50 4.218,51 4.458,52 3.518,53 3.405,54 5.348,55 3.329,56 0.133,57 0.647,58 6.558,59 3.332,60 14.602,61 3.973,62 0.208,63 0.967,64 11.946,65 5.754,66 20.231,67 7.183,68 0.421,69 1.106,70 24.781,71 7.593,72 43.96,73 9.279,74 0.37,75 1.072,76 23.365,77 7.581,78 40.247,79 9.807,80 0.445,81 0.963,82 24.703,83 6.798,84 46.532,85 9.066,86 0.438,87 0.817,88 21.687,89 5.466,90 47.181,91 6.917,92 0.352,93 0.792,94 15.856,95 4.472,96 33.084,97 5.875,98 0.337,99 0.776,100 15.802,101 4.734,102 35.947,103 6.244,104 17,105 38,106 0.302,107 0.699,108 0.836,109 0.906,110 0.914,111 0.914,112 3.303,113 0.923,114 -4.86,115 -4.76,116 -4.47,119 41.9,121 1,125 1,140 6,141 3,142 3,149 1,150 1,153 1,157 1,161 1,162 1,163 1,166 1,169 7,172 2,173 1,174 2,175 1,176 5,177 1,178 9,181 1,182 2,183 1,184 1,186 5,189 10,193 3,195 1,197 4,199 4,201 1,203 4,207 2,208 4,211 1,213 2,215 4,218 1,220 6,224 3,226 4,229 1,230 2,231 4,232 1,233 1,235 2,237 2,242 3,244 2,246 2,249 2,252 1,253 1,254 4,255 1,256 4,258 2,259 1036,260 17.361,261 17.361,262 17.361,263 17.361,264 17.361,265 14.831,266 13.364,267 10.307,268 17.864,269 13.798,270 13.798,271 13.798,272 13.798,273 13.798,274 10.124,275 9.627,276 4.911,277 14.747,278 3.678,279 1.384,280 0.593,281 0.186,282 0.14,283 0.14,284 3.984,285 2,288 1,289 1,290 709,291 3.536,294 65.509,295 177.443,298 121.02,302 2.024,303 24.194,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 56.167,315 331,316 4.554,317 3.319,318 6.543,319 4.071,320 3.087,321 4.512,322 1.2,323 10.343,324 3.037,325 4.215,326 3.12,327 5.95,328 3.743,329 2.829,330 3.869,331 0.129,332 8.322,333 2.593,334 3.775,335 2.924,336 5.214,337 3.313,338 2.396,339 3.111,341 6.441,342 2.208,343 3.652,344 2.583,345 5.169,346 3.216,347 2.261,348 3.009,350 6.249,351 2.129,352 3.507,353 2.5,354 5.019,355 3.119,356 2.191,357 2.81,359 6.028,360 1.92,361 3.381,362 2.137,363 4.949,364 2.894,365 1.932,366 2.719,368 5.692,369 1.849,370 2.872,371 2.116,372 4.141,373 2.32,374 1.414,375 1.955,377 3.528,378 1.303,379 2.82,380 1.603,381 4.043,382 2.305,383 1.353,384 1.948,386 3.494,387 1.201,388 2.616,389 1.326,390 3.535,391 2.154,392 1.196,393 1.601,395 2.723,396 1.136,397 2.203,398 1.184,399 3.313,400 1.917,401 0.974,402 1.16,404 2.142,405 0.911,406 2.074,407 0.801,408 3.144,409 1.61,410 0.652,411 0.89,413 1.512,414 0.621,415 1.48,416 0.71,417 2.713,418 1.073,419 0.231,420 0.272,422 0.508,423 0.163,424 1.206,425 0.31,426 2.38,427 0.825,428 -0.087,429 -0.107,431 -0.204,432 -0.075,433 0.992,434 0.077,435 2.375,436 0.573,437 -0.286,438 -0.326,440 -0.657,441 -0.234,442 0.798,443 -0.095,444 2.32,445 0.428,446 -0.493,447 -0.623,449 -1.158,450 -0.438,451 12.762,452 0.491,453 0.647,454 0.025,455 34,456 1.308,457 17.5,458 0.673,459 16.5,460 0.635,461 19.744,462 0.759,463 27.438,464 0.638,465 23.83,466 0.917,467 7.037,468 0.271,469 5.488,470 0.211,471 0.169,473 0.313,479 0.89,480 1.054,481 0.578,482 0.725,483 0.969,484 0.741,485 0.69,486 1.035,487 0.646,488 0.877,489 0.588,490 0.9,491 0.995,492 1.055,493 0.891,494 0.988,495 0.949,496 1.046,497 0.969,498 1.196,499 0.945,500 1.105,501 0.933,502 1.135,503 0.98,504 1.003,505 0.861,506 0.89,507 0.949,508 0.913,509 1.26,510 1.171,511 1.078,512 0.982,513 1.208,514 0.962,515 0.878,516 1.191,517 0.885,518 0.985,519 0.889,520 0.996,521 0.93,522 1.078,523 0.709,524 0.866,525 0.949,526 0.928,527 5.5,528 0.091,529 3.111,530 1.542,531 1.067,532 0.618,533 0.366,534 0.309,535 0.212,536 0.132,537 9477,538 32578,539 2.037,540 39.5,542 8,543 1,544 1,545 5,547 2,550 1.681,551 1.902,552 3.616,553 2.596,555 1,559 75.174,560 1.748,561 4.042,562 4.833,563 5.24,564 5.287,565 5.287,566 3.042,567 4.624,568 4.678,569 3.826,570 1243.54,571 8.048,572 17038.2,574 1,576 1,577 233.329,578 1.42,579 4.628,580 0.196,581 0.006,582 0.082,583 0.043,584 0.038,585 0.026,586 0.016,587 0.013,588 0.01,589 0.007,590 0.437,592 1,593 0.596,594 132,595 -0.125,596 0.137,597 -0.018,598 0.13,599 -0.19,600 0.088,601 0.028,602 0.087,603 0.02,604 0.022,605 0.069,606 -0.01,607 -0.055,608 -0.024,609 0.016,610 -0.04,611 -0.045,612 -0.11,613 -0.107,614 -0.209,615 -0.094,616 -0.165,617 -0.105,618 -0.162,619 -0.032,620 -0.036,621 0.021,622 0.042,623 -0.022,624 0.076,625 -0.128,626 -0.18,627 -0.097,628 -0.051,629 -0.086,630 -0.017,631 0.049,632 -0.102,633 -0.056,634 -0.117,635 -0.007,636 -0.1,637 -0.036,638 -0.041,639 0.062,640 0.024,641 -0.034,642 0.01,643 1.469,644 3.581,645 0.577,646 24.627,647 1.016,648 1.128,649 3.626,650 13.145,651 0.71,652 3.367,653 3.664,654 3.871,655 4.06,656 4.22,657 4.19,658 4.159,659 4.19,660 4.078,661 3.989,662 7.69,663 0.678,664 390.3,665 3.367,666 4.89,667 5.714,668 6.567,669 7.408,670 8.264,671 9.113,672 9.973,673 10.827,674 11.688,675 11.6,676 1,677 1,683 1,684 2,687 2,688 7,690 1,693 5,695 16,711 1,713 2,714 43,716 18,717 2,718 28,720 45,721 18,722 14,723 6,724 6,725 1,730 3,731 4,732 2,733 1,734 1,743 1,745 16,746 2,750 2,757 1,758 2,759 1,761 1,764 17,765 5,766 5,767 8,768 2,773 5,777 0.667,778 1,788 1,792 1,793 2,796 1,812 1,819 2,824 2,827 26,828 1,832 1,833 2,834 1,846 2,847 2.3,849 1,854 13.667,855 7.386,856 5.75,857 2.298,858 4.138,859 1.588,860 0.981,861 6.163,862 11.173,863 3.664,864 4.287,865 4.851,866 5.424,867 5.918,868 6.155,869 6.42,870 6.766,871 6.763,872 6.9,873 1,874 36,875 9.496,877 3.951,878 7.868,879 17.801,881 14.163,883 2.368,884 61.556,887 1,888 141.253,889 99.581,890 101.019,891 78.297,892 42.683,895 99.581,896 262.234,897 101.019,899 37.537,900 83.793,901 63.502,902 66.179,903 15.814,904 117.711,905 78.297,906 141.253,907 200.601,908 42.683,909 78.297,911 117.711,912 66.226,915 105.66,916 85.893,917 87.345,919 141.253,920 143.703,921 177.878,924 141.253,925 24.629,926 74.952,927 34.674,928 187.326,929 141.253,930 143.703,931 177.878,933 0.58,934 0.328,935 0.163,936 0.089,937 17,938 8,939 0.133,940 6,941 1,942 1.133,943 3.97,944 198.82,945 0.133,946 15,947 122.211,951 18.731,952 8.554,953 4.995,954 1.776,955 126.917,956 12.36,958 3.103,961 3.099,963 110.254,964 462.834,965 38,972 1.611,973 8.286,974 0.212,975 43.669,976 48.495,977 0.322,978 0.745,979 0.891,980 0.966,981 0.974,982 0.974,983 4.875,984 1.353,985 5.687,986 3.528,987 4.344,988 4.973,989 1.247,990 6.441,991 4.221,992 6.096,993 1.196,994 7.216,995 3.494,996 3.892,997 4.796,998 0.623,999 7.235,1000 3.647,1001 7.402,1002 0.974,1003 8.841,1004 2.723,1005 5.889,1006 7.215,1007 1.347,1008 10.291,1009 5.681,1010 8.744,1011 0.652,1012 10.523,1013 2.142,1014 6.236,1015 7.876,1016 1.024,1017 11.939,1018 5.93,1019 10.116,1020 0.231,1021 12.243,1022 1.512,1023 7.705,1024 9.759,1025 1.533,1026 14.515,1027 7.429,1028 11.51,1029 -0.087,1030 13.989,1031 0.508,1032 8.435,1033 10.839,1034 1.382,1035 16.545,1036 8.096,1037 12.922,1038 -0.286,1039 15.756,1040 -0.204,1041 9.686,1042 12.496,1043 1.767,1044 18.957,1045 9.361,1046 3.087,1047 -0.493,1048 17.54,1049 -0.657,1050 10.608,1051 13.789,1052 1.73,1053 21.157,1054 10.246,1055 2.829,1056 10.343,1057 19.338,1058 -1.158,1059 11.767,1060 15.349,1061 2.038,1062 23.511,1063 11.409,1064 2.396,1065 8.322,1066 21.147,1067 4.512,1068 12.784,1069 16.748,1070 2.077,1071 25.786,1072 12.405,1073 2.261,1074 6.441,1075 22.966,1076 3.869,1077 13.908,1078 18.268,1079 2.335,1080 28.122,1081 13.527,1082 2.191,1083 6.249,1084 24.793,1085 3.111,1086 14.972,1087 19.718,1088 2.426,1089 30.429,1090 14.578,1091 1.932,1092 6.028,1093 26.628,1094 3.009,1095 16.084,1096 21.223,1097 2.653,1098 32.761,1099 15.685,1100 1.414,1101 5.692,1102 28.468,1103 2.81,1104 17.172,1105 22.699,1106 2.777,1107 35.082,1108 16.763,1109 9118,1110 17042,1111 18.493,1112 30.529,1113 41.725,1114 42.155,1115 42.326,1116 41.27,1117 41.031,1118 55.718,1119 2.658,1120 113.963,1121 38.143,1122 5.339,1123 5.319,1124 6.126,1125 5.114,1126 5.087,1127 7.512,1128 2.129,1129 17.002,1130 5.037,1131 13.596,1132 1.49,1133 1.506,1134 1.512,1135 1.474,1136 1.465,1137 1.99,1138 0.095,1139 4.07,1140 1.362,1141 4.124,1142 4.156,1143 4.121,1144 4.036,1145 6.471,1146 4.045,1147 3.933,1148 3.956,1149 4.08,1150 3.889,1151 5.166,1152 3.878,1153 3.637,1154 3.717,1155 3.607,1156 3.407,1157 5.037,1158 3.431,1159 3.466,1160 3.51,1161 3.428,1162 3.328,1163 4.951,1164 3.333,1165 3.291,1166 3.367,1167 3.397,1168 3.069,1169 4.575,1170 3.088,1171 3.095,1172 3.179,1173 3.319,1174 2.883,1175 4.491,1176 2.9,1177 2.878,1178 2.933,1179 3.074,1180 2.792,1181 4.328,1182 2.765,1183 2.859,1184 2.921,1185 2.847,1186 2.686,1187 4.133,1188 2.687,1189 0.163,1190 0.119,1191 0.234,1192 0.145,1193 0.11,1194 4.554,1195 0.161,1196 3.319,1197 0.043,1198 6.543,1199 0.369,1200 4.071,1201 0.108,1202 3.087,1203 4.512,1204 1.2,1205 10.343,1206 3.037,1207 1.926,1208 1.908,1209 2.004,1210 2.015,1211 1.221,1212 2.012,1213 1.91,1214 1.891,1215 2.001,1216 1.986,1217 1.141,1218 2.001,1219 1.591,1220 1.533,1221 1.72,1222 1.834,1223 0.857,1224 1.805,1225 1.496,1226 1.433,1227 1.666,1228 1.709,1229 0.73,1230 1.701,1231 1.213,1232 1.134,1233 1.423,1234 1.486,1235 0.307,1236 1.488,1237 1.063,1238 1.011,1239 1.255,1240 1.337,1241 0.247,1242 1.32,1243 0.868,1244 0.824,1245 1.101,1246 1.083,1247 0.165,1248 1.067,1249 0.81,1250 0.742,1251 1.083,1252 1.017,1253 0.124,1254 1.06,1255 4.043,1257 5.342,1258 2.398,1259 6.819,1260 4.727,1261 8.38,1262 6.823,1263 9.989,1266 11.87,1269 5.798,1270 9.581,1271 1.179,1272 2.681,1280 29.164,1281 75.174,1282 173.82,1283 207.82,1284 225.329,1285 227.329,1286 227.329,1287 43.694,1288 7.035,1289 98.79,1290 98.79,1291 17,1292 12.239,1293 4.248,1294 3.459,1295 44.891,1296 123,1297 102,1298 0.174,1299 189.539,1300 320.63,1301 454.236,1302 11900,1303 4.7,1304 18.518,1305 0.712,1306 0.585,1307 19.518,1308 15.22,1309 12.525,1310 0.447,1311 0.308,1312 7.825,1313 11.569,1314 7.607,1315 6.294,1316 13.102,1317 8.613,1318 11.28,1319 0.297,1320 0.169,1321 12.022,1322 6.424,1323 9.112,1324 0.194,1325 0.095,1326 10.027,1327 4.486,1328 6.973,1329 0.122,1330 0.048,1331 7.374,1332 2.762,1333 5.455,1334 0.081,1335 0.027,1336 5.835,1337 1.803,1338 0.288,1339 84.229,1340 0.233,1341 26.025,1342 0.439,1343 132,1344 399.825,1345 172.886,1346 456.156,1347 598.96,1348 422,1349 151,1350 393.785,1351 187.523,1352 420.991,1353 605.9,1354 395,1355 6.23} {0 CHEMBL552599,1 1.828,2 16.806,3 5.933,4 35.205,5 132.606,6 8.413,7 0.41,8 4.238,9 4.337,10 4.01,11 3.778,12 5.348,13 3.764,14 4.826,15 4.97,16 4.426,17 4.154,18 6.41,19 4.14,20 5.077,21 5.269,22 4.372,23 4.285,24 6.654,25 4.219,26 5.066,27 5.298,28 4.12,29 4.27,30 6.063,31 4.149,32 5.073,33 5.318,34 4.11,35 4.166,36 6.185,37 4.065,38 4.98,39 5.21,40 4.103,41 4.044,42 6.186,43 3.98,44 4.912,45 5.129,46 4.041,47 3.98,48 6.119,49 3.918,50 4.882,51 5.105,52 3.975,53 3.948,54 6.094,55 3.88,56 0.22,57 1.112,58 13.538,59 6.429,60 41.427,61 6.826,62 1.278,63 2.187,64 27.837,65 10.629,66 205.609,67 11.771,68 1.772,69 1.919,70 35.37,71 13.288,72 277.323,73 16.814,74 0.757,75 1.85,76 37.714,77 14.219,78 92.313,79 18.521,80 0.962,81 1.847,82 39.962,83 13.877,84 112.844,85 17.854,86 1.039,87 1.821,88 38.02,89 12.419,90 146.872,91 14.745,92 1.055,93 1.673,94 34.53,95 11.092,96 136.545,97 12.912,98 1.09,99 1.702,100 35.627,101 11.071,102 144.701,103 12.709,104 40,105 56,106 0.292,107 0.627,108 0.796,109 0.881,110 0.897,111 0.897,112 3.615,113 0.992,114 -3.73,115 -3.69,116 -3.51,119 40.3,121 3,125 4,132 1,134 2,140 7,141 4,142 1,149 1,150 1,156 1,169 13,171 3,172 6,174 1,176 5,178 13,182 6,186 5,189 10,193 8,197 3,199 7,202 1,203 8,206 1,208 1,211 9,215 3,218 1,219 1,220 1,222 6,225 3,226 6,231 4,233 4,237 3,242 4,244 3,249 5,254 2,256 5,259 2636,260 23.595,261 23.595,262 23.595,263 23.595,264 23.595,265 21.153,266 22.082,267 13.83,268 24.304,269 19.268,270 19.268,271 19.268,272 19.268,273 19.268,274 15.357,275 24.353,276 6.611,277 20.505,278 4.126,279 2.027,280 0.966,281 0.432,282 0.335,283 0.335,284 4.306,289 1,290 1299,291 5.148,294 99.039,295 345.875,298 183.171,299 190.91,302 2.605,303 58.652,306 0.75,307 0.83,308 0.67,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 82,315 605,316 4.999,317 5.697,318 8.104,319 4.515,320 3.69,321 4.698,322 6.006,323 14.439,324 3.09,325 4.532,326 3.799,327 6.526,328 4.049,329 3.062,330 4.485,331 1.914,332 10.265,333 3.022,334 4.286,335 3.456,336 6.221,337 3.944,338 2.963,339 3.91,340 1.058,341 9.384,342 2.902,343 3.762,344 3.219,345 5.533,346 3.392,347 2.43,348 3.065,349 0.916,350 7.289,351 2.386,352 3.61,353 3.056,354 5.259,355 3.339,356 2.38,357 2.866,358 0.172,359 6.655,360 2.219,361 3.4,362 2.644,363 5.173,364 3.115,365 2.203,366 2.706,368 6.283,369 2.003,370 3.352,371 2.362,372 4.979,373 2.979,374 1.989,375 2.398,377 5.767,378 1.965,379 3.248,380 2.027,381 4.974,382 2.785,383 1.888,384 2.335,386 5.763,387 1.611,388 3.046,389 1.881,390 4.402,391 2.598,392 1.605,393 2.318,395 4.309,396 1.59,397 2.884,398 1.773,399 4.183,400 2.531,401 1.547,402 2.003,404 3.764,405 1.515,406 2.734,407 1.546,408 3.706,409 2.518,410 1.544,411 1.783,413 3.296,414 1.501,415 2.609,416 1.3,417 3.588,418 2.197,419 1.202,420 1.612,422 2.802,423 1.195,424 2.382,425 1.234,426 3.396,427 1.897,428 0.928,429 1.199,431 2.08,432 0.897,433 2.029,434 1.143,435 3.296,436 1.76,437 0.784,438 0.964,440 1.823,441 0.763,442 1.957,443 0.904,444 3.246,445 1.635,446 0.661,447 0.779,449 1.489,450 0.641,451 16.724,452 0.465,453 1.137,454 0.032,455 43.75,456 1.215,457 20.5,458 0.569,459 23.25,460 0.646,461 32.132,462 0.893,463 40.876,464 0.659,465 38.155,466 1.06,467 8.679,468 0.241,469 8.443,470 0.235,471 0.111,472 0.08,473 0.233,478 3,479 0.555,480 1.089,481 0.731,482 1.243,483 0.59,484 0.976,485 0.427,486 0.864,487 0.694,488 1.062,489 0.414,490 0.997,491 0.375,492 0.753,493 0.72,494 0.87,495 0.297,496 1.017,497 0.487,498 0.772,499 0.882,500 1.055,501 0.414,502 1.128,503 0.659,504 0.796,505 0.791,506 0.924,507 0.623,508 0.982,509 0.998,510 1.001,511 0.948,512 0.997,513 0.997,514 0.971,515 1.044,516 0.961,517 1.05,518 0.966,519 1.04,520 1.005,521 1.087,522 0.925,523 1.193,524 1.052,525 1.151,526 1.037,527 9,528 0.177,529 4.889,530 2.042,531 1.729,532 0.993,533 0.821,534 0.609,535 0.405,536 0.238,537 24222,538 83667,539 2.026,540 41.9,542 17,543 1,545 2,547 6,550 1.765,551 1.878,552 3.977,553 0.231,559 113.343,560 1.828,561 3.927,562 4.988,563 5.523,564 5.619,565 5.619,566 3.396,567 4.705,568 5.146,569 4.234,570 2667.65,571 8.988,572 47921.6,577 369.16,578 1.616,579 5.08,580 0.231,581 0.007,582 0.087,583 0.037,584 0.039,585 0.024,586 0.02,587 0.016,588 0.011,589 0.008,590 0.48,591 0.33,592 0.88,593 1.005,594 204.275,595 0.014,596 -0.085,597 0.164,598 -0.081,599 -0.087,600 0.02,601 0.42,602 0.165,603 0.178,604 -0.055,605 0.358,606 -0.048,607 0.425,608 0.101,609 0.102,610 0.039,611 0.439,612 -0.033,613 0.023,614 -0.086,615 -0.003,616 -0.102,617 0.048,618 -0.077,619 0.025,620 -0.086,621 0.12,622 -0.01,623 0.037,624 0.054,625 -0.067,626 -0.095,627 0.046,628 -0.036,629 -0.063,630 0.035,631 -0.099,632 -0.101,633 -0.058,634 -0.023,635 -0.108,636 -0.034,637 -0.084,638 0.047,639 -0.137,640 -0.057,641 -0.131,642 -0.055,643 6.726,644 5.126,645 0.528,646 48.247,647 1.028,648 1.14,649 2.499,650 6.244,651 0.664,652 3.689,653 4.043,654 4.248,655 4.407,656 4.615,657 4.654,658 4.771,659 4.905,660 4.852,661 4.779,662 10.059,663 0.647,664 521.61,665 3.689,666 5.252,667 6.089,668 6.967,669 7.826,670 8.703,671 9.571,672 10.45,673 11.322,674 12.202,675 4.8,678 1,682 1,683 1,687 2,688 8,690 1,693 4,695 16,714 62,716 20,717 2,718 39,720 65,721 25,722 14,723 5,724 7,725 3,730 4,731 6,740 1,743 3,745 17,746 8,750 4,753 1,755 3,757 2,759 1,762 3,764 26,765 9,766 2,767 11,768 1,773 3,777 0.5,778 4,788 1,792 1,793 3,796 1,797 1,805 1,810 2,815 1,819 2,821 1,825 3,827 36,831 1,833 7,834 1,835 1,838 1,839 1,846 3,847 6.5,850 3,852 1,854 19.167,855 10.795,856 7.687,857 3.692,858 3.733,859 1.46,860 0.999,861 8.087,862 11.841,863 3.951,864 4.562,865 5.059,866 5.552,867 6.045,868 6.311,869 6.665,870 7.007,871 6.871,872 6.958,873 0.909,874 55,875 18.588,877 4.9135,878 8.273,879 24.849,881 20.774,883 2.773,884 99.833,888 282.506,889 148.456,890 37.921,892 78.003,893 44.88,894 7.75,895 140.707,896 360.51,897 82.801,899 34.037,900 102.083,901 74.163,902 90.709,903 13.915,904 270.735,905 6.125,906 282.506,907 178.627,908 122.884,909 7.75,911 211.88,912 148.63,913 44.88,914 6.125,915 53.947,916 99.603,917 26.702,919 327.387,920 115.924,921 148.456,923 7.75,924 288.631,925 40.248,926 97.458,927 34.796,928 122.884,929 282.506,930 160.804,931 148.456,933 0.595,934 0.335,935 0.155,936 0.085,937 26,938 12,939 0.138,940 9,941 2,942 1.211,943 4.797,944 319.545,945 0.211,946 19,947 177.362,950 1,951 26.276,952 11.08,953 6.712,954 2.054,955 144.019,956 13.902,958 3.162,961 2.288,963 34.796,964 591.767,965 51,968 -5.7,970 34.655,972 3.285,974 -0.173,975 63.716,976 70.669,977 0.307,978 0.66,979 0.838,980 0.928,981 0.944,982 0.944,983 5.215,984 1.888,985 6.129,986 5.767,987 4.727,988 5.25,989 4.208,990 6.991,991 4.615,992 6.457,993 1.605,994 7.739,995 5.763,996 4.575,997 5.345,998 4.964,999 8.324,1000 4.289,1001 7.81,1002 1.547,1003 9.481,1004 4.309,1005 6.444,1006 7.549,1007 7.405,1008 11.358,1009 6.172,1010 9.209,1011 1.544,1012 11.31,1013 3.764,1014 7.116,1015 8.474,1016 8.78,1017 13.57,1018 6.634,1019 10.648,1020 1.202,1021 13.203,1022 3.296,1023 8.548,1024 10.235,1025 10.87,1026 16.293,1027 8.043,1028 12.118,1029 0.928,1030 15.144,1031 2.802,1032 9.576,1033 11.508,1034 12.462,1035 18.809,1036 8.859,1037 13.612,1038 0.784,1039 17.12,1040 2.08,1041 10.88,1042 13.116,1043 14.399,1044 21.475,1045 10.084,1046 3.69,1047 0.661,1048 19.124,1049 1.823,1050 12.058,1051 14.534,1052 16.093,1053 24.09,1054 11.062,1055 3.062,1056 14.439,1057 21.149,1058 1.489,1059 13.333,1060 16.087,1061 17.956,1062 26.751,1063 12.214,1064 2.963,1065 10.265,1066 23.19,1067 4.698,1068 14.573,1069 17.566,1070 19.7,1071 29.399,1072 13.264,1073 2.43,1074 9.384,1075 25.243,1076 4.485,1077 15.848,1078 19.101,1079 21.527,1080 32.063,1081 14.387,1082 2.38,1083 7.289,1084 27.305,1085 3.91,1086 17.117,1087 20.606,1088 23.296,1089 34.724,1090 15.47,1091 2.203,1092 6.655,1093 29.375,1094 3.065,1095 18.399,1096 22.135,1097 25.105,1098 37.39,1099 16.583,1100 1.989,1101 6.283,1102 31.449,1103 2.866,1104 19.682,1105 23.653,1106 26.886,1107 40.056,1108 17.68,1109 22969,1110 43354,1111 25.424,1112 41.193,1113 59.409,1114 60.308,1115 59.44,1116 58.705,1117 58.407,1118 75.208,1119 20.134,1120 172.314,1121 55.243,1122 5.951,1123 7.697,1124 7.876,1125 5.577,1126 5.69,1127 7.698,1128 10.217,1129 22.669,1130 5.09,1131 20.666,1132 1.523,1133 1.546,1134 1.524,1135 1.505,1136 1.498,1137 1.928,1138 0.516,1139 4.418,1140 1.416,1141 4.13,1142 4.162,1143 4.739,1144 4.05,1145 8.518,1146 4.054,1147 4.047,1148 4.054,1149 4.084,1150 3.966,1151 7.999,1152 3.942,1153 3.903,1154 3.863,1155 3.921,1156 3.821,1157 7.999,1158 3.718,1159 3.738,1160 3.791,1161 3.635,1162 3.581,1163 7.707,1164 3.581,1165 3.591,1166 3.634,1167 3.494,1168 3.466,1169 7.43,1170 3.462,1171 3.444,1172 3.504,1173 3.325,1174 3.288,1175 6.999,1176 3.287,1177 3.344,1178 3.404,1179 3.225,1180 3.176,1181 4.983,1182 3.182,1183 3.161,1184 3.242,1185 3.078,1186 2.995,1187 4.786,1188 2.981,1189 0.128,1190 0.146,1191 0.208,1192 0.116,1193 0.095,1194 4.999,1195 0.12,1196 5.697,1197 0.154,1198 8.104,1199 0.37,1200 4.515,1201 0.079,1202 3.69,1203 4.698,1204 6.006,1205 14.439,1206 3.09,1207 1.979,1208 1.957,1209 2.097,1210 2.09,1211 1.386,1212 2.098,1213 1.94,1214 1.918,1215 2.033,1216 2.016,1217 1.249,1218 2.023,1219 1.729,1220 1.703,1221 1.945,1222 1.919,1223 1.157,1224 1.929,1225 1.649,1226 1.661,1227 1.788,1228 1.835,1229 0.901,1230 1.839,1231 1.597,1232 1.586,1233 1.678,1234 1.779,1235 0.835,1236 1.788,1237 1.432,1238 1.376,1239 1.541,1240 1.653,1241 0.782,1242 1.652,1243 1.313,1244 1.258,1245 1.447,1246 1.537,1247 0.646,1248 1.541,1249 1.169,1250 1.092,1251 1.368,1252 1.386,1253 0.587,1254 1.417,1255 4.369,1257 5.714,1258 2.398,1259 7.239,1260 4.727,1261 8.849,1262 6.823,1263 10.503,1267 37.751,1271 4.827,1272 2.868,1273 4.249,1276 2.142,1277 -5.476,1280 40.109,1281 113.343,1282 243.477,1283 309.244,1284 342.405,1285 348.405,1286 348.405,1287 87.054,1288 8.108,1289 91.5,1290 99.88,1291 23,1292 12.739,1293 4.392,1294 3.7,1295 62.868,1296 223,1297 188,1298 0.133,1299 245.752,1300 440.04,1301 591.395,1302 49910,1303 4.8,1304 25.761,1305 0.716,1306 0.56,1307 23.511,1308 20.162,1309 17.121,1310 0.439,1311 0.331,1312 11.402,1313 15.589,1314 11.136,1315 9.162,1316 16.798,1317 12.9,1318 16.583,1319 0.296,1320 0.18,1321 16.392,1322 10.099,1323 12.981,1324 0.188,1325 0.101,1326 11.503,1327 6.973,1328 9.525,1329 0.118,1330 0.057,1331 9.889,1332 4.588,1333 7.753,1334 0.078,1335 0.032,1336 7.773,1337 3.229,1338 0.222,1339 116.854,1340 0.198,1341 34.244,1342 0.331,1343 190,1344 782.447,1345 269.541,1346 687.304,1347 893.24,1348 630,1349 220,1350 595.434,1351 295.712,1352 621.027,1353 929.84,1354 579,1355 7.2} {0 CHEMBL553591,1 1.409,2 15.033,3 4.118,4 16.955,5 122.128,6 7.117,7 0.485,8 4.101,9 4.229,10 3.634,11 3.691,12 5.172,13 3.651,14 4.643,15 4.825,16 3.95,17 4.093,18 5.629,19 4.02,20 4.928,21 5.158,22 3.967,23 4.232,24 5.845,25 4.115,26 4.986,27 5.244,28 3.818,29 4.177,30 5.867,31 4.028,32 4.91,33 5.192,34 3.679,35 4.028,36 5.764,37 3.87,38 4.761,39 5.027,40 3.647,41 3.891,42 5.734,43 3.758,44 4.673,45 4.929,46 3.548,47 3.812,48 5.671,49 3.685,50 4.6,51 4.862,52 3.46,53 3.753,54 5.559,55 3.622,56 0.047,57 0.807,58 11.711,59 5.05,60 10.263,61 6.918,62 0.189,63 1.329,64 21.652,65 8.557,66 19.685,67 12.033,68 0.211,69 1.654,70 30.43,71 11.935,72 35.164,73 16.913,74 0.27,75 1.695,76 33.39,77 12.469,78 45.763,79 17.891,80 0.276,81 1.529,82 31.778,83 11.694,84 42.595,85 16.91,86 0.326,87 1.324,88 27.276,89 9.856,90 47.296,91 14.049,92 0.295,93 1.225,94 24.839,95 8.561,96 47.446,97 12.236,98 0.217,99 1.144,100 22.992,101 8.018,102 40.6,103 11.517,104 6,105 44,106 0.229,107 0.599,108 0.79,109 0.886,110 0.904,111 0.904,112 3.439,113 0.954,114 -3.81,115 -3.77,116 -3.58,119 44.6,121 3,125 4,134 2,140 7,141 5,149 1,150 1,156 2,169 15,172 5,174 1,176 5,178 15,182 6,186 5,189 11,193 6,197 3,199 8,203 4,206 1,208 1,211 9,214 1,215 2,218 1,219 1,220 1,222 7,225 1,226 3,231 4,233 5,237 3,242 4,244 3,249 4,254 3,256 5,259 1526,260 20.8,261 20.8,262 20.8,263 20.8,264 20.8,265 18.567,266 19.729,267 12.561,268 21.008,269 16.263,270 16.263,271 16.263,272 16.263,273 16.263,274 12.7,275 21.751,276 5.935,277 16.58,278 4.398,279 2.124,280 0.949,281 0.357,282 0.25,283 0.25,284 4.142,288 1,289 1,290 991,291 3.808,294 76.882,295 275.495,298 142.65,299 153.959,302 2.233,303 19.93,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 451,316 4.532,317 4.058,318 6.526,319 4.049,320 3.062,321 4.485,322 2.035,323 10.265,324 3.022,325 4.312,326 3.456,327 6.219,328 3.955,329 2.967,330 3.946,331 1.058,332 9.375,333 2.935,334 3.801,335 3.214,336 5.309,337 3.394,338 2.419,339 3.065,340 0.916,341 6.871,342 2.386,343 3.762,344 3.056,345 5.179,346 3.366,347 2.378,348 3.034,349 0.172,350 6.354,351 2.317,352 3.4,353 2.621,354 5.173,355 3.113,356 2.142,357 2.706,359 6.283,360 2.066,361 3.357,362 2.269,363 4.979,364 2.979,365 1.988,366 2.386,368 5.765,369 1.967,370 3.046,371 2.027,372 4.404,373 2.599,374 1.605,375 2.318,377 4.318,378 1.593,379 2.961,380 1.874,381 4.183,382 2.54,383 1.551,384 2.004,386 3.764,387 1.53,388 2.878,389 1.771,390 3.706,391 2.518,392 1.545,393 1.783,395 3.296,396 1.501,397 2.734,398 1.546,399 3.588,400 2.197,401 1.202,402 1.614,404 2.802,405 1.195,406 2.607,407 1.235,408 3.329,409 1.914,410 0.941,411 1.219,413 2.086,414 0.914,415 2.382,416 1.154,417 3.257,418 1.785,419 0.811,420 1.167,422 1.834,423 0.788,424 2.002,425 0.912,426 3.082,427 1.647,428 0.673,429 0.84,431 1.493,432 0.652,433 1.95,434 0.882,435 2.839,436 1.384,437 0.434,438 0.686,440 0.762,441 0.411,442 1.792,443 0.513,444 2.816,445 1.314,446 0.322,447 0.477,449 0.667,450 0.318,451 14.433,452 0.481,453 0.533,454 0.018,455 38.75,456 1.292,457 20,458 0.667,459 18.75,460 0.625,461 24.165,462 0.805,463 31.167,464 0.557,465 27.002,466 0.9,467 7.579,468 0.253,469 7.145,470 0.238,471 0.051,473 0.27,479 0.779,480 1.205,481 0.835,482 1.012,483 0.479,484 0.938,485 0.858,486 1.064,487 0.985,488 1.004,489 0.45,490 0.999,491 0.915,492 1.063,493 1.015,494 1.057,495 0.672,496 1.048,497 1.038,498 1.04,499 1.088,500 1.067,501 0.937,502 1.08,503 0.929,504 0.936,505 0.945,506 0.968,507 0.875,508 0.961,509 1.076,510 0.936,511 0.939,512 0.964,513 1.273,514 0.95,515 1.424,516 1.025,517 1.093,518 0.996,519 1.505,520 1.012,521 1.347,522 0.98,523 1.081,524 0.986,525 1.439,526 0.999,527 5,528 0.111,529 2.889,530 1.417,531 1.169,532 0.632,533 0.434,534 0.284,535 0.175,536 0.112,537 15468,538 37015,539 2.128,540 46.4,542 17,543 1,545 2,547 6,550 1.717,551 2.045,552 3.844,553 0.144,555 1,559 78.904,560 1.409,561 3.684,562 4.858,563 5.45,564 5.557,565 5.557,566 3.244,567 4.44,568 4.885,569 4.046,570 1759.89,571 8.455,572 27504.7,574 1,577 325.212,578 1.159,579 4.862,580 0.152,581 0.005,582 0.066,583 0.033,584 0.033,585 0.021,586 0.015,587 0.011,588 0.007,589 0.005,590 0.348,591 0.33,592 1,593 0.588,594 160.921,595 -0.029,596 -0.064,597 0.045,598 0.01,599 0.044,600 0.031,601 0.001,602 0.029,603 -0.06,604 -0.012,605 0.06,606 -0.035,607 -0.063,608 -0.07,609 -0.058,610 -0.06,611 0.021,612 -0.059,613 -0.094,614 -0.078,615 -0.102,616 -0.086,617 -0.058,618 -0.093,619 0.035,620 -0.011,621 0.063,622 0.01,623 0.006,624 0.035,625 0.164,626 0.005,627 0.082,628 0.004,629 0.004,630 0.027,631 -0.045,632 -0.053,633 -0.068,634 -0.043,635 -0.111,636 -0.057,637 -0.128,638 -0.004,639 -0.066,640 -0.03,641 -0.144,642 -0.036,643 1.726,644 5.092,645 0.633,646 32.733,647 0.99,648 1.121,649 2.579,650 6.651,651 0.676,652 3.526,653 3.807,654 4.06,655 4.29,656 4.489,657 4.5,658 4.543,659 4.595,660 4.522,661 4.382,662 8.879,663 0.636,664 398.55,665 3.526,666 5.043,667 5.878,668 6.732,669 7.583,670 8.444,671 9.302,672 10.167,673 11.029,674 11.896,675 7.1,678 1,682 1,683 1,684 1,687 2,688 8,690 1,693 4,695 16,697 1,714 56,716 19,717 2,718 33,720 59,721 25,722 14,723 5,724 7,725 3,730 4,731 6,740 1,743 3,744 1,745 17,746 7,750 2,755 1,757 2,759 1,761 1,764 26,765 4,766 2,767 5,773 4,777 0.5,778 1,788 1,792 1,793 3,796 1,797 1,805 1,810 2,815 1,819 2,827 30,833 7,834 1,838 1,840 1,843 1,845 1,847 1.8,850 1,854 14.667,855 9.9,856 6.75,857 3.531,858 3.766,859 1.49,860 1.005,861 6.515,862 11.455,863 3.829,864 4.366,865 4.965,866 5.516,867 6.013,868 6.274,869 6.586,870 6.827,871 6.738,872 6.818,873 0.9,874 43,875 11.084,877 4.647,878 7.656,879 21.599,881 17.877,883 2.156,884 64.667,887 1,888 282.506,889 149.126,890 68.98,892 25.145,895 149.126,896 307.651,897 68.98,899 34.037,900 94.334,901 46.451,902 66.284,903 13.915,904 270.735,906 282.506,907 218.106,908 25.145,911 211.88,912 95.772,915 85.006,916 114.147,917 18.952,919 282.506,920 94.125,921 149.126,924 282.506,925 38.19,926 97.458,927 51.398,928 56.204,929 282.506,930 94.125,931 149.126,933 0.567,934 0.33,935 0.176,936 0.097,937 20,938 8,939 0.119,940 7,941 2,942 1.211,943 4.46,944 246.095,945 0.211,946 19,947 147.207,951 20.255,952 9.649,953 5.133,954 2.188,955 77.339,956 15.989,958 3.212,961 4.389,963 34.796,964 525.757,965 45,970 12.092,972 3.457,974 -0.059,975 55.454,976 62.77,977 0.243,978 0.634,979 0.837,980 0.939,981 0.957,982 0.957,983 5.05,984 1.551,985 5.826,986 4.318,987 4.489,988 5.053,989 2.567,990 6.581,991 4.453,992 6.236,993 1.545,994 7.344,995 3.764,996 3.892,997 4.732,998 0.325,999 7.368,1000 3.856,1001 7.523,1002 1.202,1003 8.962,1004 3.296,1005 6.023,1006 7.236,1007 3.657,1008 10.45,1009 5.956,1010 8.846,1011 0.941,1012 10.641,1013 2.802,1014 6.293,1015 7.849,1016 0.393,1017 12.12,1018 6.226,1019 10.205,1020 0.811,1021 12.362,1022 2.086,1023 7.834,1024 9.76,1025 4.987,1026 14.694,1027 7.742,1028 11.589,1029 0.673,1030 14.112,1031 1.834,1032 8.528,1033 10.825,1034 0.384,1035 16.734,1036 8.434,1037 12.995,1038 0.434,1039 15.884,1040 1.493,1041 9.816,1042 12.489,1043 6.384,1044 19.136,1045 9.703,1046 3.062,1047 0.322,1048 17.673,1049 0.762,1050 10.723,1051 13.775,1052 0.351,1053 21.332,1054 10.605,1055 2.967,1056 10.265,1057 19.475,1058 0.667,1059 11.9,1060 15.334,1061 7.799,1062 23.673,1063 11.767,1064 2.419,1065 9.375,1066 21.289,1067 4.485,1068 12.911,1069 16.726,1070 0.312,1071 25.934,1072 12.77,1073 2.378,1074 6.871,1075 23.111,1076 3.946,1077 14.043,1078 18.241,1079 9.218,1080 28.255,1081 13.888,1082 2.142,1083 6.354,1084 24.94,1085 3.065,1086 15.104,1087 19.684,1088 0.273,1089 30.544,1090 14.939,1091 1.988,1092 6.283,1093 26.776,1094 3.034,1095 16.218,1096 21.182,1097 10.638,1098 32.858,1099 16.041,1100 1.605,1101 5.765,1102 28.616,1103 2.706,1104 17.302,1105 22.649,1106 0.236,1107 35.161,1108 17.114,1109 14371,1110 22350,1111 22.652,1112 37.853,1113 50.123,1114 51.623,1115 49.178,1116 48.054,1117 48.084,1118 63.461,1119 8.364,1120 131.869,1121 47.189,1122 5.484,1123 6.058,1124 6.297,1125 5.086,1126 5.062,1127 7.485,1128 4.069,1129 16.921,1130 5.022,1131 10.622,1132 1.519,1133 1.564,1134 1.49,1135 1.456,1136 1.457,1137 1.923,1138 0.253,1139 3.996,1140 1.43,1141 4.128,1142 4.161,1143 4.085,1144 4.048,1145 7.43,1146 4.053,1147 4.01,1148 4.046,1149 3.949,1150 3.942,1151 6.82,1152 3.94,1153 3.746,1154 3.805,1155 3.639,1156 3.588,1157 4.982,1158 3.588,1159 3.611,1160 3.659,1161 3.522,1162 3.475,1163 4.689,1164 3.477,1165 3.48,1166 3.537,1167 3.362,1168 3.348,1169 4.361,1170 3.345,1171 3.358,1172 3.418,1173 3.254,1174 3.188,1175 4.249,1176 3.199,1177 3.189,1178 3.265,1179 3.071,1180 3.016,1181 4.143,1182 3.015,1183 3.055,1184 3.134,1185 2.905,1186 2.902,1187 4.016,1188 2.893,1189 0.137,1190 0.123,1191 0.198,1192 0.123,1193 0.093,1194 4.532,1195 0.136,1196 4.058,1197 0.062,1198 6.526,1199 0.311,1200 4.049,1201 0.092,1202 3.062,1203 4.485,1204 2.035,1205 10.265,1206 3.022,1207 1.989,1208 1.96,1209 2.105,1210 2.089,1211 1.387,1212 2.097,1213 1.94,1214 1.918,1215 2.033,1216 2.016,1217 1.25,1218 2.023,1219 1.729,1220 1.674,1221 1.948,1222 1.915,1223 1.157,1224 1.925,1225 1.644,1226 1.597,1227 1.789,1228 1.804,1229 0.9,1230 1.805,1231 1.493,1232 1.431,1233 1.699,1234 1.691,1235 0.835,1236 1.695,1237 1.329,1238 1.274,1239 1.545,1240 1.559,1241 0.782,1242 1.558,1243 1.18,1244 1.105,1245 1.447,1246 1.395,1247 0.614,1248 1.423,1249 1.072,1250 1.001,1251 1.37,1252 1.282,1253 0.451,1254 1.317,1255 4.205,1257 5.493,1258 2.398,1259 6.974,1260 4.727,1261 8.548,1262 6.823,1263 10.172,1271 6.685,1272 2.971,1276 2.433,1278 9.085,1279 2.224,1280 35.595,1281 78.904,1282 206.283,1283 272.051,1284 305.212,1285 311.212,1286 311.212,1287 47.053,1288 7.689,1289 71.92,1290 71.92,1291 23,1292 12.443,1293 4.322,1294 3.7,1295 47.685,1296 166,1297 130,1298 0.136,1299 219.977,1300 382.67,1301 528.505,1302 29627,1304 20.761,1305 0.692,1306 0.568,1307 20.761,1308 17.026,1309 14.725,1310 0.446,1311 0.318,1312 10.399,1313 14.369,1314 10.178,1315 8.437,1316 14.725,1317 10.49,1318 12.653,1319 0.288,1320 0.176,1321 12.653,1322 7.743,1323 10.729,1324 0.188,1325 0.099,1326 10.729,1327 5.663,1328 8.683,1329 0.121,1330 0.056,1331 8.683,1332 4.004,1333 7.022,1334 0.08,1335 0.032,1336 7.022,1337 2.812,1338 0.227,1339 90.8,1340 0.21,1341 29.568,1342 0.337,1343 154,1344 387.691,1345 162.431,1346 388.888,1347 531.84,1348 364,1349 178,1350 385.819,1351 186.489,1352 397.962,1353 573.58,1354 375,1355 6.6} {0 CHEMBL554220,1 1.875,2 9.409,3 4.816,4 23.191,5 77.129,6 8.435,7 0.261,8 3.795,9 3.887,10 3.618,11 3.306,12 4.856,13 3.28,14 4.432,15 4.579,16 4.066,17 3.663,18 6.155,19 3.649,20 4.689,21 4.894,22 3.993,23 3.792,24 6.432,25 3.726,26 4.599,27 4.841,28 3.664,29 3.777,30 5.574,31 3.643,32 4.619,33 4.861,34 3.698,35 3.689,36 5.775,37 3.589,38 4.539,39 4.776,40 3.628,41 3.54,42 5.777,43 3.462,44 4.385,45 4.612,46 3.52,47 3.383,48 5.592,49 3.312,50 4.263,51 4.469,52 3.381,53 3.159,54 5.666,55 3.137,56 0.197,57 0.767,58 10.121,59 4.645,60 44.729,61 4.789,62 1.137,63 1.569,64 21.684,65 7.608,66 208.303,67 8.314,68 1.635,69 1.155,70 26.459,71 8.634,72 260.718,73 11.243,74 0.621,75 1.117,76 25.684,77 9.135,78 78.72,79 11.943,80 0.776,81 1.18,82 26.579,83 8.936,84 104.873,85 11.274,86 0.923,87 1.16,88 26.694,89 8.167,90 132.634,91 9.291,92 0.77,93 0.995,94 24.431,95 6.933,96 127.315,97 7.855,98 0.856,99 0.917,100 21.342,101 5.822,102 142.709,103 5.816,104 49,105 34,106 0.339,107 0.621,108 0.799,109 0.866,110 0.866,111 0.866,112 3.146,113 1.108,114 -4.05,115 -4,116 -3.79,119 35,120 1,121 4,125 1,127 1,132 1,140 3,141 2,142 1,169 8,171 3,172 2,176 3,178 10,182 2,186 3,189 8,193 6,197 2,199 5,203 5,208 1,211 4,215 5,218 1,220 1,222 4,226 2,233 3,237 3,240 2,244 2,249 1,256 1,259 592,260 13.897,261 13.897,262 13.897,263 13.897,264 13.897,265 12.872,266 17.46,267 8.088,268 14.473,269 11.318,270 11.318,271 11.318,272 11.318,273 11.318,274 9.61,275 20.617,276 3.815,277 12.37,278 3.447,279 1.889,280 0.907,281 0.538,282 0.538,283 0.538,284 3.799,288 1,289 1,290 415,291 4.243,295 117.559,299 100.326,302 1.628,303 45.35,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 52,315 207,316 4.999,317 5.697,318 8.104,319 4.515,320 3.69,321 4.698,322 6.006,323 14.439,324 3.091,325 4.286,326 3.799,327 6.221,328 3.953,329 2.963,330 3.91,331 1.914,332 9.384,333 2.926,334 3.61,335 3.166,336 5.533,337 3.365,338 2.427,339 2.866,340 0.4,341 7.289,342 2.284,343 3.352,344 2.551,345 5.258,346 3.121,347 2.203,348 2.397,350 6.653,351 2.01,352 3.247,353 2.347,354 4.974,355 2.785,356 1.888,357 2.334,359 5.765,360 1.612,361 2.882,362 1.862,363 4.401,364 2.572,365 1.576,366 2.001,368 4.308,369 1.559,370 2.425,371 1.514,372 3.471,373 2.391,374 1.411,375 1.424,377 2.664,378 1.38,379 1.995,380 1.287,381 3.376,382 1.793,383 0.804,384 0.928,386 1.845,387 0.793,388 1.357,389 0.866,390 3.252,391 1.257,392 0.296,393 0.307,395 0.503,396 0.284,397 1.199,398 0.51,399 2.781,400 0.901,401 -0.044,402 -0.052,404 -0.121,405 -0.041,406 1,407 0.51,408 2.614,409 0.547,410 -0.436,411 -0.484,413 -0.982,414 -0.428,415 0.764,416 0.469,417 2.324,418 0.271,419 -0.722,420 -0.842,422 -2.15,423 -0.7,424 0.569,425 0.055,426 2.262,428 -1,429 -1,431 -2.184,432 -0.7,433 0.265,434 -0.211,435 2,436 -0.012,437 -1,438 -1,440 -3,441 -0.716,443 -0.222,444 2,445 -0.163,446 -1,447 -1.123,449 -3,450 -0.986,451 10.09,452 0.459,453 0.86,454 0.039,455 23.25,456 1.057,457 9.5,458 0.432,459 13.75,460 0.625,461 19.876,462 0.903,463 27.11,464 0.678,465 18.755,466 0.853,467 4.213,468 0.192,469 6.013,470 0.273,471 0.201,472 0.132,473 0.198,478 3,479 0.526,480 1.078,481 0.75,482 1.414,483 0.616,484 1.092,485 0.341,486 0.832,487 0.596,488 1.135,489 0.388,490 1.044,491 0.272,492 0.644,493 0.588,494 0.745,495 0.19,496 0.931,497 0.381,498 0.692,499 0.773,500 1.024,501 0.294,502 1.089,503 0.611,504 0.822,505 0.698,506 0.938,507 0.554,508 0.98,509 0.987,510 0.998,511 0.952,512 0.963,513 0.921,514 0.963,515 1.011,516 1.025,517 1.061,518 1.093,519 1.008,520 0.969,521 1.438,522 1.247,523 1.306,524 1.118,525 1.537,526 1.053,527 7,528 0.083,529 3.333,530 1.25,531 1.387,532 0.736,533 0.609,534 0.455,535 0.288,536 0.162,537 4381,538 16336,539 1.898,540 45,541 5,542 6,545 1,547 6,550 1.645,551 1.714,552 3.203,553 -0.175,559 75.006,560 1.875,561 3.433,562 4.415,563 4.784,564 4.784,565 4.784,566 2.698,567 3.629,568 4.428,569 3.361,570 776.439,571 7.606,572 8526.83,574 1,577 212.877,578 1.79,579 4.327,580 0.304,581 0.012,582 0.098,583 0.037,584 0.053,585 0.028,586 0.026,587 0.023,588 0.017,589 0.014,590 0.612,591 0.33,592 1,593 1.657,594 101.259,595 0.034,596 -0.054,597 0.204,598 -0.101,599 -0.093,600 0.018,601 0.499,602 0.171,603 0.286,604 -0.091,605 0.408,606 -0.043,607 0.512,608 0.154,609 0.197,610 0.107,611 0.519,612 0.041,613 0.075,614 -0.057,615 0.063,616 -0.076,617 0.101,618 -0.023,619 0.025,620 -0.15,621 0.145,622 -0.043,623 0.058,624 0.052,625 -0.09,626 -0.098,627 0.015,628 -0.013,629 -0.067,630 0.033,631 -0.116,632 -0.171,633 0.004,634 -0.071,635 -0.114,636 0.036,637 -0.238,638 -0.185,639 -0.216,640 -0.124,641 -0.272,642 -0.127,643 6.673,644 4.337,645 0.455,646 17.818,647 1.038,648 1.155,649 2.82,650 7.953,651 0.636,652 3.178,653 3.555,654 3.714,655 3.807,656 4.078,657 4.127,658 4.263,659 4.419,660 4.394,661 4.174,662 5.605,663 0.619,664 337.4,665 3.178,666 4.745,667 5.572,668 6.46,669 7.321,670 8.206,671 9.079,672 9.964,673 10.842,674 11.728,675 2.5,677 1,688 3,693 3,695 6,714 40,716 8,717 1,718 23,720 41,721 14,722 6,723 3,724 3,730 2,731 3,736 1,740 4,743 5,745 6,746 8,750 2,753 1,755 2,762 3,764 18,765 7,766 1,767 8,768 1,773 1,777 0.5,778 3,793 2,797 1,814 1,819 1,821 1,823 1,825 3,827 22,831 1,833 5,834 1,835 1,837 1,839 1,846 3,847 7.5,850 2,852 1,854 12.833,855 7.179,856 4.715,857 2.572,858 1.357,859 1.206,860 0.947,861 5.159,862 7.936,863 3.367,864 3.961,865 4.307,866 4.658,867 5.179,868 5.373,869 5.684,870 6.004,871 5.963,872 5.764,873 1,874 34,875 10.583,877 4.9135,878 8.591,879 15.023,881 12.59,883 3.091,884 68,888 200.109,889 74.987,890 18.011,892 52.858,893 44.88,894 7.75,895 67.237,896 252.967,897 62.891,898 8.825,899 12.244,900 54.189,901 44.313,902 65.04,904 200.109,905 6.125,906 200.109,907 85.248,908 97.739,909 7.75,911 129.482,912 123.485,913 44.88,914 6.125,915 39.08,916 40.043,917 7.75,919 244.989,920 70.869,921 74.987,923 7.75,924 206.233,925 23.858,926 37.254,927 18.011,928 97.739,929 200.109,930 115.749,931 74.987,933 0.6,934 0.332,935 0.138,936 0.083,937 16,938 8,939 0.122,940 5,941 1,942 1.2,943 3.264,944 164.756,945 0.2,946 10,947 91.353,950 1,951 17.266,952 6.573,953 4.23,955 115.749,956 4.285,961 1.549,963 18.011,964 390.845,965 28,968 -5.621,970 22.071,975 41.534,976 46.218,977 0.352,978 0.645,979 0.83,980 0.899,981 0.899,982 0.899,983 4.659,984 0.804,985 5.666,986 2.664,987 4.234,988 4.644,989 4.156,990 6.581,991 4.076,992 5.922,993 0.296,994 7.323,995 1.845,996 4.29,997 4.966,998 4.961,999 8.1,1000 3.913,1001 7.312,1002 -0.044,1003 9.119,1004 0.503,1005 6.043,1006 6.968,1007 7.403,1008 11.115,1009 5.667,1010 8.746,1011 -0.436,1012 11.003,1013 -0.121,1014 6.858,1015 8.047,1016 8.78,1017 13.424,1018 6.224,1019 10.22,1020 -0.722,1021 12.946,1022 -0.982,1023 8.256,1024 9.71,1025 10.87,1026 16.167,1027 7.58,1028 11.723,1029 -1,1030 14.932,1031 -2.15,1032 9.368,1033 11.066,1034 12.462,1035 18.725,1036 8.447,1037 13.248,1038 -1,1039 16.946,1040 -2.184,1041 10.675,1042 12.636,1043 14.399,1044 21.411,1045 9.653,1046 3.69,1047 -1,1048 18.983,1049 -3,1050 11.9,1051 14.095,1052 16.093,1053 24.046,1054 10.656,1055 2.963,1056 14.439,1057 21.034,1058 -3,1059 13.189,1060 15.639,1061 17.956,1062 26.718,1063 11.803,1064 2.427,1065 9.384,1066 23.097,1067 4.698,1068 14.458,1069 17.141,1070 19.7,1071 29.376,1072 12.866,1073 2.203,1074 7.289,1075 25.168,1076 3.91,1077 15.748,1078 18.678,1079 21.527,1080 32.046,1081 13.991,1082 1.888,1083 6.653,1084 27.245,1085 2.866,1086 17.034,1087 20.2,1088 23.296,1089 34.712,1090 15.081,1091 1.576,1092 5.765,1093 29.326,1094 2.397,1095 18.329,1096 21.737,1097 25.105,1098 37.382,1099 16.197,1100 1.411,1101 4.308,1102 31.41,1103 2.334,1104 19.624,1105 23.268,1106 26.886,1107 40.05,1108 17.299,1109 4581,1110 9323,1111 14.099,1112 25.443,1113 34.393,1114 35.689,1115 35.965,1116 34.753,1117 34.514,1118 41.733,1119 16.64,1120 105.7,1121 31.88,1122 5.944,1123 7.697,1124 7.967,1125 5.574,1126 5.69,1127 7.698,1128 10.217,1129 22.669,1130 5.091,1131 14.176,1132 1.495,1133 1.552,1134 1.564,1135 1.511,1136 1.501,1137 1.814,1138 0.723,1139 4.596,1140 1.386,1141 4.057,1142 4.062,1143 4.739,1144 3.982,1145 8.518,1146 3.959,1147 3.908,1148 3.862,1149 3.927,1150 3.833,1151 7.999,1152 3.724,1153 3.66,1154 3.726,1155 3.525,1156 3.503,1157 7.999,1158 3.494,1159 3.459,1160 3.521,1161 3.294,1162 3.332,1163 7.707,1164 3.31,1165 3.146,1166 3.229,1167 3.079,1168 2.997,1169 6.999,1170 2.978,1171 2.969,1172 3.066,1173 2.957,1174 2.748,1175 4.786,1176 2.74,1177 2.919,1178 2.938,1179 2.755,1180 2.563,1181 4.349,1182 2.573,1183 2.684,1184 2.756,1185 2.541,1186 2.473,1187 4.133,1188 2.447,1189 0.217,1190 0.248,1191 0.352,1192 0.196,1193 0.16,1194 4.999,1195 0.204,1196 5.697,1197 0.261,1198 8.104,1199 0.628,1200 4.515,1201 0.134,1202 3.69,1203 4.698,1204 6.006,1205 14.439,1206 3.091,1207 1.997,1208 1.975,1209 2.122,1210 2.094,1211 1.439,1212 2.108,1213 1.678,1214 1.705,1215 1.92,1216 1.877,1217 1.154,1218 1.895,1219 1.597,1220 1.574,1221 1.722,1222 1.798,1223 0.927,1224 1.821,1225 1.456,1226 1.411,1227 1.484,1228 1.628,1229 0.76,1230 1.649,1231 1.166,1232 1.092,1233 1.356,1234 1.382,1235 0.626,1236 1.421,1237 0.97,1238 0.869,1239 1.115,1240 1.239,1241 0.497,1242 1.285,1243 0.724,1244 0.664,1245 1.059,1246 1.04,1247 0.263,1248 0.988,1249 0.688,1250 0.6,1251 0.988,1252 0.926,1253 0.11,1254 0.966,1255 3.85,1257 5.209,1259 6.76,1261 8.398,1263 10.079,1265 2.053,1267 37.01,1271 4.282,1272 3.365,1273 4.176,1275 0.252,1277 -5.423,1280 24.771,1281 75.006,1282 137.309,1283 176.612,1284 191.367,1285 191.367,1286 191.367,1287 57.705,1288 6.579,1289 55.4,1290 63.78,1291 12,1292 12.261,1293 3.17,1294 2.585,1295 42.284,1296 75,1297 84,1298 0.291,1299 155.003,1300 281.31,1301 369.967,1302 5223,1303 7.5,1304 16.38,1305 0.745,1306 0.588,1307 14.13,1308 12.928,1309 10.226,1310 0.445,1311 0.369,1312 7.058,1313 8.934,1314 6.832,1315 5.653,1316 9.903,1317 8.494,1318 10.359,1319 0.305,1320 0.201,1321 10.168,1322 6.845,1323 7.625,1324 0.191,1325 0.114,1326 6.148,1327 4.557,1328 5.057,1329 0.115,1330 0.067,1331 5.421,1332 2.933,1333 4.343,1334 0.075,1335 0.039,1336 4.364,1337 2.243,1338 0.451,1339 73.843,1340 0.266,1341 21.627,1342 0.809,1343 114,1344 562.733,1345 187.525,1346 471.836,1347 597.89,1348 428,1349 131,1350 379.432,1351 200.554,1352 400.348,1353 608.94,1354 371,1355 6.686} {0 CHEMBL555146,1 1.455,2 11.538,3 4.982,4 24.816,5 100.619,6 7.322,7 0.552,8 3.963,9 4.071,10 3.524,11 3.553,12 5.026,13 3.522,14 4.532,15 4.697,16 3.902,17 3.957,18 5.568,19 3.91,20 4.811,21 5.028,22 3.88,23 4.055,24 5.846,25 3.97,26 4.815,27 5.046,28 3.714,29 3.993,30 5.811,31 3.87,32 4.709,33 4.972,34 3.639,35 3.875,36 5.615,37 3.753,38 4.578,39 4.794,40 3.695,41 3.8,42 5.749,43 3.715,44 4.492,45 4.702,46 3.547,47 3.742,48 5.464,49 3.65,50 4.398,51 4.613,52 3.413,53 3.631,54 5.42,55 3.53,56 0.001,57 0.7,58 9.743,59 4.853,60 5.087,61 6.081,62 0.075,63 1.196,64 19.003,65 8.13,66 16.242,67 10.51,68 0.281,69 1.498,70 27.763,71 10.624,72 44.181,73 13.754,74 0.346,75 1.393,76 28.644,77 11.238,78 54.378,79 14.687,80 0.195,81 1.215,82 26.045,83 10.172,84 38.433,85 14.033,86 0.411,87 1.1,88 22.316,89 8.72,90 69.323,91 11.483,92 0.203,93 1.052,94 20.064,95 7.906,96 27.507,97 10.21,98 0.183,99 1.009,100 18.428,101 7.401,102 33.049,103 9.368,104 10,105 41,106 0.246,107 0.567,108 0.75,109 0.856,110 0.865,111 0.865,112 3.304,113 0.948,114 -5.16,115 -5.05,116 -4.73,119 45.8,120 1,121 3,125 2,127 1,140 8,141 3,142 1,150 2,155 1,169 10,172 10,178 12,182 6,189 12,192 1,193 6,199 14,203 2,211 11,214 1,215 6,222 9,226 5,233 6,237 2,244 8,248 1,249 1,256 8,259 998,260 17.602,261 17.602,262 17.602,263 17.602,264 17.602,265 15.687,266 14.404,267 10.229,268 17.758,269 14.293,270 14.293,271 14.293,272 14.293,273 14.293,274 11.314,275 15.179,276 4.875,277 14.552,278 4.129,279 2.235,280 1.156,281 0.531,282 0.474,283 0.474,284 4,288 1,289 1,290 657,291 3,294 135.411,295 157.214,298 107.622,302 2.077,303 27.72,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56,315 300,316 4.521,317 3.586,318 6.442,319 4.091,320 3.082,321 4.45,322 0.8,323 9.955,324 3.109,325 4.252,326 3.112,327 6.204,328 3.877,329 2.873,330 3.839,332 9.247,333 2.891,334 3.836,335 3.006,336 6.035,337 3.752,338 2.805,339 3.316,341 8.591,342 2.646,343 3.797,344 2.883,345 5.307,346 3.374,347 2.405,348 2.861,350 6.703,351 2.327,352 3.468,353 2.37,354 5.102,355 3.109,356 2.122,357 2.76,359 6.122,360 2.084,361 3.215,362 1.997,363 4.904,364 2.819,365 1.838,366 2.476,368 5.507,369 1.79,370 3.015,371 1.8,372 4.421,373 2.523,374 1.524,375 2.263,377 4.306,378 1.523,379 2.523,380 1.543,381 4.127,382 2.352,383 1.386,384 1.5,386 3.644,387 1.335,388 2.5,389 1.503,390 3.691,391 2.108,392 1.122,393 1.445,395 2.429,396 1.104,397 2.418,398 1.189,399 3.427,400 2,401 1,402 1.357,404 2.28,405 1,406 2.124,407 1,408 3.414,409 1.954,410 0.911,411 1.124,413 2.275,414 0.939,415 1.889,416 0.592,417 3.148,418 1.454,419 0.472,420 0.563,422 1.141,423 0.462,424 1.563,425 0.466,426 3.093,427 1.381,428 0.374,429 0.503,431 0.984,432 0.376,433 1.114,434 0.408,435 2.509,436 0.677,437 -0.258,438 -0.33,440 -0.557,441 -0.231,442 0.837,443 -0.249,444 2.303,445 0.506,446 -0.481,447 -0.517,449 -1.157,450 -0.472,451 12.352,452 0.475,453 0.661,454 0.025,455 31.75,456 1.221,457 15.5,458 0.596,459 16.25,460 0.625,461 21.745,462 0.836,463 27.848,464 0.58,465 22.304,466 0.858,467 6.096,468 0.234,469 6.501,470 0.25,471 0.091,473 0.356,477 1,479 0.601,480 1.055,481 0.755,482 1.057,483 0.507,484 0.959,485 0.754,486 1.024,487 0.844,488 1.03,489 0.512,490 0.959,491 1.081,492 0.913,493 1.043,494 0.965,495 0.791,496 0.979,497 0.99,498 0.872,499 1.057,500 1.014,501 1.027,502 1.048,503 0.612,504 0.731,505 0.732,506 0.856,507 0.676,508 0.827,509 0.72,510 0.837,511 0.816,512 0.926,513 0.529,514 0.902,515 1.049,516 0.939,517 1.033,518 0.986,519 0.581,520 1.007,521 1.158,522 1.09,523 1.101,524 1.071,525 1.125,526 1.077,527 5.5,528 0.12,529 3.333,530 1.924,531 1.161,532 0.663,533 0.575,534 0.405,535 0.189,536 0.137,537 8917,538 21723,539 2.124,540 45.8,542 13,546 2,547 7,550 1.686,551 2,552 3.489,553 -0.836,559 69.863,560 1.455,561 3.349,562 4.429,563 5.054,564 5.111,565 5.111,566 2.988,567 4.547,568 4.669,569 3.679,570 1195.56,571 8.067,572 15245.9,574 1,577 268.078,578 1.37,579 4.637,580 0.19,581 0.009,582 0.081,583 0.051,584 0.037,585 0.022,586 0.019,587 0.015,588 0.008,589 0.008,590 0.439,591 0.5,592 1,593 0.54,594 128.895,596 -0.068,597 0.058,598 -0.021,599 -0.012,600 0.018,601 -0.019,602 -0.057,603 0.04,604 -0.045,605 0.058,606 0.002,607 -0.11,608 0.053,609 -0.077,610 -0.003,611 0.031,612 -0.021,613 -0.049,614 -0.017,615 -0.082,616 -0.038,617 -0.047,618 -0.063,619 0.05,620 0.026,621 0.23,622 0.114,623 0.029,624 0.188,625 0.247,626 0.008,627 0.157,628 0.051,629 0.26,630 0.079,631 -0.106,632 -0.058,633 -0.075,634 -0.014,635 -0.009,636 -0.037,637 -0.109,638 -0.065,639 -0.124,640 -0.079,641 -0.087,642 -0.1,643 2.01,644 5.584,645 0.769,646 27.03,647 1,648 1.121,649 3.928,650 15.432,651 0.671,652 3.401,653 3.738,654 4.007,655 4.234,656 4.394,657 4.477,658 4.625,659 4.787,660 4.836,661 4.934,662 6.827,663 0.638,664 351.45,665 3.401,666 4.949,667 5.802,668 6.676,669 7.543,670 8.419,671 9.292,672 10.17,673 11.046,674 11.926,675 2.1,678 1,687 2,688 8,691 1,693 4,695 16,700 1,713 1,714 48,716 17,717 2,718 29,720 51,721 22,722 14,723 5,724 7,725 1,730 4,731 5,736 1,740 3,743 4,745 15,746 7,750 1,755 1,759 1,762 1,763 1,764 22,765 4,767 4,773 1,777 0.75,778 2,789 1,792 2,793 2,796 1,815 1,819 3,823 1,825 1,827 26,833 5,837 1,838 1,846 1,847 4.2,850 1,852 1,854 13,855 8.926,856 5.611,857 3.157,858 3.007,859 1.4,860 1.002,861 4.712,862 10.526,863 3.664,864 4.273,865 4.872,866 5.448,867 5.971,868 6.305,869 6.739,870 7.155,871 7.332,872 7.689,873 0.875,874 38,875 9.689,877 4.223,878 7.769,879 18.708,881 15.891,883 2.269,884 59,887 1,888 258.964,889 129.934,890 3.124,892 34.652,893 14.96,895 129.934,896 293.617,897 18.084,898 8.825,899 11.815,900 75.81,901 30.278,902 30.697,903 25.245,904 258.964,906 258.964,907 133.058,908 49.612,911 191.527,912 117.05,915 23.765,916 109.294,919 273.924,920 37.777,921 129.934,924 258.964,925 45.299,926 87.759,928 49.612,929 258.964,930 52.737,931 129.934,933 0.59,934 0.345,935 0.174,936 0.088,937 21,938 9,939 0.098,940 5,941 1,942 1.1,943 3.922,944 217.194,945 0.1,946 20,947 118.211,951 17.144,952 7.146,953 3.652,954 1.729,955 52.737,956 13.129,959 5.932,961 1.677,964 441.635,965 38,970 12.584,974 -0.111,975 47.989,976 53.824,977 0.261,978 0.6,979 0.793,980 0.905,981 0.915,982 0.915,983 4.905,984 1.386,985 5.79,986 4.306,987 4.419,988 4.959,989 0.673,990 6.586,991 4.39,992 6.109,993 1.122,994 7.344,995 3.644,996 4.007,997 4.783,998 0.325,999 7.431,1000 3.955,1001 7.415,1002 1,1003 8.993,1004 2.429,1005 6.009,1006 7.171,1007 0.379,1008 10.502,1009 5.959,1010 8.757,1011 0.911,1012 10.697,1013 2.28,1014 6.415,1015 7.838,1016 0.268,1017 12.157,1018 6.355,1019 10.13,1020 0.472,1021 12.435,1022 2.275,1023 7.874,1024 9.701,1025 0.239,1026 14.726,1027 7.816,1028 11.525,1029 0.374,1030 14.196,1031 1.141,1032 8.646,1033 10.77,1034 0.188,1035 16.717,1036 8.589,1037 12.938,1038 -0.258,1039 15.975,1040 0.984,1041 9.887,1042 12.415,1043 0.156,1044 19.104,1045 9.833,1046 3.082,1047 -0.481,1048 17.766,1049 -0.557,1050 10.83,1051 13.689,1052 0.125,1053 21.244,1054 10.783,1055 2.873,1056 9.955,1057 19.567,1058 -1.157,1059 11.982,1060 15.238,1061 0.102,1062 23.56,1063 11.94,1064 2.805,1065 9.247,1066 21.376,1067 4.45,1068 13.004,1069 16.616,1070 0.082,1071 25.768,1072 12.973,1073 2.405,1074 8.591,1075 23.191,1076 3.839,1077 14.12,1078 18.124,1079 0.066,1080 28.056,1081 14.097,1082 2.122,1083 6.703,1084 25.01,1085 3.316,1086 15.18,1087 19.555,1088 0.054,1089 30.298,1090 15.17,1091 1.838,1092 6.122,1093 26.834,1094 2.861,1095 16.284,1096 21.046,1097 0.043,1098 32.576,1099 16.284,1100 1.524,1101 5.507,1102 28.661,1103 2.76,1104 17.364,1105 22.504,1106 0.035,1107 34.835,1108 17.377,1109 8384,1110 13308,1111 19.592,1112 32.228,1113 44.175,1114 45.32,1115 45.115,1116 43.945,1117 43.828,1118 56.912,1119 1.6,1120 126.368,1121 43.172,1122 5.47,1123 5.586,1124 5.975,1125 5.121,1126 5.082,1127 7.45,1128 1.2,1129 16.798,1130 5.109,1131 11.57,1132 1.523,1133 1.563,1134 1.556,1135 1.515,1136 1.511,1137 1.962,1138 0.055,1139 4.358,1140 1.489,1141 4.125,1142 4.133,1143 4.09,1144 4.036,1145 8.201,1146 4.047,1147 3.906,1148 3.945,1149 3.86,1150 3.827,1151 7.427,1152 3.831,1153 3.875,1154 3.921,1155 3.755,1156 3.725,1157 5.117,1158 3.722,1159 3.532,1160 3.567,1161 3.458,1162 3.416,1163 4.602,1164 3.417,1165 3.262,1166 3.301,1167 3.154,1168 3.096,1169 4.386,1170 3.103,1171 3.17,1172 3.27,1173 2.919,1174 2.988,1175 4.295,1176 2.955,1177 3.038,1178 3.085,1179 2.906,1180 2.906,1181 3.83,1182 2.901,1183 2.854,1184 2.925,1185 2.755,1186 2.735,1187 3.734,1188 2.715,1189 0.156,1190 0.124,1191 0.222,1192 0.141,1193 0.106,1194 4.521,1195 0.153,1196 3.586,1197 0.028,1198 6.442,1199 0.343,1200 4.091,1201 0.107,1202 3.082,1203 4.45,1204 0.8,1205 9.955,1206 3.109,1207 1.973,1208 1.96,1209 2.049,1210 2.049,1211 1.25,1212 2.048,1213 1.838,1214 1.816,1215 1.94,1216 1.923,1217 1.211,1218 1.927,1219 1.703,1220 1.649,1221 1.918,1222 1.905,1223 1.161,1224 1.91,1225 1.615,1226 1.554,1227 1.872,1228 1.785,1229 1.03,1230 1.822,1231 1.438,1232 1.381,1233 1.685,1234 1.647,1235 0.927,1236 1.656,1237 1.161,1238 1.16,1239 1.381,1240 1.348,1241 0.501,1242 1.337,1243 1.082,1244 1.013,1245 1.249,1246 1.304,1247 0.417,1248 1.297,1249 0.886,1250 0.821,1251 1.215,1252 1.107,1253 0.272,1254 1.161,1255 4.078,1257 5.407,1258 3.045,1259 6.915,1260 5.352,1261 8.499,1262 7.38,1263 10.125,1265 2.277,1267 13.045,1271 5.589,1275 0.652,1276 2.497,1280 30.629,1281 69.863,1282 160.775,1283 212.568,1284 242.568,1285 245.323,1286 245.323,1287 46.505,1288 7.52,1289 33.45,1290 33.45,1291 22,1292 12.463,1293 4.17,1294 3.322,1295 38.254,1296 107,1297 102,1298 0.176,1299 184.794,1300 320.55,1301 442.658,1302 19401,1303 2.1,1304 18.096,1305 0.696,1306 0.572,1307 17.225,1308 14.873,1309 12.597,1310 0.434,1311 0.316,1312 9.071,1313 12.188,1314 8.861,1315 7.299,1316 12.204,1317 9.168,1318 11.555,1319 0.282,1320 0.173,1321 10.934,1322 7.079,1323 9.985,1324 0.185,1325 0.098,1326 9.574,1327 5.272,1328 7.925,1329 0.117,1330 0.055,1331 7.773,1332 3.709,1333 6,1334 0.075,1335 0.028,1336 5.783,1337 2.261,1338 0.28,1339 78.419,1340 0.226,1341 25.473,1342 0.469,1343 140,1344 425.227,1345 152.557,1346 384.489,1347 521.3,1348 360,1349 165,1350 381.707,1351 177.219,1352 379.276,1353 556.42,1354 359,1355 5.195} {0 CHEMBL56,1 1.238,2 7.111,3 4.262,4 18.165,5 77.174,6 5.754,7 0.316,8 3.799,9 3.942,10 3.134,11 3.319,12 4.682,13 3.239,14 4.395,15 4.619,16 3.44,17 3.722,18 5.152,19 3.601,20 4.705,21 4.971,22 3.547,23 3.896,24 5.42,25 3.748,26 4.788,27 5.055,28 3.482,29 3.941,30 5.489,31 3.765,32 4.863,33 5.153,34 3.357,35 3.947,36 5.518,37 3.724,38 4.85,39 5.179,40 3.156,41 3.836,42 5.442,43 3.582,44 4.651,45 4.98,46 2.905,47 3.603,48 5.312,49 3.345,50 4.305,51 4.625,52 2.568,53 3.241,54 5.075,55 2.991,56 0.06,57 0.581,58 10.864,59 4.469,60 7.468,61 6.418,62 0.122,63 0.959,64 18.887,65 7.181,66 12.613,67 10.694,68 0.191,69 1.204,70 25.053,71 9.12,72 19.362,73 13.713,74 0.216,75 1.266,76 27.002,77 10.046,78 21.267,79 14.87,80 0.247,81 1.289,82 28.137,83 11.155,84 24.591,85 16.202,86 0.19,87 1.203,88 26.834,89 10.463,90 21.882,91 15.404,92 0.175,93 0.947,94 21.92,95 8.502,96 23.337,97 12.355,98 0.136,99 0.654,100 15.598,101 5.924,102 23.987,103 8.552,104 19,105 25,106 0.223,107 0.497,108 0.735,109 0.795,110 0.795,111 0.795,112 2.961,113 1.152,114 -4.78,115 -4.69,116 -4.4,119 37.2,120 2,121 5,125 2,127 1,140 3,141 2,142 1,169 9,172 4,176 2,178 9,182 4,186 3,189 8,193 1,197 2,199 8,203 2,206 1,208 1,211 11,215 1,222 7,231 2,233 6,242 2,244 6,256 2,259 352,260 12.361,261 12.361,262 12.361,263 12.361,264 12.361,265 11.557,266 14.227,267 7.588,268 12.505,269 9.307,270 9.307,271 9.307,272 9.307,273 9.307,274 8.128,275 16.168,276 3.403,277 9.573,278 4.188,279 2.663,280 1.344,281 1.012,282 1.012,283 1.012,284 3.618,288 1,289 1,290 261,291 3,295 87.704,299 75.057,302 1.123,303 10.519,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 37.5,315 128,316 4.376,317 3.319,318 6.504,319 4.057,320 3.075,321 4.013,322 0.8,323 10.17,324 3.021,325 3.771,326 2.977,327 6.077,328 3.65,329 2.707,330 2.802,332 8.797,333 2.548,334 3.303,335 2.32,336 5.036,337 2.974,338 2.004,339 2.544,341 5.701,342 1.936,343 2.928,344 1.851,345 4.453,346 2.671,347 1.69,348 2.08,350 4.441,351 1.655,352 2.607,353 1.5,354 4.026,355 2.377,356 1.382,357 1.614,359 3.375,360 1.375,361 2.247,362 1.298,363 3.365,364 2.237,365 1.247,366 1.247,368 2.126,369 1.233,370 2.023,371 1.168,372 3.247,373 1.906,374 0.923,375 0.992,377 2.117,378 0.904,379 1.671,380 0.741,381 2.838,382 1.623,383 0.646,384 0.657,386 1.015,387 0.63,388 1.105,389 0.142,390 2.399,391 0.82,392 -0.132,393 -0.152,395 -0.294,396 -0.124,397 0.739,398 -0.287,399 2.271,400 0.521,401 -0.445,402 -0.445,404 -0.632,405 -0.428,406 0.555,407 -0.366,408 2.163,409 0.445,410 -0.544,411 -0.654,413 -1.242,414 -0.535,415 0.307,416 -0.547,417 1.781,418 0.162,419 -0.809,420 -0.872,422 -1.851,423 -0.781,424 0.021,425 -0.988,426 1.555,427 -0.085,428 -1.072,429 -1.125,431 -2.522,432 -1.056,433 -0.113,434 -1.239,435 1.335,436 -0.42,437 -1.375,438 -1.747,440 -3.562,441 -1.312,442 -0.404,443 -1.386,444 1.259,445 -0.616,446 -1.581,447 -1.802,449 -4.463,450 -1.532,451 8.733,452 0.485,453 0.328,454 0.018,455 17,456 0.944,457 6.5,458 0.361,459 10.5,460 0.583,461 18.383,462 1.021,463 21.267,464 0.495,465 8.981,466 0.499,467 2.794,468 0.155,469 5.964,470 0.331,471 0.153,473 0.275,479 1.01,480 1.404,481 1.106,482 1.257,483 1.006,484 1.201,485 0.899,486 1.211,487 1.055,488 1.115,489 0.546,490 1.088,491 1.057,492 1.047,493 1,494 0.984,495 0.744,496 0.976,497 1.218,498 1.077,499 1.141,500 1.083,501 1.033,502 1.096,503 0.804,504 1.082,505 1.046,506 1.102,507 0.94,508 1.1,509 0.691,510 0.895,511 0.887,512 0.925,513 0.692,514 0.921,515 0.981,516 0.839,517 0.9,518 0.889,519 1.18,520 0.894,521 1.279,522 0.883,523 0.962,524 0.933,525 1.5,526 0.933,527 3,529 2.222,530 1,531 0.947,532 0.604,533 0.285,534 0.205,535 0.066,536 0.031,537 2425,538 4210,539 1.994,540 58.1,541 8,542 8,545 1,547 8,550 1.592,551 1.862,552 2.873,553 -0.389,555 1,559 53.233,560 1.238,561 2.763,562 4.083,563 4.414,564 4.414,565 4.414,566 2.288,567 3.572,568 4.14,569 2.978,570 455.694,571 7.051,572 4287.13,574 1,576 1,577 233.329,578 1.415,579 4.096,580 0.158,582 0.089,583 0.037,584 0.039,585 0.03,586 0.018,587 0.017,588 0.008,589 0.016,590 0.412,591 0.67,592 1,593 1.599,594 75.455,595 -0.02,596 -0.094,597 0.032,598 -0.003,599 -0.061,600 0.012,601 -0.015,602 -0.031,603 0.007,604 -0.022,605 0.06,606 -0.007,607 -0.027,608 0.033,609 0.028,610 0.019,611 0.042,612 0.03,613 -0.101,614 -0.027,615 -0.12,616 -0.081,617 -0.046,618 -0.096,619 0.062,620 -0.12,621 -0.086,622 -0.111,623 -0.018,624 -0.113,625 0.018,626 0.003,627 0.027,628 0.004,629 0.013,630 0.015,631 -0.017,632 0.025,633 0.024,634 0.027,635 -0.059,636 0.029,637 -0.042,638 -0.029,639 -0.016,640 -0.02,641 0.012,642 -0.017,643 1.176,644 3.997,645 0.556,646 12.173,647 0.977,648 1.132,649 3.546,650 12.573,651 0.619,652 2.996,653 3.258,654 3.526,655 3.761,656 3.97,657 3.97,658 4.025,659 4.025,660 3.932,661 3.526,662 4.49,663 0.559,664 247.42,665 2.996,666 4.489,667 5.323,668 6.184,669 7.045,670 7.916,671 8.786,672 9.66,673 10.534,674 11.41,675 2.3,678 1,688 3,693 3,695 6,711 1,714 43,716 6,717 1,718 19,720 44,721 16,722 6,723 3,724 3,730 2,731 3,736 2,740 4,743 6,745 6,746 10,761 1,764 25,765 2,766 1,767 2,773 1,777 0.5,778 1,793 2,797 1,815 1,819 1,823 2,827 18,832 1,833 7,837 1,838 1,847 2.3,849 1,854 9.667,855 7.983,856 4.25,857 3.164,858 1.226,859 1.199,860 0.909,861 4.788,862 7.389,863 3.135,864 3.597,865 4.073,866 4.526,867 4.964,868 5.006,869 5.15,870 5.339,871 5.515,872 5.266,873 0.8,874 27,875 6.714,877 2.72,878 7.435,879 13.556,881 11.213,883 1.935,884 34.833,885 0.005,888 282.506,889 69.334,890 3.124,892 42.683,895 69.334,896 325.19,897 3.124,898 17.65,899 16.884,900 28.429,901 42.683,902 9.495,904 282.506,906 282.506,907 72.459,908 42.683,911 188.338,912 136.852,915 37.659,916 34.8,919 282.506,920 45.808,921 69.334,924 282.506,925 23.255,926 49.203,928 42.683,929 282.506,930 45.808,931 69.334,933 0.552,934 0.334,935 0.193,936 0.108,937 11,938 5,939 0.114,940 5,941 1,942 1.2,943 2.973,944 123.827,945 0.2,946 10,947 69.059,951 13.572,952 6.351,953 3.139,955 45.808,956 5.949,961 3.023,963 42.683,964 397.648,965 22,975 42.032,976 48.69,977 0.228,978 0.509,979 0.752,980 0.814,981 0.814,982 0.814,983 4.35,984 0.646,985 5.283,986 2.117,987 3.932,988 4.277,989 0.673,990 6.08,991 3.877,992 5.486,993 -0.132,994 6.832,995 1.015,996 3.434,997 3.98,998 0.325,999 6.986,1000 3.317,1001 6.76,1002 -0.445,1003 8.489,1004 -0.294,1005 5.493,1006 6.312,1007 0.379,1008 10.084,1009 5.378,1010 8.071,1011 -0.544,1012 10.21,1013 -0.632,1014 5.861,1015 6.887,1016 0.268,1017 11.821,1018 5.689,1019 9.422,1020 -0.809,1021 11.971,1022 -1.242,1023 7.362,1024 8.712,1025 0.239,1026 14.414,1027 7.192,1028 10.799,1029 -1.072,1030 13.757,1031 -1.851,1032 8.132,1033 9.693,1034 0.188,1035 16.475,1036 7.921,1037 12.196,1038 -1.375,1039 15.562,1040 -2.522,1041 9.4,1042 11.303,1043 0.156,1044 18.888,1045 9.185,1046 3.075,1047 -1.581,1048 17.379,1049 -3.562,1050 10.355,1051 12.482,1052 0.125,1053 21.085,1054 10.11,1055 2.707,1056 10.17,1057 19.205,1058 -4.463,1059 11.525,1060 13.99,1061 0.102,1062 23.43,1063 11.273,1064 2.004,1065 8.797,1066 21.038,1067 4.013,1068 12.564,1069 15.269,1070 0.082,1071 25.686,1072 12.29,1073 1.69,1074 5.701,1075 22.876,1076 2.802,1077 13.695,1078 16.724,1079 0.066,1080 28.005,1081 13.411,1082 1.382,1083 4.441,1084 24.719,1085 2.544,1086 14.772,1087 18.053,1088 0.054,1089 30.289,1090 14.471,1091 1.247,1092 3.375,1093 26.564,1094 2.08,1095 15.89,1096 19.48,1097 0.043,1098 32.6,1099 15.577,1100 0.923,1101 2.126,1102 28.413,1103 1.614,1104 16.986,1105 20.837,1106 0.035,1107 34.897,1108 16.658,1109 2542,1110 3431,1111 12.425,1112 26.597,1113 27.325,1114 27.469,1115 28.988,1116 27.408,1117 27.346,1118 31.898,1119 1.6,1120 75.486,1121 26.604,1122 5.321,1123 5.319,1124 6.306,1125 5.057,1126 5.075,1127 7.013,1128 1.2,1129 16.855,1130 5.021,1131 8.825,1132 1.438,1133 1.446,1134 1.526,1135 1.443,1136 1.439,1137 1.679,1138 0.084,1139 3.973,1140 1.4,1141 4.021,1142 4.056,1143 3.952,1144 3.949,1145 6.469,1146 3.945,1147 3.744,1148 3.808,1149 3.62,1150 3.588,1151 4.63,1152 3.585,1153 3.501,1154 3.586,1155 3.3,1156 3.348,1157 4.302,1158 3.324,1159 3.468,1160 3.532,1161 3.279,1162 3.343,1163 4.04,1164 3.32,1165 3.158,1166 3.234,1167 2.995,1168 3,1169 3.999,1170 2.988,1171 3.002,1172 3.098,1173 2.788,1174 2.791,1175 3.652,1176 2.777,1177 2.775,1178 2.836,1179 2.576,1180 2.589,1181 3.5,1182 2.572,1183 2.699,1184 2.832,1185 2.483,1186 2.492,1187 3.283,1188 2.48,1189 0.23,1190 0.175,1191 0.342,1192 0.214,1193 0.162,1194 4.376,1195 0.211,1196 3.319,1197 0.042,1198 6.504,1199 0.535,1200 4.057,1201 0.159,1202 3.075,1203 4.013,1204 0.8,1205 10.17,1206 3.021,1207 1.996,1208 1.969,1209 2.126,1210 2.098,1211 1.46,1212 2.109,1213 1.726,1214 1.661,1215 1.961,1216 1.91,1217 1.219,1218 1.929,1219 1.539,1220 1.459,1221 1.861,1222 1.738,1223 1.09,1224 1.785,1225 1.488,1226 1.428,1227 1.729,1228 1.653,1229 0.908,1230 1.683,1231 1.166,1232 1.096,1233 1.483,1234 1.389,1235 0.76,1236 1.426,1237 1.012,1238 0.915,1239 1.383,1240 1.268,1241 0.556,1242 1.311,1243 0.759,1244 0.691,1245 1.24,1246 1.062,1247 0.403,1248 1.131,1249 0.758,1250 0.629,1251 1.081,1252 1.043,1253 0.29,1254 1.034,1255 3.664,1257 4.934,1259 6.431,1261 8.039,1263 9.703,1265 4.494,1270 9.997,1271 8.147,1275 0.616,1276 2.607,1280 24.058,1281 53.233,1282 118.826,1283 175.555,1284 189.82,1285 189.82,1286 189.82,1287 28.535,1288 6.163,1289 23.47,1290 23.47,1291 12,1292 11.949,1293 2.807,1294 2,1295 30.816,1296 48,1297 46,1298 0.331,1299 151.469,1300 261.61,1301 361.346,1302 2975,1304 12.958,1305 0.72,1306 0.647,1307 12.958,1308 11.654,1309 8.758,1310 0.461,1311 0.384,1312 7.251,1313 8.588,1314 7.012,1315 5.899,1316 8.758,1317 7.296,1318 7.243,1319 0.29,1320 0.214,1321 7.243,1322 5.347,1323 6.04,1324 0.183,1325 0.12,1326 6.04,1327 3.973,1328 5.059,1329 0.12,1330 0.074,1331 5.059,1332 3.114,1333 4.064,1334 0.078,1335 0.045,1336 4.064,1337 2.317,1338 0.496,1339 53.698,1340 0.284,1341 17.819,1342 0.971,1343 88,1344 175.795,1345 92.518,1346 174.276,1347 241.59,1348 164,1349 102,1350 178.495,1351 106.824,1352 182.367,1353 266.56,1354 173,1355 6.862} {0 CHEMBL56898,1 1.39,2 6.308,3 0.6,4 0.36,5 53.77,6 6.741,7 0.429,8 3.35,9 3.503,10 2.831,11 2.87,12 4.397,13 2.835,14 3.851,15 4.054,16 3.112,17 3.23,18 4.828,19 3.156,20 4.032,21 4.29,22 2.88,23 3.235,24 4.93,25 3.096,26 3.911,27 4.192,28 2.655,29 3.052,30 4.699,31 2.876,32 3.771,33 4.085,34 2.592,35 2.848,36 4.537,37 2.708,38 3.462,39 3.7,40 2.346,41 2.687,42 4.367,43 2.551,44 3.473,45 3.804,46 1.958,47 2.444,48 4.234,49 2.205,50 2.978,51 3.328,52 1.439,53 1.812,54 3.753,55 1.634,56 0.04,57 0.404,58 6.02,59 2.118,60 5.681,61 3.225,62 0.093,63 0.613,64 10.33,65 3.605,66 10.215,67 5.488,68 0.128,69 0.644,70 12.817,71 4.041,72 17.776,73 6.398,74 0.07,75 0.532,76 11.289,77 4.017,78 12.792,79 6.189,80 0.089,81 0.447,82 10.056,83 3.091,84 11.435,85 5.004,86 0.067,87 0.368,88 7.104,89 2.203,90 9.147,91 3.516,92 0.098,93 0.299,94 7.445,95 2.654,96 12.312,97 4.007,98 0.064,99 0.174,100 4.634,101 0.989,102 6.72,103 1.851,104 2,105 18,106 0.281,107 0.667,108 0.794,109 0.825,110 0.825,111 0.825,112 2.666,113 0.956,114 -2.66,115 -2.68,116 -2.6,119 38.5,121 1,125 2,140 4,141 1,142 1,156 1,161 1,162 1,163 1,169 5,172 1,174 1,176 3,178 6,180 2,182 1,186 3,189 4,191 2,193 2,197 3,201 1,203 2,208 3,213 1,228 1,229 1,230 1,232 1,259 140,260 8.861,261 8.861,262 8.861,263 8.861,264 8.861,265 7.801,266 12.797,267 5.456,268 9.017,269 6.933,270 6.933,271 6.933,272 6.933,273 6.933,274 5.405,275 14.383,276 2.645,277 7.187,278 3.311,279 1.395,280 0.769,281 0.615,282 0.615,283 0.615,284 3.308,288 1,289 1,290 173,291 1.581,294 34.639,295 40.128,302 1.101,303 7.468,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 27.5,315 82,316 4.068,317 3.214,318 5.602,319 3.692,320 2.716,321 3.636,322 1.505,323 7.749,324 2.659,325 3.805,326 2.653,327 5.173,328 3.38,329 2.426,330 3.112,331 0.368,332 6.476,333 2.306,334 3.346,335 2.236,336 4.817,337 2.972,338 2,339 2.61,340 0.265,341 5.487,342 1.938,343 2.5,344 1.445,345 3.421,346 2.13,347 1.166,348 1.5,350 2.56,351 1.122,352 2.241,353 1.091,354 3.414,355 2,356 1,357 1.217,359 2.275,360 1,361 1.774,362 1,363 3,364 1.518,365 0.618,366 0.666,368 1.372,369 0.556,370 1.355,371 0.455,372 2.681,373 1.084,374 0.111,375 0.132,377 0.258,378 0.108,379 0.644,380 -0.258,381 2,382 0.379,383 -0.586,384 -0.677,386 -1.46,387 -0.565,388 0.5,389 -0.937,390 1.809,392 -1,393 -1.407,395 -2.947,396 -1,397 -0.072,398 -1,399 1.295,400 -0.314,401 -1.277,402 -1.5,404 -3,405 -1.23,406 -0.301,407 -1.057,408 1,409 -0.624,410 -1.59,411 -1.758,413 -3.6,414 -1.456,415 -0.469,416 -1.408,417 0.817,418 -0.718,419 -1.618,420 -2.118,421 -0.199,422 -4.372,423 -1.527,424 -0.5,425 -1.573,426 0.586,427 -0.999,428 -1.966,429 -2.414,430 -0.795,431 -5.275,432 -1.911,433 -0.89,434 -2,435 0.385,436 -1,437 -2,438 -3,439 -1.145,440 -5.524,441 -2,451 6.2,452 0.477,453 0.243,454 0.019,455 16.25,456 1.25,457 8,458 0.615,459 8.25,460 0.635,461 7.413,462 0.57,463 14.2,464 0.546,465 8.629,466 0.664,467 3.371,468 0.259,469 2.972,470 0.229,471 0.065,473 0.242,479 1.197,480 1.252,481 0.932,482 1.007,483 1.256,484 0.949,485 0.949,486 1.174,487 0.982,488 1.096,489 0.756,490 1.052,491 1.339,492 1,493 1.236,494 1.073,495 1.21,496 1.131,497 0.64,498 1.147,499 0.961,500 1.176,501 0.748,502 1.117,503 0.865,504 0.85,505 0.707,506 0.726,507 0.591,508 0.702,509 1.425,510 1.228,511 1.384,512 1.286,513 1.488,514 1.323,515 0.163,516 0.757,517 0.797,518 1.004,519 0.375,520 0.979,521 1.69,522 0.765,523 1.019,524 0.641,525 1.706,526 0.734,527 2.5,529 0.889,530 0.472,531 0.377,532 0.111,533 0.15,534 0.077,535 0.031,537 1165,538 2701,539 2.082,540 50,542 8,545 3,546 2,550 1.476,551 2,552 2.734,553 1.389,557 1,559 36.132,560 1.39,561 3.306,562 3.931,563 4.085,564 4.085,565 4.085,566 2.237,567 3.085,568 3.676,569 2.791,570 217.704,571 6.053,572 1604.13,574 1,577 122.211,578 1.14,579 3.655,580 0.179,582 0.049,583 0.036,584 0.038,585 0.011,586 0.021,587 0.019,588 0.016,590 0.37,591 1,592 1,593 0.569,594 47.981,595 -0.158,596 0.001,597 0.016,598 0.071,599 -0.199,600 0.065,601 0.037,602 -0.045,603 -0.033,604 -0.065,605 0.042,606 -0.059,607 -0.296,608 0.017,609 -0.278,610 -0.114,611 -0.225,612 -0.181,613 0.054,614 -0.255,615 -0.028,616 -0.179,617 0.04,618 -0.124,619 0.059,620 0.009,621 0.269,622 0.206,623 0.15,624 0.253,625 -0.33,626 -0.175,627 -0.429,628 -0.329,629 -0.394,630 -0.381,631 0.552,632 0.022,633 0.153,634 -0.061,635 0.451,636 -0.01,637 -0.242,638 0.053,639 0.016,640 0.13,641 -0.206,642 0.107,643 0.856,644 1.589,645 0.846,646 6.213,647 0.989,648 1.137,649 1.426,650 2.034,651 0.647,652 2.708,653 2.944,654 3.091,655 3.258,656 3.296,657 3.135,658 3.135,659 3.045,660 2.833,661 2.565,662 3.904,663 0.604,664 175.26,665 2.708,666 4.174,667 4.963,668 5.784,669 6.589,670 7.412,671 8.223,672 9.045,673 9.859,674 10.68,675 11.5,677 1,679 1,684 1,688 4,693 2,695 6,705 1,714 26,716 7,717 1,718 14,720 27,721 10,722 6,723 2,724 4,730 2,731 2,743 1,745 7,746 3,750 1,758 1,759 1,764 13,765 3,766 3,767 3,773 3,774 1,777 1,792 1,793 1,814 1,819 2,827 13,828 1,833 3,834 1,854 6.5,855 4.367,856 2.917,857 1.476,858 1.412,859 1.263,860 0.995,861 2.387,862 6.778,863 2.944,864 3.45,865 3.855,866 4.296,867 4.69,868 4.543,869 4.696,870 4.875,871 4.766,872 4.577,873 1,874 13,875 4.776,876 -0.003,877 1.936,878 7.577,879 9.312,880 -0.001,881 7.435,882 0.001,883 2.077,884 27,885 0.011,888 117.711,889 52.921,890 67.693,895 52.921,896 117.711,897 67.693,899 6.746,900 88.813,901 2.328,902 22.728,904 117.711,906 117.711,907 120.615,911 117.711,915 41.542,916 79.072,919 117.711,920 67.693,921 52.921,924 117.711,925 15.016,926 37.905,927 18.011,928 49.683,929 117.711,930 67.693,931 52.921,933 0.564,934 0.306,935 0.157,936 0.078,937 9,938 3,939 0.074,940 2,942 1,943 2.655,944 74.41,946 11,947 44.106,951 8.418,952 3.687,953 2.142,955 67.693,956 7.922,961 2.062,963 50.908,964 238.326,965 18,973 4.328,974 1.088,975 25.723,976 29.571,977 0.296,978 0.703,979 0.836,980 0.869,981 0.869,982 0.869,983 4.119,984 -0.586,985 4.89,986 0.258,987 3.611,988 4.127,989 1.696,990 5.549,991 3.546,992 5.274,993 -1,994 6.347,995 -1.46,996 2.944,997 3.689,998 0.904,999 6.071,1000 2.848,1001 6.534,1002 -1.277,1003 7.892,1004 -2.947,1005 5.056,1006 6.168,1007 2.113,1008 9.076,1009 4.932,1010 7.827,1011 -1.59,1012 9.487,1013 -3,1014 5.198,1015 6.496,1016 1.864,1017 10.391,1018 5.031,1019 9.146,1020 -1.618,1021 11.112,1022 -3.6,1023 6.727,1024 8.437,1025 2.717,1026 12.844,1027 6.552,1028 10.481,1029 -1.966,1030 12.756,1031 -4.372,1032 7.255,1033 9.12,1034 2.755,1035 14.505,1036 7.034,1037 11.827,1038 -2,1039 14.414,1040 -5.275,1041 8.517,1042 10.815,1043 3.416,1044 16.737,1045 8.292,1046 2.716,1048 16.081,1049 -5.524,1050 9.247,1051 11.7,1052 3.615,1053 18.575,1054 8.981,1055 2.426,1056 7.749,1057 17.755,1059 10.375,1060 13.256,1061 4.169,1062 20.705,1063 10.105,1064 2,1065 6.476,1066 19.435,1067 3.636,1068 11.217,1069 14.269,1070 4.458,1071 22.637,1072 10.911,1073 1.166,1074 5.487,1075 21.119,1076 3.112,1077 12.277,1078 15.739,1079 4.951,1080 24.72,1081 11.965,1082 1,1083 2.56,1084 22.806,1085 2.61,1086 13.182,1087 16.837,1088 5.291,1089 26.704,1090 12.84,1091 0.618,1092 2.275,1093 24.496,1094 1.5,1095 14.208,1096 18.249,1097 5.749,1098 28.764,1099 13.855,1100 0.111,1101 1.372,1102 26.189,1103 1.217,1104 15.149,1105 19.407,1106 6.119,1107 30.776,1108 14.77,1109 1184,1110 1846,1111 9.534,1112 16.824,1113 20.178,1114 20.328,1115 20.215,1116 20.052,1117 20.074,1118 25.746,1119 4.277,1120 52.355,1121 19.378,1122 4.959,1123 5.214,1124 5.217,1125 4.692,1126 4.716,1127 6.636,1128 2.65,1129 13.273,1130 4.659,1131 4.052,1132 1.441,1133 1.452,1134 1.444,1135 1.432,1136 1.434,1137 1.839,1138 0.306,1139 3.74,1140 1.384,1141 3.954,1142 3.996,1143 3.885,1144 3.875,1145 5.113,1146 3.872,1147 3.744,1148 3.813,1149 3.654,1150 3.549,1151 4.744,1152 3.566,1153 3.203,1154 3.287,1155 3.053,1156 3.045,1157 4.458,1158 3.036,1159 2.854,1160 2.934,1161 2.687,1162 2.735,1163 3.674,1164 2.715,1165 2.812,1166 2.925,1167 2.6,1168 2.553,1169 3.574,1170 2.553,1171 2.551,1172 2.698,1173 2.299,1174 2.187,1175 3.461,1176 2.188,1177 2.356,1178 2.481,1179 2.098,1180 2.011,1181 3.108,1182 2.016,1183 2.089,1184 2.239,1185 1.731,1186 1.754,1187 2.643,1188 1.729,1189 0.291,1190 0.23,1191 0.4,1192 0.264,1193 0.194,1194 4.068,1195 0.26,1196 3.214,1197 0.108,1198 5.602,1199 0.554,1200 3.692,1201 0.19,1202 2.716,1203 3.636,1204 1.505,1205 7.749,1206 2.659,1207 1.919,1208 1.889,1209 2.034,1210 2.011,1211 1.173,1212 2.021,1213 1.451,1214 1.379,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.424,1220 1.348,1221 1.607,1222 1.657,1223 0.744,1224 1.645,1225 0.953,1226 0.864,1227 1.221,1228 1.283,1229 0.23,1230 1.277,1231 0.886,1232 0.821,1233 1.181,1234 1.062,1235 0.218,1236 1.107,1237 0.577,1238 0.428,1239 1.037,1240 0.962,1242 1.001,1243 0.208,1244 0.064,1245 0.685,1246 0.529,1248 0.591,1251 0.578,1252 0.409,1254 0.483,1255 3.367,1257 4.615,1258 2.398,1259 6.038,1260 4.443,1261 7.537,1262 6.26,1263 9.077,1269 5.589,1271 2.773,1272 3.238,1280 15.698,1281 36.132,1282 85.947,1283 102.211,1284 106.211,1285 106.211,1286 106.211,1287 12.125,1288 5.366,1289 50.41,1290 50.41,1291 11,1292 11.261,1293 3,1294 2.322,1295 19.329,1296 30,1297 26,1298 0.328,1299 100.58,1300 168.38,1301 237.176,1302 1097,1304 9.096,1305 0.7,1306 0.573,1307 9.096,1308 7.455,1309 6.343,1310 0.453,1311 0.319,1312 4.413,1313 6.166,1314 4.313,1315 3.585,1316 6.343,1317 4.461,1318 5.512,1319 0.306,1320 0.176,1321 5.512,1322 3.174,1323 4.277,1324 0.204,1325 0.1,1326 4.277,1327 2.095,1328 3.282,1329 0.131,1330 0.056,1331 3.282,1332 1.394,1333 2.312,1334 0.089,1335 0.032,1336 2.312,1337 0.828,1338 0.5,1339 39.257,1340 0.324,1341 13.391,1342 0.925,1343 64,1344 153.29,1345 68.524,1346 155.035,1347 213.79,1348 146,1349 71,1350 156.648,1351 75.191,1352 161.295,1353 229.66,1354 152,1355 5} {0 CHEMBL595449,1 1.423,2 8.962,3 4.606,4 21.213,5 104.27,6 6.741,7 0.607,8 4.021,9 4.157,10 3.504,11 3.542,12 5.089,13 3.5,14 4.546,15 4.756,16 3.878,17 3.928,18 5.528,19 3.876,20 4.762,21 4.953,22 3.902,23 4.105,24 5.77,25 4.005,26 5.003,27 5.297,28 3.899,29 4.106,30 5.871,31 3.978,32 4.798,33 5.051,34 3.816,35 4.006,36 5.772,37 3.91,38 4.671,39 4.906,40 3.747,41 3.95,42 5.607,43 3.848,44 4.625,45 4.837,46 3.754,47 3.94,48 5.594,49 3.843,50 4.784,51 5.019,52 3.664,53 3.98,54 5.775,55 3.855,56 0.078,57 0.766,58 11.896,59 4.746,60 12.042,61 6.722,62 0.202,63 1.216,64 21.077,65 7.384,66 21.679,67 10.968,68 0.21,69 1.475,70 25.937,71 9.734,72 31.218,73 14.111,74 0.36,75 1.653,76 34.808,77 11.319,78 46.489,79 17.607,80 0.356,81 1.449,82 28.128,83 8.382,84 44.349,85 13.215,86 0.236,87 1.274,88 24.2,89 8.538,90 28.306,91 12.742,92 0.134,93 1.25,94 22.718,95 8.377,96 23.162,97 12.34,98 0.365,99 1.375,100 27.668,101 8.888,102 45.497,103 13.309,104 42,105 41,106 0.238,107 0.555,108 0.695,109 0.76,110 0.76,111 0.76,112 3.305,113 0.937,114 -5.67,115 -5.54,116 -5.17,119 40.4,120 3,123 1,124 2,125 1,140 8,141 2,142 2,147 1,159 1,164 1,169 12,171 2,172 4,176 2,178 17,181 2,182 8,186 1,189 12,192 1,193 10,195 1,197 1,199 9,203 7,206 1,211 8,215 8,218 1,220 1,222 7,226 10,231 2,233 6,237 5,240 1,242 2,244 5,249 1,254 1,256 8,259 1096,260 16.712,261 16.712,262 16.712,263 16.712,264 16.712,265 14.782,266 21.609,267 9.659,268 17.014,269 13.85,270 13.85,271 13.85,272 13.85,273 13.85,274 10.9,275 25.361,276 4.619,277 14.367,278 4.278,279 2.389,280 1.554,281 1.169,282 1.169,283 1.169,284 3.978,288 1,289 1,290 484,291 3.674,294 76.075,295 168.599,302 1.429,303 16.696,305 1,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 55,315 233,316 4.555,317 3.539,318 7.111,319 4.317,320 3.319,321 4.268,322 0.916,323 11.661,324 3.316,325 4.416,326 3.273,327 6.728,328 4.119,329 3.171,330 3.806,331 0.172,332 11.011,333 3.006,334 3.987,335 2.815,336 5.798,337 3.572,338 2.599,339 3.541,341 7.962,342 2.532,343 3.741,344 2.671,345 5.405,346 3.404,347 2.454,348 3.107,350 7.133,351 2.327,352 3.447,353 2.361,354 5.033,355 3.113,356 2.165,357 2.706,359 5.952,360 2.043,361 3.121,362 2.114,363 4.7,364 2.798,365 1.865,366 2.27,368 5.028,369 1.745,370 2.947,371 1.741,372 4.486,373 2.653,374 1.682,375 2.014,377 4.559,378 1.622,379 2.726,380 1.376,381 4.243,382 2.27,383 1.293,384 1.817,386 3.556,387 1.259,388 2.533,389 1.125,390 3.824,391 2.063,392 1.085,393 1.546,395 2.666,396 1.059,397 2.5,398 1,399 3.467,400 2,401 1,402 1.5,404 2.275,405 1,406 2.268,407 0.796,408 3.414,409 1.747,410 0.787,411 1.159,413 2.267,414 0.753,415 0.978,416 0.047,417 2.836,418 0.673,419 -0.273,420 -0.307,422 -0.735,423 -0.257,424 0.941,425 -0.057,426 2.572,427 0.573,428 -0.382,429 -0.491,431 -0.876,432 -0.357,433 0.825,434 -0.32,435 2.515,436 0.496,437 -0.449,438 -0.564,440 -1.151,441 -0.426,442 0.658,443 -0.6,444 2.209,445 0.226,446 -0.743,447 -0.987,449 -2,450 -0.716,451 12.433,452 0.478,453 0.936,454 0.036,455 32.75,456 1.26,457 16.5,458 0.635,459 16.25,460 0.625,461 23.083,462 0.888,463 28.367,464 0.546,465 24.792,466 0.954,467 6.325,468 0.243,469 5.912,470 0.227,471 0.228,472 0.04,473 0.306,479 0.882,480 1.367,481 0.898,482 1.156,483 1.035,484 1.054,485 0.889,486 0.969,487 0.761,488 0.806,489 0.527,490 0.765,491 0.978,492 1.366,493 1.192,494 1.341,495 1.027,496 1.3,497 0.738,498 0.954,499 0.739,500 0.803,501 0.621,502 0.771,503 1.303,504 0.95,505 1.075,506 0.842,507 1.054,508 0.9,509 0.912,510 1.036,511 0.98,512 1.001,513 0.735,514 0.99,515 0.906,516 1.311,517 1.032,518 1.221,519 0.735,520 1.149,521 1.585,522 1.01,523 1.345,524 1.083,525 1.53,526 1.166,527 7.5,528 0.211,529 3.111,530 2.097,531 1.509,532 1.06,533 0.692,534 0.563,535 0.509,536 0.248,537 7025,538 15350,539 1.983,540 50,541 9,542 16,545 1,550 1.697,551 1.803,552 3.156,553 -0.37,559 73.973,560 1.423,561 3.311,562 4.147,563 4.531,564 4.531,565 4.531,566 2.498,567 4.287,568 4.667,569 3.369,570 1094.86,571 8.124,572 13639.8,574 1,577 296.423,578 1.717,579 4.592,580 0.268,581 0.016,582 0.076,583 0.054,584 0.039,585 0.029,586 0.02,587 0.017,588 0.018,589 0.012,590 0.549,591 0.33,592 0.88,593 1.134,594 125.783,595 0.067,596 -0.143,597 0.055,598 -0.054,599 -0.142,600 -0.016,601 0.083,602 0.173,603 0.22,604 0.205,605 0.182,606 0.225,607 -0.026,608 -0.243,609 -0.232,610 -0.299,611 -0.109,612 -0.295,613 0.156,614 -0.002,615 0.25,616 0.14,617 0.15,618 0.194,619 -0.132,620 0.142,621 -0.065,622 0.084,623 -0.089,624 0.033,625 0.023,626 0.025,627 -0.006,628 0.001,629 0.072,630 -0.001,631 -0.024,632 -0.229,633 -0.071,634 -0.189,635 0.057,636 -0.142,637 -0.239,638 0.055,639 -0.336,640 -0.126,641 -0.221,642 -0.22,643 1.457,644 3.844,645 0.654,646 24.408,647 0.99,648 1.13,649 4.442,650 19.733,651 0.651,652 3.367,653 3.738,654 3.932,655 4.205,656 4.419,657 4.585,658 4.754,659 4.804,660 4.898,661 4.875,662 5.866,663 0.608,664 350.51,665 3.367,666 4.934,667 5.771,668 6.671,669 7.534,670 8.438,671 9.314,672 10.219,673 11.104,674 12.009,675 7.7,678 1,683 1,685 2,688 8,689 2,693 6,694 1,695 17,711 1,714 52,716 17,717 2,718 28,720 54,721 21,722 14,723 4,724 8,730 3,731 3,736 3,737 1,745 14,746 7,761 1,764 26,765 4,766 1,767 5,773 4,777 1,778 1,792 1,793 2,815 1,819 3,823 5,827 26,832 1,833 1,838 1,839 1,844 1,847 1.9,849 1,854 14.417,855 10.917,856 5.5,857 2.951,858 3.089,859 1.433,860 0.93,861 5.058,862 10.218,863 3.624,864 4.252,865 4.815,866 5.43,867 5.955,868 6.316,869 6.771,870 7.136,871 7.524,872 7.776,873 0.833,874 39,875 9.58,877 3.951,878 7.606,879 18.528,881 14.943,883 2.106,884 54.75,886 1,887 1,888 294.278,889 134.968,890 38.349,892 42.683,895 134.968,896 336.961,897 38.349,898 43.268,899 2.106,900 75.81,901 78.46,902 16.357,904 294.278,906 294.278,907 173.317,908 42.683,911 296.605,912 42.683,915 35.81,916 101.731,917 33.449,919 294.278,920 81.033,921 134.968,924 294.278,925 15.889,926 123.979,928 76.132,929 294.278,930 81.033,931 134.968,933 0.597,934 0.317,935 0.165,936 0.092,937 20,938 10,939 0.093,940 5,942 1,943 3.63,944 219.517,946 17,947 111.457,951 18.466,952 7.122,953 4.274,955 79.256,956 15.531,957 9.409,961 4.789,962 1.796,963 42.683,964 510.278,965 36.5,975 51.454,976 58.77,977 0.25,978 0.581,979 0.727,980 0.795,981 0.795,982 0.795,983 4.885,984 1.293,985 5.82,986 4.559,987 4.419,988 4.938,989 0.918,990 6.678,991 4.351,992 6.13,993 1.085,994 7.419,995 3.556,996 4.29,997 4.832,998 0.325,999 7.861,1000 4.192,1001 7.46,1002 1,1003 9.127,1004 2.666,1005 6.111,1006 7.141,1007 0.671,1008 10.87,1009 5.99,1010 8.825,1011 0.787,1012 10.901,1013 2.275,1014 6.735,1015 7.787,1016 0.393,1017 12.843,1018 6.596,1019 10.219,1020 -0.273,1021 12.719,1022 2.267,1023 8.13,1024 9.626,1025 0.533,1026 15.456,1027 7.974,1028 11.635,1029 -0.382,1030 14.567,1031 -0.735,1032 9.071,1033 10.638,1034 0.384,1035 17.721,1036 8.904,1037 13.068,1038 -0.449,1039 16.437,1040 -0.876,1041 10.318,1042 12.262,1043 0.438,1044 20.213,1045 10.138,1046 3.319,1047 -0.743,1048 18.324,1049 -1.151,1050 11.395,1051 13.467,1052 0.351,1053 22.585,1054 11.207,1055 3.171,1056 11.661,1057 20.224,1058 -2,1059 12.593,1060 14.987,1061 0.366,1062 25.039,1063 12.395,1064 2.599,1065 11.011,1066 22.134,1067 4.268,1068 13.729,1069 16.296,1070 0.312,1071 27.452,1072 13.525,1073 2.454,1074 7.962,1075 24.052,1076 3.806,1077 14.911,1078 17.767,1079 0.309,1080 29.895,1081 14.701,1082 2.165,1083 7.133,1084 25.975,1085 3.541,1086 16.073,1087 19.133,1088 0.273,1089 32.323,1090 15.858,1091 1.865,1092 5.952,1093 27.904,1094 3.107,1095 17.253,1096 20.583,1097 0.262,1098 34.763,1099 17.034,1100 1.682,1101 5.028,1102 29.836,1103 2.706,1104 18.426,1105 21.981,1106 0.236,1107 37.198,1108 18.204,1109 7048,1110 10601,1111 17.8,1112 33.853,1113 43.805,1114 42.621,1115 43.99,1116 42.899,1117 42.838,1118 55.467,1119 2.178,1120 128.138,1121 41.326,1122 5.32,1123 5.539,1124 6.663,1125 5.353,1126 5.319,1127 7.268,1128 1.605,1129 18.859,1130 5.316,1131 16.206,1132 1.564,1133 1.522,1134 1.571,1135 1.532,1136 1.53,1137 1.981,1138 0.078,1139 4.576,1140 1.476,1141 4.074,1142 4.119,1143 4.04,1144 3.964,1145 6.471,1146 3.971,1147 3.898,1148 3.932,1149 3.833,1150 3.821,1151 5.06,1152 3.822,1153 3.743,1154 3.796,1155 3.674,1156 3.58,1157 4.688,1158 3.597,1159 3.584,1160 3.66,1161 3.438,1162 3.429,1163 4.554,1164 3.423,1165 3.439,1166 3.519,1167 3.302,1168 3.201,1169 4.276,1170 3.218,1171 2.952,1172 3.009,1173 2.836,1174 2.76,1175 4.2,1176 2.763,1177 2.9,1178 3.009,1179 2.74,1180 2.745,1181 3.71,1182 2.736,1183 2.874,1184 3.009,1185 2.687,1186 2.735,1187 3.674,1188 2.715,1189 0.163,1190 0.126,1191 0.254,1192 0.154,1193 0.119,1194 4.555,1195 0.152,1196 3.539,1197 0.033,1198 7.111,1199 0.416,1200 4.317,1201 0.118,1202 3.319,1203 4.268,1204 0.916,1205 11.661,1206 3.316,1207 1.973,1208 1.946,1209 2.093,1210 2.062,1211 1.289,1212 2.07,1213 1.879,1214 1.852,1215 1.986,1216 1.988,1217 1.078,1218 1.99,1219 1.63,1220 1.572,1221 1.855,1222 1.868,1223 1.005,1224 1.869,1225 1.594,1226 1.517,1227 1.83,1228 1.762,1229 0.949,1230 1.788,1231 1.199,1232 1.13,1233 1.451,1234 1.487,1235 0.58,1236 1.465,1237 1.187,1238 1.11,1239 1.417,1240 1.411,1241 0.469,1242 1.391,1243 0.934,1244 0.839,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.821,1251 1.417,1252 1.239,1253 0.469,1254 1.308,1255 4.043,1257 5.398,1258 2.398,1259 6.925,1260 4.727,1261 8.529,1262 6.843,1263 10.177,1265 10.588,1270 9.844,1271 0.652,1276 2.036,1277 0.105,1280 31.595,1281 73.973,1282 172.181,1283 215.629,1284 235.629,1285 235.629,1286 235.629,1287 42.443,1288 7.129,1289 54.18,1290 54.18,1291 17,1292 12.532,1293 4.17,1294 3.248,1295 44.026,1296 87,1297 84,1298 0.243,1299 197.784,1300 333.75,1301 474.352,1302 10284,1304 18.897,1305 0.727,1306 0.618,1307 18.897,1308 16.062,1309 12.236,1310 0.437,1311 0.312,1312 8.642,1313 11.841,1314 8.166,1315 6.958,1316 12.236,1317 8.749,1318 12.304,1319 0.3,1320 0.191,1321 12.304,1322 7.848,1323 8.75,1324 0.175,1325 0.084,1326 8.75,1327 4.192,1328 7.442,1329 0.113,1330 0.043,1331 7.442,1332 2.816,1333 5.716,1334 0.07,1335 0.022,1336 5.716,1337 1.774,1338 0.372,1339 76.13,1340 0.237,1341 24.745,1342 0.699,1343 138,1344 340.73,1345 148.485,1346 341.33,1347 475.1,1348 318,1349 160,1350 364.126,1351 172.041,1352 377.09,1353 544.72,1354 349,1355 5} {0 CHEMBL604102,1 1.654,2 10,3 3.267,4 10.672,5 111.314,6 8.177,7 0.656,8 4,9 4.106,10 3.796,11 3.641,12 5.057,13 3.591,14 4.549,15 4.687,16 4.15,17 4.068,18 5.761,19 4.013,20 4.826,21 5.016,22 4.255,23 4.216,24 5.953,25 4.117,26 4.879,27 5.077,28 4.233,29 4.191,30 6.067,31 4.092,32 4.805,33 4.992,34 4.114,35 4.086,36 6.04,37 4.007,38 4.713,39 4.907,40 3.989,41 3.984,42 5.914,43 3.912,44 4.632,45 4.834,46 3.873,47 3.923,48 5.699,49 3.83,50 4.583,51 4.792,52 3.672,53 3.788,54 5.695,55 3.69,56 0.11,57 0.753,58 11.272,59 4.748,60 19.134,61 5.355,62 0.213,63 1.243,64 18.13,65 7.741,66 44.908,67 9.438,68 0.329,69 1.589,70 28.687,71 11.071,72 46.284,73 13.562,74 0.373,75 1.599,76 34.011,77 12.342,78 57.359,79 14.402,80 0.367,81 1.449,82 31.29,83 11.292,84 68.342,85 12.951,86 0.413,87 1.346,88 26.104,89 9.266,90 63.442,91 11.03,92 0.301,93 1.308,94 25.874,95 8.624,96 48.419,97 10.086,98 0.402,99 1.182,100 24.682,101 8.091,102 65.46,103 9.58,104 10,105 48,106 0.275,107 0.584,108 0.732,109 0.848,110 0.881,111 0.894,112 3.376,113 1.007,114 -3.87,115 -3.82,116 -3.63,119 43.8,121 1,125 2,127 1,140 10,141 3,142 2,145 1,150 1,161 1,162 1,163 1,166 1,169 11,171 1,172 4,176 3,178 13,180 1,181 2,182 10,183 1,184 1,186 2,189 11,193 11,195 2,199 9,202 1,203 11,206 1,208 4,211 9,213 2,214 2,215 7,220 5,222 8,224 2,226 4,231 4,233 9,237 5,239 1,240 1,241 1,242 1,243 1,244 7,249 3,251 2,252 2,256 6,259 1162,260 18.996,261 18.996,262 18.996,263 18.996,264 18.996,265 16.417,266 15.113,267 10.892,268 19.451,269 15.804,270 15.804,271 15.804,272 15.804,273 15.804,274 11.822,275 20.572,276 5.148,277 16.6,278 3.931,279 2.075,280 1.182,281 0.49,282 0.292,283 0.208,284 4.084,288 1,289 1,290 628,291 3.24,294 123.494,295 196.132,298 101.27,299 111.737,302 1.5,303 33.478,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 60,315 280,316 5.057,317 5.365,318 7.792,319 4.485,320 3.605,321 5.026,322 2.95,323 14.27,324 3.182,325 4.489,326 3.357,327 6.596,328 4.01,329 3.039,330 4.435,331 0.8,332 10.37,333 2.957,334 4.254,335 3.144,336 6.25,337 3.805,338 2.849,339 4.074,341 9.316,342 2.696,343 3.937,344 2.778,345 6.069,346 3.607,347 2.647,348 3.26,350 8.698,351 2.509,352 3.355,353 2.461,354 5.313,355 3.148,356 2.177,357 2.664,359 6.091,360 2.109,361 3.28,362 2.255,363 5.047,364 2.794,365 1.83,366 2.427,368 5.793,369 1.756,370 3.118,371 1.618,372 4.629,373 2.618,374 1.618,375 2.417,377 4.462,378 1.618,379 3.054,380 1.516,381 4.261,382 2.486,383 1.497,384 2.309,386 3.759,387 1.478,388 2.761,389 1.504,390 4.109,391 2.304,392 1.352,393 1.891,395 3.577,396 1.284,397 2.692,398 1.3,399 3.914,400 2.257,401 1.259,402 1.758,404 2.916,405 1.256,406 2.409,407 1.214,408 3.586,409 2.035,410 1.073,411 1.388,413 2.768,414 1.028,415 2.235,416 0.951,417 3.354,418 1.731,419 0.746,420 1.093,422 1.784,423 0.732,424 2.001,425 0.797,426 3.27,427 1.67,428 0.692,429 0.792,431 1.68,432 0.675,433 1.693,434 0.586,435 3.21,436 1.468,437 0.496,438 0.652,440 1.283,441 0.48,442 1.043,443 0.18,444 2.805,445 0.539,446 -0.434,447 -0.604,449 -1.108,450 -0.414,451 13.6,452 0.486,453 0.807,454 0.029,455 39.5,456 1.411,457 21.5,458 0.768,459 18,460 0.643,461 21.524,462 0.769,463 29,464 0.604,465 30.42,466 1.086,467 7.459,468 0.266,469 6.078,470 0.217,471 0.078,472 0.061,473 0.324,479 0.571,480 1.036,481 0.816,482 1.021,483 0.71,484 0.83,485 0.751,486 1.12,487 0.793,488 0.938,489 0.602,490 0.904,491 0.787,492 0.998,493 0.951,494 1.006,495 0.732,496 0.967,497 1.096,498 0.995,499 1.103,500 1.075,501 1.12,502 0.928,503 1.412,504 1.03,505 1.118,506 1.113,507 1.585,508 0.97,509 1.389,510 1.069,511 1.017,512 0.943,513 1.495,514 0.95,515 1.333,516 1.121,517 1.293,518 1.093,519 1.122,520 1.03,521 1.552,522 0.954,523 1.264,524 1.055,525 1.593,526 1.083,527 6,528 0.069,529 4.444,530 2.569,531 2.042,532 1.101,533 0.694,534 0.409,535 0.295,536 0.11,537 9554,538 23693,539 2.168,540 41.7,542 15,545 3,548 2,550 1.714,551 2.036,552 3.3,553 0.917,554 1,555 1,559 79.401,560 1.654,561 3.51,562 4.403,563 5.095,564 5.293,565 5.377,566 2.72,567 4.423,568 4.78,569 3.418,570 1292.12,571 8.334,572 16159.6,574 1,576 1,577 268.078,578 1.526,579 4.738,580 0.188,581 0.004,582 0.093,583 0.052,584 0.043,585 0.025,586 0.017,587 0.012,588 0.011,589 0.005,590 0.449,591 0.5,592 0.88,593 0.517,594 137.537,595 0.099,596 0.112,597 0.188,598 0.053,599 -0.157,600 0.087,601 0.093,602 -0.049,603 0.073,604 0.02,605 0.167,606 0.01,607 0.095,608 0.036,609 0.079,610 0.02,611 0.091,612 0.001,613 0.037,614 0.004,615 0.053,616 0.013,617 0.06,618 0.06,619 -0.072,620 -0.071,621 -0.022,622 -0.06,623 -0.053,624 0.003,625 -0.086,626 -0.073,627 -0.061,628 -0.002,629 -0.117,630 -0.02,631 -0.246,632 -0.05,633 -0.215,634 -0.086,635 -0.156,636 -0.094,637 -0.234,638 0.049,639 -0.259,640 -0.099,641 -0.243,642 -0.147,643 4.702,644 6.491,645 0.857,646 22.393,647 1.004,648 1.118,649 2.636,650 6.949,651 0.701,652 3.497,653 3.892,654 4.234,655 4.554,656 4.779,657 4.898,658 5.069,659 5.231,660 5.352,661 5.407,662 5.865,663 0.665,664 392.52,665 3.497,666 5.081,667 5.974,668 6.895,669 7.805,670 8.73,671 9.648,672 10.575,673 11.496,674 12.425,675 8.3,676 1,681 1,683 1,685 1,687 4,688 10,689 1,690 1,693 3,695 21,709 1,714 48,716 23,717 3,718 32,720 52,721 21,722 17,723 6,724 10,730 5,731 7,740 2,743 2,745 17,746 4,750 2,753 1,755 2,761 1,764 20,765 5,766 3,767 7,768 1,773 4,777 0.6,778 2,784 1,789 1,792 2,793 3,796 1,797 1,812 1,819 3,821 1,827 28,828 1,829 1,833 3,837 1,838 1,847 4.2,850 2,854 13.75,855 8.4,856 5.889,857 2.829,858 4.3,859 1.531,860 1.072,861 4.073,862 12.399,863 3.818,864 4.53,865 5.205,866 5.879,867 6.467,868 6.869,869 7.338,870 7.782,871 8.126,872 8.422,873 0.857,874 49,875 10.68,877 5.078,878 7.783,879 20.026,881 17.708,883 2.283,884 63.917,887 1,888 200.109,889 122.847,890 69.348,892 44.313,894 6.046,895 116.801,896 244.422,897 69.348,899 39.643,900 100.808,901 60.976,902 31.814,903 3.266,904 200.109,906 200.109,907 186.148,908 44.313,909 6.046,911 176.567,912 67.855,915 56.306,916 113.179,917 22.709,919 200.109,920 113.66,921 122.847,923 6.046,924 200.109,925 22.038,926 97.887,927 16.663,928 93.873,929 200.109,930 113.66,931 122.847,933 0.599,934 0.363,935 0.203,936 0.108,937 27,938 11,939 0.058,940 3,941 2,942 1.167,943 3.878,944 268.364,945 0.167,946 24,947 130.606,950 1,951 17.534,952 6.504,953 2.88,954 2.884,955 96.997,956 18.55,957 4.177,958 2.866,961 1.299,963 49.56,964 436.616,965 44.5,968 -3.785,970 26.983,975 48.207,976 53.654,977 0.296,978 0.628,979 0.788,980 0.912,981 0.948,982 0.963,983 5.083,984 1.497,985 6.009,986 4.462,987 4.575,988 5.218,989 2.963,990 6.93,991 4.474,992 6.347,993 1.352,994 7.642,995 3.759,996 4.369,997 5.33,998 0.325,999 8.219,1000 4.124,1001 7.719,1002 1.259,1003 9.392,1004 3.577,1005 6.308,1006 7.639,1007 5.03,1008 11.358,1009 6.057,1010 9.14,1011 1.073,1012 11.218,1013 2.916,1014 6.957,1015 8.615,1016 0.268,1017 13.514,1018 6.532,1019 10.602,1020 0.746,1021 13.095,1022 2.768,1023 8.409,1024 10.438,1025 7.185,1026 16.273,1027 7.956,1028 12.093,1029 0.692,1030 15.008,1031 1.784,1032 9.415,1033 11.771,1034 0.188,1035 18.742,1036 8.79,1037 13.607,1038 0.496,1039 16.948,1040 1.68,1041 10.712,1042 13.43,1043 9.348,1044 21.413,1045 10.023,1046 3.605,1047 -0.434,1048 18.909,1049 1.283,1050 11.864,1051 14.911,1052 0.125,1053 23.996,1054 11.017,1055 3.039,1056 14.27,1057 20.887,1058 -1.108,1059 13.121,1060 16.517,1061 11.511,1062 26.651,1063 12.178,1064 2.849,1065 10.37,1066 22.878,1067 5.026,1068 14.335,1069 18.059,1070 0.082,1071 29.278,1072 13.244,1073 2.647,1074 9.316,1075 24.88,1076 4.435,1077 15.588,1078 19.651,1079 13.675,1080 31.931,1081 14.381,1082 2.177,1083 8.698,1084 26.891,1085 4.074,1086 16.83,1087 21.222,1088 0.054,1089 34.576,1090 15.481,1091 1.83,1092 6.091,1093 28.909,1094 3.26,1095 18.088,1096 22.812,1097 15.838,1098 37.231,1099 16.612,1100 1.618,1101 5.793,1102 30.934,1103 2.664,1104 19.346,1105 24.398,1106 0.035,1107 39.883,1108 17.729,1109 8813,1110 14082,1111 21.671,1112 33.671,1113 49.732,1114 51.133,1115 50.798,1116 49.887,1117 49.759,1118 68.371,1119 7.5,1120 153.535,1121 47.517,1122 5.949,1123 7.365,1124 7.481,1125 5.64,1126 5.605,1127 8.026,1128 5.9,1129 22.938,1130 5.182,1131 11.28,1132 1.554,1133 1.598,1134 1.587,1135 1.559,1136 1.555,1137 2.137,1138 0.234,1139 4.798,1140 1.485,1141 4.233,1142 4.233,1143 4.768,1144 4.219,1145 7.715,1146 4.16,1147 4.044,1148 4.072,1149 4.009,1150 3.974,1151 6.999,1152 3.977,1153 3.845,1154 3.903,1155 3.925,1156 3.732,1157 5.055,1158 3.691,1159 3.678,1160 3.654,1161 3.689,1162 3.6,1163 4.998,1164 3.557,1165 3.405,1166 3.444,1167 3.315,1168 3.325,1169 4.871,1170 3.303,1171 3.253,1172 3.317,1173 3.198,1174 3.04,1175 4.418,1176 3.056,1177 2.984,1178 3.104,1179 2.844,1180 2.843,1181 4.315,1182 2.833,1183 2.938,1184 2.994,1185 2.782,1186 2.742,1187 4.006,1188 2.72,1189 0.158,1190 0.168,1191 0.243,1192 0.14,1193 0.113,1194 5.057,1195 0.157,1196 5.365,1197 0.092,1198 7.792,1199 0.446,1200 4.485,1201 0.099,1202 3.605,1203 5.026,1204 2.95,1205 14.27,1206 3.182,1207 2.109,1208 2.113,1209 2.145,1210 2.143,1211 1.353,1212 2.17,1213 1.943,1214 1.924,1215 2.014,1216 2.029,1217 1.196,1218 2.03,1219 1.639,1220 1.662,1221 1.848,1222 1.803,1223 1.177,1224 1.823,1225 1.598,1226 1.528,1227 1.661,1228 1.76,1229 0.935,1230 1.789,1231 1.415,1232 1.38,1233 1.636,1234 1.66,1235 0.804,1236 1.657,1237 1.402,1238 1.324,1239 1.408,1240 1.553,1241 0.61,1242 1.572,1243 1.084,1244 1.026,1245 1.245,1246 1.333,1247 0.311,1248 1.336,1249 0.931,1250 0.874,1251 1.131,1252 1.107,1253 0.224,1254 1.134,1255 4.174,1257 5.549,1258 3.045,1259 7.124,1260 5.352,1261 8.79,1262 7.413,1263 10.507,1269 6.027,1271 2.579,1275 0.152,1276 2.186,1280 31.917,1281 79.401,1282 168.478,1283 211.349,1284 244.568,1285 254.078,1286 258.078,1287 50.267,1288 8.099,1289 92.08,1290 100.46,1291 28,1292 12.93,1293 4.585,1294 3.755,1295 37.505,1296 97,1297 107,1298 0.189,1299 195.197,1300 322.79,1301 468.04,1302 38488,1304 19.303,1305 0.689,1306 0.571,1307 19.553,1308 15.985,1309 13.537,1310 0.423,1311 0.336,1312 9.287,1313 12.414,1314 8.985,1315 7.395,1316 14.326,1317 10.737,1318 12.926,1319 0.269,1320 0.189,1321 14.208,1322 9.068,1323 11.342,1324 0.167,1325 0.105,1326 12.656,1327 7.15,1328 9.929,1329 0.106,1330 0.059,1331 11.295,1332 5.501,1333 7.941,1334 0.067,1335 0.032,1336 9.244,1337 3.828,1338 0.289,1339 91.88,1340 0.215,1341 26.146,1342 0.545,1343 160,1344 423.267,1345 211.08,1346 438.881,1347 611.21,1348 406,1349 196,1350 438.655,1351 257.842,1352 483.145,1353 715.86,1354 455,1355 5.644} {0 CHEMBL606547,1 1.711,2 10.296,3 4.633,4 21.46,5 111.07,6 8.244,7 0.533,8 3.997,9 4.103,10 3.801,11 3.618,12 4.987,13 3.558,14 4.57,15 4.727,16 4.124,17 4.043,18 5.768,19 3.965,20 4.837,21 5.035,22 4.247,23 4.2,24 5.843,25 4.064,26 4.916,27 5.134,28 4.19,29 4.142,30 6.076,31 4.006,32 4.832,33 5.081,34 3.938,35 3.999,36 5.878,37 3.879,38 4.622,39 4.812,40 3.963,41 3.977,42 5.677,43 3.872,44 4.704,45 4.928,46 3.866,47 3.971,48 5.734,49 3.829,50 4.607,51 4.844,52 3.694,53 3.808,54 5.576,55 3.657,56 0.088,57 0.738,58 11.973,59 4.84,60 15.085,61 5.845,62 0.325,63 1.219,64 20.721,65 8.365,66 50.246,67 10.523,68 0.262,69 1.487,70 34.815,71 12.06,72 38.303,73 14.717,74 0.502,75 1.512,76 41.351,77 13.253,78 80.959,79 16.116,80 0.462,81 1.374,82 36.171,83 11.738,84 67.768,85 14.656,86 0.246,87 1.224,88 22.753,89 8.604,90 34.674,91 10.952,92 0.364,93 1.267,94 31.497,95 10.527,96 42.803,97 13.297,98 0.338,99 1.095,100 27.69,101 9.224,102 55.329,103 11.698,104 17,105 44,106 0.287,107 0.625,108 0.804,109 0.886,110 0.892,111 0.892,112 3.34,113 1.088,114 -3.97,115 -3.93,116 -3.72,119 40.8,121 3,124 1,125 1,127 1,140 7,141 2,142 3,149 1,150 1,169 8,171 1,172 3,174 2,176 5,178 8,182 3,186 6,189 9,193 11,197 4,199 5,203 7,206 1,207 1,208 3,211 5,215 3,220 1,222 10,226 3,229 3,231 1,233 11,242 2,244 7,248 2,249 2,254 3,256 4,259 1051,260 17.971,261 17.971,262 17.971,263 17.971,264 17.971,265 15.775,266 16.631,267 10.361,268 18.412,269 14.803,270 14.803,271 14.803,272 14.803,273 14.803,274 11.458,275 15.48,276 4.904,277 15.601,278 3.904,279 1.891,280 0.825,281 0.342,282 0.301,283 0.301,284 4.032,285 1,288 1,289 1,290 606,291 3.464,294 134.568,295 160.59,298 109.798,302 1.588,303 29.719,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57.833,315 278,316 4.889,317 4.715,318 7.4,319 4.35,320 3.436,321 4.746,322 0.8,323 12.878,324 3.126,325 4.55,326 3.227,327 6.561,328 4.089,329 3.106,330 4.499,332 10.419,333 3.034,334 3.873,335 3,336 6.039,337 3.741,338 2.792,339 3.409,341 8.629,342 2.648,343 3.822,344 2.836,345 5.651,346 3.379,347 2.44,348 3.073,350 7.401,351 2.274,352 3.597,353 2.447,354 5.208,355 3.133,356 2.174,357 2.839,359 6.349,360 2.063,361 3.294,362 2.07,363 5.067,364 2.871,365 1.9,366 2.583,368 5.824,369 1.839,370 2.864,371 1.629,372 4.23,373 2.354,374 1.414,375 2.022,377 3.697,378 1.307,379 2.728,380 1.456,381 4.108,382 2.317,383 1.344,384 1.826,386 3.234,387 1.271,388 2.658,389 1.321,390 3.969,391 2.162,392 1.194,393 1.712,395 3.119,396 1.146,397 2.353,398 1.237,399 3.604,400 2.129,401 1.149,402 1.335,404 2.843,405 1.12,406 2.145,407 1.149,408 3.418,409 2.075,410 1.096,411 1.125,413 2.386,414 1.071,415 2.065,416 0.795,417 3.289,418 1.67,419 0.709,420 0.956,422 1.707,423 0.68,424 1.28,425 0.547,426 3.138,427 0.974,428 0.015,429 0.017,431 0.04,432 0.014,433 1.097,434 0.15,435 2.754,436 0.699,437 -0.213,438 -0.251,440 -0.489,441 -0.146,442 1,443 -0.119,444 2.643,445 0.555,446 -0.31,447 -0.375,449 -0.821,450 -0.288,451 13.414,452 0.497,453 0.821,454 0.03,455 34.75,456 1.287,457 17.5,458 0.648,459 17.25,460 0.639,461 23.299,462 0.863,463 29.186,464 0.596,465 25.623,466 0.949,467 6.437,468 0.238,469 6.5,470 0.241,471 0.14,472 0.062,473 0.291,479 0.55,480 1.318,481 0.713,482 1.118,483 0.632,484 0.911,485 0.659,486 1.083,487 0.753,488 0.883,489 0.48,490 0.899,491 0.909,492 1.112,493 0.866,494 0.999,495 0.8,496 1.035,497 0.897,498 1.107,499 1.035,500 1.156,501 0.869,502 1.044,503 1.148,504 0.782,505 0.8,506 0.763,507 1.283,508 0.757,509 1.072,510 1.095,511 0.807,512 0.92,513 1.033,514 1.024,515 0.777,516 0.975,517 1.063,518 1.081,519 0.674,520 1.047,521 1.167,522 0.971,523 0.898,524 0.889,525 1.317,526 0.964,527 6.5,528 0.128,529 4,530 2.674,531 1.323,532 0.889,533 0.626,534 0.433,535 0.308,536 0.204,537 8916,538 23659,539 2.088,540 44.9,542 13,543 1,545 2,547 6,550 1.701,551 1.94,552 3.331,553 0.267,559 83.82,560 1.711,561 3.723,562 4.79,563 5.273,564 5.314,565 5.314,566 2.732,567 4.681,568 4.729,569 3.522,570 1236.32,571 8.211,572 15731.5,574 1,577 275.121,578 1.596,579 4.673,580 0.217,581 0.007,582 0.091,583 0.064,584 0.034,585 0.025,586 0.018,587 0.014,588 0.012,589 0.009,590 0.49,591 0.33,592 1,593 0.584,594 133.306,595 0.083,596 -0.116,597 0.15,598 -0.053,599 -0.129,600 0.039,601 0.188,602 0.039,603 0.037,604 0.056,605 0.28,606 0.026,607 -0.059,608 -0.08,609 0.063,610 -0.005,612 -0.062,613 0.14,614 -0.136,615 0.03,616 -0.13,617 0.2,618 -0.053,619 -0.041,620 0.152,621 0.095,622 0.176,623 -0.044,624 0.219,625 -0.149,626 -0.042,627 -0.039,628 -0.021,629 -0.117,630 -0.094,631 0.071,632 0.034,633 -0.092,634 -0.094,635 0.072,636 -0.065,637 -0.133,638 -0.038,639 0.001,640 0.051,641 -0.182,642 0.014,643 4.657,644 5.693,645 0.741,646 23.023,647 1.004,648 1.121,649 2.743,650 7.521,651 0.695,652 3.434,653 3.807,654 4.078,655 4.344,656 4.454,657 4.533,658 4.718,659 4.86,660 4.89,661 4.99,662 6.289,663 0.648,664 403.97,665 3.434,666 5.004,667 5.866,668 6.767,669 7.643,670 8.547,671 9.428,672 10.332,673 11.217,674 12.121,675 6.1,678 1,680 1,683 1,687 2,688 8,690 1,693 4,695 16,713 1,714 49,716 18,717 2,718 30,720 52,721 20,722 14,723 5,724 7,730 4,731 5,732 1,740 3,743 4,745 14,746 6,750 2,753 1,755 2,761 1,764 22,765 4,766 2,767 7,768 2,773 3,777 0.75,778 2,788 1,789 1,792 2,793 2,796 1,815 1,819 3,821 1,823 1,824 1,827 27,830 1,833 4,834 1,837 1,838 1,846 1,847 4.1,850 2,854 13.917,855 8.843,856 5.736,857 2.923,858 3.042,859 1.402,860 1.022,861 5.102,862 10.606,863 3.714,864 4.379,865 4.93,866 5.53,867 5.982,868 6.275,869 6.727,870 7.104,871 7.222,872 7.567,873 0.857,874 42,875 10.271,877 4.722,878 7.773,879 19.409,881 16.772,883 2.273,884 61.361,886 1,887 1,888 235.422,889 115.005,890 36.315,891 39.149,892 44.313,894 5.807,895 109.198,896 318.884,897 36.315,898 8.396,899 9.709,900 81.189,901 60.718,902 33.476,903 13.915,904 223.651,905 39.149,906 235.422,907 145.512,908 44.313,909 44.956,911 164.795,912 114.94,915 29.619,916 99.488,917 61.361,919 235.422,920 80.628,921 154.154,923 5.807,924 235.422,925 25.42,926 86.902,927 33.191,928 83.462,929 235.422,930 80.628,931 154.154,933 0.597,934 0.35,935 0.186,936 0.087,937 23,938 10,939 0.096,940 5,941 1,942 1.1,943 3.847,944 237.102,945 0.1,946 20,947 126.382,950 1,951 18.665,952 7.38,953 3.817,954 2.056,955 63.842,956 14.03,958 3.291,961 2.025,963 33.191,964 470.204,965 40,968 -3.74,970 25.387,975 49.196,976 54.93,977 0.305,978 0.663,979 0.853,980 0.939,981 0.946,982 0.946,983 4.977,984 1.344,985 5.9,986 3.697,987 4.489,988 5.066,989 0.673,990 6.777,991 4.386,992 6.227,993 1.194,994 7.508,995 3.234,996 4.29,997 5.19,998 0.325,999 7.991,1000 4.074,1001 7.588,1002 1.149,1003 9.229,1004 3.119,1005 6.192,1006 7.424,1007 0.379,1008 11.052,1009 5.973,1010 8.994,1011 1.096,1012 11.02,1013 2.843,1014 6.815,1015 8.381,1016 0.268,1017 13.101,1018 6.472,1019 10.438,1020 0.709,1021 12.857,1022 2.386,1023 8.239,1024 10.158,1025 0.239,1026 15.766,1027 7.88,1028 11.909,1029 0.015,1030 14.727,1031 1.707,1032 9.202,1033 11.457,1034 0.188,1035 18.121,1036 8.728,1037 13.4,1038 -0.213,1039 16.621,1040 0.04,1041 10.467,1042 13.08,1043 0.156,1044 20.685,1045 9.954,1046 3.436,1047 -0.31,1048 18.533,1049 -0.489,1050 11.571,1051 14.52,1052 0.125,1053 23.155,1054 10.953,1055 3.106,1056 12.878,1057 20.46,1058 -0.821,1059 12.787,1060 16.088,1061 0.102,1062 25.698,1063 12.111,1064 2.792,1065 10.419,1066 22.399,1067 4.746,1068 13.95,1069 17.586,1070 0.082,1071 28.212,1072 13.177,1073 2.44,1074 8.629,1075 24.348,1076 4.499,1077 15.156,1078 19.136,1079 0.066,1080 30.754,1081 14.31,1082 2.174,1083 7.401,1084 26.304,1085 3.409,1086 16.345,1087 20.658,1088 0.054,1089 33.288,1090 15.407,1091 1.9,1092 6.349,1093 28.267,1094 3.073,1095 17.552,1096 22.202,1097 0.043,1098 35.833,1099 16.532,1100 1.414,1101 5.824,1102 30.236,1103 2.839,1104 18.755,1105 23.735,1106 0.035,1107 38.376,1108 17.644,1109 8453,1110 14046,1111 19.879,1112 34.046,1113 45.678,1114 46.971,1115 47.094,1116 45.788,1117 45.539,1118 60.283,1119 1.6,1120 137.053,1121 43.185,1122 5.822,1123 6.715,1124 7.083,1125 5.415,1126 5.436,1127 7.746,1128 1.2,1129 20.614,1130 5.126,1131 13.081,1132 1.523,1133 1.566,1134 1.57,1135 1.526,1136 1.518,1137 2.009,1138 0.053,1139 4.568,1140 1.439,1141 4.165,1142 4.189,1143 4.744,1144 4.111,1145 7.717,1146 4.08,1147 4.029,1148 4.013,1149 4.081,1150 3.997,1151 6.999,1152 3.945,1153 3.851,1154 3.917,1155 3.875,1156 3.703,1157 4.967,1158 3.7,1159 3.638,1160 3.645,1161 3.728,1162 3.553,1163 4.904,1164 3.49,1165 3.377,1166 3.401,1167 3.326,1168 3.281,1169 4.387,1170 3.258,1171 3.136,1172 3.249,1173 3.284,1174 2.926,1175 4.339,1176 2.922,1177 3.111,1178 3.192,1179 2.962,1180 2.899,1181 4.305,1182 2.877,1183 2.879,1184 2.933,1185 2.874,1186 2.799,1187 3.819,1188 2.77,1189 0.163,1190 0.157,1191 0.247,1192 0.145,1193 0.115,1194 4.889,1195 0.158,1196 4.715,1197 0.027,1198 7.4,1199 0.429,1200 4.35,1201 0.104,1202 3.436,1203 4.746,1204 0.8,1205 12.878,1206 3.126,1207 1.987,1208 1.989,1209 2.03,1210 2.061,1211 1.32,1212 2.085,1213 1.904,1214 1.891,1215 1.955,1216 1.963,1217 1.189,1218 1.985,1219 1.701,1220 1.648,1221 1.896,1222 1.877,1223 1.137,1224 1.884,1225 1.556,1226 1.48,1227 1.825,1228 1.767,1229 1.069,1230 1.795,1231 1.445,1232 1.465,1233 1.627,1234 1.657,1235 0.75,1236 1.665,1237 1.397,1238 1.334,1239 1.405,1240 1.565,1241 0.597,1242 1.602,1243 1.045,1244 0.977,1245 1.256,1246 1.287,1247 0.502,1248 1.33,1249 0.903,1250 0.824,1251 1.151,1252 1.118,1253 0.341,1254 1.155,1255 4.111,1257 5.468,1258 3.045,1259 7.008,1260 5.352,1261 8.63,1262 7.38,1263 10.297,1265 2.162,1266 6.058,1271 4.515,1272 2.65,1275 0.535,1276 2.392,1280 31.776,1281 83.82,1282 182.45,1283 234.714,1284 258.366,1285 260.366,1286 260.366,1287 51.449,1288 7.564,1289 65.2,1290 73.58,1291 22,1292 12.644,1293 4.248,1294 3.459,1295 40.196,1296 103,1297 86,1298 0.193,1299 200.391,1300 338.24,1301 480.714,1302 20196,1303 2,1304 19.018,1305 0.704,1306 0.617,1307 19.768,1308 16.647,1309 12.937,1310 0.431,1311 0.363,1312 9.08,1313 11.563,1314 8.693,1315 7.186,1316 14.047,1317 10.876,1318 12.405,1319 0.282,1320 0.208,1321 14.058,1322 9.149,1323 10.245,1324 0.177,1325 0.123,1326 11.756,1327 7.154,1328 8.749,1329 0.115,1330 0.07,1331 10.486,1332 5.345,1333 6.205,1334 0.073,1335 0.038,1336 7.214,1337 3.201,1338 0.301,1339 91.506,1340 0.224,1341 25.787,1342 0.534,1343 148,1344 400.846,1345 210.23,1346 443.786,1347 596.22,1348 408,1349 176,1350 392.051,1351 248.199,1352 446.923,1353 653.01,1354 418,1355 7.53} {0 CHEMBL606556,1 1.711,2 10.333,3 4.633,4 21.46,5 111.07,6 8.244,7 0.533,8 3.997,9 4.103,10 3.801,11 3.618,12 4.986,13 3.558,14 4.57,15 4.727,16 4.124,17 4.043,18 5.772,19 3.965,20 4.836,21 5.035,22 4.134,23 4.184,24 5.857,25 4.051,26 4.907,27 5.136,28 4.135,29 4.139,30 5.937,31 3.987,32 4.837,33 5.081,34 4.08,35 4.001,36 5.993,37 3.894,38 4.622,39 4.812,40 3.912,41 3.967,42 5.664,43 3.859,44 4.698,45 4.929,46 3.856,47 3.958,48 5.716,49 3.82,50 4.61,51 4.843,52 3.7,53 3.815,54 5.594,55 3.662,56 0.088,57 0.738,58 11.973,59 4.84,60 15.015,61 5.845,62 0.325,63 1.219,64 20.721,65 8.365,66 50.789,67 10.523,68 0.26,69 1.493,70 32.518,71 11.914,72 40.698,73 14.708,74 0.344,75 1.525,76 40.702,77 13.273,78 58.813,79 16.111,80 0.609,81 1.366,82 37.594,83 11.722,84 85.946,85 14.627,86 0.257,87 1.226,88 23.233,89 8.606,90 35.211,91 10.954,92 0.339,93 1.277,94 29.493,95 10.382,96 40.603,97 13.253,98 0.351,99 1.09,100 28.691,101 9.297,102 57.118,103 11.72,104 17,105 44,106 0.287,107 0.625,108 0.811,109 0.892,110 0.892,111 0.892,112 3.34,113 1.087,114 -3.97,115 -3.93,116 -3.72,119 40.8,121 3,124 1,125 1,127 1,140 7,141 2,142 3,149 1,150 1,169 7,171 1,172 3,174 2,176 5,178 10,182 5,186 7,189 8,193 7,197 2,199 5,203 9,206 1,207 1,208 4,211 7,215 3,220 1,222 8,226 3,229 3,231 1,233 10,242 3,244 8,248 2,249 2,254 1,256 3,259 1064,260 17.919,261 17.919,262 17.919,263 17.919,264 17.919,265 15.751,266 17.543,267 10.316,268 18.391,269 14.815,270 14.815,271 14.815,272 14.815,273 14.815,274 11.477,275 16.275,276 4.909,277 15.642,278 3.904,279 1.891,280 0.784,281 0.301,282 0.301,283 0.301,284 4.032,285 1,288 1,289 1,290 608,291 3.464,294 135.521,295 161.255,298 110.791,302 1.63,303 29.334,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 57.833,315 279,316 4.86,317 4.687,318 7.311,319 4.318,320 3.398,321 4.714,322 0.8,323 12.528,324 3.118,325 4.549,326 3.227,327 6.56,328 4.087,329 3.104,330 4.497,332 10.417,333 3.028,334 3.861,335 2.998,336 6.038,337 3.74,338 2.792,339 3.405,341 8.628,342 2.648,343 3.825,344 2.891,345 5.404,346 3.36,347 2.428,348 3.085,350 6.978,351 2.26,352 3.613,353 2.476,354 5.146,355 3.176,356 2.226,357 2.841,359 6.301,360 2.079,361 3.296,362 2.079,363 5.062,364 2.878,365 1.908,366 2.584,368 5.842,369 1.844,370 2.992,371 1.696,372 4.527,373 2.457,374 1.518,375 2.175,377 4.276,378 1.356,379 2.725,380 1.455,381 4.216,382 2.316,383 1.343,384 1.821,386 3.684,387 1.304,388 2.612,389 1.263,390 3.973,391 2.144,392 1.182,393 1.656,395 3.13,396 1.133,397 2.353,398 1.2,399 3.49,400 2.105,401 1.116,402 1.335,404 2.532,405 1.097,406 2.145,407 1.147,408 3.418,409 2.075,410 1.094,411 1.125,413 2.386,414 1.071,415 2.065,416 0.793,417 3.292,418 1.67,419 0.709,420 0.956,422 1.707,423 0.679,424 1.279,425 0.283,426 3.143,427 0.969,428 0.003,429 0.004,431 0.008,432 0.003,433 1,434 0.2,435 2.754,436 0.689,437 -0.286,438 -0.326,440 -0.779,441 -0.254,442 0.943,443 0.042,444 2.634,445 0.418,446 -0.404,447 -0.51,449 -0.902,450 -0.28,451 13.414,452 0.497,453 0.837,454 0.031,455 34.75,456 1.287,457 17.5,458 0.648,459 17.25,460 0.639,461 23.125,462 0.856,463 29.186,464 0.596,465 25.552,466 0.946,467 6.422,468 0.238,469 6.499,470 0.241,471 0.14,472 0.062,473 0.291,479 0.55,480 1.318,481 0.713,482 1.118,483 0.633,484 0.911,485 0.659,486 1.083,487 0.753,488 0.883,489 0.473,490 0.899,491 0.948,492 1.122,493 1.006,494 1.077,495 0.785,496 1.082,497 0.994,498 1.091,499 0.869,500 1.032,501 1.019,502 1.007,503 0.929,504 0.793,505 0.733,506 0.803,507 1.102,508 0.745,509 1.093,510 1.104,511 0.869,512 0.968,513 1.064,514 1.071,515 0.673,516 0.972,517 0.886,518 1.021,519 0.611,520 0.999,521 1.225,522 0.972,523 0.996,524 0.923,525 1.338,526 0.991,527 7,528 0.131,529 3.778,530 2.299,531 1.563,532 0.778,533 0.667,534 0.449,535 0.239,536 0.245,537 9008,538 24235,539 2.088,540 44.9,542 13,543 1,545 2,547 6,550 1.701,551 1.94,552 3.359,553 0.267,559 83.82,560 1.711,561 3.723,562 4.831,563 5.314,564 5.314,565 5.314,566 2.732,567 4.681,568 4.728,569 3.542,570 1243.27,571 8.208,572 15890.4,574 1,577 275.121,578 1.596,579 4.673,580 0.233,581 0.006,582 0.086,583 0.056,584 0.042,585 0.02,586 0.02,587 0.014,588 0.01,589 0.012,590 0.499,591 0.33,592 1,593 0.584,594 133.573,595 0.083,596 -0.116,597 0.15,598 -0.053,599 -0.131,600 0.039,601 0.188,602 0.039,603 0.037,604 0.056,605 0.287,606 0.026,607 -0.098,608 -0.091,609 -0.079,610 -0.085,611 0.016,612 -0.11,613 -0.039,614 -0.115,615 0.071,616 -0.024,617 0.008,618 -0.02,619 0.21,620 0.137,621 0.209,622 0.142,623 0.155,624 0.233,625 -0.17,626 -0.051,627 -0.103,628 -0.07,629 -0.148,630 -0.143,631 0.112,632 0.041,633 -0.017,634 -0.049,635 0.105,636 -0.019,637 -0.156,638 -0.042,639 -0.04,640 0.026,641 -0.186,642 -0.011,643 4.601,644 5.651,645 0.741,646 23.594,647 1.004,648 1.121,649 2.743,650 7.521,651 0.695,652 3.434,653 3.807,654 4.06,655 4.317,656 4.477,657 4.533,658 4.736,659 4.836,660 4.875,661 4.984,662 6.364,663 0.648,664 403.97,665 3.434,666 5.004,667 5.861,668 6.758,669 7.632,670 8.529,671 9.411,672 10.308,673 11.194,674 12.091,675 6.1,678 1,680 1,683 1,687 2,688 8,690 1,693 4,695 16,713 1,714 49,716 18,717 2,718 30,720 52,721 20,722 14,723 5,724 7,730 4,731 5,732 1,740 3,743 4,745 14,746 6,750 2,753 1,755 2,761 1,764 22,765 4,766 2,767 7,768 2,773 3,777 0.75,778 2,788 1,789 1,792 2,793 2,796 1,815 1,819 3,821 1,823 1,824 1,827 27,830 1,833 4,834 1,837 1,838 1,846 1,847 4.1,850 2,854 13.917,855 8.843,856 5.708,857 2.916,858 3.013,859 1.398,860 1.022,861 5.102,862 10.577,863 3.714,864 4.379,865 4.919,866 5.509,867 6.006,868 6.281,869 6.748,870 7.072,871 7.213,872 7.562,873 0.857,874 41,875 10.255,877 4.698,878 7.773,879 19.409,881 16.767,883 2.273,884 61.361,886 1,887 1,888 235.422,889 115.005,890 36.315,891 39.149,892 44.313,894 5.807,895 109.198,896 318.884,897 36.315,898 8.396,899 9.709,900 81.189,901 60.718,902 33.476,903 13.915,904 223.651,905 39.149,906 235.422,907 145.512,908 44.313,909 44.956,911 164.795,912 114.94,915 29.619,916 99.488,917 61.361,919 235.422,920 80.628,921 154.154,923 5.807,924 235.422,925 25.42,926 86.902,927 33.191,928 83.462,929 235.422,930 80.628,931 154.154,933 0.598,934 0.344,935 0.179,936 0.092,937 23,938 10,939 0.096,940 5,941 1,942 1.1,943 3.865,944 235.931,945 0.1,946 20,947 126.382,950 1,951 18.665,952 7.38,953 3.956,954 2.068,955 63.842,956 13.87,958 3.293,961 2.301,963 33.191,964 470.204,965 40,968 -3.684,970 25.301,975 49.196,976 54.93,977 0.305,978 0.663,979 0.86,980 0.946,981 0.946,982 0.946,983 4.977,984 1.343,985 5.894,986 4.276,987 4.489,988 5.066,989 0.673,990 6.758,991 4.386,992 6.227,993 1.182,994 7.495,995 3.684,996 4.29,997 5.19,998 0.325,999 7.947,1000 4.074,1001 7.586,1002 1.116,1003 9.206,1004 3.13,1005 6.184,1006 7.418,1007 0.379,1008 10.985,1009 5.97,1010 8.989,1011 1.094,1012 10.986,1013 2.532,1014 6.792,1015 8.366,1016 0.268,1017 13.007,1018 6.463,1019 10.428,1020 0.709,1021 12.811,1022 2.386,1023 8.213,1024 10.141,1025 0.239,1026 15.645,1027 7.872,1028 11.893,1029 0.003,1030 14.669,1031 1.707,1032 9.16,1033 11.43,1034 0.188,1035 17.972,1036 8.714,1037 13.379,1038 -0.286,1039 16.551,1040 0.008,1041 10.419,1042 13.051,1043 0.156,1044 20.506,1045 9.939,1046 3.398,1047 -0.404,1048 18.452,1049 -0.779,1050 11.508,1051 14.482,1052 0.125,1053 22.947,1054 10.935,1055 3.104,1056 12.528,1057 20.368,1058 -0.902,1059 12.716,1060 16.047,1061 0.102,1062 25.458,1063 12.091,1064 2.792,1065 10.417,1066 22.295,1067 4.714,1068 13.866,1069 17.538,1070 0.082,1071 27.943,1072 13.154,1073 2.428,1074 8.628,1075 24.232,1076 4.497,1077 15.061,1078 19.083,1079 0.066,1080 30.453,1081 14.285,1082 2.226,1083 6.978,1084 26.177,1085 3.405,1086 16.238,1087 20.599,1088 0.054,1089 32.957,1090 15.379,1091 1.908,1092 6.301,1093 28.128,1094 3.085,1095 17.433,1096 22.137,1097 0.043,1098 35.47,1099 16.502,1100 1.518,1101 5.842,1102 30.084,1103 2.841,1104 18.624,1105 23.664,1106 0.035,1107 37.983,1108 17.611,1109 8538,1110 14277,1111 19.879,1112 34.046,1113 45.793,1114 46.504,1115 46.896,1116 45.889,1117 45.643,1118 60.396,1119 1.6,1120 136.837,1121 43.237,1122 5.794,1123 6.687,1124 6.861,1125 5.382,1126 5.398,1127 7.714,1128 1.2,1129 19.928,1130 5.118,1131 13.207,1132 1.526,1133 1.55,1134 1.563,1135 1.53,1136 1.521,1137 2.013,1138 0.053,1139 4.561,1140 1.441,1141 4.165,1142 4.189,1143 4.738,1144 4.11,1145 7.717,1146 4.08,1147 4.027,1148 4.013,1149 4.081,1150 3.995,1151 6.999,1152 3.942,1153 3.851,1154 3.917,1155 3.915,1156 3.703,1157 4.968,1158 3.701,1159 3.641,1160 3.645,1161 3.729,1162 3.563,1163 4.919,1164 3.499,1165 3.378,1166 3.401,1167 3.331,1168 3.283,1169 4.388,1170 3.26,1171 3.136,1172 3.249,1173 3.213,1174 2.927,1175 4.322,1176 2.923,1177 3.111,1178 3.192,1179 2.961,1180 2.899,1181 4.277,1182 2.877,1183 2.878,1184 2.933,1185 2.874,1186 2.793,1187 3.819,1188 2.766,1189 0.162,1190 0.156,1191 0.244,1192 0.144,1193 0.113,1194 4.86,1195 0.157,1196 4.687,1197 0.027,1198 7.311,1199 0.418,1200 4.318,1201 0.104,1202 3.398,1203 4.714,1204 0.8,1205 12.528,1206 3.118,1207 1.987,1208 1.989,1209 2.03,1210 2.062,1211 1.32,1212 2.087,1213 1.904,1214 1.891,1215 1.95,1216 1.964,1217 1.189,1218 1.985,1219 1.701,1220 1.648,1221 1.896,1222 1.877,1223 1.137,1224 1.884,1225 1.556,1226 1.48,1227 1.825,1228 1.767,1229 1.069,1230 1.795,1231 1.442,1232 1.466,1233 1.627,1234 1.655,1235 0.75,1236 1.661,1237 1.396,1238 1.334,1239 1.405,1240 1.559,1241 0.587,1242 1.597,1243 1.045,1244 0.977,1245 1.254,1246 1.286,1247 0.501,1248 1.33,1249 0.903,1250 0.824,1251 1.149,1252 1.118,1253 0.34,1254 1.155,1255 4.111,1257 5.468,1258 3.045,1259 7.002,1260 5.352,1261 8.616,1262 7.38,1263 10.272,1265 2.164,1266 5.931,1271 4.525,1272 2.663,1275 0.538,1276 2.393,1280 31.776,1281 83.82,1282 182.45,1283 236.714,1284 260.366,1285 260.366,1286 260.366,1287 50.564,1288 7.564,1289 65.2,1290 73.58,1291 22,1292 12.617,1293 4.248,1294 3.459,1295 40.212,1296 104,1297 88,1298 0.191,1299 200.391,1300 338.24,1301 480.714,1302 20196,1303 2,1304 19.018,1305 0.704,1306 0.617,1307 19.768,1308 16.647,1309 12.921,1310 0.431,1311 0.362,1312 9.074,1313 11.5,1314 8.685,1315 7.177,1316 14.03,1317 10.87,1318 12.506,1319 0.284,1320 0.21,1321 14.215,1322 9.237,1323 10.171,1324 0.178,1325 0.12,1326 11.525,1327 6.867,1328 8.431,1329 0.114,1330 0.069,1331 9.759,1332 5.1,1333 6.438,1334 0.074,1335 0.039,1336 7.752,1337 3.374,1338 0.298,1339 91.405,1340 0.224,1341 25.843,1342 0.525,1343 148,1344 400.846,1345 210.23,1346 443.906,1347 595.58,1348 408,1349 175,1350 391.051,1351 240.317,1352 446.008,1353 649.05,1354 417,1355 8.328} {0 CHEMBL609742,1 1.743,2 10.192,3 4.097,4 16.782,5 105.775,6 8.477,7 0.552,8 3.942,9 4.046,10 3.771,11 3.576,12 4.945,13 3.519,14 4.506,15 4.648,16 4.088,17 4,18 5.743,19 3.921,20 4.788,21 4.996,22 4.195,23 4.124,24 5.807,25 3.986,26 4.784,27 4.994,28 4.156,29 4.029,30 6.008,31 3.913,32 4.669,33 4.879,34 3.893,35 3.903,36 5.811,37 3.803,38 4.563,39 4.759,40 3.895,41 3.896,42 5.623,43 3.789,44 4.59,45 4.81,46 3.805,47 3.869,48 5.652,49 3.733,50 4.488,51 4.715,52 3.627,53 3.705,54 5.493,55 3.562,56 0.101,57 0.697,58 10.895,59 4.488,60 15.937,61 5.256,62 0.298,63 1.141,64 18.101,65 7.926,66 50.461,67 9.748,68 0.303,69 1.405,70 33.911,71 11.506,72 42.781,73 13.852,74 0.515,75 1.333,76 37.274,77 11.606,78 77.344,79 13.604,80 0.422,81 1.203,82 29.097,83 9.743,84 62.552,85 11.528,86 0.281,87 1.145,88 21.512,89 8.034,90 37.649,91 10.012,92 0.35,93 1.128,94 28.832,95 9.643,96 41.652,97 11.92,98 0.351,99 0.978,100 24.633,101 8.129,102 56.623,103 9.971,104 10,105 42,106 0.296,107 0.64,108 0.807,109 0.895,110 0.902,111 0.902,112 3.304,113 1.086,114 -3.75,115 -3.71,116 -3.53,119 41.3,121 3,125 1,127 1,140 7,141 2,142 3,149 1,150 1,169 8,171 1,174 2,176 8,178 8,182 2,186 7,189 9,193 10,197 5,199 5,203 6,207 2,208 4,211 5,215 2,220 2,222 10,226 2,229 2,230 1,231 2,233 11,242 2,244 7,249 2,252 2,254 3,256 4,259 964,260 17.471,261 17.471,262 17.471,263 17.471,264 17.471,265 15.275,266 16.439,267 10.219,268 17.869,269 14.342,270 14.342,271 14.342,272 14.342,273 14.342,274 10.997,275 16.14,276 4.871,277 15.073,278 3.781,279 1.759,280 0.775,281 0.261,282 0.217,283 0.217,284 3.998,285 1,287 1,288 1,289 1,290 581,291 3.391,294 129.14,295 154.233,298 105.665,302 1.53,303 30.278,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 55.833,315 265,316 4.889,317 4.715,318 7.4,319 4.35,320 3.436,321 4.746,322 0.4,323 12.878,324 3.125,325 4.549,326 3.188,327 6.555,328 4.08,329 3.096,330 4.499,332 10.399,333 3.029,334 3.864,335 2.842,336 5.654,337 3.519,338 2.551,339 3.409,341 7.474,342 2.467,343 3.671,344 2.699,345 5.458,346 3.361,347 2.423,348 3.064,350 7.191,351 2.255,352 3.511,353 2.407,354 5.164,355 3.115,356 2.156,357 2.725,359 6.269,360 2.047,361 3.237,362 2.01,363 4.979,364 2.837,365 1.862,366 2.405,368 5.593,369 1.811,370 2.864,371 1.629,372 4.164,373 2.354,374 1.414,375 2.022,377 3.458,378 1.276,379 2.716,380 1.358,381 4.078,382 2.274,383 1.292,384 1.811,386 3.204,387 1.263,388 2.657,389 1.301,390 3.604,391 2.151,392 1.168,393 1.711,395 2.846,396 1.137,397 2.279,398 1.172,399 3.438,400 2.09,401 1.115,402 1.244,404 2.538,405 1.084,406 2.07,407 0.804,408 3.264,409 1.671,410 0.71,411 0.957,413 1.696,414 0.68,415 1.618,416 0.794,417 3.129,418 1.567,419 0.618,420 0.618,422 1.372,423 0.585,424 1.276,425 0.547,426 3,427 0.955,433 1.097,434 0.139,435 2.656,436 0.623,437 -0.229,438 -0.281,440 -0.517,441 -0.153,442 1,443 -0.146,444 2.614,445 0.544,446 -0.387,447 -0.463,449 -1.149,450 -0.373,451 12.914,452 0.497,453 0.731,454 0.028,455 34,456 1.308,457 17.5,458 0.673,459 16.5,460 0.635,461 21.34,462 0.821,463 27.886,464 0.606,465 24.45,466 0.94,467 6.26,468 0.241,469 6.267,470 0.241,471 0.107,472 0.065,473 0.271,479 0.57,480 1.213,481 0.708,482 1.065,483 0.639,484 0.859,485 0.591,486 1.171,487 0.763,488 0.965,489 0.494,490 0.982,491 0.904,492 1.066,493 0.841,494 0.954,495 0.804,496 0.987,497 0.969,498 1.056,499 1.053,500 1.119,501 0.93,502 0.96,503 1.318,504 0.911,505 0.932,506 0.894,507 1.464,508 0.896,509 1.093,510 1.025,511 0.803,512 0.876,513 1.044,514 0.991,515 0.747,516 0.967,517 1.067,518 1.091,519 0.683,520 1.025,521 1.269,522 0.938,523 0.948,524 0.882,525 1.421,526 0.967,527 6,528 0.111,529 3.333,530 2.451,531 1.243,532 0.802,533 0.53,534 0.379,535 0.287,536 0.164,537 8167,538 22274,539 2.115,540 43.5,542 10,543 1,545 3,547 6,550 1.691,551 1.987,552 3.324,553 0.974,555 1,559 80.18,560 1.743,561 3.764,562 4.749,563 5.263,564 5.306,565 5.306,566 2.724,567 4.287,568 4.674,569 3.491,570 1134.47,571 8.1,572 14013.2,574 1,576 1,577 254.084,578 1.508,579 4.629,580 0.207,581 0.007,582 0.079,583 0.063,584 0.033,585 0.024,586 0.017,587 0.013,588 0.012,589 0.008,590 0.462,591 0.33,592 1,593 0.54,594 126.682,595 0.057,596 -0.021,597 0.141,598 -0.014,599 -0.135,600 0.069,601 0.21,602 -0.072,603 0.005,604 -0.03,605 0.269,606 -0.064,607 -0.05,608 -0.056,609 0.102,610 0.038,611 -0.002,612 -0.009,613 0.138,614 -0.079,615 0.061,616 -0.074,617 0.209,618 0.029,619 -0.124,620 0.061,621 -0.036,622 0.048,623 -0.109,624 0.053,625 -0.162,626 0.012,627 -0.027,628 0.017,629 -0.123,630 -0.064,631 0.104,632 0.023,633 -0.067,634 -0.085,635 0.092,636 -0.029,637 -0.182,638 0.001,639 -0.028,640 0.064,641 -0.226,642 0.008,643 4.652,644 5.647,645 0.769,646 21.627,647 1.007,648 1.12,649 2.52,650 6.348,651 0.702,652 3.401,653 3.761,654 4.025,655 4.304,656 4.407,657 4.489,658 4.673,659 4.796,660 4.828,661 4.905,662 6.132,663 0.658,664 389.94,665 3.401,666 4.963,667 5.82,668 6.718,669 7.589,670 8.491,671 9.368,672 10.271,673 11.153,674 12.057,675 6.5,677 1,680 1,683 1,687 2,688 8,690 1,693 4,695 16,713 1,714 46,716 18,717 2,718 29,720 49,721 19,722 14,723 5,724 7,730 4,731 5,732 1,740 3,743 4,745 14,746 5,750 2,753 1,755 2,761 1,764 20,765 4,766 3,767 7,768 2,773 3,777 0.75,778 2,788 1,789 1,792 2,793 2,796 1,814 1,819 3,821 1,824 1,827 26,830 1,833 4,834 2,837 1,846 1,847 4.3,850 2,854 13.083,855 7.893,856 5.542,857 2.765,858 3.043,859 1.408,860 1.036,861 4.865,862 10.494,863 3.689,864 4.353,865 4.908,866 5.518,867 5.969,868 6.261,869 6.709,870 7.078,871 7.192,872 7.522,873 0.857,874 39,875 9.897,877 4.584,878 7.802,879 18.627,881 16.146,883 2.302,884 59.861,887 1,888 200.109,889 106.609,890 51.201,891 39.149,892 44.313,894 5.807,895 100.801,896 283.57,897 51.201,899 9.709,900 99.199,901 60.718,902 30.352,903 13.915,904 188.338,905 39.149,906 200.109,907 152.002,908 44.313,909 44.956,911 129.482,912 114.94,915 44.506,916 91.092,917 61.361,919 200.109,920 95.514,921 145.757,923 5.807,924 200.109,925 25.42,926 75.381,927 51.201,928 83.462,929 200.109,930 95.514,931 145.757,933 0.591,934 0.344,935 0.188,936 0.087,937 22,938 9,939 0.102,940 5,941 1,942 1.1,943 3.807,944 224.289,945 0.1,946 20,947 120.211,950 1,951 17.712,952 7.141,953 3.733,954 2.039,955 78.729,956 13.964,958 3.267,961 1.998,963 51.201,964 441.38,965 39,968 -3.735,970 25.294,975 46.313,976 51.515,977 0.316,978 0.681,979 0.86,980 0.953,981 0.961,982 0.961,983 4.942,984 1.292,985 5.844,986 3.458,987 4.443,988 5.04,989 0.278,990 6.711,991 4.344,992 6.188,993 1.168,994 7.441,995 3.204,996 4.205,997 5.156,999 7.921,1000 3.996,1001 7.549,1002 1.115,1003 9.155,1004 2.846,1005 6.133,1006 7.407,1007 0.05,1008 10.986,1009 5.922,1010 8.955,1011 0.71,1012 10.942,1013 2.538,1014 6.735,1015 8.365,1017 13.047,1018 6.4,1019 10.4,1020 0.618,1021 12.778,1022 1.696,1023 8.17,1024 10.148,1025 0.008,1026 15.718,1027 7.82,1028 11.873,1030 14.65,1031 1.372,1032 9.127,1033 11.449,1035 18.086,1036 8.658,1037 13.367,1038 -0.229,1039 16.548,1041 10.4,1042 13.075,1043 0.001,1044 20.657,1045 9.891,1046 3.436,1047 -0.387,1048 18.465,1049 -0.517,1050 11.505,1051 14.516,1053 23.135,1054 10.889,1055 3.096,1056 12.878,1057 20.398,1058 -1.149,1059 12.728,1060 16.086,1062 25.682,1063 12.051,1064 2.551,1065 10.399,1066 22.343,1067 4.746,1068 13.895,1069 17.585,1071 28.201,1072 13.12,1073 2.423,1074 7.474,1075 24.298,1076 4.499,1077 15.106,1078 19.135,1080 30.745,1081 14.256,1082 2.156,1083 7.191,1084 26.26,1085 3.409,1086 16.301,1087 20.657,1089 33.282,1090 15.356,1091 1.862,1092 6.269,1093 28.229,1094 3.064,1095 17.512,1096 22.201,1098 35.828,1099 16.485,1100 1.414,1101 5.593,1102 30.203,1103 2.725,1104 18.72,1105 23.735,1107 38.372,1108 17.599,1109 7695,1110 12949,1111 19.474,1112 32.284,1113 43.574,1114 45.201,1115 44.464,1116 43.903,1117 43.682,1118 58.422,1119 0.8,1120 129.837,1121 41.518,1122 5.821,1123 6.715,1124 7.083,1125 5.415,1126 5.436,1127 7.746,1128 0.8,1129 20.614,1130 5.125,1131 10.835,1132 1.503,1133 1.559,1134 1.533,1135 1.514,1136 1.506,1137 2.015,1138 0.028,1139 4.477,1140 1.432,1141 4.164,1142 4.187,1143 4.744,1144 4.111,1145 7.717,1146 4.08,1147 4.028,1148 4.013,1149 4.08,1150 3.997,1151 6.999,1152 3.945,1153 3.825,1154 3.892,1155 3.875,1156 3.68,1157 4.967,1158 3.674,1159 3.637,1160 3.644,1161 3.692,1162 3.551,1163 4.904,1164 3.489,1165 3.375,1166 3.399,1167 3.322,1168 3.279,1169 4.404,1170 3.255,1171 3.111,1172 3.192,1173 3.284,1174 2.926,1175 4.339,1176 2.922,1177 2.879,1178 2.935,1179 2.96,1180 2.799,1181 4.306,1182 2.77,1183 2.862,1184 2.922,1185 2.692,1186 2.738,1187 3.81,1188 2.718,1189 0.169,1190 0.163,1191 0.255,1192 0.15,1193 0.118,1194 4.889,1195 0.164,1196 4.715,1197 0.014,1198 7.4,1199 0.444,1200 4.35,1201 0.108,1202 3.436,1203 4.746,1204 0.4,1205 12.878,1206 3.125,1207 1.987,1208 1.989,1209 2.029,1210 2.061,1211 1.314,1212 2.085,1213 1.903,1214 1.891,1215 1.954,1216 1.963,1217 1.189,1218 1.984,1219 1.692,1220 1.639,1221 1.893,1222 1.859,1223 1.128,1224 1.871,1225 1.529,1226 1.466,1227 1.786,1228 1.735,1229 1.031,1230 1.763,1231 1.441,1232 1.456,1233 1.555,1234 1.639,1235 0.688,1236 1.654,1237 1.334,1238 1.263,1239 1.291,1240 1.538,1241 0.596,1242 1.561,1243 0.99,1244 0.94,1245 1.155,1246 1.19,1247 0.35,1248 1.212,1249 0.868,1250 0.824,1251 1.093,1252 1.02,1253 0.189,1254 1.063,1255 4.078,1257 5.425,1258 3.045,1259 6.956,1260 5.283,1261 8.572,1262 7.273,1263 10.236,1266 6.042,1271 4.373,1272 6.137,1275 0.484,1280 30.25,1281 80.18,1282 173.148,1283 218.432,1284 242.084,1285 244.084,1286 244.084,1287 48.712,1288 7.451,1289 73.99,1290 82.37,1291 22,1292 12.58,1293 4.248,1294 3.459,1295 38.026,1296 96,1297 85,1298 0.195,1299 190.799,1300 320.94,1301 457.309,1302 17465,1303 2.2,1304 18.148,1305 0.698,1306 0.604,1307 18.898,1308 15.7,1309 12.527,1310 0.432,1311 0.362,1312 8.713,1313 11.19,1314 8.395,1315 6.92,1316 13.637,1317 10.497,1318 11.888,1319 0.283,1320 0.206,1321 13.54,1322 8.666,1323 9.711,1324 0.177,1325 0.121,1326 11.222,1327 6.656,1328 8.462,1329 0.116,1330 0.069,1331 10.199,1332 5.05,1333 5.913,1334 0.073,1335 0.037,1336 6.922,1337 2.958,1338 0.303,1339 88.837,1340 0.227,1341 25.007,1342 0.539,1343 142,1344 389.533,1345 203.869,1346 432.852,1347 581.56,1348 398,1349 168,1350 381.346,1351 239.366,1352 434.415,1353 635.69,1354 408,1355 6} {0 CHEMBL6310,1 1.468,2 6.2,3 2.011,4 4.044,5 60.042,6 6.975,7 0.588,8 3.49,9 3.616,10 3.022,11 3.018,12 4.484,13 2.997,14 4.043,15 4.223,16 3.366,17 3.429,18 4.967,19 3.384,20 4.219,21 4.43,22 3.361,23 3.535,24 5.085,25 3.447,26 4.234,27 4.469,28 3.146,29 3.458,30 5.048,31 3.32,32 4.095,33 4.372,34 2.781,35 3.185,36 4.831,37 3.011,38 3.84,39 4.144,40 2.416,41 2.827,42 4.527,43 2.643,44 3.438,45 3.721,46 1.995,47 2.31,48 4.182,49 2.153,50 2.846,51 3.054,52 1.47,53 1.96,54 3.624,55 1.796,56 0.029,57 0.432,58 6.626,59 2.635,60 4.926,61 3.619,62 0.119,63 0.7,64 12.427,65 4.455,66 11.769,67 6.225,68 0.147,69 0.813,70 15.019,71 5.563,72 13.527,73 7.885,74 0.161,75 0.79,76 15.461,77 5.687,78 14.365,79 8.287,80 0.106,81 0.632,82 13.899,83 5,84 13.4,85 7.358,86 0.099,87 0.473,88 11.006,89 3.573,90 10.129,91 5.452,92 0.169,93 0.268,94 7.686,95 2.326,96 10.201,97 3.266,98 0.059,99 0.165,100 3.87,101 1.319,102 4.747,103 1.783,104 3,105 24,106 0.284,107 0.673,108 0.836,109 0.868,110 0.868,111 0.868,112 2.798,113 0.929,114 -2.42,115 -2.45,116 -2.4,119 41.4,121 1,124 1,125 2,140 3,141 2,142 1,150 2,169 4,172 2,176 4,178 5,182 1,185 1,186 3,189 4,193 1,195 1,197 2,199 2,203 1,208 2,215 1,220 1,229 1,259 161,260 10.525,261 10.525,262 10.525,263 10.525,264 10.525,265 9.395,266 12.683,267 6.181,268 10.821,269 8.353,270 8.353,271 8.353,272 8.353,273 8.353,274 6.489,275 14.568,276 2.866,277 8.73,278 3.39,279 1.381,280 0.535,281 0.371,282 0.371,283 0.371,284 3.476,288 1,289 1,290 205,291 1.871,294 18.057,295 51.622,298 73.388,302 1.04,303 7.544,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 32,315 93,316 4.642,317 3.344,318 6.756,319 4.191,320 3.209,321 4.593,322 0.86,323 11.099,324 3.15,325 3.852,326 2.825,327 5.657,328 3.462,329 2.504,330 3.319,331 0.657,332 7.561,333 2.397,334 3.336,335 2.316,336 5.182,337 2.972,338 2.022,339 2.597,341 6.159,342 1.913,343 3.174,344 1.969,345 4.838,346 2.726,347 1.762,348 2.468,350 5.231,351 1.695,352 2.494,353 1.61,354 3.818,355 2.313,356 1.366,357 1.493,359 3.044,360 1.292,361 2.356,362 1.324,363 3.599,364 2.083,365 1.112,366 1.33,368 2.726,369 1.076,370 1.706,371 1.029,372 3.053,373 1.424,374 0.526,375 0.598,377 1.002,378 0.466,379 1.525,380 0.404,381 2.821,382 1.191,383 0.272,384 0.336,386 0.529,387 0.25,388 0.748,389 -0.229,390 2.281,391 0.357,392 -0.588,393 -0.709,395 -1.332,396 -0.549,397 0.655,398 -0.519,399 2.214,400 0.266,401 -0.703,402 -0.868,404 -1.895,405 -0.679,406 0.246,407 -0.607,408 2,409 0.04,410 -0.922,411 -1.071,413 -2.248,414 -0.878,415 0.117,416 -1.032,417 1.829,418 -0.221,419 -1.191,420 -1.571,422 -3.515,423 -1.156,424 -0.3,425 -1.231,426 1.331,427 -0.685,428 -1.574,429 -1.881,431 -4.12,432 -1.393,433 -0.5,434 -1.656,435 1.086,436 -0.895,437 -1.87,438 -2.173,440 -5.289,441 -1.776,442 -0.551,443 -1.77,444 0.763,445 -0.988,446 -1.924,447 -2.617,449 -5.698,450 -1.869,451 7.133,452 0.476,453 0.291,454 0.019,455 18.5,456 1.233,457 8.5,458 0.567,459 10,460 0.667,461 10.035,462 0.669,463 16.267,464 0.561,465 10.201,466 0.68,467 3.736,468 0.249,469 3.645,470 0.243,471 0.07,473 0.35,479 0.998,480 1.253,481 0.845,482 1.052,483 0.913,484 0.938,485 1.324,486 1.032,487 0.928,488 0.867,489 1.084,490 0.849,491 0.966,492 1.01,493 1.006,494 1.011,495 0.901,496 1.011,497 0.739,498 1.162,499 1.128,500 1.206,501 0.917,502 1.213,503 0.763,504 1.073,505 1.001,506 1.121,507 0.894,508 1.097,509 0.826,510 0.959,511 0.965,512 0.999,513 0.933,514 0.988,515 1.848,516 0.661,517 1.091,518 0.785,519 1.656,520 0.861,521 2.159,522 1.308,523 1.681,524 1.384,525 2.036,526 1.498,527 2.5,529 1.556,530 1.326,531 0.506,532 0.372,533 0.162,534 0.041,535 0.031,537 1615,538 3588,539 2.186,540 48.3,542 10,545 2,547 2,550 1.533,551 2.093,552 2.681,553 0.431,557 1,559 42.559,560 1.468,561 3.477,562 4.323,563 4.487,564 4.487,565 4.487,566 2.206,567 3.374,568 3.878,569 2.707,570 284.236,571 6.509,572 2232.52,574 1,577 140.881,578 1.231,579 3.859,580 0.147,582 0.065,583 0.058,584 0.03,585 0.034,586 0.023,587 0.01,588 0.016,590 0.382,591 1,592 1,593 0.781,594 57.05,595 -0.059,596 -0.059,597 0.064,598 -0.001,599 -0.008,600 0.045,601 -0.17,602 0.063,603 0.028,604 0.133,605 -0.044,606 0.11,607 -0.056,608 0.041,609 -0.066,610 -0.018,611 -0.007,612 -0.041,613 0.035,614 -0.162,615 -0.197,616 -0.226,617 -0.08,618 -0.24,619 0.003,620 -0.175,621 -0.047,622 -0.158,623 -0.021,624 -0.115,625 0.002,626 -0.071,627 0.017,628 -0.085,629 -0.032,630 -0.033,631 0.028,632 0.121,633 -0.006,634 0.112,635 -0.069,636 0.05,637 -0.457,638 -0.424,639 -0.674,640 -0.429,641 -0.551,642 -0.577,643 0.756,644 1.719,645 0.867,646 7.547,647 0.994,648 1.127,649 1.187,650 1.409,651 0.656,652 2.89,653 3.219,654 3.555,655 3.871,656 4.111,657 4.174,658 4.304,659 4.344,660 4.043,661 3.892,662 3.707,663 0.618,664 202.28,665 2.89,666 4.419,667 5.293,668 6.188,669 7.084,670 7.989,671 8.892,672 9.801,673 10.707,674 11.617,675 6.9,677 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 29,716 10,717 1,718 17,720 31,721 12,722 8,723 3,724 3,730 3,731 6,740 1,743 1,745 8,746 4,761 1,764 14,765 2,766 2,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 2,814 1,819 1,823 1,827 15,833 3,834 1,835 1,847 3.4,852 1,854 7.167,855 5.417,856 3.333,857 1.715,858 2.124,859 1.333,860 1.041,861 2.094,862 8.499,863 3.135,864 3.79,865 4.473,866 5.143,867 5.683,868 6.042,869 6.431,870 6.729,871 6.491,872 6.426,873 1,874 23,875 5.536,876 -0.001,877 2.341,878 7.456,879 10.95,881 9.227,883 1.956,884 29.333,885 0.008,888 141.253,889 61.961,890 34.796,892 11,895 61.961,896 152.253,897 34.796,898 10.883,899 6.746,900 46.439,902 38.787,903 4.901,904 141.253,906 141.253,907 96.757,908 11,911 117.711,912 34.542,915 41.542,916 55.215,919 141.253,920 45.796,921 61.961,924 141.253,925 22.649,926 39.312,927 34.796,928 11,929 141.253,930 45.796,931 61.961,933 0.575,934 0.353,935 0.203,936 0.114,937 14,938 5,939 0.032,940 1,941 2,942 1.308,943 2.782,944 105.362,945 0.308,946 13,947 58.603,951 9.098,952 3.453,953 1.4,954 2.523,955 29.011,956 6.237,958 3.448,961 3.699,963 34.796,964 249.01,965 22,975 28.833,976 32.697,977 0.302,978 0.716,979 0.89,980 0.924,981 0.924,982 0.924,983 4.363,984 0.272,985 5.273,986 1.002,987 3.892,988 4.472,989 1.207,990 6.116,991 3.818,992 5.575,993 -0.588,994 6.843,995 0.529,996 3.434,997 4.407,999 7.066,1000 3.353,1001 6.903,1002 -0.703,1003 8.515,1004 -1.332,1005 5.501,1006 6.797,1007 0.903,1008 10.205,1009 5.38,1010 8.276,1011 -0.922,1012 10.25,1013 -1.895,1014 5.916,1015 7.618,1017 12.03,1018 5.79,1019 9.688,1020 -1.191,1021 12.026,1022 -2.248,1023 7.431,1024 9.475,1025 0.678,1026 14.68,1027 7.278,1028 11.126,1029 -1.574,1030 13.83,1031 -3.515,1032 8.26,1033 10.694,1035 16.862,1036 8.1,1037 12.585,1038 -1.87,1039 15.655,1040 -4.12,1041 9.552,1042 12.346,1043 0.512,1044 19.352,1045 9.373,1046 3.209,1047 -1.924,1048 17.497,1049 -5.289,1050 10.571,1051 13.742,1053 21.673,1054 10.381,1055 2.504,1056 11.099,1057 19.352,1058 -5.698,1059 11.778,1060 15.315,1061 0.387,1062 24.108,1063 11.571,1064 2.022,1065 7.561,1066 21.217,1067 4.593,1068 12.88,1069 16.785,1071 26.482,1072 12.659,1073 1.762,1074 6.159,1075 23.091,1076 3.319,1077 14.057,1078 18.327,1079 0.293,1080 28.899,1081 13.819,1082 1.366,1083 5.231,1084 24.971,1085 2.597,1086 15.194,1087 19.829,1089 31.293,1090 14.941,1091 1.112,1092 3.044,1093 26.857,1094 2.468,1095 16.361,1096 21.36,1097 0.221,1098 33.703,1099 16.091,1100 0.526,1101 2.726,1102 28.748,1103 1.493,1104 17.513,1105 22.874,1107 36.105,1108 17.226,1109 1593,1110 2429,1111 11.731,1112 19.034,1113 25.463,1114 25.992,1115 26.276,1116 25.479,1117 25.545,1118 33.471,1119 3.035,1120 74.703,1121 24.477,1122 5.585,1123 5.344,1124 6.437,1125 5.227,1126 5.209,1127 7.593,1128 1.72,1129 18.142,1130 5.15,1131 4.529,1132 1.498,1133 1.529,1134 1.546,1135 1.499,1136 1.503,1137 1.969,1138 0.179,1139 4.394,1140 1.44,1141 4.155,1142 4.188,1143 4.116,1144 4.067,1145 4.991,1146 4.075,1147 3.657,1148 3.71,1149 3.557,1150 3.512,1151 4.623,1152 3.515,1153 3.324,1154 3.393,1155 3.183,1156 3.076,1157 4.229,1158 3.089,1159 3.16,1160 3.242,1161 2.988,1162 2.947,1163 3.998,1164 2.946,1165 2.979,1166 3.077,1167 2.766,1168 2.765,1169 3.634,1170 2.751,1171 2.841,1172 2.911,1173 2.664,1174 2.712,1175 3.439,1176 2.691,1177 2.398,1178 2.51,1179 2.188,1180 2.188,1181 3.047,1182 2.177,1183 2.211,1184 2.333,1185 1.951,1186 1.885,1187 2.897,1188 1.884,1189 0.273,1190 0.197,1191 0.397,1192 0.247,1193 0.189,1194 4.642,1195 0.27,1196 3.344,1197 0.051,1198 6.756,1199 0.653,1200 4.191,1201 0.185,1202 3.209,1203 4.593,1204 0.86,1205 11.099,1206 3.15,1207 1.939,1208 1.921,1209 2.031,1210 2.023,1211 1.286,1212 2.025,1213 1.767,1214 1.713,1215 1.929,1216 1.964,1217 1.089,1218 1.96,1219 1.243,1220 1.177,1221 1.575,1222 1.547,1223 0.718,1224 1.552,1225 1.172,1226 1.094,1227 1.466,1228 1.424,1229 0.578,1230 1.441,1231 0.976,1232 0.885,1233 1.278,1234 1.243,1235 0.413,1236 1.27,1237 0.855,1238 0.793,1239 1.099,1240 1.024,1241 0.244,1242 1.054,1243 0.644,1244 0.558,1245 0.955,1246 0.886,1247 0.047,1248 0.919,1249 0.187,1250 0.031,1251 0.709,1252 0.553,1254 0.617,1255 3.555,1257 4.875,1258 2.398,1259 6.415,1260 4.844,1261 8.052,1262 7.05,1263 9.737,1265 1.7,1271 3.139,1272 3.368,1273 5.219,1280 17.918,1281 42.559,1282 100.842,1283 125.372,1284 130.127,1285 130.127,1286 130.127,1287 13.026,1288 6.375,1289 37.05,1290 37.05,1291 17,1292 12.133,1293 3.459,1294 2.585,1295 19.9,1296 35,1297 34,1298 0.32,1299 109.574,1300 177.51,1301 259.12,1302 3979,1304 10.251,1305 0.683,1306 0.584,1307 10.251,1308 8.762,1309 7.381,1310 0.434,1311 0.31,1312 5.183,1313 7.089,1314 5.045,1315 4.173,1316 7.381,1317 5.265,1318 6.455,1319 0.269,1320 0.163,1321 6.455,1322 3.92,1323 5.85,1324 0.172,1325 0.09,1326 5.85,1327 3.055,1328 5.072,1329 0.108,1330 0.049,1331 5.072,1332 2.281,1333 4.233,1334 0.071,1335 0.027,1336 4.233,1337 1.624,1338 0.466,1339 46.312,1340 0.292,1341 14.788,1342 0.978,1343 82,1344 204.401,1345 88.32,1346 197.163,1347 279.45,1348 188,1349 99,1350 210.926,1351 105.516,1352 215.894,1353 317.65,1354 203,1355 5} {0 CHEMBL63167,1 1.596,2 14.543,3 5.197,4 27.007,5 130.151,6 7.832,7 0.538,8 4.239,9 4.366,10 3.842,11 3.762,12 5.335,13 3.756,14 4.836,15 5.014,16 4.292,17 4.196,18 6.273,19 4.173,20 5.102,21 5.322,22 4.242,23 4.359,24 6.16,25 4.283,26 5.229,27 5.476,28 4.244,29 4.37,30 6.31,31 4.276,32 5.238,33 5.514,34 4.162,35 4.285,36 6.286,37 4.192,38 5.107,39 5.355,40 4.2,41 4.203,42 6.441,43 4.131,44 5.092,45 5.354,46 4.009,47 4.127,48 6.168,49 4.04,50 4.985,51 5.269,52 3.767,53 3.984,54 6.025,55 3.869,56 0.125,57 1.238,58 11.682,59 5.882,60 25.94,61 7.204,62 0.912,63 2.377,64 25.503,65 10.18,66 147.987,67 12.682,68 0.62,69 2.429,70 35.672,71 14.18,72 84.514,73 17.98,74 0.794,75 2.628,76 43.22,77 16.109,78 105.887,79 20.928,80 1.015,81 2.516,82 47.261,83 15.723,84 154.464,85 20.397,86 1.28,87 2.636,88 39.743,89 13.427,90 214.382,91 17.271,92 0.956,93 2.184,94 40.059,95 13.016,96 140.261,97 16.47,98 1.12,99 1.792,100 37.567,101 10.881,102 125.56,103 14.584,104 18,105 57,106 0.255,107 0.577,108 0.745,109 0.822,110 0.846,111 0.852,112 3.588,113 0.909,114 -6.78,115 -6.6,116 -6.11,119 41.9,121 5,125 3,129 1,131 1,140 7,141 4,142 1,149 1,150 1,158 2,164 1,169 12,171 2,172 5,176 3,178 16,182 3,186 3,189 12,193 7,197 1,199 10,203 7,206 1,211 8,215 6,218 1,222 6,226 5,229 2,233 4,236 1,237 4,242 2,244 6,256 8,259 2211,260 23.402,261 23.402,262 23.402,263 23.402,264 23.402,265 21.001,266 25.676,267 13.58,268 24.053,269 19.27,270 19.27,271 19.27,272 19.27,273 19.27,274 15.679,275 26.373,276 6.443,277 20.436,278 4.358,279 2.341,280 1.293,281 0.811,282 0.657,283 0.625,284 4.291,289 1,290 1121,291 4.123,294 189.455,295 355.667,298 161.967,302 2.299,303 52.592,306 0.75,307 0.67,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.75,314 78.5,315 509,316 4.568,317 4.471,318 7.26,319 4.326,320 3.412,321 4.518,322 3.825,323 12.37,324 3.166,325 4.558,326 3.721,327 6.982,328 4.155,329 3.251,330 4.005,331 0.8,332 11.766,333 3.062,334 4.264,335 3.196,336 6.566,337 4.099,338 3.118,339 3.731,341 10.431,342 2.921,343 4.129,344 2.886,345 6.095,346 3.689,347 2.753,348 3.276,350 8.884,351 2.577,352 3.612,353 2.785,354 5.561,355 3.356,356 2.436,357 2.82,359 7.25,360 2.227,361 3.453,362 2.679,363 5.303,364 3.218,365 2.298,366 2.811,368 6.833,369 2.062,370 3.37,371 2.184,372 5.126,373 3.008,374 2.029,375 2.593,377 6,378 1.976,379 3.246,380 1.795,381 4.514,382 2.73,383 1.776,384 2.398,386 4.655,387 1.69,388 2.872,389 1.566,390 4.176,391 2.441,392 1.442,393 2.024,395 3.49,396 1.439,397 2.743,398 1.376,399 4.133,400 2.318,401 1.333,402 1.848,404 3.437,405 1.312,406 2.583,407 1.334,408 3.802,409 2.118,410 1.156,411 1.616,413 2.826,414 1.096,415 2.43,416 1.178,417 3.638,418 2.099,419 1.134,420 1.406,422 2.562,423 1.089,424 2.267,425 1.077,426 3.512,427 1.984,428 1,429 1.21,431 2.372,432 0.983,433 2.118,434 0.944,435 3.372,436 1.864,437 0.899,438 1,440 2.104,441 0.865,442 2,443 0.7,444 3.298,445 1.572,446 0.618,447 0.927,449 1.492,450 0.587,451 16.143,452 0.461,453 1.038,454 0.03,455 41,456 1.171,457 18,458 0.514,459 23,460 0.657,461 34.742,462 0.993,463 39.057,464 0.63,465 33.034,466 0.944,467 7.988,468 0.228,469 8.819,470 0.252,471 0.071,472 0.062,473 0.235,474 1,476 3,479 0.547,480 1.043,481 0.684,482 1.1,483 0.534,484 0.981,485 0.54,486 0.834,487 0.79,488 0.98,489 0.427,490 0.965,491 0.815,492 0.971,493 0.997,494 1.106,495 0.759,496 1.112,497 0.817,498 1.014,499 0.965,500 1.143,501 0.812,502 1.122,503 1.017,504 0.962,505 0.958,506 0.93,507 1.037,508 0.929,509 0.824,510 0.944,511 0.947,512 1.03,513 0.801,514 1.031,515 1.18,516 1.058,517 1.147,518 1.042,519 1.206,520 1.075,521 1.109,522 0.74,523 1.204,524 0.816,525 1.13,526 0.975,527 8.5,528 0.181,529 4.667,530 2.444,531 1.837,532 1.41,533 0.748,534 0.386,535 0.324,536 0.244,537 21447,538 66009,539 2.109,540 43.5,541 2,542 13,543 1,544 2,545 1,547 4,548 4,550 1.761,551 1.981,552 3.778,553 -0.345,559 98.957,560 1.596,561 3.613,562 4.661,563 5.143,564 5.297,565 5.329,566 3.194,567 4.651,568 5.105,569 4.041,570 2404.57,571 8.921,572 39994.5,577 369.16,578 1.522,579 5.054,580 0.218,581 0.006,582 0.082,583 0.045,584 0.036,585 0.03,586 0.016,587 0.01,588 0.011,589 0.008,590 0.462,591 0.33,592 0.63,593 0.651,594 193.522,595 -0.004,596 -0.076,597 0.046,598 -0.031,599 -0.047,600 0.008,601 0.273,602 0.183,603 0.065,604 0.04,605 0.344,606 0.002,607 -0.07,608 -0.061,609 -0.101,610 -0.081,611 -0.024,612 -0.094,613 -0.009,614 -0.127,615 -0.014,616 -0.132,617 0.004,618 -0.093,619 -0.068,620 -0.054,621 0.064,622 0.052,623 -0.07,624 0.09,625 0.173,626 0.034,627 0.051,628 -0.042,629 0.207,630 -0.037,631 -0.131,632 -0.076,633 -0.123,634 -0.07,635 -0.147,636 -0.089,637 -0.09,638 0.182,639 -0.162,640 0.112,641 -0.139,642 -0.005,643 5.716,644 7.465,645 0.743,646 40.405,647 1.017,648 1.149,649 5.555,650 30.855,651 0.656,652 3.689,653 4.06,654 4.304,655 4.564,656 4.745,657 4.836,658 4.913,659 5.017,660 5.1,661 5.165,662 8.894,663 0.637,664 485.58,665 3.689,666 5.263,667 6.116,668 7.015,669 7.884,670 8.784,671 9.659,672 10.559,673 11.437,674 12.337,675 8.1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,714 62,716 21,717 2,718 39,720 66,721 26,722 16,723 5,724 7,730 5,731 6,736 1,740 2,741 1,742 1,743 5,745 16,746 10,747 1,748 1,762 4,764 27,765 7,766 1,767 9,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 4,827 35,833 8,838 1,839 2,844 1,846 4,854 17.667,855 10.955,856 7.403,857 3.848,858 3.769,859 1.447,860 1.017,861 6.59,862 12.205,863 3.922,864 4.533,865 5.104,866 5.689,867 6.123,868 6.458,869 6.87,870 7.257,871 7.443,872 7.671,873 1,874 54,875 13.562,877 6.45,878 8.043,879 24.655,881 21.081,883 2.543,884 89,888 306.049,889 136.398,890 55.135,893 59.84,895 136.398,896 306.049,897 114.975,899 18.99,900 75.381,901 74.105,902 81.576,903 28.875,904 270.735,905 7.76,906 306.049,907 191.533,908 59.84,911 226.84,912 139.049,915 65.795,916 92.412,917 33.326,919 365.889,920 55.135,921 136.398,924 313.808,925 36.02,926 97.642,927 16.786,928 93.166,929 306.049,930 114.975,931 136.398,933 0.595,934 0.337,935 0.178,936 0.093,937 29,938 12,939 0.106,940 7,941 1,942 1.077,943 4.665,944 329.411,945 0.077,946 26,947 166.77,951 23.877,952 9.66,953 5.381,954 2.22,955 96.291,956 16.843,957 7.723,958 3.314,961 1.521,962 1.861,963 16.786,964 557.422,965 49.5,975 63.047,976 71.248,977 0.268,978 0.607,979 0.783,980 0.864,981 0.89,982 0.895,983 5.194,984 1.776,985 6.155,986 6,987 4.745,988 5.22,989 3.082,990 7.029,991 4.634,992 6.421,993 1.442,994 7.761,995 4.655,996 4.575,997 5.094,998 3.911,999 8.321,1000 4.304,1001 7.755,1002 1.333,1003 9.483,1004 3.49,1005 6.472,1006 7.432,1007 5.422,1008 11.315,1009 6.235,1010 9.126,1011 1.156,1012 11.276,1013 3.437,1014 7.116,1015 8.146,1016 6.69,1017 13.388,1018 6.729,1019 10.53,1020 1.134,1021 13.114,1022 2.826,1023 8.535,1024 9.971,1025 8.058,1026 16,1027 8.152,1028 11.957,1029 1,1030 14.982,1031 2.562,1032 9.503,1033 11.076,1034 9.389,1035 18.334,1036 9,1037 13.401,1038 0.899,1039 16.872,1040 2.372,1041 10.764,1042 12.696,1043 10.734,1044 20.849,1045 10.234,1046 3.412,1047 0.618,1048 18.776,1049 2.104,1050 11.865,1051 13.994,1052 12.074,1053 23.276,1054 11.237,1055 3.251,1056 12.37,1057 20.691,1058 1.492,1059 13.075,1060 15.529,1061 13.416,1062 25.766,1063 12.4,1064 3.118,1065 11.766,1066 22.615,1067 4.518,1068 14.23,1069 16.922,1070 14.758,1071 28.229,1072 13.471,1073 2.753,1074 10.431,1075 24.546,1076 4.005,1077 15.427,1078 18.425,1079 16.1,1080 30.716,1081 14.608,1082 2.436,1083 8.884,1084 26.483,1085 3.731,1086 16.605,1087 19.866,1088 17.441,1089 33.195,1090 15.71,1091 2.298,1092 7.25,1093 28.424,1094 3.276,1095 17.8,1096 21.357,1097 18.783,1098 35.684,1099 16.84,1100 2.029,1101 6.833,1102 30.369,1103 2.82,1104 18.991,1105 22.824,1106 20.124,1107 38.171,1108 17.956,1109 19856,1110 35072,1111 26.118,1112 40.677,1113 60.037,1114 58.798,1115 59.619,1116 59.396,1117 59.066,1118 74.615,1119 9.251,1120 177.035,1121 55.733,1122 5.568,1123 6.471,1124 6.939,1125 5.386,1126 5.412,1127 7.518,1128 5.335,1129 19.963,1130 5.166,1131 16.247,1132 1.539,1133 1.508,1134 1.529,1135 1.523,1136 1.515,1137 1.913,1138 0.237,1139 4.539,1140 1.429,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 8.513,1146 4.071,1147 3.995,1148 4.03,1149 3.94,1150 3.913,1151 8.188,1152 3.912,1153 3.842,1154 3.91,1155 3.79,1156 3.691,1157 7.999,1158 3.694,1159 3.816,1160 3.877,1161 3.738,1162 3.585,1163 7.999,1164 3.622,1165 3.545,1166 3.61,1167 3.414,1168 3.395,1169 5.135,1170 3.393,1171 3.319,1172 3.374,1173 3.323,1174 3.148,1175 4.927,1176 3.154,1177 3.305,1178 3.361,1179 3.21,1180 3.024,1181 4.694,1182 3.067,1183 3.166,1184 3.248,1185 3.018,1186 2.973,1187 4.301,1188 2.977,1189 0.117,1190 0.115,1191 0.186,1192 0.111,1193 0.087,1194 4.568,1195 0.116,1196 4.471,1197 0.098,1198 7.26,1199 0.317,1200 4.326,1201 0.081,1202 3.412,1203 4.518,1204 3.825,1205 12.37,1206 3.166,1207 1.965,1208 1.938,1209 2.093,1210 2.081,1211 1.441,1212 2.087,1213 1.955,1214 1.929,1215 2.041,1216 2.05,1217 1.287,1218 2.047,1219 1.81,1220 1.757,1221 1.976,1222 1.967,1223 1.158,1224 1.972,1225 1.659,1226 1.606,1227 1.862,1228 1.823,1229 1.094,1230 1.838,1231 1.412,1232 1.34,1233 1.594,1234 1.667,1235 0.825,1236 1.646,1237 1.342,1238 1.28,1239 1.513,1240 1.543,1241 0.778,1242 1.542,1243 1.154,1244 1.09,1245 1.5,1246 1.442,1247 0.641,1248 1.429,1249 1.153,1250 1.064,1251 1.426,1252 1.44,1253 0.578,1254 1.39,1255 4.369,1257 5.727,1258 3.045,1259 7.265,1260 5.283,1261 8.884,1262 7.286,1263 10.548,1267 55.355,1271 4.019,1276 2.213,1277 -6.07,1280 39.489,1281 98.957,1282 224.025,1283 288.979,1284 318.896,1285 328.405,1286 330.405,1287 82.478,1288 8.436,1289 49.74,1290 49.74,1291 28,1292 12.863,1293 4.459,1294 3.524,1295 52.669,1296 193,1297 151,1298 0.132,1299 235.622,1300 408.48,1301 566.678,1302 68542,1303 6.5,1304 24.468,1305 0.699,1306 0.549,1307 21.045,1308 19.231,1309 16.806,1310 0.431,1311 0.303,1312 11.615,1313 15.995,1314 11.457,1315 9.355,1316 15.259,1317 11.822,1318 16.285,1319 0.286,1320 0.164,1321 13.454,1322 9.341,1323 12.945,1324 0.177,1325 0.095,1326 11.748,1327 6.971,1328 10.857,1329 0.114,1330 0.053,1331 9.691,1332 5.007,1333 8.389,1334 0.074,1335 0.031,1336 7.519,1337 3.583,1338 0.215,1339 106.48,1340 0.196,1341 32.888,1342 0.338,1343 192,1344 731.358,1345 223.115,1346 604.735,1347 795.48,1348 562,1349 226,1350 565.697,1351 251.014,1352 548.478,1353 819.52,1354 515,1355 9.611} {0 CHEMBL63258,1 1.605,2 14.727,3 3.322,4 11.037,5 126.154,6 7.526,7 0.568,8 4.206,9 4.331,10 3.787,11 3.721,12 5.27,13 3.712,14 4.786,15 4.961,16 4.176,17 4.136,18 5.965,19 4.11,20 5.056,21 5.275,22 4.123,23 4.263,24 6.08,25 4.182,26 5.113,27 5.361,28 4.107,29 4.241,30 6.065,31 4.144,32 5.112,33 5.374,34 4.128,35 4.158,36 6.219,37 4.088,38 5.012,39 5.263,40 4.026,41 4.106,42 6.091,43 4.042,44 4.944,45 5.181,46 4.017,47 4.096,48 6.046,49 4.001,50 4.958,51 5.235,52 3.828,53 4.01,54 5.902,55 3.898,56 0.071,57 1.052,58 12.173,59 5.531,60 15.965,61 7.108,62 0.506,63 1.852,64 24.924,65 9.342,66 66.948,67 12.062,68 0.688,69 2.095,70 35.775,71 12.851,72 71.653,73 16.602,74 0.504,75 2.09,76 38.751,77 13.87,78 55.749,79 18.86,80 0.798,81 2.33,82 41.109,83 13.589,84 104.288,85 17.442,86 0.737,87 2.095,88 36.703,89 11.78,90 94.981,91 14.778,92 0.787,93 1.853,94 32.42,95 11.355,96 77.6,97 15.584,98 0.514,99 1.759,100 34.416,101 11.001,102 61.313,103 15.511,104 5,105 52,106 0.258,107 0.587,108 0.761,109 0.83,110 0.837,111 0.837,112 3.531,113 0.913,114 -5.35,115 -5.23,116 -4.89,119 41.7,121 3,125 4,127 1,130 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 10,171 2,172 7,176 3,178 11,182 5,186 3,189 7,192 1,193 8,199 4,203 7,206 1,211 7,215 4,218 1,222 6,226 6,229 2,233 4,236 1,237 4,242 2,244 2,249 2,256 3,259 2099,260 22.532,261 22.532,262 22.532,263 22.532,264 22.532,265 20.093,266 25.499,267 13.395,268 23.129,269 18.334,270 18.334,271 18.334,272 18.334,273 18.334,274 14.768,275 29.752,276 6.45,277 19.372,278 4.301,279 2.257,280 1.171,281 0.746,282 0.7,283 0.7,284 4.24,288 1,289 1,290 1084,291 3.742,294 176.999,295 342.656,298 150.769,302 2.419,303 37.745,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 72.5,315 486,316 4.586,317 4.023,318 6.815,319 4.203,320 3.282,321 4.521,322 1.51,323 11.338,324 3.096,325 4.226,326 3.17,327 6.511,328 3.992,329 3.052,330 3.734,331 1.151,332 10.251,333 2.782,334 4.099,335 3.018,336 6.091,337 3.672,338 2.737,339 3.445,340 0.8,341 8.867,342 2.555,343 3.904,344 2.866,345 5.49,346 3.581,347 2.635,348 3.239,350 7.373,351 2.51,352 3.593,353 2.75,354 5.328,355 3.451,356 2.476,357 2.758,359 6.922,360 2.385,361 3.373,362 2.465,363 5.135,364 3.016,365 2.095,366 2.609,368 6.237,369 1.94,370 3.235,371 2.093,372 5.015,373 2.881,374 1.923,375 2.543,377 5.758,378 1.811,379 3.098,380 1.789,381 4.513,382 2.716,383 1.76,384 2.155,386 4.654,387 1.677,388 2.894,389 1.641,390 4.121,391 2.483,392 1.493,393 2.013,395 3.37,396 1.477,397 2.715,398 1.289,399 3.641,400 2.218,401 1.247,402 1.813,404 3.149,405 1.208,406 2.5,407 1.092,408 3.474,409 2,410 1,411 1.5,413 2.275,414 1,415 2.39,416 1.077,417 3.414,418 1.984,419 1,420 1.34,422 2.155,423 0.983,424 2.118,425 1,426 3.318,427 1.888,428 0.927,429 1,431 2.136,432 0.888,433 2.09,434 0.978,435 3.247,436 1.614,437 0.707,438 0.927,440 1.658,441 0.633,442 2,443 0.705,444 3.184,445 1.576,446 0.633,447 0.911,449 1.549,450 0.595,451 15.405,452 0.467,453 0.788,454 0.024,455 40,456 1.212,457 18,458 0.545,459 22,460 0.667,461 30.308,462 0.918,463 36.195,464 0.603,465 30.388,466 0.921,467 7.973,468 0.242,469 8.083,470 0.245,471 0.037,472 0.032,473 0.247,475 2,479 0.638,480 1.153,481 0.732,482 1.132,483 0.551,484 0.991,485 0.883,486 0.978,487 0.917,488 1.008,489 0.626,490 0.974,491 1.211,492 1.003,493 1.171,494 1.084,495 1.219,496 1.118,497 0.88,498 1.041,499 0.918,500 1.078,501 0.747,502 1.032,503 1.395,504 1.223,505 0.983,506 0.974,507 1.7,508 0.912,509 1.638,510 1.189,511 1.163,512 0.902,513 1.833,514 0.918,515 0.722,516 1.058,517 0.987,518 1.15,519 0.947,520 1.141,521 0.946,522 0.971,523 0.987,524 0.962,525 0.885,526 0.974,527 7,528 0.144,529 3.333,530 1.694,531 1.627,532 1.146,533 0.65,534 0.485,535 0.294,536 0.278,537 18605,538 48303,539 2.161,540 45,542 17,543 1,544 2,545 1,548 6,550 1.747,551 2.073,552 3.807,553 -0.352,555 1,559 96.325,560 1.605,561 3.65,562 4.736,563 5.161,564 5.207,565 5.207,566 3.268,567 4.499,568 5.012,569 4.017,570 2121.09,571 8.752,572 33300.3,574 1,577 354.413,578 1.284,579 4.993,580 0.189,581 0.005,582 0.064,583 0.036,584 0.036,585 0.025,586 0.015,587 0.012,588 0.009,589 0.009,590 0.402,591 0.33,592 0.88,593 0.398,594 178.816,595 0.005,596 -0.115,597 0.065,598 -0.066,599 -0.036,600 -0.005,601 0.066,602 0.068,603 -0.015,604 -0.001,605 0.173,606 -0.02,607 -0.101,608 0.057,609 -0.197,610 -0.067,611 -0.112,612 -0.137,613 0.002,614 -0.175,615 0.056,616 -0.081,617 0.036,618 -0.022,619 -0.023,620 -0.044,621 0.093,622 0.029,623 -0.064,624 0.072,625 -0.219,626 0.03,627 -0.096,628 0.087,629 -0.2,630 0.04,631 0.254,632 -0.039,633 -0.012,634 -0.152,635 0.09,636 -0.151,637 -0.053,638 -0.075,639 0.017,640 -0.014,641 -0.007,642 0.013,643 4.07,644 7.028,645 0.788,646 42.432,647 1.008,648 1.139,649 4.115,650 16.936,651 0.658,652 3.638,653 3.97,654 4.205,655 4.477,656 4.654,657 4.727,658 4.905,659 5.017,660 5.063,661 5.147,662 8.515,663 0.632,664 451.57,665 3.638,666 5.187,667 6.028,668 6.909,669 7.764,670 8.649,671 9.513,672 10.4,673 11.27,674 12.159,675 8.3,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 60,716 21,717 2,718 37,720 64,721 25,722 16,723 4,724 8,730 5,731 6,738 1,740 3,743 5,745 16,746 9,761 1,762 2,764 27,765 6,766 1,767 8,773 5,777 0.8,778 1,788 1,792 2,793 3,796 1,815 1,818 1,819 4,825 2,827 33,833 7,835 1,837 1,838 1,839 1,844 1,846 2,847 1.7,851 1,854 15.917,855 10.502,856 7.083,857 3.61,858 3.518,859 1.43,860 1.016,861 6.432,862 11.7,863 3.882,864 4.466,865 5.022,866 5.611,867 6.049,868 6.382,869 6.845,870 7.261,871 7.477,872 7.727,873 0.9,874 47,875 12.428,877 5.548,878 7.785,879 23.57,881 19.906,883 2.285,884 75.417,887 1,888 306.049,889 136.277,890 55.135,892 11,893 29.92,895 136.277,896 317.049,897 85.055,899 18.513,900 84.857,901 85.105,902 65.254,903 13.915,904 270.735,906 306.049,907 191.412,908 40.92,911 235.422,912 100.547,913 11,914 1.824,915 57.559,916 98.702,917 33.326,919 335.969,920 66.135,921 136.277,924 307.873,925 32.358,926 107.118,927 16.786,928 74.246,929 306.049,930 96.055,931 136.277,933 0.583,934 0.326,935 0.177,936 0.092,937 26,938 10,939 0.125,940 8,941 1,942 1.077,943 4.621,944 301.16,945 0.077,946 26,947 150.465,951 22.059,952 9.622,953 5.428,954 1.642,955 77.37,956 20.624,957 7.632,958 3.116,961 2.595,962 1.762,963 16.786,964 538.38,965 47.5,975 60.465,976 68.363,977 0.272,978 0.618,979 0.802,980 0.874,981 0.881,982 0.881,983 5.125,984 1.76,985 6.023,986 5.758,987 4.654,988 5.153,989 2.216,990 6.832,991 4.546,992 6.321,993 1.493,994 7.577,995 4.654,996 4.29,997 4.879,998 0.325,999 7.881,1000 4.054,1001 7.622,1002 1.247,1003 9.236,1004 3.37,1005 6.286,1006 7.323,1007 2.732,1008 10.885,1009 6.057,1010 8.959,1011 1,1012 10.961,1013 3.149,1014 6.758,1015 7.935,1016 0.268,1017 12.76,1018 6.395,1019 10.33,1020 1,1021 12.729,1022 2.275,1023 8.219,1024 9.823,1025 3.389,1026 15.327,1027 7.852,1028 11.725,1029 0.927,1030 14.525,1031 2.155,1032 9.059,1033 10.874,1034 0.188,1035 17.517,1036 8.574,1037 13.138,1038 0.707,1039 16.343,1040 2.136,1041 10.32,1042 12.529,1043 4.117,1044 19.959,1045 9.811,1046 3.282,1047 0.633,1048 18.176,1049 1.658,1050 11.33,1051 13.806,1052 0.125,1053 22.274,1054 10.722,1055 3.052,1056 11.338,1057 20.021,1058 1.549,1059 12.517,1060 15.364,1061 4.887,1062 24.682,1063 11.868,1064 2.737,1065 10.251,1066 21.877,1067 4.521,1068 13.605,1069 16.754,1070 0.082,1071 27.048,1072 12.873,1073 2.635,1074 8.867,1075 23.74,1076 3.734,1077 14.768,1078 18.273,1079 5.68,1080 29.45,1081 13.986,1082 2.476,1083 7.373,1084 25.609,1085 3.445,1086 15.894,1087 19.721,1088 0.054,1089 31.839,1090 15.04,1091 2.095,1092 6.922,1093 27.484,1094 3.239,1095 17.053,1096 21.226,1097 6.486,1098 34.243,1099 16.143,1100 1.923,1101 6.237,1102 29.364,1103 2.758,1104 18.199,1105 22.702,1106 0.035,1107 36.643,1108 17.224,1109 17043,1110 27665,1111 25.424,1112 39.495,1113 56.181,1114 55.476,1115 55.197,1116 55.433,1117 55.286,1118 70.655,1119 6.922,1120 158.434,1121 52.298,1122 5.586,1123 6.023,1124 6.617,1125 5.263,1126 5.282,1127 7.521,1128 3.02,1129 18.375,1130 5.096,1131 10.373,1132 1.518,1133 1.499,1134 1.492,1135 1.498,1136 1.494,1137 1.91,1138 0.187,1139 4.282,1140 1.413,1141 4.156,1142 4.193,1143 4.117,1144 4.062,1145 8.358,1146 4.07,1147 3.933,1148 3.972,1149 3.85,1150 3.852,1151 7.999,1152 3.846,1153 3.852,1154 3.913,1155 3.797,1156 3.692,1157 5.135,1158 3.697,1159 3.818,1160 3.883,1161 3.735,1162 3.584,1163 4.924,1164 3.622,1165 3.578,1166 3.629,1167 3.507,1168 3.38,1169 4.79,1170 3.4,1171 3.305,1172 3.364,1173 3.211,1174 3.129,1175 4.525,1176 3.142,1177 3.215,1178 3.273,1179 3.093,1180 3.016,1181 4.252,1182 3.019,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.15,1188 2.91,1189 0.124,1190 0.109,1191 0.184,1192 0.114,1193 0.089,1194 4.586,1195 0.122,1196 4.023,1197 0.041,1198 6.815,1199 0.306,1200 4.203,1201 0.084,1202 3.282,1203 4.521,1204 1.51,1205 11.338,1206 3.096,1207 1.959,1208 1.936,1209 2.056,1210 2.06,1211 1.399,1212 2.058,1213 1.909,1214 1.881,1215 2.034,1216 2.037,1217 1.231,1218 2.038,1219 1.82,1220 1.764,1221 2.006,1222 1.973,1223 1.131,1224 1.988,1225 1.64,1226 1.593,1227 1.803,1228 1.827,1229 1.041,1230 1.821,1231 1.403,1232 1.334,1233 1.562,1234 1.668,1235 0.825,1236 1.638,1237 1.316,1238 1.26,1239 1.513,1240 1.542,1241 0.748,1242 1.533,1243 1.166,1244 1.11,1245 1.492,1246 1.442,1247 0.607,1248 1.429,1249 1.153,1250 1.064,1251 1.429,1252 1.408,1253 0.58,1254 1.412,1255 4.317,1257 5.645,1258 3.045,1259 7.151,1260 5.283,1261 8.734,1262 7.286,1263 10.36,1267 30.056,1271 2.83,1273 5.994,1275 0.125,1276 1.861,1277 -2.82,1280 37.91,1281 96.325,1282 219.001,1283 284.149,1284 309.659,1285 312.413,1286 312.413,1287 63.152,1288 8.182,1289 58.97,1290 58.97,1291 28,1292 12.693,1293 4.459,1294 3.524,1295 48.178,1296 167,1297 179,1298 0.136,1299 227.63,1300 387.83,1301 547.176,1302 49436,1303 3.3,1304 22.675,1305 0.687,1306 0.555,1307 20.882,1308 18.331,1309 16.056,1310 0.434,1311 0.304,1312 11.073,1313 15.315,1314 10.896,1315 8.927,1316 15.348,1317 11.264,1318 14.92,1319 0.287,1320 0.168,1321 13.278,1322 8.718,1323 11.999,1324 0.182,1325 0.094,1326 11.53,1327 6.235,1328 10.237,1329 0.118,1330 0.052,1331 9.52,1332 4.491,1333 7.895,1334 0.076,1335 0.03,1336 7.34,1337 3.103,1338 0.221,1339 101.383,1340 0.198,1341 31.439,1342 0.352,1343 178,1344 586.871,1345 201.313,1346 513.986,1347 690.07,1348 482,1349 207,1350 498.576,1351 228.629,1352 491.969,1353 720.86,1354 462,1355 7.469} {0 CHEMBL63432,1 1.534,2 14.939,3 4.162,4 17.318,5 128.191,6 7.387,7 0.568,8 4.217,9 4.353,10 3.786,11 3.73,12 5.276,13 3.714,14 4.79,15 4.987,16 4.133,17 4.149,18 5.809,19 4.111,20 5.059,21 5.293,22 4.103,23 4.3,24 6.019,25 4.202,26 5.139,27 5.399,28 4.054,29 4.302,30 6.009,31 4.169,32 5.173,33 5.467,34 4.022,35 4.199,36 6.105,37 4.081,38 4.997,39 5.264,40 3.972,41 4.114,42 5.98,43 4.019,44 4.937,45 5.19,46 3.956,47 4.104,48 5.862,49 3.997,50 4.979,51 5.257,52 3.81,53 4.022,54 5.94,55 3.907,56 0.052,57 1.096,58 12.732,59 5.419,60 10.973,61 7.31,62 0.297,63 1.784,64 25.316,65 8.928,66 27.226,67 12.33,68 0.522,69 2.128,70 35.648,71 12.824,72 53.665,73 17.484,74 0.289,75 2.135,76 39.149,77 14.635,78 47.285,79 20.768,80 0.677,81 2.185,82 44.026,83 13.978,84 85.12,85 19.726,86 0.666,87 1.933,88 35.711,89 11.299,90 67.97,91 15.782,92 0.366,93 1.799,94 31.845,95 11.209,96 41.031,97 16.068,98 0.54,99 1.841,100 35.506,101 11.112,102 71.683,103 15.406,104 5,105 51,106 0.246,107 0.562,108 0.723,109 0.83,110 0.84,111 0.861,112 3.531,113 0.926,114 -5.61,115 -5.48,116 -5.12,119 41,121 2,125 6,127 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 3,176 3,178 10,181 1,182 4,186 3,189 7,193 8,199 3,203 8,206 1,211 1,215 6,218 1,226 6,229 2,236 1,237 3,244 1,249 2,252 1,256 2,259 2053,260 22.687,261 22.687,262 22.687,263 22.687,264 22.687,265 20.223,266 24.109,267 13.504,268 23.264,269 18.319,270 18.319,271 18.319,272 18.319,273 18.319,274 14.674,275 24.464,276 6.49,277 19.289,278 4.397,279 2.424,280 1.421,281 0.754,282 0.689,283 0.557,284 4.241,288 1,289 1,290 1098,291 3.391,294 178.147,295 341.855,298 151.966,302 2.433,303 30.975,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 72,315 493,316 4.571,317 3.243,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.131,326 3.062,327 6.098,328 3.705,329 2.77,330 3.732,331 0.8,332 8.897,333 2.613,334 4.044,335 2.994,336 5.58,337 3.663,338 2.711,339 3.648,341 7.649,342 2.588,343 3.704,344 2.902,345 5.502,346 3.579,347 2.631,348 2.848,350 7.436,351 2.459,352 3.499,353 2.771,354 5.296,355 3.304,356 2.376,357 2.692,359 6.783,360 2.198,361 3.344,362 2.508,363 5.12,364 3.031,365 2.086,366 2.604,368 6.157,369 1.966,370 3.268,371 2.36,372 4.74,373 2.889,374 1.94,375 2.544,377 5.279,378 1.825,379 3.2,380 2.038,381 4.647,382 2.751,383 1.807,384 2.299,386 4.856,387 1.701,388 2.892,389 1.787,390 4.506,391 2.648,392 1.702,393 1.941,395 4.646,396 1.592,397 2.689,398 1.312,399 4.072,400 2.207,401 1.237,402 1.763,404 3.308,405 1.197,406 2.667,407 1.286,408 3.49,409 2.195,410 1.209,411 1.738,413 2.629,414 1.186,415 2.383,416 1.146,417 3.414,418 1.967,419 1,420 1.331,422 2.275,423 0.965,424 2.118,425 0.975,426 3.341,427 1.883,428 0.922,429 1,431 2.146,432 0.884,433 2.077,434 0.83,435 3.233,436 1.683,437 0.708,438 0.927,440 1.683,441 0.688,442 2,443 0.702,444 3.188,445 1.573,446 0.618,447 0.898,449 1.511,450 0.588,451 15.471,452 0.469,453 0.708,454 0.021,455 40.25,456 1.22,457 18,458 0.545,459 22.25,460 0.674,461 29.667,462 0.899,463 36.129,464 0.592,465 29.703,466 0.9,467 8.094,468 0.245,469 8.043,470 0.244,471 0.037,473 0.304,474 1,477 1,479 0.618,480 1.219,481 0.75,482 1.144,483 0.498,484 1.008,485 0.925,486 1.003,487 0.957,488 0.957,489 0.672,490 0.949,491 1.025,492 0.958,493 1.127,494 1.058,495 1,496 1.103,497 0.642,498 1.053,499 0.926,500 1.191,501 0.617,502 1.139,503 1.104,504 0.974,505 0.92,506 0.884,507 1.189,508 0.872,509 1.186,510 0.944,511 1.046,512 0.902,513 1.259,514 0.938,515 0.678,516 1.018,517 0.924,518 1.133,519 0.679,520 1.095,521 1.301,522 1.065,523 1.137,524 1,525 1.337,526 1.026,527 6.5,528 0.111,529 3.111,530 1.507,531 1.463,532 0.927,533 0.549,534 0.426,535 0.232,536 0.248,537 19273,538 50927,539 2.168,540 45.9,542 20,543 1,544 2,545 1,547 4,550 1.746,551 2.084,552 3.847,553 -0.352,559 93.563,560 1.534,561 3.507,562 4.51,563 5.177,564 5.242,565 5.373,566 3.279,567 4.741,568 5.015,569 4.067,570 2147.12,571 8.744,572 34513.2,574 1,577 361.775,578 1.182,579 4.999,580 0.176,581 0.004,582 0.061,583 0.032,584 0.034,585 0.023,586 0.014,587 0.011,588 0.007,589 0.009,590 0.37,591 0.33,592 0.75,593 0.398,594 180.084,595 0.014,596 -0.162,597 0.068,598 -0.078,599 0.004,600 -0.014,601 -0.094,602 0.023,603 -0.055,604 0.032,605 -0.003,606 0.008,607 -0.087,608 0.062,609 -0.177,610 -0.042,611 -0.065,612 -0.11,613 0.032,614 -0.206,615 0.012,616 -0.171,617 0.047,618 -0.104,619 -0.009,620 -0.013,621 0.119,622 0.088,623 -0.03,624 0.122,625 -0.035,626 0.095,627 -0.027,628 0.072,629 -0.077,630 0.034,631 0.084,632 -0.131,633 0.023,634 -0.143,635 0.024,636 -0.092,637 -0.136,638 -0.048,639 -0.103,640 -0.038,641 -0.118,642 -0.057,643 2.263,644 7.027,645 0.788,646 42.244,647 1.004,648 1.142,649 4.383,650 19.213,651 0.656,652 3.638,653 3.951,654 4.205,655 4.466,656 4.635,657 4.71,658 4.852,659 4.97,660 5.03,661 5.106,662 8.857,663 0.627,664 450.59,665 3.638,666 5.176,667 6.019,668 6.887,669 7.742,670 8.613,671 9.476,672 10.35,673 11.217,674 12.093,675 9.8,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 61,716 21,717 2,718 37,720 65,721 25,722 16,723 5,724 7,728 1,730 5,731 6,743 3,745 16,746 9,762 2,764 28,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,825 2,827 33,833 8,837 1,838 2,844 1,846 2,854 15.833,855 10.702,856 7.167,857 3.727,858 3.581,859 1.435,860 1.023,861 6.701,862 11.819,863 3.882,864 4.466,865 5.039,866 5.625,867 6.057,868 6.394,869 6.82,870 7.236,871 7.445,872 7.679,873 0.9,874 47,875 12.289,877 5.311,878 7.737,879 23.732,881 19.987,883 2.237,884 73.833,887 1,888 317.82,889 135.467,890 58.259,893 29.92,895 135.467,896 317.82,897 88.179,899 19.883,900 75.381,901 74.105,902 45.755,903 43.835,904 282.506,906 317.82,907 193.726,908 29.92,911 300.656,912 47.084,915 62.053,916 98.347,917 33.326,919 347.74,920 58.259,921 135.467,924 319.999,925 40.669,926 100.766,927 16.786,928 63.246,929 317.82,930 88.179,931 135.467,933 0.579,934 0.33,935 0.18,936 0.092,937 25,938 10,939 0.123,940 8,941 1,942 1.077,943 4.675,944 296.455,945 0.077,946 26,947 158.465,951 22.059,952 10.025,953 5.428,954 2.034,955 69.495,956 18.072,957 7.718,958 3.256,961 2.781,962 1.844,963 16.786,964 541.466,965 47.5,975 61.239,976 69.652,977 0.259,978 0.591,979 0.76,980 0.873,981 0.884,982 0.906,983 5.113,984 1.807,985 5.984,986 5.279,987 4.635,988 5.153,989 1.072,990 6.751,991 4.537,992 6.293,993 1.702,994 7.509,995 4.856,996 4.111,997 4.844,998 0.57,999 7.526,1000 3.938,1001 7.578,1002 1.237,1003 9.129,1004 4.646,1005 6.188,1006 7.321,1007 0.653,1008 10.605,1009 6.007,1010 8.898,1011 1.209,1012 10.805,1013 3.308,1014 6.494,1015 7.924,1016 0.479,1017 12.236,1018 6.252,1019 10.253,1020 1,1021 12.519,1022 2.629,1023 8.001,1024 9.825,1025 0.432,1026 14.81,1027 7.75,1028 11.632,1029 0.922,1030 14.259,1031 2.275,1032 8.701,1033 10.879,1034 0.346,1035 16.821,1036 8.409,1037 13.032,1038 0.708,1039 16.021,1040 2.146,1041 9.968,1042 12.539,1043 0.291,1044 19.224,1045 9.665,1046 3.126,1047 0.618,1048 17.799,1049 1.683,1050 10.868,1051 13.82,1052 0.237,1053 21.41,1054 10.538,1055 2.77,1056 10.462,1057 19.59,1058 1.511,1059 12.033,1060 15.378,1061 0.195,1062 23.757,1063 11.69,1064 2.711,1065 8.897,1066 21.392,1067 4.519,1068 13.035,1069 16.77,1070 0.158,1071 26.023,1072 12.674,1073 2.631,1074 7.649,1075 23.205,1076 3.732,1077 14.16,1078 18.288,1079 0.129,1080 28.356,1081 13.787,1082 2.376,1083 7.436,1084 25.025,1085 3.648,1086 15.214,1087 19.734,1088 0.104,1089 30.659,1090 14.829,1091 2.086,1092 6.783,1093 26.853,1094 2.848,1095 16.326,1096 21.238,1097 0.084,1098 32.991,1099 15.929,1100 1.94,1101 6.157,1102 28.687,1103 2.692,1104 17.41,1105 22.712,1106 0.068,1107 35.313,1108 17.002,1109 17659,1110 28862,1111 25.542,1112 40.046,1113 55.698,1114 55.161,1115 55.63,1116 55.159,1117 55.003,1118 70.552,1119 3.2,1120 154.382,1121 52.227,1122 5.571,1123 5.243,1124 6.169,1125 5.174,1126 5.126,1127 7.519,1128 1.2,1129 17.208,1130 5.068,1131 11.141,1132 1.505,1133 1.491,1134 1.504,1135 1.491,1136 1.487,1137 1.907,1138 0.086,1139 4.172,1140 1.412,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.202,1146 4.07,1147 3.949,1148 3.994,1149 3.88,1150 3.865,1151 8.19,1152 3.863,1153 3.845,1154 3.912,1155 3.792,1156 3.651,1157 5.135,1158 3.665,1159 3.814,1160 3.882,1161 3.725,1162 3.578,1163 4.925,1164 3.616,1165 3.561,1166 3.627,1167 3.452,1168 3.379,1169 4.645,1170 3.388,1171 3.354,1172 3.424,1173 3.231,1174 3.201,1175 4.362,1176 3.196,1177 3.252,1178 3.323,1179 3.132,1180 3.078,1181 4.252,1182 3.081,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.94,1188 2.91,1189 0.124,1190 0.088,1191 0.178,1192 0.111,1193 0.084,1194 4.571,1195 0.122,1196 3.243,1197 0.022,1198 6.572,1199 0.283,1200 4.106,1201 0.083,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.06,1210 2.064,1211 1.363,1212 2.065,1213 1.919,1214 1.889,1215 2.036,1216 2.044,1217 1.255,1218 2.043,1219 1.793,1220 1.727,1221 1.974,1222 1.974,1223 1.178,1224 1.979,1225 1.642,1226 1.586,1227 1.827,1228 1.827,1229 1.065,1230 1.83,1231 1.417,1232 1.345,1233 1.642,1234 1.672,1235 0.85,1236 1.652,1237 1.375,1238 1.309,1239 1.546,1240 1.585,1241 0.825,1242 1.591,1243 1.246,1244 1.178,1245 1.513,1246 1.458,1247 0.695,1248 1.471,1249 1.153,1250 1.064,1251 1.463,1252 1.442,1253 0.579,1254 1.429,1255 4.317,1257 5.631,1258 3.045,1259 7.122,1260 5.283,1261 8.694,1262 7.286,1263 10.31,1267 28.374,1271 6.099,1275 -0.929,1276 4.585,1280 38.217,1281 93.563,1282 213.908,1283 275.104,1284 315.775,1285 319.775,1286 327.775,1287 57.791,1288 8.239,1289 52.98,1290 52.98,1291 28,1292 12.634,1293 4.459,1294 3.524,1295 48.269,1296 177,1297 163,1298 0.129,1299 230.428,1300 390.04,1301 554.003,1302 54271,1303 3.3,1304 22.623,1305 0.686,1306 0.561,1307 20.882,1308 18.5,1309 16.136,1310 0.436,1311 0.309,1312 11.23,1313 15.386,1314 11.053,1315 9.051,1316 15.348,1317 11.421,1318 14.558,1319 0.285,1320 0.171,1321 13.278,1322 8.737,1323 12.104,1324 0.183,1325 0.098,1326 11.53,1327 6.436,1328 10.261,1329 0.119,1330 0.053,1331 9.52,1332 4.588,1333 7.813,1334 0.077,1335 0.031,1336 7.34,1337 3.177,1338 0.212,1339 101.803,1340 0.198,1341 31.61,1342 0.33,1343 176,1344 562.781,1345 194.846,1346 495.8,1347 667.5,1348 466,1349 205,1350 480.809,1351 224.1,1352 477.307,1353 692.96,1354 449,1355 8.42} {0 CHEMBL63799,1 1.491,2 15,3 4.916,4 24.169,5 128.995,6 7.252,7 0.568,8 4.224,9 4.357,10 3.776,11 3.765,12 5.267,13 3.738,14 4.803,15 4.99,16 4.149,17 4.196,18 5.813,19 4.146,20 5.11,21 5.345,22 4.125,23 4.345,24 6.077,25 4.241,26 5.189,27 5.454,28 4.014,29 4.337,30 6.078,31 4.19,32 5.163,33 5.46,34 3.944,35 4.244,36 5.961,37 4.091,38 5.026,39 5.296,40 3.955,41 4.162,42 5.933,43 4.05,44 4.982,45 5.235,46 3.974,47 4.138,48 6.04,49 4.024,50 4.995,51 5.279,52 3.736,53 4.052,54 5.877,55 3.91,56 0.036,57 1.085,58 13.146,59 5.817,60 11.435,61 7.763,62 0.187,63 1.819,64 25.62,65 10.039,66 24.275,67 13.589,68 0.4,69 2.281,70 38.078,71 14.283,72 63.657,73 18.908,74 0.464,75 2.249,76 42.298,77 15.588,78 68.347,79 21.607,80 0.395,81 2.03,82 42.269,83 14.866,84 60.207,85 21.516,86 0.424,87 1.949,88 36.352,89 12.48,90 60.4,91 17.334,92 0.498,93 2.009,94 34.067,95 12.163,96 87.114,97 16.892,98 0.496,99 1.802,100 36.012,101 11.642,102 65.347,103 16.371,104 5,105 52,106 0.238,107 0.568,108 0.74,109 0.834,110 0.859,111 0.859,112 3.531,113 0.948,114 -6.59,115 -6.41,116 -5.94,119 41.9,121 6,125 3,129 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 3,178 15,182 3,186 3,189 12,193 7,197 1,199 9,203 7,206 1,211 9,215 5,218 1,222 6,226 5,229 2,233 6,236 1,237 4,242 2,244 5,249 1,256 7,259 1973,260 22.585,261 22.585,262 22.585,263 22.585,264 22.585,265 20.121,266 25.767,267 13.29,268 23.047,269 18.27,270 18.27,271 18.27,272 18.27,273 18.27,274 14.616,275 26.108,276 6.324,277 19.079,278 4.463,279 2.398,280 1.321,281 0.734,282 0.581,283 0.581,284 4.24,288 1,289 1,290 1102,291 3.464,294 179.366,295 341.669,298 153.217,302 2.364,303 32.093,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 71.5,315 495,316 4.568,317 3.694,318 6.973,319 4.226,320 3.282,321 4.518,322 0.8,323 11.782,324 3.079,325 4.287,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,332 10.431,333 3.062,334 4.129,335 2.984,336 6.095,337 3.689,338 2.753,339 3.65,341 8.884,342 2.58,343 4.029,344 2.886,345 5.5,346 3.619,347 2.641,348 3.275,350 7.429,351 2.577,352 3.459,353 2.761,354 5.309,355 3.327,356 2.407,357 2.812,359 6.87,360 2.213,361 3.381,362 2.459,363 5.126,364 3.01,365 2.031,366 2.593,368 6,369 1.981,370 3.288,371 2.184,372 4.748,373 2.922,374 1.972,375 2.546,377 5.304,378 1.853,379 3.246,380 1.795,381 4.514,382 2.73,383 1.776,384 2.394,386 4.655,387 1.69,388 2.743,389 1.378,390 4.134,391 2.323,392 1.337,393 1.849,395 3.484,396 1.317,397 2.673,398 1.315,399 3.802,400 2.202,401 1.214,402 1.752,404 2.651,405 1.194,406 2.431,407 1.179,408 3.691,409 2.105,410 1.138,411 1.407,413 2.567,414 1.097,415 2.27,416 1.077,417 3.481,418 1.984,419 1,420 1.214,422 2.372,423 0.983,424 2.118,425 0.945,426 3.437,427 1.868,428 0.903,429 1,431 2.112,432 0.869,433 2.007,434 0.762,435 3.312,436 1.697,437 0.709,438 0.927,440 1.729,441 0.699,442 2,443 0.696,444 3.171,445 1.551,446 0.618,447 0.858,449 1.431,450 0.565,451 15.571,452 0.472,453 0.766,454 0.023,455 39.5,456 1.197,457 18,458 0.545,459 21.5,460 0.652,461 31.686,462 0.96,463 36.029,464 0.581,465 27.937,466 0.847,467 7.496,468 0.227,469 8.582,470 0.26,471 0.037,472 0.032,473 0.244,474 1,477 1,479 0.587,480 1.13,481 0.768,482 1.102,483 0.501,484 0.998,485 0.79,486 1.048,487 0.903,488 1.043,489 0.632,490 1,491 1.203,492 1.095,493 1.135,494 1.09,495 1.229,496 1.101,497 0.903,498 0.988,499 1.066,500 1.111,501 0.958,502 1.126,503 0.661,504 0.836,505 0.818,506 0.911,507 0.633,508 0.901,509 1.059,510 0.964,511 0.976,512 0.926,513 1.049,514 0.933,515 0.793,516 1.045,517 0.978,518 1.126,519 0.79,520 1.1,521 1.182,522 0.93,523 1.14,524 0.952,525 1.166,526 1.016,527 7,528 0.148,529 3.778,530 1.444,531 1.539,532 0.931,533 0.589,534 0.364,535 0.245,536 0.244,537 19409,538 50239,539 2.161,540 46.8,541 4,542 13,543 1,544 2,545 1,547 4,548 4,550 1.745,551 2.073,552 3.85,553 -0.382,559 92.458,560 1.491,561 3.556,562 4.633,563 5.22,564 5.374,565 5.374,566 3.279,567 4.681,568 5.017,569 4.071,570 2149.69,571 8.743,572 34734.4,574 1,577 369.16,578 1.284,579 4.993,580 0.189,581 0.005,582 0.073,583 0.03,584 0.038,585 0.024,586 0.015,587 0.009,588 0.008,589 0.009,590 0.4,591 0.33,592 0.75,593 0.398,594 180.346,595 0.023,596 -0.087,597 0.063,598 -0.032,599 0.004,600 0.009,601 -0.017,602 -0.033,603 -0.006,604 -0.025,605 0.033,606 -0.015,607 -0.138,608 -0.022,609 -0.161,610 -0.064,611 -0.098,612 -0.104,613 -0.022,614 -0.051,615 -0.096,616 -0.103,617 -0.04,618 -0.114,619 0.045,620 -0.041,621 0.156,622 0.063,623 0.043,624 0.116,625 -0.066,626 0.001,627 0.02,628 0.052,629 -0.059,630 0.054,631 0.15,632 -0.076,633 -0.002,634 -0.134,635 0.156,636 -0.108,637 -0.129,638 0.029,639 -0.124,640 -0.002,641 -0.127,642 -0.047,643 2.391,644 7.271,645 0.788,646 40.665,647 1,648 1.138,649 5.356,650 28.692,651 0.658,652 3.638,653 3.97,654 4.22,655 4.454,656 4.644,657 4.71,658 4.812,659 4.927,660 5.017,661 5.063,662 8.916,663 0.625,664 449.6,665 3.638,666 5.187,667 6.033,668 6.909,669 7.769,670 8.646,671 9.513,672 10.392,673 11.262,674 12.143,675 8.1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 62,716 21,717 2,718 37,720 66,721 26,722 16,723 5,724 7,730 5,731 6,740 2,741 1,743 6,745 16,746 10,747 1,748 1,762 2,764 29,765 5,766 1,767 7,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 2,827 33,833 9,838 1,839 1,844 1,846 2,854 15.917,855 10.919,856 7.125,857 3.957,858 3.574,859 1.433,860 1.016,861 6.459,862 11.827,863 3.882,864 4.477,865 5.045,866 5.618,867 6.053,868 6.382,869 6.796,870 7.213,871 7.419,872 7.626,873 0.9,874 48,875 12.32,877 5.382,878 7.72,879 23.87,881 20.375,883 2.22,884 73.25,887 1,888 329.591,889 137.109,890 55.135,893 29.92,895 137.109,896 329.591,897 85.055,899 21.524,900 75.381,901 74.105,902 42.631,903 43.835,904 294.278,906 329.591,907 192.244,908 29.92,911 265.342,912 94.169,915 60.57,916 98.347,917 33.326,919 359.511,920 55.135,921 137.109,924 329.591,925 44.49,926 97.642,927 16.786,928 63.246,929 329.591,930 85.055,931 137.109,933 0.585,934 0.334,935 0.174,936 0.091,937 26,938 10,939 0.121,940 8,941 1,942 1.077,943 4.667,944 296.688,945 0.077,946 26,947 158.465,951 22.096,952 9.646,953 5.276,954 2.347,955 66.371,956 18.318,957 7.777,958 3.364,961 2.967,962 1.904,963 16.786,964 551.755,965 47.5,975 62.021,976 70.569,977 0.25,978 0.597,979 0.778,980 0.877,981 0.902,982 0.902,983 5.125,984 1.776,985 6.028,986 5.304,987 4.654,988 5.165,989 0.673,990 6.841,991 4.57,992 6.326,993 1.337,994 7.589,995 4.655,996 4.29,997 4.934,998 0.325,999 7.949,1000 4.117,1001 7.635,1002 1.214,1003 9.258,1004 3.484,1005 6.293,1006 7.356,1007 0.379,1008 10.936,1009 6.125,1010 8.981,1011 1.138,1012 10.993,1013 2.651,1014 6.781,1015 8.001,1016 0.268,1017 12.895,1018 6.525,1019 10.36,1020 1,1021 12.774,1022 2.567,1023 8.241,1024 9.868,1025 0.239,1026 15.457,1027 7.982,1028 11.762,1029 0.903,1030 14.587,1031 2.372,1032 9.099,1033 10.933,1034 0.188,1035 17.72,1036 8.764,1037 13.181,1038 0.709,1039 16.423,1040 2.112,1041 10.361,1042 12.575,1043 0.156,1044 20.178,1045 10.008,1046 3.282,1047 0.618,1048 18.276,1049 1.729,1050 11.385,1051 13.853,1052 0.125,1053 22.551,1054 10.967,1055 3.118,1056 11.782,1057 20.143,1058 1.431,1059 12.575,1060 15.402,1061 0.102,1062 24.988,1063 12.126,1064 2.753,1065 10.431,1066 22.02,1067 4.518,1068 13.673,1069 16.79,1070 0.082,1071 27.403,1072 13.168,1073 2.641,1074 8.884,1075 23.906,1076 3.731,1077 14.84,1078 18.302,1079 0.066,1080 29.841,1081 14.296,1082 2.407,1083 7.429,1084 25.798,1085 3.65,1086 15.974,1087 19.745,1088 0.054,1089 32.275,1090 15.376,1091 2.031,1092 6.87,1093 27.696,1094 3.275,1095 17.136,1096 21.245,1097 0.043,1098 34.718,1099 16.493,1100 1.972,1101 6,1102 29.599,1103 2.812,1104 18.286,1105 22.717,1106 0.035,1107 37.161,1108 17.592,1109 17782,1110 28761,1111 25.424,1112 40.802,1113 55.781,1114 55.314,1115 55.771,1116 55.409,1117 55.261,1118 70.818,1119 1.6,1120 158.827,1121 52.901,1122 5.568,1123 5.694,1124 6.569,1125 5.286,1126 5.282,1127 7.518,1128 1.2,1129 18.446,1130 5.079,1131 11.213,1132 1.508,1133 1.495,1134 1.507,1135 1.498,1136 1.494,1137 1.914,1138 0.043,1139 4.293,1140 1.43,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 8.202,1146 4.07,1147 3.967,1148 4.009,1149 3.893,1150 3.881,1151 8.188,1152 3.878,1153 3.856,1154 3.913,1155 3.791,1156 3.72,1157 5.135,1158 3.722,1159 3.823,1160 3.889,1161 3.76,1162 3.588,1163 4.927,1164 3.625,1165 3.565,1166 3.631,1167 3.43,1168 3.41,1169 4.64,1170 3.409,1171 3.36,1172 3.427,1173 3.242,1174 3.209,1175 4.305,1176 3.206,1177 3.245,1178 3.319,1179 3.102,1180 3.082,1181 4.246,1182 3.077,1183 3.111,1184 3.206,1185 2.899,1186 2.941,1187 3.942,1188 2.91,1189 0.123,1190 0.1,1191 0.188,1192 0.114,1193 0.089,1194 4.568,1195 0.122,1196 3.694,1197 0.022,1198 6.973,1199 0.318,1200 4.226,1201 0.083,1202 3.282,1203 4.518,1204 0.8,1205 11.782,1206 3.079,1207 1.962,1208 1.937,1209 2.091,1210 2.072,1211 1.45,1212 2.081,1213 1.935,1214 1.903,1215 2.042,1216 2.048,1217 1.292,1218 2.046,1219 1.832,1220 1.782,1221 1.99,1222 1.975,1223 1.179,1224 1.983,1225 1.669,1226 1.615,1227 1.872,1228 1.832,1229 1.104,1230 1.848,1231 1.431,1232 1.362,1233 1.651,1234 1.675,1235 0.868,1236 1.66,1237 1.381,1238 1.315,1239 1.561,1240 1.592,1241 0.825,1242 1.594,1243 1.258,1244 1.188,1245 1.513,1246 1.456,1247 0.713,1248 1.48,1249 1.153,1250 1.064,1251 1.474,1252 1.442,1253 0.58,1254 1.429,1255 4.317,1257 5.645,1258 3.045,1259 7.155,1260 5.283,1261 8.747,1262 7.286,1263 10.382,1267 28.633,1271 6.707,1276 2.372,1277 -1.141,1280 38.722,1281 92.458,1282 220.476,1283 287.244,1284 323.65,1285 333.16,1286 333.16,1287 63.113,1288 8.252,1289 49.74,1290 49.74,1291 28,1292 12.68,1293 4.459,1294 3.524,1295 48.302,1296 181,1297 154,1298 0.128,1299 233.226,1300 396.34,1301 560.831,1302 55305,1303 3.2,1304 22.675,1305 0.687,1306 0.566,1307 20.882,1308 18.682,1309 16.078,1310 0.435,1311 0.316,1312 11.532,1313 15.444,1314 11.334,1315 9.293,1316 15.348,1317 11.688,1318 14.74,1319 0.283,1320 0.176,1321 13.278,1322 9.139,1323 12.37,1324 0.185,1325 0.103,1326 11.53,1327 6.891,1328 10.052,1329 0.118,1330 0.057,1331 9.52,1332 4.849,1333 7.856,1334 0.076,1335 0.034,1336 7.34,1337 3.491,1338 0.21,1339 100.727,1340 0.198,1341 31.632,1342 0.325,1343 178,1344 545.136,1345 195.929,1346 482.596,1347 651.98,1348 452,1349 208,1350 478.03,1351 225.448,1352 473.349,1353 686.55,1354 446,1355 9.14} {0 CHEMBL64003,1 1.508,2 13.938,3 4.555,4 20.747,5 124.452,6 7.383,7 0.583,8 4.181,9 4.312,10 3.749,11 3.724,12 5.228,13 3.701,14 4.761,15 4.944,16 4.144,17 4.156,18 5.918,19 4.111,20 5.057,21 5.287,22 4.086,23 4.305,24 6.036,25 4.199,26 5.133,27 5.397,28 4.088,29 4.296,30 6.032,31 4.174,32 5.139,33 5.408,34 4.123,35 4.204,36 6.227,37 4.117,38 5.021,39 5.277,40 3.992,41 4.122,42 6.085,43 4.037,44 4.945,45 5.212,46 3.927,47 4.043,48 5.94,49 3.939,50 4.861,51 5.132,52 3.766,53 3.925,54 5.896,55 3.828,56 0.044,57 1.046,58 12.199,59 5.472,60 14.473,61 7.215,62 0.399,63 1.872,64 24.396,65 9.45,66 61.742,67 12.599,68 0.536,69 2.167,70 35.717,71 13.435,72 63.203,73 17.877,74 0.264,75 2.19,76 39.256,77 14.814,78 47.344,79 20.681,80 0.684,81 2.419,82 42.072,83 14.206,84 98.615,85 18.495,86 0.564,87 2.137,88 36.757,89 12.313,90 87.814,91 15.707,92 0.504,93 1.865,94 33.495,95 11.32,96 59.511,97 15.789,98 0.469,99 1.74,100 31.424,101 9.981,102 66.236,103 13.366,104 5,105 51,106 0.243,107 0.573,108 0.746,109 0.827,110 0.834,111 0.834,112 3.502,113 0.929,114 -6.12,115 -5.96,116 -5.54,119 42.4,121 4,122 1,125 3,130 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 14,171 2,172 4,176 3,178 16,182 4,186 3,189 13,193 7,199 9,203 7,206 1,211 8,215 5,218 1,222 5,226 5,229 2,233 4,236 1,237 2,242 2,244 5,254 1,256 7,259 1882,260 21.825,261 21.825,262 21.825,263 21.825,264 21.825,265 19.386,266 21.593,267 12.946,268 22.303,269 17.851,270 17.851,271 17.851,272 17.851,273 17.851,274 14.295,275 18.501,276 6.244,277 18.69,278 4.374,279 2.329,280 1.259,281 0.759,282 0.712,283 0.712,284 4.211,288 1,289 1,290 998,291 3.606,294 168.733,295 324.909,298 143.308,302 2.258,303 33.579,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 69.5,315 446,316 4.586,317 4.023,318 6.815,319 4.203,320 3.282,321 4.521,322 1.51,323 11.338,324 3.096,325 4.226,326 3.17,327 6.511,328 3.992,329 3.052,330 3.734,331 0.8,332 10.251,333 2.789,334 4.1,335 2.896,336 6.091,337 3.698,338 2.74,339 3.457,341 8.867,342 2.672,343 3.938,344 2.861,345 5.609,346 3.661,347 2.696,348 3.239,350 7.767,351 2.545,352 3.546,353 2.692,354 5.301,355 3.368,356 2.406,357 2.757,359 6.816,360 2.319,361 3.37,362 2.129,363 5.083,364 2.99,365 2.025,366 2.597,368 5.928,369 1.948,370 3.234,371 2.088,372 4.925,373 2.876,374 1.916,375 2.535,377 5.682,378 1.82,379 3.085,380 1.789,381 4.513,382 2.716,383 1.76,384 2.166,386 4.654,387 1.678,388 2.807,389 1.499,390 4.121,391 2.414,392 1.416,393 1.891,395 3.369,396 1.412,397 2.715,398 1.289,399 3.597,400 2.217,401 1.246,402 1.811,404 3.039,405 1.208,406 2.5,407 1.077,408 3.464,409 2,410 1,411 1.5,413 2.275,414 1,415 2.39,416 1,417 3.414,418 1.984,419 1,420 1.34,422 2.155,423 0.983,424 2.118,425 0.978,426 3.315,427 1.888,428 0.927,429 1,431 2.136,432 0.888,433 2.089,434 0.705,435 3.247,436 1.591,437 0.637,438 0.927,440 1.575,441 0.606,442 2,443 0.618,444 3.172,445 1.518,446 0.618,447 0.91,449 1.372,450 0.556,451 15.071,452 0.471,453 0.788,454 0.025,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 29.849,462 0.933,463 34.729,464 0.589,465 28.716,466 0.897,467 7.526,468 0.235,469 8.029,470 0.251,471 0.038,472 0.033,473 0.252,475 2,479 0.586,480 1.118,481 0.749,482 1.087,483 0.528,484 0.98,485 0.712,486 0.974,487 0.897,488 1.019,489 0.564,490 0.995,491 1.063,492 0.986,493 1.147,494 1.092,495 1.149,496 1.134,497 0.677,498 1.033,499 0.853,500 1.094,501 0.661,502 1.033,503 1.429,504 1.181,505 0.992,506 0.965,507 1.648,508 0.916,509 1.653,510 1.236,511 1.175,512 1.009,513 1.785,514 1.003,515 0.928,516 1.029,517 0.934,518 1.029,519 1.024,520 0.999,521 1.43,522 1.089,523 1.134,524 0.947,525 1.408,526 0.968,527 7,528 0.136,529 3.111,530 1.944,531 1.627,532 0.979,533 0.769,534 0.454,535 0.323,536 0.253,537 16740,538 41280,539 2.166,540 45.8,541 3,542 14,543 1,544 2,545 1,547 4,548 2,550 1.74,551 2.076,552 3.737,553 -0.372,559 88.988,560 1.508,561 3.554,562 4.624,563 5.124,564 5.171,565 5.171,566 3.23,567 4.438,568 4.969,569 3.937,570 1952.83,571 8.669,572 29517.2,574 1,577 347.076,578 1.305,579 4.947,580 0.194,581 0.005,582 0.061,583 0.042,584 0.036,585 0.022,586 0.019,587 0.012,588 0.01,589 0.008,590 0.411,591 0.33,592 0.75,593 0.406,594 170.853,595 0.02,596 -0.089,597 0.063,598 -0.033,599 -0.025,600 0.009,601 0.143,602 0.076,603 -0.001,604 -0.009,605 0.206,606 -0.027,607 -0.051,608 0.065,609 -0.186,610 -0.069,611 -0.089,612 -0.138,613 0.047,614 -0.18,615 0.101,616 -0.089,617 0.06,618 -0.007,619 -0.001,620 -0.026,621 0.081,622 0.034,623 -0.057,624 0.063,625 -0.181,626 -0.037,627 -0.113,628 -0.015,629 -0.175,630 -0.042,631 0.103,632 -0.058,633 0.074,634 -0.058,635 0.006,636 -0.017,637 -0.149,638 -0.016,639 -0.085,640 0.006,641 -0.089,642 -0.015,643 4.034,644 7.037,645 0.813,646 38.402,647 1.002,648 1.138,649 4.887,650 23.885,651 0.662,652 3.611,653 3.951,654 4.19,655 4.477,656 4.654,657 4.727,658 4.92,659 5.03,660 5.075,661 5.136,662 8.082,663 0.63,664 435.57,665 3.611,666 5.165,667 6.009,668 6.895,669 7.753,670 8.642,671 9.509,672 10.4,673 11.272,674 12.164,675 8.5,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 59,716 21,717 2,718 36,720 63,721 25,722 16,723 4,724 8,730 5,731 6,738 1,740 2,741 1,743 5,745 16,746 9,747 1,761 1,762 2,764 27,765 5,766 1,767 7,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 2,827 32,833 7,837 1,838 1,839 1,844 1,846 2,854 15.417,855 10.336,856 6.833,857 3.638,858 3.546,859 1.436,860 1.023,861 5.969,862 11.681,863 3.861,864 4.454,865 5.016,866 5.614,867 6.055,868 6.39,869 6.858,870 7.275,871 7.485,872 7.734,873 1,874 46,875 12.054,877 5.4,878 7.747,879 23.036,881 19.713,883 2.247,884 71.917,887 1,888 306.049,889 134.219,890 55.135,893 29.92,895 134.219,896 306.049,897 85.055,899 16.455,900 84.857,901 74.105,902 65.254,903 13.915,904 270.735,906 306.049,907 189.354,908 29.92,911 235.422,912 100.547,914 1.824,915 55.501,916 98.702,917 33.326,919 335.969,920 55.135,921 134.219,924 307.873,925 30.3,926 107.118,927 16.786,928 63.246,929 306.049,930 85.055,931 134.219,933 0.585,934 0.327,935 0.181,936 0.094,937 26,938 10,939 0.111,940 7,941 1,942 1.077,943 4.502,944 292.479,945 0.077,946 26,947 146,951 21.148,952 9.032,953 5.044,954 1.673,955 66.371,956 21.095,957 7.643,958 3.128,961 2.826,962 1.772,963 16.786,964 525.323,965 46.5,975 59.138,976 67.153,977 0.256,978 0.604,979 0.786,980 0.871,981 0.879,982 0.879,983 5.107,984 1.76,985 6.009,986 5.682,987 4.635,988 5.142,989 1.875,990 6.825,991 4.545,992 6.308,993 1.416,994 7.567,995 4.654,996 4.29,997 4.879,998 0.325,999 7.881,1000 4.075,1001 7.613,1002 1.246,1003 9.23,1004 3.369,1005 6.275,1006 7.319,1007 2.473,1008 10.891,1009 6.079,1010 8.953,1011 1,1012 10.958,1013 3.039,1014 6.758,1015 7.935,1016 0.268,1017 12.765,1018 6.428,1019 10.326,1020 1,1021 12.728,1022 2.275,1023 8.215,1024 9.823,1025 3.218,1026 15.336,1027 7.891,1028 11.722,1029 0.927,1030 14.526,1031 2.155,1032 9.062,1033 10.875,1034 0.188,1035 17.523,1036 8.618,1037 13.137,1038 0.637,1039 16.345,1040 2.136,1041 10.322,1042 12.53,1043 4.011,1044 19.967,1045 9.859,1046 3.282,1047 0.618,1048 18.179,1049 1.575,1050 11.336,1051 13.807,1052 0.125,1053 22.279,1054 10.772,1055 3.052,1056 11.338,1057 20.026,1058 1.372,1059 12.522,1060 15.365,1061 4.823,1062 24.687,1063 11.921,1064 2.74,1065 10.251,1066 21.881,1067 4.521,1068 13.613,1069 16.755,1070 0.082,1071 27.052,1072 12.926,1073 2.696,1074 8.867,1075 23.745,1076 3.734,1077 14.775,1078 18.274,1079 5.642,1080 29.453,1081 14.039,1082 2.406,1083 7.767,1084 25.614,1085 3.457,1086 15.902,1087 19.722,1088 0.054,1089 31.841,1090 15.092,1091 2.025,1092 6.816,1093 27.489,1094 3.239,1095 17.06,1096 21.227,1097 6.464,1098 34.245,1099 16.194,1100 1.916,1101 5.928,1102 29.369,1103 2.757,1104 18.206,1105 22.703,1106 0.035,1107 36.645,1108 17.272,1109 15310,1110 24277,1111 24.731,1112 39.04,1113 54.807,1114 53.937,1115 53.786,1116 54.165,1117 54.001,1118 69.362,1119 4.62,1120 155.885,1121 51.578,1122 5.586,1123 6.023,1124 6.617,1125 5.263,1126 5.282,1127 7.521,1128 3.02,1129 18.375,1130 5.096,1131 10.111,1132 1.522,1133 1.498,1134 1.494,1135 1.505,1136 1.5,1137 1.927,1138 0.128,1139 4.33,1140 1.433,1141 4.156,1142 4.194,1143 4.117,1144 4.062,1145 8.358,1146 4.071,1147 3.964,1148 4.008,1149 3.874,1150 3.889,1151 7.999,1152 3.88,1153 3.84,1154 3.909,1155 3.796,1156 3.684,1157 5.135,1158 3.684,1159 3.802,1160 3.859,1161 3.712,1162 3.584,1163 4.924,1164 3.622,1165 3.579,1166 3.633,1167 3.501,1168 3.392,1169 4.752,1170 3.41,1171 3.304,1172 3.368,1173 3.208,1174 3.148,1175 4.31,1176 3.154,1177 3.178,1178 3.255,1179 3.044,1180 2.991,1181 4.25,1182 2.992,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.848,1188 2.91,1189 0.127,1190 0.112,1191 0.189,1192 0.117,1193 0.091,1194 4.586,1195 0.126,1196 4.023,1197 0.042,1198 6.815,1199 0.315,1200 4.203,1201 0.086,1202 3.282,1203 4.521,1204 1.51,1205 11.338,1206 3.096,1207 1.962,1208 1.936,1209 2.113,1210 2.075,1211 1.477,1212 2.089,1213 1.95,1214 1.916,1215 2.035,1216 2.048,1217 1.238,1218 2.046,1219 1.804,1220 1.751,1221 1.977,1222 1.951,1223 1.128,1224 1.961,1225 1.644,1226 1.597,1227 1.806,1228 1.823,1229 1.032,1230 1.821,1231 1.407,1232 1.337,1233 1.584,1234 1.668,1235 0.825,1236 1.641,1237 1.338,1238 1.277,1239 1.513,1240 1.542,1241 0.799,1242 1.543,1243 1.153,1244 1.068,1245 1.506,1246 1.442,1247 0.612,1248 1.429,1249 1.137,1250 1.064,1251 1.398,1252 1.376,1253 0.576,1254 1.379,1255 4.29,1257 5.624,1258 3.045,1259 7.135,1260 5.283,1261 8.724,1262 7.286,1263 10.356,1267 30.073,1271 3.985,1275 0.576,1276 1.929,1277 -2.784,1280 37.195,1281 88.988,1282 209.664,1283 272.811,1284 302.321,1285 305.076,1286 305.076,1287 59.476,1288 8.135,1289 49.74,1290 49.74,1291 28,1292 12.696,1293 4.459,1294 3.524,1295 45.992,1296 154,1297 162,1298 0.141,1299 223.633,1300 379.04,1301 537.425,1302 45576,1303 3.4,1304 21.968,1305 0.687,1306 0.56,1307 20.175,1308 17.923,1309 15.556,1310 0.432,1311 0.31,1312 10.992,1313 14.945,1314 10.798,1315 8.873,1316 14.848,1317 11.148,1318 14.578,1319 0.286,1320 0.174,1321 12.936,1322 8.855,1323 11.683,1324 0.18,1325 0.099,1326 11.214,1327 6.446,1328 10.131,1329 0.116,1330 0.055,1331 9.414,1332 4.765,1333 7.827,1334 0.075,1335 0.033,1336 7.272,1337 3.405,1338 0.228,1339 97.475,1340 0.201,1341 30.491,1342 0.37,1343 174,1344 539.136,1345 193.77,1346 476.643,1347 643.07,1348 446,1349 203,1350 470.03,1351 220.974,1352 465.898,1353 681.64,1354 438,1355 7.108} {0 CHEMBL64004,1 1.517,2 15.529,3 4.481,4 20.078,5 132.663,6 7.26,7 0.553,8 4.259,9 4.396,10 3.812,11 3.771,12 5.309,13 3.751,14 4.836,15 5.035,16 4.167,17 4.196,18 5.837,19 4.153,20 5.112,21 5.344,22 4.16,23 4.364,24 6.071,25 4.263,26 5.221,27 5.483,28 4.11,29 4.391,30 6.072,31 4.253,32 5.258,33 5.547,34 4.089,35 4.323,36 6.137,37 4.187,38 5.152,39 5.432,40 4.035,41 4.23,42 6.081,43 4.113,44 5.062,45 5.336,46 3.969,47 4.16,48 5.999,49 4.04,50 4.986,51 5.264,52 3.828,53 4.063,54 5.879,55 3.937,56 0.044,57 1.134,58 13.682,59 5.754,60 11.772,61 7.853,62 0.287,63 1.851,64 27.014,65 9.522,66 29.047,67 13.313,68 0.492,69 2.24,70 37.668,71 13.693,72 56.058,73 18.832,74 0.323,75 2.275,76 42.696,77 15.751,78 52.145,79 22.544,80 0.571,81 2.32,82 46.681,83 15.596,84 76.509,85 22.48,86 0.595,87 2.156,88 41.956,89 13.552,90 70.742,91 19.29,92 0.605,93 1.972,94 37.961,95 12.371,96 67.182,97 17.774,98 0.409,99 1.802,100 34.979,101 11.32,102 56.043,103 16.317,104 10,105 53,106 0.241,107 0.563,108 0.731,109 0.812,110 0.822,111 0.842,112 3.56,113 0.935,114 -5.81,115 -5.68,116 -5.29,119 40.6,120 1,121 1,122 1,125 6,127 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 3,176 3,178 11,181 1,182 5,186 3,189 10,193 8,199 4,203 9,206 1,211 1,215 6,218 1,226 6,229 2,236 1,237 4,244 1,249 1,252 1,256 3,259 2170,260 23.187,261 23.187,262 23.187,263 23.187,264 23.187,265 20.748,266 25.321,267 13.661,268 23.756,269 18.78,270 18.78,271 18.78,272 18.78,273 18.78,274 15.169,275 24.644,276 6.545,277 19.748,278 4.483,279 2.455,280 1.397,281 0.887,282 0.824,283 0.699,284 4.267,289 1,290 1172,291 3.674,294 186.489,295 356.379,298 159.483,302 2.467,303 31.264,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 74,315 528,316 4.571,317 3.243,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.131,326 3.135,327 6.098,328 3.84,329 2.859,330 3.732,331 0.8,332 8.897,333 2.813,334 4.116,335 3.029,336 6.058,337 3.703,338 2.766,339 3.669,341 8.721,342 2.589,343 3.719,344 2.9,345 5.56,346 3.583,347 2.652,348 2.879,350 7.58,351 2.458,352 3.588,353 2.819,354 5.305,355 3.327,356 2.394,357 2.845,359 6.805,360 2.224,361 3.462,362 2.689,363 5.133,364 3.172,365 2.229,366 2.665,368 6.201,369 2.09,370 3.288,371 2.401,372 4.995,373 2.972,374 2.03,375 2.59,377 5.91,378 1.906,379 3.214,380 2.038,381 4.654,382 2.753,383 1.809,384 2.311,386 4.869,387 1.703,388 2.901,389 1.787,390 4.507,391 2.651,392 1.704,393 1.951,395 4.647,396 1.597,397 2.69,398 1.407,399 4.076,400 2.239,401 1.264,402 1.761,404 3.349,405 1.226,406 2.5,407 1.286,408 4.016,409 2.196,410 1.231,411 1.5,413 3.267,414 1.183,415 2.44,416 1.146,417 3.414,418 2,419 1,420 1.433,422 2.275,423 1,424 2.381,425 1,426 3.414,427 1.967,428 1,429 1.329,431 2.275,432 0.965,433 2.118,434 0.975,435 3.34,436 1.882,437 0.921,438 1,440 2.144,441 0.883,442 2.075,443 0.703,444 3.208,445 1.582,446 0.628,447 0.927,449 1.542,450 0.597,451 15.971,452 0.47,453 0.797,454 0.023,455 40.75,456 1.199,457 18,458 0.529,459 22.75,460 0.669,461 32.345,462 0.951,463 37.429,464 0.585,465 30.535,466 0.898,467 8.058,468 0.237,469 8.489,470 0.25,471 0.067,473 0.326,474 1,477 1,479 0.618,480 1.228,481 0.768,482 1.156,483 0.51,484 1.024,485 0.916,486 0.995,487 0.94,488 0.945,489 0.668,490 0.934,491 1.006,492 0.984,493 1.115,494 1.081,495 0.974,496 1.114,497 0.668,498 0.999,499 0.956,500 1.144,501 0.626,502 1.119,503 0.861,504 0.948,505 0.897,506 0.968,507 0.905,508 0.95,509 1.074,510 0.982,511 0.981,512 0.943,513 1.101,514 0.945,515 0.949,516 0.94,517 0.996,518 0.991,519 1.029,520 1.005,521 0.987,522 1.011,523 1.042,524 1.038,525 0.946,526 1.045,527 7,528 0.157,529 3.778,530 1.757,531 1.663,532 1.129,533 0.587,534 0.426,535 0.318,536 0.223,537 20554,538 53572,539 2.145,540 46.9,541 3,542 20,543 1,544 2,545 1,547 3,550 1.753,551 2.04,552 3.893,553 -0.363,559 97.072,560 1.517,561 3.545,562 4.603,563 5.113,564 5.176,565 5.301,566 3.377,567 4.595,568 5.059,569 4.09,570 2294.47,571 8.833,572 37511.9,577 384,578 1.286,579 5.033,580 0.184,581 0.006,582 0.071,583 0.035,584 0.036,585 0.026,586 0.014,587 0.011,588 0.01,589 0.007,590 0.4,591 0.33,592 0.63,593 0.459,594 187.039,595 0.019,596 -0.158,597 0.068,598 -0.075,599 -0.001,600 -0.013,601 -0.083,602 0.036,603 -0.027,604 0.055,605 0.003,606 0.035,607 -0.076,608 0.045,609 -0.167,610 -0.057,611 -0.048,612 -0.115,613 0.004,614 -0.145,615 -0.021,616 -0.129,617 0.021,618 -0.091,619 0.036,620 -0.055,621 0.097,622 0.011,623 0.006,624 0.054,625 -0.027,626 -0.01,627 0.03,628 0.031,629 -0.033,630 0.039,631 0.047,632 0.021,633 0.002,634 -0.017,635 -0.034,636 -0.021,637 -0.06,638 -0.093,639 -0.052,640 -0.077,641 -0.048,642 -0.064,643 2.262,644 7.089,645 0.765,646 43.038,647 1.002,648 1.142,649 4.585,650 21.018,651 0.653,652 3.664,653 3.989,654 4.248,655 4.5,656 4.682,657 4.762,658 4.89,659 5.004,660 5.056,661 5.106,662 8.964,663 0.621,664 464.62,665 3.664,666 5.209,667 6.057,668 6.929,669 7.789,670 8.664,671 9.531,672 10.407,673 11.278,674 12.156,675 9.4,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 64,716 21,717 2,718 38,720 68,721 26,722 16,723 5,724 7,728 1,730 5,731 6,736 1,743 2,745 16,746 10,747 1,762 2,764 30,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 2,827 34,833 7,837 2,838 2,844 1,846 2,854 16.667,855 11.536,856 7.361,857 3.936,858 3.545,859 1.428,860 1.011,861 6.935,862 11.827,863 3.902,864 4.489,865 5.064,866 5.641,867 6.088,868 6.424,869 6.837,870 7.242,871 7.447,872 7.677,873 1,874 50,875 12.66,877 5.466,878 7.725,879 24.489,881 20.679,883 2.225,884 75.667,888 341.362,889 141.758,890 58.259,893 29.92,895 141.758,896 341.362,897 88.179,898 8.825,899 17.348,900 75.381,901 74.105,902 45.755,903 43.835,904 306.049,906 341.362,907 200.017,908 29.92,911 335.969,912 35.313,915 68.344,916 98.347,917 33.326,919 371.282,920 58.259,921 141.758,924 343.541,925 38.135,926 109.591,927 16.786,928 63.246,929 341.362,930 88.179,931 141.758,933 0.584,934 0.336,935 0.179,936 0.094,937 26,938 11,939 0.118,940 8,941 1,942 1.077,943 4.704,944 310.601,945 0.077,946 26,947 160.974,951 23.01,952 10.248,953 5.505,954 2.038,955 69.495,956 18.067,957 7.728,958 3.262,961 2.9,962 1.847,963 16.786,964 571.299,965 48.5,975 64.123,976 73.067,977 0.253,978 0.591,979 0.767,980 0.852,981 0.863,982 0.883,983 5.143,984 1.809,985 6.033,986 5.91,987 4.673,988 5.176,989 1.072,990 6.815,991 4.579,992 6.328,993 1.704,994 7.572,995 4.869,996 4.205,997 4.89,998 0.57,999 7.627,1000 4.049,1001 7.617,1002 1.264,1003 9.205,1004 4.647,1005 6.244,1006 7.342,1007 0.653,1008 10.702,1009 6.072,1010 8.94,1011 1.231,1012 10.894,1013 3.349,1014 6.594,1015 7.957,1016 0.479,1017 12.35,1018 6.377,1019 10.298,1020 1,1021 12.62,1022 3.267,1023 8.077,1024 9.845,1025 0.432,1026 14.923,1027 7.845,1028 11.68,1029 1,1030 14.371,1031 2.275,1032 8.807,1033 10.901,1034 0.346,1035 16.934,1036 8.546,1037 13.082,1038 0.921,1039 16.141,1040 2.275,1041 10.062,1042 12.554,1043 0.291,1044 19.334,1045 9.785,1046 3.126,1047 0.628,1048 17.926,1049 2.144,1050 10.978,1051 13.834,1052 0.237,1053 21.511,1054 10.683,1055 2.859,1056 10.462,1057 19.722,1058 1.542,1059 12.137,1060 15.389,1061 0.195,1062 23.852,1063 11.827,1064 2.766,1065 8.897,1066 21.529,1067 4.519,1068 13.147,1069 16.779,1070 0.158,1071 26.108,1072 12.823,1073 2.652,1074 8.721,1075 23.344,1076 3.732,1077 14.268,1078 18.295,1079 0.129,1080 28.433,1081 13.931,1082 2.394,1083 7.58,1084 25.165,1085 3.669,1086 15.326,1087 19.74,1088 0.104,1089 30.727,1090 14.977,1091 2.229,1092 6.805,1093 26.993,1094 2.879,1095 16.435,1096 21.243,1097 0.084,1098 33.051,1099 16.074,1100 2.03,1101 6.201,1102 28.826,1103 2.845,1104 17.518,1105 22.716,1106 0.068,1107 35.365,1108 17.145,1109 18912,1110 30705,1111 25.948,1112 41.807,1113 57.543,1114 57.219,1115 57.759,1116 56.972,1117 56.844,1118 72.405,1119 3.2,1120 161.588,1121 54.08,1122 5.571,1123 5.243,1124 6.169,1125 5.174,1126 5.126,1127 7.519,1128 1.2,1129 17.208,1130 5.068,1131 13.911,1132 1.514,1133 1.506,1134 1.52,1135 1.499,1136 1.496,1137 1.905,1138 0.084,1139 4.252,1140 1.423,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.202,1146 4.07,1147 3.964,1148 4.008,1149 3.894,1150 3.883,1151 8.19,1152 3.88,1153 3.845,1154 3.913,1155 3.792,1156 3.652,1157 5.135,1158 3.665,1159 3.814,1160 3.883,1161 3.726,1162 3.579,1163 4.925,1164 3.616,1165 3.574,1166 3.639,1167 3.465,1168 3.4,1169 4.649,1170 3.406,1171 3.437,1172 3.504,1173 3.302,1174 3.29,1175 4.363,1176 3.283,1177 3.273,1178 3.342,1179 3.172,1180 3.098,1181 4.252,1182 3.105,1183 3.111,1184 3.206,1185 2.881,1186 2.941,1187 4.013,1188 2.91,1189 0.12,1190 0.085,1191 0.173,1192 0.108,1193 0.082,1194 4.571,1195 0.119,1196 3.243,1197 0.021,1198 6.572,1199 0.275,1200 4.106,1201 0.081,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.074,1210 2.069,1211 1.374,1212 2.072,1213 1.935,1214 1.905,1215 2.039,1216 2.048,1217 1.271,1218 2.046,1219 1.793,1220 1.727,1221 1.975,1222 1.979,1223 1.2,1224 1.983,1225 1.644,1226 1.59,1227 1.829,1228 1.829,1229 1.066,1230 1.832,1231 1.48,1232 1.416,1233 1.729,1234 1.686,1235 0.885,1236 1.694,1237 1.398,1238 1.328,1239 1.561,1240 1.639,1241 0.825,1242 1.628,1243 1.28,1244 1.213,1245 1.513,1246 1.5,1247 0.711,1248 1.504,1249 1.153,1250 1.064,1251 1.476,1252 1.442,1253 0.58,1254 1.429,1255 4.344,1257 5.666,1258 3.045,1259 7.166,1260 5.283,1261 8.745,1262 7.286,1263 10.367,1265 2.174,1267 28.263,1271 5.334,1275 -0.59,1276 4.644,1280 39.743,1281 97.072,1282 226.909,1283 294.574,1284 327.245,1285 331.245,1286 339.245,1287 61.597,1288 8.281,1289 52.98,1290 52.98,1291 28,1292 12.695,1293 4.459,1294 3.524,1295 50.444,1296 186,1297 186,1298 0.129,1299 240.02,1300 407.34,1301 577.409,1302 56617,1303 3.1,1304 23.493,1305 0.691,1306 0.57,1307 21.753,1308 19.37,1309 16.547,1310 0.435,1311 0.312,1312 11.651,1313 15.801,1314 11.412,1315 9.381,1316 15.759,1317 11.842,1318 15.075,1319 0.284,1320 0.175,1321 13.808,1322 9.268,1323 12.646,1324 0.183,1325 0.099,1326 11.982,1327 6.802,1328 10.488,1329 0.118,1330 0.055,1331 9.941,1332 4.852,1333 8.098,1334 0.076,1335 0.031,1336 7.584,1337 3.349,1338 0.212,1339 104.267,1340 0.196,1341 32.324,1342 0.331,1343 182,1344 568.781,1345 200.846,1346 502.432,1347 677.62,1348 472,1349 213,1350 489.809,1351 232.267,1352 487.243,1353 707.79,1354 458,1355 8.796} {0 CHEMBL6437,1 1.234,2 6.25,3 3.706,4 13.737,5 84.499,6 6.61,7 0.522,8 3.78,9 3.91,10 3.284,11 3.38,12 4.698,13 3.326,14 4.365,15 4.561,16 3.652,17 3.816,18 5.184,19 3.742,20 4.68,21 4.89,22 3.818,23 4.081,24 5.443,25 3.97,26 4.843,27 5.091,28 3.767,29 4.141,30 5.546,31 3.99,32 4.869,33 5.136,34 3.692,35 4.11,36 5.574,37 3.944,38 4.719,39 5.002,40 3.312,41 3.889,42 5.423,43 3.679,44 4.455,45 4.774,46 2.625,47 3.481,48 5.088,49 3.195,50 3.937,51 4.325,52 1.409,53 2.699,54 4.388,55 2.298,56 0.046,57 0.572,58 9.292,59 3.836,60 6.757,61 5.486,62 0.137,63 1.012,64 17.46,65 6.314,66 11.744,67 9.306,68 0.18,69 1.344,70 23.908,71 9.433,72 14.908,73 13.648,74 0.16,75 1.503,76 28.324,77 11.593,78 18.187,79 16.764,80 0.177,81 1.52,82 29.32,83 11.791,84 21.144,85 17.138,86 0.148,87 1.275,88 25.302,89 10.327,90 21.4,91 14.985,92 0.108,93 0.929,94 19.567,95 8.115,96 18.02,97 11.786,98 0.068,99 0.506,100 11.849,101 4.835,102 10.56,103 7.1,104 2,105 33,106 0.22,107 0.5,108 0.685,109 0.813,110 0.87,111 0.891,112 3.062,113 0.97,114 -4.61,115 -4.53,116 -4.26,119 45,121 1,124 1,125 3,127 1,140 8,141 3,142 1,169 12,172 3,178 14,181 1,182 6,189 12,193 5,199 9,203 6,211 9,215 3,222 7,226 1,233 3,259 354,260 13.93,261 13.93,262 13.93,263 13.93,264 13.93,265 12.477,266 19.398,267 8.243,268 14.136,269 11.397,270 11.397,271 11.397,272 11.397,273 11.397,274 9.268,275 31.036,276 3.935,277 11.736,278 4.087,279 2.513,280 1.475,281 0.757,282 0.438,283 0.319,284 3.767,287 1,288 1,289 1,290 280,291 1.871,295 83.512,296 28.129,300 144.178,302 0.8,303 6.345,304 1,305 1,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 41,315 125,316 4.482,317 3.57,318 6.889,319 4.229,320 3.263,321 4.015,322 0.916,323 11.566,324 3.16,325 4.09,326 2.889,327 6.252,328 3.701,329 2.712,330 3.698,331 0.8,332 9.277,333 2.681,334 3.674,335 2.852,336 5.763,337 3.497,338 2.536,339 2.792,340 0.68,341 7.86,342 2.43,343 3.153,344 2.482,345 4.979,346 3.011,347 2.086,348 2.206,349 0.172,350 5.835,351 1.926,352 2.971,353 1.756,354 4.574,355 2.566,356 1.582,357 2.164,359 4.324,360 1.554,361 2.933,362 1.625,363 4.191,364 2.532,365 1.534,366 2.095,368 3.557,369 1.531,370 2.754,371 1.379,372 3.754,373 2.308,374 1.309,375 1.862,377 2.972,378 1.307,379 2.476,380 1.207,381 3.606,382 2.091,383 1.114,384 1.468,386 2.755,387 1.086,388 2.167,389 1.068,390 3.573,391 1.983,392 1,393 1.138,395 2.531,396 0.982,397 1.401,398 0.39,399 2.902,400 1.143,401 0.153,402 0.183,404 0.387,405 0.151,406 1.17,407 0.229,408 2.809,409 0.973,415 0.708,416 -0.225,417 2.388,418 0.465,419 -0.503,420 -0.556,422 -1.24,423 -0.483,424 0.623,425 -0.505,426 2.146,427 0.213,428 -0.765,429 -0.906,431 -1.944,432 -0.74,433 0.529,434 -0.755,435 2,436 0.115,437 -0.87,438 -1.166,440 -2.113,441 -0.856,442 0.214,443 -0.826,444 2,445 -0.053,446 -1,447 -1.256,449 -2.855,450 -0.952,451 9.8,452 0.49,453 0.432,454 0.022,455 25.5,456 1.275,457 12.5,458 0.625,459 13,460 0.65,461 15.918,462 0.796,463 20.8,464 0.52,465 15.869,466 0.793,467 4.997,468 0.25,469 4.829,470 0.241,471 0.051,473 0.337,479 0.992,480 1.319,481 0.879,482 1.061,483 0.912,484 0.981,485 1.854,486 0.991,487 1.012,488 0.847,489 1.054,490 0.871,491 1.251,492 1.049,493 1.07,494 1.027,495 0.993,496 1.035,497 0.933,498 1.07,499 1.017,500 1.057,501 0.881,502 1.045,503 0.995,504 0.99,505 0.997,506 0.994,507 0.907,508 0.995,509 0.938,510 1.035,511 1.111,512 1.108,513 1.117,514 1.118,515 0.709,516 1.009,517 1.094,518 1.126,519 1.276,520 1.132,521 0.416,522 0.687,523 0.762,524 0.791,525 1.006,526 0.797,527 3,529 2.222,530 1.438,531 1.448,532 0.549,533 0.385,534 0.089,535 0.02,537 3389,538 6248,539 2.226,540 50,541 2,542 18,550 1.63,551 2.143,552 2.678,553 -0.886,555 1,557 1,559 49.38,560 1.234,561 2.809,562 3.846,563 4.565,564 4.884,565 5.003,566 1.883,567 4.322,568 4.299,569 2.728,570 518.381,571 7.401,572 5084.8,573 1,574 1,575 1,576 1,577 212.877,578 1.188,579 4.278,580 0.13,582 0.067,583 0.038,584 0.041,585 0.017,586 0.019,587 0.011,588 0.02,590 0.345,591 0.83,592 1,593 0.432,594 84.276,595 0.136,596 -0.189,597 0.096,598 -0.043,599 0.088,600 0.012,601 -0.209,602 0.147,603 -0.002,604 0.106,605 -0.095,606 0.072,607 -0.028,608 0.017,609 -0.087,610 -0.05,611 -0.115,612 -0.068,613 -0.022,614 -0.087,615 -0.048,616 -0.071,617 0.007,618 -0.063,619 -0.042,620 -0.022,621 -0.024,622 -0.019,623 0.049,624 -0.02,625 -0.094,626 -0.099,627 -0.145,628 -0.133,629 -0.061,630 -0.141,631 -0.039,632 -0.137,633 -0.136,634 -0.154,635 -0.173,636 -0.152,637 0.153,638 0.097,639 0.205,640 0.165,641 0.039,642 0.184,643 0.839,644 0.612,645 0.95,646 10.5,647 0.979,648 1.118,649 3.376,650 11.397,651 0.672,652 3.178,653 3.526,654 3.871,655 4.22,656 4.554,657 4.7,658 4.86,659 4.977,660 5.056,661 5.118,662 3.995,663 0.62,664 264.4,665 3.178,666 4.727,667 5.609,668 6.515,669 7.419,670 8.333,671 9.244,672 10.16,673 11.074,674 11.991,675 5,678 1,681 1,688 8,693 4,695 12,709 1,714 40,716 12,717 2,718 23,720 43,721 18,722 12,723 4,724 8,730 4,731 11,740 2,743 2,745 12,746 6,761 1,764 20,765 2,767 2,773 2,777 0.25,793 3,794 1,798 3,815 1,819 1,823 1,827 20,833 4,837 1,838 2,854 9.333,855 7.4,856 4.306,857 2.492,858 2.517,859 1.338,860 1.03,861 2.867,862 9.958,863 3.401,864 3.97,865 4.538,866 5.104,867 5.667,868 5.879,869 6.284,870 6.673,871 7.014,872 7.307,873 0.6,874 38,875 7.421,877 3.183,878 7.3,879 15.009,881 13.093,883 1.8,884 36,885 0.003,888 235.422,889 105.371,890 6.249,895 105.371,896 235.422,897 6.249,898 8.396,899 8.852,900 75.81,902 18.562,904 235.422,906 235.422,907 111.62,911 235.422,915 11.976,916 99.644,919 235.422,920 6.249,921 105.371,924 235.422,925 21.165,926 90.455,929 235.422,930 6.249,931 105.371,933 0.582,934 0.351,935 0.21,936 0.128,937 19,938 7,941 3,942 1.316,943 3.158,944 169.949,945 0.316,946 19,947 86.439,951 12.131,952 4.727,953 1.999,955 6.249,956 17.877,961 5.895,964 347.042,965 29,975 39.156,976 44.733,977 0.232,978 0.528,979 0.723,980 0.858,981 0.918,982 0.94,983 4.654,984 1.114,985 5.595,986 2.972,987 4.205,988 4.654,989 1.479,990 6.454,991 4.148,992 5.83,993 1,994 7.172,995 2.755,996 3.761,997 4.29,998 0.57,999 7.434,1000 3.652,1001 7.125,1002 0.153,1003 8.856,1004 2.531,1005 5.826,1006 6.754,1007 1.046,1008 10.606,1009 5.71,1010 8.453,1012 10.605,1013 0.387,1014 6.236,1015 7.229,1016 0.581,1017 12.448,1018 6.071,1019 9.816,1020 -0.503,1021 12.395,1023 7.753,1024 9.157,1025 0.775,1026 15.128,1027 7.577,1028 11.205,1029 -0.765,1030 14.215,1031 -1.24,1032 8.569,1033 10.045,1034 0.515,1035 17.313,1036 8.35,1037 12.614,1038 -0.87,1039 16.055,1040 -1.944,1041 9.863,1042 11.719,1043 0.593,1044 19.83,1045 9.626,1046 3.263,1047 -1,1048 17.911,1049 -2.113,1050 10.87,1051 12.822,1052 0.441,1053 22.16,1054 10.594,1055 2.712,1056 11.566,1057 19.778,1058 -2.855,1059 12.078,1060 14.363,1061 0.465,1062 24.623,1063 11.778,1064 2.536,1065 9.277,1066 21.654,1067 4.015,1068 13.174,1069 15.583,1070 0.373,1071 27.015,1072 12.837,1073 2.086,1074 7.86,1075 23.538,1076 3.698,1077 14.353,1078 17.052,1079 0.372,1080 29.462,1081 13.988,1082 1.582,1083 5.835,1084 25.427,1085 2.792,1086 15.49,1087 18.337,1088 0.314,1089 31.882,1090 15.09,1091 1.534,1092 4.324,1093 27.322,1094 2.206,1095 16.662,1096 19.766,1097 0.302,1098 34.325,1099 16.23,1100 1.309,1101 3.557,1102 29.22,1103 2.164,1104 17.819,1105 21.089,1106 0.264,1107 36.758,1108 17.353,1109 3193,1110 4393,1111 16.008,1112 26.864,1113 34.983,1114 34.648,1115 35.57,1116 34.643,1117 34.577,1118 43.241,1119 5.138,1120 102.125,1121 33.615,1122 5.482,1123 5.57,1124 6.573,1125 5.297,1126 5.263,1127 7.015,1128 1.605,1129 19.049,1130 5.16,1131 5.297,1132 1.521,1133 1.506,1134 1.547,1135 1.506,1136 1.503,1137 1.88,1138 0.223,1139 4.44,1140 1.462,1141 4.073,1142 4.11,1143 4.015,1144 4,1145 4.814,1146 3.999,1147 3.798,1148 3.827,1149 3.731,1150 3.747,1151 4.643,1152 3.74,1153 3.71,1154 3.78,1155 3.591,1156 3.53,1157 4.326,1158 3.536,1159 3.197,1160 3.292,1161 3.048,1162 3.072,1163 3.892,1164 3.056,1165 3.163,1166 3.232,1167 3.001,1168 2.989,1169 3.814,1170 2.972,1171 3.116,1172 3.194,1173 2.922,1174 2.943,1175 3.649,1176 2.934,1177 2.819,1178 2.898,1179 2.643,1180 2.691,1181 3.536,1182 2.671,1183 2.755,1184 2.84,1185 2.559,1186 2.611,1187 3.413,1188 2.589,1189 0.195,1190 0.155,1191 0.3,1192 0.184,1193 0.142,1194 4.482,1195 0.175,1196 3.57,1197 0.04,1198 6.889,1199 0.503,1200 4.229,1201 0.137,1202 3.263,1203 4.015,1204 0.916,1205 11.566,1206 3.16,1207 1.96,1208 1.936,1209 2.072,1210 2.065,1211 1.35,1212 2.066,1213 1.923,1214 1.887,1215 2.045,1216 2.023,1217 1.251,1218 2.037,1219 1.65,1220 1.584,1221 1.857,1222 1.825,1223 1.006,1224 1.84,1225 1.2,1226 1.143,1227 1.535,1228 1.446,1229 0.78,1230 1.48,1231 1.174,1232 1.087,1233 1.463,1234 1.354,1235 0.627,1236 1.395,1237 1.151,1238 1.066,1239 1.455,1240 1.34,1241 0.62,1242 1.384,1243 0.843,1244 0.775,1245 1.143,1246 1.049,1247 0.286,1248 1.088,1249 0.79,1250 0.724,1251 1.093,1252 0.973,1253 0.172,1254 1.018,1255 3.85,1257 5.187,1259 6.739,1260 2.708,1261 8.388,1262 5.46,1263 10.086,1265 2.233,1271 4.438,1275 0.494,1276 5.063,1280 24.784,1281 49.38,1282 112.348,1283 153.858,1284 182.612,1285 195.367,1286 200.122,1287 19.397,1288 7.441,1289 6.48,1290 6.48,1291 25,1292 12.502,1293 3.7,1294 2.807,1295 25.787,1296 51,1297 42,1298 0.277,1299 149.883,1300 254.88,1301 357.475,1302 16399,1304 13.527,1305 0.676,1306 0.596,1307 13.527,1308 11.919,1309 9.826,1310 0.427,1311 0.323,1312 7.374,1313 9.624,1314 7.153,1315 5.905,1316 9.826,1317 7.436,1318 8.898,1319 0.27,1320 0.181,1321 8.898,1322 5.976,1323 7.858,1324 0.167,1325 0.1,1326 7.858,1327 4.679,1328 7.046,1329 0.105,1330 0.054,1331 7.046,1332 3.64,1333 6.382,1334 0.068,1335 0.031,1336 6.382,1337 2.882,1338 0.399,1339 60.193,1340 0.25,1341 18.909,1342 0.88,1343 112,1344 219.29,1345 116.496,1346 222.168,1347 321.04,1348 212,1349 136,1350 246.93,1351 141.884,1352 256.2,1353 379.19,1354 242,1355 6.42} {0 CHEMBL65196,1 1.192,2 7.35,3 4.823,4 23.26,5 86.567,6 5.88,7 0.455,8 3.88,9 4.029,10 3.259,11 3.43,12 4.716,13 3.353,14 4.487,15 4.708,16 3.592,17 3.856,18 5.211,19 3.743,20 4.775,21 5.043,22 3.648,23 4.019,24 5.417,25 3.868,26 4.847,27 5.113,28 3.615,29 4.084,30 5.464,31 3.907,32 4.939,33 5.228,34 3.493,35 4.086,36 5.506,37 3.865,38 4.947,39 5.274,40 3.338,41 3.98,42 5.492,43 3.735,44 4.761,45 5.094,46 3.109,47 3.788,48 5.312,49 3.537,50 4.46,51 4.776,52 2.862,53 3.526,54 5.074,55 3.283,56 0.062,57 0.656,58 11.606,59 4.616,60 7.198,61 6.855,62 0.133,63 1.102,64 20.681,65 7.753,66 12.048,67 11.755,68 0.18,69 1.364,70 26.776,71 10.013,72 15.866,73 15.186,74 0.175,75 1.445,76 28.544,77 11.238,78 14.944,79 16.726,80 0.159,81 1.496,82 30.439,83 12.55,84 15.958,85 18.409,86 0.206,87 1.428,88 30.145,89 11.938,90 19.123,91 17.691,92 0.146,93 1.164,94 24.772,95 9.921,96 16.518,97 14.691,98 0.11,99 0.883,100 18.512,101 7.361,102 14.053,103 10.928,104 14,105 30,106 0.208,107 0.517,108 0.737,109 0.792,110 0.799,111 0.799,112 3.059,113 1.111,114 -4.9,115 -4.8,116 -4.51,119 39.1,120 2,121 5,125 2,127 1,140 3,141 3,149 1,150 1,169 10,172 4,176 3,178 11,182 4,186 2,189 11,193 2,197 2,199 10,203 2,208 1,211 11,215 1,218 1,220 1,222 9,233 8,242 2,244 6,254 2,256 2,259 426,260 14.016,261 14.016,262 14.016,263 14.016,264 14.016,265 12.859,266 13.555,267 8.503,268 14.189,269 10.811,270 10.811,271 10.811,272 10.811,273 10.811,274 9.04,275 15.648,276 3.844,277 11.105,278 4.332,279 2.56,280 1.299,281 0.989,282 0.946,283 0.946,284 3.742,288 1,289 1,290 315,291 3.082,294 36.573,295 76.782,298 61.886,299 65.666,302 1.15,303 6.101,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 41,315 147,316 4.593,317 3.341,318 6.722,319 4.174,320 3.183,321 4.525,322 0.8,323 10.959,324 3.154,325 3.907,326 3.008,327 6.13,328 3.734,329 2.788,330 3.292,332 9.012,333 2.639,334 3.66,335 2.53,336 5.695,337 3.341,338 2.367,339 2.76,341 7.552,342 2.3,343 3.183,344 1.97,345 4.769,346 2.768,347 1.778,348 2.476,350 5.064,351 1.759,352 2.675,353 1.692,354 4.419,355 2.59,356 1.613,357 1.711,359 4.284,360 1.573,361 2.636,362 1.315,363 3.79,364 2.237,365 1.247,366 1.666,368 2.858,369 1.233,370 2.247,371 1.298,372 3.427,373 2.205,374 1.224,375 1.247,377 2.117,378 1.199,379 2.092,380 0.914,381 3.247,382 1.812,383 0.834,384 0.993,386 2.058,387 0.814,388 1.974,389 0.789,390 3.178,391 1.684,392 0.71,393 0.852,395 1.46,396 0.691,397 1.645,398 0.56,399 2.813,400 1.478,401 0.501,402 0.592,404 0.925,405 0.489,406 0.892,407 -0.186,408 2.506,409 0.636,410 -0.349,411 -0.402,413 -0.632,414 -0.343,415 0.632,416 -0.287,417 2.258,418 0.521,419 -0.445,420 -0.445,422 -0.825,423 -0.428,424 0.555,425 -0.529,426 2.178,427 0.302,428 -0.688,429 -0.802,431 -1.797,432 -0.68,433 0.288,434 -0.901,435 1.87,436 0.03,437 -0.956,438 -1.062,440 -1.945,441 -0.941,442 -0.006,443 -1.079,444 1.555,445 -0.129,446 -1.122,447 -1.428,449 -3.038,450 -1.113,451 9.8,452 0.49,453 0.342,454 0.017,455 20.25,456 1.013,457 8,458 0.4,459 12.25,460 0.613,461 20.479,462 1.024,463 22.6,464 0.491,465 10.617,466 0.531,467 3.373,468 0.169,469 6.457,470 0.323,471 0.102,473 0.296,479 1.126,480 1.378,481 1.057,482 1.189,483 1.096,484 1.131,485 1.393,486 1.171,487 1.053,488 1.046,489 0.919,490 1.032,491 1.361,492 0.983,493 1.005,494 0.932,495 0.848,496 0.945,497 1.177,498 1.051,499 1.11,500 1.072,501 0.927,502 1.084,503 0.689,504 1.134,505 1.052,506 1.153,507 0.872,508 1.129,509 0.741,510 0.898,511 0.911,512 0.935,513 0.83,514 0.934,515 0.768,516 0.835,517 0.879,518 0.879,519 0.976,520 0.884,521 0.876,522 0.968,523 1,524 1.008,525 1.17,526 1.011,527 3,529 2.444,530 0.938,531 0.978,532 0.604,533 0.335,534 0.224,535 0.128,536 0.081,537 3481,538 5549,539 2.107,540 56.5,541 8,542 8,543 1,545 1,547 8,550 1.623,551 2,552 2.932,553 -0.419,559 54.814,560 1.192,561 2.964,562 4.224,563 4.534,564 4.578,565 4.578,566 2.261,567 3.409,568 4.293,569 3.05,570 579.49,571 7.359,572 5835.69,574 1,577 254.084,578 1.295,579 4.266,580 0.136,582 0.081,583 0.03,584 0.034,585 0.025,586 0.017,587 0.014,588 0.011,589 0.013,590 0.362,591 0.67,592 1,593 1.429,594 87.064,595 0.076,596 -0.107,597 0.069,598 -0.011,599 0.053,600 0.021,601 -0.036,602 -0.018,603 0.022,604 0.014,605 0.068,606 0.02,607 -0.083,608 0.077,609 0.023,610 0.065,611 0.058,612 0.053,613 -0.129,614 -0.009,615 -0.102,616 -0.055,617 -0.079,618 -0.073,619 0.013,620 -0.175,621 -0.093,622 -0.149,623 -0.05,624 -0.131,625 0.11,626 0.007,627 0.028,628 0.004,629 0.063,630 0.01,631 0.008,632 0.052,633 0.05,634 0.058,635 -0.022,636 0.057,637 -0.039,638 -0.047,639 -0.055,640 -0.054,641 -0.046,642 -0.055,643 0.595,644 0.85,645 0.65,646 13.16,647 0.974,648 1.13,649 3.668,650 13.457,651 0.634,652 3.135,653 3.434,654 3.761,655 4.06,656 4.277,657 4.394,658 4.543,659 4.663,660 4.644,661 4.533,662 4.726,663 0.573,664 270.46,665 3.135,666 4.654,667 5.517,668 6.402,669 7.29,670 8.185,671 9.081,672 9.98,673 10.88,674 11.781,675 4.3,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 46,716 10,717 1,718 22,720 48,721 18,722 8,723 4,724 2,730 3,731 6,736 2,740 4,743 6,745 8,746 10,764 26,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 20,833 7,837 1,838 1,854 10,855 8.617,856 4.611,857 3.406,858 2.108,859 1.308,860 0.981,861 4.231,862 8.963,863 3.332,864 3.897,865 4.523,866 5.137,867 5.613,868 5.98,869 6.354,870 6.711,871 6.672,872 6.788,873 0.8,874 31,875 7.448,877 3.073,878 7.25,879 15.262,881 12.981,883 1.75,884 35,885 0.004,888 294.278,889 83.099,890 19.91,895 83.099,896 294.278,897 19.91,898 17.65,899 16.884,900 37.476,902 28.854,903 13.915,904 282.506,906 294.278,907 103.009,911 200.109,912 94.169,915 54.444,916 48.564,919 294.278,920 19.91,921 83.099,924 294.278,925 27.972,926 58.251,927 16.786,929 294.278,930 19.91,931 83.099,933 0.558,934 0.343,935 0.204,936 0.111,937 15,938 6,939 0.104,940 5,941 2,942 1.308,943 3.216,944 153.427,945 0.308,946 13,947 80.439,951 13.847,952 6.11,953 2.709,954 2.738,955 3.124,956 8.893,958 3.35,961 3.165,963 16.786,964 397.286,965 27,975 44.807,976 51.979,977 0.216,978 0.537,979 0.765,980 0.821,981 0.829,982 0.829,983 4.559,984 0.834,985 5.485,986 2.117,987 4.111,988 4.58,989 0.673,990 6.319,991 4.062,992 5.729,993 0.71,994 7.05,995 2.058,996 3.611,997 4.388,998 0.325,999 7.273,1000 3.531,1001 7.031,1002 0.501,1003 8.723,1004 1.46,1005 5.707,1006 6.801,1007 0.379,1008 10.405,1009 5.61,1010 8.376,1011 -0.349,1012 10.46,1013 0.925,1014 6.111,1015 7.567,1016 0.268,1017 12.207,1018 5.99,1019 9.763,1020 -0.445,1021 12.238,1022 -0.632,1023 7.618,1024 9.417,1025 0.239,1026 14.836,1027 7.484,1028 11.179,1029 -0.688,1030 14.043,1031 -0.825,1032 8.429,1033 10.602,1034 0.188,1035 16.969,1036 8.279,1037 12.616,1038 -0.956,1039 15.866,1040 -1.797,1041 9.705,1042 12.244,1043 0.156,1044 19.433,1045 9.546,1046 3.183,1047 -1.122,1048 17.703,1049 -1.945,1050 10.699,1051 13.613,1052 0.125,1053 21.706,1054 10.53,1055 2.788,1056 10.959,1057 19.55,1058 -3.038,1059 11.885,1060 15.174,1061 0.102,1062 24.115,1063 11.709,1064 2.367,1065 9.012,1066 21.404,1067 4.525,1068 12.961,1069 16.623,1070 0.082,1071 26.448,1072 12.778,1073 1.778,1074 7.552,1075 23.265,1076 3.292,1077 14.116,1078 18.152,1079 0.066,1080 28.84,1081 13.928,1082 1.613,1083 5.064,1084 25.131,1085 2.76,1086 15.228,1087 19.636,1088 0.054,1089 31.202,1090 15.036,1091 1.247,1092 4.284,1093 27.001,1094 2.476,1095 16.374,1096 21.153,1097 0.043,1098 33.59,1099 16.177,1100 1.224,1101 2.858,1102 28.875,1103 1.711,1104 17.505,1105 22.651,1106 0.035,1107 35.966,1108 17.303,1109 3463,1110 4470,1111 14.909,1112 29.148,1113 32.68,1114 32.508,1115 33.834,1116 32.499,1117 32.49,1118 40.23,1119 1.6,1120 92.578,1121 31.701,1122 5.538,1123 5.341,1124 6.524,1125 5.187,1126 5.183,1127 7.525,1128 1.2,1129 18.173,1130 5.154,1131 7.936,1132 1.485,1133 1.478,1134 1.538,1135 1.477,1136 1.477,1137 1.829,1138 0.073,1139 4.208,1140 1.441,1141 4.153,1142 4.186,1143 4.106,1144 4.079,1145 4.968,1146 4.082,1147 3.816,1148 3.884,1149 3.701,1150 3.656,1151 4.392,1152 3.658,1153 3.605,1154 3.673,1155 3.461,1156 3.468,1157 4.239,1158 3.456,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.04,1164 3.32,1165 3.29,1166 3.354,1167 3.146,1168 3.177,1169 3.953,1170 3.162,1171 3.048,1172 3.143,1173 2.848,1174 2.875,1175 3.662,1176 2.855,1177 3.012,1178 3.104,1179 2.81,1180 2.815,1181 3.541,1182 2.804,1183 2.747,1184 2.833,1185 2.531,1186 2.576,1187 3.297,1188 2.553,1189 0.209,1190 0.152,1191 0.306,1192 0.19,1193 0.145,1194 4.593,1195 0.206,1196 3.341,1197 0.036,1198 6.722,1199 0.498,1200 4.174,1201 0.143,1202 3.183,1203 4.525,1204 0.8,1205 10.959,1206 3.154,1207 2.029,1208 2.004,1209 2.14,1210 2.114,1211 1.476,1212 2.125,1213 1.739,1214 1.674,1215 1.965,1216 1.925,1217 1.231,1218 1.94,1219 1.539,1220 1.471,1221 1.861,1222 1.747,1223 1.09,1224 1.785,1225 1.537,1226 1.459,1227 1.752,1228 1.738,1229 0.989,1230 1.751,1231 1.46,1232 1.405,1233 1.649,1234 1.614,1235 0.777,1236 1.637,1237 1.176,1238 1.1,1239 1.484,1240 1.395,1241 0.643,1242 1.432,1243 0.989,1244 0.885,1245 1.37,1246 1.246,1247 0.545,1248 1.295,1249 0.852,1250 0.777,1251 1.24,1252 1.062,1253 0.403,1254 1.131,1255 3.807,1257 5.106,1258 2.398,1259 6.624,1260 4.595,1261 8.252,1262 6.605,1263 9.941,1265 4.591,1271 8.807,1275 0.739,1276 2.717,1280 26.364,1281 54.814,1282 136.335,1283 194.309,1284 208.574,1285 210.574,1286 210.574,1287 23.455,1288 6.854,1289 19.03,1290 19.03,1291 17,1292 12.303,1293 3.459,1294 2.585,1295 29.803,1296 58,1297 54,1298 0.269,1299 163.131,1300 272.52,1301 389.801,1302 7434,1304 13.949,1305 0.697,1306 0.639,1307 13.949,1308 12.784,1309 9.83,1310 0.447,1311 0.37,1312 8.102,1313 9.658,1314 7.849,1315 6.577,1316 9.83,1317 8.15,1318 8.267,1319 0.276,1320 0.202,1321 8.267,1322 6.075,1323 7.25,1324 0.173,1325 0.111,1326 7.25,1327 4.668,1328 6.386,1329 0.112,1330 0.066,1331 6.386,1332 3.739,1333 5.075,1334 0.071,1335 0.039,1336 5.075,1337 2.753,1338 0.405,1339 60.009,1340 0.259,1341 19.52,1342 0.789,1343 104,1344 185.978,1345 108.135,1346 188.3,1347 273.92,1348 180,1349 124,1350 213.437,1351 128.663,1352 219.093,1353 324.59,1354 209,1355 7.404} {0 CHEMBL65215,1 1.573,2 15.457,3 4.284,4 18.355,5 133.171,6 7.541,7 0.538,8 4.266,9 4.4,10 3.844,11 3.77,12 5.346,13 3.76,14 4.85,15 5.043,16 4.247,17 4.194,18 6.038,19 4.169,20 5.13,21 5.356,22 4.217,23 4.361,24 6.186,25 4.278,26 5.232,27 5.489,28 4.204,29 4.388,30 6.172,31 4.275,32 5.284,33 5.562,34 4.22,35 4.317,36 6.329,37 4.222,38 5.178,39 5.447,40 4.128,41 4.226,42 6.251,43 4.14,44 5.076,45 5.343,46 4.057,47 4.157,48 6.104,49 4.06,50 5.007,51 5.275,52 3.929,53 4.059,54 6.028,55 3.964,56 0.086,57 1.205,58 12.966,59 5.784,60 16.911,61 7.581,62 0.539,63 2.096,64 26.763,65 9.591,66 70.058,67 12.866,68 0.765,69 2.398,70 38.272,71 13.78,72 83.289,73 18.026,74 0.48,75 2.442,76 43.155,77 15.819,78 69.209,79 22.029,80 0.925,81 2.614,82 48.987,83 15.737,84 122.616,85 21.375,86 0.952,87 2.374,88 43.965,89 13.673,90 112.311,91 18.26,92 0.805,93 2.088,94 38.703,95 12.411,96 84.395,97 17.355,98 0.614,99 1.972,100 36.111,101 11.416,102 84.374,103 15.563,104 17,105 56,106 0.25,107 0.572,108 0.726,109 0.807,110 0.817,111 0.837,112 3.588,113 0.915,114 -5.91,115 -5.77,116 -5.37,119 40.6,120 1,121 1,122 1,125 6,130 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 3,176 3,178 11,181 1,182 5,186 3,189 10,193 8,199 4,203 9,206 1,211 1,215 6,218 1,226 6,229 2,236 1,237 4,244 1,249 1,252 1,256 3,259 2389,260 23.48,261 23.48,262 23.48,263 23.48,264 23.48,265 21.041,266 26.61,267 13.672,268 24.13,269 19.279,270 19.279,271 19.279,272 19.279,273 19.279,274 15.674,275 26.62,276 6.555,277 20.421,278 4.427,279 2.397,280 1.429,281 0.918,282 0.856,283 0.731,284 4.291,289 1,290 1197,291 4.062,294 192.499,295 369.26,298 164.678,302 2.475,303 44.103,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 77.5,315 541,316 4.586,317 4.023,318 6.815,319 4.203,320 3.282,321 4.521,322 1.51,323 11.338,324 3.095,325 4.227,326 3.17,327 6.511,328 3.992,329 3.052,330 3.734,331 0.8,332 10.251,333 2.816,334 4.116,335 3.128,336 6.091,337 3.836,338 2.853,339 3.669,340 0.8,341 8.867,342 2.776,343 4.099,344 2.921,345 6.058,346 3.67,347 2.736,348 3.239,350 8.719,351 2.55,352 3.665,353 2.864,354 5.454,355 3.485,356 2.558,357 2.876,359 7.25,360 2.36,361 3.502,362 2.767,363 5.16,364 3.218,365 2.281,366 2.756,368 6.352,369 2.124,370 3.369,371 2.449,372 5.046,373 2.972,374 2.043,375 2.593,377 5.922,378 1.913,379 3.234,380 2.093,381 4.977,382 2.872,383 1.919,384 2.531,386 5.747,387 1.796,388 3.075,389 1.789,390 4.513,391 2.716,392 1.76,393 2.099,395 4.654,396 1.677,397 2.715,398 1.408,399 4.122,400 2.239,401 1.264,402 1.814,404 3.376,405 1.226,406 2.5,407 1.289,408 4.024,409 2.215,410 1.245,411 1.5,413 3.313,414 1.204,415 2.445,416 1.146,417 3.466,418 2,419 1,420 1.439,422 2.275,423 1,424 2.39,425 1,426 3.414,427 1.967,428 1,429 1.34,431 2.275,432 0.965,433 2.118,434 0.978,435 3.414,436 1.888,437 0.926,438 1,440 2.155,441 0.888,442 2.089,443 0.705,444 3.314,445 1.591,446 0.637,447 0.927,449 1.574,450 0.606,451 16.257,452 0.464,453 0.984,454 0.028,455 41.5,456 1.186,457 18,458 0.514,459 23.5,460 0.671,461 34.236,462 0.978,463 38.943,464 0.608,465 33.157,466 0.947,467 8.266,468 0.236,469 8.594,470 0.246,471 0.083,472 0.031,473 0.289,475 2,477 1,479 0.586,480 1.168,481 0.725,482 1.155,483 0.521,484 1.016,485 0.75,486 0.952,487 0.853,488 0.946,489 0.544,490 0.917,491 1.064,492 0.979,493 1.158,494 1.078,495 1.074,496 1.132,497 0.673,498 1.01,499 0.898,500 1.146,501 0.641,502 1.101,503 1.071,504 1.042,505 0.942,506 0.973,507 1.154,508 0.941,509 1.257,510 1.042,511 1.069,512 0.944,513 1.323,514 0.957,515 0.897,516 0.931,517 0.96,518 0.992,519 0.971,520 0.998,521 1.111,522 1.074,523 1.069,524 1.041,525 1.086,526 1.04,527 8.5,528 0.19,529 4.222,530 2.257,531 2.018,532 1.347,533 0.77,534 0.548,535 0.417,536 0.288,537 21439,538 59741,539 2.116,540 45.3,541 3,542 19,543 1,544 2,545 1,547 1,548 2,550 1.762,551 1.991,552 3.874,553 -0.345,559 100.642,560 1.573,561 3.603,562 4.571,563 5.082,564 5.144,565 5.269,566 3.375,567 4.729,568 5.099,569 4.078,570 2426.16,571 8.923,572 39858,577 384,578 1.482,579 5.06,580 0.218,581 0.007,582 0.075,583 0.043,584 0.04,585 0.027,586 0.017,587 0.013,588 0.012,589 0.008,590 0.461,591 0.33,592 0.63,593 0.504,594 193.26,595 0.001,596 -0.145,597 0.059,598 -0.075,599 -0.03,600 -0.014,601 0.06,602 0.06,603 0.032,604 0.055,605 0.157,606 0.046,607 -0.087,608 0.073,609 -0.212,610 -0.052,611 -0.085,612 -0.14,613 0.014,614 -0.173,615 0.033,616 -0.133,617 0.028,618 -0.066,619 -0.001,620 -0.063,621 0.088,622 0.011,623 -0.035,624 0.056,625 -0.074,626 0.009,627 -0.028,628 0.034,629 -0.092,630 0.019,631 0.059,632 0.007,633 0.036,634 -0.019,635 -0.026,636 -0.008,637 -0.098,638 -0.114,639 -0.061,640 -0.078,641 -0.072,642 -0.062,643 4.092,644 7.11,645 0.743,646 45.094,647 1.01,648 1.147,649 4.684,650 21.94,651 0.652,652 3.689,653 4.043,654 4.277,655 4.543,656 4.727,657 4.812,658 4.963,659 5.069,660 5.124,661 5.182,662 8.872,663 0.627,664 482.61,665 3.689,666 5.252,667 6.098,668 6.986,669 7.846,670 8.735,671 9.602,672 10.492,673 11.364,674 12.255,675 9.4,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 64,716 21,717 2,718 39,720 68,721 26,722 16,723 5,724 7,730 5,731 6,736 1,738 1,743 2,745 16,746 10,747 1,762 3,764 29,765 7,766 1,767 9,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 3,827 35,833 7,837 1,838 2,839 1,844 1,846 3,854 17.583,855 11.595,856 7.444,857 3.876,858 3.526,859 1.424,860 1.011,861 6.859,862 11.836,863 3.922,864 4.522,865 5.077,866 5.658,867 6.107,868 6.449,869 6.872,870 7.273,871 7.488,872 7.734,873 1,874 52,875 13.189,877 5.909,878 7.888,879 24.871,881 21.051,883 2.388,884 83.583,888 329.591,889 141.402,890 58.259,893 44.88,895 141.402,896 329.591,897 103.14,898 8.825,899 15.169,900 75.381,901 74.105,902 77.499,903 28.875,904 294.278,906 329.591,907 199.662,908 44.88,911 309.238,912 65.234,914 1.824,915 66.164,916 98.347,917 33.326,919 374.471,920 58.259,921 141.402,924 331.415,925 38.135,926 109.591,927 16.786,928 78.206,929 329.591,930 103.14,931 141.402,933 0.592,934 0.332,935 0.176,936 0.093,937 28,938 12,939 0.118,940 8,941 1,942 1.077,943 4.702,944 327.847,945 0.077,946 26,947 165.525,951 23.902,952 10.043,953 5.712,954 1.618,955 84.455,956 17.131,957 7.63,958 3.112,961 2.287,962 1.755,963 16.786,964 574.133,965 49.5,975 64.636,976 73.407,977 0.262,978 0.6,979 0.762,980 0.847,981 0.857,982 0.878,983 5.183,984 1.919,985 6.111,986 5.922,987 4.727,988 5.209,989 2.012,990 6.934,991 4.617,992 6.392,993 1.76,994 7.68,995 5.747,996 4.443,997 5.017,998 0.57,999 7.991,1000 4.211,1001 7.703,1002 1.264,1003 9.35,1004 4.654,1005 6.378,1006 7.389,1007 2.511,1008 10.993,1009 6.153,1010 9.047,1011 1.245,1012 11.081,1013 3.376,1014 6.889,1015 8.041,1016 0.479,1017 12.848,1018 6.546,1019 10.423,1020 1,1021 12.85,1022 3.313,1023 8.319,1024 9.891,1025 3.229,1026 15.416,1027 7.97,1028 11.82,1029 1,1030 14.646,1031 2.275,1032 9.174,1033 10.955,1034 0.346,1035 17.586,1036 8.725,1037 13.234,1038 0.926,1039 16.461,1040 2.275,1041 10.42,1042 12.591,1043 4.014,1044 20.024,1045 9.945,1046 3.282,1047 0.637,1048 18.291,1049 2.155,1050 11.432,1051 13.868,1052 0.237,1053 22.324,1054 10.873,1055 3.052,1056 11.338,1057 20.132,1058 1.574,1059 12.609,1060 15.414,1061 4.824,1062 24.726,1063 12.01,1064 2.853,1065 10.251,1066 21.982,1067 4.521,1068 13.695,1069 16.801,1070 0.158,1071 27.083,1072 13.023,1073 2.736,1074 8.867,1075 23.84,1076 3.734,1077 14.85,1078 18.313,1079 5.643,1080 29.479,1081 14.129,1082 2.558,1083 8.719,1084 25.704,1085 3.669,1086 15.972,1087 19.756,1088 0.104,1089 31.862,1090 15.184,1091 2.281,1092 7.25,1093 27.573,1094 3.239,1095 17.123,1096 21.256,1097 6.464,1098 34.262,1099 16.282,1100 2.043,1101 6.352,1102 29.446,1103 2.876,1104 18.264,1105 22.728,1106 0.068,1107 36.658,1108 17.36,1109 19808,1110 33256,1111 26.235,1112 41.745,1113 59.643,1114 58.905,1115 59.461,1116 59.018,1117 58.786,1118 74.342,1119 6.22,1120 171.993,1121 55.513,1122 5.586,1123 6.023,1124 6.411,1125 5.271,1126 5.282,1127 7.521,1128 3.02,1129 18.375,1130 5.095,1131 16.048,1132 1.529,1133 1.51,1134 1.525,1135 1.513,1136 1.507,1137 1.906,1138 0.159,1139 4.41,1140 1.423,1141 4.156,1142 4.194,1143 4.117,1144 4.062,1145 8.358,1146 4.071,1147 3.964,1148 4.008,1149 3.895,1150 3.883,1151 8.201,1152 3.88,1153 3.849,1154 3.915,1155 3.798,1156 3.652,1157 7.999,1158 3.668,1159 3.814,1160 3.883,1161 3.735,1162 3.579,1163 5.135,1164 3.617,1165 3.592,1166 3.651,1167 3.517,1168 3.399,1169 4.924,1170 3.414,1171 3.442,1172 3.508,1173 3.309,1174 3.29,1175 4.649,1176 3.285,1177 3.278,1178 3.344,1179 3.189,1180 3.097,1181 4.358,1182 3.11,1183 3.111,1184 3.206,1185 2.882,1186 2.941,1187 4.251,1188 2.91,1189 0.118,1190 0.103,1191 0.175,1192 0.108,1193 0.084,1194 4.586,1195 0.116,1196 4.023,1197 0.039,1198 6.815,1199 0.291,1200 4.203,1201 0.079,1202 3.282,1203 4.521,1204 1.51,1205 11.338,1206 3.095,1207 1.96,1208 1.936,1209 2.073,1210 2.069,1211 1.369,1212 2.071,1213 1.935,1214 1.905,1215 2.035,1216 2.048,1217 1.251,1218 2.046,1219 1.79,1220 1.725,1221 1.97,1222 1.979,1223 1.2,1224 1.981,1225 1.637,1226 1.586,1227 1.803,1228 1.83,1229 1.026,1230 1.823,1231 1.48,1232 1.416,1233 1.728,1234 1.686,1235 0.884,1236 1.694,1237 1.396,1238 1.327,1239 1.546,1240 1.639,1241 0.825,1242 1.625,1243 1.27,1244 1.206,1245 1.513,1246 1.501,1247 0.697,1248 1.498,1249 1.153,1250 1.064,1251 1.469,1252 1.442,1253 0.58,1254 1.429,1255 4.369,1257 5.714,1258 3.045,1259 7.231,1260 5.283,1261 8.823,1262 7.286,1263 10.457,1265 2.115,1267 43.394,1271 2.968,1275 0.258,1276 4.158,1277 -2.842,1280 40.127,1281 100.642,1282 230.561,1283 292.574,1284 325.245,1285 329.245,1286 337.245,1287 74.579,1288 8.309,1289 52.98,1290 52.98,1291 28,1292 12.787,1293 4.459,1294 3.524,1295 52.599,1296 187,1297 198,1298 0.133,1299 241.218,1300 413.41,1301 580.332,1302 57665,1303 4.7,1304 24.416,1305 0.698,1306 0.562,1307 21.753,1308 19.671,1309 16.86,1310 0.432,1311 0.305,1312 11.68,1313 16.03,1314 11.448,1315 9.391,1316 15.759,1317 11.892,1318 16.071,1319 0.287,1320 0.169,1321 13.808,1322 9.475,1323 12.862,1324 0.181,1325 0.096,1326 11.982,1327 6.808,1328 10.81,1329 0.116,1330 0.053,1331 9.941,1332 4.883,1333 8.35,1334 0.075,1335 0.03,1336 7.584,1337 3.366,1338 0.217,1339 106.78,1340 0.195,1341 32.932,1342 0.345,1343 190,1344 662.892,1345 215.683,1346 566.039,1347 751.8,1348 528,1349 222,1350 540.476,1351 245.604,1352 529.636,1353 775.26,1354 497,1355 8.745} {0 CHEMBL65321,1 1.517,2 14.971,3 4.481,4 20.078,5 132.663,6 7.26,7 0.553,8 4.259,9 4.396,10 3.812,11 3.771,12 5.309,13 3.751,14 4.836,15 5.035,16 4.167,17 4.196,18 5.838,19 4.153,20 5.112,21 5.344,22 4.16,23 4.364,24 6.065,25 4.263,26 5.221,27 5.483,28 4.132,29 4.39,30 6.079,31 4.257,32 5.266,33 5.552,34 4.118,35 4.321,36 6.196,37 4.196,38 5.16,39 5.438,40 4.022,41 4.23,42 6.123,43 4.112,44 5.05,45 5.327,46 3.981,47 4.16,48 5.923,49 4.04,50 5,51 5.272,52 3.839,53 4.062,54 5.956,55 3.944,56 0.044,57 1.134,58 13.682,59 5.754,60 11.772,61 7.853,62 0.287,63 1.851,64 27.014,65 9.522,66 29.158,67 13.313,68 0.492,69 2.24,70 37.668,71 13.693,72 54.159,73 18.832,74 0.301,75 2.301,76 42.639,77 15.755,78 51.65,79 22.537,80 0.619,81 2.413,82 47.338,83 15.651,84 84.149,85 22.117,86 0.75,87 2.2,88 42.803,89 13.579,90 85.821,91 19.021,92 0.427,93 1.905,94 36.876,95 12.327,96 47.499,97 18.162,98 0.503,99 1.892,100 35.93,101 11.388,102 70.865,103 15.843,104 10,105 53,106 0.241,107 0.563,108 0.741,109 0.832,110 0.842,111 0.862,112 3.56,113 0.935,114 -5.81,115 -5.68,116 -5.29,119 40.6,120 1,121 1,122 1,125 6,127 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 3,176 3,178 11,181 1,182 5,186 3,189 9,193 8,199 4,203 8,206 1,211 2,215 7,218 1,226 6,229 2,236 1,237 3,244 1,249 2,252 1,256 3,259 2150,260 23.187,261 23.187,262 23.187,263 23.187,264 23.187,265 20.748,266 25.321,267 13.698,268 23.756,269 18.797,270 18.797,271 18.797,272 18.797,273 18.797,274 15.175,275 25.631,276 6.564,277 19.761,278 4.483,279 2.455,280 1.335,281 0.762,282 0.699,283 0.574,284 4.267,289 1,290 1129,291 3.674,294 185.677,295 354.899,298 158.708,302 2.388,303 31.788,306 0.75,307 0.67,308 1,309 0.8,310 0.5,311 1,312 1,313 0.82,314 74,315 509,316 4.571,317 3.243,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.142,326 3.158,327 6.098,328 3.855,329 2.875,330 3.732,331 0.8,332 8.897,333 2.826,334 4.131,335 3.037,336 6.081,337 3.703,338 2.766,339 3.703,341 8.825,342 2.589,343 3.714,344 2.903,345 5.562,346 3.587,347 2.658,348 2.849,350 7.593,351 2.459,352 3.547,353 2.799,354 5.314,355 3.323,356 2.391,357 2.78,359 6.849,360 2.22,361 3.435,362 2.651,363 5.14,364 3.131,365 2.184,366 2.647,368 6.212,369 2.058,370 3.28,371 2.391,372 4.951,373 2.952,374 2.009,375 2.582,377 5.738,378 1.887,379 3.204,380 2.038,381 4.652,382 2.752,383 1.807,384 2.3,386 4.862,387 1.701,388 2.899,389 1.787,390 4.506,391 2.648,392 1.703,393 1.954,395 4.647,396 1.593,397 2.715,398 1.471,399 4.074,400 2.302,401 1.327,402 1.803,404 3.324,405 1.284,406 2.681,407 1.286,408 3.972,409 2.203,410 1.236,411 1.746,413 3.231,414 1.192,415 2.385,416 1.146,417 3.466,418 2.025,419 1.031,420 1.334,422 2.458,423 1.024,424 2.323,425 1.058,426 3.414,427 1.967,428 1,429 1.289,431 2.275,432 0.965,433 2.118,434 0.975,435 3.34,436 1.882,437 0.921,438 1,440 2.144,441 0.882,442 2.074,443 0.703,444 3.208,445 1.582,446 0.628,447 0.927,449 1.542,450 0.597,451 15.971,452 0.47,453 0.797,454 0.023,455 40.75,456 1.199,457 18,458 0.529,459 22.75,460 0.669,461 32.442,462 0.954,463 37.429,464 0.585,465 30.6,466 0.9,467 8.058,468 0.237,469 8.489,470 0.25,471 0.067,473 0.326,474 1,477 1,479 0.618,480 1.228,481 0.768,482 1.156,483 0.51,484 1.024,485 0.916,486 0.995,487 0.94,488 0.945,489 0.667,490 0.934,491 1.006,492 0.984,493 1.115,494 1.081,495 0.984,496 1.114,497 0.653,498 1.02,499 0.927,500 1.146,501 0.609,502 1.107,503 1.038,504 1.019,505 0.938,506 0.971,507 1.115,508 0.948,509 1.262,510 0.983,511 1.084,512 0.939,513 1.388,514 0.974,515 0.665,516 0.918,517 0.855,518 0.995,519 0.63,520 0.97,521 1.327,522 1.1,523 1.163,524 1.038,525 1.371,526 1.061,527 7,528 0.128,529 3.556,530 1.882,531 1.743,532 1.017,533 0.629,534 0.426,535 0.281,536 0.248,537 20430,538 52836,539 2.145,540 46.9,541 3,542 20,543 1,544 2,545 1,547 3,550 1.754,551 2.04,552 3.856,553 -0.363,559 97.072,560 1.517,561 3.545,562 4.665,563 5.238,564 5.301,565 5.426,566 3.278,567 4.712,568 5.06,569 4.069,570 2282.72,571 8.835,572 37282.5,577 384,578 1.286,579 5.033,580 0.184,581 0.005,582 0.067,583 0.038,584 0.037,585 0.023,586 0.015,587 0.011,588 0.009,589 0.008,590 0.396,591 0.33,592 0.63,593 0.459,594 186.844,595 0.019,596 -0.158,597 0.068,598 -0.075,599 -0.001,600 -0.013,601 -0.083,602 0.036,603 -0.027,604 0.055,605 0.003,606 0.035,607 -0.076,608 0.045,609 -0.167,610 -0.057,611 -0.058,612 -0.115,613 0.019,614 -0.166,615 0.008,616 -0.131,617 0.037,618 -0.079,619 0.005,620 -0.056,621 0.077,622 0.012,623 -0.009,624 0.048,625 -0.049,626 0.069,627 -0.05,628 0.038,629 -0.101,630 0.001,631 0.091,632 -0.073,633 0.11,634 -0.027,635 0.044,636 0.028,637 -0.141,638 -0.058,639 -0.137,640 -0.072,641 -0.129,642 -0.095,643 2.268,644 7.089,645 0.765,646 42.381,647 1.002,648 1.142,649 4.585,650 21.018,651 0.653,652 3.664,653 3.989,654 4.248,655 4.511,656 4.682,657 4.745,658 4.905,659 4.997,660 5.056,661 5.118,662 8.896,663 0.621,664 464.62,665 3.664,666 5.209,667 6.057,668 6.93,669 7.791,670 8.667,671 9.534,672 10.411,673 11.282,674 12.161,675 9.4,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 64,716 21,717 2,718 38,720 68,721 26,722 16,723 5,724 7,728 1,730 5,731 6,736 1,743 2,745 16,746 10,747 1,762 2,764 30,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 2,827 34,833 7,837 2,838 2,844 1,846 2,854 16.667,855 11.536,856 7.361,857 3.936,858 3.555,859 1.429,860 1.011,861 6.935,862 11.836,863 3.902,864 4.489,865 5.064,866 5.649,867 6.083,868 6.414,869 6.846,870 7.239,871 7.448,872 7.68,873 0.9,874 50,875 12.669,877 5.476,878 7.725,879 24.489,881 20.679,883 2.225,884 75.667,888 341.362,889 141.758,890 58.259,893 29.92,895 141.758,896 341.362,897 88.179,898 8.825,899 17.348,900 75.381,901 74.105,902 45.755,903 43.835,904 306.049,906 341.362,907 200.017,908 29.92,911 335.969,912 35.313,915 68.344,916 98.347,917 33.326,919 371.282,920 58.259,921 141.758,924 343.541,925 38.135,926 109.591,927 16.786,928 63.246,929 341.362,930 88.179,931 141.758,933 0.583,934 0.336,935 0.183,936 0.095,937 26,938 11,939 0.118,940 8,941 1,942 1.077,943 4.692,944 311.308,945 0.077,946 26,947 164.974,951 23.01,952 10.248,953 5.505,954 2.032,955 69.495,956 18.132,957 7.726,958 3.26,961 2.781,962 1.845,963 16.786,964 571.299,965 48.5,975 64.123,976 73.067,977 0.253,978 0.591,979 0.778,980 0.873,981 0.883,982 0.904,983 5.143,984 1.807,985 6.033,986 5.738,987 4.673,988 5.176,989 1.072,990 6.817,991 4.579,992 6.328,993 1.703,994 7.572,995 4.862,996 4.205,997 4.89,998 0.57,999 7.627,1000 4.049,1001 7.617,1002 1.327,1003 9.206,1004 4.647,1005 6.244,1006 7.342,1007 0.653,1008 10.711,1009 6.072,1010 8.94,1011 1.236,1012 10.895,1013 3.324,1014 6.594,1015 7.957,1016 0.479,1017 12.357,1018 6.377,1019 10.298,1020 1.031,1021 12.622,1022 3.231,1023 8.079,1024 9.846,1025 0.432,1026 14.936,1027 7.847,1028 11.681,1029 1,1030 14.374,1031 2.458,1032 8.811,1033 10.905,1034 0.346,1035 16.946,1036 8.549,1037 13.083,1038 0.921,1039 16.145,1040 2.275,1041 10.067,1042 12.559,1043 0.291,1044 19.349,1045 9.79,1046 3.126,1047 0.628,1048 17.931,1049 2.144,1050 10.986,1051 13.84,1052 0.237,1053 21.526,1054 10.69,1055 2.875,1056 10.462,1057 19.729,1058 1.542,1059 12.147,1060 15.395,1061 0.195,1062 23.867,1063 11.836,1064 2.766,1065 8.897,1066 21.536,1067 4.519,1068 13.159,1069 16.786,1070 0.158,1071 26.122,1072 12.833,1073 2.658,1074 8.825,1075 23.352,1076 3.732,1077 14.281,1078 18.301,1079 0.129,1080 28.447,1081 13.942,1082 2.391,1083 7.593,1084 25.174,1085 3.703,1086 15.34,1087 19.747,1088 0.104,1089 30.739,1090 14.989,1091 2.184,1092 6.849,1093 27.002,1094 2.849,1095 16.449,1096 21.249,1097 0.084,1098 33.063,1099 16.086,1100 2.009,1101 6.212,1102 28.836,1103 2.78,1104 17.533,1105 22.722,1106 0.068,1107 35.376,1108 17.158,1109 18796,1110 30397,1111 25.948,1112 41.807,1113 57.597,1114 57.027,1115 57.75,1116 57.033,1117 56.909,1118 72.474,1119 3.2,1120 161.733,1121 54.136,1122 5.571,1123 5.243,1124 6.169,1125 5.174,1126 5.126,1127 7.519,1128 1.2,1129 17.208,1130 5.068,1131 13.81,1132 1.516,1133 1.501,1134 1.52,1135 1.501,1136 1.498,1137 1.907,1138 0.084,1139 4.256,1140 1.425,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.202,1146 4.07,1147 3.964,1148 4.008,1149 3.896,1150 3.883,1151 8.19,1152 3.88,1153 3.845,1154 3.913,1155 3.792,1156 3.653,1157 5.135,1158 3.665,1159 3.814,1160 3.883,1161 3.725,1162 3.579,1163 4.925,1164 3.616,1165 3.573,1166 3.639,1167 3.463,1168 3.4,1169 4.651,1170 3.405,1171 3.435,1172 3.503,1173 3.294,1174 3.29,1175 4.366,1176 3.282,1177 3.273,1178 3.342,1179 3.17,1180 3.098,1181 4.252,1182 3.105,1183 3.111,1184 3.206,1185 2.878,1186 2.941,1187 4.039,1188 2.91,1189 0.12,1190 0.085,1191 0.173,1192 0.108,1193 0.082,1194 4.571,1195 0.119,1196 3.243,1197 0.021,1198 6.572,1199 0.275,1200 4.106,1201 0.081,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.073,1210 2.069,1211 1.374,1212 2.072,1213 1.935,1214 1.905,1215 2.039,1216 2.048,1217 1.271,1218 2.046,1219 1.793,1220 1.727,1221 1.975,1222 1.979,1223 1.2,1224 1.983,1225 1.645,1226 1.59,1227 1.829,1228 1.829,1229 1.066,1230 1.832,1231 1.482,1232 1.417,1233 1.734,1234 1.686,1235 0.887,1236 1.695,1237 1.398,1238 1.328,1239 1.561,1240 1.639,1241 0.825,1242 1.628,1243 1.281,1244 1.213,1245 1.513,1246 1.5,1247 0.711,1248 1.504,1249 1.153,1250 1.064,1251 1.476,1252 1.442,1253 0.58,1254 1.429,1255 4.344,1257 5.666,1258 3.045,1259 7.166,1260 5.283,1261 8.747,1262 7.286,1263 10.371,1265 2.134,1267 28.61,1271 5.21,1275 -0.67,1276 4.608,1280 39.743,1281 97.072,1282 226.909,1283 298.574,1284 335.245,1285 339.245,1286 347.245,1287 62.404,1288 8.281,1289 52.98,1290 52.98,1291 28,1292 12.699,1293 4.459,1294 3.524,1295 50.429,1296 185,1297 160,1298 0.13,1299 240.02,1300 407.34,1301 577.409,1302 56617,1303 3.1,1304 23.493,1305 0.691,1306 0.57,1307 21.753,1308 19.37,1309 16.547,1310 0.435,1311 0.312,1312 11.651,1313 15.801,1314 11.411,1315 9.383,1316 15.759,1317 11.842,1318 15.087,1319 0.285,1320 0.175,1321 13.808,1322 9.272,1323 12.563,1324 0.182,1325 0.098,1326 11.982,1327 6.78,1328 10.631,1329 0.118,1330 0.054,1331 9.941,1332 4.874,1333 8.162,1334 0.076,1335 0.032,1336 7.584,1337 3.376,1338 0.213,1339 104.267,1340 0.196,1341 32.28,1342 0.334,1343 182,1344 568.781,1345 200.846,1346 502.496,1347 677.64,1348 472,1349 213,1350 489.809,1351 232.267,1352 487.379,1353 708.07,1354 458,1355 8.721} {0 CHEMBL65367,1 1.373,2 14.133,3 3.662,4 13.408,5 123.551,6 6.907,7 0.618,8 4.158,9 4.299,10 3.686,11 3.69,12 5.147,13 3.657,14 4.72,15 4.923,16 4.005,17 4.11,18 5.603,19 4.047,20 4.969,21 5.209,22 3.957,23 4.261,24 5.732,25 4.132,26 5.074,27 5.346,28 3.869,29 4.261,30 5.774,31 4.095,32 5.055,33 5.352,34 3.809,35 4.175,36 5.73,37 4.009,38 4.926,39 5.203,40 3.777,41 4.097,42 5.644,43 3.95,44 4.883,45 5.164,46 3.709,47 4.025,48 5.616,49 3.872,50 4.794,51 5.083,52 3.518,53 3.907,54 5.497,55 3.741,56 0.08,57 0.921,58 13.152,59 5.025,60 11.399,61 7.311,62 0.263,63 1.501,64 24.566,65 8.224,66 19.419,67 12.353,68 0.257,69 1.753,70 32.097,71 11.936,72 22.665,73 17.644,74 0.232,75 1.821,76 36.37,77 13.663,78 26.777,79 20.371,80 0.301,81 1.74,82 36.533,83 12.885,84 28.654,85 19.548,86 0.264,87 1.587,88 31.661,89 11.122,90 24.116,91 16.834,92 0.275,93 1.514,94 30.467,95 10.567,96 25.922,97 16.048,98 0.28,99 1.36,100 28.122,101 9.301,102 24.113,103 14.292,105 46,106 0.222,107 0.542,108 0.714,109 0.801,110 0.831,111 0.831,112 3.44,113 0.952,114 -4.93,115 -4.84,116 -4.54,119 41.4,121 2,125 6,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 4,176 3,178 11,181 1,182 5,186 3,189 8,193 8,197 1,199 3,203 9,206 1,211 2,215 7,218 1,222 1,226 6,229 2,233 1,236 1,237 5,244 3,249 1,252 1,256 5,259 1518,260 21.085,261 21.085,262 21.085,263 21.085,264 21.085,265 18.646,266 24.198,267 12.752,268 21.536,269 16.852,270 16.852,271 16.852,272 16.852,273 16.852,274 13.28,275 28.599,276 6.123,277 17.581,278 4.485,279 2.511,280 1.448,281 0.91,282 0.724,283 0.724,284 4.156,288 1,289 1,290 956,291 2.828,294 156.712,295 299.286,298 132.918,302 2.209,303 10.708,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 63,315 424,316 4.568,317 3.197,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.06,327 6.095,328 3.691,329 2.754,330 3.731,331 0.8,332 8.884,333 2.597,334 3.941,335 2.884,336 5.616,337 3.67,338 2.724,339 3.457,340 0.172,341 7.788,342 2.577,343 3.608,344 2.754,345 5.332,346 3.431,347 2.473,348 2.813,350 6.951,351 2.353,352 3.43,353 2.344,354 5.129,355 3.063,356 2.109,357 2.638,359 6.017,360 2.022,361 3.251,362 2.178,363 4.953,364 2.964,365 2.007,366 2.588,368 5.851,369 1.901,370 3.172,371 1.795,372 4.514,373 2.73,374 1.776,375 2.243,377 4.655,378 1.69,379 2.828,380 1.524,381 4.133,382 2.424,383 1.429,384 1.933,386 3.482,387 1.421,388 2.74,389 1.365,390 3.598,391 2.304,392 1.321,393 1.843,395 3.046,396 1.298,397 2.5,398 1.159,399 3.464,400 2.084,401 1.12,402 1.5,404 2.526,405 1.077,406 2.426,407 1.146,408 3.414,409 2,410 1,411 1.4,413 2.275,414 1,415 2.256,416 1,417 3.316,418 1.967,419 1,420 1.196,422 2.136,423 0.965,424 2.118,425 0.933,426 3.247,427 1.86,428 0.895,429 1,431 2.097,432 0.862,433 2,434 0.674,435 3.176,436 1.562,437 0.618,438 0.927,440 1.469,441 0.578,442 1.986,443 0.618,444 3,445 1.518,446 0.605,447 0.823,449 1.372,450 0.556,451 14.4,452 0.48,453 0.496,454 0.017,455 38.25,456 1.275,457 18,458 0.6,459 20.25,460 0.675,461 25.075,462 0.836,463 31.8,464 0.548,465 25.467,466 0.849,467 7.57,468 0.252,469 7.278,470 0.243,473 0.257,479 0.901,480 1.431,481 0.843,482 1.133,483 0.648,484 1.008,485 1.372,486 1.029,487 1.042,488 0.929,489 0.865,490 0.946,491 0.971,492 1.027,493 1.097,494 1.101,495 0.771,496 1.11,497 0.736,498 1.071,499 1,500 1.123,501 0.711,502 1.095,503 0.796,504 0.909,505 0.886,506 0.928,507 0.792,508 0.918,509 0.903,510 0.997,511 0.967,512 1.003,513 0.824,514 0.994,515 0.859,516 1.037,517 0.972,518 1.043,519 0.844,520 1.024,521 1.136,522 0.923,523 1.077,524 0.977,525 1.241,526 1.013,527 4.5,528 0.095,529 2.667,530 1.069,531 0.997,532 0.597,533 0.483,534 0.242,535 0.139,536 0.124,537 15246,538 33032,539 2.228,540 48.3,541 2,542 20,543 1,544 2,545 1,547 2,550 1.72,551 2.195,552 3.767,553 -0.382,555 1,559 79.608,560 1.373,561 3.347,562 4.41,563 4.948,564 5.134,565 5.134,566 3.248,567 4.374,568 4.879,569 3.964,570 1724.35,571 8.465,572 25725.5,574 1,577 339.763,578 0.837,579 4.881,580 0.132,581 0.004,582 0.058,583 0.025,584 0.027,585 0.017,586 0.014,587 0.008,588 0.006,589 0.005,590 0.297,591 0.33,592 0.88,594 158.756,595 0.137,596 -0.213,597 0.093,598 -0.082,599 0.257,600 -0.014,601 -0.112,602 0.124,603 -0.063,604 0.051,605 0.012,606 0.008,607 -0.091,608 -0.008,609 -0.138,610 -0.085,611 -0.021,612 -0.111,613 0.006,614 -0.141,615 -0.037,616 -0.106,617 0.061,618 -0.081,619 0.063,620 -0.005,621 0.1,622 0.057,623 0.076,624 0.078,625 0.016,626 -0.047,627 0.015,628 -0.017,629 0.034,630 -0.004,631 0.093,632 -0.092,633 0.015,634 -0.066,635 0.061,636 -0.039,637 -0.089,638 0.025,639 -0.079,640 -0.021,641 -0.206,642 -0.044,643 0.567,644 0.917,645 0.867,646 34.88,647 0.988,648 1.13,649 3.703,650 13.715,651 0.662,652 3.555,653 3.85,654 4.127,655 4.382,656 4.554,657 4.615,658 4.762,659 4.89,660 4.927,661 4.97,662 8.274,663 0.619,664 400.58,665 3.555,666 5.081,667 5.927,668 6.788,669 7.646,670 8.513,671 9.378,672 10.248,673 11.117,674 11.99,675 10.3,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 58,716 21,717 2,718 34,720 62,721 24,722 16,723 4,724 8,730 5,731 6,743 2,745 16,746 8,761 1,764 28,765 4,766 1,767 6,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,827 30,833 8,838 2,844 1,854 13.667,855 10.167,856 6.583,857 3.616,858 3.588,859 1.445,860 1.029,861 5.822,862 11.66,863 3.818,864 4.394,865 4.989,866 5.577,867 6.013,868 6.337,869 6.786,870 7.212,871 7.398,872 7.614,873 1,874 42,875 11.076,877 4.649,878 7.394,879 22.092,881 18.564,883 1.894,884 56.833,887 1,888 317.82,889 133.643,890 58.259,895 133.643,896 317.82,897 58.259,899 17.703,900 84.857,901 74.105,902 36.634,903 13.915,904 282.506,906 317.82,907 191.902,911 294.278,912 23.542,915 59.874,916 98.702,917 33.326,919 317.82,920 58.259,921 133.643,924 317.82,925 31.548,926 110.242,927 16.786,928 33.326,929 317.82,930 58.259,931 133.643,933 0.571,934 0.332,935 0.182,936 0.093,937 23,938 8,939 0.113,940 7,941 1,942 1.077,943 4.495,944 260.457,945 0.077,946 26,947 135.207,951 19.347,952 9.028,953 4.606,954 2.491,955 39.575,956 22.912,957 7.83,958 3.417,961 3.904,962 1.95,963 16.786,964 509.722,965 44.5,975 57.33,976 65.557,977 0.234,978 0.571,979 0.753,980 0.845,981 0.876,982 0.876,983 5.032,984 1.429,985 5.872,986 4.655,987 4.533,988 5.081,989 1.242,990 6.632,991 4.452,992 6.2,993 1.321,994 7.388,995 3.482,996 3.892,997 4.677,998 0.57,999 7.402,1000 3.759,1001 7.478,1002 1.12,1003 9.004,1004 3.046,1005 6.071,1006 7.251,1007 0.883,1008 10.5,1009 5.913,1010 8.794,1011 1,1012 10.682,1013 2.526,1014 6.33,1015 7.822,1016 0.581,1017 12.163,1018 6.125,1019 10.149,1020 1,1021 12.402,1022 2.275,1023 7.884,1024 9.764,1025 0.68,1026 14.735,1027 7.66,1028 11.531,1029 0.895,1030 14.151,1031 2.136,1032 8.569,1033 10.807,1034 0.515,1035 16.77,1036 8.311,1037 12.935,1038 0.618,1039 15.922,1040 2.097,1041 9.86,1042 12.487,1043 0.541,1044 19.17,1045 9.584,1046 3.118,1047 0.605,1048 17.71,1049 1.469,1050 10.757,1051 13.766,1052 0.441,1053 21.369,1054 10.457,1055 2.754,1056 10.431,1057 19.51,1058 1.372,1059 11.935,1060 15.335,1061 0.438,1062 23.714,1063 11.619,1064 2.724,1065 8.884,1066 21.321,1067 4.518,1068 12.939,1069 16.729,1070 0.373,1071 25.985,1072 12.606,1073 2.473,1074 7.788,1075 23.141,1076 3.731,1077 14.072,1078 18.253,1079 0.358,1080 28.316,1081 13.724,1082 2.109,1083 6.951,1084 24.968,1085 3.457,1086 15.129,1087 19.703,1088 0.314,1089 30.62,1090 14.768,1091 2.007,1092 6.017,1093 26.802,1094 2.813,1095 16.246,1096 21.211,1097 0.296,1098 32.95,1099 15.872,1100 1.776,1101 5.851,1102 28.641,1103 2.638,1104 17.332,1105 22.689,1106 0.264,1107 35.27,1108 16.947,1109 13806,1110 20511,1111 24.038,1112 38.41,1113 50.69,1114 50.101,1115 50.24,1116 50.304,1117 50.305,1118 65.67,1119 3.778,1120 138.967,1121 48.31,1122 5.568,1123 5.197,1124 6.367,1125 5.166,1126 5.118,1127 7.518,1128 1.605,1129 17.095,1130 5.062,1132 1.491,1133 1.474,1134 1.478,1135 1.48,1136 1.48,1137 1.931,1138 0.111,1139 4.087,1140 1.421,1141 4.154,1142 4.192,1143 4.113,1144 4.062,1145 5.135,1146 4.069,1147 3.945,1148 3.995,1149 3.862,1150 3.861,1151 4.927,1152 3.855,1153 3.833,1154 3.907,1155 3.789,1156 3.636,1157 4.755,1158 3.648,1159 3.79,1160 3.853,1161 3.684,1162 3.573,1163 4.365,1164 3.606,1165 3.519,1166 3.59,1167 3.375,1168 3.364,1169 4.255,1170 3.361,1171 3.291,1172 3.359,1173 3.186,1174 3.124,1175 3.99,1176 3.129,1177 3.148,1178 3.233,1179 2.995,1180 2.978,1181 3.796,1182 2.969,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.674,1188 2.91,1189 0.134,1190 0.094,1191 0.193,1192 0.121,1193 0.092,1194 4.568,1195 0.133,1196 3.197,1197 0.027,1198 6.566,1199 0.307,1200 4.099,1201 0.09,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.07,1210 2.066,1211 1.367,1212 2.07,1213 1.922,1214 1.888,1215 2.041,1216 2.045,1217 1.258,1218 2.044,1219 1.781,1220 1.716,1221 1.973,1222 1.949,1223 1.139,1224 1.964,1225 1.638,1226 1.578,1227 1.847,1228 1.815,1229 1.075,1230 1.829,1231 1.406,1232 1.334,1233 1.585,1234 1.664,1235 0.825,1236 1.643,1237 1.321,1238 1.253,1239 1.513,1240 1.529,1241 0.744,1242 1.531,1243 1.153,1244 1.064,1245 1.491,1246 1.442,1247 0.624,1248 1.429,1249 1.134,1250 1.061,1251 1.417,1252 1.376,1253 0.578,1254 1.379,1255 4.234,1257 5.533,1258 3.045,1259 7.02,1260 5.283,1261 8.591,1262 7.286,1263 10.206,1271 9.152,1276 5.177,1280 35.923,1281 79.608,1282 194.1,1283 255.789,1284 287.008,1285 297.763,1286 297.763,1287 33.054,1288 8.072,1289 52.98,1290 52.98,1291 28,1292 12.532,1293 4.459,1294 3.524,1295 42.015,1296 152,1297 142,1298 0.132,1299 218.439,1300 360.6,1301 524.751,1302 43698,1304 20.175,1305 0.673,1306 0.575,1307 20.175,1308 17.244,1309 14.848,1310 0.437,1311 0.317,1312 10.65,1313 14.334,1314 10.441,1315 8.625,1316 14.848,1317 10.787,1318 12.936,1319 0.281,1320 0.177,1321 12.936,1322 8.12,1323 11.214,1324 0.184,1325 0.1,1326 11.214,1327 6.102,1328 9.414,1329 0.119,1330 0.055,1331 9.414,1332 4.374,1333 7.272,1334 0.077,1335 0.033,1336 7.272,1337 3.062,1338 0.217,1339 92.345,1340 0.204,1341 29.237,1342 0.337,1343 160,1344 372.558,1345 171.185,1346 371.068,1347 525.07,1348 352,1349 187,1350 401.476,1351 200.183,1352 410.357,1353 594.16,1354 386,1355 9.699} {0 CHEMBL65765,1 1.508,2 14.25,3 4.46,4 19.892,5 124.394,6 7.383,7 0.583,8 4.181,9 4.312,10 3.749,11 3.724,12 5.239,13 3.701,14 4.755,15 4.94,16 4.128,17 4.155,18 5.785,19 4.112,20 5.059,21 5.288,22 4.103,23 4.304,24 6.051,25 4.207,26 5.139,27 5.402,28 4.026,29 4.297,30 6.055,31 4.162,32 5.105,33 5.389,34 3.944,35 4.211,36 5.962,37 4.074,38 4.993,39 5.259,40 3.961,41 4.127,42 6.026,43 4.013,44 4.943,45 5.212,46 3.831,47 4.044,48 5.873,49 3.926,50 4.845,51 5.125,52 3.624,53 3.93,54 5.743,55 3.792,56 0.044,57 1.046,58 12.199,59 5.472,60 11.322,61 7.215,62 0.199,63 1.757,64 23.91,65 9.432,66 23.836,67 12.603,68 0.416,69 2.204,70 35.74,71 13.494,72 62.779,73 17.578,74 0.441,75 2.172,76 39.982,77 14.82,78 64.913,79 20.512,80 0.438,81 2.009,82 39.758,83 14.029,84 66.112,85 19.747,86 0.55,87 1.993,88 34.989,89 12.151,90 88.546,91 16.991,92 0.45,93 1.786,94 33.54,95 11.346,96 62.833,97 15.622,98 0.526,99 1.557,100 30.823,101 9.878,102 59.246,103 13.969,104 5,105 51,106 0.243,107 0.581,108 0.754,109 0.841,110 0.856,111 0.856,112 3.502,113 0.932,114 -6.39,115 -6.22,116 -5.77,119 42.4,121 5,125 3,129 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 5,176 3,178 14,182 3,186 3,189 10,193 7,197 1,199 10,203 7,206 1,211 6,215 6,218 1,222 6,226 4,229 2,233 4,236 1,237 4,242 2,244 6,256 7,259 1750,260 21.878,261 21.878,262 21.878,263 21.878,264 21.878,265 19.414,266 24.416,267 12.864,268 22.34,269 17.797,270 17.797,271 17.797,272 17.797,273 17.797,274 14.158,275 24.896,276 6.136,277 18.603,278 4.374,279 2.278,280 1.211,281 0.67,282 0.576,283 0.576,284 4.211,288 1,289 1,290 1018,291 3.317,294 170.97,295 323.603,298 145.63,302 2.203,303 32.077,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 69.5,315 456,316 4.568,317 3.722,318 6.998,319 4.25,320 3.304,321 4.518,322 0.8,323 11.917,324 3.11,325 4.334,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,332 10.431,333 3.062,334 4.129,335 2.961,336 6.095,337 3.689,338 2.753,339 3.68,341 8.884,342 2.578,343 3.97,344 2.885,345 5.479,346 3.567,347 2.598,348 3.245,350 7.343,351 2.513,352 3.46,353 2.762,354 5.301,355 3.319,356 2.399,357 2.812,359 6.849,360 2.205,361 3.385,362 2.359,363 5.126,364 3.01,365 2.031,366 2.594,368 6,369 1.981,370 3.248,371 2.183,372 4.735,373 2.844,374 1.894,375 2.505,377 5.215,378 1.78,379 3.218,380 1.795,381 4.514,382 2.73,383 1.776,384 2.363,386 4.655,387 1.69,388 2.743,389 1.377,390 4.134,391 2.321,392 1.335,393 1.848,395 3.484,396 1.315,397 2.662,398 1.278,399 3.802,400 2.182,401 1.192,402 1.736,404 2.615,405 1.176,406 2.43,407 1.178,408 3.567,409 2.099,410 1.134,411 1.406,413 2.553,414 1.092,415 2.267,416 1.077,417 3.474,418 1.984,419 1,420 1.21,422 2.372,423 0.983,424 2.118,425 0.944,426 3.377,427 1.864,428 0.899,429 1,431 2.104,432 0.865,433 2,434 0.7,435 3.301,436 1.571,437 0.618,438 0.927,440 1.492,441 0.586,442 1.997,443 0.618,444 3.165,445 1.518,446 0.614,447 0.834,449 1.372,450 0.556,451 15.071,452 0.471,453 0.766,454 0.024,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 29.747,462 0.93,463 34.729,464 0.589,465 27.798,466 0.869,467 7.496,468 0.234,469 8.082,470 0.253,471 0.038,472 0.033,473 0.252,474 1,477 1,479 0.586,480 1.118,481 0.749,482 1.087,483 0.501,484 0.98,485 0.795,486 1.036,487 0.889,488 1.023,489 0.636,490 0.98,491 1.22,492 1.101,493 1.153,494 1.099,495 1.242,496 1.113,497 0.822,498 0.971,499 0.993,500 1.086,501 0.847,502 1.084,503 0.823,504 0.898,505 0.906,506 0.952,507 0.844,508 0.95,509 0.788,510 0.947,511 0.918,512 1.002,513 0.741,514 0.99,515 1.095,516 1.023,517 1.065,518 1.024,519 1.125,520 1.037,521 1.075,522 0.823,523 1.158,524 0.931,525 1.068,526 1.028,527 7,528 0.164,529 3.556,530 1.819,531 1.459,532 0.889,533 0.646,534 0.289,535 0.233,536 0.204,537 17492,538 46240,539 2.166,540 45.8,541 2,542 13,543 1,544 2,545 1,547 4,548 4,550 1.738,551 2.076,552 3.784,553 -0.372,555 1,559 88.988,560 1.508,561 3.605,562 4.672,563 5.213,564 5.306,565 5.306,566 3.23,567 4.5,568 4.974,569 3.995,570 1981.28,571 8.657,572 30845.9,574 1,577 347.076,578 1.305,579 4.947,580 0.194,581 0.006,582 0.07,583 0.039,584 0.035,585 0.023,586 0.017,587 0.009,588 0.009,589 0.008,590 0.408,591 0.33,592 0.75,593 0.406,594 172.405,595 0.02,596 -0.089,597 0.063,598 -0.033,600 0.009,601 -0.024,602 -0.027,603 -0.004,604 -0.015,605 0.028,606 -0.007,607 -0.15,608 -0.023,609 -0.184,610 -0.073,611 -0.106,612 -0.121,613 0.009,614 -0.064,615 -0.027,616 -0.078,617 0.007,618 -0.066,619 -0.002,620 -0.037,621 0.081,622 0.033,623 -0.021,624 0.065,625 0.125,626 -0.021,627 0.069,628 -0.021,629 0.16,630 0.006,631 -0.067,632 -0.052,633 -0.059,634 -0.053,635 -0.098,636 -0.056,637 -0.085,638 0.111,639 -0.151,640 0.016,641 -0.119,642 -0.059,643 2.486,644 7.274,645 0.813,646 36.711,647 1.002,648 1.138,649 5.155,650 26.577,651 0.662,652 3.611,653 3.951,654 4.205,655 4.466,656 4.644,657 4.727,658 4.82,659 4.956,660 4.997,661 5.05,662 8.491,663 0.63,664 435.57,665 3.611,666 5.165,667 6.014,668 6.897,669 7.759,670 8.645,671 9.514,672 10.401,673 11.273,674 12.162,675 8.5,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 59,716 21,717 2,718 36,720 63,721 25,722 16,723 5,724 7,730 5,731 6,740 2,741 1,743 5,745 16,746 9,747 1,748 1,761 1,762 2,764 27,765 5,766 1,767 7,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 2,827 32,833 8,838 1,839 1,844 1,846 2,854 15.417,855 10.419,856 6.875,857 3.707,858 3.601,859 1.439,860 1.022,861 5.969,862 11.81,863 3.861,864 4.466,865 5.039,866 5.629,867 6.062,868 6.401,869 6.811,870 7.238,871 7.413,872 7.63,873 1,874 47,875 11.947,877 5.25,878 7.742,879 23.054,881 19.709,883 2.242,884 71.75,887 1,888 306.049,889 134.574,890 55.135,893 29.92,895 134.574,896 306.049,897 85.055,899 18.99,900 75.381,901 74.105,902 42.631,903 43.835,904 270.735,906 306.049,907 189.709,908 29.92,911 241.8,912 94.169,915 58.036,916 98.347,917 33.326,919 335.969,920 55.135,921 134.574,924 306.049,925 41.956,926 97.642,927 16.786,928 63.246,929 306.049,930 85.055,931 134.574,933 0.586,934 0.335,935 0.179,936 0.093,937 26,938 10,939 0.111,940 7,941 1,942 1.077,943 4.545,944 288.318,945 0.077,946 26,947 152,951 21.148,952 9.032,953 4.886,954 2.335,955 66.371,956 18.092,957 7.767,958 3.357,961 2.774,962 1.9,963 16.786,964 525.678,965 46.5,975 59.138,976 67.153,977 0.256,978 0.613,979 0.794,980 0.886,981 0.902,982 0.902,983 5.107,984 1.776,985 6.014,986 5.215,987 4.635,988 5.153,989 0.673,990 6.836,991 4.549,992 6.313,993 1.335,994 7.579,995 4.655,996 4.29,997 4.934,998 0.325,999 7.949,1000 4.117,1001 7.626,1002 1.192,1003 9.252,1004 3.484,1005 6.282,1006 7.352,1007 0.379,1008 10.954,1009 6.112,1010 8.974,1011 1.134,1012 10.991,1013 2.615,1014 6.781,1015 8.001,1016 0.268,1017 12.915,1018 6.525,1019 10.356,1020 1,1021 12.776,1022 2.553,1023 8.239,1024 9.868,1025 0.239,1026 15.495,1027 7.979,1028 11.76,1029 0.899,1030 14.592,1031 2.372,1032 9.107,1033 10.935,1034 0.188,1035 17.765,1036 8.773,1037 13.182,1038 0.618,1039 16.431,1040 2.104,1041 10.371,1042 12.578,1043 0.156,1044 20.238,1045 10.018,1046 3.304,1047 0.614,1048 18.288,1049 1.492,1050 11.403,1051 13.858,1052 0.125,1053 22.622,1054 10.989,1055 3.118,1056 11.917,1057 20.158,1058 1.372,1059 12.598,1060 15.406,1061 0.102,1062 25.072,1063 12.152,1064 2.753,1065 10.431,1066 22.038,1067 4.518,1068 13.704,1069 16.794,1070 0.082,1071 27.499,1072 13.204,1073 2.598,1074 8.884,1075 23.928,1076 3.731,1077 14.877,1078 18.306,1079 0.066,1080 29.95,1081 14.338,1082 2.399,1083 7.343,1084 25.824,1085 3.68,1086 16.018,1087 19.749,1088 0.054,1089 32.396,1090 15.427,1091 2.031,1092 6.849,1093 27.726,1094 3.245,1095 17.186,1096 21.249,1097 0.043,1098 34.852,1099 16.551,1100 1.894,1101 6,1102 29.632,1103 2.812,1104 18.344,1105 22.721,1106 0.035,1107 37.308,1108 17.658,1109 16003,1110 26165,1111 24.731,1112 39.04,1113 54.432,1114 53.862,1115 54.601,1116 53.963,1117 53.819,1118 69.353,1119 1.6,1120 155.815,1121 51.459,1122 5.568,1123 5.722,1124 6.595,1125 5.31,1126 5.304,1127 7.518,1128 1.2,1129 18.581,1130 5.11,1131 10.927,1132 1.512,1133 1.496,1134 1.517,1135 1.499,1136 1.495,1137 1.926,1138 0.044,1139 4.328,1140 1.429,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 8.202,1146 4.07,1147 3.975,1148 4.016,1149 3.907,1150 3.888,1151 8.188,1152 3.886,1153 3.836,1154 3.907,1155 3.789,1156 3.684,1157 5.135,1158 3.686,1159 3.808,1160 3.863,1161 3.724,1162 3.585,1163 4.927,1164 3.622,1165 3.543,1166 3.608,1167 3.41,1168 3.395,1169 4.636,1170 3.392,1171 3.309,1172 3.372,1173 3.214,1174 3.148,1175 4.299,1176 3.154,1177 3.171,1178 3.251,1179 3.031,1180 2.992,1181 4.244,1182 2.988,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.921,1188 2.91,1189 0.127,1190 0.103,1191 0.194,1192 0.118,1193 0.092,1194 4.568,1195 0.125,1196 3.722,1197 0.022,1198 6.998,1199 0.331,1200 4.25,1201 0.086,1202 3.304,1203 4.518,1204 0.8,1205 11.917,1206 3.11,1207 1.962,1208 1.937,1209 2.089,1210 2.076,1211 1.439,1212 2.083,1213 1.942,1214 1.91,1215 2.04,1216 2.048,1217 1.284,1218 2.046,1219 1.801,1220 1.749,1221 1.965,1222 1.951,1223 1.14,1224 1.959,1225 1.658,1226 1.605,1227 1.86,1228 1.821,1229 1.074,1230 1.836,1231 1.411,1232 1.34,1233 1.593,1234 1.667,1235 0.825,1236 1.646,1237 1.341,1238 1.28,1239 1.513,1240 1.542,1241 0.771,1242 1.541,1243 1.153,1244 1.074,1245 1.497,1246 1.442,1247 0.633,1248 1.429,1249 1.146,1250 1.064,1251 1.42,1252 1.376,1253 0.577,1254 1.387,1255 4.29,1257 5.624,1258 3.045,1259 7.14,1260 5.283,1261 8.738,1262 7.286,1263 10.381,1267 28.689,1271 5.725,1276 2.348,1277 -1.236,1280 37.195,1281 88.988,1282 212.695,1283 275.65,1284 307.566,1285 313.076,1286 313.076,1287 60.324,1288 8.209,1289 49.74,1290 49.74,1291 28,1292 12.695,1293 4.459,1294 3.524,1295 46.139,1296 168,1297 138,1298 0.132,1299 223.633,1300 379.04,1301 537.425,1302 51199,1303 3.4,1304 21.968,1305 0.687,1306 0.562,1307 20.175,1308 17.975,1309 15.578,1310 0.433,1311 0.311,1312 11.032,1313 14.944,1314 10.841,1315 8.889,1316 14.848,1317 11.188,1318 14.406,1319 0.282,1320 0.173,1321 12.936,1322 8.816,1323 11.995,1324 0.182,1325 0.099,1326 11.214,1327 6.55,1328 10.074,1329 0.117,1330 0.055,1331 9.414,1332 4.728,1333 7.709,1334 0.075,1335 0.033,1336 7.272,1337 3.364,1338 0.217,1339 97.727,1340 0.201,1341 30.692,1342 0.339,1343 174,1344 541.136,1345 191.929,1346 478.609,1347 646.3,1348 448,1349 204,1350 474.03,1351 221.448,1352 469.665,1353 681.81,1354 442,1355 9.398} {0 CHEMBL65824,1 1.508,2 14.219,3 4.46,4 19.892,5 124.394,6 7.383,7 0.583,8 4.181,9 4.312,10 3.749,11 3.724,12 5.24,13 3.701,14 4.755,15 4.94,16 4.128,17 4.155,18 5.777,19 4.112,20 5.059,21 5.288,22 4.125,23 4.303,24 6.062,25 4.212,26 5.147,27 5.408,28 4.033,29 4.296,30 6.094,31 4.167,32 5.107,33 5.389,34 4.012,35 4.21,36 6.096,37 4.081,38 5.001,39 5.265,40 3.925,41 4.125,42 5.956,43 4.016,44 4.94,45 5.21,46 3.804,47 4.046,48 5.857,49 3.917,50 4.829,51 5.114,52 3.603,53 3.931,54 5.634,55 3.785,56 0.044,57 1.046,58 12.199,59 5.472,60 11.424,61 7.215,62 0.199,63 1.757,64 23.91,65 9.432,66 22.09,67 12.603,68 0.393,69 2.228,70 35.676,71 13.497,72 61.032,73 17.577,74 0.512,75 2.243,76 40.678,77 14.872,78 76.186,79 20.125,80 0.569,81 2.148,82 39.886,83 14.037,84 94.983,85 19.869,86 0.467,87 1.949,88 35.494,89 12.2,90 68.026,91 16.481,92 0.51,93 1.744,94 33.444,95 11.306,96 63.622,97 15.837,98 0.37,99 1.458,100 29.824,101 9.826,102 42.721,103 14.399,104 5,105 51,106 0.243,107 0.581,108 0.748,109 0.835,110 0.856,111 0.856,112 3.502,113 0.933,114 -6.39,115 -6.22,116 -5.77,119 42.4,121 5,125 3,129 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 5,176 3,178 13,182 3,186 3,189 11,193 7,197 1,199 8,203 7,206 1,211 8,215 5,218 1,222 6,226 5,229 2,233 4,236 1,237 4,242 2,244 5,256 7,259 1732,260 21.93,261 21.93,262 21.93,263 21.93,264 21.93,265 19.438,266 23.066,267 12.889,268 22.381,269 17.775,270 17.775,271 17.775,272 17.775,273 17.775,274 14.132,275 23.146,276 6.12,277 18.569,278 4.374,279 2.278,280 1.245,281 0.704,282 0.576,283 0.576,284 4.211,288 1,289 1,290 1016,291 3.317,294 170.202,295 322.26,298 144.899,302 2.17,303 33.021,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 69.5,315 455,316 4.568,317 3.73,318 7.006,319 4.259,320 3.312,321 4.518,322 0.8,323 11.945,324 3.121,325 4.365,326 3.196,327 6.566,328 4.099,329 3.118,330 3.802,332 10.431,333 3.062,334 4.129,335 3.117,336 6.095,337 3.69,338 2.753,339 3.731,341 8.884,342 2.603,343 4.045,344 2.885,345 5.983,346 3.679,347 2.718,348 3.23,350 8.405,351 2.577,352 3.456,353 2.758,354 5.308,355 3.317,356 2.398,357 2.812,359 6.865,360 2.203,361 3.375,362 2.184,363 5.126,364 3.008,365 2.03,366 2.593,368 6,369 1.98,370 3.246,371 1.919,372 4.514,373 2.73,374 1.776,375 2.4,377 4.655,378 1.691,379 2.883,380 1.795,381 4.224,382 2.445,383 1.454,384 2.052,386 3.784,387 1.442,388 2.822,389 1.505,390 4.133,391 2.376,392 1.414,393 1.944,395 3.483,396 1.342,397 2.743,398 1.376,399 3.802,400 2.317,401 1.332,402 1.848,404 2.974,405 1.31,406 2.43,407 1.178,408 3.621,409 2.1,410 1.135,411 1.406,413 2.562,414 1.092,415 2.267,416 1.077,417 3.511,418 1.984,419 1,420 1.21,422 2.372,423 0.983,424 2.118,425 0.944,426 3.372,427 1.864,428 0.899,429 1,431 2.104,432 0.865,433 2,434 0.7,435 3.298,436 1.572,437 0.618,438 0.927,440 1.493,441 0.587,442 1.997,443 0.618,444 3.164,445 1.518,446 0.615,447 0.835,449 1.372,450 0.556,451 15.071,452 0.471,453 0.749,454 0.023,455 39,456 1.219,457 18,458 0.563,459 21,460 0.656,461 29.875,462 0.934,463 34.729,464 0.589,465 27.879,466 0.871,467 7.512,468 0.235,469 8.083,470 0.253,471 0.038,472 0.033,473 0.252,474 1,477 1,479 0.586,480 1.118,481 0.749,482 1.087,483 0.5,484 0.98,485 0.795,486 1.036,487 0.889,488 1.023,489 0.65,490 0.98,491 1.203,492 1.126,493 1.118,494 1.101,495 1.217,496 1.099,497 1.032,498 1.026,499 1.071,500 1.086,501 1.114,502 1.094,503 0.663,504 0.884,505 0.821,506 0.954,507 0.641,508 0.93,509 1.198,510 1.054,511 1.068,512 1.002,513 1.235,514 1.01,515 0.974,516 0.934,517 1.065,518 1.019,519 1.025,520 1.055,521 0.751,522 0.766,523 1.025,524 0.932,525 0.622,526 1.003,527 6.5,528 0.148,529 4,530 1.694,531 1.699,532 0.833,533 0.584,534 0.333,535 0.213,536 0.204,537 17376,538 45552,539 2.166,540 45.8,541 2,542 13,543 1,544 2,545 1,547 4,548 4,550 1.738,551 2.076,552 3.769,553 -0.372,555 1,559 88.988,560 1.508,561 3.605,562 4.638,563 5.179,564 5.306,565 5.306,566 3.219,567 4.5,568 4.974,569 3.979,570 1973.7,571 8.659,572 30634.4,574 1,577 347.076,578 1.305,579 4.947,580 0.181,581 0.006,582 0.078,583 0.035,584 0.04,585 0.02,586 0.015,587 0.01,588 0.008,589 0.008,590 0.402,591 0.33,592 0.75,593 0.406,594 172.195,595 0.02,596 -0.089,597 0.063,598 -0.033,599 0.001,600 0.009,601 -0.024,602 -0.027,603 -0.004,604 -0.015,605 0.014,606 -0.007,607 -0.132,608 -0.048,609 -0.149,610 -0.076,611 -0.08,612 -0.106,613 -0.041,614 -0.041,615 -0.082,616 -0.074,617 -0.057,618 -0.086,619 0.161,620 -0.022,621 0.168,622 0.031,623 0.185,624 0.086,625 -0.101,626 -0.038,627 -0.058,628 -0.017,629 -0.099,630 -0.026,631 -0.011,632 0.006,633 -0.068,634 -0.049,635 -0.08,636 -0.07,637 -0.054,638 0.026,639 -0.058,640 0.008,641 -0.044,642 -0.016,643 2.561,644 7.278,645 0.813,646 36.078,647 1.002,648 1.138,649 5.155,650 26.577,651 0.662,652 3.611,653 3.951,654 4.22,655 4.466,656 4.663,657 4.71,658 4.82,659 4.956,660 5.004,661 5.037,662 8.425,663 0.63,664 435.57,665 3.611,666 5.165,667 6.019,668 6.901,669 7.769,670 8.654,671 9.528,672 10.414,673 11.292,674 12.178,675 8.5,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 59,716 21,717 2,718 36,720 63,721 25,722 16,723 5,724 7,730 5,731 6,740 2,741 1,743 5,745 16,746 9,747 1,748 1,761 1,762 2,764 27,765 5,766 1,767 7,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 2,827 32,833 8,838 1,839 1,844 1,846 2,854 15.417,855 10.419,856 6.903,857 3.714,858 3.63,859 1.442,860 1.022,861 5.969,862 11.839,863 3.861,864 4.466,865 5.048,866 5.626,867 6.068,868 6.387,869 6.812,870 7.234,871 7.419,872 7.63,873 1,874 48,875 11.963,877 5.273,878 7.742,879 23.054,881 19.713,883 2.242,884 71.75,887 1,888 306.049,889 134.574,890 55.135,893 29.92,895 134.574,896 306.049,897 85.055,899 18.99,900 75.381,901 74.105,902 42.631,903 43.835,904 270.735,906 306.049,907 189.709,908 29.92,911 241.8,912 94.169,915 58.036,916 98.347,917 33.326,919 335.969,920 55.135,921 134.574,924 306.049,925 41.956,926 97.642,927 16.786,928 63.246,929 306.049,930 85.055,931 134.574,933 0.586,934 0.341,935 0.18,936 0.095,937 26,938 10,939 0.111,940 7,941 1,942 1.077,943 4.53,944 289.345,945 0.077,946 26,947 152,951 21.148,952 9.032,953 4.735,954 2.327,955 66.371,956 18.282,957 7.764,958 3.353,961 2.492,962 1.897,963 16.786,964 525.678,965 46.5,975 59.138,976 67.153,977 0.256,978 0.613,979 0.788,980 0.88,981 0.902,982 0.902,983 5.107,984 1.454,985 6.019,986 4.655,987 4.635,988 5.153,989 0.673,990 6.849,991 4.549,992 6.313,993 1.414,994 7.591,995 3.784,996 4.29,997 4.934,998 0.325,999 7.98,1000 4.117,1001 7.628,1002 1.332,1003 9.273,1004 3.483,1005 6.29,1006 7.358,1007 0.379,1008 10.991,1009 6.118,1010 8.98,1011 1.135,1012 11.022,1013 2.974,1014 6.804,1015 8.023,1016 0.268,1017 12.958,1018 6.545,1019 10.366,1020 1,1021 12.816,1022 2.562,1023 8.261,1024 9.887,1025 0.239,1026 15.539,1027 7.998,1028 11.776,1029 0.899,1030 14.639,1031 2.372,1032 9.14,1033 10.968,1034 0.188,1035 17.806,1036 8.804,1037 13.203,1038 0.618,1039 16.484,1040 2.104,1041 10.403,1042 12.606,1043 0.156,1044 20.278,1045 10.047,1046 3.312,1047 0.615,1048 18.344,1049 1.493,1050 11.442,1051 13.893,1052 0.125,1053 22.657,1054 11.024,1055 3.118,1056 11.945,1057 20.216,1058 1.372,1059 12.636,1060 15.438,1061 0.102,1062 25.107,1063 12.187,1064 2.753,1065 10.431,1066 22.097,1067 4.518,1068 13.745,1069 16.828,1070 0.082,1071 27.532,1072 13.242,1073 2.718,1074 8.884,1075 23.986,1076 3.802,1077 14.917,1078 18.337,1079 0.066,1080 29.983,1081 14.376,1082 2.398,1083 8.405,1084 25.88,1085 3.731,1086 16.059,1087 19.779,1088 0.054,1089 32.429,1090 15.467,1091 2.03,1092 6.865,1093 27.78,1094 3.23,1095 17.227,1096 21.277,1097 0.043,1098 34.885,1099 16.591,1100 1.776,1101 6,1102 29.685,1103 2.812,1104 18.386,1105 22.746,1106 0.035,1107 37.342,1108 17.699,1109 15896,1110 25880,1111 24.731,1112 39.04,1113 54.471,1114 54.35,1115 54.78,1116 53.958,1117 53.846,1118 69.404,1119 1.6,1120 156.382,1121 51.496,1122 5.568,1123 5.73,1124 6.693,1125 5.319,1126 5.312,1127 7.518,1128 1.2,1129 18.611,1130 5.121,1131 10.79,1132 1.513,1133 1.51,1134 1.522,1135 1.499,1136 1.496,1137 1.928,1138 0.044,1139 4.344,1140 1.43,1141 4.154,1142 4.192,1143 4.114,1144 4.062,1145 8.201,1146 4.07,1147 3.977,1148 4.017,1149 3.911,1150 3.888,1151 8.187,1152 3.887,1153 3.836,1154 3.907,1155 3.789,1156 3.684,1157 5.135,1158 3.686,1159 3.807,1160 3.863,1161 3.721,1162 3.585,1163 4.927,1164 3.622,1165 3.543,1166 3.608,1167 3.408,1168 3.395,1169 4.645,1170 3.392,1171 3.307,1172 3.371,1173 3.211,1174 3.148,1175 4.301,1176 3.154,1177 3.167,1178 3.249,1179 3.019,1180 2.992,1181 4.245,1182 2.985,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.924,1188 2.91,1189 0.127,1190 0.104,1191 0.195,1192 0.118,1193 0.092,1194 4.568,1195 0.125,1196 3.73,1197 0.022,1198 7.006,1199 0.332,1200 4.259,1201 0.087,1202 3.312,1203 4.518,1204 0.8,1205 11.945,1206 3.121,1207 1.962,1208 1.937,1209 2.087,1210 2.076,1211 1.439,1212 2.082,1213 1.941,1214 1.91,1215 2.039,1216 2.048,1217 1.284,1218 2.046,1219 1.802,1220 1.749,1221 1.967,1222 1.951,1223 1.139,1224 1.959,1225 1.658,1226 1.605,1227 1.861,1228 1.821,1229 1.073,1230 1.836,1231 1.412,1232 1.34,1233 1.594,1234 1.667,1235 0.825,1236 1.646,1237 1.342,1238 1.28,1239 1.513,1240 1.542,1241 0.774,1242 1.541,1243 1.153,1244 1.076,1245 1.5,1246 1.442,1247 0.64,1248 1.429,1249 1.149,1250 1.064,1251 1.426,1252 1.376,1253 0.578,1254 1.389,1255 4.29,1257 5.624,1258 3.045,1259 7.144,1260 5.283,1261 8.748,1262 7.286,1263 10.396,1267 29.199,1271 5.417,1276 2.33,1277 -1.311,1280 37.195,1281 88.988,1282 212.695,1283 273.65,1284 305.566,1285 313.076,1286 313.076,1287 62.015,1288 8.209,1289 49.74,1290 49.74,1291 28,1292 12.711,1293 4.459,1294 3.524,1295 46.132,1296 167,1297 136,1298 0.133,1299 223.633,1300 379.04,1301 537.425,1302 51199,1303 3.4,1304 21.968,1305 0.687,1306 0.562,1307 20.175,1308 17.975,1309 15.595,1310 0.433,1311 0.311,1312 11.038,1313 14.968,1314 10.85,1315 8.895,1316 14.848,1317 11.194,1318 14.29,1319 0.28,1320 0.172,1321 12.936,1322 8.777,1323 12.213,1324 0.182,1325 0.099,1326 11.214,1327 6.606,1328 9.961,1329 0.116,1330 0.055,1331 9.414,1332 4.698,1333 7.929,1334 0.076,1335 0.032,1336 7.272,1337 3.399,1338 0.218,1339 97.828,1340 0.201,1341 30.649,1342 0.343,1343 174,1344 541.136,1345 191.929,1346 478.391,1347 646.86,1348 448,1349 205,1350 475.03,1351 223.03,1352 470.363,1353 684.61,1354 443,1355 10} {0 CHEMBL6621,1 1.524,2 11.048,3 3.044,4 9.264,5 84.579,6 6.843,7 0.455,8 3.817,9 3.969,10 3.285,11 3.275,12 4.944,13 3.25,14 4.298,15 4.504,16 3.557,17 3.627,18 5.351,19 3.56,20 4.522,21 4.778,22 3.527,23 3.676,24 5.516,25 3.579,26 4.497,27 4.772,28 3.401,29 3.572,30 5.445,31 3.462,32 4.397,33 4.689,34 3.285,35 3.386,36 5.396,37 3.285,38 4.255,39 4.536,40 3.163,41 3.256,42 5.294,43 3.174,44 4.141,45 4.416,46 3.152,47 3.217,48 5.193,49 3.132,50 4.138,51 4.411,52 2.98,53 3.219,54 5.12,55 3.11,56 0.086,57 0.636,58 9.76,59 3.373,60 12.25,61 5.058,62 0.157,63 0.927,64 16.296,65 5.697,66 21.053,67 8.563,68 0.252,69 1.009,70 21.337,71 6.344,72 34.641,73 10.123,74 0.232,75 0.941,76 21.041,77 5.669,78 30.719,79 9.568,80 0.281,81 0.807,82 19.403,83 4.606,84 34.598,85 8.193,86 0.295,87 0.717,88 16.935,89 3.522,90 37.566,91 6.593,92 0.255,93 0.682,94 14.792,95 3.503,96 28.117,97 6.269,98 0.203,99 0.656,100 14.736,101 3.56,102 26.967,103 6.254,104 19,105 28,106 0.27,107 0.672,108 0.833,109 0.893,110 0.893,111 0.893,112 3.101,113 0.968,114 -3.36,115 -3.35,116 -3.2,119 35.7,120 1,121 3,125 1,140 3,141 2,142 1,149 1,150 1,153 1,157 1,161 1,162 1,163 1,166 1,169 6,172 2,173 1,174 2,175 1,176 5,177 1,178 5,181 1,182 2,183 1,184 1,186 5,189 4,193 2,195 1,197 4,199 1,201 1,203 4,207 2,208 4,213 2,215 3,218 1,220 4,224 2,226 2,229 1,230 2,231 4,232 1,233 1,235 2,237 2,242 1,244 2,246 1,249 1,252 1,253 1,254 2,255 1,256 3,258 1,259 603,260 14.267,261 14.267,262 14.267,263 14.267,264 14.267,265 12.566,266 9.39,267 8.936,268 14.537,269 10.847,270 10.847,271 10.847,272 10.847,273 10.847,274 8.359,275 6.931,276 4.247,277 11.281,278 3.868,279 1.599,280 0.691,281 0.351,282 0.351,283 0.351,284 3.765,287 1,288 1,289 1,290 481,291 3.606,294 49.886,295 59.603,298 92.098,302 1.764,303 16.836,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45.5,315 232,316 4.554,317 3.12,318 6.543,319 4.071,320 3.087,321 4.512,322 1.2,323 10.343,324 3.037,325 3.771,326 2.917,327 5.17,328 3.308,329 2.388,330 3.11,331 0.129,332 6.257,333 2.211,334 3.65,335 2.501,336 5.028,337 3.21,338 2.255,339 3.002,341 6.055,342 2.134,343 3.383,344 2.123,345 4.949,346 2.899,347 1.936,348 2.722,350 5.693,351 1.856,352 2.881,353 1.781,354 4.141,355 2.707,356 1.719,357 1.961,359 3.514,360 1.697,361 2.712,362 1.558,363 3.722,364 2.3,365 1.329,366 1.727,368 3.341,369 1.289,370 2.598,371 1.235,372 3.415,373 2.108,374 1.147,375 1.562,377 2.47,378 1.1,379 2.126,380 1.131,381 3.209,382 1.9,383 0.943,384 1.044,386 1.812,387 0.9,388 1.993,389 0.725,390 2.922,391 1.613,392 0.653,393 0.871,395 1.443,396 0.625,397 1.341,398 0.38,399 2.45,400 1.108,401 0.152,402 0.165,404 0.26,405 0.145,406 1.047,407 0.069,408 2.375,409 0.798,410 -0.153,411 -0.178,413 -0.332,414 -0.144,415 0.838,416 -0.12,417 2,418 0.453,419 -0.477,420 -0.611,422 -1.101,423 -0.439,424 0.617,425 -0.495,426 2,427 0.207,428 -0.759,429 -0.809,431 -1.358,432 -0.732,433 0.4,434 -0.829,435 1.802,436 0.108,437 -0.877,438 -1.221,440 -2.617,441 -0.866,442 0.136,443 -0.923,444 1.403,445 -0.224,446 -1.142,447 -1.369,449 -2.805,450 -1.044,451 9.833,452 0.468,453 0.383,454 0.018,455 24.5,456 1.167,457 11.5,458 0.548,459 13,460 0.619,461 15.919,462 0.758,463 23.767,464 0.566,465 16.157,466 0.769,467 4.894,468 0.233,469 5.308,470 0.253,471 0.125,473 0.254,479 1.059,480 1.27,481 0.943,482 1.078,483 1.089,484 1.004,485 0.685,486 1.149,487 0.911,488 1.157,489 0.554,490 1.078,491 0.979,492 1.038,493 0.96,494 1.005,495 0.898,496 0.983,497 0.997,498 1.124,499 0.981,500 1.029,501 0.904,502 0.998,503 1.003,504 1.041,505 0.911,506 0.908,507 0.93,508 0.884,509 1.457,510 1.048,511 1.066,512 0.796,513 1.346,514 0.853,515 0.901,516 1.044,517 0.968,518 0.902,519 0.845,520 0.921,521 1.357,522 0.98,523 1.216,524 0.931,525 1.28,526 1.016,527 3.5,528 0.057,529 2,530 1.104,531 0.693,532 0.417,533 0.264,534 0.188,535 0.134,536 0.086,537 4689,538 11355,539 1.995,540 50,541 7,542 5,543 1,544 1,545 5,547 2,550 1.624,551 1.881,552 3.417,553 2.798,554 1,555 1,557 1,559 64.026,560 1.524,561 3.793,562 4.701,563 5.041,564 5.041,565 5.041,566 2.915,567 4.297,568 4.359,569 3.593,570 754.466,571 7.431,572 8560.08,573 1,574 1,576 1,577 226.477,578 1.322,579 4.328,580 0.159,581 0.006,582 0.071,583 0.042,584 0.032,585 0.022,586 0.016,587 0.011,588 0.01,589 0.007,590 0.375,591 0.33,592 1,593 2.493,594 98.185,595 -0.086,596 0.051,597 0.001,598 0.069,599 -0.139,600 0.049,601 0.112,602 0.025,603 0.026,604 -0.059,605 0.145,606 -0.036,607 -0.018,608 -0.015,609 0.012,610 -0.011,611 0.014,612 0.002,613 -0.047,614 -0.141,615 -0.001,616 -0.081,617 -0.041,618 -0.039,619 0.067,620 -0.098,621 0.096,622 -0.024,623 0.059,624 0.037,625 -0.149,626 -0.074,627 -0.031,628 0.057,629 -0.104,630 0.035,631 0.114,632 -0.008,633 0.032,634 -0.012,635 0.069,636 -0.003,637 -0.289,638 0.046,639 -0.22,640 -0.025,641 -0.237,642 -0.092,643 1.443,644 3.514,645 0.429,646 18.912,647 0.998,648 1.143,649 2.132,650 4.547,651 0.633,652 3.135,653 3.367,654 3.555,655 3.761,656 3.892,657 3.892,658 3.912,659 3.932,660 3.761,661 3.638,662 6.456,663 0.596,664 287.41,665 3.135,666 4.615,667 5.416,668 6.252,669 7.083,670 7.933,671 8.78,672 9.639,673 10.497,674 11.363,675 11.9,676 1,677 1,683 1,684 2,687 2,688 4,690 1,693 2,695 10,711 1,714 42,716 12,717 1,718 22,720 43,721 15,722 8,723 3,724 3,725 1,730 2,731 3,733 1,734 1,736 1,743 3,745 10,746 5,750 2,757 1,758 2,759 1,760 1,761 1,764 21,765 5,766 5,767 6,773 5,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 21,828 1,832 1,833 4,834 1,847 2.4,849 1,854 11.167,855 7.35,856 4.889,857 2.594,858 2.918,859 1.458,860 0.941,861 5.781,862 9.295,863 3.401,864 3.956,865 4.518,866 5.127,867 5.607,868 5.939,869 6.279,870 6.637,871 6.576,872 6.689,873 1,874 26,875 7.7,877 3.083,878 7.754,879 14.709,881 11.386,883 2.254,884 47.333,888 188.338,889 74.86,890 101.019,892 42.683,895 74.86,896 231.021,897 101.019,898 8.825,899 42.606,900 55.364,901 63.502,902 55.993,903 15.814,904 164.795,906 188.338,907 175.879,908 42.683,911 164.795,912 66.226,915 119.554,916 47.278,917 9.047,919 188.338,920 143.703,921 74.86,924 188.338,925 19.511,926 55.349,927 34.674,928 109.029,929 188.338,930 143.703,931 74.86,933 0.552,934 0.304,935 0.158,936 0.085,937 11,938 5,939 0.163,940 7,941 1,942 1.222,943 3.483,944 141.655,945 0.222,946 9,947 92.239,951 15.543,952 7.811,953 4.583,954 1.842,955 126.917,956 6.969,958 3.11,961 1.092,963 110.254,964 406.9,965 29,972 1.646,973 8.239,974 0.31,975 41.905,976 48.023,977 0.283,978 0.703,979 0.872,980 0.935,981 0.935,982 0.935,983 4.58,984 0.943,985 5.352,986 2.47,987 4.043,988 4.64,989 1.247,990 6.075,991 3.968,992 5.764,993 0.653,994 6.851,995 1.812,996 3.434,997 4.388,998 0.623,999 6.843,1000 3.317,1001 7.05,1002 0.152,1003 8.457,1004 1.443,1005 5.533,1006 6.858,1007 1.347,1008 9.94,1009 5.399,1010 8.38,1011 -0.153,1012 10.13,1013 0.26,1014 5.802,1015 7.542,1016 1.024,1017 11.648,1018 5.644,1019 9.747,1020 -0.477,1021 11.849,1022 -0.332,1023 7.327,1024 9.438,1025 1.533,1026 14.248,1027 7.154,1028 11.143,1029 -0.759,1030 13.603,1031 -1.101,1032 8.038,1033 10.571,1034 1.382,1035 16.342,1036 7.857,1037 12.561,1038 -0.877,1039 15.384,1040 -1.358,1041 9.319,1042 12.234,1043 1.767,1044 18.776,1045 9.125,1046 3.087,1047 -1.142,1048 17.185,1049 -2.617,1050 10.25,1051 13.579,1052 1.73,1053 21.021,1054 10.054,1055 2.388,1056 10.343,1057 19.003,1058 -2.805,1059 11.432,1060 15.147,1061 2.038,1062 23.394,1063 11.223,1064 2.255,1065 6.257,1066 20.833,1067 4.512,1068 12.468,1069 16.585,1070 2.077,1071 25.696,1072 12.254,1073 1.936,1074 6.055,1075 22.674,1076 3.11,1077 13.611,1078 18.116,1079 2.335,1080 28.047,1081 13.386,1082 1.719,1083 5.693,1084 24.523,1085 3.002,1086 14.696,1087 19.594,1088 2.426,1089 30.371,1090 14.462,1091 1.329,1092 3.514,1093 26.379,1094 2.722,1095 15.826,1096 21.111,1097 2.653,1098 32.713,1099 15.58,1100 1.147,1101 3.341,1102 28.239,1103 1.961,1104 16.933,1105 22.605,1106 2.777,1107 35.044,1108 16.676,1109 4778,1110 7598,1111 14.504,1112 26.574,1113 31.657,1114 31.43,1115 32.381,1116 31.267,1117 31.218,1118 41.354,1119 2.658,1120 82.375,1121 29.988,1122 5.356,1123 5.12,1124 6.48,1125 5.107,1126 5.087,1127 7.512,1128 2.129,1129 17.002,1130 5.037,1131 10.236,1132 1.439,1133 1.429,1134 1.472,1135 1.421,1136 1.419,1137 1.88,1138 0.121,1139 3.744,1140 1.363,1141 4.123,1142 4.156,1143 4.086,1144 4.036,1145 6.471,1146 4.044,1147 3.757,1148 3.832,1149 3.634,1150 3.599,1151 5.164,1152 3.588,1153 3.569,1154 3.653,1155 3.455,1156 3.364,1157 4.951,1158 3.38,1159 3.446,1160 3.496,1161 3.348,1162 3.259,1163 4.575,1164 3.273,1165 3.255,1166 3.349,1167 3.102,1168 3.008,1169 4.276,1170 3.018,1171 3.088,1172 3.183,1173 2.921,1174 2.865,1175 4.105,1176 2.875,1177 2.859,1178 2.935,1179 2.718,1180 2.66,1181 4.057,1182 2.666,1183 2.723,1184 2.863,1185 2.404,1186 2.435,1187 3.701,1188 2.407,1189 0.207,1190 0.142,1191 0.297,1192 0.185,1193 0.14,1194 4.554,1195 0.205,1196 3.12,1197 0.055,1198 6.543,1199 0.47,1200 4.071,1201 0.138,1202 3.087,1203 4.512,1204 1.2,1205 10.343,1206 3.037,1207 1.926,1208 1.908,1209 2.004,1210 2.015,1211 1.309,1212 2.012,1213 1.742,1214 1.674,1215 2,1216 1.933,1217 1.141,1218 1.953,1219 1.582,1220 1.525,1221 1.733,1222 1.81,1223 0.902,1224 1.792,1225 1.444,1226 1.36,1227 1.687,1228 1.694,1229 0.731,1230 1.693,1231 1.208,1232 1.114,1233 1.465,1234 1.501,1235 0.454,1236 1.515,1237 1.066,1238 1.007,1239 1.272,1240 1.348,1241 0.28,1242 1.331,1243 0.818,1244 0.74,1245 1.201,1246 1.09,1247 0.185,1248 1.137,1249 0.754,1250 0.661,1251 1.083,1252 1.079,1253 0.103,1254 1.067,1255 3.807,1257 5.056,1258 2.398,1259 6.488,1260 4.727,1261 8.016,1262 6.823,1263 9.605,1265 2.147,1269 5.709,1270 9.514,1271 4.056,1272 2.698,1280 25.036,1281 64.026,1282 159.304,1283 197.458,1284 211.722,1285 211.722,1286 211.722,1287 34.1,1288 6.377,1289 98.79,1290 98.79,1291 11,1292 11.912,1293 3.7,1294 3,1295 39.732,1296 81,1297 93,1298 0.239,1299 160.272,1300 269.49,1301 382.824,1302 4559,1304 15.079,1305 0.718,1306 0.578,1307 15.079,1308 12.134,1309 10.203,1310 0.464,1311 0.323,1312 7.002,1313 9.815,1314 6.84,1315 5.783,1316 10.203,1317 7.095,1318 8.565,1319 0.306,1320 0.172,1321 8.565,1322 4.818,1323 6.646,1324 0.195,1325 0.092,1326 6.646,1327 3.124,1328 5.216,1329 0.124,1330 0.048,1331 5.216,1332 2.002,1333 3.972,1334 0.083,1335 0.024,1336 3.972,1337 1.17,1338 0.388,1339 63.945,1340 0.263,1341 21.564,1342 0.615,1343 100,1344 279.418,1345 109.847,1346 277.196,1347 377.75,1348 258,1349 112,1350 281.059,1351 121.294,1352 285.519,1353 407.65,1354 268,1355 8.03} {0 CHEMBL6640,1 1.325,2 5.333,3 1.551,4 2.404,5 50.373,6 6.677,7 0.769,8 3.267,9 3.415,10 2.744,11 2.834,12 4.317,13 2.788,14 3.749,15 3.935,16 3.024,17 3.214,18 4.691,19 3.129,20 3.956,21 4.206,22 2.943,23 3.247,24 4.791,25 3.114,26 3.882,27 4.139,28 2.723,29 3.103,30 4.713,31 2.947,32 3.75,33 4.045,34 2.304,35 2.807,36 4.58,37 2.599,38 3.48,39 3.817,40 1.777,41 2.401,42 4.246,43 2.156,44 2.986,45 3.348,46 1.106,47 1.827,48 3.701,49 1.546,50 2.23,51 2.619,52 0.269,53 1.054,54 2.708,55 0.762,56 0.039,57 0.357,58 5.535,59 2.08,60 5.992,61 3.05,62 0.055,63 0.548,64 9.161,65 3.621,66 7.966,67 5.275,68 0.073,69 0.613,70 11.609,71 4.466,72 11.43,73 6.605,74 0.076,75 0.561,76 10.859,77 3.968,78 10.87,79 5.96,80 0.102,81 0.463,82 9.717,83 3.352,84 13.48,85 5.1,86 0.068,87 0.325,88 7.51,89 2.419,90 11.696,91 3.802,92 0.04,93 0.181,94 4.54,95 1.47,96 7.991,97 2.318,98 0.02,99 0.071,100 2.043,101 0.664,102 3.418,103 1.049,104 4,105 17,106 0.27,107 0.66,108 0.799,109 0.866,110 0.883,111 0.883,112 2.6,113 0.962,114 -2.8,115 -2.82,116 -2.73,119 41.7,121 1,125 1,140 4,141 2,149 1,150 1,161 1,162 1,163 1,169 6,176 4,178 6,180 1,186 4,189 5,191 1,197 2,199 3,201 1,207 1,208 1,210 1,211 1,213 1,220 2,224 2,231 1,235 1,259 106,260 8.422,261 8.422,262 8.422,263 8.422,264 8.422,265 7.265,266 3.388,267 5.214,268 8.495,269 6.397,270 6.397,271 6.397,272 6.397,273 6.397,274 4.684,275 1.471,276 2.374,277 6.515,278 3.26,279 1.349,280 0.667,281 0.333,282 0.25,283 0.25,284 3.238,288 1,289 1,290 134,291 1.871,294 20.299,295 24.713,298 38.132,302 0.889,303 5.077,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 25,315 64,316 4.523,317 3.136,318 6.526,319 4.047,320 3.06,321 4.473,323 10.263,324 3.019,325 3.416,326 2.216,327 5.128,328 3.034,329 2.045,330 2.767,332 5.99,333 2.022,334 3.046,335 1.546,336 4.189,337 2.519,338 1.546,339 2.318,341 3.769,342 1.501,343 2.672,344 1.373,345 3.594,346 2.271,347 1.283,348 1.743,350 2.828,351 1.267,352 2.267,353 1.083,354 3.248,355 1.963,356 1,357 1.217,359 1.943,360 0.96,361 1.915,362 0.642,363 2.911,364 1.504,365 0.546,366 0.739,368 1.1,369 0.522,370 0.831,371 -0.153,372 2,373 0.552,374 -0.405,375 -0.468,377 -0.693,378 -0.386,379 0.654,380 -0.833,381 2,382 0.156,383 -0.837,384 -1.231,386 -1.971,387 -0.829,388 0.355,389 -0.956,390 1.793,391 -0.026,392 -1,393 -1.326,395 -2.185,396 -0.974,397 -0.088,398 -1.36,399 1.299,400 -0.507,401 -1.48,402 -1.88,404 -3.957,405 -1.437,406 -0.377,407 -1.729,408 0.76,409 -0.854,410 -1.849,411 -2.53,413 -4.95,414 -1.815,415 -0.5,416 -1.884,417 0.32,418 -0.958,419 -1.909,420 -2.823,422 -5.493,423 -1.849,424 -0.713,425 -2,426 0.233,427 -1,428 -2,429 -3,431 -6.643,432 -2,451 5.8,452 0.483,453 0.171,454 0.014,455 15.25,456 1.271,457 8,458 0.667,459 7.25,460 0.604,461 6.772,462 0.564,463 12.8,464 0.533,465 7.769,466 0.647,467 3.115,468 0.26,469 2.8,470 0.233,471 0.069,473 0.259,479 1.34,480 1.04,481 0.952,482 0.89,483 1.344,484 0.886,485 0.987,486 1.101,487 0.994,488 1.05,489 0.956,490 1.027,491 0.816,492 1,493 0.923,494 0.991,495 0.782,496 0.971,497 1.032,498 1.157,499 1.122,500 1.164,501 0.766,502 1.154,503 0.985,504 1.046,505 1.151,506 1.144,507 1.026,508 1.159,509 1.159,510 0.901,511 1.012,512 0.916,513 1.216,514 0.945,515 0.968,516 0.785,517 0.88,518 0.808,519 1.404,520 0.831,521 0.809,522 0.406,523 0.676,524 0.504,525 1.215,526 0.565,527 1.5,529 1.333,530 0.792,531 0.262,532 0.17,533 0.06,534 0.028,537 806,538 1812,539 2.089,540 50,542 6,543 1,545 3,547 2,550 1.459,551 2,552 2.485,553 1.394,559 31.8,560 1.325,561 3.236,562 3.918,563 4.252,564 4.335,565 4.335,566 1.959,567 3.085,568 3.554,569 2.491,570 164.416,571 5.854,572 1118.13,574 1,577 110.039,578 1.189,579 3.536,580 0.115,582 0.078,583 0.053,584 0.024,585 0.028,586 0.02,587 0.028,590 0.347,591 1,592 1,593 1.195,594 41.276,595 -0.197,596 0.159,597 0.006,598 0.138,599 -0.232,600 0.099,601 -0.102,602 -0.012,603 -0.056,604 -0.021,605 -0.136,606 -0.032,607 -0.012,608 -0.035,609 0.02,610 0.002,611 -0.012,612 0.012,613 -0.1,614 -0.192,615 -0.175,616 -0.203,617 -0.035,618 -0.197,619 0.081,620 -0.131,621 -0.187,622 -0.232,623 0.026,624 -0.234,625 -0.079,626 -0.059,627 -0.033,628 -0.033,629 0.011,630 -0.029,631 0.016,632 -0.012,633 0.101,634 0.068,635 -0.017,636 0.088,637 0.062,638 0.278,639 0.311,640 0.362,641 -0.037,642 0.36,643 0.79,644 1.497,645 0.75,646 5.306,647 0.984,648 1.128,649 1.574,650 2.478,651 0.659,652 2.639,653 2.89,654 3.178,655 3.434,656 3.497,657 3.367,658 3.296,659 3.135,660 2.398,661 1.946,662 3.254,663 0.612,664 160.24,665 2.639,666 4.111,667 4.949,668 5.808,669 6.671,670 7.541,671 8.41,672 9.282,673 10.154,674 11.027,675 8.3,676 1,683 1,687 2,688 5,690 1,693 1,695 10,714 24,716 10,717 1,718 13,720 25,721 10,722 8,723 2,724 4,730 2,731 3,736 1,743 1,745 8,746 2,764 12,765 1,766 3,767 2,773 2,777 0.5,788 1,792 1,793 1,796 1,812 1,819 1,827 12,828 1,833 2,854 6,855 4,856 2.806,857 1.396,858 2.095,859 1.387,860 1.025,861 1.939,862 7.502,863 2.944,864 3.562,865 4.236,866 4.872,867 5.29,868 5.485,869 5.782,870 6.016,871 5.163,872 4.861,873 0.75,874 15,875 4.406,876 0.006,877 1.795,878 7.542,879 8.625,880 0.002,881 6.988,882 -0.002,883 2.042,884 24.5,885 0.017,888 105.94,889 59.495,890 49.683,895 59.495,896 105.94,897 49.683,899 37.537,900 46.952,902 22.544,903 13.915,904 94.169,906 105.94,907 109.178,911 82.398,912 23.542,915 54.323,916 54.855,919 105.94,920 49.683,921 59.495,924 105.94,925 12.543,926 46.952,927 16.786,928 32.897,929 105.94,930 49.683,931 59.495,933 0.55,934 0.335,935 0.201,936 0.103,937 9,938 3,939 0.08,940 2,941 1,942 1.222,943 2.464,944 69.694,945 0.222,946 9,947 43.02,951 7.528,952 3.091,953 1.299,954 2.49,955 32.897,956 10.324,958 3.217,961 1.313,963 49.683,964 215.118,965 18,975 23.622,976 27.073,977 0.289,978 0.706,979 0.855,980 0.927,981 0.945,982 0.945,983 4.103,984 -0.837,985 4.89,986 -0.693,987 3.555,988 4.241,990 5.68,991 3.521,992 5.297,993 -1,994 6.425,995 -1.971,996 2.944,997 4.007,999 6.581,1000 2.912,1001 6.598,1002 -1.48,1003 8.074,1004 -2.185,1005 5.094,1006 6.557,1008 9.705,1009 5.034,1010 7.953,1011 -1.849,1012 9.794,1013 -3.957,1014 5.442,1015 7.302,1017 11.519,1018 5.378,1019 9.35,1020 -1.909,1021 11.561,1022 -4.95,1023 6.984,1024 9.23,1026 14.116,1027 6.9,1028 10.778,1029 -2,1030 13.359,1031 -5.493,1032 7.775,1033 10.407,1035 16.255,1036 7.681,1037 12.229,1039 15.178,1040 -6.643,1041 9.064,1042 12.084,1044 18.681,1045 8.955,1046 3.06,1048 17.013,1050 10.047,1051 13.448,1053 20.939,1054 9.925,1055 2.045,1056 10.263,1057 18.857,1059 11.233,1060 15.021,1062 23.305,1063 11.098,1064 1.546,1065 5.99,1066 20.71,1067 4.473,1068 12.297,1069 16.464,1071 25.607,1072 12.148,1073 1.283,1074 3.769,1075 22.568,1076 2.767,1077 13.442,1078 17.993,1080 27.95,1081 13.28,1082 1,1083 2.828,1084 24.431,1085 2.318,1086 14.539,1087 19.468,1089 30.268,1090 14.362,1091 0.546,1092 1.943,1093 26.296,1094 1.743,1095 15.668,1096 20.98,1098 32.602,1099 15.478,1100 -0.405,1101 1.1,1102 28.164,1103 1.217,1104 16.777,1105 22.468,1107 34.926,1108 16.573,1109 859,1110 1322,1111 8.841,1112 15.818,1113 19.06,1114 18.993,1115 19.806,1116 18.95,1117 18.96,1118 26.516,1120 51.785,1121 18.582,1122 5.237,1123 5.136,1124 6.293,1125 5.047,1126 5.06,1127 7.473,1129 16.906,1130 5.019,1131 3.863,1132 1.466,1133 1.461,1134 1.524,1135 1.458,1136 1.458,1137 2.04,1139 3.983,1140 1.429,1141 4.124,1142 4.159,1143 4.078,1144 4.042,1145 5.03,1146 4.047,1147 3.549,1148 3.624,1149 3.407,1150 3.416,1151 4.94,1152 3.406,1153 3.324,1154 3.407,1155 3.178,1156 3.11,1157 4.303,1158 3.115,1159 2.941,1160 3.02,1161 2.803,1162 2.794,1163 3.8,1164 2.787,1165 2.64,1166 2.774,1167 2.369,1168 2.337,1169 3.429,1170 2.328,1171 2.406,1172 2.485,1173 2.236,1174 2.233,1175 3.133,1176 2.224,1177 2.093,1178 2.262,1179 1.744,1180 1.707,1181 2.733,1182 1.696,1183 1.878,1184 2.057,1185 1.379,1186 1.484,1187 2.245,1188 1.434,1189 0.348,1190 0.241,1191 0.502,1192 0.311,1193 0.235,1194 4.523,1195 0.344,1196 3.136,1198 6.526,1199 0.789,1200 4.047,1201 0.232,1202 3.06,1203 4.473,1205 10.263,1206 3.019,1207 1.94,1208 1.916,1209 2.04,1210 2.018,1211 1.222,1212 2.026,1213 1.649,1214 1.59,1215 1.854,1216 1.845,1217 1.015,1218 1.854,1219 1.287,1220 1.197,1221 1.529,1222 1.573,1223 0.557,1224 1.57,1225 0.991,1226 0.928,1227 1.225,1228 1.208,1229 0.294,1230 1.224,1231 0.763,1232 0.69,1233 1.08,1234 0.969,1235 0.127,1236 1.012,1237 0.52,1238 0.373,1239 0.96,1240 0.859,1241 0.002,1242 0.903,1243 0.051,1245 0.689,1246 0.49,1248 0.572,1251 0.443,1252 0.249,1254 0.328,1255 3.296,1257 4.554,1258 2.398,1259 6.033,1260 4.727,1261 7.616,1262 6.823,1263 9.252,1269 5.497,1271 1.659,1280 14.677,1281 31.8,1282 77.675,1283 94.039,1284 102.039,1285 104.039,1286 104.039,1287 10.419,1288 5.407,1289 41.81,1290 41.81,1291 11,1292 11.568,1293 3.459,1294 2.585,1295 17.067,1296 23,1297 25,1298 0.405,1299 93.786,1300 146.48,1301 220.598,1302 1105,1304 8.389,1305 0.699,1306 0.573,1307 8.389,1308 6.878,1309 5.915,1310 0.455,1311 0.321,1312 4.135,1313 5.801,1314 4.046,1315 3.381,1316 5.915,1317 4.167,1318 4.834,1319 0.284,1320 0.17,1321 4.834,1322 2.898,1323 4.141,1324 0.18,1325 0.091,1326 4.141,1327 2.089,1328 3.587,1329 0.12,1330 0.05,1331 3.587,1332 1.494,1333 2.644,1334 0.083,1335 0.029,1336 2.644,1337 0.914,1338 0.58,1339 36.298,1340 0.336,1341 11.955,1342 1.264,1343 60,1344 129.645,1345 62.415,1346 133.3,1347 189.11,1348 126,1349 70,1350 143.394,1351 72.498,1352 148.424,1353 216.03,1354 141,1355 7.427} {0 CHEMBL67367,1 1.517,2 14.735,3 3.592,4 12.901,5 133.13,6 7.26,7 0.553,8 4.259,9 4.396,10 3.812,11 3.771,12 5.299,13 3.751,14 4.842,15 5.039,16 4.203,17 4.195,18 5.973,19 4.157,20 5.119,21 5.347,22 4.171,23 4.362,24 6.097,25 4.264,26 5.242,27 5.508,28 4.179,29 4.389,30 6.126,31 4.267,32 5.279,33 5.555,34 4.197,35 4.326,36 6.312,37 4.22,38 5.184,39 5.464,40 4.076,41 4.24,42 6.179,43 4.143,44 5.04,45 5.292,46 4.036,47 4.185,48 6.043,49 4.07,50 5.053,51 5.341,52 3.917,53 4.087,54 6.012,55 3.972,56 0.044,57 1.134,58 13.682,59 5.754,60 15.113,61 7.853,62 0.465,63 1.989,64 27.461,65 9.542,66 63.582,67 13.305,68 0.564,69 2.293,70 38.107,71 13.602,72 63.151,73 18.619,74 0.351,75 2.39,76 43.949,77 15.759,78 49.267,79 22.5,80 0.716,81 2.625,82 48.324,83 16.095,84 102.51,85 21.81,86 0.698,87 2.327,88 44.272,89 13.847,90 94.783,91 18.791,92 0.605,93 2.044,94 36.115,95 12.532,96 61.537,97 17.809,98 0.442,99 1.967,100 38.099,101 12.048,102 64.792,103 17.256,104 10,105 54,106 0.241,107 0.571,108 0.767,109 0.83,110 0.837,111 0.837,112 3.56,113 0.929,114 -5.55,115 -5.42,116 -5.06,119 40.6,121 3,124 1,125 4,127 1,130 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 10,171 2,172 7,176 3,178 11,182 5,186 3,189 7,192 1,193 8,199 4,203 7,206 1,211 7,215 4,218 1,222 6,226 6,229 2,233 4,236 1,237 4,242 2,244 2,249 2,256 3,259 2210,260 23.032,261 23.032,262 23.032,263 23.032,264 23.032,265 20.593,266 28.181,267 13.585,268 23.611,269 18.812,270 18.812,271 18.812,272 18.812,273 18.812,274 15.256,275 37.759,276 6.519,277 19.815,278 4.483,279 2.404,280 1.172,281 0.774,282 0.731,283 0.731,284 4.266,289 1,290 1113,291 4,294 184.388,295 355.602,298 157.372,302 2.355,303 34.82,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 74,315 501,316 4.586,317 4.023,318 6.815,319 4.203,320 3.282,321 4.521,322 1.51,323 11.339,324 3.096,325 4.227,326 3.17,327 6.511,328 3.993,329 3.053,330 3.734,331 0.916,332 10.251,333 2.791,334 4.1,335 3.131,336 6.091,337 3.792,338 2.844,339 3.459,340 0.8,341 8.867,342 2.691,343 3.97,344 2.867,345 6.058,346 3.667,347 2.733,348 3.24,349 0.172,350 8.721,351 2.546,352 3.714,353 2.749,354 5.356,355 3.457,356 2.476,357 2.792,359 6.999,360 2.429,361 3.388,362 2.506,363 5.24,364 3.144,365 2.222,366 2.738,368 6.556,369 2.044,370 3.265,371 2.094,372 5.058,373 2.898,374 1.93,375 2.564,377 5.789,378 1.853,379 3.206,380 1.789,381 4.513,382 2.717,383 1.761,384 2.272,386 4.654,387 1.679,388 2.894,389 1.654,390 4.135,391 2.513,392 1.528,393 2.034,395 3.623,396 1.504,397 2.716,398 1.341,399 4.086,400 2.22,401 1.248,402 1.814,404 3.366,405 1.21,406 2.5,407 1.289,408 3.547,409 2.143,410 1.185,411 1.5,413 2.807,414 1.13,415 2.391,416 1.077,417 3.444,418 2,419 1,420 1.342,422 2.275,423 1,424 2.285,425 1,426 3.414,427 1.984,428 1,429 1.275,431 2.154,432 0.983,433 2.118,434 0.978,435 3.311,436 1.887,437 0.926,438 1,440 2.136,441 0.887,442 2.088,443 0.705,444 3.247,445 1.59,446 0.636,447 0.927,449 1.571,450 0.605,451 15.971,452 0.47,453 0.878,454 0.026,455 40.75,456 1.199,457 18,458 0.529,459 22.75,460 0.669,461 32.809,462 0.965,463 37.429,464 0.585,465 31.605,466 0.93,467 8.098,468 0.238,469 8.369,470 0.246,471 0.067,472 0.031,473 0.263,475 2,479 0.618,480 1.228,481 0.768,482 1.156,483 0.54,484 1.024,485 0.814,486 0.969,487 0.904,488 0.945,489 0.576,490 0.929,491 1.12,492 1.047,493 1.17,494 1.119,495 1.173,496 1.152,497 0.709,498 1.017,499 0.892,500 1.086,501 0.65,502 1.04,503 1.295,504 1.173,505 0.972,506 1.015,507 1.527,508 0.96,509 1.528,510 1.066,511 1.072,512 0.854,513 1.622,514 0.87,515 0.789,516 1.026,517 0.997,518 1.166,519 0.993,520 1.144,521 1.048,522 1.036,523 0.936,524 0.952,525 0.988,526 0.924,527 7.5,528 0.174,529 3.778,530 2.194,531 1.827,532 1.292,533 0.69,534 0.579,535 0.294,536 0.298,537 19690,538 48420,539 2.138,540 46.9,542 20,543 1,544 2,545 1,548 6,550 1.755,551 2.03,552 3.816,553 -0.363,559 97.072,560 1.517,561 3.596,562 4.828,563 5.226,564 5.269,565 5.269,566 3.257,567 4.676,568 5.057,569 4.018,570 2254.11,571 8.843,572 35930.5,577 384,578 1.396,579 5.027,580 0.197,581 0.006,582 0.07,583 0.044,584 0.037,585 0.027,586 0.016,587 0.014,588 0.008,589 0.01,590 0.429,591 0.33,592 0.63,593 0.459,594 185.493,595 0.019,596 -0.158,597 0.068,598 -0.075,599 -0.031,600 -0.013,601 0.1,602 0.101,603 0.021,604 0.057,605 0.201,606 0.036,607 -0.076,608 0.04,609 -0.208,610 -0.09,611 -0.095,612 -0.159,613 0.032,614 -0.147,615 0.059,616 -0.086,617 0.056,618 -0.024,619 0.018,620 -0.072,621 0.078,622 -0.011,623 -0.034,624 0.03,625 -0.162,626 0.048,627 -0.012,628 0.121,629 -0.137,630 0.095,631 0.188,632 -0.028,633 -0.02,634 -0.161,635 0.016,636 -0.148,637 -0.029,638 -0.103,639 0.08,640 0.001,641 0.034,642 0.053,643 4.051,644 7.125,645 0.765,646 42.529,647 1.002,648 1.142,649 4.317,650 18.633,651 0.653,652 3.664,653 4.007,654 4.248,655 4.522,656 4.691,657 4.779,658 4.949,659 5.069,660 5.075,661 5.17,662 8.537,663 0.621,664 464.62,665 3.664,666 5.22,667 6.066,668 6.952,669 7.812,670 8.7,671 9.567,672 10.458,673 11.33,674 12.223,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 38,720 68,721 26,722 16,723 4,724 8,730 5,731 6,738 1,740 3,743 5,745 16,746 10,762 2,764 30,765 6,766 1,767 8,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 2,827 34,833 7,837 1,838 2,839 1,844 1,846 2,854 16.75,855 11.536,856 7.278,857 3.838,858 3.492,859 1.424,860 1.01,861 6.667,862 11.719,863 3.902,864 4.489,865 5.042,866 5.629,867 6.064,868 6.4,869 6.86,870 7.276,871 7.479,872 7.73,873 0.9,874 50,875 12.794,877 5.676,878 7.733,879 24.45,881 20.696,883 2.233,884 75.917,888 341.362,889 142.186,890 58.259,893 29.92,895 142.186,896 341.362,897 88.179,898 8.396,899 16.026,900 84.857,901 74.105,902 68.378,903 13.915,904 306.049,906 341.362,907 200.446,908 29.92,911 270.735,912 100.547,914 1.824,915 58.197,916 107.099,917 33.326,919 371.282,920 58.259,921 142.186,924 343.186,925 29.871,926 118.639,927 16.786,928 63.246,929 341.362,930 88.179,931 142.186,933 0.587,934 0.331,935 0.179,936 0.092,937 27,938 11,939 0.118,940 8,941 1,942 1.077,943 4.638,944 316.222,945 0.077,946 26,947 158.974,951 23.01,952 9.851,953 5.505,954 1.664,955 69.495,956 21.035,957 7.653,958 3.132,961 2.765,962 1.771,963 16.786,964 571.728,965 48.5,975 64.123,976 73.067,977 0.253,978 0.599,979 0.805,980 0.871,981 0.878,982 0.878,983 5.155,984 1.761,985 6.071,986 5.789,987 4.691,988 5.176,989 2.082,990 6.893,991 4.589,992 6.354,993 1.528,994 7.636,995 4.654,996 4.369,997 4.924,998 0.57,999 7.953,1000 4.137,1001 7.659,1002 1.248,1003 9.306,1004 3.623,1005 6.337,1006 7.341,1007 2.551,1008 10.965,1009 6.117,1010 8.998,1011 1.185,1012 11.039,1013 3.366,1014 6.836,1015 7.96,1016 0.581,1017 12.833,1018 6.482,1019 10.371,1020 1,1021 12.813,1022 2.807,1023 8.283,1024 9.836,1025 3.246,1026 15.402,1027 7.927,1028 11.766,1029 1,1030 14.614,1031 2.275,1032 9.137,1033 10.887,1034 0.515,1035 17.579,1036 8.664,1037 13.178,1038 0.926,1039 16.434,1040 2.154,1041 10.391,1042 12.538,1043 4.021,1044 20.018,1045 9.894,1046 3.282,1047 0.636,1048 18.268,1049 2.136,1050 11.405,1051 13.813,1052 0.441,1053 22.321,1054 10.811,1055 3.053,1056 11.339,1057 20.113,1058 1.571,1059 12.587,1060 15.369,1061 4.827,1062 24.724,1063 11.953,1064 2.844,1065 10.251,1066 21.967,1067 4.521,1068 13.675,1069 16.758,1070 0.373,1071 27.082,1072 12.959,1073 2.733,1074 8.867,1075 23.827,1076 3.734,1077 14.834,1078 18.276,1079 5.644,1080 29.478,1081 14.067,1082 2.476,1083 8.721,1084 25.694,1085 3.459,1086 15.958,1087 19.723,1088 0.314,1089 31.861,1090 15.118,1091 2.222,1092 6.999,1093 27.565,1094 3.24,1095 17.111,1096 21.228,1097 6.465,1098 34.261,1099 16.217,1100 1.93,1101 6.556,1102 29.44,1103 2.792,1104 18.254,1105 22.704,1106 0.264,1107 36.658,1108 17.294,1109 18114,1110 28667,1111 25.83,1112 41.807,1113 58.053,1114 56.89,1115 57.355,1116 57.184,1117 57.005,1118 72.361,1119 6.798,1120 165.29,1121 54.122,1122 5.586,1123 6.023,1124 6.617,1125 5.263,1126 5.282,1127 7.521,1128 3.02,1129 18.376,1130 5.096,1131 13.167,1132 1.528,1133 1.497,1134 1.509,1135 1.505,1136 1.5,1137 1.904,1138 0.179,1139 4.35,1140 1.424,1141 4.156,1142 4.194,1143 4.117,1144 4.062,1145 8.358,1146 4.071,1147 3.953,1148 4.004,1149 3.867,1150 3.864,1151 7.999,1152 3.859,1153 3.853,1154 3.913,1155 3.797,1156 3.707,1157 5.135,1158 3.709,1159 3.82,1160 3.885,1161 3.74,1162 3.586,1163 4.924,1164 3.625,1165 3.6,1166 3.661,1167 3.528,1168 3.395,1169 4.756,1170 3.417,1171 3.391,1172 3.473,1173 3.259,1174 3.195,1175 4.366,1176 3.2,1177 3.269,1178 3.337,1179 3.17,1180 3.083,1181 4.251,1182 3.091,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 4.078,1188 2.91,1189 0.121,1190 0.106,1191 0.179,1192 0.111,1193 0.086,1194 4.586,1195 0.119,1196 4.023,1197 0.04,1198 6.815,1199 0.298,1200 4.203,1201 0.081,1202 3.282,1203 4.521,1204 1.51,1205 11.339,1206 3.096,1207 1.96,1208 1.936,1209 2.079,1210 2.072,1211 1.432,1212 2.077,1213 1.925,1214 1.89,1215 2.035,1216 2.048,1217 1.235,1218 2.045,1219 1.831,1220 1.774,1221 2.007,1222 1.974,1223 1.155,1224 1.988,1225 1.648,1226 1.6,1227 1.81,1228 1.838,1229 1.044,1230 1.832,1231 1.425,1232 1.349,1233 1.674,1234 1.686,1235 0.826,1236 1.678,1237 1.383,1238 1.311,1239 1.544,1240 1.626,1241 0.825,1242 1.615,1243 1.252,1244 1.183,1245 1.513,1246 1.484,1247 0.694,1248 1.484,1249 1.153,1250 1.064,1251 1.467,1252 1.442,1253 0.58,1254 1.429,1255 4.344,1257 5.68,1258 3.045,1259 7.194,1260 5.283,1261 8.785,1262 7.286,1263 10.417,1265 2.132,1267 30.251,1271 3.617,1275 0.426,1276 4.272,1277 -2.801,1280 39.743,1281 97.072,1282 230.133,1283 308.98,1284 334.49,1285 337.245,1286 337.245,1287 64.754,1288 8.227,1289 52.98,1290 52.98,1291 28,1292 12.754,1293 4.459,1294 3.524,1295 50.324,1296 174,1297 178,1298 0.137,1299 240.02,1300 407.34,1301 577.409,1302 51648,1303 3.1,1304 23.545,1305 0.693,1306 0.57,1307 21.753,1308 19.37,1309 16.466,1310 0.433,1311 0.31,1312 11.572,1313 15.75,1314 11.318,1315 9.324,1316 15.759,1317 11.761,1318 15.449,1319 0.286,1320 0.173,1321 13.808,1322 9.354,1323 12.451,1324 0.18,1325 0.099,1326 11.982,1327 6.827,1328 10.668,1329 0.117,1330 0.055,1331 9.951,1332 4.988,1333 8.072,1334 0.075,1335 0.031,1336 7.517,1337 3.377,1338 0.222,1339 103.598,1340 0.197,1341 32.096,1342 0.357,1343 184,1344 568.781,1345 205.852,1346 504.371,1347 680.05,1348 472,1349 215,1350 496.143,1351 235.639,1352 493.532,1353 720.86,1354 462,1355 7.456} {0 CHEMBL67460,1 1.491,2 14.97,3 4.916,4 24.169,5 128.995,6 7.252,7 0.568,8 4.224,9 4.357,10 3.776,11 3.765,12 5.267,13 3.738,14 4.803,15 4.99,16 4.149,17 4.196,18 5.805,19 4.146,20 5.111,21 5.345,22 4.147,23 4.344,24 6.088,25 4.245,26 5.197,27 5.459,28 4.021,29 4.336,30 6.125,31 4.195,32 5.163,33 5.46,34 3.944,35 4.244,36 5.95,37 4.091,38 5.028,39 5.297,40 4.022,41 4.162,42 6.07,43 4.058,44 4.99,45 5.241,46 3.939,47 4.137,48 5.972,49 4.027,50 4.992,51 5.278,52 3.706,53 4.054,54 5.862,55 3.901,56 0.036,57 1.085,58 13.146,59 5.817,60 11.546,61 7.763,62 0.187,63 1.819,64 25.62,65 10.039,66 22.43,67 13.589,68 0.377,69 2.304,70 38.022,71 14.287,72 62.058,73 18.903,74 0.533,75 2.319,76 43.013,77 15.64,78 79.368,79 21.239,80 0.395,81 2.03,82 42.269,83 14.866,84 59.982,85 21.516,86 0.557,87 2.088,88 36.505,89 12.488,90 89.884,91 17.444,92 0.411,93 1.964,94 34.572,95 12.211,96 65.692,97 16.409,98 0.559,99 1.76,100 35.907,101 11.602,102 66.578,103 16.581,104 5,105 52,106 0.238,107 0.568,108 0.735,109 0.829,110 0.859,111 0.859,112 3.531,113 0.948,114 -6.59,115 -6.41,116 -5.94,119 41.9,121 6,125 3,129 1,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 11,171 2,172 5,176 3,178 14,182 3,186 3,189 12,193 7,197 1,199 10,203 7,206 1,211 7,215 5,218 1,222 8,226 4,229 2,233 6,236 1,237 5,242 2,244 5,249 1,256 6,259 1954,260 22.637,261 22.637,262 22.637,263 22.637,264 22.637,265 20.145,266 24.416,267 13.309,268 23.088,269 18.248,270 18.248,271 18.248,272 18.248,273 18.248,274 14.589,275 24.358,276 6.299,277 19.044,278 4.463,279 2.398,280 1.353,281 0.766,282 0.581,283 0.581,284 4.24,288 1,289 1,290 1100,291 3.464,294 178.627,295 340.401,298 152.514,302 2.338,303 32.992,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 71.5,315 494,316 4.568,317 3.694,318 6.973,319 4.227,320 3.284,321 4.518,322 0.8,323 11.783,324 3.081,325 4.296,326 3.196,327 6.566,328 4.099,329 3.118,330 3.776,332 10.431,333 3.062,334 4.138,335 3.166,336 6.095,337 3.748,338 2.779,339 3.731,341 8.884,342 2.683,343 4.129,344 2.886,345 6.018,346 3.689,347 2.752,348 3.274,350 8.537,351 2.577,352 3.458,353 2.76,354 5.309,355 3.326,356 2.407,357 2.812,359 6.872,360 2.212,361 3.377,362 2.184,363 5.126,364 3.009,365 2.03,366 2.593,368 6,369 1.981,370 3.246,371 2.022,372 4.514,373 2.73,374 1.776,375 2.401,377 4.655,378 1.691,379 2.919,380 1.795,381 4.231,382 2.54,383 1.556,384 2.089,386 3.929,387 1.529,388 2.846,389 1.532,390 4.134,391 2.379,392 1.414,393 1.979,395 3.484,396 1.347,397 2.743,398 1.377,399 3.802,400 2.321,401 1.335,402 1.848,404 2.989,405 1.315,406 2.431,407 1.179,408 3.677,409 2.105,410 1.139,411 1.407,413 2.577,414 1.098,415 2.27,416 1.077,417 3.58,418 1.984,419 1,420 1.215,422 2.372,423 0.983,424 2.118,425 0.945,426 3.439,427 1.868,428 0.903,429 1,431 2.112,432 0.87,433 2.01,434 0.798,435 3.311,436 1.721,437 0.732,438 0.927,440 1.739,441 0.722,442 2,443 0.698,444 3.171,445 1.556,446 0.618,447 0.87,449 1.44,450 0.57,451 15.571,452 0.472,453 0.749,454 0.023,455 39.5,456 1.197,457 18,458 0.545,459 21.5,460 0.652,461 31.809,462 0.964,463 36.029,464 0.581,465 28.009,466 0.849,467 7.512,468 0.228,469 8.583,470 0.26,471 0.037,472 0.032,473 0.244,474 1,477 1,479 0.587,480 1.13,481 0.768,482 1.102,483 0.5,484 0.998,485 0.79,486 1.048,487 0.903,488 1.043,489 0.645,490 1,491 1.186,492 1.119,493 1.101,494 1.093,495 1.204,496 1.087,497 1.111,498 1.041,499 1.14,500 1.112,501 1.208,502 1.136,503 0.661,504 0.836,505 0.818,506 0.911,507 0.648,508 0.901,509 0.875,510 0.948,511 0.882,512 0.929,513 0.817,514 0.91,515 1.225,516 1.157,517 1.131,518 1.126,519 1.311,520 1.12,521 1.063,522 0.843,523 1.14,524 0.948,525 1.068,526 1.032,527 6.5,528 0.148,529 4.222,530 1.444,531 1.459,532 1.097,533 0.548,534 0.317,535 0.278,536 0.228,537 19289,538 49535,539 2.161,540 46.8,541 4,542 13,543 1,544 2,545 1,547 4,548 4,550 1.745,551 2.073,552 3.832,553 -0.382,559 92.458,560 1.491,561 3.556,562 4.601,563 5.188,564 5.374,565 5.374,566 3.268,567 4.681,568 5.018,569 4.056,570 2141.78,571 8.744,572 34512.7,574 1,577 369.16,578 1.284,579 4.993,580 0.176,581 0.005,582 0.081,583 0.029,584 0.036,585 0.028,586 0.013,587 0.008,588 0.01,589 0.008,590 0.395,591 0.33,592 0.75,593 0.398,594 180.144,595 0.023,596 -0.087,597 0.063,598 -0.032,599 0.005,600 0.009,601 -0.017,602 -0.033,603 -0.006,604 -0.025,605 0.019,606 -0.015,607 -0.12,608 -0.047,609 -0.127,610 -0.066,611 -0.073,612 -0.09,613 -0.07,614 -0.029,615 -0.148,616 -0.099,617 -0.087,618 -0.133,619 0.045,620 -0.041,621 0.156,622 0.063,623 0.028,624 0.116,625 0.121,626 0.017,627 0.116,628 0.049,629 0.177,630 0.077,631 -0.086,632 -0.093,633 -0.129,634 -0.13,635 -0.116,636 -0.14,637 -0.075,638 0.085,639 -0.133,640 0.001,641 -0.111,642 -0.06,643 2.436,644 7.273,645 0.788,646 40.002,647 1,648 1.138,649 5.356,650 28.692,651 0.658,652 3.638,653 3.97,654 4.234,655 4.454,656 4.644,657 4.718,658 4.804,659 4.927,660 5.017,661 5.069,662 8.85,663 0.625,664 449.6,665 3.638,666 5.187,667 6.038,668 6.913,669 7.777,670 8.654,671 9.524,672 10.403,673 11.276,674 12.157,675 8.1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 62,716 21,717 2,718 37,720 66,721 26,722 16,723 5,724 7,730 5,731 6,740 2,741 1,743 6,745 16,746 10,747 1,748 1,762 2,764 29,765 5,766 1,767 7,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 2,827 33,833 9,838 1,839 1,844 1,846 2,854 15.917,855 10.919,856 7.153,857 3.964,858 3.603,859 1.437,860 1.016,861 6.459,862 11.856,863 3.882,864 4.477,865 5.055,866 5.615,867 6.051,868 6.377,869 6.794,870 7.213,871 7.416,872 7.63,873 0.9,874 49,875 12.334,877 5.401,878 7.72,879 23.87,881 20.38,883 2.22,884 73.25,887 1,888 329.591,889 137.109,890 55.135,893 29.92,895 137.109,896 329.591,897 85.055,899 21.524,900 75.381,901 74.105,902 42.631,903 43.835,904 294.278,906 329.591,907 192.244,908 29.92,911 265.342,912 94.169,915 60.57,916 98.347,917 33.326,919 359.511,920 55.135,921 137.109,924 329.591,925 44.49,926 97.642,927 16.786,928 63.246,929 329.591,930 85.055,931 137.109,933 0.585,934 0.341,935 0.174,936 0.09,937 26,938 10,939 0.121,940 8,941 1,942 1.077,943 4.652,944 297.64,945 0.077,946 26,947 158.465,951 22.096,952 9.646,953 5.116,954 2.34,955 66.371,956 18.487,957 7.775,958 3.361,961 2.716,962 1.902,963 16.786,964 551.755,965 47.5,975 62.021,976 70.569,977 0.25,978 0.597,979 0.773,980 0.871,981 0.902,982 0.902,983 5.125,984 1.556,985 6.033,986 4.655,987 4.654,988 5.165,989 0.673,990 6.853,991 4.57,992 6.326,993 1.414,994 7.601,995 3.929,996 4.29,997 4.934,998 0.325,999 7.98,1000 4.117,1001 7.637,1002 1.335,1003 9.279,1004 3.484,1005 6.301,1006 7.362,1007 0.379,1008 10.972,1009 6.131,1010 8.986,1011 1.139,1012 11.024,1013 2.989,1014 6.804,1015 8.023,1016 0.268,1017 12.937,1018 6.545,1019 10.37,1020 1,1021 12.815,1022 2.577,1023 8.263,1024 9.887,1025 0.239,1026 15.499,1027 8.001,1028 11.778,1029 0.903,1030 14.635,1031 2.372,1032 9.133,1033 10.965,1034 0.188,1035 17.757,1036 8.795,1037 13.202,1038 0.732,1039 16.476,1040 2.112,1041 10.394,1042 12.603,1043 0.156,1044 20.211,1045 10.037,1046 3.284,1047 0.618,1048 18.332,1049 1.739,1050 11.423,1051 13.889,1052 0.125,1053 22.578,1054 11.002,1055 3.118,1056 11.783,1057 20.201,1058 1.44,1059 12.611,1060 15.434,1061 0.102,1062 25.01,1063 12.16,1064 2.779,1065 10.431,1066 22.078,1067 4.518,1068 13.711,1069 16.823,1070 0.082,1071 27.421,1072 13.204,1073 2.752,1074 8.884,1075 23.962,1076 3.776,1077 14.876,1078 18.332,1079 0.066,1080 29.855,1081 14.33,1082 2.407,1083 8.537,1084 25.853,1085 3.731,1086 16.008,1087 19.774,1088 0.054,1089 32.286,1090 15.41,1091 2.03,1092 6.872,1093 27.748,1094 3.274,1095 17.168,1096 21.271,1097 0.043,1098 34.726,1099 16.525,1100 1.776,1101 6,1102 29.648,1103 2.812,1104 18.317,1105 22.741,1106 0.035,1107 37.168,1108 17.623,1109 17671,1110 28466,1111 25.424,1112 40.802,1113 55.738,1114 55.604,1115 55.948,1116 55.356,1117 55.212,1118 70.781,1119 1.6,1120 159.136,1121 52.863,1122 5.568,1123 5.694,1124 6.662,1125 5.287,1126 5.284,1127 7.518,1128 1.2,1129 18.447,1130 5.081,1131 11.083,1132 1.506,1133 1.503,1134 1.512,1135 1.496,1136 1.492,1137 1.913,1138 0.043,1139 4.301,1140 1.429,1141 4.155,1142 4.193,1143 4.114,1144 4.062,1145 8.201,1146 4.07,1147 3.968,1148 4.01,1149 3.897,1150 3.881,1151 8.188,1152 3.878,1153 3.856,1154 3.913,1155 3.791,1156 3.72,1157 5.135,1158 3.722,1159 3.823,1160 3.889,1161 3.759,1162 3.588,1163 4.927,1164 3.625,1165 3.564,1166 3.63,1167 3.428,1168 3.41,1169 4.648,1170 3.409,1171 3.357,1172 3.425,1173 3.237,1174 3.209,1175 4.306,1176 3.204,1177 3.243,1178 3.318,1179 3.091,1180 3.082,1181 4.246,1182 3.076,1183 3.111,1184 3.206,1185 2.887,1186 2.941,1187 3.949,1188 2.91,1189 0.123,1190 0.1,1191 0.188,1192 0.114,1193 0.089,1194 4.568,1195 0.122,1196 3.694,1197 0.022,1198 6.973,1199 0.318,1200 4.227,1201 0.083,1202 3.284,1203 4.518,1204 0.8,1205 11.783,1206 3.081,1207 1.962,1208 1.937,1209 2.09,1210 2.072,1211 1.45,1212 2.08,1213 1.935,1214 1.903,1215 2.041,1216 2.048,1217 1.291,1218 2.046,1219 1.832,1220 1.782,1221 1.99,1222 1.975,1223 1.177,1224 1.983,1225 1.669,1226 1.616,1227 1.873,1228 1.832,1229 1.104,1230 1.849,1231 1.432,1232 1.362,1233 1.658,1234 1.675,1235 0.873,1236 1.661,1237 1.382,1238 1.316,1239 1.563,1240 1.592,1241 0.825,1242 1.596,1243 1.259,1244 1.189,1245 1.513,1246 1.456,1247 0.715,1248 1.481,1249 1.153,1250 1.064,1251 1.475,1252 1.442,1253 0.58,1254 1.429,1255 4.317,1257 5.645,1258 3.045,1259 7.16,1260 5.283,1261 8.757,1262 7.286,1263 10.397,1267 29.111,1271 6.384,1276 2.359,1277 -1.186,1280 38.722,1281 92.458,1282 220.476,1283 285.244,1284 321.65,1285 333.16,1286 333.16,1287 64.806,1288 8.252,1289 49.74,1290 49.74,1291 28,1292 12.694,1293 4.459,1294 3.524,1295 48.294,1296 180,1297 152,1298 0.129,1299 233.226,1300 396.34,1301 560.831,1302 55305,1303 3.2,1304 22.675,1305 0.687,1306 0.566,1307 20.882,1308 18.682,1309 16.095,1310 0.435,1311 0.316,1312 11.538,1313 15.468,1314 11.343,1315 9.3,1316 15.348,1317 11.694,1318 14.624,1319 0.281,1320 0.175,1321 13.278,1322 9.1,1323 12.576,1324 0.185,1325 0.102,1326 11.53,1327 6.941,1328 10.033,1329 0.118,1330 0.057,1331 9.52,1332 4.848,1333 7.822,1334 0.076,1335 0.034,1336 7.34,1337 3.479,1338 0.211,1339 100.828,1340 0.198,1341 31.591,1342 0.327,1343 178,1344 545.136,1345 195.929,1346 482.378,1347 652.54,1348 452,1349 209,1350 479.03,1351 227.03,1352 474.047,1353 689.33,1354 447,1355 9.097} {0 CHEMBL67684,1 1.407,2 14.909,3 4.963,4 24.626,5 133.327,6 6.856,7 0.568,8 4.258,9 4.396,10 3.768,11 3.807,12 5.248,13 3.765,14 4.84,15 5.035,16 4.136,17 4.243,18 5.763,19 4.175,20 5.149,21 5.387,22 4.128,23 4.41,24 6.027,25 4.289,26 5.258,27 5.524,28 4.066,29 4.431,30 6.093,31 4.273,32 5.268,33 5.562,34 3.996,35 4.368,36 6.036,37 4.198,38 5.168,39 5.456,40 3.967,41 4.276,42 5.986,43 4.127,44 5.079,45 5.361,46 3.895,47 4.195,48 5.906,49 4.048,50 4.995,51 5.282,52 3.682,53 4.094,54 5.76,55 3.925,56 0.073,57 1.051,58 14.714,59 6.129,60 12.603,61 8.577,62 0.23,63 1.776,64 27.83,65 10.595,66 19.6,67 14.977,68 0.358,69 2.267,70 39.667,71 15.096,72 46.504,73 20.832,74 0.428,75 2.364,76 44.732,77 16.946,78 56.321,79 24.002,80 0.387,81 2.25,82 45.719,83 16.779,84 53.119,85 24.285,86 0.396,87 2.109,88 41.566,89 14.693,90 50.925,91 21.185,92 0.389,93 1.935,94 37.885,95 13.249,96 47.857,97 19.186,98 0.374,99 1.71,100 34.83,101 11.824,102 41.001,103 17.489,104 5,105 52,106 0.223,107 0.546,108 0.735,109 0.82,110 0.84,111 0.84,112 3.531,113 0.974,114 -6.42,115 -6.25,116 -5.8,119 41.5,120 1,121 5,122 1,125 3,129 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 14,171 2,172 5,176 3,178 19,182 3,186 3,189 16,193 7,197 1,199 14,203 7,206 1,211 10,215 6,218 1,222 8,226 5,229 2,233 6,236 1,237 5,242 2,244 6,249 1,256 8,259 1928,260 22.637,261 22.637,262 22.637,263 22.637,264 22.637,265 20.223,266 25.352,267 13.384,268 23.037,269 18.275,270 18.275,271 18.275,272 18.275,273 18.275,274 14.716,275 25.93,276 6.36,277 18.96,278 4.615,279 2.573,280 1.381,281 0.846,282 0.719,283 0.719,284 4.24,289 1,290 1096,291 3.674,294 179.739,295 342.633,298 153.567,302 2.287,303 23.244,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 70,315 492,316 4.568,317 3.708,318 7.002,319 4.257,320 3.309,321 4.518,322 0.8,323 11.926,324 3.123,325 4.321,326 3.196,327 6.566,328 4.099,329 3.118,330 3.731,332 10.431,333 3.062,334 4.129,335 2.973,336 6.095,337 3.714,338 2.753,339 3.557,341 8.884,342 2.697,343 3.991,344 2.885,345 5.988,346 3.689,347 2.721,348 3.261,350 8.439,351 2.577,352 3.458,353 2.755,354 5.309,355 3.322,356 2.401,357 2.812,359 6.87,360 2.21,361 3.379,362 2.184,363 5.126,364 3.009,365 2.03,366 2.593,368 6,369 1.981,370 3.246,371 1.795,372 4.514,373 2.747,374 1.776,375 2.413,377 4.655,378 1.743,379 3.085,380 1.793,381 4.307,382 2.73,383 1.748,384 2.26,386 4.057,387 1.69,388 2.743,389 1.377,390 4.134,391 2.322,392 1.335,393 1.848,395 3.483,396 1.316,397 2.5,398 1.18,399 3.802,400 2.113,401 1.143,402 1.5,404 2.614,405 1.107,406 2.433,407 1.077,408 3.591,409 2.039,410 1.047,411 1.411,413 2.477,414 1.037,415 2.36,416 1.069,417 3.459,418 2,419 1,420 1.327,422 2.372,423 1,424 2.259,425 1,426 3.318,427 1.984,428 1,429 1.201,431 2.136,432 0.983,433 2.118,434 0.944,435 3.247,436 1.863,437 0.898,438 1,440 2.101,441 0.864,442 2,443 0.7,444 3.189,445 1.568,446 0.618,447 0.927,449 1.483,450 0.583,451 15.786,452 0.478,453 0.749,454 0.023,455 39.25,456 1.189,457 18,458 0.545,459 21.25,460 0.644,461 33.074,462 1.002,463 35.814,464 0.551,465 27.096,466 0.821,467 7.267,468 0.22,469 8.828,470 0.268,471 0.05,472 0.032,473 0.241,474 1,479 0.652,480 1.212,481 0.84,482 1.117,483 0.557,484 1.023,485 0.92,486 1.081,487 0.95,488 1.027,489 0.76,490 0.995,491 1.363,492 1.142,493 1.141,494 1.097,495 1.518,496 1.099,497 1.018,498 1.069,499 1.066,500 1.118,501 1.187,502 1.111,503 0.851,504 0.962,505 0.907,506 0.979,507 0.914,508 0.961,509 1.091,510 1.018,511 0.95,512 0.959,513 1.142,514 0.944,515 1.08,516 1.028,517 0.992,518 0.996,519 1.132,520 0.988,521 1.072,522 0.912,523 1.112,524 0.99,525 1.011,526 1.041,527 6.5,528 0.148,529 4,530 1.757,531 1.548,532 1.021,533 0.547,534 0.333,535 0.258,536 0.208,537 19077,538 42719,539 2.161,540 49.2,541 6,542 14,543 1,544 2,545 1,547 4,548 4,550 1.745,551 2.073,552 3.841,553 -0.412,559 91.462,560 1.407,561 3.449,562 4.641,563 5.176,564 5.303,565 5.303,566 3.279,567 4.56,568 5.018,569 4.042,570 2134.02,571 8.746,572 34118.9,577 391.454,578 1.284,579 4.993,580 0.176,581 0.005,582 0.077,583 0.036,584 0.035,585 0.025,586 0.014,587 0.009,588 0.009,589 0.008,590 0.393,591 0.33,592 0.75,593 0.398,594 179.764,595 0.062,596 -0.093,597 0.073,598 -0.031,599 0.01,600 0.01,601 0.002,602 0.007,603 0.005,604 0.003,605 0.019,606 0.004,607 -0.145,608 -0.011,609 -0.148,610 -0.062,611 -0.126,612 -0.097,613 -0.001,614 -0.056,615 -0.085,616 -0.099,617 -0.027,618 -0.104,619 0.032,620 -0.05,621 0.073,622 0.009,623 0.028,624 0.038,625 -0.013,626 -0.035,627 0.051,628 0.02,630 0.039,631 -0.003,632 -0.041,633 0.008,634 -0.023,635 -0.031,636 -0.011,637 -0.1,638 0.025,639 -0.121,640 -0.037,641 -0.109,642 -0.073,643 2.29,644 7.515,645 0.788,646 39.095,647 0.991,648 1.133,649 5.188,650 26.915,651 0.656,652 3.638,653 3.97,654 4.234,655 4.477,656 4.654,657 4.71,658 4.828,659 4.934,660 4.997,661 5.037,662 8.739,663 0.613,664 445.64,665 3.638,666 5.187,667 6.038,668 6.917,669 7.781,670 8.663,671 9.534,672 10.417,673 11.291,674 12.176,675 7.7,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 65,716 21,717 2,718 37,720 69,721 27,722 16,723 4,724 8,730 5,731 6,736 1,740 2,741 1,743 5,745 16,746 11,747 2,748 1,762 1,764 32,765 4,766 1,767 6,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,823 1,825 1,827 33,833 8,837 1,838 1,839 1,844 1,846 1,854 15.917,855 11.693,856 7.153,857 4.185,858 3.505,859 1.427,860 1.004,861 6.504,862 11.718,863 3.882,864 4.466,865 5.042,866 5.613,867 6.045,868 6.364,869 6.804,870 7.209,871 7.409,872 7.617,873 0.9,874 49,875 12.301,877 5.308,878 7.543,879 24.206,881 20.697,883 2.043,884 67.417,888 364.904,889 143.755,890 55.135,893 14.96,895 143.755,896 364.904,897 70.095,898 8.825,899 18.99,900 84.857,901 74.105,902 33.51,903 28.875,904 329.591,906 364.904,907 198.89,908 14.96,911 285.695,912 94.169,915 66.861,916 98.702,917 33.326,919 379.864,920 55.135,921 143.755,924 364.904,925 32.835,926 115.943,927 16.786,928 48.286,929 364.904,930 70.095,931 143.755,933 0.583,934 0.339,935 0.18,936 0.093,937 26,938 10,939 0.116,940 8,941 1,942 1.077,943 4.633,944 299.158,945 0.077,946 26,947 154.465,951 22.158,952 9.686,953 5.141,954 2.395,955 51.41,956 22.262,957 7.808,958 3.388,961 3.63,962 1.922,963 16.786,964 578.754,965 47.5,975 64.392,976 73.644,977 0.234,978 0.573,979 0.771,980 0.859,981 0.881,982 0.881,983 5.125,984 1.748,985 6.033,986 4.655,987 4.654,988 5.153,989 0.673,990 6.858,991 4.583,992 6.321,993 1.335,994 7.601,995 4.057,996 4.29,997 4.879,998 0.325,999 7.98,1000 4.145,1001 7.626,1002 1.143,1003 9.28,1004 3.483,1005 6.301,1006 7.33,1007 0.379,1008 10.991,1009 6.153,1010 8.97,1011 1.047,1012 11.027,1013 2.614,1014 6.804,1015 7.958,1016 0.268,1017 12.956,1018 6.581,1019 10.349,1020 1,1021 12.818,1022 2.477,1023 8.266,1024 9.84,1025 0.239,1026 15.536,1027 8.035,1028 11.753,1029 1,1030 14.641,1031 2.372,1032 9.139,1033 10.898,1034 0.188,1035 17.801,1036 8.841,1037 13.174,1038 0.898,1039 16.485,1040 2.136,1041 10.404,1042 12.548,1043 0.156,1044 20.271,1045 10.085,1046 3.309,1047 0.618,1048 18.344,1049 2.101,1050 11.438,1051 13.826,1052 0.125,1053 22.648,1054 11.062,1055 3.118,1056 11.926,1057 20.215,1058 1.483,1059 12.632,1060 15.379,1061 0.102,1062 25.096,1063 12.224,1064 2.753,1065 10.431,1066 22.096,1067 4.518,1068 13.739,1069 16.768,1070 0.082,1071 27.519,1072 13.278,1073 2.721,1074 8.884,1075 23.984,1076 3.731,1077 14.911,1078 18.283,1079 0.066,1080 29.967,1081 14.411,1082 2.401,1083 8.439,1084 25.878,1085 3.557,1086 16.052,1087 19.728,1088 0.054,1089 32.412,1090 15.5,1091 2.03,1092 6.87,1093 27.777,1094 3.261,1095 17.219,1096 21.231,1097 0.043,1098 34.866,1099 16.624,1100 1.776,1101 6,1102 29.681,1103 2.812,1104 18.376,1105 22.704,1106 0.035,1107 37.321,1108 17.731,1109 17473,1110 26338,1111 25.424,1112 42.626,1113 56.1,1114 55.295,1115 55.899,1116 55.488,1117 55.428,1118 70.82,1119 1.6,1120 159.597,1121 53.452,1122 5.568,1123 5.708,1124 6.804,1125 5.316,1126 5.309,1127 7.518,1128 1.2,1129 18.647,1130 5.123,1131 10.843,1132 1.516,1133 1.494,1134 1.511,1135 1.5,1136 1.498,1137 1.914,1138 0.043,1139 4.313,1140 1.445,1141 4.155,1142 4.193,1143 4.114,1144 4.063,1145 8.188,1146 4.071,1147 3.976,1148 4.019,1149 3.893,1150 3.9,1151 5.135,1152 3.892,1153 3.852,1154 3.912,1155 3.79,1156 3.721,1157 4.927,1158 3.721,1159 3.822,1160 3.888,1161 3.749,1162 3.588,1163 4.754,1164 3.625,1165 3.574,1166 3.64,1167 3.439,1168 3.423,1169 4.308,1170 3.421,1171 3.425,1172 3.495,1173 3.276,1174 3.292,1175 4.247,1176 3.278,1177 3.275,1178 3.344,1179 3.152,1180 3.112,1181 4.057,1182 3.114,1183 3.111,1184 3.206,1185 2.928,1186 2.941,1187 3.898,1188 2.91,1189 0.123,1190 0.1,1191 0.189,1192 0.115,1193 0.089,1194 4.568,1195 0.122,1196 3.708,1197 0.022,1198 7.002,1199 0.322,1200 4.257,1201 0.084,1202 3.309,1203 4.518,1204 0.8,1205 11.926,1206 3.123,1207 1.963,1208 1.937,1209 2.108,1210 2.078,1211 1.46,1212 2.089,1213 1.954,1214 1.922,1215 2.047,1216 2.049,1217 1.3,1218 2.048,1219 1.835,1220 1.783,1221 2.005,1222 1.98,1223 1.208,1224 1.994,1225 1.671,1226 1.618,1227 1.877,1228 1.833,1229 1.109,1230 1.85,1231 1.488,1232 1.422,1233 1.746,1234 1.688,1235 0.909,1236 1.701,1237 1.401,1238 1.33,1239 1.582,1240 1.638,1241 0.825,1242 1.633,1243 1.305,1244 1.238,1245 1.513,1246 1.506,1247 0.737,1248 1.517,1249 1.153,1250 1.064,1251 1.486,1252 1.442,1253 0.582,1254 1.429,1255 4.317,1257 5.645,1258 3.045,1259 7.16,1260 5.283,1261 8.757,1262 7.286,1263 10.398,1265 2.152,1267 15.515,1271 6.695,1275 0.257,1276 2.433,1277 -1.04,1280 39.865,1281 91.462,1282 224.207,1283 301.679,1284 336.434,1285 344.699,1286 344.699,1287 57.35,1288 8.213,1289 49.74,1290 49.74,1291 28,1292 12.711,1293 4.459,1294 3.524,1295 48.277,1296 178,1297 156,1298 0.13,1299 241.62,1300 407.57,1301 581.312,1302 51848,1303 1.5,1304 22.675,1305 0.687,1306 0.583,1307 21.753,1308 19.252,1309 16.095,1310 0.435,1311 0.325,1312 11.878,1313 15.58,1314 11.6,1315 9.573,1316 15.759,1317 12.009,1318 14.643,1319 0.282,1320 0.183,1321 13.808,1322 9.525,1323 12.438,1324 0.183,1325 0.106,1326 11.982,1327 7.181,1328 10.279,1329 0.118,1330 0.06,1331 9.941,1332 5.191,1333 7.88,1334 0.076,1335 0.035,1336 7.584,1337 3.653,1338 0.214,1339 99.962,1340 0.198,1341 31.527,1342 0.333,1343 178,1344 457.024,1345 192.098,1346 427.091,1347 590.73,1348 402,1349 209,1350 443.697,1351 223.537,1352 446.636,1353 647.98,1354 421,1355 8.585} {0 CHEMBL68019,1 1.491,2 14.727,3 5.011,4 25.111,5 129.053,6 7.252,7 0.568,8 4.224,9 4.357,10 3.776,11 3.765,12 5.256,13 3.738,14 4.808,15 4.994,16 4.165,17 4.197,18 5.943,19 4.145,20 5.108,21 5.345,22 4.109,23 4.346,24 6.065,25 4.233,26 5.182,27 5.447,28 4.099,29 4.335,30 6.06,31 4.204,32 5.2,33 5.482,34 4.127,35 4.237,36 6.245,37 4.137,38 5.051,39 5.312,40 4.025,41 4.158,42 6.097,43 4.074,44 4.985,45 5.237,46 3.995,47 4.137,48 5.982,49 4.03,50 5.002,51 5.282,52 3.835,53 4.049,54 5.975,55 3.931,56 0.036,57 1.085,58 13.146,59 5.817,60 14.397,61 7.763,62 0.39,63 1.935,64 26.125,65 10.056,66 62.018,67 13.586,68 0.526,69 2.244,70 38.049,71 14.223,72 63.555,73 19.199,74 0.239,75 2.267,76 41.28,77 15.571,78 47.101,79 21.872,80 0.684,81 2.486,82 45.18,83 15.077,84 99.47,85 20.06,86 0.563,87 2.185,88 38.145,89 12.627,90 86.034,91 16.345,92 0.445,93 1.973,94 34.135,95 12.146,96 57.681,97 16.809,98 0.473,99 1.919,100 36.319,101 11.689,102 72.038,103 16.112,104 5,105 52,106 0.238,107 0.562,108 0.741,109 0.831,110 0.838,111 0.838,112 3.531,113 0.944,114 -6.32,115 -6.15,116 -5.72,119 41.9,121 5,122 1,125 3,130 1,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 15,171 2,172 4,176 3,178 17,182 4,186 3,189 14,193 7,199 9,203 7,206 1,211 10,215 4,218 1,222 8,226 5,229 2,233 6,236 1,237 3,242 2,244 5,249 1,254 1,256 6,259 2099,260 22.532,261 22.532,262 22.532,263 22.532,264 22.532,265 20.093,266 21.593,267 13.395,268 23.01,269 18.334,270 18.334,271 18.334,272 18.334,273 18.334,274 14.768,275 18.501,276 6.45,277 19.173,278 4.463,279 2.436,280 1.319,281 0.754,282 0.71,283 0.71,284 4.24,288 1,289 1,290 1084,291 3.742,294 176.999,295 342.656,298 150.769,302 2.419,303 33.816,306 0.75,307 0.83,308 0.83,309 0.7,310 0.5,311 0.83,312 1,313 0.78,314 71.5,315 486,316 4.586,317 4.023,318 6.815,319 4.203,320 3.282,321 4.521,322 1.51,323 11.338,324 3.096,325 4.226,326 3.17,327 6.511,328 3.992,329 3.052,330 3.734,331 0.8,332 10.251,333 2.785,334 4.099,335 2.871,336 6.091,337 3.674,338 2.737,339 3.445,341 8.867,342 2.607,343 3.904,344 2.828,345 5.49,346 3.617,347 2.635,348 3.239,350 7.373,351 2.543,352 3.593,353 2.709,354 5.328,355 3.458,356 2.476,357 2.758,359 6.922,360 2.428,361 3.373,362 2.255,363 5.135,364 3.043,365 2.095,366 2.609,368 6.237,369 1.981,370 3.235,371 2.092,372 5.015,373 2.886,374 1.923,375 2.543,377 5.758,378 1.833,379 3.098,380 1.789,381 4.513,382 2.717,383 1.76,384 2.155,386 4.654,387 1.678,388 2.894,389 1.578,390 4.121,391 2.492,392 1.493,393 2.013,395 3.37,396 1.491,397 2.715,398 1.289,399 3.641,400 2.218,401 1.247,402 1.813,404 3.149,405 1.208,406 2.5,407 1.077,408 3.474,409 2,410 1,411 1.5,413 2.275,414 1,415 2.39,416 1,417 3.414,418 1.984,419 1,420 1.34,422 2.155,423 0.983,424 2.118,425 0.978,426 3.318,427 1.888,428 0.927,429 1,431 2.136,432 0.888,433 2.09,434 0.754,435 3.247,436 1.699,437 0.707,438 0.927,440 1.658,441 0.701,442 2,443 0.705,444 3.184,445 1.587,446 0.633,447 0.911,449 1.549,450 0.602,451 15.571,452 0.472,453 0.788,454 0.024,455 39.5,456 1.197,457 18,458 0.545,459 21.5,460 0.652,461 31.784,462 0.963,463 36.029,464 0.581,465 28.911,466 0.876,467 7.526,468 0.228,469 8.529,470 0.258,471 0.037,472 0.032,473 0.244,475 2,479 0.587,480 1.13,481 0.768,482 1.102,483 0.527,484 0.998,485 0.709,486 0.987,487 0.911,488 1.039,489 0.561,490 1.014,491 1.049,492 0.984,493 1.129,494 1.084,495 1.132,496 1.121,497 0.676,498 1.052,499 0.878,500 1.122,501 0.658,502 1.062,503 1.388,504 1.141,505 0.947,506 0.924,507 1.598,508 0.875,509 1.681,510 1.187,511 1.138,512 0.933,513 1.797,514 0.934,515 0.905,516 1.09,517 0.981,518 1.128,519 1.032,520 1.091,521 1.294,522 1.054,523 1.089,524 0.962,525 1.277,526 0.977,527 7,528 0.144,529 3.333,530 1.694,531 1.627,532 1.146,533 0.65,534 0.485,535 0.294,536 0.278,537 18605,538 44895,539 2.161,540 46.8,541 5,542 14,543 1,544 2,545 1,547 4,548 2,550 1.747,551 2.073,552 3.807,553 -0.382,559 92.458,560 1.491,561 3.518,562 4.635,563 5.2,564 5.245,565 5.245,566 3.268,567 4.499,568 5.012,569 4.017,570 2121.09,571 8.752,572 33300.3,574 1,577 369.16,578 1.284,579 4.993,580 0.189,581 0.005,582 0.064,583 0.036,584 0.036,585 0.025,586 0.015,587 0.012,588 0.009,589 0.009,590 0.402,591 0.33,592 0.75,593 0.398,594 178.816,595 0.023,596 -0.087,597 0.063,598 -0.032,599 -0.021,600 0.009,601 0.148,602 0.067,603 -0.003,604 -0.019,605 0.21,606 -0.034,607 -0.041,608 0.063,609 -0.163,610 -0.059,611 -0.078,612 -0.121,613 0.046,614 -0.193,615 0.072,616 -0.117,617 0.06,618 -0.039,619 0.02,620 -0.015,621 0.125,622 0.065,623 -0.033,624 0.103,625 -0.181,626 0.018,627 -0.072,628 0.057,629 -0.164,630 0.024,631 0.104,632 -0.09,633 0.004,634 -0.135,635 -0.003,636 -0.103,637 -0.11,638 -0.035,639 -0.054,640 -0.008,641 -0.07,642 -0.015,643 4.029,644 7.059,645 0.788,646 42.432,647 1,648 1.138,649 5.088,650 25.893,651 0.658,652 3.638,653 3.97,654 4.205,655 4.477,656 4.654,657 4.727,658 4.905,659 5.017,660 5.063,661 5.147,662 8.515,663 0.625,664 449.6,665 3.638,666 5.187,667 6.028,668 6.909,669 7.764,670 8.649,671 9.513,672 10.4,673 11.27,674 12.159,675 8.1,678 1,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 62,716 21,717 2,718 37,720 66,721 26,722 16,723 4,724 8,730 5,731 6,738 1,740 2,741 1,743 6,745 16,746 10,747 1,762 2,764 29,765 5,766 1,767 7,773 5,777 0.8,788 1,792 2,793 3,796 1,815 1,819 4,825 2,827 33,833 8,837 1,838 1,839 1,844 1,846 2,854 15.917,855 10.836,856 7.083,857 3.888,858 3.518,859 1.43,860 1.017,861 6.459,862 11.7,863 3.882,864 4.466,865 5.022,866 5.611,867 6.049,868 6.382,869 6.845,870 7.261,871 7.477,872 7.727,873 0.9,874 47,875 12.432,877 5.542,878 7.725,879 23.852,881 20.38,883 2.225,884 73.417,887 1,888 329.591,889 136.753,890 55.135,893 29.92,895 136.753,896 329.591,897 85.055,899 18.99,900 84.857,901 74.105,902 65.254,903 13.915,904 294.278,906 329.591,907 191.888,908 29.92,911 258.964,912 100.547,914 1.824,915 58.036,916 98.702,917 33.326,919 359.511,920 55.135,921 136.753,924 331.415,925 32.835,926 107.118,927 16.786,928 63.246,929 329.591,930 85.055,931 136.753,933 0.583,934 0.326,935 0.177,936 0.092,937 26,938 10,939 0.121,940 8,941 1,942 1.077,943 4.621,944 301.16,945 0.077,946 26,947 152.465,951 22.096,952 9.646,953 5.444,954 1.678,955 66.371,956 21.172,957 7.65,958 3.133,961 2.856,962 1.774,963 16.786,964 551.399,965 47.5,975 62.021,976 70.569,977 0.25,978 0.591,979 0.778,980 0.873,981 0.881,982 0.881,983 5.125,984 1.76,985 6.023,986 5.758,987 4.654,988 5.153,989 1.875,990 6.832,991 4.566,992 6.321,993 1.493,994 7.577,995 4.654,996 4.29,997 4.879,998 0.325,999 7.881,1000 4.075,1001 7.622,1002 1.247,1003 9.236,1004 3.37,1005 6.286,1006 7.323,1007 2.473,1008 10.885,1009 6.092,1010 8.959,1011 1,1012 10.961,1013 3.149,1014 6.758,1015 7.935,1016 0.268,1017 12.76,1018 6.428,1019 10.33,1020 1,1021 12.729,1022 2.275,1023 8.219,1024 9.823,1025 3.218,1026 15.327,1027 7.896,1028 11.725,1029 0.927,1030 14.525,1031 2.155,1032 9.059,1033 10.874,1034 0.188,1035 17.517,1036 8.613,1037 13.138,1038 0.707,1039 16.343,1040 2.136,1041 10.32,1042 12.529,1043 4.011,1044 19.959,1045 9.856,1046 3.282,1047 0.633,1048 18.176,1049 1.658,1050 11.33,1051 13.806,1052 0.125,1053 22.274,1054 10.762,1055 3.052,1056 11.338,1057 20.021,1058 1.549,1059 12.517,1060 15.364,1061 4.823,1062 24.682,1063 11.91,1064 2.737,1065 10.251,1066 21.877,1067 4.521,1068 13.605,1069 16.754,1070 0.082,1071 27.048,1072 12.911,1073 2.635,1074 8.867,1075 23.74,1076 3.734,1077 14.768,1078 18.273,1079 5.642,1080 29.45,1081 14.024,1082 2.476,1083 7.373,1084 25.609,1085 3.445,1086 15.894,1087 19.721,1088 0.054,1089 31.839,1090 15.074,1091 2.095,1092 6.922,1093 27.484,1094 3.239,1095 17.053,1096 21.226,1097 6.464,1098 34.243,1099 16.176,1100 1.923,1101 6.237,1102 29.364,1103 2.758,1104 18.199,1105 22.702,1106 0.035,1107 36.643,1108 17.253,1109 17043,1110 26745,1111 25.424,1112 40.802,1113 56.181,1114 55.283,1115 55.197,1116 55.469,1117 55.286,1118 70.655,1119 4.62,1120 158.434,1121 52.867,1122 5.586,1123 6.023,1124 6.617,1125 5.263,1126 5.282,1127 7.521,1128 3.02,1129 18.375,1130 5.096,1131 10.373,1132 1.518,1133 1.494,1134 1.492,1135 1.499,1136 1.494,1137 1.91,1138 0.125,1139 4.282,1140 1.429,1141 4.156,1142 4.194,1143 4.117,1144 4.062,1145 8.358,1146 4.071,1147 3.956,1148 4.002,1149 3.864,1150 3.882,1151 7.999,1152 3.872,1153 3.853,1154 3.913,1155 3.797,1156 3.721,1157 5.135,1158 3.718,1159 3.82,1160 3.885,1161 3.739,1162 3.587,1163 4.924,1164 3.626,1165 3.598,1166 3.653,1167 3.521,1168 3.407,1169 4.752,1170 3.426,1171 3.357,1172 3.427,1173 3.229,1174 3.209,1175 4.324,1176 3.203,1177 3.258,1178 3.327,1179 3.144,1180 3.081,1181 4.25,1182 3.086,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.919,1188 2.91,1189 0.124,1190 0.109,1191 0.184,1192 0.114,1193 0.089,1194 4.586,1195 0.122,1196 4.023,1197 0.041,1198 6.815,1199 0.306,1200 4.203,1201 0.084,1202 3.282,1203 4.521,1204 1.51,1205 11.338,1206 3.096,1207 1.96,1208 1.936,1209 2.112,1210 2.072,1211 1.489,1212 2.086,1213 1.943,1214 1.908,1215 2.036,1216 2.047,1217 1.242,1218 2.046,1219 1.838,1220 1.786,1221 2.008,1222 1.974,1223 1.182,1224 1.988,1225 1.653,1226 1.606,1227 1.815,1228 1.835,1229 1.048,1230 1.831,1231 1.43,1232 1.361,1233 1.664,1234 1.676,1235 0.886,1236 1.66,1237 1.382,1238 1.316,1239 1.537,1240 1.591,1241 0.825,1242 1.596,1243 1.24,1244 1.176,1245 1.513,1246 1.459,1247 0.697,1248 1.465,1249 1.153,1250 1.064,1251 1.458,1252 1.442,1253 0.58,1254 1.429,1255 4.317,1257 5.645,1258 3.045,1259 7.151,1260 5.283,1261 8.734,1262 7.286,1263 10.36,1267 30.118,1271 5.249,1275 0.625,1276 1.941,1277 -2.779,1280 38.722,1281 92.458,1282 218.11,1283 287.386,1284 322.405,1285 325.16,1286 325.16,1287 62.434,1288 8.182,1289 49.74,1290 49.74,1291 28,1292 12.693,1293 4.459,1294 3.524,1295 48.178,1296 167,1297 179,1298 0.136,1299 233.226,1300 396.34,1301 560.831,1302 49436,1303 3.2,1304 22.675,1305 0.687,1306 0.565,1307 20.882,1308 18.63,1309 16.056,1310 0.434,1311 0.315,1312 11.492,1313 15.445,1314 11.29,1315 9.283,1316 15.348,1317 11.648,1318 14.92,1319 0.287,1320 0.177,1321 13.278,1322 9.189,1323 11.999,1324 0.182,1325 0.102,1326 11.53,1327 6.763,1328 10.237,1329 0.118,1330 0.057,1331 9.52,1332 4.918,1333 7.895,1334 0.076,1335 0.034,1336 7.34,1337 3.509,1338 0.221,1339 100.475,1340 0.198,1341 31.439,1342 0.352,1343 178,1344 543.136,1345 197.77,1346 480.718,1347 648.79,1348 450,1349 207,1350 474.03,1351 224.974,1352 469.841,1353 686.94,1354 442,1355 7.252} {0 CHEMBL68131,1 1.594,2 11.885,3 3.407,4 11.605,5 102.189,6 7.225,7 0.214,8 4.059,9 4.176,10 3.59,11 3.524,12 5.054,13 3.5,14 4.666,15 4.848,16 3.952,17 3.929,18 5.627,19 3.876,20 4.943,21 5.165,22 4.1,23 4.093,24 5.897,25 4.008,26 4.999,27 5.231,28 4.039,29 4.048,30 5.995,31 3.946,32 4.909,33 5.153,34 4.009,35 3.945,36 5.949,37 3.846,38 4.781,39 5.012,40 3.708,41 3.875,42 5.79,43 3.741,44 4.766,45 5.016,46 3.514,47 3.785,48 5.657,49 3.635,50 4.584,51 4.828,52 3.555,53 3.701,54 5.375,55 3.571,56 0.049,57 0.717,58 12.153,59 5.162,60 7.227,61 6.88,62 0.386,63 1.134,64 25.091,65 8.603,66 30.567,67 11.819,68 0.556,69 1.365,70 35.866,71 11.226,72 45.465,73 15.829,74 0.844,75 1.328,76 40.285,77 11.591,78 69.623,79 16.163,80 0.941,81 1.212,82 37.608,83 10.375,84 74.3,85 14.695,86 0.504,87 1.088,88 31.458,89 9.942,90 64.776,91 13.686,92 0.631,93 1.001,94 33.356,95 9.48,96 62.596,97 13.047,98 0.322,99 0.916,100 25.444,101 8.117,102 28.26,103 11.374,104 20,105 38,106 0.271,107 0.537,108 0.741,109 0.812,110 0.837,111 0.849,112 3.304,113 1.044,114 -3.65,115 -3.62,116 -3.44,119 35.8,120 1,121 4,122 1,125 6,140 1,141 1,142 4,156 1,161 1,162 1,163 1,169 5,171 1,172 7,178 3,181 1,182 8,183 1,184 1,186 2,189 1,191 2,192 2,193 4,194 1,195 1,197 1,199 3,201 1,202 3,203 5,211 6,215 1,217 2,218 2,222 5,225 1,226 5,233 2,237 4,242 1,244 2,246 1,248 1,249 2,254 2,256 1,258 2,259 1040,260 17.629,261 17.629,262 17.629,263 17.629,264 17.629,265 16.68,266 21.763,267 10.605,268 18.221,269 13.755,270 13.755,271 13.755,272 13.755,273 13.755,274 12.205,275 23.359,276 4.976,277 14.74,278 4.134,279 2.572,280 1.368,281 0.948,282 0.807,283 0.731,284 3.986,285 1,287 1,288 1,289 1,290 655,291 3.391,295 228.558,299 120.261,302 1.902,303 32.696,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 57.333,315 309,316 4.588,317 3.731,318 6.841,319 4.185,320 3.233,321 4.31,322 1.674,323 11.302,324 3.069,325 3.919,326 3.371,327 6.074,328 3.635,329 2.678,330 3.29,331 0.86,332 8.467,333 2.565,334 3.654,335 2.883,336 5.511,337 3.528,338 2.57,339 2.832,340 0.86,341 7.391,342 2.444,343 3.539,344 2.861,345 5.469,346 3.172,347 2.266,348 2.653,349 0.8,350 6.771,351 2.086,352 3.223,353 2.413,354 5.132,355 3.114,356 2.188,357 2.246,359 6.37,360 1.929,361 2.956,362 2.297,363 4.624,364 2.549,365 1.624,366 2.017,368 4.513,369 1.477,370 2.493,371 1.901,372 3.726,373 2.408,374 1.428,375 1.492,377 3.055,378 1.394,379 2.427,380 1.558,381 3.655,382 2.32,383 1.407,384 1.425,386 2.682,387 1.257,388 2.039,389 1.535,390 3.455,391 1.984,392 1,393 1.007,395 2.381,396 0.983,397 2,398 1.388,399 3.414,400 1.799,401 0.953,402 1,404 2.275,405 0.799,406 1.769,407 1.077,408 3.296,409 1.58,410 0.652,411 0.697,413 1.481,414 0.59,415 1.558,416 1.043,417 2.909,418 1.282,419 0.366,420 0.394,422 0.768,423 0.315,424 1.304,425 0.473,426 2.594,427 1.133,428 0.2,429 0.221,431 0.372,432 0.174,433 0.827,434 0.118,435 2.453,436 0.569,437 -0.406,438 -0.424,440 -0.794,441 -0.35,442 0.672,443 0.079,444 2.106,445 0.429,446 -0.446,447 -0.518,449 -1.13,450 -0.404,451 12.348,452 0.475,453 0.575,454 0.022,455 26,456 1,457 9,458 0.346,459 17,460 0.654,461 27.151,462 1.044,463 30.852,464 0.582,465 18.18,466 0.699,467 4.683,468 0.18,469 7.914,470 0.304,471 0.158,473 0.316,479 0.815,480 1.486,481 0.714,482 1.229,483 0.684,484 1.091,485 1.012,486 1.158,487 0.784,488 0.986,489 0.602,490 0.964,491 0.854,492 1.093,493 0.808,494 1.023,495 0.606,496 0.964,497 1.005,498 1.017,499 0.917,500 0.999,501 1.037,502 0.968,503 0.795,504 0.866,505 0.745,506 0.893,507 0.927,508 0.866,509 1.02,510 1.06,511 1.026,512 1.099,513 1.535,514 1.111,515 1.292,516 0.835,517 1.176,518 0.926,519 1.657,520 0.976,521 0.934,522 1.062,523 0.892,524 0.999,525 0.68,526 0.994,527 4.5,528 0.128,529 3.111,530 1.563,531 1.72,532 0.875,533 0.424,534 0.311,535 0.222,536 0.159,537 8152,538 19936,539 2.037,540 50.9,541 5,542 13,545 2,547 7,550 1.687,551 1.902,552 3.479,553 0.289,555 1,559 84.487,560 1.594,561 3.156,562 4.359,563 4.78,564 4.921,565 4.997,566 2.955,567 4.085,568 4.668,569 3.67,570 1192.83,571 8.07,572 15211.3,574 1,576 1,577 303.58,578 1.42,579 4.628,580 0.161,581 0.008,582 0.082,583 0.038,584 0.048,585 0.027,586 0.016,587 0.014,588 0.01,589 0.008,590 0.411,591 0.33,592 1,593 1.139,594 128.827,595 -0.043,596 -0.147,597 0.035,598 -0.084,599 -0.03,600 -0.008,601 -0.026,602 -0.008,603 0.039,604 0.038,605 0.088,606 0.039,607 0.082,608 -0.048,609 0.098,610 -0.027,611 0.147,612 0.029,613 0.11,614 -0.056,615 0.058,616 -0.031,617 0.082,618 -0.002,619 0.275,620 0.088,621 0.202,622 0.054,623 0.223,624 0.092,625 -0.036,626 -0.082,627 -0.077,628 -0.1,629 -0.051,630 -0.118,631 -0.164,632 0.058,633 -0.132,634 0.047,635 -0.232,636 -0.007,637 -0.065,638 -0.081,639 0.026,640 -0.004,641 -0.05,642 0.005,643 2.109,644 5.561,645 0.615,646 24.462,647 1.006,648 1.135,649 2.417,650 5.842,651 0.634,652 3.367,653 3.664,654 3.932,655 4.159,656 4.419,657 4.407,658 4.419,659 4.443,660 4.489,661 4.443,662 6.803,663 0.596,664 382.93,665 3.367,666 4.89,667 5.733,668 6.6,669 7.467,670 8.342,671 9.218,672 10.097,673 10.978,674 11.861,675 3.8,678 1,679 1,688 1,693 5,695 6,704 1,705 1,712 2,713 1,714 53,716 7,717 1,718 28,720 55,721 19,722 6,723 5,724 1,725 1,730 3,731 4,732 1,736 1,740 2,741 1,743 4,745 7,746 12,747 1,750 1,755 1,759 1,760 1,761 1,764 27,765 6,766 2,767 7,768 1,773 2,777 0.667,778 4,793 3,797 1,815 1,819 2,823 1,824 1,827 26,828 1,833 10,835 3,837 1,838 1,846 1,847 7.5,850 1,852 3,854 13.667,855 9.51,856 5.889,857 3.565,858 1.246,859 1.174,860 0.939,861 7.034,862 8.401,863 3.497,864 3.98,865 4.474,866 4.943,867 5.437,868 5.599,869 5.685,870 5.672,871 5.782,872 5.72,873 0.875,874 41,875 9.708,877 4.109,878 7.729,879 18.775,881 15.473,883 2.229,884 57.944,886 1,887 1,888 294.278,889 75.655,890 36.022,891 39.149,892 58.145,895 75.655,896 391.571,897 36.022,898 8.825,899 30.232,900 42.373,901 32.336,902 56.054,904 294.278,905 39.149,906 294.278,907 111.676,908 58.145,909 39.149,911 211.88,912 140.542,915 42.182,916 69.495,917 39.149,919 294.278,920 94.166,921 114.804,924 294.278,925 57.354,926 21.426,928 130.19,929 294.278,930 94.166,931 114.804,933 0.571,934 0.338,935 0.18,936 0.106,937 17,938 8,939 0.127,940 7,941 1,942 1.125,943 3.809,944 209.781,945 0.125,946 16,947 118.211,951 19.74,952 9.265,953 4.841,955 94.166,956 1.5,961 1.5,963 32.897,964 503.247,965 32,970 12.561,974 -0.443,975 53.323,976 60.176,977 0.278,978 0.551,979 0.761,980 0.834,981 0.859,982 0.872,983 4.749,984 1.407,985 5.707,986 3.055,987 4.344,988 4.663,989 2.354,990 6.509,991 4.211,992 5.901,993 1,994 7.263,995 2.682,996 3.892,997 4.527,998 0.325,999 7.42,1000 3.702,1001 7.192,1002 0.953,1003 8.925,1004 2.381,1005 5.922,1006 6.737,1007 2.964,1008 10.54,1009 5.684,1010 8.52,1011 0.652,1012 10.65,1013 2.275,1014 6.312,1015 7.485,1016 0.268,1017 12.306,1018 6.023,1019 9.889,1020 0.366,1021 12.416,1022 1.481,1023 7.798,1024 9.215,1025 3.849,1026 14.964,1027 7.465,1028 11.286,1029 0.2,1030 14.21,1031 0.768,1032 8.585,1033 10.35,1034 0.188,1035 17.095,1036 8.203,1037 12.704,1038 -0.406,1039 16.027,1040 0.372,1041 9.857,1042 11.914,1043 4.836,1044 19.601,1045 9.431,1046 3.233,1047 -0.446,1048 17.859,1049 -0.794,1050 10.838,1051 13.223,1052 0.125,1053 21.895,1054 10.362,1055 2.678,1056 11.302,1057 19.706,1058 -1.13,1059 12.029,1060 14.726,1061 5.853,1062 24.348,1063 11.507,1064 2.57,1065 8.467,1066 21.563,1067 4.31,1068 13.104,1069 16.114,1070 0.082,1071 26.715,1072 12.53,1073 2.266,1074 7.391,1075 23.43,1076 3.29,1077 14.268,1078 17.592,1079 6.88,1080 29.149,1081 13.646,1082 2.188,1083 6.771,1084 25.305,1085 2.832,1086 15.39,1087 19.017,1088 0.054,1089 31.547,1090 14.715,1091 1.624,1092 6.37,1093 27.187,1094 2.653,1095 16.549,1096 20.485,1097 7.91,1098 33.975,1099 15.824,1100 1.428,1101 4.513,1102 29.075,1103 2.246,1104 17.693,1105 21.928,1106 0.035,1107 36.387,1108 16.915,1109 8008,1110 12876,1111 18.493,1112 33.586,1113 41.224,1114 43.11,1115 43.069,1116 41.237,1117 41.131,1118 47.167,1119 8.389,1120 115.654,1121 38.161,1122 5.588,1123 5.731,1124 6.705,1125 5.326,1126 5.233,1127 7.31,1128 3.349,1129 18.871,1130 5.069,1131 13.199,1132 1.472,1133 1.54,1134 1.538,1135 1.473,1136 1.469,1137 1.685,1138 0.3,1139 4.131,1140 1.363,1141 3.993,1142 4.007,1143 4.059,1144 3.888,1145 7.433,1146 3.9,1147 3.884,1148 3.936,1149 3.77,1150 3.742,1151 5.174,1152 3.738,1153 3.638,1154 3.707,1155 3.544,1156 3.497,1157 4.762,1158 3.477,1159 3.483,1160 3.519,1161 3.469,1162 3.265,1163 4.651,1164 3.277,1165 3.386,1166 3.43,1167 3.357,1168 3.144,1169 4.47,1170 3.175,1171 3.21,1172 3.276,1173 3.08,1174 3.005,1175 4.277,1176 3.008,1177 3.111,1178 3.206,1179 2.988,1180 2.941,1181 4.169,1182 2.91,1183 2.989,1184 3.087,1185 2.866,1186 2.765,1187 4.067,1188 2.745,1189 0.164,1190 0.133,1191 0.244,1192 0.149,1193 0.115,1194 4.588,1195 0.154,1196 3.731,1197 0.06,1198 6.841,1199 0.404,1200 4.185,1201 0.11,1202 3.233,1203 4.31,1204 1.674,1205 11.302,1206 3.069,1207 1.903,1208 1.898,1209 2.078,1210 2.055,1211 1.459,1212 2.063,1213 1.86,1214 1.804,1215 1.947,1216 2.019,1217 1.243,1218 2.001,1219 1.658,1220 1.59,1221 1.932,1222 1.837,1223 1.115,1224 1.875,1225 1.421,1226 1.376,1227 1.67,1228 1.663,1229 0.917,1230 1.664,1231 1.303,1232 1.246,1233 1.596,1234 1.573,1235 0.838,1236 1.576,1237 1.153,1238 1.098,1239 1.513,1240 1.423,1241 0.825,1242 1.429,1243 1.147,1244 1.064,1245 1.428,1246 1.376,1247 0.639,1248 1.421,1249 0.99,1250 0.9,1251 1.268,1252 1.27,1253 0.291,1254 1.296,1255 4.043,1257 5.342,1259 6.851,1261 8.461,1263 10.13,1265 2.211,1266 6.128,1269 5.917,1271 9.031,1273 16.653,1275 0.397,1276 2.489,1280 31.578,1281 84.487,1282 167.276,1283 231.05,1284 253.315,1285 260.825,1286 264.825,1287 57.243,1288 7.155,1289 74.02,1290 74.02,1291 18,1292 12.396,1293 3,1294 2.322,1295 44.627,1296 105,1297 132,1298 0.206,1299 197.042,1300 351.09,1301 472.542,1302 12352,1303 1.9,1304 18.518,1305 0.712,1306 0.616,1307 19.018,1308 16.017,1309 12.597,1310 0.45,1311 0.348,1312 9.242,1313 11.72,1314 9.031,1315 7.446,1316 12.885,1317 9.746,1318 10.932,1319 0.288,1320 0.193,1321 11.303,1322 7.319,1323 9.335,1324 0.187,1325 0.106,1326 9.716,1327 5.318,1328 7.282,1329 0.116,1330 0.057,1331 7.542,1332 3.573,1333 6.296,1334 0.077,1335 0.033,1336 6.619,1337 2.729,1338 0.33,1339 82.958,1340 0.233,1341 25.42,1342 0.549,1343 132,1344 412.103,1345 163.581,1346 407.612,1347 538.53,1348 382,1349 154,1350 361.82,1351 183.596,1352 367.961,1353 547.62,1354 346,1355 5} {0 CHEMBL69385,1 1.471,2 13.793,3 2.554,4 6.521,5 115.081,6 6.82,7 0.375,8 4.149,9 4.274,10 3.645,11 3.648,12 5.157,13 3.621,14 4.733,15 4.919,16 3.986,17 4.054,18 5.705,19 4.005,20 4.995,21 5.209,22 4.055,23 4.255,24 5.893,25 4.163,26 5.089,27 5.321,28 3.933,29 4.29,30 5.929,31 4.143,32 5.148,33 5.437,34 3.814,35 4.217,36 5.86,37 4.034,38 5.016,39 5.306,40 3.743,41 4.025,42 5.758,43 3.881,44 4.829,45 5.071,46 3.708,47 3.92,48 5.752,49 3.813,50 4.787,51 5.029,52 3.519,53 3.934,54 5.575,55 3.768,56 0.035,57 0.832,58 13.421,59 5.47,60 9.538,61 7.52,62 0.308,63 1.349,64 25.792,65 8.883,66 33.939,67 12.574,68 0.365,69 1.682,70 33.809,71 12.13,72 39.219,73 17.128,74 0.331,75 1.78,76 37.034,77 14.088,78 42.048,79 20.089,80 0.338,81 1.774,82 40.236,83 14.518,84 39.933,85 21.618,86 0.373,87 1.526,88 35.983,89 11.45,90 41.432,91 17.327,92 0.624,93 1.297,94 29.957,95 9.142,96 53.525,97 13.334,98 0.301,99 1.272,100 27.674,101 10.211,102 31.844,103 14.645,104 14,105 44,106 0.242,107 0.562,108 0.754,109 0.841,110 0.841,111 0.841,112 3.407,113 0.965,114 -3.38,115 -3.36,116 -3.22,119 39.7,121 2,124 1,125 6,127 1,140 7,141 3,142 2,156 1,161 1,162 1,163 1,169 9,172 9,173 1,174 1,176 1,178 11,180 1,181 1,182 8,186 2,189 9,191 2,192 1,193 5,197 2,199 4,201 2,202 1,203 8,208 2,211 1,213 2,215 5,225 2,226 3,228 1,229 1,231 1,233 2,235 1,236 1,237 2,244 2,248 1,249 5,251 1,252 1,256 2,259 1354,260 19.886,261 19.886,262 19.886,263 19.886,264 19.886,265 18.343,266 28.682,267 11.658,268 20.403,269 15.714,270 15.714,271 15.714,272 15.714,273 15.714,274 13.275,275 37.017,276 5.428,277 16.44,278 4.387,279 2.437,280 1.269,281 0.737,282 0.737,283 0.737,284 4.108,288 1,289 1,290 868,291 3.162,295 356.634,299 137.928,302 2.105,303 22.755,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 62.5,315 400,316 4.384,317 3.522,318 6.529,319 4.063,320 3.077,321 4.006,322 1.151,323 10.291,324 3.037,325 4.142,326 3.368,327 6.149,328 3.833,329 2.89,330 3.691,331 0.98,332 9.079,333 2.727,334 3.932,335 3.151,336 5.903,337 3.643,338 2.645,339 3.265,340 0.86,341 8.139,342 2.632,343 3.702,344 2.827,345 5.364,346 3.439,347 2.501,348 2.942,349 0.8,350 7.003,351 2.339,352 3.444,353 2.683,354 5.278,355 3.237,356 2.31,357 2.502,358 0.8,359 6.706,360 2.137,361 3.165,362 2.465,363 5.133,364 2.958,365 1.99,366 2.253,368 6,369 1.916,370 2.883,371 1.979,372 4.345,373 2.534,374 1.571,375 1.971,377 4.131,378 1.507,379 2.695,380 1.793,381 4.185,382 2.437,383 1.495,384 1.714,386 3.811,387 1.4,388 2.586,389 1.739,390 3.783,391 2.179,392 1.182,393 1.559,395 2.832,396 1.163,397 2.5,398 1.188,399 3.446,400 2,401 1.02,402 1.5,404 2.393,405 1,406 2.211,407 1.146,408 3.414,409 1.988,410 1,411 1.176,413 2.275,414 0.98,415 2,416 1.045,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 1.713,425 1,426 3.158,427 1.557,428 0.606,429 0.656,431 1.394,432 0.57,433 1.595,434 0.762,435 2.803,436 1.356,437 0.474,438 0.519,440 0.763,441 0.415,442 0.968,443 0.174,444 2.508,445 0.78,446 -0.17,447 -0.182,449 -0.39,450 -0.16,451 13.7,452 0.472,453 0.623,454 0.021,455 33.5,456 1.155,457 14.5,458 0.5,459 19,460 0.655,461 26.549,462 0.915,463 32.5,464 0.56,465 24.322,466 0.839,467 6.719,468 0.232,469 7.417,470 0.256,471 0.09,473 0.314,479 0.85,480 1.408,481 0.865,482 1.202,483 0.712,484 1.053,485 1.24,486 1.042,487 1.003,488 0.934,489 0.602,490 0.924,491 1.118,492 0.993,493 1.08,494 1.015,495 0.802,496 1.032,497 0.804,498 1.201,499 1.141,500 1.258,501 0.804,502 1.256,503 0.526,504 1.061,505 0.876,506 1.066,507 0.574,508 1.032,509 0.932,510 0.964,511 0.875,512 0.897,513 0.845,514 0.876,515 1.356,516 0.844,517 1.144,518 0.857,519 1.195,520 0.947,521 0.891,522 1.19,523 1.181,524 1.236,525 0.906,526 1.259,527 5.5,528 0.116,529 3.556,530 1.25,531 1.351,532 1.014,533 0.548,534 0.241,535 0.233,536 0.234,537 12346,538 30171,539 2.111,540 50,542 23,545 2,547 2,548 2,550 1.712,551 2,552 3.709,553 0.194,554 1,555 1,559 85.33,560 1.471,561 3.421,562 4.589,563 5.121,564 5.121,565 5.121,566 3.195,567 4.444,568 4.827,569 3.888,570 1578.55,571 8.37,572 22413.9,574 1,576 1,577 339.763,578 1.314,579 4.8,580 0.172,581 0.005,582 0.081,583 0.027,584 0.036,585 0.031,586 0.018,587 0.008,588 0.01,589 0.011,590 0.398,591 0.33,592 1,593 0.772,594 150.741,595 -0.024,596 -0.158,597 0.067,598 -0.065,599 -0.039,600 0.003,601 -0.109,602 0.098,603 -0.012,604 0.09,605 0.101,606 0.061,607 -0.13,608 0.082,609 -0.106,610 0.006,611 -0.005,612 -0.036,613 -0.034,614 -0.189,615 -0.199,616 -0.22,617 -0.046,618 -0.235,619 0.094,620 -0.138,621 0.066,622 -0.08,623 0.03,624 -0.023,625 -0.019,626 -0.038,627 0.114,628 0.035,629 -0.025,630 0.087,631 -0.02,632 0.158,633 -0.112,634 0.078,635 -0.029,636 -0.013,637 -0.049,638 -0.212,639 -0.227,640 -0.218,641 -0.117,642 -0.251,643 2.037,644 4.436,645 0.759,646 31.658,647 0.996,648 1.13,649 2.151,650 4.628,651 0.643,652 3.497,653 3.807,654 4.078,655 4.29,656 4.554,657 4.625,658 4.736,659 4.736,660 4.875,661 4.927,662 7.81,663 0.604,664 395.55,665 3.497,666 5.03,667 5.878,668 6.742,669 7.603,670 8.472,671 9.338,672 10.208,673 11.077,674 11.949,675 5.2,678 1,681 1,682 1,688 7,693 5,695 12,701 1,709 1,712 1,714 58,716 13,717 2,718 32,720 61,721 23,722 12,723 5,724 7,725 1,730 4,731 5,740 2,743 3,745 13,746 10,750 1,755 1,759 1,761 1,764 29,765 6,766 2,767 6,773 3,777 0.75,778 3,793 4,797 1,815 1,818 1,819 3,823 1,827 29,828 1,833 8,835 2,837 1,838 2,847 5.2,850 1,851 1,852 1,854 14.5,855 10.4,856 6.444,857 3.522,858 2.198,859 1.281,860 0.98,861 6.383,862 10.023,863 3.689,864 4.205,865 4.714,866 5.18,867 5.687,868 5.826,869 6.041,870 5.975,871 6.151,872 6.221,873 1,874 46,875 10.753,877 4.526,878 7.615,879 21.064,881 17.565,883 2.115,884 61.333,887 1,888 317.82,889 119.668,890 39.146,892 47.145,895 119.668,896 364.964,897 39.146,898 10.883,899 53.087,900 66.334,901 40.849,902 34.805,904 317.82,906 317.82,907 158.814,908 47.145,911 270.735,912 83.229,913 11,915 56.211,916 102.603,919 317.82,920 86.291,921 119.668,924 317.82,925 42.452,926 83.465,928 80.042,929 317.82,930 86.291,931 119.668,933 0.579,934 0.341,935 0.174,936 0.098,937 21,938 9,939 0.098,940 6,941 1,942 1.091,943 4.189,944 247.473,945 0.091,946 22,947 132.881,951 20.205,952 9.161,953 4.744,955 86.291,956 14.049,961 5.127,963 32.897,964 523.779,965 39,970 11.436,974 -0.37,975 57.774,976 65.521,977 0.251,978 0.584,979 0.783,980 0.874,981 0.874,982 0.874,983 4.934,984 1.495,985 5.849,986 4.131,987 4.489,988 4.89,989 2.194,990 6.632,991 4.41,992 6.095,993 1.182,994 7.393,995 3.811,996 4.007,997 4.59,998 0.57,999 7.489,1000 3.896,1001 7.377,1002 1.02,1003 9.034,1004 2.832,1005 6.061,1006 6.949,1007 2.124,1008 10.54,1009 5.916,1010 8.69,1011 1,1012 10.733,1013 2.393,1014 6.399,1015 7.466,1016 0.479,1017 12.216,1018 6.228,1019 10.036,1020 1,1021 12.468,1022 2.275,1023 7.898,1024 9.314,1025 2.171,1026 14.773,1027 7.701,1028 11.403,1029 0.606,1030 14.228,1031 2.275,1032 8.616,1033 10.21,1034 0.346,1035 16.792,1036 8.399,1037 12.787,1038 0.474,1039 16.005,1040 1.394,1041 9.881,1042 11.834,1043 2.281,1044 19.181,1045 9.642,1046 3.077,1047 -0.17,1048 17.796,1049 0.763,1050 10.786,1051 12.929,1052 0.237,1053 21.355,1054 10.532,1055 2.89,1056 10.291,1057 19.597,1058 -0.39,1059 11.949,1060 14.44,1061 2.437,1062 23.686,1063 11.675,1064 2.645,1065 9.079,1066 21.406,1067 4.006,1068 12.949,1069 15.646,1070 0.158,1071 25.933,1072 12.662,1073 2.501,1074 8.139,1075 23.223,1076 3.691,1077 14.069,1078 17.096,1079 2.626,1080 28.247,1081 13.765,1082 2.31,1083 7.003,1084 25.045,1085 3.265,1086 15.117,1087 18.369,1088 0.104,1089 30.528,1090 14.801,1091 1.99,1092 6.706,1093 26.873,1094 2.942,1095 16.221,1096 19.784,1097 2.841,1098 32.839,1099 15.891,1100 1.571,1101 6,1102 28.705,1103 2.502,1104 17.295,1105 21.097,1106 0.068,1107 35.138,1108 16.953,1109 11690,1110 18366,1111 21.671,1112 37.279,1113 47.782,1114 48.586,1115 48.811,1116 47.519,1117 47.526,1118 57.509,1119 9.181,1120 134.183,1121 45.577,1122 5.384,1123 5.522,1124 6.08,1125 5.148,1126 5.077,1127 7.006,1128 2.302,1129 17.149,1130 5.037,1131 13,1132 1.493,1133 1.518,1134 1.525,1135 1.485,1136 1.485,1137 1.797,1138 0.287,1139 4.193,1140 1.424,1141 4.031,1142 4.062,1143 3.97,1144 3.952,1145 7.437,1146 3.952,1147 3.946,1148 3.982,1149 3.883,1150 3.847,1151 4.908,1152 3.851,1153 3.754,1154 3.809,1155 3.648,1156 3.586,1157 4.869,1158 3.592,1159 3.57,1160 3.608,1161 3.481,1162 3.388,1163 4.746,1164 3.4,1165 3.38,1166 3.452,1167 3.228,1168 3.215,1169 4.444,1170 3.202,1171 3.241,1172 3.309,1173 3.099,1174 2.999,1175 4.385,1176 3.017,1177 3.215,1178 3.282,1179 3.048,1180 2.946,1181 4.238,1182 2.96,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.835,1188 2.91,1189 0.137,1190 0.11,1191 0.204,1192 0.127,1193 0.096,1194 4.384,1195 0.125,1196 3.522,1197 0.036,1198 6.529,1199 0.322,1200 4.063,1201 0.095,1202 3.077,1203 4.006,1204 1.151,1205 10.291,1206 3.037,1207 1.986,1208 1.966,1209 2.096,1210 2.093,1211 1.381,1212 2.095,1213 1.911,1214 1.878,1215 2.037,1216 2.05,1217 1.295,1218 2.05,1219 1.724,1220 1.663,1221 1.91,1222 1.902,1223 1.084,1224 1.907,1225 1.515,1226 1.473,1227 1.727,1228 1.73,1229 0.992,1230 1.722,1231 1.38,1232 1.311,1233 1.657,1234 1.593,1235 0.859,1236 1.617,1237 1.19,1238 1.119,1239 1.564,1240 1.493,1241 0.825,1242 1.518,1243 1.153,1244 1.073,1245 1.513,1246 1.436,1247 0.576,1248 1.429,1249 1.132,1250 1.064,1251 1.361,1252 1.376,1253 0.496,1254 1.425,1255 4.174,1257 5.485,1259 7,1261 8.603,1263 10.25,1265 1.693,1269 5.418,1271 7.66,1273 11.288,1275 0.097,1276 4.934,1280 35.057,1281 85.33,1282 198.412,1283 266.137,1284 297.008,1285 297.008,1286 297.008,1287 45.654,1288 7.825,1289 68.03,1290 68.03,1291 24,1292 12.491,1293 3.807,1294 3,1295 45.121,1296 138,1297 144,1298 0.159,1299 213.701,1300 376.11,1301 513.189,1302 30242,1304 20.217,1305 0.697,1306 0.585,1307 20.217,1308 16.972,1309 14.135,1310 0.442,1311 0.322,1312 10.133,1313 13.528,1314 9.908,1315 8.129,1316 14.135,1317 10.294,1318 12.479,1319 0.284,1320 0.175,1321 12.479,1322 7.703,1323 10.752,1324 0.185,1325 0.103,1326 10.752,1327 5.982,1328 8.562,1329 0.119,1330 0.059,1331 8.562,1332 4.252,1333 7.119,1334 0.076,1335 0.033,1336 7.119,1337 3.101,1338 0.259,1339 88.889,1340 0.215,1341 28.161,1342 0.413,1343 152,1344 411.809,1345 166.159,1346 389.472,1347 531.25,1348 368,1349 178,1350 381.502,1351 192.19,1352 385.858,1353 563.66,1354 363,1355 8.066} {0 CHEMBL69560,1 1.236,2 6.556,3 3.539,4 12.524,5 75.562,6 6.326,7 0.476,8 3.733,9 3.87,10 3.2,11 3.318,12 4.564,13 3.258,14 4.355,15 4.552,16 3.576,17 3.787,18 5.105,19 3.694,20 4.656,21 4.915,22 3.522,23 3.922,24 5.297,25 3.767,26 4.651,27 4.915,28 3.429,29 3.898,30 5.27,31 3.718,32 4.661,33 4.957,34 3.218,35 3.784,36 5.222,37 3.566,38 4.478,39 4.802,40 3.019,41 3.524,42 5.031,43 3.312,44 4.098,45 4.382,46 2.791,47 3.28,48 4.741,49 3.094,50 3.924,51 4.213,52 2.335,53 3.014,54 4.566,55 2.776,56 0.05,57 0.562,58 9.361,59 3.768,60 5.434,61 5.493,62 0.116,63 0.995,64 17.674,65 6.702,66 9.988,67 9.954,68 0.161,69 1.233,70 23.756,71 9.131,72 13.265,73 13.535,74 0.124,75 1.193,76 23.365,77 9.698,78 12.525,79 14.097,80 0.13,81 1.153,82 23.58,83 9.537,84 12.734,85 14.002,86 0.16,87 0.943,88 19.764,89 7.447,90 12.231,91 11.117,92 0.09,93 0.672,94 13.457,95 5.176,96 8.664,97 7.687,98 0.076,99 0.552,100 11.27,101 4.266,102 8.356,103 6.376,105 30,106 0.224,107 0.559,108 0.749,109 0.817,110 0.826,111 0.826,112 2.963,113 1.034,114 -4.03,115 -3.98,116 -3.77,119 42.1,121 5,125 2,127 1,140 3,141 3,149 1,150 1,169 9,172 4,176 3,178 11,182 2,186 2,189 11,193 2,197 2,199 9,203 2,208 1,211 5,215 1,218 1,220 1,222 4,233 4,242 2,244 2,259 312,260 12.723,261 12.723,262 12.723,263 12.723,264 12.723,265 11.566,266 13.555,267 7.483,268 12.896,269 10.397,270 10.397,271 10.397,272 10.397,273 10.397,274 8.626,275 15.648,276 3.549,277 10.68,278 4.012,279 2.161,280 1.112,281 0.737,282 0.684,283 0.684,284 3.666,287 1,288 1,289 1,290 271,291 1.732,294 64.996,295 60.56,298 49.069,299 51.639,302 1.049,303 4.899,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 37,315 118,316 4.593,317 3.343,318 6.722,319 4.174,320 3.184,321 4.525,322 0.8,323 10.959,324 3.154,325 3.915,326 3.025,327 6.135,328 3.753,329 2.807,330 3.292,332 9.027,333 2.656,334 3.677,335 2.535,336 5.695,337 3.353,338 2.378,339 2.783,341 7.556,342 2.315,343 3.185,344 1.99,345 4.77,346 2.805,347 1.814,348 2.478,350 5.076,351 1.796,352 2.8,353 1.78,354 4.473,355 2.697,356 1.711,357 1.809,359 4.505,360 1.685,361 2.642,362 1.316,363 3.792,364 2.208,365 1.227,366 1.703,368 2.858,369 1.202,370 2.101,371 1.017,372 3.43,373 1.898,374 0.923,375 0.996,377 2.139,378 0.898,379 2.03,380 0.914,381 3.324,382 1.779,383 0.81,384 0.978,386 2.058,387 0.783,388 1.805,389 0.744,390 3.121,391 1.591,392 0.618,393 0.688,395 1.372,396 0.6,397 1.618,398 0.586,399 3,400 1.502,401 0.527,402 0.618,404 1.295,405 0.513,406 0.89,407 -0.194,408 2.525,409 0.625,410 -0.36,411 -0.418,413 -0.935,414 -0.354,415 0.632,416 -0.529,417 2.441,418 0.3,419 -0.689,420 -0.806,422 -1.9,423 -0.682,424 0.267,425 -0.956,426 2.182,427 -0.025,428 -1.013,429 -1.28,431 -2.865,432 -0.998,433 -0.072,434 -1.149,435 2,436 -0.295,437 -1.27,438 -1.469,440 -3.132,441 -1.234,442 -0.136,443 -1.344,444 1.527,445 -0.553,446 -1.526,447 -1.618,449 -3.975,450 -1.469,451 8.8,452 0.489,453 0.342,454 0.019,455 19.75,456 1.097,457 8,458 0.444,459 11.75,460 0.653,461 15.91,462 0.884,463 19.4,464 0.511,465 9.835,466 0.546,467 3.373,468 0.187,469 5.543,470 0.308,473 0.33,479 1.081,480 1.276,481 0.935,482 1.065,483 0.854,484 1.004,485 1.381,486 1.151,487 1.043,488 1.027,489 0.898,490 1.015,491 1.267,492 0.961,493 1.072,494 0.983,495 0.885,496 1.009,497 0.737,498 1.066,499 1.032,500 1.106,501 0.899,502 1.091,503 0.687,504 1.076,505 0.991,506 1.09,507 0.903,508 1.065,509 0.863,510 0.799,511 0.833,512 0.811,513 0.834,514 0.818,515 1.144,516 0.953,517 1.054,518 0.99,519 1.315,520 1.012,521 1.219,522 1.201,523 1.279,524 1.254,525 1.783,526 1.268,527 2.5,529 2.222,530 0.59,531 0.828,532 0.438,533 0.183,534 0.084,535 0.01,537 2961,538 4857,539 2.289,540 52.6,541 2,542 8,543 1,545 1,547 8,550 1.589,551 2.25,552 2.791,553 -0.389,555 1,557 1,559 46.983,560 1.236,561 3.087,562 4.136,563 4.511,564 4.564,565 4.564,566 2.171,567 3.837,568 4.147,569 2.878,570 440.323,571 7.046,572 4016.43,573 1,574 1,576 1,577 199.421,578 0.918,579 4.142,580 0.119,582 0.074,583 0.022,584 0.034,585 0.024,586 0.012,587 0.007,588 0.002,590 0.295,591 1,592 1,594 74.383,595 0.059,596 -0.08,597 0.093,598 0.02,599 0.189,600 0.052,601 -0.09,602 -0.021,603 -0.023,604 -0.009,605 0.073,606 -0.011,607 -0.164,608 0.059,609 -0.085,610 -0.003,611 0.006,612 -0.033,613 -0.016,614 -0.103,615 -0.075,616 -0.1,617 -0.04,618 -0.093,619 0.048,620 -0.164,621 -0.042,622 -0.116,623 -0.041,624 -0.09,625 0.165,626 0.108,627 0.133,628 0.116,629 0.125,630 0.121,631 -0.123,632 0.014,633 -0.081,634 -0.029,635 -0.198,636 -0.048,637 -0.179,638 -0.251,639 -0.313,640 -0.311,641 -0.452,642 -0.319,643 0.541,644 0.84,645 1,646 9.704,647 0.978,648 1.125,649 2.796,650 7.815,651 0.654,652 3.091,653 3.434,654 3.784,655 4.094,656 4.277,657 4.431,658 4.585,659 4.718,660 4.754,661 4.691,662 4.224,663 0.6,664 240.38,665 3.091,666 4.635,667 5.517,668 6.412,669 7.309,670 8.209,671 9.11,672 10.013,673 10.916,674 11.82,675 5.3,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 38,716 10,717 1,718 21,720 41,721 16,722 8,723 4,724 2,730 4,731 7,740 6,743 6,745 8,746 8,761 1,764 20,765 1,766 1,767 2,773 2,777 0.5,788 1,789 1,792 2,793 2,796 1,797 1,815 1,819 2,827 18,833 7,837 1,838 1,854 8,855 6.617,856 3.861,857 2.656,858 2.116,859 1.303,860 1.052,861 2.524,862 9.103,863 3.296,864 3.897,865 4.534,866 5.149,867 5.613,868 5.987,869 6.361,870 6.721,871 6.7,872 6.834,873 1,874 27,875 6.715,877 2.931,878 7.222,879 13.848,881 12.493,883 1.722,884 31,885 0.008,888 223.651,889 65.448,890 19.91,895 65.448,896 223.651,897 19.91,899 16.884,900 37.476,902 28.854,903 13.915,904 211.88,906 223.651,907 85.358,911 129.482,912 94.169,915 36.794,916 48.564,919 223.651,920 19.91,921 65.448,924 223.651,925 27.972,926 40.6,927 16.786,929 223.651,930 19.91,931 65.448,933 0.583,934 0.356,935 0.203,936 0.098,937 18,938 6,939 0.024,940 1,941 2,942 1.222,943 3.152,944 141.581,945 0.222,946 18,947 71.059,951 10.773,952 4.217,953 1.753,954 2.757,955 3.124,956 8.893,958 3.34,961 3.189,963 16.786,964 309.009,965 26,975 37.156,976 42.733,977 0.236,978 0.588,979 0.788,980 0.86,981 0.87,982 0.87,983 4.549,984 0.81,985 5.493,986 2.139,987 4.111,988 4.58,989 0.673,990 6.333,991 4.062,992 5.726,993 0.618,994 7.06,995 2.058,996 3.611,997 4.388,998 0.325,999 7.273,1000 3.531,1001 7.033,1002 0.527,1003 8.732,1004 1.372,1005 5.72,1006 6.806,1007 0.379,1008 10.411,1009 5.625,1010 8.383,1011 -0.36,1012 10.468,1013 1.295,1014 6.133,1015 7.572,1016 0.268,1017 12.211,1018 6.01,1019 9.772,1020 -0.689,1021 12.244,1022 -0.935,1023 7.636,1024 9.42,1025 0.239,1026 14.839,1027 7.502,1028 11.189,1029 -1.013,1030 14.048,1031 -1.9,1032 8.45,1033 10.605,1034 0.188,1035 16.972,1036 8.297,1037 12.626,1038 -1.27,1039 15.871,1040 -2.865,1041 9.723,1042 12.245,1043 0.156,1044 19.436,1045 9.562,1046 3.184,1047 -1.526,1048 17.707,1049 -3.132,1050 10.718,1051 13.614,1052 0.125,1053 21.708,1054 10.544,1055 2.807,1056 10.959,1057 19.553,1058 -3.975,1059 11.904,1060 15.175,1061 0.102,1062 24.117,1063 11.723,1064 2.378,1065 9.027,1066 21.407,1067 4.525,1068 12.979,1069 16.624,1070 0.082,1071 26.451,1072 12.79,1073 1.814,1074 7.556,1075 23.268,1076 3.292,1077 14.134,1078 18.153,1079 0.066,1080 28.842,1081 13.94,1082 1.711,1083 5.076,1084 25.134,1085 2.783,1086 15.246,1087 19.636,1088 0.054,1089 31.204,1090 15.046,1091 1.227,1092 4.505,1093 27.004,1094 2.478,1095 16.391,1096 21.153,1097 0.043,1098 33.591,1099 16.187,1100 0.923,1101 2.858,1102 28.878,1103 1.809,1104 17.521,1105 22.651,1106 0.035,1107 35.968,1108 17.312,1109 2725,1110 3560,1111 14.909,1112 24.864,1113 31.971,1114 32.059,1115 31.784,1116 31.996,1117 32,1118 39.74,1119 1.6,1120 93.689,1121 31.204,1122 5.555,1123 5.343,1124 6.319,1125 5.215,1126 5.184,1127 7.525,1128 1.2,1129 18.173,1130 5.154,1132 1.522,1133 1.527,1134 1.514,1135 1.524,1136 1.524,1137 1.892,1138 0.076,1139 4.461,1140 1.486,1141 4.154,1142 4.187,1143 4.106,1144 4.08,1145 4.968,1146 4.082,1147 3.865,1148 3.932,1149 3.75,1150 3.708,1151 4.405,1152 3.709,1153 3.63,1154 3.693,1155 3.501,1156 3.505,1157 4.252,1158 3.496,1159 3.275,1160 3.333,1161 3.143,1162 3.171,1163 3.923,1164 3.158,1165 3.039,1166 3.128,1167 2.846,1168 2.874,1169 3.582,1170 2.855,1171 2.869,1172 2.979,1173 2.713,1174 2.71,1175 3.417,1176 2.703,1177 2.862,1178 2.939,1179 2.583,1180 2.671,1181 3.209,1182 2.635,1183 2.569,1184 2.691,1185 2.309,1186 2.309,1187 3.101,1188 2.292,1189 0.219,1190 0.159,1191 0.32,1192 0.199,1193 0.152,1194 4.593,1195 0.215,1196 3.343,1197 0.038,1198 6.722,1199 0.522,1200 4.174,1201 0.15,1202 3.184,1203 4.525,1204 0.8,1205 10.959,1206 3.154,1207 2.026,1208 2.002,1209 2.134,1210 2.107,1211 1.467,1212 2.117,1213 1.634,1214 1.577,1215 1.86,1216 1.825,1217 1.211,1218 1.822,1219 1.577,1220 1.507,1221 1.806,1222 1.751,1223 1.067,1224 1.793,1225 1.476,1226 1.417,1227 1.655,1228 1.68,1229 0.896,1230 1.679,1231 1.33,1232 1.255,1233 1.603,1234 1.526,1235 0.74,1236 1.558,1237 1.095,1238 1.019,1239 1.411,1240 1.297,1241 0.621,1242 1.341,1243 0.853,1244 0.778,1245 1.13,1246 1.062,1247 0.318,1248 1.095,1249 0.647,1250 0.569,1251 1.002,1252 0.867,1253 0.14,1254 0.919,1255 3.761,1257 5.094,1258 3.045,1259 6.629,1260 5.209,1261 8.264,1262 7.154,1263 9.955,1271 9.312,1275 0.792,1276 2.717,1280 22.784,1281 46.983,1282 117.308,1283 157.157,1284 171.421,1285 173.421,1286 173.421,1287 17.041,1288 6.987,1289 19.03,1290 19.03,1291 22,1292 12.339,1293 3.459,1294 2.585,1295 22.608,1296 46,1297 38,1298 0.252,1299 136.553,1300 225.56,1301 324.95,1302 9056,1304 11.949,1305 0.664,1306 0.599,1307 11.949,1308 10.784,1309 8.916,1310 0.425,1311 0.345,1312 7.188,1313 8.744,1314 7.05,1315 5.773,1316 8.916,1317 7.236,1318 7.974,1319 0.266,1320 0.193,1321 7.974,1322 5.782,1323 7.331,1324 0.17,1325 0.111,1326 7.331,1327 4.787,1328 6.458,1329 0.109,1330 0.064,1331 6.458,1332 3.794,1333 4.815,1334 0.068,1335 0.036,1336 4.815,1337 2.551,1338 0.376,1339 54.524,1340 0.259,1341 17.642,1342 0.751,1343 102,1344 183.978,1345 106.135,1346 185.582,1347 271.98,1348 178,1349 124,1350 213.437,1351 128.663,1352 218.49,1353 325.37,1354 209,1355 7.114} {0 CHEMBL69562,1 1.18,2 7.429,3 5.309,4 28.187,5 91.608,6 5.806,7 0.435,8 3.938,9 4.088,10 3.303,11 3.486,12 4.77,13 3.405,14 4.548,15 4.774,16 3.648,17 3.914,18 5.261,19 3.799,20 4.823,21 5.083,22 3.735,23 4.091,24 5.485,25 3.945,26 4.936,27 5.202,28 3.708,29 4.173,30 5.561,31 3.999,32 5.018,33 5.3,34 3.601,35 4.189,36 5.599,37 3.972,38 5.06,39 5.383,40 3.443,41 4.098,42 5.606,43 3.849,44 4.897,45 5.236,46 3.22,47 3.901,48 5.429,49 3.649,50 4.583,51 4.892,52 3.005,53 3.671,54 5.188,55 3.431,56 0.066,57 0.695,58 12.41,59 4.959,60 7.627,61 7.362,62 0.139,63 1.164,64 21.993,65 8.31,66 12.418,67 12.585,68 0.183,69 1.449,70 28.259,71 10.663,72 17.138,73 16.151,74 0.199,75 1.583,76 31.286,77 12.123,78 16.986,79 18.165,80 0.168,81 1.635,82 32.984,83 13.736,84 17.309,85 20.088,86 0.219,87 1.599,88 33.548,89 13.415,90 21.16,91 19.838,92 0.175,93 1.321,94 28.136,95 11.032,96 18.206,97 16.468,98 0.119,99 1.007,100 20.894,101 8.452,102 14.624,103 12.481,104 19,105 32,106 0.203,107 0.502,108 0.757,109 0.797,110 0.797,111 0.797,112 3.105,113 1.117,114 -5.13,115 -5.03,116 -4.71,119 38.8,120 3,121 5,125 2,127 1,140 2,141 4,149 1,150 1,169 11,172 4,176 3,178 12,182 4,186 3,189 12,193 2,197 2,199 13,203 2,208 1,211 13,215 2,218 1,220 1,222 10,233 8,242 2,244 8,254 2,256 4,259 507,260 14.516,261 14.516,262 14.516,263 14.516,264 14.516,265 13.314,266 15.981,267 8.69,268 14.68,269 11.284,270 11.284,271 11.284,272 11.284,273 11.284,274 9.434,275 18.589,276 3.927,277 11.57,278 4.435,279 2.7,280 1.22,281 0.985,282 0.985,283 0.985,284 3.785,288 1,289 1,290 332,291 3.162,294 38.404,295 80.986,298 65.055,299 69.256,302 1.17,303 6.476,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 43,315 156,316 4.675,317 3.397,318 6.896,319 4.247,320 3.255,321 4.633,322 0.8,323 11.543,324 3.228,325 3.95,326 3.053,327 6.159,328 3.771,329 2.821,330 3.348,332 9.103,333 2.687,334 3.686,335 2.672,336 5.801,337 3.417,338 2.441,339 2.79,341 7.84,342 2.375,343 3.349,344 2.041,345 4.992,346 2.903,347 1.92,348 2.686,350 5.559,351 1.884,352 2.879,353 1.875,354 4.566,355 2.61,356 1.631,357 2.006,359 4.509,360 1.595,361 2.673,362 1.686,363 4.397,364 2.539,365 1.548,366 1.68,368 4.162,369 1.533,370 2.247,371 1.298,372 3.687,373 2.237,374 1.247,375 1.247,377 2.165,378 1.233,379 2.245,380 0.922,381 3.289,382 1.825,383 0.834,384 1.146,386 2.117,387 0.825,388 1.996,389 0.898,390 3.247,391 1.775,392 0.824,393 0.938,395 1.817,396 0.782,397 1.652,398 0.699,399 2.835,400 1.577,401 0.597,402 0.627,404 0.975,405 0.584,406 0.893,407 -0.075,408 2.542,409 0.645,410 -0.342,411 -0.388,413 -0.632,414 -0.337,415 0.885,416 -0.233,417 2.345,418 0.574,419 -0.408,420 -0.445,422 -0.827,423 -0.4,424 0.555,425 -0.287,426 2.232,427 0.521,428 -0.445,429 -0.496,431 -1.007,432 -0.428,433 0.289,434 -0.691,435 2,436 0.095,437 -0.899,438 -1.007,440 -1.857,441 -0.893,442 0.239,443 -0.905,444 1.869,445 -0.016,446 -1,447 -1.086,449 -2.681,450 -0.981,451 10.3,452 0.49,453 0.431,454 0.021,455 20.75,456 0.988,457 8,458 0.381,459 12.75,460 0.607,461 23.036,462 1.097,463 23.9,464 0.488,465 11.05,466 0.526,467 3.429,468 0.163,469 6.812,470 0.324,471 0.146,473 0.33,479 1.132,480 1.385,481 1.077,482 1.205,483 1.176,484 1.15,485 1.367,486 1.128,487 1.014,488 1.005,489 0.873,490 0.992,491 1.341,492 1.047,493 1.019,494 0.977,495 0.871,496 0.979,497 1.357,498 1.032,499 1.134,500 1.05,501 1.011,502 1.074,503 0.704,504 1.167,505 1.088,506 1.189,507 0.919,508 1.165,509 0.712,510 0.967,511 0.941,512 0.991,513 0.854,514 0.981,515 0.931,516 0.783,517 0.87,518 0.821,519 0.936,520 0.838,521 0.862,522 1.012,523 1.039,524 1.057,525 1.157,526 1.058,527 3.5,529 2.667,530 1.41,531 1.098,532 0.694,533 0.457,534 0.286,535 0.177,536 0.081,537 3852,538 5992,539 2.074,540 57.1,541 11,542 7,543 1,545 1,547 8,550 1.638,551 1.938,552 2.934,553 -0.432,559 57.804,560 1.18,561 2.915,562 4.395,563 4.63,564 4.63,565 4.63,566 2.244,567 4.107,568 4.363,569 3.067,570 644.125,571 7.506,572 6710.59,577 275.121,578 1.418,579 4.322,580 0.152,582 0.083,583 0.041,584 0.034,585 0.026,586 0.021,587 0.016,588 0.013,589 0.01,590 0.396,591 0.67,592 1,593 1.466,594 92.911,595 0.08,596 -0.102,597 0.067,598 -0.011,599 0.003,600 0.02,601 -0.009,602 0.025,603 0.068,604 0.062,605 0.102,606 0.068,607 -0.052,608 0.035,609 0.024,610 0.042,611 0.071,612 0.038,613 -0.172,614 0.03,615 -0.108,616 -0.035,617 -0.097,618 -0.062,619 -0.005,620 -0.185,621 -0.118,622 -0.167,623 -0.078,624 -0.152,625 0.116,626 -0.053,628 -0.043,629 0.045,630 -0.031,631 -0.024,632 0.109,633 0.063,634 0.098,635 -0.005,636 0.088,637 -0.053,638 -0.073,639 -0.087,640 -0.087,641 -0.08,642 -0.088,643 0.6,644 0.919,645 0.619,646 14.082,647 0.973,648 1.13,649 3.901,650 15.215,651 0.631,652 3.178,653 3.497,654 3.829,655 4.143,656 4.369,657 4.477,658 4.644,659 4.779,660 4.779,661 4.663,662 4.812,663 0.569,664 284.49,665 3.178,666 4.71,667 5.58,668 6.475,669 7.371,670 8.277,671 9.181,672 10.091,673 11,674 11.912,675 4.1,678 1,683 1,687 2,688 3,690 1,693 3,695 10,714 49,716 10,717 1,718 23,720 51,721 19,722 8,723 4,724 2,730 3,731 6,736 3,740 4,743 6,745 8,746 11,764 28,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,827 21,833 7,837 1,838 1,854 10.833,855 9.533,856 4.806,857 3.607,858 2.119,859 1.303,860 0.976,861 4.464,862 9.102,863 3.367,864 3.956,865 4.594,866 5.225,867 5.72,868 6.072,869 6.471,870 6.841,871 6.862,872 6.907,873 0.8,874 34,875 7.823,877 3.22,878 7.246,879 16.037,881 13.629,883 1.746,884 36.667,885 0.003,888 317.82,889 85.633,890 19.91,895 85.633,896 317.82,897 19.91,898 26.476,899 16.884,900 28,902 32.04,903 13.915,904 306.049,906 317.82,907 105.543,911 223.651,912 94.169,915 63.27,916 42.274,919 317.82,920 19.91,921 85.633,924 317.82,925 31.158,926 57.6,927 16.786,929 317.82,930 19.91,931 85.633,933 0.566,934 0.348,935 0.207,936 0.114,937 16,938 7,939 0.098,940 5,941 2,942 1.308,943 3.249,944 166.046,945 0.308,946 13,947 86.239,951 14.805,952 6.332,953 2.795,954 2.801,955 3.124,956 6.759,958 3.419,961 4.592,963 16.786,964 423.363,965 28,975 47.69,976 55.394,977 0.21,978 0.519,979 0.783,980 0.825,981 0.825,982 0.825,983 4.61,984 0.834,985 5.565,986 2.165,987 4.174,988 4.64,989 0.673,990 6.422,991 4.128,992 5.798,993 0.824,994 7.148,995 2.117,996 3.761,997 4.543,998 0.325,999 7.427,1000 3.693,1001 7.114,1002 0.597,1003 8.837,1004 1.817,1005 5.796,1006 6.892,1007 0.379,1008 10.57,1009 5.707,1010 8.474,1011 -0.342,1012 10.588,1013 0.975,1014 6.256,1015 7.72,1016 0.268,1017 12.43,1018 6.149,1019 9.875,1020 -0.408,1021 12.381,1022 -0.632,1023 7.739,1024 9.548,1025 0.239,1026 15.087,1027 7.617,1028 11.304,1029 -0.445,1030 14.2,1031 -0.827,1032 8.592,1033 10.782,1034 0.188,1035 17.287,1036 8.46,1037 12.755,1038 -0.899,1039 16.04,1040 -1.007,1041 9.866,1042 12.423,1043 0.156,1044 19.79,1045 9.723,1046 3.255,1047 -1,1048 17.895,1049 -1.857,1050 10.894,1051 13.832,1052 0.125,1053 22.129,1054 10.744,1055 2.821,1056 11.543,1057 19.761,1058 -2.681,1059 12.09,1060 15.403,1061 0.102,1062 24.584,1063 11.933,1064 2.441,1065 9.103,1066 21.636,1067 4.633,1068 13.194,1069 16.885,1070 0.082,1071 26.982,1072 13.033,1073 1.92,1074 7.84,1075 23.519,1076 3.348,1077 14.366,1078 18.431,1079 0.066,1080 29.424,1081 14.199,1082 1.631,1083 5.559,1084 25.409,1085 2.79,1086 15.504,1087 19.943,1088 0.054,1089 31.846,1090 15.333,1091 1.548,1092 4.509,1093 27.304,1094 2.686,1095 16.67,1096 21.48,1097 0.043,1098 34.287,1099 16.495,1100 1.247,1101 4.162,1102 29.203,1103 2.006,1104 17.825,1105 23.004,1106 0.035,1107 36.721,1108 17.646,1109 3861,1110 4913,1111 15.315,1112 30.91,1113 34.354,1114 34.261,1115 36.086,1116 34.236,1117 34.237,1118 42.2,1119 1.6,1120 99.58,1121 33.452,1122 5.62,1123 5.397,1124 6.698,1125 5.261,1126 5.255,1127 7.633,1128 1.2,1129 18.812,1130 5.228,1131 9.853,1132 1.494,1133 1.49,1134 1.569,1135 1.489,1136 1.489,1137 1.835,1138 0.07,1139 4.33,1140 1.454,1141 4.164,1142 4.196,1143 4.12,1144 4.093,1145 4.955,1146 4.096,1147 3.821,1148 3.888,1149 3.707,1150 3.666,1151 4.392,1152 3.667,1153 3.617,1154 3.683,1155 3.475,1156 3.484,1157 4.245,1158 3.472,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.04,1164 3.32,1165 3.334,1166 3.397,1167 3.183,1168 3.225,1169 3.983,1170 3.207,1171 3.102,1172 3.205,1173 2.892,1174 2.91,1175 3.781,1176 2.886,1177 3.032,1178 3.121,1179 2.842,1180 2.847,1181 3.573,1182 2.842,1183 2.951,1184 3.063,1185 2.686,1186 2.713,1187 3.502,1188 2.692,1189 0.203,1190 0.148,1191 0.3,1192 0.185,1193 0.142,1194 4.675,1195 0.201,1196 3.397,1197 0.035,1198 6.896,1199 0.502,1200 4.247,1201 0.14,1202 3.255,1203 4.633,1204 0.8,1205 11.543,1206 3.228,1207 2.033,1208 2.009,1209 2.142,1210 2.116,1211 1.48,1212 2.127,1213 1.74,1214 1.676,1215 1.967,1216 1.925,1217 1.234,1218 1.941,1219 1.579,1220 1.523,1221 1.861,1222 1.776,1223 1.09,1224 1.785,1225 1.539,1226 1.466,1227 1.787,1228 1.738,1229 1.023,1230 1.778,1231 1.528,1232 1.459,1233 1.75,1234 1.683,1235 0.846,1236 1.718,1237 1.177,1238 1.1,1239 1.484,1240 1.405,1241 0.744,1242 1.438,1243 1.01,1244 0.914,1245 1.384,1246 1.263,1247 0.56,1248 1.31,1249 0.975,1250 0.871,1251 1.324,1252 1.245,1253 0.403,1254 1.286,1255 3.85,1257 5.165,1258 2.398,1259 6.696,1260 4.727,1261 8.335,1262 6.823,1263 10.034,1265 6.834,1271 8.803,1275 0.734,1276 2.726,1280 27.891,1281 57.804,1282 142.817,1283 215.346,1284 226.856,1285 226.856,1286 226.856,1287 25.971,1288 6.983,1289 19.03,1290 19.03,1291 17,1292 12.426,1293 3.459,1294 2.585,1295 31.98,1296 61,1297 60,1298 0.271,1299 172.724,1300 289.82,1301 413.206,1302 8627,1304 14.82,1305 0.706,1306 0.653,1307 14.82,1308 13.706,1309 10.241,1310 0.445,1311 0.372,1312 8.519,1313 10.073,1314 8.195,1315 6.89,1316 10.241,1317 8.567,1318 8.804,1319 0.275,1320 0.204,1321 8.804,1322 6.53,1323 7.671,1324 0.17,1325 0.111,1326 7.671,1327 4.973,1328 6.78,1329 0.109,1330 0.065,1331 6.78,1332 4.01,1333 5.502,1334 0.071,1335 0.038,1336 5.502,1337 2.981,1338 0.407,1339 62.473,1340 0.256,1341 20.301,1342 0.797,1343 110,1344 193.978,1345 114.135,1346 197.003,1347 287.01,1348 188,1349 132,1350 224.437,1351 136.829,1352 231.622,1353 343.43,1354 220,1355 7.367} {0 CHEMBL69729,1 1.195,2 7.429,3 4.771,4 22.759,5 89.236,6 6.01,7 0.417,8 3.921,9 4.064,10 3.333,11 3.493,12 4.728,13 3.42,14 4.52,15 4.734,16 3.627,17 3.903,18 5.228,19 3.787,20 4.799,21 5.064,22 3.682,23 4.046,24 5.431,25 3.896,26 4.87,27 5.137,28 3.666,29 4.113,30 5.476,31 3.943,32 4.954,33 5.234,34 3.585,35 4.141,36 5.51,37 3.933,38 4.989,39 5.303,40 3.454,41 4.067,42 5.517,43 3.834,44 4.832,45 5.158,46 3.215,47 3.883,48 5.362,49 3.638,50 4.533,51 4.85,52 3.018,53 3.619,54 5.116,55 3.393,56 0.063,57 0.68,58 11.883,59 4.814,60 6.721,61 7.069,62 0.134,63 1.144,64 21.249,65 8.107,66 11.428,67 12.151,68 0.181,69 1.411,70 27.461,71 10.357,72 15.267,73 15.592,74 0.183,75 1.492,76 29.284,77 11.51,78 14.978,79 17.078,80 0.16,81 1.563,82 31.281,83 13.065,84 14.453,85 19.041,86 0.211,87 1.546,88 32.009,89 12.902,90 16.988,91 18.965,92 0.155,93 1.288,94 27.052,95 10.997,96 15.481,97 16.168,98 0.117,99 0.969,100 20.133,101 8.117,102 12.992,103 11.964,104 4,105 34,106 0.207,107 0.523,108 0.764,109 0.855,110 0.862,111 0.862,112 3.105,113 1.083,114 -4.74,115 -4.65,116 -4.37,119 40.4,120 1,121 6,122 1,125 2,127 1,140 3,141 3,149 1,150 1,169 12,172 4,176 3,178 11,182 5,186 2,189 11,193 2,197 2,199 10,203 2,208 1,211 14,215 1,218 1,220 1,222 12,233 10,242 2,244 8,254 3,256 3,259 510,260 14.748,261 14.748,262 14.748,263 14.748,264 14.748,265 13.591,266 13.555,267 8.728,268 14.913,269 11.845,270 11.845,271 11.845,272 11.845,273 11.845,274 10.075,275 15.648,276 4.068,277 12.124,278 4.36,279 2.532,280 1.139,281 0.612,282 0.569,283 0.569,284 3.795,288 1,289 1,290 350,291 3,292 35.664,294 39.212,295 81.835,298 66.332,299 69.935,302 1.17,303 5.864,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 43,315 156,316 4.593,317 3.345,318 6.723,319 4.175,320 3.185,321 4.525,322 0.8,323 10.961,324 3.155,325 3.937,326 3.051,327 6.162,328 3.821,329 2.863,330 3.293,332 9.16,333 2.752,334 3.746,335 2.605,336 5.706,337 3.546,338 2.558,339 2.852,341 7.648,342 2.519,343 3.487,344 2.482,345 5.451,346 3.302,347 2.329,348 2.532,350 7.179,351 2.262,352 3.18,353 1.957,354 4.768,355 2.76,356 1.769,357 2.453,359 5.054,360 1.75,361 2.647,362 1.64,363 4.364,364 2.526,365 1.551,366 1.707,368 4.131,369 1.509,370 2.59,371 1.315,372 3.79,373 2.205,374 1.224,375 1.595,377 2.858,378 1.199,379 2.095,380 1.042,381 3.427,382 1.944,383 0.964,384 0.997,386 2.058,387 0.943,388 2.021,389 0.914,390 3.194,391 1.793,392 0.82,393 0.986,395 1.763,396 0.796,397 1.877,398 0.613,399 3.168,400 1.531,401 0.556,402 0.746,404 1.367,405 0.541,406 1.145,407 0.205,408 2.8,409 1.097,410 0.115,411 0.117,413 0.249,414 0.113,415 0.864,416 -0.199,417 2.506,418 0.626,419 -0.358,420 -0.407,422 -0.787,423 -0.351,424 0.632,425 -0.529,426 2.257,427 0.309,428 -0.677,429 -0.719,431 -1.397,432 -0.665,433 0.354,434 -0.596,435 2.178,436 0.259,437 -0.72,438 -0.814,440 -1.907,441 -0.705,442 0.208,443 -0.972,444 2,446 -1,447 -1,449 -2.985,450 -1,451 10.3,452 0.49,453 0.41,454 0.02,455 21.25,456 1.012,457 8,458 0.381,459 13.25,460 0.631,461 21.542,462 1.026,463 23.3,464 0.496,465 10.715,466 0.51,467 3.363,468 0.16,469 6.984,470 0.333,471 0.049,473 0.33,479 1.099,480 1.31,481 1.011,482 1.131,483 0.981,484 1.077,485 1.401,486 1.203,487 1.097,488 1.092,489 0.915,490 1.08,491 1.329,492 1.022,493 1.002,494 0.955,495 0.864,496 0.959,497 1.233,498 0.992,499 1.073,500 1.009,501 0.972,502 1.028,503 0.7,504 1.134,505 1.06,506 1.155,507 0.865,508 1.133,509 0.752,510 0.927,511 0.947,512 0.971,513 0.778,514 0.971,515 0.76,516 0.856,517 0.902,518 0.906,519 0.952,520 0.911,521 0.82,522 0.871,523 0.906,524 0.905,525 1.169,526 0.91,527 3.5,529 2.5,530 0.84,531 1.058,532 0.622,533 0.33,534 0.233,535 0.118,536 0.047,537 4458,538 6858,539 2.215,540 55.3,541 9,542 8,543 1,545 1,547 7,550 1.637,551 2.136,552 2.941,553 -0.432,559 56.144,560 1.195,561 3.023,562 4.416,563 4.943,564 4.985,565 4.985,566 2.244,567 4.202,568 4.365,569 3.087,570 648.177,571 7.502,572 6797.14,574 1,577 261.066,578 1.166,579 4.35,580 0.146,582 0.081,583 0.026,584 0.034,585 0.023,586 0.014,587 0.013,588 0.008,589 0.005,590 0.35,591 0.67,592 1,593 0.837,594 93.211,595 0.077,596 -0.069,597 0.086,598 0.018,599 0.132,600 0.046,601 -0.064,602 -0.064,603 -0.04,604 -0.047,605 0.086,606 -0.043,607 -0.057,608 0.025,609 0.016,610 0.032,611 0.071,612 0.029,613 -0.134,614 0.038,615 -0.07,616 -0.011,617 -0.079,618 -0.032,619 0.006,620 -0.168,621 -0.097,622 -0.146,623 -0.054,624 -0.131,625 0.093,626 -0.006,627 0.004,628 -0.016,629 0.07,630 -0.012,631 0.003,632 0.04,633 0.034,634 0.042,635 -0.031,636 0.04,637 0.001,638 0.043,639 0.041,640 0.049,641 -0.049,642 0.047,643 0.571,644 0.868,645 0.762,646 14.395,647 0.975,648 1.127,649 3.509,650 12.311,651 0.641,652 3.219,653 3.555,654 3.829,655 4.127,656 4.369,657 4.5,658 4.635,659 4.771,660 4.82,661 4.754,662 4.882,663 0.582,664 282.47,665 3.219,666 4.762,667 5.638,668 6.532,669 7.426,670 8.326,671 9.225,672 10.127,673 11.028,674 11.932,675 4.3,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 47,716 10,717 1,718 24,720 50,721 19,722 8,723 4,724 2,730 4,731 7,736 1,740 6,741 1,743 7,745 8,746 11,747 1,764 26,765 1,766 1,767 2,773 2,777 0.5,788 1,790 1,792 1,793 2,796 1,797 1,815 1,819 2,823 1,827 21,833 8,837 2,838 1,854 9.833,855 8.45,856 4.611,857 3.406,858 2.1,859 1.297,860 1.011,861 3.601,862 9.17,863 3.401,864 3.975,865 4.555,866 5.16,867 5.639,868 6.002,869 6.372,870 6.734,871 6.726,872 6.866,873 0.8,874 32,875 7.844,877 3.368,878 7.206,879 16.238,881 14.525,883 1.706,884 35.833,885 0.004,887 1,888 294.278,889 76.808,890 19.91,895 76.808,896 294.278,897 19.91,898 8.825,899 19.419,900 37.476,902 28.854,903 13.915,904 282.506,906 294.278,907 96.718,911 211.88,912 82.398,915 48.154,916 48.564,919 294.278,920 19.91,921 76.808,924 294.278,925 30.507,926 49.426,927 16.786,929 294.278,930 19.91,931 76.808,933 0.576,934 0.326,935 0.187,936 0.102,937 19,938 7,939 0.1,940 5,941 2,942 1.25,943 3.442,944 170.311,945 0.25,946 16,947 90.239,951 13.539,952 5.585,953 2.795,954 2.763,955 3.124,956 8.947,958 3.368,961 3.197,963 16.786,964 390.996,965 29,975 45.807,976 52.979,977 0.215,978 0.544,979 0.795,980 0.89,981 0.898,982 0.898,983 4.659,984 0.964,985 5.617,986 2.858,987 4.234,988 4.659,989 0.673,990 6.454,991 4.191,992 5.846,993 0.82,994 7.188,995 2.058,996 3.892,997 4.527,998 0.325,999 7.445,1000 3.832,1001 7.155,1002 0.556,1003 8.861,1004 1.763,1005 5.866,1006 6.857,1007 0.379,1008 10.518,1009 5.783,1010 8.5,1011 0.115,1012 10.594,1013 1.367,1014 6.33,1015 7.622,1016 0.268,1017 12.307,1018 6.231,1019 9.881,1020 -0.358,1021 12.364,1022 0.249,1023 7.784,1024 9.446,1025 0.239,1026 14.916,1027 7.668,1028 11.287,1029 -0.677,1030 14.159,1031 -0.787,1032 8.605,1033 10.624,1034 0.188,1035 17.033,1036 8.475,1037 12.713,1038 -0.72,1039 15.972,1040 -1.397,1041 9.858,1042 12.257,1043 0.156,1044 19.488,1045 9.714,1046 3.185,1047 -1,1048 17.798,1049 -1.907,1050 10.845,1051 13.622,1052 0.125,1053 21.749,1054 10.69,1055 2.863,1056 10.961,1057 19.635,1058 -2.985,1059 12.019,1060 15.179,1061 0.102,1062 24.152,1063 11.853,1064 2.558,1065 9.16,1066 21.481,1067 4.525,1068 13.085,1069 16.626,1070 0.082,1071 26.479,1072 12.909,1073 2.329,1074 7.648,1075 23.333,1076 3.293,1077 14.231,1078 18.155,1079 0.066,1080 28.867,1081 14.046,1082 1.769,1083 7.179,1084 25.192,1085 2.852,1086 15.334,1087 19.637,1088 0.054,1089 31.225,1090 15.142,1091 1.551,1092 5.054,1093 27.055,1094 2.532,1095 16.473,1096 21.154,1097 0.043,1098 33.61,1099 16.272,1100 1.224,1101 4.131,1102 28.924,1103 2.453,1104 17.596,1105 22.651,1106 0.035,1107 35.984,1108 17.388,1109 4167,1110 5260,1111 16.701,1112 30.148,1113 36.181,1114 35.99,1115 36.839,1116 35.858,1117 35.868,1118 43.606,1119 1.6,1120 104.854,1121 35.081,1122 5.571,1123 5.345,1124 6.486,1125 5.214,1126 5.185,1127 7.525,1128 1.2,1129 18.175,1130 5.155,1131 5.769,1132 1.508,1133 1.5,1134 1.535,1135 1.494,1136 1.494,1137 1.817,1138 0.067,1139 4.369,1140 1.462,1141 4.155,1142 4.188,1143 4.107,1144 4.081,1145 4.968,1146 4.083,1147 3.93,1148 3.987,1149 3.81,1150 3.816,1151 4.411,1152 3.806,1153 3.731,1154 3.793,1155 3.61,1156 3.598,1157 4.291,1158 3.594,1159 3.57,1160 3.645,1161 3.403,1162 3.423,1163 4.129,1164 3.407,1165 3.308,1166 3.374,1167 3.164,1168 3.188,1169 3.965,1170 3.175,1171 3.07,1172 3.163,1173 2.874,1174 2.881,1175 3.676,1176 2.861,1177 3.029,1178 3.115,1179 2.843,1180 2.859,1181 3.543,1182 2.851,1183 2.746,1184 2.833,1185 2.547,1186 2.585,1187 3.293,1188 2.565,1189 0.191,1190 0.139,1191 0.28,1192 0.174,1193 0.133,1194 4.593,1195 0.189,1196 3.345,1197 0.033,1198 6.723,1199 0.457,1200 4.175,1201 0.131,1202 3.185,1203 4.525,1204 0.8,1205 10.961,1206 3.155,1207 2.028,1208 2.003,1209 2.138,1210 2.112,1211 1.475,1212 2.123,1213 1.714,1214 1.651,1215 1.937,1216 1.9,1217 1.212,1218 1.913,1219 1.537,1220 1.469,1221 1.772,1222 1.746,1223 1.035,1224 1.756,1225 1.466,1226 1.408,1227 1.665,1228 1.643,1229 0.973,1230 1.664,1231 1.378,1232 1.309,1233 1.639,1234 1.55,1235 0.825,1236 1.586,1237 1.153,1238 1.072,1239 1.513,1240 1.376,1241 0.77,1242 1.429,1243 1.142,1244 1.064,1245 1.441,1246 1.337,1247 0.636,1248 1.378,1249 0.903,1250 0.799,1251 1.315,1252 1.175,1253 0.497,1254 1.229,1255 3.892,1256 1.946,1257 5.22,1258 3.932,1259 6.756,1260 5.778,1261 8.39,1262 7.576,1263 10.076,1265 2.32,1271 10.678,1275 1.763,1276 2.798,1280 27.364,1281 56.144,1282 142.072,1283 207.556,1284 232.311,1285 234.311,1286 234.311,1287 23.147,1288 7.07,1289 19.03,1290 19.03,1291 20,1292 12.452,1293 3.459,1294 2.585,1295 27.869,1296 62,1297 56,1298 0.227,1299 165.33,1300 277.46,1301 395.166,1302 9885,1304 14.234,1305 0.678,1306 0.622,1307 14.234,1308 13.068,1309 10.348,1310 0.431,1311 0.361,1312 8.62,1313 10.18,1314 8.399,1315 6.951,1316 10.348,1317 8.667,1318 9.157,1319 0.269,1320 0.205,1321 9.157,1322 6.977,1323 7.635,1324 0.17,1325 0.112,1326 7.635,1327 5.058,1328 6.609,1329 0.108,1330 0.064,1331 6.609,1332 3.912,1333 5.382,1334 0.069,1335 0.038,1336 5.382,1337 2.992,1338 0.343,1339 63.115,1340 0.245,1341 20.465,1342 0.661,1343 116,1344 197.978,1345 120.135,1346 200.527,1347 293.2,1348 192,1349 140,1350 229.437,1351 144.829,1352 235.781,1353 350.52,1354 225,1355 7.125} {0 CHEMBL69943,1 1.356,2 12.161,3 4.739,4 22.46,5 125.637,6 6.23,7 0.294,8 4.276,9 4.416,10 3.692,11 3.803,12 5.182,13 3.742,14 4.901,15 5.113,16 4.082,17 4.257,18 5.726,19 4.164,20 5.236,21 5.475,22 4.157,23 4.467,24 6.054,25 4.337,26 5.395,27 5.671,28 4.139,29 4.494,30 6.268,31 4.332,32 5.349,33 5.622,34 3.917,35 4.406,36 6.173,37 4.227,38 5.257,39 5.552,40 3.836,41 4.344,42 5.904,43 4.14,44 5.242,45 5.55,46 3.799,47 4.293,48 5.9,49 4.088,50 5.14,51 5.439,52 3.805,53 4.232,54 5.814,55 4.052,56 0.067,57 0.977,58 16.647,59 6.748,60 8.345,61 9.785,62 0.3,63 1.653,64 31.223,65 11.543,66 19.964,67 17.248,68 0.358,69 2.129,70 43.532,71 15.608,72 37.978,73 23.235,74 0.512,75 2.274,76 50.582,77 18.018,78 80.507,79 26.779,80 0.608,81 2.112,82 48.913,83 16.596,84 77.385,85 24.47,86 0.343,87 1.984,88 43.289,89 16.15,90 35.999,91 24.106,92 0.451,93 1.915,94 42.777,95 15.325,96 42.727,97 23.252,98 0.304,99 1.785,100 38.705,101 13.679,102 29.296,103 20.889,104 28,105 49,106 0.216,107 0.491,108 0.709,109 0.818,110 0.842,111 0.842,112 3.472,113 1.061,114 -4.46,115 -4.39,116 -4.13,119 38.2,120 3,121 8,123 1,125 3,127 1,140 3,141 3,149 1,150 1,156 2,169 14,171 2,172 9,176 3,178 17,182 8,186 2,189 11,192 1,193 12,197 2,199 12,202 1,203 4,208 1,211 14,215 1,218 1,220 1,222 12,225 2,226 5,233 10,237 4,242 2,244 6,249 10,254 2,256 8,259 1701,260 20.731,261 20.731,262 20.731,263 20.731,264 20.731,265 19.314,266 22.815,267 12.13,268 20.961,269 16.756,270 16.756,271 16.756,272 16.756,273 16.756,274 14.483,275 24.462,276 5.645,277 17.11,278 4.731,279 3.004,280 1.629,281 0.945,282 0.798,283 0.798,284 4.165,288 1,289 1,290 820,291 4,294 71.503,295 260.48,298 121.673,299 127.025,302 1.715,303 26.63,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 65.5,315 377,316 4.593,317 3.967,318 6.843,319 4.304,320 3.309,321 4.525,322 2.049,323 11.394,324 3.292,325 4.382,326 3.364,327 6.722,328 4.174,329 3.183,330 3.515,331 1.798,332 10.959,333 3.154,334 3.908,335 3.341,336 6.229,337 3.737,338 2.79,339 3.292,340 0.8,341 9.116,342 2.643,343 3.834,344 3.054,345 6.13,346 3.683,347 2.715,348 2.899,349 0.314,350 9.014,351 2.617,352 3.661,353 3.009,354 5.695,355 3.342,356 2.368,357 2.762,359 7.553,360 2.301,361 3.303,362 2.531,363 4.956,364 2.932,365 1.879,366 2.476,368 5.321,369 1.961,370 3.183,371 2.003,372 4.769,373 2.776,374 1.785,375 2.414,377 5.066,378 1.767,379 2.748,380 1.953,381 4.43,382 2.669,383 1.68,384 1.751,386 4.349,387 1.659,388 2.643,389 1.69,390 3.825,391 2.468,392 1.482,393 1.702,395 3.272,396 1.457,397 2.534,398 1.388,399 3.788,400 2.205,401 1.224,402 1.523,404 2.858,405 1.199,406 2.122,407 1.315,408 3.428,409 2.02,410 1.032,411 1.074,413 2.11,414 1.015,415 2.089,416 0.959,417 3.386,418 1.804,419 0.827,420 0.993,422 2.058,423 0.806,424 1.967,425 0.914,426 3.209,427 1.65,428 0.667,429 0.824,431 1.505,432 0.652,433 1.715,434 0.737,435 3.181,436 1.489,437 0.509,438 0.605,440 1.155,441 0.497,442 1.109,443 0.617,444 3.001,445 0.992,446 0.008,447 0.008,449 0.018,450 0.008,451 14.867,452 0.48,453 0.882,454 0.028,455 30.5,456 0.984,457 11,458 0.355,459 19.5,460 0.629,461 38.047,462 1.227,463 35.533,464 0.523,465 20.625,466 0.665,467 5.061,468 0.163,469 9.815,470 0.317,471 0.146,472 0.034,473 0.289,479 0.692,480 1.457,481 0.963,482 1.242,483 0.529,484 1.143,485 0.683,486 1.155,487 0.932,488 1.039,489 0.493,490 1.007,491 1.098,492 1.125,493 1.118,494 1.109,495 0.941,496 1.107,497 0.908,498 1.032,499 0.947,500 1.025,501 0.853,502 0.993,503 1.643,504 0.935,505 1.221,506 0.973,507 1.798,508 1.051,509 0.642,510 1.042,511 0.963,512 1.052,513 0.584,514 1.044,515 0.627,516 0.919,517 0.896,518 0.915,519 0.574,520 0.929,521 0.699,522 0.944,523 0.909,524 0.938,525 0.483,526 0.933,527 7,528 0.226,529 4.222,530 2.5,531 1.813,532 0.806,533 0.477,534 0.471,535 0.379,536 0.268,537 13767,538 27423,539 2.057,540 54.4,541 11,542 10,543 1,545 1,546 4,547 10,550 1.735,551 1.908,552 3.534,553 -0.425,559 92.231,560 1.356,561 3.084,562 4.458,563 5.142,564 5.289,565 5.289,566 2.906,567 4.632,568 4.931,569 3.772,570 1754,571 8.598,572 25837.6,577 413.947,578 1.595,579 4.87,580 0.206,581 0.008,582 0.086,583 0.05,584 0.039,585 0.022,586 0.014,587 0.014,588 0.011,589 0.008,590 0.458,591 0.33,592 1,593 0.904,594 162.787,595 0.014,596 -0.15,597 0.063,598 -0.031,599 -0.003,600 0.011,601 0.13,602 0.024,603 0.079,604 0.046,605 0.063,606 0.055,607 -0.103,608 -0.031,609 -0.108,610 -0.076,611 -0.06,612 -0.087,613 0.088,614 -0.056,615 0.038,616 -0.039,617 0.164,618 -0.008,619 -0.224,620 0.028,621 -0.197,622 -0.016,623 -0.21,624 -0.096,625 0.025,626 -0.084,627 -0.018,628 -0.064,629 -0.007,630 -0.051,631 0.094,632 0.02,633 0.053,634 0.042,635 0.017,636 0.041,637 0.003,638 0.038,639 0.048,640 0.026,641 0.008,642 0.044,643 1.661,644 5.392,645 0.613,646 29.536,647 0.985,648 1.132,649 3.228,650 10.421,651 0.63,652 3.555,653 3.912,654 4.174,655 4.466,656 4.635,657 4.745,658 4.787,659 4.927,660 4.977,661 4.99,662 7.497,663 0.58,664 423.66,665 3.555,666 5.118,667 5.974,668 6.874,669 7.745,670 8.649,671 9.527,672 10.432,673 11.313,674 12.219,675 4.4,678 1,682 1,683 1,687 2,688 4,690 1,693 2,695 10,714 68,716 12,717 1,718 34,720 71,721 26,722 8,723 4,724 2,730 4,731 7,736 3,737 1,739 1,740 6,743 9,745 10,746 16,750 2,755 2,759 2,764 37,765 4,766 1,767 5,773 3,775 1,777 0.5,778 2,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 3,827 31,833 11,837 1,838 2,839 1,847 2.9,850 2,854 16.25,855 12.9,856 6.75,857 4.689,858 2.156,859 1.274,860 0.955,861 6.762,862 10.012,863 3.738,864 4.28,865 4.789,866 5.357,867 5.74,868 6.092,869 6.405,870 6.758,871 6.74,872 6.876,873 0.875,874 50,875 11.623,877 4.985,878 7.551,879 23.142,881 19.986,883 2.051,884 63.583,888 423.76,889 111.043,890 23.034,892 50.29,895 111.043,896 474.05,897 23.034,898 26.476,899 29.718,900 37.476,901 59.699,902 28.854,903 13.915,904 411.989,906 423.76,907 134.077,908 50.29,911 306.049,912 168.001,915 76.103,916 57.974,919 423.76,920 73.324,921 111.043,924 423.76,925 47.091,926 70.2,927 16.786,928 50.29,929 423.76,930 73.324,931 111.043,933 0.586,934 0.341,935 0.193,936 0.097,937 24,938 11,939 0.113,940 8,941 2,942 1.211,943 4.204,944 277.809,945 0.211,946 19,947 145.58,951 22.391,952 9.362,953 5.001,954 2.615,955 56.538,956 8.766,958 3.351,961 3.021,963 16.786,964 608.126,965 41,970 24.784,974 0.011,975 66.981,976 76.972,977 0.223,978 0.507,979 0.732,980 0.845,981 0.869,982 0.869,983 5.021,984 1.68,985 5.999,986 5.066,987 4.595,988 4.966,989 2.666,990 6.864,991 4.559,992 6.218,993 1.482,994 7.595,995 4.349,996 4.369,997 4.902,998 2.262,999 8.015,1000 4.324,1001 7.54,1002 1.224,1003 9.299,1004 3.272,1005 6.282,1006 7.107,1007 3.635,1008 11.048,1009 6.209,1010 8.895,1011 1.032,1012 11.065,1013 2.858,1014 6.858,1015 7.883,1016 3.801,1017 12.966,1018 6.777,1019 10.284,1020 0.827,1021 12.869,1022 2.11,1023 8.282,1024 9.63,1025 4.828,1026 15.569,1027 8.182,1028 11.695,1029 0.667,1030 14.697,1031 2.058,1032 9.196,1033 10.792,1034 5.253,1035 17.772,1036 9.093,1037 13.123,1038 0.509,1039 16.542,1040 1.505,1041 10.447,1042 12.38,1043 6.115,1044 20.241,1045 10.332,1046 3.309,1047 0.008,1048 18.399,1049 1.155,1050 11.506,1051 13.726,1052 6.671,1053 22.56,1054 11.39,1055 3.183,1056 11.394,1057 20.265,1058 0.018,1059 12.698,1060 15.258,1061 7.451,1062 24.987,1063 12.575,1064 2.79,1065 10.959,1066 22.137,1067 4.525,1068 13.819,1069 16.69,1070 8.077,1071 27.356,1072 13.695,1073 2.715,1074 9.116,1075 24.015,1076 3.515,1077 14.993,1078 18.203,1079 8.816,1080 29.77,1081 14.865,1082 2.368,1083 9.014,1084 25.897,1085 3.292,1086 16.142,1087 19.675,1088 9.479,1089 32.163,1090 16.013,1091 1.879,1092 7.553,1093 27.783,1094 2.899,1095 17.313,1096 21.183,1097 10.201,1098 34.575,1099 17.181,1100 1.785,1101 5.321,1102 29.672,1103 2.762,1104 18.476,1105 22.674,1106 10.885,1107 36.98,1108 18.343,1109 13082,1110 18565,1111 22.364,1112 42.87,1113 51.598,1114 53.24,1115 52.715,1116 50.842,1117 50.922,1118 60.724,1119 9.923,1120 151.494,1121 50.063,1122 5.593,1123 5.967,1124 6.617,1125 5.341,1126 5.309,1127 7.525,1128 3.493,1129 18.702,1130 5.292,1131 16.81,1132 1.518,1133 1.566,1134 1.55,1135 1.495,1136 1.498,1137 1.786,1138 0.292,1139 4.456,1140 1.472,1141 4.155,1142 4.189,1143 4.107,1144 4.081,1145 7.443,1146 4.083,1147 3.936,1148 3.979,1149 3.856,1150 3.79,1151 7.411,1152 3.796,1153 3.81,1154 3.874,1155 3.698,1156 3.656,1157 4.969,1158 3.657,1159 3.629,1160 3.694,1161 3.485,1162 3.499,1163 4.393,1164 3.487,1165 3.557,1166 3.633,1167 3.383,1168 3.406,1169 4.282,1170 3.388,1171 3.366,1172 3.438,1173 3.208,1174 3.197,1175 4.223,1176 3.189,1177 3.276,1178 3.335,1179 3.139,1180 3.111,1181 4.045,1182 3.116,1183 3.166,1184 3.187,1185 3.084,1186 2.933,1187 3.962,1188 2.958,1189 0.135,1190 0.117,1191 0.201,1192 0.127,1193 0.097,1194 4.593,1195 0.133,1196 3.967,1197 0.06,1198 6.843,1199 0.335,1200 4.304,1201 0.097,1202 3.309,1203 4.525,1204 2.049,1205 11.394,1206 3.292,1207 2.029,1208 2.004,1209 2.14,1210 2.115,1211 1.479,1212 2.126,1213 1.877,1214 1.836,1215 2.055,1216 2.047,1217 1.366,1218 2.047,1219 1.747,1220 1.684,1221 1.969,1222 1.925,1223 1.285,1224 1.941,1225 1.601,1226 1.533,1227 1.881,1228 1.786,1229 1.156,1230 1.82,1231 1.537,1232 1.468,1233 1.757,1234 1.745,1235 0.997,1236 1.754,1237 1.462,1238 1.407,1239 1.65,1240 1.628,1241 0.829,1242 1.646,1243 1.309,1244 1.24,1245 1.58,1246 1.553,1247 0.75,1248 1.567,1249 1.167,1250 1.096,1251 1.464,1252 1.392,1253 0.633,1254 1.421,1255 4.234,1257 5.58,1258 2.398,1259 7.117,1260 4.595,1261 8.753,1262 6.605,1263 10.442,1265 6.263,1271 10.226,1275 0.576,1276 4.159,1277 -0.19,1280 39.449,1281 92.231,1282 209.683,1283 303.153,1284 349.683,1285 359.683,1286 359.683,1287 66.351,1288 7.857,1289 56.41,1290 56.41,1291 23,1292 12.741,1293 3.7,1294 3,1295 49.615,1296 139,1297 123,1298 0.168,1299 241.409,1300 421.86,1301 580.797,1302 30817,1304 22.01,1305 0.71,1306 0.625,1307 22.01,1308 19.376,1309 14.876,1310 0.438,1311 0.354,1312 11.927,1313 14.474,1314 11.521,1315 9.588,1316 14.876,1317 12.029,1318 13.953,1319 0.285,1320 0.209,1321 13.953,1322 10.239,1323 11.164,1324 0.174,1325 0.111,1326 11.164,1327 7.096,1328 10.061,1329 0.117,1330 0.064,1331 10.061,1332 5.497,1333 7.234,1334 0.071,1335 0.039,1336 7.234,1337 3.939,1338 0.269,1339 91.978,1340 0.211,1341 29.358,1342 0.446,1343 166,1344 375.094,1345 177.312,1346 364.975,1347 500.86,1348 342,1349 196,1350 368.23,1351 207.48,1352 374.573,1353 550.3,1354 353,1355 7.585} {0 CHEMBL70409,1 1.216,2 7.176,3 3.233,4 10.453,5 72.776,6 5.907,7 0.333,8 3.702,9 3.852,10 3.069,11 3.248,12 4.607,13 3.168,14 4.277,15 4.508,16 3.43,17 3.655,18 5.084,19 3.55,20 4.492,21 4.717,22 3.358,23 3.82,24 5.316,25 3.657,26 4.665,27 4.961,28 3.244,29 3.811,30 5.342,31 3.593,32 4.567,33 4.881,34 3.175,35 3.654,36 5.247,37 3.451,38 4.322,39 4.594,40 2.887,41 3.481,42 5.056,43 3.276,44 4.331,45 4.673,46 2.467,47 3.293,48 4.829,49 2.997,50 4.04,51 4.42,52 2.438,53 2.867,54 4.592,55 2.63,56 0.05,57 0.549,58 9.612,59 3.854,60 7.042,61 5.713,62 0.13,63 0.888,64 16.644,65 6.399,66 13.003,67 9.556,68 0.129,69 1.067,70 20.471,71 8.074,72 19.477,73 12.006,74 0.115,75 1.115,76 23,77 9.548,78 20.467,79 13.987,80 0.126,81 0.996,82 20.852,83 7.951,84 20.394,85 12.016,86 0.127,87 0.829,88 16.883,89 6.078,90 16.11,91 9.351,92 0.084,93 0.714,94 15.836,95 6.459,96 11.436,97 9.524,98 0.083,99 0.517,100 11.793,101 3.968,102 12.121,103 6.313,104 18,105 26,106 0.223,107 0.526,108 0.73,109 0.752,110 0.761,111 0.761,112 2.908,113 1.056,114 -4.59,115 -4.51,116 -4.24,119 38.5,120 4,121 1,123 1,125 2,140 3,141 3,156 1,169 12,172 1,174 1,176 1,178 18,182 1,186 1,189 16,193 2,197 2,199 10,203 3,208 3,211 7,215 1,220 1,222 3,226 1,231 1,237 3,242 3,259 283,260 10.834,261 10.834,262 10.834,263 10.834,264 10.834,265 9.811,266 16.556,267 6.286,268 10.969,269 8.885,270 8.885,271 8.885,272 8.885,273 8.885,274 7.333,275 19.415,276 2.998,277 9.1,278 4.07,279 2.412,280 1.302,281 1.18,282 1.129,283 1.129,284 3.55,287 1,288 1,289 1,290 251,291 3,294 49.827,295 56.566,302 1.363,303 8.078,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 35,315 122,316 4.481,317 3.552,318 7.118,319 4.327,320 3.327,321 3.994,322 1.505,323 11.698,324 3.327,325 4.096,326 3.246,327 6.062,328 3.802,329 2.813,330 3.383,331 0.368,332 8.763,333 2.787,334 3.773,335 2.807,336 5.311,337 3.367,338 2.423,339 3.035,340 0.265,341 6.823,342 2.279,343 2.923,344 1.807,345 4.617,346 2.601,347 1.607,348 2.037,350 4.747,351 1.597,352 2.833,353 1.599,354 4.138,355 2.452,356 1.456,357 1.957,359 3.668,360 1.45,361 2.239,362 1.373,363 3.434,364 2.102,365 1.133,366 1.213,368 2.538,369 1.096,370 1.779,371 1.089,372 3,373 1.518,374 0.618,375 0.667,377 1.372,378 0.556,379 1.424,380 0.528,381 2.952,382 1.183,383 0.194,384 0.23,386 0.483,387 0.192,388 0.771,389 -0.186,390 2.65,391 0.445,392 -0.548,393 -0.657,395 -1.425,396 -0.543,397 0.529,398 -0.522,399 2.266,400 0.208,401 -0.784,402 -0.959,404 -2.178,405 -0.778,407 -1,408 2,410 -1,411 -1,413 -3,414 -1,416 -1,417 2,419 -1,420 -1,422 -3,423 -1,424 -0.062,425 -1.045,426 1.892,427 -0.333,428 -1.331,429 -1.553,431 -3.459,432 -1.327,433 -0.3,434 -1.088,435 1.309,436 -0.548,437 -1.521,438 -1.766,440 -3.956,441 -1.456,442 -0.455,443 -1.247,444 1.132,445 -0.718,446 -1.618,447 -1.92,449 -4.372,450 -1.474,451 8.3,452 0.488,453 0.621,454 0.037,455 17.5,456 1.029,457 7.5,458 0.441,459 10,460 0.588,461 16.309,462 0.959,463 19.3,464 0.495,465 9.661,466 0.568,467 3.146,468 0.185,469 4.819,470 0.283,471 0.241,472 0.06,473 0.241,479 1.029,480 1.357,481 1.063,482 1.205,483 1.263,484 1.148,485 0.989,486 0.935,487 0.872,488 0.878,489 0.79,490 0.869,491 1.349,492 1.2,493 1.362,494 1.291,495 1.441,496 1.321,497 0.485,498 1.067,499 0.946,500 1.093,501 0.79,502 1.057,503 0.715,504 0.984,505 0.822,506 0.918,507 0.696,508 0.884,509 1.619,510 1.155,511 1.374,512 1.225,513 1.645,514 1.274,515 0.413,516 0.969,517 0.887,518 1.019,519 0.653,520 0.99,521 0.624,522 0.804,523 0.447,524 0.575,525 0.304,526 0.512,527 5,529 2.222,530 1.16,531 1.008,532 0.472,533 0.247,534 0.202,535 0.117,536 0.074,537 2225,538 3851,539 1.947,540 56.4,541 12,542 7,545 1,546 2,550 1.567,551 1.774,552 2.849,553 -0.371,555 1,557 1,559 47.42,560 1.216,561 2.873,562 3.983,563 4.105,564 4.156,565 4.156,566 2.257,567 3.455,568 4.059,569 3.019,570 410.567,571 6.853,572 3707.57,573 1,574 1,576 1,577 206.131,578 1.735,579 3.975,580 0.278,582 0.085,583 0.053,584 0.053,585 0.026,586 0.021,587 0.029,588 0.015,589 0.012,590 0.572,591 0.83,592 1,593 0.972,594 70.273,595 0.03,596 -0.083,597 0.042,598 -0.013,599 -0.193,600 0.01,601 0.178,602 0.197,603 0.18,604 0.188,605 0.237,606 0.185,607 -0.296,608 -0.073,609 -0.327,610 -0.217,611 -0.326,612 -0.264,613 0.077,614 -0.135,615 -0.009,616 -0.084,617 0.026,618 -0.057,619 0.126,620 -0.065,621 0.126,622 0.039,623 0.216,624 0.075,625 -0.332,626 -0.107,627 -0.361,628 -0.251,629 -0.462,630 -0.298,631 0.1,632 -0.141,633 0.005,634 -0.081,635 0.013,636 -0.05,637 0.381,638 -0.02,639 0.461,640 0.257,641 0.592,642 0.346,643 1.021,644 1.449,645 0.647,646 11.349,647 0.975,648 1.132,649 3.358,650 11.277,651 0.631,652 2.944,653 3.296,654 3.434,655 3.584,656 3.689,657 3.689,658 3.714,659 3.584,660 3.434,661 3.296,662 4.575,663 0.572,664 230.39,665 2.944,666 4.489,667 5.303,668 6.18,669 7.018,670 7.892,671 8.739,672 9.611,673 10.463,674 11.333,675 5.1,677 1,684 1,688 3,693 3,695 6,714 39,716 7,717 1,718 18,720 40,721 15,722 6,723 3,724 3,730 2,731 2,736 4,737 1,743 1,745 7,746 8,750 1,758 1,759 1,761 1,764 22,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 4,827 17,833 3,834 1,839 1,854 9.583,855 8.2,856 3.611,857 2.407,858 1.432,859 1.244,860 0.927,861 3.345,862 7.307,863 3.135,864 3.701,865 4.131,866 4.579,867 5.014,868 5.132,869 5.312,870 5.317,871 5.303,872 5.197,873 0.8,874 22,875 6.298,877 2.536,878 7.377,879 12.602,881 10.285,883 1.877,884 31.917,885 0.006,888 247.193,889 82.36,890 34.796,895 82.36,896 247.193,897 34.796,898 35.301,899 6.746,900 46.439,901 2.328,902 26.342,904 247.193,906 247.193,907 117.156,911 247.193,915 76.843,916 40.313,919 247.193,920 34.796,921 82.36,924 247.193,925 18.631,926 63.73,927 18.011,928 16.786,929 247.193,930 34.796,931 82.36,933 0.599,934 0.322,935 0.151,936 0.076,937 13,938 6,939 0.075,940 3,942 1,943 2.882,944 113.667,946 11,947 62.732,951 12.318,952 4.617,953 2.949,955 34.796,956 6.807,961 4.153,963 18.011,964 364.35,965 22,973 4.449,974 1.136,975 38.04,976 44.149,977 0.23,978 0.544,979 0.754,980 0.777,981 0.786,982 0.786,983 4.401,984 0.194,985 5.361,986 1.372,987 3.97,988 4.382,989 1.696,990 6.205,991 3.933,992 5.636,993 -0.548,994 6.961,995 0.483,996 3.892,997 4.35,998 0.904,999 7.476,1000 3.868,1001 6.972,1002 -0.784,1003 8.68,1004 -1.425,1005 5.68,1006 6.52,1007 2.113,1008 10.413,1009 5.627,1010 8.343,1011 -1,1012 10.47,1013 -2.178,1014 6.365,1015 7.205,1016 1.864,1017 12.445,1018 6.328,1019 9.742,1020 -1,1021 12.304,1022 -3,1023 7.731,1024 8.939,1025 2.717,1026 15.024,1027 7.681,1028 11.158,1029 -1.331,1030 14.168,1031 -3,1032 8.712,1033 9.942,1034 2.755,1035 17.321,1036 8.675,1037 12.588,1038 -1.521,1039 16.054,1040 -3.459,1041 9.946,1042 11.496,1043 3.416,1044 19.806,1045 9.905,1046 3.327,1047 -1.618,1048 17.955,1049 -3.956,1050 11.045,1051 12.661,1052 3.615,1053 22.201,1054 11.013,1055 2.813,1056 11.698,1057 19.868,1058 -4.372,1059 12.239,1060 14.129,1061 4.169,1062 24.661,1063 12.208,1064 2.423,1065 8.763,1066 21.79,1067 3.994,1068 13.388,1069 15.383,1070 4.458,1071 27.093,1072 13.362,1073 1.607,1074 6.823,1075 23.719,1076 3.383,1077 14.574,1078 16.809,1079 4.951,1080 29.548,1081 14.55,1082 1.456,1083 4.747,1084 25.655,1085 3.035,1086 15.745,1087 18.114,1088 5.291,1089 31.995,1090 15.725,1091 1.133,1092 3.668,1093 27.595,1094 2.037,1095 16.932,1096 19.518,1097 5.749,1098 34.451,1099 16.914,1100 0.618,1101 2.538,1102 29.539,1103 1.957,1104 18.115,1105 20.854,1106 6.119,1107 36.904,1108 18.1,1109 2301,1110 3097,1111 11.326,1112 24.625,1113 27.54,1114 27.719,1115 27.045,1116 27.062,1117 27.143,1118 33.031,1119 4.277,1120 80.184,1121 26.567,1122 5.378,1123 5.552,1124 6.732,1125 5.335,1126 5.327,1127 6.994,1128 2.65,1129 18.713,1130 5.327,1131 9.389,1132 1.53,1133 1.54,1134 1.503,1135 1.503,1136 1.508,1137 1.835,1138 0.238,1139 4.455,1140 1.476,1141 4.009,1142 4.043,1143 3.944,1144 3.953,1145 4.794,1146 3.947,1147 3.778,1148 3.848,1149 3.684,1150 3.601,1151 4.653,1152 3.609,1153 3.591,1154 3.655,1155 3.444,1156 3.461,1157 4.232,1158 3.453,1159 3.147,1160 3.236,1161 2.935,1162 2.996,1163 3.869,1164 2.971,1165 3.07,1166 3.147,1167 2.881,1168 2.936,1169 3.61,1170 2.913,1171 2.874,1172 3.009,1173 2.499,1174 2.618,1175 3.496,1176 2.57,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.657,1184 2.743,1185 2.458,1186 2.503,1187 3.467,1188 2.481,1189 0.249,1190 0.197,1191 0.395,1192 0.24,1193 0.185,1194 4.481,1195 0.222,1196 3.552,1197 0.084,1198 7.118,1199 0.65,1200 4.327,1201 0.185,1202 3.327,1203 3.994,1204 1.505,1205 11.698,1206 3.327,1207 1.988,1208 1.963,1209 2.112,1210 2.062,1211 1.325,1212 2.08,1213 1.663,1214 1.608,1215 1.895,1216 1.816,1217 1.098,1218 1.845,1219 1.446,1220 1.364,1221 1.73,1222 1.681,1223 1.004,1224 1.704,1225 1.376,1226 1.305,1227 1.6,1228 1.606,1229 0.749,1230 1.605,1231 1.173,1232 1.093,1233 1.492,1234 1.382,1235 0.563,1236 1.429,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.805,1250 0.726,1251 1.108,1252 1.058,1253 0.222,1254 1.087,1255 3.611,1257 4.949,1258 2.398,1259 6.457,1260 4.443,1261 8.042,1262 6.26,1263 9.669,1265 8.957,1271 2.86,1272 3.327,1277 0.229,1280 22.311,1281 47.42,1282 112.052,1283 155.337,1284 160.092,1285 162.092,1286 162.092,1287 22.351,1288 5.875,1289 24.39,1290 24.39,1291 11,1292 11.879,1293 3,1294 2.322,1295 28.505,1296 47,1297 36,1298 0.316,1299 141.748,1300 243.88,1301 337.625,1302 2041,1304 12.466,1305 0.733,1306 0.665,1307 12.466,1308 11.301,1309 7.965,1310 0.443,1311 0.352,1312 6.3,1313 7.825,1314 5.905,1315 5.021,1316 7.965,1317 6.339,1318 8,1319 0.308,1320 0.224,1321 8,1322 5.823,1323 5.683,1324 0.189,1325 0.11,1326 5.683,1327 3.31,1328 4.27,1329 0.122,1330 0.06,1331 4.27,1332 2.106,1333 3.077,1334 0.079,1335 0.035,1336 3.077,1337 1.377,1338 0.482,1339 48.7,1340 0.297,1341 17.116,1342 0.899,1343 88,1344 169.978,1345 91.497,1346 174.052,1347 244.22,1348 164,1349 100,1350 182.803,1351 103.358,1352 192.969,1353 275.16,1354 179,1355 5.777} {0 CHEMBL70431,1 1.439,2 8.72,3 3.711,4 13.771,5 100.587,6 6.567,7 0.37,8 4.016,9 4.156,10 3.465,11 3.541,12 5.024,13 3.493,14 4.599,15 4.802,16 3.829,17 3.965,18 5.562,19 3.886,20 4.894,21 5.131,22 3.956,23 4.145,24 5.92,25 4.042,26 4.987,27 5.224,28 3.969,29 4.235,30 5.871,31 4.114,32 5.094,33 5.349,34 3.942,35 4.274,36 5.953,37 4.121,38 5.149,39 5.437,40 3.835,41 4.211,42 5.98,43 4.04,44 5.029,45 5.321,46 3.66,47 4.052,48 5.906,49 3.878,50 4.801,51 5.08,52 3.45,53 3.844,54 5.715,55 3.673,56 0.051,57 0.755,58 12.192,59 4.914,60 8.524,61 7.039,62 0.18,63 1.225,64 22.456,65 8.417,66 26.034,67 12.367,68 0.396,69 1.52,70 30.799,71 10.919,72 70.887,73 16.198,74 0.305,75 1.661,76 33.548,77 12.363,78 38.461,79 18.141,80 0.303,81 1.772,82 37.307,83 14.091,84 43.858,85 20.628,86 0.357,87 1.753,88 39.989,89 13.931,90 54.843,91 20.87,92 0.418,93 1.507,94 35.854,95 11.915,96 63.024,97 17.953,98 0.375,99 1.22,100 28.529,101 9.478,102 50.746,103 14.167,104 45,105 38,106 0.243,107 0.577,108 0.776,109 0.814,110 0.814,111 0.814,112 3.268,113 1.029,114 -3.43,115 -3.41,116 -3.26,119 38.5,120 2,121 5,125 2,127 1,140 2,141 4,149 1,150 1,155 1,156 1,161 1,162 1,163 1,169 10,172 5,173 1,174 1,176 3,178 11,181 1,182 6,183 1,184 1,186 3,189 11,191 1,193 4,195 1,197 3,199 10,201 1,203 6,206 1,207 1,208 2,210 1,211 11,213 1,215 6,218 1,220 4,222 9,224 3,225 1,226 3,231 2,233 8,235 2,236 1,237 1,239 1,240 1,242 3,244 6,246 1,249 2,254 2,256 2,259 897,260 16.93,261 16.93,262 16.93,263 16.93,264 16.93,265 15.545,266 16.866,267 10.02,268 17.05,269 13.225,270 13.225,271 13.225,272 13.225,273 13.225,274 10.954,275 17.928,276 4.528,277 13.417,278 4.261,279 2.279,280 1.097,281 0.875,282 0.875,283 0.875,284 3.946,287 1,288 1,289 1,290 452,291 4,294 47.093,295 101.328,298 80.268,299 86.512,302 1.274,303 25.282,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 53.5,315 218,316 4.725,317 3.823,318 7.005,319 4.309,320 3.311,321 4.671,322 0.98,323 11.956,324 3.305,325 4.115,326 3.357,327 6.264,328 3.864,329 2.881,330 3.524,331 0.8,332 9.335,333 2.86,334 3.861,335 3.048,336 6.068,337 3.647,338 2.66,339 3.206,341 8.621,342 2.591,343 3.656,344 2.849,345 5.677,346 3.322,347 2.335,348 2.761,350 7.351,351 2.294,352 3.277,353 2.529,354 4.932,355 2.833,356 1.838,357 2.565,359 5.275,360 1.823,361 2.904,362 1.979,363 4.598,364 2.603,365 1.624,366 2.005,368 4.442,369 1.588,370 2.673,371 1.7,372 4.406,373 2.53,374 1.527,375 1.68,377 4.148,378 1.526,379 2.444,380 1.598,381 3.711,382 2.237,383 1.247,384 1.294,386 2.166,387 1.233,388 2.247,389 1.298,390 3.369,391 1.908,392 0.901,393 1.247,395 2.117,396 0.898,397 2.114,398 0.915,399 3.247,400 1.808,401 0.834,402 0.963,404 2.012,405 0.81,406 1.986,407 0.854,408 3.121,409 1.654,410 0.651,411 0.774,413 1.213,414 0.649,415 1.649,416 0.669,417 2.82,418 1.475,419 0.447,420 0.588,422 0.912,423 0.457,424 0.892,425 0.225,426 2.535,427 0.637,428 -0.348,429 -0.401,431 -0.632,432 -0.343,433 0.772,434 -0.164,435 2.302,436 0.521,437 -0.445,438 -0.445,440 -0.832,441 -0.428,442 0.555,443 -0.287,444 2.226,445 0.404,446 -0.597,447 -0.727,449 -1.632,450 -0.595,451 11.867,452 0.475,453 0.61,454 0.024,455 26.5,456 1.06,457 11,458 0.44,459 15.5,460 0.62,461 26.103,462 1.044,463 28.333,464 0.545,465 19.014,466 0.761,467 4.759,468 0.19,469 7.303,470 0.292,471 0.174,473 0.371,479 0.738,480 1.32,481 0.925,482 1.142,483 0.611,484 1.06,485 0.665,486 1.144,487 0.881,488 1.043,489 0.437,490 0.99,491 0.73,492 0.991,493 0.884,494 0.942,495 0.511,496 0.928,497 0.787,498 1.062,499 0.988,500 1.066,501 0.66,502 1.052,503 0.59,504 1.142,505 0.958,506 1.178,507 0.609,508 1.129,509 0.761,510 0.999,511 0.908,512 1.017,513 0.743,514 0.987,515 0.964,516 0.922,517 0.949,518 0.935,519 1.047,520 0.941,521 1.026,522 0.944,523 1.06,524 1.01,525 1.146,526 1.037,527 4.5,528 0.066,529 3.333,530 1.563,531 1.543,532 1.077,533 0.663,534 0.498,535 0.317,536 0.201,537 5920,538 13482,539 2.015,540 51.9,541 8,542 7,543 1,545 3,547 8,550 1.688,551 1.852,552 3.148,553 0.926,555 1,559 74.847,560 1.439,561 3.422,562 4.604,563 4.825,564 4.825,565 4.825,566 2.519,567 4.164,568 4.613,569 3.267,570 980.07,571 8.02,572 11516,574 1,576 1,577 296.423,578 1.516,579 4.555,580 0.167,581 0.008,582 0.088,583 0.037,584 0.037,585 0.028,586 0.019,587 0.018,588 0.014,589 0.013,590 0.428,591 0.33,592 1,593 1.57,594 118.06,595 -0.05,596 -0.025,597 0.032,598 0.031,599 -0.04,600 0.042,601 0.063,602 0.012,603 0.078,604 0.04,605 0.123,606 0.059,607 0.138,608 0.072,609 0.088,610 0.085,611 0.244,612 0.084,613 -0.001,614 -0.004,615 -0.03,616 -0.023,617 0.032,618 -0.028,619 0.096,620 -0.145,621 -0.017,622 -0.142,623 0.054,624 -0.104,625 0.034,626 -0.067,627 0.049,628 -0.044,629 0.016,630 -0.003,632 -0.011,633 0.028,634 0.014,635 -0.057,636 0.022,637 -0.004,638 -0.001,639 -0.077,640 -0.057,641 -0.094,642 -0.075,643 2.565,644 5.221,645 0.52,646 19.936,647 0.992,648 1.133,649 2.202,650 4.851,651 0.636,652 3.332,653 3.664,654 3.989,655 4.29,656 4.554,657 4.718,658 4.883,659 5.03,660 5.106,661 5.088,662 5.412,663 0.593,664 341.5,665 3.332,666 4.875,667 5.746,668 6.645,669 7.546,670 8.457,671 9.369,672 10.285,673 11.203,674 12.123,675 5.8,678 1,682 1,683 1,687 2,688 3,690 1,693 3,695 10,700 1,714 52,716 12,717 1,718 27,720 54,721 20,722 8,723 4,724 2,725 2,730 3,731 6,736 2,740 4,743 6,745 10,746 10,750 2,755 2,759 2,761 1,764 27,765 4,766 3,767 5,773 3,777 0.333,778 2,788 1,792 1,793 2,796 1,797 1,804 1,815 1,819 1,823 2,827 25,828 1,833 7,837 1,838 1,847 3.8,850 2,854 13.5,855 9.7,856 5.694,857 3.649,858 2.297,859 1.311,860 0.971,861 5.48,862 9.68,863 3.555,864 4.131,865 4.761,866 5.372,867 5.92,868 6.352,869 6.749,870 7.141,871 7.32,872 7.517,873 0.833,874 42,875 9.328,877 3.985,878 7.74,879 18.135,881 15.254,883 2.24,884 56,886 1,887 1,888 282.506,889 86.646,890 52.807,892 50.29,895 86.646,896 332.796,897 52.807,898 17.65,899 49.781,900 28,901 60.128,902 32.04,903 13.915,904 270.735,906 282.506,907 139.453,908 50.29,911 188.338,912 144.459,915 87.342,916 52.112,919 282.506,920 103.097,921 86.646,924 282.506,925 40.996,926 48.775,927 16.786,928 83.187,929 282.506,930 103.097,931 86.646,933 0.572,934 0.349,935 0.196,936 0.112,937 18,938 9,939 0.13,940 7,941 2,942 1.308,943 3.5,944 212.882,945 0.308,946 13,947 110.096,951 18,952 7.611,953 3.454,954 1.792,955 86.311,956 5.77,958 3.126,961 2.907,963 49.683,964 472.25,965 34,970 23.624,974 -1.509,975 51.563,976 58.896,977 0.253,978 0.6,979 0.808,980 0.846,981 0.846,982 0.846,983 4.808,984 1.247,985 5.746,986 4.148,987 4.344,988 4.816,989 1.356,990 6.616,991 4.321,992 6.011,993 0.901,994 7.344,995 2.166,996 4.007,997 4.771,998 0.325,999 7.656,1000 3.986,1001 7.334,1002 0.834,1003 9.047,1004 2.117,1005 5.984,1006 7.053,1007 1.195,1008 10.8,1009 5.941,1010 8.699,1011 0.651,1012 10.811,1013 2.012,1014 6.494,1015 7.901,1016 0.268,1017 12.677,1018 6.459,1019 10.102,1020 0.447,1021 12.613,1022 1.213,1023 7.946,1024 9.69,1025 1.112,1026 15.354,1027 7.894,1028 11.532,1029 -0.348,1030 14.441,1031 0.912,1032 8.825,1033 10.927,1034 0.188,1035 17.571,1036 8.782,1037 12.984,1038 -0.445,1039 16.288,1040 -0.632,1041 10.088,1042 12.549,1043 1.054,1044 20.101,1045 10.034,1046 3.311,1047 -0.597,1048 18.15,1049 -0.832,1050 11.131,1051 13.958,1052 0.125,1053 22.465,1054 11.083,1055 2.881,1056 11.956,1057 20.023,1058 -1.632,1059 12.327,1060 15.522,1061 1.007,1062 24.95,1063 12.274,1064 2.66,1065 9.335,1066 21.905,1067 4.671,1068 13.443,1069 17.006,1070 0.082,1071 27.377,1072 13.393,1073 2.335,1074 8.621,1075 23.795,1076 3.524,1077 14.62,1078 18.552,1079 0.969,1080 29.852,1081 14.569,1082 1.838,1083 7.351,1084 25.692,1085 3.206,1086 15.77,1087 20.067,1088 0.054,1089 32.307,1090 15.721,1091 1.624,1092 5.275,1093 27.595,1094 2.761,1095 16.945,1096 21.608,1097 0.935,1098 34.781,1099 16.895,1100 1.527,1101 4.442,1102 29.502,1103 2.565,1104 18.112,1105 23.138,1106 0.035,1107 37.249,1108 18.063,1109 6013,1110 9295,1111 17.512,1112 33.063,1113 41.076,1114 42.34,1115 42.879,1116 40.555,1117 40.508,1118 50.555,1119 3.56,1120 119.094,1121 40.062,1122 5.67,1123 5.823,1124 6.807,1125 5.326,1126 5.311,1127 7.671,1128 1.96,1129 19.416,1130 5.305,1131 14.285,1132 1.521,1133 1.568,1134 1.588,1135 1.502,1136 1.5,1137 1.872,1138 0.132,1139 4.411,1140 1.484,1141 4.17,1142 4.198,1143 4.133,1144 4.096,1145 7.503,1146 4.102,1147 3.826,1148 3.89,1149 3.722,1150 3.672,1151 7.355,1152 3.676,1153 3.647,1154 3.697,1155 3.559,1156 3.5,1157 4.937,1158 3.498,1159 3.51,1160 3.586,1161 3.408,1162 3.348,1163 4.867,1164 3.321,1165 3.501,1166 3.549,1167 3.279,1168 3.301,1169 4.383,1170 3.32,1171 3.264,1172 3.332,1173 3.129,1174 3.083,1175 4.231,1176 3.098,1177 3.046,1178 3.14,1179 2.849,1180 2.869,1181 4.04,1182 2.853,1183 3.011,1184 3.103,1185 2.823,1186 2.804,1187 3.94,1188 2.795,1189 0.175,1190 0.142,1191 0.259,1192 0.16,1193 0.123,1194 4.725,1195 0.173,1196 3.823,1197 0.036,1198 7.005,1199 0.443,1200 4.309,1201 0.122,1202 3.311,1203 4.671,1204 0.98,1205 11.956,1206 3.305,1207 2.033,1208 2.01,1209 2.139,1210 2.116,1211 1.479,1212 2.126,1213 1.741,1214 1.678,1215 1.965,1216 1.926,1217 1.233,1218 1.941,1219 1.604,1220 1.581,1221 1.861,1222 1.819,1223 1.09,1224 1.785,1225 1.539,1226 1.467,1227 1.752,1228 1.738,1229 1,1230 1.782,1231 1.53,1232 1.459,1233 1.694,1234 1.714,1235 0.789,1236 1.725,1237 1.202,1238 1.147,1239 1.484,1240 1.503,1241 0.686,1242 1.487,1243 1.17,1244 1.098,1245 1.401,1246 1.39,1247 0.551,1248 1.426,1249 0.988,1250 0.884,1251 1.36,1252 1.246,1253 0.403,1254 1.294,1255 4.007,1257 5.333,1258 2.398,1259 6.868,1260 4.727,1261 8.507,1262 6.862,1263 10.206,1265 4.431,1269 5.238,1271 7.557,1275 0.49,1276 2.573,1280 30.815,1281 74.847,1282 177.92,1283 239.403,1284 250.913,1285 250.913,1286 250.913,1287 51.444,1288 7.383,1289 79.19,1290 79.19,1291 17,1292 12.632,1293 3.7,1294 3,1295 41.43,1296 79,1297 84,1298 0.262,1299 191.248,1300 330.42,1301 458.405,1302 14191,1304 17.974,1305 0.719,1306 0.604,1307 17.974,1308 15.1,1309 12.062,1310 0.447,1311 0.343,1312 9.178,1313 11.721,1314 8.921,1315 7.446,1316 12.062,1317 9.263,1318 10.594,1319 0.279,1320 0.183,1321 10.594,1322 6.954,1323 9.113,1324 0.172,1325 0.099,1326 9.113,1327 5.244,1328 7.598,1329 0.106,1330 0.058,1331 7.598,1332 4.143,1333 6.305,1334 0.067,1335 0.033,1336 6.305,1337 3.098,1338 0.395,1339 74.845,1340 0.239,1341 23.62,1342 0.767,1343 130,1344 330.761,1345 139.48,1346 322.171,1347 438.75,1348 300,1349 156,1350 320.554,1351 165.814,1352 325.645,1353 482.07,1354 308,1355 7.06} {0 CHEMBL70589,1 1.266,2 7.955,3 4.702,4 22.107,5 92.304,6 6.287,7 0.417,8 3.905,9 4.048,10 3.336,11 3.47,12 4.85,13 3.404,14 4.501,15 4.716,16 3.671,17 3.895,18 5.281,19 3.794,20 4.796,21 5.053,22 3.778,23 4.074,24 5.543,25 3.944,26 4.885,27 5.143,28 3.779,29 4.148,30 5.648,31 3.998,32 4.973,33 5.25,34 3.676,35 4.162,36 5.678,37 3.97,38 4.996,39 5.309,40 3.534,41 4.061,42 5.702,43 3.846,44 4.82,45 5.144,46 3.307,47 3.868,48 5.533,49 3.647,50 4.515,51 4.812,52 3.098,53 3.634,54 5.287,55 3.429,56 0.056,57 0.681,58 11.234,59 4.554,60 9.933,61 6.663,62 0.13,63 1.135,64 20.499,65 7.802,66 11.519,67 11.652,68 0.186,69 1.434,70 27.483,71 10.218,72 20.789,73 15.4,74 0.224,75 1.552,76 30.015,77 11.477,78 24.603,79 17.081,80 0.176,81 1.609,82 32.347,83 12.984,84 24.507,85 19.151,86 0.244,87 1.57,88 33.234,89 12.474,90 33.249,91 18.76,92 0.222,93 1.292,94 27.822,95 10.379,96 31.118,97 15.611,98 0.136,99 0.985,100 20.456,101 7.749,102 20.709,103 11.633,104 24,105 33,106 0.218,107 0.547,108 0.755,109 0.797,110 0.797,111 0.797,112 3.148,113 1.068,114 -4.48,115 -4.4,116 -4.15,119 40.4,120 2,121 5,125 2,127 1,140 2,141 4,149 1,150 1,156 1,169 10,172 5,176 3,178 11,182 5,186 2,189 11,193 3,195 1,197 2,199 10,203 5,208 1,211 11,215 3,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 6,249 2,254 2,256 2,259 602,260 15.386,261 15.386,262 15.386,263 15.386,264 15.386,265 14.145,266 16.88,267 9.213,268 15.561,269 11.722,270 11.722,271 11.722,272 11.722,273 11.722,274 9.686,275 19.123,276 4.082,277 12.027,278 4.289,279 2.378,280 1.171,281 0.926,282 0.926,283 0.926,284 3.83,288 1,289 1,290 369,291 3.317,294 40.473,295 85.808,298 68.667,299 73.354,302 1.149,303 11.377,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45.5,315 175,316 4.695,317 4.075,318 6.919,319 4.257,320 3.266,321 4.654,322 2.035,323 11.66,324 3.237,325 3.986,326 3.359,327 6.165,328 3.779,329 2.827,330 3.379,331 0.8,332 9.131,333 2.696,334 3.727,335 3.033,336 5.828,337 3.435,338 2.459,339 2.878,341 7.946,342 2.392,343 3.559,344 2.636,345 5.112,346 2.959,347 1.981,348 2.736,350 5.898,351 1.934,352 3.141,353 2.026,354 4.648,355 2.634,356 1.65,357 2.144,359 4.678,360 1.623,361 2.738,362 1.86,363 4.408,364 2.569,365 1.584,366 1.681,368 4.221,369 1.557,370 2.672,371 1.685,372 3.701,373 2.237,374 1.247,375 1.334,377 2.165,378 1.233,379 2.247,380 1.298,381 3.315,382 1.857,383 0.887,384 1.247,386 2.117,387 0.858,388 2.202,389 0.924,390 3.247,391 1.8,392 0.834,393 0.959,395 1.91,396 0.805,397 1.993,398 0.901,399 2.867,400 1.607,401 0.629,402 0.712,404 0.998,405 0.614,406 1.65,407 0.702,408 2.695,409 1.258,410 0.314,411 0.538,413 0.488,414 0.295,415 0.892,416 -0.03,417 2.523,418 0.637,419 -0.349,420 -0.401,422 -0.632,423 -0.343,424 0.808,425 -0.219,426 2.252,427 0.521,428 -0.445,429 -0.445,431 -0.832,432 -0.428,433 0.555,434 -0.287,435 2.163,436 0.372,437 -0.605,438 -0.767,440 -1.477,441 -0.59,442 0.289,443 -0.664,444 2,445 0.044,446 -0.944,447 -1.059,449 -1.874,450 -0.93,451 10.7,452 0.486,453 0.393,454 0.018,455 24.5,456 1.114,457 11,458 0.5,459 13.5,460 0.614,461 22.061,462 1.003,463 24.1,464 0.513,465 14.322,466 0.651,467 4.103,468 0.187,469 6.675,470 0.303,471 0.131,473 0.318,479 0.939,480 1.324,481 0.971,482 1.146,483 0.479,484 1.075,485 1.114,486 1.104,487 0.973,488 1.003,489 0.398,490 0.982,491 1.083,492 0.991,493 0.927,494 0.922,495 0.44,496 0.915,497 1.005,498 1,499 1.041,500 1.03,501 0.668,502 1.037,503 0.66,504 1.126,505 1.015,506 1.148,507 0.665,508 1.115,509 0.777,510 0.953,511 0.923,512 0.971,513 0.911,514 0.96,515 0.845,516 0.796,517 0.896,518 0.86,519 1.075,520 0.878,521 0.921,522 1.003,523 1.027,524 1.04,525 1.102,526 1.042,527 3.5,529 2.667,530 1.41,531 1.223,532 0.722,533 0.517,534 0.314,535 0.177,536 0.121,537 4315,538 8297,539 2.07,540 53.2,541 8,542 7,543 1,545 1,547 8,550 1.652,551 1.941,552 3.013,553 -0.399,559 59.504,560 1.266,561 3.177,562 4.384,563 4.629,564 4.629,565 4.629,566 2.431,567 3.914,568 4.429,569 3.128,570 722.647,571 7.644,572 7766.53,574 1,577 261.066,578 1.395,579 4.392,580 0.146,582 0.081,583 0.039,584 0.035,585 0.024,586 0.021,587 0.016,588 0.011,589 0.012,590 0.384,591 0.67,592 1,593 1.504,594 99.107,595 0.033,596 -0.098,597 0.057,598 -0.011,599 0.12,600 0.019,601 -0.044,602 0.01,603 0.039,604 0.044,605 0.036,606 0.047,607 -0.031,608 0.044,609 0.069,610 0.08,611 0.091,612 0.081,613 -0.02,614 0.028,615 -0.053,616 -0.022,617 0.061,618 -0.037,619 0.032,620 -0.174,621 -0.06,622 -0.135,623 0.03,624 -0.11,625 0.097,626 -0.045,627 0.036,628 -0.017,629 0.005,630 0.001,631 0.058,632 0.1,633 0.063,634 0.082,635 -0.038,636 0.074,637 -0.049,638 -0.067,639 -0.065,640 -0.069,641 -0.086,642 -0.068,643 0.87,644 3.389,645 0.591,646 15.636,647 0.979,648 1.129,649 3.247,650 10.543,651 0.647,652 3.219,653 3.526,654 3.871,655 4.19,656 4.431,657 4.554,658 4.71,659 4.86,660 4.883,661 4.796,662 4.969,663 0.593,664 295.47,665 3.219,666 4.745,667 5.617,668 6.512,669 7.41,670 8.317,671 9.225,672 10.136,673 11.048,674 11.962,675 6.4,678 1,683 1,684 1,687 2,688 3,690 1,693 3,695 10,697 1,714 47,716 11,717 1,718 24,720 49,721 19,722 8,723 4,724 2,730 3,731 6,736 2,740 4,743 6,744 1,745 8,746 10,764 25,765 2,766 1,767 3,773 3,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 22,833 7,837 1,838 1,840 1,843 1,845 1,854 11.333,855 8.983,856 5.139,857 3.469,858 2.334,859 1.329,860 0.973,861 4.616,862 9.431,863 3.466,864 4.012,865 4.681,866 5.329,867 5.864,868 6.266,869 6.634,870 7.046,871 7.169,872 7.311,873 1,874 36,875 8.161,877 3.389,878 7.462,879 16.37,881 13.829,883 1.962,884 43.167,885 0.001,887 1,888 282.506,889 93.41,890 50.969,895 93.41,896 282.506,897 50.969,898 17.65,899 16.884,900 28,901 16.602,902 63.099,903 13.915,904 270.735,906 282.506,907 144.379,911 188.338,912 94.169,915 85.504,916 58.875,919 282.506,920 50.969,921 93.41,924 282.506,925 31.158,926 48.775,927 33.387,928 31.059,929 282.506,930 50.969,931 93.41,933 0.558,934 0.35,935 0.211,936 0.118,937 16,938 7,939 0.102,940 5,941 2,942 1.308,943 3.325,944 177.038,945 0.308,946 13,947 92.107,951 15.279,952 6.647,953 2.85,954 2.27,955 34.184,956 6.227,958 3.247,961 3.64,963 16.786,964 426.886,965 31,975 46.025,976 53.062,977 0.228,978 0.572,979 0.789,980 0.833,981 0.833,982 0.833,983 4.714,984 0.887,985 5.595,986 2.165,987 4.205,988 4.696,989 2.326,990 6.454,991 4.157,992 5.91,993 0.834,994 7.177,995 2.117,996 3.761,997 4.543,998 0.325,999 7.469,1000 3.693,1001 7.224,1002 0.629,1003 8.866,1004 1.91,1005 5.826,1006 6.945,1007 3.576,1008 10.612,1009 5.735,1010 8.58,1011 0.314,1012 10.618,1013 0.998,1014 6.275,1015 7.75,1016 0.268,1017 12.484,1018 6.168,1019 9.976,1020 -0.349,1021 12.412,1022 0.488,1023 7.769,1024 9.596,1025 4.964,1026 15.144,1027 7.646,1028 11.4,1029 -0.445,1030 14.233,1031 -0.632,1032 8.618,1033 10.821,1034 0.188,1035 17.356,1036 8.486,1037 12.847,1038 -0.605,1039 16.074,1040 -0.832,1041 9.896,1042 12.469,1043 6.378,1044 19.865,1045 9.753,1046 3.266,1047 -0.944,1048 17.93,1049 -1.477,1050 10.924,1051 13.877,1052 0.125,1053 22.217,1054 10.775,1055 2.827,1056 11.66,1057 19.798,1058 -1.874,1059 12.124,1060 15.453,1061 7.797,1062 24.68,1063 11.967,1064 2.459,1065 9.131,1066 21.675,1067 4.654,1068 13.23,1069 16.937,1070 0.082,1071 27.089,1072 13.068,1073 1.981,1074 7.946,1075 23.56,1076 3.379,1077 14.404,1078 18.488,1079 9.217,1080 29.541,1081 14.237,1082 1.65,1083 5.898,1084 25.452,1085 2.878,1086 15.545,1087 20.003,1088 0.054,1089 31.974,1090 15.374,1091 1.584,1092 4.678,1093 27.349,1094 2.736,1095 16.714,1096 21.545,1097 10.638,1098 34.425,1099 16.538,1100 1.247,1101 4.221,1102 29.251,1103 2.144,1104 17.872,1105 23.073,1106 0.035,1107 36.87,1108 17.692,1109 4344,1110 6169,1111 16.008,1112 30.393,1113 36.805,1114 38.298,1115 37.418,1116 35.334,1117 35.357,1118 44.524,1119 5.669,1120 102.423,1121 34.489,1122 5.641,1123 6.075,1124 6.721,1125 5.272,1126 5.266,1127 7.654,1128 4.069,1129 18.941,1130 5.237,1131 10.309,1132 1.534,1133 1.596,1134 1.559,1135 1.472,1136 1.473,1137 1.855,1138 0.236,1139 4.268,1140 1.437,1141 4.163,1142 4.194,1143 4.125,1144 4.092,1145 6.82,1146 4.097,1147 3.821,1148 3.888,1149 3.712,1150 3.667,1151 4.927,1152 3.669,1153 3.617,1154 3.682,1155 3.486,1156 3.484,1157 4.383,1158 3.475,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.231,1164 3.32,1165 3.336,1166 3.391,1167 3.234,1168 3.226,1169 4.04,1170 3.219,1171 3.108,1172 3.195,1173 3.003,1174 2.913,1175 3.939,1176 2.913,1177 3.032,1178 3.119,1179 2.845,1180 2.848,1181 3.64,1182 2.846,1183 2.958,1184 3.057,1185 2.757,1186 2.721,1187 3.537,1188 2.723,1189 0.196,1190 0.17,1191 0.288,1192 0.177,1193 0.136,1194 4.695,1195 0.194,1196 4.075,1197 0.085,1198 6.919,1199 0.486,1200 4.257,1201 0.135,1202 3.266,1203 4.654,1204 2.035,1205 11.66,1206 3.237,1207 2.031,1208 2.008,1209 2.139,1210 2.115,1211 1.478,1212 2.125,1213 1.74,1214 1.675,1215 1.965,1216 1.925,1217 1.232,1218 1.94,1219 1.553,1220 1.503,1221 1.861,1222 1.757,1223 1.09,1224 1.785,1225 1.539,1226 1.464,1227 1.751,1228 1.738,1229 0.991,1230 1.754,1231 1.52,1232 1.459,1233 1.646,1234 1.654,1235 0.778,1236 1.666,1237 1.177,1238 1.1,1239 1.484,1240 1.4,1241 0.639,1242 1.434,1243 0.993,1244 0.898,1245 1.371,1246 1.247,1247 0.544,1248 1.295,1249 0.942,1250 0.858,1251 1.24,1252 1.189,1253 0.403,1254 1.185,1255 3.892,1257 5.198,1258 2.398,1259 6.727,1260 4.727,1261 8.367,1262 6.843,1263 10.066,1265 4.523,1271 8.242,1275 0.624,1276 2.653,1278 9.389,1279 2.35,1280 27.859,1281 59.504,1282 149.317,1283 206.046,1284 217.556,1285 217.556,1286 217.556,1287 31.653,1288 7.098,1289 42.82,1290 42.82,1291 17,1292 12.475,1293 3.585,1294 3,1295 34.227,1296 65,1297 66,1298 0.268,1299 173.663,1300 295.54,1301 415.498,1302 9950,1304 15.527,1305 0.706,1306 0.621,1307 15.527,1308 13.654,1309 10.779,1310 0.449,1311 0.356,1312 8.485,1313 10.567,1314 8.223,1315 6.886,1316 10.779,1317 8.54,1318 8.995,1319 0.273,1320 0.193,1321 8.995,1322 6.373,1323 7.998,1324 0.17,1325 0.104,1326 7.998,1327 4.896,1328 7.056,1329 0.109,1330 0.06,1331 7.056,1332 3.919,1333 5.799,1334 0.07,1335 0.035,1336 5.799,1337 2.918,1338 0.403,1339 66.055,1340 0.25,1341 21.151,1342 0.789,1343 114,1344 237.623,1345 118.829,1346 242.133,1347 341.19,1348 228,1349 137,1350 257.845,1351 142.495,1352 265.947,1353 390.86,1354 252,1355 8.125} {0 CHEMBL70606,1 1.197,2 8.792,3 5.534,4 30.624,5 101.907,6 6.37,7 0.593,8 3.979,9 4.114,10 3.435,11 3.58,12 4.888,13 3.514,14 4.555,15 4.751,16 3.773,17 4.005,18 5.363,19 3.906,20 4.848,21 5.091,22 3.812,23 4.161,24 5.557,25 4.02,26 4.941,27 5.202,28 3.761,29 4.195,30 5.595,31 4.027,32 4.998,33 5.275,34 3.716,35 4.203,36 5.621,37 4.014,38 4.997,39 5.284,40 3.683,41 4.183,42 5.642,43 3.989,44 4.933,45 5.219,46 3.558,47 4.122,48 5.599,49 3.916,50 4.799,51 5.098,52 3.367,53 3.949,54 5.474,55 3.734,56 0.061,57 0.695,58 11.869,59 4.952,60 8.607,61 7.117,62 0.132,63 1.195,64 21.425,65 8.465,66 14.432,67 12.358,68 0.178,69 1.528,70 28.742,71 11.378,72 18.813,73 16.65,74 0.189,75 1.639,76 31.492,77 12.647,78 18.542,79 18.461,80 0.179,81 1.688,82 33.155,83 13.729,84 19.734,85 19.921,86 0.214,87 1.679,88 33.2,89 13.67,90 22.667,91 19.822,92 0.163,93 1.554,94 30.975,95 13.099,96 23.013,97 18.907,98 0.144,99 1.341,100 27.074,101 11.379,102 22.514,103 16.463,104 4,105 37,106 0.202,107 0.529,108 0.748,109 0.843,110 0.868,111 0.868,112 3.229,113 1.023,114 -5.55,115 -5.43,116 -5.06,119 44,120 1,121 4,125 2,127 1,140 8,141 4,149 1,150 1,169 15,172 4,176 3,178 17,182 5,186 2,189 14,193 4,197 2,199 10,203 3,208 1,211 14,215 1,218 1,220 1,222 18,233 19,242 2,244 15,254 3,256 9,259 798,260 16.87,261 16.87,262 16.87,263 16.87,264 16.87,265 14.961,266 15.685,267 10.214,268 17.034,269 13.345,270 13.345,271 13.345,272 13.345,273 13.345,274 10.541,275 19.823,276 4.792,277 13.624,278 4.446,279 2.506,280 1.205,281 0.645,282 0.495,283 0.495,284 3.933,288 1,289 1,290 469,291 3,294 47.161,295 172.092,298 79.853,299 83.269,302 1.326,303 7.305,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 49,315 211,316 4.593,317 3.35,318 6.723,319 4.174,320 3.184,321 4.525,322 0.916,323 10.961,324 3.155,325 3.995,326 3.088,327 6.158,328 3.785,329 2.834,330 3.462,331 0.172,332 9.141,333 2.699,334 3.837,335 2.62,336 5.702,337 3.463,338 2.473,339 3.289,341 7.606,342 2.449,343 3.598,344 2.475,345 5.312,346 3.283,347 2.306,348 2.728,350 6.823,351 2.248,352 3.182,353 1.957,354 4.767,355 2.761,356 1.771,357 2.475,359 5.052,360 1.752,361 2.904,362 1.674,363 4.352,364 2.569,365 1.587,366 2.058,368 4.123,369 1.556,370 2.646,371 1.503,372 3.79,373 2.408,374 1.416,375 1.706,377 3.01,378 1.404,379 2.571,380 1.315,381 3.587,382 2.205,383 1.224,384 1.575,386 2.858,387 1.199,388 2.5,389 1,390 3.427,391 2,392 1,393 1.5,395 2.136,396 1,397 2.094,398 0.964,399 3.247,400 1.876,401 0.895,402 0.993,404 2.058,405 0.877,406 2.011,407 0.914,408 3.181,409 1.782,410 0.811,411 0.957,413 1.633,414 0.786,415 1.85,416 0.599,417 3.045,418 1.514,419 0.539,420 0.719,422 1.287,423 0.525,424 1.057,425 0.105,426 2.689,427 0.824,428 -0.154,429 -0.175,431 -0.333,432 -0.15,433 0.861,434 -0.199,435 2.503,436 0.622,437 -0.361,438 -0.408,440 -0.801,441 -0.354,442 0.632,443 -0.529,444 2.212,445 0.305,446 -0.685,447 -0.795,449 -1.528,450 -0.676,451 11.8,452 0.492,453 0.41,454 0.017,455 28.75,456 1.198,457 14,458 0.583,459 14.75,460 0.615,461 21.988,462 0.916,463 25.4,464 0.508,465 17.468,466 0.728,467 5.331,468 0.222,469 6.517,470 0.272,471 0.042,473 0.288,479 1.086,480 1.212,481 0.95,482 1.046,483 0.959,484 1.001,485 1.414,486 1.123,487 1.039,488 1.017,489 0.937,490 1.009,491 1.294,492 1.066,493 1.048,494 1.016,495 0.886,496 1.018,497 1.182,498 1.065,499 1.077,500 1.055,501 0.908,502 1.059,503 0.858,504 1.048,505 1,506 1.045,507 0.879,508 1.033,509 0.86,510 0.923,511 0.972,512 0.968,513 0.925,514 0.975,515 0.802,516 0.953,517 1.014,518 1.02,519 1.082,520 1.027,521 0.763,522 0.913,523 0.958,524 0.969,525 1.04,526 0.973,527 3.5,528 0.027,529 2.444,530 1,531 1.209,532 0.611,533 0.335,534 0.351,535 0.209,536 0.095,537 6402,538 11739,539 2.187,540 52,541 5,542 13,543 1,545 1,547 6,550 1.673,551 2.118,552 3.147,553 -0.465,559 59.874,560 1.197,561 3.138,562 4.439,563 4.999,564 5.149,565 5.149,566 2.534,567 4.335,568 4.558,569 3.291,570 908.257,571 7.888,572 10529.8,577 282.193,578 1.099,579 4.546,580 0.13,581 0.003,582 0.066,583 0.027,584 0.036,585 0.019,586 0.011,587 0.013,588 0.01,589 0.006,590 0.319,591 0.5,592 0.88,593 0.764,594 112.637,595 0.065,596 -0.059,597 0.072,598 0.014,599 0.089,600 0.038,601 -0.073,602 -0.016,603 -0.02,604 -0.01,605 0.015,606 -0.012,607 -0.08,608 -0.028,609 -0.048,610 -0.034,611 -0.008,612 -0.038,613 -0.089,614 -0.061,615 -0.089,616 -0.077,617 -0.083,618 -0.082,619 0.013,620 -0.088,621 -0.029,622 -0.062,623 -0.04,624 -0.051,625 0.063,626 0.034,627 0.001,628 0.006,629 -0.006,630 0.001,631 -0.05,632 -0.013,633 -0.051,634 -0.034,635 -0.105,636 -0.041,637 -0.01,638 0.012,639 0.003,640 0.009,641 0.011,642 0.007,643 0.682,644 0.865,645 0.792,646 18.479,647 0.976,648 1.12,649 4.322,650 18.677,651 0.663,652 3.332,653 3.638,654 3.951,655 4.248,656 4.489,657 4.585,658 4.745,659 4.898,660 4.956,661 4.942,662 5.497,663 0.607,664 318.5,665 3.332,666 4.86,667 5.72,668 6.6,669 7.48,670 8.369,671 9.258,672 10.152,673 11.045,674 11.942,675 4,678 1,683 1,687 2,688 9,690 1,693 3,695 16,714 50,716 16,717 2,718 27,720 53,721 22,722 14,723 5,724 7,730 4,731 7,736 1,740 4,743 5,745 14,746 8,764 26,765 1,766 1,767 2,773 2,777 0.5,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 1,827 24,833 6,837 1,838 1,854 11.333,855 9.033,856 5.361,857 3.392,858 2.932,859 1.396,860 1.017,861 4.505,862 10.338,863 3.584,864 4.171,865 4.778,866 5.374,867 5.862,868 6.117,869 6.48,870 6.849,871 6.893,872 7.094,873 0.833,874 37,875 8.907,877 3.743,878 7.299,879 18.049,881 15.465,883 1.799,884 43.167,885 0.001,888 294.278,889 122.306,890 19.91,895 122.306,896 294.278,897 19.91,898 8.825,899 14.35,900 84.857,902 32.04,903 13.915,904 282.506,906 294.278,907 142.216,911 223.651,912 70.627,915 43.085,916 99.131,919 294.278,920 19.91,921 122.306,924 294.278,925 28.623,926 96.807,927 16.786,929 294.278,930 19.91,931 122.306,933 0.567,934 0.339,935 0.196,936 0.108,937 19,938 7,939 0.094,940 5,941 2,942 1.211,943 3.669,944 202.07,945 0.211,946 19,947 106.039,951 15.621,952 6.922,953 3.202,954 2.702,955 3.124,956 19.799,958 3.365,961 4.547,963 16.786,964 436.493,965 35,975 48.807,976 55.979,977 0.212,978 0.556,979 0.786,980 0.886,981 0.912,982 0.912,983 4.804,984 1.224,985 5.68,986 3.01,987 4.317,988 4.856,989 0.918,990 6.491,991 4.278,992 5.981,993 1,994 7.228,995 2.858,996 3.761,997 4.543,998 0.325,999 7.38,1000 3.693,1001 7.274,1002 0.895,1003 8.88,1004 2.136,1005 5.894,1006 7.055,1007 0.671,1008 10.514,1009 5.814,1010 8.606,1011 0.811,1012 10.598,1013 2.058,1014 6.236,1015 7.685,1016 0.393,1017 12.275,1018 6.128,1019 9.977,1020 0.539,1021 12.358,1022 1.633,1023 7.772,1024 9.607,1025 0.533,1026 14.902,1027 7.654,1028 11.375,1029 -0.154,1030 14.147,1031 1.287,1032 8.534,1033 10.688,1034 0.384,1035 17.014,1036 8.394,1037 12.794,1038 -0.361,1039 15.957,1040 -0.333,1041 9.824,1042 12.368,1043 0.438,1044 19.476,1045 9.676,1046 3.184,1047 -0.685,1048 17.782,1049 -0.801,1050 10.786,1051 13.673,1052 0.351,1053 21.738,1054 10.622,1055 2.834,1056 10.961,1057 19.618,1058 -1.528,1059 11.977,1060 15.249,1061 0.366,1062 24.144,1063 11.806,1064 2.473,1065 9.141,1066 21.464,1067 4.525,1068 13.034,1069 16.662,1070 0.312,1071 26.472,1072 12.852,1073 2.306,1074 7.606,1075 23.317,1076 3.462,1077 14.188,1078 18.197,1079 0.309,1080 28.861,1081 14,1082 1.771,1083 6.823,1084 25.177,1085 3.289,1086 15.29,1087 19.661,1088 0.273,1089 31.221,1090 15.093,1091 1.587,1092 5.052,1093 27.042,1094 2.728,1095 16.433,1096 21.178,1097 0.262,1098 33.606,1099 16.23,1100 1.416,1101 4.123,1102 28.911,1103 2.475,1104 17.557,1105 22.666,1106 0.236,1107 35.981,1108 17.347,1109 6009,1110 8216,1111 18.781,1112 33.148,1113 40.451,1114 40.04,1115 40.806,1116 40.087,1117 40.08,1118 51.973,1119 2.178,1120 113.373,1121 39.296,1122 5.539,1123 5.35,1124 6.524,1125 5.198,1126 5.184,1127 7.525,1128 1.605,1129 18.175,1130 5.155,1131 6.265,1132 1.498,1133 1.483,1134 1.511,1135 1.485,1136 1.484,1137 1.925,1138 0.081,1139 4.199,1140 1.455,1141 4.154,1142 4.188,1143 4.107,1144 4.081,1145 4.969,1146 4.083,1147 3.927,1148 3.967,1149 3.85,1150 3.856,1151 4.754,1152 3.849,1153 3.75,1154 3.808,1155 3.643,1156 3.615,1157 4.372,1158 3.614,1159 3.576,1160 3.648,1161 3.419,1162 3.431,1163 4.198,1164 3.417,1165 3.325,1166 3.394,1167 3.173,1168 3.198,1169 3.975,1170 3.185,1171 3.155,1172 3.227,1173 2.992,1174 3.018,1175 3.803,1176 3.003,1177 3.037,1178 3.124,1179 2.846,1180 2.873,1181 3.674,1182 2.854,1183 2.861,1184 2.949,1185 2.694,1186 2.735,1187 3.583,1188 2.715,1189 0.17,1190 0.124,1191 0.249,1192 0.155,1193 0.118,1194 4.593,1195 0.168,1196 3.35,1197 0.034,1198 6.723,1199 0.406,1200 4.174,1201 0.117,1202 3.184,1203 4.525,1204 0.916,1205 10.961,1206 3.155,1207 2.03,1208 2.005,1209 2.141,1210 2.117,1211 1.474,1212 2.127,1213 1.911,1214 1.881,1215 2.039,1216 1.999,1217 1.219,1218 2.014,1219 1.678,1220 1.616,1221 1.915,1222 1.854,1223 1.102,1224 1.875,1225 1.537,1226 1.468,1227 1.76,1228 1.746,1229 0.993,1230 1.755,1231 1.463,1232 1.407,1233 1.65,1234 1.625,1235 0.79,1236 1.645,1237 1.243,1238 1.169,1239 1.528,1240 1.452,1241 0.676,1242 1.485,1243 1.096,1244 1.026,1245 1.401,1246 1.289,1247 0.607,1248 1.332,1249 0.886,1250 0.821,1251 1.272,1252 1.12,1253 0.441,1254 1.178,1255 4.007,1257 5.313,1258 2.398,1259 6.83,1260 4.595,1261 8.447,1262 6.605,1263 10.118,1265 2.291,1271 7.115,1275 0.651,1276 2.698,1280 30.364,1281 59.874,1282 156.909,1283 221.928,1284 249.928,1285 257.438,1286 257.438,1287 27.028,1288 7.407,1289 19.03,1290 19.03,1291 23,1292 12.467,1293 4.087,1294 3.17,1295 33.704,1296 78,1297 78,1298 0.21,1299 185.325,1300 310.54,1301 443.953,1302 15888,1304 16.355,1305 0.681,1306 0.603,1307 16.355,1308 14.463,1309 11.848,1310 0.439,1311 0.341,1312 9.159,1313 11.68,1314 8.906,1315 7.411,1316 11.848,1317 9.207,1318 10.218,1319 0.276,1320 0.189,1321 10.218,1322 6.995,1323 8.952,1324 0.176,1325 0.106,1326 8.952,1327 5.385,1328 7.797,1329 0.113,1330 0.061,1331 7.797,1332 4.183,1333 6.366,1334 0.072,1335 0.035,1336 6.366,1337 3.101,1338 0.322,1339 72.115,1340 0.231,1341 23.138,1342 0.599,1343 128,1344 241.978,1345 132.135,1346 247.467,1347 357.61,1348 236,1349 152,1350 275.437,1351 156.829,1352 285.218,1353 418.76,1354 271,1355 6.717} {0 CHEMBL70652,1 1.443,2 8.043,3 4.788,4 22.923,5 93.374,6 6.593,7 0.4,8 3.937,9 4.073,10 3.397,11 3.474,12 4.927,13 3.423,14 4.538,15 4.745,16 3.753,17 3.9,18 5.431,19 3.82,20 4.831,21 5.077,22 3.894,23 4.078,24 5.719,25 3.974,26 4.938,27 5.182,28 3.926,29 4.154,30 5.848,31 4.039,32 5.023,33 5.286,34 3.809,35 4.169,36 5.865,37 4.01,38 5.062,39 5.359,40 3.668,41 4.073,42 6,43 3.888,44 4.88,45 5.194,46 3.395,47 3.88,48 5.654,49 3.673,50 4.572,51 4.857,52 3.246,53 3.646,54 5.406,55 3.471,56 0.03,57 0.749,58 11.193,59 4.818,60 7.252,61 6.663,62 0.135,63 1.24,64 21.184,65 8.079,66 17.246,67 11.581,68 0.284,69 1.586,70 29.036,71 10.521,72 31.485,73 15.271,74 0.304,75 1.736,76 32.426,77 11.946,78 35.714,79 16.915,80 0.257,81 1.78,82 35.271,83 13.505,84 42.394,85 18.988,86 0.55,87 1.689,88 37.703,89 13.089,90 95.323,91 18.797,92 0.432,93 1.302,94 31.021,95 10.746,96 48.987,97 16.021,98 0.179,99 1.038,100 22.438,101 8.179,102 26.668,103 11.833,104 31,105 35,106 0.249,107 0.568,108 0.772,109 0.806,110 0.806,111 0.806,112 3.19,113 1.044,114 -4.86,115 -4.77,116 -4.47,119 39.6,120 2,121 5,125 2,127 1,140 1,141 4,142 1,149 1,150 1,153 1,169 9,172 5,176 2,178 9,182 5,186 2,189 8,193 3,195 1,197 2,199 8,203 4,208 1,211 11,215 2,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 4,249 2,254 2,259 681,260 15.886,261 15.886,262 15.886,263 15.886,264 15.886,265 14.639,266 15.828,267 9.428,268 16.081,269 12.206,270 12.206,271 12.206,272 12.206,273 12.206,274 10.158,275 17.297,276 4.183,277 12.554,278 4.142,279 2.286,280 1.105,281 0.906,282 0.906,283 0.906,284 3.869,288 1,289 1,290 388,291 3.391,294 41.852,295 90.775,298 71.95,299 77.571,302 1.18,303 24.053,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 49.5,315 185,316 4.743,317 3.485,318 7,319 4.304,320 3.318,321 4.721,322 0.8,323 11.95,324 3.273,325 3.968,326 3.109,327 6.185,328 3.79,329 2.84,330 3.365,332 9.187,333 2.707,334 3.759,335 2.94,336 5.883,337 3.442,338 2.461,339 3.186,341 8.056,342 2.406,343 3.65,344 2.741,345 5.66,346 3.281,347 2.328,348 2.749,350 7.361,351 2.201,352 3.013,353 2.4,354 4.767,355 2.659,356 1.66,357 2.159,359 4.886,360 1.656,361 2.675,362 1.79,363 4.418,364 2.591,365 1.608,366 1.687,368 4.259,369 1.576,370 2.536,371 1.65,372 3.947,373 2.237,374 1.247,375 1.513,377 2.954,378 1.233,379 2.247,380 1.3,381 3.698,382 2.112,383 1.164,384 1.247,386 2.166,387 1.091,388 2.108,389 1.298,390 3.247,391 1.805,392 0.836,393 1.009,395 2.117,396 0.808,397 2.061,398 0.909,399 2.966,400 1.646,401 0.667,402 0.683,404 1.056,405 0.651,406 1.689,407 0.768,408 2.821,409 1.444,410 0.356,411 0.579,413 0.544,414 0.381,415 1.155,416 0.318,417 2.681,418 0.891,419 -0.051,420 -0.059,422 -0.123,423 -0.048,424 0.771,425 -0.287,426 2.383,427 0.521,428 -0.445,429 -0.445,431 -0.632,432 -0.428,433 0.555,434 -0.335,435 2.228,436 0.402,437 -0.604,438 -0.748,440 -1.532,441 -0.606,442 0.351,443 -0.389,444 2,445 0.161,446 -0.78,447 -0.85,449 -1.628,450 -0.713,451 10.919,452 0.475,453 0.483,454 0.021,455 23.75,456 1.033,457 9.5,458 0.413,459 14.25,460 0.62,461 23.997,462 1.043,463 26.281,464 0.548,465 15.573,466 0.677,467 4.238,468 0.184,469 6.951,470 0.302,471 0.148,473 0.357,477 1,479 0.6,480 1.21,481 0.879,482 1.178,483 0.481,484 1.09,485 0.714,486 1.049,487 0.894,488 1.012,489 0.52,490 0.98,491 0.711,492 0.964,493 0.86,494 0.953,495 0.563,496 0.928,497 0.849,498 1.052,499 0.968,500 1.045,501 0.747,502 1.025,503 0.802,504 1.117,505 1.004,506 1.17,507 0.811,508 1.133,509 0.876,510 0.928,511 0.969,512 0.978,513 0.893,514 0.988,515 0.596,516 0.648,517 0.848,518 0.831,519 0.696,520 0.875,521 0.699,522 0.94,523 0.926,524 1.05,525 0.744,526 1.031,527 4,529 2.889,530 1.625,531 1.699,532 0.806,533 0.597,534 0.377,535 0.227,536 0.161,537 4746,538 10829,539 2.041,540 52.1,541 8,542 6,543 1,544 1,545 1,547 8,550 1.665,551 1.89,552 3.031,553 -0.369,559 69.271,560 1.443,561 3.299,562 4.48,563 4.679,564 4.679,565 4.679,566 2.442,567 4.176,568 4.492,569 3.157,570 798.651,571 7.776,572 8817.7,574 1,577 268.078,578 1.478,579 4.443,580 0.16,582 0.083,583 0.042,584 0.044,585 0.024,586 0.022,587 0.018,588 0.013,589 0.013,590 0.418,591 0.5,592 1,593 1.522,594 105.105,595 -0.01,596 -0.083,597 0.045,598 -0.011,599 0.015,600 0.019,601 -0.034,602 -0.028,603 0.047,604 0.044,605 0.022,606 0.057,607 0.055,608 0.04,609 0.095,610 0.056,611 0.067,612 0.078,613 0.006,614 -0.043,615 -0.005,616 -0.035,617 0.037,618 -0.022,619 -0.007,620 -0.152,621 -0.058,622 -0.154,623 -0.008,624 -0.122,625 0.085,626 0.002,627 0.005,628 -0.028,629 0.081,630 -0.024,631 0.099,632 0.103,633 0.087,634 0.092,635 -0.001,636 0.085,637 0.011,638 -0.115,639 0.01,640 -0.084,641 -0.02,642 -0.046,643 1.913,644 6.263,645 0.565,646 17.157,647 0.993,648 1.136,649 3.629,650 13.172,651 0.636,652 3.258,653 3.584,654 3.932,655 4.263,656 4.522,657 4.663,658 4.812,659 4.97,660 4.99,661 4.913,662 5.065,663 0.593,664 316.46,665 3.258,666 4.796,667 5.673,668 6.578,669 7.484,670 8.4,671 9.316,672 10.236,673 11.157,674 12.08,675 4.2,678 1,683 1,687 2,688 2,690 1,693 4,695 10,696 1,713 1,714 48,716 11,717 1,718 25,720 50,721 19,722 8,723 5,724 1,725 1,730 3,731 6,736 2,740 4,743 6,745 9,746 10,750 1,755 1,757 1,762 1,764 25,765 3,766 1,767 4,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,825 1,827 23,833 7,837 1,838 1,846 1,847 2.1,850 1,854 12.167,855 9.093,856 5.333,857 3.483,858 2.227,859 1.31,860 0.973,861 4.936,862 9.42,863 3.466,864 4.047,865 4.715,866 5.372,867 5.911,868 6.327,869 6.681,870 7.079,871 7.188,872 7.272,873 1,874 39,875 8.602,877 3.677,878 7.732,879 16.836,881 14.27,883 2.232,884 51.333,887 1,888 282.506,889 87.877,890 19.91,892 25.145,893 14.96,895 87.877,896 307.651,897 34.87,898 17.65,899 16.884,900 18.524,901 48.34,902 41.161,903 28.875,904 258.964,906 282.506,907 107.787,908 40.105,911 203.298,912 119.314,915 54.444,916 41.919,917 11.424,919 297.467,920 45.055,921 87.877,924 282.506,925 40.279,926 50.723,927 16.786,928 40.105,929 282.506,930 60.015,931 87.877,933 0.564,934 0.354,935 0.213,936 0.121,937 17,938 8,939 0.12,940 6,941 2,942 1.308,943 3.358,944 190.349,945 0.308,946 13,947 98.042,951 16.355,952 6.942,953 2.98,954 1.275,955 43.229,956 3.281,958 2.932,961 2.568,963 16.786,964 430.398,965 31,970 11.346,972 0.831,975 47.647,976 54.528,977 0.258,978 0.591,979 0.802,980 0.838,981 0.838,982 0.838,983 4.714,984 1.164,985 5.666,986 2.954,987 4.263,988 4.732,989 0.673,990 6.544,991 4.209,992 5.91,993 0.836,994 7.263,995 2.166,996 3.892,997 4.677,998 0.325,999 7.585,1000 3.793,1001 7.232,1002 0.667,1003 8.965,1004 2.117,1005 5.905,1006 7.005,1007 0.379,1008 10.738,1009 5.802,1010 8.598,1011 0.356,1012 10.728,1013 1.056,1014 6.399,1015 7.87,1016 0.268,1017 12.619,1018 6.261,1019 10.006,1020 -0.051,1021 12.53,1022 0.544,1023 7.869,1024 9.684,1025 0.239,1026 15.3,1027 7.725,1028 11.443,1029 -0.445,1030 14.359,1031 -0.123,1032 8.746,1033 10.946,1034 0.188,1035 17.524,1036 8.58,1037 12.902,1038 -0.604,1039 16.207,1040 -0.632,1041 10.019,1042 12.585,1043 0.156,1044 20.058,1045 9.845,1046 3.318,1047 -0.78,1048 18.069,1049 -1.532,1050 11.067,1051 14.017,1052 0.125,1053 22.428,1054 10.879,1055 2.84,1056 11.95,1057 19.943,1058 -1.628,1059 12.271,1060 15.596,1061 0.102,1062 24.918,1063 12.075,1064 2.461,1065 9.187,1066 21.826,1067 4.721,1068 13.395,1069 17.099,1070 0.082,1071 27.35,1072 13.188,1073 2.328,1074 8.056,1075 23.718,1076 3.365,1077 14.581,1078 18.659,1079 0.066,1080 29.828,1081 14.365,1082 1.66,1083 7.361,1084 25.617,1085 3.186,1086 15.739,1087 20.19,1088 0.054,1089 32.286,1090 15.513,1091 1.608,1092 4.886,1093 27.522,1094 2.749,1095 16.922,1096 21.744,1097 0.043,1098 34.763,1099 16.687,1100 1.247,1101 4.259,1102 29.431,1103 2.159,1104 18.097,1105 23.287,1106 0.035,1107 37.233,1108 17.852,1109 4806,1110 7458,1111 16.414,1112 30.54,1113 37.617,1114 39.204,1115 39.584,1116 37.152,1117 36.972,1118 45.796,1119 1.6,1120 109.072,1121 35.965,1122 5.688,1123 5.485,1124 6.802,1125 5.32,1126 5.318,1127 7.721,1128 1.2,1129 19.466,1130 5.273,1131 12.101,1132 1.505,1133 1.568,1134 1.583,1135 1.486,1136 1.479,1137 1.832,1138 0.064,1139 4.363,1140 1.439,1141 4.17,1142 4.198,1143 4.138,1144 4.092,1145 8.201,1146 4.099,1147 3.822,1148 3.888,1149 3.712,1150 3.666,1151 7.452,1152 3.669,1153 3.619,1154 3.682,1155 3.489,1156 3.483,1157 4.869,1158 3.474,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.382,1164 3.32,1165 3.366,1166 3.405,1167 3.278,1168 3.222,1169 4.209,1170 3.224,1171 3.129,1172 3.198,1173 2.996,1174 2.908,1175 4.04,1176 2.905,1177 3.034,1178 3.119,1179 2.849,1180 2.846,1181 3.84,1182 2.847,1183 2.979,1184 3.06,1185 2.804,1186 2.71,1187 3.569,1188 2.717,1189 0.19,1190 0.139,1191 0.28,1192 0.172,1193 0.133,1194 4.743,1195 0.189,1196 3.485,1197 0.032,1198 7,1199 0.478,1200 4.304,1201 0.131,1202 3.318,1203 4.721,1204 0.8,1205 11.95,1206 3.273,1207 2.028,1208 2.006,1209 2.13,1210 2.116,1211 1.478,1212 2.122,1213 1.738,1214 1.674,1215 1.96,1216 1.926,1217 1.231,1218 1.937,1219 1.552,1220 1.514,1221 1.861,1222 1.769,1223 1.09,1224 1.785,1225 1.539,1226 1.462,1227 1.722,1228 1.738,1229 0.987,1230 1.753,1231 1.519,1232 1.459,1233 1.676,1234 1.674,1235 0.78,1236 1.687,1237 1.176,1238 1.1,1239 1.484,1240 1.403,1241 0.669,1242 1.435,1243 0.991,1244 0.906,1245 1.367,1246 1.249,1247 0.548,1248 1.293,1249 0.947,1250 0.866,1251 1.24,1252 1.239,1253 0.403,1254 1.231,1255 3.932,1257 5.252,1258 2.398,1259 6.792,1260 4.727,1261 8.444,1262 6.862,1263 10.158,1265 4.424,1267 14.263,1271 7.361,1275 0.491,1276 2.561,1280 28.463,1281 69.271,1282 158.33,1283 215.059,1284 224.568,1285 224.568,1286 224.568,1287 46.185,1288 7.193,1289 36.1,1290 36.1,1291 17,1292 12.587,1293 3.585,1294 2.807,1295 36.557,1296 69,1297 72,1298 0.27,1299 174.991,1300 302.04,1301 418.738,1302 10987,1303 2.1,1304 16.397,1305 0.713,1306 0.608,1307 15.527,1308 13.993,1309 11.189,1310 0.448,1311 0.348,1312 8.607,1313 10.83,1314 8.37,1315 6.978,1316 10.779,1317 8.697,1318 9.534,1319 0.272,1320 0.187,1321 8.995,1322 6.541,1323 8.408,1324 0.168,1325 0.1,1326 7.998,1327 4.992,1328 7.452,1329 0.106,1330 0.057,1331 7.056,1332 3.997,1333 6.164,1334 0.068,1335 0.033,1336 5.799,1337 2.985,1338 0.405,1339 69.739,1340 0.247,1341 21.926,1342 0.797,1343 120,1344 343.825,1345 129.405,1346 307.509,1347 414.71,1348 288,1349 145,1350 297.497,1351 154.914,1352 297.32,1353 441.19,1354 281,1355 7.469} {0 CHEMBL70680,1 1.284,2 10.929,3 6.071,4 36.853,5 117.854,6 6.458,7 0.516,8 4.12,9 4.252,10 3.575,11 3.71,12 5.071,13 3.647,14 4.701,15 4.895,16 3.903,17 4.134,18 5.536,19 4.036,20 5.004,21 5.248,22 3.983,23 4.303,24 5.76,25 4.169,26 5.107,27 5.36,28 3.957,29 4.35,30 5.858,31 4.191,32 5.178,33 5.452,34 3.886,35 4.351,36 5.868,37 4.164,38 5.201,39 5.499,40 3.837,41 4.292,42 5.896,43 4.101,44 5.087,45 5.376,46 3.776,47 4.23,48 5.815,49 4.049,50 4.974,51 5.233,52 3.724,53 4.204,54 5.743,55 4.025,56 0.061,57 0.798,58 13.529,59 5.818,60 9.98,61 8.195,62 0.153,63 1.365,64 24.698,65 9.925,66 16.652,67 14.271,68 0.213,69 1.762,70 33.66,71 13.302,72 24.679,73 19.344,74 0.298,75 1.902,76 37.48,77 14.835,78 31.14,79 21.46,80 0.229,81 1.976,82 40.044,83 16.344,84 29.897,85 23.552,86 0.324,87 1.984,88 41.524,89 15.973,90 38.317,91 23.221,92 0.334,93 1.775,94 37.027,95 14.371,96 36.856,97 20.803,98 0.202,99 1.623,100 32.59,101 13.507,102 27.909,103 19.271,104 10,105 42,106 0.209,107 0.531,108 0.739,109 0.837,110 0.875,111 0.875,112 3.375,113 1.03,114 -5.54,115 -5.41,116 -5.05,119 43.1,120 1,121 6,125 2,127 1,140 7,141 5,149 1,150 1,153 1,169 17,172 5,176 3,178 20,182 5,186 2,189 18,193 4,195 1,197 2,199 13,203 7,208 1,211 12,215 5,218 1,220 1,222 12,225 1,226 2,233 17,242 2,244 20,249 2,254 2,256 17,259 1294,260 19.654,261 19.654,262 19.654,263 19.654,264 19.654,265 17.7,266 17.839,267 11.855,268 19.8,269 15.239,270 15.239,271 15.239,272 15.239,273 15.239,274 12.235,275 19.036,276 5.458,277 15.48,278 4.574,279 2.601,280 1.326,281 0.729,282 0.496,283 0.496,284 4.077,289 1,290 670,291 3.536,294 58.54,295 219.042,298 99.455,299 104.58,302 1.724,303 14.876,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 58,315 306,316 4.687,317 3.408,318 6.919,319 4.258,320 3.266,321 4.646,322 0.8,323 11.66,324 3.241,325 3.965,326 3.088,327 6.165,328 3.782,329 2.83,330 3.444,332 9.134,333 2.703,334 3.896,335 2.87,336 5.828,337 3.522,338 2.524,339 3.365,341 7.947,342 2.521,343 3.694,344 2.711,345 5.339,346 3.432,347 2.452,348 2.836,350 6.964,351 2.394,352 3.418,353 2.504,354 5.112,355 2.97,356 1.981,357 2.726,359 5.898,360 1.954,361 2.963,362 1.979,363 4.648,364 2.661,365 1.672,366 2.113,368 4.684,369 1.654,370 2.942,371 1.721,372 4.414,373 2.597,374 1.598,375 2.094,377 4.255,378 1.594,379 2.666,380 1.61,381 3.703,382 2.503,383 1.514,384 1.676,386 3.213,387 1.495,388 2.5,389 1.59,390 3.673,391 2.192,392 1.2,393 1.5,395 2.396,396 1.189,397 2.398,398 1.251,399 3.35,400 2,401 1,402 1.275,404 2.165,405 1,406 2.278,407 1,408 3.313,409 1.884,410 0.89,411 1.266,413 2.136,414 0.879,415 2.067,416 0.915,417 3.247,418 1.805,419 0.836,420 0.957,422 1.916,423 0.808,424 1.984,425 0.864,426 2.966,427 1.669,428 0.673,429 0.738,431 1.293,432 0.668,433 1.741,434 0.702,435 2.735,436 1.394,437 0.317,438 0.504,440 0.497,441 0.339,442 1.046,443 0.087,444 2.589,445 0.87,446 -0.114,447 -0.125,449 -0.242,450 -0.112,451 13.633,452 0.487,453 0.462,454 0.016,455 32.5,456 1.161,457 15.5,458 0.554,459 17,460 0.607,461 27.818,462 0.993,463 30.167,464 0.52,465 21.378,466 0.764,467 6.002,468 0.214,469 7.794,470 0.278,471 0.061,473 0.286,479 0.744,480 1.226,481 0.93,482 1.079,483 0.52,484 1.024,485 0.959,486 1.124,487 1.026,488 1.032,489 0.624,490 1.027,491 0.82,492 1.042,493 0.979,494 0.996,495 0.462,496 0.991,497 0.861,498 1.061,499 1.064,500 1.071,501 0.69,502 1.076,503 0.685,504 1.124,505 0.992,506 1.111,507 0.651,508 1.081,509 0.93,510 0.938,511 0.915,512 0.927,513 0.901,514 0.92,515 1.003,516 0.839,517 0.944,518 0.867,519 1.035,520 0.896,521 0.843,522 1.045,523 1.084,524 1.107,525 0.906,526 1.113,527 4,528 0.129,529 2.889,530 1.472,531 1.214,532 0.757,533 0.66,534 0.365,535 0.21,536 0.199,537 10006,538 20384,539 2.137,540 51.7,541 7,542 12,543 1,544 1,545 1,547 8,550 1.712,551 2.049,552 3.4,553 -0.465,559 74.46,560 1.284,561 3.257,562 4.532,563 5.129,564 5.362,565 5.362,566 2.856,567 4.45,568 4.777,569 3.586,570 1355.32,571 8.32,572 17962.6,577 339.763,578 1.198,579 4.76,580 0.129,581 0.007,582 0.069,583 0.033,584 0.03,585 0.02,586 0.019,587 0.011,588 0.007,589 0.008,590 0.332,591 0.5,592 0.88,593 0.887,594 140.492,595 0.015,596 -0.053,597 0.059,598 0.013,599 0.054,600 0.034,601 -0.075,602 -0.01,603 -0.034,604 -0.004,605 -0.021,606 -0.014,607 -0.024,608 0.004,610 -0.002,611 0.048,612 0.003,613 0.03,614 -0.045,615 -0.084,616 -0.083,617 0.035,618 -0.09,619 0.045,620 -0.165,621 -0.03,622 -0.122,623 0.034,624 -0.088,625 0.053,626 0.008,627 0.067,628 0.026,629 0.012,630 0.043,631 0.019,632 0.119,633 0.04,634 0.096,635 -0.037,636 0.073,637 -0.06,638 -0.068,639 -0.119,640 -0.104,641 -0.081,642 -0.113,643 1.008,644 4.531,645 0.679,646 26.587,647 0.981,648 1.121,649 4.31,650 18.576,651 0.657,652 3.466,653 3.761,654 4.078,655 4.369,656 4.605,657 4.7,658 4.868,659 5.024,660 5.088,661 5.1,662 6.566,663 0.606,664 374.57,665 3.466,666 4.99,667 5.849,668 6.727,669 7.608,670 8.498,671 9.39,672 10.287,673 11.185,674 12.087,675 3.4,678 1,683 1,687 2,688 8,690 1,693 4,695 16,696 1,714 58,716 17,717 2,718 31,720 61,721 25,722 14,723 5,724 7,725 1,730 4,731 7,736 1,740 4,743 7,745 15,746 10,750 1,755 1,757 1,764 30,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 1,827 28,833 8,837 1,838 1,847 1.7,850 1,854 13.667,855 10.45,856 6.389,857 3.982,858 2.98,859 1.386,860 0.996,861 6.044,862 10.702,863 3.714,864 4.273,865 4.895,866 5.502,867 6.012,868 6.293,869 6.653,870 7.041,871 7.152,872 7.304,873 1,874 44,875 10.402,877 4.368,878 7.458,879 20.834,881 17.713,883 1.958,884 54.833,888 341.362,889 132.509,890 19.91,892 25.145,895 132.509,896 366.507,897 19.91,898 8.825,899 19.419,900 75.381,901 48.34,902 35.225,903 13.915,904 317.82,906 341.362,907 152.418,908 25.145,911 247.193,912 119.314,915 48.154,916 92.841,917 11.424,919 341.362,920 45.055,921 132.509,924 341.362,925 36.878,926 98.755,927 16.786,928 25.145,929 341.362,930 45.055,931 132.509,933 0.562,934 0.342,935 0.197,936 0.108,937 20,938 8,939 0.131,940 8,941 2,942 1.211,943 4.018,944 244.019,945 0.211,946 19,947 128.606,951 19.111,952 8.855,953 4.14,954 2.241,955 28.269,956 17.028,958 3.266,961 5.046,963 16.786,964 518.925,965 40,970 11.531,972 0.992,975 56.901,976 65.019,977 0.219,978 0.556,979 0.774,980 0.876,981 0.915,982 0.915,983 4.934,984 1.514,985 5.808,986 4.255,987 4.443,988 4.959,989 0.673,990 6.624,991 4.413,992 6.107,993 1.2,994 7.361,995 3.213,996 3.892,997 4.677,998 0.325,999 7.557,1000 3.832,1001 7.398,1002 1,1003 9.02,1004 2.396,1005 6.023,1006 7.161,1007 0.379,1008 10.696,1009 5.959,1010 8.732,1011 0.89,1012 10.747,1013 2.165,1014 6.382,1015 7.84,1016 0.268,1017 12.529,1018 6.292,1019 10.108,1020 0.836,1021 12.518,1022 2.136,1023 7.915,1024 9.742,1025 0.239,1026 15.18,1027 7.82,1028 11.514,1029 0.673,1030 14.321,1031 1.916,1032 8.701,1033 10.877,1034 0.188,1035 17.376,1036 8.588,1037 12.944,1038 0.317,1039 16.146,1040 1.293,1041 9.995,1042 12.552,1043 0.156,1044 19.88,1045 9.877,1046 3.266,1047 -0.114,1048 17.989,1049 0.497,1050 10.984,1051 13.906,1052 0.125,1053 22.225,1054 10.855,1055 2.83,1056 11.66,1057 19.846,1058 -0.242,1059 12.187,1060 15.491,1061 0.102,1062 24.686,1063 12.053,1064 2.524,1065 9.134,1066 21.714,1067 4.646,1068 13.272,1069 16.946,1070 0.082,1071 27.092,1072 13.13,1073 2.452,1074 7.947,1075 23.592,1076 3.444,1077 14.445,1078 18.498,1079 0.066,1080 29.543,1081 14.298,1082 1.981,1083 6.964,1084 25.478,1085 3.365,1086 15.574,1087 19.997,1088 0.054,1089 31.976,1090 15.422,1091 1.672,1092 5.898,1093 27.37,1094 2.836,1095 16.74,1096 21.538,1097 0.043,1098 34.426,1099 16.584,1100 1.598,1101 4.684,1102 29.267,1103 2.726,1104 17.891,1105 23.057,1106 0.035,1107 36.87,1108 17.731,1109 9482,1110 13665,1111 21.266,1112 38.125,1113 46.269,1114 47.333,1115 46.955,1116 45.614,1117 45.508,1118 58.282,1119 1.6,1120 128.317,1121 44.878,1122 5.633,1123 5.408,1124 6.721,1125 5.283,1126 5.266,1127 7.646,1128 1.2,1129 18.941,1130 5.241,1131 9.911,1132 1.493,1133 1.527,1134 1.515,1135 1.471,1136 1.468,1137 1.88,1138 0.052,1139 4.139,1140 1.448,1141 4.166,1142 4.196,1143 4.126,1144 4.094,1145 7.452,1146 4.098,1147 3.93,1148 3.969,1149 3.847,1150 3.866,1151 4.935,1152 3.857,1153 3.8,1154 3.858,1155 3.697,1156 3.655,1157 4.752,1158 3.657,1159 3.606,1160 3.669,1161 3.475,1162 3.47,1163 4.377,1164 3.462,1165 3.468,1166 3.545,1167 3.271,1168 3.331,1169 4.216,1170 3.306,1171 3.344,1172 3.386,1173 3.228,1174 3.222,1175 3.994,1176 3.214,1177 3.13,1178 3.192,1179 3.003,1180 2.921,1181 3.917,1182 2.92,1183 3.034,1184 3.12,1185 2.845,1186 2.866,1187 3.674,1188 2.853,1189 0.151,1190 0.11,1191 0.223,1192 0.137,1193 0.105,1194 4.687,1195 0.15,1196 3.408,1197 0.026,1198 6.919,1199 0.376,1200 4.258,1201 0.105,1202 3.266,1203 4.646,1204 0.8,1205 11.66,1206 3.241,1207 2.032,1208 2.009,1209 2.141,1210 2.117,1211 1.48,1212 2.127,1213 1.925,1214 1.894,1215 2.065,1216 2.012,1217 1.299,1218 2.032,1219 1.721,1220 1.66,1221 1.938,1222 1.898,1223 1.167,1224 1.912,1225 1.556,1226 1.515,1227 1.799,1228 1.767,1229 1.013,1230 1.763,1231 1.527,1232 1.464,1233 1.735,1234 1.699,1235 0.965,1236 1.727,1237 1.49,1238 1.423,1239 1.678,1240 1.651,1241 0.784,1242 1.674,1243 1.176,1244 1.103,1245 1.471,1246 1.39,1247 0.676,1248 1.421,1249 1.016,1250 0.937,1251 1.359,1252 1.245,1253 0.562,1254 1.288,1255 4.143,1257 5.442,1258 2.398,1259 6.954,1260 4.727,1261 8.567,1262 6.843,1263 10.238,1265 2.274,1271 9.191,1275 0.572,1276 2.692,1280 35.133,1281 74.46,1282 188.879,1283 262.827,1284 297.498,1285 311.008,1286 311.008,1287 41.516,1288 7.722,1289 36.1,1290 36.1,1291 23,1292 12.609,1293 4.17,1294 3.322,1295 42.376,1296 108,1297 120,1298 0.187,1299 215.171,1300 368.59,1301 516.777,1302 24526,1304 19.347,1305 0.691,1306 0.599,1307 19.347,1308 16.786,1309 13.796,1310 0.445,1311 0.343,1312 10.584,1313 13.546,1314 10.312,1315 8.569,1316 13.796,1317 10.648,1318 11.641,1319 0.277,1320 0.191,1321 11.641,1322 8.009,1323 10.251,1324 0.177,1325 0.106,1326 10.251,1327 6.176,1328 8.83,1329 0.113,1330 0.061,1331 8.83,1332 4.796,1333 7.231,1334 0.073,1335 0.036,1336 7.231,1337 3.536,1338 0.293,1339 84.514,1340 0.217,1341 26.74,1342 0.516,1343 146,1344 313.714,1345 151.575,1346 312.648,1347 437.79,1348 296,1349 173,1350 323.164,1351 179.158,1352 333.336,1353 488.02,1354 316,1355 8.699} {0 CHEMBL70710,1 1.325,2 7.857,3 5.028,4 25.285,5 86.783,6 6.271,7 0.435,8 3.891,9 4.035,10 3.315,11 3.428,12 4.803,13 3.366,14 4.498,15 4.714,16 3.671,17 3.854,18 5.331,19 3.761,20 4.792,21 5.053,22 3.768,23 4.016,24 5.6,25 3.892,26 4.867,27 5.124,28 3.767,29 4.079,30 5.673,31 3.94,32 4.96,33 5.241,34 3.594,35 4.083,36 5.682,37 3.89,38 4.964,39 5.284,40 3.406,41 3.977,42 5.632,43 3.753,44 4.77,45 5.099,46 3.19,47 3.786,48 5.406,49 3.548,50 4.472,51 4.782,52 3.02,53 3.522,54 5.185,55 3.312,56 0.047,57 0.725,58 11.234,59 4.65,60 5.906,61 6.626,62 0.132,63 1.199,64 20.772,65 7.801,66 14.252,67 11.444,68 0.293,69 1.51,70 28.061,71 10.065,72 27.583,73 14.84,74 0.225,75 1.629,76 30.095,77 11.335,78 25.811,79 16.231,80 0.25,81 1.639,82 32.704,83 12.633,84 29.793,85 18.01,86 0.314,87 1.498,88 32.699,89 11.985,90 35.306,91 17.499,92 0.271,93 1.18,94 26.532,95 9.904,96 26.928,97 14.774,98 0.139,99 0.935,100 19.746,101 7.385,102 16.009,103 10.842,104 19,105 32,106 0.231,107 0.54,108 0.756,109 0.799,110 0.799,111 0.799,112 3.104,113 1.077,114 -5.28,115 -5.17,116 -4.84,119 39.1,120 2,121 5,125 2,127 1,140 2,141 3,142 1,149 1,150 1,169 9,172 4,176 2,178 9,182 4,186 2,189 8,193 2,197 2,199 8,203 2,208 1,211 11,218 1,220 1,222 9,233 8,242 2,244 4,254 2,259 498,260 14.516,261 14.516,262 14.516,263 14.516,264 14.516,265 13.314,266 15.183,267 8.717,268 14.737,269 11.295,270 11.295,271 11.295,272 11.295,273 11.295,274 9.438,275 17.297,276 3.941,277 11.69,278 4.199,279 2.429,280 1.196,281 0.946,282 0.946,283 0.946,284 3.784,288 1,289 1,290 350,291 3.162,294 37.952,295 81.749,298 65.168,299 69.883,302 1.224,303 15.532,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 44.5,315 165,316 4.664,317 3.428,318 6.826,319 4.229,320 3.245,321 4.619,322 0.8,323 11.314,324 3.193,325 3.94,326 3.09,327 6.169,328 3.764,329 2.819,330 3.321,332 9.124,333 2.664,334 3.663,335 2.743,336 5.875,337 3.371,338 2.407,339 2.924,341 7.981,342 2.316,343 3.514,344 2.4,345 5.283,346 3.078,347 2.115,348 2.745,350 6.364,351 2.021,352 2.691,353 1.77,354 4.431,355 2.601,356 1.625,357 1.759,359 4.323,360 1.583,361 2.663,362 1.618,363 4.024,364 2.305,365 1.339,366 1.671,368 3.29,369 1.288,370 2.247,371 1.298,372 3.648,373 2.237,374 1.247,375 1.247,377 2.117,378 1.233,379 2.193,380 0.955,381 3.39,382 1.832,383 0.855,384 1.077,386 2.062,387 0.833,388 2.066,389 0.888,390 3.247,391 1.707,392 0.751,393 0.993,395 2,396 0.714,397 1.688,398 0.768,399 2.925,400 1.617,401 0.651,402 0.672,404 1.046,405 0.625,406 1.154,407 0.299,408 2.669,409 0.891,410 -0.052,411 -0.059,413 -0.123,414 -0.048,415 0.637,416 -0.287,417 2.458,418 0.521,419 -0.445,420 -0.445,422 -0.632,423 -0.428,424 0.555,425 -0.368,426 2.231,427 0.308,428 -0.681,429 -0.795,431 -1.595,432 -0.669,433 0.345,434 -0.536,435 1.899,436 0.161,437 -0.782,438 -0.854,440 -1.96,441 -0.721,442 0.121,443 -0.975,444 1.648,445 -0.129,446 -1.121,447 -1.18,449 -2.442,450 -1.069,451 10.086,452 0.48,453 0.431,454 0.021,455 21,456 1,457 8,458 0.381,459 13,460 0.619,461 21.944,462 1.045,463 24.114,464 0.524,465 12.106,466 0.576,467 3.592,468 0.171,469 6.649,470 0.317,471 0.127,473 0.337,477 1,479 0.654,480 1.219,481 0.94,482 1.188,483 0.53,484 1.116,485 0.76,486 1.074,487 0.935,488 1.047,489 0.507,490 1.013,491 0.836,492 0.93,493 0.918,494 0.933,495 0.694,496 0.931,497 0.935,498 1.081,499 1.014,500 1.076,501 0.805,502 1.057,503 0.896,504 1.077,505 1.069,506 1.15,507 0.967,508 1.141,509 0.812,510 0.838,511 0.947,512 0.931,513 0.838,514 0.953,515 0.415,516 0.678,517 0.82,518 0.873,519 0.449,520 0.896,521 0.588,522 0.919,523 0.887,524 1.009,525 0.576,526 0.991,527 3.5,529 2.667,530 1.181,531 1.374,532 0.632,533 0.415,534 0.286,535 0.177,536 0.121,537 3876,538 7596,539 2.074,540 54.3,541 8,542 7,543 1,545 1,547 8,550 1.637,551 1.938,552 2.994,553 -0.385,559 60.929,560 1.325,561 3.094,562 4.327,563 4.578,564 4.578,565 4.578,566 2.453,567 4.011,568 4.362,569 3.111,570 653.271,571 7.5,572 6750.43,574 1,577 254.084,578 1.418,579 4.322,580 0.152,582 0.083,583 0.035,584 0.042,585 0.024,586 0.02,587 0.017,588 0.013,589 0.015,590 0.401,591 0.67,592 1,593 1.466,594 93.037,595 0.002,596 -0.087,597 0.055,598 -0.011,599 -0.002,600 0.021,601 -0.014,602 -0.055,603 0.05,604 0.011,605 0.052,606 0.034,607 0.061,608 0.059,609 0.068,610 0.063,611 0.068,612 0.066,613 -0.03,614 -0.076,615 -0.033,616 -0.06,617 0.046,618 -0.048,619 -0.039,620 -0.122,621 -0.114,622 -0.146,623 -0.055,624 -0.142,625 -0.005,626 0.02,627 -0.006,628 0.006,629 -0.042,631 0.118,632 0.072,633 0.082,634 0.058,635 0.031,636 0.063,637 0.042,638 -0.109,639 0.035,640 -0.06,641 0.022,642 -0.023,643 1.772,644 6.063,645 0.619,646 14.558,647 0.985,648 1.137,649 4.053,650 16.428,651 0.632,652 3.178,653 3.497,654 3.829,655 4.143,656 4.369,657 4.5,658 4.644,659 4.787,660 4.779,661 4.673,662 4.864,663 0.581,664 288.45,665 3.178,666 4.71,667 5.58,668 6.475,669 7.371,670 8.276,671 9.181,672 10.09,673 10.999,674 11.911,675 4.3,678 1,683 1,687 2,688 3,690 1,693 3,695 10,713 1,714 46,716 10,717 1,718 23,720 48,721 18,722 8,723 5,724 1,730 3,731 6,736 2,740 4,743 6,745 8,746 10,762 1,764 25,765 2,766 1,767 3,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,825 1,827 21,833 7,837 1,838 1,846 1,854 10.833,855 8.676,856 4.806,857 3.393,858 2.102,859 1.302,860 0.982,861 4.416,862 9.065,863 3.367,864 3.956,865 4.594,866 5.225,867 5.715,868 6.103,869 6.449,870 6.82,871 6.835,872 6.877,873 1,874 34,875 7.854,877 3.324,878 7.532,879 15.683,881 13.355,883 2.032,884 42.667,885 0.002,887 1,888 282.506,889 82.744,890 19.91,893 14.96,895 82.744,896 282.506,897 34.87,898 17.65,899 16.884,900 28,902 37.975,903 28.875,904 270.735,906 282.506,907 102.654,908 14.96,911 203.298,912 94.169,915 54.444,916 48.209,919 297.467,920 19.91,921 82.744,924 282.506,925 37.093,926 48.775,927 16.786,928 14.96,929 282.506,930 34.87,931 82.744,933 0.565,934 0.348,935 0.208,936 0.113,937 16,938 7,939 0.104,940 5,941 2,942 1.308,943 3.252,944 165.921,945 0.308,946 13,947 86.239,951 14.743,952 6.291,953 2.772,954 1.759,955 18.084,956 5.63,958 3.044,961 2.469,963 16.786,964 400.12,965 28,975 45.32,976 52.319,977 0.24,978 0.56,979 0.783,980 0.829,981 0.829,982 0.829,983 4.61,984 0.855,985 5.565,986 2.117,987 4.174,988 4.64,989 0.673,990 6.422,991 4.109,992 5.798,993 0.751,994 7.148,995 2.062,996 3.761,997 4.543,998 0.325,999 7.413,1000 3.647,1001 7.114,1002 0.651,1003 8.837,1004 2,1005 5.796,1006 6.892,1007 0.379,1008 10.556,1009 5.673,1010 8.474,1011 -0.052,1012 10.588,1013 1.046,1014 6.256,1015 7.72,1016 0.268,1017 12.377,1018 6.093,1019 9.874,1020 -0.445,1021 12.378,1022 -0.123,1023 7.734,1024 9.542,1025 0.239,1026 15.031,1027 7.564,1028 11.302,1029 -0.681,1030 14.193,1031 -0.632,1032 8.582,1033 10.77,1034 0.188,1035 17.185,1036 8.384,1037 12.75,1038 -0.782,1039 16.027,1040 -1.595,1041 9.851,1042 12.406,1043 0.156,1044 19.68,1045 9.644,1046 3.245,1047 -1.121,1048 17.873,1049 -1.96,1050 10.873,1051 13.808,1052 0.125,1053 21.979,1054 10.646,1055 2.819,1056 11.314,1057 19.73,1058 -2.442,1059 12.066,1060 15.376,1061 0.102,1062 24.42,1063 11.829,1064 2.407,1065 9.124,1066 21.595,1067 4.619,1068 13.165,1069 16.852,1070 0.082,1071 26.784,1072 12.913,1073 2.115,1074 7.981,1075 23.466,1076 3.321,1077 14.333,1078 18.396,1079 0.066,1080 29.209,1081 14.071,1082 1.625,1083 6.364,1084 25.343,1085 2.924,1086 15.468,1087 19.903,1088 0.054,1089 31.602,1090 15.193,1091 1.339,1092 4.323,1093 27.224,1094 2.745,1095 16.63,1096 21.438,1097 0.043,1098 34.023,1099 16.345,1100 1.247,1101 3.29,1102 29.11,1103 1.759,1104 17.782,1105 22.958,1106 0.035,1107 36.432,1108 17.484,1109 3885,1110 5604,1111 15.315,1112 29.086,1113 34.312,1114 34.619,1115 35.985,1116 34.177,1117 34.109,1118 42.057,1119 1.6,1120 99.241,1121 32.943,1122 5.61,1123 5.428,1124 6.628,1125 5.243,1126 5.245,1127 7.619,1128 1.2,1129 18.828,1130 5.193,1131 9.896,1132 1.492,1133 1.505,1134 1.565,1135 1.486,1136 1.483,1137 1.829,1138 0.07,1139 4.315,1140 1.432,1141 4.158,1142 4.19,1143 4.12,1144 4.079,1145 8.201,1146 4.084,1147 3.817,1148 3.885,1149 3.703,1150 3.656,1151 4.91,1152 3.658,1153 3.605,1154 3.673,1155 3.462,1156 3.468,1157 4.387,1158 3.456,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.212,1164 3.32,1165 3.308,1166 3.366,1167 3.204,1168 3.175,1169 4.04,1170 3.171,1171 3.054,1172 3.15,1173 2.874,1174 2.875,1175 3.844,1176 2.855,1177 3.021,1178 3.108,1179 2.836,1180 2.814,1181 3.593,1182 2.813,1183 2.766,1184 2.848,1185 2.561,1186 2.575,1187 3.53,1188 2.559,1189 0.203,1190 0.149,1191 0.297,1192 0.184,1193 0.141,1194 4.664,1195 0.201,1196 3.428,1197 0.035,1198 6.826,1199 0.492,1200 4.229,1201 0.139,1202 3.245,1203 4.619,1204 0.8,1205 11.314,1206 3.193,1207 2.024,1208 2.001,1209 2.13,1210 2.115,1211 1.476,1212 2.121,1213 1.736,1214 1.672,1215 1.96,1216 1.925,1217 1.23,1218 1.937,1219 1.539,1220 1.467,1221 1.861,1222 1.747,1223 1.09,1224 1.785,1225 1.53,1226 1.459,1227 1.721,1228 1.738,1229 0.977,1230 1.744,1231 1.459,1232 1.405,1233 1.648,1234 1.614,1235 0.774,1236 1.636,1237 1.175,1238 1.099,1239 1.484,1240 1.395,1241 0.635,1242 1.432,1243 0.984,1244 0.882,1245 1.364,1246 1.247,1247 0.544,1248 1.291,1249 0.852,1250 0.777,1251 1.24,1252 1.062,1253 0.403,1254 1.131,1255 3.85,1257 5.165,1258 2.398,1259 6.696,1260 4.595,1261 8.339,1262 6.629,1263 10.044,1265 4.498,1267 14.063,1271 7.962,1275 0.612,1276 2.63,1280 26.748,1281 60.929,1282 142.335,1283 199.064,1284 210.574,1285 210.574,1286 210.574,1287 33.769,1288 6.963,1289 19.03,1290 19.03,1291 17,1292 12.425,1293 3.459,1294 2.585,1295 32.017,1296 62,1297 60,1298 0.269,1299 164.33,1300 278.59,1301 392.724,1302 8359,1303 2.2,1304 14.82,1305 0.706,1306 0.623,1307 13.949,1308 13.084,1309 10.241,1310 0.445,1311 0.359,1312 8.182,1313 9.96,1314 7.95,1315 6.638,1316 9.83,1317 8.255,1318 8.806,1319 0.275,1320 0.194,1321 8.267,1322 6.195,1323 7.654,1324 0.17,1325 0.105,1326 7.25,1327 4.724,1328 6.812,1329 0.11,1330 0.061,1331 6.386,1332 3.791,1333 5.43,1334 0.07,1335 0.036,1336 5.075,1337 2.79,1338 0.405,1339 63.339,1340 0.256,1341 20.335,1342 0.788,1343 110,1344 280.089,1345 117.966,1346 250.386,1347 345.93,1348 236,1349 132,1350 257.77,1351 140.418,1352 256.745,1353 382.06,1354 244,1355 7.854} {0 CHEMBL70882,1 1.307,2 8,3 5.234,4 27.398,5 91.68,6 6.173,7 0.417,8 3.948,9 4.093,10 3.362,11 3.477,12 4.848,13 3.411,14 4.563,15 4.789,16 3.724,17 3.903,18 5.376,19 3.812,20 4.84,21 5.093,22 3.842,23 4.092,24 5.64,25 3.97,26 4.951,27 5.205,28 3.859,29 4.168,30 5.77,31 4.028,32 5.044,33 5.325,34 3.669,35 4.157,36 5.809,37 3.968,38 5.022,39 5.337,40 3.486,41 4.057,42 5.681,43 3.835,44 4.862,45 5.185,46 3.297,47 3.891,48 5.486,49 3.654,50 4.624,51 4.941,52 3.139,53 3.656,54 5.296,55 3.444,56 0.048,57 0.764,58 12.078,59 4.948,60 6.492,61 7.112,62 0.162,63 1.265,64 22.375,65 8.085,66 15.414,67 12.06,68 0.296,69 1.601,70 29.459,71 10.762,72 25.023,73 15.823,74 0.224,75 1.781,76 32.702,77 12.487,78 28.466,79 17.865,80 0.316,81 1.82,82 35.859,83 13.671,84 39.38,85 19.243,86 0.315,87 1.598,88 34.337,89 12.796,90 34.318,91 18.643,92 0.274,93 1.301,94 28.774,95 10.898,96 27.498,97 16.222,98 0.176,99 1.068,100 22.847,101 8.33,102 17.756,103 12.395,104 26,105 34,106 0.225,107 0.512,108 0.757,109 0.797,110 0.797,111 0.797,112 3.148,113 1.081,114 -5.51,115 -5.39,116 -5.03,119 38.8,120 2,121 5,124 1,125 2,127 1,140 2,141 3,142 1,149 1,150 1,169 9,172 6,178 9,182 6,189 8,193 4,199 8,203 3,211 11,214 1,215 1,222 9,233 8,237 2,244 4,249 2,259 580,260 15.016,261 15.016,262 15.016,263 15.016,264 15.016,265 13.769,266 18.345,267 8.903,268 15.281,269 11.768,270 11.768,271 11.768,272 11.768,273 11.768,274 9.832,275 21.084,276 4.022,277 12.229,278 4.308,279 2.644,280 1.22,281 0.985,282 0.985,283 0.985,284 3.826,288 1,289 1,290 371,291 3.24,294 39.782,295 86.412,298 68.42,299 73.738,302 1.182,303 15.139,306 0.75,307 1,308 1,309 1,310 1,311 1,312 1,313 0.96,314 46.5,315 176,316 4.727,317 3.469,318 6.952,319 4.277,320 3.301,321 4.706,322 0.8,323 11.733,324 3.226,325 4.025,326 3.117,327 6.249,328 3.804,329 2.857,330 3.469,332 9.332,333 2.707,334 3.712,335 2.781,336 6.002,337 3.472,338 2.516,339 2.929,341 8.434,342 2.398,343 3.516,344 2.518,345 5.284,346 3.08,347 2.123,348 2.758,350 6.369,351 2.021,352 3.031,353 1.967,354 4.772,355 2.688,356 1.737,357 2.199,359 4.827,360 1.648,361 2.664,362 1.754,363 4.429,364 2.555,365 1.589,366 1.671,368 4.298,369 1.524,370 2.352,371 1.298,372 3.928,373 2.237,374 1.247,375 1.301,377 2.816,378 1.233,379 2.247,380 1.284,381 3.652,382 2.044,383 1.054,384 1.247,386 2.117,387 1.042,388 2.099,389 0.952,390 3.247,391 1.808,392 0.835,393 1.042,395 2.115,396 0.808,397 1.689,398 0.768,399 2.94,400 1.628,401 0.655,402 0.672,404 1.048,405 0.634,406 1.155,407 0.336,408 2.683,409 0.891,410 -0.049,411 -0.056,413 -0.118,414 -0.045,415 0.876,416 -0.182,417 2.627,418 0.555,419 -0.413,420 -0.445,422 -0.632,423 -0.396,424 0.555,425 -0.287,426 2.243,427 0.521,428 -0.445,429 -0.495,431 -1.076,432 -0.428,433 0.347,434 -0.38,435 2,436 0.165,437 -0.779,438 -0.846,440 -1.598,441 -0.707,442 0.329,443 -0.691,444 1.905,445 0.101,446 -0.852,447 -0.961,449 -2.262,450 -0.825,451 10.586,452 0.481,453 0.521,454 0.024,455 21.75,456 0.989,457 8,458 0.364,459 13.75,460 0.625,461 23.803,462 1.082,463 25.414,464 0.519,465 13.279,466 0.604,467 3.73,468 0.17,469 6.922,470 0.315,471 0.169,473 0.359,477 1,479 0.632,480 1.312,481 0.95,482 1.254,483 0.532,484 1.162,485 0.852,486 1.007,487 0.925,488 0.951,489 0.503,490 0.936,491 0.848,492 0.953,493 0.939,494 0.958,495 0.734,496 0.954,497 0.889,498 1.139,499 1.008,500 1.124,501 0.755,502 1.087,503 1.235,504 1.139,505 1.142,506 1.133,507 1.392,508 1.134,509 0.816,510 0.865,511 0.969,512 0.96,513 0.843,514 0.981,515 0.402,516 0.738,517 0.841,518 0.925,519 0.434,520 0.937,521 0.635,522 0.855,523 0.888,524 0.937,525 0.525,526 0.939,527 4,529 2.889,530 1.75,531 1.494,532 0.774,533 0.466,534 0.377,535 0.227,536 0.161,537 4307,538 8141,539 2.043,540 55.1,541 8,542 10,543 1,547 8,550 1.65,551 1.886,552 3.024,553 -0.851,559 64.028,560 1.307,561 2.971,562 4.395,563 4.63,564 4.63,565 4.63,566 2.461,567 4.096,568 4.429,569 3.148,570 727.296,571 7.637,572 7759.23,577 275.121,578 1.495,579 4.376,580 0.167,582 0.085,583 0.047,584 0.041,585 0.028,586 0.02,587 0.02,588 0.014,589 0.016,590 0.438,591 0.5,592 0.88,593 1.482,594 99.108,595 0.031,596 -0.166,597 0.067,598 -0.062,599 -0.004,600 -0.008,601 -0.033,602 0.022,603 0.083,604 0.091,605 0.057,606 0.102,607 0.059,608 0.065,609 0.059,610 0.061,611 0.04,612 0.06,613 -0.002,614 -0.126,615 -0.023,616 -0.095,617 0.087,618 -0.067,619 -0.092,620 -0.078,621 -0.149,622 -0.123,623 -0.11,624 -0.14,625 -0.01,626 0.012,627 -0.026,628 -0.012,629 -0.047,630 -0.021,631 0.119,632 0.028,633 0.061,634 0.016,635 0.032,636 0.026,637 0.019,638 -0.046,639 0.038,640 -0.007,641 0.028,642 0.014,643 1.737,644 6.334,645 0.591,646 15.942,647 0.984,648 1.137,649 4.283,650 18.344,651 0.63,652 3.219,653 3.555,654 3.892,655 4.22,656 4.443,657 4.585,658 4.754,659 4.89,660 4.92,661 4.828,662 4.994,663 0.577,664 302.48,665 3.219,666 4.762,667 5.638,668 6.544,669 7.445,670 8.36,671 9.27,672 10.19,673 11.105,674 12.026,675 4.1,678 1,683 1,687 2,688 3,693 3,694 1,695 10,713 1,714 49,716 10,717 1,718 24,720 51,721 19,722 8,723 5,724 1,730 3,731 6,736 2,740 4,743 6,745 8,746 11,762 1,764 27,765 2,767 3,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,825 1,827 22,833 7,837 1,838 1,846 1,854 11.667,855 9.626,856 5,857 3.563,858 2.117,859 1.299,860 0.97,861 4.651,862 9.202,863 3.401,864 4.012,865 4.66,866 5.307,867 5.805,868 6.207,869 6.583,870 6.932,871 7.012,872 7.006,873 1,874 37,875 8.233,877 3.467,878 7.508,879 16.465,881 13.966,883 2.008,884 44.167,885 0.001,888 317.82,889 91.14,890 5.023,893 14.96,895 91.14,896 317.82,897 19.984,898 26.047,899 16.884,900 28,902 23.089,903 28.875,904 306.049,906 317.82,907 96.163,908 14.96,911 238.611,912 94.169,915 39.558,916 56.606,919 332.78,920 5.023,921 91.14,924 317.82,925 37.093,926 59.07,928 14.96,929 317.82,930 19.984,931 91.14,933 0.571,934 0.352,935 0.21,936 0.114,937 17,938 8,939 0.098,940 5,941 2,942 1.308,943 3.292,944 178.497,945 0.308,946 13,947 92.107,951 15.704,952 6.516,953 2.879,954 1.882,955 18.084,956 5.842,961 2.532,962 1.907,964 428.943,965 29,975 48.203,976 55.734,977 0.233,978 0.529,979 0.783,980 0.825,981 0.825,982 0.825,983 4.659,984 1.054,985 5.638,986 2.816,987 4.234,988 4.696,989 0.673,990 6.515,991 4.161,992 5.863,993 0.835,994 7.236,995 2.117,996 3.892,997 4.677,998 0.325,999 7.548,1000 3.755,1001 7.192,1002 0.655,1003 8.939,1004 2.115,1005 5.878,1006 6.975,1007 0.379,1008 10.698,1009 5.737,1010 8.563,1011 -0.049,1012 10.702,1013 1.048,1014 6.382,1015 7.853,1016 0.268,1017 12.564,1018 6.189,1019 9.974,1020 -0.413,1021 12.503,1022 -0.118,1023 7.843,1024 9.658,1025 0.239,1026 15.236,1027 7.644,1028 11.413,1029 -0.445,1030 14.33,1031 -0.632,1032 8.724,1033 10.924,1034 0.188,1035 17.439,1036 8.487,1037 12.873,1038 -0.779,1039 16.176,1040 -1.076,1041 9.991,1042 12.56,1043 0.156,1044 19.957,1045 9.743,1046 3.301,1047 -0.852,1048 18.037,1049 -1.598,1050 11.038,1051 13.991,1052 0.125,1053 22.302,1054 10.761,1055 2.857,1056 11.733,1057 19.908,1058 -2.262,1059 12.238,1060 15.568,1061 0.102,1062 24.772,1063 11.947,1064 2.516,1065 9.332,1066 21.788,1067 4.706,1068 13.358,1069 17.067,1070 0.082,1071 27.178,1072 13.044,1073 2.123,1074 8.434,1075 23.676,1076 3.469,1077 14.539,1078 18.624,1079 0.066,1080 29.636,1081 14.207,1082 1.737,1083 6.369,1084 25.57,1085 2.929,1086 15.692,1087 20.152,1088 0.054,1089 32.07,1090 15.339,1091 1.589,1092 4.827,1093 27.469,1094 2.758,1095 16.869,1096 21.702,1097 0.043,1098 34.525,1099 16.499,1100 1.247,1101 4.298,1102 29.373,1103 2.199,1104 18.038,1105 23.242,1106 0.035,1107 36.973,1108 17.648,1109 4343,1110 6132,1111 15.72,1112 30.847,1113 35.959,1114 36.388,1115 38.242,1116 35.935,1117 35.829,1118 43.99,1119 1.6,1120 106.178,1121 34.484,1122 5.673,1123 5.469,1124 6.754,1125 5.292,1126 5.301,1127 7.706,1128 1.2,1129 19.28,1130 5.226,1131 11.688,1132 1.498,1133 1.516,1134 1.593,1135 1.497,1136 1.493,1137 1.833,1138 0.067,1139 4.424,1140 1.437,1141 4.17,1142 4.202,1143 4.136,1144 4.089,1145 8.201,1146 4.095,1147 3.825,1148 3.892,1149 3.714,1150 3.666,1151 4.861,1152 3.669,1153 3.624,1154 3.691,1155 3.484,1156 3.482,1157 4.38,1158 3.472,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.215,1164 3.32,1165 3.324,1166 3.387,1167 3.212,1168 3.184,1169 4.04,1170 3.18,1171 3.138,1172 3.225,1173 2.96,1174 2.966,1175 3.845,1176 2.951,1177 3.045,1178 3.139,1179 2.85,1180 2.833,1181 3.771,1182 2.822,1183 2.916,1184 3.02,1185 2.648,1186 2.714,1187 3.54,1188 2.683,1189 0.197,1190 0.145,1191 0.29,1192 0.178,1193 0.138,1194 4.727,1195 0.196,1196 3.469,1197 0.033,1198 6.952,1199 0.489,1200 4.277,1201 0.134,1202 3.301,1203 4.706,1204 0.8,1205 11.733,1206 3.226,1207 2.027,1208 2.003,1209 2.131,1210 2.118,1211 1.477,1212 2.123,1213 1.741,1214 1.677,1215 1.962,1216 1.935,1217 1.232,1218 1.943,1219 1.594,1220 1.526,1221 1.861,1222 1.813,1223 1.09,1224 1.819,1225 1.539,1226 1.459,1227 1.798,1228 1.738,1229 1.005,1230 1.785,1231 1.479,1232 1.424,1233 1.689,1234 1.627,1235 0.83,1236 1.652,1237 1.21,1238 1.141,1239 1.502,1240 1.41,1241 0.759,1242 1.446,1243 1.019,1244 0.92,1245 1.382,1246 1.283,1247 0.547,1248 1.32,1249 0.959,1250 0.863,1251 1.338,1252 1.199,1253 0.439,1254 1.253,1255 3.892,1257 5.22,1258 2.398,1259 6.763,1260 4.727,1261 8.415,1262 6.843,1263 10.128,1265 6.438,1267 14.334,1271 7.98,1275 0.612,1276 2.64,1280 28.275,1281 64.028,1282 145.572,1283 215.346,1284 226.856,1285 226.856,1286 226.856,1287 36.432,1288 7.084,1289 8.17,1290 8.17,1291 17,1292 12.535,1293 3.459,1294 2.585,1295 34.293,1296 66,1297 66,1298 0.268,1299 173.922,1300 295.89,1301 416.13,1302 9605,1303 2,1304 15.69,1305 0.713,1306 0.638,1307 14.82,1308 14.032,1309 10.651,1310 0.444,1311 0.36,1312 8.56,1313 10.333,1314 8.261,1315 6.921,1316 10.241,1317 8.646,1318 9.343,1319 0.275,1320 0.195,1321 8.794,1322 6.618,1323 8.063,1324 0.168,1325 0.105,1326 7.731,1327 5.037,1328 7.284,1329 0.109,1330 0.06,1331 6.713,1332 4.039,1333 5.737,1334 0.068,1335 0.035,1336 5.404,1337 2.965,1338 0.404,1339 66.009,1340 0.252,1341 21.144,1342 0.785,1343 116,1344 291.401,1345 124.327,1346 261.1,1347 361.53,1348 246,1349 140,1350 270.615,1351 149.251,1352 271.125,1353 403.13,1354 256,1355 6.664} {0 CHEMBL70980,1 1.197,2 11.375,3 5.233,4 27.388,5 101.427,6 6.37,7 0.593,8 3.978,9 4.115,10 3.43,11 3.587,12 4.885,13 3.519,14 4.55,15 4.74,16 3.747,17 4.018,18 5.362,19 3.91,20 4.861,21 5.113,22 3.74,23 4.153,24 5.554,25 3.992,26 4.907,27 5.185,28 3.6,29 4.101,30 5.556,31 3.911,32 4.844,33 5.137,34 3.439,35 3.978,36 5.453,37 3.768,38 4.735,39 5.039,40 3.313,41 3.827,42 5.349,43 3.619,44 4.606,45 4.914,46 3.161,47 3.689,48 5.232,49 3.48,50 4.442,51 4.745,52 3.083,53 3.605,54 5.044,55 3.408,56 0.063,57 0.693,58 11.865,59 4.968,60 8.448,61 7.129,62 0.119,63 1.18,64 21.204,65 8.763,66 14.199,67 12.646,68 0.158,69 1.512,70 28.917,71 12.001,72 18.436,73 17.37,74 0.179,75 1.55,76 30.384,77 12.264,78 20.457,79 17.9,80 0.163,81 1.428,82 28.466,83 11.501,84 18.913,85 16.811,86 0.161,87 1.283,88 25.662,89 9.944,90 18.312,91 14.701,92 0.182,93 1.131,94 22.632,95 8.577,96 17.987,97 12.701,98 0.111,99 0.941,100 18.956,101 7.763,102 12.667,103 11.297,105 36,106 0.202,107 0.525,108 0.719,109 0.839,110 0.877,111 0.877,112 3.227,113 1.025,114 -5.55,115 -5.43,116 -5.06,119 44,121 5,122 1,125 2,140 8,141 4,149 1,150 1,169 18,176 5,178 22,186 5,189 20,197 5,199 11,208 6,211 6,220 5,222 5,230 1,231 2,233 8,244 12,254 1,256 14,259 840,260 16.913,261 16.913,262 16.913,263 16.913,264 16.913,265 15.005,266 15.671,267 10.374,268 17.041,269 13.392,270 13.392,271 13.392,272 13.392,273 13.392,274 10.578,275 14.885,276 4.983,277 13.584,278 4.446,279 2.533,280 1.38,281 0.67,282 0.44,283 0.44,284 3.936,288 1,289 1,290 614,291 2.828,294 49.767,295 185.677,298 84.787,299 89.338,302 1.76,303 7.36,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 49,315 273,316 4.591,317 3.303,318 6.715,319 4.164,320 3.17,321 4.525,322 0.4,323 10.93,324 3.151,325 3.897,326 2.721,327 5.757,328 3.541,329 2.556,330 3.444,332 7.831,333 2.524,334 3.838,335 2.63,336 5.34,337 3.519,338 2.52,339 3.284,341 6.965,342 2.511,343 3.35,344 2.335,345 5.246,346 3.183,347 2.197,348 2.513,350 6.594,351 2.166,352 3.163,353 1.937,354 4.758,355 2.747,356 1.758,357 2.337,359 5.01,360 1.737,361 2.954,362 1.784,363 3.801,364 2.657,365 1.676,366 2.116,368 3.462,369 1.644,370 2.644,371 1.552,372 3.767,373 2.393,374 1.416,375 1.705,377 2.986,378 1.38,379 2.594,380 1.315,381 3.554,382 2.207,383 1.226,384 1.599,386 2.858,387 1.201,388 2.5,389 1,390 3.427,391 2,392 1,393 1.5,395 2.136,396 1,397 2.098,398 0.939,399 3.247,400 1.838,401 0.86,402 0.993,404 2.058,405 0.84,406 2.014,407 0.914,408 3.209,409 1.762,410 0.796,411 0.935,413 1.847,414 0.767,415 1.831,416 0.622,417 3.045,418 1.533,419 0.56,420 0.726,422 1.333,423 0.544,424 1.18,425 0.216,426 2.592,427 1.018,428 0.037,429 0.041,431 0.086,432 0.036,433 0.871,434 -0.207,435 2.498,436 0.616,437 -0.373,438 -0.431,440 -0.89,441 -0.369,442 0.632,443 -0.528,444 2.213,445 0.314,446 -0.675,447 -0.788,449 -1.607,450 -0.667,451 11.8,452 0.492,453 0.359,454 0.015,455 28.5,456 1.188,457 14,458 0.583,459 14.5,460 0.604,461 20.847,462 0.869,463 25.4,464 0.508,465 16.266,466 0.678,467 5.241,468 0.218,469 6.658,470 0.277,473 0.254,479 1.164,480 1.115,481 0.963,482 0.999,483 0.938,484 0.976,485 1.218,486 1.122,487 1.089,488 1.083,489 1.002,490 1.08,491 0.973,492 1.051,493 1.035,494 1.052,495 0.902,496 1.048,497 1.09,498 1.042,499 1.062,500 1.048,501 1.062,502 1.052,503 0.938,504 1.07,505 1.009,506 1.048,507 0.94,508 1.035,509 1.115,510 1.058,511 0.975,512 0.99,513 0.903,514 0.978,515 1.29,516 0.904,517 1.008,518 0.916,519 1.044,520 0.941,521 0.95,522 0.78,523 0.895,524 0.834,525 0.97,526 0.857,527 3,528 0.09,529 2,530 0.75,531 0.929,532 0.382,533 0.18,534 0.171,535 0.105,536 0.05,537 7938,538 14675,539 2.213,540 52,541 8,542 12,543 1,545 2,547 3,550 1.66,551 2.182,552 3.453,553 0.132,559 59.874,560 1.197,561 3.111,562 4.263,563 4.974,564 5.204,565 5.204,566 2.872,567 4.335,568 4.558,569 3.651,570 1007.74,571 7.816,572 12567.5,577 282.193,578 0.811,579 4.56,580 0.111,581 0.006,582 0.056,583 0.022,584 0.033,585 0.017,586 0.009,587 0.01,588 0.006,589 0.003,590 0.272,591 0.5,592 0.88,594 117.105,595 -0.014,596 0.04,597 0.058,598 0.062,599 0.11,600 0.064,601 -0.108,602 -0.031,603 -0.084,604 -0.057,605 -0.026,606 -0.067,607 -0.044,608 -0.053,609 -0.055,610 -0.056,611 -0.018,612 -0.056,613 -0.071,614 -0.066,615 -0.082,616 -0.077,617 -0.124,618 -0.08,619 0.02,620 -0.122,621 -0.036,622 -0.084,623 -0.04,624 -0.067,625 0.036,626 -0.103,627 0.007,628 -0.047,629 0.059,630 -0.026,631 0.039,632 0.069,633 -0.016,634 0.013,635 -0.004,636 -0.001,637 -0.046,638 0.16,639 0.075,640 0.132,641 -0.066,642 0.114,643 0.56,644 1.19,645 0.792,646 22,647 0.976,648 1.12,649 4.322,650 18.677,651 0.663,652 3.332,653 3.611,654 3.892,655 4.159,656 4.369,657 4.407,658 4.511,659 4.625,660 4.625,661 4.585,662 6.878,663 0.607,664 318.5,665 3.332,666 4.844,667 5.687,668 6.547,669 7.408,670 8.278,671 9.149,672 10.026,673 10.904,674 11.786,675 4,677 1,683 1,687 2,688 9,690 1,693 3,695 16,714 50,716 16,717 2,718 27,720 53,721 22,722 14,723 5,724 7,730 4,731 7,740 3,741 1,743 5,745 14,746 8,747 1,764 26,765 1,766 2,767 2,773 2,777 0.5,788 1,792 1,793 3,796 1,797 1,814 1,819 2,827 24,833 7,834 1,837 1,854 11,855 8.583,856 5.333,857 3.292,858 2.932,859 1.396,860 1.025,861 4.773,862 10.338,863 3.584,864 4.155,865 4.753,866 5.341,867 5.817,868 6.039,869 6.367,870 6.694,871 6.604,872 6.682,873 1,874 34,875 8.912,877 3.749,878 7.299,879 18.083,881 15.527,883 1.799,884 43.167,885 0.001,888 282.506,889 116.015,890 34.796,895 116.015,896 282.506,897 34.796,899 16.884,900 102.868,902 28.915,903 13.915,904 270.735,906 282.506,907 150.812,911 247.193,912 35.313,915 51.68,916 99.131,919 282.506,920 34.796,921 116.015,924 282.506,925 31.158,926 84.857,927 34.796,929 282.506,930 34.796,931 116.015,933 0.565,934 0.329,935 0.184,936 0.098,937 18,938 6,939 0.113,940 6,941 2,942 1.211,943 3.907,944 189.057,945 0.211,946 19,947 104.039,951 15.621,952 7.334,953 3.633,954 2.714,955 18.011,956 19.646,958 3.344,961 4.583,963 34.796,964 433.318,965 35,975 48.807,976 55.979,977 0.212,978 0.551,979 0.755,980 0.881,981 0.922,982 0.922,983 4.787,984 1.226,985 5.624,986 2.986,987 4.29,988 4.84,989 0.278,990 6.389,991 4.266,992 5.951,993 1,994 7.14,995 2.858,996 3.611,997 4.477,999 7.195,1000 3.595,1001 7.23,1002 0.86,1003 8.762,1004 2.136,1005 5.82,1006 7.033,1007 0.05,1008 10.331,1009 5.781,1010 8.552,1011 0.796,1012 10.453,1013 2.058,1014 6.066,1015 7.647,1017 12.07,1018 6.032,1019 9.915,1020 0.56,1021 12.191,1022 1.847,1023 7.647,1024 9.588,1025 0.008,1026 14.699,1027 7.598,1028 11.308,1029 0.037,1030 13.964,1031 1.333,1032 8.35,1033 10.668,1035 16.819,1036 8.301,1037 12.725,1038 -0.373,1039 15.761,1040 0.086,1041 9.664,1042 12.355,1043 0.001,1044 19.29,1045 9.605,1046 3.17,1047 -0.675,1048 17.578,1049 -0.89,1050 10.596,1051 13.662,1053 21.568,1054 10.535,1055 2.556,1056 10.93,1057 19.41,1058 -1.607,1059 11.799,1060 15.242,1062 23.986,1063 11.73,1064 2.52,1065 7.831,1066 21.254,1067 4.525,1068 12.843,1069 16.656,1071 26.33,1072 12.77,1073 2.197,1074 6.965,1075 23.108,1076 3.444,1077 14.005,1078 18.192,1080 28.731,1081 13.926,1082 1.758,1083 6.594,1084 24.97,1085 3.284,1086 15.103,1087 19.657,1089 31.102,1090 15.019,1091 1.676,1092 5.01,1093 26.84,1094 2.513,1095 16.252,1096 21.175,1098 33.496,1099 16.161,1100 1.416,1101 3.462,1102 28.715,1103 2.337,1104 17.377,1105 22.664,1107 35.879,1108 17.28,1109 7300,1110 9995,1111 19.068,1112 33.148,1113 39.832,1114 39.802,1115 39.734,1116 39.508,1117 39.546,1118 51.436,1119 0.8,1120 108.191,1121 39.001,1122 5.541,1123 5.303,1124 6.516,1125 5.183,1126 5.17,1127 7.525,1128 0.8,1129 18.139,1130 5.151,1132 1.475,1133 1.474,1134 1.472,1135 1.463,1136 1.465,1137 1.905,1138 0.03,1139 4.007,1140 1.444,1141 4.153,1142 4.186,1143 4.105,1144 4.082,1145 4.969,1146 4.083,1147 3.926,1148 3.962,1149 3.844,1150 3.865,1151 4.752,1152 3.856,1153 3.768,1154 3.829,1155 3.651,1156 3.636,1157 4.385,1158 3.632,1159 3.569,1160 3.641,1161 3.423,1162 3.417,1163 4.245,1164 3.407,1165 3.349,1166 3.411,1167 3.214,1168 3.238,1169 3.968,1170 3.226,1171 3.123,1172 3.205,1173 2.958,1174 2.955,1175 3.794,1176 2.946,1177 3.036,1178 3.123,1179 2.846,1180 2.873,1181 3.674,1182 2.854,1183 2.886,1184 2.961,1185 2.717,1186 2.756,1187 3.579,1188 2.739,1189 0.17,1190 0.122,1191 0.249,1192 0.154,1193 0.117,1194 4.591,1195 0.168,1196 3.303,1197 0.015,1198 6.715,1199 0.405,1200 4.164,1201 0.117,1202 3.17,1203 4.525,1204 0.4,1205 10.93,1206 3.151,1207 2.032,1208 2.007,1209 2.147,1210 2.111,1211 1.492,1212 2.125,1213 1.925,1214 1.894,1215 2.067,1216 2.013,1217 1.29,1218 2.033,1219 1.677,1220 1.62,1221 1.871,1222 1.856,1223 1.078,1224 1.864,1225 1.541,1226 1.475,1227 1.773,1228 1.74,1229 0.984,1230 1.75,1231 1.47,1232 1.413,1233 1.652,1234 1.634,1235 0.826,1236 1.653,1237 1.247,1238 1.175,1239 1.534,1240 1.449,1241 0.669,1242 1.484,1243 1.06,1244 0.98,1245 1.374,1246 1.285,1247 0.573,1248 1.322,1249 0.886,1250 0.821,1251 1.21,1252 1.07,1253 0.438,1254 1.123,1255 4.007,1257 5.293,1258 2.398,1259 6.783,1260 4.595,1261 8.374,1262 6.605,1263 10.024,1271 8.417,1272 3.69,1275 0.773,1280 30.364,1281 59.874,1282 155.55,1283 213.173,1284 248.683,1285 260.193,1286 260.193,1287 27.637,1288 7.407,1289 27.82,1290 27.82,1291 23,1292 12.322,1293 4.087,1294 3.17,1295 34.277,1296 99,1297 96,1298 0.164,1299 185.325,1300 310.54,1301 443.953,1302 18372,1304 16.192,1305 0.675,1306 0.593,1307 16.192,1308 14.223,1309 11.899,1310 0.441,1311 0.342,1312 9.183,1313 11.754,1314 8.977,1315 7.443,1316 11.899,1317 9.225,1318 10.177,1319 0.283,1320 0.196,1321 10.177,1322 7.044,1323 8.782,1324 0.183,1325 0.112,1326 8.782,1327 5.352,1328 7.438,1329 0.118,1330 0.064,1331 7.438,1332 4.009,1333 5.971,1334 0.077,1335 0.038,1336 5.971,1337 2.939,1338 0.267,1339 72.348,1340 0.229,1341 24.117,1342 0.423,1343 126,1344 234.666,1345 129.108,1346 241.134,1347 346.37,1348 230,1349 147,1350 263.099,1351 150.331,1352 273.163,1353 398.16,1354 260,1355 7.201} {0 CHEMBL70985,1 1.401,2 8.68,3 5.435,4 29.541,5 101.813,6 6.38,7 0.37,8 4.044,9 4.183,10 3.472,11 3.578,12 4.994,13 3.518,14 4.652,15 4.866,16 3.837,17 3.999,18 5.524,19 3.912,20 4.944,21 5.192,22 3.988,23 4.172,24 5.858,25 4.069,26 5.024,27 5.257,28 4.036,29 4.259,30 5.963,31 4.149,32 5.133,33 5.39,34 3.956,35 4.309,36 5.963,37 4.155,38 5.2,39 5.488,40 3.87,41 4.257,42 6.114,43 4.082,44 5.084,45 5.383,46 3.649,47 4.118,48 5.898,49 3.92,50 4.882,51 5.177,52 3.46,53 3.917,54 5.695,55 3.728,56 0.043,57 0.826,58 12.905,59 5.504,60 6.245,61 7.7,62 0.143,63 1.361,64 24.079,65 9.191,66 15.896,67 13.296,68 0.341,69 1.721,70 32.811,71 11.701,72 40.952,73 17.01,74 0.354,75 1.888,76 35.641,77 13.079,78 43.473,79 18.51,80 0.287,81 2.007,82 39.26,83 14.992,84 39.052,85 21.284,86 0.564,87 1.989,88 42.559,89 15.081,90 89.677,91 21.734,92 0.481,93 1.708,94 37.588,95 13.454,96 58.052,97 19.564,98 0.298,99 1.43,100 30.719,101 10.881,102 40.303,103 15.736,104 45,105 38,106 0.235,107 0.523,108 0.738,109 0.81,110 0.81,111 0.81,112 3.268,113 1.076,114 -5.31,115 -5.19,116 -4.85,119 38.9,120 3,121 6,125 2,127 1,140 1,141 4,142 1,149 1,150 1,155 1,169 10,172 6,176 2,178 10,182 6,186 2,189 10,193 3,195 1,197 3,199 10,203 4,208 2,211 14,215 2,218 1,220 1,222 13,225 1,226 2,233 11,237 1,242 2,244 5,249 2,254 2,256 2,259 886,260 17.093,261 17.093,262 17.093,263 17.093,264 17.093,265 15.807,266 18.824,267 10.093,268 17.276,269 13.173,270 13.173,271 13.173,272 13.173,273 13.173,274 11.021,275 19.921,276 4.492,277 13.49,278 4.354,279 2.638,280 1.362,281 0.931,282 0.931,283 0.931,284 3.946,288 1,289 1,290 450,291 3.808,294 46.196,295 100.946,298 79.556,299 86.199,302 1.238,303 26.747,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 53.5,315 217,316 4.765,317 3.668,318 7.054,319 4.335,320 3.346,321 4.737,322 1.277,323 12.148,324 3.311,325 4.03,326 3.372,327 6.209,328 3.821,329 2.858,330 3.451,331 0.8,332 9.254,333 2.778,334 3.878,335 3.088,336 5.996,337 3.6,338 2.608,339 3.267,341 8.42,342 2.555,343 3.657,344 2.744,345 5.861,346 3.342,347 2.383,348 2.751,350 7.874,351 2.277,352 3.332,353 2.465,354 5.159,355 2.948,356 1.95,357 2.564,359 5.832,360 1.929,361 2.703,362 1.792,363 4.435,364 2.601,365 1.624,366 1.756,368 4.316,369 1.583,370 2.669,371 1.651,372 4.144,373 2.333,374 1.35,375 1.673,377 3.424,378 1.323,379 2.318,380 1.301,381 3.881,382 2.237,383 1.247,384 1.247,386 2.52,387 1.233,388 2.247,389 1.298,390 3.677,391 1.924,392 0.959,393 1.235,395 2.161,396 0.917,397 2.07,398 0.985,399 3.247,400 1.787,401 0.828,402 1.005,404 2.117,405 0.792,406 1.689,407 0.909,408 2.947,409 1.639,410 0.663,411 0.674,413 1.052,414 0.645,415 1.468,416 0.768,417 2.692,418 1.219,419 0.17,420 0.204,422 0.232,423 0.176,424 1.155,425 0.318,426 2.681,427 0.891,428 -0.051,429 -0.059,431 -0.123,432 -0.047,433 0.771,434 -0.287,435 2.313,436 0.521,437 -0.445,438 -0.445,440 -0.632,441 -0.428,442 0.555,443 -0.317,444 2.219,445 0.404,446 -0.598,447 -0.727,449 -1.586,450 -0.596,451 11.919,452 0.477,453 0.572,454 0.023,455 24.75,456 0.99,457 9.5,458 0.38,459 15.25,460 0.61,461 28.564,462 1.143,463 28.881,464 0.535,465 16.708,466 0.668,467 4.191,468 0.168,469 7.91,470 0.316,471 0.178,473 0.369,477 1,479 0.605,480 1.233,481 0.922,482 1.208,483 0.512,484 1.126,485 0.686,486 1.069,487 0.877,488 1.037,489 0.504,490 0.986,491 0.871,492 0.94,493 0.866,494 0.913,495 0.782,496 0.888,497 1.033,498 1.087,499 1.024,500 1.054,501 0.995,502 1.04,503 0.844,504 1.142,505 1.033,506 1.172,507 0.832,508 1.139,509 0.881,510 0.978,511 0.988,512 1.011,513 0.869,514 1.014,515 0.811,516 0.862,517 0.96,518 0.957,519 0.907,520 0.981,521 0.978,522 1,523 1.02,524 1.019,525 0.976,526 1.024,527 4.5,528 0.033,529 3.333,530 1.653,531 1.904,532 1.024,533 0.72,534 0.51,535 0.297,536 0.201,537 5824,538 12311,539 2.015,540 53.7,541 11,542 6,543 1,545 1,546 2,547 8,550 1.688,551 1.852,552 3.12,553 -0.396,559 75.644,560 1.401,561 3.116,562 4.393,563 4.824,564 4.824,565 4.824,566 2.504,567 4.244,568 4.612,569 3.239,570 971.704,571 8.023,572 11376.5,577 310.764,578 1.516,579 4.555,580 0.167,581 0.004,582 0.088,583 0.038,584 0.043,585 0.026,586 0.021,587 0.019,588 0.013,589 0.013,590 0.433,591 0.5,592 1,593 1.57,594 117.729,595 -0.004,596 -0.077,597 0.045,598 -0.01,599 -0.008,600 0.018,601 0.001,602 -0.036,603 0.088,604 0.034,605 0.042,606 0.069,607 0.042,608 0.066,609 0.121,610 0.097,611 0.055,612 0.117,613 -0.025,614 -0.044,615 -0.026,616 -0.023,617 -0.002,618 -0.025,619 -0.021,620 -0.137,621 -0.073,622 -0.142,623 -0.024,624 -0.12,625 0.081,626 -0.014,627 -0.013,628 -0.045,629 0.086,630 -0.043,631 0.059,632 0.03,633 -0.003,634 -0.002,635 -0.02,636 -0.013,637 -0.049,638 -0.056,639 -0.052,640 -0.062,641 -0.056,642 -0.057,643 1.902,644 6.499,645 0.52,646 20.208,647 0.989,648 1.136,649 4.075,650 16.609,651 0.631,652 3.332,653 3.664,654 4.007,655 4.331,656 4.605,657 4.779,658 4.934,659 5.094,660 5.142,661 5.1,662 5.335,663 0.584,664 344.52,665 3.332,666 4.875,667 5.753,668 6.658,669 7.566,670 8.484,671 9.403,672 10.327,673 11.252,674 12.179,675 3.7,678 1,683 1,687 2,688 2,690 1,693 4,695 10,700 1,713 1,714 54,716 11,717 1,718 27,720 56,721 21,722 8,723 5,724 1,725 1,730 3,731 6,736 3,740 4,743 7,745 9,746 12,750 1,755 1,759 1,762 1,764 29,765 3,766 1,767 4,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,825 1,827 25,833 8,837 1,838 1,846 1,847 1.9,850 1,854 13.5,855 10.51,856 5.778,857 4.073,858 2.221,859 1.301,860 0.965,861 5.708,862 9.603,863 3.526,864 4.115,865 4.768,866 5.416,867 5.97,868 6.412,869 6.774,870 7.177,871 7.324,872 7.449,873 0.833,874 43,875 9.388,877 4.005,878 7.68,879 18.427,881 15.558,883 2.18,884 54.5,888 329.591,889 92.946,890 19.91,892 25.145,893 14.96,895 92.946,896 354.736,897 34.87,898 26.476,899 19.419,900 18.524,901 30.278,902 41.161,903 28.875,904 317.82,906 329.591,907 112.856,908 40.105,911 250.382,912 119.314,915 65.804,916 47.052,919 344.551,920 45.055,921 92.946,924 329.591,925 47.947,926 48.124,927 16.786,928 40.105,929 329.591,930 60.015,931 92.946,933 0.568,934 0.354,935 0.206,936 0.119,937 18,938 9,939 0.125,940 7,941 2,942 1.308,943 3.481,944 214.442,945 0.308,946 13,947 110.096,951 18.29,952 7.803,953 3.428,954 1.327,955 43.229,956 3.369,958 3.007,961 2.689,963 16.786,964 482.552,965 33,970 12.353,974 0.083,975 53.414,976 61.359,977 0.243,978 0.542,979 0.763,980 0.838,981 0.838,982 0.838,983 4.783,984 1.247,985 5.753,986 3.424,987 4.344,988 4.8,989 1.653,990 6.635,991 4.3,992 5.986,993 0.959,994 7.356,995 2.52,996 4.007,997 4.783,998 0.325,999 7.689,1000 3.943,1001 7.315,1002 0.828,1003 9.063,1004 2.161,1005 5.994,1006 7.065,1007 1.915,1008 10.845,1009 5.913,1010 8.687,1011 0.663,1012 10.831,1013 2.117,1014 6.509,1015 7.945,1016 0.268,1017 12.733,1018 6.414,1019 10.098,1020 0.17,1021 12.638,1022 1.052,1023 7.965,1024 9.736,1025 2.299,1026 15.423,1027 7.857,1028 11.537,1029 -0.051,1030 14.47,1031 0.232,1032 8.854,1033 11.003,1034 0.188,1035 17.656,1036 8.736,1037 12.997,1038 -0.445,1039 16.321,1040 -0.123,1041 10.121,1042 12.633,1043 2.732,1044 20.202,1045 9.993,1046 3.346,1047 -0.598,1048 18.187,1049 -0.632,1050 11.176,1051 14.067,1052 0.125,1053 22.584,1054 11.041,1055 2.858,1056 12.148,1057 20.064,1058 -1.586,1059 12.381,1060 15.643,1061 3.189,1062 25.087,1063 12.237,1064 2.608,1065 9.254,1066 21.951,1067 4.737,1068 13.51,1069 17.148,1070 0.082,1071 27.534,1072 13.359,1073 2.383,1074 8.42,1075 23.847,1076 3.451,1077 14.698,1078 18.707,1079 3.66,1080 30.026,1081 14.54,1082 1.95,1083 7.874,1084 25.749,1085 3.267,1086 15.862,1087 20.241,1088 0.054,1089 32.5,1090 15.696,1091 1.624,1092 5.832,1093 27.658,1094 2.751,1095 17.049,1096 21.796,1097 4.139,1098 34.993,1099 16.876,1100 1.35,1101 4.316,1102 29.572,1103 2.564,1104 18.23,1105 23.342,1106 0.035,1107 37.479,1108 18.05,1109 5930,1110 8816,1111 17.512,1112 34.063,1113 40.317,1114 41.829,1115 43.291,1116 40.102,1117 39.974,1118 49.128,1119 4.155,1120 118.703,1121 39.037,1122 5.711,1123 5.668,1124 6.856,1125 5.352,1126 5.346,1127 7.737,1128 2.555,1129 19.665,1130 5.311,1131 14.246,1132 1.493,1133 1.549,1134 1.603,1135 1.485,1136 1.481,1137 1.82,1138 0.154,1139 4.396,1140 1.446,1141 4.175,1142 4.203,1143 4.144,1144 4.097,1145 8.201,1146 4.105,1147 3.826,1148 3.89,1149 3.718,1150 3.674,1151 7.427,1152 3.677,1153 3.653,1154 3.707,1155 3.537,1156 3.516,1157 4.868,1158 3.51,1159 3.528,1160 3.594,1161 3.383,1162 3.366,1163 4.382,1164 3.359,1165 3.501,1166 3.586,1167 3.279,1168 3.348,1169 4.21,1170 3.32,1171 3.288,1172 3.353,1173 3.159,1174 3.145,1175 4.04,1176 3.136,1177 3.057,1178 3.151,1179 2.876,1180 2.876,1181 3.987,1182 2.856,1183 3.024,1184 3.11,1185 2.837,1186 2.82,1187 3.837,1188 2.82,1189 0.176,1190 0.136,1191 0.261,1192 0.161,1193 0.124,1194 4.765,1195 0.175,1196 3.668,1197 0.047,1198 7.054,1199 0.45,1200 4.335,1201 0.123,1202 3.346,1203 4.737,1204 1.277,1205 12.148,1206 3.311,1207 2.029,1208 2.008,1209 2.131,1210 2.117,1211 1.479,1212 2.123,1213 1.741,1214 1.681,1215 1.962,1216 1.927,1217 1.233,1218 1.939,1219 1.663,1220 1.621,1221 1.876,1222 1.848,1223 1.09,1224 1.851,1225 1.539,1226 1.465,1227 1.861,1228 1.738,1229 1.067,1230 1.785,1231 1.527,1232 1.459,1233 1.72,1234 1.724,1235 0.951,1236 1.735,1237 1.349,1238 1.276,1239 1.581,1240 1.544,1241 0.772,1242 1.568,1243 1.175,1244 1.099,1245 1.484,1246 1.394,1247 0.632,1248 1.431,1249 0.985,1250 0.884,1251 1.364,1252 1.247,1253 0.545,1254 1.291,1255 4.007,1257 5.333,1258 2.398,1259 6.874,1260 4.727,1261 8.525,1262 6.88,1263 10.238,1265 6.3,1267 14.499,1271 7.81,1275 0.487,1276 2.575,1280 31.516,1281 75.644,1282 168.288,1283 237.215,1284 260.499,1285 260.499,1286 260.499,1287 56.184,1288 7.382,1289 36.1,1290 36.1,1291 17,1292 12.684,1293 3.585,1294 2.807,1295 41.401,1296 78,1297 84,1298 0.267,1299 194.175,1300 336.64,1301 465.548,1302 13893,1303 1.9,1304 17.974,1305 0.719,1306 0.625,1307 17.104,1308 15.622,1309 12.1,1310 0.448,1311 0.359,1312 9.6,1313 11.755,1314 9.302,1315 7.774,1316 11.689,1317 9.687,1318 10.415,1319 0.274,1320 0.188,1321 9.876,1322 7.158,1323 9.171,1324 0.17,1325 0.101,1326 8.761,1327 5.456,1328 7.857,1329 0.105,1330 0.057,1331 7.457,1332 4.287,1333 6.531,1334 0.066,1335 0.032,1336 6.182,1337 3.214,1338 0.401,1339 75.073,1340 0.239,1341 23.554,1342 0.787,1343 130,1344 355.825,1345 140.07,1346 320.366,1347 435.72,1348 300,1349 157,1350 318.406,1351 167.578,1352 316.917,1353 472.69,1354 301,1355 7.444} {0 CHEMBL71033,1 1.273,2 5.714,3 2.319,4 5.377,5 59.152,6 6.277,7 0.4,8 3.461,9 3.606,10 2.892,11 3.018,12 4.407,13 2.954,14 4.008,15 4.231,16 3.192,17 3.385,18 4.865,19 3.289,20 4.151,21 4.388,22 3.082,23 3.465,24 4.962,25 3.324,26 4.174,27 4.418,28 2.959,29 3.437,30 4.915,31 3.253,32 4.264,33 4.58,34 2.899,35 3.301,36 4.978,37 3.105,38 4.028,39 4.344,40 2.647,41 3.067,42 4.787,43 2.908,44 3.77,45 4.054,46 1.796,47 2.845,48 4.363,49 2.537,50 3.581,51 4.032,52 0.553,53 2.088,54 3.807,55 1.583,56 0.038,57 0.433,58 7.159,59 2.829,60 5.1,61 4.178,62 0.111,63 0.689,64 12.528,65 4.634,66 10.487,67 6.943,68 0.11,69 0.758,70 14.393,71 5.326,72 13.275,73 8.016,74 0.067,75 0.742,76 14.416,77 5.997,78 10.37,79 8.754,80 0.098,81 0.745,82 15.857,83 5.686,84 17.084,85 8.756,86 0.154,87 0.61,88 12.946,89 3.511,90 15.799,91 5.917,92 0.051,93 0.44,94 9.467,95 3.916,96 7.31,97 5.724,98 0.052,99 0.259,100 7.602,101 2.863,102 6.925,103 4.346,104 5,105 20,106 0.248,107 0.571,108 0.747,109 0.765,110 0.765,111 0.765,112 2.733,113 1.019,114 -3.8,115 -3.76,116 -3.57,119 40,120 2,121 1,125 2,140 3,141 3,156 1,169 9,172 1,174 1,176 1,178 12,182 1,186 1,189 11,193 2,197 2,199 4,203 4,208 4,215 1,220 1,259 182,260 9.414,261 9.414,262 9.414,263 9.414,264 9.414,265 8.273,266 11.35,267 5.671,268 9.55,269 7.395,270 7.395,271 7.395,272 7.395,273 7.395,274 5.771,275 12.366,276 2.688,277 7.61,278 3.634,279 1.976,280 1.075,281 0.984,282 0.984,283 0.984,284 3.373,288 1,289 1,290 167,291 1.732,294 35.31,295 43.995,302 0.796,303 5.991,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 29,315 80,316 4.347,317 3.328,318 6.412,319 3.987,320 2.991,321 3.997,322 1.505,323 9.752,324 2.98,325 3.814,326 2.942,327 5.325,328 3.399,329 2.463,330 3.081,331 0.368,332 6.885,333 2.302,334 3.232,335 2.147,336 4.841,337 2.879,338 1.879,339 2.481,340 0.265,341 5.104,342 1.879,343 2.888,344 1.727,345 4,346 2.482,347 1.492,348 2.048,350 3.494,351 1.477,352 2.254,353 1.35,354 3.425,355 2.123,356 1.151,357 1.232,359 2.517,360 1.117,361 1.794,362 1.094,363 3,364 1.518,365 0.618,366 0.669,368 1.372,369 0.556,370 1.51,371 0.825,372 2.831,373 1.347,374 0.359,375 0.4,377 0.855,378 0.354,379 1,380 -0.11,381 2.352,382 0.653,383 -0.347,384 -0.445,386 -0.757,387 -0.347,388 0.521,389 -0.229,390 2.127,391 0.289,392 -0.695,393 -0.772,395 -1.841,396 -0.684,397 0.045,398 -0.969,399 1.353,400 -0.247,401 -1.246,402 -1.498,404 -3.049,405 -1.245,406 -0.232,407 -1.056,408 1.32,409 -0.532,410 -1.532,411 -1.726,413 -3.731,414 -1.456,415 -0.301,416 -1.324,417 1.174,418 -0.579,419 -1.546,420 -2.026,422 -3.788,423 -1.488,424 -0.474,425 -1.357,426 1,427 -0.718,428 -1.618,429 -2.036,430 -0.199,431 -4.372,432 -1.532,433 -0.5,434 -1.549,435 0.454,436 -1,437 -1.969,438 -2.405,439 -0.795,440 -5.883,441 -1.914,442 -0.898,443 -2,444 0.387,445 -1.002,446 -2,447 -3,448 -1.145,449 -6.559,450 -2,451 6.8,452 0.486,453 0.315,454 0.023,455 16,456 1.143,457 7.5,458 0.536,459 8.5,460 0.607,461 10.392,462 0.742,463 15.4,464 0.513,465 8.348,466 0.596,467 3.262,468 0.233,469 3.509,470 0.251,471 0.147,473 0.294,479 1.011,480 1.322,481 0.977,482 1.133,483 1.053,484 1.066,485 1.042,486 0.987,487 0.923,488 0.926,489 0.971,490 0.917,491 1.417,492 0.984,493 1.22,494 1.061,495 1.385,496 1.115,497 0.57,498 1.325,499 1.152,500 1.371,501 0.774,502 1.318,503 0.653,504 1.124,505 0.774,506 0.969,507 0.644,508 0.896,509 2.388,510 0.62,511 1.158,512 0.612,513 1.881,514 0.759,515 0.718,516 1.319,517 1.457,518 1.565,519 1.061,520 1.568,521 0.081,522 0.274,523 0.282,524 0.325,525 0.198,526 0.32,527 2.5,529 1.556,530 0.91,531 0.728,532 0.18,533 0.18,534 0.015,537 1284,538 2514,539 2.034,540 53.3,541 6,542 7,545 1,546 2,550 1.51,551 1.909,552 2.586,553 -0.305,557 1,559 38.187,560 1.273,561 2.931,562 3.831,563 3.923,564 3.923,565 3.923,566 1.877,567 2.896,568 3.785,569 2.649,570 241.053,571 6.313,572 1900.16,574 1,577 147.207,578 1.379,579 3.74,580 0.167,582 0.078,583 0.054,584 0.052,585 0.014,586 0.018,587 0.007,590 0.389,591 1,592 1,593 0.673,594 52.432,595 0.009,596 -0.1,597 0.046,598 -0.015,599 -0.068,600 0.012,601 0.13,602 0.121,603 0.087,604 0.093,605 0.067,606 0.088,607 -0.3,608 0.093,609 -0.229,610 -0.059,611 -0.32,612 -0.125,613 0.011,614 -0.347,615 -0.214,616 -0.33,617 -0.029,618 -0.296,619 0.22,620 -0.248,621 0.176,622 -0.037,623 0.304,624 0.048,625 -0.485,626 0.403,627 -0.124,628 0.213,629 -0.378,630 0.097,631 -0.192,632 -0.429,633 -0.55,634 -0.576,635 -0.338,636 -0.589,637 0.353,638 0.302,639 0.59,640 0.508,641 0.442,642 0.557,643 0.569,644 1.419,645 0.786,646 6.429,647 0.98,648 1.13,649 2.567,650 6.588,651 0.645,652 2.773,653 3.045,654 3.258,655 3.434,656 3.434,657 3.332,658 3.219,659 3.135,660 2.833,661 2.565,662 3.714,663 0.591,664 188.3,665 2.773,666 4.263,667 5.081,668 5.927,669 6.763,670 7.612,671 8.453,672 9.304,673 10.147,674 10.997,675 6.7,677 1,684 1,688 3,693 3,695 6,714 30,716 7,717 1,718 15,720 31,721 12,722 6,723 3,724 3,730 2,731 2,736 2,743 1,745 7,746 5,750 1,758 1,759 1,761 1,764 16,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 2,827 14,833 3,834 1,854 7.333,855 5.95,856 3.139,857 1.851,858 1.478,859 1.268,860 0.969,861 2.643,862 6.992,863 2.996,864 3.541,865 4.003,866 4.447,867 4.797,868 4.758,869 4.732,870 4.904,871 4.961,872 4.808,873 0.75,874 17,875 5.174,876 0.002,877 2.072,878 7.405,879 10.293,880 0.001,881 8.247,882 -0.001,883 1.905,884 26.667,885 0.013,888 176.567,889 64.71,890 34.796,895 64.71,896 176.567,897 34.796,898 17.65,899 6.746,900 46.439,901 2.328,902 26.342,904 176.567,906 176.567,907 99.506,911 176.567,915 59.193,916 40.313,919 176.567,920 34.796,921 64.71,924 176.567,925 18.631,926 46.079,927 18.011,928 16.786,929 176.567,930 34.796,931 64.71,933 0.573,934 0.333,935 0.174,936 0.078,937 10,938 4,939 0.065,940 2,942 1,943 2.654,944 85.734,946 11,947 43.303,951 9.414,952 3.931,953 2.041,955 34.796,956 6.438,961 4.142,963 18.011,964 276.073,965 19,973 4.419,974 1.141,975 29.389,976 33.903,977 0.259,978 0.597,979 0.781,980 0.8,981 0.8,982 0.8,983 4.197,984 -0.347,985 5.043,986 0.855,987 3.714,988 4.22,989 1.696,990 5.796,991 3.665,992 5.381,993 -0.695,994 6.569,995 -0.757,996 3.219,997 3.98,998 0.904,999 6.605,1000 3.172,1001 6.674,1002 -1.246,1003 8.201,1004 -1.841,1005 5.242,1006 6.341,1007 2.113,1008 9.685,1009 5.158,1010 8.006,1011 -1.532,1012 9.894,1013 -3.049,1014 5.602,1015 6.924,1016 1.864,1017 11.353,1018 5.521,1019 9.369,1020 -1.546,1021 11.629,1022 -3.731,1023 7.064,1024 8.756,1025 2.717,1026 13.93,1027 6.963,1028 10.753,1029 -1.618,1030 13.393,1031 -3.788,1032 7.816,1033 9.722,1034 2.755,1035 15.944,1036 7.721,1037 12.153,1038 -1.969,1039 15.176,1040 -4.372,1041 9.054,1042 11.332,1043 3.416,1044 18.342,1045 8.95,1046 2.991,1047 -2,1048 16.976,1049 -5.883,1050 9.986,1051 12.492,1052 3.615,1053 20.504,1054 9.889,1055 2.463,1056 9.752,1057 18.786,1058 -6.559,1059 11.133,1060 13.996,1061 4.169,1062 22.831,1063 11.033,1064 1.879,1065 6.885,1066 20.606,1067 3.997,1068 12.148,1069 15.257,1070 4.458,1071 25.058,1072 12.054,1073 1.492,1074 5.104,1075 22.434,1076 3.081,1077 13.26,1078 16.707,1079 4.951,1080 27.356,1081 13.165,1082 1.151,1083 3.494,1084 24.267,1085 2.481,1086 14.314,1087 18.024,1088 5.291,1089 29.611,1090 14.224,1091 0.618,1092 2.517,1093 26.105,1094 2.048,1095 15.412,1096 19.444,1097 5.749,1098 31.897,1099 15.322,1100 0.359,1101 1.372,1102 27.946,1103 1.232,1104 16.486,1105 20.792,1106 6.119,1107 34.165,1108 16.398,1109 1326,1110 1903,1111 9.94,1112 19.341,1113 21.942,1114 22.329,1115 22.332,1116 21.846,1117 21.909,1118 27.818,1119 4.277,1120 59.961,1121 21.332,1122 5.244,1123 5.328,1124 6.025,1125 4.989,1126 4.991,1127 6.997,1128 2.65,1129 16.311,1130 4.98,1131 5.593,1132 1.463,1133 1.489,1134 1.489,1135 1.456,1136 1.461,1137 1.855,1138 0.285,1139 3.997,1140 1.422,1141 3.985,1142 4.021,1143 3.92,1144 3.925,1145 4.791,1146 3.919,1147 3.75,1148 3.82,1149 3.656,1150 3.552,1151 4.653,1152 3.569,1153 3.266,1154 3.35,1155 3.067,1156 3.125,1157 3.966,1158 3.101,1159 3.149,1160 3.22,1161 2.979,1162 3.027,1163 3.818,1164 3.006,1165 2.988,1166 3.096,1167 2.717,1168 2.795,1169 3.557,1170 2.762,1171 2.551,1172 2.699,1173 2.302,1174 2.229,1175 3.44,1176 2.204,1177 2.429,1178 2.537,1179 2.207,1180 2.212,1181 3.085,1182 2.191,1183 2.417,1184 2.516,1185 2.136,1186 2.186,1187 3.04,1188 2.184,1189 0.29,1190 0.222,1191 0.427,1192 0.266,1193 0.199,1194 4.347,1195 0.266,1196 3.328,1197 0.1,1198 6.412,1199 0.65,1200 3.987,1201 0.199,1202 2.991,1203 3.997,1204 1.505,1205 9.752,1206 2.98,1207 1.962,1208 1.937,1209 2.082,1210 2.037,1211 1.266,1212 2.053,1213 1.45,1214 1.376,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.419,1220 1.345,1221 1.639,1222 1.645,1223 0.782,1224 1.637,1225 1.303,1226 1.226,1227 1.611,1228 1.507,1229 0.719,1230 1.557,1231 1.081,1232 0.993,1233 1.448,1234 1.31,1235 0.492,1236 1.362,1237 0.754,1238 0.644,1239 1.108,1240 1.061,1241 0.221,1242 1.091,1243 0.477,1244 0.374,1245 0.879,1246 0.726,1248 0.784,1249 0.183,1250 0.073,1251 0.613,1252 0.455,1254 0.521,1255 3.434,1257 4.71,1258 2.398,1259 6.176,1260 4.443,1261 7.735,1262 6.26,1263 9.342,1265 4.329,1271 2.888,1272 3.31,1280 17.73,1281 38.187,1282 87.923,1283 114.942,1284 117.697,1285 117.697,1286 117.697,1287 13.627,1288 5.513,1289 24.39,1290 24.39,1291 11,1292 11.556,1293 3,1294 2.322,1295 21.26,1296 30,1297 24,1298 0.357,1299 112.971,1300 191.98,1301 267.409,1302 1306,1304 9.966,1305 0.712,1306 0.629,1307 9.966,1308 8.801,1309 6.771,1310 0.451,1311 0.34,1312 5.056,1313 6.63,1314 4.823,1315 4.052,1316 6.771,1317 5.095,1318 5.936,1319 0.297,1320 0.19,1321 5.936,1322 3.802,1323 4.861,1324 0.194,1325 0.109,1326 4.861,1327 2.732,1328 3.846,1329 0.128,1330 0.062,1331 3.846,1332 1.861,1333 2.439,1334 0.081,1335 0.033,1336 2.439,1337 0.996,1338 0.527,1339 41.533,1340 0.317,1341 14.07,1342 1.071,1343 70,1344 151.978,1345 73.497,1346 153.563,1347 215.76,1348 146,1349 80,1350 159.803,1351 83.358,1352 165.867,1353 238,1354 156,1355 5.656} {0 CHEMBL71091,1 1.315,2 7.905,3 3.519,4 12.383,5 87.226,6 6.095,7 0.261,8 3.907,9 4.05,10 3.309,11 3.445,12 4.781,13 3.377,14 4.526,15 4.743,16 3.668,17 3.878,18 5.33,19 3.775,20 4.822,21 5.077,22 3.725,23 4.044,24 5.583,25 3.91,26 4.882,27 5.143,28 3.686,29 4.107,30 5.554,31 3.942,32 4.988,33 5.27,34 3.611,35 4.117,36 5.654,37 3.916,38 4.999,39 5.317,40 3.44,41 4.006,42 5.637,43 3.781,44 4.808,45 5.126,46 3.243,47 3.816,48 5.488,49 3.588,50 4.537,51 4.844,52 3.015,53 3.57,54 5.25,55 3.354,56 0.054,57 0.672,58 11.645,59 4.71,60 5.859,61 6.869,62 0.187,63 1.129,64 21.463,65 7.978,66 15.778,67 11.977,68 0.243,69 1.397,70 28.565,71 10.122,72 25.413,73 15.291,74 0.195,75 1.475,76 29.797,77 11.492,78 18.898,79 17.077,80 0.198,81 1.534,82 32.689,83 12.84,84 23.833,85 18.873,86 0.286,87 1.458,88 32.895,89 12.062,90 29.424,91 18.045,92 0.269,93 1.183,94 27.114,95 10.055,96 28.649,97 14.958,98 0.165,99 0.918,100 20.734,101 7.642,102 19.549,103 11.373,104 19,105 32,106 0.23,107 0.511,108 0.758,109 0.801,110 0.801,111 0.801,112 3.104,113 1.096,114 -4.34,115 -4.28,116 -4.04,119 38.3,120 2,121 6,125 2,127 1,140 2,141 3,142 1,156 1,169 10,172 5,174 1,176 3,178 11,182 5,186 2,189 11,193 4,197 2,199 10,203 5,208 1,211 11,215 2,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 6,249 2,254 2,256 2,259 512,260 14.464,261 14.464,262 14.464,263 14.464,264 14.464,265 13.557,266 20.572,267 8.692,268 14.599,269 11.311,270 11.311,271 11.311,272 11.311,273 11.311,274 9.826,275 26.735,276 3.967,277 11.542,278 4.24,279 2.629,280 1.213,281 0.968,282 0.968,283 0.968,284 3.785,287 1,288 1,289 1,290 352,291 3.162,294 38.381,295 81.928,298 65.315,299 69.978,302 1.166,303 13.35,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 44,315 166,316 4.527,317 3.711,318 6.74,319 4.199,320 3.208,321 4.196,322 1.987,323 11.043,324 3.18,325 3.901,326 3.286,327 6.137,328 3.763,329 2.812,330 3.14,331 0.8,332 9.048,333 2.681,334 3.685,335 2.988,336 5.755,337 3.447,338 2.466,339 2.766,340 0.324,341 7.816,342 2.406,343 3.276,344 2.492,345 4.841,346 2.885,347 1.863,348 2.456,350 5.261,351 1.892,352 3.096,353 2.031,354 4.738,355 2.766,356 1.774,357 2.288,359 5.073,360 1.757,361 2.653,362 1.73,363 4.421,364 2.583,365 1.604,366 1.657,368 4.291,369 1.567,370 2.247,371 1.371,372 3.805,373 2.237,374 1.247,375 1.247,377 2.497,378 1.233,379 2.04,380 1.298,381 3.25,382 1.935,383 0.936,384 1.001,386 2.117,387 0.934,388 1.783,389 0.88,390 3.247,391 1.689,392 0.712,393 0.738,395 1.533,396 0.694,397 1.624,398 0.686,399 2.83,400 1.481,401 0.507,402 0.56,404 0.941,405 0.493,406 1.012,407 0.579,408 2.543,409 0.707,410 -0.293,411 -0.34,413 -0.632,414 -0.291,415 0.722,416 -0.162,417 2.338,418 0.521,419 -0.445,420 -0.445,422 -0.701,423 -0.428,424 0.555,425 -0.287,426 2.231,427 0.363,428 -0.669,429 -0.749,431 -1.614,432 -0.671,433 0.495,434 -0.451,435 2,436 0.271,437 -0.753,438 -0.973,440 -2.002,441 -0.776,442 0.256,443 -0.799,444 1.869,445 0.003,446 -1,447 -1.16,449 -2.146,450 -1.01,451 10.133,452 0.483,453 0.448,454 0.021,455 21,456 1,457 8,458 0.381,459 13,460 0.619,461 22.172,462 1.056,463 24.067,464 0.512,465 11.726,466 0.558,467 3.46,468 0.165,469 6.764,470 0.322,471 0.132,473 0.336,479 0.748,480 1.404,481 0.994,482 1.216,483 0.555,484 1.136,485 0.745,486 1.186,487 0.969,488 1.066,489 0.488,490 1.034,491 1.194,492 0.995,493 1.034,494 0.945,495 0.952,496 0.964,497 0.708,498 1.073,499 1.046,500 1.095,501 0.407,502 1.092,503 0.625,504 1.139,505 0.992,506 1.157,507 0.617,508 1.117,509 0.796,510 0.886,511 0.91,512 0.922,513 0.806,514 0.926,515 0.776,516 0.847,517 0.889,518 0.893,519 0.925,520 0.903,521 0.921,522 0.958,523 0.971,524 0.994,525 1.006,526 0.989,527 4,529 2.444,530 1.382,531 1.138,532 0.764,533 0.387,534 0.314,535 0.177,536 0.121,537 3910,538 7260,539 2.074,540 55.3,541 8,542 7,545 1,546 2,547 8,550 1.637,551 1.938,552 3.015,553 -0.385,555 1,559 61.796,560 1.315,561 2.926,562 4.341,563 4.586,564 4.586,565 4.586,566 2.453,567 4.107,568 4.362,569 3.119,570 655.053,571 7.501,572 6803.25,574 1,576 1,577 261.066,578 1.418,579 4.322,580 0.174,582 0.076,583 0.042,584 0.037,585 0.028,586 0.018,587 0.017,588 0.013,589 0.015,590 0.42,591 0.67,592 1,593 1.466,594 93.2,595 0.013,596 -0.107,597 0.06,598 -0.011,599 -0.002,600 0.021,601 0.12,602 -0.024,603 0.055,604 0.009,605 0.086,606 0.024,607 -0.112,608 0.076,609 -0.018,610 0.056,611 -0.038,612 0.033,613 -0.042,614 -0.022,615 -0.076,616 -0.065,617 0.036,618 -0.07,619 0.037,620 -0.176,621 -0.048,622 -0.146,623 0.041,624 -0.111,625 0.035,626 0.018,627 0.034,628 0.013,629 -0.015,630 0.021,631 0.087,632 0.042,633 0.053,634 0.046,635 -0.005,636 0.045,637 -0.018,638 -0.044,639 -0.019,640 -0.044,641 -0.032,642 -0.032,643 1.514,644 4.685,645 0.619,646 14.567,647 0.982,648 1.132,649 3.115,650 9.7,651 0.63,652 3.178,653 3.497,654 3.807,655 4.127,656 4.369,657 4.477,658 4.644,659 4.787,660 4.779,661 4.691,662 4.898,663 0.576,664 286.46,665 3.178,666 4.71,667 5.572,668 6.466,669 7.356,670 8.259,671 9.158,672 10.065,673 10.969,674 11.878,675 4.3,678 1,682 1,688 2,693 4,695 6,714 47,716 7,717 1,718 23,720 49,721 18,722 6,723 4,724 2,730 3,731 6,736 2,740 5,743 7,745 7,746 11,750 1,755 1,759 1,760 1,761 1,764 26,765 3,766 1,767 3,773 2,777 0.333,778 1,792 1,793 2,796 1,797 1,805 1,815 1,819 1,823 2,827 21,833 8,834 1,837 1,838 1,847 2.1,850 1,854 10.833,855 8.867,856 4.778,857 3.482,858 1.397,859 1.2,860 0.966,861 4.416,862 8.38,863 3.332,864 3.839,865 4.341,866 4.897,867 5.404,868 5.642,869 5.941,870 6.239,871 6.28,872 6.241,873 1,874 33,875 7.843,877 3.296,878 7.46,879 15.817,881 13.534,883 1.96,884 41.167,885 0.002,887 1,888 294.278,889 73.04,890 21.135,892 25.145,895 73.04,896 319.422,897 21.135,898 17.65,899 37.429,900 18.952,901 29.85,902 15.438,904 294.278,906 294.278,907 94.175,908 25.145,911 200.109,912 119.314,915 58.204,916 35.971,919 294.278,920 46.28,921 73.04,924 294.278,925 36.437,926 39.727,927 18.011,928 25.145,929 294.278,930 46.28,931 73.04,933 0.565,934 0.339,935 0.203,936 0.116,937 16,938 7,939 0.102,940 5,941 2,942 1.308,943 3.268,944 165.032,945 0.308,946 13,947 86.239,951 14.743,952 6.291,953 2.903,955 46.28,956 4.315,961 5.251,963 18.011,964 413.597,965 27,970 11.685,974 0.152,975 46.134,976 53.188,977 0.237,978 0.527,979 0.782,980 0.826,981 0.826,982 0.826,983 4.59,984 0.936,985 5.557,986 2.497,987 4.174,988 4.522,989 2.19,990 6.399,991 4.137,992 5.753,993 0.712,994 7.128,995 2.117,996 3.761,997 4.369,998 1.668,999 7.345,1000 3.705,1001 7.054,1002 0.507,1003 8.803,1004 1.533,1005 5.784,1006 6.599,1007 3.12,1008 10.477,1009 5.704,1010 8.389,1011 -0.293,1012 10.537,1013 0.941,1014 6.217,1015 7.29,1016 3.181,1017 12.263,1018 6.116,1019 9.762,1020 -0.445,1021 12.309,1022 -0.632,1023 7.699,1024 9.043,1025 4.315,1026 14.901,1027 7.584,1028 11.159,1029 -0.669,1030 14.108,1031 -0.701,1032 8.523,1033 10.121,1034 4.656,1035 17.03,1036 8.391,1037 12.575,1038 -0.753,1039 15.926,1040 -1.614,1041 9.791,1042 11.694,1043 5.602,1044 19.502,1045 9.649,1046 3.208,1047 -1,1048 17.758,1049 -2.002,1050 10.793,1051 12.955,1052 6.091,1053 21.778,1054 10.64,1055 2.812,1056 11.043,1057 19.602,1058 -2.146,1059 11.98,1060 14.453,1061 6.927,1062 24.193,1063 11.819,1064 2.466,1065 9.048,1066 21.454,1067 4.196,1068 13.062,1069 15.802,1070 7.501,1071 26.533,1072 12.895,1073 1.863,1074 7.816,1075 23.313,1076 3.14,1077 14.22,1078 17.267,1079 8.273,1080 28.932,1081 14.047,1082 1.774,1083 5.261,1084 25.178,1085 2.766,1086 15.34,1087 18.659,1088 8.894,1089 31.301,1090 15.161,1091 1.604,1092 5.073,1093 27.049,1094 2.456,1095 16.49,1096 20.108,1097 9.631,1098 33.695,1099 16.307,1100 1.247,1101 4.291,1102 28.923,1103 2.288,1104 17.627,1105 21.52,1106 10.279,1107 36.079,1108 17.439,1109 3915,1110 5470,1111 15.315,1112 29.603,1113 34.185,1114 35.293,1115 35.876,1116 34.229,1117 34.254,1118 40.099,1119 6.222,1120 99.239,1121 33.674,1122 5.473,1123 5.711,1124 6.542,1125 5.213,1126 5.208,1127 7.196,1128 3.497,1129 18.294,1130 5.18,1131 9.97,1132 1.486,1133 1.534,1134 1.56,1135 1.488,1136 1.489,1137 1.743,1138 0.271,1139 4.315,1140 1.464,1141 4.074,1142 4.106,1143 4.018,1144 4.003,1145 7.429,1146 4.002,1147 3.785,1148 3.85,1149 3.672,1150 3.62,1151 4.727,1152 3.623,1153 3.589,1154 3.648,1155 3.461,1156 3.437,1157 4.314,1158 3.431,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.069,1164 3.32,1165 3.322,1166 3.374,1167 3.189,1168 3.184,1169 4.04,1170 3.179,1171 3.078,1172 3.164,1173 2.888,1174 2.893,1175 3.863,1176 2.881,1177 3.003,1178 3.096,1179 2.805,1180 2.802,1181 3.624,1182 2.791,1183 2.75,1184 2.847,1185 2.536,1186 2.569,1187 3.481,1188 2.547,1189 0.197,1190 0.161,1191 0.293,1192 0.183,1193 0.139,1194 4.527,1195 0.182,1196 3.711,1197 0.086,1198 6.74,1199 0.48,1200 4.199,1201 0.138,1202 3.208,1203 4.196,1204 1.987,1205 11.043,1206 3.18,1207 2.004,1208 1.977,1209 2.127,1210 2.095,1211 1.474,1212 2.109,1213 1.729,1214 1.664,1215 1.961,1216 1.908,1217 1.231,1218 1.928,1219 1.539,1220 1.459,1221 1.861,1222 1.738,1223 1.09,1224 1.785,1225 1.495,1226 1.435,1227 1.726,1228 1.678,1229 1.008,1230 1.683,1231 1.42,1232 1.381,1233 1.605,1234 1.644,1235 0.792,1236 1.641,1237 1.156,1238 1.081,1239 1.469,1240 1.387,1241 0.686,1242 1.423,1243 0.991,1244 0.892,1245 1.369,1246 1.248,1247 0.555,1248 1.295,1249 0.83,1250 0.751,1251 1.24,1252 1.076,1253 0.403,1254 1.131,1255 3.85,1257 5.165,1258 2.398,1259 6.688,1260 4.727,1261 8.318,1262 6.823,1263 10.005,1265 4.527,1271 8.936,1272 2.989,1275 0.652,1276 2.659,1280 27.079,1281 61.796,1282 137.514,1283 204.046,1284 215.556,1285 215.556,1286 215.556,1287 31.451,1288 6.983,1289 32.34,1290 32.34,1291 17,1292 12.395,1293 3,1294 2.322,1295 32.01,1296 62,1297 60,1298 0.266,1299 167.128,1300 292.21,1301 399.551,1302 8629,1304 14.82,1305 0.706,1306 0.631,1307 14.82,1308 13.244,1309 10.224,1310 0.445,1311 0.365,1312 8.34,1313 9.988,1314 8.085,1315 6.742,1316 10.224,1317 8.4,1318 8.912,1319 0.279,1320 0.2,1321 8.912,1322 6.387,1323 7.518,1324 0.171,1325 0.111,1326 7.518,1327 4.864,1328 6.7,1329 0.11,1330 0.064,1331 6.7,1332 3.927,1333 5.542,1334 0.071,1335 0.038,1336 5.542,1337 2.925,1338 0.401,1339 62.904,1340 0.256,1341 20.372,1342 0.777,1343 110,1344 235.714,1345 116.683,1346 231.045,1347 322.32,1348 218,1349 131,1350 240.355,1351 137.49,1352 244.107,1353 360.94,1354 232,1355 7.585} {0 CHEMBL71145,1 1.315,2 8.875,3 5.522,4 30.494,5 105.29,6 6.771,7 0.556,8 3.981,9 4.112,10 3.537,11 3.616,12 4.862,13 3.525,14 4.567,15 4.76,16 3.885,17 4.046,18 5.346,19 3.92,20 4.843,21 5.089,22 3.813,23 4.155,24 5.511,25 3.99,26 4.915,27 5.163,28 3.791,29 4.198,30 5.56,31 4.018,32 5.027,33 5.314,34 3.754,35 4.207,36 5.61,37 3.993,38 4.997,39 5.294,40 3.777,41 4.183,42 5.589,43 3.958,44 4.878,45 5.146,46 3.726,47 4.151,48 5.532,49 3.92,50 4.77,51 5.036,52 3.515,53 4.018,54 5.463,55 3.777,56 0.061,57 0.707,58 12.478,59 5.22,60 7.957,61 7.191,62 0.139,63 1.234,64 23.778,65 9.259,66 13.438,67 12.687,68 0.198,69 1.549,70 32.269,71 12.172,72 17.108,73 16.68,74 0.191,75 1.629,76 32.965,77 12.969,78 16.814,79 18.296,80 0.189,81 1.746,82 36.138,83 14.729,84 19.126,85 20.647,86 0.239,87 1.719,88 38.551,89 14.912,90 20.499,91 20.063,92 0.177,93 1.554,94 36.466,95 14.242,96 19.48,97 18.429,98 0.154,99 1.385,100 31.874,101 12.594,102 20.631,103 16.5,104 4,105 37,106 0.222,107 0.558,108 0.785,109 0.883,110 0.89,111 0.89,112 3.229,113 1.119,114 -5.02,115 -4.92,116 -4.61,119 42,120 1,121 5,125 2,127 1,140 5,141 3,149 2,150 2,169 10,172 4,176 3,178 15,182 3,186 2,189 12,193 4,197 2,199 10,203 3,208 1,211 8,215 1,218 1,220 1,222 12,233 15,242 2,244 11,254 1,256 7,259 820,260 16.87,261 16.87,262 16.87,263 16.87,264 16.87,265 15.091,266 15.362,267 10.159,268 17.256,269 13.329,270 13.329,271 13.329,272 13.329,273 13.329,274 10.681,275 16.426,276 4.742,277 13.959,278 4.329,279 2.341,280 0.997,281 0.415,282 0.375,283 0.375,284 3.931,288 1,289 1,290 474,291 3.162,294 114.187,295 99.913,298 81.446,299 85.223,302 1.396,303 7.052,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49,315 213,316 4.593,317 3.342,318 6.722,319 4.174,320 3.183,321 4.525,322 0.8,323 10.959,324 3.154,325 3.95,326 3.025,327 6.132,328 3.744,329 2.8,330 3.48,332 9.022,333 2.646,334 3.88,335 2.706,336 5.695,337 3.442,338 2.525,339 3.291,341 7.559,342 2.334,343 3.649,344 2.524,345 5.349,346 3.321,347 2.356,348 2.755,350 6.981,351 2.238,352 3.183,353 1.966,354 4.769,355 2.765,356 1.775,357 2.476,359 5.063,360 1.755,361 2.731,362 1.681,363 4.411,364 2.569,365 1.597,366 1.78,368 4.274,369 1.549,370 2.644,371 1.435,372 3.79,373 2.288,374 1.323,375 1.705,377 2.858,378 1.269,379 2.571,380 1.315,381 3.521,382 2.205,383 1.224,384 1.581,386 2.779,387 1.199,388 2.118,389 1.054,390 3.427,391 1.94,392 0.972,393 1.049,395 2.058,396 0.934,397 2.099,398 0.914,399 3.182,400 1.796,401 0.823,402 0.992,404 1.813,405 0.799,406 2.066,407 0.63,408 3.104,409 1.545,410 0.618,411 0.927,413 1.401,414 0.555,415 1.936,416 0.618,417 3,418 1.464,419 0.573,420 0.78,422 1.372,423 0.507,424 1.398,425 0.361,426 2.784,427 1.236,428 0.275,429 0.303,431 0.558,432 0.262,433 0.878,434 -0.196,435 2.507,436 0.627,437 -0.357,438 -0.407,440 -0.784,441 -0.351,442 0.632,443 -0.429,444 2.31,445 0.315,446 -0.659,447 -0.708,449 -1.359,450 -0.634,451 12.133,452 0.506,453 0.41,454 0.017,455 26.75,456 1.115,457 12,458 0.5,459 14.75,460 0.615,461 24.457,462 1.019,463 25.667,464 0.513,465 14.63,466 0.61,467 4.625,468 0.193,469 7.223,470 0.301,471 0.041,473 0.28,479 1.046,480 1.171,481 0.851,482 0.954,483 0.938,484 0.979,485 1.358,486 1.09,487 0.973,488 0.964,489 0.91,490 0.987,491 1.397,492 1.018,493 1.079,494 1.008,495 0.899,496 1.001,497 1.018,498 1.133,499 0.964,500 1.068,501 0.92,502 1.123,503 0.762,504 1.017,505 0.756,506 0.902,507 0.812,508 0.996,509 0.901,510 0.831,511 0.909,512 0.873,513 0.827,514 0.876,515 0.921,516 0.985,517 1.237,518 1.137,519 1.063,520 1.045,521 0.918,522 1.094,523 1.26,524 1.219,525 1.3,526 1.163,527 3.5,528 0.035,529 2.667,530 0.91,531 1.023,532 0.691,533 0.376,534 0.253,535 0.225,536 0.122,537 6599,538 13016,539 2.187,540 52,541 5,542 10,543 2,545 1,546 2,547 6,550 1.672,551 2.118,552 3.169,553 -0.424,559 65.743,560 1.315,561 3.302,562 4.646,563 5.229,564 5.269,565 5.269,566 2.534,567 4.335,568 4.557,569 3.338,570 921.175,571 7.88,572 10795.7,577 282.193,578 1.099,579 4.546,580 0.13,581 0.003,582 0.072,583 0.026,584 0.031,585 0.023,586 0.013,587 0.009,588 0.01,589 0.008,590 0.324,591 0.5,592 1,593 0.764,594 113.237,595 0.064,596 -0.04,597 0.09,598 0.047,599 0.107,600 0.046,601 -0.068,602 0.003,603 0.01,604 0.021,605 0.039,606 0.003,607 -0.152,608 0.013,609 -0.107,610 -0.046,611 -0.032,612 -0.031,613 -0.054,614 -0.152,615 -0.119,616 -0.158,617 -0.096,618 -0.151,619 0.063,620 -0.098,621 0.036,622 -0.025,623 0.007,624 -0.035,625 0.08,626 0.119,627 0.071,628 0.096,629 0.056,630 0.093,631 -0.082,632 -0.005,633 -0.088,634 -0.05,635 -0.102,636 -0.039,637 -0.113,638 -0.125,639 -0.174,640 -0.165,641 -0.192,642 -0.163,643 0.641,644 0.87,645 0.75,646 19.319,647 0.978,648 1.118,649 3.791,650 14.37,651 0.676,652 3.332,653 3.638,654 3.951,655 4.234,656 4.407,657 4.554,658 4.718,659 4.852,660 4.898,661 4.89,662 5.663,663 0.611,664 338.56,665 3.332,666 4.86,667 5.72,668 6.597,669 7.476,670 8.361,671 9.248,672 10.138,673 11.03,674 11.923,675 4,678 1,683 1,687 2,688 7,690 1,692 1,693 3,695 15,714 50,716 15,717 1,718 27,720 53,721 21,722 12,723 4,724 2,730 4,731 7,736 1,740 4,743 6,745 12,746 9,764 26,765 1,766 1,767 3,768 1,773 2,777 0.5,788 1,792 2,793 2,796 1,797 1,815 1,819 2,821 1,823 1,827 24,833 7,837 1,838 1,842 1,854 11.333,855 9.033,856 5.361,857 3.433,858 2.657,859 1.361,860 1.016,861 4.93,862 10.017,863 3.57,864 4.151,865 4.758,866 5.346,867 5.709,868 6.064,869 6.432,870 6.789,871 6.794,872 6.964,873 0.833,874 35,875 8.924,877 3.753,878 7.271,879 18.189,881 15.678,883 1.771,884 42.5,885 0.001,888 294.278,889 133.511,890 19.91,894 31.278,895 102.234,896 294.278,897 19.91,898 8.825,899 16.884,900 64.078,902 28.854,903 27.045,904 302.013,906 294.278,907 122.143,909 31.278,911 223.651,912 70.627,915 45.619,916 76.524,918 31.278,919 294.278,920 19.91,921 133.511,924 294.278,925 60.608,926 76.027,927 16.786,929 294.278,930 19.91,931 133.511,933 0.568,934 0.341,935 0.194,936 0.096,937 19,938 7,939 0.113,940 6,941 2,942 1.222,943 3.71,944 199.89,945 0.222,946 18,947 110.039,948 1,951 16.197,952 7.305,953 3.423,954 2.724,955 3.124,956 15.549,958 3.37,960 1.89,961 4.663,963 16.786,964 447.699,965 34.5,975 48.883,976 55.899,977 0.233,978 0.585,979 0.823,980 0.926,981 0.934,982 0.934,983 4.794,984 1.224,985 5.68,986 2.858,987 4.317,988 4.836,989 0.673,990 6.488,991 4.238,992 5.968,993 0.972,994 7.228,995 2.779,996 3.761,997 4.543,998 0.325,999 7.38,1000 3.647,1001 7.26,1002 0.823,1003 8.88,1004 2.058,1005 5.894,1006 7.034,1007 0.379,1008 10.502,1009 5.752,1010 8.595,1011 0.618,1012 10.597,1013 1.813,1014 6.256,1015 7.719,1016 0.268,1017 12.27,1018 6.083,1019 9.969,1020 0.573,1021 12.356,1022 1.401,1023 7.769,1024 9.589,1025 0.239,1026 14.885,1027 7.584,1028 11.37,1029 0.275,1030 14.144,1031 1.372,1032 8.545,1033 10.718,1034 0.188,1035 17.001,1036 8.342,1037 12.792,1038 -0.357,1039 15.953,1040 0.558,1041 9.818,1042 12.356,1043 0.156,1044 19.457,1045 9.609,1046 3.183,1047 -0.659,1048 17.776,1049 -0.784,1050 10.786,1051 13.692,1052 0.125,1053 21.721,1054 10.57,1055 2.8,1056 10.959,1057 19.612,1058 -1.359,1059 11.967,1060 15.244,1061 0.102,1062 24.126,1063 11.747,1064 2.525,1065 9.022,1066 21.456,1067 4.525,1068 13.025,1069 16.673,1070 0.082,1071 26.456,1072 12.803,1073 2.356,1074 7.559,1075 23.309,1076 3.48,1077 14.174,1078 18.194,1079 0.066,1080 28.845,1081 13.951,1082 1.775,1083 6.981,1084 25.167,1085 3.291,1086 15.275,1087 19.667,1088 0.054,1089 31.206,1090 15.051,1091 1.597,1092 5.063,1093 27.031,1094 2.755,1095 16.415,1096 21.178,1097 0.043,1098 33.593,1099 16.19,1100 1.323,1101 4.274,1102 28.9,1103 2.476,1104 17.538,1105 22.669,1106 0.035,1107 35.968,1108 17.313,1109 6175,1110 8763,1111 18.781,1112 33.796,1113 40.416,1114 40.021,1115 40.515,1116 40.037,1117 40.085,1118 51.293,1119 1.6,1120 113.389,1121 38.401,1122 5.539,1123 5.342,1124 6.489,1125 5.244,1126 5.183,1127 7.525,1128 1.2,1129 18.173,1130 5.154,1131 6.288,1132 1.497,1133 1.482,1134 1.501,1135 1.483,1136 1.485,1137 1.9,1138 0.059,1139 4.2,1140 1.422,1141 4.154,1142 4.187,1143 4.22,1144 4.081,1145 4.969,1146 4.083,1147 3.896,1148 3.928,1149 4.102,1150 3.921,1151 4.672,1152 3.838,1153 3.764,1154 3.81,1155 3.684,1156 3.632,1157 4.378,1158 3.629,1159 3.582,1160 3.652,1161 3.439,1162 3.44,1163 4.209,1164 3.426,1165 3.364,1166 3.439,1167 3.194,1168 3.222,1169 3.978,1170 3.205,1171 3.23,1172 3.294,1173 3.078,1174 3.115,1175 3.821,1176 3.093,1177 3.039,1178 3.127,1179 2.846,1180 2.874,1181 3.579,1182 2.855,1183 2.911,1184 3.008,1185 2.722,1186 2.735,1187 3.462,1188 2.723,1189 0.17,1190 0.124,1191 0.249,1192 0.155,1193 0.118,1194 4.593,1195 0.168,1196 3.342,1197 0.03,1198 6.722,1199 0.406,1200 4.174,1201 0.117,1202 3.183,1203 4.525,1204 0.8,1205 10.959,1206 3.154,1207 2.029,1208 2.004,1209 2.139,1210 2.114,1211 1.476,1212 2.124,1213 1.743,1214 1.689,1215 1.948,1216 1.916,1217 1.228,1218 1.93,1219 1.576,1220 1.531,1221 1.812,1222 1.746,1223 1.083,1224 1.764,1225 1.537,1226 1.468,1227 1.742,1228 1.713,1229 0.988,1230 1.74,1231 1.462,1232 1.407,1233 1.649,1234 1.614,1235 0.777,1236 1.637,1237 1.415,1238 1.389,1239 1.586,1240 1.515,1241 0.668,1242 1.561,1243 1.189,1244 1.126,1245 1.448,1246 1.363,1247 0.636,1248 1.41,1249 1.041,1250 0.979,1251 1.325,1252 1.218,1253 0.528,1254 1.277,1255 4.007,1257 5.313,1258 3.045,1259 6.817,1260 5.209,1261 8.42,1262 7.14,1263 10.083,1265 2.305,1271 8.562,1275 0.693,1276 2.744,1280 30.552,1281 65.743,1282 165.118,1283 232.319,1284 261.438,1285 263.438,1286 263.438,1287 27.486,1288 7.36,1289 19.03,1290 47.27,1291 22,1292 12.45,1293 4,1294 3.087,1295 33.757,1296 80,1297 76,1298 0.203,1299 189.791,1300 314.39,1301 454.85,1302 15112,1304 16.355,1305 0.681,1306 0.635,1307 16.709,1308 15.241,1309 11.848,1310 0.439,1311 0.373,1312 9.221,1313 11.171,1314 8.895,1315 7.364,1316 12.302,1317 10.071,1318 10.206,1319 0.276,1320 0.214,1321 10.816,1322 7.936,1323 9.011,1324 0.177,1325 0.124,1326 9.647,1327 6.318,1328 7.764,1329 0.114,1330 0.071,1331 8.328,1332 4.859,1333 5.792,1334 0.072,1335 0.041,1336 6.063,1337 3.298,1338 0.314,1339 76.656,1340 0.231,1341 23.284,1342 0.573,1343 128,1344 246.838,1345 154.418,1346 270.245,1347 386.71,1348 258,1349 152,1350 279.837,1351 173.366,1352 301.411,1353 442.43,1354 287,1355 7.886} {0 CHEMBL71176,1 1.443,2 8.043,3 4.788,4 22.923,5 93.374,6 6.593,7 0.4,8 3.937,9 4.073,10 3.397,11 3.474,12 4.927,13 3.423,14 4.538,15 4.745,16 3.753,17 3.9,18 5.431,19 3.82,20 4.831,21 5.077,22 3.894,23 4.078,24 5.719,25 3.974,26 4.938,27 5.182,28 3.926,29 4.154,30 5.848,31 4.039,32 5.023,33 5.286,34 3.809,35 4.169,36 5.865,37 4.01,38 5.062,39 5.359,40 3.668,41 4.073,42 6,43 3.888,44 4.88,45 5.194,46 3.395,47 3.88,48 5.654,49 3.673,50 4.572,51 4.857,52 3.246,53 3.646,54 5.406,55 3.471,56 0.03,57 0.749,58 11.193,59 4.818,60 7.252,61 6.663,62 0.135,63 1.24,64 21.184,65 8.079,66 17.246,67 11.581,68 0.284,69 1.586,70 29.036,71 10.521,72 31.485,73 15.271,74 0.304,75 1.736,76 32.426,77 11.946,78 35.714,79 16.915,80 0.257,81 1.78,82 35.271,83 13.505,84 42.394,85 18.988,86 0.55,87 1.689,88 37.703,89 13.089,90 95.323,91 18.797,92 0.432,93 1.302,94 31.021,95 10.746,96 48.987,97 16.021,98 0.179,99 1.038,100 22.438,101 8.179,102 26.668,103 11.833,104 31,105 35,106 0.249,107 0.568,108 0.772,109 0.806,110 0.806,111 0.806,112 3.19,113 1.044,114 -4.86,115 -4.77,116 -4.47,119 39.6,120 2,121 5,125 2,127 1,140 1,141 4,142 1,149 1,150 1,153 1,169 9,172 5,176 2,178 9,182 5,186 2,189 8,193 3,195 1,197 2,199 8,203 4,208 1,211 11,215 2,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 4,249 2,254 2,259 681,260 15.886,261 15.886,262 15.886,263 15.886,264 15.886,265 14.639,266 15.828,267 9.428,268 16.081,269 12.206,270 12.206,271 12.206,272 12.206,273 12.206,274 10.158,275 17.297,276 4.183,277 12.554,278 4.142,279 2.286,280 1.105,281 0.906,282 0.906,283 0.906,284 3.869,288 1,289 1,290 388,291 3.391,294 41.852,295 90.775,298 71.95,299 77.571,302 1.18,303 24.053,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 49.5,315 185,316 4.743,317 3.485,318 7,319 4.304,320 3.318,321 4.721,322 0.8,323 11.95,324 3.273,325 3.968,326 3.109,327 6.185,328 3.79,329 2.84,330 3.365,332 9.187,333 2.707,334 3.759,335 2.94,336 5.883,337 3.442,338 2.461,339 3.186,341 8.056,342 2.406,343 3.65,344 2.741,345 5.66,346 3.281,347 2.328,348 2.749,350 7.361,351 2.201,352 3.013,353 2.4,354 4.767,355 2.659,356 1.66,357 2.159,359 4.886,360 1.656,361 2.675,362 1.79,363 4.418,364 2.591,365 1.608,366 1.687,368 4.259,369 1.576,370 2.536,371 1.65,372 3.947,373 2.237,374 1.247,375 1.513,377 2.954,378 1.233,379 2.247,380 1.3,381 3.698,382 2.112,383 1.164,384 1.247,386 2.166,387 1.091,388 2.108,389 1.298,390 3.247,391 1.805,392 0.836,393 1.009,395 2.117,396 0.808,397 2.061,398 0.909,399 2.966,400 1.646,401 0.667,402 0.683,404 1.056,405 0.651,406 1.689,407 0.768,408 2.821,409 1.444,410 0.356,411 0.579,413 0.544,414 0.381,415 1.155,416 0.318,417 2.681,418 0.891,419 -0.051,420 -0.059,422 -0.123,423 -0.048,424 0.771,425 -0.287,426 2.383,427 0.521,428 -0.445,429 -0.445,431 -0.632,432 -0.428,433 0.555,434 -0.335,435 2.228,436 0.402,437 -0.604,438 -0.748,440 -1.532,441 -0.606,442 0.351,443 -0.389,444 2,445 0.161,446 -0.78,447 -0.85,449 -1.628,450 -0.713,451 10.919,452 0.475,453 0.483,454 0.021,455 23.75,456 1.033,457 9.5,458 0.413,459 14.25,460 0.62,461 23.997,462 1.043,463 26.281,464 0.548,465 15.573,466 0.677,467 4.238,468 0.184,469 6.951,470 0.302,471 0.148,473 0.357,477 1,479 0.6,480 1.21,481 0.879,482 1.178,483 0.481,484 1.09,485 0.714,486 1.049,487 0.894,488 1.012,489 0.52,490 0.98,491 0.711,492 0.964,493 0.86,494 0.953,495 0.563,496 0.928,497 0.849,498 1.052,499 0.968,500 1.045,501 0.747,502 1.025,503 0.802,504 1.117,505 1.004,506 1.17,507 0.811,508 1.133,509 0.876,510 0.928,511 0.969,512 0.978,513 0.893,514 0.988,515 0.596,516 0.648,517 0.848,518 0.831,519 0.696,520 0.875,521 0.699,522 0.94,523 0.926,524 1.05,525 0.744,526 1.031,527 4,529 2.889,530 1.625,531 1.699,532 0.806,533 0.597,534 0.377,535 0.227,536 0.161,537 4746,538 10829,539 2.041,540 52.1,541 8,542 6,543 1,544 1,545 1,547 8,550 1.665,551 1.89,552 3.031,553 -0.369,559 69.271,560 1.443,561 3.299,562 4.48,563 4.679,564 4.679,565 4.679,566 2.442,567 4.176,568 4.492,569 3.157,570 798.651,571 7.776,572 8817.7,574 1,577 268.078,578 1.478,579 4.443,580 0.16,582 0.083,583 0.042,584 0.044,585 0.024,586 0.022,587 0.018,588 0.013,589 0.013,590 0.418,591 0.5,592 1,593 1.522,594 105.105,595 -0.01,596 -0.083,597 0.045,598 -0.011,599 0.015,600 0.019,601 -0.034,602 -0.028,603 0.047,604 0.044,605 0.022,606 0.057,607 0.055,608 0.04,609 0.095,610 0.056,611 0.067,612 0.078,613 0.006,614 -0.043,615 -0.005,616 -0.035,617 0.037,618 -0.022,619 -0.007,620 -0.152,621 -0.058,622 -0.154,623 -0.008,624 -0.122,625 0.085,626 0.002,627 0.005,628 -0.028,629 0.081,630 -0.024,631 0.099,632 0.103,633 0.087,634 0.092,635 -0.001,636 0.085,637 0.011,638 -0.115,639 0.01,640 -0.084,641 -0.02,642 -0.046,643 1.913,644 6.263,645 0.565,646 17.157,647 0.993,648 1.136,649 3.629,650 13.172,651 0.636,652 3.258,653 3.584,654 3.932,655 4.263,656 4.522,657 4.663,658 4.812,659 4.97,660 4.99,661 4.913,662 5.065,663 0.593,664 316.46,665 3.258,666 4.796,667 5.673,668 6.578,669 7.484,670 8.4,671 9.316,672 10.236,673 11.157,674 12.08,675 4.2,678 1,683 1,687 2,688 2,690 1,693 4,695 10,696 1,713 1,714 48,716 11,717 1,718 25,720 50,721 19,722 8,723 5,724 1,725 1,730 3,731 6,736 2,740 4,743 6,745 9,746 10,750 1,755 1,757 1,762 1,764 25,765 3,766 1,767 4,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,825 1,827 23,833 7,837 1,838 1,846 1,847 2.1,850 1,854 12.167,855 9.093,856 5.333,857 3.483,858 2.227,859 1.31,860 0.973,861 4.936,862 9.42,863 3.466,864 4.047,865 4.715,866 5.372,867 5.911,868 6.327,869 6.681,870 7.079,871 7.188,872 7.272,873 1,874 39,875 8.602,877 3.677,878 7.732,879 16.836,881 14.27,883 2.232,884 51.333,887 1,888 282.506,889 87.877,890 19.91,892 25.145,893 14.96,895 87.877,896 307.651,897 34.87,898 17.65,899 16.884,900 18.524,901 48.34,902 41.161,903 28.875,904 258.964,906 282.506,907 107.787,908 40.105,911 203.298,912 119.314,915 54.444,916 41.919,917 11.424,919 297.467,920 45.055,921 87.877,924 282.506,925 40.279,926 50.723,927 16.786,928 40.105,929 282.506,930 60.015,931 87.877,933 0.564,934 0.354,935 0.213,936 0.121,937 17,938 8,939 0.12,940 6,941 2,942 1.308,943 3.358,944 190.349,945 0.308,946 13,947 98.042,951 16.355,952 6.942,953 2.98,954 1.275,955 43.229,956 3.281,958 2.932,961 2.568,963 16.786,964 430.398,965 31,970 11.346,972 0.831,975 47.647,976 54.528,977 0.258,978 0.591,979 0.802,980 0.838,981 0.838,982 0.838,983 4.714,984 1.164,985 5.666,986 2.954,987 4.263,988 4.732,989 0.673,990 6.544,991 4.209,992 5.91,993 0.836,994 7.263,995 2.166,996 3.892,997 4.677,998 0.325,999 7.585,1000 3.793,1001 7.232,1002 0.667,1003 8.965,1004 2.117,1005 5.905,1006 7.005,1007 0.379,1008 10.738,1009 5.802,1010 8.598,1011 0.356,1012 10.728,1013 1.056,1014 6.399,1015 7.87,1016 0.268,1017 12.619,1018 6.261,1019 10.006,1020 -0.051,1021 12.53,1022 0.544,1023 7.869,1024 9.684,1025 0.239,1026 15.3,1027 7.725,1028 11.443,1029 -0.445,1030 14.359,1031 -0.123,1032 8.746,1033 10.946,1034 0.188,1035 17.524,1036 8.58,1037 12.902,1038 -0.604,1039 16.207,1040 -0.632,1041 10.019,1042 12.585,1043 0.156,1044 20.058,1045 9.845,1046 3.318,1047 -0.78,1048 18.069,1049 -1.532,1050 11.067,1051 14.017,1052 0.125,1053 22.428,1054 10.879,1055 2.84,1056 11.95,1057 19.943,1058 -1.628,1059 12.271,1060 15.596,1061 0.102,1062 24.918,1063 12.075,1064 2.461,1065 9.187,1066 21.826,1067 4.721,1068 13.395,1069 17.099,1070 0.082,1071 27.35,1072 13.188,1073 2.328,1074 8.056,1075 23.718,1076 3.365,1077 14.581,1078 18.659,1079 0.066,1080 29.828,1081 14.365,1082 1.66,1083 7.361,1084 25.617,1085 3.186,1086 15.739,1087 20.19,1088 0.054,1089 32.286,1090 15.513,1091 1.608,1092 4.886,1093 27.522,1094 2.749,1095 16.922,1096 21.744,1097 0.043,1098 34.763,1099 16.687,1100 1.247,1101 4.259,1102 29.431,1103 2.159,1104 18.097,1105 23.287,1106 0.035,1107 37.233,1108 17.852,1109 4806,1110 7458,1111 16.414,1112 30.54,1113 37.617,1114 39.204,1115 39.584,1116 37.152,1117 36.972,1118 45.796,1119 1.6,1120 109.072,1121 35.965,1122 5.688,1123 5.485,1124 6.802,1125 5.32,1126 5.318,1127 7.721,1128 1.2,1129 19.466,1130 5.273,1131 12.101,1132 1.505,1133 1.568,1134 1.583,1135 1.486,1136 1.479,1137 1.832,1138 0.064,1139 4.363,1140 1.439,1141 4.17,1142 4.198,1143 4.138,1144 4.092,1145 8.201,1146 4.099,1147 3.822,1148 3.888,1149 3.712,1150 3.666,1151 7.452,1152 3.669,1153 3.619,1154 3.682,1155 3.489,1156 3.483,1157 4.869,1158 3.474,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.382,1164 3.32,1165 3.366,1166 3.405,1167 3.278,1168 3.222,1169 4.209,1170 3.224,1171 3.129,1172 3.198,1173 2.996,1174 2.908,1175 4.04,1176 2.905,1177 3.034,1178 3.119,1179 2.849,1180 2.846,1181 3.84,1182 2.847,1183 2.979,1184 3.06,1185 2.804,1186 2.71,1187 3.569,1188 2.717,1189 0.19,1190 0.139,1191 0.28,1192 0.172,1193 0.133,1194 4.743,1195 0.189,1196 3.485,1197 0.032,1198 7,1199 0.478,1200 4.304,1201 0.131,1202 3.318,1203 4.721,1204 0.8,1205 11.95,1206 3.273,1207 2.028,1208 2.006,1209 2.13,1210 2.116,1211 1.478,1212 2.122,1213 1.738,1214 1.674,1215 1.96,1216 1.926,1217 1.231,1218 1.937,1219 1.552,1220 1.514,1221 1.861,1222 1.769,1223 1.09,1224 1.785,1225 1.539,1226 1.462,1227 1.722,1228 1.738,1229 0.987,1230 1.753,1231 1.519,1232 1.459,1233 1.676,1234 1.674,1235 0.78,1236 1.687,1237 1.176,1238 1.1,1239 1.484,1240 1.403,1241 0.669,1242 1.435,1243 0.991,1244 0.906,1245 1.367,1246 1.249,1247 0.548,1248 1.293,1249 0.947,1250 0.866,1251 1.24,1252 1.239,1253 0.403,1254 1.231,1255 3.932,1257 5.252,1258 2.398,1259 6.792,1260 4.727,1261 8.444,1262 6.862,1263 10.158,1265 4.424,1267 14.263,1271 7.361,1275 0.491,1276 2.561,1280 28.463,1281 69.271,1282 158.33,1283 215.059,1284 224.568,1285 224.568,1286 224.568,1287 46.185,1288 7.193,1289 36.1,1290 36.1,1291 17,1292 12.587,1293 3.585,1294 2.807,1295 36.557,1296 69,1297 72,1298 0.27,1299 174.991,1300 302.04,1301 418.738,1302 10987,1303 2.1,1304 16.397,1305 0.713,1306 0.608,1307 15.527,1308 13.993,1309 11.189,1310 0.448,1311 0.348,1312 8.607,1313 10.83,1314 8.37,1315 6.978,1316 10.779,1317 8.697,1318 9.534,1319 0.272,1320 0.187,1321 8.995,1322 6.541,1323 8.408,1324 0.168,1325 0.1,1326 7.998,1327 4.992,1328 7.452,1329 0.106,1330 0.057,1331 7.056,1332 3.997,1333 6.164,1334 0.068,1335 0.033,1336 5.799,1337 2.985,1338 0.405,1339 69.739,1340 0.247,1341 21.926,1342 0.797,1343 120,1344 343.825,1345 129.405,1346 307.509,1347 414.71,1348 288,1349 145,1350 297.497,1351 154.914,1352 297.32,1353 441.19,1354 281,1355 8.357} {0 CHEMBL71247,1 1.439,2 8.72,3 3.711,4 13.771,5 100.587,6 6.567,7 0.37,8 4.016,9 4.156,10 3.465,11 3.541,12 5.024,13 3.493,14 4.599,15 4.802,16 3.829,17 3.965,18 5.562,19 3.886,20 4.894,21 5.131,22 3.956,23 4.145,24 5.92,25 4.042,26 4.987,27 5.224,28 3.969,29 4.235,30 5.871,31 4.114,32 5.094,33 5.349,34 3.942,35 4.274,36 5.953,37 4.121,38 5.149,39 5.437,40 3.835,41 4.211,42 5.98,43 4.04,44 5.029,45 5.321,46 3.66,47 4.052,48 5.906,49 3.878,50 4.801,51 5.08,52 3.45,53 3.844,54 5.715,55 3.673,56 0.051,57 0.755,58 12.192,59 4.914,60 8.524,61 7.039,62 0.18,63 1.225,64 22.456,65 8.417,66 26.034,67 12.367,68 0.396,69 1.52,70 30.799,71 10.919,72 70.887,73 16.198,74 0.305,75 1.661,76 33.548,77 12.363,78 38.461,79 18.141,80 0.303,81 1.772,82 37.307,83 14.091,84 43.858,85 20.628,86 0.357,87 1.753,88 39.989,89 13.931,90 54.843,91 20.87,92 0.418,93 1.507,94 35.854,95 11.915,96 63.024,97 17.953,98 0.375,99 1.22,100 28.529,101 9.478,102 50.746,103 14.167,104 45,105 38,106 0.243,107 0.577,108 0.776,109 0.814,110 0.814,111 0.814,112 3.268,113 1.029,114 -3.43,115 -3.41,116 -3.26,119 38.5,120 2,121 5,125 2,127 1,140 2,141 4,149 1,150 1,155 1,156 1,161 1,162 1,163 1,169 10,172 5,173 1,174 1,176 3,178 11,181 1,182 6,183 1,184 1,186 3,189 11,191 1,193 4,195 1,197 3,199 10,201 1,203 6,206 1,207 1,208 2,210 1,211 11,213 1,215 6,218 1,220 4,222 9,224 3,225 1,226 3,231 2,233 8,235 2,236 1,237 1,239 1,240 1,242 3,244 6,246 1,249 2,254 2,256 2,259 897,260 16.93,261 16.93,262 16.93,263 16.93,264 16.93,265 15.545,266 16.866,267 10.02,268 17.05,269 13.225,270 13.225,271 13.225,272 13.225,273 13.225,274 10.954,275 17.928,276 4.528,277 13.417,278 4.261,279 2.279,280 1.097,281 0.875,282 0.875,283 0.875,284 3.946,287 1,288 1,289 1,290 452,291 4,294 47.093,295 101.328,298 80.268,299 86.512,302 1.274,303 25.282,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 53.5,315 218,316 4.725,317 3.823,318 7.005,319 4.309,320 3.311,321 4.671,322 0.98,323 11.956,324 3.305,325 4.115,326 3.357,327 6.264,328 3.864,329 2.881,330 3.524,331 0.8,332 9.335,333 2.86,334 3.861,335 3.048,336 6.068,337 3.647,338 2.66,339 3.206,341 8.621,342 2.591,343 3.656,344 2.849,345 5.677,346 3.322,347 2.335,348 2.761,350 7.351,351 2.294,352 3.277,353 2.529,354 4.932,355 2.833,356 1.838,357 2.565,359 5.275,360 1.823,361 2.904,362 1.979,363 4.598,364 2.603,365 1.624,366 2.005,368 4.442,369 1.588,370 2.673,371 1.7,372 4.406,373 2.53,374 1.527,375 1.68,377 4.148,378 1.526,379 2.444,380 1.598,381 3.711,382 2.237,383 1.247,384 1.294,386 2.166,387 1.233,388 2.247,389 1.298,390 3.369,391 1.908,392 0.901,393 1.247,395 2.117,396 0.898,397 2.114,398 0.915,399 3.247,400 1.808,401 0.834,402 0.963,404 2.012,405 0.81,406 1.986,407 0.854,408 3.121,409 1.654,410 0.651,411 0.774,413 1.213,414 0.649,415 1.649,416 0.669,417 2.82,418 1.475,419 0.447,420 0.588,422 0.912,423 0.457,424 0.892,425 0.225,426 2.535,427 0.637,428 -0.348,429 -0.401,431 -0.632,432 -0.343,433 0.772,434 -0.164,435 2.302,436 0.521,437 -0.445,438 -0.445,440 -0.832,441 -0.428,442 0.555,443 -0.287,444 2.226,445 0.404,446 -0.597,447 -0.727,449 -1.632,450 -0.595,451 11.867,452 0.475,453 0.61,454 0.024,455 26.5,456 1.06,457 11,458 0.44,459 15.5,460 0.62,461 26.103,462 1.044,463 28.333,464 0.545,465 19.014,466 0.761,467 4.759,468 0.19,469 7.303,470 0.292,471 0.174,473 0.371,479 0.738,480 1.32,481 0.925,482 1.142,483 0.611,484 1.06,485 0.665,486 1.144,487 0.881,488 1.043,489 0.437,490 0.99,491 0.73,492 0.991,493 0.884,494 0.942,495 0.511,496 0.928,497 0.787,498 1.062,499 0.988,500 1.066,501 0.66,502 1.052,503 0.59,504 1.142,505 0.958,506 1.178,507 0.609,508 1.129,509 0.761,510 0.999,511 0.908,512 1.017,513 0.743,514 0.987,515 0.964,516 0.922,517 0.949,518 0.935,519 1.047,520 0.941,521 1.026,522 0.944,523 1.06,524 1.01,525 1.146,526 1.037,527 4.5,528 0.066,529 3.333,530 1.563,531 1.543,532 1.077,533 0.663,534 0.498,535 0.317,536 0.201,537 5920,538 13482,539 2.015,540 51.9,541 8,542 7,543 1,545 3,547 8,550 1.688,551 1.852,552 3.148,553 0.926,555 1,559 74.847,560 1.439,561 3.422,562 4.604,563 4.825,564 4.825,565 4.825,566 2.519,567 4.164,568 4.613,569 3.267,570 980.07,571 8.02,572 11516,574 1,576 1,577 296.423,578 1.516,579 4.555,580 0.167,581 0.008,582 0.088,583 0.037,584 0.037,585 0.028,586 0.019,587 0.018,588 0.014,589 0.013,590 0.428,591 0.33,592 1,593 1.57,594 118.06,595 -0.05,596 -0.025,597 0.032,598 0.031,599 -0.04,600 0.042,601 0.063,602 0.012,603 0.078,604 0.04,605 0.123,606 0.059,607 0.138,608 0.072,609 0.088,610 0.085,611 0.244,612 0.084,613 -0.001,614 -0.004,615 -0.03,616 -0.023,617 0.032,618 -0.028,619 0.096,620 -0.145,621 -0.017,622 -0.142,623 0.054,624 -0.104,625 0.034,626 -0.067,627 0.049,628 -0.044,629 0.016,630 -0.003,632 -0.011,633 0.028,634 0.014,635 -0.057,636 0.022,637 -0.004,638 -0.001,639 -0.077,640 -0.057,641 -0.094,642 -0.075,643 2.565,644 5.221,645 0.52,646 19.936,647 0.992,648 1.133,649 2.202,650 4.851,651 0.636,652 3.332,653 3.664,654 3.989,655 4.29,656 4.554,657 4.718,658 4.883,659 5.03,660 5.106,661 5.088,662 5.412,663 0.593,664 341.5,665 3.332,666 4.875,667 5.746,668 6.645,669 7.546,670 8.457,671 9.369,672 10.285,673 11.203,674 12.123,675 5.8,678 1,682 1,683 1,687 2,688 3,690 1,693 3,695 10,700 1,714 52,716 12,717 1,718 27,720 54,721 20,722 8,723 4,724 2,725 2,730 3,731 6,736 2,740 4,743 6,745 10,746 10,750 2,755 2,759 2,761 1,764 27,765 4,766 3,767 5,773 3,777 0.333,778 2,788 1,792 1,793 2,796 1,797 1,804 1,815 1,819 1,823 2,827 25,828 1,833 7,837 1,838 1,847 3.8,850 2,854 13.5,855 9.7,856 5.694,857 3.649,858 2.297,859 1.311,860 0.971,861 5.48,862 9.68,863 3.555,864 4.131,865 4.761,866 5.372,867 5.92,868 6.352,869 6.749,870 7.141,871 7.32,872 7.517,873 0.833,874 42,875 9.328,877 3.985,878 7.74,879 18.135,881 15.254,883 2.24,884 56,886 1,887 1,888 282.506,889 86.646,890 52.807,892 50.29,895 86.646,896 332.796,897 52.807,898 17.65,899 49.781,900 28,901 60.128,902 32.04,903 13.915,904 270.735,906 282.506,907 139.453,908 50.29,911 188.338,912 144.459,915 87.342,916 52.112,919 282.506,920 103.097,921 86.646,924 282.506,925 40.996,926 48.775,927 16.786,928 83.187,929 282.506,930 103.097,931 86.646,933 0.572,934 0.349,935 0.196,936 0.112,937 18,938 9,939 0.13,940 7,941 2,942 1.308,943 3.5,944 212.882,945 0.308,946 13,947 110.096,951 18,952 7.611,953 3.454,954 1.792,955 86.311,956 5.77,958 3.126,961 2.907,963 49.683,964 472.25,965 34,970 23.624,974 -1.509,975 51.563,976 58.896,977 0.253,978 0.6,979 0.808,980 0.846,981 0.846,982 0.846,983 4.808,984 1.247,985 5.746,986 4.148,987 4.344,988 4.816,989 1.356,990 6.616,991 4.321,992 6.011,993 0.901,994 7.344,995 2.166,996 4.007,997 4.771,998 0.325,999 7.656,1000 3.986,1001 7.334,1002 0.834,1003 9.047,1004 2.117,1005 5.984,1006 7.053,1007 1.195,1008 10.8,1009 5.941,1010 8.699,1011 0.651,1012 10.811,1013 2.012,1014 6.494,1015 7.901,1016 0.268,1017 12.677,1018 6.459,1019 10.102,1020 0.447,1021 12.613,1022 1.213,1023 7.946,1024 9.69,1025 1.112,1026 15.354,1027 7.894,1028 11.532,1029 -0.348,1030 14.441,1031 0.912,1032 8.825,1033 10.927,1034 0.188,1035 17.571,1036 8.782,1037 12.984,1038 -0.445,1039 16.288,1040 -0.632,1041 10.088,1042 12.549,1043 1.054,1044 20.101,1045 10.034,1046 3.311,1047 -0.597,1048 18.15,1049 -0.832,1050 11.131,1051 13.958,1052 0.125,1053 22.465,1054 11.083,1055 2.881,1056 11.956,1057 20.023,1058 -1.632,1059 12.327,1060 15.522,1061 1.007,1062 24.95,1063 12.274,1064 2.66,1065 9.335,1066 21.905,1067 4.671,1068 13.443,1069 17.006,1070 0.082,1071 27.377,1072 13.393,1073 2.335,1074 8.621,1075 23.795,1076 3.524,1077 14.62,1078 18.552,1079 0.969,1080 29.852,1081 14.569,1082 1.838,1083 7.351,1084 25.692,1085 3.206,1086 15.77,1087 20.067,1088 0.054,1089 32.307,1090 15.721,1091 1.624,1092 5.275,1093 27.595,1094 2.761,1095 16.945,1096 21.608,1097 0.935,1098 34.781,1099 16.895,1100 1.527,1101 4.442,1102 29.502,1103 2.565,1104 18.112,1105 23.138,1106 0.035,1107 37.249,1108 18.063,1109 6013,1110 9295,1111 17.512,1112 33.063,1113 41.076,1114 42.34,1115 42.879,1116 40.555,1117 40.508,1118 50.555,1119 3.56,1120 119.094,1121 40.062,1122 5.67,1123 5.823,1124 6.807,1125 5.326,1126 5.311,1127 7.671,1128 1.96,1129 19.416,1130 5.305,1131 14.285,1132 1.521,1133 1.568,1134 1.588,1135 1.502,1136 1.5,1137 1.872,1138 0.132,1139 4.411,1140 1.484,1141 4.17,1142 4.198,1143 4.133,1144 4.096,1145 7.503,1146 4.102,1147 3.826,1148 3.89,1149 3.722,1150 3.672,1151 7.355,1152 3.676,1153 3.647,1154 3.697,1155 3.559,1156 3.5,1157 4.937,1158 3.498,1159 3.51,1160 3.586,1161 3.408,1162 3.348,1163 4.867,1164 3.321,1165 3.501,1166 3.549,1167 3.279,1168 3.301,1169 4.383,1170 3.32,1171 3.264,1172 3.332,1173 3.129,1174 3.083,1175 4.231,1176 3.098,1177 3.046,1178 3.14,1179 2.849,1180 2.869,1181 4.04,1182 2.853,1183 3.011,1184 3.103,1185 2.823,1186 2.804,1187 3.94,1188 2.795,1189 0.175,1190 0.142,1191 0.259,1192 0.16,1193 0.123,1194 4.725,1195 0.173,1196 3.823,1197 0.036,1198 7.005,1199 0.443,1200 4.309,1201 0.122,1202 3.311,1203 4.671,1204 0.98,1205 11.956,1206 3.305,1207 2.033,1208 2.01,1209 2.139,1210 2.116,1211 1.479,1212 2.126,1213 1.741,1214 1.678,1215 1.965,1216 1.926,1217 1.233,1218 1.941,1219 1.604,1220 1.581,1221 1.861,1222 1.819,1223 1.09,1224 1.785,1225 1.539,1226 1.467,1227 1.752,1228 1.738,1229 1,1230 1.782,1231 1.53,1232 1.459,1233 1.694,1234 1.714,1235 0.789,1236 1.725,1237 1.202,1238 1.147,1239 1.484,1240 1.503,1241 0.686,1242 1.487,1243 1.17,1244 1.098,1245 1.401,1246 1.39,1247 0.551,1248 1.426,1249 0.988,1250 0.884,1251 1.36,1252 1.246,1253 0.403,1254 1.294,1255 4.007,1257 5.333,1258 2.398,1259 6.868,1260 4.727,1261 8.507,1262 6.862,1263 10.206,1265 4.431,1269 5.238,1271 7.557,1275 0.49,1276 2.573,1280 30.815,1281 74.847,1282 177.92,1283 239.403,1284 250.913,1285 250.913,1286 250.913,1287 51.444,1288 7.383,1289 79.19,1290 79.19,1291 17,1292 12.632,1293 3.7,1294 3,1295 41.43,1296 79,1297 84,1298 0.262,1299 191.248,1300 330.42,1301 458.405,1302 14191,1304 17.974,1305 0.719,1306 0.604,1307 17.974,1308 15.1,1309 12.062,1310 0.447,1311 0.343,1312 9.178,1313 11.721,1314 8.921,1315 7.446,1316 12.062,1317 9.263,1318 10.594,1319 0.279,1320 0.183,1321 10.594,1322 6.954,1323 9.113,1324 0.172,1325 0.099,1326 9.113,1327 5.244,1328 7.598,1329 0.106,1330 0.058,1331 7.598,1332 4.143,1333 6.305,1334 0.067,1335 0.033,1336 6.305,1337 3.098,1338 0.395,1339 74.845,1340 0.239,1341 23.62,1342 0.767,1343 130,1344 330.761,1345 139.48,1346 322.171,1347 438.75,1348 300,1349 156,1350 320.554,1351 165.814,1352 325.645,1353 482.07,1354 308,1355 7.268} {0 CHEMBL71299,1 1.299,2 8.043,3 4.788,4 22.927,5 98.054,6 6.127,7 0.4,8 3.983,9 4.123,10 3.391,11 3.522,12 4.894,13 3.454,14 4.59,15 4.812,16 3.733,17 3.95,18 5.368,19 3.853,20 4.861,21 5.107,22 3.862,23 4.152,24 5.611,25 4.026,26 4.999,27 5.25,28 3.875,29 4.247,30 5.749,31 4.096,32 5.077,33 5.344,34 3.789,35 4.259,36 5.801,37 4.072,38 5.132,39 5.434,40 3.636,41 4.164,42 5.856,43 3.953,44 4.955,45 5.268,46 3.424,47 3.977,48 5.649,49 3.758,50 4.7,51 5,52 3.231,53 3.769,54 5.417,55 3.563,56 0.055,57 0.721,58 12.493,59 5.088,60 8.874,61 7.395,62 0.17,63 1.211,64 22.833,65 8.32,66 14.828,67 12.542,68 0.197,69 1.516,70 29.513,71 11.156,72 21.405,73 16.652,74 0.286,75 1.682,76 33.842,77 13.006,78 25.712,79 19.157,80 0.198,81 1.74,82 35.944,83 14.547,84 27.973,85 21.129,86 0.334,87 1.7,88 38.002,89 14.144,90 42.388,91 20.767,92 0.307,93 1.41,94 31.628,95 11.755,96 34.564,97 17.428,98 0.196,99 1.125,100 24.591,101 9.112,102 22.751,103 13.544,104 31,105 35,106 0.221,107 0.522,108 0.765,109 0.803,110 0.803,111 0.803,112 3.19,113 1.078,114 -4.7,115 -4.62,116 -4.34,119 39.2,120 2,121 5,124 1,125 2,127 1,140 2,141 4,149 1,150 1,153 1,169 10,172 8,178 11,182 7,189 11,192 1,193 5,199 10,203 6,211 11,214 1,215 4,222 9,225 1,226 1,233 8,237 2,244 6,249 4,256 2,259 687,260 15.886,261 15.886,262 15.886,263 15.886,264 15.886,265 14.639,266 17.363,267 9.428,268 16.076,269 12.206,270 12.206,271 12.206,272 12.206,273 12.206,274 10.158,275 18.148,276 4.183,277 12.52,278 4.373,279 2.604,280 1.172,281 0.946,282 0.946,283 0.946,284 3.87,288 1,289 1,290 388,291 3.391,294 42.304,295 90.471,298 71.919,299 77.209,302 1.18,303 12.523,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 48,315 185,316 4.748,317 3.445,318 7.004,319 4.306,320 3.321,321 4.73,322 0.8,323 11.969,324 3.275,325 4.034,326 3.112,327 6.207,328 3.815,329 2.862,330 3.48,332 9.259,333 2.735,334 3.715,335 2.868,336 5.953,337 3.49,338 2.528,339 2.915,341 8.317,342 2.427,343 3.529,344 2.679,345 5.445,346 3.109,347 2.126,348 2.767,350 6.595,351 2.081,352 3.018,353 2.079,354 4.809,355 2.656,356 1.676,357 2.189,359 4.966,360 1.649,361 2.8,362 1.787,363 4.468,364 2.638,365 1.648,366 1.856,368 4.425,369 1.619,370 2.59,371 1.606,372 4.23,373 2.282,374 1.308,375 1.589,377 3.525,378 1.269,379 2.247,380 1.422,381 3.464,382 2.237,383 1.247,384 1.247,386 2.117,387 1.233,388 2.155,389 1.298,390 3.247,391 1.855,392 0.851,393 0.964,395 1.996,396 0.853,397 1.982,398 0.882,399 2.936,400 1.625,401 0.629,402 0.685,404 1.002,405 0.623,406 1.652,407 0.7,408 2.791,409 1.44,410 0.354,411 0.549,413 0.534,414 0.381,415 0.959,416 -0.102,417 2.529,418 0.671,419 -0.312,420 -0.364,422 -0.632,423 -0.306,424 0.856,425 -0.286,426 2.433,427 0.545,428 -0.438,429 -0.445,431 -0.782,432 -0.428,433 0.555,434 -0.287,435 2.237,436 0.521,437 -0.445,438 -0.528,440 -1.099,441 -0.429,442 0.468,443 -0.528,444 2.164,445 0.193,446 -0.787,447 -0.925,449 -1.782,450 -0.769,451 11.133,452 0.484,453 0.483,454 0.021,455 23.75,456 1.033,457 9.5,458 0.413,459 14.25,460 0.62,461 24.334,462 1.058,463 26.067,464 0.511,465 15.188,466 0.66,467 4.158,468 0.181,469 7.032,470 0.306,471 0.165,473 0.341,479 0.716,480 1.469,481 0.982,482 1.243,483 0.523,484 1.149,485 1.07,486 1.045,487 0.979,488 0.919,489 0.586,490 0.925,491 0.815,492 1.044,493 0.947,494 0.975,495 0.435,496 0.963,497 0.849,498 1.038,499 1.054,500 1.059,501 0.678,502 1.066,503 0.611,504 1.191,505 1.028,506 1.213,507 0.61,508 1.165,509 1.069,510 0.949,511 0.973,512 0.973,513 1.259,514 0.972,515 0.897,516 0.862,517 0.914,518 0.888,519 1.036,520 0.903,521 0.994,522 0.939,523 1.012,524 0.978,525 0.957,526 0.991,527 4,529 2.889,530 1.979,531 1.423,532 0.865,533 0.569,534 0.405,535 0.227,536 0.161,537 4762,538 8923,539 2.041,540 54.9,541 8,542 10,543 1,544 1,547 8,550 1.664,551 1.89,552 3.036,553 -0.858,559 66.249,560 1.299,561 3.069,562 4.5,563 4.726,564 4.726,565 4.726,566 2.442,567 4.143,568 4.493,569 3.16,570 799.491,571 7.776,572 8840.82,574 1,577 289.294,578 1.478,579 4.443,580 0.16,582 0.083,583 0.051,584 0.037,585 0.026,586 0.021,587 0.018,588 0.013,589 0.013,590 0.422,591 0.5,592 1,593 1.522,594 105.175,595 0.054,596 -0.199,597 0.068,598 -0.06,599 0.038,600 -0.008,601 -0.087,602 0.118,603 0.056,604 0.124,605 -0.003,606 0.107,607 -0.019,608 0.048,609 0.052,610 0.055,611 0.06,612 0.061,613 0.018,614 0.022,615 -0.061,616 -0.034,617 0.028,618 -0.049,619 0.046,620 -0.201,621 -0.073,622 -0.184,623 0.058,624 -0.145,625 0.003,626 -0.034,627 -0.004,628 -0.024,629 -0.05,630 -0.019,631 0.059,632 0.043,633 0.042,634 0.05,635 -0.024,636 0.044,637 -0.056,638 0.007,639 -0.046,640 -0.026,641 -0.044,642 -0.031,643 0.984,644 4.516,645 0.565,646 16.658,647 0.981,648 1.129,649 3.474,650 12.072,651 0.635,652 3.258,653 3.584,654 3.932,655 4.263,656 4.522,657 4.644,658 4.804,659 4.949,660 5.011,661 4.942,662 5.078,663 0.581,664 312.5,665 3.258,666 4.796,667 5.673,668 6.578,669 7.484,670 8.4,671 9.315,672 10.236,673 11.156,674 12.079,675 3.9,678 1,683 1,687 2,688 3,693 3,694 1,695 10,696 1,714 51,716 11,717 1,718 25,720 53,721 20,722 8,723 4,724 2,725 1,730 3,731 6,736 2,740 4,743 6,745 9,746 11,750 1,755 1,757 1,764 28,765 2,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,827 23,833 7,837 1,838 1,847 2,850 1,854 12.167,855 9.983,856 5.333,857 3.667,858 2.237,859 1.311,860 0.962,861 4.985,862 9.443,863 3.466,864 4.047,865 4.715,866 5.372,867 5.922,868 6.312,869 6.691,870 7.068,871 7.218,872 7.312,873 1,874 39,875 8.559,877 3.548,878 7.464,879 17.196,881 14.507,883 1.964,884 45.167,885 0.001,887 1,888 329.591,889 96.629,890 5.023,892 25.145,895 96.629,896 354.736,897 5.023,898 26.047,899 16.884,900 28,901 48.34,902 17.153,903 13.915,904 306.049,906 329.591,907 101.652,908 25.145,911 235.422,912 119.314,915 39.558,916 50.67,917 11.424,919 329.591,920 30.168,921 96.629,924 329.591,925 31.158,926 70.494,928 25.145,929 329.591,930 30.168,931 96.629,933 0.564,934 0.354,935 0.213,936 0.123,937 17,938 8,939 0.113,940 6,941 2,942 1.308,943 3.361,944 190.067,945 0.308,946 13,947 98.042,951 16.417,952 6.983,953 3.003,954 2.377,955 28.269,956 6.418,961 3.701,962 2.082,964 456.388,965 31,970 11.516,972 1.016,975 50.018,976 57.604,977 0.229,978 0.541,979 0.793,980 0.833,981 0.833,982 0.833,983 4.714,984 1.247,985 5.666,986 3.525,987 4.263,988 4.732,989 0.673,990 6.544,991 4.215,992 5.91,993 0.851,994 7.263,995 2.117,996 3.892,997 4.677,998 0.325,999 7.585,1000 3.797,1001 7.232,1002 0.629,1003 8.965,1004 1.996,1005 5.905,1006 7.005,1007 0.379,1008 10.738,1009 5.807,1010 8.598,1011 0.354,1012 10.728,1013 1.002,1014 6.399,1015 7.87,1016 0.268,1017 12.628,1018 6.263,1019 10.007,1020 -0.312,1021 12.531,1022 0.534,1023 7.874,1024 9.689,1025 0.239,1026 15.307,1027 7.732,1028 11.445,1029 -0.438,1030 14.36,1031 -0.632,1032 8.755,1033 10.956,1034 0.188,1035 17.542,1036 8.589,1037 12.906,1038 -0.445,1039 16.208,1040 -0.782,1041 10.031,1042 12.599,1043 0.156,1044 20.073,1045 9.856,1046 3.321,1047 -0.787,1048 18.071,1049 -1.099,1050 11.083,1051 14.036,1052 0.125,1053 22.45,1054 10.893,1055 2.862,1056 11.969,1057 19.947,1058 -1.782,1059 12.289,1060 15.617,1061 0.102,1062 24.938,1063 12.09,1064 2.528,1065 9.259,1066 21.832,1067 4.73,1068 13.416,1069 17.123,1070 0.082,1071 27.373,1072 13.204,1073 2.126,1074 8.317,1075 23.725,1076 3.48,1077 14.602,1078 18.685,1079 0.066,1080 29.851,1081 14.382,1082 1.676,1083 6.595,1084 25.626,1085 2.915,1086 15.762,1087 20.219,1088 0.054,1089 32.311,1090 15.531,1091 1.648,1092 4.966,1093 27.532,1094 2.767,1095 16.945,1096 21.774,1097 0.043,1098 34.788,1099 16.705,1100 1.308,1101 4.425,1102 29.444,1103 2.189,1104 18.121,1105 23.319,1106 0.035,1107 37.259,1108 17.87,1109 4820,1110 6734,1111 16.414,1112 32.364,1113 37.663,1114 39.038,1115 39.524,1116 37.26,1117 37.103,1118 45.942,1119 1.6,1120 109.413,1121 36.29,1122 5.693,1123 5.445,1124 6.806,1125 5.321,1126 5.321,1127 7.73,1128 1.2,1129 19.392,1130 5.275,1131 12.116,1132 1.507,1133 1.562,1134 1.581,1135 1.49,1136 1.484,1137 1.838,1138 0.064,1139 4.377,1140 1.452,1141 4.177,1142 4.206,1143 4.14,1144 4.102,1145 7.452,1146 4.107,1147 3.829,1148 3.895,1149 3.721,1150 3.675,1151 4.889,1152 3.678,1153 3.632,1154 3.696,1155 3.497,1156 3.493,1157 4.375,1158 3.484,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.235,1164 3.32,1165 3.348,1166 3.393,1167 3.236,1168 3.223,1169 4.04,1170 3.215,1171 3.245,1172 3.313,1173 3.09,1174 3.012,1175 3.943,1176 3.019,1177 3.088,1178 3.176,1179 2.884,1180 2.907,1181 3.748,1182 2.891,1183 2.979,1184 3.074,1185 2.761,1186 2.761,1187 3.604,1188 2.746,1189 0.19,1190 0.138,1191 0.28,1192 0.172,1193 0.133,1194 4.748,1195 0.189,1196 3.445,1197 0.032,1198 7.004,1199 0.479,1200 4.306,1201 0.131,1202 3.321,1203 4.73,1204 0.8,1205 11.969,1206 3.275,1207 2.034,1208 2.01,1209 2.141,1210 2.118,1211 1.48,1212 2.128,1213 1.744,1214 1.679,1215 1.967,1216 1.934,1217 1.234,1218 1.946,1219 1.62,1220 1.568,1221 1.861,1222 1.829,1223 1.09,1224 1.828,1225 1.539,1226 1.472,1227 1.811,1228 1.738,1229 1.02,1230 1.785,1231 1.523,1232 1.459,1233 1.713,1234 1.674,1235 0.857,1236 1.691,1237 1.234,1238 1.164,1239 1.516,1240 1.448,1241 0.761,1242 1.472,1243 1.07,1244 0.988,1245 1.42,1246 1.329,1247 0.552,1248 1.365,1249 0.994,1250 0.897,1251 1.366,1252 1.249,1253 0.486,1254 1.294,1255 3.932,1257 5.252,1258 2.398,1259 6.792,1260 4.844,1261 8.441,1262 7.034,1263 10.149,1265 6.557,1271 8.224,1275 0.618,1276 2.658,1280 29.606,1281 66.249,1282 156.5,1283 229.519,1284 241.029,1285 241.029,1286 241.029,1287 35.199,1288 7.206,1289 25.24,1290 25.24,1291 17,1292 12.586,1293 3.585,1294 2.807,1295 36.563,1296 69,1297 72,1298 0.268,1299 183.385,1300 313.27,1301 439.219,1302 11209,1304 16.397,1305 0.713,1306 0.636,1307 16.397,1308 14.639,1309 11.189,1310 0.448,1311 0.359,1312 8.904,1313 10.902,1314 8.58,1315 7.202,1316 11.189,1317 8.981,1318 9.534,1319 0.272,1320 0.196,1321 9.534,1322 6.843,1323 8.408,1324 0.168,1325 0.105,1326 8.408,1327 5.241,1328 7.445,1329 0.106,1330 0.06,1331 7.445,1332 4.217,1333 6.26,1334 0.069,1335 0.035,1336 6.26,1337 3.164,1338 0.403,1339 69.078,1340 0.247,1341 21.937,1342 0.791,1343 120,1344 261.026,1345 125.935,1346 256.171,1347 358.3,1348 242,1349 145,1350 266.009,1351 151.991,1352 274.123,1353 404.75,1354 258,1355 6.476} {0 CHEMBL71319,1 1.421,2 8.125,3 4.994,4 24.937,5 98.271,6 6.48,7 0.385,8 3.992,9 4.129,10 3.44,11 3.521,12 4.967,13 3.466,14 4.601,15 4.817,16 3.802,17 3.947,18 5.473,19 3.869,20 4.877,21 5.116,22 3.959,23 4.149,24 5.752,25 4.046,26 5.016,27 5.259,28 4.019,29 4.243,30 5.919,31 4.128,32 5.104,33 5.36,34 3.901,35 4.255,36 5.999,37 4.101,38 5.153,39 5.446,40 3.739,41 4.16,42 6.091,43 3.975,44 4.962,45 5.273,46 3.483,47 3.976,48 5.717,49 3.767,50 4.71,51 5.005,52 3.343,53 3.766,54 5.496,55 3.584,56 0.03,57 0.788,58 12.055,59 5.12,60 7.532,61 7.162,62 0.171,63 1.306,64 22.869,65 8.368,66 18.242,67 12.212,68 0.287,69 1.675,70 30.406,71 11.213,72 28.405,73 16.244,74 0.299,75 1.891,76 35.049,77 13.113,78 32.207,79 18.58,80 0.314,81 1.986,82 38.564,83 14.69,84 51.191,85 20.358,86 0.608,87 1.819,88 41.059,89 14.218,90 102.744,91 20.386,92 0.43,93 1.423,94 33.244,95 11.737,96 48.599,97 17.481,98 0.222,99 1.173,100 25.696,101 9.135,102 27.505,103 13.428,104 40,105 37,106 0.242,107 0.539,108 0.772,109 0.803,110 0.803,111 0.803,112 3.23,113 1.048,114 -5.08,115 -4.98,116 -4.67,119 39.2,120 2,121 5,124 1,125 2,127 1,140 1,141 4,142 1,149 1,150 1,153 1,169 9,172 7,178 9,182 7,189 8,192 1,193 5,199 8,203 5,211 11,214 1,215 3,222 9,225 1,226 1,233 8,237 2,244 4,249 4,259 766,260 16.386,261 16.386,262 16.386,263 16.386,264 16.386,265 15.094,266 18.991,267 9.656,268 16.624,269 12.696,270 12.696,271 12.696,272 12.696,273 12.696,274 10.558,275 21.084,276 4.291,277 13.11,278 4.251,279 2.501,280 1.133,281 0.946,282 0.946,283 0.946,284 3.907,288 1,289 1,290 407,291 3.464,294 43.682,295 95.438,298 75.201,299 81.426,302 1.219,303 24.09,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 51.5,315 195,316 4.804,317 3.53,318 7.108,319 4.355,320 3.376,321 4.803,322 0.8,323 12.347,324 3.309,325 4.038,326 3.131,327 6.251,328 3.823,329 2.871,330 3.481,332 9.356,333 2.741,334 3.759,335 2.94,336 6.009,337 3.491,338 2.528,339 3.206,341 8.444,342 2.43,343 3.7,344 2.781,345 5.697,346 3.32,347 2.355,348 2.767,350 7.492,351 2.255,352 3.035,353 2.492,354 4.839,355 2.698,356 1.757,357 2.201,359 5.019,360 1.659,361 3.013,362 1.974,363 4.768,364 2.653,365 1.651,366 2.142,368 4.836,369 1.645,370 2.643,371 1.769,372 4.408,373 2.521,374 1.559,375 1.644,377 4.171,378 1.482,379 2.247,380 1.514,381 3.889,382 2.237,383 1.247,384 1.247,386 2.587,387 1.233,388 2.155,389 1.298,390 3.247,391 1.937,392 0.95,393 1.062,395 2.117,396 0.933,397 2.095,398 1.148,399 3.07,400 1.648,401 0.668,402 0.689,404 1.056,405 0.652,406 1.689,407 0.768,408 2.935,409 1.475,410 0.379,411 0.616,413 0.572,414 0.409,415 1.156,416 0.349,417 2.695,418 0.892,419 -0.049,420 -0.056,422 -0.118,423 -0.045,424 0.908,425 -0.166,426 2.531,427 0.571,428 -0.404,429 -0.445,431 -0.632,432 -0.39,433 0.555,434 -0.287,435 2.267,436 0.521,437 -0.445,438 -0.49,440 -1.124,441 -0.428,442 0.484,443 -0.379,444 2.214,445 0.194,446 -0.779,447 -0.846,449 -1.597,450 -0.705,451 11.419,452 0.476,453 0.572,454 0.024,455 24.5,456 1.021,457 9.5,458 0.396,459 15,460 0.625,461 25.977,462 1.082,463 27.581,464 0.541,465 16.905,466 0.704,467 4.376,468 0.182,469 7.224,470 0.301,471 0.186,473 0.377,477 1,479 0.583,480 1.3,481 0.889,482 1.242,483 0.481,484 1.136,485 0.781,486 0.984,487 0.886,488 0.92,489 0.515,490 0.907,491 0.719,492 0.985,493 0.88,494 0.976,495 0.591,496 0.95,497 0.81,498 1.09,499 0.942,500 1.065,501 0.709,502 1.028,503 1.041,504 1.219,505 1.096,506 1.212,507 1.058,508 1.175,509 0.989,510 0.918,511 1.006,512 0.969,513 1.056,514 0.99,515 0.578,516 0.706,517 0.863,518 0.882,519 0.677,520 0.915,521 0.712,522 0.879,523 0.919,524 0.978,525 0.684,526 0.977,527 4.5,529 2.889,530 2.319,531 1.899,532 0.948,533 0.648,534 0.467,535 0.276,536 0.201,537 5205,538 11454,539 2.015,540 52.9,541 8,542 9,543 1,544 1,547 8,550 1.677,551 1.846,552 3.038,553 -0.823,559 72.473,560 1.421,561 3.171,562 4.54,563 4.726,564 4.726,565 4.726,566 2.44,567 4.168,568 4.554,569 3.177,570 876.893,571 7.902,572 9949.12,574 1,577 289.294,578 1.528,579 4.493,580 0.173,582 0.078,583 0.055,584 0.044,585 0.026,586 0.022,587 0.02,588 0.014,589 0.014,590 0.448,591 0.5,592 1,593 1.527,594 111.163,595 0.013,596 -0.16,597 0.057,598 -0.06,599 0.014,600 -0.009,601 -0.05,602 0.047,603 0.08,604 0.12,605 0.027,606 0.123,607 0.052,608 0.045,609 0.083,610 0.053,611 0.043,612 0.07,613 0.03,614 -0.074,615 0.025,616 -0.041,617 0.059,618 -0.014,619 -0.048,620 -0.139,621 -0.118,622 -0.18,623 -0.038,624 -0.162,625 0.053,626 0.008,627 -0.024,628 -0.021,629 0.048,630 -0.033,631 0.101,632 0.061,633 0.066,634 0.05,635 0.003,636 0.049,637 -0.002,638 -0.055,639 0.02,640 -0.03,641 -0.008,642 -0.006,643 1.878,644 6.535,645 0.542,646 18.326,647 0.991,648 1.136,649 3.855,650 14.857,651 0.633,652 3.296,653 3.638,654 3.989,655 4.344,656 4.605,657 4.745,658 4.905,659 5.056,660 5.112,661 5.043,662 5.152,663 0.588,664 330.49,665 3.296,666 4.844,667 5.727,668 6.642,669 7.554,670 8.481,671 9.403,672 10.334,673 11.262,674 12.195,675 3.9,678 1,683 1,687 2,688 2,693 4,694 1,695 10,696 1,713 1,714 51,716 11,717 1,718 26,720 53,721 20,722 8,723 5,724 1,725 1,730 3,731 6,736 2,740 4,743 6,745 9,746 11,750 1,755 1,757 1,762 1,764 27,765 3,767 4,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,825 1,827 24,833 7,837 1,838 1,846 1,847 2,850 1,854 13,855 10.043,856 5.528,857 3.654,858 2.23,859 1.306,860 0.963,861 5.171,862 9.526,863 3.497,864 4.099,865 4.774,866 5.452,867 6.006,868 6.422,869 6.789,870 7.167,871 7.327,872 7.382,873 1,874 42,875 8.983,877 3.822,878 7.701,879 17.617,881 14.881,883 2.201,884 52.833,886 1,887 1,888 317.82,889 96.274,890 5.023,892 25.145,893 14.96,895 96.274,896 342.965,897 19.984,898 26.047,899 16.884,900 18.524,901 48.34,902 26.274,903 28.875,904 294.278,906 317.82,907 101.297,908 40.105,911 238.611,912 119.314,915 39.558,916 50.315,917 11.424,919 332.78,920 30.168,921 96.274,924 317.82,925 40.279,926 61.018,928 40.105,929 317.82,930 45.128,931 96.274,933 0.569,934 0.357,935 0.219,936 0.126,937 18,938 9,939 0.113,940 6,941 2,942 1.308,943 3.391,944 203.955,945 0.308,946 13,947 104.039,951 17.321,952 7.165,953 3.088,954 1.397,955 43.229,956 3.437,961 2.666,962 1.744,964 459.222,965 32,970 11.505,972 0.863,975 50.53,976 57.943,977 0.251,978 0.559,979 0.8,980 0.833,981 0.833,982 0.833,983 4.758,984 1.247,985 5.733,986 4.171,987 4.317,988 4.783,989 0.673,990 6.629,991 4.256,992 5.968,993 0.95,994 7.343,995 2.587,996 4.007,997 4.796,998 0.325,999 7.7,1000 3.887,1001 7.301,1002 0.668,1003 9.056,1004 2.117,1005 5.979,1006 7.08,1007 0.379,1008 10.867,1009 5.858,1010 8.678,1011 0.379,1012 10.829,1013 1.056,1014 6.509,1015 7.986,1016 0.268,1017 12.781,1018 6.343,1019 10.095,1020 -0.049,1021 12.641,1022 0.572,1023 7.967,1024 9.787,1025 0.239,1026 15.484,1027 7.796,1028 11.541,1029 -0.404,1030 14.479,1031 -0.118,1032 8.874,1033 11.082,1034 0.188,1035 17.748,1036 8.671,1037 13.011,1038 -0.445,1039 16.337,1040 -0.632,1041 10.148,1042 12.723,1043 0.156,1044 20.307,1045 9.935,1046 3.376,1047 -0.779,1048 18.211,1049 -1.124,1050 11.221,1051 14.181,1052 0.125,1053 22.717,1054 10.985,1055 2.871,1056 12.347,1057 20.097,1058 -1.597,1059 12.435,1060 15.77,1061 0.102,1062 25.235,1063 12.186,1064 2.528,1065 9.356,1066 21.994,1067 4.803,1068 13.581,1069 17.293,1070 0.082,1071 27.704,1072 13.312,1073 2.355,1074 8.444,1075 23.899,1076 3.481,1077 14.78,1078 18.867,1079 0.066,1080 30.213,1081 14.497,1082 1.757,1083 7.492,1084 25.812,1085 3.206,1086 15.958,1087 20.417,1088 0.054,1089 32.707,1090 15.657,1091 1.651,1092 5.019,1093 27.731,1094 2.767,1095 17.157,1096 21.986,1097 0.043,1098 35.215,1099 16.841,1100 1.559,1101 4.836,1102 29.656,1103 2.201,1104 18.351,1105 23.547,1106 0.035,1107 37.719,1108 18.017,1109 5296,1110 8047,1111 16.819,1112 32.302,1113 39.28,1114 41.042,1115 41.827,1116 38.911,1117 38.682,1118 47.716,1119 1.6,1120 115.997,1121 37.497,1122 5.749,1123 5.53,1124 6.91,1125 5.371,1126 5.376,1127 7.803,1128 1.2,1129 19.9,1130 5.309,1131 13.774,1132 1.511,1133 1.579,1134 1.609,1135 1.497,1136 1.488,1137 1.835,1138 0.062,1139 4.461,1140 1.442,1141 4.182,1142 4.21,1143 4.153,1144 4.102,1145 8.201,1146 4.11,1147 3.83,1148 3.895,1149 3.721,1150 3.675,1151 7.452,1152 3.678,1153 3.632,1154 3.697,1155 3.502,1156 3.493,1157 4.821,1158 3.485,1159 3.501,1160 3.586,1161 3.282,1162 3.348,1163 4.374,1164 3.32,1165 3.366,1166 3.406,1167 3.279,1168 3.222,1169 4.213,1170 3.224,1171 3.245,1172 3.313,1173 3.095,1174 3.012,1175 4.04,1176 3.019,1177 3.089,1178 3.179,1179 2.884,1180 2.907,1181 3.844,1182 2.892,1183 2.988,1184 3.078,1185 2.817,1186 2.76,1187 3.73,1188 2.752,1189 0.185,1190 0.136,1191 0.273,1192 0.168,1193 0.13,1194 4.804,1195 0.185,1196 3.53,1197 0.031,1198 7.108,1199 0.475,1200 4.355,1201 0.127,1202 3.376,1203 4.803,1204 0.8,1205 12.347,1206 3.309,1207 2.03,1208 2.008,1209 2.131,1210 2.119,1211 1.479,1212 2.124,1213 1.741,1214 1.678,1215 1.962,1216 1.935,1217 1.233,1218 1.943,1219 1.618,1220 1.566,1221 1.861,1222 1.829,1223 1.09,1224 1.827,1225 1.539,1226 1.471,1227 1.799,1228 1.738,1229 1.009,1230 1.785,1231 1.521,1232 1.459,1233 1.705,1234 1.675,1235 0.856,1236 1.688,1237 1.23,1238 1.161,1239 1.508,1240 1.448,1241 0.76,1242 1.468,1243 1.068,1244 0.987,1245 1.402,1246 1.33,1247 0.549,1248 1.359,1249 0.991,1250 0.893,1251 1.365,1252 1.249,1253 0.475,1254 1.292,1255 3.97,1257 5.303,1258 2.398,1259 6.853,1260 4.844,1261 8.514,1262 7.05,1263 10.238,1265 6.245,1267 14.535,1271 7.378,1275 0.491,1276 2.571,1280 29.989,1281 72.473,1282 161.745,1283 231.519,1284 241.029,1285 241.029,1286 241.029,1287 49.497,1288 7.296,1289 25.24,1290 25.24,1291 17,1292 12.696,1293 3.585,1294 2.807,1295 38.956,1296 73,1297 78,1298 0.271,1299 184.583,1300 319.34,1301 442.143,1302 12299,1303 2,1304 17.267,1305 0.719,1306 0.622,1307 16.397,1308 14.94,1309 11.6,1310 0.446,1311 0.349,1312 8.985,1313 11.203,1314 8.681,1315 7.263,1316 11.189,1317 9.087,1318 10.083,1319 0.273,1320 0.188,1321 9.534,1322 6.965,1323 8.745,1324 0.165,1325 0.1,1326 8.408,1327 5.279,1328 7.986,1329 0.105,1330 0.056,1331 7.445,1332 4.293,1333 6.608,1334 0.067,1335 0.032,1336 6.26,1337 3.2,1338 0.407,1339 72.408,1340 0.244,1341 22.688,1342 0.804,1343 126,1344 355.137,1345 135.766,1346 318.29,1347 430.33,1348 298,1349 153,1350 310.342,1351 163.746,1352 311.854,1353 462.51,1354 293,1355 6.378} {0 CHEMBL71395,1 1.299,2 8.043,3 4.563,4 20.819,5 96.969,6 6.127,7 0.4,8 3.982,9 4.124,10 3.386,11 3.529,12 4.885,13 3.46,14 4.586,15 4.803,16 3.739,17 3.952,18 5.396,19 3.852,20 4.867,21 5.114,22 3.842,23 4.129,24 5.659,25 4.005,26 4.961,27 5.207,28 3.872,29 4.221,30 5.737,31 4.076,32 5.079,33 5.35,34 3.782,35 4.255,36 5.784,37 4.069,38 5.111,39 5.409,40 3.659,41 4.18,42 5.814,43 3.971,44 4.993,45 5.308,46 3.436,47 4.011,48 5.686,49 3.785,50 4.724,51 5.029,52 3.232,53 3.779,54 5.435,55 3.569,56 0.058,57 0.719,58 12.483,59 5.128,60 7.301,61 7.42,62 0.145,63 1.201,64 22.641,65 8.57,66 15.441,67 12.743,68 0.236,69 1.494,70 29.88,71 10.945,72 28.097,73 16.305,74 0.276,75 1.635,76 32.682,77 12.495,78 27.753,79 18.432,80 0.224,81 1.746,82 36.108,83 14.269,84 27.328,85 20.896,86 0.291,87 1.704,88 37.091,89 14.161,90 35.725,91 20.813,92 0.313,93 1.462,94 32.826,95 12.255,96 36.238,97 18.161,98 0.2,99 1.144,100 25.135,101 9.305,102 23.689,103 13.845,104 31,105 35,106 0.221,107 0.532,108 0.765,109 0.803,110 0.803,111 0.803,112 3.19,113 1.082,114 -4.7,115 -4.62,116 -4.34,119 39.2,120 3,121 5,125 2,127 1,140 2,141 4,149 1,150 1,155 1,169 10,172 6,176 3,178 12,182 5,186 2,189 12,193 3,195 1,197 3,199 11,203 5,208 1,211 14,215 3,218 1,220 1,222 11,225 1,226 2,233 9,242 2,244 6,249 2,254 2,256 4,259 693,260 15.723,261 15.723,262 15.723,263 15.723,264 15.723,265 14.429,266 15.983,267 9.374,268 15.843,269 12.268,270 12.268,271 12.268,272 12.268,273 12.268,274 10.21,275 17.489,276 4.233,277 12.482,278 4.373,279 2.54,280 1.172,281 0.946,282 0.946,283 0.946,284 3.869,288 1,289 1,290 388,291 3.606,294 42.543,295 90.63,298 72.28,299 77.452,302 1.18,303 14.675,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 48,315 185,316 4.712,317 3.616,318 6.978,319 4.289,320 3.295,321 4.665,322 1.277,323 11.86,324 3.278,325 4.013,326 3.295,327 6.194,328 3.811,329 2.849,330 3.421,331 0.8,332 9.205,333 2.76,334 3.751,335 3.002,336 5.937,337 3.528,338 2.54,339 3.018,341 8.226,342 2.491,343 3.579,344 2.557,345 5.456,346 3.177,347 2.181,348 2.749,350 6.684,351 2.162,352 3.103,353 1.98,354 4.751,355 2.725,356 1.726,357 2.302,359 4.913,360 1.722,361 2.674,362 1.7,363 4.419,364 2.587,365 1.608,366 1.687,368 4.265,369 1.571,370 2.632,371 1.599,372 3.87,373 2.237,374 1.247,375 1.628,377 2.798,378 1.233,379 2.247,380 1.298,381 3.623,382 2.179,383 1.167,384 1.247,386 2.165,387 1.174,388 2.156,389 0.915,390 3.254,391 1.814,392 0.834,393 1.018,395 2.117,396 0.815,397 1.989,398 0.856,399 3.247,400 1.71,401 0.733,402 0.899,404 1.597,405 0.714,406 1.649,407 0.674,408 2.828,409 1.53,410 0.546,411 0.611,413 0.953,414 0.536,415 0.892,416 0.297,417 2.538,418 0.638,419 -0.348,420 -0.4,422 -0.632,423 -0.342,424 0.775,425 -0.176,426 2.319,427 0.521,428 -0.445,429 -0.445,431 -0.832,432 -0.428,433 0.555,434 -0.287,435 2.229,436 0.408,437 -0.585,438 -0.698,440 -1.617,441 -0.578,442 0.441,443 -0.426,444 2,445 0.1,446 -0.943,447 -1.054,449 -1.892,450 -0.931,451 11.133,452 0.484,453 0.521,454 0.023,455 23.5,456 1.022,457 9.5,458 0.413,459 14,460 0.609,461 24.943,462 1.084,463 26.067,464 0.511,465 14.557,466 0.633,467 4.026,468 0.175,469 7.125,470 0.31,471 0.165,473 0.35,479 0.753,480 1.368,481 0.994,482 1.194,483 0.581,484 1.122,485 0.885,486 1.132,487 0.944,488 1.011,489 0.522,490 0.977,491 1.167,492 1.001,493 0.983,494 0.928,495 0.932,496 0.933,497 0.863,498 1.078,499 1.055,500 1.076,501 0.682,502 1.076,503 0.718,504 1.127,505 1.038,506 1.146,507 0.651,508 1.122,509 0.819,510 0.999,511 0.963,512 1.026,513 0.893,514 1.012,515 0.872,516 0.878,517 0.926,518 0.909,519 1.008,520 0.923,521 0.969,522 0.915,523 0.986,524 0.953,525 0.94,526 0.965,527 4,529 2.889,530 1.438,531 1.508,532 0.806,533 0.58,534 0.405,535 0.227,536 0.161,537 4782,538 8931,539 2.041,540 54.9,541 8,542 7,543 1,545 1,546 3,547 8,550 1.664,551 1.89,552 3.04,553 -0.412,559 66.249,560 1.299,561 3.132,562 4.5,563 4.726,564 4.726,565 4.726,566 2.442,567 3.882,568 4.493,569 3.162,570 799.977,571 7.776,572 8864.85,574 1,577 289.294,578 1.478,579 4.443,580 0.16,582 0.083,583 0.038,584 0.04,585 0.024,586 0.021,587 0.018,588 0.013,589 0.013,590 0.41,591 0.5,592 1,593 1.522,594 105.239,595 0.015,596 -0.097,597 0.055,598 -0.01,599 -0.011,600 0.019,601 -0.004,602 0.016,603 0.079,604 0.053,605 0.067,606 0.072,607 -0.08,608 0.074,609 0.035,610 0.084,611 -0.001,612 0.072,613 0.029,614 -0.007,615 -0.057,616 -0.047,617 0.049,618 -0.056,619 -0.001,620 -0.132,621 -0.077,622 -0.131,623 0.019,624 -0.113,625 0.044,626 -0.064,627 -0.006,628 -0.06,629 -0.004,630 -0.042,631 0.057,632 0.025,633 0.027,634 0.03,635 -0.028,636 0.026,637 -0.046,638 0.021,639 -0.024,640 -0.006,641 -0.039,642 -0.01,643 1.509,644 4.996,645 0.565,646 16.647,647 0.981,648 1.129,649 3.474,650 12.072,651 0.635,652 3.258,653 3.584,654 3.912,655 4.234,656 4.489,657 4.625,658 4.771,659 4.934,660 4.977,661 4.913,662 5.088,663 0.581,664 312.5,665 3.258,666 4.796,667 5.666,668 6.567,669 7.467,670 8.378,671 9.288,672 10.204,673 11.119,674 12.038,675 3.9,678 1,683 1,687 2,688 3,690 1,693 3,695 10,700 1,714 51,716 11,717 1,718 25,720 53,721 20,722 8,723 4,724 2,725 1,730 3,731 6,736 3,740 4,743 6,745 9,746 11,750 1,755 1,759 1,761 1,764 28,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,827 23,833 7,837 1,838 1,847 2,850 1,854 12.167,855 9.95,856 5.25,857 3.711,858 2.23,859 1.31,860 0.968,861 4.985,862 9.432,863 3.466,864 4.047,865 4.681,866 5.329,867 5.864,868 6.266,869 6.634,870 7.046,871 7.169,872 7.311,873 1,874 38,875 8.576,877 3.577,878 7.471,879 17.189,881 14.522,883 1.971,884 45.333,885 0.001,887 1,888 317.82,889 90.767,890 19.91,892 25.145,895 90.767,896 342.965,897 19.91,898 26.476,899 16.884,900 28,901 30.278,902 32.04,903 13.915,904 306.049,906 317.82,907 110.677,908 25.145,911 223.651,912 119.314,915 63.27,916 47.407,919 317.82,920 45.055,921 90.767,924 317.82,925 36.291,926 57.6,927 16.786,928 25.145,929 317.82,930 45.055,931 90.767,933 0.568,934 0.345,935 0.204,936 0.117,937 17,938 8,939 0.113,940 6,941 2,942 1.308,943 3.369,944 189.455,945 0.308,946 13,947 98.042,951 16.417,952 6.983,953 3.131,954 2.278,955 28.269,956 6.266,958 3.28,961 3.696,963 16.786,964 453.641,965 31,970 11.996,974 0.158,975 50.018,976 57.604,977 0.229,978 0.552,979 0.793,980 0.833,981 0.833,982 0.833,983 4.714,984 1.167,985 5.659,986 2.798,987 4.263,988 4.732,989 1.653,990 6.526,991 4.232,992 5.91,993 0.834,994 7.251,995 2.165,996 3.892,997 4.663,998 0.325,999 7.561,1000 3.858,1001 7.23,1002 0.733,1003 8.948,1004 2.117,1005 5.894,1006 6.976,1007 1.915,1008 10.704,1009 5.833,1010 8.593,1011 0.546,1012 10.708,1013 1.597,1014 6.382,1015 7.816,1016 0.268,1017 12.587,1018 6.319,1019 9.995,1020 -0.348,1021 12.507,1022 0.953,1023 7.85,1024 9.626,1025 2.299,1026 15.257,1027 7.769,1028 11.425,1029 -0.445,1030 14.334,1031 -0.632,1032 8.719,1033 10.866,1034 0.188,1035 17.481,1036 8.636,1037 12.877,1038 -0.585,1039 16.18,1040 -0.832,1041 9.989,1042 12.5,1043 2.732,1044 20.004,1045 9.895,1046 3.295,1047 -0.943,1048 18.04,1049 -1.617,1050 11.028,1051 13.913,1052 0.125,1053 22.37,1054 10.933,1055 2.849,1056 11.86,1057 19.913,1058 -1.892,1059 12.227,1060 15.485,1061 3.189,1062 24.849,1063 12.126,1064 2.54,1065 9.205,1066 21.795,1067 4.665,1068 13.342,1069 16.971,1070 0.082,1071 27.275,1072 13.239,1073 2.181,1074 8.226,1075 23.685,1076 3.421,1077 14.52,1078 18.521,1079 3.66,1080 29.743,1081 14.413,1082 1.726,1083 6.684,1084 25.582,1085 3.018,1086 15.669,1087 20.038,1088 0.054,1089 32.194,1090 15.561,1091 1.608,1092 4.913,1093 27.485,1094 2.749,1095 16.844,1096 21.581,1097 4.139,1098 34.661,1099 16.733,1100 1.247,1101 4.265,1102 29.392,1103 2.302,1104 18.01,1105 23.111,1106 0.035,1107 37.123,1108 17.898,1109 4835,1110 6746,1111 16.414,1112 32.364,1113 37.732,1114 38.163,1115 39.515,1116 37.437,1117 37.451,1118 46.488,1119 4.155,1120 109.567,1121 36.911,1122 5.657,1123 5.616,1124 6.78,1125 5.305,1126 5.295,1127 7.665,1128 2.555,1129 19.196,1130 5.278,1131 12.107,1132 1.509,1133 1.527,1134 1.581,1135 1.497,1136 1.498,1137 1.86,1138 0.166,1139 4.383,1140 1.476,1141 4.169,1142 4.198,1143 4.13,1144 4.096,1145 7.428,1146 4.101,1147 3.824,1148 3.889,1149 3.715,1150 3.671,1151 4.934,1152 3.674,1153 3.633,1154 3.691,1155 3.506,1156 3.497,1157 4.384,1158 3.49,1159 3.501,1160 3.586,1161 3.316,1162 3.348,1163 4.234,1164 3.32,1165 3.443,1166 3.492,1167 3.279,1168 3.286,1169 4.04,1170 3.282,1171 3.232,1172 3.308,1173 3.079,1174 3.056,1175 3.948,1176 3.051,1177 3.041,1178 3.134,1179 2.846,1180 2.867,1181 3.759,1182 2.852,1183 3,1184 3.097,1185 2.782,1186 2.797,1187 3.613,1188 2.78,1189 0.188,1190 0.145,1191 0.279,1192 0.172,1193 0.132,1194 4.712,1195 0.187,1196 3.616,1197 0.051,1198 6.978,1199 0.474,1200 4.289,1201 0.131,1202 3.295,1203 4.665,1204 1.277,1205 11.86,1206 3.278,1207 2.033,1208 2.01,1209 2.14,1210 2.116,1211 1.479,1212 2.126,1213 1.741,1214 1.678,1215 1.966,1216 1.926,1217 1.233,1218 1.941,1219 1.614,1220 1.579,1221 1.861,1222 1.807,1223 1.09,1224 1.796,1225 1.539,1226 1.467,1227 1.783,1228 1.738,1229 1.008,1230 1.785,1231 1.531,1232 1.459,1233 1.751,1234 1.707,1235 0.827,1236 1.73,1237 1.198,1238 1.117,1239 1.487,1240 1.45,1241 0.745,1242 1.471,1243 1.167,1244 1.094,1245 1.484,1246 1.376,1247 0.574,1248 1.419,1249 0.987,1250 0.883,1251 1.366,1252 1.246,1253 0.511,1254 1.294,1255 3.932,1257 5.252,1258 2.398,1259 6.786,1260 4.727,1261 8.427,1262 6.862,1263 10.128,1265 6.193,1271 8.2,1275 0.614,1276 2.655,1280 29.606,1281 66.249,1282 159.745,1283 229.519,1284 241.029,1285 241.029,1286 241.029,1287 37.167,1288 7.201,1289 36.1,1290 36.1,1291 17,1292 12.548,1293 3.585,1294 2.807,1295 36.552,1296 69,1297 72,1298 0.267,1299 183.385,1300 313.27,1301 439.219,1302 11275,1304 16.397,1305 0.713,1306 0.635,1307 16.397,1308 14.615,1309 11.151,1310 0.446,1311 0.361,1312 8.959,1313 10.907,1314 8.636,1315 7.237,1316 11.151,1317 9.021,1318 9.734,1319 0.278,1320 0.195,1321 9.734,1322 6.817,1323 8.243,1324 0.168,1325 0.105,1326 8.243,1327 5.155,1328 7.268,1329 0.107,1330 0.06,1331 7.268,1332 4.109,1333 6.023,1334 0.068,1335 0.035,1336 6.023,1337 3.09,1338 0.402,1339 68.515,1340 0.247,1341 21.952,1342 0.788,1343 120,1344 257.714,1345 126.239,1346 254.445,1347 356.95,1348 240,1349 144,1350 268.073,1351 150.49,1352 273.942,1353 405.2,1354 260,1355 6.967} {0 CHEMBL71409,1 1.219,2 7.222,3 3.95,4 15.606,5 77.294,6 6.06,7 0.5,8 3.754,9 3.899,10 3.165,11 3.309,12 4.62,13 3.24,14 4.35,15 4.568,16 3.51,17 3.742,18 5.101,19 3.641,20 4.619,21 4.87,22 3.547,23 3.911,24 5.304,25 3.766,26 4.724,27 4.993,28 3.45,29 3.945,30 5.369,31 3.759,32 4.759,33 5.067,34 3.234,35 3.843,36 5.329,37 3.61,38 4.595,39 4.926,40 3.046,41 3.613,42 5.16,43 3.382,44 4.289,45 4.596,46 2.769,47 3.381,48 4.923,49 3.156,50 4.071,51 4.388,52 2.334,53 3.097,54 4.695,55 2.836,56 0.054,57 0.579,58 9.974,59 3.931,60 6.857,61 5.831,62 0.122,63 0.972,64 17.926,65 6.636,66 10.825,67 10.046,68 0.149,69 1.195,70 23.015,71 8.84,72 14.021,73 13.222,74 0.148,75 1.269,76 25.163,77 10.059,78 15.351,79 14.859,80 0.142,81 1.222,82 25.488,83 10.225,84 15.993,85 15.121,86 0.169,87 1.015,88 21.625,89 8.167,90 15.134,91 12.263,92 0.103,93 0.766,94 15.968,95 6.152,96 12.502,97 9.206,98 0.087,99 0.597,100 12.732,101 4.825,102 10.898,103 7.261,104 8,105 28,106 0.22,107 0.561,108 0.804,109 0.861,110 0.87,111 0.87,112 2.962,113 1.061,114 -4.42,115 -4.35,116 -4.1,119 40,120 1,121 4,124 1,125 1,127 1,140 3,141 3,149 1,150 1,169 9,172 3,176 3,178 11,182 3,186 2,189 11,193 2,197 2,199 7,203 2,208 1,211 5,215 1,218 1,220 1,222 4,233 4,242 1,244 3,254 1,256 1,259 330,260 12.439,261 12.439,262 12.439,263 12.439,264 12.439,265 11.281,266 11.974,267 7.374,268 12.611,269 9.835,270 9.835,271 9.835,272 9.835,273 9.835,274 8.065,275 13.88,276 3.393,277 10.11,278 4.103,279 2.206,280 0.857,281 0.538,282 0.488,283 0.488,284 3.641,287 1,288 1,289 1,290 283,291 2.739,294 30.597,295 64.978,298 51.9,299 55.58,302 1.136,303 5.451,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 37,315 130,316 4.593,317 3.334,318 6.721,319 4.172,320 3.181,321 4.525,322 0.8,323 10.952,324 3.153,325 3.888,326 2.953,327 6.026,328 3.69,329 2.741,330 3.291,332 8.589,333 2.605,334 3.615,335 2.52,336 5.677,337 3.318,338 2.347,339 2.703,341 7.469,342 2.275,343 3.181,344 1.957,345 4.766,346 2.758,347 1.768,348 2.471,350 5.043,351 1.749,352 2.646,353 1.629,354 4.215,355 2.512,356 1.538,357 1.707,359 3.829,360 1.496,361 2.576,362 1.315,363 3.788,364 2.205,365 1.224,366 1.579,368 2.858,369 1.199,370 2.094,371 0.959,372 3.427,373 1.864,374 0.884,375 0.993,377 2.058,378 0.864,379 2,380 0.914,381 3.181,382 1.774,383 0.805,384 0.931,386 1.561,387 0.778,388 1.788,389 0.587,390 2.918,391 1.502,392 0.528,393 0.686,395 1.171,396 0.513,397 0.89,398 -0.191,399 2.509,400 0.63,401 -0.354,402 -0.406,404 -0.762,405 -0.348,406 0.632,407 -0.395,408 2.293,409 0.358,410 -0.603,411 -0.616,413 -1.082,414 -0.575,415 0.42,416 -0.529,417 2.179,418 0.296,419 -0.693,420 -0.809,422 -1.902,423 -0.684,424 0.24,425 -0.97,426 1.852,427 -0.043,428 -1.031,429 -1.364,431 -2.984,432 -1.016,433 -0.081,434 -1.165,435 1.522,436 -0.385,437 -1.342,438 -1.509,440 -3.366,441 -1.28,442 -0.164,443 -1.387,444 1.406,445 -0.605,446 -1.556,447 -1.756,449 -3.973,450 -1.477,451 8.8,452 0.489,453 0.38,454 0.021,455 19.25,456 1.069,457 8,458 0.444,459 11.25,460 0.625,461 16.493,462 0.916,463 20,464 0.5,465 10.329,466 0.574,467 3.412,468 0.19,469 5.38,470 0.299,471 0.114,473 0.33,479 1.116,480 1.363,481 1.011,482 1.152,483 1.066,484 1.088,485 1.45,486 1.064,487 1.013,488 0.952,489 0.895,490 0.954,491 1.22,492 1.033,493 1.056,494 1.014,495 0.885,496 1.022,497 0.96,498 1.087,499 1.102,500 1.123,501 0.972,502 1.122,503 0.659,504 1.054,505 0.963,506 1.063,507 0.912,508 1.038,509 0.823,510 0.83,511 0.852,512 0.848,513 0.779,514 0.851,515 1.019,516 0.967,517 1.041,518 1.011,519 1.133,520 1.025,521 1.137,522 0.993,523 1.142,524 1.075,525 1.48,526 1.103,527 3,529 2.444,530 0.938,531 0.898,532 0.521,533 0.275,534 0.181,535 0.064,536 0.04,537 2639,538 4411,539 2.12,540 55,541 5,542 9,543 1,545 1,547 6,550 1.59,551 2,552 2.874,553 -0.389,555 1,559 48.77,560 1.219,561 3.116,562 4.465,563 4.784,564 4.834,565 4.834,566 2.281,567 3.948,568 4.141,569 2.959,570 452.71,571 7.042,572 4140.9,574 1,576 1,577 212.877,578 1.352,579 4.109,580 0.15,582 0.087,583 0.033,584 0.037,585 0.029,586 0.018,587 0.016,588 0.011,589 0.013,590 0.396,591 0.83,592 1,593 1.279,594 74.873,595 0.067,596 -0.118,597 0.073,598 -0.013,599 0.053,600 0.023,601 -0.091,602 0.082,603 0.041,604 0.085,605 0.063,606 0.074,607 -0.109,608 0.027,609 -0.045,611 0.01,612 -0.015,613 -0.087,614 -0.088,615 -0.125,616 -0.115,617 -0.094,618 -0.121,619 0.057,620 -0.147,621 -0.023,622 -0.095,623 -0.04,624 -0.07,625 0.152,626 0.066,627 0.096,628 0.072,629 0.143,630 0.079,631 -0.087,632 -0.033,633 -0.085,634 -0.061,635 -0.081,636 -0.07,637 -0.162,638 -0.078,639 -0.192,640 -0.146,641 -0.277,642 -0.167,643 0.613,644 0.825,645 0.722,646 10.815,647 0.976,648 1.129,649 3.188,650 10.16,651 0.641,652 3.045,653 3.367,654 3.689,655 3.97,656 4.19,657 4.317,658 4.443,659 4.522,660 4.489,661 4.331,662 4.372,663 0.583,664 242.4,665 3.045,666 4.575,667 5.442,668 6.33,669 7.219,670 8.115,671 9.012,672 9.912,673 10.812,674 11.714,675 5,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 40,716 10,717 1,718 20,720 42,721 16,722 8,723 4,724 2,730 3,731 6,736 1,740 4,743 5,745 8,746 8,761 1,764 22,765 1,766 1,767 2,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 18,833 5,837 1,838 1,854 9,855 7.617,856 4.028,857 2.756,858 2.116,859 1.317,860 0.994,861 3.23,862 8.797,863 3.258,864 3.855,865 4.49,866 5.107,867 5.591,868 5.962,869 6.328,870 6.671,871 6.605,872 6.676,873 0.8,874 28,875 6.691,877 2.788,878 7.278,879 13.629,881 11.66,883 1.778,884 32,885 0.006,888 247.193,889 78.03,890 19.91,895 78.03,896 247.193,897 19.91,898 17.222,899 12.244,900 37.476,902 28.854,903 13.915,904 235.422,906 247.193,907 97.94,911 176.567,912 70.627,915 40.979,916 56.961,919 247.193,920 19.91,921 78.03,924 247.193,925 23.332,926 57.822,927 16.786,929 247.193,930 19.91,931 78.03,933 0.574,934 0.349,935 0.194,936 0.101,937 15,938 6,939 0.071,940 3,941 2,942 1.308,943 3.038,944 133.806,945 0.308,946 13,947 75.059,951 11.945,952 4.868,953 2.143,954 2.717,955 3.124,956 8.829,958 3.325,961 3.135,963 16.786,964 345.133,965 25,975 39.04,976 45.149,977 0.229,978 0.585,979 0.839,980 0.899,981 0.908,982 0.908,983 4.494,984 0.805,985 5.425,986 2.058,987 4.043,988 4.538,989 0.673,990 6.263,991 3.994,992 5.683,993 0.528,994 6.999,995 1.561,996 3.611,997 4.388,998 0.325,999 7.222,1000 3.531,1001 6.993,1002 -0.354,1003 8.676,1004 1.171,1005 5.652,1006 6.783,1007 0.379,1008 10.345,1009 5.561,1010 8.345,1011 -0.603,1012 10.416,1013 -0.762,1014 6.089,1015 7.561,1016 0.268,1017 12.141,1018 5.973,1019 9.737,1020 -0.693,1021 12.194,1022 -1.082,1023 7.571,1024 9.409,1025 0.239,1026 14.772,1027 7.448,1028 11.155,1029 -1.031,1030 13.998,1031 -1.902,1032 8.395,1033 10.598,1034 0.188,1035 16.903,1036 8.256,1037 12.595,1038 -1.342,1039 15.821,1040 -2.984,1041 9.66,1042 12.24,1043 0.156,1044 19.371,1045 9.516,1046 3.181,1047 -1.556,1048 17.656,1049 -3.366,1050 10.659,1051 13.611,1052 0.125,1053 21.645,1054 10.506,1055 2.741,1056 10.952,1057 19.502,1058 -3.973,1059 11.842,1060 15.172,1061 0.102,1062 24.059,1063 11.685,1064 2.347,1065 8.589,1066 21.355,1067 4.525,1068 12.92,1069 16.622,1070 0.082,1071 26.396,1072 12.756,1073 1.768,1074 7.469,1075 23.216,1076 3.291,1077 14.074,1078 18.152,1079 0.066,1080 28.792,1081 13.907,1082 1.538,1083 5.043,1084 25.081,1085 2.703,1086 15.188,1087 19.635,1088 0.054,1089 31.158,1090 15.016,1091 1.224,1092 3.829,1093 26.952,1094 2.471,1095 16.334,1096 21.152,1097 0.043,1098 33.549,1099 16.159,1100 0.884,1101 2.858,1102 28.826,1103 1.707,1104 17.466,1105 22.65,1106 0.035,1107 35.929,1108 17.286,1109 2618,1110 3463,1111 13.523,1112 25.625,1113 30.263,1114 30.031,1115 31.037,1116 30.041,1117 30.03,1118 37.77,1119 1.6,1120 87.057,1121 29.267,1122 5.538,1123 5.334,1124 6.49,1125 5.178,1126 5.181,1127 7.525,1128 1.2,1129 18.164,1130 5.153,1131 7.167,1132 1.513,1133 1.502,1134 1.552,1135 1.502,1136 1.502,1137 1.889,1138 0.08,1139 4.353,1140 1.463,1141 4.152,1142 4.185,1143 4.105,1144 4.078,1145 4.968,1146 4.081,1147 3.79,1148 3.859,1149 3.676,1150 3.633,1151 4.397,1152 3.634,1153 3.582,1154 3.654,1155 3.428,1156 3.436,1157 4.233,1158 3.423,1159 3.334,1160 3.412,1161 3.172,1162 3.198,1163 3.983,1164 3.184,1165 3.15,1166 3.237,1167 2.939,1168 2.958,1169 3.822,1170 2.941,1171 3.036,1172 3.123,1173 2.845,1174 2.872,1175 3.565,1176 2.854,1177 2.785,1178 2.897,1179 2.579,1180 2.619,1181 3.351,1182 2.599,1183 2.73,1184 2.833,1185 2.382,1186 2.491,1187 3.203,1188 2.446,1189 0.23,1190 0.167,1191 0.336,1192 0.209,1193 0.159,1194 4.593,1195 0.226,1196 3.334,1197 0.04,1198 6.721,1199 0.548,1200 4.172,1201 0.158,1202 3.181,1203 4.525,1204 0.8,1205 10.952,1206 3.153,1207 2.028,1208 2.003,1209 2.138,1210 2.112,1211 1.469,1212 2.123,1213 1.702,1214 1.636,1215 1.936,1216 1.896,1217 1.181,1218 1.91,1219 1.537,1220 1.468,1221 1.768,1222 1.746,1223 0.998,1224 1.756,1225 1.464,1226 1.407,1227 1.653,1228 1.633,1229 0.795,1230 1.654,1231 1.257,1232 1.168,1233 1.597,1234 1.496,1235 0.674,1236 1.536,1237 1.084,1238 0.997,1239 1.419,1240 1.301,1241 0.599,1242 1.346,1243 0.853,1244 0.778,1245 1.281,1246 1.111,1247 0.422,1248 1.177,1249 0.808,1250 0.682,1251 1.13,1252 1.062,1253 0.315,1254 1.095,1255 3.714,1257 5.03,1258 2.398,1259 6.561,1260 4.595,1261 8.196,1262 6.605,1263 9.887,1265 4.536,1271 6.201,1275 0.72,1276 2.536,1280 23.311,1281 48.77,1282 124.635,1283 178.612,1284 191.367,1285 193.367,1286 193.367,1287 19.317,1288 6.681,1289 19.03,1290 19.03,1291 17,1292 12.235,1293 3.459,1294 2.585,1295 25.661,1296 47,1297 54,1298 0.283,1299 143.947,1300 237.92,1301 342.99,1302 5977,1304 12.535,1305 0.696,1306 0.632,1307 12.535,1308 11.369,1309 8.792,1310 0.44,1311 0.354,1312 7.022,1313 8.613,1314 6.778,1315 5.668,1316 8.792,1317 7.074,1318 7.695,1319 0.275,1320 0.197,1321 7.695,1322 5.519,1323 6.813,1324 0.175,1325 0.111,1326 6.813,1327 4.329,1328 5.809,1329 0.112,1330 0.063,1331 5.809,1332 3.287,1333 4.474,1334 0.069,1335 0.035,1336 4.474,1337 2.282,1338 0.422,1339 53.866,1340 0.272,1341 17.701,1342 0.834,1343 96,1344 177.978,1345 99.802,1346 180.559,1347 261.02,1348 172,1349 115,1350 202.085,1351 119.33,1352 209.38,1353 307.97,1354 198,1355 6.77} {0 CHEMBL7143,1 1.379,2 7,3 2.647,4 7.009,5 71.746,6 6.28,7 0.556,8 3.675,9 3.815,10 3.1,11 3.157,12 4.658,13 3.11,14 4.225,15 4.45,16 3.406,17 3.525,18 5.082,19 3.46,20 4.337,21 4.535,22 3.416,23 3.683,24 5.208,25 3.574,26 4.556,27 4.828,28 3.295,29 3.718,30 5.275,31 3.545,32 4.482,33 4.772,34 3.213,35 3.574,36 5.197,37 3.398,38 4.349,39 4.62,40 3.102,41 3.445,42 5.115,43 3.293,44 4.259,45 4.514,46 2.686,47 3.31,48 5.06,49 3.103,50 4.217,51 4.587,52 2.232,53 3.007,54 4.758,55 2.696,56 0.043,57 0.521,58 9.072,59 3.398,60 8.126,61 4.998,62 0.17,63 0.801,64 15.984,65 5.183,66 14.922,67 7.894,68 0.133,69 0.919,70 17.63,71 6.604,72 15.597,73 9.685,74 0.148,75 1.013,76 21.518,77 8.057,78 17.871,79 12.011,80 0.209,81 0.905,82 20.04,83 7.264,84 18.536,85 10.884,86 0.169,87 0.802,88 17.786,89 5.861,90 17.535,91 8.981,92 0.254,93 0.718,94 16.515,95 5.182,96 20.698,97 7.955,98 0.116,99 0.56,100 14.945,101 5.266,102 16.091,103 8.057,104 23,105 25,106 0.254,107 0.584,108 0.782,109 0.806,110 0.806,111 0.806,112 2.909,113 0.986,114 -3.34,115 -3.33,116 -3.19,119 37.8,120 1,121 1,124 3,125 1,140 3,141 2,142 1,150 2,169 4,172 3,176 4,178 5,182 3,186 3,189 6,193 2,199 4,203 3,206 2,211 2,215 2,225 1,226 1,259 309,260 11.232,261 11.232,262 11.232,263 11.232,264 11.232,265 10.049,266 11.913,267 6.573,268 11.586,269 8.809,270 8.809,271 8.809,272 8.809,273 8.809,274 6.933,275 11.557,276 3.051,277 9.265,278 3.831,279 2.041,280 0.967,281 0.838,282 0.838,283 0.838,284 3.557,287 1,288 1,289 1,290 241,291 2.915,294 34.419,295 40.916,298 63.657,302 1.059,303 6.923,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 36,315 119,316 4.632,317 3.311,318 6.729,319 4.174,320 3.192,321 4.589,322 0.86,323 10.966,324 3.136,325 3.798,326 2.787,327 5.545,328 3.403,329 2.449,330 3.254,331 0.8,332 7.164,333 2.336,334 3.403,335 2.564,336 5.185,337 3.129,338 2.211,339 2.729,341 6.21,342 2.029,343 3.18,344 2.173,345 4.757,346 2.917,347 1.961,348 2.309,350 5.145,351 1.862,352 3.062,353 1.856,354 4.625,355 2.621,356 1.656,357 2.182,359 4.803,360 1.594,361 2.316,362 1.182,363 3.653,364 1.999,365 1.014,366 1.263,368 2.496,369 0.998,370 1.772,371 1.095,372 3.009,373 1.501,374 0.599,375 0.682,377 1.143,378 0.533,379 1.468,380 0.435,381 2.78,382 1.208,383 0.28,384 0.326,386 0.525,387 0.259,388 0.908,389 0.047,390 2.384,391 0.636,392 -0.316,393 -0.364,395 -0.687,396 -0.299,397 0.627,398 -0.498,399 2.222,400 0.176,401 -0.803,402 -1,404 -2,405 -0.773,406 0.451,407 -0.6,408 2,409 0.084,410 -0.873,411 -1.038,413 -2,414 -0.834,416 -0.648,417 1.676,418 -0.1,419 -1,420 -1.117,422 -2.56,423 -0.9,424 -0.081,425 -0.98,426 1.422,427 -0.262,428 -1.218,429 -1.448,431 -3.382,432 -1.161,433 -0.309,434 -1.236,435 1.102,436 -0.698,437 -1.575,438 -1.824,440 -4.065,441 -1.386,442 -0.338,443 -1.534,444 1,445 -0.742,446 -1.714,447 -2.097,449 -4.804,450 -1.651,451 8.133,452 0.478,453 0.473,454 0.028,455 19.25,456 1.132,457 8.5,458 0.5,459 10.75,460 0.632,461 13.612,462 0.801,463 19.467,464 0.526,465 11.988,466 0.705,467 4.032,468 0.237,469 4.081,470 0.24,471 0.246,473 0.357,479 0.983,480 1.527,481 0.971,482 1.284,483 1.029,484 1.145,485 1.506,486 0.841,487 0.904,488 0.7,489 0.954,490 0.722,491 1.116,492 1.227,493 1.201,494 1.224,495 1.112,496 1.218,497 0.684,498 1.098,499 0.992,500 1.118,501 0.843,502 1.092,503 0.497,504 0.995,505 0.841,506 1.023,507 0.677,508 0.978,509 1.2,510 1.095,511 1.045,512 1.032,513 0.969,514 1.023,515 1.655,516 1.169,517 1.603,518 1.3,519 1.867,520 1.424,521 0.425,522 0.758,523 0.657,524 0.814,525 0.519,526 0.77,527 4,529 2,530 1.451,531 0.813,532 0.702,533 0.35,534 0.128,535 0.09,537 2043,538 4291,539 1.96,540 54.1,542 14,545 1,546 3,547 2,550 1.574,551 1.789,552 2.83,553 -0.314,555 1,556 1,557 1,559 51.008,560 1.379,561 3.169,562 4.243,563 4.371,564 4.371,565 4.371,566 2.257,567 3.175,568 4.053,569 2.938,570 399.594,571 6.877,572 3576.11,573 1,574 1,576 1,577 192.75,578 1.549,579 3.989,580 0.222,582 0.08,583 0.06,584 0.041,585 0.039,586 0.022,587 0.016,588 0.018,590 0.498,591 0.83,592 1,593 1.576,594 69.535,595 0.02,596 -0.247,597 0.063,598 -0.118,599 -0.033,600 -0.037,601 -0.163,602 0.286,603 0.144,604 0.306,605 0.099,606 0.269,607 -0.151,608 -0.071,609 -0.2,610 -0.132,611 -0.152,612 -0.165,613 -0.004,614 -0.113,615 -0.05,616 -0.106,617 -0.041,618 -0.086,619 0.24,620 -0.052,621 0.103,622 -0.05,623 0.145,624 0.001,625 -0.086,626 -0.115,627 -0.055,628 -0.076,629 0.039,630 -0.064,631 -0.243,632 -0.146,633 -0.585,634 -0.365,635 -0.555,636 -0.492,637 0.163,638 -0.02,639 0.236,640 0.063,641 0.272,642 0.146,643 0.748,644 1.788,645 0.529,646 11.384,647 0.986,648 1.134,649 2.114,650 4.47,651 0.63,652 2.944,653 3.258,654 3.497,655 3.761,656 3.97,657 4.025,658 4.025,659 4.007,660 3.611,661 3.219,662 4.334,663 0.581,664 232.36,665 2.944,666 4.466,667 5.303,668 6.184,669 7.055,670 7.947,671 8.832,672 9.728,673 10.619,674 11.518,675 5.4,678 1,683 1,687 2,688 3,690 1,693 3,695 10,712 1,714 37,716 10,717 1,718 18,720 38,721 14,722 8,723 3,724 3,730 2,731 3,736 1,743 1,745 8,746 6,761 1,764 20,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,815 1,819 1,823 4,827 17,833 2,835 1,838 1,847 2.7,852 1,854 9.5,855 7.867,856 3.833,857 2.09,858 2.102,859 1.345,860 0.953,861 3.622,862 8.193,863 3.178,864 3.812,865 4.438,866 5.089,867 5.617,868 5.929,869 6.269,870 6.559,871 6.17,872 5.901,873 0.8,874 24,875 6.261,877 2.474,878 7.461,879 12.33,881 9.687,883 1.961,884 33.333,885 0.004,888 223.651,889 85.473,890 19.91,892 11,895 85.473,896 234.651,897 19.91,898 36.501,899 4.64,900 28.429,902 41.912,903 4.901,904 223.651,906 223.651,907 105.383,908 11,911 200.109,912 34.542,915 33.375,916 72.007,919 223.651,920 30.91,921 85.473,924 223.651,925 20.543,926 68.054,927 16.786,928 11,929 223.651,930 30.91,931 85.473,933 0.577,934 0.325,935 0.173,936 0.104,937 12,938 6,939 0.105,940 4,941 1,942 1.222,943 2.86,944 115.387,945 0.222,946 9,947 67.487,951 12.305,952 5.004,953 2.574,954 2.473,955 14.124,956 6.193,958 3.428,961 3.574,963 16.786,964 340.034,965 23,975 36.483,976 41.943,977 0.265,978 0.608,979 0.814,980 0.839,981 0.839,982 0.839,983 4.401,984 0.28,985 5.303,986 1.143,987 3.932,988 4.494,989 1.235,990 6.12,991 3.849,992 5.623,993 -0.316,994 6.87,995 0.525,996 3.611,997 4.477,998 0.325,999 7.066,1000 3.496,1001 6.946,1002 -0.803,1003 8.536,1004 -0.687,1005 5.525,1006 6.799,1007 0.938,1008 10.159,1009 5.389,1010 8.31,1011 -0.873,1012 10.261,1013 -2,1014 5.994,1015 7.627,1016 0.268,1017 11.962,1018 5.839,1019 9.711,1020 -1,1021 12.024,1022 -2,1023 7.428,1024 9.466,1025 0.732,1026 14.599,1027 7.262,1028 11.137,1029 -1.218,1030 13.816,1031 -2.56,1032 8.271,1033 10.685,1034 0.188,1035 16.765,1036 8.094,1037 12.586,1038 -1.575,1039 15.63,1040 -3.382,1041 9.523,1042 12.333,1043 0.57,1044 19.246,1045 9.337,1046 3.192,1047 -1.714,1048 17.462,1049 -4.065,1050 10.542,1051 13.729,1052 0.125,1053 21.556,1054 10.346,1055 2.449,1056 10.966,1057 19.308,1058 -4.804,1059 11.728,1060 15.301,1061 0.438,1062 23.981,1063 11.522,1064 2.211,1065 7.164,1066 21.166,1067 4.589,1068 12.826,1069 16.771,1070 0.082,1071 26.344,1072 12.608,1073 1.961,1074 6.21,1075 23.034,1076 3.254,1077 13.991,1078 18.313,1079 0.334,1080 28.75,1081 13.761,1082 1.656,1083 5.145,1084 24.91,1085 2.729,1086 15.123,1087 19.814,1088 0.054,1089 31.133,1090 14.879,1091 1.014,1092 4.803,1093 26.791,1094 2.309,1095 16.282,1096 21.345,1097 0.252,1098 33.532,1099 16.024,1100 0.599,1101 2.496,1102 28.678,1103 2.182,1104 17.43,1105 22.859,1106 0.035,1107 35.922,1108 17.156,1109 2173,1110 3221,1111 11.444,1112 23.319,1113 26.817,1114 27.002,1115 28.123,1116 26.703,1117 26.725,1118 34.67,1119 3.32,1120 76.903,1121 25.495,1122 5.467,1123 5.311,1124 6.277,1125 5.174,1126 5.192,1127 7.589,1128 1.72,1129 17.868,1130 5.136,1131 9.727,1132 1.49,1133 1.5,1134 1.562,1135 1.483,1136 1.485,1137 1.926,1138 0.184,1139 4.272,1140 1.416,1141 4.142,1142 4.173,1143 4.103,1144 4.058,1145 4.988,1146 4.065,1147 3.661,1148 3.742,1149 3.53,1150 3.486,1151 4.62,1152 3.487,1153 3.515,1154 3.566,1155 3.402,1156 3.317,1157 4.316,1158 3.326,1159 3.205,1160 3.284,1161 3.014,1162 2.976,1163 4.084,1164 2.972,1165 3.148,1166 3.247,1167 2.912,1168 2.925,1169 3.784,1170 2.909,1171 2.877,1172 3.009,1173 2.667,1174 2.717,1175 3.58,1176 2.695,1177 2.874,1178 2.985,1179 2.621,1180 2.665,1181 3.499,1182 2.642,1183 2.845,1184 2.916,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.257,1190 0.184,1191 0.374,1192 0.232,1193 0.177,1194 4.632,1195 0.255,1196 3.311,1197 0.048,1198 6.729,1199 0.609,1200 4.174,1201 0.174,1202 3.192,1203 4.589,1204 0.86,1205 10.966,1206 3.136,1207 1.936,1208 1.918,1209 2.024,1210 2.025,1211 1.26,1212 2.024,1213 1.718,1214 1.661,1215 1.913,1216 1.915,1217 1.07,1218 1.921,1219 1.516,1220 1.431,1221 1.775,1222 1.759,1223 0.875,1224 1.768,1225 1.243,1226 1.178,1227 1.584,1228 1.541,1229 0.679,1230 1.554,1231 1.139,1232 1.042,1233 1.529,1234 1.393,1235 0.575,1236 1.445,1237 0.934,1238 0.808,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.887,1244 0.804,1245 1.206,1246 1.159,1247 0.309,1248 1.186,1249 0.864,1250 0.786,1251 1.11,1252 1.041,1253 0.208,1254 1.077,1255 3.611,1257 4.92,1258 2.398,1259 6.418,1260 4.844,1261 8.009,1262 7.018,1263 9.656,1265 8.049,1271 2.122,1273 5.288,1276 2.207,1280 21.499,1281 51.008,1282 117.24,1283 156.975,1284 161.73,1285 161.73,1286 161.73,1287 19.255,1288 6.091,1289 28.26,1290 28.26,1291 11,1292 12.042,1293 3.459,1294 2.585,1295 28.291,1296 43,1297 42,1298 0.341,1299 136.152,1300 224.47,1301 323.97,1302 2659,1304 12.414,1305 0.73,1306 0.647,1307 12.414,1308 11.002,1309 8.113,1310 0.451,1311 0.329,1312 5.816,1313 7.769,1314 5.481,1315 4.668,1316 8.113,1317 5.915,1318 7.359,1319 0.294,1320 0.188,1321 7.359,1322 4.693,1323 5.767,1324 0.18,1325 0.098,1326 5.767,1327 3.136,1328 4.646,1329 0.111,1330 0.051,1331 4.646,1332 2.146,1333 3.774,1334 0.073,1335 0.028,1336 3.774,1337 1.463,1338 0.509,1339 50.985,1340 0.296,1341 16.881,1342 1.011,1343 86,1344 213.714,1345 92.348,1346 207.611,1347 287.41,1348 196,1349 100,1350 211.207,1351 106.654,1352 221.099,1353 316.81,1354 203,1355 6.602} {0 CHEMBL71469,1 1.354,2 7.8,3 3.71,4 13.763,5 83.885,6 6.438,7 0.455,8 3.807,9 3.943,10 3.259,11 3.361,12 4.767,13 3.305,14 4.396,15 4.603,16 3.606,17 3.794,18 5.225,19 3.708,20 4.665,21 4.899,22 3.702,23 3.98,24 5.461,25 3.859,26 4.806,27 5.058,28 3.662,29 4.03,30 5.609,31 3.877,32 4.836,33 5.121,34 3.488,35 3.952,36 5.565,37 3.76,38 4.723,39 5.026,40 3.33,41 3.749,42 5.491,43 3.561,44 4.461,45 4.748,46 3.067,47 3.518,48 5.302,49 3.335,50 4.216,51 4.496,52 2.687,53 3.267,54 5.066,55 3.055,56 0.043,57 0.602,58 9.963,59 4.097,60 7.685,61 5.865,62 0.135,63 1.011,64 18.391,65 6.9,66 12.723,67 10.159,68 0.153,69 1.262,70 24.019,71 9.266,72 17.73,73 13.61,74 0.243,75 1.375,76 27.812,77 10.667,78 26.411,79 15.597,80 0.179,81 1.334,82 28.529,83 11.086,84 26.087,85 16.229,86 0.244,87 1.153,88 25.907,89 9.23,90 30.823,91 13.66,92 0.251,93 0.889,94 20.037,95 6.965,96 28.189,97 10.298,98 0.137,99 0.694,100 15.488,101 5.588,102 21.441,103 8.206,104 16,105 31,106 0.24,107 0.595,108 0.831,109 0.873,110 0.873,111 0.873,112 3.059,113 1.025,114 -4.01,115 -3.96,116 -3.75,119 40.5,120 1,121 4,124 1,125 1,127 1,140 2,141 4,149 1,150 1,153 1,169 9,172 4,176 3,178 11,182 4,186 2,189 11,193 3,195 1,197 2,199 7,203 5,208 1,211 5,215 3,218 1,220 1,222 4,225 1,226 1,233 4,242 1,244 3,249 1,254 1,256 1,259 470,260 13.809,261 13.809,262 13.809,263 13.809,264 13.809,265 12.606,266 12.62,267 8.084,268 13.955,269 10.746,270 10.746,271 10.746,272 10.746,273 10.746,274 8.785,275 13.88,276 3.631,277 10.973,278 4.038,279 2.035,280 0.703,281 0.465,282 0.465,283 0.465,284 3.739,287 1,288 1,289 1,290 333,291 3,294 34.497,295 74.004,298 58.681,299 63.268,302 1.14,303 12.417,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 42,315 156,316 4.687,317 3.405,318 6.918,319 4.257,320 3.265,321 4.646,322 0.8,323 11.658,324 3.241,325 3.951,326 3.05,327 6.08,328 3.744,329 2.787,330 3.365,332 8.781,333 2.677,334 3.647,335 2.842,336 5.791,337 3.409,338 2.433,339 2.825,341 7.786,342 2.365,343 3.414,344 2.498,345 5.112,346 2.965,347 1.977,348 2.674,350 5.894,351 1.948,352 2.957,353 1.966,354 4.64,355 2.618,356 1.618,357 2.095,359 4.617,360 1.617,361 2.589,362 1.641,363 4.208,364 2.51,365 1.534,366 1.592,368 3.808,369 1.494,370 2.394,371 1.592,372 3.699,373 1.921,374 0.933,375 1.27,377 2.165,378 0.918,379 2.067,380 0.975,381 3.314,382 1.81,383 0.847,384 0.972,386 1.919,387 0.812,388 2,389 0.914,390 2.956,391 1.739,392 0.74,393 0.813,395 1.331,396 0.736,397 1.795,398 0.74,399 2.714,400 1.393,401 0.316,402 0.505,404 0.493,405 0.338,406 0.89,407 -0.172,408 2.528,409 0.631,410 -0.354,411 -0.405,413 -0.765,414 -0.348,415 0.77,416 -0.376,417 2.285,418 0.403,419 -0.593,420 -0.616,422 -1.087,423 -0.573,424 0.42,425 -0.397,426 2.163,427 0.351,428 -0.618,429 -0.756,431 -1.503,432 -0.613,433 0.24,434 -0.877,435 2,436 -0.002,437 -1,438 -1.303,440 -3.055,441 -0.994,442 0.114,443 -1.008,444 1.85,445 -0.232,446 -1.217,447 -1.447,449 -3.257,450 -1.187,451 9.633,452 0.482,453 0.431,454 0.022,455 22,456 1.1,457 9.5,458 0.475,459 12.5,460 0.625,461 18.338,462 0.917,463 22.167,464 0.528,465 13.541,466 0.677,467 4.058,468 0.203,469 5.682,470 0.284,471 0.138,473 0.353,479 0.738,480 1.345,481 0.926,482 1.143,483 0.51,484 1.061,485 0.961,486 1.026,487 0.952,488 0.916,489 0.589,490 0.92,491 0.734,492 1.078,493 0.968,494 1.035,495 0.431,496 1.017,497 0.756,498 1.053,499 1.035,500 1.087,501 0.668,502 1.084,503 0.635,504 1.076,505 0.935,506 1.09,507 0.666,508 1.051,509 0.962,510 0.918,511 0.892,512 0.92,513 1.05,514 0.905,515 1.24,516 0.884,517 1.061,518 0.927,519 1.395,520 0.972,521 1.194,522 1.094,523 1.222,524 1.187,525 1.285,526 1.204,527 3.5,529 2.667,530 1.41,531 1.143,532 0.639,533 0.457,534 0.271,535 0.089,536 0.06,537 3345,538 6874,539 2.077,540 52.4,541 5,542 8,543 1,544 1,545 1,547 6,550 1.623,551 1.935,552 2.954,553 -0.37,555 1,557 1,559 56.883,560 1.354,561 3.357,562 4.69,563 4.928,564 4.928,565 4.928,566 2.423,567 3.922,568 4.291,569 3.04,570 577.693,571 7.36,572 5704.11,573 1,574 1,576 1,577 226.477,578 1.441,579 4.248,580 0.159,582 0.086,583 0.043,584 0.038,585 0.027,586 0.023,587 0.018,588 0.01,589 0.012,590 0.415,591 0.83,592 1,593 1.391,594 86.581,595 0.003,596 -0.111,597 0.058,598 -0.012,599 0.036,600 0.021,601 -0.095,602 0.116,603 0.037,604 0.121,605 -0.014,606 0.098,607 -0.026,608 -0.008,609 -0.004,610 -0.01,611 0.055,612 -0.003,613 0.045,614 -0.041,615 -0.072,616 -0.083,617 0.043,618 -0.087,619 0.054,620 -0.15,621 0.008,622 -0.104,623 0.032,624 -0.06,625 0.057,626 -0.011,627 0.082,628 0.014,630 0.043,631 -0.01,632 0.05,633 -0.068,634 0.006,635 -0.08,636 -0.031,637 -0.122,638 -0.158,639 -0.248,640 -0.238,641 -0.104,642 -0.25,643 1.029,644 4.255,645 0.65,646 13.15,647 0.985,648 1.128,649 2.777,650 7.712,651 0.645,652 3.135,653 3.466,654 3.807,655 4.111,656 4.357,657 4.489,658 4.625,659 4.736,660 4.745,661 4.625,662 4.622,663 0.596,664 270.41,665 3.135,666 4.673,667 5.549,668 6.447,669 7.348,670 8.257,671 9.166,672 10.079,673 10.991,674 11.906,675 4.8,678 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 42,716 11,717 1,718 22,720 44,721 17,722 8,723 4,724 2,725 1,730 3,731 6,736 1,740 4,743 5,745 9,746 8,750 1,755 1,757 1,761 1,764 22,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 20,833 5,837 1,838 1,847 2.4,850 1,854 10.333,855 8.033,856 4.556,857 2.846,858 2.244,859 1.324,860 0.983,861 3.73,862 9.178,863 3.367,864 3.956,865 4.624,866 5.27,867 5.801,868 6.191,869 6.561,870 6.95,871 7.026,872 7.114,873 1,874 33,875 7.424,877 3.123,878 7.533,879 14.782,881 12.575,883 2.033,884 40.667,885 0.002,888 247.193,889 83.163,890 19.91,892 25.145,895 83.163,896 272.338,897 19.91,898 17.222,899 12.244,900 28,901 48.34,902 32.04,903 13.915,904 223.651,906 247.193,907 103.073,908 25.145,911 176.567,912 95.772,915 40.979,916 50.67,917 11.424,919 247.193,920 45.055,921 83.163,924 247.193,925 26.518,926 59.77,927 16.786,928 25.145,929 247.193,930 45.055,931 83.163,933 0.572,934 0.356,935 0.203,936 0.11,937 16,938 7,939 0.091,940 4,941 2,942 1.308,943 3.153,944 156.465,945 0.308,946 13,947 86.439,951 13.537,952 5.51,953 2.355,954 2.233,955 28.269,956 6.16,958 3.214,961 3.599,963 16.786,964 375.411,965 28,970 11.255,972 0.971,975 41.367,976 47.358,977 0.251,978 0.623,979 0.87,980 0.914,981 0.914,982 0.914,983 4.61,984 0.847,985 5.541,986 2.165,987 4.143,988 4.64,989 0.673,990 6.405,991 4.106,992 5.807,993 0.74,994 7.132,995 1.919,996 3.761,997 4.543,998 0.325,999 7.427,1000 3.693,1001 7.124,1002 0.316,1003 8.826,1004 1.331,1005 5.778,1006 6.908,1007 0.379,1008 10.564,1009 5.705,1010 8.485,1011 -0.354,1012 10.581,1013 0.493,1014 6.256,1015 7.736,1016 0.268,1017 12.434,1018 6.161,1019 9.887,1020 -0.593,1021 12.375,1022 -0.765,1023 7.728,1024 9.57,1025 0.239,1026 15.097,1027 7.628,1028 11.318,1029 -0.618,1030 14.196,1031 -1.087,1032 8.59,1033 10.804,1034 0.188,1035 17.311,1036 8.477,1037 12.77,1038 -1,1039 16.037,1040 -1.503,1041 9.859,1042 12.448,1043 0.156,1044 19.825,1045 9.742,1046 3.265,1047 -1.217,1048 17.893,1049 -3.055,1050 10.893,1051 13.859,1052 0.125,1053 22.181,1054 10.768,1055 2.787,1056 11.658,1057 19.761,1058 -3.257,1059 12.09,1060 15.433,1061 0.102,1062 24.649,1063 11.961,1064 2.433,1065 8.781,1066 21.638,1067 4.646,1068 13.199,1069 16.917,1070 0.082,1071 27.062,1072 13.066,1073 1.977,1074 7.786,1075 23.524,1076 3.365,1077 14.373,1078 18.466,1079 0.066,1080 29.517,1081 14.237,1082 1.618,1083 5.894,1084 25.416,1085 2.825,1086 15.516,1087 19.98,1088 0.054,1089 31.954,1090 15.376,1091 1.534,1092 4.617,1093 27.314,1094 2.674,1095 16.686,1096 21.521,1097 0.043,1098 34.407,1099 16.543,1100 0.933,1101 3.808,1102 29.217,1103 2.095,1104 17.846,1105 23.047,1106 0.035,1107 36.855,1108 17.698,1109 3363,1110 4928,1111 14.622,1112 27.08,1113 33.549,1114 34.738,1115 34.711,1116 33.008,1117 32.897,1118 41.514,1119 1.6,1120 96.902,1121 32.291,1122 5.632,1123 5.405,1124 6.688,1125 5.266,1126 5.265,1127 7.646,1128 1.2,1129 18.937,1130 5.241,1131 9.47,1132 1.525,1133 1.579,1134 1.578,1135 1.5,1136 1.495,1137 1.887,1138 0.073,1139 4.405,1140 1.468,1141 4.164,1142 4.193,1143 4.124,1144 4.092,1145 7.452,1146 4.096,1147 3.798,1148 3.864,1149 3.689,1150 3.646,1151 4.934,1152 3.648,1153 3.594,1154 3.662,1155 3.451,1156 3.449,1157 4.39,1158 3.438,1159 3.372,1160 3.432,1161 3.236,1162 3.238,1163 4.226,1164 3.229,1165 3.212,1166 3.286,1167 3.047,1168 2.988,1169 3.977,1170 2.983,1171 3.043,1172 3.124,1173 2.863,1174 2.879,1175 3.81,1176 2.86,1177 3.033,1178 3.1,1179 2.845,1180 2.768,1181 3.555,1182 2.788,1183 2.757,1184 2.887,1185 2.499,1186 2.52,1187 3.337,1188 2.503,1189 0.213,1190 0.155,1191 0.314,1192 0.194,1193 0.148,1194 4.687,1195 0.211,1196 3.405,1197 0.036,1198 6.918,1199 0.53,1200 4.257,1201 0.147,1202 3.265,1203 4.646,1204 0.8,1205 11.658,1206 3.241,1207 2.031,1208 2.008,1209 2.138,1210 2.113,1211 1.471,1212 2.123,1213 1.703,1214 1.638,1215 1.936,1216 1.896,1217 1.182,1218 1.91,1219 1.556,1220 1.515,1221 1.769,1222 1.766,1223 1.006,1224 1.762,1225 1.526,1226 1.464,1227 1.68,1228 1.686,1229 0.802,1230 1.701,1231 1.26,1232 1.17,1233 1.599,1234 1.511,1235 0.696,1236 1.546,1237 1.085,1238 0.999,1239 1.42,1240 1.301,1241 0.616,1242 1.346,1243 0.953,1244 0.888,1245 1.281,1246 1.241,1247 0.422,1248 1.236,1249 0.808,1250 0.682,1251 1.21,1252 1.11,1253 0.328,1254 1.177,1255 3.807,1257 5.13,1258 2.398,1259 6.671,1260 4.727,1261 8.316,1262 6.843,1263 10.019,1265 4.444,1271 5.725,1275 0.599,1276 2.467,1280 25.026,1281 56.883,1282 140.99,1283 196.968,1284 206.968,1285 206.968,1286 206.968,1287 27.814,1288 6.933,1289 36.1,1290 36.1,1291 17,1292 12.419,1293 3.585,1294 2.807,1295 29.782,1296 54,1297 66,1298 0.28,1299 154.608,1300 261.37,1301 369.003,1302 8093,1304 14.113,1305 0.706,1306 0.614,1307 14.113,1308 12.278,1309 9.741,1310 0.443,1311 0.342,1312 7.447,1313 9.483,1314 7.198,1315 6.009,1316 9.741,1317 7.515,1318 8.423,1319 0.272,1320 0.189,1321 8.423,1322 5.865,1323 7.561,1324 0.172,1325 0.104,1326 7.561,1327 4.595,1328 6.478,1329 0.108,1330 0.058,1331 6.478,1332 3.5,1333 5.198,1334 0.068,1335 0.032,1336 5.198,1337 2.474,1338 0.418,1339 60.265,1340 0.262,1341 19.387,1342 0.832,1343 106,1344 241.714,1345 111.242,1346 237.683,1347 329.8,1348 224,1349 128,1350 241.812,1351 133.825,1352 249.954,1353 367.09,1354 235,1355 7.796} {0 CHEMBL71474,1 1.395,2 8.043,3 4.907,4 24.082,5 92.521,6 6.669,7 0.4,8 3.915,9 4.054,10 3.388,11 3.468,12 4.926,13 3.416,14 4.512,15 4.722,16 3.745,17 3.893,18 5.393,19 3.811,20 4.813,21 5.063,22 3.883,23 4.07,24 5.706,25 3.966,26 4.904,27 5.153,28 3.91,29 4.144,30 5.816,31 4.027,32 4.994,33 5.262,34 3.792,35 4.158,36 5.853,37 3.997,38 5.017,39 5.321,40 3.637,41 4.058,42 5.934,43 3.869,44 4.829,45 5.148,46 3.374,47 3.866,48 5.609,49 3.657,50 4.526,51 4.817,52 3.225,53 3.631,54 5.377,55 3.453,56 0.035,57 0.751,58 10.754,59 4.588,60 8.833,61 6.413,62 0.122,63 1.236,64 20.399,65 7.85,66 14.183,67 11.303,68 0.284,69 1.588,70 28.401,71 10.272,72 31.556,73 14.982,74 0.258,75 1.74,76 31.102,77 11.575,78 33.556,79 16.481,80 0.243,81 1.784,82 34.141,83 13.079,84 45.411,85 18.583,86 0.418,87 1.696,88 35.761,89 12.526,90 83.672,91 18.39,92 0.343,93 1.306,94 29.347,95 10.365,96 45.25,97 15.638,98 0.154,99 1.041,100 21.341,101 7.775,102 25.883,103 11.477,104 31,105 35,106 0.24,107 0.564,108 0.762,109 0.797,110 0.797,111 0.797,112 3.19,113 1.037,114 -4.86,115 -4.77,116 -4.47,119 40.4,120 2,121 5,125 2,127 1,140 1,141 4,142 1,149 1,150 1,156 1,169 9,172 5,176 2,178 9,182 5,186 2,189 8,193 3,195 1,197 2,199 8,203 4,208 1,211 11,215 2,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 4,249 2,254 2,259 681,260 15.886,261 15.886,262 15.886,263 15.886,264 15.886,265 14.6,266 18.507,267 9.428,268 16.109,269 12.206,270 12.206,271 12.206,272 12.206,273 12.206,274 10.083,275 20.772,276 4.183,277 12.613,278 4.16,279 2.276,280 1.128,281 0.926,282 0.926,283 0.926,284 3.869,288 1,289 1,290 388,291 3.391,294 41.852,295 90.775,298 71.95,299 77.571,302 1.18,303 22.13,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49,315 185,316 4.749,317 4.076,318 7,319 4.303,320 3.318,321 4.727,322 2.035,323 11.95,324 3.27,325 3.986,326 3.44,327 6.185,328 3.79,329 2.84,330 3.38,331 0.8,332 9.187,333 2.704,334 3.828,335 3.095,336 5.883,337 3.438,338 2.461,339 3.212,341 8.056,342 2.397,343 3.655,344 2.747,345 5.66,346 3.277,347 2.328,348 2.749,350 7.361,351 2.192,352 3.315,353 2.6,354 4.767,355 2.646,356 1.66,357 2.239,359 4.886,360 1.635,361 2.745,362 1.864,363 4.418,364 2.588,365 1.608,366 1.689,368 4.259,369 1.573,370 2.673,371 1.704,372 3.947,373 2.237,374 1.247,375 1.55,377 2.954,378 1.233,379 2.369,380 1.484,381 3.698,382 2.095,383 1.164,384 1.247,386 2.166,387 1.074,388 2.247,389 1.298,390 3.247,391 1.803,392 0.836,393 1.01,395 2.117,396 0.806,397 2.07,398 0.911,399 2.966,400 1.644,401 0.667,402 0.718,404 1.056,405 0.65,406 1.689,407 0.768,408 2.821,409 1.289,410 0.356,411 0.653,413 0.544,414 0.33,415 1.156,416 0.338,417 2.681,418 0.891,419 -0.051,420 -0.059,422 -0.123,423 -0.048,424 0.808,425 -0.043,426 2.383,427 0.521,428 -0.445,429 -0.445,431 -0.632,432 -0.428,433 0.555,434 -0.287,435 2.228,436 0.374,437 -0.604,438 -0.764,440 -1.532,441 -0.589,442 0.353,443 -0.371,444 2,445 0.161,446 -0.78,447 -0.851,449 -1.628,450 -0.712,451 10.986,452 0.478,453 0.483,454 0.021,455 25.25,456 1.098,457 11,458 0.478,459 14.25,460 0.62,461 23.592,462 1.026,463 25.614,464 0.545,465 15.978,466 0.695,467 4.322,468 0.188,469 6.867,470 0.299,471 0.153,473 0.355,477 1,479 0.633,480 1.184,481 0.874,482 1.145,483 0.458,484 1.062,485 0.722,486 1.028,487 0.875,488 1.004,489 0.43,490 0.964,491 0.79,492 0.939,493 0.859,494 0.923,495 0.588,496 0.902,497 0.899,498 1.038,499 0.963,500 1.034,501 0.762,502 1.012,503 0.85,504 1.102,505 1.006,506 1.147,507 0.831,508 1.115,509 0.838,510 0.893,511 0.95,512 0.967,513 0.836,514 0.977,515 0.48,516 0.654,517 0.846,518 0.854,519 0.658,520 0.892,521 0.634,522 0.944,523 0.926,524 1.04,525 0.738,526 1.026,527 4,529 2.889,530 1.625,531 1.699,532 0.806,533 0.597,534 0.377,535 0.227,536 0.161,537 4746,538 10766,539 2.041,540 51.1,541 8,542 6,543 1,545 1,547 8,550 1.665,551 1.89,552 3.031,553 -0.369,559 65.561,560 1.395,561 3.278,562 4.427,563 4.629,564 4.629,565 4.629,566 2.442,567 4.176,568 4.492,569 3.157,570 798.651,571 7.776,572 8817.7,574 1,577 261.066,578 1.478,579 4.443,580 0.16,582 0.083,583 0.042,584 0.044,585 0.024,586 0.022,587 0.018,588 0.013,589 0.013,590 0.418,591 0.5,592 1,593 1.522,594 105.105,595 -0.008,596 -0.082,597 0.046,598 -0.011,599 0.045,600 0.018,601 -0.017,602 -0.032,603 0.066,604 0.04,605 0.05,606 0.062,607 0.066,608 0.038,609 0.105,610 0.078,611 0.076,612 0.094,613 -0.007,614 -0.043,615 0.002,616 -0.027,617 0.04,618 -0.014,619 -0.01,620 -0.151,621 -0.053,622 -0.135,623 0.003,624 -0.108,625 0.065,626 0.003,627 0.021,628 -0.014,629 0.08,630 -0.008,631 0.12,632 0.105,633 0.09,634 0.081,636 0.08,637 0.021,638 -0.116,639 0.012,640 -0.075,641 -0.028,642 -0.04,643 1.905,644 6.27,645 0.565,646 17.157,647 0.99,648 1.136,649 3.629,650 13.172,651 0.645,652 3.258,653 3.584,654 3.932,655 4.263,656 4.522,657 4.663,658 4.812,659 4.97,660 4.99,661 4.913,662 5.065,663 0.601,664 313.46,665 3.258,666 4.796,667 5.673,668 6.578,669 7.484,670 8.4,671 9.316,672 10.236,673 11.157,674 12.08,675 6.4,678 1,683 1,684 1,687 2,688 2,690 1,693 4,695 10,697 1,713 1,714 47,716 11,717 1,718 25,720 49,721 19,722 8,723 5,724 1,730 3,731 6,736 2,740 4,743 6,744 1,745 8,746 10,762 1,764 24,765 3,766 1,767 4,773 3,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,825 1,827 23,833 7,837 1,838 1,840 1,843 1,845 1,846 1,854 12.167,855 9.043,856 5.333,857 3.457,858 2.322,859 1.323,860 0.974,861 4.802,862 9.515,863 3.497,864 4.065,865 4.742,866 5.402,867 5.953,868 6.386,869 6.734,870 7.143,871 7.271,872 7.381,873 1,874 39,875 8.577,877 3.656,878 7.71,879 16.791,881 14.203,883 2.21,884 50.833,887 1,888 270.735,889 93.055,890 50.969,893 14.96,895 93.055,896 270.735,897 65.929,898 17.65,899 16.884,900 18.524,901 16.602,902 72.22,903 28.875,904 258.964,906 270.735,907 144.024,908 14.96,911 191.527,912 94.169,915 85.504,916 58.52,919 285.695,920 50.969,921 93.055,924 270.735,925 40.279,926 39.298,927 33.387,928 46.019,929 270.735,930 65.929,931 93.055,933 0.564,934 0.354,935 0.213,936 0.121,937 17,938 8,939 0.102,940 5,941 2,942 1.308,943 3.358,944 190.349,945 0.308,946 13,947 98.042,951 16.179,952 6.826,953 2.918,954 1.29,955 49.144,956 3.295,958 2.941,961 2.578,963 16.786,964 429.719,965 32,975 46.538,976 53.402,977 0.251,978 0.59,979 0.797,980 0.833,981 0.833,982 0.833,983 4.758,984 1.164,985 5.666,986 2.954,987 4.263,988 4.749,989 2.326,990 6.544,991 4.2,992 5.968,993 0.836,994 7.263,995 2.166,996 3.892,997 4.677,998 0.325,999 7.585,1000 3.793,1001 7.294,1002 0.667,1003 8.965,1004 2.117,1005 5.905,1006 7.025,1007 3.576,1008 10.738,1009 5.791,1010 8.661,1011 0.356,1012 10.728,1013 1.056,1014 6.399,1015 7.879,1016 0.268,1017 12.619,1018 6.255,1019 10.067,1020 -0.051,1021 12.53,1022 0.544,1023 7.869,1024 9.701,1025 4.964,1026 15.3,1027 7.714,1028 11.5,1029 -0.445,1030 14.359,1031 -0.123,1032 8.746,1033 10.958,1034 0.188,1035 17.524,1036 8.572,1037 12.955,1038 -0.604,1039 16.207,1040 -0.632,1041 10.019,1042 12.601,1043 6.378,1044 20.058,1045 9.833,1046 3.318,1047 -0.78,1048 18.069,1049 -1.532,1050 11.067,1051 14.031,1052 0.125,1053 22.428,1054 10.868,1055 2.84,1056 11.95,1057 19.943,1058 -1.628,1059 12.271,1060 15.612,1061 7.797,1062 24.918,1063 12.063,1064 2.461,1065 9.187,1066 21.826,1067 4.727,1068 13.395,1069 17.115,1070 0.082,1071 27.35,1072 13.175,1073 2.328,1074 8.056,1075 23.718,1076 3.38,1077 14.581,1078 18.676,1079 9.217,1080 29.828,1081 14.351,1082 1.66,1083 7.361,1084 25.617,1085 3.212,1086 15.739,1087 20.208,1088 0.054,1089 32.286,1090 15.499,1091 1.608,1092 4.886,1093 27.522,1094 2.749,1095 16.922,1096 21.763,1097 10.638,1098 34.763,1099 16.672,1100 1.247,1101 4.259,1102 29.431,1103 2.239,1104 18.097,1105 23.308,1106 0.035,1107 37.233,1108 17.836,1109 4806,1110 7443,1111 16.414,1112 30.33,1113 38.491,1114 40.211,1115 39.584,1116 37.011,1117 36.972,1118 46.348,1119 5.669,1120 109.072,1121 35.728,1122 5.695,1123 6.076,1124 6.802,1125 5.319,1126 5.318,1127 7.727,1128 4.069,1129 19.466,1130 5.27,1131 12.101,1132 1.54,1133 1.608,1134 1.583,1135 1.48,1136 1.479,1137 1.854,1138 0.227,1139 4.363,1140 1.429,1141 4.168,1142 4.198,1143 4.139,1144 4.092,1145 8.201,1146 4.099,1147 3.822,1148 3.888,1149 3.712,1150 3.667,1151 6.82,1152 3.669,1153 3.617,1154 3.682,1155 3.49,1156 3.484,1157 4.86,1158 3.475,1159 3.501,1160 3.586,1161 3.282,1162 3.348,1163 4.381,1164 3.32,1165 3.355,1166 3.404,1167 3.279,1168 3.225,1169 4.208,1170 3.228,1171 3.111,1172 3.197,1173 3.004,1174 2.913,1175 4.04,1176 2.914,1177 3.033,1178 3.119,1179 2.85,1180 2.848,1181 3.839,1182 2.848,1183 2.965,1184 3.06,1185 2.807,1186 2.721,1187 3.558,1188 2.727,1189 0.19,1190 0.163,1191 0.28,1192 0.172,1193 0.133,1194 4.749,1195 0.189,1196 4.076,1197 0.081,1198 7,1199 0.478,1200 4.303,1201 0.131,1202 3.318,1203 4.727,1204 2.035,1205 11.95,1206 3.27,1207 2.027,1208 2.005,1209 2.129,1210 2.116,1211 1.477,1212 2.121,1213 1.738,1214 1.674,1215 1.96,1216 1.926,1217 1.23,1218 1.937,1219 1.548,1220 1.501,1221 1.861,1222 1.758,1223 1.09,1224 1.785,1225 1.539,1226 1.461,1227 1.721,1228 1.738,1229 0.979,1230 1.748,1231 1.518,1232 1.459,1233 1.645,1234 1.655,1235 0.774,1236 1.665,1237 1.176,1238 1.1,1239 1.484,1240 1.4,1241 0.631,1242 1.434,1243 0.99,1244 0.896,1245 1.365,1246 1.248,1247 0.543,1248 1.292,1249 0.941,1250 0.857,1251 1.24,1252 1.19,1253 0.403,1254 1.183,1255 3.932,1257 5.252,1258 2.398,1259 6.792,1260 4.727,1261 8.444,1262 6.862,1263 10.158,1265 4.43,1267 14.27,1271 7.397,1275 0.498,1276 2.566,1278 9.358,1279 2.21,1280 28.242,1281 65.561,1282 154.072,1283 208.046,1284 217.556,1285 217.556,1286 217.556,1287 44.729,1288 7.193,1289 42.82,1290 42.82,1291 17,1292 12.587,1293 3.585,1294 3,1295 36.557,1296 69,1297 72,1298 0.27,1299 174.861,1300 301.61,1301 418.422,1302 10987,1303 2.1,1304 16.397,1305 0.713,1306 0.607,1307 15.527,1308 13.954,1309 11.189,1310 0.448,1311 0.346,1312 8.565,1313 10.868,1314 8.324,1315 6.946,1316 10.779,1317 8.646,1318 9.534,1319 0.272,1320 0.186,1321 8.995,1322 6.493,1323 8.408,1324 0.168,1325 0.099,1326 7.998,1327 4.954,1328 7.452,1329 0.106,1330 0.057,1331 7.056,1332 3.965,1333 6.164,1334 0.068,1335 0.033,1336 5.799,1337 2.958,1338 0.405,1339 69.385,1340 0.247,1341 21.926,1342 0.797,1343 120,1344 331.734,1345 128.66,1346 304.218,1347 413.2,1348 284,1349 145,1350 302.178,1351 154.251,1352 303.599,1353 448.34,1354 287,1355 8.066} {0 CHEMBL71625,1 1.316,2 7.955,3 4.582,4 20.997,5 93.158,6 6.218,7 0.417,8 3.927,9 4.068,10 3.345,11 3.476,12 4.851,13 3.411,14 4.527,15 4.739,16 3.68,17 3.903,18 5.323,19 3.803,20 4.814,21 5.068,22 3.789,23 4.081,24 5.558,25 3.952,26 4.919,27 5.172,28 3.797,29 4.158,30 5.685,31 4.01,32 5.003,33 5.274,34 3.695,35 4.173,36 5.707,37 3.983,38 5.039,39 5.345,40 3.557,41 4.076,42 5.741,43 3.864,44 4.872,45 5.189,46 3.33,47 3.881,48 5.582,49 3.663,50 4.561,51 4.851,52 3.122,53 3.65,54 5.319,55 3.446,56 0.053,57 0.68,58 11.653,59 4.784,60 8.325,61 6.905,62 0.144,63 1.141,64 21.248,65 8.03,66 13.936,67 11.921,68 0.193,69 1.433,70 28.094,71 10.468,72 20.925,73 15.671,74 0.276,75 1.551,76 31.269,77 11.848,78 26.762,79 17.482,80 0.195,81 1.608,82 33.424,83 13.411,84 25.312,85 19.513,86 0.285,87 1.568,88 34.723,89 13.014,90 35.087,91 19.199,92 0.303,93 1.29,94 29.377,95 10.764,96 34.142,97 15.971,98 0.162,99 0.984,100 21.483,101 8.153,102 21.22,103 11.969,104 24,105 33,106 0.227,107 0.549,108 0.764,109 0.806,110 0.806,111 0.806,112 3.148,113 1.074,114 -4.48,115 -4.4,116 -4.15,119 39.6,120 2,121 5,125 2,127 1,140 2,141 4,149 1,150 1,153 1,169 10,172 5,176 3,178 11,182 5,186 2,189 11,193 3,195 1,197 2,199 10,203 5,208 1,211 11,215 3,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 6,249 2,254 2,256 2,259 602,260 15.386,261 15.386,262 15.386,263 15.386,264 15.386,265 14.184,266 14.201,267 9.213,268 15.532,269 11.722,270 11.722,271 11.722,272 11.722,273 11.722,274 9.761,275 15.648,276 4.082,277 11.968,278 4.269,279 2.396,280 1.146,281 0.906,282 0.906,283 0.906,284 3.83,288 1,289 1,290 369,291 3.317,294 40.473,295 85.808,298 68.667,299 73.354,302 1.149,303 13.244,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 46,315 175,316 4.687,317 3.408,318 6.919,319 4.258,320 3.266,321 4.646,322 0.8,323 11.66,324 3.241,325 3.963,326 3.086,327 6.165,328 3.78,329 2.827,330 3.365,332 9.131,333 2.7,334 3.696,335 2.868,336 5.828,337 3.438,338 2.459,339 2.835,341 7.946,342 2.399,343 3.418,344 2.505,345 5.112,346 2.97,347 1.981,348 2.725,350 5.898,351 1.954,352 2.959,353 1.979,354 4.648,355 2.641,356 1.65,357 2.097,359 4.678,360 1.635,361 2.673,362 1.699,363 4.408,364 2.572,365 1.584,366 1.68,368 4.221,369 1.56,370 2.398,371 1.597,372 3.701,373 2.237,374 1.247,375 1.271,377 2.165,378 1.233,379 2.247,380 1.298,381 3.315,382 1.881,383 0.887,384 1.247,386 2.117,387 0.876,388 2.067,389 0.915,390 3.247,391 1.805,392 0.834,393 0.953,395 1.91,396 0.808,397 1.977,398 0.852,399 2.867,400 1.625,401 0.629,402 0.676,404 0.998,405 0.623,406 1.648,407 0.666,408 2.695,409 1.388,410 0.314,411 0.49,413 0.488,414 0.335,415 0.892,416 -0.167,417 2.523,418 0.637,419 -0.349,420 -0.401,422 -0.632,423 -0.343,424 0.77,425 -0.287,426 2.252,427 0.521,428 -0.445,429 -0.445,431 -0.832,432 -0.428,433 0.555,434 -0.377,435 2.163,436 0.402,437 -0.605,438 -0.75,440 -1.477,441 -0.608,442 0.288,443 -0.866,444 2,445 0.048,446 -0.944,447 -1.058,449 -1.874,450 -0.933,451 10.633,452 0.483,453 0.393,454 0.018,455 23,456 1.045,457 9.5,458 0.432,459 13.5,460 0.614,461 22.451,462 1.021,463 24.767,464 0.516,465 13.931,466 0.633,467 4.02,468 0.183,469 6.759,470 0.307,471 0.125,473 0.32,479 0.748,480 1.361,481 0.973,482 1.179,483 0.521,484 1.104,485 0.937,486 1.133,487 0.992,488 1.011,489 0.592,490 0.999,491 0.804,492 1.024,493 0.927,494 0.952,495 0.421,496 0.94,497 0.863,498 1.022,499 1.045,500 1.041,501 0.668,502 1.05,503 0.636,504 1.149,505 1.014,506 1.171,507 0.64,508 1.134,509 0.82,510 0.958,511 0.925,512 0.982,513 0.893,514 0.968,515 0.928,516 0.793,517 0.899,518 0.836,519 1.061,520 0.863,521 0.935,522 1.005,523 1.024,524 1.049,525 1.037,526 1.047,527 3.5,529 2.667,530 1.41,531 1.223,532 0.722,533 0.517,534 0.314,535 0.177,536 0.121,537 4315,538 8352,539 2.07,540 54.2,541 8,542 7,543 1,544 1,545 1,547 8,550 1.652,551 1.941,552 3.013,553 -0.399,559 63.156,560 1.316,561 3.189,562 4.439,563 4.679,564 4.679,565 4.679,566 2.431,567 3.914,568 4.429,569 3.128,570 722.647,571 7.644,572 7766.53,574 1,577 268.078,578 1.395,579 4.392,580 0.146,582 0.081,583 0.039,584 0.035,585 0.024,586 0.021,587 0.016,588 0.011,589 0.012,590 0.384,591 0.67,592 1,593 1.504,594 99.107,595 0.012,596 -0.101,597 0.056,598 -0.011,599 0.04,600 0.019,601 -0.062,602 0.016,603 0.021,604 0.047,605 -0.009,606 0.042,607 -0.015,608 0.046,609 0.06,610 0.058,611 0.069,612 0.067,613 0.019,614 0.028,615 -0.058,616 -0.03,617 0.049,618 -0.045,619 0.028,620 -0.177,621 -0.065,622 -0.154,623 0.028,624 -0.124,625 0.056,626 -0.045,627 0.03,628 -0.032,629 0.005,630 -0.009,631 0.05,632 0.1,633 0.06,634 0.093,635 -0.031,636 0.079,637 -0.035,638 -0.067,639 -0.064,640 -0.079,641 -0.059,642 -0.074,643 1.015,644 4.357,645 0.591,646 15.636,647 0.982,648 1.129,649 3.247,650 10.543,651 0.638,652 3.219,653 3.526,654 3.871,655 4.19,656 4.431,657 4.554,658 4.71,659 4.86,660 4.883,661 4.796,662 4.969,663 0.585,664 298.47,665 3.219,666 4.745,667 5.617,668 6.512,669 7.41,670 8.317,671 9.225,672 10.136,673 11.048,674 11.962,675 4.2,678 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 48,716 11,717 1,718 24,720 50,721 19,722 8,723 4,724 2,725 1,730 3,731 6,736 2,740 4,743 6,745 9,746 10,750 1,755 1,757 1,761 1,764 26,765 2,766 1,767 3,773 2,777 0.333,778 1,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 22,833 7,837 1,838 1,847 2.1,850 1,854 11.333,855 9.033,856 5.139,857 3.496,858 2.236,859 1.315,860 0.973,861 4.751,862 9.333,863 3.434,864 3.994,865 4.653,866 5.296,867 5.819,868 6.205,869 6.583,870 6.982,871 7.077,872 7.193,873 1,874 36,875 8.184,877 3.409,878 7.485,879 16.415,881 13.896,883 1.985,884 43.667,885 0.001,887 1,888 294.278,889 88.232,890 19.91,892 25.145,895 88.232,896 319.422,897 19.91,898 17.65,899 16.884,900 28,901 48.34,902 32.04,903 13.915,904 270.735,906 294.278,907 108.142,908 25.145,911 200.109,912 119.314,915 54.444,916 42.274,917 11.424,919 294.278,920 45.055,921 88.232,924 294.278,925 31.158,926 60.199,927 16.786,928 25.145,929 294.278,930 45.055,931 88.232,933 0.558,934 0.35,935 0.211,936 0.118,937 16,938 7,939 0.12,940 6,941 2,942 1.308,943 3.325,944 177.038,945 0.308,946 13,947 92.107,951 15.454,952 6.764,953 2.914,954 2.254,955 28.269,956 6.206,958 3.239,961 3.638,963 16.786,964 427.565,965 30,970 11.357,972 0.985,975 47.134,976 54.188,977 0.236,978 0.571,979 0.795,980 0.838,981 0.838,982 0.838,983 4.668,984 0.887,985 5.595,986 2.165,987 4.205,988 4.677,989 0.673,990 6.454,991 4.166,992 5.849,993 0.834,994 7.177,995 2.117,996 3.761,997 4.543,998 0.325,999 7.469,1000 3.693,1001 7.157,1002 0.629,1003 8.866,1004 1.91,1005 5.826,1006 6.924,1007 0.379,1008 10.612,1009 5.747,1010 8.512,1011 0.314,1012 10.618,1013 0.998,1014 6.275,1015 7.74,1016 0.268,1017 12.484,1018 6.174,1019 9.91,1020 -0.349,1021 12.412,1022 0.488,1023 7.769,1024 9.576,1025 0.239,1026 15.144,1027 7.658,1028 11.338,1029 -0.445,1030 14.233,1031 -0.632,1032 8.618,1033 10.807,1034 0.188,1035 17.356,1036 8.495,1037 12.788,1038 -0.605,1039 16.074,1040 -0.832,1041 9.896,1042 12.451,1043 0.156,1044 19.865,1045 9.765,1046 3.266,1047 -0.944,1048 17.93,1049 -1.477,1050 10.924,1051 13.86,1052 0.125,1053 22.217,1054 10.786,1055 2.827,1056 11.66,1057 19.798,1058 -1.874,1059 12.124,1060 15.434,1061 0.102,1062 24.68,1063 11.98,1064 2.459,1065 9.131,1066 21.675,1067 4.646,1068 13.23,1069 16.918,1070 0.082,1071 27.089,1072 13.082,1073 1.981,1074 7.946,1075 23.56,1076 3.365,1077 14.404,1078 18.467,1079 0.066,1080 29.541,1081 14.252,1082 1.65,1083 5.898,1084 25.452,1085 2.835,1086 15.545,1087 19.981,1088 0.054,1089 31.974,1090 15.39,1091 1.584,1092 4.678,1093 27.349,1094 2.725,1095 16.714,1096 21.521,1097 0.043,1098 34.425,1099 16.555,1100 1.247,1101 4.221,1102 29.251,1103 2.097,1104 17.872,1105 23.047,1106 0.035,1107 36.87,1108 17.71,1109 4344,1110 6183,1111 16.008,1112 30.603,1113 35.967,1114 37.201,1115 37.418,1116 35.463,1117 35.357,1118 43.974,1119 1.6,1120 102.423,1121 34.726,1122 5.632,1123 5.408,1124 6.721,1125 5.273,1126 5.266,1127 7.646,1128 1.2,1129 18.941,1130 5.241,1131 10.309,1132 1.499,1133 1.55,1134 1.559,1135 1.478,1136 1.473,1137 1.832,1138 0.067,1139 4.268,1140 1.447,1141 4.165,1142 4.195,1143 4.125,1144 4.092,1145 7.452,1146 4.097,1147 3.822,1148 3.888,1149 3.711,1150 3.666,1151 4.934,1152 3.669,1153 3.619,1154 3.682,1155 3.485,1156 3.483,1157 4.384,1158 3.474,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.233,1164 3.32,1165 3.347,1166 3.392,1167 3.229,1168 3.223,1169 4.04,1170 3.215,1171 3.129,1172 3.195,1173 2.996,1174 2.908,1175 3.942,1176 2.904,1177 3.034,1178 3.119,1179 2.845,1180 2.846,1181 3.647,1182 2.845,1183 2.969,1184 3.056,1185 2.754,1186 2.71,1187 3.538,1188 2.714,1189 0.195,1190 0.142,1191 0.288,1192 0.177,1193 0.136,1194 4.687,1195 0.194,1196 3.408,1197 0.033,1198 6.919,1199 0.486,1200 4.258,1201 0.135,1202 3.266,1203 4.646,1204 0.8,1205 11.66,1206 3.241,1207 2.032,1208 2.008,1209 2.14,1210 2.116,1211 1.478,1212 2.126,1213 1.74,1214 1.676,1215 1.965,1216 1.925,1217 1.232,1218 1.94,1219 1.557,1220 1.515,1221 1.861,1222 1.768,1223 1.09,1224 1.785,1225 1.539,1226 1.465,1227 1.752,1228 1.738,1229 0.998,1230 1.759,1231 1.522,1232 1.459,1233 1.678,1234 1.674,1235 0.785,1236 1.689,1237 1.177,1238 1.1,1239 1.484,1240 1.403,1241 0.675,1242 1.435,1243 0.994,1244 0.908,1245 1.372,1246 1.249,1247 0.55,1248 1.296,1249 0.949,1250 0.868,1251 1.24,1252 1.238,1253 0.403,1254 1.234,1255 3.892,1257 5.198,1258 2.398,1259 6.727,1260 4.727,1261 8.367,1262 6.843,1263 10.066,1265 4.516,1271 8.206,1275 0.618,1276 2.648,1280 28.079,1281 63.156,1282 153.085,1283 213.059,1284 224.568,1285 224.568,1286 224.568,1287 32.839,1288 7.098,1289 36.1,1290 36.1,1291 17,1292 12.475,1293 3.585,1294 2.807,1295 34.227,1296 65,1297 66,1298 0.268,1299 173.793,1300 295.97,1301 415.814,1302 9950,1304 15.527,1305 0.706,1306 0.622,1307 15.527,1308 13.692,1309 10.779,1310 0.449,1311 0.358,1312 8.527,1313 10.528,1314 8.269,1315 6.918,1316 10.779,1317 8.591,1318 8.995,1319 0.273,1320 0.195,1321 8.995,1322 6.42,1323 7.998,1324 0.17,1325 0.105,1326 7.998,1327 4.933,1328 7.056,1329 0.109,1330 0.061,1331 7.056,1332 3.952,1333 5.799,1334 0.07,1335 0.035,1336 5.799,1337 2.944,1338 0.403,1339 66.408,1340 0.25,1341 21.151,1342 0.789,1343 114,1344 249.714,1345 119.575,1346 245.423,1347 342.7,1348 232,1349 137,1350 253.164,1351 143.158,1352 259.667,1353 383.71,1354 246,1355 7.509} {0 CHEMBL71635,1 1.471,2 13.793,3 2.554,4 6.521,5 115.081,6 6.82,7 0.375,8 4.149,9 4.274,10 3.645,11 3.648,12 5.157,13 3.621,14 4.733,15 4.919,16 3.986,17 4.054,18 5.705,19 4.005,20 4.995,21 5.209,22 4.055,23 4.255,24 5.893,25 4.163,26 5.089,27 5.321,28 3.933,29 4.29,30 5.929,31 4.143,32 5.148,33 5.437,34 3.814,35 4.217,36 5.86,37 4.034,38 5.016,39 5.306,40 3.743,41 4.025,42 5.758,43 3.881,44 4.829,45 5.071,46 3.708,47 3.92,48 5.752,49 3.813,50 4.787,51 5.029,52 3.519,53 3.934,54 5.575,55 3.768,56 0.035,57 0.832,58 13.421,59 5.47,60 9.538,61 7.52,62 0.308,63 1.349,64 25.792,65 8.883,66 33.939,67 12.574,68 0.365,69 1.682,70 33.809,71 12.13,72 39.219,73 17.128,74 0.331,75 1.78,76 37.034,77 14.088,78 42.048,79 20.089,80 0.338,81 1.774,82 40.236,83 14.518,84 39.933,85 21.618,86 0.373,87 1.526,88 35.983,89 11.45,90 41.432,91 17.327,92 0.624,93 1.297,94 29.957,95 9.142,96 53.525,97 13.334,98 0.301,99 1.272,100 27.674,101 10.211,102 31.844,103 14.645,104 14,105 44,106 0.242,107 0.562,108 0.754,109 0.841,110 0.841,111 0.841,112 3.407,113 0.965,114 -3.38,115 -3.36,116 -3.22,119 39.7,121 2,124 1,125 6,127 1,140 7,141 3,142 2,156 1,161 1,162 1,163 1,169 9,172 9,173 1,174 1,176 1,178 11,180 1,181 1,182 8,186 2,189 9,191 2,192 1,193 5,197 2,199 4,201 2,202 1,203 8,208 2,211 1,213 2,215 5,225 2,226 3,228 1,229 1,231 1,233 2,235 1,236 1,237 2,244 2,248 1,249 5,251 1,252 1,256 2,259 1354,260 19.886,261 19.886,262 19.886,263 19.886,264 19.886,265 18.343,266 28.682,267 11.658,268 20.403,269 15.714,270 15.714,271 15.714,272 15.714,273 15.714,274 13.275,275 37.017,276 5.428,277 16.44,278 4.387,279 2.437,280 1.269,281 0.737,282 0.737,283 0.737,284 4.108,288 1,289 1,290 868,291 3.162,295 356.634,299 137.928,302 2.105,303 22.755,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 62.5,315 400,316 4.384,317 3.522,318 6.529,319 4.063,320 3.077,321 4.006,322 1.151,323 10.291,324 3.037,325 4.142,326 3.368,327 6.149,328 3.833,329 2.89,330 3.691,331 0.98,332 9.079,333 2.727,334 3.932,335 3.151,336 5.903,337 3.643,338 2.645,339 3.265,340 0.86,341 8.139,342 2.632,343 3.702,344 2.827,345 5.364,346 3.439,347 2.501,348 2.942,349 0.8,350 7.003,351 2.339,352 3.444,353 2.683,354 5.278,355 3.237,356 2.31,357 2.502,358 0.8,359 6.706,360 2.137,361 3.165,362 2.465,363 5.133,364 2.958,365 1.99,366 2.253,368 6,369 1.916,370 2.883,371 1.979,372 4.345,373 2.534,374 1.571,375 1.971,377 4.131,378 1.507,379 2.695,380 1.793,381 4.185,382 2.437,383 1.495,384 1.714,386 3.811,387 1.4,388 2.586,389 1.739,390 3.783,391 2.179,392 1.182,393 1.559,395 2.832,396 1.163,397 2.5,398 1.188,399 3.446,400 2,401 1.02,402 1.5,404 2.393,405 1,406 2.211,407 1.146,408 3.414,409 1.988,410 1,411 1.176,413 2.275,414 0.98,415 2,416 1.045,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 1.713,425 1,426 3.158,427 1.557,428 0.606,429 0.656,431 1.394,432 0.57,433 1.595,434 0.762,435 2.803,436 1.356,437 0.474,438 0.519,440 0.763,441 0.415,442 0.968,443 0.174,444 2.508,445 0.78,446 -0.17,447 -0.182,449 -0.39,450 -0.16,451 13.7,452 0.472,453 0.623,454 0.021,455 33.5,456 1.155,457 14.5,458 0.5,459 19,460 0.655,461 26.549,462 0.915,463 32.5,464 0.56,465 24.322,466 0.839,467 6.719,468 0.232,469 7.417,470 0.256,471 0.09,473 0.314,479 0.85,480 1.408,481 0.865,482 1.202,483 0.712,484 1.053,485 1.24,486 1.042,487 1.003,488 0.934,489 0.602,490 0.924,491 1.118,492 0.993,493 1.08,494 1.015,495 0.802,496 1.032,497 0.804,498 1.201,499 1.141,500 1.258,501 0.804,502 1.256,503 0.526,504 1.061,505 0.876,506 1.066,507 0.574,508 1.032,509 0.932,510 0.964,511 0.875,512 0.897,513 0.845,514 0.876,515 1.356,516 0.844,517 1.144,518 0.857,519 1.195,520 0.947,521 0.891,522 1.19,523 1.181,524 1.236,525 0.906,526 1.259,527 5.5,528 0.116,529 3.556,530 1.25,531 1.351,532 1.014,533 0.548,534 0.241,535 0.233,536 0.234,537 12346,538 30171,539 2.111,540 50,542 23,545 2,547 2,548 2,550 1.712,551 2,552 3.709,553 0.194,554 1,555 1,559 85.33,560 1.471,561 3.421,562 4.589,563 5.121,564 5.121,565 5.121,566 3.195,567 4.444,568 4.827,569 3.888,570 1578.55,571 8.37,572 22413.9,574 1,576 1,577 339.763,578 1.314,579 4.8,580 0.172,581 0.005,582 0.081,583 0.027,584 0.036,585 0.031,586 0.018,587 0.008,588 0.01,589 0.011,590 0.398,591 0.33,592 1,593 0.772,594 150.741,595 -0.024,596 -0.158,597 0.067,598 -0.065,599 -0.039,600 0.003,601 -0.109,602 0.098,603 -0.012,604 0.09,605 0.101,606 0.061,607 -0.13,608 0.082,609 -0.106,610 0.006,611 -0.005,612 -0.036,613 -0.034,614 -0.189,615 -0.199,616 -0.22,617 -0.046,618 -0.235,619 0.094,620 -0.138,621 0.066,622 -0.08,623 0.03,624 -0.023,625 -0.019,626 -0.038,627 0.114,628 0.035,629 -0.025,630 0.087,631 -0.02,632 0.158,633 -0.112,634 0.078,635 -0.029,636 -0.013,637 -0.049,638 -0.212,639 -0.227,640 -0.218,641 -0.117,642 -0.251,643 2.037,644 4.436,645 0.759,646 31.658,647 0.996,648 1.13,649 2.151,650 4.628,651 0.643,652 3.497,653 3.807,654 4.078,655 4.29,656 4.554,657 4.625,658 4.736,659 4.736,660 4.875,661 4.927,662 7.81,663 0.604,664 395.55,665 3.497,666 5.03,667 5.878,668 6.742,669 7.603,670 8.472,671 9.338,672 10.208,673 11.077,674 11.949,675 5.2,678 1,681 1,682 1,688 7,693 5,695 12,701 1,709 1,712 1,714 58,716 13,717 2,718 32,720 61,721 23,722 12,723 5,724 7,725 1,730 4,731 5,740 2,743 3,745 13,746 10,750 1,755 1,759 1,761 1,764 29,765 6,766 2,767 6,773 3,777 0.75,778 3,793 4,797 1,815 1,818 1,819 3,823 1,827 29,828 1,833 8,835 2,837 1,838 2,847 5.2,850 1,851 1,852 1,854 14.5,855 10.4,856 6.444,857 3.522,858 2.198,859 1.281,860 0.98,861 6.383,862 10.023,863 3.689,864 4.205,865 4.714,866 5.18,867 5.687,868 5.826,869 6.041,870 5.975,871 6.151,872 6.221,873 1,874 46,875 10.753,877 4.526,878 7.615,879 21.064,881 17.565,883 2.115,884 61.333,887 1,888 317.82,889 119.668,890 39.146,892 47.145,895 119.668,896 364.964,897 39.146,898 10.883,899 53.087,900 66.334,901 40.849,902 34.805,904 317.82,906 317.82,907 158.814,908 47.145,911 270.735,912 83.229,913 11,915 56.211,916 102.603,919 317.82,920 86.291,921 119.668,924 317.82,925 42.452,926 83.465,928 80.042,929 317.82,930 86.291,931 119.668,933 0.579,934 0.341,935 0.174,936 0.098,937 21,938 9,939 0.098,940 6,941 1,942 1.091,943 4.189,944 247.473,945 0.091,946 22,947 132.881,951 20.205,952 9.161,953 4.744,955 86.291,956 14.049,961 5.127,963 32.897,964 523.779,965 39,970 11.436,974 -0.37,975 57.774,976 65.521,977 0.251,978 0.584,979 0.783,980 0.874,981 0.874,982 0.874,983 4.934,984 1.495,985 5.849,986 4.131,987 4.489,988 4.89,989 2.194,990 6.632,991 4.41,992 6.095,993 1.182,994 7.393,995 3.811,996 4.007,997 4.59,998 0.57,999 7.489,1000 3.896,1001 7.377,1002 1.02,1003 9.034,1004 2.832,1005 6.061,1006 6.949,1007 2.124,1008 10.54,1009 5.916,1010 8.69,1011 1,1012 10.733,1013 2.393,1014 6.399,1015 7.466,1016 0.479,1017 12.216,1018 6.228,1019 10.036,1020 1,1021 12.468,1022 2.275,1023 7.898,1024 9.314,1025 2.171,1026 14.773,1027 7.701,1028 11.403,1029 0.606,1030 14.228,1031 2.275,1032 8.616,1033 10.21,1034 0.346,1035 16.792,1036 8.399,1037 12.787,1038 0.474,1039 16.005,1040 1.394,1041 9.881,1042 11.834,1043 2.281,1044 19.181,1045 9.642,1046 3.077,1047 -0.17,1048 17.796,1049 0.763,1050 10.786,1051 12.929,1052 0.237,1053 21.355,1054 10.532,1055 2.89,1056 10.291,1057 19.597,1058 -0.39,1059 11.949,1060 14.44,1061 2.437,1062 23.686,1063 11.675,1064 2.645,1065 9.079,1066 21.406,1067 4.006,1068 12.949,1069 15.646,1070 0.158,1071 25.933,1072 12.662,1073 2.501,1074 8.139,1075 23.223,1076 3.691,1077 14.069,1078 17.096,1079 2.626,1080 28.247,1081 13.765,1082 2.31,1083 7.003,1084 25.045,1085 3.265,1086 15.117,1087 18.369,1088 0.104,1089 30.528,1090 14.801,1091 1.99,1092 6.706,1093 26.873,1094 2.942,1095 16.221,1096 19.784,1097 2.841,1098 32.839,1099 15.891,1100 1.571,1101 6,1102 28.705,1103 2.502,1104 17.295,1105 21.097,1106 0.068,1107 35.138,1108 16.953,1109 11690,1110 18366,1111 21.671,1112 37.279,1113 47.782,1114 48.586,1115 48.811,1116 47.519,1117 47.526,1118 57.509,1119 9.181,1120 134.183,1121 45.577,1122 5.384,1123 5.522,1124 6.08,1125 5.148,1126 5.077,1127 7.006,1128 2.302,1129 17.149,1130 5.037,1131 13,1132 1.493,1133 1.518,1134 1.525,1135 1.485,1136 1.485,1137 1.797,1138 0.287,1139 4.193,1140 1.424,1141 4.031,1142 4.062,1143 3.97,1144 3.952,1145 7.437,1146 3.952,1147 3.946,1148 3.982,1149 3.883,1150 3.847,1151 4.908,1152 3.851,1153 3.754,1154 3.809,1155 3.648,1156 3.586,1157 4.869,1158 3.592,1159 3.57,1160 3.608,1161 3.481,1162 3.388,1163 4.746,1164 3.4,1165 3.38,1166 3.452,1167 3.228,1168 3.215,1169 4.444,1170 3.202,1171 3.241,1172 3.309,1173 3.099,1174 2.999,1175 4.385,1176 3.017,1177 3.215,1178 3.282,1179 3.048,1180 2.946,1181 4.238,1182 2.96,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.835,1188 2.91,1189 0.137,1190 0.11,1191 0.204,1192 0.127,1193 0.096,1194 4.384,1195 0.125,1196 3.522,1197 0.036,1198 6.529,1199 0.322,1200 4.063,1201 0.095,1202 3.077,1203 4.006,1204 1.151,1205 10.291,1206 3.037,1207 1.986,1208 1.966,1209 2.096,1210 2.093,1211 1.381,1212 2.095,1213 1.911,1214 1.878,1215 2.037,1216 2.05,1217 1.295,1218 2.05,1219 1.724,1220 1.663,1221 1.91,1222 1.902,1223 1.084,1224 1.907,1225 1.515,1226 1.473,1227 1.727,1228 1.73,1229 0.992,1230 1.722,1231 1.38,1232 1.311,1233 1.657,1234 1.593,1235 0.859,1236 1.617,1237 1.19,1238 1.119,1239 1.564,1240 1.493,1241 0.825,1242 1.518,1243 1.153,1244 1.073,1245 1.513,1246 1.436,1247 0.576,1248 1.429,1249 1.132,1250 1.064,1251 1.361,1252 1.376,1253 0.496,1254 1.425,1255 4.174,1257 5.485,1259 7,1261 8.603,1263 10.25,1265 1.693,1269 5.418,1271 7.66,1273 11.288,1275 0.097,1276 4.934,1280 35.057,1281 85.33,1282 198.412,1283 266.137,1284 297.008,1285 297.008,1286 297.008,1287 45.654,1288 7.825,1289 68.03,1290 68.03,1291 24,1292 12.491,1293 3.807,1294 3,1295 45.121,1296 138,1297 144,1298 0.159,1299 213.701,1300 376.11,1301 513.189,1302 30242,1304 20.217,1305 0.697,1306 0.585,1307 20.217,1308 16.972,1309 14.135,1310 0.442,1311 0.322,1312 10.133,1313 13.528,1314 9.908,1315 8.129,1316 14.135,1317 10.294,1318 12.479,1319 0.284,1320 0.175,1321 12.479,1322 7.703,1323 10.752,1324 0.185,1325 0.103,1326 10.752,1327 5.982,1328 8.562,1329 0.119,1330 0.059,1331 8.562,1332 4.252,1333 7.119,1334 0.076,1335 0.033,1336 7.119,1337 3.101,1338 0.259,1339 88.889,1340 0.215,1341 28.161,1342 0.413,1343 152,1344 411.809,1345 166.159,1346 389.472,1347 531.25,1348 368,1349 178,1350 381.502,1351 192.19,1352 385.858,1353 563.66,1354 363,1355 8.42} {0 CHEMBL71640,1 1.316,2 8.043,3 4.53,4 20.521,5 95.827,6 6.336,7 0.385,8 3.966,9 4.101,10 3.413,11 3.536,12 4.861,13 3.475,14 4.559,15 4.764,16 3.713,17 3.947,18 5.338,19 3.845,20 4.837,21 5.089,22 3.818,23 4.106,24 5.57,25 3.978,26 4.941,27 5.195,28 3.84,29 4.185,30 5.694,31 4.042,32 5.018,33 5.28,34 3.77,35 4.223,36 5.71,37 4.043,38 5.077,39 5.373,40 3.652,41 4.155,42 5.76,43 3.952,44 4.935,45 5.247,46 3.416,47 3.969,48 5.62,49 3.752,50 4.627,51 4.92,52 3.245,53 3.733,54 5.351,55 3.54,56 0.053,57 0.703,58 11.874,59 4.975,60 7.938,61 7.098,62 0.143,63 1.182,64 21.734,65 8.373,66 13.496,67 12.283,68 0.191,69 1.478,70 28.681,71 10.799,72 20.192,73 16.045,74 0.286,75 1.598,76 31.934,77 12.109,78 27.444,79 17.787,80 0.192,81 1.671,82 34.015,83 13.891,84 24.19,85 20.04,86 0.286,87 1.685,88 36.36,89 13.966,90 32.319,91 20.384,92 0.311,93 1.416,94 31.599,95 11.846,96 32.876,97 17.413,98 0.171,99 1.069,100 23.067,101 8.898,102 21.49,103 12.969,104 10,105 37,106 0.225,107 0.554,108 0.789,109 0.865,110 0.865,111 0.865,112 3.19,113 1.051,114 -4.31,115 -4.25,116 -4.01,119 40.8,120 1,121 6,122 1,125 2,127 1,140 2,141 4,149 1,150 1,153 1,169 12,172 5,176 3,178 11,182 6,186 2,189 11,193 3,195 1,197 2,199 10,203 5,208 1,211 14,215 3,218 1,220 1,222 12,225 1,226 1,233 10,242 2,244 8,249 2,254 3,256 3,259 663,260 16.118,261 16.118,262 16.118,263 16.118,264 16.118,265 14.916,266 14.201,267 9.437,268 16.256,269 12.756,270 12.756,271 12.756,272 12.756,273 12.756,274 10.795,275 15.648,276 4.306,277 12.988,278 4.299,279 2.372,280 0.995,281 0.546,282 0.546,283 0.546,284 3.879,288 1,289 1,290 408,291 3.24,292 39.372,294 43.112,295 90.861,298 73.113,299 77.623,302 1.18,303 13.13,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 48,315 185,316 4.687,317 3.41,318 6.919,319 4.258,320 3.266,321 4.646,322 0.8,323 11.66,324 3.241,325 3.98,326 3.115,327 6.192,328 3.847,329 2.889,330 3.366,332 9.257,333 2.775,334 3.786,335 2.89,336 5.843,337 3.596,338 2.601,339 2.875,341 8.033,342 2.586,343 3.507,344 2.583,345 5.453,346 3.374,347 2.395,348 2.785,350 7.211,351 2.336,352 3.406,353 2.473,354 5.112,355 2.965,356 1.977,357 2.503,359 5.896,360 1.948,361 2.957,362 1.966,363 4.644,364 2.62,365 1.621,366 2.095,368 4.647,369 1.619,370 2.603,371 1.65,372 4.356,373 2.523,374 1.546,375 1.608,377 4.09,378 1.507,379 2.395,380 1.594,381 3.7,382 1.969,383 0.985,384 1.27,386 2.165,387 0.967,388 2.067,389 1.048,390 3.314,391 1.827,392 0.856,393 0.996,395 1.925,396 0.822,397 2.02,398 0.915,399 3.187,400 1.791,401 0.792,402 0.893,404 1.701,405 0.791,406 1.885,407 0.77,408 2.854,409 1.406,410 0.327,411 0.521,413 0.522,414 0.35,415 1.146,416 0.214,417 2.693,418 1.098,419 0.114,420 0.116,422 0.242,423 0.112,424 0.864,425 -0.182,426 2.523,427 0.627,428 -0.358,429 -0.406,431 -0.792,432 -0.351,433 0.77,434 -0.377,435 2.251,436 0.402,437 -0.604,438 -0.713,440 -1.368,441 -0.606,442 0.355,443 -0.596,444 2.163,445 0.267,446 -0.71,447 -0.766,449 -1.542,450 -0.691,451 11.133,452 0.484,453 0.462,454 0.02,455 24,456 1.043,457 9.5,458 0.413,459 14.5,460 0.63,461 23.537,462 1.023,463 25.467,464 0.52,465 14.052,466 0.611,467 4.01,468 0.174,469 7.286,470 0.317,471 0.075,473 0.35,479 0.734,480 1.297,481 0.936,482 1.124,483 0.485,484 1.055,485 0.941,486 1.166,487 1.037,488 1.059,489 0.581,490 1.049,491 0.791,492 1.061,493 0.929,494 0.974,495 0.417,496 0.956,497 0.891,498 0.967,499 1.016,500 0.983,501 0.671,502 0.999,503 0.645,504 1.148,505 1.025,506 1.173,507 0.638,508 1.139,509 0.819,510 0.982,511 0.957,512 1.014,513 0.871,514 1.003,515 0.902,516 0.815,517 0.919,518 0.865,519 1.018,520 0.891,521 0.887,522 0.912,523 0.94,524 0.952,525 0.998,526 0.951,527 4,528 0.02,529 2.722,530 1.313,531 1.303,532 0.74,533 0.512,534 0.292,535 0.179,536 0.092,537 5432,538 10031,539 2.168,540 53.1,541 9,542 7,543 1,544 1,545 1,547 7,550 1.664,551 2.06,552 3.023,553 -0.412,559 64.471,560 1.316,561 3.242,562 4.62,563 5.069,564 5.069,565 5.069,566 2.442,567 4.143,568 4.495,569 3.166,570 801.066,571 7.774,572 8924.59,574 1,577 275.121,578 1.302,579 4.469,580 0.154,581 0.007,582 0.08,583 0.035,584 0.035,585 0.022,586 0.018,587 0.013,588 0.009,589 0.007,590 0.381,591 0.5,592 1,593 1.006,594 105.422,595 0.012,596 -0.066,597 0.071,598 0.017,599 0.06,600 0.043,601 -0.076,602 -0.031,603 -0.038,604 -0.014,605 -0.004,606 -0.021,607 -0.002,608 -0.004,609 0.052,610 0.025,611 0.072,612 0.042,613 0.015,614 0.073,615 -0.031,616 0.012,617 0.052,618 -0.007,619 0.022,620 -0.172,621 -0.074,622 -0.154,623 0.029,624 -0.127,625 0.045,626 -0.056,627 0.003,628 -0.051,629 0.009,630 -0.032,631 0.046,632 0.086,633 0.045,634 0.076,635 -0.026,636 0.062,637 -0.013,638 0.016,639 0.022,640 0.016,641 -0.052,642 0.022,643 1.003,644 4.409,645 0.696,646 16.934,647 0.982,648 1.126,649 3.082,650 9.502,651 0.645,652 3.296,653 3.638,654 3.932,655 4.248,656 4.511,657 4.644,658 4.787,659 4.949,660 5.03,661 4.99,662 5.126,663 0.593,664 310.48,665 3.296,666 4.844,667 5.727,668 6.629,669 7.532,670 8.442,671 9.351,672 10.263,673 11.175,674 12.089,675 4.1,678 1,683 1,687 2,688 3,690 1,693 3,695 10,696 1,714 49,716 11,717 1,718 26,720 52,721 20,722 8,723 4,724 2,725 1,730 4,731 7,736 1,740 6,741 1,743 7,745 9,746 11,747 1,750 1,755 1,757 1,761 1,764 26,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,790 1,792 1,793 2,796 1,797 1,815 1,819 2,823 1,827 23,833 8,837 2,838 1,847 2,850 1,854 11.167,855 8.867,856 5.139,857 3.496,858 2.226,859 1.305,860 1,861 4.085,862 9.529,863 3.497,864 4.065,865 4.681,866 5.315,867 5.839,868 6.223,869 6.596,870 7,871 7.114,872 7.253,873 1,874 37,875 8.58,877 3.706,878 7.435,879 17.39,881 15.44,883 1.935,884 44.5,885 0.001,887 1,888 294.278,889 81.942,890 19.91,892 25.145,895 81.942,896 319.422,897 19.91,898 8.825,899 19.419,900 28,901 48.34,902 32.04,903 13.915,904 270.735,906 294.278,907 101.852,908 25.145,911 211.88,912 107.543,915 48.154,916 42.274,917 11.424,919 294.278,920 45.055,921 81.942,924 294.278,925 33.692,926 51.374,927 16.786,928 25.145,929 294.278,930 45.055,931 81.942,933 0.575,934 0.335,935 0.195,936 0.11,937 20,938 8,939 0.115,940 6,941 2,942 1.25,943 3.545,944 194.58,945 0.25,946 16,947 102.042,951 15.108,952 6.22,953 3.003,954 2.279,955 28.269,956 6.245,958 3.256,961 3.681,963 16.786,964 421.274,965 32,970 11.409,972 0.997,975 48.134,976 55.188,977 0.234,978 0.577,979 0.823,980 0.903,981 0.903,982 0.903,983 4.758,984 0.985,985 5.714,986 4.09,987 4.317,988 4.749,989 0.673,990 6.572,991 4.283,992 5.953,993 0.856,994 7.299,995 2.165,996 4.007,997 4.663,998 0.325,999 7.612,1000 3.955,1001 7.268,1002 0.792,1003 8.987,1004 1.925,1005 5.969,1006 6.974,1007 0.379,1008 10.705,1009 5.9,1010 8.621,1011 0.327,1012 10.734,1013 1.701,1014 6.463,1015 7.787,1016 0.268,1017 12.561,1018 6.379,1019 10.013,1020 0.114,1021 12.519,1022 0.522,1023 7.913,1024 9.601,1025 0.239,1026 15.203,1027 7.815,1028 11.431,1029 -0.358,1030 14.33,1031 0.242,1032 8.766,1033 10.825,1034 0.188,1035 17.399,1036 8.656,1037 12.871,1038 -0.604,1039 16.161,1040 -0.792,1041 10.024,1042 12.461,1043 0.156,1044 19.901,1045 9.903,1046 3.266,1047 -0.71,1048 18.007,1049 -1.368,1050 11.043,1051 13.867,1052 0.125,1053 22.243,1054 10.913,1055 2.889,1056 11.66,1057 19.865,1058 -1.542,1059 12.231,1060 15.438,1061 0.102,1062 24.702,1063 12.091,1064 2.601,1065 9.257,1066 21.734,1067 4.646,1068 13.326,1069 16.92,1070 0.082,1071 27.105,1072 13.18,1073 2.395,1074 8.033,1075 23.612,1076 3.366,1077 14.492,1078 18.468,1079 0.066,1080 29.554,1081 14.339,1082 1.977,1083 7.211,1084 25.496,1085 2.875,1086 15.624,1087 19.982,1088 0.054,1089 31.985,1090 15.465,1091 1.621,1092 5.896,1093 27.388,1094 2.785,1095 16.785,1096 21.521,1097 0.043,1098 34.434,1099 16.621,1100 1.546,1101 4.647,1102 29.285,1103 2.503,1104 17.936,1105 23.048,1106 0.035,1107 36.877,1108 17.767,1109 5158,1110 7142,1111 17.8,1112 31.603,1113 39.511,1114 40.676,1115 40.534,1116 38.822,1117 38.735,1118 47.35,1119 1.6,1120 114.7,1121 38.106,1122 5.665,1123 5.41,1124 6.682,1125 5.298,1126 5.266,1127 7.646,1128 1.2,1129 18.942,1130 5.241,1131 8.625,1132 1.52,1133 1.564,1134 1.559,1135 1.493,1136 1.49,1137 1.821,1138 0.062,1139 4.412,1140 1.466,1141 4.167,1142 4.197,1143 4.126,1144 4.093,1145 7.452,1146 4.098,1147 3.932,1148 3.988,1149 3.813,1150 3.817,1151 4.934,1152 3.807,1153 3.741,1154 3.799,1155 3.626,1156 3.613,1157 4.405,1158 3.61,1159 3.578,1160 3.65,1161 3.421,1162 3.433,1163 4.283,1164 3.418,1165 3.359,1166 3.406,1167 3.235,1168 3.233,1169 4.127,1170 3.225,1171 3.153,1172 3.219,1173 3.02,1174 2.928,1175 3.955,1176 2.93,1177 3.034,1178 3.12,1179 2.845,1180 2.863,1181 3.661,1182 2.852,1183 2.993,1184 3.067,1185 2.807,1186 2.734,1187 3.54,1188 2.747,1189 0.18,1190 0.131,1191 0.266,1192 0.164,1193 0.126,1194 4.687,1195 0.179,1196 3.41,1197 0.031,1198 6.919,1199 0.448,1200 4.258,1201 0.125,1202 3.266,1203 4.646,1204 0.8,1205 11.66,1206 3.241,1207 2.031,1208 2.008,1209 2.137,1210 2.114,1211 1.477,1212 2.123,1213 1.715,1214 1.653,1215 1.937,1216 1.901,1217 1.214,1218 1.913,1219 1.556,1220 1.515,1221 1.772,1222 1.767,1223 1.037,1224 1.762,1225 1.526,1226 1.464,1227 1.682,1228 1.688,1229 0.98,1230 1.705,1231 1.382,1232 1.312,1233 1.651,1234 1.57,1235 0.825,1236 1.602,1237 1.153,1238 1.072,1239 1.513,1240 1.376,1241 0.779,1242 1.429,1243 1.142,1244 1.064,1245 1.442,1246 1.34,1247 0.67,1248 1.378,1249 0.958,1250 0.894,1251 1.316,1252 1.241,1253 0.5,1254 1.242,1255 3.97,1256 1.946,1257 5.303,1258 3.932,1259 6.847,1260 5.82,1261 8.49,1262 7.673,1263 10.187,1265 2.283,1271 10.04,1275 1.583,1276 2.729,1280 29.079,1281 64.471,1282 158.882,1283 226.366,1284 248.366,1285 248.366,1286 248.366,1287 31.451,1288 7.303,1289 36.1,1290 36.1,1291 20,1292 12.602,1293 3.585,1294 2.807,1295 31.638,1296 71,1297 66,1298 0.225,1299 175.992,1300 300.91,1301 421.179,1302 13057,1304 15.811,1305 0.687,1306 0.608,1307 15.811,1308 13.976,1309 11.296,1310 0.434,1311 0.35,1312 9.045,1313 11.049,1314 8.82,1315 7.292,1316 11.296,1317 9.109,1318 9.885,1319 0.267,1320 0.198,1321 9.885,1322 7.323,1323 8.383,1324 0.168,1325 0.106,1326 8.383,1327 5.324,1328 7.279,1329 0.105,1330 0.06,1331 7.279,1332 4.125,1333 6.107,1334 0.068,1335 0.035,1336 6.107,1337 3.184,1338 0.34,1339 69.514,1340 0.237,1341 22.081,1342 0.657,1343 126,1344 261.714,1345 131.575,1346 257.651,1347 361.98,1348 244,1349 153,1350 269.164,1351 159.325,1352 276.356,1353 409.64,1354 262,1355 7.62} {0 CHEMBL71663,1 1.276,2 8.625,3 6.427,4 41.306,5 101.026,6 6.01,7 0.385,8 4.054,9 4.202,10 3.435,11 3.586,12 4.93,13 3.513,14 4.671,15 4.896,16 3.786,17 4.013,18 5.458,19 3.906,20 4.963,21 5.228,22 3.917,23 4.189,24 5.736,25 4.058,26 5.049,27 5.307,28 3.961,29 4.277,30 5.824,31 4.138,32 5.146,33 5.413,34 3.885,35 4.322,36 5.878,37 4.145,38 5.219,39 5.522,40 3.748,41 4.275,42 5.932,43 4.068,44 5.104,45 5.422,46 3.57,47 4.133,48 5.787,49 3.909,50 4.898,51 5.207,52 3.377,53 3.934,54 5.603,55 3.717,56 0.062,57 0.84,58 13.713,59 5.677,60 7.31,61 8.155,62 0.156,63 1.386,64 24.916,65 9.5,66 16.309,67 13.995,68 0.315,69 1.755,70 33.109,71 12.165,72 30.441,73 17.991,74 0.268,75 1.934,76 36.111,77 13.597,78 27.958,79 19.725,80 0.273,81 2.033,82 39.265,83 15.333,84 29.731,85 21.99,86 0.392,87 2.041,88 41.905,89 15.523,90 42.922,91 22.417,92 0.364,93 1.734,94 36.714,95 13.717,96 39.606,97 20.128,98 0.251,99 1.448,100 30.086,101 11.139,102 28.968,103 16.215,104 36,105 36,106 0.214,107 0.48,108 0.706,109 0.774,110 0.811,111 0.811,112 3.23,113 1.123,114 -5.96,115 -5.81,116 -5.41,119 38.2,120 3,121 7,125 2,127 1,140 1,141 4,142 1,149 1,150 1,169 12,172 4,176 2,178 12,182 4,186 3,189 11,193 2,197 3,199 12,203 2,208 2,211 16,215 1,218 1,220 1,222 14,226 1,233 11,237 1,242 2,244 7,254 2,256 4,259 794,260 16.593,261 16.593,262 16.593,263 16.593,264 16.593,265 15.399,266 18.821,267 10.038,268 16.806,269 12.744,270 12.744,271 12.744,272 12.744,273 12.744,274 10.821,275 20.238,276 4.487,277 13.13,278 4.506,279 2.925,280 1.578,281 1.173,282 0.95,283 0.95,284 3.911,289 1,290 431,291 3.536,294 44.127,295 96.124,298 75.943,299 82.101,302 1.24,303 17.158,306 0.75,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.94,314 50.5,315 207,316 4.74,317 3.487,318 7.001,319 4.305,320 3.319,321 4.715,322 0.8,323 11.957,324 3.272,325 3.965,326 3.103,327 6.185,328 3.791,329 2.841,330 3.357,332 9.189,333 2.707,334 3.746,335 2.773,336 5.883,337 3.446,338 2.466,339 3.164,341 8.062,342 2.406,343 3.649,344 2.713,345 5.668,346 3.285,347 2.335,348 2.749,350 7.406,351 2.203,352 2.969,353 1.977,354 4.789,355 2.69,356 1.699,357 2.106,359 4.994,360 1.683,361 2.675,362 1.734,363 4.419,364 2.595,365 1.617,366 1.686,368 4.271,369 1.578,370 2.504,371 1.558,372 3.952,373 2.237,374 1.247,375 1.504,377 3.008,378 1.233,379 2.247,380 1.298,381 3.702,382 2.194,383 1.237,384 1.247,386 2.167,387 1.178,388 2.084,389 0.982,390 3.247,391 1.886,392 0.907,393 1.032,395 2.117,396 0.883,397 2.053,398 0.906,399 3.173,400 1.785,401 0.825,402 0.995,404 1.649,405 0.79,406 1.689,407 0.768,408 2.933,409 1.639,410 0.663,411 0.674,413 1.052,414 0.645,415 1.156,416 0.327,417 2.681,418 0.892,419 -0.048,420 -0.055,422 -0.114,423 -0.044,424 0.907,425 -0.078,426 2.565,427 0.685,428 -0.303,429 -0.343,431 -0.57,432 -0.299,433 0.555,434 -0.287,435 2.241,436 0.521,437 -0.445,438 -0.445,440 -0.632,441 -0.428,442 0.444,443 -0.371,444 2,445 0.241,446 -0.745,447 -0.827,449 -1.594,450 -0.703,451 11.586,452 0.483,453 0.483,454 0.02,455 22.5,456 0.938,457 8,458 0.333,459 14.5,460 0.604,461 28.59,462 1.191,463 28.014,464 0.509,465 13.287,466 0.554,467 3.589,468 0.15,469 8.1,470 0.338,471 0.154,473 0.337,477 1,479 0.667,480 1.253,481 1.002,482 1.232,483 0.552,484 1.167,485 0.757,486 1.08,487 0.95,488 1.056,489 0.511,490 1.025,491 0.818,492 0.95,493 0.895,494 0.934,495 0.694,496 0.921,497 0.978,498 1.073,499 1.01,500 1.043,501 0.827,502 1.028,503 0.918,504 1.155,505 1.091,506 1.189,507 0.955,508 1.167,509 1.12,510 1.004,511 1.065,512 1.019,513 1.185,514 1.034,515 0.773,516 0.853,517 0.936,518 0.941,519 0.811,520 0.955,521 1.005,522 1.005,523 1.033,524 1.027,525 1.027,526 1.032,527 4,528 0.033,529 2.889,530 1.625,531 1.699,532 0.886,533 0.658,534 0.42,535 0.247,536 0.161,537 5329,538 9535,539 2.04,540 56.4,541 15,542 6,543 1,545 1,547 8,550 1.677,551 1.895,552 3.11,553 -0.424,559 70.156,560 1.276,561 2.856,562 4.203,563 4.608,564 4.831,565 4.831,566 2.507,567 4.085,568 4.552,569 3.226,570 890.416,571 7.9,572 10151.3,577 317.975,578 1.459,579 4.507,580 0.154,581 0.006,582 0.08,583 0.041,584 0.041,585 0.025,586 0.022,587 0.017,588 0.012,589 0.011,590 0.409,591 0.5,592 0.88,593 1.563,594 111.621,595 0.009,596 -0.078,597 0.052,598 -0.01,599 -0.005,600 0.019,601 0.001,602 -0.039,603 0.065,604 0.026,605 0.055,606 0.048,607 0.087,608 0.058,609 0.108,610 0.083,611 0.075,612 0.095,613 -0.029,614 -0.035,616 -0.01,617 0.03,618 -0.002,619 -0.03,620 -0.143,621 -0.106,622 -0.152,623 -0.042,624 -0.141,625 -0.05,626 -0.011,627 -0.081,628 -0.052,629 -0.08,630 -0.067,631 0.055,632 0.037,633 0.008,634 0.007,635 0.012,636 0.002,637 -0.045,638 -0.061,639 -0.067,640 -0.07,641 -0.045,642 -0.07,643 1.747,644 6.483,645 0.542,646 18.931,647 0.981,648 1.138,649 4.729,650 22.364,651 0.625,652 3.296,653 3.611,654 3.951,655 4.29,656 4.554,657 4.71,658 4.875,659 5.024,660 5.063,661 5.004,662 5.264,663 0.57,664 330.54,665 3.296,666 4.828,667 5.7,668 6.603,669 7.506,670 8.421,671 9.337,672 10.257,673 11.178,674 12.102,675 3.6,678 1,683 1,687 2,688 2,690 1,693 4,695 10,713 1,714 55,716 10,717 1,718 26,720 57,721 21,722 8,723 5,724 1,730 3,731 6,736 3,740 4,743 8,745 8,746 13,762 1,764 31,765 2,766 1,767 3,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 3,825 1,827 24,833 9,837 1,838 1,846 1,854 12.667,855 10.593,856 5.583,857 4.219,858 2.129,859 1.292,860 0.968,861 5.731,862 9.421,863 3.466,864 4.047,865 4.697,866 5.354,867 5.886,868 6.293,869 6.67,870 7.049,871 7.161,872 7.236,873 0.833,874 40,875 8.995,877 3.765,878 7.472,879 18.091,881 15.332,883 1.972,884 47.333,885 0.001,888 353.133,889 90.347,890 19.91,893 14.96,895 90.347,896 353.133,897 34.87,898 26.476,899 21.953,900 18.524,902 41.161,903 28.875,904 341.362,906 353.133,907 110.257,908 14.96,911 273.924,912 94.169,915 68.339,916 41.919,919 368.093,920 19.91,921 90.347,924 353.133,925 45.348,926 48.124,927 16.786,928 14.96,929 353.133,930 34.87,931 90.347,933 0.558,934 0.345,935 0.212,936 0.123,937 17,938 8,939 0.123,940 7,941 2,942 1.308,943 3.45,944 200.836,945 0.308,946 13,947 104.039,951 17.635,952 7.8,953 3.461,954 1.903,955 18.084,956 3.807,958 3.197,961 3.857,963 16.786,964 478.35,965 31,975 53.97,976 62.564,977 0.221,978 0.494,979 0.727,980 0.797,981 0.836,982 0.836,983 4.714,984 1.237,985 5.687,986 3.008,987 4.29,988 4.732,989 0.673,990 6.558,991 4.232,992 5.902,993 0.907,994 7.277,995 2.167,996 3.892,997 4.677,998 0.325,999 7.585,1000 3.793,1001 7.223,1002 0.825,1003 8.974,1004 2.117,1005 5.922,1006 6.994,1007 0.379,1008 10.746,1009 5.813,1010 8.589,1011 0.663,1012 10.735,1013 1.649,1014 6.399,1015 7.862,1016 0.268,1017 12.622,1018 6.257,1019 9.997,1020 -0.048,1021 12.535,1022 1.052,1023 7.879,1024 9.672,1025 0.239,1026 15.306,1027 7.729,1028 11.434,1029 -0.303,1030 14.363,1031 -0.114,1032 8.748,1033 10.935,1034 0.188,1035 17.529,1036 8.577,1037 12.894,1038 -0.445,1039 16.21,1040 -0.57,1041 10.025,1042 12.572,1043 0.156,1044 20.064,1045 9.845,1046 3.319,1047 -0.745,1048 18.072,1049 -0.632,1050 11.07,1051 14.005,1052 0.125,1053 22.434,1054 10.876,1055 2.841,1056 11.957,1057 19.946,1058 -1.594,1059 12.277,1060 15.583,1061 0.102,1062 24.924,1063 12.073,1064 2.466,1065 9.189,1066 21.829,1067 4.715,1068 13.399,1069 17.085,1070 0.082,1071 27.356,1072 13.184,1073 2.335,1074 8.062,1075 23.721,1076 3.357,1077 14.586,1078 18.644,1079 0.066,1080 29.835,1081 14.361,1082 1.699,1083 7.406,1084 25.619,1085 3.164,1086 15.744,1087 20.174,1088 0.054,1089 32.294,1090 15.509,1091 1.617,1092 4.994,1093 27.524,1094 2.749,1095 16.927,1096 21.727,1097 0.043,1098 34.771,1099 16.683,1100 1.247,1101 4.271,1102 29.434,1103 2.106,1104 18.102,1105 23.269,1106 0.035,1107 37.242,1108 17.847,1109 5406,1110 7399,1111 17.107,1112 34.37,1113 38.41,1114 38.867,1115 40.98,1116 38.379,1117 38.313,1118 46.457,1119 1.6,1120 111.746,1121 37.152,1122 5.686,1123 5.487,1124 6.802,1125 5.321,1126 5.319,1127 7.715,1128 1.2,1129 19.473,1130 5.272,1131 12.553,1132 1.477,1133 1.495,1134 1.576,1135 1.476,1136 1.474,1137 1.787,1138 0.062,1139 4.298,1140 1.429,1141 4.174,1142 4.204,1143 4.139,1144 4.098,1145 8.201,1146 4.104,1147 3.824,1148 3.891,1149 3.712,1150 3.675,1151 4.887,1152 3.675,1153 3.646,1154 3.711,1155 3.504,1156 3.517,1157 4.385,1158 3.504,1159 3.52,1160 3.598,1161 3.346,1162 3.368,1163 4.218,1164 3.352,1165 3.501,1166 3.586,1167 3.279,1168 3.348,1169 4.08,1170 3.32,1171 3.288,1172 3.353,1173 3.155,1174 3.145,1175 4.04,1176 3.136,1177 3.055,1178 3.151,1179 2.873,1180 2.876,1181 3.838,1182 2.855,1183 3.023,1184 3.11,1185 2.836,1186 2.82,1187 3.584,1188 2.818,1189 0.182,1190 0.134,1191 0.269,1192 0.166,1193 0.128,1194 4.74,1195 0.181,1196 3.487,1197 0.031,1198 7.001,1199 0.46,1200 4.305,1201 0.126,1202 3.319,1203 4.715,1204 0.8,1205 11.957,1206 3.272,1207 2.031,1208 2.009,1209 2.135,1210 2.118,1211 1.483,1212 2.125,1213 1.745,1214 1.683,1215 1.972,1216 1.928,1217 1.256,1218 1.942,1219 1.687,1220 1.628,1221 1.929,1222 1.861,1223 1.192,1224 1.884,1225 1.539,1226 1.465,1227 1.861,1228 1.738,1229 1.09,1230 1.785,1231 1.527,1232 1.459,1233 1.72,1234 1.724,1235 0.957,1236 1.735,1237 1.349,1238 1.276,1239 1.599,1240 1.545,1241 0.774,1242 1.571,1243 1.175,1244 1.099,1245 1.484,1246 1.395,1247 0.675,1248 1.432,1249 0.986,1250 0.885,1251 1.368,1252 1.247,1253 0.553,1254 1.292,1255 3.97,1257 5.283,1258 2.398,1259 6.815,1260 4.727,1261 8.461,1262 6.862,1263 10.172,1265 6.717,1267 14.483,1271 10.106,1275 0.607,1276 2.657,1280 31.328,1281 70.156,1282 157.104,1283 231.181,1284 253.445,1285 265.71,1286 265.71,1287 43.401,1288 7.292,1289 19.03,1290 19.03,1291 17,1292 12.609,1293 3.459,1294 2.585,1295 38.948,1296 74,1297 78,1298 0.265,1299 193.107,1300 330.49,1301 462.94,1302 12506,1303 1.8,1304 17.104,1305 0.713,1306 0.643,1307 16.234,1308 15.421,1309 11.689,1310 0.45,1311 0.374,1312 9.66,1313 11.412,1314 9.349,1315 7.851,1316 11.279,1317 9.733,1318 9.915,1319 0.275,1320 0.201,1321 9.375,1322 7.243,1323 8.543,1324 0.168,1325 0.107,1326 8.133,1327 5.435,1328 7.684,1329 0.107,1330 0.061,1331 7.287,1332 4.416,1333 6.364,1334 0.068,1335 0.035,1336 5.994,1337 3.313,1338 0.399,1339 72.031,1340 0.242,1341 22.809,1342 0.779,1343 124,1344 296.089,1345 131.966,1346 267.072,1347 371.52,1348 252,1349 149,1350 278.77,1351 157.585,1352 278.74,1353 416.57,1354 265,1355 8.076} {0 CHEMBL71676,1 1.321,2 7.737,3 3.988,4 15.907,5 80.397,6 6.01,7 0.3,8 3.827,9 3.982,10 3.194,11 3.334,12 4.76,13 3.263,14 4.425,15 4.653,16 3.525,17 3.739,18 5.252,19 3.633,20 4.735,21 5.001,22 3.67,23 3.919,24 5.619,25 3.79,26 4.83,27 5.102,28 3.573,29 3.975,30 5.617,31 3.813,32 4.911,33 5.21,34 3.422,35 3.983,36 5.608,37 3.767,38 4.9,39 5.237,40 3.184,41 3.855,42 5.552,43 3.599,44 4.647,45 4.991,46 2.966,47 3.599,48 5.288,49 3.341,50 4.283,51 4.604,52 2.759,53 3.267,54 5.063,55 3.047,56 0.052,57 0.682,58 10.954,59 4.427,60 6.863,61 6.377,62 0.124,63 1.088,64 19.536,65 7.273,66 13.095,67 10.741,68 0.285,69 1.387,70 26.592,71 9.144,72 39.205,73 13.755,74 0.266,75 1.451,76 29.012,77 10.16,78 28.585,79 15.082,80 0.236,81 1.428,82 30.44,83 11.359,84 28.78,85 16.669,86 0.289,87 1.274,88 29.552,89 10.925,90 37.235,91 15.912,92 0.248,93 0.951,94 22.634,95 8.223,96 25.98,97 12.39,98 0.126,99 0.732,100 16.034,101 5.621,102 16.997,103 8.408,104 26,105 27,106 0.237,107 0.526,108 0.745,109 0.792,110 0.792,111 0.792,112 3.01,113 1.12,114 -5.17,115 -5.06,116 -4.74,119 36.4,120 2,121 5,125 2,127 1,140 2,141 2,142 2,161 1,162 1,163 1,169 8,172 4,176 1,178 7,180 1,182 4,186 3,189 5,191 3,193 2,197 3,199 7,201 3,203 1,211 11,217 1,218 1,222 9,233 6,242 2,244 2,246 2,254 2,258 2,259 383,260 12.861,261 12.861,262 12.861,263 12.861,264 12.861,265 12.004,266 14.842,267 7.743,268 13.036,269 9.764,270 9.764,271 9.764,272 9.764,273 9.764,274 8.511,275 16.718,276 3.463,277 10.103,278 4.139,279 2.523,280 1.296,281 1.034,282 1.034,283 1.034,284 3.666,287 1,288 1,289 1,290 298,291 3.082,295 93.624,299 80.143,302 1.357,303 16.732,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 40.5,315 147,316 4.459,317 3.382,318 6.616,319 4.11,320 3.129,321 4.143,322 0.8,323 10.46,324 3.071,325 3.842,326 3.077,327 6.133,328 3.718,329 2.777,330 2.996,332 8.996,333 2.609,334 3.502,335 2.68,336 5.521,337 3.18,338 2.229,339 2.679,341 6.861,342 2.105,343 3.079,344 2.04,345 4.658,346 2.722,347 1.737,348 2.281,350 4.753,351 1.707,352 2.647,353 1.712,354 4.376,355 2.577,356 1.602,357 1.65,359 4.199,360 1.556,361 2.247,362 1.298,363 3.576,364 2.237,365 1.247,366 1.247,368 2.282,369 1.233,370 2.053,371 1.24,372 3.247,373 1.94,374 0.955,375 1.023,377 2.117,378 0.939,379 1.67,380 0.807,381 2.891,382 1.615,383 0.636,384 0.649,386 1.009,387 0.621,388 1.436,389 0.697,390 2.753,391 1.142,392 0.237,393 0.273,395 0.521,396 0.21,397 0.855,398 -0.163,399 2.47,400 0.63,401 -0.347,402 -0.385,404 -0.632,405 -0.338,406 0.555,407 -0.287,408 2.24,409 0.521,410 -0.445,411 -0.445,413 -0.826,414 -0.428,415 0.407,416 -0.384,417 1.87,418 0.258,419 -0.709,420 -0.785,422 -1.648,423 -0.677,424 0.034,425 -0.804,426 1.555,427 -0.086,428 -1.073,429 -1.102,431 -2.326,432 -1.046,433 -0.054,434 -1.012,435 1.501,436 -0.291,437 -1.214,438 -1.387,440 -3.09,441 -1.103,442 -0.171,443 -1.3,444 1.433,445 -0.471,446 -1.413,447 -1.794,449 -4.199,450 -1.359,451 9.086,452 0.478,453 0.418,454 0.022,455 17.75,456 0.934,457 6.5,458 0.342,459 11.25,460 0.592,461 19.833,462 1.044,463 22.714,464 0.516,465 10.225,466 0.538,467 2.994,468 0.158,469 6.174,470 0.325,471 0.186,473 0.319,477 1,479 0.694,480 1.229,481 1.016,482 1.243,483 0.655,484 1.183,485 0.72,486 1.114,487 0.951,488 1.112,489 0.499,490 1.067,491 0.835,492 1.011,493 0.938,494 1.001,495 0.617,496 0.982,497 1.047,498 1.057,499 1.14,500 1.101,501 0.921,502 1.122,503 0.705,504 0.979,505 1.03,506 1.121,507 0.722,508 1.123,509 0.724,510 0.802,511 0.886,512 0.915,513 0.777,514 0.927,515 0.376,516 0.665,517 0.754,518 0.847,519 0.442,520 0.855,521 0.659,522 0.976,523 0.891,524 1.027,525 0.781,526 0.996,527 3.5,529 2.667,530 1.313,531 1.218,532 0.521,533 0.364,534 0.267,535 0.164,536 0.071,537 2810,538 5729,539 1.965,540 56.8,541 8,542 7,545 2,547 8,550 1.606,551 1.81,552 2.975,553 0.29,555 1,559 58.119,560 1.321,561 2.937,562 4.164,563 4.425,564 4.425,565 4.425,566 2.55,567 3.682,568 4.216,569 3.094,570 529.141,571 7.197,572 5138.87,574 1,576 1,577 240.215,578 1.509,579 4.159,580 0.175,582 0.099,583 0.044,584 0.047,585 0.025,586 0.023,587 0.021,588 0.016,589 0.012,590 0.461,591 0.67,592 1,593 1.604,594 81.651,595 -0.025,596 -0.039,597 0.026,598 0.009,599 -0.041,600 0.023,601 -0.003,602 -0.078,603 0.048,604 -0.009,605 0.055,606 0.021,607 0.072,608 -0.002,609 0.063,610 0.016,611 0.153,612 0.033,613 -0.102,614 -0.041,615 -0.145,616 -0.09,617 -0.053,618 -0.116,619 -0.024,620 -0.097,621 -0.102,622 -0.129,623 -0.034,624 -0.127,625 0.02,626 0.024,627 0.021,628 0.017,629 -0.023,630 0.017,631 0.148,632 0.06,633 0.121,634 0.065,635 0.05,636 0.083,637 0.041,638 -0.158,639 0.029,640 -0.097,641 -0.014,642 -0.047,643 1.934,644 5.468,645 0.526,646 13.762,647 0.985,648 1.144,649 3.936,650 15.494,651 0.616,652 3.045,653 3.332,654 3.611,655 3.829,656 4.043,657 4.078,658 4.174,659 4.205,660 4.143,661 3.714,662 4.762,663 0.562,664 264.43,665 3.045,666 4.554,667 5.398,668 6.267,669 7.136,670 8.015,671 8.892,672 9.774,673 10.656,674 11.54,675 4.5,678 1,679 1,688 2,693 4,695 6,705 1,713 1,714 44,716 6,717 1,718 20,720 45,721 16,722 6,723 4,724 2,730 2,731 3,736 2,740 4,743 6,745 6,746 10,761 1,762 1,764 25,765 3,766 2,767 3,773 2,777 0.5,793 2,797 1,815 1,819 1,823 2,825 1,827 19,828 1,833 7,837 1,838 1,846 1,854 10.5,855 8.176,856 4.444,857 3.184,858 1.232,859 1.196,860 0.943,861 4.949,862 7.522,863 3.178,864 3.676,865 4.171,866 4.619,867 5.08,868 5.189,869 5.325,870 5.503,871 5.648,872 5.393,873 1,874 30,875 7.098,877 2.929,878 7.632,879 14.069,881 11.658,883 2.132,884 40.5,885 0.002,888 270.735,889 71.736,890 36.022,893 14.96,895 71.736,896 270.735,897 50.982,898 17.65,899 16.884,900 51.85,902 21.373,903 14.96,904 270.735,906 270.735,907 107.757,908 14.96,911 191.527,912 94.169,915 37.659,916 70.099,919 285.695,920 36.022,921 71.736,924 270.735,925 35.133,926 39.727,928 47.857,929 270.735,930 50.982,931 71.736,933 0.562,934 0.343,935 0.189,936 0.105,937 12,938 6,939 0.111,940 5,941 1,942 1.2,943 3.03,944 134.576,945 0.2,946 10,947 74.711,951 14.486,952 6.492,953 3.155,955 50.982,956 3.434,961 2.39,963 32.897,964 393.453,965 23,975 43.32,976 50.319,977 0.242,978 0.538,979 0.763,980 0.811,981 0.811,982 0.811,983 4.413,984 0.636,985 5.38,986 2.117,987 4.007,988 4.357,989 0.673,990 6.201,991 3.941,992 5.573,993 0.237,994 6.952,995 1.009,996 3.611,997 4.205,998 0.325,999 7.149,1000 3.477,1001 6.868,1002 -0.347,1003 8.629,1004 0.521,1005 5.602,1006 6.449,1007 0.379,1008 10.249,1009 5.47,1010 8.201,1011 -0.445,1012 10.367,1013 -0.632,1014 6.043,1015 7.144,1016 0.268,1017 11.997,1018 5.85,1019 9.572,1020 -0.709,1021 12.141,1022 -0.826,1023 7.503,1024 8.908,1025 0.239,1026 14.613,1027 7.313,1028 10.966,1029 -1.073,1030 13.939,1031 -1.648,1032 8.319,1033 9.979,1034 0.188,1035 16.683,1036 8.086,1037 12.38,1038 -1.214,1039 15.753,1040 -2.326,1041 9.571,1042 11.56,1043 0.156,1044 19.127,1045 9.334,1046 3.129,1047 -1.413,1048 17.579,1049 -3.09,1050 10.557,1051 12.808,1052 0.125,1053 21.337,1054 10.289,1055 2.777,1056 10.46,1057 19.415,1058 -4.199,1059 11.727,1060 14.309,1061 0.102,1062 23.714,1063 11.451,1064 2.229,1065 8.996,1066 21.257,1067 4.143,1068 12.788,1069 15.643,1070 0.082,1071 25.989,1072 12.49,1073 1.737,1074 6.861,1075 23.105,1076 2.996,1077 13.928,1078 17.105,1079 0.066,1080 28.34,1081 13.619,1082 1.602,1083 4.753,1084 24.958,1085 2.679,1086 15.024,1087 18.482,1088 0.054,1089 30.646,1090 14.697,1091 1.247,1092 4.199,1093 26.815,1094 2.281,1095 16.154,1096 19.924,1097 0.043,1098 32.988,1099 15.814,1100 0.955,1101 2.282,1102 28.675,1103 1.65,1104 17.267,1105 21.323,1106 0.035,1107 35.311,1108 16.912,1109 2956,1110 4353,1111 12.83,1112 27.086,1113 29.169,1114 29.843,1115 30.941,1116 29.11,1117 29.098,1118 33.883,1119 1.6,1120 82.399,1121 28.102,1122 5.405,1123 5.382,1124 6.418,1125 5.11,1126 5.129,1127 7.143,1128 1.2,1129 17.63,1130 5.071,1131 10.601,1132 1.458,1133 1.492,1134 1.547,1135 1.455,1136 1.455,1137 1.694,1138 0.08,1139 4.12,1140 1.405,1141 4.031,1142 4.068,1143 3.972,1144 3.955,1145 8.201,1146 3.954,1147 3.751,1148 3.818,1149 3.635,1150 3.59,1151 5.059,1152 3.59,1153 3.501,1154 3.586,1155 3.328,1156 3.348,1157 4.493,1158 3.331,1159 3.482,1160 3.549,1161 3.279,1162 3.346,1163 4.271,1164 3.32,1165 3.176,1166 3.26,1167 3.015,1168 3.019,1169 4.04,1170 3.007,1171 3.036,1172 3.145,1173 2.842,1174 2.798,1175 3.953,1176 2.793,1177 2.867,1178 2.983,1179 2.663,1180 2.632,1181 3.643,1182 2.623,1183 2.714,1184 2.832,1185 2.507,1186 2.519,1187 3.383,1188 2.503,1189 0.223,1190 0.169,1191 0.331,1192 0.205,1193 0.156,1194 4.459,1195 0.207,1196 3.382,1197 0.04,1198 6.616,1199 0.523,1200 4.11,1201 0.154,1202 3.129,1203 4.143,1204 0.8,1205 10.46,1206 3.071,1207 1.999,1208 1.97,1209 2.123,1210 2.104,1211 1.461,1212 2.112,1213 1.727,1214 1.661,1215 1.958,1216 1.915,1217 1.22,1218 1.931,1219 1.539,1220 1.459,1221 1.861,1222 1.738,1223 1.09,1224 1.785,1225 1.487,1226 1.426,1227 1.712,1228 1.665,1229 0.9,1230 1.686,1231 1.183,1232 1.109,1233 1.491,1234 1.404,1235 0.761,1236 1.438,1237 1.022,1238 0.921,1239 1.385,1240 1.321,1241 0.549,1242 1.347,1243 0.849,1244 0.746,1245 1.24,1246 1.171,1247 0.403,1248 1.203,1249 0.758,1250 0.631,1251 1.213,1252 1.062,1253 0.266,1254 1.131,1255 3.714,1257 5.004,1259 6.518,1261 8.14,1263 9.818,1265 4.458,1267 13.468,1269 5.854,1271 7.715,1275 0.595,1276 2.586,1280 24.748,1281 58.119,1282 129.221,1283 183.195,1284 194.705,1285 194.705,1286 194.705,1287 37.258,1288 6.29,1289 29.26,1290 29.26,1291 12,1292 12.074,1293 2.807,1294 2,1295 33.557,1296 55,1297 50,1298 0.322,1299 155.466,1300 269.89,1301 371.096,1302 3445,1303 2.3,1304 13.828,1305 0.728,1306 0.636,1307 12.958,1308 12.084,1309 9.168,1310 0.458,1311 0.373,1312 7.402,1313 8.922,1314 7.172,1315 6.019,1316 8.758,1317 7.467,1318 7.748,1319 0.287,1320 0.205,1321 7.243,1322 5.531,1323 6.633,1324 0.184,1325 0.115,1326 6.033,1327 4.122,1328 5.295,1329 0.118,1330 0.071,1331 5.106,1332 3.198,1333 4.241,1334 0.076,1335 0.042,1336 3.981,1337 2.355,1338 0.487,1339 56.739,1340 0.279,1341 18.756,1342 0.933,1343 94,1344 247.068,1345 101.272,1346 218.47,1347 293.92,1348 204,1349 110,1350 212.643,1351 117.586,1352 211.439,1353 310.6,1354 200,1355 6.118} {0 CHEMBL71724,1 1.371,2 12.346,3 3.552,4 12.613,5 106.501,6 6.528,7 0.414,8 4.071,9 4.196,10 3.546,11 3.59,12 4.997,13 3.549,14 4.67,15 4.863,16 3.866,17 3.991,18 5.517,19 3.927,20 4.928,21 5.156,22 3.919,23 4.182,24 5.699,25 4.07,26 5.002,27 5.244,28 3.771,29 4.205,30 5.718,31 4.035,32 5.058,33 5.356,34 3.631,35 4.118,36 5.68,37 3.912,38 4.908,39 5.215,40 3.529,41 3.904,42 5.526,43 3.73,44 4.651,45 4.904,46 3.493,47 3.793,48 5.376,49 3.668,50 4.633,51 4.875,52 3.374,53 3.837,54 5.336,55 3.658,56 0.047,57 0.757,58 12.976,59 5.336,60 8.225,61 7.4,62 0.257,63 1.266,64 24.743,65 8.48,66 20.589,67 12.15,68 0.331,69 1.575,70 31.917,71 11.586,72 25.98,73 16.575,74 0.289,75 1.637,76 33.905,77 13.386,78 26.319,79 19.107,80 0.296,81 1.64,82 36.087,83 13.609,84 27.543,85 20.095,86 0.31,87 1.385,88 31.63,89 10.619,90 24.658,91 15.961,92 0.352,93 1.127,94 24.61,95 8.156,96 20.851,97 11.886,98 0.214,99 1.128,100 23.366,101 9.295,102 17.253,103 13.274,104 3,105 39,106 0.229,107 0.504,108 0.715,109 0.818,110 0.83,111 0.837,112 3.303,113 0.997,114 -4.13,115 -4.08,116 -3.86,119 40.7,121 2,124 1,125 6,127 1,140 8,141 2,142 2,169 9,172 8,178 11,181 1,182 6,189 9,192 1,193 3,199 4,202 1,203 6,211 1,215 5,225 1,226 2,233 2,236 1,237 2,244 2,249 5,256 2,259 992,260 18.231,261 18.231,262 18.231,263 18.231,264 18.231,265 16.805,266 25.858,267 10.879,268 18.769,269 14.263,270 14.263,271 14.263,272 14.263,273 14.263,274 12.101,275 34.666,276 5.075,277 15.023,278 4.384,279 2.742,280 1.481,281 0.866,282 0.792,283 0.755,284 4.01,287 1,288 1,289 1,290 709,291 2.55,295 313.521,299 121.673,302 2.089,303 12.973,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 55,315 321,316 4.307,317 3.392,318 6.506,319 4.012,320 3.032,321 3.87,322 1.151,323 10.196,324 2.972,325 4.142,326 3.151,327 6.149,328 3.832,329 2.889,330 3.691,331 0.86,332 9.079,333 2.726,334 3.703,335 2.827,336 5.369,337 3.446,338 2.51,339 2.942,340 0.8,341 7.016,342 2.344,343 3.459,344 2.683,345 5.281,346 3.248,347 2.32,348 2.533,349 0.8,350 6.713,351 2.15,352 3.249,353 2.445,354 5.166,355 3.03,356 2.076,357 2.367,359 6.172,360 1.971,361 2.944,362 1.959,363 4.345,364 2.592,365 1.618,366 2.103,368 4.129,369 1.573,370 2.701,371 1.739,372 4.164,373 2.446,374 1.5,375 1.732,377 3.794,378 1.413,379 2.578,380 1.445,381 3.6,382 2.234,383 1.275,384 1.595,386 2.851,387 1.213,388 2.5,389 1.15,390 3.414,391 2,392 1.021,393 1.5,395 2.347,396 1,397 2.205,398 1.146,399 3.414,400 1.986,401 1,402 1.173,404 2.275,405 0.979,406 2,407 1.036,408 3.409,409 1.967,410 1,411 1,413 2.275,414 0.965,415 1.706,416 1,417 3.094,418 1.544,419 0.598,420 0.648,422 1.341,423 0.56,424 1.588,425 0.74,426 2.796,427 1.354,428 0.471,429 0.515,431 0.761,432 0.414,433 0.957,434 0.106,435 2.473,436 0.778,437 -0.171,438 -0.183,440 -0.387,441 -0.161,442 0.782,443 -0.101,444 2.312,445 0.493,446 -0.451,447 -0.51,449 -0.989,450 -0.421,451 12.467,452 0.479,453 0.427,454 0.016,455 30,456 1.154,457 13,458 0.5,459 17,460 0.654,461 23.065,462 0.887,463 28.933,464 0.536,465 19.497,466 0.75,467 5.954,468 0.229,469 6.877,470 0.264,471 0.04,473 0.265,479 0.893,480 1.454,481 0.895,482 1.237,483 0.835,484 1.09,485 1.599,486 1.062,487 1.093,488 0.938,489 1.232,490 0.945,491 1.236,492 0.958,493 1.103,494 0.981,495 1.02,496 1.012,497 0.804,498 1.201,499 1.157,500 1.245,501 0.951,502 1.245,503 0.529,504 1.053,505 0.9,506 1.045,507 0.701,508 1.02,509 0.997,510 0.897,511 0.854,512 0.82,513 0.89,514 0.816,515 1.525,516 0.849,517 1.131,518 0.843,519 1.349,520 0.922,521 0.76,522 1.229,523 1.186,524 1.273,525 0.999,526 1.283,527 4,528 0.074,529 2.889,530 0.938,531 0.92,532 0.694,533 0.384,534 0.13,535 0.184,536 0.154,537 9399,538 19607,539 2.172,540 51.9,542 24,547 2,548 2,550 1.683,551 2.108,552 3.56,553 -0.836,555 1,559 74.05,560 1.371,561 3.013,562 4.274,563 4.889,564 4.963,565 5,566 3.104,567 4.239,568 4.672,569 3.743,570 1216.56,571 8.054,572 15825.5,574 1,576 1,577 310.764,578 1.058,579 4.663,580 0.138,581 0.004,582 0.074,583 0.023,584 0.029,585 0.026,586 0.015,587 0.005,588 0.009,589 0.009,590 0.333,591 0.5,592 1,593 0.542,594 129.976,595 0.043,596 -0.238,597 0.093,598 -0.107,599 0.075,600 -0.019,601 -0.194,602 0.077,603 -0.053,604 0.062,605 -0.085,606 0.03,607 -0.123,608 0.113,609 -0.1,610 0.014,611 -0.043,612 -0.03,613 -0.01,614 -0.199,615 -0.201,616 -0.224,617 -0.092,618 -0.235,619 0.11,620 -0.128,621 0.043,622 -0.078,623 0.046,624 -0.035,625 -0.011,626 0.029,627 0.133,628 0.094,629 0.02,630 0.125,631 -0.145,632 0.172,633 -0.101,634 0.098,635 -0.201,636 0.018,637 0.007,638 -0.231,639 -0.234,640 -0.249,641 -0.155,642 -0.27,643 1.07,644 2.559,645 0.846,646 24.935,647 0.988,648 1.126,649 2.902,650 8.421,651 0.645,652 3.401,653 3.689,654 3.97,655 4.19,656 4.431,657 4.431,658 4.522,659 4.554,660 4.691,661 4.736,662 7.14,663 0.599,664 352.52,665 3.401,666 4.92,667 5.765,668 6.621,669 7.478,670 8.339,671 9.199,672 10.061,673 10.922,674 11.785,675 3.7,678 1,681 1,688 8,693 4,695 12,709 1,712 1,714 54,716 12,717 2,718 29,720 57,721 22,722 12,723 4,724 8,730 4,731 5,740 2,743 3,745 12,746 10,760 1,761 1,764 28,765 4,767 4,773 2,777 0.75,778 2,793 4,797 1,815 1,818 1,819 3,823 1,827 26,833 8,835 2,837 1,838 2,847 3.7,851 1,852 1,854 12.333,855 9.733,856 5.833,857 3.39,858 2.091,859 1.277,860 0.982,861 5.659,862 9.633,863 3.584,864 4.078,865 4.585,866 5.045,867 5.517,868 5.503,869 5.675,870 5.73,871 5.92,872 5.965,873 1,874 40,875 9.65,877 4.012,878 7.385,879 19.344,881 16.189,883 1.885,884 49,886 1,887 1,888 329.591,889 121.254,890 6.249,892 22,895 121.254,896 351.591,897 6.249,898 10.883,899 20.19,900 75.81,901 11,902 31.62,904 329.591,906 329.591,907 127.503,908 22,911 282.506,912 58.084,913 11,915 23.314,916 104.189,919 329.591,920 28.248,921 121.254,924 329.591,925 34.561,926 92.942,928 22,929 329.591,930 28.248,931 121.254,933 0.57,934 0.341,935 0.182,936 0.099,937 19,938 7,939 0.088,940 5,941 1,942 1.091,943 3.999,944 212.742,945 0.091,946 22,947 114.211,951 17.687,952 8.319,953 4.181,955 28.248,956 17.148,961 5.068,964 479.094,965 35,975 53.345,976 60.813,977 0.238,978 0.524,979 0.743,980 0.85,981 0.862,982 0.869,983 4.812,984 1.275,985 5.714,986 3.794,987 4.369,988 4.762,989 1.953,990 6.479,991 4.275,992 5.947,993 1.021,994 7.239,995 2.851,996 3.761,997 4.29,998 0.57,999 7.298,1000 3.604,1001 7.21,1002 1,1003 8.865,1004 2.347,1005 5.916,1006 6.785,1007 1.875,1008 10.367,1009 5.736,1010 8.505,1011 1,1012 10.552,1013 2.275,1014 6.176,1015 7.171,1016 0.479,1017 12.049,1018 5.94,1019 9.836,1020 0.598,1021 12.281,1022 2.275,1023 7.732,1024 9.113,1025 1.945,1026 14.608,1027 7.479,1028 11.191,1029 0.471,1030 14.037,1031 1.341,1032 8.408,1033 9.912,1034 0.346,1035 16.642,1036 8.112,1037 12.564,1038 -0.171,1039 15.813,1040 0.761,1041 9.701,1042 11.598,1043 2.091,1044 19.032,1045 9.387,1046 3.032,1047 -0.451,1048 17.605,1049 -0.387,1050 10.585,1051 12.617,1052 0.237,1053 21.216,1054 10.238,1055 2.889,1056 10.196,1057 19.409,1058 -0.989,1059 11.76,1060 14.164,1061 2.283,1062 23.548,1063 11.394,1064 2.51,1065 9.079,1066 21.222,1067 3.87,1068 12.748,1069 15.31,1070 0.158,1071 25.798,1072 12.355,1073 2.32,1074 7.016,1075 23.042,1076 3.691,1077 13.872,1078 16.775,1079 2.506,1080 28.111,1081 13.459,1082 2.076,1083 6.713,1084 24.869,1085 2.942,1086 14.912,1087 17.996,1088 0.104,1089 30.392,1090 14.476,1091 1.618,1092 6.172,1093 26.701,1094 2.533,1095 16.015,1096 19.413,1097 2.749,1098 32.7,1099 15.56,1100 1.5,1101 4.129,1102 28.538,1103 2.367,1104 17.081,1105 20.68,1106 0.068,1107 34.995,1108 16.605,1109 8761,1110 12727,1111 20.167,1112 34.819,1113 42.785,1114 42.969,1115 43.483,1116 42.64,1117 42.623,1118 51.333,1119 7.222,1120 117.899,1121 40.564,1122 5.307,1123 5.392,1124 6.195,1125 5.097,1126 5.032,1127 6.87,1128 2.302,1129 16.977,1130 4.972,1131 7.102,1132 1.475,1133 1.482,1134 1.499,1135 1.47,1136 1.47,1137 1.77,1138 0.249,1139 4.065,1140 1.399,1141 4.016,1142 4.051,1143 3.944,1144 3.933,1145 4.875,1146 3.931,1147 3.941,1148 3.976,1149 3.878,1150 3.845,1151 4.799,1152 3.849,1153 3.75,1154 3.805,1155 3.641,1156 3.582,1157 4.457,1158 3.587,1159 3.492,1160 3.545,1161 3.362,1162 3.332,1163 4.428,1164 3.33,1165 3.36,1166 3.429,1167 3.196,1168 3.201,1169 4.238,1170 3.186,1171 3.235,1172 3.304,1173 3.054,1174 2.968,1175 3.836,1176 2.98,1177 3.111,1178 3.206,1179 2.866,1180 2.941,1181 3.696,1182 2.91,1183 2.994,1184 3.074,1185 2.831,1186 2.806,1187 3.674,1188 2.799,1189 0.149,1190 0.117,1191 0.224,1192 0.138,1193 0.105,1194 4.307,1195 0.133,1196 3.392,1197 0.04,1198 6.506,1199 0.352,1200 4.012,1201 0.102,1202 3.032,1203 3.87,1204 1.151,1205 10.196,1206 2.972,1207 1.975,1208 1.951,1209 2.099,1210 2.087,1211 1.378,1212 2.092,1213 1.91,1214 1.878,1215 2.038,1216 2.045,1217 1.29,1218 2.048,1219 1.721,1220 1.659,1221 1.91,1222 1.899,1223 1.081,1224 1.905,1225 1.477,1226 1.423,1227 1.722,1228 1.669,1229 0.991,1230 1.688,1231 1.367,1232 1.3,1233 1.652,1234 1.572,1235 0.838,1236 1.601,1237 1.189,1238 1.114,1239 1.564,1240 1.493,1241 0.825,1242 1.518,1243 1.153,1244 1.064,1245 1.513,1246 1.376,1247 0.576,1248 1.429,1249 0.975,1250 0.904,1251 1.25,1252 1.215,1253 0.488,1254 1.23,1255 4.078,1257 5.371,1259 6.878,1261 8.476,1263 10.117,1265 1.711,1271 8.471,1273 11.308,1275 0.263,1276 5.031,1280 32.321,1281 74.05,1282 162.716,1283 230.79,1284 264.009,1285 268.009,1286 270.009,1287 31.755,1288 7.542,1289 24.94,1290 24.94,1291 24,1292 12.334,1293 3.7,1294 2.807,1295 38.399,1296 113,1297 116,1298 0.165,1299 196.245,1300 341.66,1301 470.598,1302 21439,1304 17.769,1305 0.683,1306 0.599,1307 17.769,1308 15.564,1309 12.831,1310 0.442,1311 0.332,1312 9.503,1313 12.334,1314 9.284,1315 7.624,1316 12.831,1317 9.641,1318 10.947,1319 0.281,1320 0.183,1321 10.947,1322 7.124,1323 9.696,1324 0.186,1325 0.108,1326 9.696,1327 5.61,1328 7.896,1329 0.121,1330 0.062,1331 7.896,1332 4.038,1333 6.543,1334 0.079,1335 0.035,1336 6.543,1337 2.918,1338 0.267,1339 80.196,1340 0.223,1341 25.67,1342 0.43,1343 136,1344 330.761,1345 146.918,1346 313.192,1347 437.12,1348 300,1349 159,1350 319.02,1351 170.697,1352 323.106,1353 473.14,1354 305,1355 8.174} {0 CHEMBL71751,1 1.699,2 7.133,3 1.241,4 1.54,5 56.394,6 7.894,7 0.375,8 3.381,9 3.503,10 2.99,11 2.876,12 4.583,13 2.874,14 3.886,15 4.054,16 3.286,17 3.238,18 5.22,19 3.211,20 4.059,21 4.29,22 3.127,23 3.247,24 5.162,25 3.174,26 3.969,27 4.193,28 2.978,29 3.071,30 5.162,31 2.997,32 3.821,33 4.085,34 2.79,35 2.863,36 4.901,37 2.796,38 3.486,39 3.7,40 2.561,41 2.697,42 4.494,43 2.619,44 3.54,45 3.804,46 2.302,47 2.466,48 4.625,49 2.347,50 3.065,51 3.328,52 2.307,53 1.842,54 4.612,55 1.871,56 0.129,57 0.405,58 4.874,59 2.097,60 5.571,61 2.811,62 0.235,63 0.614,64 9.206,65 3.515,66 40.826,67 4.814,68 0.234,69 0.644,70 12.448,71 3.964,72 20.621,73 5.79,74 0.246,75 0.533,76 11.927,77 3.881,78 34.793,79 5.438,80 0.264,81 0.448,82 11.201,83 3.016,84 38.849,85 4.544,86 0.119,87 0.368,88 6.615,89 2.165,90 12.041,91 3.156,92 0.226,93 0.299,94 8.603,95 2.564,96 32.581,97 3.629,98 0.244,99 0.175,100 5.43,101 1.019,102 24.692,103 1.836,104 6,105 21,106 0.337,107 0.676,108 0.779,109 0.81,110 0.81,111 0.81,112 2.793,113 0.893,114 -3.16,115 -3.15,116 -3.03,119 38.5,121 1,125 2,140 4,141 1,142 1,156 1,164 2,169 5,171 1,172 3,174 1,176 1,178 6,182 7,186 1,189 4,193 7,197 2,203 5,208 2,215 2,225 1,229 1,236 2,240 2,259 210,260 10.069,261 10.069,262 10.069,263 10.069,264 10.069,265 8.756,266 14.588,267 6.091,268 10.261,269 7.901,270 7.901,271 7.901,272 7.901,273 7.901,274 5.975,275 17.027,276 2.904,277 8.196,278 3.001,279 1.289,280 0.769,281 0.615,282 0.615,283 0.615,284 3.44,288 1,289 1,290 223,291 2.345,294 43.149,295 48.509,302 1.342,303 17.543,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 33.5,315 107,316 4.26,317 3.778,318 5.932,319 3.783,320 2.806,321 3.954,322 2.612,323 8.262,324 2.741,325 3.952,326 3.211,327 5.562,328 3.549,329 2.596,330 3.333,331 1.505,332 7.583,333 2.476,334 3.624,335 2.567,336 5.032,337 3.149,338 2.184,339 2.967,340 0.368,341 6.055,342 2.096,343 2.929,344 1.95,345 3.79,346 2.299,347 1.312,348 2.029,349 0.265,350 3,351 1.295,352 2.5,353 1.429,354 3.414,355 2.075,356 1.101,357 1.5,359 2.482,360 1.07,361 2.234,362 1.091,363 3.399,364 2,365 1,366 1.204,368 2.275,369 1,370 1.77,371 1,372 3,373 1.518,374 0.618,375 0.666,377 1.372,378 0.556,379 1.25,380 1,381 2.648,382 0.938,383 -0.045,384 -0.055,386 -0.114,387 -0.044,388 1,389 0.377,390 2,391 0.213,392 -0.768,393 -0.949,395 -1.894,396 -0.751,397 0.554,398 -0.394,399 1.88,401 -1,402 -1.5,404 -2,405 -1,406 0.5,407 -1,408 1.438,410 -1,411 -1.59,413 -3,414 -1,415 -0.295,416 -1.032,417 1,418 -0.509,419 -1.474,420 -1.861,421 -0.199,422 -3.405,423 -1.415,424 -0.373,425 -1.073,426 1,427 -0.718,428 -1.618,429 -2,430 -0.612,431 -4.372,432 -1.456,433 -0.5,434 -1.449,435 0.933,436 -0.789,437 -1.738,438 -2.26,439 -0.795,440 -5.275,441 -1.648,442 -0.513,443 -1.597,444 0.586,445 -1,446 -1.975,447 -2.438,448 -1.145,449 -5.305,450 -1.92,451 6.867,452 0.458,453 0.332,454 0.022,455 20.25,456 1.35,457 10.5,458 0.7,459 9.75,460 0.65,461 8.119,462 0.541,463 16.533,464 0.636,465 12.042,466 0.803,467 4.175,468 0.278,469 3.079,470 0.205,471 0.097,473 0.277,479 0.385,480 1.249,481 0.697,482 1.026,483 0.47,484 0.95,485 0.528,486 1.173,487 0.846,488 1.11,489 0.372,490 1.052,491 0.786,492 1,493 1.041,494 1.071,495 0.518,496 1.082,497 1.012,498 1.148,499 1.013,500 1.177,501 1.012,502 1.122,503 1.034,504 0.85,505 0.863,506 0.729,507 1.001,508 0.75,509 0.789,510 1.228,511 1.188,512 1.295,513 0.572,514 1.303,515 1.013,516 0.758,517 1.015,518 1.01,519 1.269,520 1.046,521 0.463,522 0.761,523 0.477,524 0.624,525 0.789,526 0.574,527 3,529 1.333,530 0.722,531 0.457,532 0.292,533 0.15,534 0.14,535 0.068,536 0.049,537 1719,538 5807,539 2.032,540 42.3,542 8,545 1,546 2,550 1.523,551 1.915,552 2.875,553 -0.134,557 1,559 44.184,560 1.699,561 3.412,562 3.931,563 4.085,564 4.085,565 4.085,566 2.289,567 2.873,568 3.878,569 3.004,570 315.399,571 6.465,572 2618.26,574 1,577 122.211,578 1.338,579 3.843,580 0.188,582 0.063,583 0.042,584 0.033,585 0.024,586 0.017,587 0.023,588 0.011,589 0.012,590 0.414,591 0.67,592 1,593 0.909,594 59.538,595 0.243,596 0.003,597 0.054,598 0.051,599 0.023,600 0.003,601 0.163,602 -0.044,603 -0.018,604 -0.075,605 0.231,606 -0.083,607 -0.107,608 0.016,609 -0.131,610 -0.098,611 0.029,612 -0.099,613 -0.098,614 -0.255,615 -0.046,616 -0.178,617 -0.034,618 -0.117,619 -0.118,620 0.009,621 0.168,622 0.212,623 -0.099,624 0.253,625 -0.135,626 -0.176,627 -0.309,628 -0.325,629 -0.073,630 -0.34,631 0.03,632 0.022,633 0.049,634 -0.063,635 -0.14,636 -0.034,637 0.906,638 0.057,639 0.692,640 0.146,641 0.529,642 0.311,643 2.394,644 3.426,645 0.733,646 9.867,647 1.019,648 1.137,649 1.929,650 3.72,651 0.653,652 2.833,653 3.091,654 3.258,655 3.401,656 3.434,657 3.434,658 3.434,659 3.367,660 3.219,661 3.045,662 4.475,663 0.639,664 205.24,665 2.833,666 4.317,667 5.118,668 5.948,669 6.765,670 7.597,671 8.419,672 9.252,673 10.076,674 10.91,675 11.5,677 1,684 1,686 1,688 4,693 2,695 6,708 1,714 26,716 9,717 1,718 16,720 27,721 10,722 6,723 2,724 4,730 2,731 2,743 1,745 7,746 3,750 3,752 1,755 2,758 1,759 1,761 1,764 11,765 4,766 1,767 5,773 3,774 1,777 1,778 2,792 1,793 1,814 1,819 2,827 15,833 3,834 1,847 7.7,853 2,854 7.833,855 4.567,856 3.361,857 1.51,858 1.626,859 1.288,860 0.953,861 2.857,862 7.265,863 3.135,864 3.676,865 4.082,866 4.515,867 4.911,868 5.085,869 5.285,870 5.356,871 5.29,872 5.183,873 0.8,874 17,875 5.501,876 -0.001,877 2.29,878 8.1,879 10.275,881 8.13,883 2.6,884 39,885 0.002,888 117.711,889 52.921,890 40.466,892 50.747,895 52.921,896 168.458,897 40.466,898 5.67,899 6.746,900 55.916,901 2.328,902 22.728,904 117.711,905 50.747,906 117.711,907 93.388,908 50.747,911 117.711,913 50.747,915 41.542,916 46.175,917 5.67,919 117.711,920 91.213,921 52.921,924 117.711,925 15.016,926 43.575,927 18.011,928 67.532,929 117.711,930 91.213,931 52.921,933 0.571,934 0.317,935 0.155,936 0.07,937 10,938 4,939 0.111,940 3,942 1,943 2.827,944 91.435,946 11,947 52.603,951 9.964,952 4.301,953 2.463,955 85.543,956 6.566,961 1.161,963 18.011,964 261.845,965 22,967 -0.394,970 20.853,973 4.26,974 0.962,975 26.494,976 29.575,977 0.362,978 0.726,979 0.836,980 0.869,981 0.869,982 0.869,983 4.324,984 -0.045,985 5.069,986 1.372,987 3.761,988 4.357,989 2.813,990 5.771,991 3.695,992 5.51,993 -0.768,994 6.564,995 -0.114,996 3.219,997 4.159,998 2.491,999 6.457,1000 3.121,1001 6.801,1002 -1,1003 8.155,1004 -1.894,1005 5.252,1006 6.482,1007 4.263,1008 9.447,1009 5.12,1010 8.126,1011 -1,1012 9.8,1013 -2,1014 5.525,1015 7.084,1016 4.565,1017 10.927,1018 5.351,1019 9.479,1020 -1.474,1021 11.479,1022 -3,1023 6.997,1024 8.877,1025 5.984,1026 13.377,1027 6.804,1028 10.849,1029 -1.618,1030 13.181,1031 -3.405,1032 7.637,1033 9.832,1034 6.577,1035 15.18,1036 7.4,1037 12.232,1038 -1.738,1039 14.897,1040 -4.372,1041 8.865,1042 11.41,1043 7.806,1044 17.424,1045 8.616,1046 2.806,1047 -1.975,1048 16.623,1049 -5.275,1050 9.684,1051 12.543,1052 8.555,1053 19.376,1054 9.395,1055 2.596,1056 8.262,1057 18.357,1058 -5.305,1059 10.8,1060 14.021,1061 9.674,1062 21.533,1063 10.497,1064 2.184,1065 7.583,1066 20.096,1067 3.954,1068 11.711,1069 15.252,1070 10.511,1071 23.558,1072 11.372,1073 1.312,1074 6.055,1075 21.839,1076 3.333,1077 12.773,1078 16.68,1079 11.565,1080 25.678,1081 12.419,1082 1.101,1083 3,1084 23.586,1085 2.967,1086 13.732,1087 17.968,1088 12.453,1089 27.738,1090 13.348,1091 1,1092 2.482,1093 25.336,1094 2.029,1095 14.77,1096 19.369,1097 13.468,1098 29.843,1099 14.368,1100 0.618,1101 2.275,1102 27.089,1103 1.5,1104 15.756,1105 20.691,1106 14.386,1107 31.922,1108 15.326,1109 1756,1110 3324,1111 10.633,1112 16.972,1113 23.287,1114 24.193,1115 23.556,1116 23.183,1117 23.234,1118 31.306,1119 9.502,1120 62.058,1121 22.469,1122 5.151,1123 5.778,1124 5.547,1125 4.789,1126 4.806,1127 6.954,1128 4.612,1129 13.926,1130 4.741,1131 6.365,1132 1.455,1133 1.512,1134 1.472,1135 1.449,1136 1.452,1137 1.957,1138 0.594,1139 3.879,1140 1.404,1141 4.006,1142 4.037,1143 3.961,1144 3.891,1145 7.815,1146 3.897,1147 3.782,1148 3.849,1149 3.706,1150 3.557,1151 6.999,1152 3.58,1153 3.492,1154 3.523,1155 3.442,1156 3.138,1157 4.78,1158 3.196,1159 3.021,1160 3.09,1161 2.85,1162 2.741,1163 4.619,1164 2.786,1165 2.854,1166 2.925,1167 2.687,1168 2.735,1169 3.674,1170 2.715,1171 2.551,1172 2.698,1173 2.342,1174 2.234,1175 3.655,1176 2.268,1177 2.466,1178 2.539,1179 2.291,1180 2.186,1181 3.502,1182 2.187,1183 2.122,1184 2.262,1185 1.791,1186 1.8,1187 3.181,1188 1.783,1189 0.266,1190 0.236,1191 0.371,1192 0.236,1193 0.175,1194 4.26,1195 0.247,1196 3.778,1197 0.163,1198 5.932,1199 0.516,1200 3.783,1201 0.171,1202 2.806,1203 3.954,1204 2.612,1205 8.262,1206 2.741,1207 1.937,1208 1.911,1209 2.04,1210 2.088,1211 1.182,1212 2.059,1213 1.469,1214 1.416,1215 1.73,1216 1.771,1217 1.004,1218 1.708,1219 1.44,1220 1.357,1221 1.613,1222 1.681,1223 0.763,1224 1.704,1225 1.11,1226 1.069,1227 1.21,1228 1.518,1229 0.237,1230 1.449,1231 0.886,1232 0.821,1233 1.181,1234 1.062,1235 0.218,1236 1.107,1237 0.677,1238 0.592,1239 1.011,1240 1.019,1242 1.04,1243 0.265,1244 0.173,1245 0.636,1246 0.56,1248 0.606,1251 0.573,1252 0.41,1254 0.483,1255 3.497,1257 4.762,1258 2.398,1259 6.205,1260 4.443,1261 7.724,1262 6.26,1263 9.283,1271 2.433,1272 3.159,1280 16.601,1281 44.184,1282 88.702,1283 102.211,1284 106.211,1285 106.211,1286 106.211,1287 21.383,1288 5.638,1289 70.21,1290 70.21,1291 11,1292 11.482,1293 3.322,1294 2.807,1295 23.799,1296 40,1297 31,1298 0.303,1299 105.645,1300 183.32,1301 249.535,1302 1561,1304 10.673,1305 0.712,1306 0.543,1307 10.673,1308 8.142,1309 7.254,1310 0.453,1311 0.298,1312 4.679,1313 6.865,1314 4.607,1315 3.808,1316 7.254,1317 4.761,1318 6.411,1319 0.305,1320 0.16,1321 6.411,1322 3.356,1323 4.976,1324 0.199,1325 0.09,1326 4.976,1327 2.262,1328 3.808,1329 0.131,1330 0.052,1331 3.808,1332 1.494,1333 2.497,1334 0.083,1335 0.029,1336 2.497,1337 0.861,1338 0.469,1339 46.331,1340 0.307,1341 15.46,1342 0.837,1343 74,1344 267.094,1345 83.674,1346 254.581,1347 332.29,1348 234,1349 83,1350 239.168,1351 92.177,1352 235.395,1353 333.94,1354 220,1355 5} {0 CHEMBL71798,1 1.453,2 14.433,3 2.76,4 7.615,5 119.978,6 6.714,7 0.364,8 4.194,9 4.32,10 3.679,11 3.687,12 5.174,13 3.657,14 4.785,15 4.98,16 4.01,17 4.088,18 5.705,19 4.036,20 5.033,21 5.249,22 4.096,23 4.289,24 5.922,25 4.198,26 5.13,27 5.357,28 3.98,29 4.329,30 5.985,31 4.186,32 5.182,33 5.464,34 3.867,35 4.274,36 5.892,37 4.094,38 5.088,39 5.38,40 3.799,41 4.105,42 5.801,43 3.954,44 4.895,45 5.136,46 3.768,47 4.004,48 5.769,49 3.891,50 4.877,51 5.122,52 3.602,53 4.023,54 5.638,55 3.853,56 0.035,57 0.872,58 14.307,59 5.773,60 8.526,61 8.033,62 0.343,63 1.415,64 27.561,65 9.162,66 27.837,67 13.231,68 0.36,69 1.74,70 35.268,71 12.659,72 38.084,73 17.994,74 0.388,75 1.841,76 38.844,77 14.554,78 46.863,79 20.69,80 0.334,81 1.852,82 41.237,83 15.118,84 37.207,85 22.421,86 0.386,87 1.636,88 38.359,89 12.424,90 38.603,91 18.81,92 0.626,93 1.394,94 31.842,95 9.989,96 46.996,97 14.6,98 0.297,99 1.39,100 30.212,101 11.273,102 29.683,103 16.23,104 15,105 45,106 0.236,107 0.546,108 0.761,109 0.843,110 0.843,111 0.843,112 3.44,113 0.978,114 -3.59,115 -3.56,116 -3.4,119 39.3,121 2,124 2,125 6,127 1,140 7,141 3,142 2,156 1,169 9,172 9,174 1,176 1,178 11,181 1,182 8,186 2,189 9,192 1,193 5,197 2,199 4,202 1,203 8,208 2,211 1,215 5,225 2,226 3,229 1,231 1,233 2,236 1,237 2,244 2,248 1,249 5,252 1,256 2,259 1500,260 20.756,261 20.756,262 20.756,263 20.756,264 20.756,265 19.266,266 30.215,267 12.161,268 21.351,269 16.135,270 16.135,271 16.135,272 16.135,273 16.135,274 13.689,275 37.858,276 5.582,277 16.91,278 4.478,279 2.573,280 1.252,281 0.746,282 0.746,283 0.746,284 4.141,288 1,289 1,290 936,291 3.317,295 371.995,299 143.918,302 2.167,303 21.649,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64.5,315 433,316 4.389,317 3.565,318 6.531,319 4.068,320 3.081,321 4.01,322 1.151,323 10.3,324 3.042,325 4.142,326 3.376,327 6.149,328 3.833,329 2.89,330 3.691,331 1.058,332 9.079,333 2.727,334 3.964,335 3.151,336 5.995,337 3.682,338 2.687,339 3.294,340 0.86,341 8.455,342 2.666,343 3.702,344 2.827,345 5.365,346 3.441,347 2.504,348 2.942,349 0.8,350 7.007,351 2.34,352 3.446,353 2.683,354 5.279,355 3.238,356 2.312,357 2.504,358 0.8,359 6.708,360 2.139,361 3.181,362 2.468,363 5.147,364 2.973,365 2.008,366 2.267,368 6.067,369 1.926,370 2.916,371 1.98,372 4.345,373 2.562,374 1.593,375 2.022,377 4.131,378 1.537,379 2.707,380 1.796,381 4.186,382 2.444,383 1.499,384 1.732,386 3.842,387 1.412,388 2.614,389 1.739,390 4.106,391 2.286,392 1.326,393 1.617,395 3.367,396 1.259,397 2.5,398 1.189,399 3.446,400 2,401 1.033,402 1.5,404 2.396,405 1,406 2.213,407 1.146,408 3.414,409 1.993,410 1,411 1.181,413 2.275,414 0.985,415 2,416 1.091,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 1.715,425 1.044,426 3.166,427 1.567,428 0.616,429 0.662,431 1.409,432 0.581,433 1.597,434 1,435 2.805,436 1.357,437 0.478,438 0.523,440 0.764,441 0.417,442 1.47,443 0.76,444 2.618,445 1.185,446 0.202,447 0.235,449 0.273,450 0.196,451 14.2,452 0.473,453 0.585,454 0.019,455 34.25,456 1.142,457 14.5,458 0.483,459 19.75,460 0.658,461 27.984,462 0.933,463 33.8,464 0.554,465 25.294,466 0.843,467 6.916,468 0.231,469 7.757,470 0.259,471 0.094,473 0.303,479 0.832,480 1.494,481 0.873,482 1.254,483 0.615,484 1.092,485 1.298,486 1.004,487 1.019,488 0.894,489 0.725,490 0.9,491 1.104,492 0.999,493 1.046,494 1.014,495 0.812,496 1.015,497 0.966,498 1.18,499 1.174,500 1.227,501 1.189,502 1.236,503 0.536,504 1.096,505 0.909,506 1.102,507 0.602,508 1.067,509 0.906,510 0.958,511 0.869,512 0.898,513 0.825,514 0.876,515 1.323,516 0.878,517 1.15,518 0.897,519 1.18,520 0.98,521 0.837,522 1.219,523 1.162,524 1.268,525 0.859,526 1.271,527 5.5,528 0.116,529 3.778,530 1.25,531 1.351,532 1.042,533 0.588,534 0.257,535 0.253,536 0.234,537 13499,538 31870,539 2.107,540 50.8,542 26,545 1,547 2,548 2,550 1.721,551 2,552 3.77,553 -0.382,555 1,559 88.646,560 1.453,561 3.358,562 4.679,563 5.185,564 5.185,565 5.185,566 3.261,567 4.19,568 4.875,569 3.938,570 1712.84,571 8.468,572 25022.9,574 1,577 361.775,578 1.295,579 4.851,580 0.167,581 0.005,582 0.084,583 0.026,584 0.034,585 0.03,586 0.018,587 0.008,588 0.01,589 0.011,590 0.391,591 0.5,592 1,593 0.92,594 157.854,596 -0.236,597 0.076,598 -0.105,600 -0.019,601 -0.122,602 0.146,603 -0.01,604 0.117,605 0.016,606 0.081,607 -0.105,608 0.079,609 -0.065,610 0.011,611 0.036,612 -0.013,613 -0.073,614 -0.16,615 -0.214,616 -0.189,617 -0.104,618 -0.22,619 0.083,620 -0.154,621 0.029,622 -0.106,623 0.013,624 -0.057,625 -0.011,626 -0.029,627 0.113,628 0.039,629 -0.017,630 0.088,631 -0.013,632 0.133,633 -0.123,634 0.051,635 -0.036,636 -0.035,637 -0.024,638 -0.235,639 -0.21,640 -0.243,641 -0.087,642 -0.257,643 1.699,644 4.915,645 0.733,646 35.067,647 0.994,648 1.13,649 2.362,650 5.581,651 0.64,652 3.526,653 3.829,654 4.111,655 4.317,656 4.575,657 4.654,658 4.779,659 4.804,660 4.92,661 4.977,662 8.049,663 0.6,664 409.58,665 3.526,666 5.056,667 5.905,668 6.767,669 7.63,670 8.498,671 9.365,672 10.235,673 11.105,674 11.977,675 4.9,678 1,681 1,682 1,688 7,693 5,695 12,702 1,709 1,712 1,714 61,716 13,717 2,718 33,720 64,721 24,722 12,723 5,724 7,725 1,730 4,731 5,740 2,743 3,745 13,746 11,750 1,755 1,759 1,761 1,764 31,765 6,766 1,767 6,773 3,777 0.75,778 3,793 4,797 1,815 1,818 1,819 3,823 2,827 30,833 8,834 1,835 2,837 1,838 2,847 4.9,850 1,851 1,852 1,854 15,855 11.317,856 6.778,857 3.751,858 2.196,859 1.278,860 0.971,861 6.928,862 10.101,863 3.714,864 4.22,865 4.741,866 5.197,867 5.702,868 5.852,869 6.085,870 6.063,871 6.194,872 6.266,873 0.9,874 48,875 11.136,877 4.643,878 7.561,879 21.903,881 18.115,883 2.061,884 61.833,887 1,888 353.133,889 128.065,890 24.259,892 47.145,895 128.065,896 400.278,897 24.259,898 19.279,899 38.201,900 66.334,901 40.849,902 34.805,904 353.133,906 353.133,907 152.324,908 47.145,911 306.049,912 83.229,913 11,915 41.325,916 110.999,919 353.133,920 71.404,921 128.065,924 353.133,925 42.452,926 91.862,927 18.011,928 47.145,929 353.133,930 71.404,931 128.065,933 0.574,934 0.346,935 0.176,936 0.096,937 21,938 9,939 0.094,940 6,941 1,942 1.091,943 4.273,944 258.41,945 0.091,946 22,947 139.207,951 21.165,952 9.819,953 4.992,955 71.404,956 14.322,961 5.369,963 18.011,964 552.602,965 40,970 11.915,974 -0.032,975 60.658,976 68.936,977 0.245,978 0.566,979 0.789,980 0.874,981 0.874,982 0.874,983 4.956,984 1.499,985 5.872,986 4.131,987 4.511,988 4.905,989 2.229,990 6.655,991 4.429,992 6.11,993 1.326,994 7.416,995 3.842,996 4.007,997 4.59,998 0.57,999 7.516,1000 3.896,1001 7.391,1002 1.033,1003 9.058,1004 3.367,1005 6.084,1006 6.963,1007 2.201,1008 10.57,1009 5.937,1010 8.704,1011 1,1012 10.757,1013 2.396,1014 6.415,1015 7.478,1016 0.479,1017 12.251,1018 6.245,1019 10.051,1020 1,1021 12.493,1022 2.275,1023 7.921,1024 9.325,1025 2.283,1026 14.809,1027 7.722,1028 11.419,1029 0.616,1030 14.254,1031 2.275,1032 8.638,1033 10.223,1034 0.346,1035 16.83,1036 8.423,1037 12.805,1038 0.478,1039 16.033,1040 1.409,1041 9.905,1042 11.846,1043 2.419,1044 19.219,1045 9.666,1046 3.081,1047 0.202,1048 17.825,1049 0.764,1050 10.812,1051 12.943,1052 0.237,1053 21.393,1054 10.56,1055 2.89,1056 10.3,1057 19.628,1058 0.273,1059 11.975,1060 14.452,1061 2.59,1062 23.724,1063 11.704,1064 2.687,1065 9.079,1066 21.439,1067 4.01,1068 12.977,1069 15.66,1070 0.158,1071 25.968,1072 12.693,1073 2.504,1074 8.455,1075 23.256,1076 3.691,1077 14.097,1078 17.109,1079 2.785,1080 28.281,1081 13.797,1082 2.312,1083 7.007,1084 25.08,1085 3.294,1086 15.146,1087 18.383,1088 0.104,1089 30.56,1090 14.835,1091 2.008,1092 6.708,1093 26.908,1094 2.942,1095 16.25,1096 19.798,1097 2.998,1098 32.871,1099 15.925,1100 1.593,1101 6.067,1102 28.741,1103 2.504,1104 17.325,1105 21.112,1106 0.068,1107 35.168,1108 16.989,1109 12829,1110 19797,1111 22.364,1112 39.04,1113 48.752,1114 50.177,1115 50.334,1116 48.464,1117 48.455,1118 58.36,1119 9.338,1120 136.698,1121 46.381,1122 5.389,1123 5.565,1124 6.082,1125 5.152,1126 5.081,1127 7.01,1128 2.302,1129 17.165,1130 5.042,1131 13.33,1132 1.477,1133 1.521,1134 1.525,1135 1.469,1136 1.468,1137 1.768,1138 0.283,1139 4.142,1140 1.405,1141 4.033,1142 4.064,1143 3.972,1144 3.953,1145 7.429,1146 3.954,1147 3.946,1148 3.982,1149 3.884,1150 3.847,1151 4.874,1152 3.851,1153 3.755,1154 3.809,1155 3.649,1156 3.587,1157 4.773,1158 3.593,1159 3.598,1160 3.645,1161 3.508,1162 3.403,1163 4.446,1164 3.418,1165 3.402,1166 3.479,1167 3.252,1168 3.221,1169 4.409,1170 3.212,1171 3.325,1172 3.401,1173 3.159,1174 3.109,1175 4.239,1176 3.113,1177 3.234,1178 3.304,1179 3.052,1180 2.965,1181 4.163,1182 2.976,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.835,1188 2.91,1189 0.133,1190 0.108,1191 0.198,1192 0.123,1193 0.093,1194 4.389,1195 0.122,1196 3.565,1197 0.035,1198 6.531,1199 0.312,1200 4.068,1201 0.092,1202 3.081,1203 4.01,1204 1.151,1205 10.3,1206 3.042,1207 1.987,1208 1.966,1209 2.097,1210 2.093,1211 1.381,1212 2.095,1213 1.911,1214 1.878,1215 2.038,1216 2.051,1217 1.295,1218 2.05,1219 1.724,1220 1.663,1221 1.911,1222 1.903,1223 1.084,1224 1.907,1225 1.533,1226 1.488,1227 1.748,1228 1.772,1229 0.992,1230 1.762,1231 1.392,1232 1.319,1233 1.682,1234 1.617,1235 0.87,1236 1.642,1237 1.306,1238 1.222,1239 1.617,1240 1.546,1241 0.825,1242 1.573,1243 1.188,1244 1.114,1245 1.564,1246 1.493,1247 0.674,1248 1.518,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.575,1254 1.429,1255 4.205,1257 5.509,1259 7.024,1261 8.626,1263 10.273,1265 3.366,1271 7.778,1272 2.701,1273 11.339,1275 0.118,1276 4.958,1280 36.584,1281 88.646,1282 204.82,1283 285.394,1284 316.265,1285 316.265,1286 316.265,1287 47.231,1288 7.905,1289 54.04,1290 54.04,1291 24,1292 12.519,1293 3.807,1294 3,1295 47.462,1296 147,1297 154,1298 0.157,1299 223.293,1300 393.41,1301 536.595,1302 33453,1304 20.924,1305 0.697,1306 0.596,1307 20.924,1308 17.895,1309 14.673,1310 0.445,1311 0.326,1312 10.579,1313 14.026,1314 10.305,1315 8.491,1316 14.673,1317 10.755,1318 12.621,1319 0.28,1320 0.176,1321 12.621,1322 7.918,1323 11.258,1324 0.188,1325 0.103,1326 11.258,1327 6.187,1328 8.807,1329 0.119,1330 0.059,1331 8.807,1332 4.384,1333 7.254,1334 0.076,1335 0.033,1336 7.254,1337 3.169,1338 0.256,1339 92.386,1340 0.211,1341 28.997,1342 0.407,1343 156,1344 420.83,1345 170.52,1346 396.389,1347 542.97,1348 376,1349 183,1350 390.065,1351 198.022,1352 394.467,1353 577.38,1354 371,1355 6.526} {0 CHEMBL71804,1 1.266,2 7.955,3 4.702,4 22.107,5 92.304,6 6.287,7 0.417,8 3.905,9 4.048,10 3.336,11 3.47,12 4.85,13 3.404,14 4.501,15 4.716,16 3.671,17 3.895,18 5.281,19 3.794,20 4.796,21 5.053,22 3.778,23 4.074,24 5.543,25 3.944,26 4.885,27 5.143,28 3.779,29 4.148,30 5.648,31 3.998,32 4.973,33 5.25,34 3.676,35 4.162,36 5.678,37 3.97,38 4.996,39 5.309,40 3.534,41 4.061,42 5.702,43 3.846,44 4.82,45 5.144,46 3.307,47 3.868,48 5.533,49 3.647,50 4.515,51 4.812,52 3.098,53 3.634,54 5.287,55 3.429,56 0.056,57 0.681,58 11.234,59 4.554,60 9.933,61 6.663,62 0.13,63 1.135,64 20.499,65 7.802,66 11.519,67 11.652,68 0.186,69 1.434,70 27.483,71 10.218,72 20.789,73 15.4,74 0.224,75 1.552,76 30.015,77 11.477,78 24.603,79 17.081,80 0.176,81 1.609,82 32.347,83 12.984,84 24.507,85 19.151,86 0.244,87 1.57,88 33.234,89 12.474,90 33.249,91 18.76,92 0.222,93 1.292,94 27.822,95 10.379,96 31.118,97 15.611,98 0.136,99 0.985,100 20.456,101 7.749,102 20.709,103 11.633,104 24,105 33,106 0.218,107 0.547,108 0.755,109 0.797,110 0.797,111 0.797,112 3.148,113 1.068,114 -4.48,115 -4.4,116 -4.15,119 40.4,120 2,121 5,125 2,127 1,140 2,141 4,149 1,150 1,156 1,169 10,172 5,176 3,178 11,182 5,186 2,189 11,193 3,195 1,197 2,199 10,203 5,208 1,211 11,215 3,218 1,220 1,222 9,225 1,226 1,233 8,242 2,244 6,249 2,254 2,256 2,259 602,260 15.386,261 15.386,262 15.386,263 15.386,264 15.386,265 14.145,266 16.88,267 9.213,268 15.561,269 11.722,270 11.722,271 11.722,272 11.722,273 11.722,274 9.686,275 19.123,276 4.082,277 12.027,278 4.289,279 2.378,280 1.171,281 0.926,282 0.926,283 0.926,284 3.83,288 1,289 1,290 369,291 3.317,294 40.473,295 85.808,298 68.667,299 73.354,302 1.149,303 11.377,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 45.5,315 175,316 4.695,317 4.075,318 6.919,319 4.257,320 3.266,321 4.654,322 2.035,323 11.66,324 3.237,325 3.986,326 3.359,327 6.165,328 3.779,329 2.827,330 3.379,331 0.8,332 9.131,333 2.696,334 3.727,335 3.033,336 5.828,337 3.435,338 2.459,339 2.878,341 7.946,342 2.392,343 3.559,344 2.636,345 5.112,346 2.959,347 1.981,348 2.736,350 5.898,351 1.934,352 3.141,353 2.026,354 4.648,355 2.634,356 1.65,357 2.144,359 4.678,360 1.623,361 2.738,362 1.86,363 4.408,364 2.569,365 1.584,366 1.681,368 4.221,369 1.557,370 2.672,371 1.685,372 3.701,373 2.237,374 1.247,375 1.334,377 2.165,378 1.233,379 2.247,380 1.298,381 3.315,382 1.857,383 0.887,384 1.247,386 2.117,387 0.858,388 2.202,389 0.924,390 3.247,391 1.8,392 0.834,393 0.959,395 1.91,396 0.805,397 1.993,398 0.901,399 2.867,400 1.607,401 0.629,402 0.712,404 0.998,405 0.614,406 1.65,407 0.702,408 2.695,409 1.258,410 0.314,411 0.538,413 0.488,414 0.295,415 0.892,416 -0.03,417 2.523,418 0.637,419 -0.349,420 -0.401,422 -0.632,423 -0.343,424 0.808,425 -0.219,426 2.252,427 0.521,428 -0.445,429 -0.445,431 -0.832,432 -0.428,433 0.555,434 -0.287,435 2.163,436 0.372,437 -0.605,438 -0.767,440 -1.477,441 -0.59,442 0.289,443 -0.664,444 2,445 0.044,446 -0.944,447 -1.059,449 -1.874,450 -0.93,451 10.7,452 0.486,453 0.393,454 0.018,455 24.5,456 1.114,457 11,458 0.5,459 13.5,460 0.614,461 22.061,462 1.003,463 24.1,464 0.513,465 14.322,466 0.651,467 4.103,468 0.187,469 6.675,470 0.303,471 0.131,473 0.318,479 0.939,480 1.324,481 0.971,482 1.146,483 0.479,484 1.075,485 1.114,486 1.104,487 0.973,488 1.003,489 0.398,490 0.982,491 1.083,492 0.991,493 0.927,494 0.922,495 0.44,496 0.915,497 1.005,498 1,499 1.041,500 1.03,501 0.668,502 1.037,503 0.66,504 1.126,505 1.015,506 1.148,507 0.665,508 1.115,509 0.777,510 0.953,511 0.923,512 0.971,513 0.911,514 0.96,515 0.845,516 0.796,517 0.896,518 0.86,519 1.075,520 0.878,521 0.921,522 1.003,523 1.027,524 1.04,525 1.102,526 1.042,527 3.5,529 2.667,530 1.41,531 1.223,532 0.722,533 0.517,534 0.314,535 0.177,536 0.121,537 4315,538 8297,539 2.07,540 53.2,541 8,542 7,543 1,545 1,547 8,550 1.652,551 1.941,552 3.013,553 -0.399,559 59.504,560 1.266,561 3.177,562 4.384,563 4.629,564 4.629,565 4.629,566 2.431,567 3.914,568 4.429,569 3.128,570 722.647,571 7.644,572 7766.53,574 1,577 261.066,578 1.395,579 4.392,580 0.146,582 0.081,583 0.039,584 0.035,585 0.024,586 0.021,587 0.016,588 0.011,589 0.012,590 0.384,591 0.67,592 1,593 1.504,594 99.107,595 0.033,596 -0.098,597 0.057,598 -0.011,599 0.12,600 0.019,601 -0.044,602 0.01,603 0.039,604 0.044,605 0.036,606 0.047,607 -0.031,608 0.044,609 0.069,610 0.08,611 0.091,612 0.081,613 -0.02,614 0.028,615 -0.053,616 -0.022,617 0.061,618 -0.037,619 0.032,620 -0.174,621 -0.06,622 -0.135,623 0.03,624 -0.11,625 0.097,626 -0.045,627 0.036,628 -0.017,629 0.005,630 0.001,631 0.058,632 0.1,633 0.063,634 0.082,635 -0.038,636 0.074,637 -0.049,638 -0.067,639 -0.065,640 -0.069,641 -0.086,642 -0.068,643 0.87,644 3.389,645 0.591,646 15.636,647 0.979,648 1.129,649 3.247,650 10.543,651 0.647,652 3.219,653 3.526,654 3.871,655 4.19,656 4.431,657 4.554,658 4.71,659 4.86,660 4.883,661 4.796,662 4.969,663 0.593,664 295.47,665 3.219,666 4.745,667 5.617,668 6.512,669 7.41,670 8.317,671 9.225,672 10.136,673 11.048,674 11.962,675 6.4,678 1,683 1,684 1,687 2,688 3,690 1,693 3,695 10,697 1,714 47,716 11,717 1,718 24,720 49,721 19,722 8,723 4,724 2,730 3,731 6,736 2,740 4,743 6,744 1,745 8,746 10,764 25,765 2,766 1,767 3,773 3,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,827 22,833 7,837 1,838 1,840 1,843 1,845 1,854 11.333,855 8.983,856 5.139,857 3.469,858 2.334,859 1.329,860 0.973,861 4.616,862 9.431,863 3.466,864 4.012,865 4.681,866 5.329,867 5.864,868 6.266,869 6.634,870 7.046,871 7.169,872 7.311,873 1,874 36,875 8.161,877 3.389,878 7.462,879 16.37,881 13.829,883 1.962,884 43.167,885 0.001,887 1,888 282.506,889 93.41,890 50.969,895 93.41,896 282.506,897 50.969,898 17.65,899 16.884,900 28,901 16.602,902 63.099,903 13.915,904 270.735,906 282.506,907 144.379,911 188.338,912 94.169,915 85.504,916 58.875,919 282.506,920 50.969,921 93.41,924 282.506,925 31.158,926 48.775,927 33.387,928 31.059,929 282.506,930 50.969,931 93.41,933 0.558,934 0.35,935 0.211,936 0.118,937 16,938 7,939 0.102,940 5,941 2,942 1.308,943 3.325,944 177.038,945 0.308,946 13,947 92.107,951 15.279,952 6.647,953 2.85,954 2.27,955 34.184,956 6.227,958 3.247,961 3.64,963 16.786,964 426.886,965 31,975 46.025,976 53.062,977 0.228,978 0.572,979 0.789,980 0.833,981 0.833,982 0.833,983 4.714,984 0.887,985 5.595,986 2.165,987 4.205,988 4.696,989 2.326,990 6.454,991 4.157,992 5.91,993 0.834,994 7.177,995 2.117,996 3.761,997 4.543,998 0.325,999 7.469,1000 3.693,1001 7.224,1002 0.629,1003 8.866,1004 1.91,1005 5.826,1006 6.945,1007 3.576,1008 10.612,1009 5.735,1010 8.58,1011 0.314,1012 10.618,1013 0.998,1014 6.275,1015 7.75,1016 0.268,1017 12.484,1018 6.168,1019 9.976,1020 -0.349,1021 12.412,1022 0.488,1023 7.769,1024 9.596,1025 4.964,1026 15.144,1027 7.646,1028 11.4,1029 -0.445,1030 14.233,1031 -0.632,1032 8.618,1033 10.821,1034 0.188,1035 17.356,1036 8.486,1037 12.847,1038 -0.605,1039 16.074,1040 -0.832,1041 9.896,1042 12.469,1043 6.378,1044 19.865,1045 9.753,1046 3.266,1047 -0.944,1048 17.93,1049 -1.477,1050 10.924,1051 13.877,1052 0.125,1053 22.217,1054 10.775,1055 2.827,1056 11.66,1057 19.798,1058 -1.874,1059 12.124,1060 15.453,1061 7.797,1062 24.68,1063 11.967,1064 2.459,1065 9.131,1066 21.675,1067 4.654,1068 13.23,1069 16.937,1070 0.082,1071 27.089,1072 13.068,1073 1.981,1074 7.946,1075 23.56,1076 3.379,1077 14.404,1078 18.488,1079 9.217,1080 29.541,1081 14.237,1082 1.65,1083 5.898,1084 25.452,1085 2.878,1086 15.545,1087 20.003,1088 0.054,1089 31.974,1090 15.374,1091 1.584,1092 4.678,1093 27.349,1094 2.736,1095 16.714,1096 21.545,1097 10.638,1098 34.425,1099 16.538,1100 1.247,1101 4.221,1102 29.251,1103 2.144,1104 17.872,1105 23.073,1106 0.035,1107 36.87,1108 17.692,1109 4344,1110 6169,1111 16.008,1112 30.393,1113 36.805,1114 38.298,1115 37.418,1116 35.334,1117 35.357,1118 44.524,1119 5.669,1120 102.423,1121 34.489,1122 5.641,1123 6.075,1124 6.721,1125 5.272,1126 5.266,1127 7.654,1128 4.069,1129 18.941,1130 5.237,1131 10.309,1132 1.534,1133 1.596,1134 1.559,1135 1.472,1136 1.473,1137 1.855,1138 0.236,1139 4.268,1140 1.437,1141 4.163,1142 4.194,1143 4.125,1144 4.092,1145 6.82,1146 4.097,1147 3.821,1148 3.888,1149 3.712,1150 3.667,1151 4.927,1152 3.669,1153 3.617,1154 3.682,1155 3.486,1156 3.484,1157 4.383,1158 3.475,1159 3.501,1160 3.586,1161 3.279,1162 3.348,1163 4.231,1164 3.32,1165 3.336,1166 3.391,1167 3.234,1168 3.226,1169 4.04,1170 3.219,1171 3.108,1172 3.195,1173 3.003,1174 2.913,1175 3.939,1176 2.913,1177 3.032,1178 3.119,1179 2.845,1180 2.848,1181 3.64,1182 2.846,1183 2.958,1184 3.057,1185 2.757,1186 2.721,1187 3.537,1188 2.723,1189 0.196,1190 0.17,1191 0.288,1192 0.177,1193 0.136,1194 4.695,1195 0.194,1196 4.075,1197 0.085,1198 6.919,1199 0.486,1200 4.257,1201 0.135,1202 3.266,1203 4.654,1204 2.035,1205 11.66,1206 3.237,1207 2.031,1208 2.008,1209 2.139,1210 2.115,1211 1.478,1212 2.125,1213 1.74,1214 1.675,1215 1.965,1216 1.925,1217 1.232,1218 1.94,1219 1.553,1220 1.503,1221 1.861,1222 1.757,1223 1.09,1224 1.785,1225 1.539,1226 1.464,1227 1.751,1228 1.738,1229 0.991,1230 1.754,1231 1.52,1232 1.459,1233 1.646,1234 1.654,1235 0.778,1236 1.666,1237 1.177,1238 1.1,1239 1.484,1240 1.4,1241 0.639,1242 1.434,1243 0.993,1244 0.898,1245 1.371,1246 1.247,1247 0.544,1248 1.295,1249 0.942,1250 0.858,1251 1.24,1252 1.189,1253 0.403,1254 1.185,1255 3.892,1257 5.198,1258 2.398,1259 6.727,1260 4.727,1261 8.367,1262 6.843,1263 10.066,1265 4.523,1271 8.242,1275 0.624,1276 2.653,1278 9.389,1279 2.35,1280 27.859,1281 59.504,1282 149.317,1283 206.046,1284 217.556,1285 217.556,1286 217.556,1287 31.653,1288 7.098,1289 42.82,1290 42.82,1291 17,1292 12.475,1293 3.585,1294 3,1295 34.227,1296 65,1297 66,1298 0.268,1299 173.663,1300 295.54,1301 415.498,1302 9950,1304 15.527,1305 0.706,1306 0.621,1307 15.527,1308 13.654,1309 10.779,1310 0.449,1311 0.356,1312 8.485,1313 10.567,1314 8.223,1315 6.886,1316 10.779,1317 8.54,1318 8.995,1319 0.273,1320 0.193,1321 8.995,1322 6.373,1323 7.998,1324 0.17,1325 0.104,1326 7.998,1327 4.896,1328 7.056,1329 0.109,1330 0.06,1331 7.056,1332 3.919,1333 5.799,1334 0.07,1335 0.035,1336 5.799,1337 2.918,1338 0.403,1339 66.055,1340 0.25,1341 21.151,1342 0.789,1343 114,1344 237.623,1345 118.829,1346 242.133,1347 341.19,1348 228,1349 137,1350 257.845,1351 142.495,1352 265.947,1353 390.86,1354 252,1355 7.377} {0 CHEMBL71838,1 1.453,2 14.433,3 2.76,4 7.615,5 119.978,6 6.714,7 0.364,8 4.194,9 4.32,10 3.679,11 3.687,12 5.174,13 3.657,14 4.785,15 4.98,16 4.01,17 4.088,18 5.705,19 4.036,20 5.033,21 5.249,22 4.096,23 4.289,24 5.922,25 4.198,26 5.13,27 5.357,28 3.98,29 4.329,30 5.985,31 4.186,32 5.182,33 5.464,34 3.867,35 4.274,36 5.892,37 4.094,38 5.088,39 5.38,40 3.799,41 4.105,42 5.801,43 3.954,44 4.895,45 5.136,46 3.768,47 4.004,48 5.769,49 3.891,50 4.877,51 5.122,52 3.602,53 4.023,54 5.638,55 3.853,56 0.035,57 0.872,58 14.307,59 5.773,60 8.526,61 8.033,62 0.343,63 1.415,64 27.561,65 9.162,66 27.837,67 13.231,68 0.36,69 1.74,70 35.268,71 12.659,72 38.084,73 17.994,74 0.388,75 1.841,76 38.844,77 14.554,78 46.863,79 20.69,80 0.334,81 1.852,82 41.237,83 15.118,84 37.207,85 22.421,86 0.386,87 1.636,88 38.359,89 12.424,90 38.603,91 18.81,92 0.626,93 1.394,94 31.842,95 9.989,96 46.996,97 14.6,98 0.297,99 1.39,100 30.212,101 11.273,102 29.683,103 16.23,104 15,105 45,106 0.236,107 0.546,108 0.761,109 0.843,110 0.843,111 0.843,112 3.44,113 0.978,114 -3.59,115 -3.56,116 -3.4,119 39.3,121 2,124 2,125 6,127 1,140 7,141 3,142 2,156 1,169 9,172 9,174 1,176 1,178 11,181 1,182 8,186 2,189 9,192 1,193 5,197 2,199 4,202 1,203 8,208 2,211 1,215 5,225 2,226 3,229 1,231 1,233 2,236 1,237 2,244 2,248 1,249 5,252 1,256 2,259 1500,260 20.756,261 20.756,262 20.756,263 20.756,264 20.756,265 19.266,266 30.215,267 12.161,268 21.351,269 16.135,270 16.135,271 16.135,272 16.135,273 16.135,274 13.689,275 37.858,276 5.582,277 16.91,278 4.478,279 2.573,280 1.252,281 0.746,282 0.746,283 0.746,284 4.141,288 1,289 1,290 936,291 3.317,295 371.995,299 143.918,302 2.167,303 21.649,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 64.5,315 433,316 4.389,317 3.565,318 6.531,319 4.068,320 3.081,321 4.01,322 1.151,323 10.3,324 3.042,325 4.142,326 3.376,327 6.149,328 3.833,329 2.89,330 3.691,331 1.058,332 9.079,333 2.727,334 3.964,335 3.151,336 5.995,337 3.682,338 2.687,339 3.294,340 0.86,341 8.455,342 2.666,343 3.702,344 2.827,345 5.365,346 3.441,347 2.504,348 2.942,349 0.8,350 7.007,351 2.34,352 3.446,353 2.683,354 5.279,355 3.238,356 2.312,357 2.504,358 0.8,359 6.708,360 2.139,361 3.181,362 2.468,363 5.147,364 2.973,365 2.008,366 2.267,368 6.067,369 1.926,370 2.916,371 1.98,372 4.345,373 2.562,374 1.593,375 2.022,377 4.131,378 1.537,379 2.707,380 1.796,381 4.186,382 2.444,383 1.499,384 1.732,386 3.842,387 1.412,388 2.614,389 1.739,390 4.106,391 2.286,392 1.326,393 1.617,395 3.367,396 1.259,397 2.5,398 1.189,399 3.446,400 2,401 1.033,402 1.5,404 2.396,405 1,406 2.213,407 1.146,408 3.414,409 1.993,410 1,411 1.181,413 2.275,414 0.985,415 2,416 1.091,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 1.715,425 1.044,426 3.166,427 1.567,428 0.616,429 0.662,431 1.409,432 0.581,433 1.597,434 1,435 2.805,436 1.357,437 0.478,438 0.523,440 0.764,441 0.417,442 1.47,443 0.76,444 2.618,445 1.185,446 0.202,447 0.235,449 0.273,450 0.196,451 14.2,452 0.473,453 0.585,454 0.019,455 34.25,456 1.142,457 14.5,458 0.483,459 19.75,460 0.658,461 27.984,462 0.933,463 33.8,464 0.554,465 25.294,466 0.843,467 6.916,468 0.231,469 7.757,470 0.259,471 0.094,473 0.303,479 0.832,480 1.494,481 0.873,482 1.254,483 0.615,484 1.092,485 1.298,486 1.004,487 1.019,488 0.894,489 0.725,490 0.9,491 1.104,492 0.999,493 1.046,494 1.014,495 0.812,496 1.015,497 0.966,498 1.18,499 1.174,500 1.227,501 1.189,502 1.236,503 0.536,504 1.096,505 0.909,506 1.102,507 0.602,508 1.067,509 0.906,510 0.958,511 0.869,512 0.898,513 0.825,514 0.876,515 1.323,516 0.878,517 1.15,518 0.897,519 1.18,520 0.98,521 0.837,522 1.219,523 1.162,524 1.268,525 0.859,526 1.271,527 5.5,528 0.116,529 3.778,530 1.25,531 1.351,532 1.042,533 0.588,534 0.257,535 0.253,536 0.234,537 13499,538 31870,539 2.107,540 50.8,542 26,545 1,547 2,548 2,550 1.721,551 2,552 3.77,553 -0.382,555 1,559 88.646,560 1.453,561 3.358,562 4.679,563 5.185,564 5.185,565 5.185,566 3.261,567 4.19,568 4.875,569 3.938,570 1712.84,571 8.468,572 25022.9,574 1,577 361.775,578 1.295,579 4.851,580 0.167,581 0.005,582 0.084,583 0.026,584 0.034,585 0.03,586 0.018,587 0.008,588 0.01,589 0.011,590 0.391,591 0.5,592 1,593 0.92,594 157.854,596 -0.236,597 0.076,598 -0.105,600 -0.019,601 -0.122,602 0.146,603 -0.01,604 0.117,605 0.016,606 0.081,607 -0.105,608 0.079,609 -0.065,610 0.011,611 0.036,612 -0.013,613 -0.073,614 -0.16,615 -0.214,616 -0.189,617 -0.104,618 -0.22,619 0.083,620 -0.154,621 0.029,622 -0.106,623 0.013,624 -0.057,625 -0.011,626 -0.029,627 0.113,628 0.039,629 -0.017,630 0.088,631 -0.013,632 0.133,633 -0.123,634 0.051,635 -0.036,636 -0.035,637 -0.024,638 -0.235,639 -0.21,640 -0.243,641 -0.087,642 -0.257,643 1.699,644 4.915,645 0.733,646 35.067,647 0.994,648 1.13,649 2.362,650 5.581,651 0.64,652 3.526,653 3.829,654 4.111,655 4.317,656 4.575,657 4.654,658 4.779,659 4.804,660 4.92,661 4.977,662 8.049,663 0.6,664 409.58,665 3.526,666 5.056,667 5.905,668 6.767,669 7.63,670 8.498,671 9.365,672 10.235,673 11.105,674 11.977,675 4.9,678 1,681 1,682 1,688 7,693 5,695 12,702 1,709 1,712 1,714 61,716 13,717 2,718 33,720 64,721 24,722 12,723 5,724 7,725 1,730 4,731 5,740 2,743 3,745 13,746 11,750 1,755 1,759 1,761 1,764 31,765 6,766 1,767 6,773 3,777 0.75,778 3,793 4,797 1,815 1,818 1,819 3,823 2,827 30,833 8,834 1,835 2,837 1,838 2,847 4.9,850 1,851 1,852 1,854 15,855 11.317,856 6.778,857 3.751,858 2.196,859 1.278,860 0.971,861 6.928,862 10.101,863 3.714,864 4.22,865 4.741,866 5.197,867 5.702,868 5.852,869 6.085,870 6.063,871 6.194,872 6.266,873 0.9,874 48,875 11.136,877 4.643,878 7.561,879 21.903,881 18.115,883 2.061,884 61.833,887 1,888 353.133,889 128.065,890 24.259,892 47.145,895 128.065,896 400.278,897 24.259,898 19.279,899 38.201,900 66.334,901 40.849,902 34.805,904 353.133,906 353.133,907 152.324,908 47.145,911 306.049,912 83.229,913 11,915 41.325,916 110.999,919 353.133,920 71.404,921 128.065,924 353.133,925 42.452,926 91.862,927 18.011,928 47.145,929 353.133,930 71.404,931 128.065,933 0.574,934 0.346,935 0.176,936 0.096,937 21,938 9,939 0.094,940 6,941 1,942 1.091,943 4.273,944 258.41,945 0.091,946 22,947 139.207,951 21.165,952 9.819,953 4.992,955 71.404,956 14.322,961 5.369,963 18.011,964 552.602,965 40,970 11.915,974 -0.032,975 60.658,976 68.936,977 0.245,978 0.566,979 0.789,980 0.874,981 0.874,982 0.874,983 4.956,984 1.499,985 5.872,986 4.131,987 4.511,988 4.905,989 2.229,990 6.655,991 4.429,992 6.11,993 1.326,994 7.416,995 3.842,996 4.007,997 4.59,998 0.57,999 7.516,1000 3.896,1001 7.391,1002 1.033,1003 9.058,1004 3.367,1005 6.084,1006 6.963,1007 2.201,1008 10.57,1009 5.937,1010 8.704,1011 1,1012 10.757,1013 2.396,1014 6.415,1015 7.478,1016 0.479,1017 12.251,1018 6.245,1019 10.051,1020 1,1021 12.493,1022 2.275,1023 7.921,1024 9.325,1025 2.283,1026 14.809,1027 7.722,1028 11.419,1029 0.616,1030 14.254,1031 2.275,1032 8.638,1033 10.223,1034 0.346,1035 16.83,1036 8.423,1037 12.805,1038 0.478,1039 16.033,1040 1.409,1041 9.905,1042 11.846,1043 2.419,1044 19.219,1045 9.666,1046 3.081,1047 0.202,1048 17.825,1049 0.764,1050 10.812,1051 12.943,1052 0.237,1053 21.393,1054 10.56,1055 2.89,1056 10.3,1057 19.628,1058 0.273,1059 11.975,1060 14.452,1061 2.59,1062 23.724,1063 11.704,1064 2.687,1065 9.079,1066 21.439,1067 4.01,1068 12.977,1069 15.66,1070 0.158,1071 25.968,1072 12.693,1073 2.504,1074 8.455,1075 23.256,1076 3.691,1077 14.097,1078 17.109,1079 2.785,1080 28.281,1081 13.797,1082 2.312,1083 7.007,1084 25.08,1085 3.294,1086 15.146,1087 18.383,1088 0.104,1089 30.56,1090 14.835,1091 2.008,1092 6.708,1093 26.908,1094 2.942,1095 16.25,1096 19.798,1097 2.998,1098 32.871,1099 15.925,1100 1.593,1101 6.067,1102 28.741,1103 2.504,1104 17.325,1105 21.112,1106 0.068,1107 35.168,1108 16.989,1109 12829,1110 19797,1111 22.364,1112 39.04,1113 48.752,1114 50.177,1115 50.334,1116 48.464,1117 48.455,1118 58.36,1119 9.338,1120 136.698,1121 46.381,1122 5.389,1123 5.565,1124 6.082,1125 5.152,1126 5.081,1127 7.01,1128 2.302,1129 17.165,1130 5.042,1131 13.33,1132 1.477,1133 1.521,1134 1.525,1135 1.469,1136 1.468,1137 1.768,1138 0.283,1139 4.142,1140 1.405,1141 4.033,1142 4.064,1143 3.972,1144 3.953,1145 7.429,1146 3.954,1147 3.946,1148 3.982,1149 3.884,1150 3.847,1151 4.874,1152 3.851,1153 3.755,1154 3.809,1155 3.649,1156 3.587,1157 4.773,1158 3.593,1159 3.598,1160 3.645,1161 3.508,1162 3.403,1163 4.446,1164 3.418,1165 3.402,1166 3.479,1167 3.252,1168 3.221,1169 4.409,1170 3.212,1171 3.325,1172 3.401,1173 3.159,1174 3.109,1175 4.239,1176 3.113,1177 3.234,1178 3.304,1179 3.052,1180 2.965,1181 4.163,1182 2.976,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.835,1188 2.91,1189 0.133,1190 0.108,1191 0.198,1192 0.123,1193 0.093,1194 4.389,1195 0.122,1196 3.565,1197 0.035,1198 6.531,1199 0.312,1200 4.068,1201 0.092,1202 3.081,1203 4.01,1204 1.151,1205 10.3,1206 3.042,1207 1.987,1208 1.966,1209 2.097,1210 2.093,1211 1.381,1212 2.095,1213 1.911,1214 1.878,1215 2.038,1216 2.051,1217 1.295,1218 2.05,1219 1.724,1220 1.663,1221 1.911,1222 1.903,1223 1.084,1224 1.907,1225 1.533,1226 1.488,1227 1.748,1228 1.772,1229 0.992,1230 1.762,1231 1.392,1232 1.319,1233 1.682,1234 1.617,1235 0.87,1236 1.642,1237 1.306,1238 1.222,1239 1.617,1240 1.546,1241 0.825,1242 1.573,1243 1.188,1244 1.114,1245 1.564,1246 1.493,1247 0.674,1248 1.518,1249 1.153,1250 1.064,1251 1.513,1252 1.376,1253 0.575,1254 1.429,1255 4.205,1257 5.509,1259 7.024,1261 8.626,1263 10.273,1265 3.366,1271 7.778,1272 2.701,1273 11.339,1275 0.118,1276 4.958,1280 36.584,1281 88.646,1282 204.82,1283 285.394,1284 316.265,1285 316.265,1286 316.265,1287 47.231,1288 7.905,1289 54.04,1290 54.04,1291 24,1292 12.519,1293 3.807,1294 3,1295 47.462,1296 147,1297 154,1298 0.157,1299 223.293,1300 393.41,1301 536.595,1302 33453,1304 20.924,1305 0.697,1306 0.596,1307 20.924,1308 17.895,1309 14.673,1310 0.445,1311 0.326,1312 10.579,1313 14.026,1314 10.305,1315 8.491,1316 14.673,1317 10.755,1318 12.621,1319 0.28,1320 0.176,1321 12.621,1322 7.918,1323 11.258,1324 0.188,1325 0.103,1326 11.258,1327 6.187,1328 8.807,1329 0.119,1330 0.059,1331 8.807,1332 4.384,1333 7.254,1334 0.076,1335 0.033,1336 7.254,1337 3.169,1338 0.256,1339 92.386,1340 0.211,1341 28.997,1342 0.407,1343 156,1344 420.83,1345 170.52,1346 396.389,1347 542.97,1348 376,1349 183,1350 390.065,1351 198.022,1352 394.467,1353 577.38,1354 371,1355 9.023} {0 CHEMBL71899,1 1.439,2 8.76,3 6.021,4 36.25,5 96.992,6 6.779,7 0.37,8 4.021,9 4.16,10 3.492,11 3.533,12 4.983,13 3.49,14 4.657,15 4.864,16 3.946,17 3.96,18 6.04,19 3.892,20 4.92,21 5.174,22 3.897,23 4.139,24 5.789,25 4.027,26 4.998,27 5.247,28 3.975,29 4.229,30 5.849,31 4.105,32 5.131,33 5.395,34 4.006,35 4.262,36 6.068,37 4.117,38 5.166,39 5.463,40 3.889,41 4.189,42 6.036,43 4.026,44 5.073,45 5.381,46 3.755,47 4.014,48 6.029,49 3.868,50 4.82,51 5.108,52 3.528,53 3.785,54 5.878,55 3.644,56 0.018,57 0.947,58 11.975,59 5.403,60 14.58,61 7.183,62 0.733,63 1.851,64 25.166,65 9.062,66 138.689,67 12.546,68 0.371,69 1.745,70 32.213,71 11.519,72 52.235,73 16.347,74 0.234,75 1.908,76 34.013,77 12.898,78 35.096,79 18.422,80 0.487,81 2.148,82 40.07,83 14.721,84 65.206,85 20.728,86 0.391,87 2.049,88 42.023,89 14.728,90 68.308,91 20.893,92 0.544,93 1.919,94 39.752,95 12.744,96 95.353,97 17.574,98 0.71,99 1.546,100 31.445,101 9.758,102 87.722,103 13.231,104 45,105 39,106 0.245,107 0.532,108 0.749,109 0.805,110 0.805,111 0.805,112 3.268,113 1.038,114 -5.69,115 -5.56,116 -5.18,119 38.5,120 2,121 6,125 2,127 1,131 1,140 2,141 4,149 1,150 1,169 11,172 4,176 3,178 12,182 4,186 3,189 12,193 2,197 2,199 13,203 2,208 1,211 13,215 2,218 1,220 1,222 10,233 8,242 2,244 8,254 2,256 4,259 908,260 16.618,261 16.618,262 16.618,263 16.618,264 16.618,265 15.469,266 18.145,267 9.821,268 17.055,269 13.299,270 13.299,271 13.299,272 13.299,273 13.299,274 11.478,275 20.339,276 4.508,277 14.107,278 4.261,279 2.573,280 1.294,281 0.967,282 0.967,283 0.967,284 3.945,289 1,290 454,291 4.123,294 47.299,295 101.855,298 80.649,299 86.945,302 1.309,303 32.83,306 0.75,307 1,308 1,309 1,310 1,311 1,312 1,313 0.96,314 55.5,315 219,316 4.692,317 4.274,318 6.936,319 4.277,320 3.304,321 4.641,322 3.02,323 11.736,324 3.246,325 4.127,326 3.398,327 6.431,328 3.921,329 3.077,330 3.376,331 0.8,332 10.1,333 2.722,334 3.924,335 3.056,336 6.155,337 3.742,338 2.81,339 3.113,341 9.103,342 2.501,343 3.68,344 2.686,345 5.809,346 3.401,347 2.433,348 2.774,350 7.897,351 2.303,352 3.337,353 2.073,354 5.076,355 2.896,356 1.923,357 2.655,359 5.832,360 1.857,361 2.881,362 1.905,363 4.637,364 2.611,365 1.634,366 2.006,368 4.661,369 1.592,370 2.673,371 1.687,372 4.408,373 2.542,374 1.556,375 1.68,377 4.217,378 1.528,379 2.254,380 1.298,381 3.703,382 2.237,383 1.247,384 1.247,386 2.165,387 1.233,388 2.247,389 0.941,390 3.336,391 1.828,392 0.838,393 1.159,395 2.117,396 0.829,397 1.997,398 0.909,399 3.247,400 1.782,401 0.834,402 0.94,404 1.89,405 0.789,406 1.653,407 0.714,408 3.087,409 1.583,410 0.604,411 0.63,413 0.985,414 0.59,415 1.06,416 0.51,417 2.824,418 0.809,419 -0.149,420 -0.171,422 -0.451,423 -0.141,424 0.892,425 0.51,426 2.538,427 0.634,428 -0.351,429 -0.406,431 -0.632,432 -0.345,433 0.555,434 0.154,435 2.321,436 0.521,437 -0.445,438 -0.445,440 -0.835,441 -0.428,442 0.498,443 -0.196,444 2.229,445 0.243,446 -0.737,447 -0.832,449 -1.843,450 -0.7,451 11.657,452 0.466,453 0.747,454 0.03,455 23.5,456 0.94,457 8,458 0.32,459 15.5,460 0.62,461 28.506,462 1.14,463 29.743,464 0.572,465 16.698,466 0.668,467 4.133,468 0.165,469 7.792,470 0.312,471 0.159,472 0.043,473 0.292,476 3,479 0.547,480 1.098,481 0.823,482 1.217,483 0.546,484 1.124,485 0.404,486 0.804,487 0.8,488 1.021,489 0.29,490 1.014,491 0.729,492 0.801,493 0.936,494 0.92,495 0.627,496 0.963,497 0.472,498 0.837,499 0.874,500 1.078,501 0.351,502 1.08,503 0.548,504 0.912,505 0.894,506 1.157,507 0.584,508 1.138,509 0.598,510 0.904,511 0.805,512 1.034,513 0.582,514 0.994,515 1.009,516 0.976,517 0.903,518 0.899,519 1.013,520 0.877,521 1.229,522 0.967,523 1.143,524 0.959,525 1.352,526 1.016,527 6,528 0.099,529 2.889,530 1.785,531 1.453,532 1.24,533 0.744,534 0.514,535 0.337,536 0.201,537 6004,538 15584,539 2.005,540 51.9,541 8,542 7,543 1,545 1,547 8,549 2,550 1.687,551 1.84,552 3.133,553 -0.356,559 74.847,560 1.439,561 3.127,562 4.407,563 4.734,564 4.734,565 4.734,566 2.504,567 4.054,568 4.612,569 3.289,570 986.739,571 8.016,572 11655.5,577 296.423,578 1.673,579 4.546,580 0.222,581 0.012,582 0.074,583 0.046,584 0.035,585 0.032,586 0.022,587 0.018,588 0.015,589 0.013,590 0.489,591 0.5,592 0.88,593 1.57,594 118.365,595 -0.013,596 -0.063,597 0.036,598 -0.01,599 -0.059,600 0.018,601 0.407,602 0.222,603 0.136,604 0.054,605 0.47,606 0.031,607 -0.069,608 0.065,609 -0.028,610 0.09,611 -0.032,612 0.057,613 0.004,614 -0.056,615 -0.01,616 -0.056,617 0.054,618 -0.039,619 0.108,620 -0.069,621 0.009,622 -0.144,623 0.055,624 -0.113,625 0.05,626 -0.138,627 0.104,628 -0.078,629 0.044,631 -0.043,632 -0.076,633 0.081,634 0.029,635 -0.044,636 0.076,637 -0.016,638 0.1,639 -0.109,640 -0.008,641 -0.117,642 -0.071,643 5.428,644 4.962,645 0.52,646 20.464,647 1.002,648 1.151,649 4.461,650 19.901,651 0.625,652 3.332,653 3.689,654 3.932,655 4.277,656 4.533,657 4.7,658 4.883,659 5.011,660 5.088,661 5.075,662 5.489,663 0.588,664 352.49,665 3.332,666 4.89,667 5.74,668 6.653,669 7.533,670 8.454,671 9.349,672 10.272,673 11.175,674 12.1,675 3.8,678 1,683 1,687 2,688 3,690 1,693 3,695 10,714 52,716 10,717 1,718 27,720 54,721 20,722 8,723 4,724 2,730 3,731 6,736 3,740 4,742 1,743 7,745 8,746 12,762 3,764 27,765 4,766 1,767 5,773 2,777 0.333,788 1,792 1,793 2,796 1,797 1,815 1,819 1,823 2,825 3,827 25,833 8,837 1,838 1,839 1,846 3,854 13.583,855 9.712,856 5.514,857 3.714,858 2.139,859 1.29,860 0.973,861 5.554,862 9.521,863 3.497,864 4.082,865 4.653,866 5.307,867 5.832,868 6.238,869 6.655,870 7.022,871 7.156,872 7.318,873 0.833,874 39,875 9.686,877 4.455,878 7.957,879 18.101,881 15.393,883 2.457,884 61.417,888 306.049,889 87.102,890 19.91,893 44.88,895 87.102,896 306.049,897 64.79,898 17.65,899 19.419,900 28,902 76.92,903 13.915,904 294.278,905 7.76,906 306.049,907 107.012,908 44.88,911 211.88,912 139.049,915 64.738,916 42.274,919 350.929,920 19.91,921 87.102,924 313.808,925 33.692,926 48.775,927 16.786,928 44.88,929 306.049,930 64.79,931 87.102,933 0.578,934 0.317,935 0.189,936 0.111,937 19,938 9,939 0.111,940 6,941 2,942 1.308,943 3.512,944 211.855,945 0.308,946 13,947 105.342,951 18.479,952 7.513,953 4.096,954 1.642,955 48.005,956 5.563,958 3.042,961 2.74,963 16.786,964 457.941,965 32,975 52.112,976 59.829,977 0.253,978 0.549,979 0.773,980 0.83,981 0.83,982 0.83,983 4.775,984 1.247,985 5.778,986 4.217,987 4.369,988 4.766,989 2.75,990 6.658,991 4.266,992 5.991,993 0.838,994 7.38,995 2.165,996 4.205,997 4.771,998 3.093,999 7.849,1000 3.933,1001 7.326,1002 0.834,1003 9.089,1004 2.117,1005 6.075,1006 6.998,1007 4.554,1008 10.871,1009 5.855,1010 8.697,1011 0.604,1012 10.859,1013 1.89,1014 6.686,1015 7.842,1016 5.467,1017 12.808,1018 6.324,1019 10.103,1020 -0.149,1021 12.665,1022 0.985,1023 8.095,1024 9.624,1025 6.664,1026 15.419,1027 7.759,1028 11.532,1029 -0.351,1030 14.496,1031 -0.451,1032 9.024,1033 10.851,1034 7.722,1035 17.643,1036 8.599,1037 12.98,1038 -0.445,1039 16.343,1040 -0.632,1041 10.27,1042 12.474,1043 8.85,1044 20.127,1045 9.848,1046 3.304,1047 -0.737,1048 18.202,1049 -0.835,1050 11.334,1051 13.876,1052 9.943,1053 22.472,1054 10.863,1055 3.077,1056 11.736,1057 20.07,1058 -1.843,1059 12.522,1060 15.44,1061 11.055,1062 24.919,1063 12.046,1064 2.81,1065 10.1,1066 21.946,1067 4.641,1068 13.644,1069 16.918,1070 12.157,1071 27.317,1072 13.141,1073 2.433,1074 9.103,1075 23.828,1076 3.376,1077 14.814,1078 18.462,1079 13.264,1080 29.757,1081 14.305,1082 1.923,1083 7.897,1084 25.715,1085 3.113,1086 15.962,1087 19.973,1088 14.368,1089 32.181,1090 15.438,1091 1.634,1092 5.832,1093 27.607,1094 2.774,1095 17.13,1096 21.51,1097 15.474,1098 34.623,1099 16.599,1100 1.556,1101 4.661,1102 29.503,1103 2.655,1104 18.29,1105 23.035,1106 16.579,1107 37.061,1108 17.751,1109 6090,1110 10131,1111 17.394,1112 32.484,1113 40.858,1114 40.436,1115 42.094,1116 40.783,1117 40.517,1118 48.442,1119 7.64,1120 121.407,1121 38.38,1122 5.638,1123 6.274,1124 6.738,1125 5.295,1126 5.304,1127 7.641,1128 4.53,1129 19.048,1130 5.246,1131 14.36,1132 1.513,1133 1.498,1134 1.559,1135 1.51,1136 1.501,1137 1.794,1138 0.283,1139 4.497,1140 1.421,1141 4.169,1142 4.201,1143 4.128,1144 4.097,1145 8.513,1146 4.101,1147 3.825,1148 3.891,1149 3.717,1150 3.672,1151 7.999,1152 3.673,1153 3.643,1154 3.703,1155 3.558,1156 3.498,1157 7.999,1158 3.491,1159 3.501,1160 3.586,1161 3.42,1162 3.348,1163 4.944,1164 3.32,1165 3.499,1166 3.559,1167 3.279,1168 3.286,1169 4.387,1170 3.294,1171 3.259,1172 3.326,1173 3.136,1174 3.053,1175 4.237,1176 3.074,1177 3.044,1178 3.137,1179 2.848,1180 2.866,1181 4.04,1182 2.852,1183 3.007,1184 3.1,1185 2.814,1186 2.796,1187 3.953,1188 2.788,1189 0.174,1190 0.158,1191 0.257,1192 0.158,1193 0.122,1194 4.692,1195 0.172,1196 4.274,1197 0.112,1198 6.936,1199 0.435,1200 4.277,1201 0.12,1202 3.304,1203 4.641,1204 3.02,1205 11.736,1206 3.246,1207 2.034,1208 2.01,1209 2.142,1210 2.117,1211 1.482,1212 2.127,1213 1.742,1214 1.678,1215 1.967,1216 1.926,1217 1.238,1218 1.941,1219 1.62,1220 1.573,1221 1.861,1222 1.827,1223 1.09,1224 1.805,1225 1.539,1226 1.467,1227 1.774,1228 1.738,1229 1.069,1230 1.785,1231 1.531,1232 1.459,1233 1.75,1234 1.713,1235 0.904,1236 1.73,1237 1.18,1238 1.103,1239 1.484,1240 1.461,1241 0.756,1242 1.448,1243 1.128,1244 1.066,1245 1.385,1246 1.38,1247 0.564,1248 1.391,1249 0.986,1250 0.882,1251 1.329,1252 1.246,1253 0.43,1254 1.293,1255 4.007,1257 5.352,1258 2.398,1259 6.887,1260 4.727,1261 8.518,1262 6.843,1263 10.206,1265 4.371,1267 38.887,1271 6.387,1275 0.437,1276 2.526,1277 -4.178,1280 30.568,1281 74.847,1282 162.607,1283 229.139,1284 246.158,1285 246.158,1286 246.158,1287 53.814,1288 7.383,1289 19.03,1290 19.03,1291 17,1292 12.609,1293 3.459,1294 2.585,1295 41.453,1296 80,1297 84,1298 0.258,1299 185.911,1300 325.33,1301 445.382,1302 14318,1303 5.8,1304 18.027,1305 0.721,1306 0.602,1307 15.527,1308 15.047,1309 11.925,1310 0.442,1311 0.346,1312 9.217,1313 11.45,1314 8.995,1315 7.447,1316 10.779,1317 9.341,1318 11.351,1319 0.291,1320 0.184,1321 8.995,1322 7.164,1323 8.348,1324 0.167,1325 0.105,1326 7.998,1327 5.249,1328 7.604,1329 0.107,1330 0.06,1331 7.056,1332 4.261,1333 6.271,1334 0.068,1335 0.035,1336 5.799,1337 3.182,1338 0.39,1339 74.83,1340 0.24,1341 23.687,1342 0.751,1343 132,1344 474.311,1345 153.152,1346 380.638,1347 497.83,1348 354,1349 155,1350 348.437,1351 168.56,1352 333.895,1353 508.83,1354 316,1355 7.268} {0 CHEMBL71907,1 1.471,2 13.793,3 2.554,4 6.521,5 115.081,6 6.82,7 0.375,8 4.149,9 4.274,10 3.645,11 3.648,12 5.157,13 3.621,14 4.733,15 4.919,16 3.986,17 4.054,18 5.705,19 4.005,20 4.995,21 5.209,22 4.055,23 4.255,24 5.893,25 4.163,26 5.089,27 5.321,28 3.933,29 4.29,30 5.929,31 4.143,32 5.148,33 5.437,34 3.814,35 4.217,36 5.86,37 4.034,38 5.016,39 5.306,40 3.743,41 4.025,42 5.758,43 3.881,44 4.829,45 5.071,46 3.708,47 3.92,48 5.752,49 3.813,50 4.787,51 5.029,52 3.519,53 3.934,54 5.575,55 3.768,56 0.035,57 0.832,58 13.421,59 5.47,60 9.538,61 7.52,62 0.308,63 1.349,64 25.792,65 8.883,66 33.939,67 12.574,68 0.365,69 1.682,70 33.809,71 12.13,72 39.219,73 17.128,74 0.331,75 1.78,76 37.034,77 14.088,78 42.048,79 20.089,80 0.338,81 1.774,82 40.236,83 14.518,84 39.933,85 21.618,86 0.373,87 1.526,88 35.983,89 11.45,90 41.432,91 17.327,92 0.624,93 1.297,94 29.957,95 9.142,96 53.525,97 13.334,98 0.301,99 1.272,100 27.674,101 10.211,102 31.844,103 14.645,104 14,105 44,106 0.242,107 0.562,108 0.754,109 0.841,110 0.841,111 0.841,112 3.407,113 0.965,114 -3.38,115 -3.36,116 -3.22,119 39.7,121 2,124 1,125 6,127 1,140 7,141 3,142 2,156 1,161 1,162 1,163 1,169 9,172 9,173 1,174 1,176 1,178 11,180 1,181 1,182 8,186 2,189 9,191 2,192 1,193 5,197 2,199 4,201 2,202 1,203 8,208 2,211 1,213 2,215 5,225 2,226 3,228 1,229 1,231 1,233 2,235 1,236 1,237 2,244 2,248 1,249 5,251 1,252 1,256 2,259 1354,260 19.886,261 19.886,262 19.886,263 19.886,264 19.886,265 18.343,266 28.682,267 11.658,268 20.403,269 15.714,270 15.714,271 15.714,272 15.714,273 15.714,274 13.275,275 37.017,276 5.428,277 16.44,278 4.387,279 2.437,280 1.269,281 0.737,282 0.737,283 0.737,284 4.108,288 1,289 1,290 868,291 3.162,295 356.634,299 137.928,302 2.105,303 22.755,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 62.5,315 400,316 4.384,317 3.522,318 6.529,319 4.063,320 3.077,321 4.006,322 1.151,323 10.291,324 3.037,325 4.142,326 3.368,327 6.149,328 3.833,329 2.89,330 3.691,331 0.98,332 9.079,333 2.727,334 3.932,335 3.151,336 5.903,337 3.643,338 2.645,339 3.265,340 0.86,341 8.139,342 2.632,343 3.702,344 2.827,345 5.364,346 3.439,347 2.501,348 2.942,349 0.8,350 7.003,351 2.339,352 3.444,353 2.683,354 5.278,355 3.237,356 2.31,357 2.502,358 0.8,359 6.706,360 2.137,361 3.165,362 2.465,363 5.133,364 2.958,365 1.99,366 2.253,368 6,369 1.916,370 2.883,371 1.979,372 4.345,373 2.534,374 1.571,375 1.971,377 4.131,378 1.507,379 2.695,380 1.793,381 4.185,382 2.437,383 1.495,384 1.714,386 3.811,387 1.4,388 2.586,389 1.739,390 3.783,391 2.179,392 1.182,393 1.559,395 2.832,396 1.163,397 2.5,398 1.188,399 3.446,400 2,401 1.02,402 1.5,404 2.393,405 1,406 2.211,407 1.146,408 3.414,409 1.988,410 1,411 1.176,413 2.275,414 0.98,415 2,416 1.045,417 3.414,418 1.967,419 1,420 1,422 2.275,423 0.965,424 1.713,425 1,426 3.158,427 1.557,428 0.606,429 0.656,431 1.394,432 0.57,433 1.595,434 0.762,435 2.803,436 1.356,437 0.474,438 0.519,440 0.763,441 0.415,442 0.968,443 0.174,444 2.508,445 0.78,446 -0.17,447 -0.182,449 -0.39,450 -0.16,451 13.7,452 0.472,453 0.623,454 0.021,455 33.5,456 1.155,457 14.5,458 0.5,459 19,460 0.655,461 26.549,462 0.915,463 32.5,464 0.56,465 24.322,466 0.839,467 6.719,468 0.232,469 7.417,470 0.256,471 0.09,473 0.314,479 0.85,480 1.408,481 0.865,482 1.202,483 0.712,484 1.053,485 1.24,486 1.042,487 1.003,488 0.934,489 0.602,490 0.924,491 1.118,492 0.993,493 1.08,494 1.015,495 0.802,496 1.032,497 0.804,498 1.201,499 1.141,500 1.258,501 0.804,502 1.256,503 0.526,504 1.061,505 0.876,506 1.066,507 0.574,508 1.032,509 0.932,510 0.964,511 0.875,512 0.897,513 0.845,514 0.876,515 1.356,516 0.844,517 1.144,518 0.857,519 1.195,520 0.947,521 0.891,522 1.19,523 1.181,524 1.236,525 0.906,526 1.259,527 5.5,528 0.116,529 3.556,530 1.25,531 1.351,532 1.014,533 0.548,534 0.241,535 0.233,536 0.234,537 12346,538 30171,539 2.111,540 50,542 23,545 2,547 2,548 2,550 1.712,551 2,552 3.709,553 0.194,554 1,555 1,559 85.33,560 1.471,561 3.421,562 4.589,563 5.121,564 5.121,565 5.121,566 3.195,567 4.444,568 4.827,569 3.888,570 1578.55,571 8.37,572 22413.9,574 1,576 1,577 339.763,578 1.314,579 4.8,580 0.172,581 0.005,582 0.081,583 0.027,584 0.036,585 0.031,586 0.018,587 0.008,588 0.01,589 0.011,590 0.398,591 0.33,592 1,593 0.772,594 150.741,595 -0.024,596 -0.158,597 0.067,598 -0.065,599 -0.039,600 0.003,601 -0.109,602 0.098,603 -0.012,604 0.09,605 0.101,606 0.061,607 -0.13,608 0.082,609 -0.106,610 0.006,611 -0.005,612 -0.036,613 -0.034,614 -0.189,615 -0.199,616 -0.22,617 -0.046,618 -0.235,619 0.094,620 -0.138,621 0.066,622 -0.08,623 0.03,624 -0.023,625 -0.019,626 -0.038,627 0.114,628 0.035,629 -0.025,630 0.087,631 -0.02,632 0.158,633 -0.112,634 0.078,635 -0.029,636 -0.013,637 -0.049,638 -0.212,639 -0.227,640 -0.218,641 -0.117,642 -0.251,643 2.037,644 4.436,645 0.759,646 31.658,647 0.996,648 1.13,649 2.151,650 4.628,651 0.643,652 3.497,653 3.807,654 4.078,655 4.29,656 4.554,657 4.625,658 4.736,659 4.736,660 4.875,661 4.927,662 7.81,663 0.604,664 395.55,665 3.497,666 5.03,667 5.878,668 6.742,669 7.603,670 8.472,671 9.338,672 10.208,673 11.077,674 11.949,675 5.2,678 1,681 1,682 1,688 7,693 5,695 12,701 1,709 1,712 1,714 58,716 13,717 2,718 32,720 61,721 23,722 12,723 5,724 7,725 1,730 4,731 5,740 2,743 3,745 13,746 10,750 1,755 1,759 1,761 1,764 29,765 6,766 2,767 6,773 3,777 0.75,778 3,793 4,797 1,815 1,818 1,819 3,823 1,827 29,828 1,833 8,835 2,837 1,838 2,847 5.2,850 1,851 1,852 1,854 14.5,855 10.4,856 6.444,857 3.522,858 2.198,859 1.281,860 0.98,861 6.383,862 10.023,863 3.689,864 4.205,865 4.714,866 5.18,867 5.687,868 5.826,869 6.041,870 5.975,871 6.151,872 6.221,873 1,874 46,875 10.753,877 4.526,878 7.615,879 21.064,881 17.565,883 2.115,884 61.333,887 1,888 317.82,889 119.668,890 39.146,892 47.145,895 119.668,896 364.964,897 39.146,898 10.883,899 53.087,900 66.334,901 40.849,902 34.805,904 317.82,906 317.82,907 158.814,908 47.145,911 270.735,912 83.229,913 11,915 56.211,916 102.603,919 317.82,920 86.291,921 119.668,924 317.82,925 42.452,926 83.465,928 80.042,929 317.82,930 86.291,931 119.668,933 0.579,934 0.341,935 0.174,936 0.098,937 21,938 9,939 0.098,940 6,941 1,942 1.091,943 4.189,944 247.473,945 0.091,946 22,947 132.881,951 20.205,952 9.161,953 4.744,955 86.291,956 14.049,961 5.127,963 32.897,964 523.779,965 39,970 11.436,974 -0.37,975 57.774,976 65.521,977 0.251,978 0.584,979 0.783,980 0.874,981 0.874,982 0.874,983 4.934,984 1.495,985 5.849,986 4.131,987 4.489,988 4.89,989 2.194,990 6.632,991 4.41,992 6.095,993 1.182,994 7.393,995 3.811,996 4.007,997 4.59,998 0.57,999 7.489,1000 3.896,1001 7.377,1002 1.02,1003 9.034,1004 2.832,1005 6.061,1006 6.949,1007 2.124,1008 10.54,1009 5.916,1010 8.69,1011 1,1012 10.733,1013 2.393,1014 6.399,1015 7.466,1016 0.479,1017 12.216,1018 6.228,1019 10.036,1020 1,1021 12.468,1022 2.275,1023 7.898,1024 9.314,1025 2.171,1026 14.773,1027 7.701,1028 11.403,1029 0.606,1030 14.228,1031 2.275,1032 8.616,1033 10.21,1034 0.346,1035 16.792,1036 8.399,1037 12.787,1038 0.474,1039 16.005,1040 1.394,1041 9.881,1042 11.834,1043 2.281,1044 19.181,1045 9.642,1046 3.077,1047 -0.17,1048 17.796,1049 0.763,1050 10.786,1051 12.929,1052 0.237,1053 21.355,1054 10.532,1055 2.89,1056 10.291,1057 19.597,1058 -0.39,1059 11.949,1060 14.44,1061 2.437,1062 23.686,1063 11.675,1064 2.645,1065 9.079,1066 21.406,1067 4.006,1068 12.949,1069 15.646,1070 0.158,1071 25.933,1072 12.662,1073 2.501,1074 8.139,1075 23.223,1076 3.691,1077 14.069,1078 17.096,1079 2.626,1080 28.247,1081 13.765,1082 2.31,1083 7.003,1084 25.045,1085 3.265,1086 15.117,1087 18.369,1088 0.104,1089 30.528,1090 14.801,1091 1.99,1092 6.706,1093 26.873,1094 2.942,1095 16.221,1096 19.784,1097 2.841,1098 32.839,1099 15.891,1100 1.571,1101 6,1102 28.705,1103 2.502,1104 17.295,1105 21.097,1106 0.068,1107 35.138,1108 16.953,1109 11690,1110 18366,1111 21.671,1112 37.279,1113 47.782,1114 48.586,1115 48.811,1116 47.519,1117 47.526,1118 57.509,1119 9.181,1120 134.183,1121 45.577,1122 5.384,1123 5.522,1124 6.08,1125 5.148,1126 5.077,1127 7.006,1128 2.302,1129 17.149,1130 5.037,1131 13,1132 1.493,1133 1.518,1134 1.525,1135 1.485,1136 1.485,1137 1.797,1138 0.287,1139 4.193,1140 1.424,1141 4.031,1142 4.062,1143 3.97,1144 3.952,1145 7.437,1146 3.952,1147 3.946,1148 3.982,1149 3.883,1150 3.847,1151 4.908,1152 3.851,1153 3.754,1154 3.809,1155 3.648,1156 3.586,1157 4.869,1158 3.592,1159 3.57,1160 3.608,1161 3.481,1162 3.388,1163 4.746,1164 3.4,1165 3.38,1166 3.452,1167 3.228,1168 3.215,1169 4.444,1170 3.202,1171 3.241,1172 3.309,1173 3.099,1174 2.999,1175 4.385,1176 3.017,1177 3.215,1178 3.282,1179 3.048,1180 2.946,1181 4.238,1182 2.96,1183 3.111,1184 3.206,1185 2.866,1186 2.941,1187 3.835,1188 2.91,1189 0.137,1190 0.11,1191 0.204,1192 0.127,1193 0.096,1194 4.384,1195 0.125,1196 3.522,1197 0.036,1198 6.529,1199 0.322,1200 4.063,1201 0.095,1202 3.077,1203 4.006,1204 1.151,1205 10.291,1206 3.037,1207 1.986,1208 1.966,1209 2.096,1210 2.093,1211 1.381,1212 2.095,1213 1.911,1214 1.878,1215 2.037,1216 2.05,1217 1.295,1218 2.05,1219 1.724,1220 1.663,1221 1.91,1222 1.902,1223 1.084,1224 1.907,1225 1.515,1226 1.473,1227 1.727,1228 1.73,1229 0.992,1230 1.722,1231 1.38,1232 1.311,1233 1.657,1234 1.593,1235 0.859,1236 1.617,1237 1.19,1238 1.119,1239 1.564,1240 1.493,1241 0.825,1242 1.518,1243 1.153,1244 1.073,1245 1.513,1246 1.436,1247 0.576,1248 1.429,1249 1.132,1250 1.064,1251 1.361,1252 1.376,1253 0.496,1254 1.425,1255 4.174,1257 5.485,1259 7,1261 8.603,1263 10.25,1265 1.693,1269 5.418,1271 7.66,1273 11.288,1275 0.097,1276 4.934,1280 35.057,1281 85.33,1282 198.412,1283 266.137,1284 297.008,1285 297.008,1286 297.008,1287 45.654,1288 7.825,1289 68.03,1290 68.03,1291 24,1292 12.491,1293 3.807,1294 3,1295 45.121,1296 138,1297 144,1298 0.159,1299 213.701,1300 376.11,1301 513.189,1302 30242,1304 20.217,1305 0.697,1306 0.585,1307 20.217,1308 16.972,1309 14.135,1310 0.442,1311 0.322,1312 10.133,1313 13.528,1314 9.908,1315 8.129,1316 14.135,1317 10.294,1318 12.479,1319 0.284,1320 0.175,1321 12.479,1322 7.703,1323 10.752,1324 0.185,1325 0.103,1326 10.752,1327 5.982,1328 8.562,1329 0.119,1330 0.059,1331 8.562,1332 4.252,1333 7.119,1334 0.076,1335 0.033,1336 7.119,1337 3.101,1338 0.259,1339 88.889,1340 0.215,1341 28.161,1342 0.413,1343 152,1344 411.809,1345 166.159,1346 389.472,1347 531.25,1348 368,1349 178,1350 381.502,1351 192.19,1352 385.858,1353 563.66,1354 363,1355 6.623} {0 CHEMBL72062,1 1.425,2 9.5,3 5.282,4 27.894,5 111.881,6 7.049,7 0.517,8 4.024,9 4.147,10 3.603,11 3.654,12 4.98,13 3.574,14 4.604,15 4.789,16 3.952,17 4.085,18 5.445,19 3.971,20 4.88,21 5.113,22 3.934,23 4.209,24 5.64,25 4.065,26 4.983,27 5.219,28 3.946,29 4.265,30 5.763,31 4.11,32 5.086,33 5.357,34 3.913,35 4.285,36 5.792,37 4.098,38 5.085,39 5.365,40 3.923,41 4.262,42 5.817,43 4.063,44 4.977,45 5.236,46 3.851,47 4.217,48 5.753,49 4.007,50 4.845,51 5.094,52 3.659,53 4.096,54 5.635,55 3.879,56 0.05,57 0.729,58 12.292,59 5.37,60 8.492,61 7.188,62 0.144,63 1.269,64 23.935,65 9.49,66 14.546,67 12.72,68 0.205,69 1.606,70 33.081,71 12.544,72 21.089,73 16.993,74 0.28,75 1.733,76 35.069,77 13.531,78 27.222,79 18.862,80 0.22,81 1.847,82 38.372,83 15.469,84 27.991,85 21.511,86 0.311,87 1.854,88 42.272,89 15.96,90 35.966,91 21.27,92 0.322,93 1.686,94 40.383,95 15.11,96 34.877,97 19.41,98 0.197,99 1.479,100 34.169,101 13.306,102 26.588,103 17.277,104 10,105 40,106 0.238,107 0.588,108 0.81,109 0.892,110 0.892,111 0.892,112 3.305,113 1.087,114 -4.59,115 -4.51,116 -4.25,119 42.3,120 1,121 5,125 2,127 1,140 4,141 4,149 2,150 2,153 1,169 10,172 5,176 3,178 15,182 4,186 2,189 12,193 5,195 1,197 2,199 10,203 6,208 1,211 8,215 3,218 1,220 1,222 12,225 1,226 1,233 15,242 2,244 11,249 2,254 1,256 7,259 996,260 18.24,261 18.24,262 18.24,263 18.24,264 18.24,265 16.416,266 16.007,267 10.869,268 18.599,269 14.239,270 14.239,271 14.239,272 14.239,273 14.239,274 11.401,275 16.426,276 4.981,277 14.823,278 4.275,279 2.182,280 0.851,281 0.361,282 0.361,283 0.361,284 4.005,288 1,289 1,290 541,291 3.391,294 124.293,295 108.939,298 88.227,299 92.911,302 1.462,303 14.275,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 54,315 247,316 4.687,317 3.409,318 6.919,319 4.258,320 3.266,321 4.646,322 0.8,323 11.66,324 3.241,325 3.977,326 3.096,327 6.167,328 3.787,329 2.836,330 3.48,332 9.139,333 2.704,334 3.913,335 2.88,336 5.829,337 3.482,338 2.542,339 3.365,341 7.953,342 2.417,343 3.683,344 2.699,345 5.349,346 3.383,347 2.434,348 2.834,350 6.983,351 2.258,352 3.417,353 2.501,354 5.112,355 2.968,356 1.98,357 2.721,359 5.898,360 1.951,361 2.959,362 1.975,363 4.647,364 2.631,365 1.639,366 2.097,368 4.674,369 1.626,370 2.731,371 1.689,372 4.401,373 2.559,374 1.578,375 1.78,377 4.214,378 1.542,379 2.58,380 1.597,381 3.701,382 2.288,383 1.323,384 1.591,386 2.779,387 1.269,388 2.395,389 1.435,390 3.521,391 1.961,392 0.988,393 1.27,395 2.165,396 0.955,397 2.118,398 1.058,399 3.314,400 1.833,401 0.859,402 1.043,404 1.926,405 0.826,406 2.075,407 0.915,408 3.114,409 1.795,410 0.804,411 0.928,413 1.769,414 0.796,415 2.063,416 0.781,417 3,418 1.465,419 0.618,420 0.927,422 1.372,423 0.507,424 1.943,425 0.618,426 2.836,427 1.416,428 0.353,429 0.537,431 0.638,432 0.368,433 1.4,434 0.376,435 2.692,436 1.235,437 0.257,438 0.299,440 0.448,441 0.252,442 0.878,443 -0.178,444 2.524,445 0.628,446 -0.357,447 -0.406,449 -0.788,450 -0.35,451 12.967,452 0.499,453 0.462,454 0.018,455 29.5,456 1.135,457 13.5,458 0.519,459 16,460 0.615,461 26.532,462 1.02,463 27.833,464 0.535,465 18.172,466 0.699,467 5.272,468 0.203,469 7.525,470 0.289,471 0.064,473 0.301,479 0.732,480 1.165,481 0.816,482 0.955,483 0.503,484 0.964,485 0.954,486 1.061,487 0.949,488 0.943,489 0.609,490 0.964,491 0.861,492 1.055,493 1.037,494 1.026,495 0.455,496 1.002,497 0.814,498 1.104,499 0.937,500 1.044,501 0.69,502 1.096,503 0.681,504 1.036,505 0.756,506 0.925,507 0.641,508 1.01,509 0.922,510 0.889,511 0.922,512 0.91,513 0.933,514 0.914,515 0.997,516 0.937,517 1.218,518 1.083,519 1.081,520 1.019,521 0.874,522 1.112,523 1.255,524 1.233,525 0.941,526 1.188,527 4,528 0.061,529 2.889,530 1.382,531 1.268,532 0.809,533 0.558,534 0.343,535 0.249,536 0.182,537 7841,538 17739,539 2.148,540 50,541 5,542 9,543 2,544 1,545 1,546 2,547 6,550 1.695,551 2.053,552 3.239,553 -0.408,559 74.104,560 1.425,561 3.518,562 4.849,563 5.34,564 5.34,565 5.34,566 2.676,567 4.162,568 4.671,569 3.402,570 1105.62,571 8.119,572 13647.6,577 296.423,578 1.239,579 4.65,580 0.138,581 0.004,582 0.072,583 0.035,584 0.033,585 0.022,586 0.016,587 0.011,588 0.01,589 0.009,590 0.349,591 0.33,592 1,593 0.931,594 125.892,595 0.009,596 -0.039,597 0.079,598 0.046,599 0.05,600 0.043,601 -0.083,602 0.031,603 0.005,604 0.046,605 -0.02,606 0.021,607 -0.055,608 -0.018,609 -0.083,610 -0.057,611 0.048,612 -0.024,613 0.049,614 -0.112,615 -0.094,616 -0.135,617 0.041,618 -0.127,619 0.051,620 -0.108,621 0.043,622 -0.039,623 0.04,624 -0.036,625 0.029,626 0.061,627 0.055,628 0.057,629 -0.005,630 0.063,631 -0.019,632 0.044,633 -0.088,634 -0.015,635 -0.069,636 -0.021,637 -0.078,638 -0.141,639 -0.189,640 -0.183,641 -0.095,642 -0.183,643 1.011,644 4.49,645 0.692,646 22.254,647 0.985,648 1.117,649 3.362,650 11.303,651 0.678,652 3.401,653 3.714,654 4.043,655 4.344,656 4.543,657 4.691,658 4.86,659 5.017,660 5.088,661 5.094,662 5.892,663 0.621,664 366.57,665 3.401,666 4.934,667 5.802,668 6.688,669 7.577,670 8.474,671 9.371,672 10.273,673 11.176,674 12.082,675 3.8,678 1,683 1,687 2,688 6,690 1,692 1,693 4,695 15,696 1,714 52,716 16,717 1,718 29,720 55,721 22,722 12,723 4,724 2,725 1,730 4,731 7,736 1,740 4,743 6,745 13,746 9,750 1,755 1,757 1,764 26,765 2,766 1,767 4,768 1,773 2,777 0.5,778 1,788 1,792 2,793 2,796 1,797 1,815 1,819 2,821 1,823 1,827 26,833 7,837 1,838 1,842 1,847 1.9,850 1,854 12.667,855 9.45,856 5.889,857 3.524,858 2.766,859 1.365,860 1.006,861 5.442,862 10.348,863 3.651,864 4.227,865 4.862,866 5.476,867 5.897,868 6.273,869 6.644,870 7.042,871 7.159,872 7.319,873 1,874 40,875 9.661,877 4.092,878 7.468,879 19.342,881 16.593,883 1.968,884 51.167,888 294.278,889 138.645,890 19.91,892 25.145,894 31.278,895 107.367,896 319.422,897 19.91,898 8.825,899 16.884,900 54.601,901 48.34,902 32.04,903 27.045,904 290.242,906 294.278,907 127.277,908 25.145,909 31.278,911 223.651,912 95.772,915 45.619,916 70.234,917 11.424,918 31.278,919 294.278,920 45.055,921 138.645,924 294.278,925 63.794,926 77.975,927 16.786,928 25.145,929 294.278,930 45.055,931 138.645,933 0.567,934 0.347,935 0.2,936 0.104,937 20,938 8,939 0.127,940 7,941 2,942 1.222,943 3.808,944 225.211,945 0.222,946 18,947 122.211,948 1,951 17.786,952 7.956,953 3.625,954 2.24,955 28.269,956 12.772,958 3.259,960 1.857,961 5.085,963 16.786,964 477.977,965 37.5,970 11.49,972 0.989,975 51.211,976 58.108,977 0.25,978 0.617,979 0.851,980 0.937,981 0.937,982 0.937,983 4.881,984 1.323,985 5.771,986 4.214,987 4.394,988 4.913,989 0.673,990 6.603,991 4.326,992 6.063,993 0.988,994 7.335,995 2.779,996 3.892,997 4.677,998 0.325,999 7.557,1000 3.793,1001 7.363,1002 0.859,1003 9.003,1004 2.165,1005 5.994,1006 7.133,1007 0.379,1008 10.692,1009 5.872,1010 8.706,1011 0.804,1012 10.736,1013 1.926,1014 6.399,1015 7.869,1016 0.268,1017 12.531,1018 6.253,1019 10.09,1020 0.618,1021 12.512,1022 1.769,1023 7.9,1024 9.725,1025 0.239,1026 15.18,1027 7.742,1028 11.503,1029 0.353,1030 14.317,1031 1.372,1032 8.715,1033 10.902,1034 0.188,1035 17.377,1036 8.546,1037 12.939,1038 0.257,1039 16.145,1040 0.638,1041 9.99,1042 12.543,1043 0.156,1044 19.881,1045 9.816,1046 3.266,1047 -0.357,1048 17.989,1049 0.448,1050 10.994,1051 13.922,1052 0.125,1053 22.226,1054 10.818,1055 2.836,1056 11.66,1057 19.847,1058 -0.788,1059 12.188,1060 15.488,1061 0.102,1062 24.686,1063 12.009,1064 2.542,1065 9.139,1066 21.715,1067 4.646,1068 13.279,1069 16.955,1070 0.082,1071 27.093,1072 13.1,1073 2.434,1074 7.953,1075 23.593,1076 3.48,1077 14.448,1078 18.498,1079 0.066,1080 29.543,1081 14.268,1082 1.98,1083 6.983,1084 25.479,1085 3.365,1086 15.579,1087 20.003,1088 0.054,1089 31.976,1090 15.401,1091 1.639,1092 5.898,1093 27.371,1094 2.834,1095 16.744,1096 21.538,1097 0.043,1098 34.426,1099 16.564,1100 1.578,1101 4.674,1102 29.268,1103 2.721,1104 17.896,1105 23.06,1106 0.035,1107 36.87,1108 17.716,1109 7438,1110 11300,1111 19.879,1112 35.25,1113 43.672,1114 44.611,1115 44.097,1116 42.992,1117 42.952,1118 55.038,1119 1.6,1120 123.235,1121 41.426,1122 5.633,1123 5.409,1124 6.685,1125 5.328,1126 5.266,1127 7.646,1128 1.2,1129 18.941,1130 5.241,1131 9.387,1132 1.506,1133 1.538,1134 1.521,1135 1.482,1136 1.481,1137 1.898,1138 0.055,1139 4.249,1140 1.428,1141 4.166,1142 4.196,1143 4.22,1144 4.094,1145 7.452,1146 4.098,1147 3.898,1148 3.93,1149 4.121,1150 3.921,1151 4.934,1152 3.839,1153 3.771,1154 3.814,1155 3.696,1156 3.645,1157 4.671,1158 3.643,1159 3.593,1160 3.659,1161 3.462,1162 3.453,1163 4.37,1164 3.442,1165 3.385,1166 3.45,1167 3.239,1168 3.249,1169 4.203,1170 3.236,1171 3.283,1172 3.337,1173 3.136,1174 3.139,1175 3.971,1176 3.121,1177 3.085,1178 3.143,1179 2.958,1180 2.893,1181 3.812,1182 2.88,1183 3.034,1184 3.116,1185 2.845,1186 2.816,1187 3.565,1188 2.832,1189 0.162,1190 0.118,1191 0.239,1192 0.147,1193 0.113,1194 4.687,1195 0.16,1196 3.409,1197 0.028,1198 6.919,1199 0.402,1200 4.258,1201 0.112,1202 3.266,1203 4.646,1204 0.8,1205 11.66,1206 3.241,1207 2.032,1208 2.008,1209 2.139,1210 2.115,1211 1.478,1212 2.125,1213 1.745,1214 1.691,1215 1.948,1216 1.917,1217 1.23,1218 1.93,1219 1.576,1220 1.532,1221 1.812,1222 1.767,1223 1.083,1224 1.766,1225 1.556,1226 1.515,1227 1.742,1228 1.717,1229 0.997,1230 1.749,1231 1.525,1232 1.464,1233 1.678,1234 1.67,1235 0.785,1236 1.685,1237 1.416,1238 1.39,1239 1.586,1240 1.52,1241 0.68,1242 1.563,1243 1.19,1244 1.128,1245 1.449,1246 1.369,1247 0.657,1248 1.411,1249 1.043,1250 0.982,1251 1.326,1252 1.242,1253 0.532,1254 1.279,1255 4.078,1257 5.389,1258 3.045,1259 6.903,1260 5.283,1261 8.518,1262 7.286,1263 10.193,1265 2.268,1271 7.96,1275 0.572,1276 2.675,1280 32.266,1281 74.104,1282 182.958,1283 252.158,1284 277.668,1285 277.668,1286 277.668,1287 36.731,1288 7.581,1289 36.1,1290 64.34,1291 22,1292 12.601,1293 4.087,1294 3.248,1295 37.872,1296 91,1297 88,1298 0.203,1299 200.452,1300 337.84,1301 480.864,1302 19612,1304 17.933,1305 0.69,1306 0.621,1307 18.286,1308 16.149,1309 12.796,1310 0.441,1311 0.362,1312 9.646,1313 12.041,1314 9.315,1315 7.705,1316 13.25,1317 10.512,1318 10.934,1319 0.273,1320 0.207,1321 11.544,1322 8.282,1323 9.759,1324 0.174,1325 0.118,1326 10.394,1327 6.584,1328 8.434,1329 0.111,1330 0.067,1331 8.998,1332 5.071,1333 6.516,1334 0.07,1335 0.038,1336 6.787,1337 3.489,1338 0.313,1339 83.056,1340 0.224,1341 24.837,1342 0.576,1343 138,1344 310.574,1345 165.857,1346 327.368,1347 455.49,1348 310,1349 165,1350 319.564,1351 187.861,1352 341.986,1353 501.55,1354 324,1355 8.699} {0 CHEMBL72107,1 1.187,2 7.211,3 4.255,4 18.107,5 83.112,6 5.743,7 0.3,8 3.835,9 3.986,10 3.179,11 3.368,12 4.72,13 3.282,14 4.427,15 4.673,16 3.559,17 3.781,18 5.189,19 3.678,20 4.616,21 4.822,22 3.573,23 3.995,24 5.447,25 3.845,26 4.884,27 5.171,28 3.475,29 4.05,30 5.554,31 3.837,32 4.844,33 5.156,34 3.476,35 3.947,36 5.498,37 3.745,38 4.678,39 4.942,40 3.263,41 3.86,42 5.43,43 3.659,44 4.79,45 5.131,46 2.731,47 3.728,48 5.304,49 3.398,50 4.518,51 4.934,52 2.555,53 3.201,54 4.927,55 2.885,56 0.057,57 0.628,58 11.226,59 4.488,60 8.077,61 6.686,62 0.157,63 1.018,64 19.43,65 7.242,66 13.665,67 10.976,68 0.137,69 1.247,70 23.631,71 9.523,72 20.369,73 14.096,74 0.152,75 1.411,76 28.715,77 11.804,78 22.95,79 17.361,80 0.152,81 1.316,82 27.199,83 10.664,84 23.845,85 15.989,86 0.182,87 1.203,88 24.289,89 8.738,90 22.737,91 13.494,92 0.125,93 1.115,94 24.517,95 10.221,96 18.947,97 14.958,98 0.12,99 0.751,100 17.756,101 6.324,102 15.727,103 9.847,104 38,105 30,106 0.21,107 0.466,108 0.707,109 0.707,110 0.707,111 0.707,112 3.011,113 1.071,114 -5.08,115 -4.98,116 -4.66,119 37.8,120 5,121 1,123 1,124 1,125 2,140 2,141 4,156 1,169 13,171 1,172 2,178 20,182 2,189 19,193 4,199 13,203 8,211 10,215 2,222 3,226 2,237 6,259 397,260 11.834,261 11.834,262 11.834,263 11.834,264 11.834,265 10.783,266 18.005,267 6.644,268 12.009,269 9.83,270 9.83,271 9.83,272 9.83,273 9.83,274 8.207,275 22.152,276 3.132,277 10.106,278 4.304,279 2.862,280 1.501,281 1.501,282 1.501,283 1.501,284 3.652,288 1,289 1,290 279,291 3.162,294 55.552,295 63.629,302 1.38,303 7.981,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 39,315 137,316 4.541,317 3.575,318 7.128,319 4.346,320 3.346,321 4.144,322 1.545,323 11.757,324 3.345,325 4.202,326 3.413,327 6.422,328 3.955,329 2.974,330 3.446,331 0.63,332 9.8,333 2.932,334 3.968,335 3.029,336 5.989,337 3.65,338 2.71,339 3.214,340 0.357,341 8.407,342 2.532,343 3.232,344 2.147,345 4.879,346 2.879,347 1.879,348 2.481,350 5.225,351 1.879,352 2.933,353 1.935,354 4.686,355 2.633,356 1.64,357 2.041,359 4.937,360 1.628,361 2.556,362 1.64,363 4.132,364 2.246,365 1.294,366 1.495,368 3.533,369 1.231,370 2.152,371 1.405,372 3.461,373 2.045,374 1.115,375 1.139,377 2.415,378 1.035,379 1.636,380 0.936,381 3.329,382 1.431,383 0.448,384 0.502,386 1.182,387 0.44,388 1,389 -0.032,390 2.731,391 0.653,392 -0.347,393 -0.445,395 -0.898,396 -0.347,397 0.711,398 -0.11,399 2.653,400 0.509,401 -0.45,402 -0.478,404 -1.058,405 -0.429,406 0.2,407 -0.534,408 2.161,410 -1,411 -1,413 -2.493,414 -0.939,415 0.123,416 -0.665,417 2,419 -1,420 -1,422 -2.943,423 -1,425 -1,426 2,428 -1,429 -1.084,431 -3,432 -1,434 -1,435 1.58,436 -0.062,437 -1,438 -1.164,440 -3,441 -1,442 -0.232,443 -1.088,444 1.502,445 -0.532,446 -1.532,447 -1.642,449 -4.06,450 -1.46,451 9.3,452 0.489,453 0.799,454 0.042,455 18.75,456 0.987,457 7.5,458 0.395,459 11.25,460 0.592,461 20.884,462 1.099,463 21.9,464 0.487,465 10.976,466 0.578,467 3.365,468 0.177,469 5.422,470 0.285,471 0.323,472 0.054,473 0.312,479 0.96,480 1.49,481 1.092,482 1.295,483 1.324,484 1.218,485 1.268,486 0.81,487 0.834,488 0.744,489 0.734,490 0.759,491 1.332,492 1.304,493 1.384,494 1.358,495 1.427,496 1.371,497 0.719,498 1.107,499 1.054,500 1.138,501 1.017,502 1.12,503 0.597,504 1.01,505 0.792,506 0.925,507 0.553,508 0.88,509 1.895,510 1.175,511 1.456,512 1.25,513 1.772,514 1.313,515 0.441,516 1.053,517 0.998,518 1.124,519 0.868,520 1.1,521 0.429,522 0.537,523 0.314,524 0.393,525 0.233,526 0.355,527 6,529 3.111,530 1.694,531 1.519,532 0.757,533 0.323,534 0.23,535 0.191,536 0.074,537 2799,538 4581,539 1.894,540 57.8,541 15,542 9,546 2,550 1.605,551 1.689,552 2.835,553 -0.879,555 1,559 53.435,560 1.187,561 2.63,562 3.991,563 3.991,564 3.991,565 3.991,566 2.215,567 3.511,568 4.221,569 3.029,570 517.949,571 7.198,572 5053.11,574 1,576 1,577 247.133,578 1.799,579 4.109,580 0.3,582 0.104,583 0.061,584 0.063,585 0.03,586 0.018,587 0.029,588 0.021,589 0.008,590 0.634,591 0.83,592 1,593 0.972,594 81.389,595 0.122,596 -0.194,597 0.054,598 -0.07,599 -0.209,600 -0.022,601 0.144,602 0.336,603 0.249,604 0.307,605 0.27,606 0.289,607 -0.259,608 -0.115,609 -0.301,610 -0.225,611 -0.279,612 -0.258,613 -0.013,614 -0.122,615 -0.085,616 -0.115,617 -0.088,618 -0.106,619 0.186,620 -0.076,621 0.16,622 0.049,623 0.315,624 0.094,625 -0.417,626 -0.077,627 -0.403,628 -0.254,629 -0.478,630 -0.315,631 0.039,632 -0.211,633 -0.11,634 -0.183,635 -0.115,636 -0.16,637 0.391,638 0.167,639 0.528,640 0.391,641 0.53,642 0.454,643 1.032,644 1.608,645 0.579,646 12.521,647 0.973,648 1.133,649 3.851,650 14.828,651 0.626,652 3.045,653 3.434,654 3.611,655 3.784,656 3.932,657 3.932,658 3.912,659 3.807,660 3.807,661 3.497,662 4.68,663 0.564,664 258.45,665 3.045,666 4.615,667 5.451,668 6.347,669 7.209,670 8.1,671 8.97,672 9.859,673 10.734,674 11.621,675 4.4,678 1,684 1,688 2,693 4,695 6,714 45,716 7,717 1,718 20,720 46,721 17,722 6,723 4,724 2,730 2,731 2,736 5,737 1,743 1,745 7,746 10,750 1,758 1,759 1,761 1,764 26,765 2,767 2,773 2,774 1,777 1,792 1,793 1,815 1,819 2,823 6,827 19,833 3,838 1,839 1,854 11.25,855 10.067,856 4,857 2.771,858 1.464,859 1.239,860 0.917,861 3.823,862 7.586,863 3.219,864 3.818,865 4.28,866 4.737,867 5.186,868 5.341,869 5.475,870 5.475,871 5.614,872 5.448,873 0.8,874 28,875 7.046,877 2.823,878 7.346,879 14.158,881 11.552,883 1.846,884 35.083,885 0.003,888 306.049,889 93.291,890 19.91,895 93.291,896 306.049,897 19.91,898 52.522,899 6.746,900 18.952,901 2.328,902 32.652,904 306.049,906 306.049,907 113.201,911 306.049,915 70.782,916 42.419,919 306.049,920 19.91,921 93.291,924 306.049,925 21.816,926 74.599,928 16.786,929 306.049,930 19.91,931 93.291,933 0.611,934 0.34,935 0.16,936 0.086,937 15,938 8,939 0.065,940 3,942 1,943 2.953,944 136.991,946 11,947 66.711,951 14.27,952 5.09,953 3.062,955 19.91,956 4.69,961 5.661,964 419.25,965 24,973 4.608,974 1.231,975 43.807,976 50.979,977 0.216,978 0.479,979 0.727,980 0.727,981 0.727,982 0.727,983 4.516,984 0.448,985 5.533,986 2.415,987 4.111,988 4.5,989 1.807,990 6.415,991 4.066,992 5.772,993 -0.347,994 7.163,995 1.182,996 4.111,997 4.575,998 1.048,999 7.687,1000 4.064,1001 7.125,1002 -0.45,1003 8.903,1004 -0.898,1005 5.855,1006 6.674,1007 2.207,1008 10.662,1009 5.783,1010 8.509,1011 -1,1012 10.705,1013 -1.058,1014 6.581,1015 7.452,1016 2.022,1017 12.661,1018 6.512,1019 9.921,1020 -1,1021 12.545,1022 -2.493,1023 7.93,1024 9.146,1025 2.848,1026 15.259,1027 7.848,1028 11.349,1029 -1,1030 14.409,1031 -2.943,1032 8.929,1033 10.231,1034 2.957,1035 17.524,1036 8.852,1037 12.791,1038 -1,1039 16.291,1040 -3,1041 10.155,1042 11.767,1043 3.603,1044 20.01,1045 10.074,1046 3.346,1047 -1.532,1048 18.187,1049 -3,1050 11.259,1051 13.004,1052 3.865,1053 22.381,1054 11.184,1055 2.974,1056 11.757,1057 20.092,1058 -4.06,1059 12.448,1060 14.472,1061 4.415,1062 24.835,1063 12.373,1064 2.71,1065 9.8,1066 22.005,1067 4.144,1068 13.597,1069 15.788,1070 4.757,1071 27.252,1072 13.527,1073 1.879,1074 8.407,1075 23.925,1076 3.446,1077 14.778,1078 17.227,1079 5.255,1080 29.7,1081 14.711,1082 1.64,1083 5.225,1084 25.85,1085 3.214,1086 15.946,1087 18.587,1088 5.64,1089 32.137,1090 15.885,1091 1.294,1092 4.937,1093 27.78,1094 2.481,1095 17.129,1096 20.012,1097 6.11,1098 34.588,1099 17.072,1100 1.115,1101 3.533,1102 29.714,1103 2.041,1104 18.309,1105 21.398,1106 6.518,1107 37.036,1108 18.256,1109 2929,1110 3821,1111 12.137,1112 28.148,1113 31.236,1114 31.441,1115 32.053,1116 30.773,1117 30.811,1118 36.924,1119 5.066,1120 94.512,1121 30.043,1122 5.441,1123 5.575,1124 6.645,1125 5.356,1126 5.346,1127 7.144,1128 2.69,1129 18.825,1130 5.345,1131 12.388,1132 1.562,1133 1.572,1134 1.603,1135 1.539,1136 1.541,1137 1.846,1138 0.253,1139 4.726,1140 1.502,1141 4.029,1142 4.062,1143 3.968,1144 3.975,1145 4.773,1146 3.969,1147 3.807,1148 3.875,1149 3.719,1150 3.625,1151 4.633,1152 3.638,1153 3.611,1154 3.674,1155 3.466,1156 3.49,1157 4.238,1158 3.479,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 3.966,1164 3.101,1165 3.096,1166 3.204,1167 2.896,1168 2.942,1169 3.844,1170 2.919,1171 3.064,1172 3.154,1173 2.806,1174 2.833,1175 3.633,1176 2.808,1177 2.933,1178 3.037,1179 2.661,1180 2.741,1181 3.493,1182 2.707,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.227,1190 0.179,1191 0.356,1192 0.217,1193 0.167,1194 4.541,1195 0.207,1196 3.575,1197 0.077,1198 7.128,1199 0.588,1200 4.346,1201 0.167,1202 3.346,1203 4.144,1204 1.545,1205 11.757,1206 3.345,1207 2.004,1208 1.98,1209 2.122,1210 2.075,1211 1.35,1212 2.092,1213 1.674,1214 1.619,1215 1.907,1216 1.831,1217 1.121,1218 1.858,1219 1.504,1220 1.42,1221 1.778,1222 1.746,1223 1.04,1224 1.764,1225 1.42,1226 1.349,1227 1.65,1228 1.641,1229 0.798,1230 1.649,1231 1.303,1232 1.226,1233 1.639,1234 1.507,1235 0.719,1236 1.557,1237 1.033,1238 0.938,1239 1.431,1240 1.279,1241 0.575,1242 1.338,1243 0.974,1244 0.87,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.417,1252 1.239,1253 0.469,1254 1.308,1255 3.714,1257 5.081,1258 2.398,1259 6.619,1260 4.595,1261 8.235,1262 6.529,1263 9.893,1265 13.418,1271 2.982,1276 2.274,1277 0.218,1280 25.364,1281 53.435,1282 118.339,1283 179.585,1284 179.585,1285 179.585,1286 179.585,1287 27.704,1288 6.122,1289 15.6,1290 15.6,1291 11,1292 12.154,1293 3,1294 2.322,1295 33.589,1296 53,1297 41,1298 0.326,1299 160.932,1300 278.48,1301 384.435,1302 2755,1304 14.207,1305 0.748,1306 0.693,1307 14.207,1308 13.17,1309 8.787,1310 0.439,1311 0.357,1312 7.088,1313 8.611,1314 6.554,1315 5.605,1316 8.787,1317 7.139,1318 9.057,1319 0.302,1320 0.224,1321 9.057,1322 6.735,1323 6.613,1324 0.184,1325 0.113,1326 6.613,1327 4.067,1328 4.998,1329 0.116,1330 0.061,1331 4.998,1332 2.633,1333 3.775,1334 0.076,1335 0.036,1336 3.775,1337 1.817,1338 0.492,1339 53.834,1340 0.287,1341 18.693,1342 0.95,1343 100,1344 189.29,1345 103.858,1346 193.538,1347 272.41,1348 182,1349 116,1350 205.577,1351 120.357,1352 218.817,1353 312.83,1354 201,1355 7.066} {0 CHEMBL72158,1 1.107,2 6.067,3 3.63,4 13.176,5 68.034,6 5.405,7 0.4,8 3.641,9 3.801,10 2.898,11 3.182,12 4.553,13 3.077,14 4.201,15 4.446,16 3.249,17 3.583,18 4.952,19 3.451,20 4.434,21 4.649,22 3.334,23 3.811,24 5.255,25 3.643,26 4.705,27 5,28 3.244,29 3.863,30 5.372,31 3.636,32 4.638,33 4.936,34 3.089,35 3.744,36 5.342,37 3.502,38 4.565,39 4.889,40 2.482,41 3.518,42 5.249,43 3.199,44 4.444,45 4.87,46 1.982,47 3.091,48 4.756,49 2.682,50 3.596,51 3.945,52 1.801,53 2.481,54 4.263,55 2.197,56 0.047,57 0.501,58 9.379,59 3.976,60 8.06,61 5.778,62 0.073,63 0.784,64 15.114,65 6.544,66 10.975,67 9.437,68 0.089,69 1.006,70 19.41,71 8.52,72 17.139,73 12.229,74 0.107,75 1.148,76 23.093,77 10.03,78 19.609,79 14.456,80 0.11,81 1.061,82 21.531,83 8.929,84 22.669,85 13.096,86 0.122,87 0.921,88 19.323,89 7.464,90 24.444,91 11.229,92 0.077,93 0.649,94 14.498,95 6.015,96 12.088,97 8.814,98 0.045,99 0.331,100 7.014,101 2.536,102 9.341,103 3.927,104 42,105 22,106 0.207,107 0.481,108 0.671,109 0.671,110 0.671,111 0.671,112 2.795,113 1.133,114 -4.88,115 -4.79,116 -4.5,119 36.8,120 5,121 1,123 1,125 1,140 2,141 4,161 1,162 1,163 1,169 13,176 1,178 20,180 1,186 1,189 19,191 1,197 2,199 13,201 2,208 4,211 10,213 4,220 1,222 3,224 1,231 1,235 1,242 3,246 3,259 161,260 9.187,261 9.187,262 9.187,263 9.187,264 9.187,265 8.397,266 11.166,267 5.289,268 9.206,269 7.335,270 7.335,271 7.335,272 7.335,273 7.335,274 6.114,275 11.639,276 2.394,277 7.364,278 4.141,279 2.67,280 1.652,281 1.652,282 1.652,283 1.652,284 3.397,288 1,289 1,290 173,291 3.162,295 51.057,302 1.28,303 6.732,306 1,307 1,308 1,309 0.9,310 1,311 1,312 1,313 0.99,314 30.5,315 91,316 4.535,317 3.567,318 7.128,319 4.345,320 3.345,321 4.137,323 11.756,324 3.344,325 4.149,326 3.125,327 6.378,328 3.898,329 2.898,330 3.402,332 9.593,333 2.897,334 3.232,335 2.147,336 4.879,337 2.879,338 1.879,339 2.481,341 5.225,342 1.879,343 2.956,344 1.825,345 4.684,346 2.669,347 1.673,348 2.066,350 4.933,351 1.666,352 2.283,353 1.379,354 3.613,355 2.175,356 1.198,357 1.272,359 2.403,360 1.168,361 1.402,362 0.74,363 2.892,364 1.253,365 0.28,366 0.3,368 0.508,369 0.272,370 1,371 -0.11,372 2.653,373 0.653,374 -0.347,375 -0.445,377 -0.898,378 -0.347,379 0.353,380 -0.498,381 2.251,382 0.163,383 -0.8,384 -0.867,386 -1.385,387 -0.77,388 0.161,389 -0.689,390 2,392 -1,393 -1,395 -2.718,396 -1,398 -1,399 2,401 -1,402 -1,404 -3,405 -1,407 -1,408 1.603,410 -1,411 -1.147,413 -3,414 -1,415 -0.232,416 -1.357,417 1.468,418 -0.532,419 -1.532,420 -1.859,422 -4.493,423 -1.532,424 -0.5,425 -1.383,426 1.209,427 -0.726,428 -1.72,429 -2.036,431 -5.035,432 -1.71,433 -0.619,434 -1.626,435 1,436 -0.876,437 -1.873,438 -2.305,440 -6.834,441 -1.868,442 -0.72,443 -2,444 0.241,445 -1,446 -2,447 -3,449 -7.054,450 -2,451 7.4,452 0.493,453 0.642,454 0.043,455 13.75,456 0.917,457 6,458 0.4,459 7.75,460 0.517,461 16.165,462 1.078,463 17.8,464 0.468,465 7.277,466 0.485,467 2.334,468 0.156,469 4.524,470 0.302,471 0.392,472 0.068,473 0.27,479 1.396,480 1.22,481 1.243,482 1.213,483 1.647,484 1.22,485 0.85,486 0.845,487 0.857,488 0.853,489 0.681,490 0.855,491 0.975,492 1.311,493 1.318,494 1.36,495 1.033,496 1.356,497 0.601,498 1.088,499 1.018,500 1.103,501 0.678,502 1.084,503 0.775,504 1.239,505 1.094,506 1.199,507 0.66,508 1.167,509 1.64,510 1.187,511 1.339,512 1.234,513 1.76,514 1.266,515 0.267,516 0.449,517 0.406,518 0.443,519 0.264,520 0.433,521 0.977,522 1.199,523 0.892,524 1.013,525 0.749,526 0.96,527 5,529 2.444,530 1.5,531 1.324,532 0.444,533 0.162,534 0.094,537 1213,538 1968,539 1.769,540 60.5,541 15,542 4,545 2,547 2,550 1.536,551 1.565,552 2.59,553 0.301,557 1,559 42.076,560 1.107,561 2.578,562 3.595,563 3.595,564 3.595,565 3.595,566 2.2,567 2.823,568 3.875,569 2.729,570 286.499,571 6.52,572 2334.3,573 1,574 1,577 199.421,578 1.806,579 3.74,580 0.333,582 0.111,583 0.068,584 0.07,585 0.03,586 0.032,587 0.023,590 0.668,591 0.83,592 1,593 1.437,594 57.656,595 -0.13,596 0.108,597 -0.016,598 0.053,599 -0.347,600 0.029,601 0.052,602 0.285,603 0.225,604 0.274,605 0.149,606 0.26,607 -0.161,608 -0.136,609 -0.211,610 -0.185,611 -0.169,612 -0.198,613 0.028,614 -0.101,615 -0.044,616 -0.078,617 -0.02,618 -0.067,619 0.046,620 -0.257,621 -0.117,622 -0.199,623 0.167,624 -0.171,625 -0.32,626 -0.235,627 -0.376,628 -0.322,629 -0.394,630 -0.346,631 0.272,632 0.235,633 0.358,634 0.316,635 0.227,636 0.337,637 0.25,638 -0.329,639 0.022,640 -0.16,641 0.428,642 -0.093,643 1.017,644 1.622,645 0.4,646 8.782,647 0.969,648 1.133,649 3.653,650 13.346,651 0.615,652 2.773,653 3.135,654 3.258,655 3.401,656 3.555,657 3.401,658 3.296,659 2.398,660 1.099,662 3.84,663 0.548,664 205.38,665 2.773,666 4.317,667 5.13,668 6.023,669 6.87,670 7.759,671 8.619,672 9.504,673 10.37,674 11.252,675 2.6,676 1,688 2,693 4,695 6,714 38,716 6,717 1,718 15,720 38,721 14,722 6,723 4,724 2,730 1,731 1,736 6,737 1,743 1,745 6,746 8,761 1,764 23,765 1,766 2,767 1,773 1,777 1,793 1,812 1,819 1,823 5,827 15,828 1,833 2,839 1,854 9.583,855 8.25,856 3.306,857 2.313,858 1.228,859 1.23,860 0.895,861 3.561,862 6.565,863 2.944,864 3.541,865 4.012,866 4.49,867 4.955,868 5.019,869 4.973,870 3.944,871 2.784,873 1,874 22,875 5.548,876 -0.001,877 2.145,878 7.428,879 11.076,881 8.784,882 -0.001,883 1.928,884 28.917,885 0.009,888 247.193,889 80.461,890 32.897,895 80.461,896 247.193,897 32.897,898 44.126,899 37.537,900 18.952,902 12.742,904 247.193,906 247.193,907 113.358,911 223.651,912 23.542,915 81.663,916 31.695,919 247.193,920 32.897,921 80.461,924 247.193,925 17.383,926 63.079,928 32.897,929 247.193,930 32.897,931 80.461,933 0.596,934 0.328,935 0.162,936 0.095,937 10,938 6,939 0.079,940 3,942 1,943 2.48,944 92.176,946 6,947 47.848,951 12.252,952 4.36,953 2.819,955 32.897,956 4.607,961 5.597,963 32.897,964 360.551,965 18,975 36.821,976 43.066,977 0.211,978 0.491,979 0.685,980 0.685,981 0.685,982 0.685,983 4.212,984 -0.8,985 5.231,986 -0.898,987 3.807,988 4.22,990 6.129,991 3.802,992 5.482,993 -1,994 6.876,995 -1.385,996 3.892,997 4.369,999 7.506,1000 3.892,1001 6.844,1002 -1,1003 8.639,1004 -2.718,1005 5.58,1006 6.445,1008 10.459,1009 5.577,1010 8.242,1011 -1,1012 10.465,1013 -3,1014 6.365,1015 7.268,1017 12.523,1018 6.365,1019 9.665,1020 -1.532,1021 12.328,1022 -3,1023 7.701,1024 8.971,1026 15.125,1027 7.7,1028 11.107,1029 -1.72,1030 14.215,1031 -4.493,1032 8.74,1033 10.085,1035 17.426,1036 8.739,1037 12.561,1038 -1.873,1039 16.117,1040 -5.035,1041 9.97,1042 11.638,1044 19.922,1045 9.969,1046 3.345,1047 -2,1048 18.031,1049 -6.834,1050 11.1,1051 12.893,1053 22.313,1054 11.1,1055 2.898,1056 11.756,1057 19.953,1058 -7.054,1059 12.299,1060 14.375,1062 24.776,1063 12.298,1064 1.879,1065 9.593,1066 21.882,1067 4.137,1068 13.465,1069 15.704,1071 27.204,1072 13.465,1073 1.673,1074 5.225,1075 23.815,1076 3.402,1077 14.657,1078 17.152,1080 29.659,1081 14.656,1082 1.198,1083 4.933,1084 25.753,1085 2.481,1086 15.838,1087 18.521,1089 32.103,1090 15.838,1091 0.28,1092 2.403,1093 27.694,1094 2.066,1095 17.03,1096 19.953,1098 34.558,1099 17.029,1100 -0.347,1101 0.508,1102 29.637,1103 1.272,1104 18.22,1105 21.343,1107 37.011,1108 18.219,1109 1411,1110 1828,1111 8.553,1112 23.381,1113 22.715,1114 23.07,1115 24.03,1116 22.516,1117 22.544,1118 27.317,1120 68.834,1121 22.455,1122 5.255,1123 5.567,1124 6.886,1125 5.345,1126 5.345,1127 7.137,1129 18.81,1130 5.344,1131 10.363,1132 1.514,1133 1.538,1134 1.602,1135 1.501,1136 1.503,1137 1.821,1139 4.589,1140 1.497,1141 4.016,1142 4.045,1143 3.953,1144 3.97,1145 5.011,1146 3.963,1147 3.655,1148 3.719,1149 3.51,1150 3.546,1151 4.709,1152 3.53,1153 3.425,1154 3.52,1155 3.232,1156 3.225,1157 4.242,1158 3.213,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 3.966,1164 3.101,1165 2.94,1166 3.038,1167 2.706,1168 2.764,1169 3.65,1170 2.736,1171 2.874,1172 3.009,1173 2.499,1174 2.618,1175 3.509,1176 2.57,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.756,1184 2.892,1185 2.463,1186 2.448,1187 3.467,1188 2.435,1189 0.302,1190 0.238,1191 0.475,1192 0.29,1193 0.223,1194 4.535,1195 0.276,1196 3.567,1198 7.128,1199 0.784,1200 4.345,1201 0.223,1202 3.345,1203 4.137,1205 11.756,1206 3.344,1207 2.005,1208 1.981,1209 2.127,1210 2.077,1211 1.359,1212 2.096,1213 1.676,1214 1.62,1215 1.92,1216 1.836,1217 1.145,1218 1.868,1219 1.416,1220 1.329,1221 1.716,1222 1.664,1223 0.869,1224 1.688,1225 1.303,1226 1.226,1227 1.639,1228 1.507,1229 0.719,1230 1.557,1231 0.979,1232 0.886,1233 1.417,1234 1.239,1235 0.469,1236 1.308,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.355,1246 1.214,1247 0.433,1248 1.269,1249 0.735,1250 0.605,1251 1.149,1252 1.095,1253 0.175,1254 1.127,1255 3.434,1257 4.779,1259 6.315,1261 7.943,1263 9.617,1265 11.137,1269 5.622,1271 1.721,1277 0.233,1280 20.816,1281 42.076,1282 97.956,1283 136.627,1284 136.627,1285 136.627,1286 136.627,1287 25.364,1288 5.338,1289 26.02,1290 26.02,1291 6,1292 11.789,1293 2.807,1294 2,1295 30.962,1296 37,1297 34,1298 0.494,1299 135.682,1300 230.58,1301 322.824,1302 874,1304 11.638,1305 0.776,1306 0.71,1307 11.638,1308 10.646,1309 6.858,1310 0.457,1311 0.378,1312 5.653,1313 6.811,1314 5.197,1315 4.506,1316 6.858,1317 5.667,1318 6.941,1319 0.316,1320 0.244,1321 6.941,1322 5.377,1323 4.621,1324 0.185,1325 0.118,1326 4.621,1327 2.956,1328 3.514,1329 0.121,1330 0.068,1331 3.514,1332 1.965,1333 2.814,1334 0.083,1335 0.04,1336 2.814,1337 1.376,1338 0.721,1339 41.504,1340 0.342,1341 14.832,1342 1.507,1343 74,1344 121.312,1345 74.694,1346 129.323,1347 180.1,1348 120,1349 84,1350 134.423,1351 84.5,1352 146.66,1353 206.66,1354 134,1355 5.866} {0 CHEMBL72167,1 1.437,2 6.333,3 2.052,4 4.209,5 60.846,6 6.59,7 0.375,8 3.511,9 3.645,10 2.965,11 3.03,12 4.552,13 2.987,14 4.039,15 4.248,16 3.293,17 3.403,18 4.984,19 3.332,20 4.204,21 4.417,22 3.263,23 3.486,24 5.209,25 3.386,26 4.272,27 4.491,28 3.07,29 3.439,30 5.253,31 3.294,32 4.282,33 4.589,34 2.909,35 3.284,36 5.077,37 3.107,38 3.993,39 4.283,40 2.769,41 3.057,42 4.905,43 2.908,44 3.838,45 4.127,46 2.344,47 2.832,48 4.623,49 2.627,50 3.59,51 3.94,52 1.557,53 2.327,54 4.333,55 2.076,56 0.041,57 0.444,58 7.295,59 2.879,60 6.489,61 4.091,62 0.106,63 0.7,64 12.753,65 4.682,66 10.176,67 6.874,68 0.122,69 0.773,70 15.207,71 5.398,72 18.484,73 7.908,74 0.168,75 0.751,76 16.533,77 5.987,78 29.16,79 8.477,80 0.161,81 0.714,82 16.836,83 5.474,84 24.617,85 8.471,86 0.231,87 0.563,88 12.685,89 3.792,90 23.825,91 6.063,92 0.087,93 0.444,94 10.665,95 3.626,96 12.498,97 5.468,98 0.16,99 0.294,100 8.723,101 2.255,102 19.848,103 3.621,104 10,105 22,106 0.278,107 0.623,108 0.787,109 0.812,110 0.861,111 0.861,112 2.795,113 0.982,114 -3.23,115 -3.22,116 -3.09,119 38.7,120 2,121 1,125 2,140 2,141 3,142 1,156 1,169 7,172 1,174 1,176 3,178 8,182 1,186 5,189 8,193 2,197 4,199 4,203 2,208 2,211 1,215 1,218 1,219 1,220 1,226 1,231 1,259 213,260 9.914,261 9.914,262 9.914,263 9.914,264 9.914,265 8.72,266 12.104,267 5.81,268 10.076,269 7.842,270 7.842,271 7.842,272 7.842,273 7.842,274 6.15,275 13.339,276 2.74,277 8.121,278 3.517,279 1.735,280 0.887,281 0.758,282 0.5,283 0.5,284 3.435,288 1,289 1,290 197,291 1.871,294 40.269,295 47.862,302 1.022,303 11.892,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 32,315 95,316 4.428,317 3.35,318 6.515,319 4.046,320 3.062,321 4.124,322 1.505,323 9.955,324 3.013,325 3.88,326 3.084,327 5.621,328 3.503,329 2.557,330 3.165,331 0.368,332 7.465,333 2.421,334 3.486,335 2.456,336 5.231,337 3.117,338 2.14,339 2.781,340 0.265,341 6.294,342 2.081,343 3.027,344 1.913,345 4.499,346 2.631,347 1.647,348 2.226,350 4.297,351 1.616,352 2.252,353 1.467,354 3.475,355 2.145,356 1.18,357 1.232,359 2.596,360 1.136,361 1.788,362 1.098,363 3,364 1.518,365 0.618,366 0.668,368 1.372,369 0.556,370 1.508,371 0.954,372 2.978,373 1.298,374 0.337,375 0.369,377 0.792,378 0.319,379 1.445,380 0.61,381 2.77,382 1.208,383 0.251,384 0.294,386 0.555,387 0.24,388 0.658,389 -0.193,390 2.356,391 0.398,392 -0.588,393 -0.683,395 -1.543,396 -0.579,397 0.076,398 -0.746,399 1.537,400 -0.176,401 -1.165,402 -1.349,404 -2.816,405 -1.139,406 -0.145,407 -0.961,408 1.465,409 -0.41,410 -1.342,411 -1.498,413 -3.28,414 -1.252,415 -0.228,416 -1.058,417 1.259,418 -0.518,419 -1.501,420 -1.776,422 -4.003,423 -1.456,424 -0.302,425 -1.305,426 1.197,427 -0.636,428 -1.604,429 -1.981,431 -4.372,432 -1.475,433 -0.479,434 -1.412,435 1,436 -0.718,437 -1.618,438 -2.151,439 -0.199,440 -4.545,441 -1.56,442 -0.5,443 -1.575,444 0.711,445 -1,446 -1.973,447 -2.42,448 -0.795,449 -5.611,450 -1.92,451 7.133,452 0.476,453 0.404,454 0.027,455 17.25,456 1.15,457 8,458 0.533,459 9.25,460 0.617,461 11.268,462 0.751,463 16.867,464 0.544,465 9.917,466 0.661,467 3.518,468 0.235,469 3.664,470 0.244,471 0.187,473 0.35,479 1.012,480 1.303,481 0.947,482 1.107,483 1.015,484 1.033,485 0.738,486 1.02,487 0.833,488 0.95,489 0.633,490 0.901,491 1.093,492 1.082,493 1.131,494 1.152,495 0.919,496 1.133,497 1.502,498 1.273,499 1.301,500 1.311,501 1.771,502 1.31,503 0.863,504 0.982,505 0.834,506 0.885,507 0.883,508 0.864,509 0.731,510 0.822,511 0.971,512 0.844,513 0.602,514 0.907,515 0.898,516 1.167,517 1.066,518 1.222,519 0.969,520 1.177,521 1.794,522 0.401,523 1.096,524 0.479,525 1.789,526 0.668,527 3,529 2,530 1.097,531 0.759,532 0.285,533 0.258,534 0.118,535 0.031,537 1547,538 3565,539 1.993,540 51.6,541 6,542 6,545 2,546 2,550 1.531,551 1.837,552 2.724,553 0.431,557 1,559 44.561,560 1.437,561 3.22,562 4.067,563 4.196,564 4.454,565 4.454,566 2.206,567 3.19,568 3.882,569 2.802,570 294.177,571 6.504,572 2400.1,574 1,577 153.58,578 1.506,579 3.82,580 0.188,582 0.091,583 0.055,584 0.051,585 0.022,586 0.023,587 0.02,588 0.016,590 0.465,591 1,592 1,593 0.725,594 58.18,595 -0.096,596 -0.06,597 0.016,598 0.035,599 -0.128,600 0.036,601 0.056,602 0.115,603 0.126,604 0.096,605 0.03,606 0.117,607 -0.122,608 0.015,609 -0.164,610 -0.131,611 0.01,612 -0.139,613 -0.205,614 -0.309,615 -0.32,616 -0.291,617 -0.231,618 -0.325,619 0.009,620 -0.112,621 0.126,622 0.039,623 -0.011,624 0.084,625 0.222,626 0.163,627 0.01,628 0.05,629 0.166,630 0.014,631 -0.002,632 -0.291,633 -0.116,634 -0.28,635 -0.026,636 -0.221,637 -0.319,638 0.374,639 -0.067,640 0.307,641 -0.274,642 0.176,643 1.258,644 3.801,645 0.733,646 7.787,647 0.991,648 1.133,649 1.999,650 3.995,651 0.639,652 2.833,653 3.135,654 3.367,655 3.497,656 3.526,657 3.497,658 3.434,659 3.332,660 3.135,661 2.833,662 3.984,663 0.595,664 204.3,665 2.833,666 4.344,667 5.176,668 6.028,669 6.876,670 7.732,671 8.585,672 9.442,673 10.297,674 11.155,675 6.5,677 1,684 1,688 2,693 4,695 6,711 1,714 31,716 7,717 1,718 16,720 32,721 12,722 6,723 4,724 2,730 2,731 2,736 2,743 1,745 7,746 5,750 1,758 1,759 1,761 1,764 16,765 3,766 2,767 3,773 2,774 1,777 1,778 1,792 1,793 1,814 1,819 2,823 2,827 15,832 1,833 3,834 1,847 3.2,849 1,854 8.167,855 6.067,856 3.333,857 1.853,858 1.455,859 1.258,860 0.932,861 2.848,862 7.104,863 3.045,864 3.624,865 4.107,866 4.531,867 4.911,868 4.982,869 5.002,870 5.106,871 5.089,872 4.906,873 1,874 20,875 5.544,876 -0.001,877 2.273,878 7.656,879 10.769,881 8.664,883 2.156,884 32.333,885 0.006,888 164.795,889 55.233,890 34.796,892 42.683,895 55.233,896 207.479,897 34.796,898 17.65,899 6.746,900 36.963,901 45.011,902 26.342,904 164.795,906 164.795,907 90.03,908 42.683,911 164.795,912 42.683,915 59.193,916 30.837,919 164.795,920 77.48,921 55.233,924 164.795,925 18.631,926 36.603,927 18.011,928 59.469,929 164.795,930 77.48,931 55.233,933 0.585,934 0.348,935 0.166,936 0.073,937 11,938 5,939 0.063,940 2,942 1,943 2.717,944 95.287,946 11,947 56.603,951 10.34,952 4.131,953 2.086,955 77.48,956 4.014,961 3.446,963 60.694,964 297.509,965 20,973 4.348,974 1.029,975 30.716,976 35.112,977 0.29,978 0.65,979 0.821,980 0.847,981 0.899,982 0.899,983 4.27,984 0.251,985 5.165,986 0.792,987 3.807,988 4.304,989 1.696,990 5.948,991 3.744,992 5.478,993 -0.588,994 6.723,995 0.555,996 3.434,997 4.205,998 0.904,999 6.81,1000 3.356,1001 6.792,1002 -1.165,1003 8.383,1004 -1.543,1005 5.38,1006 6.474,1007 2.113,1008 9.89,1009 5.269,1010 8.144,1011 -1.342,1012 10.1,1013 -2.816,1014 5.832,1015 7.173,1016 1.864,1017 11.542,1018 5.7,1019 9.526,1020 -1.501,1021 11.854,1022 -3.28,1023 7.245,1024 8.943,1025 2.717,1026 14.153,1027 7.096,1028 10.926,1029 -1.604,1030 13.632,1031 -4.003,1032 8.055,1033 9.997,1034 2.755,1035 16.135,1036 7.887,1037 12.341,1038 -1.618,1039 15.427,1040 -4.372,1041 9.275,1042 11.576,1043 3.416,1044 18.577,1045 9.095,1046 3.062,1047 -1.973,1048 17.235,1049 -4.545,1050 10.246,1051 12.805,1052 3.615,1053 20.715,1054 10.05,1055 2.557,1056 9.955,1057 19.054,1058 -5.611,1059 11.393,1060 14.301,1061 4.169,1062 23.083,1063 11.187,1064 2.14,1065 7.465,1066 20.882,1067 4.124,1068 12.439,1069 15.62,1070 4.458,1071 25.299,1072 12.219,1073 1.647,1074 6.294,1075 22.716,1076 3.165,1077 13.56,1078 17.075,1079 4.951,1080 27.631,1081 13.33,1082 1.18,1083 4.297,1084 24.557,1085 2.781,1086 14.64,1087 18.44,1088 5.291,1089 29.887,1090 14.397,1091 0.618,1092 2.596,1093 26.402,1094 2.226,1095 15.754,1096 19.877,1097 5.749,1098 32.202,1099 15.499,1100 0.337,1101 1.372,1102 28.252,1103 1.232,1104 16.851,1105 21.266,1106 6.119,1107 34.478,1108 16.584,1109 1603,1110 2485,1111 10.345,1112 19.796,1113 23.631,1114 24.182,1115 24.18,1116 23.53,1117 23.583,1118 29.718,1119 4.277,1120 66.652,1121 22.764,1122 5.324,1123 5.35,1124 6.13,1125 5.051,1126 5.062,1127 7.124,1128 2.65,1129 17.11,1130 5.013,1131 7.3,1132 1.477,1133 1.511,1134 1.511,1135 1.471,1136 1.474,1137 1.857,1138 0.267,1139 4.166,1140 1.423,1141 3.987,1142 4.017,1143 3.93,1144 3.919,1145 6.468,1146 3.918,1147 3.757,1148 3.825,1149 3.668,1150 3.559,1151 4.76,1152 3.577,1153 3.299,1154 3.375,1155 3.126,1156 3.168,1157 4.565,1158 3.149,1159 3.151,1160 3.23,1161 2.967,1162 2.993,1163 3.96,1164 2.974,1165 2.9,1166 2.997,1167 2.671,1168 2.725,1169 3.752,1170 2.698,1171 2.751,1172 2.801,1173 2.499,1174 2.402,1175 3.538,1176 2.411,1177 2.551,1178 2.698,1179 2.3,1180 2.187,1181 3.385,1182 2.189,1183 2.37,1184 2.477,1185 2.144,1186 2.151,1187 3.004,1188 2.138,1189 0.277,1190 0.209,1191 0.407,1192 0.253,1193 0.191,1194 4.428,1195 0.258,1196 3.35,1197 0.094,1198 6.515,1199 0.622,1200 4.046,1201 0.188,1202 3.062,1203 4.124,1204 1.505,1205 9.955,1206 3.013,1207 1.952,1208 1.931,1209 2.061,1210 2.035,1211 1.248,1212 2.044,1213 1.469,1214 1.41,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.44,1220 1.356,1221 1.683,1222 1.672,1223 0.848,1224 1.671,1225 1.264,1226 1.182,1227 1.587,1228 1.488,1229 0.681,1230 1.531,1231 1.057,1232 0.976,1233 1.379,1234 1.292,1235 0.434,1236 1.33,1237 0.688,1238 0.59,1239 1.078,1240 1.062,1241 0.2,1242 1.048,1243 0.629,1244 0.553,1245 0.93,1246 0.98,1248 0.996,1249 0.172,1250 0.06,1251 0.621,1252 0.454,1254 0.523,1255 3.497,1257 4.796,1258 2.398,1259 6.286,1260 4.443,1261 7.867,1262 6.26,1263 9.496,1265 3.866,1270 9.801,1271 2.595,1272 3.235,1280 18.445,1281 44.561,1282 99.806,1283 126.07,1284 130.07,1285 138.07,1286 138.07,1287 20.001,1288 5.649,1289 44.62,1290 44.62,1291 11,1292 11.708,1293 3,1294 2.322,1295 23.582,1296 35,1297 28,1298 0.344,1299 116.967,1300 200.77,1301 277.159,1302 1525,1304 10.836,1305 0.722,1306 0.611,1307 10.836,1308 9.17,1309 7.182,1310 0.449,1311 0.327,1312 5.181,1313 6.977,1314 4.958,1315 4.147,1316 7.182,1317 5.235,1318 6.419,1319 0.292,1320 0.179,1321 6.419,1322 3.947,1323 5.574,1324 0.199,1325 0.102,1326 5.574,1327 2.846,1328 3.957,1329 0.124,1330 0.057,1331 3.957,1332 1.815,1333 2.549,1334 0.077,1335 0.031,1336 2.549,1337 1.025,1338 0.513,1339 44.575,1340 0.311,1341 15.074,1342 1.009,1343 76,1344 192.128,1345 81.601,1346 189.789,1347 260.03,1348 178,1349 88,1350 189.833,1351 93.684,1352 194.94,1353 281.32,1354 183,1355 5.721} {0 CHEMBL72178,1 1.252,2 6.267,3 2.805,4 7.869,5 64.193,6 6.131,7 0.375,8 3.548,9 3.695,10 2.955,11 3.101,12 4.478,13 3.031,14 4.105,15 4.335,16 3.275,17 3.476,18 4.941,19 3.377,20 4.24,21 4.464,22 3.19,23 3.583,24 5.065,25 3.441,26 4.332,27 4.588,28 3.117,29 3.586,30 5.047,31 3.403,32 4.381,33 4.67,34 3.01,35 3.485,36 5.127,37 3.28,38 4.319,39 4.665,40 2.745,41 3.27,42 4.972,43 3.067,44 3.944,45 4.241,46 2.135,47 2.995,48 4.54,49 2.706,50 3.753,51 4.175,52 1.443,53 2.395,54 4.161,55 2.046,56 0.042,57 0.472,58 7.988,59 3.17,60 5.583,61 4.694,62 0.118,63 0.751,64 13.889,65 5.195,66 11.283,67 7.789,68 0.112,69 0.84,70 15.838,71 6.014,72 14.498,73 9.011,74 0.08,75 0.858,76 16.883,77 7.047,78 11.599,79 10.287,80 0.102,81 0.863,82 17.763,83 6.627,84 18.839,85 10.081,86 0.174,87 0.757,88 16.823,89 5.036,90 17.82,91 8.249,92 0.056,93 0.52,94 11.181,95 4.566,96 8.838,97 6.727,98 0.086,99 0.347,100 9.02,101 2.892,102 9.267,103 4.628,104 10,105 22,106 0.238,107 0.526,108 0.7,109 0.716,110 0.763,111 0.763,112 2.795,113 1.032,114 -4.07,115 -4.02,116 -3.8,119 39.4,120 3,121 1,125 2,140 2,141 4,156 1,169 10,172 1,174 1,176 1,178 14,182 1,186 1,189 13,193 2,197 2,199 7,203 4,208 4,211 1,215 1,220 1,226 1,231 1,259 220,260 9.861,261 9.861,262 9.861,263 9.861,264 9.861,265 8.695,266 13.775,267 5.852,268 9.997,269 7.895,270 7.895,271 7.895,272 7.895,273 7.895,274 6.188,275 16.778,276 2.794,277 8.11,278 3.793,279 2.284,280 1.372,281 1.289,282 1.038,283 1.038,284 3.435,288 1,289 1,290 195,291 1.871,294 39.488,295 47.862,302 0.987,303 6.559,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 31,315 94,316 4.396,317 3.344,318 6.437,319 4.03,320 3.033,321 4.078,322 1.505,323 9.87,324 3.025,325 3.838,326 2.983,327 5.347,328 3.437,329 2.495,330 3.116,331 0.368,332 6.98,333 2.351,334 3.431,335 2.349,336 4.981,337 3.07,338 2.079,339 2.731,340 0.265,341 5.805,342 2.054,343 3.232,344 2.147,345 4.879,346 2.879,347 1.879,348 2.481,350 5.225,351 1.879,352 2.281,353 1.584,354 3.583,355 2.207,356 1.238,357 1.268,359 2.744,360 1.197,361 1.831,362 1.116,363 3.102,364 1.518,365 0.618,366 0.677,368 1.372,369 0.556,370 1.628,371 0.98,372 3,373 1.498,374 0.512,375 0.562,377 1.302,378 0.504,379 1,380 -0.11,381 2.653,382 0.653,383 -0.347,384 -0.445,386 -0.898,387 -0.347,388 0.647,389 -0.182,390 2.37,391 0.41,392 -0.581,393 -0.671,395 -1.425,396 -0.575,397 0.352,398 -0.237,399 1.528,400 0.239,401 -0.753,402 -0.81,404 -1.847,405 -0.748,406 -0.226,407 -1.044,408 1.468,409 -0.464,410 -1.454,411 -1.566,413 -3.397,414 -1.427,415 -0.232,416 -1.095,417 1.265,418 -0.532,419 -1.532,420 -1.83,422 -4.117,423 -1.456,424 -0.301,425 -1.357,426 1,427 -0.62,428 -1.597,429 -2.036,431 -4.372,432 -1.532,433 -0.479,434 -1.411,435 1,436 -0.718,437 -1.618,438 -2.141,439 -0.199,440 -4.493,441 -1.561,442 -0.5,443 -1.567,444 1,445 -1,446 -1.973,447 -2.414,448 -0.795,449 -5.916,450 -1.92,451 7.3,452 0.487,453 0.421,454 0.028,455 16.5,456 1.1,457 7.5,458 0.5,459 9,460 0.6,461 12.436,462 0.829,463 16.7,464 0.506,465 8.77,466 0.585,467 3.303,468 0.22,469 3.862,470 0.257,471 0.205,473 0.342,479 1.016,480 1.335,481 1.009,482 1.161,483 1.135,484 1.097,485 1.012,486 0.937,487 0.872,488 0.872,489 0.863,490 0.863,491 1.431,492 1.073,493 1.287,494 1.155,495 1.526,496 1.201,497 0.537,498 1.215,499 1.058,500 1.247,501 0.617,502 1.2,503 0.716,504 1.328,505 1.01,506 1.224,507 0.869,508 1.153,509 1.882,510 0.554,511 0.948,512 0.557,513 1.526,514 0.662,515 0.534,516 1.343,517 1.237,518 1.442,519 0.774,520 1.399,521 1.119,522 0.241,523 0.551,524 0.279,525 0.886,526 0.357,527 3.5,529 1.556,530 1.222,531 0.919,532 0.236,533 0.261,534 0.077,535 0.031,537 1527,538 2857,539 1.993,540 54.5,541 9,542 6,545 1,546 2,550 1.533,551 1.837,552 2.675,553 -0.33,557 1,559 41.301,560 1.252,561 2.761,562 3.672,563 3.756,564 4.006,565 4.006,566 2.182,567 2.974,568 3.882,569 2.775,570 291.334,571 6.512,572 2376.7,574 1,577 166.465,578 1.506,579 3.82,580 0.219,582 0.071,583 0.064,584 0.054,585 0.017,586 0.024,587 0.019,588 0.016,590 0.483,591 1,592 1,593 0.725,594 58.009,595 0.018,596 -0.094,597 0.044,598 -0.015,599 -0.117,600 0.012,601 0.16,602 0.173,603 0.153,604 0.161,605 0.167,606 0.157,607 -0.313,608 0.042,609 -0.275,610 -0.118,611 -0.412,612 -0.181,613 0.038,614 -0.234,615 -0.11,616 -0.201,617 0.097,618 -0.172,619 0.126,620 -0.393,621 -0.056,622 -0.254,623 0.103,624 -0.183,625 -0.282,626 0.375,627 0.046,628 0.273,629 -0.214,630 0.199,631 -0.009,632 -0.461,633 -0.324,634 -0.458,635 -0.066,636 -0.422,637 -0.005,638 0.475,639 0.362,640 0.496,641 0.117,642 0.463,643 0.57,644 1.441,645 0.733,646 7.689,647 0.978,648 1.131,649 2.838,650 8.057,651 0.639,652 2.833,653 3.135,654 3.332,655 3.555,656 3.555,657 3.526,658 3.367,659 3.296,660 3.045,661 2.833,662 3.924,663 0.584,664 202.33,665 2.833,666 4.344,667 5.165,668 6.028,669 6.866,670 7.732,671 8.576,672 9.443,673 10.29,674 11.156,675 6.1,677 1,684 1,688 2,693 4,695 6,714 33,716 7,717 1,718 16,720 34,721 13,722 6,723 4,724 2,730 2,731 2,736 3,743 1,745 7,746 6,750 1,758 1,759 1,761 1,764 18,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 3,827 15,833 3,834 1,854 8.167,855 6.867,856 3.306,857 2.046,858 1.473,859 1.261,860 0.962,861 2.875,862 7.122,863 3.045,864 3.624,865 4.082,866 4.571,867 4.928,868 5.001,869 4.896,870 5.044,871 5.094,872 4.961,873 1,874 19,875 5.548,876 -0.001,877 2.219,878 7.389,879 11.068,881 8.891,883 1.889,884 28.333,885 0.01,888 200.109,889 67.244,890 34.796,895 67.244,896 200.109,897 34.796,898 26.476,899 6.746,900 36.963,901 2.328,902 29.528,904 200.109,906 200.109,907 102.041,911 200.109,915 68.018,916 34.023,919 200.109,920 34.796,921 67.244,924 200.109,925 21.816,926 45.428,927 18.011,928 16.786,929 200.109,930 34.796,931 67.244,933 0.582,934 0.331,935 0.18,936 0.08,937 11,938 5,939 0.059,940 2,942 1,943 2.713,944 95.48,946 11,947 52.603,951 10.377,952 4.155,953 2.267,955 34.796,956 4.496,961 5.525,963 18.011,964 302.149,965 20,973 4.441,974 1.144,975 32.272,976 37.318,977 0.248,978 0.547,979 0.728,980 0.745,981 0.794,982 0.794,983 4.27,984 -0.347,985 5.153,986 1.302,987 3.807,988 4.304,989 1.696,990 5.927,991 3.763,992 5.478,993 -0.581,994 6.693,995 -0.898,996 3.434,997 4.205,998 0.904,999 6.742,1000 3.397,1001 6.787,1002 -0.753,1003 8.332,1004 -1.425,1005 5.361,1006 6.46,1007 2.113,1008 9.822,1009 5.287,1010 8.131,1011 -1.454,1012 10.026,1013 -1.847,1014 5.771,1015 7.12,1016 1.864,1017 11.447,1018 5.704,1019 9.502,1020 -1.532,1021 11.757,1022 -3.397,1023 7.192,1024 8.897,1025 2.717,1026 14.051,1027 7.104,1028 10.891,1029 -1.597,1030 13.513,1031 -4.117,1032 7.967,1033 9.914,1034 2.755,1035 16.037,1036 7.887,1037 12.295,1038 -1.618,1039 15.289,1040 -4.372,1041 9.19,1042 11.498,1043 3.416,1044 18.462,1045 9.1,1046 3.033,1047 -1.973,1048 17.08,1049 -4.493,1050 10.139,1051 12.698,1052 3.615,1053 20.613,1054 10.056,1055 2.495,1056 9.87,1057 18.884,1058 -5.916,1059 11.284,1060 14.193,1061 4.169,1062 22.963,1063 11.199,1064 2.079,1065 6.98,1066 20.698,1067 4.078,1068 12.315,1069 15.49,1070 4.458,1071 25.189,1072 12.235,1073 1.879,1074 5.805,1075 22.52,1076 3.116,1077 13.431,1078 16.942,1079 4.951,1080 27.506,1081 13.352,1082 1.238,1083 5.225,1084 24.35,1085 2.731,1086 14.5,1087 18.289,1088 5.291,1089 29.767,1090 14.426,1091 0.618,1092 2.744,1093 26.186,1094 2.481,1095 15.608,1096 19.719,1097 5.749,1098 32.069,1099 15.534,1100 0.512,1101 1.372,1102 28.026,1103 1.268,1104 16.696,1105 21.093,1106 6.119,1107 34.345,1108 16.625,1109 1584,1110 2220,1111 10.345,1112 21.103,1113 23.772,1114 24.194,1115 24.159,1116 23.626,1117 23.71,1118 29.828,1119 4.277,1120 66.597,1121 23.132,1122 5.294,1123 5.344,1124 6.051,1125 5.034,1126 5.033,1127 7.078,1128 2.65,1129 16.705,1130 5.025,1131 7.298,1132 1.486,1133 1.512,1134 1.51,1135 1.477,1136 1.482,1137 1.864,1138 0.267,1139 4.162,1140 1.446,1141 4.001,1142 4.034,1143 3.939,1144 3.946,1145 4.787,1146 3.94,1147 3.758,1148 3.829,1149 3.666,1150 3.561,1151 4.647,1152 3.578,1153 3.302,1154 3.379,1155 3.128,1156 3.174,1157 3.966,1158 3.154,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 3.958,1164 3.101,1165 3.028,1166 3.128,1167 2.778,1168 2.85,1169 3.56,1170 2.819,1171 2.719,1172 2.842,1173 2.376,1174 2.482,1175 3.44,1176 2.438,1177 2.551,1178 2.698,1179 2.3,1180 2.229,1181 3.316,1182 2.191,1183 2.429,1184 2.537,1185 2.145,1186 2.187,1187 3.085,1188 2.189,1189 0.275,1190 0.209,1191 0.402,1192 0.252,1193 0.19,1194 4.396,1195 0.255,1196 3.344,1197 0.094,1198 6.437,1199 0.617,1200 4.03,1201 0.189,1202 3.033,1203 4.078,1204 1.505,1205 9.87,1206 3.025,1207 1.979,1208 1.955,1209 2.095,1210 2.051,1211 1.293,1212 2.067,1213 1.471,1214 1.41,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.44,1220 1.356,1221 1.688,1222 1.67,1223 0.853,1224 1.672,1225 1.303,1226 1.226,1227 1.639,1228 1.507,1229 0.719,1230 1.557,1231 1.242,1232 1.157,1233 1.559,1234 1.478,1235 0.66,1236 1.518,1237 0.81,1238 0.69,1239 1.227,1240 1.107,1241 0.298,1242 1.156,1243 0.685,1244 0.569,1245 1.08,1246 0.985,1247 0.2,1248 1.033,1249 0.477,1250 0.374,1251 0.879,1252 0.726,1254 0.784,1255 3.497,1257 4.796,1258 2.398,1259 6.275,1260 4.443,1261 7.848,1262 6.26,1263 9.474,1265 6.519,1271 2.885,1272 3.324,1280 19.257,1281 41.301,1282 91.107,1283 121.181,1284 123.936,1285 132.2,1286 132.2,1287 15.78,1288 5.649,1289 24.39,1290 24.39,1291 11,1292 11.706,1293 3,1294 2.322,1295 23.527,1296 34,1297 30,1298 0.35,1299 122.563,1300 209.28,1301 290.814,1302 1525,1304 10.836,1305 0.722,1306 0.648,1307 10.836,1308 9.723,1309 7.165,1310 0.448,1311 0.344,1312 5.467,1313 7.024,1314 5.159,1315 4.36,1316 7.165,1317 5.505,1318 6.581,1319 0.299,1320 0.196,1321 6.581,1322 4.309,1323 5.09,1324 0.189,1325 0.108,1326 5.09,1327 2.928,1328 4.372,1329 0.129,1330 0.065,1331 4.372,1332 2.222,1333 2.58,1334 0.076,1335 0.033,1336 2.58,1337 1.11,1338 0.519,1339 43.896,1340 0.311,1341 15.032,1342 1.04,1343 76,1344 159.978,1345 79.497,1346 162.549,1347 228.35,1348 154,1349 87,1350 169.803,1351 90.358,1352 177.856,1353 254.62,1354 166,1355 6.824} {0 CHEMBL72285,1 1.187,2 9.52,3 5.855,4 34.282,5 106.662,6 6.274,7 0.571,8 4.031,9 4.168,10 3.472,11 3.628,12 4.927,13 3.558,14 4.613,15 4.812,16 3.804,17 4.052,18 5.405,19 3.948,20 4.912,21 5.163,22 3.839,23 4.209,24 5.603,25 4.063,26 4.992,27 5.25,28 3.776,29 4.244,30 5.634,31 4.066,32 5.08,33 5.372,34 3.707,35 4.232,36 5.663,37 4.027,38 5.045,39 5.347,40 3.685,41 4.185,42 5.646,43 3.987,44 4.949,45 5.231,46 3.638,47 4.162,48 5.604,49 3.968,50 4.892,51 5.17,52 3.505,53 4.094,54 5.584,55 3.883,56 0.065,57 0.735,58 12.718,59 5.308,60 8.953,61 7.651,62 0.139,63 1.263,64 22.887,65 9.075,66 14.918,67 13.283,68 0.193,69 1.617,70 30.727,71 12.109,72 19.613,73 17.787,74 0.185,75 1.711,76 33.03,77 13.545,78 18.905,79 19.709,80 0.198,81 1.803,82 35.895,83 14.694,84 20.556,85 21.435,86 0.232,87 1.737,88 34.737,89 13.998,90 22.022,91 20.455,92 0.169,93 1.586,94 31.401,95 13.211,96 21.208,97 19.103,98 0.15,99 1.494,100 29.607,101 12.638,102 23.271,103 18.211,104 4,105 38,106 0.198,107 0.511,108 0.729,109 0.847,110 0.871,111 0.871,112 3.267,113 1.04,114 -5.77,115 -5.63,116 -5.25,119 43.4,120 1,121 5,125 2,127 1,140 8,141 4,149 1,150 1,169 16,172 4,176 3,178 19,182 4,186 2,189 16,193 4,197 2,199 11,203 4,208 1,211 11,215 2,218 1,220 1,222 15,233 20,242 2,244 19,254 2,256 13,259 927,260 17.577,261 17.577,262 17.577,263 17.577,264 17.577,265 15.668,266 15.362,267 10.659,268 17.749,269 13.829,270 13.829,271 13.829,272 13.829,273 13.829,274 11.014,275 16.426,276 4.992,277 14.114,278 4.541,279 2.662,280 1.354,281 0.647,282 0.505,283 0.505,284 3.971,289 1,290 529,291 3.162,294 50.868,295 187.246,298 86.198,299 90.015,302 1.539,303 7.469,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 51,315 238,316 4.593,317 3.342,318 6.722,319 4.174,320 3.183,321 4.525,322 0.8,323 10.959,324 3.154,325 3.938,326 3.025,327 6.132,328 3.747,329 2.799,330 3.446,332 9.022,333 2.658,334 3.87,335 2.691,336 5.695,337 3.503,338 2.506,339 3.291,341 7.558,342 2.497,343 3.648,344 2.523,345 5.336,346 3.328,347 2.354,348 2.756,350 6.949,351 2.288,352 3.183,353 1.966,354 4.769,355 2.766,356 1.775,357 2.476,359 5.062,360 1.757,361 2.931,362 1.694,363 4.41,364 2.596,365 1.614,366 2.096,368 4.273,369 1.585,370 2.651,371 1.564,372 3.79,373 2.468,374 1.476,375 1.708,377 3.129,378 1.462,379 2.617,380 1.315,381 3.634,382 2.205,383 1.224,384 1.627,386 2.858,387 1.199,388 2.5,389 1.108,390 3.427,391 2.025,392 1.041,393 1.5,395 2.136,396 1.023,397 2.112,398 1,399 3.247,400 2,401 1,402 1.09,404 2.058,405 1,406 2.084,407 0.914,408 3.202,409 1.8,410 0.825,411 0.993,413 1.944,414 0.803,415 1.948,416 0.652,417 3.173,418 1.563,419 0.588,420 0.795,422 1.428,423 0.573,424 1.477,425 0.454,426 2.837,427 1.333,428 0.351,429 0.388,431 0.712,432 0.344,433 0.892,434 -0.188,435 2.51,436 0.63,437 -0.355,438 -0.406,440 -0.775,441 -0.349,442 0.722,443 -0.272,444 2.365,445 0.466,446 -0.513,447 -0.577,449 -1.08,450 -0.5,451 12.3,452 0.492,453 0.41,454 0.016,455 29.25,456 1.17,457 14,458 0.56,459 15.25,460 0.61,461 23.845,462 0.954,463 26.7,464 0.504,465 17.586,466 0.703,467 5.355,468 0.214,469 6.993,470 0.28,471 0.041,473 0.276,479 1.091,480 1.224,481 0.971,482 1.065,483 0.957,484 1.022,485 1.407,486 1.14,487 1.057,488 1.039,489 0.938,490 1.031,491 1.377,492 1.011,493 1.049,494 0.981,495 0.917,496 0.995,497 1.067,498 1.136,499 1.115,500 1.132,501 0.917,502 1.127,503 0.872,504 1.046,505 0.978,506 1.025,507 0.806,508 1.011,509 0.934,510 0.876,511 0.91,512 0.891,513 0.827,514 0.898,515 0.882,516 0.926,517 0.996,518 0.983,519 1.034,520 0.993,521 0.81,522 1.054,523 1.097,524 1.122,525 1.248,526 1.124,527 3.5,528 0.044,529 2.667,530 0.875,531 1.049,532 0.75,533 0.377,534 0.24,535 0.242,536 0.157,537 7417,538 13406,539 2.179,540 52.8,541 5,542 13,543 1,545 1,547 8,550 1.683,551 2.113,552 3.249,553 -0.475,559 62.932,560 1.187,561 3.066,562 4.374,563 5.081,564 5.223,565 5.223,566 2.709,567 4.244,568 4.616,569 3.415,570 1024.46,571 7.996,572 12401.4,577 303.58,578 1.078,579 4.606,580 0.125,581 0.003,582 0.07,583 0.023,584 0.031,585 0.024,586 0.012,587 0.008,588 0.01,589 0.008,590 0.314,591 0.5,592 0.88,593 0.743,594 120.04,595 0.069,596 -0.057,597 0.07,598 0.014,599 0.104,600 0.037,601 -0.067,602 -0.027,603 -0.027,604 -0.021,605 0.022,606 -0.022,607 -0.115,608 0.031,609 -0.043,610 0.001,611 -0.027,612 -0.014,613 -0.072,614 -0.134,615 -0.129,616 -0.14,617 -0.098,618 -0.138,619 0.039,620 -0.096,621 -0.008,622 -0.054,623 0.004,624 -0.037,625 0.093,626 0.079,627 0.066,628 0.067,629 0.053,630 0.065,631 -0.062,632 0.033,633 -0.027,634 0.005,635 -0.086,636 -0.007,637 -0.077,638 -0.101,639 -0.134,640 -0.128,641 -0.174,642 -0.133,643 0.656,644 0.872,645 0.76,646 20.877,647 0.975,648 1.121,649 4.537,650 20.58,651 0.659,652 3.367,653 3.664,654 3.97,655 4.248,656 4.477,657 4.575,658 4.736,659 4.868,660 4.927,661 4.934,662 5.912,663 0.602,664 332.53,665 3.367,666 4.89,667 5.746,668 6.619,669 7.494,670 8.376,671 9.26,672 10.148,673 11.037,674 11.929,675 3.8,678 1,683 1,687 2,688 9,690 1,693 3,695 16,714 53,716 16,717 2,718 28,720 56,721 23,722 14,723 5,724 7,730 4,731 7,736 1,740 4,743 6,745 14,746 9,764 28,765 1,766 1,767 2,773 2,777 0.5,788 1,792 1,793 3,796 1,797 1,815 1,819 2,823 1,827 25,833 7,837 1,838 1,854 11.833,855 9.533,856 5.611,857 3.642,858 2.901,859 1.389,860 1.01,861 5.004,862 10.359,863 3.611,864 4.186,865 4.786,866 5.37,867 5.849,868 6.099,869 6.456,870 6.805,871 6.827,872 7.006,873 1,874 38,875 9.286,877 3.885,878 7.287,879 18.865,881 16.132,883 1.787,884 44.667,885 0.001,888 317.82,889 124.84,890 19.91,895 124.84,896 317.82,897 19.91,898 8.825,899 16.884,900 84.857,902 32.04,903 13.915,904 306.049,906 317.82,907 144.75,911 223.651,912 94.169,915 45.619,916 99.131,919 317.82,920 19.91,921 124.84,924 317.82,925 31.158,926 96.807,927 16.786,929 317.82,930 19.91,931 124.84,933 0.565,934 0.337,935 0.192,936 0.103,937 19,938 7,939 0.107,940 6,941 2,942 1.211,943 3.798,944 210.021,945 0.211,946 19,947 112.096,951 16.566,952 7.552,953 3.559,954 2.715,955 3.124,956 19.823,958 3.372,961 4.589,963 16.786,964 462.57,965 36,975 51.69,976 59.394,977 0.207,978 0.535,979 0.764,980 0.887,981 0.912,982 0.912,983 4.828,984 1.224,985 5.7,986 3.129,987 4.344,988 4.871,989 0.673,990 6.5,991 4.305,992 5.999,993 1.041,994 7.242,995 2.858,996 3.761,997 4.543,998 0.325,999 7.38,1000 3.693,1001 7.287,1002 1,1003 8.889,1004 2.136,1005 5.911,1006 7.061,1007 0.379,1008 10.505,1009 5.833,1010 8.615,1011 0.825,1012 10.603,1013 2.058,1014 6.236,1015 7.685,1016 0.268,1017 12.266,1018 6.13,1019 9.983,1020 0.588,1021 12.359,1022 1.944,1023 7.778,1024 9.607,1025 0.239,1026 14.885,1027 7.664,1028 11.378,1029 0.351,1030 14.146,1031 1.428,1032 8.528,1033 10.687,1034 0.188,1035 16.999,1036 8.393,1037 12.796,1038 -0.355,1039 15.953,1040 0.712,1041 9.82,1042 12.367,1043 0.156,1044 19.457,1045 9.678,1046 3.183,1047 -0.513,1048 17.776,1049 -0.775,1050 10.774,1051 13.671,1052 0.125,1053 21.72,1054 10.617,1055 2.799,1056 10.959,1057 19.611,1058 -1.08,1059 11.965,1060 15.248,1061 0.102,1062 24.126,1063 11.802,1064 2.506,1065 9.022,1066 21.455,1067 4.525,1068 13.017,1069 16.661,1070 0.082,1071 26.456,1072 12.843,1073 2.354,1074 7.558,1075 23.308,1076 3.446,1077 14.171,1078 18.195,1079 0.066,1080 28.845,1081 13.991,1082 1.775,1083 6.949,1084 25.166,1085 3.291,1086 15.269,1087 19.659,1088 0.054,1089 31.206,1090 15.083,1091 1.614,1092 5.062,1093 27.031,1094 2.756,1095 16.412,1096 21.177,1097 0.043,1098 33.592,1099 16.22,1100 1.476,1101 4.273,1102 28.9,1103 2.476,1104 17.534,1105 22.665,1106 0.035,1107 35.968,1108 17.336,1109 6950,1110 9426,1111 19.474,1112 34.91,1113 41.675,1114 41.487,1115 42.181,1116 41.481,1117 41.474,1118 53.382,1119 1.6,1120 116.174,1121 40.683,1122 5.539,1123 5.342,1124 6.524,1125 5.198,1126 5.183,1127 7.525,1128 1.2,1129 18.173,1130 5.154,1131 6.46,1132 1.488,1133 1.482,1134 1.506,1135 1.481,1136 1.481,1137 1.907,1138 0.057,1139 4.149,1140 1.453,1141 4.154,1142 4.188,1143 4.107,1144 4.081,1145 4.969,1146 4.083,1147 3.928,1148 3.967,1149 3.848,1150 3.863,1151 4.752,1152 3.854,1153 3.776,1154 3.836,1155 3.67,1156 3.632,1157 4.381,1158 3.633,1159 3.584,1160 3.655,1161 3.436,1162 3.441,1163 4.213,1164 3.429,1165 3.385,1166 3.463,1167 3.202,1168 3.241,1169 3.982,1170 3.223,1171 3.251,1172 3.312,1173 3.104,1174 3.145,1175 3.871,1176 3.128,1177 3.04,1178 3.129,1179 2.847,1180 2.874,1181 3.674,1182 2.855,1183 2.95,1184 3.04,1185 2.779,1186 2.781,1187 3.626,1188 2.773,1189 0.164,1190 0.119,1191 0.24,1192 0.149,1193 0.114,1194 4.593,1195 0.162,1196 3.342,1197 0.029,1198 6.722,1199 0.391,1200 4.174,1201 0.113,1202 3.183,1203 4.525,1204 0.8,1205 10.959,1206 3.154,1207 2.029,1208 2.004,1209 2.141,1210 2.116,1211 1.477,1212 2.126,1213 1.92,1214 1.89,1215 2.054,1216 2.007,1217 1.256,1218 2.025,1219 1.701,1220 1.639,1221 1.928,1222 1.88,1223 1.144,1224 1.896,1225 1.537,1226 1.469,1227 1.769,1228 1.746,1229 0.998,1230 1.756,1231 1.465,1232 1.408,1233 1.666,1234 1.64,1235 0.872,1236 1.661,1237 1.376,1238 1.307,1239 1.641,1240 1.552,1241 0.762,1242 1.588,1243 1.149,1244 1.078,1245 1.446,1246 1.345,1247 0.633,1248 1.384,1249 0.929,1250 0.835,1251 1.32,1252 1.187,1253 0.49,1254 1.238,1255 4.043,1257 5.342,1258 2.398,1259 6.851,1260 4.595,1261 8.46,1262 6.605,1263 10.123,1265 2.302,1271 8.45,1275 0.677,1276 2.738,1280 31.891,1281 62.932,1282 162.482,1283 231.805,1284 269.315,1285 276.825,1286 276.825,1287 29.27,1288 7.458,1289 19.03,1290 19.03,1291 23,1292 12.458,1293 4.087,1294 3.17,1295 35.834,1296 87,1297 91,1298 0.197,1299 194.918,1300 327.84,1301 467.359,1302 17434,1304 17.062,1305 0.682,1306 0.607,1307 17.062,1308 15.17,1309 12.348,1310 0.441,1311 0.347,1312 9.659,1313 12.176,1314 9.402,1315 7.813,1316 12.348,1317 9.707,1318 10.559,1319 0.278,1320 0.192,1321 10.559,1322 7.31,1323 9.261,1324 0.178,1325 0.109,1326 9.261,1327 5.687,1328 7.941,1329 0.115,1330 0.063,1331 7.941,1332 4.369,1333 6.405,1334 0.074,1335 0.037,1336 6.405,1337 3.213,1338 0.306,1339 75.115,1340 0.227,1341 24.184,1342 0.551,1343 132,1344 245.978,1345 136.135,1346 251.363,1347 363.25,1348 240,1349 156,1350 279.437,1351 160.663,1352 288.602,1353 423.2,1354 275,1355 8.131} {0 CHEMBL7257,1 1.406,2 7,3 2.502,4 6.26,5 66.905,6 6.421,7 0.588,8 3.599,9 3.737,10 3.046,11 3.079,12 4.6,13 3.04,14 4.139,15 4.359,16 3.328,17 3.446,18 5.017,19 3.386,20 4.251,21 4.452,22 3.299,23 3.578,24 5.117,25 3.461,26 4.429,27 4.708,28 3.148,29 3.555,30 5.157,31 3.383,32 4.306,33 4.607,34 3.037,35 3.36,36 5.019,37 3.191,38 4.053,39 4.291,40 2.903,41 3.213,42 4.88,43 3.079,44 4.066,45 4.343,46 2.521,47 3.097,48 4.83,49 2.891,50 3.889,51 4.236,52 2.165,53 2.758,54 4.494,55 2.501,56 0.037,57 0.483,58 8.226,59 3.066,60 7.618,61 4.487,62 0.169,63 0.738,64 14.618,65 4.675,66 14.041,67 7.062,68 0.107,69 0.827,70 15.924,71 6.16,72 14.154,73 8.898,74 0.14,75 0.877,76 19.05,77 6.893,78 17.55,79 10.36,80 0.203,81 0.742,82 17.004,83 5.902,84 16.757,85 8.916,86 0.131,87 0.618,88 13.264,89 4.444,90 14.024,91 6.665,92 0.21,93 0.593,94 13.557,95 4.119,96 16.138,97 6.505,98 0.085,99 0.421,100 11.016,101 3.835,102 11.948,103 5.841,104 16,105 23,106 0.264,107 0.609,108 0.785,109 0.811,110 0.811,111 0.811,112 2.853,113 0.969,114 -3.08,115 -3.08,116 -2.96,119 38.2,121 1,124 3,125 1,140 3,141 2,142 1,149 1,150 1,169 4,172 3,176 3,178 4,182 3,186 3,189 4,193 2,199 2,203 2,206 2,211 1,215 1,225 1,226 1,259 268,260 10.732,261 10.732,262 10.732,263 10.732,264 10.732,265 9.602,266 11.055,267 6.359,268 11.08,269 8.325,270 8.325,271 8.325,272 8.325,273 8.325,274 6.537,275 10.948,276 2.953,277 8.768,278 3.681,279 1.849,280 0.912,281 0.772,282 0.772,283 0.772,284 3.502,288 1,289 1,290 228,291 2.828,294 32.225,295 37.738,298 59.034,302 1.125,303 6.327,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 34,315 112,316 4.55,317 3.186,318 6.547,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.043,325 3.704,326 2.737,327 5.295,328 3.321,329 2.375,330 3.122,331 0.8,332 6.738,333 2.246,334 3.376,335 2.552,336 5.103,337 3.123,338 2.205,339 2.681,341 5.971,342 2.025,343 3.145,344 2.082,345 4.624,346 2.848,347 1.887,348 2.182,350 5.024,351 1.803,352 2.722,353 1.344,354 4.13,355 2.244,356 1.271,357 1.819,359 3.446,360 1.235,361 2.24,362 1.135,363 3.296,364 1.821,365 0.877,366 1.15,368 1.944,369 0.824,370 1.688,371 0.837,372 2.905,373 1.45,374 0.527,375 0.595,377 1.026,378 0.48,379 1.467,380 0.435,381 2.758,382 1.193,383 0.277,384 0.325,386 0.491,387 0.253,388 0.747,389 -0.238,390 2.208,391 0.364,392 -0.574,393 -0.696,395 -1.244,396 -0.532,397 0.623,398 -0.6,399 2,400 0.158,401 -0.833,402 -1,404 -2,405 -0.822,406 0.147,407 -0.618,408 1.878,409 -0.1,410 -1,411 -1.116,413 -2.554,414 -0.9,416 -0.906,417 1.535,418 -0.148,419 -1.093,420 -1.382,422 -2.989,423 -1.021,424 -0.213,425 -1.23,426 1,427 -0.608,428 -1.542,429 -1.741,431 -3.907,432 -1.375,433 -0.31,434 -1.467,435 0.897,436 -0.701,437 -1.608,438 -2.063,440 -4.485,441 -1.525,442 -0.5,443 -1.749,444 0.747,445 -0.946,446 -1.913,447 -2.533,448 -0.4,449 -5.125,450 -1.843,451 7.633,452 0.477,453 0.383,454 0.024,455 18.75,456 1.172,457 8.5,458 0.531,459 10.25,460 0.641,461 11.338,462 0.709,463 18.167,464 0.534,465 11.456,466 0.716,467 3.962,468 0.248,469 3.74,470 0.234,471 0.197,473 0.314,479 0.983,480 1.528,481 0.942,482 1.268,483 0.964,484 1.12,485 1.565,486 0.796,487 0.963,488 0.689,489 1.045,490 0.735,491 0.973,492 1.274,493 1.158,494 1.281,495 1.002,496 1.25,497 0.704,498 1.062,499 0.954,500 1.072,501 0.893,502 1.044,503 0.541,504 0.863,505 0.773,506 0.905,507 0.6,508 0.871,509 1.375,510 1.266,511 1.183,512 1.174,513 1.285,514 1.169,515 1.227,516 1.04,517 1.411,518 1.156,519 1.456,520 1.27,521 0.53,522 0.837,523 0.711,524 0.893,525 0.529,526 0.835,527 3.5,529 1.778,530 0.854,531 0.733,532 0.455,533 0.309,534 0.128,535 0.09,537 1814,538 3948,539 1.993,540 52.9,542 14,543 1,545 1,547 2,550 1.552,551 1.846,552 2.839,553 -0.291,555 1,556 1,557 1,559 47.809,560 1.406,561 3.239,562 4.175,563 4.315,564 4.315,565 4.315,566 2.258,567 3.625,568 3.966,569 2.947,570 353.602,571 6.685,572 3035.01,574 1,576 1,577 172.974,578 1.477,579 3.918,580 0.206,582 0.077,583 0.041,584 0.043,585 0.03,586 0.024,587 0.018,588 0.018,590 0.457,591 0.83,592 1,593 1.578,594 64.249,595 0.01,596 -0.264,597 0.065,598 -0.127,599 0.005,600 -0.039,601 -0.221,602 0.335,603 0.074,604 0.305,605 0.015,606 0.241,607 -0.102,608 -0.17,609 -0.194,610 -0.195,611 -0.097,612 -0.204,613 0.005,614 -0.107,615 -0.015,616 -0.085,617 -0.053,618 -0.056,619 0.258,620 0.049,621 0.177,622 0.038,623 0.241,624 0.089,625 -0.16,626 -0.258,627 -0.188,628 -0.186,629 -0.164,630 -0.196,631 -0.122,632 -0.036,633 -0.425,634 -0.253,635 -0.378,636 -0.354,637 0.149,638 -0.066,639 0.209,640 0.01,641 0.302,642 0.104,643 0.752,644 1.748,645 0.563,646 10.438,647 0.988,648 1.133,649 1.851,650 3.425,651 0.634,652 2.89,653 3.178,654 3.401,655 3.638,656 3.829,657 3.871,658 3.871,659 3.85,660 3.466,661 3.178,662 4.319,663 0.587,664 218.33,665 2.89,666 4.394,667 5.22,668 6.084,669 6.942,670 7.816,671 8.687,672 9.566,673 10.443,674 11.324,675 5.9,678 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 34,716 10,717 1,718 17,720 35,721 13,722 8,723 3,724 3,730 2,731 3,743 1,745 8,746 5,761 1,764 18,765 2,766 1,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,815 1,819 1,823 3,827 16,833 2,835 1,838 1,847 2.9,852 1,854 8.667,855 6.95,856 3.639,857 1.882,858 2.09,859 1.35,860 0.957,861 3.39,862 8.053,863 3.135,864 3.744,865 4.365,866 4.992,867 5.494,868 5.806,869 6.124,870 6.406,871 6.005,872 5.829,873 0.8,874 21,875 5.886,877 2.326,878 7.479,879 11.555,881 9.044,883 1.979,884 31.667,885 0.005,888 200.109,889 82.938,890 19.91,892 11,895 82.938,896 211.109,897 19.91,898 27.676,899 4.64,900 37.476,902 41.912,903 13.915,904 188.338,906 200.109,907 102.848,908 11,911 176.567,912 34.542,915 24.55,916 78.298,919 200.109,920 30.91,921 82.938,924 200.109,925 17.786,926 68.276,927 16.786,928 11,929 200.109,930 30.91,931 82.938,933 0.57,934 0.317,935 0.166,936 0.098,937 11,938 5,939 0.114,940 4,941 1,942 1.222,943 2.828,944 103.924,945 0.222,946 9,947 62,951 11.333,952 4.786,953 2.52,954 2.441,955 14.124,956 8.228,958 3.289,961 2.265,963 16.786,964 313.957,965 22,975 33.6,976 38.528,977 0.276,978 0.637,979 0.821,980 0.848,981 0.848,982 0.848,983 4.337,984 0.277,985 5.198,986 1.026,987 3.85,988 4.425,989 1.235,990 5.979,991 3.765,992 5.54,993 -0.574,994 6.739,995 0.491,996 3.434,997 4.311,998 0.325,999 6.862,1000 3.317,1001 6.845,1002 -0.833,1003 8.38,1004 -1.244,1005 5.407,1006 6.704,1007 0.938,1008 9.924,1009 5.268,1010 8.195,1011 -1,1012 10.079,1013 -2,1014 5.802,1015 7.476,1016 0.268,1017 11.668,1018 5.645,1019 9.58,1020 -1.093,1021 11.818,1022 -2.554,1023 7.259,1024 9.344,1025 0.732,1026 14.26,1027 7.091,1028 10.993,1029 -1.542,1030 13.587,1031 -2.989,1032 8.038,1033 10.524,1034 0.188,1035 16.363,1036 7.862,1037 12.427,1038 -1.608,1039 15.378,1040 -3.907,1041 9.289,1042 12.178,1043 0.57,1044 18.795,1045 9.105,1046 3.092,1047 -1.913,1048 17.186,1049 -4.485,1050 10.255,1051 13.543,1052 0.125,1053 21.042,1054 10.064,1055 2.375,1056 10.36,1057 19.009,1058 -5.125,1059 11.425,1060 15.11,1061 0.438,1062 23.415,1063 11.226,1064 2.205,1065 6.738,1066 20.843,1067 4.504,1068 12.479,1069 16.555,1070 0.082,1071 25.718,1072 12.272,1073 1.887,1074 5.971,1075 22.686,1076 3.122,1077 13.619,1078 18.085,1079 0.334,1080 28.07,1081 13.402,1082 1.271,1083 5.024,1084 24.536,1085 2.681,1086 14.713,1087 19.565,1088 0.054,1089 30.394,1090 14.485,1091 0.877,1092 3.446,1093 26.393,1094 2.182,1095 15.844,1096 21.08,1097 0.252,1098 32.737,1099 15.604,1100 0.527,1101 1.944,1102 28.254,1103 1.819,1104 16.956,1105 22.574,1106 0.035,1107 35.07,1108 16.703,1109 1917,1110 2896,1111 11.038,1112 21.557,1113 25.079,1114 25.226,1115 26.021,1116 25.001,1117 25.022,1118 32.752,1119 3.32,1120 69.997,1121 23.819,1122 5.382,1123 5.186,1124 6.096,1125 5.076,1126 5.092,1127 7.504,1128 1.72,1129 17.025,1130 5.043,1131 8.252,1132 1.475,1133 1.484,1134 1.531,1135 1.471,1136 1.472,1137 1.927,1138 0.195,1139 4.117,1140 1.401,1141 4.129,1142 4.161,1143 4.088,1144 4.043,1145 4.999,1146 4.05,1147 3.659,1148 3.741,1149 3.522,1150 3.473,1151 4.624,1152 3.475,1153 3.473,1154 3.521,1155 3.366,1156 3.264,1157 4.316,1158 3.278,1159 3.197,1160 3.28,1161 3.006,1162 2.973,1163 4.043,1164 2.972,1165 3.059,1166 3.162,1167 2.828,1168 2.819,1169 3.778,1170 2.803,1171 2.874,1172 3.009,1173 2.666,1174 2.715,1175 3.502,1176 2.694,1177 2.849,1178 2.921,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.377,1184 2.474,1185 2.216,1186 2.245,1187 3.115,1188 2.229,1189 0.268,1190 0.187,1191 0.385,1192 0.24,1193 0.182,1194 4.55,1195 0.265,1196 3.186,1197 0.051,1198 6.547,1199 0.609,1200 4.076,1201 0.179,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.043,1207 1.936,1208 1.917,1209 2.024,1210 2.025,1211 1.25,1212 2.024,1213 1.685,1214 1.621,1215 1.9,1216 1.901,1217 1.064,1218 1.907,1219 1.45,1220 1.367,1221 1.692,1222 1.695,1223 0.784,1224 1.696,1225 1.236,1226 1.172,1227 1.578,1228 1.541,1229 0.581,1230 1.553,1231 1.064,1232 0.963,1233 1.417,1234 1.331,1235 0.504,1236 1.369,1237 0.934,1238 0.804,1239 1.406,1240 1.239,1241 0.469,1242 1.308,1243 0.866,1244 0.8,1245 1.12,1246 1.044,1247 0.229,1248 1.077,1249 0.694,1250 0.626,1251 0.99,1252 0.886,1253 0.104,1254 0.926,1255 3.555,1257 4.844,1258 2.398,1259 6.323,1260 4.727,1261 7.893,1262 6.823,1263 9.52,1265 5.887,1271 2.115,1273 5.248,1276 2.193,1280 19.972,1281 47.809,1282 110.113,1283 141.954,1284 146.709,1285 146.709,1286 146.709,1287 16.815,1288 5.964,1289 28.26,1290 28.26,1291 11,1292 11.86,1293 3.459,1294 2.585,1295 25.937,1296 40,1297 39,1298 0.332,1299 126.559,1300 207.17,1301 300.565,1302 2318,1304 11.544,1305 0.721,1306 0.63,1307 11.544,1308 10.079,1309 7.703,1310 0.453,1311 0.323,1312 5.392,1313 7.358,1314 5.126,1315 4.354,1316 7.703,1317 5.492,1318 6.82,1319 0.297,1320 0.186,1321 6.82,1322 4.279,1323 5.363,1324 0.185,1325 0.097,1326 5.363,1327 2.803,1328 4.214,1329 0.114,1330 0.05,1331 4.214,1332 1.835,1333 3.406,1334 0.076,1335 0.028,1336 3.406,1337 1.264,1338 0.5,1339 48.567,1340 0.301,1341 16.09,1342 0.964,1343 80,1344 205.714,1345 86.015,1346 199.113,1347 273.94,1348 188,1349 92,1350 198.926,1351 98.488,1352 208.101,1353 297.13,1354 191,1355 7.505} {0 CHEMBL73112,1 1.207,2 7.35,3 4.451,4 19.814,5 84.764,6 6.101,7 0.435,8 3.862,9 4.003,10 3.291,11 3.438,12 4.668,13 3.369,14 4.49,15 4.695,16 3.649,17 3.902,18 5.211,19 3.794,20 4.845,21 5.107,22 3.735,23 4.11,24 5.468,25 3.96,26 4.92,27 5.195,28 3.555,29 4.111,30 5.499,31 3.908,32 4.892,33 5.208,34 3.389,35 3.974,36 5.405,37 3.746,38 4.706,39 5.017,40 3.252,41 3.797,42 5.25,43 3.582,44 4.497,45 4.802,46 3.064,47 3.623,48 5.07,49 3.412,50 4.266,51 4.553,52 2.837,53 3.42,54 4.902,55 3.207,56 0.059,57 0.641,58 11.053,59 4.466,60 6.103,61 6.549,62 0.13,63 1.126,64 20.58,65 7.894,66 11.12,67 11.776,68 0.188,69 1.484,70 28.763,71 11.045,72 15,73 16.483,74 0.176,75 1.532,76 30.535,77 12.346,78 15.311,79 18.141,80 0.159,81 1.401,82 29.107,83 11.852,84 14.71,85 17.414,86 0.177,87 1.185,88 24.407,89 9.567,90 13.388,91 14.16,92 0.119,93 0.96,94 19.704,95 7.865,96 11.299,97 11.61,98 0.094,99 0.776,100 15.704,101 6.259,102 10.457,103 9.243,105 32,106 0.212,107 0.515,108 0.711,109 0.806,110 0.814,111 0.814,112 3.06,113 1.074,114 -4.51,115 -4.43,116 -4.17,119 40.9,121 7,125 2,127 1,140 3,141 3,149 1,150 1,169 11,172 4,176 3,178 13,182 4,186 2,189 12,193 2,197 2,199 9,203 2,208 1,211 9,215 1,218 1,220 1,222 8,233 8,242 2,244 6,254 2,256 2,259 398,260 14.137,261 14.137,262 14.137,263 14.137,264 14.137,265 12.98,266 13.555,267 8.483,268 14.31,269 11.397,270 11.397,271 11.397,272 11.397,273 11.397,274 9.626,275 15.648,276 4.049,277 11.68,278 4.252,279 2.524,280 1.409,281 0.864,282 0.818,283 0.818,284 3.768,288 1,289 1,290 333,291 1.732,294 33.341,295 69.16,296 55.47,298 56.663,299 58.876,302 1.15,303 5.154,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 41,315 147,316 4.593,317 3.342,318 6.722,319 4.174,320 3.183,321 4.525,322 0.8,323 10.959,324 3.154,325 3.909,326 3.013,327 6.131,328 3.74,329 2.794,330 3.292,332 9.018,333 2.645,334 3.666,335 2.532,336 5.695,337 3.347,338 2.373,339 2.767,341 7.554,342 2.308,343 3.184,344 1.99,345 4.77,346 2.846,347 1.852,348 2.477,350 5.07,351 1.84,352 2.855,353 1.824,354 4.45,355 2.733,356 1.744,357 1.861,359 4.451,360 1.724,361 2.643,362 1.422,363 3.793,364 2.301,365 1.33,366 1.705,368 3.089,369 1.289,370 2.358,371 1.313,372 3.649,373 2.237,374 1.247,375 1.353,377 2.858,378 1.233,379 2.247,380 1.298,381 3.426,382 2.194,383 1.214,384 1.247,386 2.606,387 1.188,388 2.088,389 0.914,390 3.414,391 1.799,392 0.824,393 0.993,395 2.058,396 0.801,397 1.933,398 0.619,399 3.162,400 1.538,401 0.563,402 0.772,404 1.382,405 0.548,406 1.021,407 0.018,408 2.648,409 0.89,410 -0.095,411 -0.1,413 -0.219,414 -0.094,415 0.692,416 -0.287,417 2.499,418 0.521,419 -0.445,420 -0.445,422 -1,423 -0.428,424 0.632,425 -0.399,426 2.187,427 0.505,428 -0.484,429 -0.547,431 -1.203,432 -0.479,433 0.555,434 -0.529,435 2.117,436 0.296,437 -0.694,438 -0.812,440 -1.907,441 -0.686,442 0.223,443 -0.995,444 2,445 -0.051,446 -1.041,447 -1.391,449 -3.014,450 -1.03,451 9.8,452 0.49,453 0.342,454 0.017,455 20.75,456 1.038,457 8,458 0.4,459 12.75,460 0.638,461 19.785,462 0.989,463 22,464 0.5,465 10.392,466 0.52,467 3.373,468 0.169,469 6.543,470 0.327,473 0.296,479 1.093,480 1.3,481 0.988,482 1.111,483 0.87,484 1.055,485 1.374,486 1.188,487 1.084,488 1.08,489 0.909,490 1.067,491 1.267,492 0.982,493 1.013,494 0.953,495 0.847,496 0.965,497 0.982,498 1.102,499 1.136,500 1.148,501 0.936,502 1.151,503 0.622,504 0.948,505 0.871,506 0.951,507 0.789,508 0.93,509 0.846,510 0.906,511 0.931,512 0.935,513 0.823,514 0.937,515 0.915,516 0.882,517 0.947,518 0.923,519 1.065,520 0.934,521 1.014,522 1.066,523 1.116,524 1.111,525 1.546,526 1.118,527 2.5,529 2.222,530 0.813,531 0.773,532 0.486,533 0.254,534 0.142,535 0.06,536 0.007,537 3937,538 6177,539 2.259,540 54.5,541 6,542 8,543 1,545 1,547 8,550 1.62,551 2.222,552 2.941,553 -0.419,555 1,559 53.117,560 1.207,561 2.935,562 4.051,563 4.596,564 4.641,565 4.641,566 2.261,567 3.409,568 4.299,569 3.041,570 577.698,571 7.35,572 5725.31,574 1,576 1,577 240.215,578 0.881,579 4.295,580 0.109,582 0.069,583 0.024,584 0.03,585 0.022,586 0.013,587 0.009,588 0.005,589 0.001,590 0.282,591 0.83,592 1,594 86.784,595 0.072,596 -0.073,597 0.088,598 0.018,599 0.206,600 0.048,601 -0.074,602 -0.047,603 -0.036,604 -0.034,605 0.085,606 -0.033,607 -0.093,608 0.058,609 -0.006,610 0.038,611 0.048,612 0.024,613 -0.105,614 -0.119,615 -0.164,616 -0.154,617 -0.086,618 -0.161,619 0.093,620 -0.05,621 0.07,622 0.011,623 0.047,624 0.034,625 0.114,626 0.026,627 0.03,628 0.013,629 0.077,630 0.016,631 -0.04,632 0.052,633 0.011,634 0.039,635 -0.068,636 0.03,637 -0.104,638 -0.103,639 -0.148,640 -0.136,641 -0.284,642 -0.143,643 0.555,644 0.86,645 1,646 11.79,647 0.976,648 1.126,649 3.276,650 10.734,651 0.645,652 3.178,653 3.497,654 3.829,655 4.127,656 4.369,657 4.533,658 4.644,659 4.787,660 4.836,661 4.844,662 4.671,663 0.587,664 268.44,665 3.178,666 4.71,667 5.58,668 6.463,669 7.351,670 8.243,671 9.138,672 10.035,673 10.933,674 11.833,675 4.5,678 1,683 1,687 2,688 4,690 1,693 2,695 10,714 44,716 10,717 1,718 23,720 47,721 18,722 8,723 4,724 2,730 4,731 7,740 8,743 8,745 8,746 10,761 1,764 24,765 1,766 1,767 2,773 2,777 0.5,788 1,792 1,793 2,794 1,796 1,797 1,815 1,819 2,827 20,833 9,837 1,838 1,854 9,855 7.617,856 4.361,857 3.156,858 2.107,859 1.291,860 1.029,861 3.37,862 9.339,863 3.367,864 3.937,865 4.555,866 5.16,867 5.639,868 6.01,869 6.372,870 6.731,871 6.715,872 6.866,873 0.8,874 34,875 7.472,877 3.217,878 7.2,879 15.481,881 13.826,883 1.7,884 34,885 0.006,888 270.735,889 70.518,890 19.91,895 70.518,896 270.735,897 19.91,899 21.953,900 37.476,902 28.854,903 13.915,904 258.964,906 270.735,907 90.427,911 176.567,912 94.169,915 41.863,916 48.564,919 270.735,920 19.91,921 70.518,924 270.735,925 33.041,926 40.6,927 16.786,929 270.735,930 19.91,931 70.518,933 0.575,934 0.345,935 0.196,936 0.105,937 18,938 6,939 0.021,940 1,941 2,942 1.2,943 3.322,944 161.317,945 0.2,946 20,947 80.439,951 12.611,952 5.344,953 2.351,954 2.766,955 3.124,956 8.937,958 3.36,961 3.201,963 16.786,964 361.163,965 28,975 42.923,976 49.564,977 0.221,978 0.538,979 0.742,980 0.842,981 0.85,982 0.85,983 4.61,984 1.214,985 5.541,986 2.858,987 4.174,988 4.62,989 0.673,990 6.361,991 4.128,992 5.771,993 0.824,994 7.094,995 2.606,996 3.611,997 4.388,998 0.325,999 7.273,1000 3.531,1001 7.066,1002 0.563,1003 8.754,1004 2.058,1005 5.759,1006 6.819,1007 0.379,1008 10.417,1009 5.667,1010 8.403,1011 -0.095,1012 10.482,1013 1.382,1014 6.111,1015 7.567,1016 0.268,1017 12.207,1018 5.99,1019 9.784,1020 -0.445,1021 12.252,1022 -0.219,1023 7.649,1024 9.422,1025 0.239,1026 14.839,1027 7.519,1028 11.194,1029 -0.484,1030 14.052,1031 -1,1032 8.432,1033 10.602,1034 0.188,1035 16.97,1036 8.282,1037 12.627,1038 -0.694,1039 15.872,1040 -1.203,1041 9.722,1042 12.245,1043 0.156,1044 19.435,1045 9.564,1046 3.183,1047 -1.041,1048 17.707,1049 -1.907,1050 10.703,1051 13.613,1052 0.125,1053 21.707,1054 10.533,1055 2.794,1056 10.959,1057 19.552,1058 -3.014,1059 11.896,1060 15.174,1061 0.102,1062 24.116,1063 11.72,1064 2.373,1065 9.018,1066 21.406,1067 4.525,1068 12.966,1069 16.623,1070 0.082,1071 26.449,1072 12.782,1073 1.852,1074 7.554,1075 23.266,1076 3.292,1077 14.123,1078 18.153,1079 0.066,1080 28.841,1081 13.934,1082 1.744,1083 5.07,1084 25.132,1085 2.767,1086 15.233,1087 19.636,1088 0.054,1089 31.203,1090 15.039,1091 1.33,1092 4.451,1093 27.002,1094 2.477,1095 16.38,1096 21.153,1097 0.043,1098 33.59,1099 16.181,1100 1.247,1101 3.089,1102 28.876,1103 1.861,1104 17.509,1105 22.651,1106 0.035,1107 35.967,1108 17.306,1109 3639,1110 4646,1111 16.296,1112 28.387,1113 34.606,1114 34.306,1115 34.771,1116 34.252,1117 34.248,1118 41.983,1119 1.6,1120 98.089,1121 33.461,1122 5.561,1123 5.342,1124 6.515,1125 5.211,1126 5.183,1127 7.525,1128 1.2,1129 18.173,1130 5.154,1132 1.505,1133 1.492,1134 1.512,1135 1.489,1136 1.489,1137 1.825,1138 0.07,1139 4.265,1140 1.455,1141 4.154,1142 4.187,1143 4.106,1144 4.08,1145 4.968,1146 4.082,1147 3.864,1148 3.93,1149 3.742,1150 3.716,1151 4.396,1152 3.712,1153 3.663,1154 3.725,1155 3.531,1156 3.541,1157 4.253,1158 3.531,1159 3.331,1160 3.396,1161 3.205,1162 3.207,1163 3.964,1164 3.198,1165 3.278,1166 3.364,1167 3.057,1168 3.125,1169 3.67,1170 3.097,1171 3.107,1172 3.191,1173 2.929,1174 2.927,1175 3.654,1176 2.917,1177 3.034,1178 3.12,1179 2.845,1180 2.871,1181 3.542,1182 2.854,1183 2.759,1184 2.84,1185 2.572,1186 2.608,1187 3.296,1188 2.59,1189 0.2,1190 0.145,1191 0.292,1192 0.181,1193 0.138,1194 4.593,1195 0.197,1196 3.342,1197 0.035,1198 6.722,1199 0.476,1200 4.174,1201 0.137,1202 3.183,1203 4.525,1204 0.8,1205 10.959,1206 3.154,1207 2.028,1208 2.003,1209 2.137,1210 2.111,1211 1.474,1212 2.122,1213 1.712,1214 1.647,1215 1.975,1216 1.877,1217 1.336,1218 1.912,1219 1.687,1220 1.626,1221 1.879,1222 1.873,1223 1.181,1224 1.881,1225 1.498,1226 1.432,1227 1.713,1228 1.72,1229 0.973,1230 1.72,1231 1.435,1232 1.378,1233 1.646,1234 1.583,1235 0.766,1236 1.614,1237 1.135,1238 1.064,1239 1.436,1240 1.331,1241 0.632,1242 1.372,1243 0.853,1244 0.779,1245 1.253,1246 1.09,1247 0.528,1248 1.153,1249 0.819,1250 0.708,1251 1.135,1252 1.062,1253 0.359,1254 1.095,1255 3.85,1257 5.165,1258 2.398,1259 6.681,1260 4.727,1261 8.3,1262 6.783,1263 9.978,1271 12.177,1275 0.779,1276 2.779,1280 25.838,1281 53.117,1282 129.14,1283 178.241,1284 202.215,1285 204.215,1286 204.215,1287 20.705,1288 7.232,1289 19.03,1290 19.03,1291 24,1292 12.356,1293 3.459,1294 2.585,1295 26.107,1296 58,1297 45,1298 0.234,1299 155.738,1300 260.16,1301 371.761,1302 12823,1304 13.364,1305 0.668,1306 0.61,1307 13.364,1308 12.198,1309 9.916,1310 0.431,1311 0.358,1312 8.188,1313 9.744,1314 8.03,1315 6.607,1316 9.916,1317 8.236,1318 8.681,1319 0.271,1320 0.203,1321 8.681,1322 6.489,1323 7.831,1324 0.174,1325 0.117,1326 7.831,1327 5.287,1328 6.811,1329 0.112,1330 0.068,1331 6.811,1332 4.148,1333 5.552,1334 0.071,1335 0.04,1336 5.552,1337 3.151,1338 0.353,1339 60.524,1340 0.248,1341 19.529,1342 0.682,1343 110,1344 191.978,1345 114.135,1346 193.906,1347 283.5,1348 186,1349 132,1350 221.437,1351 136.663,1352 226.814,1353 336.89,1354 217,1355 6.469} {0 CHEMBL7318,1 1.35,2 7.636,3 4.312,4 18.591,5 91.919,6 6.692,7 0.667,8 3.857,9 3.985,10 3.345,11 3.41,12 4.879,13 3.366,14 4.386,15 4.582,16 3.656,17 3.788,18 5.3,19 3.725,20 4.549,21 4.744,22 3.696,23 3.938,24 5.436,25 3.833,26 4.714,27 4.966,28 3.655,29 3.967,30 5.497,31 3.832,32 4.688,33 4.941,34 3.682,35 3.946,36 5.482,37 3.818,38 4.645,39 4.863,40 3.664,41 3.949,42 5.504,43 3.826,44 4.718,45 4.966,46 3.472,47 3.896,48 5.55,49 3.731,50 4.639,51 4.932,52 3.166,53 3.679,54 5.397,55 3.472,56 0.047,57 0.61,58 10.057,59 4.161,60 9.268,61 5.778,62 0.17,63 0.98,64 18.03,65 6.589,66 16.928,67 9.336,68 0.13,69 1.142,70 20.876,71 8.501,72 18.326,73 11.957,74 0.173,75 1.291,76 25.219,77 9.752,78 21.662,79 14.126,80 0.23,81 1.255,82 24.595,83 9.645,84 20.977,85 13.903,86 0.162,87 1.222,88 23.314,89 9.172,90 21.043,91 13.016,92 0.272,93 1.281,94 25.659,95 9.316,96 28.214,97 13.542,98 0.179,99 1.081,100 23.988,101 9.194,102 28.005,103 13.186,104 16,105 33,106 0.235,107 0.561,108 0.723,109 0.802,110 0.813,111 0.813,112 3.148,113 0.947,114 -4.58,115 -4.51,116 -4.24,119 43.2,121 1,124 3,125 1,140 8,141 3,142 1,150 2,169 10,172 3,176 4,178 11,182 3,186 5,189 11,193 2,197 2,199 10,203 3,206 2,208 1,211 11,215 4,222 8,225 1,226 5,233 4,237 3,244 1,249 1,259 678,260 15.008,261 15.008,262 15.008,263 15.008,264 15.008,265 13.19,266 11.055,267 8.981,268 15.35,269 11.813,270 11.813,271 11.813,272 11.813,273 11.813,274 9.009,275 10.948,276 4.227,277 12.26,278 4.11,279 2.23,280 1.296,281 0.841,282 0.779,283 0.779,284 3.829,288 1,289 1,290 354,291 3,294 44.196,295 116.049,298 84.39,302 1.215,303 8.312,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46,315 168,316 4.682,317 3.335,318 6.862,319 4.243,320 3.26,321 4.627,322 0.86,323 11.483,324 3.205,325 4.042,326 2.82,327 6.014,328 3.629,329 2.646,330 3.637,331 0.8,332 8.543,333 2.604,334 3.656,335 2.585,336 5.282,337 3.261,338 2.307,339 3.093,341 6.615,342 2.2,343 3.383,344 2.469,345 5.156,346 3.122,347 2.2,348 2.704,350 6.038,351 2.025,352 3.169,353 2.075,354 4.631,355 2.864,356 1.899,357 2.355,359 5.045,360 1.821,361 3.081,362 1.664,363 4.505,364 2.619,365 1.637,366 2.182,368 4.287,369 1.606,370 2.612,371 1.248,372 3.731,373 2.16,374 1.169,375 1.662,377 2.877,378 1.157,379 2.5,380 1.129,381 3.443,382 2,383 1,384 1.5,386 2.221,387 1,388 2.271,389 1,390 3.247,391 1.872,392 0.908,393 1.194,395 2.136,396 0.872,397 1.739,398 0.899,399 3.009,400 1.479,401 0.567,402 0.645,404 1.1,405 0.51,406 1.468,407 0.435,408 2.781,409 1.202,410 0.279,411 0.326,413 0.516,414 0.257,415 0.9,416 -0.131,417 2.479,418 0.561,419 -0.398,420 -0.482,422 -0.915,423 -0.378,424 0.661,425 -0.588,426 2.318,427 0.224,428 -0.746,429 -1,431 -1.695,432 -0.718,433 0.62,434 -0.6,435 2.104,436 0.152,437 -0.838,438 -1.001,440 -2,441 -0.824,442 0.5,443 -0.69,444 1.858,446 -1,447 -1.117,449 -2.347,450 -0.9,451 10.633,452 0.483,453 0.486,454 0.022,455 28.25,456 1.284,457 14.5,458 0.659,459 13.75,460 0.625,461 16.801,462 0.764,463 23.567,464 0.536,465 19.447,466 0.884,467 5.856,468 0.266,469 4.83,470 0.22,471 0.141,473 0.32,479 0.963,480 1.307,481 0.896,482 1.112,483 0.966,484 1.012,485 1.521,486 0.856,487 0.941,488 0.756,489 1.017,490 0.782,491 0.982,492 1.194,493 1.071,494 1.146,495 0.965,496 1.122,497 0.816,498 1.019,499 0.945,500 0.982,501 0.9,502 0.971,503 0.598,504 0.93,505 0.846,506 0.933,507 0.684,508 0.913,509 1.063,510 1.202,511 1.087,512 1.144,513 1.013,514 1.124,515 1.18,516 1.112,517 1.276,518 1.173,519 1.21,520 1.216,521 0.981,522 1.013,523 1.004,524 1.078,525 0.979,526 1.052,527 4,528 0.012,529 2.222,530 1.514,531 1.174,532 0.768,533 0.578,534 0.34,535 0.181,536 0.057,537 4383,538 9484,539 2.07,540 50,542 19,545 1,547 2,550 1.654,551 1.941,552 2.949,553 -0.399,555 1,559 59.397,560 1.35,561 3.23,562 4.164,563 4.618,564 4.681,565 4.681,566 2.422,567 3.845,568 4.425,569 3.099,570 715.931,571 7.653,572 7813.55,574 1,576 1,577 240.215,578 1.395,579 4.392,580 0.167,581 0.012,582 0.067,583 0.046,584 0.038,585 0.024,586 0.019,587 0.015,588 0.011,589 0.008,590 0.407,591 0.67,592 1,593 1.315,594 99.149,595 0.021,596 -0.145,597 0.065,598 -0.056,599 -0.019,600 -0.001,601 -0.18,602 0.252,603 0.065,604 0.229,605 0.011,606 0.182,607 -0.074,608 -0.137,609 -0.113,610 -0.123,611 -0.065,612 -0.123,613 -0.018,614 -0.017,615 0.019,616 0.001,617 -0.038,618 0.013,619 0.197,620 0.067,621 0.12,622 0.053,623 0.148,624 0.074,625 -0.076,626 -0.178,627 -0.118,628 -0.143,629 -0.062,630 -0.138,631 -0.08,632 -0.091,633 -0.29,634 -0.221,635 -0.171,636 -0.263,637 0.016,638 -0.123,639 -0.024,640 -0.115,641 0.079,642 -0.078,643 0.766,644 1.894,645 0.682,646 17.24,647 0.986,648 1.122,649 3.353,650 11.24,651 0.661,652 3.219,653 3.526,654 3.807,655 4.111,656 4.394,657 4.522,658 4.663,659 4.762,660 4.691,661 4.575,662 4.96,663 0.614,664 294.43,665 3.219,666 4.745,667 5.595,668 6.479,669 7.362,670 8.261,671 9.16,672 10.067,673 10.974,674 11.885,675 4.5,678 1,683 1,687 2,688 8,690 1,693 4,695 16,712 1,714 44,716 16,717 2,718 24,720 46,721 19,722 14,723 4,724 8,730 3,731 4,743 1,745 14,746 5,761 1,764 22,765 2,766 1,767 3,773 2,777 0.667,778 1,788 1,792 1,793 2,796 1,815 1,819 2,823 3,827 22,833 2,835 1,838 1,847 2.3,852 1,854 11.333,855 8.783,856 4.944,857 2.514,858 3.113,859 1.451,860 0.991,861 4.39,862 10.018,863 3.497,864 4.123,865 4.774,866 5.442,867 6.048,868 6.438,869 6.917,870 7.36,871 7.571,872 7.798,873 1,874 33,875 8.1,877 3.292,878 7.455,879 15.933,881 12.835,883 1.955,884 43,885 0.001,887 1,888 247.193,889 127.214,890 19.91,892 11,895 127.214,896 258.193,897 19.91,898 27.676,899 4.64,900 75.81,902 45.097,903 4.901,904 247.193,906 247.193,907 147.124,908 11,911 223.651,912 34.542,915 24.55,916 122.574,919 247.193,920 30.91,921 127.214,924 247.193,925 23.729,926 106.61,927 16.786,928 11,929 247.193,930 30.91,931 127.214,933 0.57,934 0.324,935 0.181,936 0.113,937 16,938 7,939 0.109,940 5,941 1,942 1.133,943 3.365,944 174.979,945 0.133,946 15,947 92.107,951 14.98,952 6.447,953 3.147,954 2.411,955 14.124,956 16.748,958 3.581,961 4.697,963 16.786,964 405.317,965 32,975 43.367,976 49.358,977 0.247,978 0.592,979 0.763,980 0.846,981 0.857,982 0.857,983 4.71,984 1,985 5.572,986 2.877,987 4.205,988 4.808,989 1.235,990 6.392,991 4.142,992 5.919,993 0.908,994 7.13,995 2.221,996 3.761,997 4.62,998 0.325,999 7.334,1000 3.663,1001 7.228,1002 0.567,1003 8.793,1004 2.136,1005 5.79,1006 7.079,1007 0.938,1008 10.469,1009 5.684,1010 8.58,1011 0.279,1012 10.52,1013 1.1,1014 6.196,1015 7.786,1016 0.268,1017 12.302,1018 6.064,1019 9.97,1020 -0.398,1021 12.291,1022 0.516,1023 7.692,1024 9.698,1025 0.732,1026 14.967,1027 7.557,1028 11.39,1029 -0.746,1030 14.093,1031 -0.915,1032 8.506,1033 10.839,1034 0.188,1035 17.164,1036 8.353,1037 12.832,1038 -0.838,1039 15.919,1040 -1.695,1041 9.792,1042 12.523,1043 0.57,1044 19.676,1045 9.633,1046 3.26,1047 -1,1048 17.764,1049 -2,1050 10.803,1051 13.874,1052 0.125,1053 22.019,1054 10.628,1055 2.646,1056 11.483,1057 19.623,1058 -2.347,1059 12.01,1060 15.462,1061 0.438,1062 24.481,1063 11.826,1064 2.307,1065 8.543,1066 21.493,1067 4.627,1068 13.112,1069 16.911,1070 0.082,1071 26.881,1072 12.912,1073 2.2,1074 6.615,1075 23.373,1076 3.637,1077 14.293,1078 18.461,1079 0.334,1080 29.326,1081 14.081,1082 1.899,1083 6.038,1084 25.26,1085 3.093,1086 15.437,1087 19.954,1088 0.054,1089 31.75,1090 15.208,1091 1.637,1092 5.045,1093 27.154,1094 2.704,1095 16.612,1096 21.491,1097 0.252,1098 34.191,1099 16.369,1100 1.169,1101 4.287,1102 29.053,1103 2.355,1104 17.774,1105 23.004,1106 0.035,1107 36.623,1108 17.515,1109 4379,1110 6528,1111 16.008,1112 29.08,1113 35.874,1114 36.019,1115 36.822,1116 35.726,1117 35.742,1118 47.853,1119 3.32,1120 101.722,1121 34.513,1122 5.523,1123 5.335,1124 6.664,1125 5.253,1126 5.26,1127 7.627,1128 1.72,1129 18.831,1130 5.205,1131 10.246,1132 1.495,1133 1.501,1134 1.534,1135 1.489,1136 1.489,1137 1.994,1138 0.138,1139 4.238,1140 1.438,1141 4.161,1142 4.19,1143 4.126,1144 4.084,1145 5.004,1146 4.091,1147 3.841,1148 3.87,1149 3.772,1150 3.786,1151 4.745,1152 3.779,1153 3.656,1154 3.74,1155 3.515,1156 3.466,1157 4.563,1158 3.467,1159 3.455,1160 3.5,1161 3.356,1162 3.262,1163 4.316,1164 3.275,1165 3.197,1166 3.279,1167 3.008,1168 2.974,1169 4.02,1170 2.972,1171 3.068,1172 3.161,1173 2.862,1174 2.857,1175 3.778,1176 2.844,1177 2.874,1178 3.009,1179 2.687,1180 2.735,1181 3.674,1182 2.715,1183 2.854,1184 2.925,1185 2.667,1186 2.716,1187 3.523,1188 2.695,1189 0.195,1190 0.139,1191 0.286,1192 0.177,1193 0.136,1194 4.682,1195 0.193,1196 3.335,1197 0.036,1198 6.862,1199 0.478,1200 4.243,1201 0.134,1202 3.26,1203 4.627,1204 0.86,1205 11.483,1206 3.205,1207 1.944,1208 1.926,1209 2.042,1210 2.025,1211 1.267,1212 2.025,1213 1.913,1214 1.885,1215 2.013,1216 2.008,1217 1.105,1218 2.017,1219 1.653,1220 1.586,1221 1.883,1222 1.87,1223 1.044,1224 1.881,1225 1.418,1226 1.346,1227 1.65,1228 1.627,1229 0.77,1230 1.634,1231 1.236,1232 1.172,1233 1.576,1234 1.541,1235 0.58,1236 1.553,1237 1.072,1238 0.982,1239 1.417,1240 1.322,1241 0.506,1242 1.354,1243 0.934,1244 0.821,1245 1.372,1246 1.239,1247 0.469,1248 1.308,1249 0.886,1250 0.804,1251 1.181,1252 1.062,1253 0.236,1254 1.107,1255 3.892,1257 5.198,1258 2.398,1259 6.706,1260 4.844,1261 8.307,1262 7.05,1263 9.964,1265 5.931,1271 2.022,1273 5.394,1276 2.216,1280 27.026,1281 59.397,1282 142.109,1283 183.195,1284 203.195,1285 205.95,1286 205.95,1287 25.265,1288 6.905,1289 28.26,1290 28.26,1291 17,1292 12.401,1293 4.087,1294 3.17,1295 34.086,1296 62,1297 67,1298 0.269,1299 167.938,1300 279.79,1301 401.528,1302 7719,1304 15.527,1305 0.706,1306 0.609,1307 15.527,1308 13.388,1309 10.686,1310 0.445,1311 0.316,1312 7.476,1313 10.348,1314 7.159,1315 6.039,1316 10.686,1317 7.575,1318 9.444,1319 0.286,1320 0.176,1321 9.444,1322 5.809,1323 7.742,1324 0.176,1325 0.091,1326 7.742,1327 3.985,1328 6.447,1329 0.107,1330 0.047,1331 6.447,1332 2.8,1333 5.56,1334 0.069,1335 0.026,1336 5.56,1337 2.043,1338 0.402,1339 66.42,1340 0.25,1341 21.232,1342 0.803,1343 114,1344 273.714,1345 120.348,1346 270.441,1347 379.74,1348 256,1349 134,1350 283.207,1351 140.988,1352 295.834,1353 428.45,1354 275,1355 5.206} {0 CHEMBL73190,1 1.252,2 7.667,3 2.745,4 7.536,5 63.313,6 6.131,7 0.375,8 3.548,9 3.695,10 2.955,11 3.101,12 4.457,13 3.031,14 4.107,15 4.327,16 3.215,17 3.467,18 4.934,19 3.353,20 4.307,21 4.582,22 3.05,23 3.513,24 5.041,25 3.341,26 4.209,27 4.486,28 2.936,29 3.405,30 4.918,31 3.215,32 4.143,33 4.441,34 2.857,35 3.279,36 4.877,37 3.1,38 3.946,39 4.221,40 2.578,41 3.118,42 4.65,43 2.919,44 3.824,45 4.148,46 2.233,47 2.864,48 4.354,49 2.617,50 3.485,51 3.802,52 2.057,53 2.526,54 4.096,55 2.333,56 0.042,57 0.472,58 7.988,59 3.17,60 5.122,61 4.694,62 0.116,63 0.753,64 13.935,65 5.227,66 10.724,67 7.832,68 0.124,69 0.829,70 16.675,71 6.148,72 14.946,73 9.321,74 0.076,75 0.734,76 14.831,77 6.019,78 12.75,79 8.875,80 0.096,81 0.678,82 13.987,83 5.105,84 14.445,85 7.796,86 0.076,87 0.563,88 11.464,89 4.351,90 10.048,91 6.546,92 0.054,93 0.449,94 9.829,95 3.922,96 6.431,97 5.822,98 0.061,99 0.333,100 7.166,101 2.338,102 5.764,103 3.719,104 4,105 20,106 0.238,107 0.58,108 0.784,109 0.807,110 0.83,111 0.83,112 2.792,113 1.075,114 -4.07,115 -4.02,116 -3.8,119 39.4,120 1,121 3,125 2,140 4,141 2,156 1,169 10,172 1,174 1,176 1,178 12,182 1,186 1,189 10,193 2,197 2,199 6,203 2,208 2,211 4,215 1,220 1,222 2,226 1,231 1,233 1,237 1,242 1,249 1,254 1,259 219,260 10.439,261 10.439,262 10.439,263 10.439,264 10.439,265 9.431,266 13.273,267 6.56,268 10.575,269 7.898,270 7.898,271 7.898,272 7.898,273 7.898,274 6.388,275 13.354,276 3.079,277 8.113,278 3.793,279 2.003,280 0.932,281 0.811,282 0.69,283 0.69,284 3.446,288 1,289 1,290 241,291 2.121,294 43.212,295 48.747,302 1.556,303 6.592,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 31,315 115,316 4.084,317 3.215,318 5.619,319 3.714,320 2.731,321 3.655,322 1.505,323 7.795,324 2.694,325 3.829,326 2.766,327 5.333,328 3.446,329 2.482,330 3.126,331 0.368,332 6.948,333 2.391,334 3.407,335 2.388,336 4.96,337 3.064,338 2.084,339 2.668,340 0.265,341 5.882,342 2.031,343 2.5,344 1.467,345 3.442,346 2.186,347 1.208,348 1.5,350 2.59,351 1.18,352 2.268,353 1.138,354 3.414,355 2.052,356 1.065,357 1.254,359 2.275,360 1.05,361 2.164,362 1.082,363 3.156,364 2,365 1,366 1.135,368 1.888,369 1,370 1.77,371 1,372 3,373 1.518,374 0.618,375 0.666,377 1.372,378 0.556,379 1.312,380 0.425,381 2.633,382 1.086,383 0.096,384 0.111,386 0.199,387 0.095,388 0.701,389 -0.15,390 2,391 0.532,392 -0.458,393 -0.505,395 -0.902,396 -0.453,397 0.5,398 -0.756,399 1.878,400 0.042,401 -0.952,402 -1.093,404 -1.988,405 -0.945,406 0.286,407 -1,408 1.43,410 -1,411 -1.5,413 -3,414 -1,415 -0.299,416 -1.054,417 1,418 -0.53,419 -1.504,420 -1.583,422 -3.383,423 -1.456,424 -0.446,425 -1.252,426 0.934,427 -0.718,428 -1.618,429 -1.828,431 -4.372,432 -1.457,433 -0.5,434 -1.498,435 0.586,436 -0.788,437 -1.777,438 -2.184,439 -0.199,440 -4.49,441 -1.755,442 -0.683,443 -1.633,444 0.385,445 -1,446 -1.975,447 -2.421,448 -0.795,449 -5.275,450 -1.93,451 7.3,452 0.487,453 0.205,454 0.014,455 16.5,456 1.1,457 7.5,458 0.5,459 9,460 0.6,461 10.99,462 0.733,463 16.7,464 0.506,465 8.52,466 0.568,467 3.131,468 0.209,469 4.25,470 0.283,471 0.068,473 0.205,479 1.016,480 1.335,481 1.009,482 1.161,483 0.986,484 1.097,485 1.067,486 1.116,487 1.054,488 1.08,489 1.051,490 1.068,491 1.295,492 0.917,493 1.112,494 0.98,495 1.305,496 1.023,497 0.533,498 1.137,499 0.956,500 1.134,501 0.669,502 1.086,503 0.975,504 0.963,505 0.904,506 0.916,507 0.988,508 0.906,509 1.057,510 1.116,511 1.176,512 1.174,513 1.282,514 1.182,515 0.436,516 0.981,517 0.851,518 1.004,519 0.622,520 0.966,521 1.424,522 0.911,523 0.991,524 0.858,525 1.198,526 0.886,527 2.5,528 0.02,529 0.889,530 0.472,531 0.417,532 0.202,533 0.19,534 0.077,535 0.031,536 0.025,537 1775,538 3225,539 2.071,540 54.5,541 7,542 8,545 1,546 2,550 1.522,551 2,552 2.968,553 -0.33,557 1,559 41.301,560 1.252,561 3.041,562 4.112,563 4.234,564 4.355,565 4.355,566 2.556,567 3.006,568 3.874,569 3.081,570 323.5,571 6.457,572 2692.47,574 1,577 166.465,578 1.053,579 3.867,580 0.156,581 0.01,582 0.044,583 0.03,584 0.03,585 0.016,586 0.021,587 0.013,588 0.006,589 0.006,590 0.332,591 0.83,592 1,593 1.042,594 59.938,595 0.018,596 -0.094,597 0.044,598 -0.015,599 0.008,600 0.012,601 0.099,602 0.005,603 -0.03,604 -0.042,605 0.014,606 -0.045,607 -0.213,608 0.095,609 -0.128,610 -0.005,611 -0.222,612 -0.051,613 0.09,614 -0.194,615 -0.013,616 -0.121,617 0.143,618 -0.082,619 0.011,620 -0.016,621 0.063,622 0.037,623 0.068,624 0.051,625 -0.139,626 -0.137,627 -0.211,628 -0.192,629 -0.28,630 -0.205,631 0.133,632 -0.138,633 0.061,634 -0.048,635 0.052,636 -0.007,637 -0.112,638 0.023,639 -0.011,640 0.027,641 -0.125,642 0.017,643 0.566,644 1.395,645 0.733,646 10.507,647 0.978,648 1.131,649 2.838,650 8.057,651 0.639,652 2.833,653 3.045,654 3.219,655 3.401,656 3.434,657 3.367,658 3.434,659 3.367,660 3.219,661 3.045,662 4.63,663 0.584,664 202.33,665 2.833,666 4.29,667 5.081,668 5.9,669 6.708,670 7.532,671 8.347,672 9.172,673 9.99,674 10.816,675 6.1,677 1,684 1,688 4,693 2,695 6,714 33,716 7,717 1,718 16,720 34,721 13,722 6,723 2,724 4,730 2,731 2,736 1,743 3,745 7,746 6,750 1,758 1,759 1,761 1,764 18,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 1,827 15,833 5,834 1,854 7.5,855 6.033,856 3.5,857 2.268,858 1.412,859 1.251,860 0.962,861 3.517,862 7.051,863 3.045,864 3.512,865 3.937,866 4.393,867 4.788,868 4.768,869 5,870 5.154,871 5.062,872 4.925,873 1,874 16,875 5.557,876 -0.001,877 2.212,878 7.367,879 11.152,881 8.924,883 1.867,884 28,885 0.011,888 200.109,889 67.244,890 34.796,895 67.244,896 200.109,897 34.796,898 8.825,899 11.815,900 55.916,901 2.328,902 23.157,904 200.109,906 200.109,907 102.041,911 200.109,915 55.436,916 46.604,919 200.109,920 34.796,921 67.244,924 200.109,925 20.514,926 46.73,927 18.011,928 16.786,929 200.109,930 34.796,931 67.244,933 0.547,934 0.306,935 0.168,936 0.08,937 9,938 3,939 0.118,940 4,942 1,943 2.893,944 89.74,946 11,947 54.603,951 10.377,952 5.083,953 2.901,955 34.796,956 8.893,961 2.783,963 18.011,964 302.149,965 20,973 4.395,974 1.137,975 32.272,976 37.318,977 0.248,978 0.603,979 0.815,980 0.839,981 0.863,982 0.863,983 4.212,984 0.096,985 4.99,986 1.372,987 3.714,988 4.19,989 1.696,990 5.652,991 3.665,992 5.344,993 -0.458,994 6.444,995 0.199,996 2.944,997 3.689,998 0.904,999 6.188,1000 2.883,1001 6.594,1002 -0.952,1003 7.99,1004 -0.902,1005 5.153,1006 6.209,1007 2.113,1008 9.213,1009 5.062,1010 7.88,1011 -1,1012 9.59,1013 -1.988,1014 5.252,1015 6.529,1016 1.864,1017 10.566,1018 5.135,1019 9.198,1020 -1.504,1021 11.222,1022 -3,1023 6.828,1024 8.477,1025 2.717,1026 13.01,1027 6.699,1028 10.533,1029 -1.618,1030 12.876,1031 -3.383,1032 7.34,1033 9.17,1034 2.755,1035 14.702,1036 7.183,1037 11.881,1038 -1.777,1039 14.544,1040 -4.372,1041 8.623,1042 10.86,1043 3.416,1044 16.921,1045 8.46,1046 2.731,1047 -1.975,1048 16.221,1049 -4.49,1050 9.35,1051 11.759,1052 3.615,1053 18.778,1054 9.162,1055 2.482,1056 7.795,1057 17.904,1058 -5.275,1059 10.489,1060 13.309,1061 4.169,1062 20.898,1063 10.294,1064 2.084,1065 6.948,1066 19.591,1067 3.655,1068 11.333,1069 14.337,1070 4.458,1071 22.841,1072 11.116,1073 1.208,1074 5.882,1075 21.282,1076 3.126,1077 12.398,1078 15.8,1079 4.951,1080 24.915,1081 12.175,1082 1.065,1083 2.59,1084 22.976,1085 2.668,1086 13.307,1087 16.913,1088 5.291,1089 26.903,1090 13.065,1091 1,1092 2.275,1093 24.672,1094 1.5,1095 14.335,1096 18.321,1097 5.749,1098 28.959,1099 14.086,1100 0.618,1101 1.888,1102 26.37,1103 1.254,1104 15.281,1105 19.492,1106 6.119,1107 30.971,1108 15.016,1109 1805,1110 2496,1111 10.92,1112 21.103,1113 22.667,1114 22.826,1115 23.114,1116 22.531,1117 22.568,1118 28.23,1119 4.277,1120 57.898,1121 21.993,1122 4.976,1123 5.215,1124 5.39,1125 4.718,1126 4.731,1127 6.655,1128 2.65,1129 13.334,1130 4.694,1131 4.754,1132 1.417,1133 1.427,1134 1.445,1135 1.408,1136 1.41,1137 1.764,1138 0.267,1139 3.619,1140 1.375,1141 3.973,1142 4.011,1143 3.901,1144 3.908,1145 4.794,1146 3.901,1147 3.761,1148 3.831,1149 3.666,1150 3.572,1151 4.646,1152 3.586,1153 3.526,1154 3.601,1155 3.341,1156 3.387,1157 4.088,1158 3.367,1159 3.134,1160 3.211,1161 2.945,1162 3,1163 3.685,1164 2.977,1165 2.854,1166 2.925,1167 2.687,1168 2.735,1169 3.674,1170 2.715,1171 2.805,1172 2.913,1173 2.558,1174 2.616,1175 3.515,1176 2.588,1177 2.551,1178 2.698,1179 2.299,1180 2.223,1181 3.273,1182 2.2,1183 2.432,1184 2.536,1185 2.173,1186 2.186,1187 2.994,1188 2.185,1189 0.255,1190 0.201,1191 0.351,1192 0.232,1193 0.171,1194 4.084,1195 0.228,1196 3.215,1197 0.094,1198 5.619,1199 0.487,1200 3.714,1201 0.168,1202 2.731,1203 3.655,1204 1.505,1205 7.795,1206 2.694,1207 1.951,1208 1.923,1209 2.081,1210 2.031,1211 1.289,1212 2.05,1213 1.598,1214 1.533,1215 1.864,1216 1.777,1217 1.082,1218 1.808,1219 1.445,1220 1.363,1221 1.73,1222 1.681,1223 1.004,1224 1.704,1225 1.379,1226 1.307,1227 1.591,1228 1.6,1229 0.754,1230 1.602,1231 0.968,1232 0.882,1233 1.31,1234 1.213,1235 0.444,1236 1.252,1237 0.886,1238 0.821,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.667,1244 0.546,1245 1.08,1246 0.979,1247 0.206,1248 1.029,1249 0.329,1250 0.207,1251 0.815,1252 0.628,1254 0.699,1255 3.497,1257 4.727,1258 2.398,1259 6.142,1260 4.443,1261 7.641,1262 6.26,1263 9.183,1265 2.213,1271 5.284,1272 3.295,1280 19.257,1281 41.301,1282 100.359,1283 135.71,1284 139.71,1285 143.71,1286 143.71,1287 15.657,1288 5.638,1289 24.39,1290 24.39,1291 11,1292 11.394,1293 3,1294 2.322,1295 23.82,1296 41,1297 42,1298 0.293,1299 122.563,1300 209.28,1301 290.814,1302 1592,1304 10.51,1305 0.701,1306 0.619,1307 10.51,1308 9.292,1309 7.381,1310 0.461,1311 0.358,1312 5.694,1313 7.241,1314 5.52,1315 4.638,1316 7.381,1317 5.733,1318 6.062,1319 0.303,1320 0.2,1321 6.062,1322 3.998,1323 4.805,1324 0.2,1325 0.112,1326 4.805,1327 2.677,1328 3.882,1329 0.134,1330 0.065,1331 3.882,1332 1.871,1333 2.629,1334 0.088,1335 0.037,1336 2.629,1337 1.106,1338 0.457,1339 45.196,1340 0.303,1341 15.599,1342 0.798,1343 72,1344 151.978,1345 75.497,1346 153.249,1347 214.75,1348 146,1349 80,1350 157.803,1351 83.358,1352 162.531,1353 233.48,1354 154,1355 5.624} {0 CHEMBL73281,1 1.211,2 6.188,3 3.263,4 10.647,5 70.115,6 5.747,7 0.375,8 3.65,9 3.811,10 2.956,11 3.186,12 4.665,13 3.096,14 4.178,15 4.412,16 3.332,17 3.584,18 5.072,19 3.469,20 4.417,21 4.612,22 3.386,23 3.817,24 5.368,25 3.667,26 4.732,27 5.032,28 3.323,29 3.877,30 5.448,31 3.663,32 4.628,33 4.921,34 3.262,35 3.749,36 5.472,37 3.545,38 4.54,39 4.833,40 2.637,41 3.547,42 5.428,43 3.269,44 4.527,45 4.956,46 2.128,47 3.153,48 4.873,49 2.752,50 3.562,51 3.902,52 2.212,53 2.479,54 4.519,55 2.298,56 0.052,57 0.518,58 9.247,59 3.74,60 10.577,61 5.531,62 0.097,63 0.794,64 14.894,65 6.366,66 18.142,67 9.163,68 0.11,69 1.034,70 19.435,71 7.936,72 23.1,73 11.688,74 0.123,75 1.171,76 24.316,77 10.074,78 23.545,79 14.786,80 0.126,81 1.075,82 22.257,83 8.482,84 29.594,85 12.875,86 0.175,87 0.949,88 20.615,89 6.838,90 40.662,91 10.916,92 0.111,93 0.679,94 17.369,95 6.604,96 21.203,97 10.002,98 0.058,99 0.337,100 7.421,101 2.147,102 14.726,103 3.679,104 55,105 24,106 0.225,107 0.533,108 0.677,109 0.677,110 0.677,111 0.677,112 2.853,113 1.059,114 -4.72,115 -4.64,116 -4.36,119 36.8,120 5,121 1,123 1,140 2,141 4,156 1,161 1,162 1,163 1,169 13,175 1,176 2,177 1,178 20,180 1,186 2,189 19,191 1,197 4,199 13,201 2,208 8,211 10,213 4,220 2,222 3,224 1,231 2,235 1,242 6,246 3,259 206,260 9.472,261 9.472,262 9.472,263 9.472,264 9.472,265 8.474,266 13.885,267 5.34,268 9.529,269 7.869,270 7.869,271 7.869,272 7.869,273 7.869,274 6.354,275 16.595,276 2.526,277 7.958,278 4.037,279 2.375,280 1.6,281 1.6,282 1.6,283 1.6,284 3.457,288 1,289 1,290 188,291 3.464,295 55.486,302 1.336,303 10.228,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 33,315 99,316 4.538,317 3.57,318 7.128,319 4.345,320 3.345,321 4.141,322 1.404,323 11.757,324 3.345,325 4.165,326 3.22,327 6.394,328 3.916,329 2.918,330 3.415,331 0.202,332 9.672,333 2.913,334 3.485,335 2.685,336 4.879,337 3.067,338 2.116,339 2.65,341 5.363,342 2.011,343 3.232,344 2.147,345 4.774,346 2.879,347 1.879,348 2.481,350 5.225,351 1.879,352 2.896,353 1.649,354 4.511,355 2.536,356 1.543,357 1.998,359 4.48,360 1.53,361 1.67,362 1.015,363 3.294,364 1.462,365 0.475,366 0.531,368 1.204,369 0.468,370 1,371 -0.11,372 2.653,373 0.653,374 -0.347,375 -0.445,377 -0.898,378 -0.347,379 0.666,380 -0.189,381 2.569,382 0.221,383 -0.759,384 -0.856,386 -2,387 -0.743,388 0.288,389 -0.432,390 2,392 -1,393 -1,395 -2.029,396 -0.9,397 0.159,398 -0.654,399 2,401 -1,402 -1,404 -2.813,405 -1,407 -1,408 2,410 -1,411 -1.146,413 -3,414 -1,416 -1,417 1.468,418 -0.1,419 -1,420 -1.436,422 -3,423 -1,424 -0.232,425 -1.248,426 1.232,427 -0.532,428 -1.532,429 -1.971,431 -4.493,432 -1.532,433 -0.5,434 -1.357,435 1.098,436 -0.75,437 -1.746,438 -2.036,440 -5.573,441 -1.739,442 -0.623,443 -1.595,444 1,445 -0.897,446 -1.893,447 -2.324,448 -0.565,449 -6.834,450 -1.886,451 7.8,452 0.488,453 0.786,454 0.049,455 16,456 1,457 7.5,458 0.469,459 8.5,460 0.531,461 16.406,462 1.025,463 18.6,464 0.489,465 9.672,466 0.605,467 2.896,468 0.181,469 4.318,470 0.27,471 0.423,472 0.064,473 0.321,479 1.24,480 1.17,481 1.162,482 1.149,483 1.326,484 1.15,485 0.379,486 0.849,487 0.738,488 0.863,489 0.315,490 0.831,491 1.232,492 1.336,493 1.443,494 1.437,495 1.255,496 1.451,497 0.449,498 1.027,499 0.904,500 1.054,501 0.458,502 1.017,503 0.661,504 1.238,505 0.963,506 1.151,507 0.546,508 1.089,509 1.924,510 1.296,511 1.61,512 1.402,513 2.004,514 1.47,515 0.203,516 0.412,517 0.34,518 0.401,519 0.223,520 0.383,521 0.984,522 1.254,523 0.643,524 0.853,525 0.856,526 0.746,527 6,529 2.444,530 1.5,531 1.644,532 0.472,533 0.202,534 0.188,537 1466,538 2932,539 1.751,540 57.9,541 15,542 2,545 3,546 2,550 1.556,551 1.536,552 2.624,553 1.127,555 1,556 1,557 1,559 46.011,560 1.211,561 2.873,562 3.648,563 3.648,564 3.648,565 3.648,566 2.174,567 2.858,568 3.969,569 2.793,570 335.167,571 6.707,572 2890.65,573 1,574 1,576 1,577 199.421,578 1.749,579 3.82,580 0.375,582 0.102,583 0.065,584 0.078,585 0.025,586 0.034,587 0.038,590 0.716,591 0.83,592 1,593 1.397,594 63.444,595 -0.156,596 0.15,597 -0.024,598 0.083,599 -0.266,600 0.046,601 0.301,602 0.273,603 0.291,604 0.281,605 0.319,606 0.285,607 -0.289,608 -0.114,609 -0.364,610 -0.265,611 -0.271,612 -0.31,613 0.086,614 -0.083,615 0.034,616 -0.031,617 0.046,618 -0.007,619 0.127,620 -0.268,621 0.002,622 -0.148,623 0.225,624 -0.093,625 -0.462,626 -0.272,627 -0.597,628 -0.476,629 -0.474,630 -0.534,631 0.3,632 0.218,633 0.459,634 0.381,635 0.214,636 0.422,637 0.391,638 -0.377,639 0.321,640 -0.013,641 0.533,642 0.122,643 1.435,644 2.379,645 0.375,646 9.875,647 0.975,648 1.135,649 3.494,650 12.208,651 0.622,652 2.833,653 3.219,654 3.296,655 3.466,656 3.664,657 3.466,658 3.434,659 2.944,660 1.609,662 4.057,663 0.561,664 218.38,665 2.833,666 4.394,667 5.198,668 6.098,669 6.94,670 7.832,671 8.69,672 9.576,673 10.443,674 11.326,675 5.3,676 1,684 1,688 2,693 4,695 6,714 38,716 7,717 1,718 16,720 38,721 14,722 6,723 4,724 2,730 1,731 1,736 5,737 1,743 1,745 7,746 7,750 1,754 1,759 1,761 1,764 22,765 2,766 3,767 2,773 2,774 1,777 1,793 1,812 1,819 1,823 5,827 16,828 1,833 1,839 1,854 10.417,855 8.25,856 3.389,857 2.167,858 1.33,859 1.244,860 0.901,861 3.542,862 6.79,863 3.045,864 3.651,865 4.047,866 4.555,867 5.055,868 5.104,869 5.183,870 4.808,871 3.841,873 1,874 23,875 5.89,877 2.314,878 7.63,879 11.481,881 9.075,883 2.13,884 34.083,885 0.004,888 223.651,889 80.683,890 64.569,895 80.683,896 223.651,897 64.569,898 44.126,899 35.432,900 18.952,901 2.328,902 44.414,904 223.651,906 223.651,907 145.252,911 223.651,915 111.23,916 34.023,919 223.651,920 64.569,921 80.683,924 223.651,925 17.605,926 63.079,928 64.569,929 223.651,930 64.569,931 80.683,933 0.609,934 0.312,935 0.151,936 0.098,937 11,938 7,939 0.079,940 3,942 1,943 2.553,944 101.567,946 6,947 48.39,951 12.924,952 4.384,953 3.172,955 64.569,956 4.427,961 5.01,963 64.569,964 368.903,965 20,969 7.379,974 0.231,975 37.04,976 43.149,977 0.231,978 0.547,979 0.695,980 0.695,981 0.695,982 0.695,983 4.324,984 -0.759,985 5.313,986 -0.898,987 3.892,988 4.331,989 1.485,990 6.201,991 3.876,992 5.607,993 -1,994 6.952,995 -2,996 4.007,997 4.511,998 0.904,999 7.545,1000 3.986,1001 6.968,1002 -1,1003 8.703,1004 -2.029,1005 5.652,1006 6.53,1007 1.818,1008 10.495,1009 5.634,1010 8.358,1011 -1,1012 10.517,1013 -2.813,1014 6.431,1015 7.348,1016 1.644,1017 12.539,1018 6.414,1019 9.77,1020 -1,1021 12.369,1022 -3,1023 7.751,1024 9.024,1025 2.298,1026 15.145,1027 7.736,1028 11.199,1029 -1.532,1030 14.246,1031 -3,1032 8.779,1033 10.13,1034 2.343,1035 17.439,1036 8.767,1037 12.641,1038 -1.746,1039 16.142,1040 -4.493,1041 10.002,1042 11.67,1043 2.86,1044 19.936,1045 9.992,1046 3.345,1047 -1.893,1048 18.05,1049 -5.573,1050 11.127,1051 12.922,1052 3.032,1053 22.324,1054 11.118,1055 2.918,1056 11.757,1057 19.969,1058 -6.834,1059 12.323,1060 14.398,1061 3.472,1062 24.787,1063 12.315,1064 2.116,1065 9.672,1066 21.895,1067 4.141,1068 13.486,1069 15.726,1070 3.718,1071 27.214,1072 13.479,1073 1.879,1074 5.363,1075 23.826,1076 3.415,1077 14.675,1078 17.172,1079 4.114,1080 29.669,1081 14.67,1082 1.543,1083 5.225,1084 25.762,1085 2.65,1086 15.856,1087 18.54,1088 4.401,1089 32.112,1090 15.85,1091 0.475,1092 4.48,1093 27.702,1094 2.481,1095 17.046,1096 19.972,1097 4.772,1098 34.566,1099 17.041,1100 -0.347,1101 1.204,1102 29.645,1103 1.998,1104 18.235,1105 21.362,1106 5.083,1107 37.018,1108 18.23,1109 1690,1110 2436,1111 8.959,1112 23.625,1113 24.971,1114 25.045,1115 25.96,1116 24.562,1117 24.555,1118 30.431,1119 3.211,1120 75.402,1121 24.293,1122 5.281,1123 5.57,1124 6.128,1125 5.345,1126 5.345,1127 7.141,1128 2.444,1129 18.818,1130 5.345,1131 11.799,1132 1.561,1133 1.565,1134 1.622,1135 1.535,1136 1.535,1137 1.902,1138 0.201,1139 4.713,1140 1.518,1141 4.017,1142 4.046,1143 3.956,1144 3.97,1145 5.875,1146 3.963,1147 3.66,1148 3.723,1149 3.533,1150 3.547,1151 4.796,1152 3.534,1153 3.458,1154 3.545,1155 3.332,1156 3.244,1157 4.709,1158 3.256,1159 3.266,1160 3.35,1161 3.067,1162 3.125,1163 4.24,1164 3.101,1165 2.941,1166 3.039,1167 2.717,1168 2.767,1169 3.966,1170 2.741,1171 2.874,1172 3.009,1173 2.499,1174 2.618,1175 3.631,1176 2.57,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.467,1182 2.57,1183 2.767,1184 2.897,1185 2.483,1186 2.477,1187 3.467,1188 2.468,1189 0.284,1190 0.223,1191 0.445,1192 0.272,1193 0.209,1194 4.538,1195 0.259,1196 3.57,1197 0.088,1198 7.128,1199 0.735,1200 4.345,1201 0.209,1202 3.345,1203 4.141,1204 1.404,1205 11.757,1206 3.345,1207 2.004,1208 1.98,1209 2.122,1210 2.076,1211 1.347,1212 2.093,1213 1.673,1214 1.618,1215 1.908,1216 1.833,1217 1.109,1218 1.86,1219 1.402,1220 1.324,1221 1.639,1222 1.663,1223 0.719,1224 1.661,1225 1.303,1226 1.226,1227 1.629,1228 1.507,1229 0.704,1230 1.557,1231 0.98,1232 0.887,1233 1.417,1234 1.239,1235 0.469,1236 1.308,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.354,1246 1.214,1247 0.431,1248 1.269,1249 0.745,1250 0.622,1251 1.139,1252 1.096,1254 1.128,1255 3.497,1257 4.86,1259 6.392,1261 8.009,1263 9.675,1265 10.838,1269 5.469,1271 0.558,1277 0.171,1280 21.311,1281 46.011,1282 109.179,1283 138.627,1284 138.627,1285 138.627,1286 138.627,1287 31.544,1288 5.46,1289 49.87,1290 49.87,1291 6,1292 11.863,1293 3,1294 2.322,1295 34.351,1296 41,1297 32,1298 0.48,1299 139.549,1300 238.94,1301 332.259,1302 1032,1304 12.508,1305 0.782,1306 0.684,1307 12.508,1308 10.939,1309 7.214,1310 0.451,1311 0.353,1312 5.632,1313 7.134,1314 5.165,1315 4.48,1316 7.214,1317 5.65,1318 7.782,1319 0.324,1320 0.231,1321 7.782,1322 5.541,1323 4.743,1324 0.182,1325 0.113,1326 4.743,1327 2.929,1328 3.62,1329 0.117,1330 0.061,1331 3.62,1332 1.896,1333 3.149,1334 0.083,1335 0.038,1336 3.149,1337 1.428,1338 0.708,1339 43.863,1340 0.334,1341 15.8,1342 1.45,1343 80,1344 151.645,1345 82.109,1346 162.291,1347 219.62,1348 148,1349 90,1350 161.972,1351 91.332,1352 176.185,1353 245.1,1354 160,1355 7.886} {0 CHEMBL73429,1 1.273,2 7,3 2.289,4 5.239,5 58.712,6 6.277,7 0.4,8 3.461,9 3.606,10 2.892,11 3.018,12 4.394,13 2.954,14 4.009,15 4.226,16 3.16,17 3.38,18 4.866,19 3.276,20 4.188,21 4.455,22 2.983,23 3.416,24 4.959,25 3.255,26 4.078,27 4.342,28 2.816,29 3.29,30 4.826,31 3.101,32 4.045,33 4.364,34 2.702,35 3.115,36 4.745,37 2.932,38 3.703,39 3.967,40 2.447,41 2.91,42 4.427,43 2.734,44 3.626,45 3.935,46 2.094,47 2.701,48 4.206,49 2.464,50 3.389,51 3.735,52 1.871,53 2.33,54 4.001,55 2.127,56 0.038,57 0.433,58 7.159,59 2.829,60 4.702,61 4.178,62 0.11,63 0.69,64 12.544,65 4.649,66 10.188,67 6.963,68 0.117,69 0.75,70 14.882,71 5.398,72 14.396,73 8.192,74 0.065,75 0.656,76 13.072,77 5.297,78 12.188,79 7.804,80 0.095,81 0.598,82 12.756,83 4.481,84 13.382,85 6.919,86 0.065,87 0.453,88 9.046,89 3.32,90 7.563,91 5.031,92 0.044,93 0.378,94 8.177,95 3.244,96 5.826,97 4.821,98 0.062,99 0.29,100 6.567,101 2.013,102 6.986,103 3.265,104 3,105 19,106 0.248,107 0.592,108 0.77,109 0.796,110 0.822,111 0.822,112 2.731,113 1.047,114 -3.8,115 -3.76,116 -3.57,119 40,120 1,121 2,125 2,140 4,141 2,156 1,169 9,172 1,174 1,176 1,178 11,182 1,186 1,189 9,193 2,197 2,199 4,203 2,208 2,211 2,215 1,220 1,222 1,226 1,231 1,237 1,242 1,259 178,260 9.732,261 9.732,262 9.732,263 9.732,264 9.732,265 8.724,266 13.273,267 5.954,268 9.867,269 7.36,270 7.36,271 7.36,272 7.36,273 7.36,274 5.827,275 13.354,276 2.784,277 7.575,278 3.634,279 1.868,280 0.958,281 0.825,282 0.692,283 0.692,284 3.38,288 1,289 1,290 206,291 1.871,294 38.894,295 44.319,302 1.286,303 6.262,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 29,315 98,316 4.082,317 3.215,318 5.617,319 3.711,320 2.728,321 3.654,322 1.505,323 7.786,324 2.69,325 3.826,326 2.753,327 5.314,328 3.435,329 2.471,330 3.125,331 0.368,332 6.857,333 2.379,334 3.396,335 2.374,336 4.95,337 3.047,338 2.066,339 2.66,340 0.265,341 5.834,342 2.016,343 2.5,344 1.458,345 3.431,346 2.142,347 1.176,348 1.5,350 2.572,351 1.133,352 2.246,353 1.093,354 3.414,355 2,356 1,357 1.224,359 2.275,360 1,361 1.799,362 1,363 3,364 1.565,365 0.618,366 0.673,368 1.372,369 0.566,370 1.688,371 0.766,372 2.847,373 1.518,374 0.568,375 0.624,377 0.931,378 0.556,379 1.096,380 0.179,381 2.476,382 0.873,383 -0.114,384 -0.131,386 -0.233,387 -0.112,388 0.501,389 -0.526,390 2,391 0.209,392 -0.781,393 -0.915,395 -1.768,396 -0.773,397 0.5,398 -1,399 1.531,401 -1,402 -1.5,404 -3,405 -1,406 -0.297,407 -1.045,408 1,409 -0.476,410 -1.456,411 -1.526,413 -3.321,414 -1.419,415 -0.407,416 -1.095,417 1,418 -0.704,419 -1.618,420 -1.801,422 -4.125,423 -1.456,424 -0.5,425 -1.444,426 0.586,427 -0.718,428 -1.688,429 -2.166,430 -0.199,431 -4.372,432 -1.659,433 -0.538,434 -1.59,435 0.448,436 -1,437 -1.971,438 -2.419,439 -0.795,440 -5.275,441 -1.922,442 -0.891,443 -2,444 0.385,445 -1.002,446 -2,447 -3,448 -1.145,449 -5.534,450 -2,451 6.8,452 0.486,453 0.205,454 0.015,455 16,456 1.143,457 7.5,458 0.536,459 8.5,460 0.607,461 9.548,462 0.682,463 15.4,464 0.513,465 8.228,466 0.588,467 3.131,468 0.224,469 3.75,470 0.268,471 0.074,473 0.221,479 1.011,480 1.322,481 0.977,482 1.133,483 0.991,484 1.066,485 1.071,486 1.085,487 1.023,488 1.041,489 1.062,490 1.031,491 1.346,492 0.914,493 1.138,494 0.982,495 1.32,496 1.034,497 0.565,498 1.251,499 1.055,500 1.264,501 0.771,502 1.209,503 0.953,504 0.86,505 0.798,506 0.791,507 0.897,508 0.784,509 1.19,510 1.111,511 1.191,512 1.153,513 1.249,514 1.168,515 0.476,516 1.093,517 0.942,518 1.124,519 0.732,520 1.079,521 1.398,522 0.746,523 0.834,524 0.659,525 0.988,526 0.695,527 2.5,529 0.889,530 0.472,531 0.417,532 0.174,533 0.15,534 0.077,535 0.031,536 0.025,537 1440,538 2742,539 2.076,540 53.3,541 5,542 8,545 1,546 2,550 1.501,551 2,552 2.853,553 -0.305,557 1,559 38.187,560 1.273,561 3.038,562 3.948,563 4.082,564 4.215,565 4.215,566 2.306,567 3.236,568 3.778,569 2.941,570 267.609,571 6.263,572 2091.73,574 1,577 147.207,578 1.095,579 3.765,580 0.167,582 0.047,583 0.031,584 0.035,585 0.016,586 0.019,587 0.015,588 0.008,589 0.012,590 0.35,591 1,592 1,593 0.816,594 53.836,595 0.009,596 -0.1,597 0.046,598 -0.015,599 -0.018,600 0.012,601 0.097,602 0.029,603 -0.015,604 -0.02,605 -0.001,606 -0.025,607 -0.246,608 0.105,609 -0.158,610 -0.012,611 -0.233,612 -0.067,613 0.059,614 -0.304,615 -0.117,616 -0.248,617 0.059,618 -0.205,619 0.051,620 0.039,621 0.163,622 0.13,623 0.121,624 0.151,625 -0.175,626 -0.113,627 -0.221,628 -0.18,629 -0.255,630 -0.2,631 0.109,632 -0.238,633 -0.023,634 -0.157,635 -0.013,636 -0.11,637 -0.056,638 0.129,639 0.144,640 0.184,641 0.121,642 0.181,643 0.567,644 1.379,645 0.786,646 8.245,647 0.98,648 1.13,649 2.567,650 6.588,651 0.645,652 2.773,653 2.996,654 3.178,655 3.332,656 3.367,657 3.296,658 3.296,659 3.219,660 3.045,661 2.833,662 4.25,663 0.591,664 188.3,665 2.773,666 4.234,667 5.03,668 5.849,669 6.661,670 7.484,671 8.3,672 9.124,673 9.942,674 10.766,675 6.7,677 1,684 1,688 4,693 2,695 6,714 30,716 7,717 1,718 15,720 31,721 12,722 6,723 2,724 4,730 2,731 2,736 1,743 2,745 7,746 5,750 1,758 1,759 1,761 1,764 16,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 1,827 14,833 4,834 1,854 7,855 5.533,856 3.25,857 2.018,858 1.414,859 1.257,860 0.969,861 2.947,862 6.923,863 2.996,864 3.481,865 3.917,866 4.355,867 4.75,868 4.708,869 4.879,870 5.019,871 4.925,872 4.766,873 0.8,874 15,875 5.179,876 0.002,877 2.069,878 7.393,879 10.335,880 0.001,881 8.257,882 -0.001,883 1.893,884 26.5,885 0.013,888 176.567,889 64.71,890 34.796,895 64.71,896 176.567,897 34.796,898 8.825,899 9.28,900 55.916,901 2.328,902 23.157,904 176.567,906 176.567,907 99.506,911 176.567,915 52.902,916 46.604,919 176.567,920 34.796,921 64.71,924 176.567,925 17.98,926 46.73,927 18.011,928 16.786,929 176.567,930 34.796,931 64.71,933 0.555,934 0.318,935 0.162,936 0.076,937 9,938 3,939 0.097,940 3,942 1,943 2.768,944 82.214,946 11,947 49.303,951 9.414,952 4.383,953 2.432,955 34.796,956 8.79,961 2.741,963 18.011,964 276.073,965 19,973 4.379,974 1.134,975 29.389,976 33.903,977 0.259,978 0.619,979 0.805,980 0.832,981 0.859,982 0.859,983 4.167,984 -0.114,985 4.949,986 0.931,987 3.664,988 4.159,989 1.696,990 5.617,991 3.613,992 5.31,993 -0.781,994 6.412,995 -0.233,996 2.944,997 3.689,998 0.904,999 6.188,1000 2.883,1001 6.567,1002 -1,1003 7.965,1004 -1.768,1005 5.118,1006 6.197,1007 2.113,1008 9.18,1009 5.023,1010 7.861,1011 -1.456,1012 9.569,1013 -3,1014 5.252,1015 6.529,1016 1.864,1017 10.545,1018 5.135,1019 9.183,1020 -1.618,1021 11.204,1022 -3.321,1023 6.799,1024 8.47,1025 2.717,1026 12.974,1027 6.666,1028 10.521,1029 -1.688,1030 12.859,1031 -4.125,1032 7.331,1033 9.167,1034 2.755,1035 14.669,1036 7.173,1037 11.871,1038 -1.971,1039 14.527,1040 -4.372,1041 8.597,1042 10.855,1043 3.416,1044 16.881,1045 8.429,1046 2.728,1047 -2,1048 16.204,1049 -5.275,1050 9.335,1051 11.754,1052 3.615,1053 18.739,1054 9.143,1055 2.471,1056 7.786,1057 17.887,1058 -5.534,1059 10.464,1060 13.303,1061 4.169,1062 20.856,1063 10.264,1064 2.066,1065 6.857,1066 19.573,1067 3.654,1068 11.313,1069 14.331,1070 4.458,1071 22.798,1072 11.091,1073 1.176,1074 5.834,1075 21.264,1076 3.125,1077 12.373,1078 15.795,1079 4.951,1080 24.872,1081 12.144,1082 1,1083 2.572,1084 22.957,1085 2.66,1086 13.284,1087 16.907,1088 5.291,1089 26.859,1090 13.036,1091 0.618,1092 2.275,1093 24.652,1094 1.5,1095 14.31,1096 18.315,1097 5.749,1098 28.914,1099 14.053,1100 0.568,1101 1.372,1102 26.349,1103 1.224,1104 15.256,1105 19.485,1106 6.119,1107 30.927,1108 14.983,1109 1466,1110 2077,1111 10.227,1112 19.341,1113 21.339,1114 21.457,1115 21.681,1116 21.208,1117 21.255,1118 26.918,1119 4.277,1120 55.255,1121 20.681,1122 4.973,1123 5.215,1124 5.232,1125 4.713,1126 4.728,1127 6.654,1128 2.65,1129 13.319,1130 4.69,1131 4.423,1132 1.423,1133 1.43,1134 1.445,1135 1.414,1136 1.417,1137 1.795,1138 0.285,1139 3.684,1140 1.379,1141 3.969,1142 4.007,1143 3.898,1144 3.904,1145 4.794,1146 3.897,1147 3.757,1148 3.826,1149 3.663,1150 3.566,1151 4.648,1152 3.581,1153 3.411,1154 3.489,1155 3.224,1156 3.272,1157 4.012,1158 3.251,1159 3.052,1160 3.137,1161 2.834,1162 2.899,1163 3.674,1164 2.872,1165 2.854,1166 2.925,1167 2.687,1168 2.735,1169 3.596,1170 2.715,1171 2.592,1172 2.7,1173 2.401,1174 2.424,1175 3.489,1176 2.407,1177 2.551,1178 2.683,1179 2.296,1180 2.186,1181 3.178,1182 2.188,1183 2.251,1184 2.399,1185 1.889,1186 1.94,1187 2.741,1188 1.907,1189 0.272,1190 0.214,1191 0.374,1192 0.247,1193 0.182,1194 4.082,1195 0.244,1196 3.215,1197 0.1,1198 5.617,1199 0.519,1200 3.711,1201 0.179,1202 2.728,1203 3.654,1204 1.505,1205 7.786,1206 2.69,1207 1.947,1208 1.919,1209 2.074,1210 2.027,1211 1.247,1212 2.044,1213 1.528,1214 1.465,1215 1.783,1216 1.718,1217 1.004,1218 1.738,1219 1.444,1220 1.36,1221 1.73,1222 1.681,1223 0.988,1224 1.704,1225 1.3,1226 1.22,1227 1.542,1228 1.533,1229 0.661,1230 1.546,1231 0.886,1232 0.821,1233 1.181,1234 1.075,1235 0.243,1236 1.107,1237 0.813,1238 0.726,1239 1.131,1240 1.062,1241 0.218,1242 1.106,1243 0.474,1244 0.34,1245 0.976,1246 0.797,1247 0.128,1248 0.867,1249 0.171,1250 0.027,1251 0.68,1252 0.496,1254 0.568,1255 3.434,1257 4.673,1258 2.398,1259 6.098,1260 4.443,1261 7.602,1262 6.26,1263 9.148,1265 2.178,1271 3.994,1272 3.284,1280 17.73,1281 38.187,1282 91.153,1283 118.452,1284 122.452,1285 126.452,1286 126.452,1287 13.489,1288 5.509,1289 24.39,1290 24.39,1291 11,1292 11.345,1293 3,1294 2.322,1295 21.521,1296 35,1297 34,1298 0.311,1299 112.971,1300 191.98,1301 267.409,1302 1328,1304 9.803,1305 0.7,1306 0.613,1307 9.803,1308 8.585,1309 6.881,1310 0.459,1311 0.349,1312 5.194,1313 6.741,1314 5.032,1315 4.21,1316 6.881,1317 5.233,1318 5.681,1319 0.299,1320 0.19,1321 5.681,1322 3.602,1323 4.685,1324 0.204,1325 0.111,1326 4.685,1327 2.546,1328 3.593,1329 0.133,1330 0.061,1331 3.593,1332 1.652,1333 2.409,1334 0.086,1335 0.035,1336 2.409,1337 0.974,1338 0.479,1339 42.196,1340 0.313,1341 14.486,1342 0.861,1343 68,1344 147.978,1345 71.497,1346 149.004,1347 208.95,1348 142,1349 76,1350 153.803,1351 79.358,1352 158.192,1353 227.26,1354 150,1355 5} {0 CHEMBL73670,1 1.252,2 7.133,3 2.541,4 6.455,5 63.26,6 6.131,7 0.375,8 3.548,9 3.695,10 2.955,11 3.101,12 4.47,13 3.031,14 4.107,15 4.328,16 3.249,17 3.479,18 4.944,19 3.372,20 4.31,21 4.57,22 3.106,23 3.559,24 5.09,25 3.393,26 4.289,27 4.567,28 2.958,29 3.47,30 5.018,31 3.269,32 4.224,33 4.542,34 2.805,35 3.288,36 4.916,37 3.086,38 3.887,39 4.174,40 2.546,41 3.044,42 4.56,43 2.853,44 3.703,45 3.99,46 2.245,47 2.841,48 4.309,49 2.615,50 3.636,51 3.984,52 2.189,53 2.57,54 4.256,55 2.372,56 0.042,57 0.472,58 7.988,59 3.17,60 5.576,61 4.694,62 0.117,63 0.756,64 13.939,65 5.237,66 11.104,67 7.842,68 0.122,69 0.853,70 16.813,71 6.29,72 16.269,73 9.484,74 0.081,75 0.79,76 16.056,77 6.552,78 15.489,79 9.644,80 0.104,81 0.706,82 15.047,83 5.47,84 15.862,85 8.371,86 0.074,87 0.524,88 10.784,89 4.019,90 8.825,91 6.084,92 0.045,93 0.422,94 8.792,95 3.573,96 6.002,97 5.269,98 0.065,99 0.371,100 8.256,101 2.654,102 8.665,103 4.266,104 6,105 21,106 0.238,107 0.568,108 0.733,109 0.756,110 0.779,111 0.779,112 2.793,113 1.053,114 -4.07,115 -4.02,116 -3.8,119 39.4,120 2,121 1,122 1,125 2,140 4,141 2,156 1,169 10,172 1,174 1,176 1,178 13,182 1,186 1,189 11,193 2,197 2,199 6,203 2,208 2,211 3,215 1,220 1,222 2,226 1,231 1,237 2,242 2,259 210,260 10.069,261 10.069,262 10.069,263 10.069,264 10.069,265 9.085,266 14.485,267 6.091,268 10.204,269 7.901,270 7.901,271 7.901,272 7.901,273 7.901,274 6.407,275 14.825,276 2.904,277 8.116,278 3.793,279 2.064,280 1.197,281 1.076,282 0.955,283 0.955,284 3.44,288 1,289 1,290 223,291 2.345,294 43.149,295 48.509,302 1.342,303 6.948,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 31,315 107,316 4.132,317 3.219,318 5.932,319 3.801,320 2.806,321 3.695,322 1.505,323 8.262,324 2.795,325 3.881,326 2.977,327 5.562,328 3.56,329 2.596,330 3.158,331 0.368,332 7.583,333 2.507,334 3.507,335 2.473,336 5.032,337 3.154,338 2.184,339 2.765,340 0.265,341 6.055,342 2.105,343 2.5,344 1.508,345 3.79,346 2.301,347 1.312,348 1.5,350 3,351 1.297,352 2.475,353 1.254,354 3.414,355 2.075,356 1.101,357 1.472,359 2.482,360 1.07,361 2.22,362 1.087,363 3.399,364 2,365 1,366 1.188,368 2.275,369 1,370 1.767,371 1,372 3,373 1.518,374 0.618,375 0.666,377 1.372,378 0.556,379 1.202,380 0.303,381 2.648,382 0.941,383 -0.045,384 -0.053,386 -0.114,387 -0.044,388 0.523,389 -0.472,390 2,391 0.221,392 -0.768,393 -0.909,395 -1.894,396 -0.759,397 0.5,398 -1,399 1.88,401 -1,402 -1,404 -2,405 -1,407 -1,408 1.438,410 -1,411 -1.5,413 -3,414 -1,415 -0.298,416 -1.046,417 1,418 -0.497,419 -1.474,420 -1.547,422 -3.405,423 -1.431,424 -0.424,425 -1.102,426 1,427 -0.718,428 -1.618,429 -1.819,431 -4.372,432 -1.456,433 -0.5,434 -1.458,435 0.933,436 -0.752,437 -1.738,438 -2.192,439 -0.199,440 -5.275,441 -1.711,442 -0.594,443 -1.602,444 0.586,445 -1,446 -1.975,447 -2.423,448 -0.795,449 -5.305,450 -1.929,451 7.3,452 0.487,453 0.332,454 0.022,455 16.5,456 1.1,457 7.5,458 0.5,459 9,460 0.6,461 11.446,462 0.763,463 16.7,464 0.506,465 8.714,466 0.581,467 3.105,468 0.207,469 4.149,470 0.277,471 0.137,473 0.274,479 1.016,480 1.335,481 1.009,482 1.161,483 1.095,484 1.097,485 1.049,486 1.056,487 0.993,488 1.011,489 0.977,490 1,491 1.318,492 0.988,493 1.185,494 1.063,495 1.314,496 1.106,497 0.528,498 1.167,499 1.002,500 1.184,501 0.766,502 1.138,503 0.901,504 0.908,505 0.853,506 0.868,507 0.952,508 0.859,509 1.064,510 1.001,511 1.061,512 1.032,513 1.085,514 1.044,515 0.525,516 1.207,517 1.061,518 1.248,519 0.833,520 1.203,521 1.002,522 0.892,523 0.661,524 0.694,525 0.605,526 0.66,527 3,529 1.333,530 0.722,531 0.457,532 0.292,533 0.15,534 0.14,535 0.068,536 0.049,537 1719,538 3145,539 2.032,540 54.5,541 7,542 8,545 1,546 2,550 1.523,551 1.915,552 2.875,553 -0.33,557 1,559 41.301,560 1.252,561 2.981,562 3.847,563 3.968,564 4.09,565 4.09,566 2.289,567 2.873,568 3.878,569 3.004,570 315.399,571 6.465,572 2618.26,574 1,577 166.465,578 1.338,579 3.843,580 0.188,582 0.063,583 0.042,584 0.033,585 0.024,586 0.017,587 0.023,588 0.011,589 0.012,590 0.414,591 1,592 1,593 0.909,594 59.538,595 0.018,596 -0.094,597 0.044,598 -0.015,599 -0.085,600 0.012,601 0.118,602 0.067,603 0.032,604 0.029,605 0.071,606 0.025,607 -0.245,608 0.053,609 -0.195,610 -0.067,611 -0.234,612 -0.117,613 0.071,614 -0.229,615 -0.063,616 -0.171,617 0.073,618 -0.135,619 0.042,620 -0.005,621 0.099,622 0.063,623 0.047,624 0.081,625 -0.103,626 -0.037,627 -0.096,628 -0.067,629 -0.149,630 -0.079,631 0.053,632 -0.297,633 -0.133,634 -0.251,635 -0.118,636 -0.214,637 0.187,638 -0.039,639 0.297,640 0.164,641 0.405,642 0.226,643 0.721,644 1.394,645 0.733,646 9.867,647 0.978,648 1.131,649 2.838,650 8.057,651 0.639,652 2.833,653 3.091,654 3.258,655 3.401,656 3.434,657 3.434,658 3.434,659 3.367,660 3.219,661 3.045,662 4.475,663 0.584,664 202.33,665 2.833,666 4.317,667 5.118,668 5.948,669 6.765,670 7.597,671 8.419,672 9.252,673 10.076,674 10.91,675 6.1,677 1,684 1,688 4,693 2,695 6,714 33,716 7,717 1,718 16,720 34,721 13,722 6,723 2,724 4,730 2,731 2,736 2,743 1,745 7,746 6,747 1,750 1,758 1,759 1,761 1,764 18,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 2,827 15,833 3,834 1,837 1,854 7.833,855 6.367,856 3.361,857 2.143,858 1.412,859 1.251,860 0.951,861 3.172,862 7.051,863 3.045,864 3.541,865 3.975,866 4.411,867 4.807,868 4.85,869 5.033,870 5.144,871 5.062,872 4.925,873 0.8,874 17,875 5.552,876 -0.001,877 2.224,878 7.389,879 11.092,881 8.943,883 1.889,884 28.333,885 0.01,888 200.109,889 71,890 34.796,895 71,896 200.109,897 34.796,898 17.65,899 6.746,900 55.916,901 2.328,902 23.157,904 200.109,906 200.109,907 105.797,911 200.109,915 59.193,916 46.604,919 200.109,920 34.796,921 71,924 200.109,925 15.445,926 55.555,927 18.011,928 16.786,929 200.109,930 34.796,931 71,933 0.571,934 0.317,935 0.155,936 0.07,937 10,938 4,939 0.088,940 3,942 1,943 2.827,944 91.435,946 11,947 52.603,951 10.377,952 4.584,953 2.663,955 34.796,956 8.848,961 2.743,963 18.011,964 305.905,965 20,973 4.394,974 1.132,975 32.272,976 37.318,977 0.248,978 0.591,979 0.763,980 0.787,981 0.811,982 0.811,983 4.241,984 -0.045,985 5.069,986 1.372,987 3.761,988 4.22,989 1.696,990 5.771,991 3.715,992 5.399,993 -0.768,994 6.564,995 -0.114,996 3.219,997 3.829,998 0.904,999 6.457,1000 3.172,1001 6.665,1002 -1,1003 8.155,1004 -1.894,1005 5.252,1006 6.252,1007 2.113,1008 9.447,1009 5.17,1010 7.966,1011 -1,1012 9.8,1013 -2,1014 5.525,1015 6.643,1016 1.864,1017 10.927,1018 5.438,1019 9.295,1020 -1.474,1021 11.479,1022 -3,1023 6.997,1024 8.54,1025 2.717,1026 13.377,1027 6.889,1028 10.642,1029 -1.618,1030 13.181,1031 -3.405,1032 7.637,1033 9.286,1034 2.755,1035 15.18,1036 7.523,1037 12.001,1038 -1.738,1039 14.897,1040 -4.372,1041 8.865,1042 10.943,1043 3.416,1044 17.424,1045 8.739,1046 2.806,1047 -1.975,1048 16.623,1049 -5.275,1050 9.684,1051 11.885,1052 3.615,1053 19.376,1054 9.553,1055 2.596,1056 8.262,1057 18.357,1058 -5.305,1059 10.8,1060 13.413,1061 4.169,1062 21.533,1063 10.661,1064 2.184,1065 7.583,1066 20.096,1067 3.695,1068 11.711,1069 14.476,1070 4.458,1071 23.558,1072 11.568,1073 1.312,1074 6.055,1075 21.839,1076 3.158,1077 12.773,1078 15.925,1079 4.951,1080 25.678,1081 12.625,1082 1.101,1083 3,1084 23.586,1085 2.765,1086 13.732,1087 17.069,1088 5.291,1089 27.738,1090 13.581,1091 1,1092 2.482,1093 25.336,1094 1.5,1095 14.77,1096 18.468,1097 5.749,1098 29.843,1099 14.615,1100 0.618,1101 2.275,1102 27.089,1103 1.472,1104 15.756,1105 19.665,1106 6.119,1107 31.922,1108 15.599,1109 1756,1110 2436,1111 10.633,1112 21.103,1113 23.466,1114 23.499,1115 23.556,1116 23.167,1117 23.234,1118 28.886,1119 4.277,1120 62.058,1121 22.661,1122 5.024,1123 5.219,1124 5.547,1125 4.805,1126 4.806,1127 6.695,1128 2.65,1129 13.926,1130 4.795,1131 6.365,1132 1.467,1133 1.469,1134 1.472,1135 1.448,1136 1.452,1137 1.805,1138 0.267,1139 3.879,1140 1.416,1141 3.979,1142 4.017,1143 3.908,1144 3.916,1145 4.796,1146 3.909,1147 3.766,1148 3.836,1149 3.672,1150 3.578,1151 4.651,1152 3.592,1153 3.505,1154 3.576,1155 3.336,1156 3.373,1157 4.129,1158 3.356,1159 3.067,1160 3.146,1161 2.868,1162 2.926,1163 3.674,1164 2.902,1165 2.874,1166 3.009,1167 2.687,1168 2.735,1169 3.605,1170 2.715,1171 2.854,1172 2.925,1173 2.499,1174 2.618,1175 3.49,1176 2.57,1177 2.553,1178 2.699,1179 2.392,1180 2.4,1181 3.467,1182 2.389,1183 2.547,1184 2.628,1185 2.295,1186 2.186,1187 3.164,1188 2.188,1189 0.258,1190 0.201,1191 0.371,1192 0.238,1193 0.175,1194 4.132,1195 0.231,1196 3.219,1197 0.094,1198 5.932,1199 0.516,1200 3.801,1201 0.175,1202 2.806,1203 3.695,1204 1.505,1205 8.262,1206 2.795,1207 1.958,1208 1.93,1209 2.087,1210 2.037,1211 1.278,1212 2.055,1213 1.594,1214 1.533,1215 1.84,1216 1.767,1217 1.043,1218 1.793,1219 1.445,1220 1.362,1221 1.73,1222 1.681,1223 1.004,1224 1.704,1225 1.34,1226 1.268,1227 1.55,1228 1.566,1229 0.681,1230 1.568,1231 0.934,1232 0.821,1233 1.417,1234 1.239,1235 0.469,1236 1.308,1237 0.886,1238 0.804,1239 1.181,1240 1.062,1241 0.226,1242 1.107,1243 0.801,1244 0.718,1245 1.11,1246 1.062,1247 0.218,1248 1.091,1249 0.392,1250 0.275,1251 0.821,1252 0.664,1254 0.724,1255 3.497,1257 4.762,1258 2.398,1259 6.205,1260 4.443,1261 7.724,1262 6.26,1263 9.283,1265 4.44,1271 2.872,1272 3.292,1275 0.612,1280 19.257,1281 41.301,1282 98.359,1283 126.955,1284 130.955,1285 134.955,1286 134.955,1287 16.224,1288 5.638,1289 24.39,1290 24.39,1291 11,1292 11.482,1293 3,1294 2.322,1295 23.799,1296 40,1297 31,1298 0.303,1299 122.563,1300 209.28,1301 290.814,1302 1561,1304 10.673,1305 0.712,1306 0.63,1307 10.673,1308 9.455,1309 7.254,1310 0.453,1311 0.351,1312 5.577,1313 7.114,1314 5.343,1315 4.502,1316 7.254,1317 5.615,1318 6.411,1319 0.305,1320 0.206,1321 6.411,1322 4.328,1323 4.976,1324 0.199,1325 0.11,1326 4.976,1327 2.761,1328 3.808,1329 0.131,1330 0.061,1331 3.808,1332 1.779,1333 2.497,1334 0.083,1335 0.034,1336 2.497,1337 1.021,1338 0.469,1339 44.432,1340 0.307,1341 15.46,1342 0.837,1343 74,1344 153.978,1345 77.497,1346 155.879,1347 218.57,1348 148,1349 83,1350 161.803,1351 86.358,1352 167.511,1353 240,1354 158,1355 6.469} {0 CHEMBL73943,1 1.233,2 8.438,3 3.201,4 10.248,5 67.914,6 6.01,7 0.353,8 3.628,9 3.777,10 3.014,11 3.177,12 4.516,13 3.102,14 4.196,15 4.419,16 3.268,17 3.547,18 4.999,19 3.425,20 4.413,21 4.695,22 3.113,23 3.602,24 5.117,25 3.421,26 4.325,27 4.61,28 3.006,29 3.503,30 5.003,31 3.304,32 4.267,33 4.573,34 2.972,35 3.394,36 4.964,37 3.214,38 4.053,39 4.31,40 2.751,41 3.281,42 4.794,43 3.089,44 4.042,45 4.364,46 2.393,47 3.08,48 4.592,49 2.823,50 3.71,51 4.043,52 2.201,53 2.717,54 4.259,55 2.506,56 0.046,57 0.511,58 8.805,59 3.512,60 5.516,61 5.206,62 0.123,63 0.817,64 15.301,65 5.801,66 11.314,67 8.689,68 0.131,69 0.908,70 18.413,71 6.886,72 15.46,73 10.421,74 0.085,75 0.813,76 16.556,77 6.746,78 13.38,79 9.943,80 0.105,81 0.755,82 15.654,83 5.808,84 14.778,85 8.84,86 0.079,87 0.644,88 12.826,89 5.019,90 11.297,91 7.484,92 0.064,93 0.558,94 12.105,95 4.919,96 8.698,97 7.259,98 0.069,99 0.404,100 8.805,101 3.015,102 6.302,103 4.726,104 5,105 21,106 0.23,107 0.557,108 0.774,109 0.816,110 0.837,111 0.837,112 2.85,113 1.1,114 -4.33,115 -4.27,116 -4.03,119 38.9,120 1,121 4,125 2,140 4,141 2,156 1,169 11,172 1,174 1,176 1,178 13,182 1,186 1,189 11,193 2,197 2,199 7,203 2,208 2,211 6,215 1,220 1,222 4,226 1,231 1,233 2,237 1,242 1,244 1,249 1,254 1,259 262,260 11.146,261 11.146,262 11.146,263 11.146,264 11.146,265 10.138,266 13.273,267 7.084,268 11.282,269 8.398,270 8.398,271 8.398,272 8.398,273 8.398,274 6.888,275 13.354,276 3.373,277 8.613,278 3.937,279 2.183,280 1.021,281 0.799,282 0.688,283 0.688,284 3.508,288 1,289 1,290 282,291 2.345,294 47.584,295 53.359,302 1.688,303 6.815,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 33,315 135,316 4.084,317 3.215,318 5.62,319 3.715,320 2.731,321 3.655,322 1.505,323 7.796,324 2.695,325 3.829,326 2.769,327 5.335,328 3.449,329 2.484,330 3.127,331 0.368,332 6.957,333 2.394,334 3.41,335 2.392,336 4.961,337 3.071,338 2.092,339 2.67,340 0.265,341 5.888,342 2.038,343 2.5,344 1.499,345 3.487,346 2.425,347 1.427,348 1.5,350 2.719,351 1.424,352 2.48,353 1.386,354 3.414,355 2.128,356 1.161,357 1.479,359 2.498,360 1.12,361 2.237,362 1.092,363 3.376,364 2,365 1,366 1.213,368 2.275,369 1,370 1.776,371 1,372 3,373 1.518,374 0.618,375 0.667,377 1.372,378 0.556,379 1.521,380 0.617,381 2.724,382 1.392,383 0.395,384 0.43,386 0.707,387 0.394,388 1.077,389 0.148,390 2.371,391 0.892,392 -0.097,393 -0.11,395 -0.2,396 -0.096,397 0.544,398 -0.427,399 2,400 0.304,401 -0.686,402 -0.774,404 -1.521,405 -0.68,406 0.5,407 -0.914,408 1.567,410 -1,411 -1.272,413 -2.316,414 -1,415 -0.037,416 -1,417 1.175,418 -0.171,419 -1.167,420 -1.5,422 -3,423 -1.162,424 -0.3,425 -1.056,426 1,427 -0.556,428 -1.529,429 -1.626,431 -3.404,432 -1.456,433 -0.456,434 -1.343,435 0.863,436 -0.718,437 -1.618,438 -1.847,440 -4.372,441 -1.48,442 -0.5,443 -1.535,444 0.586,445 -0.842,446 -1.833,447 -2.191,448 -0.199,449 -4.584,450 -1.81,451 7.8,452 0.488,453 0.205,454 0.013,455 17,456 1.063,457 7.5,458 0.469,459 9.5,460 0.594,461 12.485,462 0.78,463 18,464 0.5,465 8.77,466 0.548,467 3.131,468 0.196,469 4.75,470 0.297,471 0.064,473 0.192,479 1.023,480 1.347,481 1.038,482 1.184,483 0.983,484 1.125,485 1.066,486 1.143,487 1.081,488 1.113,489 1.04,490 1.101,491 1.256,492 0.92,493 1.092,494 0.978,495 1.259,496 1.016,497 0.531,498 1.118,499 0.95,500 1.115,501 0.698,502 1.071,503 0.917,504 0.885,505 0.827,506 0.835,507 0.873,508 0.827,509 1.067,510 1.206,511 1.257,512 1.273,513 1.362,514 1.278,515 0.44,516 1.013,517 0.906,518 1.053,519 0.765,520 1.019,521 1.215,522 0.816,523 0.875,524 0.777,525 0.983,526 0.798,527 2.5,528 0.02,529 0.889,530 0.472,531 0.417,532 0.202,533 0.211,534 0.105,535 0.031,536 0.025,537 2174,538 3796,539 2.066,540 55.6,541 9,542 8,545 1,546 2,550 1.542,551 2,552 3.087,553 -0.352,555 1,556 1,557 1,559 44.376,560 1.233,561 2.986,562 4.149,563 4.371,564 4.482,565 4.482,566 2.531,567 3.328,568 3.964,569 3.213,570 385.583,571 6.638,572 3418.56,574 1,576 1,577 186.117,578 1.014,579 3.962,580 0.147,581 0.005,582 0.042,583 0.028,584 0.028,585 0.013,586 0.019,587 0.015,588 0.005,589 0.005,590 0.308,591 0.67,592 1,593 1.25,594 66.25,595 0.024,596 -0.088,597 0.043,598 -0.014,599 0.029,600 0.011,601 0.098,602 -0.015,603 -0.044,604 -0.06,605 0.028,606 -0.062,607 -0.188,608 0.087,609 -0.106,611 -0.187,612 -0.039,613 0.09,614 -0.173,615 -0.005,616 -0.102,617 0.114,618 -0.067,619 0.047,620 0.056,621 0.137,622 0.118,623 0.148,624 0.131,625 -0.17,626 -0.179,627 -0.275,628 -0.253,629 -0.305,630 -0.268,631 0.101,632 -0.157,633 0.003,634 -0.091,635 -0.043,636 -0.058,637 -0.038,638 0.084,639 0.083,640 0.109,641 -0.025,642 0.105,643 0.566,644 1.409,645 0.688,646 12.672,647 0.977,648 1.131,649 3.102,650 9.622,651 0.635,652 2.89,653 3.091,654 3.258,655 3.434,656 3.497,657 3.434,658 3.497,659 3.497,660 3.367,661 3.219,662 5.032,663 0.577,664 216.36,665 2.89,666 4.344,667 5.13,668 5.943,669 6.749,670 7.569,671 8.383,672 9.206,673 10.023,674 10.847,675 5.6,677 1,684 1,688 4,693 2,695 6,714 36,716 7,717 1,718 17,720 37,721 14,722 6,723 2,724 4,730 2,731 2,736 1,743 4,745 7,746 7,750 1,758 1,759 1,761 1,764 20,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,823 1,827 16,833 6,834 1,854 8,855 6.533,856 3.75,857 2.518,858 1.409,859 1.245,860 0.957,861 4.119,862 7.165,863 3.091,864 3.541,865 3.956,866 4.405,867 4.813,868 4.805,869 5.044,870 5.247,871 5.192,872 5.062,873 0.833,874 17,875 5.936,877 2.355,878 7.344,879 11.968,881 9.591,883 1.844,884 29.5,885 0.009,888 223.651,889 69.779,890 34.796,895 69.779,896 223.651,897 34.796,898 8.825,899 14.35,900 55.916,901 2.328,902 23.157,904 223.651,906 223.651,907 104.575,911 223.651,915 57.971,916 46.604,919 223.651,920 34.796,921 69.779,924 223.651,925 23.049,926 46.73,927 18.011,928 16.786,929 223.651,930 34.796,931 69.779,933 0.544,934 0.3,935 0.16,936 0.082,937 9,938 3,939 0.135,940 5,942 1,943 3.022,944 97.157,946 11,947 60,951 11.346,952 5.809,953 3.444,955 34.796,956 8.96,961 2.806,963 18.011,964 328.226,965 21,973 4.409,974 1.14,975 35.156,976 40.733,977 0.238,978 0.578,979 0.803,980 0.846,981 0.867,982 0.867,983 4.256,984 0.395,985 5.03,986 1.372,987 3.761,988 4.22,989 1.696,990 5.68,991 3.715,992 5.376,993 -0.097,994 6.475,995 0.707,996 2.944,997 3.689,998 0.904,999 6.188,1000 2.883,1001 6.619,1002 -0.686,1003 8.013,1004 -0.2,1005 5.187,1006 6.221,1007 2.113,1008 9.224,1009 5.099,1010 7.9,1011 -1,1012 9.607,1013 -1.521,1014 5.252,1015 6.529,1016 1.864,1017 10.566,1018 5.135,1019 9.212,1020 -1.167,1021 11.235,1022 -2.316,1023 6.849,1024 8.481,1025 2.717,1026 13.016,1027 6.723,1028 10.544,1029 -1.529,1030 12.885,1031 -3,1032 7.34,1033 9.17,1034 2.755,1035 14.704,1036 7.183,1037 11.889,1038 -1.618,1039 14.551,1040 -3.404,1041 8.637,1042 10.862,1043 3.416,1044 16.926,1045 8.476,1046 2.731,1047 -1.833,1048 16.226,1049 -4.372,1050 9.352,1051 11.76,1052 3.615,1053 18.782,1054 9.164,1055 2.484,1056 7.796,1057 17.908,1058 -4.584,1059 10.499,1060 13.31,1061 4.169,1062 20.902,1063 10.306,1064 2.092,1065 6.957,1066 19.595,1067 3.655,1068 11.336,1069 14.337,1070 4.458,1071 22.844,1072 11.12,1073 1.427,1074 5.888,1075 21.285,1076 3.127,1077 12.406,1078 15.801,1079 4.951,1080 24.92,1081 12.185,1082 1.161,1083 2.719,1084 22.979,1085 2.67,1086 13.311,1087 16.914,1088 5.291,1089 26.908,1090 13.071,1091 1,1092 2.498,1093 24.675,1094 1.5,1095 14.342,1096 18.322,1097 5.749,1098 28.963,1099 14.095,1100 0.618,1101 2.275,1102 26.373,1103 1.479,1104 15.286,1105 19.493,1106 6.119,1107 30.976,1108 15.022,1109 2206,1110 2989,1111 11.614,1112 22.864,1113 23.912,1114 24.043,1115 24.305,1116 23.772,1117 23.817,1118 29.481,1119 4.277,1120 60.426,1121 23.243,1122 4.978,1123 5.215,1124 5.483,1125 4.721,1126 4.731,1127 6.655,1128 2.65,1129 13.336,1130 4.695,1131 5.06,1132 1.407,1133 1.414,1134 1.43,1135 1.398,1136 1.401,1137 1.734,1138 0.252,1139 3.554,1140 1.367,1141 3.976,1142 4.014,1143 3.903,1144 3.91,1145 4.794,1146 3.903,1147 3.765,1148 3.835,1149 3.668,1150 3.58,1151 4.646,1152 3.591,1153 3.604,1154 3.674,1155 3.426,1156 3.466,1157 4.135,1158 3.45,1159 3.22,1160 3.297,1161 3.035,1162 3.086,1163 3.768,1164 3.064,1165 2.968,1166 3.066,1167 2.717,1168 2.789,1169 3.674,1170 2.758,1171 2.854,1172 2.925,1173 2.687,1174 2.735,1175 3.532,1176 2.715,1177 2.578,1178 2.7,1179 2.365,1180 2.398,1181 3.402,1182 2.378,1183 2.551,1184 2.678,1185 2.295,1186 2.186,1187 3.14,1188 2.188,1189 0.24,1190 0.189,1191 0.331,1192 0.219,1193 0.161,1194 4.084,1195 0.215,1196 3.215,1197 0.089,1198 5.62,1199 0.459,1200 3.715,1201 0.159,1202 2.731,1203 3.655,1204 1.505,1205 7.796,1206 2.695,1207 1.953,1208 1.924,1209 2.086,1210 2.034,1211 1.327,1212 2.053,1213 1.659,1214 1.594,1215 1.919,1216 1.828,1217 1.139,1218 1.862,1219 1.448,1220 1.373,1221 1.73,1222 1.682,1223 1.004,1224 1.704,1225 1.419,1226 1.345,1227 1.638,1228 1.634,1229 0.845,1230 1.635,1231 1.134,1232 1.046,1233 1.459,1234 1.371,1235 0.601,1236 1.411,1237 0.886,1238 0.821,1239 1.181,1240 1.062,1241 0.256,1242 1.107,1243 0.78,1244 0.684,1245 1.125,1246 1.053,1247 0.218,1248 1.09,1249 0.499,1250 0.363,1251 1.004,1252 0.826,1253 0.168,1254 0.897,1255 3.555,1257 4.779,1258 2.398,1259 6.184,1260 4.443,1261 7.674,1262 6.26,1263 9.21,1265 2.234,1271 6.647,1272 3.304,1280 20.784,1281 44.376,1282 107.514,1283 149.362,1284 157.362,1285 161.362,1286 161.362,1287 17.936,1288 5.756,1289 24.39,1290 24.39,1291 11,1292 11.426,1293 3,1294 2.322,1295 26.231,1296 48,1297 50,1298 0.276,1299 132.155,1300 226.58,1301 314.219,1302 1890,1304 11.217,1305 0.701,1306 0.625,1307 11.217,1308 9.999,1309 7.881,1310 0.464,1311 0.367,1312 6.194,1313 7.741,1314 6.01,1315 5.055,1316 7.881,1317 6.233,1318 6.415,1319 0.305,1320 0.207,1321 6.415,1322 4.352,1323 5.074,1324 0.203,1325 0.118,1326 5.074,1327 2.957,1328 3.966,1329 0.132,1330 0.065,1331 3.966,1332 1.963,1333 2.833,1334 0.089,1335 0.039,1336 2.833,1337 1.261,1338 0.436,1339 48.196,1340 0.293,1341 16.711,1342 0.74,1343 76,1344 155.978,1345 79.497,1346 157.411,1347 220.51,1348 150,1349 84,1350 161.803,1351 87.358,1352 166.693,1353 239.26,1354 158,1355 5.599} {0 CHEMBL74208,1 1.571,2 11.048,3 2.861,4 8.184,5 82.364,6 7.034,7 0.455,8 3.804,9 3.957,10 3.294,11 3.231,12 4.953,13 3.221,14 4.282,15 4.49,16 3.573,17 3.571,18 5.389,19 3.519,20 4.488,21 4.751,22 3.537,23 3.598,24 5.512,25 3.522,26 4.441,27 4.717,28 3.397,29 3.499,30 5.43,31 3.412,32 4.341,33 4.623,34 3.287,35 3.35,36 5.375,37 3.26,38 4.244,39 4.526,40 3.167,41 3.226,42 5.295,43 3.152,44 4.117,45 4.392,46 3.165,47 3.176,48 5.216,49 3.101,50 4.11,51 4.385,52 2.98,53 3.173,54 5.099,55 3.075,56 0.091,57 0.631,58 9.358,59 3.02,60 11.862,61 4.695,62 0.214,63 0.9,64 15.889,65 5.042,66 25.278,67 7.947,68 0.296,69 0.949,70 20.715,71 5.4,72 35.278,73 9.18,74 0.3,75 0.862,76 20.044,77 4.851,78 33.417,79 8.525,80 0.301,81 0.746,82 18.266,83 4.299,84 33.334,85 7.661,86 0.317,87 0.676,88 16.812,89 3.247,90 38.639,91 6.359,92 0.31,93 0.642,94 14.473,95 3.313,96 31.334,97 5.942,98 0.222,99 0.613,100 14.36,101 3.212,102 26.473,103 5.879,104 19,105 28,106 0.28,107 0.69,108 0.84,109 0.89,110 0.89,111 0.89,112 3.101,113 0.95,114 -2.77,115 -2.78,116 -2.7,119 34.1,120 1,121 3,125 1,140 2,141 1,144 1,145 1,149 1,150 1,153 1,157 1,161 1,162 1,163 1,166 1,169 4,172 4,173 1,174 3,175 1,176 3,177 1,178 2,181 1,182 2,183 1,184 2,186 3,189 2,192 1,193 1,195 1,197 3,199 1,201 1,203 4,206 1,207 2,208 3,213 2,215 2,218 1,220 3,224 1,225 1,226 1,228 1,229 2,230 2,231 3,232 1,233 1,235 1,237 2,242 1,244 1,246 1,249 2,252 1,253 1,254 2,255 1,256 1,258 1,259 603,260 14.267,261 14.267,262 14.267,263 14.267,264 14.267,265 12.566,266 9.39,267 8.936,268 14.6,269 10.847,270 10.847,271 10.847,272 10.847,273 10.847,274 8.359,275 6.931,276 4.247,277 11.392,278 3.787,279 1.483,280 0.641,281 0.36,282 0.36,283 0.36,284 3.765,287 1,288 1,289 1,290 481,291 3.606,294 49.886,295 59.603,298 92.098,302 1.764,303 18.374,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46,315 232,316 4.554,317 3.12,318 6.543,319 4.055,320 3.087,321 4.512,322 1.2,323 10.343,324 2.988,325 3.771,326 2.917,327 5.17,328 3.305,329 2.388,330 3.11,331 0.129,332 6.257,333 2.196,334 3.65,335 2.501,336 5.028,337 3.192,338 2.255,339 3.002,341 6.055,342 2.108,343 3.383,344 2.123,345 4.949,346 2.889,347 1.936,348 2.722,350 5.693,351 1.833,352 2.881,353 1.781,354 4.141,355 2.707,356 1.719,357 1.961,359 3.514,360 1.696,361 2.712,362 1.558,363 3.722,364 2.28,365 1.329,366 1.727,368 3.341,369 1.261,370 2.598,371 1.235,372 3.415,373 2.102,374 1.147,375 1.562,377 2.47,378 1.093,379 2.126,380 1.131,381 3.209,382 1.899,383 0.943,384 1.044,386 1.812,387 0.899,388 1.993,389 0.725,390 2.922,391 1.606,392 0.653,393 0.871,395 1.443,396 0.62,397 1.341,398 0.38,399 2.45,400 1.108,401 0.152,402 0.165,404 0.26,405 0.145,406 1.047,407 0.069,408 2.375,409 0.792,410 -0.153,411 -0.178,413 -0.332,414 -0.143,415 0.838,416 -0.12,417 2,418 0.429,419 -0.477,420 -0.611,422 -1.101,423 -0.43,424 0.617,425 -0.495,426 2,427 0.206,428 -0.759,429 -0.809,431 -1.358,432 -0.731,433 0.4,434 -0.829,435 1.802,436 0.092,437 -0.877,438 -1.221,440 -2.617,441 -0.848,442 0.136,443 -0.923,444 1.403,445 -0.228,446 -1.142,447 -1.369,449 -2.805,450 -1.036,451 9.733,452 0.463,453 0.383,454 0.018,455 25,456 1.19,457 11.5,458 0.548,459 13.5,460 0.643,461 15.634,462 0.744,463 23.867,464 0.582,465 16.442,466 0.783,467 4.975,468 0.237,469 5.228,470 0.249,471 0.127,473 0.257,479 1.056,480 1.398,481 0.912,482 1.128,483 1.08,484 1.013,485 0.633,486 1.237,487 0.873,488 1.178,489 0.513,490 1.079,491 0.918,492 1.053,493 0.91,494 0.98,495 0.786,496 0.942,497 1.041,498 1.011,499 0.977,500 0.943,501 0.95,502 0.939,503 0.915,504 1.044,505 0.924,506 0.987,507 0.911,508 0.951,509 1.366,510 1.071,511 1.039,512 0.814,513 1.308,514 0.858,515 0.792,516 0.919,517 0.954,518 0.896,519 0.788,520 0.93,521 1.296,522 0.995,523 1.18,524 0.931,525 1.208,526 1.004,527 3.5,528 0.057,529 2,530 1.104,531 0.693,532 0.417,533 0.264,534 0.188,535 0.134,536 0.086,537 4689,538 11929,539 1.995,540 48.8,541 7,542 4,543 1,544 1,545 5,547 2,550 1.624,551 1.881,552 3.417,553 2.845,554 1,555 1,557 1,559 64.408,560 1.571,561 3.874,562 4.717,563 4.998,564 4.998,565 4.998,566 2.915,567 4.297,568 4.359,569 3.593,570 754.466,571 7.431,572 8560.08,573 1,574 1,576 1,577 219.66,578 1.322,579 4.328,580 0.159,581 0.006,582 0.071,583 0.042,584 0.032,585 0.022,586 0.016,587 0.011,588 0.01,589 0.007,590 0.375,591 0.33,592 1,593 2.493,594 98.185,595 -0.107,596 -0.057,597 0.004,598 0.028,599 -0.145,600 0.032,601 0.19,602 -0.055,603 0.054,604 -0.086,605 0.206,606 -0.049,607 0.017,608 -0.038,609 0.063,610 -0.009,611 0.056,612 0.029,613 -0.063,614 -0.032,615 0.008,616 -0.008,617 -0.051,618 0.012,619 0.097,620 -0.097,621 0.071,622 -0.072,623 0.059,624 -0.009,625 -0.153,626 -0.134,627 -0.015,628 0.049,629 -0.109,630 0.042,631 0.197,632 0.103,633 0.04,634 -0.006,635 0.118,636 -0.012,637 -0.283,638 0.003,639 -0.193,640 -0.017,641 -0.222,642 -0.072,643 1.693,644 3.403,645 0.429,646 18.912,647 1.003,648 1.149,649 1.537,650 2.363,651 0.63,652 3.135,653 3.367,654 3.555,655 3.761,656 3.892,657 3.892,658 3.912,659 3.932,660 3.761,661 3.638,662 6.456,663 0.598,664 288.4,665 3.135,666 4.615,667 5.416,668 6.252,669 7.083,670 7.933,671 8.78,672 9.639,673 10.497,674 11.363,675 14.6,676 1,677 1,683 1,684 2,685 1,687 2,688 3,689 1,690 1,693 2,695 10,711 1,714 41,716 12,718 22,720 42,721 14,722 7,725 1,730 2,731 3,733 1,734 1,736 1,743 3,745 9,746 5,750 2,757 1,758 2,759 1,760 1,761 1,764 20,765 6,766 5,767 7,773 6,777 0.5,778 1,786 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 21,828 1,832 1,833 4,834 1,847 2.4,849 1,854 11.167,855 7.217,856 4.889,857 2.528,858 2.918,859 1.458,860 0.935,861 5.722,862 9.295,863 3.401,864 3.956,865 4.518,866 5.127,867 5.607,868 5.939,869 6.279,870 6.637,871 6.576,872 6.689,873 1,874 26,875 7.689,877 3.079,878 7.802,879 14.58,881 11.185,883 2.302,884 48.333,888 176.567,889 64.955,890 117.805,892 42.683,895 64.955,896 219.25,897 117.805,898 8.825,899 42.606,900 45.888,901 80.287,902 55.564,903 15.814,904 153.024,906 176.567,907 182.76,908 42.683,911 153.024,912 66.226,915 121.698,916 35.229,917 25.833,919 176.567,920 160.488,921 64.955,924 176.567,925 19.082,926 45.873,927 34.674,928 125.815,929 176.567,930 160.488,931 64.955,933 0.552,934 0.304,935 0.158,936 0.085,937 11,938 5,939 0.167,940 7,941 1,942 1.222,943 3.483,944 141.655,945 0.222,946 9,947 92.239,951 15.479,952 7.763,953 4.548,954 1.481,955 143.703,956 5.043,957 4.047,958 3.048,961 0.73,963 110.254,964 402.01,965 29,972 1.583,973 8.183,974 0.29,975 41.123,976 47.106,977 0.293,978 0.723,979 0.88,980 0.933,981 0.933,982 0.933,983 4.58,984 0.943,985 5.352,986 2.47,987 4.043,988 4.64,989 1.247,990 6.075,991 3.947,992 5.764,993 0.653,994 6.851,995 1.812,996 3.434,997 4.388,998 0.623,999 6.843,1000 3.277,1001 7.05,1002 0.152,1003 8.457,1004 1.443,1005 5.533,1006 6.858,1007 1.347,1008 9.94,1009 5.348,1010 8.38,1011 -0.153,1012 10.13,1013 0.26,1014 5.802,1015 7.542,1016 1.024,1017 11.648,1018 5.572,1019 9.747,1020 -0.477,1021 11.849,1022 -0.332,1023 7.327,1024 9.438,1025 1.533,1026 14.248,1027 7.07,1028 11.143,1029 -0.759,1030 13.603,1031 -1.101,1032 8.038,1033 10.571,1034 1.382,1035 16.342,1036 7.751,1037 12.561,1038 -0.877,1039 15.384,1040 -1.358,1041 9.319,1042 12.234,1043 1.767,1044 18.776,1045 9.004,1046 3.087,1047 -1.142,1048 17.185,1049 -2.617,1050 10.25,1051 13.579,1052 1.73,1053 21.021,1054 9.912,1055 2.388,1056 10.343,1057 19.003,1058 -2.805,1059 11.432,1060 15.147,1061 2.038,1062 23.394,1063 11.065,1064 2.255,1065 6.257,1066 20.833,1067 4.512,1068 12.468,1069 16.585,1070 2.077,1071 25.696,1072 12.078,1073 1.936,1074 6.055,1075 22.674,1076 3.11,1077 13.611,1078 18.116,1079 2.335,1080 28.047,1081 13.193,1082 1.719,1083 5.693,1084 24.523,1085 3.002,1086 14.696,1087 19.594,1088 2.426,1089 30.371,1090 14.252,1091 1.329,1092 3.514,1093 26.379,1094 2.722,1095 15.826,1096 21.111,1097 2.653,1098 32.713,1099 15.353,1100 1.147,1101 3.341,1102 28.239,1103 1.961,1104 16.933,1105 22.605,1106 2.777,1107 35.044,1108 16.431,1109 4778,1110 7816,1111 14.504,1112 25.819,1113 31.657,1114 31.43,1115 32.381,1116 31.285,1117 31.218,1118 41.354,1119 2.658,1120 82.375,1121 29.678,1122 5.356,1123 5.12,1124 6.48,1125 5.096,1126 5.087,1127 7.512,1128 2.129,1129 17.002,1130 4.94,1131 10.236,1132 1.439,1133 1.429,1134 1.472,1135 1.422,1136 1.419,1137 1.88,1138 0.121,1139 3.744,1140 1.349,1141 4.106,1142 4.146,1143 4.075,1144 3.984,1145 6.476,1146 4.002,1147 3.757,1148 3.832,1149 3.634,1150 3.599,1151 5.166,1152 3.587,1153 3.566,1154 3.652,1155 3.452,1156 3.348,1157 4.998,1158 3.367,1159 3.435,1160 3.487,1161 3.341,1162 3.254,1163 4.586,1164 3.266,1165 3.25,1166 3.345,1167 3.096,1168 3.001,1169 4.278,1170 3.01,1171 3.075,1172 3.174,1173 2.913,1174 2.804,1175 4.18,1176 2.831,1177 2.795,1178 2.876,1179 2.678,1180 2.524,1181 4.063,1182 2.553,1183 2.722,1184 2.858,1185 2.403,1186 2.424,1187 3.849,1188 2.402,1189 0.207,1190 0.142,1191 0.297,1192 0.184,1193 0.14,1194 4.554,1195 0.205,1196 3.12,1197 0.055,1198 6.543,1199 0.47,1200 4.055,1201 0.136,1202 3.087,1203 4.512,1204 1.2,1205 10.343,1206 2.988,1207 1.863,1208 1.835,1209 2.001,1210 2.001,1211 1.309,1212 1.981,1213 1.742,1214 1.674,1215 1.93,1216 1.933,1217 1.019,1218 1.953,1219 1.58,1220 1.524,1221 1.732,1222 1.81,1223 0.902,1224 1.792,1225 1.441,1226 1.358,1227 1.682,1228 1.691,1229 0.727,1230 1.688,1231 1.201,1232 1.104,1233 1.46,1234 1.498,1235 0.454,1236 1.511,1237 1.057,1238 0.998,1239 1.266,1240 1.345,1241 0.268,1242 1.325,1243 0.792,1244 0.695,1245 1.201,1246 1.089,1247 0.179,1248 1.137,1249 0.709,1250 0.585,1251 0.993,1252 1.078,1253 0.026,1254 1.057,1255 3.807,1257 5.056,1258 2.398,1259 6.488,1260 4.727,1261 8.016,1262 6.823,1263 9.605,1265 2.142,1269 5.694,1270 9.403,1271 4.019,1272 2.67,1280 24.531,1281 64.408,1282 158.851,1283 193.395,1284 204.905,1285 204.905,1286 204.905,1287 33.431,1288 6.377,1289 111.68,1290 111.68,1291 11,1292 11.912,1293 3.7,1294 3,1295 39.732,1296 81,1297 93,1298 0.239,1299 157.474,1300 263.19,1301 375.997,1302 4559,1304 15.079,1305 0.718,1306 0.572,1307 15.079,1308 12.004,1309 10.203,1310 0.464,1311 0.317,1312 6.857,1313 9.755,1314 6.713,1315 5.674,1316 10.203,1317 6.965,1318 8.565,1319 0.306,1320 0.166,1321 8.565,1322 4.654,1323 6.646,1324 0.195,1325 0.087,1326 6.646,1327 2.964,1328 5.216,1329 0.124,1330 0.045,1331 5.216,1332 1.872,1333 3.972,1334 0.083,1335 0.022,1336 3.972,1337 1.068,1338 0.388,1339 64.353,1340 0.263,1341 21.564,1342 0.615,1343 100,1344 299.063,1345 112.011,1346 294.34,1347 401.11,1348 274,1349 112,1350 299.876,1351 123.486,1352 302.539,1353 434.21,1354 284,1355 6.58} {0 CHEMBL74594,1 1.437,2 13.615,3 4.76,4 22.66,5 108.467,6 6.464,7 0.37,8 4.061,9 4.213,10 3.487,11 3.531,12 5.108,13 3.487,14 4.576,15 4.792,16 3.748,17 3.868,18 5.539,19 3.787,20 4.757,21 5.003,22 3.733,23 3.942,24 5.676,25 3.831,26 4.813,27 5.092,28 3.664,29 3.893,30 5.67,31 3.765,32 4.759,33 5.049,34 3.586,35 3.771,36 5.633,37 3.656,38 4.567,39 4.825,40 3.579,41 3.734,42 5.505,43 3.642,44 4.574,45 4.815,46 3.583,47 3.785,48 5.564,49 3.673,50 4.684,51 4.973,52 3.438,53 3.766,54 5.54,55 3.62,56 0.095,57 0.8,58 13.167,59 4.784,60 12.317,61 7.137,62 0.239,63 1.164,64 22.422,65 7.797,66 26.885,67 11.629,68 0.291,69 1.299,70 27.086,71 8.7,72 34.25,73 13.468,74 0.281,75 1.282,76 28.683,77 8.617,78 34.008,79 13.873,80 0.42,81 1.153,82 27.717,83 7.478,84 40.227,85 12.258,86 0.298,87 1.085,88 22.591,89 6.29,90 29.939,91 10.495,92 0.282,93 1.146,94 22.51,95 6.843,96 32.288,97 11.131,98 0.269,99 1.137,100 25.196,101 7.225,102 34.849,103 12.052,104 38,105 34,106 0.24,107 0.613,108 0.817,109 0.86,110 0.86,111 0.86,112 3.303,113 1.007,114 -4.47,115 -4.4,116 -4.15,119 36.4,120 3,121 3,125 2,134 1,135 1,140 3,141 2,142 1,149 1,150 1,153 1,157 1,161 1,162 1,163 1,166 1,169 9,172 5,173 1,174 2,175 1,176 3,177 1,178 8,181 1,182 5,183 1,184 1,186 3,189 4,193 5,195 1,197 3,199 3,201 1,203 4,206 1,207 1,208 4,211 4,213 2,214 1,215 3,220 4,222 7,224 2,226 2,229 2,230 1,231 5,232 1,233 6,235 2,237 3,242 2,244 4,246 1,248 1,249 2,251 1,252 1,254 5,256 3,258 1,259 1242,260 17.543,261 17.543,262 17.543,263 17.543,264 17.543,265 15.505,266 15.478,267 11.034,268 17.909,269 13.33,270 13.33,271 13.33,272 13.33,273 13.33,274 10.377,275 14.919,276 5.265,277 13.898,278 4.344,279 2.104,280 0.882,281 0.623,282 0.623,283 0.623,284 3.971,288 1,289 1,290 716,291 4.359,294 66.993,295 77.369,298 120.869,302 2.201,303 15.633,305 1,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 55.5,315 354,316 4.557,317 3.149,318 6.547,319 4.075,320 3.092,321 4.514,322 1.2,323 10.361,324 3.04,325 3.782,326 2.921,327 5.319,328 3.355,329 2.418,330 3.165,331 1.151,332 6.87,333 2.272,334 3.732,335 2.818,336 5.108,337 3.284,338 2.365,339 3.015,340 0.68,341 6.124,342 2.193,343 3.628,344 2.594,345 5.023,346 3.182,347 2.19,348 2.891,349 0.129,350 5.888,351 2.145,352 3.401,353 2.16,354 4.649,355 2.924,356 1.96,357 2.735,359 5.153,360 1.882,361 2.882,362 1.784,363 4.161,364 2.707,365 1.719,366 1.966,368 3.562,369 1.697,370 2.715,371 1.693,372 3.722,373 2.307,374 1.338,375 1.731,377 3.35,378 1.294,379 2.612,380 1.558,381 3.431,382 2.133,383 1.189,384 1.579,386 2.524,387 1.118,388 2.23,389 1.229,390 3.315,391 2.013,392 1.066,393 1.18,395 2.269,396 1,397 2.051,398 1.128,399 3.172,400 1.884,401 0.927,402 1.015,404 1.785,405 0.883,406 1.973,407 0.743,408 2.921,409 1.598,410 0.636,411 0.833,413 1.418,414 0.61,415 1.342,416 0.415,417 2.5,418 1.111,419 0.154,420 0.167,422 0.267,423 0.147,424 1.143,425 0.322,426 2.447,427 0.892,428 -0.051,429 -0.058,431 -0.115,432 -0.048,433 0.897,434 -0.009,435 2.167,436 0.654,437 -0.295,438 -0.352,440 -0.673,441 -0.279,442 0.692,443 -0.32,444 2,445 0.234,446 -0.723,447 -0.805,449 -1.333,450 -0.681,451 12.333,452 0.474,453 0.489,454 0.019,455 28.25,456 1.087,457 12.5,458 0.481,459 15.75,460 0.606,461 23.479,462 0.903,463 29.667,464 0.539,465 19.804,466 0.762,467 5.635,468 0.217,469 6.961,470 0.268,471 0.154,473 0.243,479 0.984,480 1.338,481 0.978,482 1.203,483 1.118,484 1.102,485 1.005,486 1.086,487 0.942,488 1.078,489 0.729,490 1.021,491 1.165,492 1.113,493 1.052,494 1.098,495 1.006,496 1.071,497 1.056,498 1.088,499 0.945,500 1.023,501 0.973,502 0.975,503 1.502,504 0.856,505 0.926,506 0.75,507 1.304,508 0.774,509 1.303,510 1.063,511 1.005,512 0.871,513 1.242,514 0.893,515 0.865,516 1.257,517 1.141,518 1.194,519 1.199,520 1.189,521 1.113,522 0.989,523 1.058,524 0.933,525 1.333,526 0.968,527 4.5,528 0.09,529 2.222,530 1.229,531 0.733,532 0.618,533 0.421,534 0.287,535 0.267,536 0.175,537 8404,538 18055,539 1.974,540 52.7,541 13,542 8,543 1,544 1,545 4,547 2,550 1.686,551 1.857,552 3.703,553 1.697,559 79.045,560 1.437,561 3.677,562 4.899,563 5.158,564 5.158,565 5.158,566 3.229,567 4.47,568 4.66,569 3.881,570 1261.36,571 8.059,572 17156.6,574 1,577 317.975,578 1.335,579 4.634,580 0.167,581 0.006,582 0.065,583 0.038,584 0.025,585 0.023,586 0.015,587 0.011,588 0.012,589 0.008,590 0.37,592 1,593 2.639,594 131.851,595 0.014,596 -0.013,597 0.031,598 -0.023,599 -0.087,600 0.003,601 0.093,602 0.046,603 0.06,604 0.001,605 0.206,606 0.02,607 -0.026,608 -0.051,609 -0.049,610 -0.078,611 0.005,612 -0.07,613 0.009,614 -0.104,615 0.048,616 -0.058,617 0.04,618 -0.006,619 -0.024,620 0.077,621 0.11,622 0.153,623 -0.04,624 0.146,625 -0.073,626 0.009,627 0.019,628 0.091,629 -0.045,630 0.069,631 0.073,632 -0.116,633 -0.143,634 -0.186,635 -0.024,636 -0.192,637 -0.146,638 0.013,639 -0.068,640 0.007,641 -0.185,642 -0.014,643 1.331,644 2.267,645 0.346,646 33.254,647 0.99,648 1.14,649 3.243,650 10.515,651 0.629,652 3.332,653 3.555,654 3.714,655 3.912,656 4.06,657 4.159,658 4.248,659 4.331,660 4.317,661 4.277,662 7.718,663 0.584,664 355.54,665 3.332,666 4.812,667 5.602,668 6.431,669 7.252,670 8.098,671 8.938,672 9.795,673 10.648,674 11.514,675 9.1,676 1,677 1,683 1,684 2,687 2,688 4,690 1,693 2,695 10,712 1,714 55,716 13,717 1,718 27,720 56,721 20,722 8,723 3,724 3,725 1,730 2,731 3,733 1,734 1,736 3,743 3,745 12,746 8,750 3,757 2,758 2,759 2,764 29,765 5,766 4,767 6,773 5,777 0.5,778 1,788 1,792 1,793 1,796 1,810 1,811 1,812 1,819 1,823 3,827 26,828 1,833 5,834 1,835 1,847 1.8,852 1,854 14,855 10.4,856 6.056,857 3.419,858 3.111,859 1.452,860 0.945,861 8.388,862 9.986,863 3.584,864 4.115,865 4.621,866 5.204,867 5.694,868 6.086,869 6.481,870 6.88,871 6.996,872 7.216,873 1,874 32,875 9.557,877 3.73,878 7.577,879 18.548,881 14.141,883 2.077,884 54,886 1,887 1,888 294.278,889 115.008,890 101.019,892 11,895 115.008,896 305.277,897 101.019,898 26.476,899 47.199,900 64.841,901 20.819,902 75.421,903 15.814,904 270.735,906 294.278,907 216.027,908 11,911 270.735,912 34.542,915 141.797,916 55.707,917 18.524,919 294.278,920 112.019,921 115.008,924 294.278,925 32.532,926 82.475,927 34.674,928 77.346,929 294.278,930 112.019,931 115.008,933 0.551,934 0.29,935 0.147,936 0.078,937 12,938 6,939 0.179,940 10,941 1,942 1.222,943 3.959,944 188.552,945 0.222,946 9,947 120.211,951 20.211,952 10.79,953 6.976,954 2.075,955 95.234,956 7.873,958 3.228,961 1.785,963 67.571,964 521.305,965 35,972 3.781,973 8.418,974 1.573,975 54.44,976 62.683,977 0.249,978 0.636,979 0.847,980 0.892,981 0.892,982 0.892,983 4.766,984 1.189,985 5.533,986 3.35,987 4.234,988 4.8,989 1.954,990 6.236,991 4.155,992 5.945,993 1.066,994 7.02,995 2.524,996 3.611,997 4.527,998 0.623,999 6.969,1000 3.514,1001 7.224,1002 0.927,1003 8.611,1004 2.269,1005 5.707,1006 6.975,1007 2.052,1008 10.047,1009 5.563,1010 8.546,1011 0.636,1012 10.269,1013 1.785,1014 5.943,1015 7.624,1016 1.024,1017 11.724,1018 5.792,1019 9.902,1020 0.154,1021 11.973,1022 1.418,1023 7.47,1024 9.509,1025 2.249,1026 14.312,1027 7.282,1028 11.285,1029 -0.051,1030 13.713,1031 0.267,1032 8.145,1033 10.617,1034 1.382,1035 16.39,1036 7.959,1037 12.69,1038 -0.295,1039 15.48,1040 -0.115,1041 9.427,1042 12.273,1043 2.493,1044 18.816,1045 9.214,1046 3.092,1047 -0.723,1048 17.268,1049 -0.673,1050 10.331,1051 13.604,1052 1.73,1053 21.054,1054 10.12,1055 2.418,1056 10.361,1057 19.075,1058 -1.333,1059 11.511,1060 15.169,1061 2.764,1062 23.424,1063 11.281,1064 2.365,1065 6.87,1066 20.896,1067 4.514,1068 12.53,1069 16.601,1070 2.077,1071 25.724,1072 12.299,1073 2.19,1074 6.124,1075 22.728,1076 3.165,1077 13.671,1078 18.13,1079 3.051,1080 28.074,1081 13.424,1082 1.96,1083 5.888,1084 24.57,1085 3.015,1086 14.747,1087 19.605,1088 2.426,1089 30.397,1090 14.494,1091 1.719,1092 5.153,1093 26.419,1094 2.891,1095 15.875,1096 21.121,1097 3.35,1098 32.74,1099 15.608,1100 1.338,1101 3.562,1102 28.275,1103 2.735,1104 16.977,1105 22.614,1106 2.777,1107 35.072,1108 16.7,1109 8620,1110 12825,1111 17.682,1112 34.62,1113 38.7,1114 38.518,1115 39.328,1116 38.123,1117 38.11,1118 49.586,1119 6.32,1120 99.144,1121 36.562,1122 5.359,1123 5.149,1124 6.484,1125 5.128,1126 5.092,1127 7.514,1128 2.351,1129 17.02,1130 5.04,1131 14.041,1132 1.433,1133 1.427,1134 1.457,1135 1.412,1136 1.411,1137 1.837,1138 0.234,1139 3.672,1140 1.354,1141 4.127,1142 4.159,1143 4.09,1144 4.039,1145 5.166,1146 4.047,1147 3.759,1148 3.834,1149 3.634,1150 3.625,1151 5.009,1152 3.614,1153 3.729,1154 3.777,1155 3.615,1156 3.595,1157 4.68,1158 3.585,1159 3.566,1160 3.651,1161 3.448,1162 3.364,1163 4.541,1164 3.38,1165 3.448,1166 3.499,1167 3.347,1168 3.261,1169 4.34,1170 3.275,1171 3.263,1172 3.355,1173 3.113,1174 3.018,1175 4.272,1176 3.029,1177 3.127,1178 3.212,1179 2.938,1180 2.914,1181 4.065,1182 2.912,1183 3.03,1184 3.13,1185 2.833,1186 2.797,1187 3.945,1188 2.792,1189 0.169,1190 0.117,1191 0.242,1192 0.151,1193 0.115,1194 4.557,1195 0.167,1196 3.149,1197 0.044,1198 6.547,1199 0.384,1200 4.075,1201 0.113,1202 3.092,1203 4.514,1204 1.2,1205 10.361,1206 3.04,1207 1.931,1208 1.914,1209 2.012,1210 2.024,1211 1.309,1212 2.02,1213 1.742,1214 1.676,1215 2.001,1216 1.933,1217 1.156,1218 1.954,1219 1.721,1220 1.672,1221 1.935,1222 1.86,1223 1.065,1224 1.887,1225 1.581,1226 1.525,1227 1.733,1228 1.81,1229 0.902,1230 1.792,1231 1.444,1232 1.36,1233 1.687,1234 1.694,1235 0.732,1236 1.693,1237 1.218,1238 1.141,1239 1.49,1240 1.508,1241 0.631,1242 1.52,1243 1.157,1244 1.077,1245 1.458,1246 1.433,1247 0.469,1248 1.447,1249 0.992,1250 0.906,1251 1.417,1252 1.277,1253 0.454,1254 1.308,1255 4.007,1257 5.252,1258 2.398,1259 6.668,1260 4.727,1261 8.177,1262 6.823,1263 9.748,1265 6.271,1269 5.803,1271 4.658,1272 2.768,1273 5.767,1280 32.143,1281 79.045,1282 202.245,1283 269.445,1284 283.71,1285 283.71,1286 283.71,1287 45.089,1288 6.875,1289 87.79,1290 87.79,1291 11,1292 12.064,1293 3.807,1294 3.17,1295 55.347,1296 116,1297 142,1298 0.226,1299 205.306,1300 353.35,1301 492.708,1302 8889,1304 18.778,1305 0.722,1306 0.611,1307 18.778,1308 15.88,1309 12.597,1310 0.467,1311 0.336,1312 8.95,1313 12.143,1314 8.617,1315 7.342,1316 12.597,1317 9.061,1318 10.651,1319 0.313,1320 0.188,1321 10.651,1322 6.388,1323 7.887,1324 0.197,1325 0.096,1326 7.887,1327 3.853,1328 6.165,1329 0.126,1330 0.049,1331 6.165,1332 2.387,1333 4.603,1334 0.081,1335 0.025,1336 4.603,1337 1.41,1338 0.369,1339 78.639,1340 0.238,1341 26.051,1342 0.581,1343 122,1344 325.004,1345 133.286,1346 319.258,1347 438.72,1348 300,1349 135,1350 325.483,1351 145.955,1352 331.887,1353 473.56,1354 310,1355 4} {0 CHEMBL75420,1 1.456,2 12.375,3 4.021,4 16.168,5 98.515,6 6.461,7 0.4,8 3.992,9 4.145,10 3.418,11 3.446,12 5.034,13 3.407,14 4.515,15 4.731,16 3.701,17 3.789,18 5.485,19 3.715,20 4.732,21 4.987,22 3.667,23 3.857,24 5.646,25 3.755,26 4.696,27 4.97,28 3.603,29 3.821,30 5.567,31 3.701,32 4.646,33 4.918,34 3.531,35 3.741,36 5.553,37 3.618,38 4.617,39 4.904,40 3.465,41 3.677,42 5.489,43 3.557,44 4.489,45 4.749,46 3.476,47 3.63,48 5.456,49 3.523,50 4.525,51 4.801,52 3.231,53 3.572,54 5.441,55 3.429,56 0.089,57 0.745,58 12.329,59 4.348,60 12.391,61 6.586,62 0.218,63 1.082,64 21.168,65 7.147,66 26.078,67 10.793,68 0.374,69 1.192,70 26.828,71 7.884,72 38.132,73 12.409,74 0.257,75 1.172,76 25.458,77 7.533,78 30.203,79 12.382,80 0.294,81 1.097,82 24.337,83 6.922,84 33.404,85 11.548,86 0.32,87 1.04,88 23.803,89 6.301,90 32.901,91 10.854,92 0.28,93 1.001,94 20.808,95 5.719,96 30.078,97 9.782,98 0.267,99 0.961,100 21.754,101 5.316,102 33.849,103 9.568,104 32,105 32,106 0.247,107 0.601,108 0.782,109 0.857,110 0.857,111 0.857,112 3.227,113 1.016,114 -4.09,115 -4.04,116 -3.82,119 35.3,120 3,121 3,125 1,127 1,140 3,141 2,142 1,149 1,150 1,153 1,157 1,161 1,162 1,163 1,166 1,169 6,172 6,173 1,174 2,175 1,176 3,177 1,178 6,181 1,182 4,183 1,184 1,186 3,189 4,193 3,195 1,197 3,199 5,201 1,203 4,206 1,207 1,208 4,211 4,213 2,214 1,215 3,220 4,222 2,224 2,226 2,229 2,230 1,231 6,232 1,233 1,235 2,237 4,242 1,244 2,246 1,248 1,249 1,251 1,252 1,254 4,256 3,258 1,259 944,260 16.129,261 16.129,262 16.129,263 16.129,264 16.129,265 14.48,266 13.703,267 10.089,268 16.516,269 12.347,270 12.347,271 12.347,272 12.347,273 12.347,274 9.887,275 13.908,276 4.809,277 12.954,278 4.217,279 2.136,280 1.074,281 0.633,282 0.633,283 0.633,284 3.893,287 1,288 1,289 1,290 606,291 4.123,294 59.619,295 69.504,298 108.331,302 1.906,303 15.181,305 1,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 51.5,315 297,316 4.558,317 3.165,318 6.547,319 4.077,320 3.094,321 4.515,322 1.2,323 10.363,324 3.041,325 3.79,326 2.929,327 5.406,328 3.415,329 2.491,330 3.175,331 0.86,332 7.143,333 2.298,334 3.738,335 2.868,336 5.122,337 3.291,338 2.378,339 3.015,340 0.129,341 6.133,342 2.17,343 3.42,344 2.219,345 5.024,346 2.994,347 2.026,348 2.747,350 5.913,351 1.949,352 3.012,353 2.012,354 4.431,355 2.787,356 1.828,357 2.065,359 4.565,360 1.745,361 2.877,362 1.78,363 4.135,364 2.706,365 1.718,366 1.94,368 3.511,369 1.696,370 2.71,371 1.558,372 3.722,373 2.3,374 1.328,375 1.724,377 3.341,378 1.288,379 2.592,380 1.233,381 3.417,382 2.108,383 1.146,384 1.555,386 2.473,387 1.099,388 2.125,389 1.13,390 3.216,391 1.9,392 0.944,393 1.044,395 1.821,396 0.9,397 1.993,398 0.733,399 2.925,400 1.619,401 0.658,402 0.873,404 1.461,405 0.63,406 1.346,407 0.386,408 2.637,409 1.112,410 0.156,411 0.17,413 0.272,414 0.149,415 1.125,416 0.178,417 2.448,418 0.87,419 -0.064,420 -0.073,422 -0.149,423 -0.059,424 0.87,425 -0.04,426 2.181,427 0.6,428 -0.338,429 -0.405,431 -0.814,432 -0.315,433 0.622,434 -0.495,435 2,436 0.211,437 -0.756,438 -0.807,440 -1.342,441 -0.728,442 0.461,443 -0.638,444 1.934,445 0.129,446 -0.852,447 -1,449 -2,450 -0.812,451 11.333,452 0.472,453 0.489,454 0.02,455 26.25,456 1.094,457 11.5,458 0.479,459 14.75,460 0.615,461 21.357,462 0.89,463 27.667,464 0.542,465 17.824,466 0.743,467 5.04,468 0.21,469 6.556,470 0.273,471 0.168,473 0.265,479 0.986,480 1.374,481 0.977,482 1.226,483 1.14,484 1.113,485 0.967,486 1.14,487 0.923,488 1.135,489 0.669,490 1.045,491 1.548,492 0.96,493 1.051,494 0.914,495 1.154,496 0.935,497 0.952,498 1.08,499 0.94,500 0.992,501 0.959,502 0.962,503 0.936,504 1.131,505 1.004,506 1.068,507 1.131,508 1.039,509 1.154,510 1.019,511 0.954,512 0.854,513 1.158,514 0.871,515 0.841,516 1.226,517 1.027,518 1.092,519 1.069,520 1.072,521 1.412,522 1.179,523 1.343,524 1.124,525 1.625,526 1.191,527 4.5,528 0.107,529 2,530 1.354,531 0.813,532 0.535,533 0.493,534 0.3,535 0.159,536 0.106,537 6590,538 14182,539 1.972,540 52.9,541 7,542 6,543 1,544 1,545 4,547 8,550 1.664,551 1.846,552 3.568,553 1.777,555 1,559 74.243,560 1.456,561 3.536,562 4.598,563 5.04,564 5.04,565 5.04,566 3.074,567 4.502,568 4.548,569 3.741,570 1032.54,571 7.827,572 12992.7,574 1,576 1,577 289.294,578 1.384,579 4.513,580 0.18,581 0.008,582 0.063,583 0.045,584 0.029,585 0.021,586 0.021,587 0.013,588 0.009,589 0.007,590 0.395,591 0.17,592 1,593 2.557,594 117.71,595 0.007,596 -0.025,597 0.033,598 -0.028,599 -0.109,600 0.003,601 0.12,602 0.005,603 0.078,604 -0.044,605 0.259,606 0.003,607 -0.13,608 0.053,609 -0.022,610 0.073,611 -0.035,612 0.037,613 -0.017,614 -0.057,615 0.043,616 -0.006,617 0.007,618 0.023,619 0.063,620 -0.102,621 -0.011,622 -0.099,623 -0.047,624 -0.067,625 -0.036,626 -0.036,627 0.051,628 0.075,629 -0.041,630 0.074,631 0.116,632 -0.128,633 -0.027,634 -0.122,635 0.106,636 -0.099,637 -0.287,638 -0.118,639 -0.328,640 -0.214,641 -0.355,642 -0.262,643 1.328,644 2.24,645 0.375,646 26.083,647 0.991,648 1.143,649 2.863,650 8.195,651 0.625,652 3.258,653 3.497,654 3.664,655 3.892,656 4.025,657 4.111,658 4.234,659 4.263,660 4.127,661 4.078,662 7.072,663 0.581,664 329.5,665 3.258,666 4.745,667 5.541,668 6.382,669 7.209,670 8.064,671 8.91,672 9.775,673 10.633,674 11.505,675 9.8,676 1,677 1,683 1,684 2,687 2,688 4,690 1,693 2,695 10,712 1,714 51,716 12,717 1,718 25,720 52,721 18,722 8,723 3,724 3,725 1,730 2,731 3,733 1,734 1,736 3,743 4,745 10,746 8,750 2,757 1,758 2,759 1,761 1,764 27,765 5,766 4,767 6,773 5,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 3,827 24,828 1,833 4,834 1,835 1,837 1,847 2,852 1,854 13,855 9.65,856 5.556,857 3.308,858 2.911,859 1.434,860 0.943,861 7.283,862 9.612,863 3.497,864 4.03,865 4.571,866 5.187,867 5.675,868 6.061,869 6.466,870 6.832,871 6.839,872 7.028,873 1,874 30,875 8.825,877 3.473,878 7.59,879 17.116,881 13.172,883 2.09,884 50.167,886 1,887 1,888 270.735,889 97.754,890 101.019,892 11,895 97.754,896 281.735,897 101.019,898 26.476,899 42.606,900 55.364,901 20.819,902 72.236,903 15.814,904 247.193,906 270.735,907 198.773,908 11,911 176.567,912 105.169,915 137.204,916 52.521,917 9.047,919 270.735,920 112.019,921 97.754,924 270.735,925 24.754,926 72.999,927 34.674,928 77.346,929 270.735,930 112.019,931 97.754,933 0.554,934 0.294,935 0.156,936 0.082,937 12,938 6,939 0.173,940 9,941 1,942 1.222,943 3.73,944 171.329,945 0.222,946 9,947 108.039,951 18.494,952 9.451,953 5.953,954 2.089,955 95.234,956 7.874,958 3.219,961 1.808,963 67.571,964 480.508,965 32,972 1.729,973 8.393,974 0.339,975 50.556,976 58.268,977 0.257,978 0.623,979 0.811,980 0.888,981 0.888,982 0.888,983 4.687,984 1.146,985 5.485,986 3.341,987 4.174,988 4.714,989 1.601,990 6.209,991 4.084,992 5.863,993 0.944,994 6.984,995 2.473,996 3.611,997 4.46,998 0.623,999 6.969,1000 3.477,1001 7.142,1002 0.658,1003 8.586,1004 1.821,1005 5.666,1006 6.9,1007 1.597,1008 10.054,1009 5.496,1010 8.463,1011 0.156,1012 10.253,1013 1.461,1014 5.943,1015 7.574,1016 1.024,1017 11.734,1018 5.748,1019 9.822,1020 -0.064,1021 11.965,1022 0.272,1023 7.451,1024 9.462,1025 1.694,1026 14.328,1027 7.229,1028 11.21,1029 -0.338,1030 13.711,1031 -0.149,1032 8.153,1033 10.59,1034 1.382,1035 16.402,1036 7.925,1037 12.621,1038 -0.756,1039 15.482,1040 -0.814,1041 9.426,1042 12.25,1043 1.865,1044 18.83,1045 9.18,1046 3.094,1047 -0.852,1048 17.275,1049 -1.342,1050 10.346,1051 13.592,1052 1.73,1053 21.064,1054 10.1,1055 2.491,1056 10.363,1057 19.083,1058 -2,1059 11.522,1060 15.159,1061 2.094,1062 23.434,1063 11.263,1064 2.378,1065 7.143,1066 20.905,1067 4.515,1068 12.549,1069 16.596,1070 2.077,1071 25.731,1072 12.289,1073 2.026,1074 6.133,1075 22.739,1076 3.175,1077 13.688,1078 18.126,1079 2.366,1080 28.081,1081 13.416,1082 1.828,1083 5.913,1084 24.581,1085 3.015,1086 14.767,1087 19.603,1088 2.426,1089 30.403,1090 14.49,1091 1.718,1092 4.565,1093 26.43,1094 2.747,1095 15.893,1096 21.12,1097 2.67,1098 32.745,1099 15.605,1100 1.328,1101 3.511,1102 28.285,1103 2.065,1104 16.997,1105 22.614,1106 2.777,1107 35.077,1108 16.7,1109 6764,1110 10099,1111 16.296,1112 31.858,1113 36.161,1114 35.872,1115 36.844,1116 35.582,1117 35.534,1118 45.645,1119 4.378,1120 93.993,1121 33.93,1122 5.36,1123 5.165,1124 6.484,1125 5.117,1126 5.094,1127 7.515,1128 2.129,1129 17.023,1130 5.041,1131 13.086,1132 1.446,1133 1.435,1134 1.474,1135 1.423,1136 1.421,1137 1.826,1138 0.175,1139 3.76,1140 1.357,1141 4.127,1142 4.159,1143 4.09,1144 4.038,1145 5.166,1146 4.047,1147 3.757,1148 3.833,1149 3.634,1150 3.599,1151 5.008,1152 3.588,1153 3.645,1154 3.699,1155 3.525,1156 3.462,1157 4.671,1158 3.467,1159 3.554,1160 3.642,1161 3.419,1162 3.328,1163 4.524,1164 3.34,1165 3.393,1166 3.457,1167 3.264,1168 3.245,1169 4.274,1170 3.246,1171 3.241,1172 3.336,1173 3.078,1174 3.002,1175 4.116,1176 3.009,1177 3.079,1178 3.176,1179 2.914,1180 2.856,1181 4.059,1182 2.865,1183 2.874,1184 3.009,1185 2.712,1186 2.659,1187 3.752,1188 2.664,1189 0.182,1190 0.127,1191 0.262,1192 0.163,1193 0.124,1194 4.558,1195 0.181,1196 3.165,1197 0.048,1198 6.547,1199 0.415,1200 4.077,1201 0.122,1202 3.094,1203 4.515,1204 1.2,1205 10.363,1206 3.041,1207 1.932,1208 1.914,1209 2.013,1210 2.026,1211 1.309,1212 2.022,1213 1.742,1214 1.674,1215 2.001,1216 1.933,1217 1.16,1218 1.954,1219 1.592,1220 1.536,1221 1.869,1222 1.81,1223 1.04,1224 1.82,1225 1.576,1226 1.512,1227 1.733,1228 1.795,1229 0.902,1230 1.792,1231 1.443,1232 1.36,1233 1.687,1234 1.69,1235 0.731,1236 1.691,1237 1.205,1238 1.108,1239 1.464,1240 1.495,1241 0.469,1242 1.512,1243 1.045,1244 0.979,1245 1.417,1246 1.32,1247 0.454,1248 1.309,1249 0.934,1250 0.804,1251 1.262,1252 1.239,1253 0.291,1254 1.308,1255 3.932,1257 5.187,1258 2.398,1259 6.616,1260 4.727,1261 8.139,1262 6.823,1263 9.724,1265 6.181,1269 5.784,1271 4.106,1272 2.761,1273 5.74,1275 0.142,1280 29.617,1281 74.243,1282 180.361,1283 234.5,1284 257.029,1285 257.029,1286 257.029,1287 40.216,1288 6.701,1289 87.79,1290 87.79,1291 11,1292 12.05,1293 3.7,1294 3,1295 48.803,1296 99,1297 122,1298 0.236,1299 189.049,1300 321.39,1301 453.04,1302 6902,1304 17.364,1305 0.723,1306 0.611,1307 17.364,1308 14.673,1309 11.597,1310 0.464,1311 0.339,1312 8.359,1313 11.137,1314 8.071,1315 6.856,1316 11.597,1317 8.466,1318 9.955,1319 0.311,1320 0.186,1321 9.955,1322 5.962,1323 7.298,1324 0.192,1325 0.092,1326 7.298,1327 3.484,1328 5.969,1329 0.124,1330 0.049,1331 5.969,1332 2.338,1333 4.403,1334 0.08,1335 0.025,1336 4.403,1337 1.361,1338 0.383,1339 72.547,1340 0.248,1341 24.18,1342 0.612,1343 114,1344 305.004,1345 125.951,1346 297.98,1347 412.33,1348 280,1349 127,1350 312.392,1351 137.955,1352 314.755,1353 451.04,1354 296,1355 6.54} {0 CHEMBL75642,1 1.378,2 10.778,3 4.185,4 17.513,5 106.975,6 7.406,7 0.645,8 3.983,9 4.109,10 3.573,11 3.576,12 5.049,13 3.55,14 4.54,15 4.72,16 3.952,17 4.016,18 5.481,19 3.968,20 4.791,21 5.008,22 3.946,23 4.154,24 5.696,25 4.057,26 4.872,27 5.121,28 3.856,29 4.139,30 5.756,31 4.011,32 4.804,33 5.083,34 3.805,35 4.021,36 5.66,37 3.9,38 4.607,39 4.821,40 3.781,41 3.966,42 5.543,43 3.872,44 4.663,45 4.912,46 3.639,47 3.92,48 5.524,49 3.792,50 4.548,51 4.814,52 3.465,53 3.755,54 5.401,55 3.619,56 0.035,57 0.743,58 9.634,59 4.081,60 10.334,61 5.563,62 0.156,63 1.26,64 18.548,65 7.068,66 13.056,67 9.851,68 0.173,69 1.525,70 25.24,71 9.787,72 23.091,73 13.852,74 0.194,75 1.593,76 28.761,77 11.01,78 33.813,79 15.82,80 0.269,81 1.462,82 28.233,83 10.571,84 35.772,85 15.38,86 0.168,87 1.282,88 20.886,89 7.984,90 20.848,91 11.296,92 0.228,93 1.305,94 23.371,95 8.713,96 25.133,97 12.498,98 0.156,99 1.134,100 21.344,101 7.839,102 25.07,103 11.397,104 6,105 45,106 0.23,107 0.63,108 0.812,109 0.88,110 0.887,111 0.887,112 3.341,113 0.91,114 -3.92,115 -3.88,116 -3.68,119 45.8,121 3,124 1,125 1,127 1,140 6,141 3,142 1,144 1,149 1,150 2,156 1,158 1,169 8,171 1,172 8,176 3,178 7,182 9,186 3,189 7,193 7,199 6,202 1,203 4,206 2,208 1,211 9,214 1,215 2,220 1,222 9,225 1,226 3,229 1,231 1,233 7,237 3,242 2,244 4,248 1,249 4,254 1,256 2,259 1052,260 18.765,261 18.765,262 18.765,263 18.765,264 18.765,265 16.477,266 19.553,267 10.778,268 19.096,269 15.246,270 15.246,271 15.246,272 15.246,273 15.246,274 11.623,275 18.697,276 5.032,277 15.799,278 4.207,279 1.803,280 0.714,281 0.307,282 0.266,283 0.266,284 4.054,288 1,289 1,290 654,291 2.646,294 175.213,295 127.083,298 196.243,302 1.712,303 13.893,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 56.5,315 291,316 4.647,317 4.058,318 6.734,319 4.17,320 3.208,321 4.603,322 2.035,323 11.002,324 3.102,325 4.505,326 3.284,327 6.537,328 4.027,329 3.055,330 4.447,331 0.8,332 10.327,333 2.958,334 3.983,335 3.163,336 6.039,337 3.739,338 2.789,339 3.453,341 8.631,342 2.65,343 3.826,344 2.972,345 5.766,346 3.489,347 2.515,348 3.033,350 7.878,351 2.444,352 3.651,353 2.565,354 5.216,355 3.129,356 2.148,357 2.858,359 6.402,360 2.105,361 3.318,362 2.206,363 5.104,364 2.899,365 1.925,366 2.597,368 5.895,369 1.872,370 3.037,371 2.058,372 4.568,373 2.501,374 1.536,375 2.304,377 4.428,378 1.48,379 3.029,380 1.536,381 4.233,382 2.324,383 1.354,384 1.946,386 3.722,387 1.312,388 2.747,389 1.455,390 4.049,391 2.217,392 1.27,393 1.717,395 3.345,396 1.2,397 2.606,398 1.312,399 3.94,400 2.109,401 1.139,402 1.322,404 2.984,405 1.102,406 2.341,407 1.199,408 3.417,409 2.051,410 1.077,411 1.123,413 2.383,414 1.046,415 2.146,416 1.117,417 3.268,418 1.658,419 0.704,420 1.092,422 1.674,423 0.67,424 2.085,425 0.759,426 3.211,427 1.568,428 0.614,429 0.935,431 1.379,432 0.584,433 1.971,434 0.582,435 2.827,436 1.298,437 0.356,438 0.613,440 0.594,441 0.334,442 1.083,443 0.049,444 2.752,445 0.831,446 -0.147,447 -0.169,449 -0.382,450 -0.144,451 13,452 0.481,453 0.619,454 0.023,455 37.25,456 1.38,457 19,458 0.704,459 18.25,460 0.676,461 21.315,462 0.789,463 27.2,464 0.567,465 25.28,466 0.936,467 6.963,468 0.258,469 6.262,470 0.232,471 0.069,473 0.369,479 0.918,480 1.303,481 0.771,482 1.012,483 0.475,484 0.901,485 1.132,486 1.023,487 0.881,488 0.879,489 0.432,490 0.858,491 1.026,492 1.064,493 1.032,494 1.051,495 0.504,496 1.044,497 0.912,498 1.051,499 1.017,500 1.068,501 0.81,502 1.056,503 0.63,504 0.775,505 0.732,506 0.787,507 0.585,508 0.774,509 1.033,510 1.088,511 1.049,512 1.075,513 0.651,514 1.066,515 0.969,516 0.949,517 1.078,518 1.042,519 0.695,520 1.066,521 0.968,522 1.03,523 0.988,524 1.017,525 0.673,526 1.007,527 5,528 0.118,529 3.556,530 1.931,531 1.222,532 0.806,533 0.598,534 0.349,535 0.18,536 0.202,537 9408,538 21264,539 2.208,540 43.8,542 12,543 1,544 1,545 1,547 6,550 1.701,551 2.104,552 3.388,553 -0.382,555 1,559 66.122,560 1.378,561 3.782,562 4.871,563 5.278,564 5.319,565 5.319,566 2.876,567 4.607,568 4.725,569 3.545,570 1244.34,571 8.203,572 15610,574 1,576 1,577 268.078,578 1.28,579 4.703,580 0.161,581 0.006,582 0.079,583 0.045,584 0.032,585 0.022,586 0.017,587 0.012,588 0.007,589 0.01,590 0.39,591 0.5,592 0.88,593 0.63,594 133.054,595 0.004,596 -0.189,597 0.076,598 -0.044,599 0.103,600 0.011,601 -0.057,602 0.064,603 0.03,604 0.075,605 0.044,606 0.065,607 -0.114,608 -0.062,609 -0.09,610 -0.068,611 0.079,612 -0.075,613 -0.045,614 -0.103,615 -0.04,616 -0.072,617 -0.001,618 -0.059,619 0.261,620 0.144,621 0.286,622 0.217,623 0.165,624 0.248,625 -0.051,626 -0.071,627 -0.105,628 -0.104,629 -0.008,630 -0.109,631 0.007,632 0.024,633 -0.095,634 -0.063,635 -0.034,636 -0.085,637 -0.031,638 -0.092,639 0.015,640 -0.028,641 0.045,642 -0.006,643 1.031,644 3.09,645 0.852,646 24.25,647 0.991,648 1.121,649 2.693,650 7.254,651 0.69,652 3.466,653 3.829,654 4.174,655 4.477,656 4.673,657 4.844,658 5.063,659 5.242,660 5.308,661 5.46,662 6.281,663 0.653,664 355.48,665 3.466,666 5.03,667 5.916,668 6.817,669 7.716,670 8.622,671 9.527,672 10.435,673 11.343,674 12.253,675 10.4,678 1,683 2,684 1,685 1,687 4,688 8,689 1,690 1,693 3,694 1,695 20,697 1,714 48,716 21,717 2,718 31,720 52,721 22,722 15,723 6,724 6,730 5,731 7,740 3,743 4,744 1,745 15,746 6,761 1,764 21,765 3,766 1,767 5,770 1,773 5,777 0.6,788 1,789 1,792 3,793 2,796 2,815 1,819 3,823 1,827 27,833 4,837 1,838 1,840 1,843 1,845 1,854 12.833,855 9.05,856 5.833,857 3.026,858 4.295,859 1.526,860 1.05,861 3.914,862 12.463,863 3.784,864 4.437,865 5.143,866 5.808,867 6.368,868 6.863,869 7.421,870 7.931,871 8.26,872 8.748,873 1,874 43,875 9.952,877 4.317,878 7.537,879 19.583,881 16.935,883 2.037,884 55,887 1,888 235.422,889 127.364,890 69.654,895 127.364,896 235.422,897 69.654,898 8.396,899 9.709,900 65.905,901 53.777,902 66.713,903 16.059,904 211.88,906 235.422,907 197.018,911 164.795,912 70.627,915 73.34,916 106.892,917 16.786,919 235.422,920 69.654,921 127.364,924 235.422,925 27.843,926 87.943,927 33.387,928 47.845,929 235.422,930 69.654,931 127.364,933 0.589,934 0.36,935 0.196,936 0.099,937 25,938 10,939 0.058,940 3,941 2,942 1.174,943 3.951,944 246.902,945 0.174,946 23,947 128.382,951 16.411,952 6.439,953 2.794,954 4.311,955 50.969,956 16.145,957 4.484,958 3.422,961 3.105,962 2.092,963 16.786,964 432.44,965 43,975 47.578,976 53.813,977 0.247,978 0.677,979 0.872,980 0.945,981 0.952,982 0.952,983 5.043,984 1.354,985 5.911,986 4.428,987 4.511,988 5.124,989 2.326,990 6.763,991 4.442,992 6.276,993 1.27,994 7.493,995 3.722,996 4.111,997 4.997,998 0.325,999 7.719,1000 4.003,1001 7.604,1002 1.139,1003 9.173,1004 3.345,1005 6.146,1006 7.441,1007 3.576,1008 10.838,1009 6.011,1010 8.971,1011 1.077,1012 10.91,1013 2.984,1014 6.608,1015 8.223,1016 0.268,1017 12.632,1018 6.426,1019 10.372,1020 0.704,1021 12.685,1022 2.383,1023 8.08,1024 10.097,1025 4.964,1026 15.253,1027 7.875,1028 11.798,1029 0.614,1030 14.485,1031 1.674,1032 8.918,1033 11.285,1034 0.188,1035 17.382,1036 8.666,1037 13.243,1038 0.356,1039 16.304,1040 1.379,1041 10.177,1042 12.94,1043 6.378,1044 19.838,1045 9.901,1046 3.208,1047 -0.147,1048 18.136,1049 0.594,1050 11.181,1051 14.312,1052 0.125,1053 22.106,1054 10.863,1055 3.055,1056 11.002,1057 19.978,1058 -0.382,1059 12.36,1060 15.88,1061 7.797,1062 24.507,1063 12.015,1064 2.789,1065 10.327,1066 21.829,1067 4.603,1068 13.438,1069 17.332,1070 0.082,1071 26.835,1072 13.054,1073 2.515,1074 8.631,1075 23.686,1076 4.447,1077 14.588,1078 18.866,1079 9.217,1080 29.218,1081 14.175,1082 2.148,1083 7.878,1084 25.549,1085 3.453,1086 15.7,1087 20.353,1088 0.054,1089 31.573,1090 15.251,1091 1.925,1092 6.402,1093 27.417,1094 3.033,1095 16.842,1096 21.874,1097 10.638,1098 33.952,1099 16.362,1100 1.536,1101 5.895,1102 29.288,1103 2.858,1104 17.97,1105 23.376,1106 0.035,1107 36.32,1108 17.456,1109 8659,1110 13194,1111 21.383,1112 33.12,1113 48.943,1114 50.187,1115 48.682,1116 47.347,1117 47.377,1118 64.085,1119 5.669,1120 141.289,1121 45.715,1122 5.58,1123 6.058,1124 6.282,1125 5.231,1126 5.208,1127 7.603,1128 4.069,1129 18.209,1130 5.102,1131 9.838,1132 1.579,1133 1.619,1134 1.57,1135 1.527,1136 1.528,1137 2.067,1138 0.183,1139 4.558,1140 1.475,1141 4.193,1142 4.23,1143 4.16,1144 4.095,1145 6.82,1146 4.106,1147 4.038,1148 4.076,1149 4.001,1150 3.942,1151 5.065,1152 3.952,1153 3.849,1154 3.915,1155 3.731,1156 3.701,1157 4.907,1158 3.699,1159 3.539,1160 3.588,1161 3.494,1162 3.399,1163 4.382,1164 3.416,1165 3.319,1166 3.373,1167 3.237,1168 3.195,1169 4.3,1170 3.2,1171 3.136,1172 3.249,1173 2.959,1174 2.913,1175 4.185,1176 2.914,1177 3.1,1178 3.185,1179 2.911,1180 2.898,1181 3.811,1182 2.877,1183 3,1184 3.065,1185 2.874,1186 2.846,1187 3.706,1188 2.852,1189 0.15,1190 0.131,1191 0.217,1192 0.135,1193 0.103,1194 4.647,1195 0.148,1196 4.058,1197 0.066,1198 6.734,1199 0.355,1200 4.17,1201 0.1,1202 3.208,1203 4.603,1204 2.035,1205 11.002,1206 3.102,1207 1.992,1208 1.968,1209 2.062,1210 2.084,1211 1.322,1212 2.078,1213 1.886,1214 1.865,1215 1.97,1216 1.963,1217 1.196,1218 1.966,1219 1.702,1220 1.648,1221 1.895,1222 1.877,1223 1.12,1224 1.884,1225 1.556,1226 1.48,1227 1.825,1228 1.767,1229 1.052,1230 1.795,1231 1.422,1232 1.349,1233 1.628,1234 1.67,1235 0.75,1236 1.655,1237 1.356,1238 1.295,1239 1.486,1240 1.562,1241 0.544,1242 1.554,1243 1.121,1244 1.077,1245 1.369,1246 1.31,1247 0.493,1248 1.317,1249 1.011,1250 0.926,1251 1.196,1252 1.263,1253 0.308,1254 1.258,1255 4.143,1257 5.493,1258 3.434,1259 7.031,1260 5.778,1261 8.654,1262 7.84,1263 10.324,1265 2.227,1271 4.844,1275 0.631,1276 2.471,1278 9.09,1279 2.177,1280 31.321,1281 66.122,1282 181.549,1283 233.814,1284 253.323,1285 255.323,1286 255.323,1287 32.047,1288 8.168,1289 60.64,1290 60.64,1291 27,1292 12.769,1293 4.459,1294 3.7,1295 35.783,1296 102,1297 111,1298 0.174,1299 189.532,1300 312.36,1301 454.219,1302 42042,1304 18.38,1305 0.681,1306 0.567,1307 18.38,1308 15.313,1309 13.225,1310 0.427,1311 0.303,1312 9.307,1313 12.849,1314 9.075,1315 7.501,1316 13.225,1317 9.406,1318 11.991,1319 0.266,1320 0.166,1321 11.991,1322 7.454,1323 11,1324 0.172,1325 0.091,1326 11,1327 5.833,1328 9.38,1329 0.108,1330 0.049,1331 9.38,1332 4.264,1333 7.257,1334 0.068,1335 0.026,1336 7.257,1337 2.722,1338 0.271,1339 81.807,1340 0.216,1341 25.751,1342 0.482,1343 152,1344 358.913,1345 161.02,1346 363.252,1347 515.57,1348 342,1349 185,1350 397.831,1351 195.519,1352 409.867,1353 600.85,1354 386,1355 8.886} {0 CHEMBL762,1 1.332,2 7.105,3 3.452,4 11.916,5 79.512,6 6.056,7 0.3,8 3.807,9 3.95,10 3.18,11 3.323,12 4.781,13 3.255,14 4.374,15 4.601,16 3.571,17 3.738,18 5.232,19 3.65,20 4.591,21 4.793,22 3.617,23 3.932,24 5.525,25 3.808,26 4.827,27 5.085,28 3.617,29 3.989,30 5.697,31 3.83,32 4.84,33 5.104,34 3.534,35 3.924,36 5.741,37 3.761,38 4.747,39 5.025,40 3.236,41 3.812,42 5.602,43 3.601,44 4.741,45 5.103,46 2.749,47 3.572,48 5.274,49 3.262,50 4.273,51 4.649,52 2.495,53 3.013,54 4.903,55 2.759,56 0.06,57 0.598,58 10.618,59 4.238,60 9.122,61 6.148,62 0.142,63 0.962,64 18.348,65 7.007,66 14.515,67 10.34,68 0.151,69 1.174,70 22.97,71 8.894,72 24.39,73 12.984,74 0.205,75 1.292,76 28.342,77 10.858,78 34.898,79 15.702,80 0.295,81 1.269,82 29.012,83 9.994,84 48.414,85 14.846,86 0.357,87 1.183,88 26.407,89 8.768,90 44.138,91 13.586,92 0.187,93 0.978,94 24.491,95 8.881,96 23.943,97 13.488,98 0.165,99 0.594,100 15.483,101 4.701,102 24.358,103 7.584,104 38,105 30,106 0.239,107 0.526,108 0.735,109 0.743,110 0.768,111 0.768,112 3.011,113 1.035,114 -4.27,115 -4.21,116 -3.97,119 37.2,120 5,121 1,123 1,125 2,140 1,141 4,142 1,156 1,169 11,172 1,174 1,176 3,178 16,182 1,186 5,189 14,193 2,197 7,199 12,203 3,208 4,211 10,215 1,218 1,219 1,220 1,222 3,226 1,231 1,237 3,242 3,259 374,260 11.886,261 11.886,262 11.886,263 11.886,264 11.886,265 10.73,266 16.599,267 6.72,268 12.048,269 9.82,270 9.82,271 9.82,272 9.82,273 9.82,274 8.09,275 19.526,276 3.172,277 10.096,278 4.094,279 2.488,280 1.321,281 1.274,282 1.135,283 1.135,284 3.65,287 1,288 1,289 1,290 275,291 3.162,294 55.457,295 64.3,302 1.28,303 14.61,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 40,315 135,316 4.658,317 3.662,318 7.285,319 4.419,320 3.425,321 4.314,322 1.505,323 12.394,324 3.405,325 4.179,326 3.299,327 6.524,328 3.955,329 2.961,330 3.447,331 0.368,332 10.017,333 2.944,334 3.813,335 2.968,336 5.606,337 3.426,338 2.489,339 3.058,340 0.265,341 7.214,342 2.33,343 3.48,344 2.458,345 5.289,346 3.127,347 2.154,348 2.77,350 6.489,351 2.09,352 3.027,353 1.932,354 4.883,355 2.71,356 1.718,357 2.158,359 5.163,360 1.702,361 2.266,362 1.523,363 3.706,364 2.179,365 1.211,366 1.25,368 2.717,369 1.17,370 1.809,371 1.106,372 3.377,373 1.518,374 0.618,375 0.672,377 1.372,378 0.556,379 1.607,380 0.922,381 3.121,382 1.437,383 0.454,384 0.507,386 1.219,387 0.445,388 1.477,389 0.816,390 3,391 1.248,392 0.31,393 0.346,395 0.736,396 0.288,397 0.594,398 -0.228,399 2.652,400 0.319,401 -0.663,402 -0.759,404 -1.837,405 -0.651,406 0.335,407 -0.428,408 2.354,409 0.17,410 -0.81,411 -0.92,413 -2.087,414 -0.788,416 -0.916,417 2,419 -1,420 -1,422 -3,423 -1,425 -1,426 2,428 -1,429 -1,431 -3,432 -1,433 -0.162,434 -1,435 1.682,436 -0.397,437 -1.347,438 -1.514,440 -3.349,441 -1.273,442 -0.256,443 -1.052,444 1.534,445 -0.544,446 -1.523,447 -1.646,449 -3.982,450 -1.456,451 9.133,452 0.481,453 0.782,454 0.041,455 19.25,456 1.013,457 8,458 0.421,459 11.25,460 0.592,461 20.464,462 1.077,463 22.067,464 0.513,465 11.845,466 0.623,467 3.474,468 0.183,469 5.329,470 0.28,471 0.31,472 0.055,473 0.328,479 1.012,480 1.352,481 1.05,482 1.204,483 1.096,484 1.142,485 0.697,486 0.923,487 0.769,488 0.858,489 0.56,490 0.82,491 1.025,492 1.248,493 1.246,494 1.32,495 0.971,496 1.299,497 1.045,498 1.122,499 0.993,500 1.143,501 1.209,502 1.085,503 1.627,504 1.119,505 1.102,506 1.045,507 1.823,508 1.045,509 1.13,510 1.106,511 1.335,512 1.189,513 1.114,514 1.26,515 0.505,516 0.821,517 0.756,518 0.865,519 0.567,520 0.841,521 0.991,522 0.71,523 0.57,524 0.528,525 0.989,526 0.52,527 5.5,529 2.889,530 2.035,531 1.711,532 0.646,533 0.354,534 0.243,535 0.117,536 0.074,537 2719,538 5305,539 1.894,540 55.8,541 15,542 5,545 2,546 2,550 1.607,551 1.689,552 2.816,553 0.29,555 1,557 1,559 57.29,560 1.332,561 2.938,562 4.105,563 4.152,564 4.292,565 4.292,566 2.275,567 3.577,568 4.219,569 2.989,570 511.185,571 7.208,572 4908.91,574 1,576 1,577 233.329,578 1.799,579 4.109,580 0.275,582 0.096,583 0.07,584 0.061,585 0.026,586 0.022,587 0.027,588 0.015,589 0.012,590 0.604,591 0.83,592 1,593 0.972,594 80.793,595 -0.06,596 -0.048,597 0.02,598 0.022,599 -0.158,600 0.026,601 0.104,602 0.23,603 0.246,604 0.235,605 0.115,606 0.252,607 -0.109,608 -0.068,609 -0.221,610 -0.197,611 -0.075,612 -0.21,613 0.007,614 -0.141,615 -0.009,616 -0.102,617 0.023,618 -0.064,619 -0.142,620 -0.164,621 -0.082,622 -0.063,623 -0.128,624 -0.074,625 -0.027,626 -0.079,627 -0.335,628 -0.238,629 -0.107,630 -0.304,631 0.101,632 -0.039,633 0.127,634 0.02,635 0.063,636 0.068,637 0.075,638 0.033,639 0.356,640 0.274,641 0.089,642 0.325,643 1.29,644 4.452,645 0.579,646 12.299,647 0.983,648 1.134,649 3.04,650 9.24,651 0.624,652 3.045,653 3.434,654 3.638,655 3.85,656 3.951,657 3.932,658 3.951,659 3.829,660 3.611,661 3.434,662 4.517,663 0.571,664 260.42,665 3.045,666 4.615,667 5.46,668 6.365,669 7.233,670 8.137,671 9.016,672 9.919,673 10.803,674 11.705,675 4.7,677 1,684 1,688 1,693 5,695 6,711 1,714 43,716 7,717 1,718 20,720 44,721 16,722 6,723 5,724 1,730 2,731 2,736 5,737 1,743 1,745 7,746 9,750 1,758 1,759 1,760 1,761 1,764 24,765 3,766 2,767 3,773 2,774 1,777 1,778 1,792 1,793 1,814 1,819 2,823 5,827 19,832 1,833 3,834 1,839 1,847 2.3,849 1,854 11.25,855 9.233,856 4.028,857 2.617,858 1.454,859 1.239,860 0.9,861 3.796,862 7.546,863 3.219,864 3.839,865 4.327,866 4.817,867 5.252,868 5.421,869 5.549,870 5.563,871 5.504,872 5.388,873 0.8,874 29,875 7.056,877 2.904,878 7.566,879 13.852,881 11.354,883 2.066,884 39.25,885 0.002,888 258.964,889 75.418,890 34.796,892 42.683,895 75.418,896 301.648,897 34.796,898 44.126,899 6.746,900 27.487,901 45.011,902 29.528,904 258.964,906 258.964,907 110.215,908 42.683,911 258.964,912 42.683,915 85.668,916 24.546,919 258.964,920 77.48,921 75.418,924 258.964,925 21.816,926 53.602,927 18.011,928 59.469,929 258.964,930 77.48,931 75.418,933 0.608,934 0.345,935 0.174,936 0.087,937 15,938 8,939 0.068,940 3,942 1,943 2.928,944 138.671,946 11,947 73.956,951 14.232,952 5.067,953 2.878,955 77.48,956 2.118,961 4.871,963 60.694,964 411.862,965 24,973 4.438,974 1.036,975 42.251,976 48.773,977 0.246,978 0.541,979 0.757,980 0.765,981 0.791,982 0.791,983 4.516,984 0.454,985 5.541,986 1.372,987 4.111,988 4.522,989 1.696,990 6.444,991 4.065,992 5.782,993 0.31,994 7.182,995 1.219,996 4.111,997 4.649,998 0.904,999 7.745,1000 4.072,1001 7.145,1002 -0.663,1003 8.935,1004 0.736,1005 5.866,1006 6.744,1007 2.113,1008 10.777,1009 5.8,1010 8.544,1011 -0.81,1012 10.753,1013 -1.837,1014 6.608,1015 7.595,1016 1.864,1017 12.814,1018 6.549,1019 9.969,1020 -1,1021 12.61,1022 -2.087,1023 7.962,1024 9.281,1025 2.717,1026 15.483,1027 7.89,1028 11.413,1029 -1,1030 14.493,1031 -3,1032 8.985,1033 10.442,1034 2.755,1035 17.796,1036 8.918,1037 12.871,1038 -1.347,1039 16.395,1040 -3,1041 10.225,1042 11.987,1043 3.416,1044 20.355,1045 10.153,1046 3.425,1047 -1.523,1048 18.312,1049 -3.349,1050 11.359,1051 13.296,1052 3.615,1053 22.78,1054 11.288,1055 2.961,1056 12.394,1057 20.24,1058 -3.982,1059 12.57,1060 14.787,1061 4.169,1062 25.303,1063 12.496,1064 2.489,1065 10.017,1066 22.177,1067 4.314,1068 13.749,1069 16.171,1070 4.458,1071 27.776,1072 13.673,1073 2.154,1074 7.214,1075 24.122,1076 3.447,1077 14.958,1078 17.641,1079 4.951,1080 30.288,1081 14.878,1082 1.718,1083 6.489,1084 26.072,1085 3.058,1086 16.158,1087 19.062,1088 5.291,1089 32.782,1090 16.075,1091 1.211,1092 5.163,1093 28.028,1094 2.77,1095 17.369,1096 20.525,1097 5.749,1098 35.293,1099 17.282,1100 0.618,1101 2.717,1102 29.987,1103 2.158,1104 18.58,1105 21.965,1106 6.119,1107 37.797,1108 18.489,1109 2848,1110 4052,1111 12.137,1112 26.841,1113 31.031,1114 31.648,1115 31.581,1116 30.579,1117 30.68,1118 37.044,1119 4.277,1120 94.64,1121 29.859,1122 5.558,1123 5.662,1124 6.898,1125 5.43,1126 5.425,1127 7.314,1128 2.65,1129 20.262,1130 5.405,1131 12.104,1132 1.552,1133 1.582,1134 1.579,1135 1.529,1136 1.534,1137 1.852,1138 0.214,1139 4.732,1140 1.493,1141 4.03,1142 4.057,1143 3.978,1144 3.972,1145 6.467,1146 3.97,1147 3.779,1148 3.849,1149 3.687,1150 3.602,1151 4.759,1152 3.609,1153 3.606,1154 3.67,1155 3.461,1156 3.475,1157 4.574,1158 3.467,1159 3.276,1160 3.353,1161 3.099,1162 3.126,1163 4.236,1164 3.107,1165 3.089,1166 3.162,1167 2.908,1168 2.94,1169 3.917,1170 2.921,1171 2.957,1172 3.051,1173 2.696,1174 2.744,1175 3.572,1176 2.717,1177 2.874,1178 3.009,1179 2.499,1180 2.618,1181 3.528,1182 2.57,1183 2.874,1184 3.009,1185 2.499,1186 2.618,1187 3.467,1188 2.57,1189 0.233,1190 0.183,1191 0.364,1192 0.221,1193 0.171,1194 4.658,1195 0.216,1196 3.662,1197 0.075,1198 7.285,1199 0.62,1200 4.419,1201 0.17,1202 3.425,1203 4.314,1204 1.505,1205 12.394,1206 3.405,1207 1.997,1208 1.978,1209 2.107,1210 2.074,1211 1.347,1212 2.085,1213 1.671,1214 1.617,1215 1.904,1216 1.823,1217 1.116,1218 1.853,1219 1.446,1220 1.364,1221 1.73,1222 1.681,1223 1.004,1224 1.704,1225 1.379,1226 1.309,1227 1.635,1228 1.615,1229 0.75,1230 1.609,1231 1.3,1232 1.227,1233 1.587,1234 1.511,1235 0.714,1236 1.556,1237 0.977,1238 0.894,1239 1.417,1240 1.242,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.328,1252 1.239,1253 0.407,1254 1.272,1255 3.714,1257 5.081,1258 2.398,1259 6.627,1260 4.443,1261 8.262,1262 6.26,1263 9.95,1265 10.505,1270 10.452,1271 2.578,1272 3.292,1277 -0.04,1280 24.552,1281 57.29,1282 126.336,1283 176.535,1284 178.535,1285 184.535,1286 184.535,1287 35.073,1288 6.091,1289 44.62,1290 44.62,1291 11,1292 12.229,1293 3,1294 2.322,1295 33.494,1296 52,1297 44,1298 0.341,1299 155.336,1300 269.97,1301 370.781,1302 2561,1304 14.207,1305 0.748,1306 0.663,1307 14.207,1308 12.593,1309 8.804,1310 0.44,1311 0.345,1312 6.848,1313 8.599,1314 6.396,1315 5.434,1316 8.804,1317 6.901,1318 8.954,1319 0.298,1320 0.213,1321 8.954,1322 6.375,1323 6.689,1324 0.181,1325 0.103,1326 6.689,1327 3.796,1328 5.285,1329 0.115,1330 0.056,1331 5.285,1332 2.589,1333 3.714,1334 0.073,1335 0.033,1336 3.714,1337 1.685,1338 0.508,1339 54.307,1340 0.287,1341 18.594,1342 1.015,1343 100,1344 218.128,1345 105.601,1346 218.639,1347 302.06,1348 204,1349 117,1350 224.833,1351 122.684,1352 234.97,1353 339.43,1354 218,1355 6.863} {0 CHEMBL76237,1 1.606,2 8.56,3 3.859,4 14.893,5 100.221,6 7.628,7 0.593,8 3.939,9 4.039,10 3.695,11 3.514,12 4.97,13 3.459,14 4.492,15 4.661,16 3.988,17 3.898,18 5.693,19 3.832,20 4.662,21 4.819,22 4.09,23 4.076,24 5.783,25 3.971,26 4.859,27 5.071,28 4.068,29 4.084,30 5.983,31 3.977,32 4.777,33 4.988,34 3.978,35 4.018,36 5.895,37 3.921,38 4.716,39 4.892,40 3.896,41 3.991,42 5.814,43 3.9,44 4.743,45 4.955,46 3.809,47 3.962,48 5.812,49 3.818,50 4.675,51 4.91,52 3.581,53 3.839,54 5.663,55 3.669,56 0.066,57 0.684,58 12.693,59 4.826,60 14.401,61 5.834,62 0.401,63 1.096,64 20.998,65 7.623,66 48.362,67 9.464,68 0.129,69 1.296,70 26.874,71 10.635,72 27.785,73 12.481,74 0.326,75 1.456,76 34.338,77 11.945,78 58.865,79 14.516,80 0.374,81 1.348,82 32.602,83 11.2,84 57.103,85 13.585,86 0.366,87 1.265,88 27.91,89 9.835,90 58.102,91 12.138,92 0.638,93 1.301,94 27.489,95 9.897,96 59.232,97 12.974,98 0.165,99 1.196,100 32.657,101 11.319,102 38.486,103 13.856,104 32,105 39,106 0.273,107 0.566,108 0.731,109 0.803,110 0.813,111 0.813,112 3.268,113 1.056,114 -3.65,115 -3.62,116 -3.44,119 40.4,121 1,124 3,125 1,140 8,141 2,142 2,149 1,150 1,169 8,171 3,172 6,178 8,182 12,189 6,193 14,199 2,202 2,203 11,211 7,215 1,222 12,225 5,226 1,233 9,237 4,244 3,249 4,259 895,260 16.557,261 16.557,262 16.557,263 16.557,264 16.557,265 14.496,266 13.966,267 9.68,268 17.042,269 13.262,270 13.262,271 13.262,272 13.262,273 13.262,274 9.99,275 12.304,276 4.524,277 13.96,278 3.948,279 2.226,280 1.256,281 0.83,282 0.772,283 0.772,284 3.943,287 1,288 1,289 1,290 446,291 3.873,294 53.341,295 141.272,298 99.309,302 1.382,303 28.085,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 54,315 214,316 5.035,317 4.721,318 7.742,319 4.517,320 3.584,321 4.994,322 0.86,323 14.031,324 3.339,325 4.496,326 3.238,327 6.652,328 3.996,329 3.028,330 4.381,331 0.8,332 10.593,333 2.908,334 3.729,335 2.747,336 5.653,337 3.326,338 2.381,339 3.196,341 6.965,342 2.248,343 3.593,344 2.58,345 5.305,346 3.191,347 2.248,348 3.048,350 6.7,351 2.137,352 3.371,353 2.252,354 5.043,355 3.042,356 2.082,357 2.691,359 5.486,360 1.978,361 3.151,362 1.973,363 4.633,364 2.824,365 1.853,366 2.188,368 5.014,369 1.787,370 2.85,371 1.611,372 4.387,373 2.371,374 1.41,375 1.991,377 3.973,378 1.348,379 2.658,380 1.209,381 3.779,382 2.138,383 1.143,384 1.699,386 2.767,387 1.136,388 2.5,389 1.108,390 3.499,391 2,392 1,393 1.5,395 2.315,396 1,397 2.356,398 1,399 3.247,400 1.887,401 0.921,402 1.276,404 2.136,405 0.886,406 1.689,407 0.883,408 2.983,409 1.454,410 0.527,411 0.595,413 1.061,414 0.481,415 1.502,416 0.498,417 2.886,418 1.249,419 0.335,420 0.384,422 0.59,423 0.307,424 1,425 0.064,426 2.736,427 0.373,428 -0.566,429 -0.692,431 -1.279,432 -0.525,433 0.756,434 -0.234,435 2.496,436 0.233,437 -0.726,438 -0.993,440 -1.637,441 -0.676,442 0.736,443 -0.584,444 2.248,445 0.201,446 -0.795,447 -1,449 -2,450 -0.792,451 12.133,452 0.485,453 0.742,454 0.03,455 33.25,456 1.33,457 17.5,458 0.7,459 15.75,460 0.63,461 19.405,462 0.776,463 27.467,464 0.584,465 26.299,466 1.052,467 6.646,468 0.266,469 5.284,470 0.211,471 0.179,472 0.069,473 0.272,479 0.576,480 1.471,481 0.838,482 1.316,483 0.66,484 1.035,485 0.949,486 0.81,487 0.815,488 0.702,489 0.603,490 0.733,491 0.938,492 1.26,493 1.157,494 1.256,495 0.821,496 1.111,497 1.204,498 1.021,499 1.02,500 0.999,501 1.356,502 0.916,503 1.105,504 0.922,505 1.083,506 1.016,507 1.279,508 0.878,509 1.389,510 1.141,511 1.099,512 1.093,513 1.603,514 1.111,515 0.82,516 0.948,517 0.99,518 0.938,519 0.835,520 1.135,521 0.711,522 1.276,523 1.389,524 1.495,525 0.577,526 1.198,527 6,528 0.058,529 3.556,530 2.319,531 1.877,532 1.139,533 0.764,534 0.463,535 0.254,536 0.096,537 6022,538 15963,539 2.005,540 46.8,542 19,543 1,547 2,550 1.689,551 1.84,552 3.092,553 -0.751,555 1,559 75.493,560 1.606,561 3.328,562 4.299,563 4.724,564 4.783,565 4.783,566 2.553,567 4.164,568 4.608,569 3.256,570 976.905,571 8.021,572 11510.8,574 1,576 1,577 261.066,578 1.673,579 4.546,580 0.222,581 0.007,582 0.091,583 0.057,584 0.047,585 0.029,586 0.022,587 0.016,588 0.01,589 0.007,590 0.508,591 0.5,592 1,593 1.313,594 117.966,595 0.127,596 -0.28,597 0.24,598 -0.147,599 -0.141,600 -0.022,601 0.125,602 0.317,603 0.15,604 0.276,605 0.23,606 0.205,607 -0.053,608 -0.171,609 -0.037,610 -0.118,611 0.059,612 -0.105,613 -0.092,614 -0.021,615 0.044,616 0.023,617 -0.026,618 0.057,619 -0.015,620 0.089,621 0.005,622 0.026,623 -0.004,624 0.101,625 -0.202,626 -0.142,627 -0.176,628 -0.13,629 -0.254,630 -0.158,631 0.193,632 0.065,633 -0.117,634 -0.037,635 0.022,636 -0.192,637 0.048,638 -0.305,639 -0.176,640 -0.342,641 0.155,642 -0.156,643 4.557,644 6.075,645 0.6,646 21.376,647 1.002,648 1.121,649 2.416,650 5.837,651 0.673,652 3.332,653 3.689,654 3.97,655 4.248,656 4.522,657 4.654,658 4.804,659 4.89,660 4.796,661 4.727,662 5.399,663 0.631,664 358.5,665 3.332,666 4.89,667 5.753,668 6.658,669 7.555,670 8.474,671 9.387,672 10.313,673 11.234,674 12.164,675 4.3,678 1,683 1,687 2,688 9,693 3,694 1,695 16,712 1,714 47,716 18,717 2,718 27,720 49,721 19,722 14,723 4,724 8,730 3,731 4,743 1,745 14,746 5,750 2,753 1,755 2,761 1,764 22,765 4,767 6,768 1,773 2,777 0.667,778 3,788 1,792 1,793 2,796 1,815 1,819 2,821 1,823 3,827 25,830 1,833 2,835 1,838 1,847 6.4,850 2,852 1,854 13.583,855 9.317,856 5.5,857 2.594,858 2.976,859 1.42,860 0.984,861 5.068,862 10.06,863 3.638,864 4.314,865 4.943,866 5.581,867 6.166,868 6.546,869 6.979,870 7.33,871 7.46,872 7.745,873 0.833,874 41,875 9.5,877 4.235,878 7.81,879 17.74,881 14.587,883 2.31,884 57.75,887 1,888 258.964,889 137.678,890 3.418,892 55.313,894 5.807,895 131.87,896 314.277,897 3.418,898 27.676,899 4.64,900 90.665,901 44.313,902 26.97,903 13.915,904 247.193,906 258.964,907 135.288,908 55.313,909 5.807,911 235.422,912 78.855,915 8.058,916 127.23,917 5.807,919 258.964,920 58.73,921 137.678,923 5.807,924 258.964,925 19.337,926 115.951,928 55.313,929 258.964,930 58.73,931 137.678,933 0.585,934 0.337,935 0.179,936 0.108,937 19,938 9,939 0.122,940 6,941 1,942 1.133,943 3.514,944 212.608,945 0.133,946 15,947 108.096,950 1,951 17.836,952 7.103,953 3.53,954 1.569,955 58.437,956 15.716,961 1.984,962 1.377,964 455.372,965 37,968 -3.641,970 26.15,975 47.098,976 52.697,977 0.289,978 0.599,979 0.774,980 0.851,981 0.861,982 0.861,983 4.883,984 1.143,985 5.79,986 3.973,987 4.369,988 5.001,989 1.235,990 6.698,991 4.273,992 6.146,993 1,994 7.42,995 2.767,996 4.205,997 5.156,998 0.325,999 8.038,1000 4.012,1001 7.519,1002 0.921,1003 9.174,1004 2.315,1005 6.094,1006 7.416,1007 0.938,1008 11.156,1009 5.883,1010 8.943,1011 0.527,1012 11.008,1013 2.136,1014 6.77,1015 8.427,1016 0.268,1017 13.355,1018 6.449,1019 10.41,1020 0.335,1021 12.896,1022 1.061,1023 8.209,1024 10.231,1025 0.732,1026 16.11,1027 7.862,1028 11.908,1029 -0.566,1030 14.821,1031 0.59,1032 9.236,1033 11.591,1034 0.188,1035 18.595,1036 8.787,1037 13.431,1038 -0.726,1039 16.774,1040 -1.279,1041 10.537,1042 13.246,1043 0.57,1044 21.258,1045 10.044,1046 3.584,1047 -0.795,1048 18.748,1049 -1.637,1050 11.707,1051 14.744,1052 0.125,1053 23.839,1054 11.123,1055 3.028,1056 14.031,1057 20.736,1058 -2,1059 12.971,1060 16.351,1061 0.438,1062 26.48,1063 12.328,1064 2.381,1065 10.593,1066 22.737,1067 4.994,1068 14.197,1069 17.904,1070 0.082,1071 29.095,1072 13.471,1073 2.248,1074 6.965,1075 24.746,1076 4.381,1077 15.455,1078 19.498,1079 0.334,1080 31.732,1081 14.662,1082 2.082,1083 6.7,1084 26.763,1085 3.196,1086 16.704,1087 21.075,1088 0.054,1089 34.361,1090 15.834,1091 1.853,1092 5.486,1093 28.785,1094 3.048,1095 17.965,1096 22.667,1097 0.252,1098 36.998,1099 17.023,1100 1.41,1101 5.014,1102 30.811,1103 2.691,1104 19.225,1105 24.254,1106 0.035,1107 39.633,1108 18.207,1109 6054,1110 10036,1111 17.394,1112 31.637,1113 40.971,1114 41.821,1115 42.289,1116 41.057,1117 41.028,1118 55.884,1119 3.32,1120 123.261,1121 39.11,1122 5.869,1123 6.721,1124 7.544,1125 5.571,1126 5.584,1127 7.994,1128 1.72,1129 22.492,1130 5.339,1131 13.927,1132 1.517,1133 1.549,1134 1.566,1135 1.521,1136 1.52,1137 2.07,1138 0.123,1139 4.565,1140 1.449,1141 4.234,1142 4.235,1143 4.777,1144 4.186,1145 7.716,1146 4.139,1147 3.936,1148 3.942,1149 3.999,1150 3.905,1151 6.999,1152 3.872,1153 3.661,1154 3.743,1155 3.671,1156 3.528,1157 4.943,1158 3.481,1159 3.611,1160 3.608,1161 3.522,1162 3.471,1163 4.714,1164 3.454,1165 3.38,1166 3.407,1167 3.313,1168 3.21,1169 4.562,1170 3.2,1171 3.188,1172 3.265,1173 2.993,1174 2.946,1175 4.312,1176 2.944,1177 2.966,1178 3.045,1179 2.759,1180 2.778,1181 4.017,1182 2.753,1183 2.874,1184 3.009,1185 2.687,1186 2.735,1187 3.692,1188 2.715,1189 0.186,1190 0.175,1191 0.287,1192 0.167,1193 0.133,1194 5.035,1195 0.185,1196 4.721,1197 0.032,1198 7.742,1199 0.52,1200 4.517,1201 0.124,1202 3.584,1203 4.994,1204 0.86,1205 14.031,1206 3.339,1207 1.997,1208 2.004,1209 2.024,1210 2.074,1211 1.255,1212 2.103,1213 1.909,1214 1.894,1215 1.994,1216 1.986,1217 1.205,1218 2,1219 1.695,1220 1.649,1221 1.89,1222 1.886,1223 1.05,1224 1.895,1225 1.522,1226 1.486,1227 1.675,1228 1.723,1229 0.816,1230 1.739,1231 1.316,1232 1.273,1233 1.573,1234 1.551,1235 0.659,1236 1.571,1237 1.17,1238 1.109,1239 1.417,1240 1.422,1241 0.566,1242 1.469,1243 0.97,1244 0.894,1245 1.378,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.821,1251 1.181,1252 1.173,1253 0.374,1254 1.211,1255 4.007,1257 5.352,1258 2.398,1259 6.899,1260 4.844,1261 8.54,1262 7.066,1263 10.237,1265 5.61,1271 1.593,1273 5.313,1276 2.078,1280 29.642,1281 75.493,1282 156.431,1283 202.046,1284 222.046,1285 224.801,1286 224.801,1287 50.854,1288 7.083,1289 51.54,1290 59.92,1291 17,1292 12.668,1293 4.248,1294 3.459,1295 41.36,1296 79,1297 80,1298 0.263,1299 187.061,1300 315.88,1301 448.189,1302 9483,1304 18.027,1305 0.721,1306 0.618,1307 18.277,1308 15.454,1309 11.93,1310 0.442,1311 0.352,1312 8.06,1313 10.687,1314 7.621,1315 6.409,1316 12.719,1317 9.506,1318 11.145,1319 0.286,1320 0.206,1321 12.445,1322 8.02,1323 9.048,1324 0.174,1325 0.113,1326 10.362,1327 5.876,1328 7.292,1329 0.106,1330 0.061,1331 8.524,1332 4.233,1333 6.165,1334 0.068,1335 0.035,1336 7.361,1337 3.207,1338 0.396,1339 82.878,1340 0.24,1341 23.707,1342 0.781,1343 132,1344 391.357,1345 183.237,1346 396.752,1347 539.37,1348 366,1349 157,1350 367.044,1351 218.334,1352 414.712,1353 605.11,1354 384,1355 6.143} {0 CHEMBL76480,1 1.595,2 10.286,3 2.348,4 5.512,5 105.997,6 7.157,7 0.333,8 4.078,9 4.205,10 3.598,11 3.53,12 5.162,13 3.523,14 4.65,15 4.848,16 3.959,17 3.926,18 5.736,19 3.894,20 4.841,21 5.04,22 3.991,23 4.072,24 5.931,25 4.007,26 4.949,27 5.17,28 3.946,29 4.086,30 6.078,31 4.001,32 4.91,33 5.145,34 3.918,35 4.044,36 5.929,37 3.966,38 4.861,39 5.059,40 3.995,41 4.075,42 5.955,43 4.012,44 4.944,45 5.164,46 3.882,47 4.089,48 5.979,49 3.984,50 4.99,51 5.26,52 3.697,53 3.961,54 5.941,55 3.838,56 0.059,57 0.796,58 11.789,59 4.601,60 8.247,61 6.48,62 0.537,63 1.235,64 23.429,65 7.444,66 37.087,67 10.985,68 0.484,69 1.394,70 28.496,71 9.914,72 49.876,73 14.013,74 0.577,75 1.445,76 32.838,77 10.802,78 100.809,79 15.45,80 0.528,81 1.407,82 31.844,83 10.08,84 70.023,85 14.663,86 0.478,87 1.424,88 29.14,89 9.773,90 49.24,91 13.957,92 0.408,93 1.491,94 31.887,95 10.738,96 55.577,97 15.613,98 0.715,99 1.354,100 36.324,101 10.253,102 86.18,103 15.445,104 49,105 42,106 0.266,107 0.6,108 0.808,109 0.841,110 0.853,111 0.853,112 3.375,113 0.944,114 -2.31,115 -2.34,116 -2.3,119 37,120 1,121 2,124 2,125 4,140 3,141 3,150 2,156 2,157 1,169 7,171 3,172 3,174 2,176 3,178 8,182 4,184 3,186 3,189 7,192 1,193 10,197 2,199 4,203 9,206 1,208 3,211 3,214 2,215 11,220 2,222 2,226 9,229 1,231 2,233 2,237 3,242 1,244 2,248 3,249 2,252 2,253 1,254 1,256 1,259 1312,260 18.577,261 18.577,262 18.577,263 18.577,264 18.577,265 17.095,266 20.785,267 10.941,268 19.055,269 14.736,270 14.736,271 14.736,272 14.736,273 14.736,274 12.152,275 18.095,276 5.1,277 15.338,278 4.16,279 2.157,280 0.908,281 0.709,282 0.635,283 0.635,284 4.051,287 1,288 1,289 1,290 598,291 4,294 150.024,295 76.925,298 119.867,302 1.786,303 34.65,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 62,315 288,316 4.675,317 3.932,318 6.848,319 4.235,320 3.252,321 4.618,322 2.035,323 11.41,324 3.196,325 4.185,326 3.708,327 6.411,328 3.956,329 2.997,330 3.44,331 1.674,332 9.706,333 2.861,334 3.962,335 3.291,336 5.938,337 3.584,338 2.594,339 3.379,340 1.597,341 8.217,342 2.559,343 3.571,344 3.155,345 5.267,346 3.232,347 2.264,348 2.889,349 0.8,350 6.627,351 2.199,352 3.358,353 2.671,354 5.133,355 3.139,356 2.196,357 2.624,358 0.495,359 5.935,360 2.057,361 3.214,362 2.539,363 4.732,364 2.832,365 1.869,366 2.303,368 5.029,369 1.791,370 3.141,371 2.103,372 4.629,373 2.777,374 1.732,375 2.182,377 4.726,378 1.785,379 2.779,380 1.868,381 4.336,382 2.371,383 1.437,384 1.835,386 3.825,387 1.335,388 2.465,389 1.817,390 4.046,391 2.284,392 1.343,393 1.444,395 3.452,396 1.258,397 2.276,398 1.541,399 3.632,400 2.006,401 1.036,402 1.225,404 2.412,405 0.997,406 2.06,407 1.438,408 3.237,409 1.743,410 0.768,411 0.93,413 1.564,414 0.739,415 1.769,416 1.138,417 2.994,418 1.575,419 0.598,420 0.665,422 1.222,423 0.58,424 1.606,425 0.708,426 2.85,427 1.33,428 0.355,429 0.422,431 0.837,432 0.344,433 1.322,434 0.385,435 2.518,436 0.924,437 -0.12,438 -0.155,440 -0.281,441 -0.123,442 0.847,443 0.277,444 2.348,445 0.508,446 -0.476,447 -0.552,449 -0.857,450 -0.462,451 12.933,452 0.462,453 0.771,454 0.028,455 31.25,456 1.116,457 12.5,458 0.446,459 18.75,460 0.67,461 25.9,462 0.925,463 32.067,464 0.594,465 25.986,466 0.928,467 6.43,468 0.23,469 6.971,470 0.249,471 0.193,473 0.371,479 0.744,480 1.611,481 0.814,482 1.292,483 0.54,484 1.09,485 0.725,486 0.941,487 0.826,488 0.844,489 0.498,490 0.837,491 0.888,492 1.072,493 0.983,494 1.107,495 0.888,496 1.072,497 1.022,498 1.078,499 1.014,500 1.086,501 1.123,502 1.06,503 1.045,504 0.956,505 0.949,506 0.931,507 1.017,508 0.924,509 0.994,510 1.154,511 1.03,512 1.126,513 0.823,514 1.092,515 0.905,516 1.263,517 1.154,518 1.335,519 0.841,520 1.298,521 1.219,522 0.866,523 1.042,524 0.849,525 1.078,526 0.907,527 6,528 0.165,529 3.778,530 2.493,531 1.428,532 1.038,533 0.831,534 0.444,535 0.412,536 0.194,537 9004,538 25809,539 1.993,540 48.1,542 17,545 2,547 7,550 1.714,551 1.826,552 3.318,553 0.282,554 1,555 1,559 86.114,560 1.595,561 3.597,562 4.847,563 5.046,564 5.12,565 5.12,566 2.781,567 4.307,568 4.775,569 3.556,570 1344.05,571 8.328,572 17938.2,574 1,576 1,577 310.764,578 1.531,579 4.714,580 0.2,581 0.009,582 0.09,583 0.059,584 0.037,585 0.027,586 0.02,587 0.013,588 0.014,589 0.008,590 0.476,591 0.33,592 1,593 1.464,594 140.375,595 -0.049,596 -0.294,597 0.049,598 -0.122,599 -0.031,600 -0.032,601 0.149,602 0.225,603 0.116,604 0.18,605 0.101,606 0.151,607 0.009,608 0.011,609 -0.045,610 -0.043,611 -0.025,612 -0.053,613 -0.048,614 -0.085,615 -0.049,616 -0.054,617 -0.018,618 -0.052,619 -0.105,620 0.04,621 0.02,622 0.075,623 -0.083,624 0.073,625 -0.06,626 -0.07,627 -0.085,628 -0.076,629 -0.015,630 -0.085,631 -0.087,632 -0.212,633 -0.22,634 -0.298,635 -0.048,636 -0.286,637 -0.168,638 0.016,639 -0.031,640 0.089,641 -0.12,642 0.06,643 2.02,644 5.381,645 0.5,646 29.418,647 1.008,648 1.137,649 1.075,650 1.156,651 0.634,652 3.434,653 3.761,654 4.025,655 4.29,656 4.466,657 4.595,658 4.718,659 4.852,660 4.89,661 4.934,662 6.521,663 0.606,664 386.5,665 3.434,666 4.977,667 5.826,668 6.711,669 7.587,670 8.482,671 9.371,672 10.27,673 11.166,674 12.068,675 7.4,678 1,682 2,683 1,687 2,688 3,690 1,693 3,695 10,704 1,714 54,716 13,717 1,718 30,720 56,721 20,722 8,723 3,724 3,725 1,730 3,731 4,735 1,736 1,743 2,745 11,746 9,750 3,755 3,759 3,760 1,761 1,764 26,765 7,766 2,767 8,773 4,775 1,777 0.667,778 4,788 1,792 2,793 1,796 1,815 1,819 2,823 3,827 28,833 6,834 1,835 1,838 2,847 7.4,850 3,852 1,854 15.333,855 10.567,856 6.25,857 3.332,858 2.304,859 1.312,860 0.956,861 6.497,862 9.695,863 3.664,864 4.223,865 4.784,866 5.376,867 5.891,868 6.287,869 6.676,870 7.077,871 7.171,872 7.312,873 0.857,874 42,875 10.424,877 4.408,878 7.923,879 19.686,881 15.864,883 2.423,884 67.833,887 1,888 282.506,889 100.042,890 41.045,892 86.435,895 100.042,896 368.941,897 41.045,898 25.618,899 37.114,900 28.429,901 87.331,902 39.854,903 9.177,904 282.506,906 282.506,907 141.087,908 86.435,911 200.109,912 168.832,915 65.849,916 75.238,919 282.506,920 127.48,921 100.042,924 282.506,925 45.995,926 60.295,927 34.796,928 86.435,929 282.506,930 127.48,931 100.042,933 0.579,934 0.332,935 0.179,936 0.097,937 19,938 10,939 0.161,940 9,941 1,942 1.143,943 3.862,944 237.726,945 0.143,946 14,947 132.606,951 20.525,952 8.863,953 4.629,954 1.843,955 110.694,956 5.901,958 3.189,961 2.421,963 34.796,964 510.028,965 38,970 35.818,974 -0.902,975 54.436,976 61.398,977 0.277,978 0.625,979 0.842,980 0.877,981 0.89,982 0.89,983 4.916,984 1.437,985 5.826,986 4.726,987 4.443,988 4.909,989 2.959,990 6.655,991 4.378,992 6.118,993 1.343,994 7.402,995 3.825,996 4.111,997 4.868,998 2.078,999 7.618,1000 4.036,1001 7.432,1002 1.036,1003 9.079,1004 3.452,1005 6.052,1006 7.102,1007 3.889,1008 10.726,1009 5.932,1010 8.785,1011 0.768,1012 10.815,1013 2.412,1014 6.538,1015 7.912,1016 3.575,1017 12.543,1018 6.406,1019 10.174,1020 0.598,1021 12.59,1022 1.564,1023 7.974,1024 9.684,1025 4.999,1026 15.18,1027 7.807,1028 11.588,1029 0.355,1030 14.392,1031 1.222,1032 8.83,1033 10.884,1034 5.015,1035 17.348,1036 8.646,1037 13.023,1038 -0.12,1039 16.216,1040 0.837,1041 10.079,1042 12.494,1043 6.198,1044 19.831,1045 9.869,1046 3.252,1047 -0.476,1048 18.055,1049 -0.281,1050 11.101,1051 13.875,1052 6.436,1053 22.143,1054 10.874,1055 2.997,1056 11.41,1057 19.907,1058 -0.857,1059 12.284,1060 15.428,1061 7.459,1062 24.578,1063 12.034,1064 2.594,1065 9.706,1066 21.769,1067 4.618,1068 13.38,1069 16.89,1070 7.849,1071 26.951,1072 13.112,1073 2.264,1074 8.217,1075 23.639,1076 3.44,1077 14.542,1078 18.424,1079 8.767,1080 29.372,1081 14.254,1082 2.196,1083 6.627,1084 25.515,1085 3.379,1086 15.672,1087 19.923,1088 9.261,1089 31.773,1090 15.367,1091 1.869,1092 5.935,1093 27.398,1094 2.889,1095 16.829,1096 21.452,1097 10.11,1098 34.193,1099 16.506,1100 1.732,1101 5.029,1102 29.285,1103 2.624,1104 17.976,1105 22.968,1106 10.675,1107 36.607,1108 17.636,1109 8999,1110 15378,1111 19.304,1112 34.216,1113 45.299,1114 47.547,1115 47.307,1116 44.82,1117 44.884,1118 55.91,1119 13.201,1120 129.923,1121 43.401,1122 5.622,1123 5.932,1124 6.617,1125 5.281,1126 5.252,1127 7.618,1128 3.709,1129 18.699,1130 5.196,1131 17.15,1132 1.51,1133 1.585,1134 1.577,1135 1.494,1136 1.496,1137 1.864,1138 0.44,1139 4.331,1140 1.447,1141 4.155,1142 4.184,1143 4.119,1144 4.073,1145 7.448,1146 4.08,1147 3.844,1148 3.892,1149 3.791,1150 3.613,1151 7.432,1152 3.644,1153 3.672,1154 3.747,1155 3.567,1156 3.498,1157 7.409,1158 3.511,1159 3.592,1160 3.636,1161 3.472,1162 3.36,1163 4.928,1164 3.377,1165 3.468,1166 3.537,1167 3.311,1168 3.268,1169 4.462,1170 3.264,1171 3.232,1172 3.307,1173 3.065,1174 3.07,1175 4.325,1176 3.059,1177 3.144,1178 3.216,1179 2.966,1180 2.92,1181 4.254,1182 2.923,1183 2.946,1184 3.009,1185 2.909,1186 2.718,1187 4.12,1188 2.707,1189 0.156,1190 0.131,1191 0.228,1192 0.141,1193 0.108,1194 4.675,1195 0.154,1196 3.932,1197 0.068,1198 6.848,1199 0.38,1200 4.235,1201 0.107,1202 3.252,1203 4.618,1204 2.035,1205 11.41,1206 3.196,1207 1.97,1208 1.948,1209 2.069,1210 2.048,1211 1.305,1212 2.056,1213 1.715,1214 1.67,1215 1.912,1216 1.92,1217 1.169,1218 1.919,1219 1.558,1220 1.504,1221 1.809,1222 1.815,1223 0.954,1224 1.801,1225 1.519,1226 1.456,1227 1.732,1228 1.768,1229 0.94,1230 1.755,1231 1.425,1232 1.346,1233 1.679,1234 1.686,1235 0.799,1236 1.674,1237 1.391,1238 1.329,1239 1.616,1240 1.655,1241 0.786,1242 1.661,1243 1.184,1244 1.133,1245 1.417,1246 1.442,1247 0.532,1248 1.439,1249 1.047,1250 0.99,1251 1.412,1252 1.315,1253 0.469,1254 1.309,1255 4.111,1257 5.434,1258 3.045,1259 6.934,1260 5.476,1261 8.523,1262 7.609,1263 10.164,1265 5.763,1271 2.774,1272 2.526,1273 5.201,1276 3.299,1280 32.74,1281 86.114,1282 194.261,1283 261.744,1284 272.499,1285 276.499,1286 276.499,1287 65.492,1288 7.391,1289 94.74,1290 94.74,1291 16,1292 12.59,1293 3.807,1294 3.17,1295 49.497,1296 107,1297 104,1298 0.225,1299 203.107,1300 356.36,1301 487.342,1302 15185,1304 20.259,1305 0.724,1306 0.589,1307 20.259,1308 16.502,1309 13.401,1310 0.447,1311 0.315,1312 9.26,1313 12.713,1314 8.973,1315 7.458,1316 13.401,1317 9.439,1318 12.177,1319 0.29,1320 0.169,1321 12.177,1322 7.086,1323 9.831,1324 0.179,1325 0.088,1326 9.831,1327 4.82,1328 8.07,1329 0.112,1330 0.046,1331 8.07,1332 3.345,1333 6.137,1334 0.071,1335 0.026,1336 6.137,1337 2.245,1338 0.35,1339 85.228,1340 0.228,1341 26.632,1342 0.626,1343 144,1344 466.898,1345 162.4,1346 438.237,1347 583.59,1348 408,1349 169,1350 414.237,1351 187.156,1352 416.247,1353 611.31,1354 389,1355 5} {0 CHEMBL76552,1 1.456,2 12.458,3 4.718,4 22.259,5 98.954,6 6.461,7 0.4,8 3.992,9 4.145,10 3.413,11 3.45,12 5.052,13 3.408,14 4.511,15 4.73,16 3.688,17 3.819,18 5.466,19 3.735,20 4.765,21 5.026,22 3.702,23 3.923,24 5.691,25 3.801,26 4.821,27 5.113,28 3.581,29 3.863,30 5.706,31 3.719,32 4.744,33 5.056,34 3.467,35 3.715,36 5.617,37 3.568,38 4.588,39 4.878,40 3.372,41 3.611,42 5.514,43 3.479,44 4.541,45 4.843,46 3.389,47 3.582,48 5.452,49 3.454,50 4.483,51 4.759,52 3.339,53 3.594,54 5.407,55 3.472,56 0.096,57 0.752,58 12.327,59 4.326,60 12.862,61 6.591,62 0.216,63 1.119,64 20.945,65 7.141,66 21.112,67 10.957,68 0.27,69 1.279,70 27.18,71 8.62,72 36.173,73 13.679,74 0.317,75 1.261,76 29.028,77 8.017,78 41.812,79 13.613,80 0.358,81 1.102,82 27.009,83 7.103,84 41.843,85 12.279,86 0.316,87 0.989,88 23.17,89 5.943,90 40.738,91 10.391,92 0.324,93 0.963,94 22.004,95 5.82,96 35.139,97 10.092,98 0.229,99 0.945,100 20.665,101 5.595,102 29.704,103 9.607,104 28,105 32,106 0.247,107 0.614,108 0.783,109 0.861,110 0.893,111 0.893,112 3.226,113 1.02,114 -4.09,115 -4.04,116 -3.82,119 35.3,120 1,121 5,124 1,125 1,140 3,141 2,142 1,149 1,150 1,153 1,157 1,166 1,169 8,172 2,174 2,175 1,176 5,178 7,181 1,182 2,184 1,186 5,189 6,193 2,195 1,197 4,199 3,203 4,207 2,208 4,211 1,215 4,218 1,220 4,226 3,229 1,230 2,231 4,233 1,237 2,242 3,244 2,249 2,252 1,253 1,254 4,256 3,259 878,260 16.181,261 16.181,262 16.181,263 16.181,264 16.181,265 14.687,266 10.59,267 10.051,268 16.487,269 12.298,270 12.298,271 12.298,272 12.298,273 12.298,274 9.991,275 8.85,276 4.753,277 12.791,278 4.217,279 2.059,280 1.064,281 0.608,282 0.422,283 0.422,284 3.891,288 1,289 1,290 618,291 4.123,294 60.733,295 72.649,298 112.001,302 2.17,303 17.578,305 1,306 1,307 0.83,308 0.83,309 1,310 1,311 1,312 1,313 0.95,314 51.5,315 299,316 4.554,317 3.175,318 6.543,319 4.071,320 3.087,321 4.512,322 1.216,323 10.343,324 3.038,325 3.907,326 3.11,327 5.872,328 3.618,329 2.709,330 3.123,331 0.473,332 7.932,333 2.461,334 3.659,335 2.505,336 5.164,337 3.228,338 2.266,339 3.051,341 6.221,342 2.175,343 3.389,344 2.163,345 4.95,346 2.914,347 1.953,348 2.728,350 5.701,351 1.872,352 2.935,353 1.934,354 4.176,355 2.828,356 1.836,357 1.998,359 3.948,360 1.819,361 2.829,362 1.73,363 4.089,364 2.523,365 1.562,366 1.853,368 3.501,369 1.498,370 2.651,371 1.502,372 3.735,373 2.281,374 1.302,375 1.668,377 3.27,378 1.273,379 2.514,380 1.22,381 3.377,382 2.14,383 1.168,384 1.435,386 2.372,387 1.133,388 2.142,389 1.159,390 3.211,391 1.852,392 0.911,393 1.093,395 1.93,396 0.855,397 2.073,398 0.723,399 3.011,400 1.596,401 0.633,402 0.864,404 1.412,405 0.607,406 1.455,407 0.506,408 2.552,409 1.377,410 0.407,411 0.426,413 0.704,414 0.394,415 1.206,416 0.181,417 2.375,418 0.807,419 -0.144,420 -0.178,422 -0.324,423 -0.136,424 0.945,425 -0.079,426 2.18,427 0.659,428 -0.318,429 -0.325,431 -0.541,432 -0.309,433 0.699,434 -0.213,435 2,436 0.439,437 -0.491,438 -0.653,440 -1.15,441 -0.451,442 0.623,443 -0.757,444 1.891,445 0.11,446 -0.877,447 -1,449 -1.877,450 -0.866,451 11.333,452 0.472,453 0.473,454 0.02,455 26.25,456 1.094,457 11.5,458 0.479,459 14.75,460 0.615,461 20.925,462 0.872,463 27.667,464 0.542,465 18.222,466 0.759,467 5.017,468 0.209,469 6.596,470 0.275,471 0.153,473 0.256,479 1.015,480 1.401,481 0.989,482 1.202,483 0.989,484 1.108,485 0.777,486 1.109,487 0.964,488 1.107,489 0.52,490 1.061,491 0.88,492 1.135,493 0.955,494 1.088,495 0.786,496 1.041,497 1.013,498 1.078,499 1.009,500 1.004,501 1.004,502 0.997,503 0.921,504 0.928,505 0.873,506 0.848,507 0.851,508 0.842,509 1.195,510 1.087,511 1.018,512 0.927,513 1.142,514 0.943,515 0.801,516 0.924,517 0.864,518 0.817,519 0.846,520 0.83,521 1.188,522 1.056,523 1.084,524 0.955,525 1.179,526 0.985,527 4,528 0.069,529 2.667,530 1.354,531 0.853,532 0.473,533 0.346,534 0.303,535 0.215,536 0.125,537 6902,538 15018,539 1.972,540 52.9,541 11,542 8,543 1,544 1,545 4,547 2,550 1.662,551 1.846,552 3.58,553 1.777,559 74.243,560 1.456,561 3.613,562 4.609,563 5.064,564 5.251,565 5.251,566 3.094,567 4.22,568 4.552,569 3.774,570 1041.62,571 7.82,572 13286.7,574 1,577 289.294,578 1.384,579 4.513,580 0.16,581 0.005,582 0.083,583 0.044,584 0.033,585 0.021,586 0.016,587 0.014,588 0.01,589 0.007,590 0.393,591 0.17,592 1,593 2.723,594 118.339,595 -0.022,596 -0.053,597 0.02,598 -0.003,599 -0.076,600 0.008,601 0.086,602 0.077,603 0.021,604 -0.01,605 0.131,606 -0.005,607 0.037,608 -0.096,609 0.022,610 -0.063,611 0.085,612 -0.031,613 -0.05,614 -0.094,615 -0.023,616 -0.065,617 -0.05,618 -0.042,619 0.083,620 -0.006,621 0.117,622 0.046,623 0.073,624 0.085,625 -0.047,626 -0.114,627 -0.011,628 -0.013,629 -0.031,630 -0.009,631 0.139,632 0.058,633 0.128,634 0.09,635 0.077,636 0.106,637 -0.175,638 -0.011,639 -0.085,640 -0.004,641 -0.123,642 -0.025,643 1.444,644 3.581,645 0.375,646 24.563,647 0.991,648 1.143,649 2.863,650 8.195,651 0.625,652 3.258,653 3.497,654 3.689,655 3.85,656 3.97,657 3.97,658 4.007,659 4.06,660 3.912,661 3.829,662 7.257,663 0.581,664 329.5,665 3.258,666 4.745,667 5.549,668 6.382,669 7.213,670 8.058,671 8.903,672 9.757,673 10.612,674 11.472,675 9.8,677 1,678 1,683 1,684 2,687 2,688 4,690 1,693 2,695 10,711 1,714 51,716 12,717 1,718 25,720 52,721 18,722 8,723 3,724 3,725 1,730 2,731 3,733 1,734 1,736 1,743 5,745 10,746 8,750 2,754 1,757 1,758 1,759 1,764 27,765 5,766 4,767 6,773 5,777 0.5,778 1,788 1,792 1,793 1,796 1,815 1,819 1,823 2,827 24,832 1,833 6,834 1,838 1,847 2,849 1,854 13,855 9.267,856 5.583,857 3.274,858 2.597,859 1.394,860 0.929,861 7.283,862 9.185,863 3.497,864 4.012,865 4.56,866 5.132,867 5.607,868 5.934,869 6.274,870 6.629,871 6.548,872 6.63,873 1,874 31,875 8.843,877 3.532,878 7.681,879 17.127,881 13.385,883 2.181,884 52.333,886 1,887 1,888 270.735,889 88.325,890 86.133,892 42.683,895 88.325,896 313.419,897 86.133,898 17.222,899 14.778,900 55.364,901 63.502,902 74.003,903 15.814,904 247.193,906 270.735,907 174.458,908 42.683,911 247.193,912 66.226,915 109.737,916 55.674,917 9.047,919 270.735,920 128.816,921 88.325,924 270.735,925 24.58,926 66.869,927 34.674,928 91.018,929 270.735,930 128.816,931 88.325,933 0.557,934 0.314,935 0.154,936 0.08,937 12,938 6,939 0.192,940 10,941 1,942 1.222,943 3.756,944 169.551,945 0.222,946 9,947 110.039,951 18.494,952 9.451,953 5.637,954 1.838,955 112.031,956 6.99,958 3.127,961 1.087,963 109.029,964 487.877,965 32,969 7.99,972 1.655,973 4.129,974 0.282,975 50.556,976 58.268,977 0.257,978 0.637,979 0.813,980 0.893,981 0.926,982 0.926,983 4.687,984 1.168,985 5.493,986 3.27,987 4.174,988 4.696,989 1.314,990 6.225,991 4.097,992 5.854,993 0.911,994 7.006,995 2.372,996 3.611,997 4.46,998 0.81,999 7.018,1000 3.464,1001 7.132,1002 0.633,1003 8.626,1004 1.93,1005 5.68,1006 6.873,1007 1.302,1008 10.102,1009 5.529,1010 8.455,1011 0.407,1012 10.312,1013 1.412,1014 5.994,1015 7.578,1016 1.214,1017 11.801,1018 5.782,1019 9.817,1020 -0.144,1021 12.043,1022 0.704,1023 7.492,1024 9.442,1025 1.495,1026 14.387,1027 7.277,1028 11.208,1029 -0.318,1030 13.804,1031 -0.324,1032 8.227,1033 10.588,1034 1.561,1035 16.456,1036 7.974,1037 12.623,1038 -0.491,1039 15.588,1040 -0.541,1041 9.49,1042 12.237,1043 1.774,1044 18.874,1045 9.23,1046 3.087,1047 -0.877,1048 17.389,1049 -1.15,1050 10.426,1051 13.587,1052 1.903,1053 21.098,1054 10.145,1055 2.709,1056 10.343,1057 19.203,1058 -1.877,1059 11.594,1060 15.15,1061 2.094,1062 23.458,1063 11.305,1064 2.266,1065 7.932,1066 21.028,1067 4.512,1068 12.625,1069 16.589,1070 2.253,1071 25.745,1072 12.323,1073 1.953,1074 6.221,1075 22.861,1076 3.123,1077 13.755,1078 18.118,1079 2.438,1080 28.086,1081 13.446,1082 1.836,1083 5.701,1084 24.7,1085 3.051,1086 14.83,1087 19.596,1088 2.612,1089 30.4,1090 14.512,1091 1.562,1092 3.948,1093 26.545,1094 2.728,1095 15.949,1096 21.112,1097 2.798,1098 32.736,1099 15.622,1100 1.302,1101 3.501,1102 28.394,1103 1.998,1104 17.045,1105 22.606,1106 2.98,1107 35.062,1108 16.711,1109 6999,1110 10584,1111 16.296,1112 31.858,1113 36.057,1114 35.73,1115 37.057,1116 35.735,1117 35.669,1118 45.502,1119 3.377,1120 94.668,1121 34.249,1122 5.488,1123 5.175,1124 6.496,1125 5.112,1126 5.087,1127 7.512,1128 1.979,1129 17.002,1130 5.038,1131 12.803,1132 1.442,1133 1.429,1134 1.482,1135 1.429,1136 1.427,1137 1.82,1138 0.135,1139 3.787,1140 1.37,1141 4.124,1142 4.156,1143 4.086,1144 4.036,1145 6.471,1146 4.044,1147 3.804,1148 3.877,1149 3.673,1150 3.657,1151 5.829,1152 3.643,1153 3.652,1154 3.734,1155 3.523,1156 3.441,1157 4.965,1158 3.45,1159 3.494,1160 3.557,1161 3.396,1162 3.345,1163 4.593,1164 3.351,1165 3.401,1166 3.471,1167 3.245,1168 3.199,1169 4.241,1170 3.202,1171 3.226,1172 3.323,1173 3.079,1174 2.957,1175 4.116,1176 2.979,1177 3.036,1178 3.133,1179 2.861,1180 2.837,1181 4.092,1182 2.829,1183 2.973,1184 3.074,1185 2.717,1186 2.754,1187 3.848,1188 2.734,1189 0.182,1190 0.127,1191 0.262,1192 0.163,1193 0.123,1194 4.554,1195 0.18,1196 3.175,1197 0.049,1198 6.543,1199 0.414,1200 4.071,1201 0.122,1202 3.087,1203 4.512,1204 1.216,1205 10.343,1206 3.038,1207 1.926,1208 1.908,1209 2.041,1210 2.015,1211 1.383,1212 2.012,1213 1.789,1214 1.724,1215 2.002,1216 1.969,1217 1.141,1218 1.992,1219 1.621,1220 1.549,1221 1.873,1222 1.862,1223 1.137,1224 1.863,1225 1.56,1226 1.5,1227 1.713,1228 1.76,1229 0.835,1230 1.757,1231 1.387,1232 1.3,1233 1.669,1234 1.633,1235 0.73,1236 1.653,1237 1.153,1238 1.072,1239 1.473,1240 1.467,1241 0.625,1242 1.458,1243 1.063,1244 0.976,1245 1.367,1246 1.32,1247 0.384,1248 1.375,1249 0.987,1250 0.895,1251 1.216,1252 1.265,1253 0.276,1254 1.256,1255 3.932,1257 5.187,1258 2.398,1259 6.624,1260 4.727,1261 8.153,1262 6.823,1263 9.739,1265 4.104,1270 9.581,1271 6.93,1272 2.754,1276 1.865,1280 29.617,1281 74.243,1282 184.261,1283 235.055,1284 258.274,1285 267.784,1286 267.784,1287 46.669,1288 6.588,1289 87.5,1290 87.5,1291 11,1292 12.024,1293 3.7,1294 3,1295 48.936,1296 105,1297 120,1298 0.225,1299 189.049,1300 321.39,1301 453.04,1302 6166,1304 17.364,1305 0.723,1306 0.603,1307 17.364,1308 14.471,1309 11.613,1310 0.465,1311 0.34,1312 8.397,1313 11.192,1314 8.155,1315 6.92,1316 11.613,1317 8.504,1318 9.768,1319 0.305,1320 0.188,1321 9.768,1322 6.028,1323 7.793,1324 0.2,1325 0.104,1326 7.793,1327 4.05,1328 5.765,1329 0.125,1330 0.055,1331 5.765,1332 2.55,1333 4.344,1334 0.084,1335 0.03,1336 4.344,1337 1.571,1338 0.369,1339 72.614,1340 0.248,1341 24.324,1342 0.574,1343 114,1344 296.439,1345 124.208,1346 295.006,1347 401.5,1348 274,1349 128,1350 298.693,1351 138.459,1352 305.242,1353 435.21,1354 285,1355 6.06} {0 CHEMBL770,1 1.325,2 5.667,3 1.347,4 1.813,5 49.069,6 6.677,7 0.462,8 3.262,9 3.401,10 2.753,11 2.829,12 4.246,13 2.781,14 3.781,15 3.981,16 3.002,17 3.174,18 4.706,19 3.086,20 3.946,21 4.216,22 2.717,23 3.145,24 4.733,25 2.986,26 3.738,27 4.011,28 2.534,29 2.924,30 4.47,31 2.751,32 3.632,33 3.934,34 2.492,35 2.752,36 4.417,37 2.617,38 3.38,39 3.631,40 2.199,41 2.602,42 4.2,43 2.446,44 3.27,45 3.595,46 1.473,47 2.29,48 3.839,49 2.017,50 2.683,51 3.062,52 0.45,53 1.524,54 3.045,55 1.165,56 0.028,57 0.356,58 5.452,59 2.146,60 3.709,61 3.124,62 0.093,63 0.565,64 9.637,65 3.495,66 8.894,67 5.181,68 0.108,69 0.593,70 11.746,71 4.018,72 12.766,73 6.118,74 0.049,75 0.465,76 9.352,77 3.646,78 8.097,79 5.412,80 0.075,81 0.418,82 8.644,83 2.795,84 9.955,85 4.37,86 0.054,87 0.337,88 6.517,89 2.26,90 7.35,91 3.435,92 0.042,93 0.254,94 5.921,95 2.26,96 5.762,97 3.374,98 0.02,99 0.118,100 3.261,101 1.267,102 3.03,103 1.902,105 16,106 0.273,107 0.612,108 0.735,109 0.8,110 0.824,111 0.824,112 2.596,113 0.983,114 -3.22,115 -3.21,116 -3.08,119 41.7,121 1,125 2,140 5,141 1,156 1,169 7,172 1,174 1,176 1,178 8,182 1,186 1,189 5,193 2,197 2,199 1,203 2,208 2,215 1,220 1,259 106,260 8.414,261 8.414,262 8.414,263 8.414,264 8.414,265 7.378,266 9.635,267 5.37,268 8.55,269 6.466,270 6.466,271 6.466,272 6.466,273 6.466,274 5,275 11.883,276 2.609,277 6.682,278 3.26,279 1.614,280 1.015,281 0.698,282 0.583,283 0.583,284 3.238,288 1,289 1,290 145,291 1.414,294 30.462,295 36.262,302 0.889,303 5.005,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 25,315 68,316 4.015,317 3.212,318 5.584,319 3.655,320 2.685,321 3.496,322 1.505,323 7.705,324 2.614,325 3.699,326 2.55,327 5.057,328 3.25,329 2.29,330 3.028,331 0.368,332 6.159,333 2.185,334 2.887,335 1.631,336 3.634,337 2.475,338 1.483,339 2.042,340 0.265,341 3.126,342 1.47,343 2.5,344 1.344,345 3.342,346 2.084,347 1.115,348 1.5,350 2.449,351 1.078,352 2.227,353 1.088,354 3.247,355 2,356 1,357 1.196,359 2.136,360 1,361 1.766,362 1,363 3,364 1.518,365 0.618,366 0.665,368 1.372,369 0.556,370 1.123,371 0.227,372 2.574,373 0.844,374 -0.14,375 -0.167,377 -0.354,378 -0.137,379 0.5,380 -0.667,381 1.555,382 0.06,383 -0.93,384 -1.141,386 -2.118,387 -0.921,388 0.428,389 -1,390 1.497,392 -1,393 -1.5,395 -2.347,396 -1,397 -0.3,398 -1.054,399 1,400 -0.574,401 -1.543,402 -1.692,404 -3.456,405 -1.456,406 -0.457,407 -1.321,408 0.927,409 -0.718,410 -1.618,411 -2.024,412 -0.199,413 -4.372,414 -1.487,415 -0.5,416 -1.548,417 0.385,418 -0.994,419 -1.96,420 -2.404,421 -0.795,422 -4.789,423 -1.903,424 -0.889,425 -2,426 0.198,427 -1,428 -2,429 -3,430 -1.145,431 -5.512,432 -2,451 5.8,452 0.483,453 0.137,454 0.011,455 15,456 1.25,457 7.5,458 0.625,459 7.5,460 0.625,461 6.575,462 0.548,463 12.8,464 0.533,465 7.346,466 0.612,467 3.149,468 0.262,469 2.801,470 0.233,473 0.172,479 1.003,480 1.287,481 0.897,482 1.063,483 0.9,484 0.986,485 1.123,486 1.121,487 1.071,488 1.082,489 1.149,490 1.073,491 1.427,492 0.891,493 1.192,494 0.977,495 1.408,496 1.049,497 0.551,498 1.175,499 0.921,500 1.149,501 0.543,502 1.083,503 1.163,504 0.868,505 0.788,506 0.725,507 0.925,508 0.723,509 1.35,510 1.142,511 1.275,512 1.188,513 1.378,514 1.218,515 0.691,516 0.835,517 1.047,518 1.038,519 0.947,520 1.069,521 0.181,522 0.677,523 0.716,524 0.842,525 0.458,526 0.83,527 1.5,529 0.444,530 0.41,531 0.186,532 0.056,533 0.069,534 0.015,537 946,538 2024,539 2.14,540 50,542 9,545 1,546 2,550 1.45,551 2.118,552 2.621,553 -0.244,559 31.8,560 1.325,561 2.971,562 3.57,563 3.887,564 4.002,565 4.002,566 1.959,567 2.752,568 3.564,569 2.639,570 174.202,571 5.826,572 1217.69,574 1,577 110.039,578 0.65,579 3.565,580 0.115,582 0.028,583 0.037,584 0.021,585 0.006,586 0.011,587 0.007,590 0.226,591 1,592 1,594 42.425,595 -0.017,596 -0.114,597 0.047,598 -0.016,599 0.011,600 0.015,601 0.045,602 -0.018,603 -0.109,604 -0.105,605 -0.099,606 -0.118,607 -0.301,608 0.097,609 -0.228,610 -0.045,611 -0.338,612 -0.115,613 0.125,614 -0.285,615 0.014,616 -0.166,617 0.23,618 -0.1,619 0.003,620 0.058,621 0.203,622 0.185,623 0.168,624 0.207,625 -0.252,626 -0.146,627 -0.318,628 -0.251,629 -0.302,630 -0.284,631 -0.053,632 -0.032,633 -0.112,634 -0.088,635 -0.147,636 -0.102,637 0.227,638 -0.023,639 0.222,640 0.098,641 0.209,642 0.149,643 0.567,644 1.337,645 0.917,646 5.028,647 0.984,648 1.128,649 1.994,650 3.976,651 0.659,652 2.639,653 2.833,654 2.996,655 3.178,656 3.135,657 2.944,658 2.944,659 2.833,660 2.565,661 2.197,662 3.608,663 0.612,664 160.24,665 2.639,666 4.078,667 4.86,668 5.666,669 6.463,670 7.276,671 8.077,672 8.891,673 9.694,674 10.508,675 8.3,677 1,684 1,688 5,693 1,695 6,714 24,716 7,717 1,718 13,720 25,721 10,722 6,723 1,724 5,730 2,731 2,743 1,745 7,746 3,750 1,758 1,759 1,764 12,765 2,766 1,767 2,773 2,774 1,777 1,792 1,793 1,814 1,819 2,827 12,833 3,834 1,854 5.667,855 4.117,856 2.75,857 1.449,858 1.406,859 1.27,860 0.985,861 2.191,862 6.61,863 2.89,864 3.35,865 3.755,866 4.199,867 4.521,868 4.278,869 4.492,870 4.707,871 4.577,872 4.343,873 0.75,874 11,875 4.424,876 0.006,877 1.777,878 7.444,879 8.744,880 0.002,881 6.952,882 -0.002,883 1.944,884 23.333,885 0.021,888 129.482,889 59.641,890 34.796,895 59.641,896 129.482,897 34.796,899 6.746,900 65.392,901 2.328,902 19.971,904 129.482,906 129.482,907 94.437,911 129.482,915 41.542,916 52.895,919 129.482,920 34.796,921 59.641,924 129.482,925 12.259,926 47.381,927 18.011,928 16.786,929 129.482,930 34.796,931 59.641,933 0.547,934 0.301,935 0.166,936 0.074,937 8,938 2,939 0.08,940 2,942 1,943 2.589,944 65.827,946 11,947 39.02,951 7.503,952 3.503,953 1.933,955 34.796,956 10.411,961 1.325,963 18.011,964 223.919,965 17,973 4.337,974 1.126,975 23.622,976 27.073,977 0.289,978 0.648,979 0.779,980 0.848,981 0.873,982 0.873,983 4.034,984 -0.93,985 4.745,986 -0.354,987 3.497,988 4.025,989 1.696,990 5.371,991 3.436,992 5.155,993 -1,994 6.168,995 -2.118,996 2.565,997 3.277,998 0.904,999 5.784,1000 2.473,1001 6.386,1002 -1.543,1003 7.685,1004 -2.347,1005 4.89,1006 6.005,1007 2.113,1008 8.872,1009 4.769,1010 7.654,1011 -1.618,1012 9.261,1013 -3.456,1014 4.875,1015 6.093,1016 1.864,1017 10.19,1018 4.7,1019 8.953,1020 -1.96,1021 10.877,1022 -4.372,1023 6.532,1024 8.219,1025 2.717,1026 12.657,1027 6.355,1028 10.272,1029 -2,1030 12.52,1031 -4.789,1032 6.971,1033 8.706,1034 2.755,1035 14.347,1036 6.735,1037 11.605,1039 14.18,1040 -5.512,1041 8.303,1042 10.539,1043 3.416,1044 16.574,1045 8.071,1046 2.685,1048 15.853,1050 8.981,1051 11.251,1052 3.615,1053 18.438,1054 8.695,1055 2.29,1056 7.705,1057 17.534,1059 10.148,1060 12.913,1061 4.169,1062 20.562,1063 9.862,1064 1.483,1065 6.159,1066 19.221,1067 3.496,1068 10.957,1069 13.771,1070 4.458,1071 22.511,1072 10.624,1073 1.115,1074 3.126,1075 20.912,1076 3.028,1077 12.037,1078 15.321,1079 4.951,1080 24.589,1081 11.699,1082 1,1083 2.449,1084 22.607,1085 2.042,1086 12.921,1087 16.281,1088 5.291,1089 26.582,1090 12.542,1091 0.618,1092 2.136,1093 24.305,1094 1.5,1095 13.955,1096 17.752,1097 5.749,1098 28.638,1099 13.565,1100 -0.14,1101 1.372,1102 26.005,1103 1.196,1104 14.881,1105 18.785,1106 6.119,1107 30.654,1108 14.456,1109 954,1110 1437,1111 9.129,1112 15.818,1113 18.496,1114 18.454,1115 18.413,1116 18.332,1117 18.381,1118 23.855,1119 4.277,1120 45.894,1121 17.807,1122 4.904,1123 5.212,1124 5.386,1125 4.655,1126 4.685,1127 6.496,1128 2.65,1129 13.216,1130 4.614,1132 1.423,1133 1.42,1134 1.416,1135 1.41,1136 1.414,1137 1.835,1138 0.329,1139 3.53,1140 1.37,1141 3.943,1142 3.986,1143 3.869,1144 3.869,1145 4.804,1146 3.863,1147 3.736,1148 3.803,1149 3.641,1150 3.546,1151 4.66,1152 3.561,1153 3.14,1154 3.213,1155 2.967,1156 3.016,1157 3.729,1158 2.995,1159 2.854,1160 2.925,1161 2.687,1162 2.735,1163 3.674,1164 2.715,1165 2.615,1166 2.704,1167 2.451,1168 2.464,1169 3.513,1170 2.451,1171 2.551,1172 2.69,1173 2.296,1174 2.186,1175 3.213,1176 2.188,1177 2.172,1178 2.323,1179 1.833,1180 1.847,1181 2.716,1182 1.827,1183 1.614,1184 1.812,1185 1.107,1186 1.217,1187 2.054,1188 1.144,1189 0.309,1190 0.247,1191 0.43,1192 0.281,1193 0.207,1194 4.015,1195 0.269,1196 3.212,1197 0.116,1198 5.584,1199 0.593,1200 3.655,1201 0.201,1202 2.685,1203 3.496,1204 1.505,1205 7.705,1206 2.614,1207 1.916,1208 1.886,1209 2.044,1210 1.999,1211 1.171,1212 2.016,1213 1.449,1214 1.375,1215 1.73,1216 1.682,1217 1.004,1218 1.704,1219 1.416,1220 1.344,1221 1.605,1222 1.637,1223 0.75,1224 1.629,1225 0.886,1226 0.821,1227 1.181,1228 1.119,1229 0.238,1230 1.141,1231 0.873,1232 0.796,1233 1.147,1234 1.062,1235 0.218,1236 1.107,1237 0.428,1238 0.304,1239 0.883,1240 0.721,1242 0.783,1245 0.583,1246 0.414,1248 0.489,1251 0.381,1252 0.133,1254 0.23,1255 3.296,1257 4.511,1258 2.398,1259 5.911,1260 4.443,1261 7.39,1262 6.26,1263 8.907,1271 2.88,1272 3.255,1280 14.677,1281 31.8,1282 71.31,1283 85.675,1284 93.284,1285 96.039,1286 96.039,1287 9.588,1288 5.204,1289 24.39,1290 24.39,1291 11,1292 11.096,1293 3,1294 2.322,1295 17.232,1296 26,1297 18,1298 0.344,1299 93.786,1300 157.38,1301 220.598,1302 898,1304 8.226,1305 0.685,1306 0.58,1307 8.226,1308 6.955,1309 5.949,1310 0.458,1311 0.328,1312 4.223,1313 5.809,1314 4.129,1315 3.433,1316 5.949,1317 4.261,1318 4.89,1319 0.306,1320 0.182,1321 4.89,1322 2.918,1323 3.866,1324 0.203,1325 0.103,1326 3.866,1327 1.958,1328 3.14,1329 0.137,1330 0.059,1331 3.14,1332 1.355,1333 2.021,1334 0.092,1335 0.034,1336 2.021,1337 0.75,1338 0.518,1339 36.605,1340 0.331,1341 12.347,1342 0.986,1343 58,1344 135.978,1345 61.497,1346 136.434,1347 189.72,1348 130,1349 64,1350 137.803,1351 67.358,1352 141.384,1353 201.92,1354 134,1355 5} {0 CHEMBL77734,1 1.662,2 8.111,3 1.739,4 3.024,5 69.67,6 8.32,7 0.75,8 3.529,9 3.658,10 3.179,11 3.015,12 4.78,13 3.044,14 3.942,15 4.092,16 3.494,17 3.38,18 5.166,19 3.382,20 4.098,21 4.299,22 3.351,23 3.35,24 5.247,25 3.311,26 4.03,27 4.261,28 3.181,29 3.2,30 5.119,31 3.146,32 3.856,33 4.104,34 3.017,35 2.965,36 4.993,37 2.924,38 3.686,39 3.9,40 2.876,41 2.841,42 4.862,43 2.81,44 3.614,45 3.86,46 2.908,47 2.809,48 4.716,49 2.781,50 3.537,51 3.745,52 2.772,53 2.781,54 4.648,55 2.749,56 0.112,57 0.494,58 5.093,59 2.023,60 9.015,61 2.42,62 0.169,63 0.73,64 7.986,65 3.336,66 11.256,67 4.151,68 0.255,69 0.745,70 11.444,71 3.956,72 23.076,73 5.18,74 0.223,75 0.663,76 11.605,77 3.746,78 20.116,79 5.233,80 0.239,81 0.529,82 10.42,83 3.046,84 20.317,85 4.41,86 0.226,87 0.462,88 8.18,89 2.365,90 24.09,91 3.183,92 0.208,93 0.45,94 7.947,95 2.294,96 15.483,97 3.395,98 0.143,99 0.419,100 6.56,101 2.014,102 12.551,103 2.682,104 2,105 27,106 0.313,107 0.7,108 0.859,109 0.916,110 0.916,111 0.916,112 2.96,113 0.812,114 -2.37,115 -2.4,116 -2.36,119 41.4,140 3,141 2,142 1,143 1,149 2,150 1,153 1,160 1,166 1,169 3,172 1,174 2,175 1,176 5,178 3,181 1,182 1,184 1,186 5,189 3,193 1,195 1,197 2,199 1,203 2,207 2,208 2,215 2,218 1,220 2,226 1,229 1,230 2,231 2,237 1,242 1,249 1,252 1,253 1,254 1,259 370,260 12.43,261 12.43,262 12.43,263 12.43,264 12.43,265 10.445,266 7.25,267 7.495,268 12.731,269 9.898,270 9.898,271 9.898,272 9.898,273 9.898,274 6.994,275 3.663,276 3.583,277 10.393,278 3.196,279 1.143,280 0.302,284 3.64,288 1,289 1,290 320,291 2.345,294 85.61,295 44.398,298 68.414,302 1.235,303 13.525,306 1,307 1,308 1,309 0.6,311 1,312 1,313 0.8,314 39.5,315 146,316 4.554,317 3.118,318 6.543,319 4.071,320 3.087,321 4.512,323 10.343,324 3.037,325 3.928,326 2.669,327 5.355,328 3.454,329 2.542,330 3.486,332 7.001,333 2.319,334 3.66,335 2.493,336 5.161,337 3.224,338 2.263,339 3.094,341 6.215,342 2.169,343 3.39,344 2.108,345 4.95,346 2.903,347 1.942,348 2.736,350 5.699,351 1.86,352 2.919,353 1.607,354 4.143,355 2.402,356 1.441,357 2.022,359 3.515,360 1.381,361 2.684,362 1.283,363 3.601,364 2.209,365 1.24,366 1.758,368 2.936,369 1.199,370 2.498,371 1.136,372 3.297,373 1.897,374 0.956,375 1.423,377 2.125,378 0.897,379 2.118,380 0.704,381 3.1,382 1.594,383 0.635,384 0.927,386 1.477,387 0.607,388 2.091,389 0.618,390 3,391 1.518,392 0.618,393 0.894,395 1.372,396 0.556,397 1.191,398 0.078,399 2.492,400 0.846,401 -0.105,402 -0.131,404 -0.248,405 -0.099,406 0.936,407 -0.132,408 2.375,409 0.471,410 -0.456,411 -0.602,413 -1.092,414 -0.418,415 0.622,416 -0.828,417 2,418 0.12,419 -0.868,420 -1.228,422 -2.56,423 -0.858,424 0.187,425 -0.922,426 1.914,427 -0.161,428 -1.094,429 -1.376,431 -2.782,432 -1.013,433 -0.02,434 -1.217,435 1.563,436 -0.429,437 -1.361,438 -1.805,440 -3.082,441 -1.279,442 -0.077,443 -1.436,444 1.111,445 -0.566,446 -1.53,447 -2.211,449 -4.06,450 -1.456,451 8.333,452 0.463,453 0.346,454 0.019,455 26.75,456 1.486,457 14.5,458 0.806,459 12.25,460 0.681,461 9.205,462 0.511,463 18.667,464 0.644,465 16.182,466 0.899,467 5.597,468 0.311,469 3.229,470 0.179,471 0.04,473 0.3,479 1.072,480 1.167,481 0.756,482 0.85,483 0.996,484 0.754,485 0.785,486 1.076,487 0.854,488 1.043,489 0.668,490 0.971,491 1.086,492 1.05,493 1.113,494 1.106,495 1.068,496 1.116,497 0.976,498 1.13,499 1.039,500 1.132,501 0.942,502 1.102,503 0.91,504 0.933,505 0.901,506 0.938,507 0.891,508 0.912,509 1.371,510 1.158,511 1.171,512 1.008,513 1.468,514 1.054,515 0.638,516 0.802,517 0.756,518 0.719,519 0.517,520 0.74,521 1.286,522 1.117,523 1.196,524 1.036,525 1.122,526 1.074,527 3,528 0.025,529 1.778,530 0.951,531 0.578,532 0.33,533 0.168,534 0.125,535 0.085,536 0.051,537 3168,538 9522,539 2.154,540 37.9,542 3,543 2,544 2,545 4,550 1.581,551 2.077,552 3.037,553 2.105,555 1,556 1,557 1,559 48.199,560 1.662,561 3.714,562 4.556,563 4.858,564 4.858,565 4.858,566 2.461,567 3.837,568 4.144,569 3.185,570 487.362,571 7.002,572 4698.19,573 1,574 1,576 1,577 140.881,578 1.135,579 4.128,580 0.15,581 0.006,582 0.066,583 0.043,584 0.032,585 0.022,586 0.013,587 0.009,588 0.007,589 0.006,590 0.355,591 0.5,592 1,593 0.463,594 77.281,595 -0.169,596 0.003,597 -0.005,598 0.102,599 -0.187,600 0.085,601 0.005,602 0.063,603 -0.079,604 -0.082,605 -0.005,606 -0.096,607 -0.134,608 -0.051,609 -0.195,610 -0.144,611 -0.117,612 -0.178,613 -0.078,614 -0.194,615 -0.055,616 -0.165,617 -0.07,618 -0.115,619 0.095,620 -0.026,621 0.145,622 0.014,623 0.119,624 0.084,625 -0.177,626 -0.21,627 -0.178,628 -0.077,629 -0.179,630 -0.127,631 0.24,632 0.171,633 0.255,634 0.211,635 0.172,636 0.232,637 -0.319,638 -0.108,639 -0.268,640 -0.105,641 -0.233,642 -0.156,643 1.434,644 3.46,645 0.778,646 12.173,647 1.017,648 1.136,649 1.137,650 1.293,651 0.682,652 3.045,653 3.332,654 3.584,655 3.829,656 3.892,657 3.892,658 3.932,659 4.007,660 3.912,661 3.871,662 5.087,663 0.669,664 241.28,665 3.045,666 4.554,667 5.389,668 6.248,669 7.101,670 7.965,671 8.826,672 9.693,673 10.558,674 11.429,675 17.2,680 1,683 2,684 1,685 1,687 2,688 6,689 1,690 2,693 3,695 15,711 1,714 29,716 16,717 1,718 20,720 31,721 12,722 11,723 3,724 3,725 1,730 3,731 4,733 1,745 12,750 1,757 1,758 1,761 1,764 11,765 4,766 4,767 6,770 1,773 5,777 0.667,778 1,788 1,792 2,793 1,796 1,819 2,827 18,832 1,834 1,847 3.4,849 1,854 8.667,855 4.933,856 3.972,857 1.485,858 3.351,859 1.522,860 1.011,861 2.84,862 9.769,863 3.384,864 4.016,865 4.644,866 5.273,867 5.653,868 5.982,869 6.342,870 6.728,871 6.791,872 7.064,873 1,874 22,875 6.554,877 2.752,878 7.824,879 12.283,881 9.796,883 2.324,884 41.833,885 0.001,888 82.398,889 74.42,890 84.908,892 42.683,895 74.42,896 125.081,897 84.908,900 46.524,901 109.947,902 66.939,903 25.686,904 35.313,906 82.398,907 159.328,908 42.683,911 82.398,912 42.683,915 61.181,916 54.426,917 43.721,919 82.398,920 127.591,921 74.42,924 82.398,925 9.802,926 64.618,927 51.459,928 76.132,929 82.398,930 127.591,931 74.42,933 0.572,934 0.33,935 0.18,936 0.085,937 14,938 5,939 0.097,940 3,941 1,942 1.143,943 3.224,944 125.542,945 0.143,946 14,947 73.059,951 11.013,952 4.641,953 2.301,954 1.868,955 94.02,956 10.337,957 3.983,958 5.985,961 1.699,963 94.143,964 284.409,965 28.5,972 1.667,973 4.066,975 29.487,976 32.947,977 0.342,978 0.765,979 0.938,980 1,981 1,982 1,983 4.572,984 0.635,985 5.342,986 2.125,987 4.007,988 4.7,990 6.103,991 3.918,992 5.783,993 0.618,994 6.862,995 1.477,996 3.434,997 4.407,999 6.899,1000 3.317,1001 7.079,1002 -0.105,1003 8.482,1004 1.372,1005 5.541,1006 6.964,1008 9.995,1009 5.384,1010 8.42,1011 -0.456,1012 10.166,1013 -0.248,1014 5.861,1015 7.622,1017 11.706,1018 5.687,1019 9.795,1020 -0.868,1021 11.894,1022 -1.092,1023 7.368,1024 9.54,1026 14.293,1027 7.168,1028 11.196,1029 -1.094,1030 13.652,1031 -2.56,1032 8.107,1033 10.65,1035 16.38,1036 7.901,1037 12.617,1038 -1.361,1039 15.434,1040 -2.782,1041 9.374,1042 12.314,1044 18.803,1045 9.15,1046 3.087,1047 -1.53,1048 17.235,1049 -3.082,1050 10.315,1051 13.64,1053 21.042,1054 10.088,1055 2.542,1056 10.343,1057 19.05,1058 -4.06,1059 11.486,1060 15.203,1062 23.409,1063 11.246,1064 2.263,1065 7.001,1066 20.877,1067 4.512,1068 12.522,1069 16.628,1071 25.707,1072 12.278,1073 1.942,1074 6.215,1075 22.714,1076 3.486,1077 13.658,1078 18.153,1080 28.055,1081 13.403,1082 1.441,1083 5.699,1084 24.559,1085 3.094,1086 14.739,1087 19.622,1089 30.376,1090 14.478,1091 1.24,1092 3.515,1093 26.41,1094 2.736,1095 15.863,1096 21.134,1098 32.716,1099 15.592,1100 0.956,1101 2.936,1102 28.266,1103 2.022,1104 16.966,1105 22.623,1107 35.046,1108 16.686,1109 3028,1110 5342,1111 13.811,1112 19.767,1113 30.036,1114 29.525,1115 29.697,1116 29.443,1117 29.448,1118 41.702,1120 81.367,1121 28.051,1122 5.276,1123 5.118,1124 6.2,1125 5.128,1126 5.087,1127 7.512,1129 17.002,1130 5.037,1131 5.099,1132 1.502,1133 1.476,1134 1.485,1135 1.472,1136 1.472,1137 2.085,1139 4.068,1140 1.403,1141 4.124,1142 4.157,1143 4.087,1144 4.036,1145 6.471,1146 4.044,1147 3.885,1148 3.961,1149 3.833,1150 3.645,1151 5.058,1152 3.683,1153 3.481,1154 3.525,1155 3.41,1156 3.34,1157 4.933,1158 3.35,1159 3.226,1160 3.314,1161 3.143,1162 2.945,1163 4.556,1164 2.982,1165 2.908,1166 2.973,1167 2.789,1168 2.736,1169 4.101,1170 2.743,1171 2.588,1172 2.687,1173 2.422,1174 2.38,1175 3.709,1176 2.382,1177 2.544,1178 2.595,1179 2.393,1180 2.277,1181 3.611,1182 2.288,1183 2.417,1184 2.557,1185 2.241,1186 2.017,1187 3.426,1188 2.053,1189 0.228,1190 0.156,1191 0.327,1192 0.204,1193 0.154,1194 4.554,1195 0.226,1196 3.118,1198 6.543,1199 0.517,1200 4.071,1201 0.152,1202 3.087,1203 4.512,1205 10.343,1206 3.037,1207 1.926,1208 1.908,1209 2.002,1210 2.015,1211 1.141,1212 2.011,1213 1.584,1214 1.527,1215 1.708,1216 1.831,1217 0.732,1218 1.794,1219 1.439,1220 1.364,1221 1.618,1222 1.698,1223 0.593,1224 1.68,1225 1.317,1226 1.243,1227 1.446,1228 1.57,1229 0.354,1230 1.55,1231 1.078,1232 1.027,1233 1.243,1234 1.345,1235 0.253,1236 1.316,1237 0.805,1238 0.736,1239 1.079,1240 1.052,1241 0.113,1242 1.04,1243 0.705,1244 0.635,1245 0.943,1246 0.99,1248 1,1249 0.17,1250 0.016,1251 0.661,1252 0.647,1254 0.66,1255 3.714,1257 5.004,1258 3.045,1259 6.472,1260 5.283,1261 8.029,1262 7.273,1263 9.638,1270 9.46,1272 2.769,1280 19.402,1281 48.199,1282 107.72,1283 132.127,1284 140.881,1285 140.881,1286 140.881,1287 18.88,1288 6.418,1289 89.09,1290 89.09,1291 16,1292 11.973,1293 4.087,1294 3.248,1295 25.929,1296 54,1297 46,1298 0.234,1299 121.174,1300 191.69,1301 287.425,1302 4744,1304 12.372,1305 0.687,1306 0.521,1307 12.372,1308 9.383,1309 8.826,1310 0.441,1311 0.271,1312 5.314,1313 8.413,1314 5.245,1315 4.368,1316 8.826,1317 5.413,1318 7.761,1319 0.287,1320 0.14,1321 7.761,1322 3.782,1323 6.486,1324 0.185,1325 0.073,1326 6.486,1327 2.57,1328 5.392,1329 0.12,1330 0.038,1331 5.392,1332 1.726,1333 3.82,1334 0.08,1335 0.02,1336 3.82,1337 0.977,1338 0.367,1339 55.853,1340 0.269,1341 18.353,1342 0.636,1343 94,1344 288.439,1345 104.541,1346 284.585,1347 393.05,1348 266,1349 109,1350 298.538,1351 119.487,1352 302.025,1353 433.93,1354 284,1355 5.75} {0 CHEMBL79561,1 1.534,2 13.387,3 3.526,4 12.432,5 120.854,6 7.36,7 0.457,8 4.148,9 4.268,10 3.709,11 3.711,12 5.214,13 3.689,14 4.718,15 4.883,16 4.09,17 4.144,18 5.785,19 4.1,20 5.002,21 5.203,22 4.142,23 4.314,24 5.992,25 4.231,26 5.078,27 5.301,28 4.051,29 4.317,30 6.005,31 4.195,32 5.107,33 5.373,34 3.962,35 4.228,36 5.96,37 4.087,38 5.013,39 5.28,40 3.856,41 4.088,42 5.892,43 3.967,44 4.882,45 5.13,46 3.773,47 3.999,48 5.872,49 3.885,50 4.8,51 5.062,52 3.545,53 3.924,54 5.687,55 3.767,56 0.033,57 0.887,58 11.83,59 5.418,60 9.514,61 6.947,62 0.212,63 1.472,64 22.979,65 9.449,66 31.599,67 12.318,68 0.304,69 1.856,70 32.461,71 12.988,72 46.837,73 17.026,74 0.319,75 1.92,76 35.633,77 14.196,78 47.797,79 19.262,80 0.346,81 1.916,82 38.711,83 14.392,84 51.451,85 20.426,86 0.445,87 1.734,88 36.108,89 12.281,90 61.466,91 17.049,92 0.547,93 1.565,94 31.369,95 10.847,96 70.88,97 14.627,98 0.407,99 1.451,100 28.901,101 10.554,102 56.272,103 14.461,104 11,105 50,106 0.249,107 0.632,108 0.836,109 0.903,110 0.903,111 0.903,112 3.471,113 0.927,114 -4.25,115 -4.19,116 -3.96,119 43.9,121 3,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 7,173 1,174 1,176 4,178 16,180 1,182 5,186 5,189 13,191 2,192 1,193 6,197 4,199 10,201 2,203 6,208 2,211 5,213 2,215 6,218 1,222 5,225 1,226 4,228 1,229 1,231 1,233 6,235 1,237 2,242 1,244 10,248 1,249 1,251 1,252 1,256 9,259 1551,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.924,266 21.562,267 12.287,268 21.513,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 13.798,275 22.352,276 5.82,277 17.832,278 4.299,279 1.945,280 0.693,281 0.281,282 0.281,283 0.281,284 4.183,288 1,289 1,290 925,291 3.162,294 70.422,295 345.769,298 131.719,299 142.253,302 2.052,303 31.068,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 415,316 4.607,317 3.522,318 6.717,319 4.156,320 3.169,321 4.543,322 1.151,323 10.936,324 3.13,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.946,335 3.254,336 5.903,337 3.649,338 2.66,339 3.344,340 0.916,341 8.14,342 2.634,343 3.927,344 2.954,345 5.772,346 3.579,347 2.606,348 3.265,349 0.172,350 7.872,351 2.527,352 3.566,353 2.746,354 5.332,355 3.278,356 2.334,357 2.93,359 6.858,360 2.194,361 3.4,362 2.484,363 5.134,364 3.04,365 2.098,366 2.511,368 6.001,369 1.963,370 3.167,371 2.377,372 4.961,373 2.941,374 1.978,375 2.284,377 5.822,378 1.888,379 2.988,380 1.979,381 4.577,382 2.538,383 1.571,384 2.117,386 4.435,387 1.52,388 2.881,389 1.792,390 4.188,391 2.502,392 1.522,393 1.964,395 3.82,396 1.48,397 2.637,398 1.624,399 3.97,400 2.183,401 1.182,402 1.675,404 3.055,405 1.169,406 2.594,407 1.412,408 3.783,409 2.123,410 1.163,411 1.565,413 2.83,414 1.111,415 2.219,416 1.233,417 3.446,418 1.984,419 1.016,420 1.184,422 2.391,423 0.983,424 2.122,425 1.159,426 3.414,427 1.984,428 1,429 1.046,431 2.275,432 0.977,433 2.03,434 0.82,435 3.244,436 1.631,437 0.67,438 0.893,440 1.597,441 0.64,442 1.659,443 0.687,444 3.134,445 1.479,446 0.513,447 0.587,449 1.258,450 0.493,451 14.652,452 0.473,453 0.763,454 0.025,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 28.464,462 0.918,463 33.348,464 0.585,465 27.645,466 0.892,467 7.328,468 0.236,469 7.752,470 0.25,471 0.07,473 0.369,477 1,479 0.707,480 1.062,481 0.78,482 1.004,483 0.595,484 0.916,485 0.863,486 0.972,487 0.898,488 0.968,489 0.5,490 0.941,491 0.99,492 0.994,493 1.029,494 1.04,495 0.796,496 1.043,497 0.763,498 1.043,499 1.075,500 1.186,501 0.698,502 1.193,503 0.614,504 0.97,505 0.886,506 1.067,507 0.547,508 1.038,509 1.024,510 0.913,511 0.992,512 0.93,513 0.865,514 0.947,515 1.129,516 0.962,517 1.104,518 0.958,519 1.125,520 1.012,521 0.972,522 0.938,523 1.145,524 1.051,525 1.05,526 1.117,527 6,528 0.144,529 4,530 1.757,531 1.747,532 1.046,533 0.573,534 0.346,535 0.232,536 0.218,537 15188,538 39789,539 2.16,540 45.6,542 16,543 1,545 3,547 4,548 2,550 1.73,551 2.044,552 3.677,553 0.812,555 1,559 87.412,560 1.534,561 3.888,562 5.14,563 5.552,564 5.552,565 5.552,566 3.127,567 4.761,568 4.928,569 3.885,570 1806.71,571 8.569,572 26702.4,574 1,577 332.475,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.034,584 0.04,585 0.027,586 0.016,587 0.011,588 0.009,589 0.009,590 0.404,591 0.17,592 0.88,593 0.646,594 163.855,595 -0.047,596 -0.003,597 0.044,598 0.038,599 -0.044,600 0.058,601 -0.041,602 0.027,603 -0.007,604 0.042,605 0.086,606 0.028,607 -0.106,608 -0.02,609 -0.096,610 -0.029,611 -0.02,612 -0.055,613 -0.02,614 -0.146,615 -0.145,616 -0.184,617 -0.026,618 -0.19,619 0.083,620 -0.126,621 0.082,622 -0.088,623 0.059,624 -0.022,625 -0.061,626 -0.01,627 0.019,628 0.018,629 -0.046,630 0.031,631 -0.018,632 0.019,633 -0.089,634 0.004,635 -0.054,636 -0.043,637 -0.05,638 0.042,639 -0.151,640 -0.065,641 -0.103,642 -0.116,643 2.056,644 5.691,645 0.806,646 32.035,647 1.001,648 1.127,649 3.023,650 9.142,651 0.667,652 3.584,653 3.932,654 4.234,655 4.511,656 4.771,657 4.86,658 4.984,659 5.069,660 5.159,661 5.193,662 7.908,663 0.635,664 419.54,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.671,671 9.559,672 10.451,673 11.342,674 12.235,675 5.3,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,713 1,714 57,716 18,717 2,718 35,720 61,721 25,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 26,765 5,766 3,767 6,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 3.5,850 1,851 1,854 15.167,855 10.01,856 6.667,857 3.53,858 3.564,859 1.424,860 1.035,861 5.554,862 11.965,863 3.829,864 4.44,865 5.043,866 5.633,867 6.159,868 6.465,869 6.789,870 7.049,871 7.111,872 7.255,873 0.889,874 51,875 11.529,877 5.059,878 7.753,879 22.315,881 19.22,883 2.253,884 69.833,887 1,888 270.735,889 128.365,890 52.807,892 36.145,893 14.96,895 128.365,896 306.88,897 67.767,899 51.41,900 75.381,901 40.849,902 47.532,903 28.875,904 258.964,906 270.735,907 181.172,908 51.105,911 215.069,912 95.772,913 11,915 71.32,916 100.376,917 9.476,919 285.695,920 88.952,921 128.365,924 270.735,925 52.984,926 78.505,927 16.786,928 84.002,929 270.735,930 103.912,931 128.365,933 0.589,934 0.347,935 0.187,936 0.106,937 26,938 11,939 0.082,940 5,941 2,942 1.16,943 4.349,944 284.386,945 0.16,946 25,947 151.58,951 20.289,952 8.486,953 4.125,954 1.912,955 87.126,956 12.562,958 3.246,961 3.793,963 49.683,964 503.012,965 45,970 11.46,972 2.256,974 0.881,975 57.076,976 64.236,977 0.263,978 0.667,979 0.881,980 0.952,981 0.952,982 0.952,983 5.088,984 1.571,985 5.999,986 5.822,987 4.615,988 5.127,989 1.956,990 6.823,991 4.559,992 6.293,993 1.522,994 7.566,995 4.435,996 4.205,997 4.977,998 0.325,999 7.745,1000 4.131,1001 7.608,1002 1.182,1003 9.231,1004 3.82,1005 6.225,1006 7.339,1007 1.989,1008 10.844,1009 6.131,1010 8.957,1011 1.163,1012 10.954,1013 3.055,1014 6.635,1015 8.048,1016 0.393,1017 12.606,1018 6.536,1019 10.34,1020 1.016,1021 12.715,1022 2.83,1023 8.118,1024 9.89,1025 2.094,1026 15.22,1027 8.001,1028 11.747,1029 1,1030 14.503,1031 2.391,1032 8.906,1033 11.004,1034 0.384,1035 17.331,1036 8.788,1037 13.173,1038 0.67,1039 16.31,1040 2.275,1041 10.173,1042 12.637,1043 2.241,1044 19.783,1045 10.04,1046 3.169,1047 0.513,1048 18.132,1049 1.597,1050 11.143,1051 13.949,1052 0.351,1053 22.042,1054 11.006,1055 3.077,1056 10.936,1057 19.965,1058 1.258,1059 12.322,1060 15.496,1061 2.418,1062 24.439,1063 12.173,1064 2.66,1065 10.291,1066 21.808,1067 4.543,1068 13.378,1069 16.905,1070 0.312,1071 26.762,1072 13.222,1073 2.606,1074 8.14,1075 23.658,1076 4.006,1077 14.525,1078 18.419,1079 2.619,1080 29.141,1081 14.357,1082 2.334,1083 7.872,1084 25.515,1085 3.344,1086 15.621,1087 19.874,1088 0.273,1089 31.492,1090 15.445,1091 2.098,1092 6.858,1093 27.378,1094 3.265,1095 16.757,1096 21.378,1097 2.839,1098 33.867,1099 16.57,1100 1.978,1101 6.001,1102 29.245,1103 2.93,1104 17.874,1105 22.857,1106 0.236,1107 36.231,1108 17.677,1109 13974,1110 22730,1111 23.868,1112 38,1113 53.682,1114 54.293,1115 54.498,1116 53.202,1117 53.118,1118 67.829,1119 6.439,1120 155.157,1121 51.493,1122 5.572,1123 5.522,1124 6.253,1125 5.241,1126 5.169,1127 7.543,1128 2.302,1129 18.065,1130 5.13,1131 13.422,1132 1.534,1133 1.551,1134 1.557,1135 1.52,1136 1.518,1137 1.938,1138 0.184,1139 4.433,1140 1.471,1141 4.146,1142 4.178,1143 4.107,1144 4.064,1145 8.201,1146 4.07,1147 4.014,1148 4.037,1149 3.958,1150 3.943,1151 7.437,1152 3.943,1153 3.814,1154 3.872,1155 3.718,1156 3.683,1157 4.946,1158 3.684,1159 3.582,1160 3.618,1161 3.497,1162 3.425,1163 4.902,1164 3.432,1165 3.438,1166 3.493,1167 3.359,1168 3.275,1169 4.747,1170 3.282,1171 3.342,1172 3.412,1173 3.2,1174 3.183,1175 4.43,1176 3.177,1177 3.223,1178 3.288,1179 3.099,1180 2.988,1181 4.376,1182 3.008,1183 3.042,1184 3.132,1185 2.902,1186 2.879,1187 4.124,1188 2.859,1189 0.132,1190 0.101,1191 0.192,1192 0.119,1193 0.091,1194 4.607,1195 0.13,1196 3.522,1197 0.033,1198 6.717,1199 0.312,1200 4.156,1201 0.089,1202 3.169,1203 4.543,1204 1.151,1205 10.936,1206 3.13,1207 1.987,1208 1.966,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.951,1214 1.93,1215 2.046,1216 2.037,1217 1.302,1218 2.041,1219 1.818,1220 1.771,1221 1.96,1222 1.974,1223 1.128,1224 1.973,1225 1.563,1226 1.518,1227 1.759,1228 1.752,1229 1.037,1230 1.75,1231 1.439,1232 1.385,1233 1.664,1234 1.666,1235 0.86,1236 1.659,1237 1.344,1238 1.275,1239 1.569,1240 1.549,1241 0.705,1242 1.572,1243 1.136,1244 1.081,1245 1.43,1246 1.436,1247 0.673,1248 1.425,1249 1.08,1250 0.997,1251 1.359,1252 1.298,1253 0.455,1254 1.348,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.434,1267 13.691,1269 5.419,1271 6.104,1273 6.037,1275 0.049,1276 2.425,1280 36.199,1281 87.412,1282 221.607,1283 292.965,1284 316.475,1285 316.475,1286 316.475,1287 52.708,1288 8.402,1289 71.35,1290 71.35,1291 29,1292 12.762,1293 4.248,1294 3.459,1295 44.015,1296 151,1297 127,1298 0.142,1299 216.839,1300 379.45,1301 520.847,1302 62537,1303 1.8,1304 21.372,1305 0.689,1306 0.56,1307 20.501,1308 17.365,1309 15.081,1310 0.431,1311 0.309,1312 10.675,1313 14.546,1314 10.488,1315 8.562,1316 14.687,1317 10.809,1318 13.874,1319 0.277,1320 0.167,1321 13.24,1322 8.348,1323 11.954,1324 0.176,1325 0.095,1326 11.611,1327 6.455,1328 10.028,1329 0.111,1330 0.053,1331 9.816,1332 4.747,1333 8.463,1334 0.072,1335 0.03,1336 8.137,1337 3.462,1338 0.23,1339 94.19,1340 0.205,1341 29.581,1342 0.37,1343 170,1344 492.872,1345 184.417,1346 451.774,1347 613.92,1348 424,1349 203,1350 444.445,1351 216.555,1352 445.817,1353 657.55,1354 422,1355 6.886} {0 CHEMBL79674,1 1.519,2 13.903,3 3.641,4 13.256,5 120.157,6 7.145,7 0.457,8 4.178,9 4.301,10 3.713,11 3.73,12 5.209,13 3.702,14 4.767,15 4.938,16 4.097,17 4.176,18 5.79,19 4.122,20 5.08,21 5.295,22 4.153,23 4.358,24 6.013,25 4.262,26 5.163,27 5.399,28 4.068,29 4.367,30 6.051,31 4.23,32 5.182,33 5.457,34 3.943,35 4.278,36 5.969,37 4.121,38 5.082,39 5.363,40 3.831,41 4.139,42 5.86,43 3.993,44 4.944,45 5.204,46 3.777,47 4.039,48 5.858,49 3.909,50 4.858,51 5.12,52 3.593,53 3.961,54 5.727,55 3.81,56 0.03,57 0.921,58 12.836,59 5.728,60 9.279,61 7.519,62 0.208,63 1.54,64 24.984,65 10.105,66 32.905,67 13.496,68 0.318,69 1.968,70 36.098,71 14.042,72 49.638,73 18.958,74 0.41,75 2.053,76 39.768,77 15.245,78 54.804,79 21.327,80 0.319,81 1.985,82 41.963,83 15.303,84 52.061,85 22.003,86 0.428,87 1.74,88 38.682,89 13.104,90 57.451,91 18.956,92 0.525,93 1.569,94 33.508,95 11.469,96 64.711,97 16.134,98 0.354,99 1.524,100 30.704,101 11.045,102 53.707,103 15.088,104 11,105 50,106 0.246,107 0.598,108 0.791,109 0.856,110 0.871,111 0.871,112 3.471,113 0.953,114 -4.33,115 -4.26,116 -4.02,119 42.4,121 4,122 1,125 4,127 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 7,173 1,174 1,176 4,178 17,180 1,182 5,186 4,189 13,191 2,192 1,193 6,197 5,199 10,201 2,203 6,208 2,211 6,213 2,215 6,218 1,222 3,225 1,226 5,228 1,229 1,231 1,233 6,235 1,237 1,242 1,244 10,248 1,249 1,251 1,252 1,256 10,259 1562,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 19.17,266 25.257,267 12.284,268 21.513,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 14.16,275 28.554,276 5.816,277 17.831,278 4.364,279 2.19,280 1.005,281 0.602,282 0.508,283 0.508,284 4.183,288 1,289 1,290 960,291 3.162,294 70.422,295 346.178,298 131.719,299 142.42,302 2.054,303 30.429,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 431,316 4.58,317 3.522,318 6.712,319 4.153,320 3.165,321 4.515,322 1.151,323 10.913,324 3.127,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.932,335 3.305,336 5.903,337 3.649,338 2.662,339 3.265,340 0.8,341 8.14,342 2.634,343 3.825,344 2.926,345 5.786,346 3.587,347 2.613,348 3.204,350 7.935,351 2.535,352 3.538,353 2.774,354 5.339,355 3.302,356 2.362,357 2.679,359 6.896,360 2.212,361 3.303,362 2.474,363 5.137,364 3.013,365 2.056,366 2.46,368 6.012,369 1.958,370 3.154,371 2.332,372 4.96,373 2.914,374 1.959,375 2.262,377 5.723,378 1.852,379 2.962,380 1.979,381 4.514,382 2.533,383 1.57,384 2.125,386 4.337,387 1.508,388 2.881,389 1.792,390 4.189,391 2.502,392 1.529,393 1.968,395 3.822,396 1.482,397 2.615,398 1.539,399 4.026,400 2.201,401 1.222,402 1.607,404 3.236,405 1.191,406 2.543,407 1.315,408 3.783,409 2.168,410 1.182,411 1.538,413 2.831,414 1.15,415 2.215,416 1.148,417 3.446,418 1.984,419 1.011,420 1.178,422 2.388,423 0.983,424 2.031,425 1.077,426 3.414,427 1.981,428 1,429 1,431 2.275,432 0.974,433 2,434 0.78,435 3.229,436 1.6,437 0.637,438 0.85,440 1.517,441 0.611,442 1.646,443 0.64,444 3.135,445 1.473,446 0.509,447 0.581,449 1.243,450 0.488,451 14.652,452 0.473,453 0.763,454 0.025,455 35.5,456 1.145,457 15.5,458 0.5,459 20,460 0.645,461 30.279,462 0.977,463 33.948,464 0.575,465 25.714,466 0.829,467 6.755,468 0.218,469 8.326,470 0.269,471 0.07,473 0.369,477 1,479 0.706,480 1.096,481 0.807,482 1.044,483 0.588,484 0.954,485 0.844,486 1.003,487 0.921,488 1.013,489 0.484,490 0.984,491 0.952,492 0.988,493 1.02,494 1.041,495 0.754,496 1.044,497 0.701,498 0.989,499 1.059,500 1.164,501 0.639,502 1.178,503 0.658,504 0.974,505 0.919,506 1.06,507 0.559,508 1.041,509 0.829,510 0.825,511 0.941,512 0.922,513 0.664,514 0.943,515 0.945,516 0.887,517 1.016,518 0.939,519 0.867,520 0.981,521 1.142,522 1.07,523 1.156,524 1.07,525 1.15,526 1.109,527 6,528 0.16,529 4,530 1.882,531 1.747,532 0.99,533 0.573,534 0.393,535 0.199,536 0.234,537 15284,538 39142,539 2.16,540 47.5,541 1,542 15,543 1,545 3,547 6,548 2,550 1.73,551 2.044,552 3.716,553 0.812,555 1,559 89.619,560 1.519,561 3.692,562 4.878,563 5.281,564 5.374,565 5.374,566 3.183,567 4.696,568 4.927,569 3.907,570 1816.95,571 8.566,572 26872.9,574 1,577 347.076,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.04,585 0.026,586 0.017,587 0.012,588 0.008,589 0.01,590 0.407,591 0.17,592 0.88,593 0.646,594 164.046,595 -0.043,596 -0.006,597 0.048,598 0.037,599 -0.032,600 0.058,601 -0.033,602 0.011,603 -0.014,604 0.021,605 0.096,606 0.01,607 -0.092,608 -0.017,609 -0.079,610 -0.024,611 -0.007,612 -0.044,613 0.029,614 -0.09,615 -0.124,616 -0.163,617 0.007,618 -0.173,619 0.02,620 -0.132,621 0.037,622 -0.086,623 0.024,624 -0.034,625 -0.025,626 -0.007,627 0.041,628 0.019,629 -0.032,630 0.038,631 0.027,632 -0.005,633 -0.023,634 0.015,635 -0.004,636 -0.008,637 -0.123,638 -0.05,639 -0.159,640 -0.084,641 -0.121,642 -0.12,643 2.047,644 5.468,645 0.806,646 32.489,647 0.999,648 1.13,649 3.099,650 9.605,651 0.657,652 3.584,653 3.932,654 4.234,655 4.511,656 4.762,657 4.86,658 4.997,659 5.069,660 5.142,661 5.204,662 7.976,663 0.622,664 421.56,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.67,671 9.557,672 10.45,673 11.34,674 12.233,675 5.1,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,713 1,714 59,716 17,717 2,718 35,720 63,721 25,722 14,723 6,724 6,725 1,730 5,731 7,740 4,741 1,743 5,745 15,746 10,747 1,750 1,755 1,759 1,761 1,762 1,764 28,765 5,766 3,767 6,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,815 1,818 1,819 3,825 1,827 31,828 1,833 8,835 1,837 2,838 1,846 1,847 3.4,850 1,851 1,854 15.167,855 10.26,856 6.667,857 3.759,858 3.171,859 1.377,860 1.022,861 5.724,862 11.573,863 3.807,864 4.404,865 4.996,866 5.575,867 6.078,868 6.369,869 6.687,870 6.882,871 6.83,872 6.938,873 1,874 51,875 11.547,877 5.077,878 7.726,879 22.516,881 19.614,883 2.226,884 69,887 1,888 294.278,889 118.238,890 52.807,892 36.145,893 14.96,895 118.238,896 330.422,897 67.767,899 53.945,900 65.905,901 40.849,902 44.346,903 28.875,904 282.506,906 294.278,907 171.045,908 51.105,911 215.069,912 119.314,913 11,915 73.855,916 97.19,919 309.238,920 88.952,921 118.238,924 294.278,925 52.333,926 69.029,927 16.786,928 84.002,929 294.278,930 103.912,931 118.238,933 0.589,934 0.347,935 0.187,936 0.105,937 26,938 11,939 0.079,940 5,941 2,942 1.16,943 4.358,944 283.876,945 0.16,946 25,947 149.58,951 20.534,952 8.641,953 4.216,954 2.021,955 87.126,956 12.798,958 3.227,961 4.054,963 49.683,964 516.427,965 44,970 11.465,974 -0.381,975 58.96,976 66.651,977 0.258,978 0.628,979 0.829,980 0.898,981 0.914,982 0.914,983 5.069,984 1.57,985 5.999,986 5.723,987 4.615,988 5.091,989 1.876,990 6.823,991 4.559,992 6.263,993 1.529,994 7.566,995 4.337,996 4.205,997 4.934,998 0.325,999 7.745,1000 4.131,1001 7.572,1002 1.222,1003 9.231,1004 3.822,1005 6.225,1006 7.284,1007 1.919,1008 10.843,1009 6.131,1010 8.915,1011 1.182,1012 10.954,1013 3.236,1014 6.635,1015 7.995,1016 0.268,1017 12.605,1018 6.536,1019 10.293,1020 1.011,1021 12.715,1022 2.831,1023 8.118,1024 9.831,1025 2.039,1026 15.217,1027 8.001,1028 11.695,1029 1,1030 14.503,1031 2.388,1032 8.906,1033 10.947,1034 0.188,1035 17.326,1036 8.788,1037 13.117,1038 0.637,1039 16.31,1040 2.275,1041 10.173,1042 12.578,1043 2.2,1044 19.777,1045 10.039,1046 3.165,1047 0.509,1048 18.131,1049 1.517,1050 11.142,1051 13.889,1052 0.125,1053 22.033,1054 11.005,1055 3.077,1056 10.913,1057 19.964,1058 1.243,1059 12.321,1060 15.434,1061 2.388,1062 24.429,1063 12.171,1064 2.662,1065 10.291,1066 21.807,1067 4.515,1068 13.376,1069 16.839,1070 0.082,1071 26.749,1072 13.22,1073 2.613,1074 8.14,1075 23.657,1076 4.006,1077 14.522,1078 18.351,1079 2.597,1080 29.126,1081 14.354,1082 2.362,1083 7.935,1084 25.514,1085 3.265,1086 15.617,1087 19.801,1088 0.054,1089 31.475,1090 15.441,1091 2.056,1092 6.896,1093 27.375,1094 3.204,1095 16.752,1096 21.3,1097 2.824,1098 33.848,1099 16.565,1100 1.959,1101 6.012,1102 29.242,1103 2.679,1104 17.868,1105 22.773,1106 0.035,1107 36.209,1108 17.671,1109 14064,1110 22624,1111 23.868,1112 38.762,1113 53.503,1114 53.995,1115 54.493,1116 53.192,1117 53.107,1118 66.478,1119 5.861,1120 155.118,1121 51.482,1122 5.58,1123 5.522,1124 6.249,1125 5.238,1126 5.165,1127 7.515,1128 2.302,1129 18.066,1130 5.127,1131 13.5,1132 1.529,1133 1.543,1134 1.557,1135 1.52,1136 1.517,1137 1.899,1138 0.167,1139 4.432,1140 1.471,1141 4.147,1142 4.181,1143 4.104,1144 4.061,1145 8.201,1146 4.067,1147 4.014,1148 4.037,1149 3.958,1150 3.943,1151 7.437,1152 3.943,1153 3.816,1154 3.878,1155 3.704,1156 3.673,1157 4.933,1158 3.671,1159 3.584,1160 3.622,1161 3.496,1162 3.425,1163 4.901,1164 3.431,1165 3.444,1166 3.5,1167 3.363,1168 3.279,1169 4.747,1170 3.287,1171 3.343,1172 3.415,1173 3.192,1174 3.186,1175 4.391,1176 3.178,1177 3.224,1178 3.288,1179 3.099,1180 2.989,1181 4.298,1182 3.008,1183 3.111,1184 3.206,1185 2.897,1186 2.941,1187 4.153,1188 2.91,1189 0.131,1190 0.101,1191 0.192,1192 0.119,1193 0.09,1194 4.58,1195 0.129,1196 3.522,1197 0.033,1198 6.712,1199 0.312,1200 4.153,1201 0.089,1202 3.165,1203 4.515,1204 1.151,1205 10.913,1206 3.127,1207 1.987,1208 1.966,1209 2.105,1210 2.091,1211 1.458,1212 2.097,1213 1.953,1214 1.93,1215 2.068,1216 2.046,1217 1.346,1218 2.054,1219 1.822,1220 1.769,1221 1.966,1222 1.981,1223 1.133,1224 1.979,1225 1.568,1226 1.521,1227 1.771,1228 1.76,1229 1.06,1230 1.76,1231 1.444,1232 1.39,1233 1.665,1234 1.672,1235 0.86,1236 1.665,1237 1.349,1238 1.279,1239 1.578,1240 1.556,1241 0.825,1242 1.579,1243 1.153,1244 1.083,1245 1.513,1246 1.436,1247 0.727,1248 1.429,1249 1.139,1250 1.064,1251 1.365,1252 1.376,1253 0.494,1254 1.426,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.433,1267 13.468,1269 5.426,1271 7.768,1273 6.056,1275 0.584,1276 2.514,1280 36.725,1281 89.619,1282 217.836,1283 287.792,1284 311.566,1285 317.076,1286 317.076,1287 54.098,1288 8.402,1289 71.35,1290 71.35,1291 29,1292 12.76,1293 4.17,1294 3.322,1295 44.035,1296 152,1297 137,1298 0.141,1299 219.766,1300 382.09,1301 527.99,1302 62537,1303 1.7,1304 21.372,1305 0.689,1306 0.567,1307 20.501,1308 17.572,1309 15.081,1310 0.431,1311 0.318,1312 10.98,1313 14.546,1314 10.798,1315 8.808,1316 14.687,1317 11.114,1318 13.874,1319 0.277,1320 0.175,1321 13.24,1322 8.726,1323 11.947,1324 0.176,1325 0.101,1326 11.611,1327 6.876,1328 10.075,1329 0.112,1330 0.057,1331 9.816,1332 5.155,1333 8.384,1334 0.072,1335 0.033,1336 8.137,1337 3.828,1338 0.229,1339 94.19,1340 0.205,1341 29.624,1342 0.367,1343 170,1344 480.872,1345 184.417,1346 439.043,1347 595.57,1348 412,1349 203,1350 430.445,1351 216.555,1352 430.687,1353 635.13,1354 408,1355 8.076} {0 CHEMBL79693,1 1.347,2 13.355,3 4.05,4 16.405,5 125.305,6 6.797,7 0.486,8 4.192,9 4.314,10 3.694,11 3.784,12 5.174,13 3.737,14 4.778,15 4.949,16 4.057,17 4.223,18 5.723,19 4.147,20 5.099,21 5.316,22 4.143,23 4.424,24 5.947,25 4.309,26 5.186,27 5.421,28 4.057,29 4.44,30 5.998,31 4.287,32 5.22,33 5.49,34 3.962,35 4.382,36 5.941,37 4.207,38 5.156,39 5.435,40 3.853,41 4.247,42 5.888,43 4.077,44 5.016,45 5.288,46 3.74,47 4.112,48 5.842,49 3.951,50 4.875,51 5.15,52 3.52,53 4.011,54 5.588,55 3.824,56 0.058,57 0.833,58 13.752,59 6.093,60 9.143,61 8.243,62 0.233,63 1.428,64 25.971,65 10.662,66 29.541,67 14.582,68 0.278,69 1.884,70 36.737,71 14.97,72 37.453,73 20.677,74 0.323,75 2.023,76 40.36,77 16.541,78 40.932,79 23.133,80 0.262,81 2.051,82 42.357,83 17.102,84 35.795,85 24.351,86 0.339,87 1.908,88 40.486,89 15.061,90 41.316,91 21.582,92 0.502,93 1.658,94 35.509,95 12.732,96 54.353,97 18.221,98 0.248,99 1.44,100 30.275,101 11.777,102 30.076,103 16.778,104 6,105 49,106 0.217,107 0.532,108 0.72,109 0.819,110 0.864,111 0.875,112 3.472,113 0.98,114 -5.08,115 -4.97,116 -4.66,119 44.3,121 4,122 1,125 4,127 1,140 10,141 6,156 1,161 1,162 1,163 1,169 21,172 7,173 1,174 1,176 1,178 28,180 1,182 5,186 2,189 26,191 2,192 1,193 6,197 2,199 21,201 2,203 7,208 2,211 11,213 2,215 8,222 5,225 1,226 6,228 1,229 1,231 1,233 7,235 1,237 2,244 12,248 1,249 2,251 1,252 1,256 12,259 1542,260 21.43,261 21.43,262 21.43,263 21.43,264 21.43,265 19.324,266 23.629,267 12.634,268 21.655,269 17.291,270 17.291,271 17.291,272 17.291,273 17.291,274 14.081,275 27.892,276 5.962,277 17.64,278 4.583,279 2.619,280 1.451,281 0.836,282 0.557,283 0.492,284 4.187,288 1,289 1,290 924,291 3.082,295 419.446,299 280.619,302 2.021,303 21.207,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 414,316 4.533,317 3.522,318 6.689,319 4.125,320 3.126,321 4.447,322 1.151,323 10.829,324 3.123,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.932,335 3.266,336 5.903,337 3.648,338 2.656,339 3.265,340 0.8,341 8.14,342 2.634,343 3.769,344 2.832,345 5.772,346 3.569,347 2.593,348 3.071,350 7.854,351 2.536,352 3.453,353 2.519,354 5.335,355 3.259,356 2.298,357 2.524,359 6.865,360 2.193,361 3.17,362 2.451,363 5.135,364 2.958,365 1.988,366 2.427,368 6,369 1.92,370 3.118,371 1.979,372 4.618,373 2.618,374 1.618,375 2.261,377 4.576,378 1.618,379 2.886,380 1.792,381 4.189,382 2.57,383 1.58,384 1.985,386 3.822,387 1.564,388 2.852,389 1.618,390 4.036,391 2.522,392 1.56,393 1.944,395 3.615,396 1.491,397 2.739,398 1.6,399 3.783,400 2.26,401 1.26,402 1.826,404 2.834,405 1.26,406 2.597,407 1.264,408 3.584,409 2.181,410 1.182,411 1.568,413 2.795,414 1.165,415 2.241,416 1.18,417 3.449,418 2.002,419 1.032,420 1.198,422 2.406,423 0.994,424 2.17,425 1.077,426 3.414,427 1.984,428 1,429 1.064,431 2.275,432 0.983,433 2,434 0.866,435 3.285,436 1.775,437 0.779,438 1,440 1.849,441 0.775,442 1.657,443 0.686,444 3.129,445 1.519,446 0.547,447 0.599,449 1.317,450 0.529,451 14.967,452 0.483,453 0.657,454 0.021,455 36.75,456 1.185,457 17.5,458 0.565,459 19.25,460 0.621,461 29.736,462 0.959,463 33.033,464 0.542,465 25.984,466 0.838,467 6.938,468 0.224,469 8.248,470 0.266,471 0.049,473 0.327,479 0.793,480 1.125,481 0.869,482 1.025,483 0.695,484 0.96,485 1.041,486 1.012,487 1.004,488 0.995,489 0.532,490 0.992,491 1.045,492 0.988,493 1.025,494 1.004,495 0.742,496 1.011,497 0.834,498 1.108,499 1.1,500 1.149,501 0.759,502 1.153,503 0.668,504 1.098,505 0.957,506 1.087,507 0.605,508 1.059,509 1.028,510 1.035,511 0.988,512 0.989,513 0.841,514 0.984,515 1.126,516 0.932,517 1.05,518 0.921,519 0.991,520 0.966,521 0.924,522 0.991,523 1.064,524 1.022,525 0.827,526 1.051,527 5,528 0.145,529 3.778,530 1.688,531 1.604,532 0.875,533 0.545,534 0.337,535 0.188,536 0.204,537 15161,538 33220,539 2.18,540 49.2,541 1,542 19,545 2,547 6,548 2,550 1.73,551 2.09,552 3.661,553 0.097,555 1,559 82.186,560 1.347,561 3.312,562 4.48,563 5.094,564 5.373,565 5.439,566 3.127,567 4.696,568 4.929,569 3.87,570 1799.48,571 8.572,572 26539.3,574 1,577 361.775,578 1.215,579 4.907,580 0.143,581 0.006,582 0.077,583 0.032,584 0.036,585 0.022,586 0.016,587 0.011,588 0.008,589 0.009,590 0.358,591 0.33,592 0.88,593 0.575,594 163.666,595 -0.015,596 0.019,597 0.059,598 0.039,599 -0.037,600 0.055,601 -0.019,602 0.076,603 -0.039,604 0.026,605 0.117,606 -0.002,607 -0.09,608 0.026,609 -0.056,610 0.004,611 0.015,612 -0.018,613 -0.005,614 -0.122,615 -0.139,616 -0.145,617 -0.017,618 -0.155,619 0.04,620 -0.15,621 0.006,622 -0.097,623 0.007,624 -0.058,625 -0.029,626 -0.075,627 0.009,628 -0.033,629 -0.05,630 -0.012,631 0.079,632 0.046,633 -0.035,634 0.023,635 0.026,636 -0.011,637 -0.073,638 -0.037,639 -0.086,640 -0.048,641 -0.071,642 -0.065,643 2.028,644 4.486,645 0.839,646 31.669,647 0.987,648 1.118,649 3.846,650 14.793,651 0.665,652 3.584,653 3.912,654 4.22,655 4.489,656 4.762,657 4.812,658 4.956,659 5.03,660 5.147,661 5.153,662 7.846,663 0.62,664 414.59,665 3.584,666 5.13,667 5.994,668 6.874,669 7.752,670 8.636,671 9.519,672 10.404,673 11.288,674 12.174,675 3.3,678 1,682 1,687 2,688 10,693 4,695 17,701 1,714 61,716 18,717 3,718 35,720 65,721 27,722 16,723 6,724 10,725 1,730 5,731 7,740 4,741 1,743 5,745 17,746 10,747 1,750 1,755 1,759 1,761 1,764 30,765 4,766 2,767 4,773 2,777 0.6,778 2,793 5,797 2,815 1,818 1,819 3,827 31,828 1,833 8,835 1,837 2,838 1,847 3.3,850 1,851 1,854 14.833,855 10.617,856 6.75,857 3.939,858 3.441,859 1.411,860 1.015,861 5.866,862 11.82,863 3.818,864 4.394,865 4.989,866 5.556,867 6.112,868 6.327,869 6.666,870 6.877,871 7.153,872 6.972,873 0.889,874 52,875 11.526,877 4.98,878 7.527,879 22.877,881 19.855,883 2.027,884 62.833,887 1,888 329.591,889 138.403,890 36.022,892 36.145,895 138.403,896 365.736,897 36.022,899 53.945,900 94.762,901 40.849,902 21.013,904 329.591,906 329.591,907 174.424,908 36.145,911 235.422,912 119.314,913 11,915 57.069,916 117.355,919 329.591,920 72.166,921 138.403,924 329.591,925 43.641,926 97.887,928 69.042,929 329.591,930 72.166,931 138.403,933 0.582,934 0.347,935 0.19,936 0.107,937 25,938 10,939 0.077,940 5,941 2,942 1.154,943 4.361,944 283.832,945 0.154,946 26,947 147.58,951 20.387,952 8.919,953 4.291,954 2.751,955 72.166,956 21.28,961 4.534,963 32.897,964 540.16,965 44.5,970 11.486,974 -0.361,975 60.229,976 68.228,977 0.227,978 0.558,979 0.755,980 0.859,981 0.906,982 0.917,983 5.064,984 1.58,985 5.969,986 4.576,987 4.595,988 5.081,989 1.876,990 6.783,991 4.561,992 6.245,993 1.56,994 7.527,995 3.822,996 4.111,997 4.832,998 0.325,999 7.698,1000 4.072,1001 7.542,1002 1.26,1003 9.187,1004 3.615,1005 6.188,1006 7.255,1007 1.919,1008 10.805,1009 6.13,1010 8.875,1011 1.182,1012 10.91,1013 2.834,1014 6.553,1015 7.89,1016 0.268,1017 12.569,1018 6.497,1019 10.245,1020 1.032,1021 12.673,1022 2.795,1023 8.069,1024 9.779,1025 2.039,1026 15.182,1027 7.998,1028 11.64,1029 1,1030 14.463,1031 2.406,1032 8.832,1033 10.839,1034 0.188,1035 17.289,1036 8.765,1037 13.056,1038 0.779,1039 16.272,1040 2.275,1041 10.113,1042 12.498,1043 2.2,1044 19.737,1045 10.034,1046 3.126,1047 0.547,1048 18.096,1049 1.849,1050 11.066,1051 13.768,1052 0.125,1053 21.989,1054 10.99,1055 3.077,1056 10.829,1057 19.931,1058 1.317,1059 12.249,1060 15.324,1061 2.388,1062 24.38,1063 12.164,1064 2.656,1065 10.291,1066 21.775,1067 4.447,1068 13.292,1069 16.698,1070 0.082,1071 26.694,1072 13.207,1073 2.593,1074 8.14,1075 23.626,1076 4.006,1077 14.436,1078 18.209,1079 2.597,1080 29.066,1081 14.345,1082 2.298,1083 7.854,1084 25.482,1085 3.265,1086 15.522,1087 19.634,1088 0.054,1089 31.408,1090 15.429,1091 1.988,1092 6.865,1093 27.344,1094 3.071,1095 16.652,1096 21.125,1097 2.824,1098 33.775,1099 16.554,1100 1.618,1101 6,1102 29.209,1103 2.524,1104 17.758,1105 22.577,1106 0.035,1107 36.129,1108 17.658,1109 13913,1110 20700,1111 24.156,1112 40.58,1113 52.861,1114 53.39,1115 53.7,1116 52.618,1117 52.592,1118 66.37,1119 5.861,1120 150.937,1121 51.642,1122 5.533,1123 5.522,1124 6.378,1125 5.209,1126 5.126,1127 7.447,1128 2.302,1129 17.979,1130 5.123,1131 10.985,1132 1.51,1133 1.525,1134 1.534,1135 1.503,1136 1.503,1137 1.896,1138 0.167,1139 4.312,1140 1.475,1141 4.114,1142 4.139,1143 4.061,1144 4.073,1145 7.437,1146 4.067,1147 4.011,1148 4.033,1149 3.956,1150 3.943,1151 4.914,1152 3.943,1153 3.817,1154 3.877,1155 3.702,1156 3.682,1157 4.889,1158 3.678,1159 3.586,1160 3.624,1161 3.495,1162 3.434,1163 4.746,1164 3.437,1165 3.465,1166 3.514,1167 3.358,1168 3.353,1169 4.395,1170 3.349,1171 3.37,1172 3.436,1173 3.213,1174 3.231,1175 4.361,1176 3.217,1177 3.225,1178 3.29,1179 3.099,1180 3.017,1181 4.26,1182 3.024,1183 3.111,1184 3.206,1185 2.965,1186 2.941,1187 3.89,1188 2.94,1189 0.13,1190 0.101,1191 0.191,1192 0.118,1193 0.089,1194 4.533,1195 0.127,1196 3.522,1197 0.033,1198 6.689,1199 0.309,1200 4.125,1201 0.089,1202 3.126,1203 4.447,1204 1.151,1205 10.829,1206 3.123,1207 2.095,1208 2.075,1209 2.187,1210 2.154,1211 1.481,1212 2.167,1213 1.985,1214 1.965,1215 2.093,1216 2.083,1217 1.353,1218 2.087,1219 1.806,1220 1.749,1221 1.999,1222 1.97,1223 1.234,1224 1.983,1225 1.551,1226 1.509,1227 1.762,1228 1.74,1229 1.068,1230 1.74,1231 1.462,1232 1.419,1233 1.666,1234 1.623,1235 0.86,1236 1.642,1237 1.386,1238 1.322,1239 1.64,1240 1.553,1241 0.825,1242 1.587,1243 1.153,1244 1.098,1245 1.513,1246 1.437,1247 0.718,1248 1.429,1249 1.153,1250 1.064,1251 1.375,1252 1.376,1253 0.583,1254 1.427,1255 4.263,1257 5.587,1259 7.124,1261 8.754,1263 10.433,1269 5.445,1271 8.274,1273 6.092,1275 0.752,1276 2.58,1280 37.848,1281 82.186,1282 202.013,1283 273.271,1284 310.755,1285 327.775,1286 331.775,1287 46.899,1288 8.379,1289 55.56,1290 55.56,1291 30,1292 12.706,1293 4.248,1294 3.392,1295 43.989,1296 150,1297 127,1298 0.143,1299 228.031,1300 396.98,1301 548.156,1302 61841,1304 21.209,1305 0.684,1306 0.578,1307 21.209,1308 17.926,1309 15.187,1310 0.434,1311 0.327,1312 11.34,1313 14.837,1314 11.112,1315 9.105,1316 15.187,1317 11.431,1318 13.593,1319 0.277,1320 0.181,1321 13.593,1322 8.86,1323 11.853,1324 0.177,1325 0.105,1326 11.853,1327 7.023,1328 10.025,1329 0.114,1330 0.06,1331 10.025,1332 5.303,1333 8.585,1334 0.074,1335 0.035,1336 8.585,1337 4.031,1338 0.231,1339 93.507,1340 0.203,1341 29.559,1342 0.373,1343 168,1344 386.428,1345 176.866,1346 378.845,1347 527,1348 358,1349 200,1350 387.14,1351 208.646,1352 395.968,1353 583.49,1354 376,1355 7.854} {0 CHEMBL79725,1 1.539,2 13.133,3 3.252,4 10.577,5 115.48,6 7.277,7 0.471,8 4.133,9 4.254,10 3.684,11 3.686,12 5.18,13 3.663,14 4.718,15 4.884,16 4.075,17 4.134,18 5.761,19 4.087,20 5.012,21 5.222,22 4.098,23 4.293,24 5.972,25 4.2,26 5.079,27 5.312,28 4.036,29 4.286,30 5.997,31 4.163,32 5.092,33 5.358,34 3.916,35 4.205,36 5.915,37 4.062,38 5.002,39 5.276,40 3.793,41 4.077,42 5.801,43 3.941,44 4.882,45 5.137,46 3.743,47 3.993,48 5.819,49 3.869,50 4.804,51 5.063,52 3.589,53 3.917,54 5.709,55 3.772,56 0.033,57 0.882,58 11.903,59 5.377,60 9.166,61 6.964,62 0.212,63 1.475,64 23.302,65 9.494,66 31.896,67 12.507,68 0.312,69 1.85,70 33.365,71 13.096,72 47.77,73 17.439,74 0.408,75 1.906,76 36.403,77 13.855,78 54.074,79 19.243,80 0.34,81 1.857,82 38.163,83 13.839,84 49.329,85 19.675,86 0.394,87 1.622,88 35.652,89 12.148,90 56.171,91 17.392,92 0.522,93 1.499,94 31.351,95 10.716,96 63.158,97 14.952,98 0.402,99 1.462,100 29.112,101 10.617,102 56.968,103 14.403,104 11,105 49,106 0.252,107 0.613,108 0.813,109 0.892,110 0.904,111 0.904,112 3.44,113 0.937,114 -4.12,115 -4.07,116 -3.85,119 42.9,121 3,122 1,125 4,127 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 12,172 7,173 1,174 1,176 4,178 15,180 1,182 5,186 4,189 12,191 2,192 1,193 6,197 4,199 9,201 2,203 6,206 1,208 2,211 4,213 2,215 7,222 3,225 1,226 3,228 1,229 1,231 2,233 6,235 1,237 1,244 11,248 1,249 1,251 1,252 2,254 1,256 8,259 1404,260 20.463,261 20.463,262 20.463,263 20.463,264 20.463,265 18.462,266 23.425,267 11.839,268 20.797,269 16.791,270 16.791,271 16.791,272 16.791,273 16.791,274 13.677,275 25.641,276 5.616,277 17.341,278 4.268,279 2.061,280 0.84,281 0.357,282 0.286,283 0.286,284 4.151,288 1,289 1,290 879,291 3.162,294 138.158,295 235.114,298 120.26,299 132.441,302 1.876,303 30.272,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 394,316 4.582,317 3.522,318 6.717,319 4.162,320 3.176,321 4.515,322 1.151,323 10.937,324 3.133,325 4.384,326 3.371,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.933,335 3.327,336 5.904,337 3.666,338 2.699,339 3.265,340 0.8,341 8.203,342 2.637,343 3.857,344 2.961,345 5.842,346 3.619,347 2.629,348 3.211,350 8.126,351 2.57,352 3.553,353 2.738,354 5.312,355 3.243,356 2.301,357 2.725,359 6.731,360 2.157,361 3.251,362 2.476,363 5.141,364 3,365 2.033,366 2.425,368 6.024,369 1.954,370 3.139,371 2.239,372 4.918,373 2.841,374 1.894,375 2.265,377 5.568,378 1.779,379 2.921,380 1.978,381 4.466,382 2.532,383 1.57,384 2.064,386 4.222,387 1.505,388 2.879,389 1.792,390 4.189,391 2.475,392 1.502,393 1.965,395 3.818,396 1.456,397 2.611,398 1.52,399 3.98,400 2.191,401 1.192,402 1.588,404 3.119,405 1.181,406 2.463,407 1.289,408 3.782,409 2.145,410 1.181,411 1.452,413 2.826,414 1.127,415 2.203,416 1.107,417 3.438,418 1.949,419 0.976,420 1.16,422 2.343,423 0.944,424 2.015,425 0.844,426 3.287,427 1.707,428 0.735,429 0.866,431 1.757,432 0.712,433 1.704,434 0.668,435 3.206,436 1.494,437 0.531,438 0.639,440 1.321,441 0.509,442 1.532,443 0.613,444 3.084,445 1.415,446 0.451,447 0.486,449 1.102,450 0.432,451 14.152,452 0.472,453 0.763,454 0.025,455 35,456 1.167,457 15.5,458 0.517,459 19.5,460 0.65,461 28.203,462 0.94,463 32.648,464 0.583,465 25.474,466 0.849,467 6.745,468 0.225,469 7.836,470 0.261,471 0.072,473 0.382,477 1,479 0.706,480 1.082,481 0.788,482 1.025,483 0.588,484 0.933,485 0.849,486 0.986,487 0.907,488 0.991,489 0.487,490 0.962,491 0.963,492 1.011,493 1.042,494 1.073,495 0.772,496 1.075,497 0.718,498 0.979,499 1.025,500 1.131,501 0.66,502 1.139,503 0.696,504 0.978,505 0.953,506 1.077,507 0.585,508 1.065,509 0.853,510 0.849,511 0.947,512 0.934,513 0.685,514 0.951,515 0.935,516 0.869,517 1.042,518 0.938,519 0.877,520 0.993,521 1.046,522 0.996,523 1.111,524 1.064,525 1.132,526 1.098,527 6,528 0.139,529 3.778,530 1.979,531 1.735,532 0.834,533 0.568,534 0.323,535 0.254,536 0.211,537 13592,538 35518,539 2.165,540 46.4,542 15,543 1,545 3,547 5,548 2,550 1.723,551 2.045,552 3.646,553 0.834,554 1,555 1,559 86.206,560 1.539,561 3.746,562 4.968,563 5.45,564 5.522,565 5.522,566 3.077,567 4.574,568 4.88,569 3.822,570 1662.47,571 8.482,572 23638.1,574 1,576 1,577 325.212,578 1.347,579 4.848,580 0.176,581 0.005,582 0.077,583 0.041,584 0.04,585 0.023,586 0.017,587 0.01,588 0.01,589 0.008,590 0.408,591 0.33,592 0.88,593 0.659,594 156.199,595 -0.047,596 -0.005,597 0.047,598 0.039,599 -0.037,600 0.06,601 -0.04,602 0.02,603 -0.013,604 0.033,605 0.092,606 0.02,607 -0.098,608 -0.045,609 -0.106,610 -0.058,611 -0.014,612 -0.079,613 0.034,614 -0.084,615 -0.086,616 -0.136,617 0.006,618 -0.138,619 0.016,620 -0.121,621 0.008,622 -0.107,623 0.016,624 -0.063,625 -0.046,626 -0.035,627 0.037,628 0.014,629 -0.041,630 0.038,631 0.016,632 0.021,633 -0.051,634 0.016,635 -0.01,636 -0.02,637 -0.039,638 0.018,639 -0.112,640 -0.069,641 -0.096,642 -0.099,643 2.052,644 5.466,645 0.8,646 29.32,647 1.001,648 1.129,649 2.893,650 8.37,651 0.661,652 3.555,653 3.912,654 4.22,655 4.511,656 4.727,657 4.852,658 4.99,659 5.069,660 5.142,661 5.193,662 7.531,663 0.629,664 407.53,665 3.555,666 5.118,667 5.989,668 6.882,669 7.769,670 8.665,671 9.557,672 10.454,673 11.348,674 12.246,675 5.4,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,713 1,714 56,716 17,717 2,718 34,720 60,721 24,722 14,723 6,724 6,725 1,730 5,731 7,740 3,741 1,743 4,745 15,746 9,747 1,750 1,755 1,759 1,761 1,762 1,764 26,765 5,766 3,767 6,773 3,777 0.6,778 2,788 1,789 1,792 2,793 3,796 1,797 1,815 1,818 1,819 3,825 1,827 30,828 1,833 7,835 1,837 2,838 1,846 1,847 3.6,850 1,851 1,854 14.667,855 9.76,856 6.417,857 3.509,858 3.201,859 1.383,860 1.029,861 5.256,862 11.564,863 3.784,864 4.391,865 4.99,866 5.575,867 6.071,868 6.374,869 6.696,870 6.897,871 6.857,872 6.969,873 0.889,874 48,875 11.169,877 4.936,878 7.75,879 21.7,881 18.947,883 2.25,884 67.5,887 1,888 270.735,889 115.703,890 52.807,892 36.145,893 14.96,895 115.703,896 306.88,897 67.767,899 51.41,900 65.905,901 40.849,902 44.346,903 28.875,904 258.964,906 270.735,907 168.51,908 51.105,911 203.298,912 107.543,913 11,915 71.32,916 97.19,919 285.695,920 88.952,921 115.703,924 270.735,925 49.798,926 69.029,927 16.786,928 84.002,929 270.735,930 103.912,931 115.703,933 0.591,934 0.348,935 0.19,936 0.103,937 26,938 11,939 0.083,940 5,941 2,942 1.167,943 4.254,944 274.543,945 0.167,946 24,947 147.207,951 19.591,952 8.049,953 3.876,954 1.99,955 87.126,956 12.729,958 3.216,961 3.995,963 49.683,964 490.35,965 43,970 11.458,974 -0.385,975 56.076,976 63.236,977 0.265,978 0.645,979 0.855,980 0.939,981 0.951,982 0.951,983 5.05,984 1.57,985 5.984,986 5.568,987 4.595,988 5.078,989 1.876,990 6.817,991 4.538,992 6.25,993 1.502,994 7.555,995 4.222,996 4.205,997 4.934,998 0.325,999 7.745,1000 4.131,1001 7.562,1002 1.192,1003 9.224,1004 3.818,1005 6.213,1006 7.28,1007 1.919,1008 10.85,1009 6.117,1010 8.909,1011 1.181,1012 10.951,1013 3.119,1014 6.648,1015 7.998,1016 0.268,1017 12.617,1018 6.546,1019 10.291,1020 0.976,1021 12.715,1022 2.826,1023 8.117,1024 9.831,1025 2.039,1026 15.232,1027 7.997,1028 11.696,1029 0.735,1030 14.505,1031 2.343,1032 8.925,1033 10.949,1034 0.188,1035 17.343,1036 8.801,1037 13.12,1038 0.531,1039 16.314,1040 1.757,1041 10.184,1042 12.579,1043 2.2,1044 19.796,1045 10.044,1046 3.176,1047 0.451,1048 18.137,1049 1.321,1050 11.166,1051 13.89,1052 0.125,1053 22.053,1054 11.02,1055 3.077,1056 10.937,1057 19.972,1058 1.102,1059 12.342,1060 15.436,1061 2.388,1062 24.45,1063 12.182,1064 2.699,1065 10.291,1066 21.816,1067 4.515,1068 13.404,1069 16.84,1070 0.082,1071 26.77,1072 13.236,1073 2.629,1074 8.203,1075 23.667,1076 4.006,1077 14.55,1078 18.351,1079 2.597,1080 29.149,1081 14.369,1082 2.301,1083 8.126,1084 25.524,1085 3.265,1086 15.65,1087 19.802,1088 0.054,1089 31.498,1090 15.459,1091 2.033,1092 6.731,1093 27.387,1094 3.211,1095 16.786,1096 21.301,1097 2.824,1098 33.872,1099 16.583,1100 1.894,1101 6.024,1102 29.254,1103 2.725,1104 17.905,1105 22.774,1106 0.035,1107 36.235,1108 17.69,1109 12522,1110 20348,1111 23.175,1112 37,1113 52.116,1114 52.711,1115 53.12,1116 51.973,1117 51.892,1118 65.268,1119 5.861,1120 152.773,1121 50.266,1122 5.561,1123 5.522,1124 6.254,1125 5.247,1126 5.176,1127 7.515,1128 2.302,1129 18.135,1130 5.133,1131 13.138,1132 1.533,1133 1.55,1134 1.562,1135 1.529,1136 1.526,1137 1.92,1138 0.172,1139 4.493,1140 1.478,1141 4.149,1142 4.183,1143 4.106,1144 4.062,1145 8.201,1146 4.068,1147 4.013,1148 4.036,1149 3.958,1150 3.942,1151 7.437,1152 3.943,1153 3.812,1154 3.873,1155 3.706,1156 3.664,1157 4.933,1158 3.665,1159 3.576,1160 3.613,1161 3.49,1162 3.412,1163 4.901,1164 3.42,1165 3.424,1166 3.481,1167 3.345,1168 3.262,1169 4.747,1170 3.269,1171 3.332,1172 3.405,1173 3.169,1174 3.176,1175 4.392,1176 3.167,1177 3.222,1178 3.286,1179 3.099,1180 2.98,1181 4.301,1182 3.001,1183 2.972,1184 3.039,1185 2.856,1186 2.82,1187 4.149,1188 2.818,1189 0.135,1190 0.104,1191 0.198,1192 0.122,1193 0.093,1194 4.582,1195 0.133,1196 3.522,1197 0.034,1198 6.717,1199 0.322,1200 4.162,1201 0.092,1202 3.176,1203 4.515,1204 1.151,1205 10.937,1206 3.133,1207 1.985,1208 1.965,1209 2.092,1210 2.082,1211 1.362,1212 2.085,1213 1.936,1214 1.916,1215 2.017,1216 2.019,1217 1.306,1218 2.017,1219 1.678,1220 1.629,1221 1.855,1222 1.85,1223 1.154,1224 1.854,1225 1.629,1226 1.569,1227 1.849,1228 1.823,1229 1.07,1230 1.836,1231 1.452,1232 1.401,1233 1.674,1234 1.691,1235 0.894,1236 1.68,1237 1.323,1238 1.25,1239 1.59,1240 1.541,1241 0.851,1242 1.559,1243 1.234,1244 1.161,1245 1.481,1246 1.459,1247 0.574,1248 1.481,1249 1.107,1250 1.046,1251 1.349,1252 1.42,1253 0.411,1254 1.412,1255 4.234,1257 5.58,1258 3.045,1259 7.112,1260 5.352,1261 8.732,1262 7.413,1263 10.4,1267 13.466,1269 5.42,1271 6.551,1273 6.049,1275 0.521,1276 2.489,1280 35.199,1281 86.206,1282 209.786,1283 278.192,1284 305.212,1285 309.212,1286 309.212,1287 51.448,1288 8.363,1289 71.35,1290 71.35,1291 28,1292 12.77,1293 4.17,1294 3.322,1295 41.899,1296 139,1297 126,1298 0.148,1299 210.174,1300 364.79,1301 504.585,1302 59061,1303 1.8,1304 20.665,1305 0.689,1306 0.562,1307 19.794,1308 16.865,1309 14.581,1310 0.429,1311 0.312,1312 10.48,1313 14.05,1314 10.306,1315 8.401,1316 14.187,1317 10.614,1318 13.532,1319 0.276,1320 0.171,1321 12.898,1322 8.396,1323 11.637,1324 0.174,1325 0.098,1326 11.302,1327 6.56,1328 9.935,1329 0.11,1330 0.055,1331 9.675,1332 4.977,1333 7.955,1334 0.071,1335 0.031,1336 7.708,1337 3.454,1338 0.238,1339 91.19,1340 0.208,1341 28.655,1342 0.39,1343 166,1344 476.872,1345 180.417,1346 435.012,1347 589.87,1348 408,1349 199,1350 426.445,1351 212.721,1352 426.883,1353 630.08,1354 404,1355 7.398} {0 CHEMBL79853,1 1.607,2 13.903,3 3.315,4 10.988,5 117.165,6 7.664,7 0.457,8 4.127,9 4.235,10 3.722,11 3.674,12 5.237,13 3.664,14 4.692,15 4.848,16 4.101,17 4.095,18 5.793,19 4.069,20 4.966,21 5.159,22 4.153,23 4.252,24 5.997,25 4.19,26 5.046,27 5.263,28 4.071,29 4.239,30 6.05,31 4.142,32 5.036,33 5.29,34 3.933,35 4.147,36 5.924,37 4.028,38 4.927,39 5.173,40 3.82,41 4.035,42 5.794,43 3.922,44 4.832,45 5.076,46 3.768,47 3.963,48 5.814,49 3.854,50 4.777,51 5.031,52 3.582,53 3.882,54 5.688,55 3.751,56 0.108,57 0.855,58 10.808,59 5.259,60 13.071,61 6.436,62 0.277,63 1.414,64 21.452,65 9.026,66 33.625,67 11.319,68 0.427,69 1.77,70 30.698,71 12.165,72 52.564,73 15.463,74 0.619,75 1.812,76 34.523,77 12.906,78 68.303,79 17.276,80 0.56,81 1.726,82 36.262,83 12.937,84 63.766,85 18,86 0.532,87 1.497,88 32.447,89 11.318,90 56.624,91 15.587,92 0.561,93 1.43,94 29.206,95 10.158,96 65.231,97 13.977,98 0.457,99 1.403,100 28.265,101 10.118,102 61.193,103 13.497,104 11,105 50,106 0.263,107 0.644,108 0.829,109 0.899,110 0.899,111 0.899,112 3.471,113 0.908,114 -4.09,115 -4.03,116 -3.82,119 43.6,121 3,125 4,127 1,134 1,135 1,140 6,141 4,142 1,144 1,150 1,156 1,161 1,162 1,163 1,164 1,169 11,172 11,173 1,174 1,176 1,178 14,180 1,182 11,186 2,189 11,191 2,192 1,193 9,197 2,199 10,201 2,202 1,203 6,208 2,211 6,213 2,214 1,215 6,222 2,225 1,226 6,228 1,229 1,231 1,233 6,235 1,237 1,244 9,248 2,249 2,251 1,252 1,256 8,259 1562,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.924,266 21.562,267 12.284,268 21.489,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 13.798,275 22.352,276 5.816,277 17.794,278 4.174,279 1.85,280 0.718,281 0.291,282 0.291,283 0.291,284 4.183,288 1,289 1,290 960,291 3.162,294 70.422,295 346.178,298 131.719,299 142.42,302 2.054,303 34.623,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68,315 431,316 4.604,317 3.522,318 6.712,319 4.154,320 3.165,321 4.54,322 1.151,323 10.913,324 3.127,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.962,335 3.247,336 5.903,337 3.65,338 2.662,339 3.386,340 0.916,341 8.14,342 2.635,343 3.93,344 2.962,345 5.786,346 3.591,347 2.613,348 3.265,349 0.172,350 7.935,351 2.546,352 3.57,353 2.765,354 5.339,355 3.299,356 2.362,357 2.87,359 6.896,360 2.206,361 3.352,362 2.481,363 5.137,364 3.016,365 2.056,366 2.461,368 6.012,369 1.961,370 3.154,371 2.351,372 4.96,373 2.918,374 1.959,375 2.288,377 5.723,378 1.863,379 3.013,380 1.979,381 4.514,382 2.538,383 1.57,384 2.179,386 4.337,387 1.53,388 2.881,389 1.792,390 4.189,391 2.519,392 1.529,393 1.968,395 3.822,396 1.495,397 2.677,398 1.578,399 4.026,400 2.196,401 1.222,402 1.711,404 3.236,405 1.185,406 2.595,407 1.422,408 3.783,409 2.164,410 1.182,411 1.564,413 2.831,414 1.145,415 2.217,416 1.332,417 3.446,418 1.984,419 1.011,420 1.182,422 2.388,423 0.983,424 2.104,425 1.16,426 3.414,427 1.981,428 1,429 1.043,431 2.275,432 0.974,433 2.022,434 0.781,435 3.229,436 1.622,437 0.637,438 0.855,440 1.517,441 0.625,442 1.659,443 0.645,444 3.135,445 1.484,446 0.509,447 0.588,449 1.243,450 0.494,451 14.486,452 0.467,453 0.763,454 0.025,455 37.25,456 1.202,457 17,458 0.548,459 20.25,460 0.653,461 28.006,462 0.903,463 33.514,464 0.609,465 27.987,466 0.903,467 7.423,468 0.239,469 7.658,470 0.247,471 0.07,473 0.373,477 1,479 0.646,480 1.041,481 0.727,482 1.024,483 0.579,484 0.917,485 0.842,486 0.998,487 0.85,488 0.998,489 0.507,490 0.936,491 0.983,492 1.022,493 0.999,494 1.05,495 0.807,496 1.034,497 0.772,498 0.997,499 1.057,500 1.135,501 0.694,502 1.155,503 0.704,504 0.841,505 0.926,506 1.005,507 0.548,508 1.017,509 0.835,510 0.866,511 0.99,512 0.989,513 0.643,514 1.023,515 0.775,516 0.887,517 1.008,518 0.978,519 0.765,520 1.028,521 1,522 1.019,523 1.121,524 1.045,525 1.053,526 1.098,527 6,528 0.16,529 4,530 1.882,531 1.747,532 0.99,533 0.573,534 0.393,535 0.199,536 0.234,537 15284,538 43305,539 2.16,540 43.6,542 16,545 2,547 4,548 2,550 1.73,551 2.044,552 3.716,553 0.193,555 1,559 88.387,560 1.607,561 3.931,562 5.063,563 5.49,564 5.49,565 5.49,566 3.183,567 4.696,568 4.927,569 3.907,570 1816.95,571 8.566,572 26872.9,574 1,576 1,577 317.975,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.04,585 0.026,586 0.017,587 0.012,588 0.008,589 0.01,590 0.407,591 0.33,592 0.88,593 0.646,594 164.046,595 0.028,596 0.009,597 0.056,598 0.024,599 -0.02,600 0.042,601 -0.041,602 -0.008,603 0.015,604 0.014,605 0.088,606 0.027,607 -0.106,608 -0.051,609 -0.074,610 -0.042,611 -0.02,612 -0.048,613 0.034,614 -0.097,615 -0.113,616 -0.153,617 0.013,618 -0.164,619 0.036,620 -0.027,621 0.055,622 -0.034,623 0.038,624 0.001,625 -0.036,626 -0.083,627 -0.007,628 -0.027,629 -0.036,630 -0.018,631 0.033,632 -0.03,633 -0.03,634 -0.02,635 0.02,636 -0.034,637 -0.103,638 -0.046,639 -0.117,640 -0.058,641 -0.113,642 -0.084,643 2.063,644 5.386,645 0.806,646 32.489,647 1.009,648 1.128,649 2.858,650 8.166,651 0.667,652 3.584,653 3.932,654 4.234,655 4.511,656 4.762,657 4.86,658 4.997,659 5.069,660 5.142,661 5.204,662 7.976,663 0.643,664 421.51,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.67,671 9.557,672 10.45,673 11.34,674 12.233,675 5.5,678 1,682 1,685 1,687 2,688 6,689 1,691 1,693 5,695 16,701 1,713 1,714 55,716 18,717 2,718 35,720 59,721 24,722 13,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 16,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 24,765 7,766 2,767 7,772 1,773 3,777 0.6,778 3,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 5.5,850 1,851 1,852 1,854 15.167,855 9.793,856 6.667,857 3.426,858 3.567,859 1.425,860 1.021,861 5.512,862 11.969,863 3.829,864 4.44,865 5.043,866 5.633,867 6.152,868 6.465,869 6.811,870 7.046,871 7.076,872 7.271,873 1,874 51,875 11.512,877 5.062,878 7.817,879 22.088,881 18.905,883 2.317,884 71.833,886 1,887 1,888 258.964,889 121.581,890 55.618,892 45.879,893 14.96,895 121.581,896 304.843,897 70.578,899 51.41,900 66.334,901 60.446,902 40.051,903 19.796,904 258.964,906 258.964,907 177.199,908 60.839,911 203.298,912 105.506,913 11,915 57.291,916 90.835,917 29.073,919 273.924,920 101.497,921 121.581,924 258.964,925 55.247,926 69.458,928 113.333,929 258.964,930 116.457,931 121.581,933 0.589,934 0.347,935 0.187,936 0.105,937 26,938 11,939 0.085,940 5,941 2,942 1.16,943 4.358,944 283.876,945 0.16,946 25,947 153.58,951 20.228,952 8.447,953 4.102,954 1.328,955 116.457,956 10.199,957 4.168,959 5.303,961 3.352,963 32.897,964 497.002,965 45,970 11.451,972 2.18,974 0.742,975 55.52,976 62.03,977 0.278,978 0.68,979 0.876,980 0.95,981 0.95,982 0.95,983 5.088,984 1.57,985 5.999,986 5.723,987 4.615,988 5.127,989 1.956,990 6.823,991 4.563,992 6.293,993 1.529,994 7.566,995 4.337,996 4.205,997 4.977,998 0.325,999 7.745,1000 4.131,1001 7.608,1002 1.222,1003 9.231,1004 3.822,1005 6.225,1006 7.339,1007 1.989,1008 10.843,1009 6.137,1010 8.957,1011 1.182,1012 10.954,1013 3.236,1014 6.635,1015 8.048,1016 0.393,1017 12.605,1018 6.537,1019 10.34,1020 1.011,1021 12.715,1022 2.831,1023 8.118,1024 9.89,1025 2.094,1026 15.217,1027 8.006,1028 11.747,1029 1,1030 14.503,1031 2.388,1032 8.906,1033 11.004,1034 0.384,1035 17.326,1036 8.79,1037 13.173,1038 0.637,1039 16.31,1040 2.275,1041 10.173,1042 12.637,1043 2.241,1044 19.777,1045 10.043,1046 3.165,1047 0.509,1048 18.131,1049 1.517,1050 11.142,1051 13.948,1052 0.351,1053 22.033,1054 11.007,1055 3.077,1056 10.913,1057 19.964,1058 1.243,1059 12.321,1060 15.495,1061 2.418,1062 24.429,1063 12.174,1064 2.662,1065 10.291,1066 21.807,1067 4.54,1068 13.376,1069 16.902,1070 0.312,1071 26.749,1072 13.221,1073 2.613,1074 8.14,1075 23.657,1076 4.006,1077 14.522,1078 18.416,1079 2.619,1080 29.126,1081 14.355,1082 2.362,1083 7.935,1084 25.514,1085 3.386,1086 15.617,1087 19.87,1088 0.273,1089 31.475,1090 15.442,1091 2.056,1092 6.896,1093 27.375,1094 3.265,1095 16.752,1096 21.373,1097 2.839,1098 33.848,1099 16.566,1100 1.959,1101 6.012,1102 29.242,1103 2.87,1104 17.868,1105 22.851,1106 0.236,1107 36.209,1108 17.672,1109 14064,1110 23841,1111 23.868,1112 36.693,1113 53.678,1114 54.242,1115 54.493,1116 53.215,1117 53.107,1118 67.815,1119 6.439,1120 155.118,1121 51.608,1122 5.569,1123 5.522,1124 6.249,1125 5.238,1126 5.165,1127 7.54,1128 2.302,1129 18.066,1130 5.127,1131 13.5,1132 1.534,1133 1.55,1134 1.557,1135 1.52,1136 1.517,1137 1.938,1138 0.184,1139 4.432,1140 1.475,1141 4.111,1142 4.128,1143 4.083,1144 4.004,1145 8.201,1146 4.018,1147 4.012,1148 4.032,1149 3.958,1150 3.938,1151 7.437,1152 3.94,1153 3.813,1154 3.867,1155 3.718,1156 3.681,1157 5.253,1158 3.682,1159 3.581,1160 3.617,1161 3.497,1162 3.421,1163 4.905,1164 3.429,1165 3.414,1166 3.473,1167 3.329,1168 3.249,1169 4.748,1170 3.248,1171 3.285,1172 3.333,1173 3.173,1174 3.087,1175 4.435,1176 3.104,1177 3.221,1178 3.283,1179 3.099,1180 2.975,1181 4.376,1182 2.999,1183 3.037,1184 3.128,1185 2.87,1186 2.871,1187 4.309,1188 2.846,1189 0.132,1190 0.101,1191 0.192,1192 0.119,1193 0.09,1194 4.604,1195 0.13,1196 3.522,1197 0.033,1198 6.712,1199 0.312,1200 4.154,1201 0.089,1202 3.165,1203 4.54,1204 1.151,1205 10.913,1206 3.127,1207 1.987,1208 1.966,1209 2.097,1210 2.089,1211 1.38,1212 2.093,1213 1.942,1214 1.923,1215 2.04,1216 2.032,1217 1.297,1218 2.036,1219 1.797,1220 1.753,1221 1.941,1222 1.954,1223 1.111,1224 1.949,1225 1.543,1226 1.503,1227 1.745,1228 1.74,1229 1.027,1230 1.734,1231 1.402,1232 1.342,1233 1.66,1234 1.614,1235 0.859,1236 1.627,1237 1.191,1238 1.142,1239 1.435,1240 1.456,1241 0.692,1242 1.434,1243 1.117,1244 1.062,1245 1.371,1246 1.429,1247 0.533,1248 1.396,1249 1.065,1250 0.984,1251 1.298,1252 1.295,1253 0.356,1254 1.341,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.433,1267 13.386,1269 5.412,1271 5.867,1273 6.022,1275 0.033,1276 2.39,1280 35.387,1281 88.387,1282 216.21,1283 278.465,1284 301.975,1285 301.975,1286 301.975,1287 54.683,1288 8.402,1289 81.59,1290 81.59,1291 29,1292 12.76,1293 4.248,1294 3.459,1295 44.035,1296 152,1297 137,1298 0.141,1299 211.243,1300 370.94,1301 507.193,1302 62537,1303 1.8,1304 21.372,1305 0.689,1306 0.553,1307 20.501,1308 17.143,1309 15.081,1310 0.431,1311 0.303,1312 10.436,1313 14.425,1314 10.274,1315 8.376,1316 14.687,1317 10.592,1318 13.874,1319 0.277,1320 0.163,1321 13.24,1322 8.128,1323 11.947,1324 0.176,1325 0.091,1326 11.611,1327 6.204,1328 10.075,1329 0.112,1330 0.05,1331 9.816,1332 4.502,1333 8.384,1334 0.072,1335 0.028,1336 8.137,1337 3.281,1338 0.229,1339 95.098,1340 0.205,1341 29.624,1342 0.367,1343 170,1344 541.92,1345 187.96,1346 491.167,1347 665.16,1348 460,1349 203,1350 488.496,1351 220.874,1352 482.873,1353 709.89,1354 456,1355 7.201} {0 CHEMBL80189,1 1.407,2 9.261,3 2.725,4 7.426,5 91.822,6 7.272,7 0.769,8 3.849,9 3.985,10 3.421,11 3.387,12 4.908,13 3.369,14 4.376,15 4.575,16 3.772,17 3.791,18 5.346,19 3.754,20 4.54,21 4.744,22 3.759,23 3.906,24 5.482,25 3.822,26 4.668,27 4.931,28 3.654,29 3.897,30 5.502,31 3.777,32 4.563,33 4.834,34 3.555,35 3.776,36 5.386,37 3.658,38 4.387,39 4.608,40 3.542,41 3.718,42 5.299,43 3.627,44 4.455,45 4.708,46 3.416,47 3.668,48 5.329,49 3.541,50 4.342,51 4.631,52 3.131,53 3.458,54 5.126,55 3.306,56 0.031,57 0.677,58 8.83,59 3.409,60 8.246,61 4.842,62 0.201,63 1.085,64 16.598,65 5.501,66 14.929,67 8.027,68 0.141,69 1.221,70 19.528,71 7.34,72 19.123,73 10.6,74 0.183,75 1.271,76 24.04,77 8.525,78 24.677,79 12.669,80 0.223,81 1.14,82 21.896,83 7.675,84 22.185,85 11.399,86 0.121,87 1.021,88 17.133,89 6.211,90 16.201,91 9.079,92 0.228,93 1.047,94 19.204,95 6.675,96 21.483,97 9.841,98 0.155,99 0.873,100 17.955,101 5.991,102 19.764,103 9.087,104 8,105 37,106 0.243,107 0.633,108 0.788,109 0.844,110 0.844,111 0.844,112 3.189,113 0.895,114 -3.64,115 -3.61,116 -3.44,119 42.9,121 1,124 2,125 1,140 5,141 2,142 1,143 1,144 1,149 1,150 1,158 1,159 1,169 5,171 2,172 5,176 3,178 4,181 1,182 6,186 3,189 4,193 7,199 2,203 6,206 2,211 3,215 3,222 4,225 1,226 3,229 2,233 3,242 1,244 2,248 2,254 1,256 1,259 674,260 15.792,261 15.792,262 15.792,263 15.792,264 15.792,265 13.569,266 13.066,267 9.29,268 16.18,269 12.857,270 12.857,271 12.857,272 12.857,273 12.857,274 9.483,275 11.296,276 4.421,277 13.484,278 3.985,279 1.734,280 0.836,281 0.512,282 0.512,283 0.512,284 3.89,287 1,288 1,289 1,290 470,291 2.915,294 89.637,295 105.88,298 163.686,302 1.425,303 9.49,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 48.5,315 213,316 4.635,317 3.268,318 6.728,319 4.152,320 3.196,321 4.59,322 0.8,323 10.974,324 3.081,325 4.488,326 3.091,327 6.521,328 3.986,329 3.022,330 4.431,332 10.259,333 2.887,334 3.789,335 2.593,336 5.711,337 3.361,338 2.395,339 3.282,341 7.615,342 2.315,343 3.406,344 2.45,345 5.142,346 3.151,347 2.224,348 2.722,350 6.059,351 2.068,352 3.148,353 2.082,354 4.627,355 2.871,356 1.907,357 2.331,359 5.024,360 1.827,361 3.054,362 1.554,363 4.6,364 2.518,365 1.554,366 2.303,368 4.499,369 1.497,370 3.035,371 1.535,372 4.163,373 2.463,374 1.535,375 2.182,377 3.635,378 1.421,379 2.715,380 1.297,381 4,382 2.233,383 1.254,384 1.812,386 3.302,387 1.226,388 2.548,389 1.083,390 3.567,391 2.015,392 1.064,393 1.571,395 2.597,396 1.009,397 2.207,398 0.878,399 3.285,400 1.764,401 0.812,402 1.095,404 1.869,405 0.771,406 1.965,407 0.555,408 3.09,409 1.459,410 0.518,411 0.729,413 1.22,414 0.486,415 1.568,416 0.386,417 2.877,418 1.296,419 0.334,420 0.413,422 0.793,423 0.321,424 0.893,425 -0.314,426 2.532,427 0.468,428 -0.486,429 -0.628,431 -1.236,432 -0.46,433 0.668,434 -0.6,435 2.162,436 0.169,437 -0.806,438 -1,440 -1.994,441 -0.772,442 0.626,443 -0.646,444 2,445 0.133,446 -0.838,447 -1.042,449 -2,450 -0.817,451 11,452 0.478,453 0.538,454 0.023,455 32,456 1.391,457 16,458 0.696,459 16,460 0.696,461 16.101,462 0.7,463 23.8,464 0.567,465 21.212,466 0.922,467 6.392,468 0.278,469 4.829,470 0.21,471 0.091,473 0.345,479 0.996,480 1.495,481 0.793,482 1.107,483 0.849,484 0.958,485 1.289,486 0.911,487 0.869,488 0.743,489 0.858,490 0.754,491 0.941,492 1.208,493 1.031,494 1.16,495 0.849,496 1.116,497 0.921,498 0.988,499 0.924,500 0.96,501 0.872,502 0.946,503 0.832,504 0.85,505 0.87,506 0.873,507 0.875,508 0.876,509 1.048,510 1.146,511 1.026,512 1.085,513 0.956,514 1.058,515 0.955,516 0.982,517 1.114,518 1.098,519 1.043,520 1.12,521 1.016,522 0.975,523 0.99,524 0.972,525 1.154,526 0.977,527 4,528 0.094,529 2.889,530 1.424,531 0.921,532 0.583,533 0.52,534 0.281,535 0.151,536 0.092,537 5724,538 12810,539 2.168,540 45.2,542 13,543 1,544 2,545 1,547 2,550 1.658,551 2.06,552 3.203,553 -0.326,554 1,555 1,557 1,559 59.098,560 1.407,561 3.658,562 4.556,563 4.88,564 4.88,565 4.88,566 2.703,567 4.263,568 4.493,569 3.335,570 843.732,571 7.744,572 9377.66,573 1,574 1,576 1,577 226.477,578 1.302,579 4.469,580 0.154,581 0.01,582 0.078,583 0.041,584 0.03,585 0.021,586 0.019,587 0.012,588 0.009,589 0.008,590 0.381,591 0.5,592 1,593 1.093,594 106.626,595 0.001,596 -0.322,597 0.082,598 -0.112,599 0.014,600 -0.024,601 -0.052,602 0.22,603 0.077,604 0.202,605 0.056,606 0.163,607 -0.024,608 -0.161,609 -0.107,610 -0.166,611 0.055,612 -0.15,613 -0.035,614 -0.044,615 0.054,616 0.032,617 0.054,618 0.05,619 0.102,620 0.091,621 0.12,622 0.111,623 0.082,624 0.116,625 -0.112,626 -0.124,627 -0.084,628 -0.096,629 -0.065,630 -0.089,631 0.074,632 0.004,633 -0.138,634 -0.135,635 -0.059,636 -0.157,637 -0.058,638 -0.069,639 0.02,640 -0.001,641 -0.078,642 0.015,643 0.78,644 1.453,645 0.783,646 17.762,647 0.993,648 1.129,649 2.411,650 5.814,651 0.675,652 3.296,653 3.638,654 3.951,655 4.263,656 4.477,657 4.605,658 4.787,659 4.963,660 4.977,661 5.075,662 5.507,663 0.638,664 305.42,665 3.296,666 4.844,667 5.714,668 6.608,669 7.499,670 8.401,671 9.302,672 10.207,673 11.112,674 12.02,675 11.9,678 1,683 2,685 2,687 4,688 8,689 2,690 1,693 2,694 1,695 20,714 42,716 20,717 1,718 26,720 45,721 18,722 14,723 3,724 3,730 4,731 6,743 1,745 14,746 4,760 1,761 1,764 19,765 3,766 1,767 5,770 1,773 5,777 0.5,786 1,788 1,792 2,793 2,796 2,815 1,819 2,823 2,827 23,833 2,838 1,854 11.167,855 8.217,856 4.972,857 2.442,858 4.074,859 1.543,860 1.041,861 3.543,862 11.575,863 3.611,864 4.297,865 5.002,866 5.691,867 6.237,868 6.679,869 7.214,870 7.74,871 8.037,872 8.496,873 1,874 35,875 8.456,877 3.56,878 7.478,879 16.553,881 13.706,883 1.978,884 45.5,887 1,888 211.88,889 110.047,890 55.38,895 110.047,896 211.88,897 55.38,898 16.793,899 4.64,900 56.429,901 67.447,902 41.516,903 13.915,904 176.567,906 211.88,907 165.427,911 188.338,912 23.542,915 47.975,916 83.881,917 33.571,919 211.88,920 55.38,921 110.047,924 211.88,925 19.159,926 95.911,927 16.786,928 33.571,929 211.88,930 55.38,931 110.047,933 0.583,934 0.336,935 0.188,936 0.103,937 20,938 8,939 0.089,940 4,941 2,942 1.222,943 3.573,944 192.264,945 0.222,946 18,947 102.042,951 14.279,952 5.707,953 2.594,954 4.23,955 36.695,956 16.088,957 8.884,958 3.363,961 2.428,962 2.039,963 16.786,964 377.306,965 36,975 41.694,976 47.398,977 0.261,978 0.678,979 0.845,980 0.905,981 0.905,982 0.905,983 4.836,984 1.254,985 5.7,986 3.635,987 4.317,988 4.984,989 0.673,990 6.538,991 4.229,992 6.067,993 1.064,994 7.27,995 3.302,996 3.892,997 4.856,998 0.325,999 7.496,1000 3.757,1001 7.392,1002 0.812,1003 8.943,1004 2.597,1005 5.927,1006 7.327,1007 0.379,1008 10.623,1009 5.758,1010 8.761,1011 0.518,1012 10.679,1013 1.869,1014 6.365,1015 8.113,1016 0.268,1017 12.45,1018 6.149,1019 10.168,1020 0.334,1021 12.456,1022 1.22,1023 7.852,1024 10.01,1025 0.239,1026 15.082,1027 7.606,1028 11.602,1029 -0.486,1030 14.262,1031 0.793,1032 8.682,1033 11.206,1034 0.188,1035 17.24,1036 8.391,1037 13.057,1038 -0.806,1039 16.089,1040 -1.236,1041 9.955,1042 12.874,1043 0.156,1044 19.707,1045 9.633,1046 3.196,1047 -0.838,1048 17.931,1049 -1.994,1050 10.962,1051 14.251,1052 0.125,1053 21.995,1054 10.597,1055 3.022,1056 10.974,1057 19.784,1058 -2,1059 12.152,1060 15.824,1061 0.102,1062 24.403,1063 11.754,1064 2.395,1065 10.259,1066 21.646,1067 4.59,1068 13.237,1069 17.278,1070 0.082,1071 26.743,1072 12.797,1073 2.224,1074 7.615,1075 23.514,1076 4.431,1077 14.396,1078 18.814,1079 0.066,1080 29.131,1081 13.921,1082 1.907,1083 6.059,1084 25.388,1085 3.282,1086 15.514,1087 20.3,1088 0.054,1089 31.492,1090 15,1091 1.554,1092 5.024,1093 27.265,1094 2.722,1095 16.663,1096 21.821,1097 0.043,1098 33.873,1099 16.113,1100 1.535,1101 4.499,1102 29.146,1103 2.331,1104 17.797,1105 23.321,1106 0.035,1107 36.244,1108 17.208,1109 5431,1110 8268,1111 17.8,1112 28.358,1113 39.886,1114 39.441,1115 40.316,1116 39.648,1117 39.631,1118 54.921,1119 1.6,1120 115.691,1121 37.818,1122 5.467,1123 5.268,1124 6.409,1125 5.213,1126 5.196,1127 7.59,1128 1.2,1129 18.153,1130 5.081,1131 8.843,1132 1.534,1133 1.517,1134 1.551,1135 1.525,1136 1.524,1137 2.112,1138 0.062,1139 4.45,1140 1.455,1141 4.181,1142 4.221,1143 4.148,1144 4.077,1145 5.13,1146 4.088,1147 4.014,1148 4.059,1149 3.98,1150 3.877,1151 4.93,1152 3.898,1153 3.656,1154 3.74,1155 3.517,1156 3.475,1157 4.444,1158 3.475,1159 3.464,1160 3.525,1161 3.372,1162 3.292,1163 4.322,1164 3.303,1165 3.257,1166 3.327,1167 3.141,1168 3.102,1169 4.218,1170 3.104,1171 3.097,1172 3.19,1173 2.93,1174 2.886,1175 3.879,1176 2.885,1177 2.874,1178 3.009,1179 2.708,1180 2.728,1181 3.78,1182 2.708,1183 2.862,1184 2.934,1185 2.656,1186 2.618,1187 3.506,1188 2.571,1189 0.178,1190 0.126,1191 0.259,1192 0.16,1193 0.123,1194 4.635,1195 0.177,1196 3.268,1197 0.031,1198 6.728,1199 0.422,1200 4.152,1201 0.119,1202 3.196,1203 4.59,1204 0.8,1205 10.974,1206 3.081,1207 1.972,1208 1.946,1209 2.048,1210 2.077,1211 1.263,1212 2.068,1213 1.821,1214 1.786,1215 1.924,1216 1.945,1217 1.101,1218 1.942,1219 1.687,1220 1.622,1221 1.89,1222 1.899,1223 0.957,1224 1.903,1225 1.452,1226 1.369,1227 1.692,1228 1.701,1229 0.785,1230 1.698,1231 1.355,1232 1.288,1233 1.491,1234 1.595,1235 0.549,1236 1.574,1237 1.067,1238 0.978,1239 1.417,1240 1.325,1241 0.469,1242 1.35,1243 0.944,1244 0.884,1245 1.359,1246 1.239,1247 0.468,1248 1.308,1249 0.934,1250 0.804,1251 1.129,1252 1.121,1253 0.183,1254 1.128,1255 3.97,1257 5.303,1258 3.045,1259 6.828,1260 5.416,1261 8.443,1262 7.526,1263 10.109,1265 4.202,1271 2.062,1276 2.204,1280 26.795,1281 59.098,1282 153.648,1283 191.358,1284 204.968,1285 204.968,1286 204.968,1287 23.466,1288 7.502,1289 49.74,1290 49.74,1291 22,1292 12.537,1293 4.392,1294 3.459,1295 31.829,1296 76,1297 76,1298 0.211,1299 164.411,1300 260.8,1301 392.924,1302 17911,1304 15.811,1305 0.687,1306 0.579,1307 15.811,1308 13.322,1309 11.22,1310 0.432,1311 0.298,1312 7.64,1313 10.81,1314 7.391,1315 6.181,1316 11.22,1317 7.754,1318 10.255,1319 0.277,1320 0.164,1321 10.255,1322 6.058,1323 8.711,1324 0.171,1325 0.082,1326 8.711,1327 4.164,1328 7.539,1329 0.108,1330 0.042,1331 7.539,1332 2.906,1333 6.129,1334 0.07,1335 0.023,1336 6.129,1337 1.988,1338 0.324,1339 70.003,1340 0.237,1341 22.343,1342 0.595,1343 126,1344 310.913,1345 135.436,1346 310.97,1347 443.58,1348 294,1349 151,1350 344.183,1351 162.213,1352 354.651,1353 519.83,1354 332,1355 7.959} {0 CHEMBL81191,1 1.357,2 13.355,3 3.935,4 15.487,5 126.001,6 6.993,7 0.486,8 4.163,9 4.281,10 3.69,11 3.767,12 5.179,13 3.724,14 4.729,15 4.894,16 4.05,17 4.193,18 5.717,19 4.125,20 5.023,21 5.226,22 4.133,23 4.383,24 5.923,25 4.279,26 5.105,27 5.328,28 4.044,29 4.392,30 5.968,31 4.252,32 5.143,33 5.405,34 3.948,35 4.33,36 5.906,37 4.168,38 5.074,39 5.342,40 3.84,41 4.194,42 5.852,43 4.039,44 4.945,45 5.208,46 3.73,47 4.074,48 5.811,49 3.922,50 4.822,51 5.095,52 3.506,53 3.974,54 5.564,55 3.794,56 0.052,57 0.796,58 12.796,59 5.755,60 9.257,61 7.675,62 0.223,63 1.354,64 24.074,65 9.965,66 29.312,67 13.415,68 0.252,69 1.751,70 33.354,71 13.838,72 35.951,73 18.777,74 0.293,75 1.88,76 36.664,77 15.298,78 40.136,79 21.082,80 0.241,81 1.925,82 39.133,83 15.934,84 36.148,85 22.462,86 0.318,87 1.795,88 37.288,89 13.976,90 42.407,91 19.713,92 0.472,93 1.583,94 32.967,95 11.985,96 53.375,97 16.922,98 0.228,99 1.389,100 28.762,101 11.311,102 31.375,103 16.025,104 6,105 49,106 0.219,107 0.561,108 0.761,109 0.863,110 0.894,111 0.905,112 3.472,113 0.954,114 -5,115 -4.9,116 -4.6,119 45.8,121 3,125 4,127 1,134 1,135 1,140 10,141 6,156 1,161 1,162 1,163 1,169 21,172 7,173 1,174 1,176 1,178 28,180 1,182 5,186 2,189 26,191 2,192 1,193 6,197 2,199 21,201 2,203 7,208 2,211 11,213 2,215 8,222 5,225 1,226 6,228 1,229 1,231 1,233 7,235 1,237 2,244 12,248 1,249 2,251 1,252 1,256 12,259 1542,260 21.43,261 21.43,262 21.43,263 21.43,264 21.43,265 19.078,266 19.934,267 12.634,268 21.655,269 17.291,270 17.291,271 17.291,272 17.291,273 17.291,274 13.719,275 21.69,276 5.962,277 17.64,278 4.525,279 2.405,280 1.165,281 0.534,282 0.339,283 0.271,284 4.187,288 1,289 1,290 924,291 3.082,295 419.446,299 280.619,302 2.021,303 21.254,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 65,315 414,316 4.561,317 3.522,318 6.689,319 4.125,320 3.126,321 4.474,322 1.151,323 10.829,324 3.123,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.94,335 3.204,336 5.903,337 3.648,338 2.656,339 3.345,340 0.916,341 8.14,342 2.634,343 3.923,344 2.881,345 5.772,346 3.569,347 2.593,348 3.265,349 0.172,350 7.854,351 2.536,352 3.453,353 2.515,354 5.335,355 3.259,356 2.298,357 2.57,359 6.865,360 2.193,361 3.182,362 2.439,363 5.135,364 2.958,365 1.988,366 2.427,368 6,369 1.92,370 3.118,371 1.979,372 4.618,373 2.618,374 1.618,375 2.298,377 4.576,378 1.618,379 3.013,380 1.792,381 4.189,382 2.57,383 1.58,384 2.117,386 3.822,387 1.564,388 2.88,389 1.704,390 4.036,391 2.522,392 1.56,393 1.963,395 3.615,396 1.491,397 2.758,398 1.618,399 3.783,400 2.26,401 1.26,402 1.881,404 2.834,405 1.26,406 2.6,407 1.412,408 3.584,409 2.181,410 1.182,411 1.569,413 2.795,414 1.165,415 2.263,416 1.264,417 3.449,418 2.002,419 1.032,420 1.199,422 2.406,423 0.994,424 2.209,425 1.175,426 3.414,427 1.984,428 1,429 1.109,431 2.275,432 0.983,433 2.06,434 0.855,435 3.285,436 1.775,437 0.779,438 1.026,440 1.849,441 0.775,442 1.667,443 0.705,444 3.129,445 1.519,446 0.547,447 0.604,449 1.317,450 0.529,451 14.967,452 0.483,453 0.657,454 0.021,455 38.25,456 1.234,457 19,458 0.613,459 19.25,460 0.621,461 27.867,462 0.899,463 32.433,464 0.55,465 27.853,466 0.898,467 7.512,468 0.242,469 7.675,470 0.248,471 0.049,473 0.327,479 0.792,480 1.091,481 0.841,482 0.988,483 0.704,484 0.924,485 1.061,486 0.973,487 0.978,488 0.953,489 0.55,490 0.952,491 1.073,492 0.987,493 1.026,494 1.003,495 0.779,496 1.01,497 0.854,498 1.116,499 1.109,500 1.159,501 0.798,502 1.164,503 0.696,504 1.095,505 0.958,506 1.082,507 0.633,508 1.055,509 1.088,510 1.051,511 1.013,512 1,513 0.887,514 0.998,515 1.095,516 0.955,517 1.071,518 0.946,519 1.008,520 0.991,521 0.849,522 0.977,523 1.041,524 1.009,525 0.819,526 1.038,527 5,528 0.145,529 3.778,530 1.688,531 1.604,532 0.875,533 0.545,534 0.337,535 0.188,536 0.204,537 15161,538 34337,539 2.18,540 47.5,542 20,545 2,547 4,548 2,550 1.73,551 2.09,552 3.661,553 0.097,555 1,559 80.088,560 1.357,561 3.478,562 4.718,563 5.349,564 5.544,565 5.611,566 3.127,567 4.696,568 4.929,569 3.87,570 1799.48,571 8.572,572 26539.3,574 1,577 347.076,578 1.215,579 4.907,580 0.143,581 0.006,582 0.077,583 0.032,584 0.036,585 0.022,586 0.016,587 0.011,588 0.008,589 0.009,590 0.358,591 0.33,592 0.88,593 0.575,594 163.666,595 -0.02,596 0.022,597 0.056,598 0.039,599 -0.054,600 0.054,601 -0.025,602 0.099,603 -0.032,604 0.045,605 0.104,606 0.014,607 -0.099,608 0.019,609 -0.067,610 -0.001,611 0.002,612 -0.026,613 -0.008,614 -0.136,615 -0.153,616 -0.159,617 -0.028,618 -0.17,619 0.037,620 -0.146,621 0.013,622 -0.091,623 0.003,624 -0.051,625 -0.046,626 -0.079,627 -0.006,628 -0.039,629 -0.062,630 -0.023,631 0.085,632 0.037,633 -0.053,634 0.005,635 0.028,636 -0.031,637 -0.054,638 -0.021,639 -0.058,640 -0.031,641 -0.06,642 -0.042,643 2.034,644 4.481,645 0.839,646 31.669,647 0.989,648 1.115,649 3.772,650 14.23,651 0.675,652 3.584,653 3.912,654 4.22,655 4.489,656 4.762,657 4.812,658 4.956,659 5.03,660 5.147,661 5.153,662 7.846,663 0.633,664 412.57,665 3.584,666 5.13,667 5.994,668 6.874,669 7.752,670 8.636,671 9.519,672 10.404,673 11.288,674 12.174,675 3.4,678 1,682 1,687 2,688 10,693 4,695 17,701 1,714 59,716 19,717 3,718 35,720 63,721 27,722 16,723 6,724 10,725 3,730 5,731 7,740 3,743 4,745 19,746 8,750 2,755 1,757 1,759 2,761 1,764 28,765 4,766 2,767 4,773 2,777 0.6,778 2,793 5,797 2,810 1,811 1,815 1,818 1,819 3,827 31,828 1,833 7,835 1,837 1,838 1,847 3.4,850 1,851 1,854 14.833,855 10.367,856 6.75,857 3.71,858 3.837,859 1.458,860 1.027,861 5.692,862 12.216,863 3.839,864 4.431,865 5.035,866 5.615,867 6.183,868 6.418,869 6.784,870 7.029,871 7.324,872 7.268,873 0.889,874 52,875 11.503,877 4.956,878 7.554,879 22.676,881 19.461,883 2.054,884 63.667,887 1,888 306.049,889 148.53,890 36.022,892 36.145,895 148.53,896 342.193,897 36.022,899 51.41,900 104.239,901 40.849,902 24.198,904 306.049,906 306.049,907 184.552,908 36.145,911 235.422,912 95.772,913 11,915 54.535,916 120.541,917 9.476,919 306.049,920 72.166,921 148.53,924 306.049,925 44.292,926 107.363,928 69.042,929 306.049,930 72.166,931 148.53,933 0.582,934 0.347,935 0.19,936 0.107,937 25,938 10,939 0.079,940 5,941 2,942 1.154,943 4.361,944 283.832,945 0.154,946 26,947 151.58,951 20.142,952 8.76,953 4.198,954 2.642,955 72.166,956 20.998,961 4.36,963 32.897,964 526.745,965 45.5,970 11.481,972 2.389,974 1.083,975 58.345,976 65.813,977 0.231,978 0.591,979 0.802,980 0.909,981 0.942,982 0.954,983 5.083,984 1.58,985 5.969,986 4.576,987 4.595,988 5.118,989 1.956,990 6.783,991 4.561,992 6.275,993 1.56,994 7.527,995 3.822,996 4.111,997 4.879,998 0.325,999 7.698,1000 4.072,1001 7.579,1002 1.26,1003 9.187,1004 3.615,1005 6.188,1006 7.312,1007 1.989,1008 10.805,1009 6.13,1010 8.919,1011 1.182,1012 10.91,1013 2.834,1014 6.553,1015 7.949,1016 0.393,1017 12.569,1018 6.497,1019 10.294,1020 1.032,1021 12.673,1022 2.795,1023 8.069,1024 9.84,1025 2.094,1026 15.182,1027 7.998,1028 11.695,1029 1,1030 14.463,1031 2.406,1032 8.832,1033 10.902,1034 0.384,1035 17.289,1036 8.765,1037 13.115,1038 0.779,1039 16.272,1040 2.275,1041 10.113,1042 12.561,1043 2.241,1044 19.737,1045 10.034,1046 3.126,1047 0.547,1048 18.096,1049 1.849,1050 11.066,1051 13.834,1052 0.351,1053 21.989,1054 10.99,1055 3.077,1056 10.829,1057 19.931,1058 1.317,1059 12.249,1060 15.39,1061 2.418,1062 24.38,1063 12.164,1064 2.656,1065 10.291,1066 21.775,1067 4.474,1068 13.292,1069 16.768,1070 0.312,1071 26.694,1072 13.207,1073 2.593,1074 8.14,1075 23.626,1076 4.006,1077 14.436,1078 18.28,1079 2.619,1080 29.066,1081 14.345,1082 2.298,1083 7.854,1084 25.482,1085 3.345,1086 15.522,1087 19.71,1088 0.273,1089 31.408,1090 15.429,1091 1.988,1092 6.865,1093 27.344,1094 3.265,1095 16.652,1096 21.204,1097 2.839,1098 33.775,1099 16.554,1100 1.618,1101 6,1102 29.209,1103 2.57,1104 17.758,1105 22.662,1106 0.236,1107 36.129,1108 17.658,1109 13913,1110 21039,1111 24.156,1112 39.819,1113 53.023,1114 53.634,1115 53.7,1116 52.618,1117 52.592,1118 67.707,1119 6.439,1120 150.937,1121 51.642,1122 5.525,1123 5.522,1124 6.378,1125 5.209,1126 5.126,1127 7.474,1128 2.302,1129 17.979,1130 5.123,1131 10.985,1132 1.515,1133 1.532,1134 1.534,1135 1.503,1136 1.503,1137 1.934,1138 0.184,1139 4.312,1140 1.475,1141 4.113,1142 4.136,1143 4.065,1144 4.074,1145 7.437,1146 4.07,1147 4.011,1148 4.032,1149 3.956,1150 3.943,1151 4.919,1152 3.943,1153 3.815,1154 3.871,1155 3.717,1156 3.693,1157 4.894,1158 3.691,1159 3.583,1160 3.619,1161 3.497,1162 3.433,1163 4.747,1164 3.437,1165 3.461,1166 3.51,1167 3.354,1168 3.352,1169 4.46,1170 3.347,1171 3.365,1172 3.43,1173 3.215,1174 3.23,1175 4.382,1176 3.217,1177 3.225,1178 3.289,1179 3.099,1180 3.013,1181 4.286,1182 3.022,1183 3.077,1184 3.143,1185 2.957,1186 2.936,1187 3.928,1188 2.936,1189 0.13,1190 0.101,1191 0.191,1192 0.118,1193 0.089,1194 4.561,1195 0.128,1196 3.522,1197 0.033,1198 6.689,1199 0.309,1200 4.125,1201 0.089,1202 3.126,1203 4.474,1204 1.151,1205 10.829,1206 3.123,1207 2.093,1208 2.076,1209 2.176,1210 2.147,1211 1.396,1212 2.158,1213 1.985,1214 1.965,1215 2.093,1216 2.082,1217 1.34,1218 2.086,1219 1.8,1220 1.75,1221 1.976,1222 1.958,1223 1.216,1224 1.968,1225 1.547,1226 1.507,1227 1.749,1228 1.735,1229 1.039,1230 1.731,1231 1.46,1232 1.416,1233 1.665,1234 1.614,1235 0.859,1236 1.636,1237 1.382,1238 1.32,1239 1.638,1240 1.549,1241 0.706,1242 1.583,1243 1.147,1244 1.093,1245 1.433,1246 1.436,1247 0.686,1248 1.426,1249 1.091,1250 1.023,1251 1.365,1252 1.298,1253 0.508,1254 1.35,1255 4.263,1257 5.587,1259 7.124,1261 8.754,1263 10.433,1269 5.439,1271 6.603,1273 6.076,1275 0.092,1276 2.504,1280 37.321,1281 80.088,1282 205.2,1283 278.347,1284 315.566,1285 327.076,1286 331.076,1287 45.104,1288 8.379,1289 55.56,1290 55.56,1291 30,1292 12.706,1293 4.322,1294 3.524,1295 43.989,1296 150,1297 127,1298 0.143,1299 225.104,1300 394.34,1301 541.013,1302 61841,1304 21.209,1305 0.684,1306 0.572,1307 21.209,1308 17.719,1309 15.187,1310 0.434,1311 0.318,1312 11.035,1313 14.837,1314 10.801,1315 8.859,1316 15.187,1317 11.126,1318 13.593,1319 0.277,1320 0.173,1321 13.593,1322 8.483,1323 11.853,1324 0.177,1325 0.099,1326 11.853,1327 6.601,1328 10.025,1329 0.114,1330 0.056,1331 10.025,1332 4.894,1333 8.585,1334 0.074,1335 0.031,1336 8.585,1337 3.648,1338 0.231,1339 93.507,1340 0.203,1341 29.559,1342 0.373,1343 168,1344 398.428,1345 176.866,1346 391.577,1347 545.35,1348 370,1349 200,1350 401.14,1351 208.646,1352 411.097,1353 605.9,1354 390,1355 8.268} {0 CHEMBL81485,1 1.37,2 7.143,3 3.107,4 9.656,5 85.359,6 6.839,7 0.5,8 3.818,9 3.94,10 3.341,11 3.391,12 4.785,13 3.35,14 4.389,15 4.562,16 3.708,17 3.812,18 5.267,19 3.753,20 4.699,21 4.907,22 3.841,23 4.013,24 5.528,25 3.926,26 4.771,27 4.996,28 3.837,29 4.04,30 5.586,31 3.94,32 4.798,33 5.032,34 3.706,35 4.027,36 5.597,37 3.898,38 4.672,39 4.939,40 3.383,41 3.848,42 5.409,43 3.669,44 4.451,45 4.738,46 3.009,47 3.564,48 5.173,49 3.35,50 4.193,51 4.52,52 2.46,53 3.182,54 4.856,55 2.924,56 0.093,57 0.584,58 9.409,59 3.961,60 7.93,61 5.451,62 0.128,63 0.993,64 17.514,65 6.708,66 13.272,67 9.315,68 0.269,69 1.286,70 24.744,71 9.265,72 22.417,73 12.897,74 0.242,75 1.375,76 26.71,77 9.986,78 23.668,79 13.998,80 0.269,81 1.351,82 27.787,83 10.603,84 27.849,85 14.664,86 0.181,87 1.193,88 24.422,89 9.596,90 22.972,91 13.756,92 0.123,93 0.953,94 19.614,95 7.674,96 19.191,97 11.259,98 0.122,99 0.717,100 15.547,101 5.649,102 16.551,103 8.526,104 4,105 34,106 0.243,107 0.557,108 0.744,109 0.827,110 0.882,111 0.903,112 3.106,113 0.954,114 -4.58,115 -4.5,116 -4.24,119 43.9,121 2,124 1,125 1,127 2,140 8,141 3,142 1,164 1,169 12,172 5,178 15,182 8,184 1,186 1,189 14,193 8,195 1,199 14,203 4,208 1,211 12,215 1,220 4,222 8,231 5,233 3,242 2,259 439,260 14.801,261 14.801,262 14.801,263 14.801,264 14.801,265 13.347,266 19.485,267 8.907,268 15.013,269 11.879,270 11.879,271 11.879,272 11.879,273 11.879,274 9.75,275 27.232,276 4.183,277 12.198,278 3.988,279 2.215,280 1.159,281 0.689,282 0.378,283 0.262,284 3.811,287 1,288 1,289 1,290 333,291 2.345,294 24.702,295 65.006,296 32.492,299 49.01,300 111.153,302 1.02,303 9.985,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 44,315 150,316 4.493,317 4.439,318 6.905,319 4.257,320 3.287,321 4.018,322 2.43,323 11.639,324 3.19,325 4.088,326 3.207,327 6.25,328 3.698,329 2.707,330 3.698,331 0.68,332 9.271,333 2.681,334 3.744,335 2.874,336 5.817,337 3.574,338 2.604,339 2.859,340 0.442,341 8.116,342 2.518,343 3.15,344 2.442,345 5.162,346 3.022,347 2.068,348 2.213,349 0.4,350 6.258,351 1.964,352 2.969,353 2.197,354 4.587,355 2.536,356 1.546,357 2.162,359 4.297,360 1.533,361 2.93,362 1.636,363 4.183,364 2.534,365 1.536,366 2.099,368 3.539,369 1.529,370 2.752,371 1.477,372 3.716,373 2.304,374 1.305,375 1.861,377 2.958,378 1.304,379 2.47,380 1.382,381 3.606,382 2.126,383 1.165,384 1.462,386 2.73,387 1.118,388 1.997,389 1.331,390 3.554,391 1.851,392 0.917,393 0.983,395 2.163,396 0.853,397 1.936,398 1.053,399 3.124,400 1.766,401 0.784,402 0.881,404 1.666,405 0.767,406 1.376,407 0.392,408 2.895,409 1.115,410 0.121,411 0.146,413 0.308,414 0.12,415 0.926,416 0.034,417 2.647,418 0.633,419 -0.345,420 -0.408,422 -0.737,423 -0.335,424 0.649,425 -0.174,426 2.158,427 0.496,428 -0.441,429 -0.448,431 -0.893,432 -0.411,433 0.603,434 -0.419,435 2,436 0.151,437 -0.844,438 -1.138,440 -2.055,441 -0.838,442 0.507,443 -0.724,444 2,445 0.136,446 -0.852,447 -1.152,449 -2.066,450 -0.842,451 10.133,452 0.483,453 0.393,454 0.019,455 26,456 1.238,457 12.5,458 0.595,459 13.5,460 0.643,461 17.006,462 0.81,463 22.267,464 0.543,465 16.62,466 0.791,467 5.118,468 0.244,469 5.247,470 0.25,471 0.049,473 0.336,479 0.724,480 1.152,481 0.845,482 1.016,483 0.881,484 0.952,485 1.297,486 1.112,487 0.977,488 1.008,489 1.163,490 0.962,491 1.386,492 1.019,493 1.004,494 0.952,495 1.136,496 0.947,497 1.264,498 0.982,499 1.008,500 0.998,501 0.993,502 0.977,503 1.516,504 0.954,505 1.109,506 0.985,507 1.286,508 1.014,509 0.852,510 1.039,511 1.068,512 1.077,513 0.912,514 1.093,515 0.544,516 1.155,517 1.045,518 1.15,519 0.847,520 1.147,521 0.583,522 0.936,523 1.027,524 0.986,525 0.913,526 1.028,527 3,529 2,530 1.472,531 1.489,532 0.685,533 0.252,534 0.145,535 0.086,536 0.031,537 3911,538 7936,539 2.215,540 48.8,541 2,542 15,545 1,548 2,550 1.642,551 2.136,552 2.816,553 -0.385,555 1,557 1,559 56.162,560 1.37,561 3.143,562 4.199,563 4.668,564 4.979,565 5.095,566 2.226,567 3.63,568 4.361,569 2.913,570 611.746,571 7.527,572 6157.34,573 1,574 1,576 1,577 219.66,578 1.166,579 4.35,580 0.125,582 0.059,583 0.039,584 0.04,585 0.021,586 0.011,587 0.01,588 0.012,589 0.016,590 0.334,591 0.83,592 1,593 0.837,594 91.025,595 0.236,596 -0.001,597 0.089,598 0.022,599 0.041,600 0.036,601 -0.082,602 -0.012,603 -0.004,604 -0.017,605 -0.138,606 -0.001,607 -0.027,608 0.009,609 -0.01,610 0.027,611 -0.043,612 0.011,613 -0.028,614 0.039,615 -0.017,616 -0.029,617 0.049,618 -0.02,619 -0.181,620 0.008,621 -0.115,622 -0.003,623 -0.103,624 -0.047,625 -0.063,626 -0.098,627 -0.107,628 -0.096,629 -0.01,630 -0.106,631 0.013,632 -0.229,633 -0.095,634 -0.178,635 -0.013,636 -0.155,637 -0.021,638 -0.019,639 -0.056,640 -0.051,641 -0.065,642 -0.053,643 1.098,644 2.74,645 0.857,646 13.51,647 0.987,648 1.121,649 3.352,650 11.237,651 0.666,652 3.219,653 3.555,654 3.912,655 4.277,656 4.575,657 4.779,658 4.963,659 5.088,660 5.198,661 5.209,662 4.355,663 0.622,664 280.4,665 3.219,666 4.762,667 5.645,668 6.553,669 7.461,670 8.38,671 9.298,672 10.222,673 11.143,674 12.068,675 4.9,677 1,681 1,688 8,693 4,695 12,706 1,714 41,716 12,717 2,718 24,720 44,721 18,722 12,723 4,724 8,730 4,731 11,740 4,743 4,745 12,746 6,760 1,761 1,764 20,765 3,766 1,767 3,773 2,777 0.25,778 1,792 1,793 2,794 1,797 1,798 2,814 1,819 1,823 1,827 21,833 3,834 1,835 1,837 2,838 1,847 2.4,851 1,854 9.833,855 7.45,856 4.639,857 2.539,858 2.512,859 1.334,860 1.014,861 3.264,862 10.042,863 3.434,864 3.989,865 4.559,866 5.128,867 5.677,868 5.918,869 6.332,870 6.73,871 7.091,872 7.376,873 0.8,874 38,875 7.786,877 3.348,878 7.397,879 15.518,881 13.413,883 1.897,884 39.833,885 0.002,887 1,888 223.651,889 103.695,890 23.749,892 11.219,895 103.695,896 234.87,897 23.749,898 8.396,899 7.175,900 93.821,901 11.219,902 18.052,904 223.651,906 223.651,907 127.444,908 11.219,911 200.109,912 23.542,913 11.219,915 25.186,916 102.258,919 223.651,920 34.968,921 103.695,924 223.651,925 19.488,926 89.945,927 18.011,928 11.219,929 223.651,930 34.968,931 103.695,933 0.57,934 0.346,935 0.213,936 0.125,937 19,938 7,939 0.045,940 2,941 3,942 1.333,943 3.274,944 179.441,945 0.333,946 18,947 90.239,951 13.02,952 5.264,953 2.18,955 34.968,956 17.379,961 5.397,963 18.011,964 362.314,965 30,975 40.483,976 45.943,977 0.256,978 0.587,979 0.784,980 0.871,981 0.929,982 0.951,983 4.682,984 1.165,985 5.624,986 2.958,987 4.234,988 4.673,989 2.62,990 6.488,991 4.184,992 5.851,993 0.917,994 7.201,995 2.73,996 3.761,997 4.29,998 1.404,999 7.466,1000 3.675,1001 7.143,1002 0.784,1003 8.885,1004 2.163,1005 5.855,1006 6.766,1007 4.116,1008 10.647,1009 5.754,1010 8.472,1011 0.121,1012 10.635,1013 1.666,1014 6.275,1015 7.243,1016 3.415,1017 12.494,1018 6.132,1019 9.838,1020 -0.345,1021 12.427,1022 0.308,1023 7.794,1024 9.167,1025 5.8,1026 15.174,1027 7.638,1028 11.23,1029 -0.441,1030 14.248,1031 -0.737,1032 8.626,1033 10.058,1034 5.423,1035 17.364,1036 8.429,1037 12.641,1038 -0.844,1039 16.089,1040 -0.893,1041 9.92,1042 11.728,1043 7.512,1044 19.883,1045 9.705,1046 3.287,1047 -0.852,1048 17.945,1049 -2.055,1050 10.941,1051 12.833,1052 7.37,1053 22.219,1054 10.687,1055 2.707,1056 11.639,1057 19.813,1058 -2.066,1059 12.151,1060 14.372,1061 9.233,1062 24.685,1063 11.874,1064 2.604,1065 9.271,1066 21.69,1067 4.018,1068 13.257,1069 15.593,1070 9.273,1071 27.084,1072 12.945,1073 2.068,1074 8.116,1075 23.574,1076 3.698,1077 14.441,1078 17.061,1079 10.961,1080 29.535,1081 14.101,1082 1.546,1083 6.258,1084 25.464,1085 2.859,1086 15.587,1087 18.347,1088 11.144,1089 31.962,1090 15.214,1091 1.536,1092 4.297,1093 27.359,1094 2.213,1095 16.765,1096 19.775,1097 12.694,1098 34.411,1099 16.362,1100 1.305,1101 3.539,1102 29.259,1103 2.162,1104 17.93,1105 21.099,1106 12.994,1107 36.85,1108 17.494,1109 3728,1110 5386,1111 16.701,1112 27.319,1113 36.313,1114 37.801,1115 37.266,1116 36.118,1117 36.078,1118 44.763,1119 7.904,1120 105.891,1121 35.156,1122 5.432,1123 6.439,1124 6.672,1125 5.3,1126 5.287,1127 7.018,1128 4.661,1129 19.122,1130 5.19,1131 5.826,1132 1.513,1133 1.575,1134 1.553,1135 1.505,1136 1.503,1137 1.865,1138 0.329,1139 4.412,1140 1.465,1141 4.073,1142 4.102,1143 4.017,1144 3.997,1145 4.87,1146 3.997,1147 3.796,1148 3.826,1149 3.729,1150 3.746,1151 4.649,1152 3.739,1153 3.714,1154 3.768,1155 3.603,1156 3.542,1157 4.56,1158 3.548,1159 3.391,1160 3.486,1161 3.221,1162 3.148,1163 4.251,1164 3.151,1165 3.17,1166 3.232,1167 3.025,1168 3.065,1169 3.836,1170 3.048,1171 2.974,1172 3.062,1173 2.781,1174 2.805,1175 3.681,1176 2.787,1177 2.856,1178 2.917,1179 2.732,1180 2.727,1181 3.621,1182 2.718,1183 2.731,1184 2.815,1185 2.578,1186 2.604,1187 3.484,1188 2.59,1189 0.187,1190 0.185,1191 0.288,1192 0.177,1193 0.137,1194 4.493,1195 0.167,1196 4.439,1197 0.101,1198 6.905,1199 0.485,1200 4.257,1201 0.133,1202 3.287,1203 4.018,1204 2.43,1205 11.639,1206 3.19,1207 1.961,1208 1.937,1209 2.072,1210 2.029,1211 1.323,1212 2.045,1213 1.88,1214 1.852,1215 1.992,1216 1.973,1217 1.21,1218 1.98,1219 1.621,1220 1.559,1221 1.857,1222 1.849,1223 1.064,1224 1.855,1225 1.337,1226 1.258,1227 1.635,1228 1.561,1229 0.776,1230 1.592,1231 1.198,1232 1.141,1233 1.457,1234 1.424,1235 0.622,1236 1.41,1237 1.126,1238 1.05,1239 1.405,1240 1.352,1241 0.57,1242 1.391,1243 0.845,1244 0.783,1245 1.137,1246 1.047,1247 0.268,1248 1.084,1249 0.794,1250 0.729,1251 1.096,1252 0.978,1253 0.176,1254 1.023,1255 3.892,1257 5.22,1258 2.398,1259 6.756,1260 4.844,1261 8.388,1262 7.066,1263 10.072,1265 1.981,1271 2.906,1272 3.231,1273 6.24,1275 0.558,1276 2.142,1280 25.499,1281 56.162,1282 128.851,1283 172.15,1284 191.395,1285 204.15,1286 208.905,1287 23.823,1288 7.53,1289 24.5,1290 24.5,1291 24,1292 12.574,1293 3.7,1294 2.807,1295 27.664,1296 57,1297 65,1298 0.262,1299 153.879,1300 263.67,1301 367.226,1302 17945,1304 14.234,1305 0.678,1306 0.583,1307 14.234,1308 12.25,1309 10.365,1310 0.432,1311 0.318,1312 7.55,1313 10.073,1314 7.362,1315 6.08,1316 10.365,1317 7.629,1318 9.106,1319 0.268,1320 0.173,1321 9.106,1322 5.867,1323 8.099,1324 0.165,1325 0.092,1326 8.099,1327 4.488,1328 7.418,1329 0.104,1330 0.05,1331 7.418,1332 3.549,1333 6.346,1334 0.066,1335 0.027,1336 6.346,1337 2.609,1338 0.383,1339 64.145,1340 0.245,1341 19.95,1342 0.814,1343 116,1344 261.714,1345 124.01,1346 255.87,1347 367.74,1348 244,1349 141,1350 288.015,1351 150.757,1352 289.297,1353 429.24,1354 275,1355 6} {0 CHEMBL8165,1 1.473,2 6.143,3 1.534,4 2.354,5 56.836,6 6.795,7 0.667,8 3.427,9 3.562,10 2.911,11 2.928,12 4.505,13 2.901,14 3.925,15 4.11,16 3.196,17 3.295,18 4.897,19 3.239,20 4.07,21 4.287,22 3.175,23 3.369,24 4.985,25 3.275,26 4.081,27 4.309,28 3.02,29 3.314,30 4.967,31 3.185,32 4.054,33 4.335,34 2.809,35 3.104,36 4.915,37 2.942,38 3.824,39 4.101,40 2.422,41 2.807,42 4.669,43 2.647,44 3.546,45 3.833,46 1.92,47 2.471,48 4.429,49 2.252,50 3.279,51 3.652,52 1.16,53 1.973,54 3.882,55 1.665,56 0.037,57 0.403,58 6.502,59 2.468,60 7.302,61 3.477,62 0.108,63 0.606,64 11.272,65 4.11,66 12.916,67 5.784,68 0.104,69 0.675,70 13.106,71 4.867,72 14.213,73 6.999,74 0.092,75 0.67,76 13.272,77 4.833,78 13.708,79 7.099,80 0.17,81 0.589,82 13.411,83 4.511,84 18.097,85 6.807,86 0.148,87 0.445,88 10.864,89 3.208,90 16.141,91 4.879,92 0.153,93 0.326,94 8.217,95 2.406,96 16.421,97 3.742,98 0.09,99 0.206,100 6.465,101 1.878,102 10.707,103 2.991,104 10,105 20,106 0.29,107 0.684,108 0.836,109 0.869,110 0.869,111 0.869,112 2.734,113 0.938,114 -2.53,115 -2.55,116 -2.49,119 39.3,121 1,124 1,125 1,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 4,172 2,176 4,178 4,180 1,182 2,186 4,189 4,191 1,193 1,197 1,199 2,201 1,203 1,206 1,207 1,208 1,210 1,211 1,213 1,220 1,224 1,228 1,229 1,231 1,235 1,259 176,260 9.74,261 9.74,262 9.74,263 9.74,264 9.74,265 8.611,266 7.701,267 5.855,268 9.992,269 7.308,270 7.308,271 7.308,272 7.308,273 7.308,274 5.519,275 6.122,276 2.605,277 7.614,278 3.334,279 1.327,280 0.554,281 0.384,282 0.384,283 0.384,284 3.379,288 1,289 1,290 176,291 2.236,294 26.267,295 30.592,298 47.964,302 0.898,303 8.001,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 30,315 86,316 4.55,317 3.182,318 6.546,319 4.075,320 3.091,321 4.504,322 0.86,323 10.358,324 3.042,325 3.701,326 2.72,327 5.291,328 3.302,329 2.357,330 3.121,332 6.727,333 2.227,334 3.343,335 2.153,336 5.09,337 2.934,338 1.965,339 2.672,341 5.896,342 1.895,343 2.743,344 1.399,345 4.154,346 2.303,347 1.324,348 1.847,350 3.494,351 1.295,352 2.334,353 1.245,354 3.331,355 2.023,356 1.077,357 1.296,359 2.104,360 1.016,361 1.998,362 1.032,363 3.042,364 1.65,365 0.714,366 0.893,368 1.366,369 0.663,370 1.57,371 0.674,372 2.773,373 1.261,374 0.379,375 0.442,377 0.589,378 0.332,379 0.857,380 -0.05,381 2.213,382 0.574,383 -0.368,384 -0.424,386 -0.623,387 -0.345,388 0.662,389 -0.487,390 2,391 0.209,392 -0.756,393 -0.958,395 -1.577,396 -0.717,397 0.396,398 -0.889,399 1.832,400 0.035,401 -0.935,402 -1.314,404 -2.672,405 -0.91,406 -0.085,407 -1.145,408 1.487,409 -0.488,410 -1.436,411 -1.649,413 -3.622,414 -1.308,415 -0.301,416 -1.404,417 0.859,418 -0.697,419 -1.604,420 -2.053,422 -4.286,423 -1.497,424 -0.5,425 -1.731,426 0.697,427 -0.897,428 -1.877,429 -2.53,431 -5.073,432 -1.834,433 -0.554,434 -1.899,435 0.451,436 -0.987,437 -1.93,438 -2.845,440 -6.026,441 -1.86,442 -0.714,443 -2,444 0.234,445 -1,446 -2,447 -3,448 -0.86,449 -6.654,450 -2,451 6.633,452 0.474,453 0.239,454 0.017,455 17.25,456 1.232,457 8.5,458 0.607,459 8.75,460 0.625,461 8.752,462 0.625,463 15.567,464 0.556,465 9.862,466 0.704,467 3.6,468 0.257,469 3.247,470 0.232,471 0.136,473 0.302,479 1.071,480 1.186,481 0.916,482 1.05,483 1.211,484 0.961,485 1.296,486 0.99,487 0.946,488 0.903,489 1.043,490 0.886,491 0.953,492 1.051,493 0.951,494 1.023,495 0.857,496 0.994,497 0.85,498 1.248,499 1.124,500 1.266,501 0.833,502 1.235,503 0.6,504 1.027,505 0.929,506 1.109,507 0.745,508 1.07,509 1.509,510 1.007,511 1.186,512 0.985,513 1.361,514 1.04,515 1.161,516 1.031,517 1.324,518 1.147,519 1.132,520 1.243,521 0.963,522 0.599,523 0.768,524 0.603,525 0.945,526 0.661,527 2.5,529 1.556,530 0.854,531 0.653,532 0.368,533 0.157,534 0.059,537 1204,538 2994,539 2.034,540 50,542 8,543 1,545 3,547 2,550 1.512,551 1.909,552 2.665,553 1.314,557 1,559 41.249,560 1.473,561 3.48,562 4.253,563 4.423,564 4.423,565 4.423,566 2.156,567 3.664,568 3.774,569 2.697,570 245.393,571 6.308,572 1879.74,574 1,577 134.606,578 1.379,579 3.74,580 0.167,582 0.078,583 0.045,584 0.044,585 0.033,586 0.022,587 0.02,590 0.409,591 1,592 1,593 1.346,594 52.198,595 -0.104,596 0.051,597 0.024,598 0.038,599 -0.179,600 0.055,601 -0.164,602 0.101,603 0.018,604 0.143,605 -0.104,606 0.11,607 -0.077,608 -0.018,609 -0.011,610 0.009,611 -0.038,612 0.008,613 -0.073,614 -0.227,615 -0.197,616 -0.258,617 -0.111,618 -0.245,619 0.238,620 -0.109,621 0.028,622 -0.17,623 0.168,624 -0.112,625 -0.219,626 -0.115,627 -0.181,628 -0.089,629 -0.179,630 -0.127,631 0.014,632 -0.139,633 -0.333,634 -0.273,635 0.024,636 -0.342,637 -0.005,638 0.077,639 0.232,640 0.238,641 0.108,642 0.258,643 0.829,644 1.68,645 0.643,646 7.449,647 0.994,648 1.132,649 1.298,650 1.684,651 0.644,652 2.773,653 3.045,654 3.332,655 3.584,656 3.738,657 3.738,658 3.689,659 3.555,660 3.091,661 2.639,662 3.697,663 0.604,664 190.27,665 2.773,666 4.263,667 5.106,668 5.974,669 6.845,670 7.724,671 8.602,672 9.484,673 10.366,674 11.249,675 7.1,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 28,716 10,717 1,718 15,720 29,721 11,722 8,723 3,724 3,730 2,731 3,736 1,743 1,745 8,746 3,761 1,764 14,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 14,828 1,833 2,835 1,847 3.6,852 1,854 7.333,855 5.083,856 3.306,857 1.549,858 2.097,859 1.366,860 0.99,861 2.634,862 7.821,863 3.045,864 3.67,865 4.339,866 4.978,867 5.469,868 5.764,869 6.063,870 6.307,871 5.823,872 5.453,873 1,874 19,875 5.132,876 0.002,877 2.067,878 7.619,879 9.934,880 0.001,881 7.875,882 -0.001,883 2.119,884 29.667,885 0.007,888 129.482,889 66.146,890 49.683,892 11,895 66.146,896 140.482,897 49.683,898 10.883,899 37.537,900 37.476,902 38.787,903 13.915,904 117.711,906 129.482,907 115.828,908 11,911 105.94,912 34.542,915 54.323,916 61.505,919 129.482,920 60.683,921 66.146,924 129.482,925 17.786,926 48.359,927 16.786,928 43.897,929 129.482,930 60.683,931 66.146,933 0.555,934 0.34,935 0.194,936 0.108,937 10,938 4,939 0.103,940 3,941 1,942 1.222,943 2.626,944 87.279,945 0.222,946 9,947 53.303,951 9.401,952 3.922,953 1.733,954 2.337,955 43.897,956 8.021,958 3.213,961 2.136,963 49.683,964 256.31,965 20,975 27.833,976 31.697,977 0.306,978 0.724,979 0.885,980 0.92,981 0.92,982 0.92,983 4.227,984 -0.368,985 5.069,986 0.589,987 3.714,988 4.35,989 0.908,990 5.872,991 3.645,992 5.433,993 -0.756,994 6.619,995 -0.623,996 3.219,997 4.227,999 6.783,1000 3.144,1001 6.747,1002 -0.935,1003 8.273,1004 -1.577,1005 5.283,1006 6.672,1007 0.739,1008 9.876,1009 5.173,1010 8.111,1011 -1.436,1012 9.988,1013 -2.672,1014 5.673,1015 7.453,1017 11.645,1018 5.555,1019 9.511,1020 -1.604,1021 11.744,1022 -3.622,1023 7.166,1024 9.333,1025 0.593,1026 14.242,1027 7.028,1028 10.938,1029 -1.877,1030 13.528,1031 -4.286,1032 7.962,1033 10.517,1035 16.356,1036 7.816,1037 12.384,1038 -1.93,1039 15.331,1040 -5.073,1041 9.228,1042 12.175,1043 0.469,1044 18.788,1045 9.069,1046 3.091,1047 -2,1048 17.15,1049 -6.026,1050 10.21,1051 13.542,1053 21.039,1054 10.04,1055 2.357,1056 10.358,1057 18.981,1058 -6.654,1059 11.387,1060 15.109,1061 0.366,1062 23.412,1063 11.205,1064 1.965,1065 6.727,1066 20.822,1067 4.504,1068 12.451,1069 16.555,1071 25.716,1072 12.257,1073 1.324,1074 5.896,1075 22.67,1076 3.121,1077 13.595,1078 18.085,1079 0.283,1080 28.067,1081 13.389,1082 1.077,1083 3.494,1084 24.524,1085 2.672,1086 14.694,1087 19.565,1089 30.392,1090 14.475,1091 0.714,1092 2.104,1093 26.383,1094 1.847,1095 15.827,1096 21.08,1097 0.217,1098 32.734,1099 15.594,1100 0.379,1101 1.366,1102 28.246,1103 1.296,1104 16.942,1105 22.574,1107 35.067,1108 16.695,1109 1287,1110 2074,1111 9.94,1112 18.034,1113 21.811,1114 22.197,1115 23.122,1116 21.752,1117 21.813,1118 29.547,1119 1.72,1120 61.069,1121 20.941,1122 5.264,1123 5.182,1124 6.312,1125 5.075,1126 5.091,1127 7.504,1128 1.72,1129 17.013,1130 5.042,1131 6.102,1132 1.454,1133 1.48,1134 1.541,1135 1.45,1136 1.454,1137 1.97,1138 0.115,1139 4.071,1140 1.396,1141 4.128,1142 4.16,1143 4.086,1144 4.042,1145 5.038,1146 4.049,1147 3.57,1148 3.632,1149 3.455,1150 3.423,1151 4.962,1152 3.421,1153 3.393,1154 3.465,1155 3.242,1156 3.138,1157 4.62,1158 3.153,1159 3.12,1160 3.208,1161 2.91,1162 2.886,1163 4.046,1164 2.879,1165 2.917,1166 3.002,1167 2.756,1168 2.745,1169 3.764,1170 2.734,1171 2.639,1172 2.771,1173 2.369,1174 2.33,1175 3.422,1176 2.323,1177 2.369,1178 2.436,1179 2.204,1180 2.202,1181 3.115,1182 2.194,1183 2.091,1184 2.258,1185 1.747,1186 1.701,1187 2.778,1188 1.692,1189 0.303,1190 0.212,1191 0.436,1192 0.272,1193 0.206,1194 4.55,1195 0.3,1196 3.182,1197 0.057,1198 6.546,1199 0.691,1200 4.075,1201 0.203,1202 3.091,1203 4.504,1204 0.86,1205 10.358,1206 3.042,1207 1.935,1208 1.917,1209 2.02,1210 2.023,1211 1.224,1212 2.022,1213 1.649,1214 1.59,1215 1.852,1216 1.846,1217 1.015,1218 1.854,1219 1.301,1220 1.223,1221 1.582,1222 1.606,1223 0.582,1224 1.597,1225 1.186,1226 1.108,1227 1.51,1228 1.484,1229 0.551,1230 1.503,1231 0.917,1232 0.842,1233 1.177,1234 1.156,1235 0.238,1236 1.175,1237 0.731,1238 0.656,1239 1.065,1240 0.96,1241 0.113,1242 1.003,1243 0.503,1244 0.363,1245 0.894,1246 0.811,1248 0.847,1249 0.049,1251 0.685,1252 0.487,1254 0.568,1255 3.434,1257 4.71,1258 2.398,1259 6.201,1260 4.727,1261 7.793,1262 6.823,1263 9.44,1265 1.677,1269 5.536,1271 1.567,1273 5.18,1280 16.918,1281 41.249,1282 97.445,1283 119.096,1284 123.851,1285 123.851,1286 123.851,1287 14.07,1288 5.724,1289 51.04,1290 51.04,1291 11,1292 11.783,1293 3.459,1294 2.585,1295 21.245,1296 30,1297 33,1298 0.374,1299 107.375,1300 172.57,1301 253.754,1302 1646,1304 9.966,1305 0.712,1306 0.586,1307 9.966,1308 8.209,1309 6.847,1310 0.456,1311 0.313,1312 4.616,1313 6.576,1314 4.481,1315 3.757,1316 6.847,1317 4.69,1318 5.637,1319 0.282,1320 0.163,1321 5.637,1322 3.264,1323 4.907,1324 0.182,1325 0.088,1326 4.907,1327 2.388,1328 4.037,1329 0.115,1330 0.047,1331 4.037,1332 1.647,1333 3.129,1334 0.076,1335 0.026,1336 3.129,1337 1.05,1338 0.546,1339 43.004,1340 0.317,1341 13.964,1342 1.134,1343 70,1344 185.381,1345 75.293,1346 179.666,1347 249.48,1348 170,1349 82,1350 183.94,1351 87.156,1352 189.1,1353 273.83,1354 177,1355 8.328} {0 CHEMBL81703,1 1.59,2 13.903,3 4.094,4 16.762,5 125.052,6 7.796,7 0.457,8 4.128,9 4.235,10 3.778,11 3.754,12 5.186,13 3.705,14 4.698,15 4.852,16 4.162,17 4.186,18 5.761,19 4.114,20 4.974,21 5.166,22 4.21,23 4.343,24 5.964,25 4.238,26 5.052,27 5.265,28 4.166,29 4.35,30 5.98,31 4.206,32 5.072,33 5.328,34 3.99,35 4.26,36 5.883,37 4.088,38 4.966,39 5.221,40 3.865,41 4.103,42 5.805,43 3.957,44 4.834,45 5.075,46 3.796,47 4.004,48 5.8,49 3.877,50 4.79,51 5.045,52 3.622,53 3.95,54 5.669,55 3.785,56 0.022,57 0.839,58 11.412,59 5.656,60 8.743,61 6.869,62 0.204,63 1.429,64 23.591,65 10.108,66 30.694,67 12.249,68 0.29,69 1.824,70 32.876,71 13.661,72 45.224,73 16.756,74 0.329,75 1.938,76 37.75,77 15.34,78 46.479,79 19.221,80 0.25,81 1.88,82 41.91,83 16.077,84 43.677,85 20.861,86 0.367,87 1.692,88 38.505,89 13.373,90 51.366,91 17.238,92 0.449,93 1.48,94 29.558,95 11.01,96 58.153,97 14.528,98 0.307,99 1.495,100 30.827,101 11.63,102 50.685,103 14.73,104 11,105 50,106 0.259,107 0.632,108 0.832,109 0.901,110 0.901,111 0.901,112 3.471,113 0.993,114 -5.04,115 -4.94,116 -4.63,119 44.6,121 3,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 7,173 1,174 1,176 1,178 20,180 1,182 5,186 2,189 15,191 2,192 1,193 6,197 2,199 13,201 2,203 6,208 2,211 6,213 2,215 7,222 3,225 1,226 5,228 1,229 1,231 1,233 6,235 1,237 1,244 11,248 1,249 1,251 1,252 1,256 10,259 1562,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.924,266 21.562,267 12.284,268 21.632,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 13.798,275 22.352,276 5.816,277 18.025,278 4.218,279 1.931,280 0.706,281 0.286,282 0.286,283 0.286,284 4.183,288 1,289 1,290 960,291 3.162,294 70.422,295 346.178,298 131.719,299 142.42,302 2.054,303 29.646,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 66.5,315 431,316 4.604,317 3.522,318 6.712,319 4.136,320 3.165,321 4.54,322 1.151,323 10.913,324 3.076,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.962,335 3.247,336 5.903,337 3.648,338 2.662,339 3.386,340 0.916,341 8.14,342 2.634,343 3.93,344 2.962,345 5.786,346 3.58,347 2.613,348 3.265,349 0.172,350 7.935,351 2.506,352 3.57,353 2.765,354 5.339,355 3.3,356 2.362,357 2.87,359 6.896,360 2.207,361 3.352,362 2.481,363 5.137,364 3.007,365 2.056,366 2.461,368 6.012,369 1.952,370 3.154,371 2.351,372 4.96,373 2.905,374 1.959,375 2.288,377 5.723,378 1.832,379 3.013,380 1.979,381 4.514,382 2.531,383 1.57,384 2.179,386 4.337,387 1.501,388 2.881,389 1.792,390 4.189,391 2.464,392 1.529,393 1.968,395 3.822,396 1.409,397 2.677,398 1.578,399 4.026,400 2.19,401 1.222,402 1.711,404 3.236,405 1.175,406 2.595,407 1.422,408 3.783,409 2.15,410 1.182,411 1.564,413 2.831,414 1.12,415 2.217,416 1.332,417 3.446,418 1.984,419 1.011,420 1.182,422 2.388,423 0.983,424 2.104,425 1.16,426 3.414,427 1.976,428 1,429 1.043,431 2.275,432 0.967,433 2.022,434 0.781,435 3.229,436 1.565,437 0.637,438 0.855,440 1.517,441 0.579,442 1.659,443 0.645,444 3.135,445 1.432,446 0.509,447 0.588,449 1.243,450 0.463,451 15.086,452 0.487,453 0.763,454 0.025,455 36.5,456 1.177,457 17,458 0.548,459 19.5,460 0.629,461 29.835,462 0.962,463 32.914,464 0.588,465 26.158,466 0.844,467 6.985,468 0.225,469 8.095,470 0.261,471 0.068,473 0.358,477 1,479 0.664,480 0.965,481 0.734,482 0.898,483 0.585,484 0.878,485 0.855,486 0.891,487 0.893,488 0.9,489 0.494,490 0.903,491 1.007,492 0.931,493 0.951,494 0.941,495 0.804,496 1.003,497 0.736,498 1.011,499 0.98,500 1.108,501 0.693,502 1.162,503 0.585,504 0.967,505 0.965,506 1.084,507 0.49,508 1.054,509 0.892,510 0.924,511 1.036,512 1.02,513 0.702,514 0.998,515 0.865,516 0.864,517 0.833,518 0.847,519 0.781,520 0.991,521 1.011,522 1.021,523 1.041,524 1.011,525 1.037,526 1.081,527 6,528 0.16,529 4,530 1.882,531 1.747,532 0.99,533 0.573,534 0.393,535 0.199,536 0.234,537 15284,538 41875,539 2.16,540 44.6,542 16,543 1,545 2,547 4,548 2,550 1.73,551 2.044,552 3.716,553 0.161,555 1,559 89.019,560 1.59,561 3.877,562 5.102,563 5.522,564 5.522,565 5.522,566 3.183,567 4.696,568 4.927,569 3.907,570 1816.95,571 8.566,572 26872.9,574 1,577 325.212,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.04,585 0.026,586 0.017,587 0.012,588 0.008,589 0.01,590 0.407,591 0.17,592 0.88,593 0.646,594 164.046,595 -0.032,596 0.026,597 0.06,598 0.065,599 -0.041,600 0.062,601 -0.037,602 0.073,603 0.001,604 0.073,605 0.09,606 0.046,607 -0.11,608 0.022,609 -0.064,610 0.014,611 -0.022,612 -0.034,613 0.008,614 -0.129,615 -0.06,616 -0.136,617 -0.019,618 -0.168,619 0.044,620 -0.153,621 0.026,622 -0.091,623 0.043,624 -0.025,625 -0.05,626 -0.079,627 -0.036,628 -0.059,629 -0.038,630 -0.006,631 0.05,632 -0.014,633 -0.009,634 0.009,635 0.026,636 -0.033,637 -0.087,638 -0.046,639 -0.099,640 -0.061,641 -0.095,642 -0.082,643 2.051,644 5.48,645 0.806,646 32.489,647 1.001,648 1.119,649 3.811,650 14.525,651 0.69,652 3.584,653 3.932,654 4.234,655 4.511,656 4.762,657 4.86,658 4.997,659 5.069,660 5.142,661 5.204,662 7.976,663 0.649,664 436.59,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.67,671 9.557,672 10.45,673 11.34,674 12.233,675 3.6,678 1,682 1,687 2,688 7,692 1,693 5,695 16,701 1,713 1,714 56,716 18,717 2,718 35,720 60,721 25,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 25,765 5,766 2,767 6,768 1,773 2,777 0.6,778 2,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,821 1,825 1,827 31,828 1,833 7,835 1,837 1,838 1,842 1,846 1,847 3.6,850 1,851 1,854 15.167,855 9.926,856 6.667,857 3.482,858 3.567,859 1.425,860 1.032,861 5.81,862 11.969,863 3.829,864 4.44,865 5.043,866 5.633,867 6.152,868 6.465,869 6.811,870 7.046,871 7.076,872 7.271,873 1,874 51,875 11.534,877 5.056,878 7.731,879 22.421,881 19.377,883 2.231,884 69.167,887 1,888 270.735,889 156.846,890 36.022,892 36.145,893 14.96,894 31.278,895 125.568,896 306.88,897 50.982,899 51.41,900 73.983,901 40.849,902 30.746,903 27.477,904 290.242,906 270.735,907 161.59,908 51.105,909 31.278,911 215.069,912 95.772,913 11,915 54.535,916 97.579,917 9.476,918 31.278,919 285.695,920 72.166,921 156.846,924 270.735,925 82.863,926 77.107,928 84.002,929 270.735,930 87.126,931 156.846,933 0.589,934 0.347,935 0.187,936 0.105,937 26,938 11,939 0.083,940 5,941 2,942 1.16,943 4.358,944 283.876,945 0.16,946 25,947 151.58,948 1,951 20.657,952 8.719,953 4.262,954 2.152,955 87.126,956 12.925,960 1.608,961 3.99,963 32.897,964 514.708,965 45,970 11.462,972 2.309,974 0.97,975 56.051,976 62.658,977 0.274,978 0.668,979 0.879,980 0.951,981 0.951,982 0.951,983 5.088,984 1.57,985 5.999,986 5.723,987 4.615,988 5.127,989 1.956,990 6.823,991 4.54,992 6.293,993 1.529,994 7.566,995 4.337,996 4.205,997 4.977,998 0.325,999 7.745,1000 4.112,1001 7.608,1002 1.222,1003 9.231,1004 3.822,1005 6.225,1006 7.339,1007 1.989,1008 10.843,1009 6.1,1010 8.957,1011 1.182,1012 10.954,1013 3.236,1014 6.635,1015 8.048,1016 0.393,1017 12.605,1018 6.499,1019 10.34,1020 1.011,1021 12.715,1022 2.831,1023 8.118,1024 9.89,1025 2.094,1026 15.217,1027 7.956,1028 11.747,1029 1,1030 14.503,1031 2.388,1032 8.906,1033 11.004,1034 0.384,1035 17.326,1036 8.732,1037 13.173,1038 0.637,1039 16.31,1040 2.275,1041 10.173,1042 12.637,1043 2.241,1044 19.777,1045 9.977,1046 3.165,1047 0.509,1048 18.131,1049 1.517,1050 11.142,1051 13.948,1052 0.351,1053 22.033,1054 10.931,1055 3.077,1056 10.913,1057 19.964,1058 1.243,1059 12.321,1060 15.495,1061 2.418,1062 24.429,1063 12.089,1064 2.662,1065 10.291,1066 21.807,1067 4.54,1068 13.376,1069 16.902,1070 0.312,1071 26.749,1072 13.125,1073 2.613,1074 8.14,1075 23.657,1076 4.006,1077 14.522,1078 18.416,1079 2.619,1080 29.126,1081 14.25,1082 2.362,1083 7.935,1084 25.514,1085 3.386,1086 15.617,1087 19.87,1088 0.273,1089 31.475,1090 15.326,1091 2.056,1092 6.896,1093 27.375,1094 3.265,1095 16.752,1096 21.373,1097 2.839,1098 33.848,1099 16.44,1100 1.959,1101 6.012,1102 29.242,1103 2.87,1104 17.868,1105 22.851,1106 0.236,1107 36.209,1108 17.534,1109 14064,1110 23419,1111 23.868,1112 38.642,1113 53.678,1114 54.242,1115 54.493,1116 53.149,1117 53.107,1118 67.815,1119 6.439,1120 155.118,1121 50.88,1122 5.569,1123 5.522,1124 6.249,1125 5.232,1126 5.165,1127 7.54,1128 2.302,1129 18.066,1130 5.076,1131 13.5,1132 1.534,1133 1.55,1134 1.557,1135 1.519,1136 1.517,1137 1.938,1138 0.184,1139 4.432,1140 1.454,1141 4.11,1142 4.121,1143 4.331,1144 4.124,1145 8.201,1146 4.078,1147 4.011,1148 4.03,1149 3.962,1150 3.945,1151 7.437,1152 3.943,1153 3.811,1154 3.865,1155 3.73,1156 3.687,1157 4.907,1158 3.684,1159 3.582,1160 3.618,1161 3.512,1162 3.426,1163 4.821,1164 3.432,1165 3.423,1166 3.477,1167 3.488,1168 3.307,1169 4.744,1170 3.284,1171 3.3,1172 3.344,1173 3.244,1174 3.215,1175 4.42,1176 3.178,1177 3.221,1178 3.284,1179 3.099,1180 2.995,1181 4.373,1182 3.008,1183 3.037,1184 3.128,1185 2.971,1186 2.89,1187 4.032,1188 2.857,1189 0.132,1190 0.101,1191 0.192,1192 0.118,1193 0.09,1194 4.604,1195 0.13,1196 3.522,1197 0.033,1198 6.712,1199 0.312,1200 4.136,1201 0.088,1202 3.165,1203 4.54,1204 1.151,1205 10.913,1206 3.076,1207 1.987,1208 1.967,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.948,1214 1.931,1215 2.045,1216 2.03,1217 1.303,1218 2.037,1219 1.807,1220 1.77,1221 1.93,1222 1.93,1223 1.13,1224 1.94,1225 1.554,1226 1.517,1227 1.746,1228 1.737,1229 1.038,1230 1.735,1231 1.421,1232 1.379,1233 1.661,1234 1.605,1235 0.86,1236 1.63,1237 1.306,1238 1.266,1239 1.443,1240 1.44,1241 0.702,1242 1.456,1243 1.132,1244 1.08,1245 1.401,1246 1.394,1247 0.667,1248 1.416,1249 1.076,1250 0.994,1251 1.345,1252 1.294,1253 0.453,1254 1.344,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.433,1267 13.48,1269 5.423,1271 6.288,1273 6.046,1275 0.062,1276 2.452,1280 36.364,1281 89.019,1282 217.099,1283 285.702,1284 309.212,1285 309.212,1286 309.212,1287 52.101,1288 8.402,1289 55.56,1290 83.8,1291 29,1292 12.76,1293 4.248,1294 3.459,1295 44.035,1296 152,1297 137,1298 0.141,1299 221.176,1300 386.96,1301 531.429,1302 62537,1303 1.8,1304 21.372,1305 0.689,1306 0.584,1307 20.855,1308 18.09,1309 15.081,1310 0.431,1311 0.331,1312 10.671,1313 14.146,1314 10.386,1315 8.468,1316 15.141,1317 11.59,1318 13.874,1319 0.277,1320 0.183,1321 13.791,1322 9.157,1323 11.947,1324 0.176,1325 0.107,1326 12.3,1327 7.294,1328 10.075,1329 0.112,1330 0.063,1331 10.641,1332 5.648,1333 8.384,1334 0.072,1335 0.035,1336 8.839,1337 4.099,1338 0.229,1339 98.277,1340 0.205,1341 29.624,1342 0.367,1343 170,1344 493.4,1345 204.979,1346 472.961,1347 640.36,1348 444,1349 203,1350 444.873,1351 234.6,1352 461.366,1353 680.83,1354 436,1355 7.699} {0 CHEMBL82204,1 1.476,2 13.719,3 3.568,4 12.731,5 126.056,6 7.298,7 0.568,8 4.197,9 4.33,10 3.77,11 3.737,12 5.226,13 3.717,14 4.781,15 4.97,16 4.159,17 4.199,18 5.726,19 4.156,20 5.056,21 5.276,22 4.123,23 4.364,24 5.919,25 4.255,26 5.196,27 5.467,28 4.022,29 4.37,30 5.946,31 4.217,32 5.149,33 5.44,34 3.996,35 4.293,36 5.855,37 4.147,38 5.039,39 5.298,40 4.013,41 4.259,42 5.847,43 4.137,44 5.025,45 5.284,46 3.961,47 4.214,48 5.834,49 4.081,50 4.987,51 5.272,52 3.772,53 4.073,54 5.812,55 3.933,56 0.046,57 1.015,58 12.565,59 5.231,60 10.801,61 7.169,62 0.236,63 1.702,64 24.68,65 8.895,66 23.329,67 12.541,68 0.269,69 2.061,70 33.987,71 13.111,72 35.414,73 18.323,74 0.309,75 2.116,76 41.656,77 15.347,78 43.791,79 22.388,80 0.371,81 1.952,82 40.61,83 14.237,84 37.038,85 21.329,86 0.358,87 1.894,88 35.21,89 12.547,90 39.719,91 18.356,92 0.296,93 1.851,94 34.447,95 12.479,96 33.492,97 18.218,98 0.42,99 1.77,100 35.147,101 11.466,102 52.437,103 16.545,104 5,105 54,106 0.237,107 0.595,108 0.809,109 0.868,110 0.868,111 0.868,112 3.502,113 0.914,114 -5.51,115 -5.39,116 -5.03,119 42.4,121 2,122 1,124 1,125 3,127 2,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 9,171 2,172 7,176 3,178 9,181 1,182 6,186 3,189 8,193 8,199 5,203 8,206 2,208 1,211 6,215 6,220 1,222 6,225 1,226 7,229 2,233 5,237 2,240 1,244 4,248 2,249 3,256 5,259 1794,260 22.066,261 22.066,262 22.066,263 22.066,264 22.066,265 19.602,266 27.62,267 12.773,268 22.544,269 18.308,270 18.308,271 18.308,272 18.308,273 18.308,274 14.684,275 35.244,276 6.149,277 19.124,278 4.407,279 2.184,280 0.854,281 0.487,282 0.487,283 0.487,284 4.223,288 1,289 1,290 1002,291 2.828,294 300.212,295 195.243,297 117.238,298 131.699,302 2.379,303 20.047,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 68.5,315 439,316 4.573,317 3.433,318 6.725,319 4.195,320 3.233,321 4.519,322 0.916,323 10.934,324 3.121,325 4.22,326 3.191,327 6.561,328 4.077,329 3.102,330 3.732,331 0.8,332 10.418,333 3.021,334 4.124,335 2.999,336 6.097,337 3.696,338 2.757,339 3.621,340 0.172,341 8.896,342 2.604,343 4.016,344 2.889,345 5.716,346 3.636,347 2.668,348 3.215,350 7.903,351 2.57,352 3.557,353 2.803,354 5.461,355 3.35,356 2.407,357 2.822,359 7.109,360 2.269,361 3.427,362 2.413,363 5.139,364 3.069,365 2.11,366 2.736,368 6.143,369 2.005,370 3.278,371 2.157,372 5.007,373 2.904,374 1.943,375 2.596,377 5.72,378 1.858,379 3.202,380 1.834,381 4.782,382 2.729,383 1.776,384 2.32,386 5.033,387 1.688,388 2.767,389 1.798,390 4.732,391 2.616,392 1.657,393 1.853,395 4.93,396 1.585,397 2.69,398 1.683,399 4.512,400 2.548,401 1.582,402 1.704,404 4.651,405 1.521,406 2.611,407 1.276,408 4.108,409 2.207,410 1.237,411 1.621,413 3.348,414 1.198,415 2.5,416 1,417 3.475,418 2,419 1,420 1.5,422 2.275,423 1,424 2.381,425 0.976,426 3.414,427 1.888,428 0.926,429 1.329,431 2.159,432 0.888,433 2.118,434 0.766,435 3.331,436 1.617,437 0.663,438 0.927,440 1.672,441 0.631,442 2.081,443 0.676,444 3.201,445 1.518,446 0.618,447 0.909,449 1.372,450 0.556,451 15.186,452 0.475,453 0.794,454 0.025,455 40,456 1.25,457 18,458 0.563,459 22,460 0.688,461 29.461,462 0.921,463 34.014,464 0.577,465 28.334,466 0.885,467 7.744,468 0.242,469 7.892,470 0.247,471 0.052,473 0.375,477 1,479 0.678,480 1.253,481 0.763,482 1.091,483 0.501,484 0.966,485 0.921,486 0.966,487 0.918,488 0.9,489 0.528,490 0.895,491 0.89,492 1.064,493 1.135,494 1.191,495 0.744,496 1.2,497 0.669,498 0.943,499 0.987,500 1.086,501 0.571,502 1.087,503 0.506,504 0.74,505 0.814,506 0.869,507 0.334,508 0.881,509 0.734,510 0.888,511 0.951,512 0.984,513 0.668,514 0.996,515 0.62,516 0.979,517 0.983,518 1.122,519 0.528,520 1.111,521 1.21,522 0.96,523 1.093,524 0.96,525 1.293,526 0.999,527 6.5,528 0.156,529 3.556,530 2.368,531 1.296,532 1.112,533 0.749,534 0.455,535 0.339,536 0.242,537 16929,538 41609,539 2.23,540 45.8,542 18,543 1,544 2,545 1,547 4,548 1,550 1.741,551 2.133,552 3.717,553 -0.372,555 1,559 87.088,560 1.476,561 3.698,562 5.028,563 5.395,564 5.395,565 5.395,566 3.281,567 4.563,568 4.967,569 3.903,570 1935.88,571 8.667,572 28715,574 1,577 347.076,578 1.248,579 4.952,580 0.176,581 0.006,582 0.066,583 0.048,584 0.03,585 0.026,586 0.017,587 0.011,588 0.011,589 0.008,590 0.399,591 0.33,592 0.75,593 0.406,594 169.936,595 0.042,596 -0.156,597 0.085,598 -0.058,599 0.044,600 0.003,601 -0.072,602 0.08,603 -0.011,604 0.079,605 0.055,606 0.053,607 -0.09,608 -0.076,609 -0.21,610 -0.174,611 -0.003,612 -0.204,613 -0.011,614 -0.099,615 -0.03,616 -0.082,617 0.011,618 -0.064,619 0.074,620 0.034,621 0.155,622 0.108,623 0.054,624 0.137,625 0.017,626 0.008,627 0.007,628 0.009,629 -0.011,630 0.007,631 0.065,632 -0.116,633 -0.032,634 -0.139,635 0.013,636 -0.111,637 -0.111,638 0.01,639 -0.071,640 0.004,641 -0.153,642 -0.02,643 1.833,644 5.2,645 0.875,646 38.387,647 0.997,648 1.134,649 4.282,650 18.332,651 0.667,652 3.638,653 4.007,654 4.331,655 4.644,656 4.836,657 4.997,658 5.22,659 5.375,660 5.521,661 5.684,662 7.875,663 0.632,664 430.58,665 3.638,666 5.209,667 6.089,668 6.989,669 7.883,670 8.788,671 9.689,672 10.597,673 11.502,674 12.412,675 10.2,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 59,716 21,717 2,718 37,720 64,721 25,722 16,723 5,724 7,730 6,731 8,740 3,741 1,743 4,745 16,746 9,747 1,761 1,762 1,764 27,765 5,766 1,767 7,773 6,777 0.667,788 1,789 2,792 4,793 2,795 1,796 1,815 2,819 4,823 1,825 1,827 32,833 5,837 3,838 2,844 1,846 1,854 15,855 10.726,856 6.75,857 3.574,858 3.656,859 1.416,860 1.036,861 5.002,862 12.452,863 3.882,864 4.5,865 5.095,866 5.684,867 6.127,868 6.478,869 6.932,870 7.369,871 7.623,872 7.923,873 1,874 49,875 11.849,877 5.2,878 7.563,879 23.368,881 20.545,883 2.063,884 66,887 1,888 306.049,889 135.367,890 58.259,893 14.96,895 135.367,896 306.049,897 73.219,898 8.396,899 11.386,900 75.381,901 74.105,902 45.755,903 28.875,904 270.735,906 306.049,907 193.626,908 14.96,911 262.153,912 58.856,915 53.557,916 106.744,917 33.326,919 321.009,920 58.259,921 135.367,924 306.049,925 34.352,926 109.162,927 16.786,928 48.286,929 306.049,930 73.219,931 135.367,933 0.593,934 0.351,935 0.191,936 0.098,937 30,938 12,939 0.078,940 5,941 2,942 1.143,943 4.515,944 307.953,945 0.143,946 28,947 152,951 19.957,952 8.021,953 3.753,954 2.447,955 54.535,956 19.015,957 7.857,958 3.444,961 3.473,962 1.942,963 16.786,964 514.635,965 47.5,975 58.843,976 66.897,977 0.251,978 0.629,979 0.855,980 0.917,981 0.917,982 0.917,983 5.149,984 1.776,985 6.084,986 5.72,987 4.691,988 5.187,989 1.242,990 6.923,991 4.61,992 6.347,993 1.657,994 7.656,995 5.033,996 4.29,997 4.934,998 0.57,999 7.823,1000 4.158,1001 7.652,1002 1.582,1003 9.323,1004 4.93,1005 6.315,1006 7.364,1007 0.883,1008 10.946,1009 6.16,1010 8.991,1011 1.237,1012 11.045,1013 4.651,1014 6.758,1015 7.994,1016 0.581,1017 12.694,1018 6.555,1019 10.362,1020 1,1021 12.805,1022 3.348,1023 8.23,1024 9.865,1025 0.68,1026 15.318,1027 8.007,1028 11.757,1029 0.926,1030 14.591,1031 2.275,1032 9.053,1033 10.923,1034 0.515,1035 17.421,1036 8.787,1037 13.169,1038 0.663,1039 16.396,1040 2.159,1041 10.315,1042 12.568,1043 0.541,1044 19.876,1045 10.028,1046 3.233,1047 0.618,1048 18.216,1049 1.672,1050 11.313,1051 13.844,1052 0.441,1053 22.131,1054 10.989,1055 3.102,1056 10.934,1057 20.048,1058 1.372,1059 12.497,1060 15.394,1061 0.438,1062 24.527,1063 12.147,1064 2.757,1065 10.418,1066 21.891,1067 4.519,1068 13.575,1069 16.782,1070 0.373,1071 26.847,1072 13.191,1073 2.668,1074 8.896,1075 23.741,1076 3.732,1077 14.731,1078 18.296,1079 0.358,1080 29.224,1081 14.319,1082 2.407,1083 7.903,1084 25.598,1085 3.621,1086 15.846,1087 19.74,1088 0.314,1089 31.573,1090 15.402,1091 2.11,1092 7.109,1093 27.46,1094 3.215,1095 16.994,1096 21.241,1097 0.296,1098 33.946,1099 16.522,1100 1.943,1101 6.143,1102 29.327,1103 2.822,1104 18.128,1105 22.714,1106 0.264,1107 36.308,1108 17.624,1109 15210,1110 23992,1111 25.66,1112 39.347,1113 57.258,1114 57.041,1115 57.176,1116 56.667,1117 56.654,1118 72.209,1119 3.778,1120 168.507,1121 54.256,1122 5.573,1123 5.433,1124 6.321,1125 5.256,1126 5.233,1127 7.519,1128 1.605,1129 18.103,1130 5.121,1131 10.83,1132 1.548,1133 1.542,1134 1.545,1135 1.532,1136 1.531,1137 1.952,1138 0.102,1139 4.554,1140 1.466,1141 4.164,1142 4.203,1143 4.12,1144 4.069,1145 8.201,1146 4.077,1147 4.002,1148 4.055,1149 3.923,1150 3.886,1151 5.135,1152 3.888,1153 3.886,1154 3.927,1155 3.822,1156 3.788,1157 4.928,1158 3.788,1159 3.817,1160 3.888,1161 3.773,1162 3.573,1163 4.651,1164 3.615,1165 3.487,1166 3.56,1167 3.37,1168 3.317,1169 4.442,1170 3.322,1171 3.306,1172 3.373,1173 3.208,1174 3.135,1175 4.25,1176 3.144,1177 3.152,1178 3.253,1179 2.982,1180 2.94,1181 4.013,1182 2.933,1183 3.097,1184 3.17,1185 2.928,1186 2.923,1187 3.797,1188 2.913,1189 0.124,1190 0.093,1191 0.182,1192 0.113,1193 0.087,1194 4.573,1195 0.122,1196 3.433,1197 0.025,1198 6.725,1199 0.296,1200 4.195,1201 0.084,1202 3.233,1203 4.519,1204 0.916,1205 10.934,1206 3.121,1207 1.96,1208 1.936,1209 2.041,1210 2.052,1211 1.352,1212 2.05,1213 1.906,1214 1.877,1215 2.02,1216 2.008,1217 1.242,1218 2.014,1219 1.718,1220 1.665,1221 1.907,1222 1.891,1223 1.193,1224 1.898,1225 1.617,1226 1.559,1227 1.828,1228 1.784,1229 1.117,1230 1.806,1231 1.495,1232 1.425,1233 1.698,1234 1.721,1235 0.931,1236 1.716,1237 1.399,1238 1.328,1239 1.597,1240 1.653,1241 0.723,1242 1.636,1243 1.326,1244 1.255,1245 1.507,1246 1.543,1247 0.581,1248 1.546,1249 1.078,1250 0.982,1251 1.385,1252 1.442,1253 0.54,1254 1.379,1255 4.317,1257 5.673,1258 3.714,1259 7.201,1260 6.075,1261 8.81,1262 8.153,1263 10.466,1265 2.286,1267 13.2,1271 5.376,1275 1.844,1276 5.115,1280 37.306,1281 87.088,1282 218.205,1283 296.67,1284 318.321,1285 318.321,1286 318.321,1287 42.551,1288 8.797,1289 52.98,1290 52.98,1291 32,1292 12.929,1293 4.459,1294 3.524,1295 41.621,1296 151,1297 166,1298 0.133,1299 221.836,1300 371.61,1301 533.04,1302 95384,1303 1.7,1304 21.656,1305 0.677,1306 0.567,1307 20.786,1308 18.155,1309 15.636,1310 0.423,1311 0.305,1312 11.114,1313 15.014,1314 10.865,1315 8.931,1316 15.242,1317 11.276,1318 14.593,1319 0.27,1320 0.173,1321 13.971,1322 9.32,1323 12.948,1324 0.173,1325 0.099,1326 12.537,1327 7.399,1328 11.103,1329 0.108,1330 0.055,1331 10.961,1332 5.709,1333 8.676,1334 0.069,1335 0.032,1336 8.385,1337 4.018,1338 0.214,1339 97.946,1340 0.197,1341 30.294,1342 0.354,1343 182,1344 482.67,1345 197.349,1346 450.364,1347 625.46,1348 424,1349 220,1350 473.162,1351 236.898,1352 477.576,1353 696.6,1354 448,1355 8.538} {0 CHEMBL82488,1 1.54,2 13.903,3 3.536,4 12.503,5 118.608,6 7.509,7 0.457,8 4.136,9 4.243,10 3.715,11 3.697,12 5.22,13 3.682,14 4.707,15 4.862,16 4.096,17 4.123,18 5.793,19 4.088,20 4.981,21 5.173,22 4.146,23 4.289,24 5.991,25 4.216,26 5.061,27 5.273,28 4.064,29 4.292,30 6.04,31 4.178,32 5.081,33 5.337,34 3.93,35 4.198,36 5.915,37 4.064,38 4.975,39 5.23,40 3.822,41 4.06,42 5.835,43 3.94,44 4.836,45 5.077,46 3.765,47 3.982,48 5.808,49 3.867,50 4.796,51 5.051,52 3.58,53 3.909,54 5.689,55 3.769,56 0.043,57 0.839,58 11.256,59 5.492,60 10.34,61 6.732,62 0.258,63 1.402,64 22.361,65 9.454,66 33.539,67 11.812,68 0.366,69 1.78,70 31.461,71 12.833,72 49.227,73 16.275,74 0.514,75 1.831,76 34.947,77 14.098,78 61.923,79 18.658,80 0.383,81 1.787,82 37.831,83 14.293,84 52.722,85 19.734,86 0.532,87 1.598,88 34.677,89 11.971,90 60.09,91 16.434,92 0.496,93 1.446,94 29.246,95 10.536,96 60.975,97 14.392,98 0.393,99 1.435,100 28.819,101 10.663,102 56.814,103 14.192,104 11,105 50,106 0.251,107 0.632,108 0.832,109 0.901,110 0.901,111 0.901,112 3.471,113 0.918,114 -4.25,115 -4.19,116 -3.96,119 44.6,121 3,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 10,173 1,174 1,176 1,178 17,180 1,182 7,186 2,189 13,191 2,192 1,193 9,197 2,199 10,201 2,203 6,208 2,211 6,213 2,214 1,215 6,222 3,225 1,226 5,228 1,229 1,231 1,233 6,235 1,237 2,244 10,248 1,249 1,251 1,252 1,256 10,259 1562,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.924,266 21.562,267 12.284,268 21.458,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 13.798,275 22.352,276 5.816,277 17.744,278 4.267,279 1.931,280 0.706,281 0.286,282 0.286,283 0.286,284 4.183,288 1,289 1,290 960,291 3.162,294 70.422,295 346.178,298 131.719,299 142.42,302 2.054,303 33.062,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67.5,315 431,316 4.604,317 3.522,318 6.712,319 4.163,320 3.165,321 4.54,322 1.151,323 10.913,324 3.158,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.962,335 3.247,336 5.903,337 3.65,338 2.662,339 3.386,340 0.916,341 8.14,342 2.635,343 3.93,344 2.962,345 5.786,346 3.591,347 2.613,348 3.265,349 0.172,350 7.935,351 2.549,352 3.57,353 2.765,354 5.339,355 3.303,356 2.362,357 2.87,359 6.896,360 2.214,361 3.352,362 2.481,363 5.137,364 3.017,365 2.056,366 2.461,368 6.012,369 1.962,370 3.154,371 2.351,372 4.96,373 2.918,374 1.959,375 2.288,377 5.723,378 1.863,379 3.013,380 1.979,381 4.514,382 2.539,383 1.57,384 2.179,386 4.337,387 1.531,388 2.881,389 1.792,390 4.189,391 2.519,392 1.529,393 1.968,395 3.822,396 1.495,397 2.677,398 1.578,399 4.026,400 2.214,401 1.222,402 1.711,404 3.236,405 1.207,406 2.595,407 1.422,408 3.783,409 2.173,410 1.182,411 1.564,413 2.831,414 1.156,415 2.217,416 1.332,417 3.446,418 1.984,419 1.011,420 1.182,422 2.388,423 0.983,424 2.104,425 1.16,426 3.414,427 1.984,428 1,429 1.043,431 2.275,432 0.977,433 2.022,434 0.781,435 3.229,436 1.622,437 0.637,438 0.855,440 1.517,441 0.625,442 1.659,443 0.645,444 3.135,445 1.485,446 0.509,447 0.588,449 1.243,450 0.494,451 14.586,452 0.471,453 0.763,454 0.025,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 28.254,462 0.911,463 33.414,464 0.597,465 27.739,466 0.895,467 7.362,468 0.237,469 7.718,470 0.249,471 0.07,473 0.37,477 1,479 0.704,480 1.046,481 0.75,482 1.033,483 0.592,484 0.922,485 0.895,486 0.937,487 0.884,488 0.958,489 0.516,490 0.922,491 0.982,492 0.976,493 1.018,494 1.03,495 0.806,496 1.031,497 0.707,498 0.998,499 1.058,500 1.174,501 0.661,502 1.191,503 0.681,504 0.953,505 0.904,506 1.053,507 0.528,508 1.037,509 0.914,510 0.853,511 0.995,512 0.92,513 0.728,514 0.963,515 0.769,516 0.909,517 1.01,518 0.99,519 0.763,520 1.035,521 0.983,522 1.027,523 1.103,524 1.039,525 1.037,526 1.085,527 6,528 0.16,529 4,530 1.882,531 1.747,532 0.99,533 0.573,534 0.393,535 0.199,536 0.234,537 15284,538 41875,539 2.16,540 44.6,542 16,543 1,545 2,547 4,548 2,550 1.73,551 2.044,552 3.716,553 0.161,555 1,559 86.264,560 1.54,561 3.877,562 5.102,563 5.522,564 5.522,565 5.522,566 3.183,567 4.696,568 4.927,569 3.907,570 1816.95,571 8.566,572 26872.9,574 1,576 1,577 325.212,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.04,585 0.026,586 0.017,587 0.012,588 0.008,589 0.01,590 0.407,591 0.17,592 0.88,593 0.646,594 164.046,595 -0.036,596 -0.016,597 0.051,598 0.008,599 -0.037,600 0.044,601 -0.051,602 0.045,603 -0.001,604 0.045,605 0.083,606 0.037,607 -0.105,608 -0.004,609 -0.091,610 -0.026,611 -0.023,612 -0.048,613 0.063,614 -0.108,615 -0.126,616 -0.176,617 0.023,618 -0.19,619 0.016,620 -0.149,621 0.067,622 -0.075,623 0.029,624 -0.013,625 -0.051,626 -0.02,627 0.005,628 0.025,629 -0.049,630 0.024,631 0.045,632 -0.039,633 -0.036,634 -0.035,635 0.026,636 -0.049,637 -0.09,638 -0.046,639 -0.104,640 -0.056,641 -0.102,642 -0.078,643 2.058,644 5.413,645 0.806,646 32.489,647 1.005,648 1.124,649 3.023,650 9.142,651 0.669,652 3.584,653 3.932,654 4.234,655 4.511,656 4.762,657 4.86,658 4.997,659 5.069,660 5.142,661 5.204,662 7.976,663 0.641,664 420.52,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.67,671 9.557,672 10.45,673 11.34,674 12.233,675 3.6,678 1,682 1,687 2,688 7,691 1,693 5,695 16,701 1,713 1,714 56,716 18,717 2,718 35,720 60,721 25,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,762 1,763 1,764 25,765 6,766 2,767 6,773 2,777 0.6,778 3,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 5.4,850 1,851 1,852 1,854 15.167,855 9.926,856 6.667,857 3.482,858 3.567,859 1.425,860 1.026,861 5.554,862 11.969,863 3.829,864 4.44,865 5.043,866 5.633,867 6.152,868 6.465,869 6.811,870 7.046,871 7.076,872 7.271,873 1,874 51,875 11.524,877 5.06,878 7.785,879 22.217,881 19.075,883 2.285,884 70.833,886 1,887 1,888 270.735,889 133.749,890 36.022,892 45.652,893 14.96,895 133.749,896 316.388,897 50.982,899 51.41,900 78.073,901 40.849,902 40.254,903 31.567,904 258.964,906 270.735,907 169.771,908 60.612,911 215.069,912 105.279,913 11,915 54.535,916 105.76,917 9.476,919 285.695,920 81.674,921 133.749,924 270.735,925 55.676,926 81.198,928 93.509,929 270.735,930 96.634,931 133.749,933 0.589,934 0.347,935 0.187,936 0.105,937 26,938 11,939 0.083,940 5,941 2,942 1.16,943 4.358,944 283.876,945 0.16,946 25,947 153.58,951 20.289,952 8.486,953 4.125,954 1.551,955 96.634,956 12.121,959 5.553,961 3.667,963 32.897,964 501.118,965 45,970 11.456,972 2.242,974 0.858,975 56.301,976 62.947,977 0.265,978 0.668,979 0.879,980 0.951,981 0.951,982 0.951,983 5.088,984 1.57,985 5.999,986 5.723,987 4.615,988 5.127,989 1.956,990 6.823,991 4.57,992 6.293,993 1.529,994 7.566,995 4.337,996 4.205,997 4.977,998 0.325,999 7.745,1000 4.141,1001 7.608,1002 1.222,1003 9.231,1004 3.822,1005 6.225,1006 7.339,1007 1.989,1008 10.843,1009 6.15,1010 8.957,1011 1.182,1012 10.954,1013 3.236,1014 6.635,1015 8.048,1016 0.393,1017 12.605,1018 6.557,1019 10.34,1020 1.011,1021 12.715,1022 2.831,1023 8.118,1024 9.89,1025 2.094,1026 15.217,1027 8.029,1028 11.747,1029 1,1030 14.503,1031 2.388,1032 8.906,1033 11.004,1034 0.384,1035 17.326,1036 8.821,1037 13.173,1038 0.637,1039 16.31,1040 2.275,1041 10.173,1042 12.637,1043 2.241,1044 19.777,1045 10.078,1046 3.165,1047 0.509,1048 18.131,1049 1.517,1050 11.142,1051 13.948,1052 0.351,1053 22.033,1054 11.05,1055 3.077,1056 10.913,1057 19.964,1058 1.243,1059 12.321,1060 15.495,1061 2.418,1062 24.429,1063 12.222,1064 2.662,1065 10.291,1066 21.807,1067 4.54,1068 13.376,1069 16.902,1070 0.312,1071 26.749,1072 13.278,1073 2.613,1074 8.14,1075 23.657,1076 4.006,1077 14.522,1078 18.416,1079 2.619,1080 29.126,1081 14.419,1082 2.362,1083 7.935,1084 25.514,1085 3.386,1086 15.617,1087 19.87,1088 0.273,1089 31.475,1090 15.514,1091 2.056,1092 6.896,1093 27.375,1094 3.265,1095 16.752,1096 21.373,1097 2.839,1098 33.848,1099 16.645,1100 1.959,1101 6.012,1102 29.242,1103 2.87,1104 17.868,1105 22.851,1106 0.236,1107 36.209,1108 17.758,1109 14064,1110 23419,1111 23.868,1112 37.449,1113 53.678,1114 54.242,1115 54.493,1116 53.221,1117 53.107,1118 67.815,1119 6.439,1120 155.118,1121 51.771,1122 5.569,1123 5.522,1124 6.249,1125 5.247,1126 5.165,1127 7.54,1128 2.302,1129 18.066,1130 5.158,1131 13.5,1132 1.534,1133 1.55,1134 1.557,1135 1.521,1136 1.517,1137 1.938,1138 0.184,1139 4.432,1140 1.479,1141 4.127,1142 4.137,1143 4.094,1144 4.037,1145 8.201,1146 4.047,1147 4.013,1148 4.033,1149 3.958,1150 3.941,1151 7.437,1152 3.942,1153 3.813,1154 3.867,1155 3.718,1156 3.681,1157 5.122,1158 3.682,1159 3.582,1160 3.618,1161 3.498,1162 3.424,1163 4.905,1164 3.431,1165 3.428,1166 3.48,1167 3.347,1168 3.265,1169 4.748,1170 3.271,1171 3.316,1172 3.361,1173 3.182,1174 3.155,1175 4.435,1176 3.155,1177 3.222,1178 3.285,1179 3.099,1180 2.983,1181 4.376,1182 3.004,1183 3.038,1184 3.129,1185 2.872,1186 2.874,1187 4.256,1188 2.848,1189 0.132,1190 0.101,1191 0.192,1192 0.119,1193 0.09,1194 4.604,1195 0.13,1196 3.522,1197 0.033,1198 6.712,1199 0.312,1200 4.163,1201 0.09,1202 3.165,1203 4.54,1204 1.151,1205 10.913,1206 3.158,1207 1.987,1208 1.966,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.947,1214 1.928,1215 2.046,1216 2.033,1217 1.303,1218 2.038,1219 1.802,1220 1.762,1221 1.941,1222 1.955,1223 1.117,1224 1.95,1225 1.551,1226 1.513,1227 1.75,1228 1.743,1229 1.027,1230 1.738,1231 1.416,1232 1.367,1233 1.661,1234 1.629,1235 0.859,1236 1.636,1237 1.287,1238 1.245,1239 1.475,1240 1.501,1241 0.693,1242 1.497,1243 1.131,1244 1.077,1245 1.423,1246 1.434,1247 0.601,1248 1.422,1249 1.074,1250 0.991,1251 1.354,1252 1.296,1253 0.422,1254 1.346,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.433,1267 13.413,1269 5.416,1271 6.061,1273 6.032,1275 0.045,1276 2.418,1280 35.892,1281 86.264,1282 217.099,1283 285.702,1284 309.212,1285 309.212,1286 309.212,1287 53.553,1288 8.402,1289 68.7,1290 68.7,1291 29,1292 12.76,1293 4.248,1294 3.459,1295 44.035,1296 152,1297 137,1298 0.141,1299 214.041,1300 377.24,1301 514.02,1302 62537,1303 1.8,1304 21.372,1305 0.689,1306 0.557,1307 20.501,1308 17.273,1309 15.081,1310 0.431,1311 0.306,1312 10.564,1313 14.487,1314 10.386,1315 8.468,1316 14.687,1317 10.71,1318 13.874,1319 0.277,1320 0.165,1321 13.24,1322 8.246,1323 11.947,1324 0.176,1325 0.093,1326 11.611,1327 6.349,1328 10.075,1329 0.112,1330 0.052,1331 9.816,1332 4.639,1333 8.384,1334 0.072,1335 0.029,1336 8.137,1337 3.37,1338 0.229,1339 94.644,1340 0.205,1341 29.624,1342 0.367,1343 170,1344 522.275,1345 186.24,1346 472.961,1347 640.36,1348 444,1349 203,1350 462.837,1351 218.543,1352 461.366,1353 680.83,1354 436,1355 7.553} {0 CHEMBL82523,1 1.606,2 14,3 3.731,4 13.923,5 121.07,6 7.676,7 0.444,8 4.157,9 4.273,10 3.745,11 3.71,12 5.268,13 3.698,14 4.727,15 4.888,16 4.139,17 4.142,18 5.841,19 4.112,20 5.017,21 5.212,22 4.249,23 4.311,24 6.207,25 4.249,26 5.094,27 5.311,28 4.134,29 4.314,30 6.14,31 4.214,32 5.115,33 5.378,34 3.964,35 4.226,36 5.997,37 4.094,38 5.013,39 5.28,40 3.884,41 4.087,42 5.901,43 3.972,44 4.89,45 5.134,46 3.84,47 3.997,48 5.933,49 3.9,50 4.821,51 5.074,52 3.638,53 3.92,54 5.814,55 3.792,56 0.077,57 0.962,58 11.113,59 5.452,60 14.246,61 6.653,62 0.296,63 1.587,64 22.226,65 9.503,66 36.965,67 11.853,68 0.658,69 2.144,70 32.514,71 13.056,72 95.143,73 16.553,74 0.56,75 2.101,76 35.928,77 14.271,78 74.109,79 18.575,80 0.513,81 1.942,82 39.413,83 14.44,84 76.34,85 19.972,86 0.565,87 1.704,88 36.199,89 12.259,90 73.24,91 17.083,92 0.664,93 1.62,94 31.546,95 10.873,96 87.067,97 14.329,98 0.593,99 1.576,100 29.858,101 10.634,102 84.138,103 13.767,104 18,105 52,106 0.261,107 0.644,108 0.841,109 0.903,110 0.903,111 0.903,112 3.502,113 0.91,114 -4.62,115 -4.54,116 -4.27,119 43.9,121 3,125 4,127 1,134 1,135 1,140 5,141 5,142 2,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 7,173 1,174 1,176 3,178 15,180 1,182 5,186 4,189 11,191 2,192 1,193 6,197 5,199 9,201 2,203 6,208 2,211 4,213 2,215 6,218 1,222 3,225 1,226 4,228 1,229 1,231 1,233 6,235 1,237 1,242 1,244 10,248 1,249 1,251 1,252 1,256 9,259 1690,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.403,266 22.137,267 12.465,268 22.093,269 17.716,270 17.716,271 17.716,272 17.716,273 17.716,274 14.161,275 22.626,276 5.852,277 18.363,278 4.227,279 1.871,280 0.66,281 0.281,282 0.281,283 0.281,284 4.211,288 1,289 1,290 993,291 3.24,294 72.463,295 358.779,298 135.93,299 148.144,302 2.063,303 41.615,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 70.5,315 448,316 4.679,317 3.522,318 6.844,319 4.216,320 3.24,321 4.639,322 1.151,323 11.324,324 3.166,325 4.384,326 3.454,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 4.099,335 3.368,336 6.197,337 3.722,338 2.762,339 3.58,340 0.916,341 8.98,342 2.646,343 3.932,344 3.107,345 5.903,346 3.64,347 2.643,348 3.265,349 0.172,350 8.139,351 2.624,352 3.646,353 2.806,354 5.483,355 3.383,356 2.451,357 2.932,359 7.098,360 2.275,361 3.352,362 2.482,363 5.288,364 3.039,365 2.076,366 2.499,368 6.377,369 1.989,370 3.172,371 2.373,372 5.13,373 2.917,374 1.96,375 2.362,377 5.98,378 1.861,379 3.104,380 2.075,381 4.695,382 2.638,383 1.675,384 2.211,386 4.672,387 1.603,388 2.881,389 1.978,390 4.191,391 2.529,392 1.569,393 1.968,395 3.824,396 1.499,397 2.679,398 1.792,399 4.071,400 2.201,401 1.223,402 1.718,404 3.263,405 1.192,406 2.596,407 1.426,408 3.783,409 2.168,410 1.182,411 1.566,413 2.831,414 1.15,415 2.24,416 1.342,417 3.536,418 1.986,419 1.02,420 1.192,422 2.396,423 0.983,424 2.202,425 1.239,426 3.444,427 1.984,428 1,429 1.092,431 2.275,432 0.978,433 2.056,434 1.13,435 3.414,436 1.725,437 0.797,438 1.021,440 2.003,441 0.732,442 1.661,443 0.76,444 3.151,445 1.508,446 0.544,447 0.597,449 1.327,450 0.521,451 14.938,452 0.467,453 0.836,454 0.026,455 37.75,456 1.18,457 17,458 0.531,459 20.75,460 0.648,461 29.966,462 0.936,463 34.862,464 0.612,465 29.467,466 0.921,467 7.562,468 0.236,469 7.946,470 0.248,471 0.087,473 0.395,477 2,479 0.648,480 1.002,481 0.731,482 1.004,483 0.555,484 0.907,485 0.779,486 0.94,487 0.842,488 0.968,489 0.518,490 0.929,491 0.785,492 0.915,493 0.929,494 1.039,495 0.637,496 1.031,497 0.787,498 1.008,499 1.059,500 1.184,501 0.75,502 1.198,503 0.662,504 0.898,505 0.931,506 1.061,507 0.589,508 1.066,509 0.752,510 0.787,511 0.915,512 0.926,513 0.594,514 0.951,515 0.956,516 0.912,517 1.042,518 0.958,519 0.914,520 1.006,521 1.078,522 0.977,523 1.186,524 1.051,525 1.143,526 1.127,527 6,528 0.16,529 4.667,530 2.097,531 1.983,532 1.101,533 0.655,534 0.409,535 0.244,536 0.254,537 16395,538 47664,539 2.135,540 43.9,542 15,543 1,545 3,547 4,548 2,550 1.738,551 2,552 3.729,553 0.822,555 1,559 91.527,560 1.606,561 3.962,562 5.173,563 5.552,564 5.552,565 5.552,566 3.198,567 4.75,568 4.974,569 3.928,570 1948.31,571 8.659,572 29483.9,574 1,577 332.475,578 1.406,579 4.933,580 0.167,581 0.006,582 0.09,583 0.038,584 0.042,585 0.028,586 0.018,587 0.012,588 0.009,589 0.011,590 0.421,591 0.17,592 0.88,593 0.688,594 170.961,595 -0.049,596 -0.007,597 0.035,598 0.038,599 -0.037,600 0.058,601 -0.042,602 -0.001,603 0.007,604 0.039,605 0.049,606 0.038,607 0.071,608 0.037,609 -0.014,610 -0.029,611 0.141,612 -0.043,613 -0.003,614 -0.106,615 -0.133,616 -0.182,617 -0.011,618 -0.194,619 0.004,620 -0.113,621 0.033,622 -0.086,623 0.006,624 -0.035,625 -0.021,626 -0.043,627 0.069,628 0.014,629 -0.002,630 0.053,631 -0.017,632 -0.028,633 -0.046,635 -0.03,636 -0.023,637 -0.091,638 0.026,639 -0.177,640 -0.064,641 -0.131,642 -0.125,643 2.507,644 6.016,645 0.781,646 33.688,647 1.01,648 1.133,649 3.393,650 11.514,651 0.666,652 3.611,653 3.97,654 4.29,655 4.554,656 4.804,657 4.92,658 5.056,659 5.124,660 5.204,661 5.268,662 8.116,663 0.642,664 437.53,665 3.611,666 5.176,667 6.052,668 6.944,669 7.834,670 8.73,671 9.625,672 10.522,673 11.42,674 12.319,675 5.3,678 1,682 1,683 1,687 2,688 6,690 1,693 6,695 16,701 1,713 2,714 57,716 18,717 2,718 36,720 61,721 25,722 14,723 7,724 5,725 3,730 5,731 7,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,762 2,764 25,765 6,766 3,767 7,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 2,827 32,828 1,833 7,835 1,837 1,838 1,846 2,847 3.5,850 1,851 1,854 16,855 10.069,856 6.889,857 3.524,858 3.604,859 1.424,860 1.035,861 5.746,862 12.101,863 3.85,864 4.474,865 5.095,866 5.68,867 6.201,868 6.544,869 6.89,870 7.129,871 7.185,872 7.354,873 1,874 55,875 11.961,877 5.355,878 7.922,879 22.736,881 19.598,883 2.422,884 77.5,887 1,888 258.964,889 128.01,890 52.807,892 36.145,893 29.92,895 128.01,896 295.109,897 82.727,899 51.41,900 65.905,901 40.849,902 56.653,903 43.835,904 247.193,906 258.964,907 180.817,908 66.065,911 218.258,912 95.772,913 11,915 71.32,916 100.02,917 9.476,919 288.884,920 88.952,921 128.01,924 258.964,925 62.105,926 69.029,927 16.786,928 98.962,929 258.964,930 118.872,931 128.01,933 0.593,934 0.357,935 0.187,936 0.103,937 27,938 12,939 0.082,940 5,941 2,942 1.16,943 4.387,944 298.185,945 0.16,946 25,947 160,951 21.173,952 8.685,953 4.085,954 0.932,955 102.087,956 10.204,958 2.879,961 2.088,963 49.683,964 505.846,965 46,970 11.458,972 2.169,974 0.742,975 57.589,976 64.576,977 0.275,978 0.679,979 0.887,980 0.952,981 0.952,982 0.952,983 5.118,984 1.675,985 6.052,986 5.98,987 4.654,988 5.162,989 1.956,990 6.897,991 4.588,992 6.333,993 1.569,994 7.637,995 4.672,996 4.29,997 5.066,998 0.325,999 7.867,1000 4.197,1001 7.658,1002 1.223,1003 9.321,1004 3.824,1005 6.286,1006 7.399,1007 1.989,1008 10.976,1009 6.173,1010 9.019,1011 1.182,1012 11.063,1013 3.263,1014 6.746,1015 8.165,1016 0.393,1017 12.772,1018 6.61,1019 10.414,1020 1.02,1021 12.842,1022 2.831,1023 8.211,1024 9.986,1025 2.094,1026 15.405,1027 8.06,1028 11.833,1029 1,1030 14.647,1031 2.396,1032 9.039,1033 11.147,1034 0.384,1035 17.538,1036 8.869,1037 13.271,1038 0.797,1039 16.469,1040 2.275,1041 10.3,1042 12.774,1043 2.241,1044 20.014,1045 10.114,1046 3.24,1047 0.544,1048 18.306,1049 2.003,1050 11.299,1051 14.122,1052 0.351,1053 22.294,1054 11.094,1055 3.077,1056 11.324,1057 20.153,1058 1.327,1059 12.482,1060 15.675,1061 2.418,1062 24.717,1063 12.26,1064 2.762,1065 10.291,1066 22.009,1067 4.639,1068 13.559,1069 17.112,1070 0.312,1071 27.063,1072 13.32,1073 2.643,1074 8.98,1075 23.872,1076 4.006,1077 14.714,1078 18.639,1079 2.619,1080 29.471,1081 14.457,1082 2.451,1083 8.139,1084 25.741,1085 3.58,1086 15.829,1087 20.12,1088 0.273,1089 31.848,1090 15.554,1091 2.076,1092 7.098,1093 27.615,1094 3.265,1095 16.978,1096 21.641,1097 2.839,1098 34.253,1099 16.684,1100 1.96,1101 6.377,1102 29.494,1103 2.932,1104 18.112,1105 23.144,1106 0.236,1107 36.646,1108 17.798,1109 15169,1110 26045,1111 24.274,1112 37.938,1113 55.323,1114 56.783,1115 56.652,1116 54.708,1117 54.762,1118 69.687,1119 6.439,1120 162.273,1121 52.776,1122 5.644,1123 5.522,1124 6.381,1125 5.301,1126 5.24,1127 7.639,1128 2.302,1129 18.82,1130 5.166,1131 15.772,1132 1.537,1133 1.577,1134 1.574,1135 1.52,1136 1.521,1137 1.936,1138 0.179,1139 4.508,1140 1.466,1141 4.151,1142 4.181,1143 4.122,1144 4.063,1145 8.239,1146 4.073,1147 4.014,1148 4.037,1149 3.959,1150 3.943,1151 8.161,1152 3.943,1153 3.817,1154 3.873,1155 3.725,1156 3.683,1157 7.437,1158 3.685,1159 3.583,1160 3.618,1161 3.5,1162 3.424,1163 4.913,1164 3.432,1165 3.443,1166 3.496,1167 3.373,1168 3.274,1169 4.889,1170 3.284,1171 3.341,1172 3.411,1173 3.194,1174 3.183,1175 4.747,1176 3.177,1177 3.223,1178 3.288,1179 3.099,1180 2.988,1181 4.417,1182 3.008,1183 3.044,1184 3.132,1185 2.941,1186 2.879,1187 4.37,1188 2.862,1189 0.13,1190 0.098,1191 0.19,1192 0.117,1193 0.09,1194 4.679,1195 0.129,1196 3.522,1197 0.032,1198 6.844,1199 0.315,1200 4.216,1201 0.088,1202 3.24,1203 4.639,1204 1.151,1205 11.324,1206 3.166,1207 1.987,1208 1.966,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.947,1214 1.927,1215 2.04,1216 2.038,1217 1.302,1218 2.037,1219 1.814,1220 1.769,1221 1.936,1222 1.975,1223 1.12,1224 1.965,1225 1.562,1226 1.518,1227 1.756,1228 1.752,1229 1.033,1230 1.749,1231 1.439,1232 1.384,1233 1.663,1234 1.666,1235 0.859,1236 1.659,1237 1.344,1238 1.275,1239 1.568,1240 1.549,1241 0.7,1242 1.573,1243 1.137,1244 1.081,1245 1.43,1246 1.436,1247 0.665,1248 1.425,1249 1.08,1250 0.998,1251 1.36,1252 1.298,1253 0.456,1254 1.348,1255 4.29,1257 5.638,1258 2.398,1259 7.186,1260 4.727,1261 8.824,1262 6.862,1263 10.507,1267 27.507,1269 5.409,1271 5.715,1273 6.016,1275 0.012,1276 2.369,1280 36.582,1281 91.527,1282 225.855,1283 294.865,1284 316.475,1285 316.475,1286 316.475,1287 65.894,1288 8.497,1289 71.35,1290 71.35,1291 29,1292 12.842,1293 4.248,1294 3.459,1295 46.136,1296 160,1297 136,1298 0.141,1299 218.037,1300 385.52,1301 523.771,1302 69841,1303 3.5,1304 22.242,1305 0.695,1306 0.552,1307 20.501,1308 17.666,1309 15.508,1310 0.431,1311 0.303,1312 10.761,1313 14.88,1314 10.597,1315 8.632,1316 14.687,1317 10.921,1318 14.273,1319 0.274,1320 0.162,1321 13.24,1322 8.442,1323 12.684,1324 0.176,1325 0.091,1326 11.611,1327 6.557,1328 10.388,1329 0.111,1330 0.051,1331 9.816,1332 4.792,1333 8.545,1334 0.071,1335 0.029,1336 8.137,1337 3.462,1338 0.228,1339 97.621,1340 0.203,1341 30.36,1342 0.366,1343 176,1344 586.984,1345 194.248,1346 513.758,1347 686.59,1348 480,1349 212,1350 489.778,1351 230.813,1352 484.471,1353 719.12,1354 458,1355 7.244} {0 CHEMBL83112,1 1.534,2 13.387,3 3.526,4 12.432,5 120.854,6 7.36,7 0.457,8 4.148,9 4.268,10 3.709,11 3.711,12 5.214,13 3.689,14 4.718,15 4.883,16 4.09,17 4.144,18 5.776,19 4.1,20 5.002,21 5.203,22 4.168,23 4.314,24 6.015,25 4.233,26 5.084,27 5.305,28 4.079,29 4.316,30 6.062,31 4.203,32 5.106,33 5.373,34 3.903,35 4.229,36 5.915,37 4.079,38 5.006,39 5.276,40 3.851,41 4.088,42 5.852,43 3.963,44 4.882,45 5.13,46 3.773,47 3.999,48 5.872,49 3.885,50 4.8,51 5.062,52 3.545,53 3.924,54 5.687,55 3.767,56 0.033,57 0.887,58 11.83,59 5.418,60 9.606,61 6.947,62 0.212,63 1.472,64 22.979,65 9.449,66 29.843,67 12.318,68 0.343,69 1.885,70 32.472,71 12.973,72 47.216,73 17.115,74 0.343,75 1.99,76 36.037,77 14.235,78 55.081,79 18.997,80 0.33,81 1.872,82 38.763,83 14.405,84 53.135,85 20.334,86 0.398,87 1.679,88 35.642,89 12.245,90 53.784,91 17.317,92 0.547,93 1.565,94 31.369,95 10.847,96 70.88,97 14.627,98 0.407,99 1.451,100 28.901,101 10.554,102 56.272,103 14.461,104 11,105 50,106 0.249,107 0.632,108 0.836,109 0.903,110 0.903,111 0.903,112 3.471,113 0.927,114 -4.25,115 -4.19,116 -3.96,119 43.9,121 3,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 14,172 7,173 1,174 1,176 3,178 16,180 1,182 5,186 5,189 12,191 2,192 1,193 6,197 5,199 10,201 2,203 6,208 2,211 5,213 2,215 6,218 1,222 5,225 1,226 4,228 1,229 1,231 1,233 6,235 1,237 2,242 1,244 10,248 1,249 1,251 1,252 1,256 9,259 1545,260 21.223,261 21.223,262 21.223,263 21.223,264 21.223,265 18.956,266 21.562,267 12.308,268 21.551,269 17.259,270 17.259,271 17.259,272 17.259,273 17.259,274 13.777,275 22.352,276 5.787,277 17.801,278 4.299,279 1.945,280 0.693,281 0.281,282 0.281,283 0.281,284 4.183,288 1,289 1,290 925,291 3.162,294 69.606,295 344.706,298 131.253,299 141.692,302 2.052,303 31.309,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 415,316 4.646,317 3.522,318 6.799,319 4.188,320 3.205,321 4.6,322 1.151,323 11.189,324 3.15,325 4.384,326 3.369,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 4.007,335 3.323,336 6.017,337 3.659,338 2.687,339 3.435,340 0.916,341 8.484,342 2.635,343 3.931,344 3.013,345 5.903,346 3.623,347 2.632,348 3.265,349 0.172,350 8.139,351 2.573,352 3.522,353 2.721,354 5.37,355 3.315,356 2.377,357 2.719,359 6.968,360 2.222,361 3.255,362 2.472,363 5.147,364 2.974,365 2.003,366 2.364,368 6.016,369 1.935,370 3.115,371 2.188,372 5.001,373 2.78,374 1.821,375 2.32,377 5.468,378 1.734,379 3.047,380 1.979,381 4.191,382 2.53,383 1.569,384 2.196,386 3.823,387 1.507,388 2.881,389 1.792,390 4.118,391 2.521,392 1.548,393 1.966,395 3.673,396 1.498,397 2.609,398 1.549,399 4.046,400 2.184,401 1.182,402 1.597,404 3.088,405 1.171,406 2.563,407 1.423,408 3.783,409 2.099,410 1.127,411 1.549,413 2.829,414 1.089,415 2.239,416 1.265,417 3.446,418 1.984,419 1,420 1.191,422 2.382,423 0.983,424 2.202,425 1.136,426 3.414,427 1.973,428 1,429 1.091,431 2.275,432 0.967,433 2.055,434 0.963,435 3.299,436 1.721,437 0.786,438 1.021,440 1.845,441 0.728,442 1.66,443 0.756,444 3.144,445 1.508,446 0.544,447 0.597,449 1.323,450 0.521,451 14.652,452 0.473,453 0.747,454 0.024,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 28.506,462 0.92,463 33.348,464 0.585,465 27.68,466 0.893,467 7.343,468 0.237,469 7.754,470 0.25,471 0.07,473 0.369,477 1,479 0.707,480 1.062,481 0.78,482 1.004,483 0.594,484 0.916,485 0.863,486 0.972,487 0.898,488 0.968,489 0.516,490 0.941,491 0.917,492 0.981,493 0.984,494 1.041,495 0.751,496 1.033,497 0.902,498 1.12,499 1.097,500 1.189,501 0.847,502 1.186,503 0.694,504 0.953,505 0.958,506 1.064,507 0.614,508 1.061,509 0.856,510 0.862,511 0.932,512 0.93,513 0.664,514 0.939,515 1.129,516 0.962,517 1.104,518 0.958,519 1.125,520 1.012,521 0.972,522 0.938,523 1.145,524 1.051,525 1.05,526 1.117,527 5.5,528 0.144,529 4.222,530 1.91,531 1.712,532 0.966,533 0.573,534 0.346,535 0.232,536 0.218,537 15172,538 39685,539 2.16,540 45.6,542 16,543 1,545 3,547 4,548 2,550 1.73,551 2.044,552 3.675,553 0.812,555 1,559 87.412,560 1.534,561 3.888,562 5.14,563 5.552,564 5.552,565 5.552,566 3.127,567 4.632,568 4.928,569 3.884,570 1806.04,571 8.568,572 26673.7,574 1,577 332.475,578 1.332,579 4.896,580 0.157,581 0.006,582 0.084,583 0.037,584 0.038,585 0.026,586 0.016,587 0.011,588 0.009,589 0.009,590 0.394,591 0.17,592 0.88,593 0.646,594 163.829,595 -0.047,596 -0.003,597 0.044,598 0.038,599 -0.043,600 0.058,601 -0.041,602 0.027,603 -0.007,604 0.042,605 0.07,606 0.028,607 -0.032,608 -0.007,609 -0.051,610 -0.031,611 0.025,612 -0.044,613 -0.038,614 -0.153,615 -0.15,616 -0.184,617 -0.024,618 -0.19,619 0.001,620 -0.109,621 0.009,622 -0.084,623 -0.009,624 -0.045,625 -0.022,626 -0.035,627 0.063,628 0.015,629 -0.007,630 0.047,631 -0.018,632 0.019,633 -0.089,634 0.004,635 -0.054,636 -0.043,637 -0.05,638 0.042,639 -0.151,640 -0.065,641 -0.103,642 -0.116,643 2.056,644 5.979,645 0.806,646 31.888,647 1.001,648 1.127,649 3.023,650 9.142,651 0.667,652 3.584,653 3.932,654 4.248,655 4.522,656 4.762,657 4.86,658 4.99,659 5.069,660 5.153,661 5.198,662 7.905,663 0.635,664 419.54,665 3.584,666 5.142,667 6.014,668 6.903,669 7.789,670 8.682,671 9.572,672 10.467,673 11.36,674 12.255,675 5.3,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,713 1,714 57,716 18,717 2,718 35,720 61,721 25,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 26,765 5,766 3,767 6,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 3.5,850 1,851 1,854 15.167,855 10.01,856 6.694,857 3.537,858 3.59,859 1.427,860 1.035,861 5.554,862 11.991,863 3.829,864 4.44,865 5.057,866 5.645,867 6.148,868 6.461,869 6.793,870 7.042,871 7.088,872 7.246,873 0.889,874 52,875 11.536,877 5.071,878 7.753,879 22.315,881 19.224,883 2.253,884 69.833,887 1,888 270.735,889 128.365,890 52.807,892 36.145,893 14.96,895 128.365,896 306.88,897 67.767,899 51.41,900 75.381,901 40.849,902 47.532,903 28.875,904 258.964,906 270.735,907 181.172,908 51.105,911 215.069,912 95.772,913 11,915 71.32,916 100.376,917 9.476,919 285.695,920 88.952,921 128.365,924 270.735,925 52.984,926 78.505,927 16.786,928 84.002,929 270.735,930 103.912,931 128.365,933 0.589,934 0.353,935 0.19,936 0.103,937 26,938 11,939 0.082,940 5,941 2,942 1.16,943 4.34,944 284.937,945 0.16,946 25,947 151.58,951 20.289,952 8.486,953 4.001,954 1.524,955 87.126,956 12.833,958 3.079,961 3.789,963 49.683,964 503.012,965 45,970 11.46,972 2.256,974 0.881,975 57.076,976 64.236,977 0.263,978 0.667,979 0.881,980 0.952,981 0.952,982 0.952,983 5.088,984 1.569,985 6.004,986 5.468,987 4.615,988 5.127,989 1.956,990 6.838,991 4.559,992 6.293,993 1.548,994 7.578,995 3.823,996 4.205,997 4.977,998 0.325,999 7.791,1000 4.131,1001 7.61,1002 1.182,1003 9.253,1004 3.673,1005 6.232,1006 7.348,1007 1.989,1008 10.899,1009 6.137,1010 8.963,1011 1.127,1012 10.988,1013 3.088,1014 6.661,1015 8.08,1016 0.393,1017 12.694,1018 6.554,1019 10.352,1020 1,1021 12.761,1022 2.829,1023 8.144,1024 9.922,1025 2.094,1026 15.317,1027 8.019,1028 11.766,1029 1,1030 14.561,1031 2.382,1032 8.953,1033 11.064,1034 0.384,1035 17.45,1036 8.818,1037 13.2,1038 0.786,1039 16.38,1040 2.275,1041 10.221,1042 12.7,1043 2.241,1044 19.915,1045 10.07,1046 3.205,1047 0.544,1048 18.213,1049 1.845,1050 11.207,1051 14.035,1052 0.351,1053 22.193,1054 11.045,1055 3.077,1056 11.189,1057 20.057,1058 1.323,1059 12.39,1060 15.589,1061 2.418,1062 24.606,1063 12.213,1064 2.687,1065 10.291,1066 21.91,1067 4.6,1068 13.458,1069 17.017,1070 0.312,1071 26.946,1072 13.269,1073 2.632,1074 8.484,1075 23.77,1076 4.006,1077 14.611,1078 18.541,1079 2.619,1080 29.344,1081 14.406,1082 2.377,1083 8.139,1084 25.636,1085 3.435,1086 15.717,1087 20.013,1088 0.273,1089 31.713,1090 15.5,1091 2.003,1092 6.968,1093 27.508,1094 3.265,1095 16.861,1096 21.527,1097 2.839,1098 34.108,1099 16.628,1100 1.821,1101 6.016,1102 29.383,1103 2.719,1104 17.987,1105 23.022,1106 0.236,1107 36.492,1108 17.74,1109 13961,1110 22694,1111 23.868,1112 38,1113 53.664,1114 54.413,1115 54.701,1116 53.186,1117 53.118,1118 67.836,1119 6.439,1120 155.589,1121 51.498,1122 5.611,1123 5.522,1124 6.335,1125 5.272,1126 5.205,1127 7.6,1128 2.302,1129 18.519,1130 5.15,1131 13.395,1132 1.533,1133 1.555,1134 1.563,1135 1.52,1136 1.518,1137 1.938,1138 0.184,1139 4.445,1140 1.471,1141 4.147,1142 4.179,1143 4.112,1144 4.063,1145 8.201,1146 4.071,1147 4.014,1148 4.037,1149 3.959,1150 3.943,1151 7.437,1152 3.943,1153 3.815,1154 3.872,1155 3.719,1156 3.683,1157 4.927,1158 3.684,1159 3.582,1160 3.617,1161 3.496,1162 3.425,1163 4.899,1164 3.431,1165 3.43,1166 3.488,1167 3.329,1168 3.275,1169 4.747,1170 3.279,1171 3.332,1172 3.405,1173 3.182,1174 3.184,1175 4.429,1176 3.174,1177 3.223,1178 3.288,1179 3.099,1180 2.988,1181 4.376,1182 3.008,1183 3.044,1184 3.132,1185 2.938,1186 2.879,1187 4.249,1188 2.862,1189 0.133,1190 0.101,1191 0.194,1192 0.12,1193 0.092,1194 4.646,1195 0.131,1196 3.522,1197 0.033,1198 6.799,1199 0.32,1200 4.188,1201 0.09,1202 3.205,1203 4.6,1204 1.151,1205 11.189,1206 3.15,1207 1.987,1208 1.966,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.951,1214 1.93,1215 2.047,1216 2.037,1217 1.303,1218 2.041,1219 1.817,1220 1.771,1221 1.958,1222 1.974,1223 1.127,1224 1.971,1225 1.562,1226 1.518,1227 1.757,1228 1.752,1229 1.037,1230 1.75,1231 1.439,1232 1.384,1233 1.663,1234 1.666,1235 0.859,1236 1.659,1237 1.344,1238 1.275,1239 1.568,1240 1.549,1241 0.702,1242 1.574,1243 1.137,1244 1.082,1245 1.43,1246 1.436,1247 0.668,1248 1.425,1249 1.082,1250 1,1251 1.36,1252 1.298,1253 0.456,1254 1.348,1255 4.263,1257 5.602,1258 2.398,1259 7.143,1260 4.727,1261 8.774,1262 6.862,1263 10.451,1267 13.979,1269 5.419,1271 6.104,1273 6.037,1275 0.049,1276 2.425,1280 36.199,1281 87.412,1282 221.607,1283 292.965,1284 316.475,1285 316.475,1286 316.475,1287 53.77,1288 8.402,1289 71.35,1290 71.35,1291 29,1292 12.781,1293 4.248,1294 3.459,1295 44.027,1296 151,1297 127,1298 0.142,1299 216.839,1300 379.45,1301 520.847,1302 62535,1303 1.8,1304 21.372,1305 0.689,1306 0.56,1307 20.501,1308 17.365,1309 15.097,1310 0.431,1311 0.309,1312 10.681,1313 14.572,1314 10.496,1315 8.571,1316 14.687,1317 10.815,1318 13.767,1319 0.275,1320 0.166,1321 13.24,1322 8.321,1323 12.084,1324 0.175,1325 0.094,1326 11.611,1327 6.476,1328 10.191,1329 0.112,1330 0.052,1331 9.816,1332 4.771,1333 8.338,1334 0.072,1335 0.03,1336 8.137,1337 3.444,1338 0.23,1339 94.291,1340 0.205,1341 29.574,1342 0.371,1343 170,1344 492.872,1345 184.417,1346 451.638,1347 614.54,1348 424,1349 204,1350 445.445,1351 218.4,1352 446.682,1353 661.15,1354 423,1355 7.585} {0 CHEMBL83426,1 1.371,2 13.065,3 3.363,4 11.306,5 125.84,6 6.993,7 0.583,8 4.189,9 4.326,10 3.735,11 3.738,12 5.17,13 3.707,14 4.772,15 4.965,16 4.112,17 4.201,18 5.637,19 4.144,20 5.044,21 5.269,22 4.069,23 4.366,24 5.803,25 4.241,26 5.188,27 5.463,28 3.99,29 4.372,30 5.878,31 4.208,32 5.146,33 5.438,34 3.968,35 4.294,36 5.829,37 4.141,38 5.029,39 5.292,40 3.977,41 4.26,42 5.766,43 4.129,44 5.018,45 5.28,46 3.902,47 4.215,48 5.777,49 4.068,50 4.967,51 5.26,52 3.688,53 4.077,54 5.668,55 3.909,56 0.08,57 0.946,58 13.263,59 5.2,60 12.606,61 7.45,62 0.258,63 1.6,64 25.348,65 8.845,66 20.058,67 13.01,68 0.249,69 1.927,70 33.936,71 13.032,72 22.957,73 18.988,74 0.269,75 2.06,76 40.926,77 15.312,78 31.692,79 22.749,80 0.357,81 1.955,82 40.036,83 14.243,84 31.737,85 21.385,86 0.252,87 1.815,88 34.623,89 12.524,90 27.398,91 18.688,92 0.312,93 1.795,94 34.3,95 12.452,96 30.66,97 18.496,98 0.317,99 1.629,100 33.581,101 11.377,102 31.203,103 17.285,104 2,105 52,106 0.22,107 0.57,108 0.789,109 0.86,110 0.868,111 0.868,112 3.472,113 0.931,114 -5.14,115 -5.04,116 -4.71,119 42.4,121 2,122 1,124 1,125 3,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 7,176 3,178 11,181 1,182 6,186 3,189 9,193 8,199 5,203 9,206 2,208 1,211 6,215 6,220 1,222 6,225 1,226 7,229 2,233 6,237 3,240 1,244 5,248 2,249 3,256 5,259 1621,260 21.618,261 21.618,262 21.618,263 21.618,264 21.618,265 19.179,266 25.992,267 12.686,268 22.034,269 17.842,270 17.842,271 17.842,272 17.842,273 17.842,274 14.279,275 34.582,276 6.114,277 18.532,278 4.512,279 2.34,280 0.975,281 0.534,282 0.487,283 0.487,284 4.196,288 1,289 1,290 929,291 2.739,294 285.68,295 187.016,297 111.418,298 125.097,302 2.2,303 12.1,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 65,315 405,316 4.573,317 3.433,318 6.725,319 4.195,320 3.233,321 4.519,322 0.916,323 10.934,324 3.121,325 4.219,326 3.19,327 6.561,328 4.077,329 3.102,330 3.732,331 0.8,332 10.418,333 3.021,334 4.124,335 2.95,336 6.097,337 3.694,338 2.756,339 3.46,340 0.172,341 8.896,342 2.589,343 3.915,344 2.862,345 5.713,346 3.588,347 2.621,348 3.207,350 7.884,351 2.543,352 3.5,353 2.489,354 5.427,355 3.29,356 2.321,357 2.813,359 7.007,360 2.239,361 3.328,362 2.174,363 5.118,364 2.96,365 1.994,366 2.602,368 5.971,369 1.919,370 3.232,371 1.871,372 4.859,373 2.74,374 1.786,375 2.405,377 5.22,378 1.7,379 2.935,380 1.799,381 4.773,382 2.683,383 1.719,384 2.065,386 4.934,387 1.653,388 2.745,389 1.688,390 4.512,391 2.573,392 1.599,393 1.84,395 4.651,396 1.554,397 2.659,398 1.481,399 4.108,400 2.364,401 1.377,402 1.67,404 3.35,405 1.357,406 2.605,407 1.275,408 3.587,409 2.205,410 1.235,411 1.617,413 3.009,414 1.196,415 2.5,416 1,417 3.472,418 2,419 1,420 1.5,422 2.159,423 1,424 2.381,425 0.975,426 3.331,427 1.887,428 0.926,429 1.329,431 2.136,432 0.888,433 2.118,434 0.759,435 3.247,436 1.616,437 0.662,438 0.927,440 1.67,441 0.63,442 2.081,443 0.618,444 3.201,445 1.518,446 0.618,447 0.908,449 1.372,450 0.556,451 14.9,452 0.481,453 0.688,454 0.022,455 39.25,456 1.266,457 18,458 0.581,459 21.25,460 0.685,461 28.128,462 0.907,463 32.5,464 0.551,465 26.731,466 0.862,467 7.54,468 0.243,469 7.702,470 0.248,471 0.034,473 0.349,479 0.888,480 1.379,481 0.82,482 1.093,483 0.684,484 0.974,485 1.303,486 1.011,487 0.986,488 0.899,489 0.81,490 0.908,491 0.952,492 1.118,493 1.148,494 1.194,495 0.75,496 1.192,497 0.778,498 1.052,499 0.993,500 1.092,501 0.703,502 1.07,503 0.81,504 0.85,505 0.864,506 0.873,507 0.772,508 0.874,509 0.939,510 1.015,511 0.953,512 0.99,513 0.856,514 0.976,515 0.843,516 1.07,517 1.05,518 1.125,519 0.934,520 1.112,521 1.073,522 0.918,523 1.034,524 0.961,525 1.156,526 0.988,527 5.5,528 0.127,529 3.111,530 2.306,531 1.104,532 1.056,533 0.667,534 0.425,535 0.267,536 0.212,537 15522,538 32920,539 2.258,540 47.5,542 19,543 1,544 2,545 1,547 4,548 1,550 1.733,551 2.188,552 3.658,553 -0.393,555 1,559 80.864,560 1.371,561 3.543,562 4.908,563 5.349,564 5.395,565 5.395,566 3.155,567 4.478,568 4.922,569 3.84,570 1785.82,571 8.58,572 25704.2,574 1,577 347.076,578 1.123,579 4.916,580 0.153,581 0.005,582 0.06,583 0.049,584 0.026,585 0.025,586 0.016,587 0.011,588 0.009,589 0.008,590 0.362,591 0.33,592 0.88,593 0.32,594 162.502,595 0.134,596 -0.18,597 0.1,598 -0.058,599 0.226,600 0.004,601 -0.088,602 0.138,603 -0.023,604 0.082,605 0.034,606 0.044,607 -0.094,608 -0.092,609 -0.2,610 -0.176,611 -0.024,612 -0.195,613 0.003,614 -0.126,615 -0.02,616 -0.084,617 0.07,618 -0.059,619 0.089,620 0.068,621 0.131,622 0.111,623 0.083,624 0.123,625 -0.037,626 -0.047,627 0.024,628 0.006,629 0.003,630 0.018,631 0.091,632 -0.099,633 -0.071,634 -0.137,635 -0.01,636 -0.124,637 -0.057,638 0.017,639 -0.031,640 0.002,641 -0.153,642 -0.009,643 0.73,644 0.967,645 0.903,646 35.646,647 0.989,648 1.128,649 3.911,650 15.296,651 0.668,652 3.611,653 3.97,654 4.304,655 4.625,656 4.804,657 4.97,658 5.198,659 5.357,660 5.489,661 5.635,662 7.576,663 0.626,664 412.59,665 3.611,666 5.176,667 6.057,668 6.956,669 7.85,670 8.755,671 9.657,672 10.566,673 11.472,674 12.384,675 10.2,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 59,716 21,717 2,718 36,720 64,721 25,722 16,723 4,724 8,730 6,731 8,740 3,741 1,743 4,745 16,746 9,747 1,761 1,764 28,765 4,766 1,767 6,773 6,777 0.667,788 1,789 2,792 4,793 2,795 1,796 1,815 2,819 4,823 1,827 31,833 5,837 3,838 2,844 1,854 14.167,855 10.667,856 6.583,857 3.594,858 3.625,859 1.417,860 1.036,861 4.811,862 12.326,863 3.861,864 4.466,865 5.067,866 5.661,867 6.09,868 6.444,869 6.919,870 7.361,871 7.61,872 7.906,873 0.889,874 47,875 11.463,877 4.977,878 7.382,879 22.947,881 20.176,883 1.882,884 58.333,887 1,888 317.82,889 135.722,890 58.259,895 135.722,896 317.82,897 58.259,898 8.396,899 11.386,900 84.857,901 74.105,902 36.634,903 13.915,904 282.506,906 317.82,907 193.981,911 258.964,912 58.856,915 53.557,916 107.099,917 33.326,919 317.82,920 58.259,921 135.722,924 317.82,925 25.231,926 118.639,927 16.786,928 33.326,929 317.82,930 58.259,931 135.722,933 0.588,934 0.35,935 0.196,936 0.098,937 29,938 11,939 0.078,940 5,941 2,942 1.143,943 4.453,944 296.024,945 0.143,946 28,947 145.58,951 19.091,952 7.812,953 3.56,954 2.504,955 39.575,956 23.086,957 7.882,958 3.467,961 3.929,962 1.962,963 16.786,964 511.801,965 46.5,975 58.33,976 66.557,977 0.233,978 0.602,979 0.834,980 0.909,981 0.917,982 0.917,983 5.119,984 1.719,985 6.043,986 5.22,987 4.654,988 5.153,989 1.242,990 6.88,991 4.581,992 6.308,993 1.599,994 7.61,995 4.934,996 4.205,997 4.832,998 0.57,999 7.779,1000 4.09,1001 7.606,1002 1.377,1003 9.277,1004 4.651,1005 6.271,1006 7.317,1007 0.883,1008 10.917,1009 6.128,1010 8.94,1011 1.235,1012 11.002,1013 3.35,1014 6.698,1015 7.917,1016 0.581,1017 12.676,1018 6.51,1019 10.309,1020 1,1021 12.766,1022 3.009,1023 8.19,1024 9.817,1025 0.68,1026 15.303,1027 7.978,1028 11.703,1029 0.926,1030 14.557,1031 2.159,1032 9.011,1033 10.866,1034 0.515,1035 17.414,1036 8.757,1037 13.116,1038 0.662,1039 16.367,1040 2.136,1041 10.283,1042 12.525,1043 0.541,1044 19.87,1045 10.005,1046 3.233,1047 0.618,1048 18.192,1049 1.67,1050 11.283,1051 13.801,1052 0.441,1053 22.127,1054 10.967,1055 3.102,1056 10.934,1057 20.028,1058 1.372,1059 12.472,1060 15.36,1061 0.438,1062 24.524,1063 12.129,1064 2.756,1065 10.418,1066 21.874,1067 4.519,1068 13.553,1069 16.75,1070 0.373,1071 26.845,1072 13.175,1073 2.621,1074 8.896,1075 23.727,1076 3.732,1077 14.712,1078 18.269,1079 0.358,1080 29.223,1081 14.306,1082 2.321,1083 7.884,1084 25.587,1085 3.46,1086 15.83,1087 19.716,1088 0.314,1089 31.572,1090 15.39,1091 1.994,1092 7.007,1093 27.451,1094 3.207,1095 16.981,1096 21.222,1097 0.296,1098 33.945,1099 16.511,1100 1.786,1101 5.971,1102 29.32,1103 2.813,1104 18.116,1105 22.697,1106 0.264,1107 36.307,1108 17.614,1109 13860,1110 20354,1111 25.255,1112 39.41,1113 55.584,1114 54.864,1115 55.043,1116 54.829,1117 54.872,1118 70.219,1119 3.778,1120 161.809,1121 52.861,1122 5.573,1123 5.433,1124 6.527,1125 5.256,1126 5.233,1127 7.519,1128 1.605,1129 18.103,1130 5.121,1131 7.017,1132 1.544,1133 1.524,1134 1.529,1135 1.523,1136 1.524,1137 1.951,1138 0.105,1139 4.495,1140 1.468,1141 4.163,1142 4.203,1143 4.12,1144 4.069,1145 5.135,1146 4.077,1147 4,1148 4.054,1149 3.916,1150 3.886,1151 4.928,1152 3.885,1153 3.877,1154 3.922,1155 3.806,1156 3.789,1157 4.756,1158 3.785,1159 3.816,1160 3.886,1161 3.767,1162 3.573,1163 4.454,1164 3.615,1165 3.484,1166 3.558,1167 3.362,1168 3.317,1169 4.25,1170 3.321,1171 3.304,1172 3.372,1173 3.201,1174 3.135,1175 4.037,1176 3.142,1177 3.15,1178 3.252,1179 2.939,1180 2.941,1181 3.798,1182 2.925,1183 3.083,1184 3.16,1185 2.92,1186 2.924,1187 3.698,1188 2.913,1189 0.127,1190 0.095,1191 0.187,1192 0.117,1193 0.09,1194 4.573,1195 0.126,1196 3.433,1197 0.025,1198 6.725,1199 0.304,1200 4.195,1201 0.087,1202 3.233,1203 4.519,1204 0.916,1205 10.934,1206 3.121,1207 1.96,1208 1.936,1209 2.046,1210 2.052,1211 1.352,1212 2.05,1213 1.913,1214 1.882,1215 2.038,1216 2.007,1217 1.242,1218 2.021,1219 1.719,1220 1.665,1221 1.909,1222 1.891,1223 1.196,1224 1.899,1225 1.617,1226 1.559,1227 1.828,1228 1.784,1229 1.118,1230 1.806,1231 1.497,1232 1.427,1233 1.706,1234 1.72,1235 0.939,1236 1.719,1237 1.4,1238 1.328,1239 1.601,1240 1.653,1241 0.727,1242 1.637,1243 1.327,1244 1.256,1245 1.507,1246 1.542,1247 0.581,1248 1.547,1249 1.078,1250 0.982,1251 1.387,1252 1.442,1253 0.547,1254 1.379,1255 4.29,1257 5.638,1258 3.714,1259 7.163,1260 6.075,1261 8.77,1262 8.153,1263 10.427,1265 2.332,1271 5.836,1275 2.05,1276 5.284,1280 36.923,1281 80.864,1282 209.022,1283 289.566,1284 315.566,1285 318.321,1286 318.321,1287 35.119,1288 8.702,1289 52.98,1290 52.98,1291 32,1292 12.899,1293 4.459,1294 3.524,1295 39.758,1296 141,1297 145,1298 0.137,1299 220.638,1300 365.54,1301 530.116,1302 84749,1304 20.786,1305 0.671,1306 0.576,1307 20.786,1308 17.855,1309 15.242,1310 0.423,1311 0.31,1312 11.039,1313 14.738,1314 10.771,1315 8.882,1316 15.242,1317 11.176,1318 13.971,1319 0.269,1320 0.177,1321 13.971,1322 9.179,1323 12.537,1324 0.172,1325 0.1,1326 12.537,1327 7.328,1328 10.961,1329 0.109,1330 0.056,1331 10.961,1332 5.703,1333 8.385,1334 0.069,1335 0.033,1336 8.385,1337 3.981,1338 0.218,1339 94.717,1340 0.199,1341 29.452,1342 0.365,1343 176,1344 388.558,1345 187.518,1346 388.271,1347 554.11,1348 368,1349 213,1350 429.828,1351 226.988,1352 441.065,1353 643.34,1354 414,1355 9.174} {0 CHEMBL83617,1 1.534,2 13.903,3 3.526,4 12.432,5 120.854,6 7.36,7 0.457,8 4.148,9 4.268,10 3.709,11 3.711,12 5.214,13 3.689,14 4.718,15 4.883,16 4.09,17 4.144,18 5.785,19 4.1,20 5.002,21 5.203,22 4.142,23 4.314,24 5.991,25 4.231,26 5.079,27 5.301,28 4.055,29 4.318,30 6.02,31 4.194,32 5.106,33 5.373,34 3.93,35 4.228,36 5.935,37 4.084,38 5.006,39 5.276,40 3.821,41 4.089,42 5.838,43 3.957,44 4.871,45 5.123,46 3.764,47 4.001,48 5.821,49 3.878,50 4.8,51 5.061,52 3.577,53 3.922,54 5.682,55 3.776,56 0.033,57 0.887,58 11.83,59 5.418,60 9.514,61 6.947,62 0.212,63 1.472,64 22.979,65 9.449,66 31.599,67 12.318,68 0.304,69 1.856,70 32.461,71 12.988,72 46.593,73 17.026,74 0.381,75 1.932,76 35.707,77 14.178,78 52.372,79 19.349,80 0.307,81 1.888,82 38.7,83 14.408,84 51.032,85 20.336,86 0.421,87 1.663,88 35.705,89 12.242,90 55.468,91 17.314,92 0.477,93 1.483,94 30.671,95 10.794,96 60.327,97 15.028,98 0.322,99 1.454,100 28.765,101 10.575,102 51.808,103 14.377,104 11,105 50,106 0.249,107 0.632,108 0.836,109 0.903,110 0.903,111 0.903,112 3.471,113 0.927,114 -4.25,115 -4.19,116 -3.96,119 43.9,121 3,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 7,173 1,174 1,176 4,178 17,180 1,182 5,186 4,189 13,191 2,192 1,193 6,197 5,199 10,201 2,203 6,208 2,211 6,213 2,215 6,218 1,222 3,225 1,226 5,228 1,229 1,231 1,233 6,235 1,237 1,242 1,244 10,248 1,249 1,251 1,252 1,256 10,259 1562,260 21.17,261 21.17,262 21.17,263 21.17,264 21.17,265 18.924,266 21.562,267 12.284,268 21.513,269 17.275,270 17.275,271 17.275,272 17.275,273 17.275,274 13.798,275 22.352,276 5.816,277 17.831,278 4.299,279 1.945,280 0.693,281 0.281,282 0.281,283 0.281,284 4.183,288 1,289 1,290 960,291 3.162,294 70.422,295 346.178,298 131.719,299 142.42,302 2.054,303 30.56,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 67,315 431,316 4.604,317 3.522,318 6.712,319 4.153,320 3.165,321 4.54,322 1.151,323 10.913,324 3.127,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.962,335 3.247,336 5.903,337 3.649,338 2.662,339 3.386,340 0.916,341 8.14,342 2.634,343 3.93,344 2.962,345 5.786,346 3.587,347 2.613,348 3.265,349 0.172,350 7.935,351 2.535,352 3.57,353 2.765,354 5.339,355 3.302,356 2.362,357 2.87,359 6.896,360 2.212,361 3.352,362 2.481,363 5.137,364 3.013,365 2.056,366 2.461,368 6.012,369 1.958,370 3.154,371 2.351,372 4.96,373 2.914,374 1.959,375 2.288,377 5.723,378 1.852,379 3.013,380 1.979,381 4.514,382 2.533,383 1.57,384 2.179,386 4.337,387 1.508,388 2.881,389 1.792,390 4.189,391 2.502,392 1.529,393 1.968,395 3.822,396 1.482,397 2.677,398 1.578,399 4.026,400 2.201,401 1.222,402 1.711,404 3.236,405 1.191,406 2.595,407 1.422,408 3.783,409 2.168,410 1.182,411 1.564,413 2.831,414 1.15,415 2.217,416 1.332,417 3.446,418 1.984,419 1.011,420 1.182,422 2.388,423 0.983,424 2.104,425 1.16,426 3.414,427 1.981,428 1,429 1.043,431 2.275,432 0.974,433 2.022,434 0.781,435 3.229,436 1.6,437 0.637,438 0.855,440 1.517,441 0.611,442 1.659,443 0.645,444 3.135,445 1.473,446 0.509,447 0.588,449 1.243,450 0.488,451 14.652,452 0.473,453 0.763,454 0.025,455 37,456 1.194,457 17,458 0.548,459 20,460 0.645,461 28.403,462 0.916,463 33.348,464 0.585,465 27.59,466 0.89,467 7.328,468 0.236,469 7.752,470 0.25,471 0.07,473 0.369,477 1,479 0.707,480 1.062,481 0.78,482 1.004,483 0.595,484 0.916,485 0.863,486 0.972,487 0.898,488 0.968,489 0.5,490 0.941,491 0.99,492 0.994,493 1.029,494 1.04,495 0.797,496 1.043,497 0.715,498 1.003,499 1.069,500 1.184,501 0.674,502 1.197,503 0.677,504 0.981,505 0.925,506 1.066,507 0.587,508 1.047,509 0.875,510 0.831,511 0.969,512 0.927,513 0.692,514 0.954,515 0.838,516 0.874,517 1,518 0.958,519 0.76,520 0.998,521 1.013,522 1.03,523 1.108,524 1.057,525 1.045,526 1.092,527 6,528 0.16,529 4,530 1.882,531 1.747,532 0.99,533 0.573,534 0.393,535 0.199,536 0.234,537 15284,538 40341,539 2.16,540 45.6,542 16,543 1,545 3,547 4,548 2,550 1.73,551 2.044,552 3.716,553 0.812,555 1,559 87.412,560 1.534,561 3.888,562 5.14,563 5.552,564 5.552,565 5.552,566 3.183,567 4.696,568 4.927,569 3.907,570 1816.95,571 8.566,572 26872.9,574 1,577 332.475,578 1.332,579 4.896,580 0.171,581 0.006,582 0.08,583 0.037,584 0.04,585 0.026,586 0.017,587 0.012,588 0.008,589 0.01,590 0.407,591 0.17,592 0.88,593 0.646,594 164.046,595 -0.047,596 -0.003,597 0.044,598 0.038,599 -0.044,600 0.058,601 -0.041,602 0.027,603 -0.007,604 0.042,605 0.086,606 0.028,607 -0.106,608 -0.02,609 -0.096,610 -0.029,611 -0.022,612 -0.055,613 0.03,614 -0.104,615 -0.139,616 -0.182,617 -0.002,618 -0.195,619 0.018,620 -0.137,621 0.043,622 -0.087,623 0.019,624 -0.032,625 -0.041,626 -0.003,627 0.025,628 0.018,629 -0.034,630 0.031,631 0.05,632 -0.023,633 -0.014,634 -0.001,635 0.032,636 -0.016,637 -0.091,638 -0.052,639 -0.114,640 -0.07,641 -0.099,642 -0.091,643 2.054,644 5.453,645 0.806,646 32.489,647 1.001,648 1.127,649 3.023,650 9.142,651 0.667,652 3.584,653 3.932,654 4.234,655 4.511,656 4.762,657 4.86,658 4.997,659 5.069,660 5.142,661 5.204,662 7.976,663 0.635,664 419.54,665 3.584,666 5.142,667 6.009,668 6.897,669 7.779,670 8.67,671 9.557,672 10.45,673 11.34,674 12.233,675 5.3,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,713 1,714 57,716 18,717 2,718 35,720 61,721 25,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 26,765 5,766 3,767 6,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,825 1,827 31,828 1,833 7,835 1,837 1,838 1,846 1,847 3.5,850 1,851 1,854 15.167,855 10.01,856 6.667,857 3.53,858 3.567,859 1.425,860 1.035,861 5.554,862 11.969,863 3.829,864 4.44,865 5.043,866 5.633,867 6.152,868 6.465,869 6.811,870 7.046,871 7.076,872 7.271,873 1,874 51,875 11.524,877 5.053,878 7.753,879 22.315,881 19.22,883 2.253,884 69.833,887 1,888 270.735,889 128.365,890 52.807,892 36.145,893 14.96,895 128.365,896 306.88,897 67.767,899 51.41,900 75.381,901 40.849,902 47.532,903 28.875,904 258.964,906 270.735,907 181.172,908 51.105,911 215.069,912 95.772,913 11,915 71.32,916 100.376,917 9.476,919 285.695,920 88.952,921 128.365,924 270.735,925 52.984,926 78.505,927 16.786,928 84.002,929 270.735,930 103.912,931 128.365,933 0.589,934 0.347,935 0.187,936 0.105,937 26,938 11,939 0.082,940 5,941 2,942 1.16,943 4.358,944 283.876,945 0.16,946 25,947 151.58,951 20.289,952 8.486,953 4.125,954 1.912,955 87.126,956 12.603,958 3.186,961 3.86,963 49.683,964 503.012,965 45,970 11.46,972 2.282,974 0.925,975 57.076,976 64.236,977 0.263,978 0.667,979 0.881,980 0.952,981 0.952,982 0.952,983 5.088,984 1.57,985 5.999,986 5.723,987 4.615,988 5.127,989 1.956,990 6.823,991 4.559,992 6.293,993 1.529,994 7.566,995 4.337,996 4.205,997 4.977,998 0.325,999 7.745,1000 4.131,1001 7.608,1002 1.222,1003 9.231,1004 3.822,1005 6.225,1006 7.339,1007 1.989,1008 10.843,1009 6.131,1010 8.957,1011 1.182,1012 10.954,1013 3.236,1014 6.635,1015 8.048,1016 0.393,1017 12.605,1018 6.536,1019 10.34,1020 1.011,1021 12.715,1022 2.831,1023 8.118,1024 9.89,1025 2.094,1026 15.217,1027 8.001,1028 11.747,1029 1,1030 14.503,1031 2.388,1032 8.906,1033 11.004,1034 0.384,1035 17.326,1036 8.788,1037 13.173,1038 0.637,1039 16.31,1040 2.275,1041 10.173,1042 12.637,1043 2.241,1044 19.777,1045 10.039,1046 3.165,1047 0.509,1048 18.131,1049 1.517,1050 11.142,1051 13.948,1052 0.351,1053 22.033,1054 11.005,1055 3.077,1056 10.913,1057 19.964,1058 1.243,1059 12.321,1060 15.495,1061 2.418,1062 24.429,1063 12.171,1064 2.662,1065 10.291,1066 21.807,1067 4.54,1068 13.376,1069 16.902,1070 0.312,1071 26.749,1072 13.22,1073 2.613,1074 8.14,1075 23.657,1076 4.006,1077 14.522,1078 18.416,1079 2.619,1080 29.126,1081 14.354,1082 2.362,1083 7.935,1084 25.514,1085 3.386,1086 15.617,1087 19.87,1088 0.273,1089 31.475,1090 15.441,1091 2.056,1092 6.896,1093 27.375,1094 3.265,1095 16.752,1096 21.373,1097 2.839,1098 33.848,1099 16.565,1100 1.959,1101 6.012,1102 29.242,1103 2.87,1104 17.868,1105 22.851,1106 0.236,1107 36.209,1108 17.671,1109 14064,1110 22967,1111 23.868,1112 38,1113 53.678,1114 54.242,1115 54.493,1116 53.192,1117 53.107,1118 67.815,1119 6.439,1120 155.118,1121 51.482,1122 5.569,1123 5.522,1124 6.249,1125 5.238,1126 5.165,1127 7.54,1128 2.302,1129 18.066,1130 5.127,1131 13.5,1132 1.534,1133 1.55,1134 1.557,1135 1.52,1136 1.517,1137 1.938,1138 0.184,1139 4.432,1140 1.471,1141 4.146,1142 4.178,1143 4.107,1144 4.064,1145 8.201,1146 4.07,1147 4.014,1148 4.037,1149 3.958,1150 3.943,1151 7.437,1152 3.943,1153 3.815,1154 3.872,1155 3.719,1156 3.683,1157 4.944,1158 3.684,1159 3.582,1160 3.618,1161 3.498,1162 3.425,1163 4.902,1164 3.432,1165 3.438,1166 3.493,1167 3.359,1168 3.275,1169 4.747,1170 3.283,1171 3.34,1172 3.411,1173 3.194,1174 3.184,1175 4.426,1176 3.177,1177 3.223,1178 3.288,1179 3.099,1180 2.988,1181 4.374,1182 3.008,1183 3.042,1184 3.131,1185 2.893,1186 2.879,1187 4.153,1188 2.858,1189 0.132,1190 0.101,1191 0.192,1192 0.119,1193 0.09,1194 4.604,1195 0.13,1196 3.522,1197 0.033,1198 6.712,1199 0.312,1200 4.153,1201 0.089,1202 3.165,1203 4.54,1204 1.151,1205 10.913,1206 3.127,1207 1.987,1208 1.967,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.952,1214 1.931,1215 2.047,1216 2.037,1217 1.303,1218 2.041,1219 1.818,1220 1.771,1221 1.959,1222 1.974,1223 1.128,1224 1.972,1225 1.562,1226 1.518,1227 1.758,1228 1.752,1229 1.037,1230 1.75,1231 1.439,1232 1.385,1233 1.664,1234 1.666,1235 0.859,1236 1.66,1237 1.345,1238 1.275,1239 1.573,1240 1.549,1241 0.703,1242 1.574,1243 1.137,1244 1.081,1245 1.43,1246 1.436,1247 0.67,1248 1.425,1249 1.08,1250 0.998,1251 1.36,1252 1.298,1253 0.458,1254 1.348,1255 4.263,1257 5.602,1258 2.398,1259 7.138,1260 4.727,1261 8.763,1262 6.843,1263 10.433,1267 13.453,1269 5.42,1271 6.197,1273 6.041,1275 0.055,1276 2.438,1280 36.199,1281 87.412,1282 221.607,1283 292.965,1284 316.475,1285 316.475,1286 316.475,1287 52.227,1288 8.402,1289 71.35,1290 71.35,1291 29,1292 12.76,1293 4.248,1294 3.459,1295 44.035,1296 152,1297 137,1298 0.141,1299 216.839,1300 379.45,1301 520.847,1302 62537,1303 1.8,1304 21.372,1305 0.689,1306 0.56,1307 20.501,1308 17.365,1309 15.081,1310 0.431,1311 0.309,1312 10.675,1313 14.546,1314 10.488,1315 8.562,1316 14.687,1317 10.809,1318 13.874,1319 0.277,1320 0.167,1321 13.24,1322 8.348,1323 11.947,1324 0.176,1325 0.095,1326 11.611,1327 6.455,1328 10.075,1329 0.112,1330 0.053,1331 9.816,1332 4.752,1333 8.384,1334 0.072,1335 0.03,1336 8.137,1337 3.452,1338 0.229,1339 94.19,1340 0.205,1341 29.624,1342 0.367,1343 170,1344 492.872,1345 184.417,1346 451.774,1347 613.92,1348 424,1349 203,1350 444.445,1351 216.555,1352 445.817,1353 657.55,1354 422,1355 8.232} {0 CHEMBL83658,1 1.35,2 7.227,3 3.643,4 13.274,5 90.653,6 6.692,7 0.48,8 3.879,9 4.004,10 3.387,11 3.442,12 4.832,13 3.396,14 4.461,15 4.648,16 3.759,17 3.863,18 5.314,19 3.805,20 4.752,21 4.949,22 3.879,23 4.084,24 5.582,25 3.989,26 4.901,27 5.151,28 3.891,29 4.115,30 5.666,31 4.002,32 4.873,33 5.104,34 3.771,35 4.089,36 5.672,37 3.962,38 4.775,39 5.05,40 3.464,41 3.934,42 5.481,43 3.754,44 4.546,45 4.829,46 3.197,47 3.701,48 5.252,49 3.503,50 4.356,51 4.652,52 2.859,53 3.473,54 5.056,55 3.252,56 0.095,57 0.625,58 10.303,59 4.298,60 8.495,61 5.987,62 0.16,63 1.069,64 19.35,65 7.048,66 13.676,67 10.015,68 0.268,69 1.369,70 26.154,71 9.935,72 22.346,73 13.9,74 0.264,75 1.525,76 30.835,77 11.482,78 26.299,79 16.367,80 0.312,81 1.441,82 30.199,83 11.316,84 30.794,85 15.644,86 0.214,87 1.32,88 27.159,89 10.381,90 24.075,91 15.065,92 0.13,93 1.051,94 21.373,95 8.488,96 18.809,97 12.426,98 0.122,99 0.864,100 17.757,101 6.841,102 16.786,103 10.146,104 7,105 36,106 0.236,107 0.524,108 0.714,109 0.79,110 0.841,111 0.86,112 3.149,113 0.958,114 -4.81,115 -4.73,116 -4.44,119 43.2,121 2,124 2,125 1,127 2,140 8,141 3,142 1,164 1,169 12,172 5,178 15,181 1,182 9,189 14,192 1,193 8,199 14,203 5,211 12,215 5,222 8,226 5,233 3,237 2,259 520,260 15.085,261 15.085,262 15.085,263 15.085,264 15.085,265 13.631,266 19.677,267 8.952,268 15.321,269 12.414,270 12.414,271 12.414,272 12.414,273 12.414,274 10.284,275 28.069,276 4.303,277 12.802,278 4.11,279 2.456,280 1.37,281 0.932,282 0.642,283 0.534,284 3.851,287 1,288 1,289 1,290 350,291 2.739,294 26.628,295 70.199,296 35.266,299 53.183,300 120.261,302 1.066,303 9.703,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 46,315 159,316 4.493,317 4.439,318 6.905,319 4.257,320 3.288,321 4.018,322 2.43,323 11.64,324 3.19,325 4.088,326 3.208,327 6.25,328 3.698,329 2.707,330 3.698,331 0.8,332 9.271,333 2.681,334 3.762,335 2.884,336 5.825,337 3.6,338 2.636,339 2.87,340 0.68,341 8.158,342 2.535,343 3.314,344 2.677,345 5.276,346 3.194,347 2.254,348 2.358,349 0.442,350 6.609,351 2.113,352 2.975,353 2.232,354 4.587,355 2.687,356 1.757,357 2.169,359 4.486,360 1.63,361 2.93,362 2.079,363 4.425,364 2.536,365 1.546,366 2.099,368 4.297,369 1.529,370 2.824,371 1.621,372 4.133,373 2.521,374 1.526,375 1.861,377 3.463,378 1.514,379 2.752,380 1.401,381 3.716,382 2.304,383 1.305,384 1.86,386 2.958,387 1.304,388 2.371,389 1.365,390 3.603,391 2.019,392 1.033,393 1.34,395 2.656,396 1.017,397 1.936,398 1.059,399 3.554,400 1.768,401 0.784,402 0.881,404 2.163,405 0.769,406 1.385,407 0.397,408 2.9,409 1.127,410 0.131,411 0.159,413 0.34,414 0.131,415 0.926,416 0.063,417 2.647,418 0.646,419 -0.315,420 -0.321,422 -0.867,423 -0.293,424 0.73,425 -0.087,426 2.536,427 0.61,428 -0.345,429 -0.408,431 -0.893,432 -0.337,433 0.603,434 -0.416,435 2.152,436 0.151,437 -0.844,438 -1,440 -2,441 -0.838,442 0.559,443 -0.6,444 2,445 0.139,446 -0.851,447 -1.141,449 -2.055,450 -0.841,451 10.633,452 0.483,453 0.538,454 0.024,455 26.75,456 1.216,457 12.5,458 0.568,459 14.25,460 0.648,461 18.773,462 0.853,463 23.567,464 0.536,465 17.688,466 0.804,467 5.267,468 0.239,469 5.453,470 0.248,471 0.094,473 0.357,479 0.69,480 1.278,481 0.858,482 1.094,483 0.884,484 1.008,485 1.425,486 1.013,487 0.959,488 0.9,489 1.066,490 0.876,491 1.414,492 1.137,493 1.113,494 1.084,495 1.291,496 1.077,497 1.134,498 0.916,499 0.896,500 0.924,501 0.853,502 0.889,503 1.81,504 0.981,505 1.151,506 0.985,507 1.539,508 1.019,509 0.928,510 0.985,511 1.059,512 1.014,513 0.919,514 1.042,515 0.527,516 1.099,517 0.991,518 1.088,519 0.759,520 1.083,521 0.56,522 1.01,523 1.08,524 1.072,525 0.814,526 1.106,527 4,529 2,530 1.722,531 1.489,532 0.765,533 0.333,534 0.293,535 0.148,536 0.063,537 4434,538 8675,539 2.176,540 50,541 2,542 18,548 2,550 1.654,551 2.063,552 2.857,553 -0.851,555 1,557 1,559 59.397,560 1.35,561 3.004,562 4.09,563 4.527,564 4.817,565 4.925,566 2.244,567 3.391,568 4.428,569 2.988,570 690.188,571 7.659,572 7214.32,574 1,576 1,577 240.215,578 1.322,579 4.403,580 0.16,582 0.056,583 0.044,584 0.038,585 0.022,586 0.014,587 0.016,588 0.012,589 0.016,590 0.379,591 0.83,592 1,593 0.923,594 97.437,595 0.28,596 -0.114,597 0.102,598 -0.034,599 0.048,600 0.005,601 -0.105,602 0.112,603 0.044,604 0.084,605 -0.055,606 0.085,607 -0.045,608 -0.084,609 -0.116,610 -0.089,611 -0.156,612 -0.108,613 0.045,614 0.079,615 0.101,616 0.043,617 0.179,618 0.076,619 -0.226,620 -0.013,621 -0.136,622 -0.005,623 -0.169,624 -0.058,625 -0.086,626 -0.026,627 -0.092,628 -0.045,629 -0.019,630 -0.065,631 0.016,632 -0.158,633 -0.047,634 -0.107,635 0.012,636 -0.089,637 -0.048,638 -0.058,639 -0.134,640 -0.111,641 -0.064,642 -0.125,643 1.084,644 2.831,645 0.818,646 15.058,647 0.986,648 1.122,649 3.584,650 12.848,651 0.661,652 3.258,653 3.611,654 3.932,655 4.304,656 4.595,657 4.812,658 5.017,659 5.147,660 5.263,661 5.283,662 4.574,663 0.614,664 294.43,665 3.258,666 4.812,667 5.687,668 6.597,669 7.498,670 8.419,671 9.332,672 10.257,673 11.175,674 12.101,675 4.5,678 1,681 1,688 8,693 4,695 12,706 1,714 44,716 12,717 2,718 25,720 47,721 19,722 12,723 4,724 8,730 4,731 11,740 4,743 4,745 12,746 7,760 1,761 1,764 22,765 3,767 3,773 2,777 0.25,778 1,792 1,793 2,794 1,797 1,798 2,815 1,819 1,823 2,827 22,833 3,835 1,837 2,838 2,847 2.3,851 1,854 10.667,855 8.4,856 4.722,857 2.664,858 2.51,859 1.33,860 0.999,861 3.493,862 10.127,863 3.466,864 4.025,865 4.57,866 5.14,867 5.684,868 5.928,869 6.349,870 6.751,871 7.114,872 7.405,873 0.8,874 39,875 8.161,877 3.488,878 7.379,879 16.3,881 14.026,883 1.879,884 41.333,885 0.001,887 1,888 258.964,889 112.091,890 8.863,892 11.219,895 112.091,896 270.183,897 8.863,898 16.793,899 7.175,900 75.81,901 11.219,902 21.176,904 258.964,906 258.964,907 120.954,908 11.219,911 235.422,912 23.542,913 11.219,915 10.299,916 110.655,919 258.964,920 20.082,921 112.091,924 258.964,925 19.488,926 101.466,928 11.219,929 258.964,930 20.082,931 112.091,933 0.581,934 0.334,935 0.203,936 0.119,937 20,938 8,939 0.043,940 2,941 3,942 1.333,943 3.339,944 190.625,945 0.333,946 18,947 93.353,951 13.951,952 5.508,953 2.491,955 20.082,956 17.443,961 5.421,964 391.137,965 31,975 43.367,976 49.358,977 0.247,978 0.55,979 0.749,980 0.829,981 0.882,982 0.902,983 4.727,984 1.305,985 5.68,986 3.463,987 4.29,988 4.71,989 2.665,990 6.538,991 4.232,992 5.904,993 1.033,994 7.256,995 2.958,996 3.892,997 4.369,998 1.494,999 7.506,1000 3.78,1001 7.196,1002 0.784,1003 8.936,1004 2.656,1005 5.911,1006 6.788,1007 4.123,1008 10.675,1009 5.796,1010 8.521,1011 0.131,1012 10.679,1013 2.163,1014 6.347,1015 7.271,1016 3.425,1017 12.508,1018 6.184,1019 9.882,1020 -0.315,1021 12.464,1022 0.34,1023 7.84,1024 9.179,1025 5.801,1026 15.187,1027 7.668,1028 11.267,1029 -0.345,1030 14.278,1031 -0.867,1032 8.67,1033 10.069,1034 5.424,1035 17.371,1036 8.457,1037 12.673,1038 -0.844,1039 16.113,1040 -0.893,1041 9.953,1042 11.734,1043 7.512,1044 19.89,1045 9.725,1046 3.288,1047 -0.851,1048 17.965,1049 -2,1050 10.97,1051 12.838,1052 7.37,1053 22.223,1054 10.705,1055 2.707,1056 11.64,1057 19.829,1058 -2.055,1059 12.175,1060 14.375,1061 9.233,1062 24.689,1063 11.888,1064 2.636,1065 9.271,1066 21.703,1067 4.018,1068 13.278,1069 15.595,1070 9.273,1071 27.087,1072 12.957,1073 2.254,1074 8.158,1075 23.585,1076 3.698,1077 14.459,1078 17.062,1079 10.961,1080 29.538,1081 14.111,1082 1.757,1083 6.609,1084 25.473,1085 2.87,1086 15.603,1087 18.348,1088 11.144,1089 31.964,1090 15.222,1091 1.546,1092 4.486,1093 27.367,1094 2.358,1095 16.778,1096 19.775,1097 12.694,1098 34.413,1099 16.369,1100 1.526,1101 4.297,1102 29.265,1103 2.169,1104 17.942,1105 21.099,1106 12.994,1107 36.853,1108 17.5,1109 4247,1110 6025,1111 17.107,1112 29.08,1113 38.381,1114 39.595,1115 38.988,1116 38.039,1117 37.938,1118 46.623,1119 8.704,1120 112.084,1121 36.825,1122 5.432,1123 6.439,1124 6.59,1125 5.302,1126 5.288,1127 7.018,1128 4.661,1129 19.123,1130 5.19,1131 8.323,1132 1.535,1133 1.584,1134 1.56,1135 1.522,1136 1.518,1137 1.865,1138 0.348,1139 4.483,1140 1.473,1141 4.074,1142 4.103,1143 4.018,1144 3.998,1145 4.87,1146 3.997,1147 3.796,1148 3.826,1149 3.729,1150 3.746,1151 4.649,1152 3.739,1153 3.737,1154 3.796,1155 3.625,1156 3.561,1157 4.553,1158 3.568,1159 3.478,1160 3.558,1161 3.328,1162 3.248,1163 4.256,1164 3.253,1165 3.171,1166 3.233,1167 3.026,1168 3.067,1169 3.836,1170 3.05,1171 2.989,1172 3.071,1173 2.814,1174 2.836,1175 3.682,1176 2.82,1177 2.874,1178 3.009,1179 2.732,1180 2.727,1181 3.624,1182 2.719,1183 2.856,1184 2.917,1185 2.578,1186 2.618,1187 3.485,1188 2.59,1189 0.18,1190 0.178,1191 0.276,1192 0.17,1193 0.132,1194 4.493,1195 0.161,1196 4.439,1197 0.097,1198 6.905,1199 0.466,1200 4.257,1201 0.128,1202 3.288,1203 4.018,1204 2.43,1205 11.64,1206 3.19,1207 1.961,1208 1.937,1209 2.072,1210 2.029,1211 1.327,1212 2.045,1213 1.88,1214 1.852,1215 1.992,1216 1.973,1217 1.214,1218 1.981,1219 1.657,1220 1.59,1221 1.89,1222 1.889,1223 1.086,1224 1.894,1225 1.394,1226 1.316,1227 1.679,1228 1.6,1229 0.848,1230 1.631,1231 1.198,1232 1.141,1233 1.457,1234 1.44,1235 0.624,1236 1.421,1237 1.157,1238 1.096,1239 1.417,1240 1.352,1241 0.605,1242 1.391,1243 0.934,1244 0.804,1245 1.403,1246 1.239,1247 0.469,1248 1.308,1249 0.843,1250 0.783,1251 1.13,1252 1.03,1253 0.258,1254 1.069,1255 3.932,1257 5.273,1258 2.398,1259 6.806,1260 4.844,1261 8.431,1262 7.066,1263 10.109,1265 4.212,1271 2.988,1273 6.331,1275 0.573,1276 4.365,1280 27.026,1281 59.397,1282 132.157,1283 179.95,1284 199.195,1285 211.95,1286 216.705,1287 25.744,1288 7.617,1289 15.71,1290 15.71,1291 24,1292 12.607,1293 3.7,1294 2.807,1295 29.564,1296 62,1297 62,1298 0.254,1299 163.472,1300 280.97,1301 390.631,1302 19987,1304 15.104,1305 0.687,1306 0.6,1307 15.104,1308 13.197,1309 10.72,1310 0.429,1311 0.319,1312 7.895,1313 10.399,1314 7.63,1315 6.334,1316 10.72,1317 7.986,1318 9.947,1319 0.276,1320 0.183,1321 9.947,1322 6.571,1323 8.207,1324 0.164,1325 0.092,1326 8.207,1327 4.625,1328 7.633,1329 0.105,1330 0.051,1331 7.633,1332 3.716,1333 6.445,1334 0.066,1335 0.027,1336 6.445,1337 2.691,1338 0.373,1339 66.458,1340 0.242,1341 20.852,1342 0.779,1343 122,1344 273.026,1345 130.37,1346 267.398,1347 381.5,1348 254,1349 147,1350 296.579,1351 157.59,1352 300.997,1353 443.33,1354 283,1355 6.18} {0 CHEMBL83732,1 1.463,2 13.469,3 4.141,4 17.146,5 126.217,6 7.298,7 0.472,8 4.171,9 4.286,10 3.727,11 3.765,12 5.233,13 3.733,14 4.738,15 4.899,16 4.101,17 4.191,18 5.8,19 4.137,20 5.036,21 5.234,22 4.184,23 4.381,24 6.02,25 4.292,26 5.114,27 5.333,28 4.098,29 4.391,30 6.038,31 4.264,32 5.152,33 5.409,34 4.031,35 4.328,36 6.003,37 4.185,38 5.089,39 5.35,40 3.937,41 4.19,42 5.987,43 4.063,44 4.966,45 5.22,46 3.811,47 4.07,48 5.943,49 3.945,50 4.842,51 5.108,52 3.571,53 3.972,54 5.712,55 3.809,56 0.027,57 0.868,58 12.144,59 5.792,60 8.834,61 7.384,62 0.201,63 1.462,64 23.467,65 10.021,66 31.14,67 12.955,68 0.286,69 1.904,70 33.482,71 13.923,72 46.001,73 18.087,74 0.295,75 1.988,76 36.734,77 15.357,78 46.14,79 20.589,80 0.232,81 2.021,82 39.776,83 15.977,84 46.529,85 22.11,86 0.369,87 1.936,88 38.515,89 14.05,90 62.696,91 19.087,92 0.569,93 1.744,94 34.381,95 12.081,96 76.362,97 16.12,98 0.393,99 1.534,100 30.194,101 11.372,102 56.14,103 15.469,104 11,105 51,106 0.236,107 0.587,108 0.794,109 0.894,110 0.905,111 0.905,112 3.502,113 0.935,114 -5.37,115 -5.25,116 -4.91,119 45.8,121 3,125 4,127 1,134 1,135 1,140 9,141 6,142 1,156 1,161 1,162 1,163 1,169 19,172 7,173 1,174 1,176 1,178 26,180 1,182 5,186 2,189 24,191 2,192 1,193 6,197 2,199 18,201 2,203 7,208 2,211 8,213 2,215 8,222 5,225 1,226 5,228 1,229 1,231 1,233 7,235 1,237 2,244 12,248 1,249 2,251 1,252 1,256 11,259 1684,260 21.878,261 21.878,262 21.878,263 21.878,264 21.878,265 19.501,266 21.562,267 12.773,268 22.165,269 17.775,270 17.775,271 17.775,272 17.775,273 17.775,274 14.132,275 22.352,276 6.046,277 18.244,278 4.42,279 2.243,280 0.958,281 0.339,282 0.271,283 0.271,284 4.215,288 1,289 1,290 957,291 3.162,295 435.632,299 291.696,302 2.064,303 30.334,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68.5,315 431,316 4.58,317 3.522,318 6.7,319 4.14,320 3.143,321 4.502,322 1.151,323 10.88,324 3.134,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.966,335 3.236,336 5.903,337 3.65,338 2.663,339 3.389,340 0.916,341 8.14,342 2.635,343 3.93,344 2.956,345 5.792,346 3.594,347 2.613,348 3.265,349 0.172,350 7.933,351 2.557,352 3.565,353 2.74,354 5.337,355 3.292,356 2.347,357 2.95,359 6.88,360 2.21,361 3.432,362 2.485,363 5.135,364 3.063,365 2.113,366 2.565,368 6.002,369 1.988,370 3.181,371 2.395,372 4.961,373 2.954,374 1.985,375 2.3,377 5.824,378 1.913,379 3.019,380 1.979,381 4.617,382 2.573,383 1.582,384 2.145,386 4.576,387 1.567,388 2.89,389 1.792,390 4.188,391 2.523,392 1.561,393 2.054,395 3.82,396 1.492,397 2.879,398 1.699,399 3.985,400 2.396,401 1.402,402 1.961,404 3.329,405 1.389,406 2.6,407 1.445,408 3.783,409 2.181,410 1.182,411 1.569,413 2.833,414 1.166,415 2.302,416 1.41,417 3.452,418 2.004,419 1.034,420 1.22,422 2.411,423 0.996,424 2.213,425 1.176,426 3.414,427 1.984,428 1,429 1.15,431 2.275,432 0.983,433 2.064,434 0.904,435 3.373,436 1.814,437 0.822,438 1.033,440 2.004,441 0.814,442 1.672,443 0.748,444 3.145,445 1.528,446 0.558,447 0.612,449 1.343,450 0.538,451 15.252,452 0.477,453 0.763,454 0.024,455 39,456 1.219,457 19,458 0.594,459 20,460 0.625,461 29.316,462 0.916,463 33.948,464 0.575,465 29.646,466 0.926,467 7.716,468 0.241,469 7.865,470 0.246,471 0.067,473 0.354,477 1,479 0.662,480 1.004,481 0.782,482 0.988,483 0.591,484 0.916,485 0.852,486 0.928,487 0.911,488 0.954,489 0.503,490 0.941,491 0.986,492 0.948,493 1.021,494 1.001,495 0.792,496 1.015,497 0.74,498 1.013,499 1.069,500 1.156,501 0.688,502 1.169,503 0.614,504 1.017,505 0.892,506 1.082,507 0.548,508 1.047,509 1.041,510 1.043,511 1,512 1.001,513 0.899,514 0.993,515 1.215,516 0.991,517 1.132,518 0.945,519 1.185,520 1.003,521 0.971,522 0.914,523 1.116,524 1.004,525 1.031,526 1.068,527 6,528 0.145,529 4,530 1.75,531 1.876,532 1.069,533 0.667,534 0.352,535 0.233,536 0.224,537 16302,538 41690,539 2.154,540 45.8,542 19,545 2,547 4,548 2,550 1.739,551 2.043,552 3.68,553 0.115,555 1,559 86.312,560 1.463,561 3.639,562 4.925,563 5.544,564 5.611,565 5.611,566 3.129,567 4.563,568 4.975,569 3.897,570 1932.77,571 8.666,572 29203.1,574 1,577 347.076,578 1.317,579 4.943,580 0.167,581 0.005,582 0.078,583 0.032,584 0.04,585 0.025,586 0.018,587 0.011,588 0.009,589 0.009,590 0.394,591 0.33,592 0.88,593 0.633,594 170.644,595 -0.027,596 0.014,597 0.046,598 0.039,599 -0.042,600 0.054,601 -0.028,602 0.052,603 -0.015,604 0.043,605 0.086,606 0.023,607 -0.099,608 0.02,609 -0.086,611 -0.021,612 -0.032,613 -0.011,614 -0.119,615 -0.138,616 -0.158,617 -0.023,618 -0.17,619 0.048,620 -0.165,621 0.066,622 -0.094,623 0.044,624 -0.03,625 -0.052,626 -0.099,627 0.012,628 -0.041,629 -0.035,630 -0.012,631 -0.025,632 0.036,633 -0.098,634 0.006,635 -0.064,636 -0.044,637 -0.038,638 0.072,639 -0.114,640 -0.025,641 -0.092,642 -0.071,643 2.055,644 5.828,645 0.813,646 33.25,647 0.998,648 1.121,649 4.14,650 17.137,651 0.674,652 3.611,653 3.951,654 4.248,655 4.522,656 4.812,657 4.875,658 5.004,659 5.081,660 5.209,661 5.22,662 8.004,663 0.639,664 430.56,665 3.611,666 5.165,667 6.028,668 6.913,669 7.792,670 8.679,671 9.564,672 10.452,673 11.339,674 12.228,675 3.4,678 1,682 1,687 2,688 9,693 5,695 17,701 1,713 1,714 59,716 19,717 3,718 36,720 63,721 27,722 16,723 7,724 9,725 3,730 5,731 7,740 3,743 4,745 19,746 8,750 2,755 1,757 1,759 2,761 1,762 1,764 27,765 5,766 2,767 5,773 2,777 0.6,778 2,793 5,797 2,810 1,811 1,815 1,818 1,819 3,825 1,827 32,828 1,833 7,835 1,837 1,838 1,846 1,847 3.4,850 1,851 1,854 15.667,855 10.426,856 6.917,857 3.69,858 3.853,859 1.455,860 1.027,861 5.883,862 12.329,863 3.861,864 4.466,865 5.064,866 5.651,867 6.241,868 6.505,869 6.853,870 7.115,871 7.421,872 7.412,873 0.889,874 54,875 11.905,877 5.198,878 7.729,879 23.097,881 19.83,883 2.229,884 71.333,887 1,888 294.278,889 148.175,890 36.022,892 36.145,893 14.96,895 148.175,896 330.422,897 50.982,899 51.41,900 94.762,901 40.849,902 33.319,903 14.96,904 294.278,906 294.278,907 184.197,908 51.105,911 238.611,912 95.772,913 11,915 54.535,916 120.186,917 9.476,919 309.238,920 72.166,921 148.175,924 294.278,925 53.413,926 97.887,928 84.002,929 294.278,930 87.126,931 148.175,933 0.586,934 0.346,935 0.187,936 0.109,937 26,938 11,939 0.079,940 5,941 2,942 1.154,943 4.406,944 297.122,945 0.154,946 26,947 160,951 21.025,952 8.954,953 4.407,954 2.051,955 87.126,956 16.874,961 3.843,963 32.897,964 529.579,965 46.5,970 11.479,972 2.276,974 0.899,975 58.858,976 66.153,977 0.249,978 0.619,979 0.837,980 0.942,981 0.954,982 0.954,983 5.113,984 1.582,985 6.014,986 5.824,987 4.635,988 5.153,989 1.956,990 6.832,991 4.59,992 6.316,993 1.561,994 7.576,995 4.576,996 4.205,997 4.977,998 0.325,999 7.745,1000 4.141,1001 7.627,1002 1.402,1003 9.238,1004 3.82,1005 6.236,1006 7.359,1007 1.989,1008 10.846,1009 6.163,1010 8.971,1011 1.182,1012 10.958,1013 3.329,1014 6.621,1015 8.024,1016 0.393,1017 12.597,1018 6.543,1019 10.349,1020 1.034,1021 12.717,1022 2.833,1023 8.116,1024 9.89,1025 2.094,1026 15.213,1027 8.027,1028 11.75,1029 1,1030 14.503,1031 2.411,1032 8.885,1033 10.963,1034 0.384,1035 17.314,1036 8.798,1037 13.17,1038 0.822,1039 16.308,1040 2.275,1041 10.158,1042 12.612,1043 2.241,1044 19.766,1045 10.061,1046 3.143,1047 0.558,1048 18.128,1049 2.004,1050 11.113,1051 13.892,1052 0.351,1053 22.017,1054 11.018,1055 3.077,1056 10.88,1057 19.96,1058 1.343,1059 12.293,1060 15.445,1061 2.418,1062 24.411,1063 12.191,1064 2.663,1065 10.291,1066 21.801,1067 4.502,1068 13.338,1069 16.83,1070 0.312,1071 26.728,1072 13.235,1073 2.613,1074 8.14,1075 23.649,1076 4.006,1077 14.481,1078 18.343,1079 2.619,1080 29.103,1081 14.373,1082 2.347,1083 7.933,1084 25.504,1085 3.389,1086 15.57,1087 19.78,1088 0.273,1089 31.449,1090 15.459,1091 2.113,1092 6.88,1093 27.365,1094 3.265,1095 16.701,1096 21.277,1097 2.839,1098 33.819,1099 16.586,1100 1.985,1101 6.002,1102 29.229,1103 2.95,1104 17.81,1105 22.742,1106 0.236,1107 36.178,1108 17.692,1109 15043,1110 24166,1111 24.561,1112 39.756,1113 54.606,1114 55.579,1115 55.631,1116 54.268,1117 54.164,1118 69.438,1119 6.439,1120 157.08,1121 52.836,1122 5.544,1123 5.522,1124 6.237,1125 5.224,1126 5.143,1127 7.502,1128 2.302,1129 18.033,1130 5.134,1131 13.693,1132 1.517,1133 1.544,1134 1.545,1135 1.507,1136 1.505,1137 1.929,1138 0.179,1139 4.363,1140 1.468,1141 4.117,1142 4.139,1143 4.075,1144 4.074,1145 8.201,1146 4.071,1147 4.011,1148 4.033,1149 3.957,1150 3.943,1151 7.437,1152 3.943,1153 3.817,1154 3.872,1155 3.722,1156 3.693,1157 4.908,1158 3.692,1159 3.585,1160 3.62,1161 3.5,1162 3.433,1163 4.859,1164 3.439,1165 3.475,1166 3.519,1167 3.396,1168 3.351,1169 4.746,1170 3.353,1171 3.369,1172 3.433,1173 3.222,1174 3.23,1175 4.435,1176 3.218,1177 3.225,1178 3.289,1179 3.099,1180 3.013,1181 4.377,1182 3.022,1183 3.08,1184 3.144,1185 2.965,1186 2.936,1187 4.189,1188 2.938,1189 0.127,1190 0.098,1191 0.186,1192 0.115,1193 0.087,1194 4.58,1195 0.125,1196 3.522,1197 0.032,1198 6.7,1199 0.302,1200 4.14,1201 0.087,1202 3.143,1203 4.502,1204 1.151,1205 10.88,1206 3.134,1207 2.091,1208 2.074,1209 2.167,1210 2.148,1211 1.395,1212 2.155,1213 1.985,1214 1.965,1215 2.093,1216 2.083,1217 1.339,1218 2.086,1219 1.799,1220 1.749,1221 1.971,1222 1.958,1223 1.214,1224 1.966,1225 1.545,1226 1.506,1227 1.745,1228 1.735,1229 1.038,1230 1.73,1231 1.451,1232 1.411,1233 1.661,1234 1.615,1235 0.859,1236 1.631,1237 1.381,1238 1.319,1239 1.608,1240 1.55,1241 0.695,1242 1.574,1243 1.146,1244 1.093,1245 1.433,1246 1.436,1247 0.67,1248 1.426,1249 1.091,1250 1.022,1251 1.364,1252 1.298,1253 0.504,1254 1.35,1255 4.29,1257 5.624,1259 7.163,1261 8.796,1263 10.476,1267 13.828,1269 5.428,1271 6.121,1273 6.052,1275 0.048,1276 2.435,1280 37.704,1281 86.312,1282 214.724,1283 290.547,1284 327.076,1285 331.076,1286 331.076,1287 55.108,1288 8.476,1289 55.56,1290 55.56,1291 30,1292 12.758,1293 4.322,1294 3.524,1295 46.073,1296 158,1297 136,1298 0.142,1299 226.302,1300 400.41,1301 543.937,1302 69370,1303 1.7,1304 22.079,1305 0.69,1306 0.563,1307 21.209,1308 18.02,1309 15.581,1310 0.433,1311 0.312,1312 11.11,1313 15.113,1314 10.895,1315 8.909,1316 15.187,1317 11.226,1318 14.227,1319 0.279,1320 0.169,1321 13.593,1322 8.627,1323 12.195,1324 0.177,1325 0.096,1326 11.853,1327 6.656,1328 10.237,1329 0.112,1330 0.054,1331 10.025,1332 4.913,1333 8.911,1334 0.073,1335 0.03,1336 8.585,1337 3.679,1338 0.23,1339 96.736,1340 0.202,1341 30.313,1342 0.372,1343 174,1344 492.54,1345 186.697,1346 453.734,1347 616.72,1348 426,1349 207,1350 444.473,1351 218.556,1352 447.746,1353 659.47,1354 424,1355 7.585} {0 CHEMBL84070,1 1.319,2 13.129,3 4.039,4 16.309,5 127.923,6 6.671,7 0.6,8 4.211,9 4.351,10 3.708,11 3.756,12 5.177,13 3.712,14 4.782,15 4.987,16 4.053,17 4.19,18 5.635,19 4.12,20 5.031,21 5.257,22 4.012,23 4.351,24 5.795,25 4.214,26 5.211,27 5.5,28 3.977,29 4.37,30 5.885,31 4.202,32 5.143,33 5.418,34 3.979,35 4.335,36 5.846,37 4.175,38 5.165,39 5.453,40 3.967,41 4.327,42 5.856,43 4.173,44 5.079,45 5.339,46 3.871,47 4.282,48 5.82,49 4.112,50 5.107,51 5.423,52 3.737,53 4.171,54 5.749,55 3.981,56 0.071,57 0.946,58 14.452,59 5.556,60 12.44,61 8.153,62 0.255,63 1.576,64 26.756,65 9.137,66 20.85,67 13.778,68 0.211,69 1.881,70 34.129,71 13.252,72 23.348,73 19.481,74 0.321,75 2.074,76 42.055,77 15.566,78 32.851,79 23.288,80 0.295,81 1.976,82 38.983,83 14.794,84 30.054,85 21.949,86 0.328,87 2.005,88 40.344,89 14.116,90 31.8,91 21.447,92 0.285,93 1.881,94 36.413,95 13.77,96 31.076,97 20.401,98 0.318,99 1.799,100 38.418,101 13.637,102 32.324,103 20.7,104 5,105 49,106 0.211,107 0.56,108 0.781,109 0.848,110 0.881,111 0.881,112 3.472,113 0.957,114 -4.49,115 -4.42,116 -4.16,119 41.9,121 2,122 1,124 2,125 3,127 1,140 8,141 3,142 1,143 1,149 2,150 1,158 1,169 11,171 1,172 7,176 3,178 11,182 6,186 3,189 9,192 1,193 6,199 5,203 6,206 2,208 1,211 6,215 4,220 1,222 6,225 1,226 6,229 1,233 6,237 4,240 1,244 5,248 1,249 3,256 5,259 1693,260 21.325,261 21.325,262 21.325,263 21.325,264 21.325,265 18.886,266 24.874,267 12.684,268 21.758,269 17.347,270 17.347,271 17.347,272 17.347,273 17.347,274 13.785,275 30.314,276 6.112,277 18.038,278 4.636,279 2.453,280 1.069,281 0.649,282 0.444,283 0.444,284 4.181,288 1,289 1,290 910,291 3.24,294 243.485,295 199.623,298 131.816,302 2.142,303 10.704,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 64.5,315 407,316 4.573,317 3.263,318 6.579,319 4.12,320 3.14,321 4.519,322 0.916,323 10.491,324 3.081,325 4.135,326 3.106,327 6.164,328 3.892,329 2.936,330 3.732,331 0.8,332 9.171,333 2.812,334 3.963,335 2.94,336 6.08,337 3.682,338 2.742,339 3.455,340 0.172,341 8.837,342 2.579,343 3.902,344 2.855,345 5.522,346 3.586,347 2.616,348 2.986,350 7.479,351 2.543,352 3.435,353 2.419,354 5.23,355 3.209,356 2.244,357 2.763,359 6.547,360 2.158,361 3.31,362 2.155,363 5.074,364 2.957,365 1.988,366 2.583,368 5.841,369 1.919,370 3.232,371 1.87,372 4.579,373 2.736,374 1.782,375 2.373,377 4.747,378 1.695,379 2.918,380 1.792,381 4.514,382 2.68,383 1.717,384 2.035,386 4.652,387 1.65,388 2.737,389 1.482,390 4.222,391 2.364,392 1.377,393 1.835,395 3.693,396 1.357,397 2.648,398 1.455,399 4.02,400 2.3,401 1.335,402 1.666,404 3.184,405 1.285,406 2.5,407 1.24,408 3.568,409 2.143,410 1.186,411 1.5,413 2.982,414 1.132,415 2.415,416 1,417 3.341,418 2,419 1,420 1.389,422 2.139,423 1,424 2.292,425 0.953,426 3.247,427 1.856,428 0.912,429 1.253,431 2.136,432 0.859,433 2.118,434 0.672,435 3.209,436 1.568,437 0.618,438 0.927,440 1.524,441 0.585,442 2.041,443 0.618,444 3,445 1.551,446 0.615,447 0.865,449 1.372,450 0.576,451 15,452 0.484,453 0.691,454 0.022,455 38.75,456 1.25,457 18,458 0.581,459 20.75,460 0.669,461 28.326,462 0.914,463 33,464 0.532,465 27.17,466 0.876,467 7.582,468 0.245,469 7.571,470 0.244,471 0.067,473 0.313,479 1.028,480 1.469,481 0.888,482 1.14,483 0.858,484 1.026,485 1.55,486 0.98,487 1.023,488 0.862,489 0.926,490 0.89,491 1.006,492 1.22,493 1.178,494 1.244,495 0.863,496 1.229,497 0.86,498 0.923,499 0.926,500 0.942,501 0.752,502 0.94,503 0.725,504 1.03,505 0.938,506 1.04,507 0.831,508 1.014,509 1.157,510 0.888,511 0.955,512 0.868,513 0.881,514 0.889,515 0.879,516 1.153,517 1.142,518 1.217,519 1.107,520 1.205,521 0.888,522 0.847,523 0.862,524 0.848,525 0.896,526 0.852,527 6,528 0.14,529 2.889,530 2.111,531 1.094,532 1.129,533 0.511,534 0.379,535 0.302,536 0.218,537 15016,538 30626,539 2.18,540 50,542 21,543 2,544 2,545 1,547 4,548 1,550 1.734,551 2.09,552 3.669,553 -0.425,555 1,559 81.759,560 1.319,561 3.501,562 4.885,563 5.305,564 5.51,565 5.51,566 3.127,567 4.567,568 4.924,569 3.86,570 1794.78,571 8.587,572 26301.8,574 1,577 369.16,578 1.215,579 4.907,580 0.171,581 0.006,582 0.059,583 0.048,584 0.026,585 0.027,586 0.012,587 0.011,588 0.009,589 0.007,590 0.376,591 0.33,592 0.88,593 0.415,594 163.231,595 0.065,596 -0.259,597 0.088,598 -0.078,599 0.119,600 -0.008,601 -0.161,602 0.18,603 -0.014,604 0.121,605 0.011,606 0.076,607 -0.121,608 -0.177,609 -0.212,610 -0.219,611 -0.069,612 -0.223,613 0.036,614 0.018,615 0.054,616 0.041,617 0.089,618 0.048,619 0.133,620 -0.074,621 0.036,622 -0.044,623 0.038,624 -0.018,625 -0.09,626 0.081,627 0.039,628 0.094,629 0.015,630 0.081,631 0.031,632 -0.166,633 -0.168,634 -0.22,635 -0.147,636 -0.213,637 0.069,638 0.055,639 0.128,640 0.108,641 0.044,642 0.121,643 0.744,644 1.185,645 0.806,646 34.841,647 0.984,648 1.127,649 3.263,650 10.649,651 0.66,652 3.584,653 3.912,654 4.19,655 4.477,656 4.615,657 4.736,658 4.913,659 5.063,660 5.147,661 5.236,662 7.706,663 0.612,664 413.62,665 3.584,666 5.13,667 5.984,668 6.864,669 7.732,670 8.617,671 9.493,672 10.381,673 11.262,674 12.153,675 8.1,678 2,683 2,685 1,687 2,688 12,689 1,690 1,693 3,694 1,695 21,714 62,716 21,717 2,718 35,720 66,721 26,722 17,723 4,724 8,730 5,731 6,740 2,741 1,743 3,745 17,746 9,747 1,761 1,764 31,765 3,766 1,767 5,770 1,773 5,777 0.8,788 1,789 1,792 3,793 2,796 1,815 2,819 4,823 2,827 31,833 5,837 2,838 2,854 14.833,855 11.467,856 6.694,857 3.687,858 3.546,859 1.435,860 1.012,861 5.839,862 11.698,863 3.839,864 4.431,865 5.016,866 5.611,867 6.039,868 6.386,869 6.852,870 7.29,871 7.509,872 7.78,873 0.889,874 44,875 11.461,877 4.829,878 7.371,879 22.918,881 19.48,883 1.871,884 58,887 1,888 353.133,889 153.595,890 41.719,895 153.595,896 353.133,897 41.719,898 16.793,899 11.386,900 93.905,901 48.946,902 45.682,903 25.686,904 306.049,906 353.133,907 195.314,911 294.278,912 58.856,915 53.985,916 124.543,917 16.786,919 353.133,920 41.719,921 153.595,924 353.133,925 25.231,926 136.511,927 16.786,928 16.786,929 353.133,930 41.719,931 153.595,933 0.581,934 0.336,935 0.187,936 0.092,937 25,938 10,939 0.106,940 7,941 1,942 1.08,943 4.42,944 281.622,945 0.08,946 25,947 149.58,951 20.35,952 8.895,953 4.556,954 2.53,955 23.034,956 25.248,957 4.185,958 3.469,961 3.957,962 2.066,963 16.786,964 548.447,965 45.5,975 60.996,976 69.889,977 0.221,978 0.588,979 0.82,980 0.891,981 0.925,982 0.925,983 5.077,984 1.717,985 5.958,986 4.747,987 4.595,988 5.118,989 1.242,990 6.753,991 4.522,992 6.261,993 1.377,994 7.501,995 4.652,996 4.111,997 4.783,998 0.57,999 7.573,1000 3.995,1001 7.549,1002 1.335,1003 9.139,1004 3.693,1005 6.172,1006 7.283,1007 0.883,1008 10.681,1009 6.032,1010 8.873,1011 1.186,1012 10.836,1013 3.184,1014 6.538,1015 7.873,1016 0.581,1017 12.355,1018 6.355,1019 10.232,1020 1,1021 12.571,1022 2.982,1023 8.029,1024 9.788,1025 0.68,1026 14.944,1027 7.828,1028 11.616,1029 0.912,1030 14.332,1031 2.139,1032 8.788,1033 10.834,1034 0.515,1035 16.977,1036 8.548,1037 13.021,1038 0.618,1039 16.113,1040 2.136,1041 10.048,1042 12.502,1043 0.541,1044 19.386,1045 9.791,1046 3.14,1047 0.615,1048 17.908,1049 1.524,1050 10.992,1051 13.78,1052 0.441,1053 21.577,1054 10.704,1055 2.936,1056 10.491,1057 19.714,1058 1.372,1059 12.159,1060 15.344,1061 0.438,1062 23.924,1063 11.852,1064 2.742,1065 9.171,1066 21.53,1067 4.519,1068 13.191,1069 16.737,1070 0.373,1071 26.186,1072 12.858,1073 2.616,1074 8.837,1075 23.353,1076 3.732,1077 14.321,1078 18.26,1079 0.358,1080 28.514,1081 13.969,1082 2.244,1083 7.479,1084 25.183,1085 3.455,1086 15.395,1087 19.709,1088 0.314,1089 30.811,1090 15.022,1091 1.988,1092 6.547,1093 27.017,1094 2.986,1095 16.513,1096 21.216,1097 0.296,1098 33.136,1099 16.122,1100 1.782,1101 5.841,1102 28.856,1103 2.763,1104 17.609,1105 22.693,1106 0.264,1107 35.451,1108 17.199,1109 13773,1110 19817,1111 24.156,1112 40.927,1113 53.437,1114 52.287,1115 52.92,1116 52.403,1117 52.415,1118 67.763,1119 3.778,1120 149.592,1121 50.46,1122 5.535,1123 5.263,1124 6.381,1125 5.18,1126 5.14,1127 7.519,1128 1.605,1129 17.294,1130 5.081,1131 10.209,1132 1.527,1133 1.494,1134 1.512,1135 1.497,1136 1.498,1137 1.936,1138 0.108,1139 4.274,1140 1.442,1141 4.162,1142 4.199,1143 4.119,1144 4.069,1145 5.033,1146 4.077,1147 3.947,1148 3.998,1149 3.861,1150 3.861,1151 4.876,1152 3.855,1153 3.883,1154 3.936,1155 3.817,1156 3.75,1157 4.756,1158 3.751,1159 3.831,1160 3.889,1161 3.748,1162 3.646,1163 4.405,1164 3.672,1165 3.518,1166 3.602,1167 3.381,1168 3.327,1169 4.231,1170 3.328,1171 3.349,1172 3.406,1173 3.244,1174 3.213,1175 4.163,1176 3.213,1177 3.147,1178 3.252,1179 2.96,1180 2.953,1181 3.796,1182 2.942,1183 3.109,1184 3.196,1185 2.909,1186 2.903,1187 3.706,1188 2.892,1189 0.131,1190 0.093,1191 0.188,1192 0.118,1193 0.09,1194 4.573,1195 0.129,1196 3.263,1197 0.026,1198 6.579,1199 0.3,1200 4.12,1201 0.088,1202 3.14,1203 4.519,1204 0.916,1205 10.491,1206 3.081,1207 1.961,1208 1.937,1209 2.053,1210 2.052,1211 1.368,1212 2.05,1213 1.917,1214 1.884,1215 2.04,1216 2.019,1217 1.252,1218 2.032,1219 1.729,1220 1.676,1221 1.929,1222 1.884,1223 1.149,1224 1.901,1225 1.657,1226 1.592,1227 1.861,1228 1.859,1229 1.103,1230 1.868,1231 1.439,1232 1.371,1233 1.68,1234 1.693,1235 0.821,1236 1.681,1237 1.398,1238 1.326,1239 1.619,1240 1.626,1241 0.75,1242 1.637,1243 1.355,1244 1.278,1245 1.563,1246 1.553,1247 0.634,1248 1.567,1249 1.274,1250 1.203,1251 1.44,1252 1.519,1253 0.524,1254 1.502,1255 4.263,1257 5.587,1258 3.434,1259 7.084,1260 5.733,1261 8.661,1262 7.758,1263 10.282,1265 4.533,1271 5.679,1275 1.307,1276 5.027,1280 37.955,1281 81.759,1282 217.082,1283 302.896,1284 328.896,1285 341.65,1286 341.65,1287 37.59,1288 8.152,1289 40.09,1290 40.09,1291 27,1292 12.684,1293 4.459,1294 3.524,1295 43.808,1296 143,1297 146,1298 0.146,1299 230.829,1300 384.2,1301 554.983,1302 45225,1304 21.209,1305 0.684,1306 0.594,1307 21.209,1308 18.407,1309 15.153,1310 0.433,1311 0.319,1312 11.035,1313 14.702,1314 10.685,1315 8.904,1316 15.153,1317 11.165,1318 13.77,1319 0.281,1320 0.186,1321 13.77,1322 9.095,1323 11.616,1324 0.179,1325 0.102,1326 11.616,1327 6.649,1328 10.072,1329 0.116,1330 0.059,1331 10.072,1332 5.129,1333 7.371,1334 0.074,1335 0.033,1336 7.371,1337 3.313,1338 0.235,1339 93.803,1340 0.203,1341 29.566,1342 0.388,1343 168,1344 360.913,1345 177.408,1346 363.392,1347 514.35,1348 344,1349 198,1350 390.479,1351 209.518,1352 406.166,1353 588.1,1354 379,1355 9.046} {0 CHEMBL84165,1 1.545,2 12.242,3 2.935,4 8.615,5 127.811,6 7.219,7 0.444,8 4.215,9 4.346,10 3.749,11 3.725,12 5.298,13 3.706,14 4.766,15 4.959,16 4.104,17 4.131,18 5.827,19 4.084,20 4.997,21 5.199,22 4.133,23 4.273,24 6.062,25 4.189,26 5.115,27 5.354,28 4.058,29 4.254,30 6.182,31 4.149,32 5.048,33 5.298,34 4.062,35 4.207,36 6.038,37 4.118,38 4.999,39 5.208,40 4.163,41 4.239,42 6.115,43 4.176,44 5.074,45 5.291,46 4.114,47 4.281,48 6.14,49 4.193,50 5.13,51 5.387,52 4.012,53 4.255,54 6.091,55 4.145,56 0.035,57 0.939,58 13.162,59 5.326,60 8.239,61 7.39,62 0.414,63 1.495,64 25.2,65 8.815,66 28.922,67 12.741,68 0.354,69 1.73,70 32.409,71 12.158,72 49.613,73 16.962,74 0.532,75 1.804,76 38.705,77 12.931,78 102.188,79 18.583,80 0.409,81 1.726,82 36.19,83 11.944,84 62.208,85 17.437,86 0.379,87 1.723,88 33.074,89 11.384,90 57.542,91 16.085,92 0.384,93 1.836,94 35.835,95 12.227,96 63.341,97 17.389,98 0.55,99 1.825,100 39.976,101 12.71,102 78.779,103 18.574,104 29,105 50,106 0.247,107 0.573,108 0.749,109 0.832,110 0.856,111 0.856,112 3.532,113 0.926,114 -2.75,115 -2.76,116 -2.68,119 40.3,121 2,124 2,125 4,140 8,141 4,150 2,156 2,157 1,169 13,171 2,172 2,174 3,176 4,178 14,182 3,184 2,185 1,186 6,189 10,192 1,193 8,197 6,199 4,203 9,206 1,208 6,211 3,214 1,215 11,218 1,220 6,222 4,226 9,229 1,231 5,233 8,237 3,242 2,244 11,248 2,249 4,252 3,253 1,254 1,256 11,259 2206,260 22.137,261 22.137,262 22.137,263 22.137,264 22.137,265 19.904,266 24.188,267 13.097,268 22.452,269 17.754,270 17.754,271 17.754,272 17.754,273 17.754,274 14.126,275 24.536,276 6.247,277 18.192,278 4.409,279 2.376,280 1.275,281 0.758,282 0.605,283 0.605,284 4.225,288 1,289 1,290 865,291 4.062,294 180.652,295 211.734,298 145.654,302 2.219,303 34.501,306 1,307 1,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.88,314 71.5,315 404,316 4.675,317 3.932,318 6.848,319 4.238,320 3.252,321 4.618,322 2.035,323 11.41,324 3.205,325 4.185,326 3.629,327 6.411,328 3.956,329 2.997,330 3.469,331 1.597,332 9.706,333 2.862,334 3.979,335 3.291,336 5.94,337 3.618,338 2.622,339 3.419,340 1.081,341 8.228,342 2.606,343 3.879,344 3.134,345 5.351,346 3.489,347 2.492,348 3.376,349 0.8,350 6.982,351 2.484,352 3.565,353 2.724,354 5.258,355 3.226,356 2.248,357 2.886,358 0.495,359 6.607,360 2.216,361 3.357,362 2.664,363 5.127,364 3.139,365 2.19,366 2.623,367 0.473,368 5.924,369 2.058,370 3.214,371 2.537,372 4.732,373 2.833,374 1.863,375 2.303,377 5.028,378 1.796,379 3.141,380 2.101,381 4.629,382 2.777,383 1.732,384 2.182,386 4.726,387 1.785,388 2.934,389 1.867,390 4.328,391 2.515,392 1.529,393 2.104,395 3.832,396 1.508,397 2.737,398 1.647,399 4.046,400 2.333,401 1.38,402 1.778,404 3.457,405 1.311,406 2.5,407 1.542,408 3.679,409 2.241,410 1.262,411 1.5,413 3.075,414 1.229,415 2.465,416 1.438,417 3.556,418 2,419 1,420 1.444,422 2.36,423 1,424 2.259,425 1.141,426 3.247,427 1.923,428 0.953,429 1.185,431 2.136,432 0.922,433 1.793,434 1.053,435 3.234,436 1.609,437 0.643,438 0.706,440 1.519,441 0.618,442 1.737,443 1,444 2.995,445 1.405,446 0.411,447 0.513,449 0.946,450 0.403,451 15.5,452 0.47,453 0.839,454 0.025,455 40.25,456 1.22,457 18.5,458 0.561,459 21.75,460 0.659,461 29.565,462 0.896,463 36.1,464 0.582,465 34.015,466 1.031,467 8.32,468 0.252,469 7.599,470 0.23,471 0.129,473 0.342,479 0.737,480 1.44,481 0.817,482 1.131,483 0.532,484 0.998,485 0.673,486 0.967,487 0.876,488 0.888,489 0.517,490 0.894,491 0.855,492 1.14,493 1.031,494 1.186,495 0.926,496 1.148,497 1.067,498 1.061,499 1.036,500 1.035,501 1.104,502 1.035,503 0.968,504 0.951,505 0.887,506 0.897,507 0.891,508 0.878,509 1.066,510 1.112,511 0.976,512 1.049,513 1.026,514 1.005,515 1.119,516 1.158,517 1.139,518 1.157,519 1.037,520 1.149,521 1.165,522 0.858,523 1.04,524 0.852,525 1.096,526 0.91,527 6.5,528 0.251,529 4,530 2.431,531 1.579,532 1.184,533 0.872,534 0.588,535 0.431,536 0.303,537 15580,538 41092,539 2.061,540 46.8,542 22,545 3,547 4,550 1.756,551 1.922,552 3.547,553 0.832,555 1,559 95.818,560 1.545,561 3.578,562 4.68,563 5.196,564 5.349,565 5.349,566 3.057,567 4.62,568 5.01,569 3.803,570 2007.85,571 8.8,572 30616.3,574 1,577 369.16,578 1.434,579 4.971,580 0.181,581 0.008,582 0.08,583 0.05,584 0.036,585 0.026,586 0.017,587 0.013,588 0.01,589 0.008,590 0.427,591 0.33,592 1,593 1.024,594 175.788,595 -0.053,596 -0.189,597 0.044,598 -0.044,599 -0.032,600 0.006,601 0.141,602 0.198,603 0.049,604 0.119,605 0.064,606 0.079,607 0.028,608 -0.09,609 -0.095,610 -0.148,611 -0.032,612 -0.144,613 -0.04,614 -0.096,615 -0.048,616 -0.045,617 -0.014,618 -0.048,619 -0.047,620 0.029,621 0.097,622 0.083,623 -0.011,624 0.11,625 -0.045,626 -0.064,627 -0.012,628 -0.046,629 -0.003,630 -0.027,631 -0.134,632 -0.115,633 -0.177,634 -0.162,635 -0.073,636 -0.173,637 -0.167,638 0.108,639 -0.043,640 0.113,641 -0.12,642 0.067,643 2.008,644 6.065,645 0.606,646 41.541,647 1.002,648 1.131,649 1.518,650 2.303,651 0.654,652 3.611,653 3.932,654 4.19,655 4.443,656 4.635,657 4.727,658 4.868,659 5.037,660 5.142,661 5.242,662 7.575,663 0.622,664 447.59,665 3.611,666 5.153,667 5.999,668 6.874,669 7.743,670 8.627,671 9.507,672 10.397,673 11.285,674 12.18,675 8.1,678 1,682 3,683 1,687 2,688 8,690 1,693 4,695 16,702 1,714 62,716 19,717 2,718 36,720 65,721 25,722 14,723 4,724 8,725 1,730 4,731 5,735 1,743 2,745 17,746 8,750 3,755 3,759 3,761 1,764 29,765 7,766 3,767 8,773 5,775 1,777 0.75,778 3,788 1,792 2,793 2,796 1,815 1,819 3,823 2,827 33,833 6,834 2,838 2,847 4.8,850 3,854 17.167,855 11.567,856 7.25,857 3.631,858 3.028,859 1.383,860 0.99,861 7.236,862 10.942,863 3.871,864 4.44,865 4.993,866 5.564,867 6.081,868 6.383,869 6.769,870 7.187,871 7.365,872 7.591,873 1,874 49,875 12.278,877 5.242,878 7.818,879 23.387,881 19.17,883 2.318,884 76.5,887 1,888 306.049,889 136.81,890 59.056,892 75.435,895 136.81,896 381.483,897 59.056,898 16.793,899 52.638,900 75.81,901 84.844,902 32.04,903 9.177,904 306.049,906 306.049,907 195.866,908 75.435,911 258.964,912 122.519,915 72.548,916 123.318,919 306.049,920 134.49,921 136.81,924 306.049,925 44.208,926 98.851,927 52.807,928 75.435,929 306.049,930 134.49,931 136.81,933 0.581,934 0.33,935 0.174,936 0.095,937 23,938 11,939 0.138,940 9,941 1,942 1.1,943 4.403,944 300.413,945 0.1,946 20,947 160.465,951 23.181,952 10.301,953 5.505,954 1.892,955 117.705,956 15.811,958 3.303,961 3.603,963 52.807,964 577.349,965 47,970 36.721,974 -0.678,975 62.094,976 70.102,977 0.26,978 0.601,979 0.786,980 0.873,981 0.898,982 0.898,983 5.112,984 1.732,985 5.984,986 5.028,987 4.615,988 5.127,989 2.801,990 6.788,991 4.571,992 6.308,993 1.529,994 7.541,995 4.726,996 4.205,997 4.966,998 2.078,999 7.695,1000 4.149,1001 7.611,1002 1.38,1003 9.198,1004 3.832,1005 6.201,1006 7.301,1007 3.583,1008 10.8,1009 6.112,1010 8.95,1011 1.262,1012 10.917,1013 3.457,1014 6.621,1015 7.997,1016 3.575,1017 12.585,1018 6.516,1019 10.325,1020 1,1021 12.677,1022 3.075,1023 8.089,1024 9.833,1025 4.676,1026 15.216,1027 7.957,1028 11.725,1029 0.953,1030 14.466,1031 2.36,1032 8.897,1033 10.948,1034 5.015,1035 17.368,1036 8.746,1037 13.146,1038 0.643,1039 16.278,1040 2.136,1041 10.16,1042 12.591,1043 5.918,1044 19.847,1045 9.986,1046 3.252,1047 0.411,1048 18.107,1049 1.519,1050 11.153,1051 13.92,1052 6.436,1053 22.153,1054 10.959,1055 2.997,1056 11.41,1057 19.95,1058 0.946,1059 12.338,1060 15.486,1061 7.24,1062 24.584,1063 12.125,1064 2.622,1065 9.706,1066 21.804,1067 4.618,1068 13.418,1069 16.919,1070 7.849,1071 26.955,1072 13.186,1073 2.492,1074 8.228,1075 23.668,1076 3.469,1077 14.578,1078 18.457,1079 8.604,1080 29.375,1081 14.328,1082 2.248,1083 6.982,1084 25.54,1085 3.419,1086 15.698,1087 19.941,1088 9.261,1089 31.775,1090 15.431,1091 2.19,1092 6.607,1093 27.418,1094 3.376,1095 16.853,1096 21.471,1097 9.993,1098 34.195,1099 16.569,1100 1.863,1101 5.924,1102 29.301,1103 2.886,1104 17.994,1105 22.979,1106 10.675,1107 36.608,1108 17.695,1109 14942,1110 24438,1111 23.868,1112 40.529,1113 54.301,1114 56.439,1115 55.627,1116 53.795,1117 53.856,1118 69.044,1119 12.96,1120 153.518,1121 52.693,1122 5.622,1123 5.932,1124 6.65,1125 5.285,1126 5.252,1127 7.618,1128 3.512,1129 18.704,1130 5.205,1131 17.373,1132 1.508,1133 1.568,1134 1.545,1135 1.494,1136 1.496,1137 1.918,1138 0.36,1139 4.264,1140 1.464,1141 4.159,1142 4.189,1143 4.122,1144 4.076,1145 7.447,1146 4.084,1147 3.909,1148 3.944,1149 3.835,1150 3.848,1151 7.429,1152 3.84,1153 3.844,1154 3.893,1155 3.791,1156 3.614,1157 7.409,1158 3.645,1159 3.668,1160 3.745,1161 3.558,1162 3.496,1163 4.926,1164 3.509,1165 3.574,1166 3.627,1167 3.466,1168 3.358,1169 4.753,1170 3.374,1171 3.374,1172 3.444,1173 3.255,1174 3.167,1175 4.333,1176 3.178,1177 3.214,1178 3.297,1179 3.036,1180 3.051,1181 4.272,1182 3.037,1183 3.081,1184 3.165,1185 2.916,1186 2.891,1187 4.133,1188 2.886,1189 0.13,1190 0.109,1191 0.19,1192 0.118,1193 0.09,1194 4.675,1195 0.128,1196 3.932,1197 0.057,1198 6.848,1199 0.317,1200 4.238,1201 0.089,1202 3.252,1203 4.618,1204 2.035,1205 11.41,1206 3.205,1207 1.97,1208 1.948,1209 2.069,1210 2.048,1211 1.306,1212 2.056,1213 1.911,1214 1.881,1215 2.041,1216 2.008,1217 1.172,1218 2.019,1219 1.716,1220 1.668,1221 1.911,1222 1.912,1223 1.148,1224 1.916,1225 1.556,1226 1.501,1227 1.732,1228 1.802,1229 0.954,1230 1.779,1231 1.507,1232 1.437,1233 1.709,1234 1.75,1235 0.809,1236 1.736,1237 1.391,1238 1.33,1239 1.617,1240 1.685,1241 0.79,1242 1.662,1243 1.277,1244 1.201,1245 1.551,1246 1.519,1247 0.687,1248 1.535,1249 1.17,1250 1.122,1251 1.417,1252 1.433,1253 0.521,1254 1.418,1255 4.29,1257 5.609,1258 3.045,1259 7.106,1260 5.476,1261 8.685,1262 7.609,1263 10.313,1265 4.015,1271 2.933,1272 5.563,1276 3.336,1280 38.573,1281 95.818,1282 221.837,1283 290.141,1284 322.141,1285 331.65,1286 331.65,1287 71.186,1288 7.914,1289 97.54,1290 97.54,1291 22,1292 12.707,1293 4.322,1294 3.585,1295 54.153,1296 144,1297 157,1298 0.176,1299 237.692,1300 413.89,1301 571.728,1302 31185,1304 23.372,1305 0.708,1306 0.575,1307 23.372,1308 18.981,1309 15.919,1310 0.442,1311 0.309,1312 10.942,1313 15.312,1314 10.635,1315 8.838,1316 15.919,1317 11.107,1318 14.469,1319 0.289,1320 0.171,1321 14.469,1322 8.534,1323 11.842,1324 0.182,1325 0.09,1326 11.842,1327 5.864,1328 9.589,1329 0.114,1330 0.048,1331 9.589,1332 4.028,1333 7.606,1334 0.075,1335 0.027,1336 7.606,1337 2.74,1338 0.277,1339 99.88,1340 0.205,1341 30.847,1342 0.482,1343 172,1344 497.495,1345 188.468,1346 480.761,1347 647.4,1348 448,1349 201,1350 464.472,1351 217.97,1352 473.206,1353 690.21,1354 443,1355 5.88} {0 CHEMBL84171,1 1.462,2 14,3 3.304,4 10.916,5 127.101,6 7.075,7 0.444,8 4.21,9 4.329,10 3.741,11 3.753,12 5.243,13 3.727,14 4.78,15 4.949,16 4.104,17 4.179,18 5.782,19 4.131,20 5.03,21 5.225,22 4.169,23 4.36,24 5.96,25 4.273,26 5.134,27 5.352,28 4.088,29 4.386,30 6.014,31 4.258,32 5.185,33 5.453,34 3.996,35 4.31,36 5.954,37 4.159,38 5.083,39 5.346,40 3.92,41 4.179,42 5.893,43 4.052,44 4.971,45 5.212,46 3.827,47 4.107,48 5.879,49 3.98,50 4.918,51 5.179,52 3.612,53 4.046,54 5.692,55 3.875,56 0.042,57 0.87,58 13.441,59 5.805,60 10.526,61 7.68,62 0.278,63 1.432,64 25.775,65 9.949,66 33.861,67 13.328,68 0.281,69 1.775,70 33.675,71 13.347,72 38.443,73 18.079,74 0.309,75 1.929,76 37.83,77 15.022,78 43.55,79 20.857,80 0.332,81 1.947,82 41.578,83 15.518,84 42.024,85 22.398,86 0.417,87 1.758,88 38.088,89 13.013,90 46.611,91 18.643,92 0.537,93 1.575,94 33.74,95 11.567,96 56.886,97 16.312,98 0.36,99 1.471,100 31.937,101 11.861,102 39.448,103 16.852,104 14,105 51,106 0.235,107 0.617,108 0.836,109 0.898,110 0.898,111 0.898,112 3.502,113 0.936,114 -3.58,115 -3.56,116 -3.39,119 42.6,121 3,124 1,125 4,127 1,134 1,135 1,140 6,141 5,142 1,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 9,173 1,174 1,176 4,178 16,180 1,182 7,186 5,189 13,191 2,192 1,193 7,197 4,199 10,201 2,203 7,206 1,208 2,211 5,213 2,215 8,218 1,222 5,225 1,226 4,228 1,229 1,231 1,233 6,235 1,236 1,237 2,242 1,244 10,248 1,249 1,251 1,252 1,256 9,259 1710,260 22.041,261 22.041,262 22.041,263 22.041,264 22.041,265 19.846,266 24.247,267 12.789,268 22.499,269 17.702,270 17.702,271 17.702,272 17.702,273 17.702,274 14.221,275 26.341,276 5.968,277 18.327,278 4.469,279 2.087,280 0.726,281 0.34,282 0.34,283 0.34,284 4.214,288 1,289 1,290 993,291 3.317,294 73.533,295 360.19,298 136.875,299 148.705,302 2.063,303 24.83,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 68.5,315 448,316 4.609,317 3.522,318 6.718,319 4.159,320 3.171,321 4.545,322 1.151,323 10.944,324 3.133,325 4.384,326 3.368,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 3.955,335 3.247,336 5.903,337 3.649,338 2.663,339 3.357,340 0.916,341 8.14,342 2.634,343 3.929,344 2.936,345 5.782,346 3.589,347 2.614,348 3.265,349 0.86,350 7.922,351 2.54,352 3.624,353 2.716,354 5.338,355 3.314,356 2.376,357 2.984,358 0.172,359 6.897,360 2.222,361 3.407,362 2.483,363 5.219,364 3.109,365 2.161,366 2.512,368 6.466,369 2.039,370 3.167,371 2.377,372 5.133,373 2.946,374 1.98,375 2.284,377 5.996,378 1.902,379 2.988,380 1.979,381 4.581,382 2.538,383 1.571,384 2.118,386 4.441,387 1.52,388 2.881,389 1.792,390 4.189,391 2.502,392 1.522,393 1.964,395 3.82,396 1.48,397 2.648,398 1.624,399 3.983,400 2.184,401 1.184,402 1.691,404 3.089,405 1.17,406 2.596,407 1.412,408 3.783,409 2.137,410 1.18,411 1.566,413 2.831,414 1.123,415 2.22,416 1.289,417 3.447,418 1.987,419 1.019,420 1.185,422 2.392,423 0.983,424 2.143,425 1.174,426 3.414,427 1.984,428 1,429 1.049,431 2.275,432 0.979,433 2.044,434 1.028,435 3.262,436 1.676,437 0.729,438 0.952,440 1.658,441 0.685,442 1.67,443 0.783,444 3.138,445 1.511,446 0.555,447 0.609,449 1.295,450 0.526,451 15.2,452 0.475,453 0.725,454 0.023,455 38.25,456 1.195,457 17.5,458 0.547,459 20.75,460 0.648,461 29.856,462 0.933,463 34.6,464 0.567,465 28.705,466 0.897,467 7.609,468 0.238,469 8.009,470 0.25,471 0.081,473 0.355,479 0.857,480 1.218,481 0.832,482 1.067,483 0.722,484 0.957,485 1.155,486 0.978,487 0.946,488 0.909,489 0.602,490 0.896,491 1.046,492 1.055,493 1.036,494 1.052,495 0.806,496 1.046,497 0.809,498 1.184,499 1.113,500 1.224,501 0.817,502 1.216,503 0.636,504 1.074,505 0.899,506 1.065,507 0.608,508 1.028,509 1.057,510 0.975,511 0.99,512 0.948,513 0.897,514 0.954,515 1.142,516 0.97,517 1.148,518 0.999,519 1.078,520 1.058,521 0.869,522 1.01,523 1.107,524 1.073,525 0.854,526 1.12,527 6,528 0.144,529 4,530 1.757,531 1.787,532 1.108,533 0.629,534 0.346,535 0.244,536 0.234,537 16447,538 39896,539 2.154,540 47.5,542 19,543 1,545 3,547 4,548 2,550 1.738,551 2.043,552 3.735,553 0.791,555 1,559 89.172,560 1.462,561 3.843,562 5.205,563 5.59,564 5.59,565 5.59,566 3.198,567 4.625,568 4.973,569 3.931,570 1949.98,571 8.662,572 29580.9,574 1,577 361.775,578 1.317,579 4.943,580 0.167,581 0.005,582 0.078,583 0.033,584 0.039,585 0.027,586 0.017,587 0.01,588 0.009,589 0.01,590 0.395,591 0.33,592 0.88,593 0.726,594 171.042,595 -0.041,596 -0.033,597 0.059,598 0.004,599 -0.053,600 0.042,601 -0.085,602 0.121,603 0.006,604 0.112,605 0.096,606 0.08,607 -0.114,608 -0.019,609 -0.089,610 -0.025,611 -0.006,612 -0.049,613 -0.024,614 -0.181,615 -0.171,616 -0.204,617 -0.05,618 -0.21,619 0.08,620 -0.131,621 0.068,622 -0.077,623 0.034,624 -0.019,625 -0.057,626 -0.005,627 0.014,628 0.005,629 -0.053,630 0.017,631 -0.023,632 0.022,633 -0.145,634 -0.04,635 -0.033,636 -0.097,637 -0.04,638 -0.067,639 -0.133,640 -0.086,641 -0.092,642 -0.12,643 2.041,644 4.487,645 0.781,646 34.188,647 0.996,648 1.123,649 2.353,650 5.538,651 0.66,652 3.611,653 3.951,654 4.263,655 4.533,656 4.796,657 4.905,658 5.037,659 5.112,660 5.209,661 5.257,662 8.127,663 0.624,664 431.58,665 3.611,666 5.165,667 6.033,668 6.919,669 7.803,670 8.693,671 9.582,672 10.475,673 11.366,674 12.26,675 4.9,678 1,682 1,683 1,687 2,688 7,690 1,693 5,695 16,701 1,712 1,714 61,716 18,717 2,718 36,720 65,721 26,722 14,723 6,724 6,725 3,730 5,731 7,740 3,743 4,745 17,746 9,750 2,755 1,757 1,759 2,761 1,764 29,765 5,766 3,767 6,773 3,777 0.6,778 3,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,823 1,827 32,828 1,833 7,835 2,837 1,838 1,847 4.9,850 1,851 1,852 1,854 15.667,855 11.033,856 7,857 3.703,858 3.578,859 1.421,860 1.018,861 6.048,862 12.074,863 3.85,864 4.451,865 5.062,866 5.649,867 6.18,868 6.508,869 6.85,870 7.102,871 7.194,872 7.363,873 1,874 53,875 11.859,877 5.094,878 7.604,879 23.203,881 19.738,883 2.104,884 67.333,887 1,888 306.049,889 135.37,890 52.807,892 47.145,895 135.37,896 353.193,897 52.807,898 10.883,899 51.41,900 75.381,901 40.849,902 54.654,903 13.915,904 294.278,906 306.049,907 188.177,908 47.145,911 235.422,912 106.771,913 11,915 71.32,916 107.381,917 9.476,919 306.049,920 99.952,921 135.37,924 306.049,925 49.106,926 89.389,927 16.786,928 80.042,929 306.049,930 99.952,931 135.37,933 0.584,934 0.35,935 0.187,936 0.106,937 26,938 11,939 0.092,940 6,941 2,942 1.16,943 4.427,944 295.987,945 0.16,946 25,947 160,951 21.259,952 9.103,953 4.364,954 2.35,955 83.166,956 14.031,958 3.381,961 5.115,963 49.683,964 541.371,965 46,970 11.487,972 2.348,974 1.013,975 60.774,976 68.521,977 0.246,978 0.648,979 0.878,980 0.943,981 0.943,982 0.943,983 5.106,984 1.571,985 6.019,986 5.996,987 4.635,988 5.139,989 2.146,990 6.843,991 4.577,992 6.306,993 1.522,994 7.585,995 4.441,996 4.205,997 4.977,998 0.325,999 7.769,1000 4.141,1001 7.619,1002 1.184,1003 9.25,1004 3.82,1005 6.244,1006 7.348,1007 2.128,1008 10.863,1009 6.148,1010 8.968,1011 1.18,1012 10.974,1013 3.089,1014 6.648,1015 8.055,1016 0.393,1017 12.625,1018 6.552,1019 10.351,1020 1.019,1021 12.735,1022 2.831,1023 8.136,1024 9.898,1025 2.189,1026 15.235,1027 8.016,1028 11.758,1029 1,1030 14.522,1031 2.392,1032 8.921,1033 11.011,1034 0.384,1035 17.344,1036 8.803,1037 13.184,1038 0.729,1039 16.328,1040 2.275,1041 10.189,1042 12.644,1043 2.303,1044 19.794,1045 10.053,1046 3.171,1047 0.555,1048 18.148,1049 1.658,1050 11.157,1051 13.955,1052 0.351,1053 22.051,1054 11.019,1055 3.077,1056 10.944,1057 19.981,1058 1.295,1059 12.336,1060 15.502,1061 2.457,1062 24.448,1063 12.185,1064 2.663,1065 10.291,1066 21.822,1067 4.545,1068 13.391,1069 16.91,1070 0.312,1071 26.77,1072 13.234,1073 2.614,1074 8.14,1075 23.672,1076 4.006,1077 14.537,1078 18.424,1079 2.643,1080 29.149,1081 14.368,1082 2.376,1083 7.922,1084 25.527,1085 3.357,1086 15.634,1087 19.88,1088 0.273,1089 31.5,1090 15.457,1091 2.161,1092 6.897,1093 27.389,1094 3.265,1095 16.769,1096 21.383,1097 2.853,1098 33.875,1099 16.582,1100 1.98,1101 6.466,1102 29.255,1103 2.984,1104 17.886,1105 22.862,1106 0.236,1107 36.24,1108 17.689,1109 15211,1110 23789,1111 24.561,1112 40.279,1113 54.751,1114 55.568,1115 55.837,1116 54.245,1117 54.302,1118 69.001,1119 8.159,1120 158.065,1121 52.571,1122 5.574,1123 5.522,1124 6.268,1125 5.244,1126 5.171,1127 7.545,1128 2.302,1129 18.075,1130 5.133,1131 13.813,1132 1.521,1133 1.544,1134 1.551,1135 1.507,1136 1.508,1137 1.917,1138 0.227,1139 4.391,1140 1.46,1141 4.146,1142 4.177,1143 4.106,1144 4.064,1145 7.437,1146 4.071,1147 4.014,1148 4.036,1149 3.958,1150 3.943,1151 5.009,1152 3.943,1153 3.815,1154 3.871,1155 3.717,1156 3.684,1157 4.904,1158 3.684,1159 3.583,1160 3.619,1161 3.498,1162 3.426,1163 4.747,1164 3.433,1165 3.473,1166 3.517,1167 3.381,1168 3.286,1169 4.637,1170 3.299,1171 3.364,1172 3.432,1173 3.209,1174 3.197,1175 4.417,1176 3.191,1177 3.224,1178 3.288,1179 3.099,1180 2.992,1181 4.371,1182 3.011,1183 3.133,1184 3.214,1185 2.949,1186 2.914,1187 4.036,1188 2.911,1189 0.128,1190 0.098,1191 0.187,1192 0.116,1193 0.088,1194 4.609,1195 0.126,1196 3.522,1197 0.032,1198 6.718,1199 0.304,1200 4.159,1201 0.087,1202 3.171,1203 4.545,1204 1.151,1205 10.944,1206 3.133,1207 1.987,1208 1.967,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.952,1214 1.934,1215 2.048,1216 2.039,1217 1.303,1218 2.042,1219 1.82,1220 1.774,1221 1.965,1222 1.976,1223 1.137,1224 1.976,1225 1.563,1226 1.518,1227 1.759,1228 1.752,1229 1.04,1230 1.75,1231 1.44,1232 1.385,1233 1.664,1234 1.671,1235 0.86,1236 1.662,1237 1.348,1238 1.279,1239 1.59,1240 1.575,1241 0.705,1242 1.591,1243 1.213,1244 1.151,1245 1.551,1246 1.488,1247 0.673,1248 1.514,1249 1.132,1250 1.075,1251 1.429,1252 1.435,1253 0.58,1254 1.424,1255 4.29,1257 5.624,1258 2.398,1259 7.159,1260 4.727,1261 8.782,1262 6.843,1263 10.453,1265 1.705,1269 5.439,1271 6.429,1273 11.479,1275 0.076,1276 2.481,1280 38.057,1281 89.172,1282 234.452,1283 317.51,1284 341.02,1285 341.02,1286 341.02,1287 48.287,1288 8.496,1289 80.58,1290 80.58,1291 29,1292 12.787,1293 4.248,1294 3.459,1295 46.1,1296 160,1297 139,1298 0.14,1299 229.229,1300 399.47,1301 551.08,1302 70264,1304 22.079,1305 0.69,1306 0.575,1307 22.079,1308 18.395,1309 15.619,1310 0.434,1311 0.312,1312 11.082,1313 15.045,1314 10.83,1315 8.889,1316 15.619,1317 11.233,1318 14.043,1319 0.275,1320 0.168,1321 14.043,1322 8.57,1323 12.377,1324 0.177,1325 0.096,1326 12.377,1327 6.7,1328 10.27,1329 0.112,1330 0.053,1331 10.27,1332 4.881,1333 8.603,1334 0.072,1335 0.03,1336 8.603,1337 3.562,1338 0.228,1339 97.667,1340 0.202,1341 30.382,1342 0.365,1343 174,1344 454.497,1345 187.465,1346 435.983,1347 602.92,1348 412,1349 208,1350 441.657,1351 221.302,1352 449.844,1353 661.78,1354 424,1355 7.509} {0 CHEMBL84305,1 1.606,2 14,3 4.649,4 21.615,5 130.247,6 8.253,7 0.444,8 4.151,9 4.262,10 3.808,11 3.754,12 5.199,13 3.72,14 4.721,15 4.876,16 4.223,17 4.199,18 5.758,19 4.141,20 5.006,21 5.192,22 4.424,23 4.389,24 6.009,25 4.291,26 5.085,27 5.293,28 4.247,29 4.383,30 6.026,31 4.25,32 5.108,33 5.366,34 4.045,35 4.281,36 5.914,37 4.121,38 5.008,39 5.271,40 3.968,41 4.138,42 5.833,43 3.999,44 4.88,45 5.116,46 3.958,47 4.08,48 5.83,49 3.942,50 4.806,51 5.044,52 3.765,53 4.012,54 5.665,55 3.837,56 0.043,57 0.794,58 10.385,59 5.139,60 8.779,61 6.586,62 0.231,63 1.331,64 21.979,65 9.341,66 27.378,67 11.998,68 0.395,69 1.662,70 38.289,71 13.391,72 44.822,73 17.197,74 0.395,75 1.773,76 39.312,77 14.769,78 48.378,79 19.483,80 0.357,81 1.795,82 43.309,83 15.443,84 47.127,85 21.034,86 0.444,87 1.634,88 38.613,89 13.204,90 50.794,91 17.79,92 0.539,93 1.401,94 35.416,95 11.698,96 59.984,97 15.38,98 0.394,99 1.268,100 36.933,101 11.554,102 45.98,103 15.265,104 18,105 52,106 0.261,107 0.644,108 0.841,109 0.903,110 0.903,111 0.903,112 3.502,113 0.973,114 -4.82,115 -4.73,116 -4.45,119 43.9,121 3,125 4,127 1,134 1,135 1,140 5,141 5,142 2,149 1,150 1,156 1,161 1,162 1,163 1,169 13,172 7,173 1,174 1,176 3,178 16,180 1,182 5,186 5,189 15,191 2,192 1,193 6,197 6,199 12,201 2,203 6,208 2,211 6,213 2,215 6,218 1,222 6,225 1,226 4,228 1,229 1,231 1,233 8,235 1,237 2,242 1,244 10,248 1,249 2,251 1,252 1,256 9,259 1690,260 21.723,261 21.723,262 21.723,263 21.723,264 21.723,265 19.403,266 22.101,267 12.465,268 22.209,269 17.716,270 17.716,271 17.716,272 17.716,273 17.716,274 14.161,275 22.596,276 5.852,277 18.635,278 4.227,279 1.871,280 0.66,281 0.281,282 0.281,283 0.281,284 4.211,285 2,289 1,290 993,291 3.24,294 72.463,295 358.779,298 135.93,299 148.144,302 2.063,303 28.712,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.167,315 448,316 4.679,317 3.522,318 6.844,319 4.206,320 3.24,321 4.639,322 1.151,323 11.324,324 3.141,325 4.384,326 3.468,327 6.529,328 4.063,329 3.077,330 4.006,331 0.98,332 10.291,333 3.037,334 4.099,335 3.368,336 6.197,337 3.699,338 2.762,339 3.58,340 0.916,341 8.98,342 2.635,343 3.932,344 3.112,345 5.903,346 3.639,347 2.643,348 3.265,349 0.172,350 8.139,351 2.56,352 3.646,353 2.81,354 5.483,355 3.368,356 2.451,357 2.932,359 7.098,360 2.219,361 3.352,362 2.483,363 5.288,364 3.023,365 2.076,366 2.499,368 6.377,369 1.941,370 3.172,371 2.384,372 5.13,373 2.907,374 1.96,375 2.362,377 5.98,378 1.788,379 3.104,380 2.095,381 4.695,382 2.62,383 1.675,384 2.211,386 4.672,387 1.555,388 2.881,389 1.978,390 4.191,391 2.529,392 1.569,393 1.968,395 3.824,396 1.498,397 2.679,398 1.792,399 4.071,400 2.197,401 1.223,402 1.718,404 3.263,405 1.181,406 2.596,407 1.426,408 3.783,409 2.165,410 1.182,411 1.566,413 2.831,414 1.139,415 2.24,416 1.346,417 3.536,418 1.985,419 1.02,420 1.192,422 2.396,423 0.983,424 2.202,425 1.246,426 3.444,427 1.984,428 1,429 1.092,431 2.275,432 0.975,433 2.056,434 1.133,435 3.414,436 1.703,437 0.797,438 1.021,440 2.003,441 0.69,442 1.661,443 0.761,444 3.151,445 1.505,446 0.544,447 0.597,449 1.327,450 0.515,451 15.795,452 0.494,453 0.836,454 0.026,455 37.75,456 1.18,457 17,458 0.531,459 20.75,460 0.648,461 31.926,462 0.998,463 34.005,464 0.597,465 27.508,466 0.86,467 7.3,468 0.228,469 8.208,470 0.257,471 0.137,473 0.374,479 0.741,480 1.155,481 0.592,482 0.871,483 0.653,484 0.844,485 0.911,486 1.014,487 0.677,488 0.83,489 0.524,490 0.862,491 0.904,492 1.04,493 0.766,494 0.951,495 0.719,496 0.98,497 0.825,498 1.156,499 0.92,500 1.134,501 0.788,502 1.163,503 0.719,504 1.086,505 0.783,506 1.022,507 0.643,508 1.038,509 0.935,510 0.944,511 0.701,512 0.849,513 0.815,514 0.905,515 1.025,516 0.929,517 0.943,518 0.918,519 1.018,520 0.986,521 0.988,522 1.019,523 1.249,524 1.174,525 0.985,526 1.181,527 6,528 0.16,529 4.667,530 2.097,531 1.983,532 1.101,533 0.655,534 0.409,535 0.244,536 0.254,537 16395,538 47664,539 2.135,540 43.9,542 15,543 1,545 3,547 4,548 2,550 1.738,551 2,552 3.729,553 0.822,559 91.527,560 1.606,561 3.962,562 5.173,563 5.552,564 5.552,565 5.552,566 3.198,567 4.75,568 4.974,569 3.928,570 1948.31,571 8.659,572 29483.9,577 332.475,578 1.406,579 4.933,580 0.167,581 0.006,582 0.09,583 0.038,584 0.042,585 0.028,586 0.018,587 0.012,588 0.009,589 0.011,590 0.421,591 0.17,592 0.75,593 0.688,594 170.961,595 -0.059,596 0.007,597 0.014,598 0.037,599 -0.059,600 0.053,601 -0.051,602 0.084,603 0.02,604 0.092,605 0.094,606 0.056,607 -0.001,608 -0.029,609 0.083,610 0.017,611 0.064,612 -0.015,613 -0.004,614 -0.171,615 -0.08,616 -0.165,617 -0.018,618 -0.18,619 0.01,620 -0.136,621 0.029,622 -0.055,623 0.005,624 -0.024,625 -0.035,626 0.033,627 0.076,628 0.088,629 -0.032,630 0.081,631 0.008,632 0.045,633 -0.028,634 0.045,635 -0.006,636 -0.008,637 -0.093,638 -0.081,639 -0.179,640 -0.164,641 -0.134,642 -0.165,643 2.049,644 4.481,645 0.781,646 33.688,647 1.004,648 1.119,649 3.594,650 12.92,651 0.698,652 3.611,653 3.97,654 4.29,655 4.554,656 4.804,657 4.92,658 5.056,659 5.124,660 5.204,661 5.268,662 8.116,663 0.657,664 470.43,665 3.611,666 5.176,667 6.052,668 6.944,669 7.834,670 8.73,671 9.625,672 10.522,673 11.42,674 12.319,675 5.3,678 1,682 1,683 1,687 2,688 6,690 1,693 6,695 16,701 1,713 2,714 57,716 18,717 2,718 36,720 61,721 25,722 14,723 7,724 5,725 3,730 5,731 7,732 2,740 3,743 4,745 17,746 8,750 2,755 1,757 1,759 2,764 25,765 4,766 3,767 7,768 2,773 3,777 0.6,778 2,788 1,792 1,793 4,796 1,797 1,810 1,811 1,815 1,818 1,819 3,824 2,827 32,828 1,833 7,835 1,837 1,838 1,846 2,847 3.5,850 1,851 1,854 16,855 10.069,856 6.889,857 3.524,858 3.604,859 1.424,860 1.029,861 6.212,862 12.101,863 3.85,864 4.474,865 5.095,866 5.68,867 6.201,868 6.544,869 6.89,870 7.129,871 7.185,872 7.354,873 1,874 55,875 11.851,877 5.169,878 7.679,879 23.016,881 19.815,883 2.179,884 69.722,888 258.964,889 116.769,890 52.807,891 78.297,892 36.145,895 116.769,896 373.406,897 52.807,899 51.41,900 65.905,901 40.849,902 45.412,903 13.915,904 247.193,905 78.297,906 258.964,907 169.576,908 36.145,909 78.297,911 188.338,912 95.772,913 11,915 71.32,916 88.779,917 87.774,919 258.964,920 88.952,921 195.066,924 258.964,925 50.864,926 69.029,927 16.786,928 147.339,929 258.964,930 88.952,931 195.066,933 0.593,934 0.357,935 0.187,936 0.103,937 27,938 12,939 0.082,940 5,941 2,942 1.16,943 4.387,944 298.185,945 0.16,946 25,947 160,951 21.838,952 9.102,953 4.324,954 2.006,955 72.166,956 11.643,958 3.278,961 5.269,963 49.683,964 542.982,965 46,970 11.481,972 2.309,974 0.955,975 57.211,976 63.784,977 0.275,978 0.679,979 0.887,980 0.952,981 0.952,982 0.952,983 5.118,984 1.675,985 6.052,986 5.98,987 4.654,988 5.162,989 1.956,990 6.897,991 4.564,992 6.333,993 1.569,994 7.637,995 4.672,996 4.29,997 5.066,998 0.325,999 7.867,1000 4.141,1001 7.658,1002 1.223,1003 9.321,1004 3.824,1005 6.286,1006 7.399,1007 1.989,1008 10.976,1009 6.136,1010 9.019,1011 1.182,1012 11.063,1013 3.263,1014 6.746,1015 8.165,1016 0.393,1017 12.772,1018 6.551,1019 10.414,1020 1.02,1021 12.842,1022 2.831,1023 8.211,1024 9.986,1025 2.094,1026 15.405,1027 8.012,1028 11.833,1029 1,1030 14.647,1031 2.396,1032 9.039,1033 11.147,1034 0.384,1035 17.538,1036 8.807,1037 13.271,1038 0.797,1039 16.469,1040 2.275,1041 10.3,1042 12.774,1043 2.241,1044 20.014,1045 10.058,1046 3.24,1047 0.544,1048 18.306,1049 2.003,1050 11.299,1051 14.122,1052 0.351,1053 22.294,1054 11.029,1055 3.077,1056 11.324,1057 20.153,1058 1.327,1059 12.482,1060 15.675,1061 2.418,1062 24.717,1063 12.196,1064 2.762,1065 10.291,1066 22.009,1067 4.639,1068 13.559,1069 17.112,1070 0.312,1071 27.063,1072 13.249,1073 2.643,1074 8.98,1075 23.872,1076 4.006,1077 14.714,1078 18.639,1079 2.619,1080 29.471,1081 14.385,1082 2.451,1083 8.139,1084 25.741,1085 3.58,1086 15.829,1087 20.12,1088 0.273,1089 31.848,1090 15.476,1091 2.076,1092 7.098,1093 27.615,1094 3.265,1095 16.978,1096 21.641,1097 2.839,1098 34.253,1099 16.602,1100 1.96,1101 6.377,1102 29.494,1103 2.932,1104 18.112,1105 23.144,1106 0.236,1107 36.646,1108 17.711,1109 15169,1110 26045,1111 24.274,1112 39.779,1113 55.323,1114 56.845,1115 56.652,1116 54.853,1117 54.762,1118 69.687,1119 6.439,1120 162.273,1121 51.896,1122 5.644,1123 5.522,1124 6.381,1125 5.291,1126 5.24,1127 7.639,1128 2.302,1129 18.82,1130 5.141,1131 15.772,1132 1.537,1133 1.579,1134 1.574,1135 1.524,1136 1.521,1137 1.936,1138 0.179,1139 4.508,1140 1.442,1141 4.147,1142 4.175,1143 4.227,1144 4.077,1145 7.437,1146 4.08,1147 4.014,1148 4.036,1149 3.962,1150 3.944,1151 5.115,1152 3.943,1153 3.815,1154 3.87,1155 3.807,1156 3.693,1157 4.905,1158 3.69,1159 3.582,1160 3.617,1161 3.605,1162 3.43,1163 4.749,1164 3.435,1165 3.435,1166 3.484,1167 3.481,1168 3.296,1169 4.688,1170 3.298,1171 3.337,1172 3.402,1173 3.388,1174 3.197,1175 4.484,1176 3.183,1177 3.223,1178 3.288,1179 3.206,1180 2.989,1181 4.397,1182 3.008,1183 3.043,1184 3.131,1185 3.099,1186 2.89,1187 4.352,1188 2.877,1189 0.13,1190 0.098,1191 0.19,1192 0.117,1193 0.09,1194 4.679,1195 0.129,1196 3.522,1197 0.032,1198 6.844,1199 0.315,1200 4.206,1201 0.087,1202 3.24,1203 4.639,1204 1.151,1205 11.324,1206 3.141,1207 1.987,1208 1.967,1209 2.098,1210 2.089,1211 1.382,1212 2.093,1213 1.95,1214 1.935,1215 2.037,1216 2.025,1217 1.303,1218 2.033,1219 1.816,1220 1.774,1221 1.92,1222 1.952,1223 1.135,1224 1.954,1225 1.562,1226 1.518,1227 1.755,1228 1.752,1229 1.039,1230 1.749,1231 1.439,1232 1.385,1233 1.663,1234 1.665,1235 0.859,1236 1.659,1237 1.345,1238 1.275,1239 1.567,1240 1.547,1241 0.702,1242 1.573,1243 1.137,1244 1.082,1245 1.43,1246 1.436,1247 0.669,1248 1.425,1249 1.081,1250 1,1251 1.36,1252 1.297,1253 0.457,1254 1.348,1255 4.29,1257 5.638,1258 2.398,1259 7.186,1260 4.727,1261 8.824,1262 6.862,1263 10.507,1266 12.501,1269 5.432,1271 6.272,1273 6.059,1275 0.062,1276 2.456,1280 37.47,1281 91.527,1282 225.855,1283 294.865,1284 316.475,1285 316.475,1286 316.475,1287 53.102,1288 8.497,1289 71.35,1290 71.35,1291 29,1292 12.842,1293 4.248,1294 3.459,1295 46.136,1296 160,1297 136,1298 0.141,1299 232.307,1300 403.8,1301 558.588,1302 69841,1303 3.5,1304 22.242,1305 0.695,1306 0.599,1307 23.242,1308 19.177,1309 15.508,1310 0.431,1311 0.324,1312 10.872,1313 14.544,1314 10.597,1315 8.632,1316 16.085,1317 11.677,1318 14.273,1319 0.274,1320 0.177,1321 14.977,1322 9.227,1323 12.684,1324 0.176,1325 0.102,1326 13.673,1327 7.362,1328 10.388,1329 0.111,1330 0.055,1331 10.886,1332 5.169,1333 8.545,1334 0.071,1335 0.031,1336 8.977,1337 3.745,1338 0.228,1339 102.24,1340 0.203,1341 30.36,1342 0.366,1343 176,1344 467.168,1345 217.625,1346 513.758,1347 686.59,1348 480,1349 212,1350 456.837,1351 252.317,1352 484.471,1353 719.12,1354 458,1355 6.783} {0 CHEMBL84712,1 1.461,2 13.909,3 3.889,4 15.126,5 130.811,6 7.171,7 0.553,8 4.239,9 4.374,10 3.797,11 3.778,12 5.254,13 3.753,14 4.827,15 5.019,16 4.18,17 4.238,18 5.756,19 4.189,20 5.109,21 5.336,22 4.143,23 4.404,24 5.944,25 4.289,26 5.236,27 5.504,28 4.057,29 4.411,30 5.987,31 4.253,32 5.228,33 5.529,34 4.01,35 4.321,36 5.948,37 4.169,38 5.06,39 5.32,40 4.035,41 4.278,42 5.863,43 4.158,44 5.078,45 5.336,46 4.006,47 4.276,48 5.87,49 4.139,50 5.079,51 5.369,52 3.851,53 4.159,54 5.873,55 4.015,56 0.054,57 1.054,58 13.516,59 5.57,60 11.176,61 7.721,62 0.246,63 1.766,64 26.383,65 9.501,66 24.202,67 13.55,68 0.304,69 2.14,70 36.498,71 13.859,72 34.654,73 19.596,74 0.275,75 2.211,76 43.08,77 16.199,78 41.575,79 23.632,80 0.47,81 2.113,82 44.819,83 15.239,84 48.753,85 22.652,86 0.385,87 1.935,88 36.127,89 12.543,90 38.729,91 18.54,92 0.299,93 1.944,94 36.361,95 13.372,96 33.483,97 19.547,98 0.442,99 1.908,100 38.573,101 12.637,102 52.993,103 18.46,104 5,105 55,106 0.233,107 0.577,108 0.8,109 0.89,110 0.89,111 0.89,112 3.532,113 0.93,114 -5.71,115 -5.58,116 -5.2,119 41.9,121 3,122 1,124 1,125 3,127 2,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 10,171 2,172 7,176 3,178 11,181 1,182 5,186 3,189 9,193 8,199 6,203 9,206 2,208 1,211 5,215 6,220 1,222 5,225 1,226 7,229 2,233 6,237 3,240 1,244 5,248 2,249 4,256 5,259 1989,260 22.773,261 22.773,262 22.773,263 22.773,264 22.773,265 20.309,266 27.297,267 13.255,268 23.259,269 18.808,270 18.808,271 18.808,272 18.808,273 18.808,274 15.163,275 32.834,276 6.369,277 19.627,278 4.494,279 2.334,280 0.934,281 0.367,282 0.367,283 0.367,284 4.252,289 1,290 1043,291 3,294 314.35,295 207.254,297 122.937,298 138.074,302 2.468,303 20.806,306 0.75,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.84,314 70.5,315 459,316 4.573,317 3.428,318 6.724,319 4.194,320 3.231,321 4.519,322 0.8,323 10.931,324 3.12,325 4.215,326 3.187,327 6.561,328 4.077,329 3.101,330 3.732,331 0.8,332 10.418,333 3.019,334 4.123,335 2.997,336 6.097,337 3.693,338 2.755,339 3.648,341 8.896,342 2.606,343 4.042,344 2.894,345 5.677,346 3.64,347 2.664,348 3.216,350 7.681,351 2.579,352 3.531,353 2.756,354 5.504,355 3.386,356 2.449,357 2.815,359 7.402,360 2.297,361 3.373,362 2.447,363 5.17,364 3.024,365 2.06,366 2.609,368 6.188,369 1.974,370 3.279,371 2.194,372 4.995,373 2.906,374 1.95,375 2.569,377 5.515,378 1.85,379 3.225,380 1.893,381 4.777,382 2.739,383 1.786,384 2.381,386 5.193,387 1.696,388 2.821,389 1.799,390 4.727,391 2.678,392 1.72,393 1.881,395 4.934,396 1.642,397 2.718,398 1.688,399 4.512,400 2.57,401 1.597,402 1.779,404 4.651,405 1.55,406 2.662,407 1.304,408 4.108,409 2.211,410 1.239,411 1.719,413 3.35,414 1.203,415 2.614,416 1.275,417 3.491,418 2.191,419 1.203,420 1.624,422 2.623,423 1.183,424 2.382,425 0.977,426 3.474,427 1.889,428 0.927,429 1.331,431 2.161,432 0.889,433 2.118,434 0.774,435 3.331,436 1.638,437 0.678,438 0.927,440 1.703,441 0.649,442 2.084,443 0.68,444 3.202,445 1.547,446 0.618,447 0.914,449 1.405,450 0.558,451 15.686,452 0.475,453 0.794,454 0.024,455 40.5,456 1.227,457 18,458 0.545,459 22.5,460 0.682,461 31.444,462 0.953,463 35.314,464 0.57,465 28.59,466 0.866,467 7.769,468 0.235,469 8.368,470 0.254,471 0.05,473 0.363,477 1,479 0.679,480 1.262,481 0.782,482 1.105,483 0.502,484 0.984,485 0.916,486 0.983,487 0.932,488 0.926,489 0.526,490 0.919,491 0.904,492 1.029,493 1.126,494 1.15,495 0.759,496 1.167,497 0.623,498 1.015,499 0.983,500 1.15,501 0.539,502 1.128,503 0.774,504 0.787,505 0.847,506 0.831,507 0.713,508 0.846,509 0.806,510 0.884,511 0.97,512 0.957,513 0.688,514 0.977,515 0.596,516 0.993,517 0.98,518 1.136,519 0.525,520 1.119,521 1.156,522 0.939,523 1.037,524 0.928,525 1.217,526 0.958,527 6.5,528 0.16,529 3.556,530 2.368,531 1.456,532 1.004,533 0.69,534 0.456,535 0.375,536 0.258,537 18708,538 44766,539 2.222,540 46.8,542 18,543 1,544 2,545 1,547 6,548 1,550 1.748,551 2.129,552 3.744,553 -0.382,559 90.558,560 1.461,561 3.621,562 5.02,563 5.587,564 5.587,565 5.587,566 3.279,567 4.681,568 5.012,569 3.963,570 2092.29,571 8.753,572 32246.8,574 1,577 369.16,578 1.234,579 4.997,580 0.171,581 0.006,582 0.065,583 0.047,584 0.033,585 0.023,586 0.015,587 0.011,588 0.011,589 0.008,590 0.39,591 0.33,592 0.75,593 0.398,594 177.733,595 0.047,596 -0.152,597 0.085,598 -0.055,599 0.05,600 0.004,601 -0.063,602 0.069,603 -0.011,604 0.065,605 0.06,606 0.042,607 -0.094,608 -0.04,609 -0.19,610 -0.133,611 -0.019,612 -0.168,613 0.016,614 -0.162,615 -0.036,616 -0.14,617 0.041,618 -0.105,619 0.031,620 0.06,621 0.148,622 0.139,623 0.012,624 0.156,625 -0.007,626 0.034,627 -0.008,628 0.026,629 -0.019,630 0.013,631 0.072,632 -0.121,633 -0.034,634 -0.145,635 0.012,636 -0.115,637 -0.086,638 0.017,639 -0.02,640 0.034,641 -0.122,642 0.021,643 1.806,644 5.467,645 0.848,646 41.603,647 0.996,648 1.134,649 4.484,650 20.109,651 0.663,652 3.664,653 4.025,654 4.344,655 4.654,656 4.828,657 4.984,658 5.187,659 5.347,660 5.493,661 5.649,662 8.241,663 0.626,664 444.61,665 3.664,666 5.231,667 6.107,668 7.004,669 7.894,670 8.796,671 9.693,672 10.598,673 11.499,674 12.407,675 9.7,678 2,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 62,716 21,717 2,718 38,720 67,721 26,722 16,723 5,724 7,730 6,731 8,740 3,741 1,743 5,745 16,746 10,747 1,762 1,764 29,765 5,766 1,767 7,773 6,777 0.667,788 1,789 2,792 4,793 2,795 1,796 1,815 2,819 4,823 1,825 1,827 33,833 6,837 3,838 2,844 1,846 1,854 15.5,855 11.226,856 7,857 3.824,858 3.637,859 1.411,860 1.029,861 5.434,862 12.479,863 3.902,864 4.511,865 5.101,866 5.688,867 6.112,868 6.466,869 6.907,870 7.344,871 7.601,872 7.892,873 1,874 50,875 12.234,877 5.348,878 7.545,879 24.185,881 21.212,883 2.045,884 67.5,887 1,888 329.591,889 137.901,890 58.259,893 14.96,895 137.901,896 329.591,897 73.219,898 8.396,899 13.921,900 75.381,901 74.105,902 45.755,903 28.875,904 294.278,906 329.591,907 196.161,908 14.96,911 262.153,912 82.398,915 56.091,916 106.744,917 33.326,919 344.551,920 58.259,921 137.901,924 329.591,925 36.887,926 109.162,927 16.786,928 48.286,929 329.591,930 73.219,931 137.901,933 0.59,934 0.348,935 0.192,936 0.096,937 30,938 12,939 0.09,940 6,941 2,942 1.143,943 4.624,944 317.217,945 0.143,946 28,947 162.465,951 20.886,952 8.586,953 4.068,954 2.453,955 54.535,956 19.118,957 7.865,958 3.449,961 3.404,962 1.945,963 16.786,964 540.712,965 48.5,975 61.727,976 70.312,977 0.245,978 0.608,979 0.843,980 0.938,981 0.938,982 0.938,983 5.166,984 1.786,985 6.098,986 5.515,987 4.71,988 5.198,989 1.072,990 6.93,991 4.629,992 6.359,993 1.72,994 7.665,995 5.193,996 4.29,997 4.934,998 0.57,999 7.823,1000 4.158,1001 7.661,1002 1.597,1003 9.329,1004 4.934,1005 6.326,1006 7.368,1007 0.653,1008 10.947,1009 6.174,1010 8.997,1011 1.239,1012 11.049,1013 4.651,1014 6.758,1015 7.994,1016 0.479,1017 12.694,1018 6.556,1019 10.367,1020 1.203,1021 12.808,1022 3.35,1023 8.235,1024 9.867,1025 0.432,1026 15.316,1027 8.015,1028 11.76,1029 0.927,1030 14.592,1031 2.623,1032 9.053,1033 10.926,1034 0.346,1035 17.419,1036 8.79,1037 13.172,1038 0.678,1039 16.397,1040 2.161,1041 10.317,1042 12.571,1043 0.291,1044 19.873,1045 10.033,1046 3.231,1047 0.618,1048 18.216,1049 1.703,1050 11.312,1051 13.849,1052 0.237,1053 22.128,1054 10.991,1055 3.101,1056 10.931,1057 20.048,1058 1.405,1059 12.496,1060 15.399,1061 0.195,1062 24.524,1063 12.15,1064 2.755,1065 10.418,1066 21.89,1067 4.519,1068 13.572,1069 16.787,1070 0.158,1071 26.843,1072 13.192,1073 2.664,1074 8.896,1075 23.74,1076 3.732,1077 14.728,1078 18.3,1079 0.129,1080 29.221,1081 14.32,1082 2.449,1083 7.681,1084 25.596,1085 3.648,1086 15.842,1087 19.744,1088 0.104,1089 31.569,1090 15.402,1091 2.06,1092 7.402,1093 27.459,1094 3.216,1095 16.99,1096 21.245,1097 0.084,1098 33.942,1099 16.521,1100 1.95,1101 6.188,1102 29.326,1103 2.815,1104 18.123,1105 22.718,1106 0.068,1107 36.304,1108 17.622,1109 16841,1110 26204,1111 26.353,1112 41.108,1113 58.595,1114 58.059,1115 58.633,1116 58.103,1117 58.062,1118 73.614,1119 3.2,1120 171.374,1121 55.651,1122 5.573,1123 5.428,1124 6.321,1125 5.255,1126 5.231,1127 7.519,1128 1.2,1129 18.1,1130 5.12,1131 11.011,1132 1.542,1133 1.528,1134 1.543,1135 1.529,1136 1.528,1137 1.937,1138 0.084,1139 4.51,1140 1.464,1141 4.164,1142 4.203,1143 4.12,1144 4.069,1145 8.201,1146 4.077,1147 3.997,1148 4.051,1149 3.913,1150 3.882,1151 5.135,1152 3.882,1153 3.906,1154 3.942,1155 3.84,1156 3.809,1157 4.928,1158 3.81,1159 3.82,1160 3.893,1161 3.778,1162 3.574,1163 4.646,1164 3.616,1165 3.532,1166 3.607,1167 3.408,1168 3.356,1169 4.46,1170 3.359,1171 3.337,1172 3.398,1173 3.231,1174 3.204,1175 4.251,1176 3.2,1177 3.219,1178 3.305,1179 3.065,1180 3.039,1181 4.064,1182 3.036,1183 3.144,1184 3.24,1185 2.93,1186 2.931,1187 3.801,1188 2.914,1189 0.12,1190 0.09,1191 0.177,1192 0.11,1193 0.085,1194 4.573,1195 0.119,1196 3.428,1197 0.021,1198 6.724,1199 0.288,1200 4.194,1201 0.082,1202 3.231,1203 4.519,1204 0.8,1205 10.931,1206 3.12,1207 1.96,1208 1.936,1209 2.043,1210 2.052,1211 1.353,1212 2.05,1213 1.914,1214 1.886,1215 2.036,1216 2.014,1217 1.254,1218 2.023,1219 1.722,1220 1.668,1221 1.911,1222 1.898,1223 1.239,1224 1.905,1225 1.617,1226 1.559,1227 1.829,1228 1.784,1229 1.127,1230 1.806,1231 1.552,1232 1.483,1233 1.764,1234 1.765,1235 0.985,1236 1.769,1237 1.417,1238 1.344,1239 1.625,1240 1.672,1241 0.783,1242 1.655,1243 1.354,1244 1.29,1245 1.509,1246 1.557,1247 0.673,1248 1.559,1249 1.147,1250 1.068,1251 1.468,1252 1.442,1253 0.581,1254 1.405,1255 4.344,1257 5.694,1258 3.714,1259 7.216,1260 6.075,1261 8.82,1262 8.153,1263 10.473,1265 2.294,1267 13.467,1271 6.455,1275 1.883,1276 5.166,1280 38.833,1281 90.558,1282 224.476,1283 311.244,1284 346.405,1285 346.405,1286 346.405,1287 45.368,1288 8.842,1289 52.98,1290 52.98,1291 32,1292 12.925,1293 4.459,1294 3.524,1295 43.517,1296 163,1297 158,1298 0.129,1299 231.428,1300 388.91,1301 556.445,1302 103378,1303 1.6,1304 22.363,1305 0.678,1306 0.572,1307 21.493,1308 18.862,1309 16.136,1310 0.425,1311 0.31,1312 11.614,1313 15.51,1314 11.359,1315 9.333,1316 15.742,1317 11.776,1318 14.946,1319 0.272,1320 0.175,1321 14.312,1322 9.639,1323 13.174,1324 0.173,1325 0.101,1326 12.854,1327 7.685,1328 11.403,1329 0.11,1330 0.057,1331 11.057,1332 5.894,1333 8.676,1334 0.07,1335 0.033,1336 8.506,1337 4.145,1338 0.207,1339 100.946,1340 0.195,1341 31.204,1342 0.338,1343 186,1344 486.67,1345 201.349,1346 454.325,1347 631.12,1348 428,1349 224,1350 477.162,1351 240.732,1352 481.097,1353 701.33,1354 452,1355 8.821} {0 CHEMBL84931,1 1.483,2 7.304,3 3.849,4 14.813,5 90.87,6 7.1,7 0.462,8 3.89,9 4.01,10 3.436,11 3.44,12 4.909,13 3.409,14 4.473,15 4.655,16 3.827,17 3.86,18 5.435,19 3.822,20 4.769,21 4.96,22 3.944,23 4.081,24 5.716,25 4.007,26 4.912,27 5.158,28 3.958,29 4.113,30 5.767,31 4.016,32 4.886,33 5.111,34 3.88,35 4.086,36 5.805,37 3.981,38 4.804,39 5.066,40 3.646,41 3.927,42 5.708,43 3.796,44 4.577,45 4.846,46 3.379,47 3.695,48 5.51,49 3.546,50 4.401,51 4.678,52 3.122,53 3.465,54 5.416,55 3.307,56 0.061,57 0.696,58 9.671,59 4.332,60 7.007,61 5.717,62 0.14,63 1.168,64 18.898,65 7.098,66 17.969,67 9.588,68 0.288,69 1.514,70 26.164,71 10.015,72 31.622,73 13.239,74 0.339,75 1.619,76 31.407,77 11.509,78 34.83,79 16.054,80 0.463,81 1.535,82 30.729,83 11.359,84 46.734,85 15.288,86 0.299,87 1.536,88 28.953,89 10.499,90 40.734,91 14.238,92 0.202,93 1.232,94 22.995,95 8.586,96 35.482,97 11.753,98 0.289,99 1.079,100 19.753,101 6.94,102 38.385,103 9.429,104 12,105 38,106 0.259,107 0.559,108 0.755,109 0.825,110 0.852,111 0.86,112 3.191,113 0.933,114 -5.2,115 -5.09,116 -4.76,119 43.2,121 2,124 2,125 1,127 2,140 7,141 3,142 2,164 1,169 10,172 5,178 14,181 1,182 8,189 13,192 1,193 7,199 13,203 5,211 9,215 5,222 6,226 4,233 1,237 2,259 608,260 15.533,261 15.533,262 15.533,263 15.533,264 15.533,265 14.054,266 21.304,267 9.091,268 15.831,269 12.897,270 12.897,271 12.897,272 12.897,273 12.897,274 10.695,275 30.018,276 4.386,277 13.406,278 3.976,279 2.258,280 1.134,281 0.733,282 0.58,283 0.534,284 3.889,287 1,288 1,289 1,290 367,291 2.828,294 28.403,295 74.953,296 37.573,299 56.599,300 128.284,302 1.1,303 18.567,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49.5,315 168,316 4.507,317 4.44,318 6.909,319 4.263,320 3.295,321 4.054,322 2.43,323 11.659,324 3.195,325 4.135,326 3.215,327 6.265,328 3.74,329 2.755,330 3.758,331 0.8,332 9.345,333 2.712,334 3.777,335 3.009,336 5.831,337 3.606,338 2.643,339 2.92,340 0.68,341 8.181,342 2.538,343 3.463,344 2.72,345 5.277,346 3.197,347 2.261,348 2.743,349 0.442,350 6.611,351 2.113,352 3.312,353 2.63,354 4.97,355 3.058,356 2.119,357 2.358,359 5.849,360 1.967,361 2.944,362 2.197,363 4.59,364 2.68,365 1.754,366 2.122,368 4.474,369 1.619,370 2.831,371 2.067,372 4.418,373 2.532,374 1.542,375 1.927,377 4.309,378 1.524,379 2.799,380 1.546,381 4.099,382 2.38,383 1.384,384 1.86,386 3.26,387 1.376,388 2.372,389 1.372,390 3.722,391 2.019,392 1.034,393 1.341,395 2.75,396 1.017,397 1.938,398 1.06,399 3.575,400 1.768,401 0.784,402 0.881,404 2.199,405 0.769,406 1.53,407 0.724,408 3.021,409 1.262,410 0.293,411 0.348,413 0.74,414 0.28,415 1.032,416 0.141,417 2.704,418 0.734,419 -0.234,420 -0.269,422 -0.591,423 -0.223,424 0.737,425 0.039,426 2.538,427 0.615,428 -0.318,429 -0.337,431 -0.877,432 -0.295,433 0.679,434 -0.162,435 2.365,436 0.304,437 -0.628,438 -0.745,440 -1.711,441 -0.568,442 0.559,443 -0.419,444 2.186,445 0.139,446 -0.851,447 -1,449 -2,450 -0.841,451 10.919,452 0.475,453 0.644,454 0.028,455 27.5,456 1.196,457 12.5,458 0.543,459 15,460 0.652,461 20.154,462 0.876,463 25.081,464 0.57,465 19.327,466 0.84,467 5.471,468 0.238,469 5.644,470 0.245,471 0.118,473 0.394,477 1,479 0.568,480 1.129,481 0.775,482 1.093,483 0.537,484 0.996,485 0.968,486 0.949,487 0.866,488 0.902,489 0.569,490 0.858,491 1.126,492 1.055,493 1.094,494 1.081,495 0.894,496 1.084,497 0.766,498 0.786,499 0.842,500 0.92,501 0.56,502 0.895,503 1.033,504 0.885,505 1.031,506 0.983,507 0.653,508 1.011,509 1.124,510 1.093,511 1.061,512 1.019,513 1.226,514 1.026,515 0.975,516 1.183,517 1.026,518 1.091,519 1.218,520 1.075,521 1.2,522 1.159,523 1.174,524 1.076,525 1.661,526 1.108,527 5,529 2.222,530 1.785,531 1.761,532 0.841,533 0.567,534 0.355,535 0.229,536 0.063,537 4917,538 11548,539 2.141,540 47.7,541 2,542 17,548 2,550 1.667,551 2,552 2.884,553 -0.815,555 1,557 1,559 65.266,560 1.483,561 3.201,562 4.325,563 4.726,564 4.88,565 4.925,566 2.248,567 4.176,568 4.492,569 3.024,570 765.038,571 7.79,572 8280.68,574 1,576 1,577 240.215,578 1.422,579 4.454,580 0.192,582 0.058,583 0.044,584 0.043,585 0.023,586 0.02,587 0.017,588 0.015,589 0.01,590 0.423,591 0.67,592 1,593 0.973,594 103.612,595 0.118,596 -0.092,597 0.084,598 -0.034,599 -0.011,600 0.004,601 -0.08,602 0.04,603 0.062,604 0.08,605 0.035,606 0.1,607 -0.09,608 -0.061,609 -0.145,610 -0.087,611 -0.075,612 -0.12,613 0.068,614 0.08,615 0.115,616 0.042,617 0.053,618 0.081,619 0.006,620 -0.032,621 -0.06,622 -0.007,623 0.036,624 -0.041,625 -0.087,626 -0.072,627 -0.066,628 -0.048,629 -0.066,630 -0.052,631 -0.038,632 -0.153,633 -0.042,634 -0.108,635 -0.025,636 -0.085,637 -0.02,638 0.008,639 -0.148,640 -0.107,641 -0.064,642 -0.142,643 1.881,644 5.83,645 0.783,646 16.491,647 0.997,648 1.129,649 3.967,650 15.735,651 0.659,652 3.296,653 3.664,654 3.97,655 4.344,656 4.654,657 4.875,658 5.088,659 5.236,660 5.361,661 5.394,662 4.709,663 0.623,664 312.42,665 3.296,666 4.86,667 5.733,668 6.648,669 7.549,670 8.472,671 9.387,672 10.313,673 11.234,674 12.162,675 4.5,678 1,681 1,688 7,693 5,695 12,706 1,713 1,714 44,716 12,717 2,718 26,720 47,721 19,722 12,723 5,724 7,730 4,731 11,740 4,743 4,745 12,746 7,761 1,762 1,764 21,765 4,767 4,773 2,777 0.25,778 1,792 1,793 2,794 1,797 1,798 2,815 1,819 1,823 2,825 1,827 23,833 3,835 1,837 2,838 2,846 1,847 2.3,851 1,854 11.5,855 8.46,856 4.889,857 2.644,858 2.509,859 1.325,860 0.999,861 3.685,862 10.224,863 3.497,864 4.078,865 4.615,866 5.192,867 5.754,868 6.014,869 6.423,870 6.838,871 7.21,872 7.51,873 0.8,874 41,875 8.563,877 3.734,878 7.63,879 16.721,881 14.396,883 2.13,884 49,887 1,888 247.193,889 111.736,890 8.863,892 11.219,893 14.96,895 111.736,896 258.412,897 23.823,898 16.793,899 7.175,900 66.334,901 11.219,902 30.297,903 14.96,904 247.193,906 247.193,907 120.599,908 26.179,911 238.611,912 23.542,913 11.219,915 10.299,916 110.3,919 262.153,920 20.082,921 111.736,924 247.193,925 28.609,926 91.989,928 26.179,929 247.193,930 35.042,931 111.736,933 0.588,934 0.332,935 0.198,936 0.12,937 21,938 9,939 0.043,940 2,941 3,942 1.333,943 3.387,944 203.176,945 0.333,946 18,947 102.042,951 14.827,952 5.716,953 2.674,955 35.042,956 13.521,961 4.375,964 393.971,965 32,975 43.88,976 49.698,977 0.272,978 0.586,979 0.792,980 0.866,981 0.894,982 0.902,983 4.771,984 1.384,985 5.74,986 4.309,987 4.344,988 4.762,989 2.665,990 6.6,991 4.272,992 5.962,993 1.034,994 7.321,995 3.26,996 4.007,997 4.527,998 1.494,999 7.564,1000 3.872,1001 7.265,1002 0.784,1003 9,1004 2.75,1005 5.974,1006 6.866,1007 4.123,1008 10.721,1009 5.84,1010 8.598,1011 0.293,1012 10.74,1013 2.199,1014 6.431,1015 7.413,1016 3.425,1017 12.537,1018 6.245,1019 9.963,1020 -0.234,1021 12.519,1022 0.74,1023 7.898,1024 9.271,1025 5.801,1026 15.218,1027 7.709,1028 11.351,1029 -0.318,1030 14.326,1031 -0.591,1032 8.733,1033 10.2,1034 5.424,1035 17.394,1036 8.501,1037 12.757,1038 -0.628,1039 16.155,1040 -0.877,1041 10.005,1042 11.837,1043 7.512,1044 19.915,1045 9.761,1046 3.295,1047 -0.851,1048 18.001,1049 -1.711,1050 11.022,1051 12.969,1052 7.37,1053 22.245,1054 10.741,1055 2.755,1056 11.659,1057 19.86,1058 -2,1059 12.222,1060 14.492,1061 9.233,1062 24.713,1063 11.921,1064 2.643,1065 9.345,1066 21.73,1067 4.054,1068 13.325,1069 15.734,1070 9.273,1071 27.11,1072 12.99,1073 2.261,1074 8.181,1075 23.609,1076 3.758,1077 14.503,1078 17.195,1079 10.961,1080 29.563,1081 14.143,1082 2.119,1083 6.611,1084 25.495,1085 2.92,1086 15.647,1087 18.499,1088 11.144,1089 31.99,1090 15.254,1091 1.754,1092 5.849,1093 27.387,1094 2.743,1095 16.822,1096 19.926,1097 12.694,1098 34.44,1099 16.401,1100 1.542,1101 4.474,1102 29.284,1103 2.358,1104 17.986,1105 21.265,1106 12.994,1107 36.88,1108 17.533,1109 4741,1110 7373,1111 17.512,1112 29.017,1113 40.139,1114 41.829,1115 41.049,1116 39.857,1117 39.723,1118 48.624,1119 8.704,1120 118.754,1121 38.222,1122 5.446,1123 6.44,1124 6.591,1125 5.309,1126 5.295,1127 7.054,1128 4.661,1129 19.147,1130 5.195,1131 10.416,1132 1.544,1133 1.609,1134 1.579,1135 1.533,1136 1.528,1137 1.87,1138 0.335,1139 4.567,1140 1.47,1141 4.076,1142 4.105,1143 4.026,1144 3.997,1145 8.201,1146 3.999,1147 3.806,1148 3.833,1149 3.753,1150 3.746,1151 4.842,1152 3.743,1153 3.737,1154 3.796,1155 3.627,1156 3.561,1157 4.623,1158 3.568,1159 3.478,1160 3.559,1161 3.33,1162 3.248,1163 4.479,1164 3.254,1165 3.188,1166 3.245,1167 3.081,1168 3.066,1169 4.252,1170 3.058,1171 2.989,1172 3.071,1173 2.815,1174 2.836,1175 3.757,1176 2.82,1177 2.874,1178 3.009,1179 2.737,1180 2.727,1181 3.682,1182 2.719,1183 2.856,1184 2.917,1185 2.651,1186 2.618,1187 3.619,1188 2.602,1189 0.173,1190 0.171,1191 0.266,1192 0.164,1193 0.127,1194 4.507,1195 0.156,1196 4.44,1197 0.093,1198 6.909,1199 0.448,1200 4.263,1201 0.123,1202 3.295,1203 4.054,1204 2.43,1205 11.659,1206 3.195,1207 1.959,1208 1.936,1209 2.068,1210 2.029,1211 1.327,1212 2.043,1213 1.874,1214 1.848,1215 1.97,1216 1.975,1217 1.211,1218 1.974,1219 1.656,1220 1.59,1221 1.889,1222 1.889,1223 1.083,1224 1.894,1225 1.394,1226 1.316,1227 1.678,1228 1.6,1229 0.845,1230 1.631,1231 1.187,1232 1.134,1233 1.433,1234 1.441,1235 0.605,1236 1.418,1237 1.155,1238 1.095,1239 1.417,1240 1.354,1241 0.598,1242 1.38,1243 0.934,1244 0.804,1245 1.396,1246 1.239,1247 0.469,1248 1.308,1249 0.843,1250 0.783,1251 1.125,1252 1.03,1253 0.257,1254 1.068,1255 3.97,1257 5.323,1258 2.398,1259 6.86,1260 4.844,1261 8.487,1262 7.066,1263 10.168,1265 4.1,1267 13.83,1271 2.603,1273 6.22,1275 0.275,1276 4.077,1280 27.409,1281 65.266,1282 140.854,1283 190.299,1284 207.95,1285 214.705,1286 216.705,1287 34.557,1288 7.715,1289 15.71,1290 15.71,1291 24,1292 12.667,1293 3.7,1294 2.807,1295 31.477,1296 66,1297 67,1298 0.251,1299 164.67,1300 287.04,1301 393.555,1302 22296,1303 2.3,1304 15.974,1305 0.695,1306 0.587,1307 15.104,1308 13.498,1309 11.114,1310 0.427,1311 0.311,1312 7.97,1313 10.675,1314 7.723,1315 6.384,1316 10.72,1317 8.086,1318 10.581,1319 0.278,1320 0.177,1321 9.947,1322 6.716,1323 8.549,1324 0.164,1325 0.09,1326 8.207,1327 4.68,1328 7.845,1329 0.103,1330 0.049,1331 7.633,1332 3.732,1333 6.782,1334 0.065,1335 0.026,1336 6.445,1337 2.727,1338 0.369,1339 69.687,1340 0.239,1341 21.67,1342 0.768,1343 128,1344 367.137,1345 140.201,1346 329.555,1347 452.87,1348 310,1349 154,1350 339.912,1351 167.5,1352 337.646,1353 496.91,1354 317,1355 6.52} {0 CHEMBL85668,1 1.329,2 13.065,3 3.886,4 15.099,5 125.624,6 6.86,7 0.583,8 4.198,9 4.333,10 3.729,11 3.762,12 5.153,13 3.724,14 4.785,15 4.977,16 4.108,17 4.221,18 5.637,19 4.159,20 5.06,21 5.287,22 4.069,23 4.383,24 5.81,25 4.253,26 5.197,27 5.471,28 3.986,29 4.388,30 5.875,31 4.22,32 5.153,33 5.443,34 3.964,35 4.318,36 5.824,37 4.159,38 5.049,39 5.313,40 3.973,41 4.287,42 5.77,43 4.149,44 5.033,45 5.295,46 3.895,47 4.243,48 5.772,49 4.09,50 4.982,51 5.272,52 3.689,53 4.109,54 5.67,55 3.934,56 0.064,57 0.929,58 13.686,59 5.39,60 11.409,61 7.756,62 0.238,63 1.602,64 26.042,65 9.132,66 19.887,67 13.468,68 0.259,69 1.953,70 34.847,71 13.399,72 23.366,73 19.524,74 0.269,75 2.091,76 41.192,77 15.711,78 30.412,79 23.187,80 0.336,81 1.99,82 39.984,83 14.825,84 30.005,85 21.99,86 0.247,87 1.852,88 35.353,89 13.174,90 26.884,91 19.497,92 0.289,93 1.826,94 34.798,95 12.948,96 29.193,97 19.117,98 0.29,99 1.676,100 33.774,101 12.038,102 29.138,103 18.031,104 2,105 52,106 0.213,107 0.57,108 0.804,109 0.879,110 0.886,111 0.886,112 3.472,113 0.942,114 -4.49,115 -4.42,116 -4.16,119 43.3,121 2,122 1,124 1,125 3,127 2,140 8,141 3,142 1,143 1,149 2,150 1,158 1,169 11,171 1,172 7,176 3,178 11,181 1,182 6,186 3,189 9,193 6,199 5,203 7,206 2,208 1,211 6,215 5,220 1,222 6,225 1,226 6,229 1,233 6,237 3,240 1,244 5,248 1,249 2,256 5,259 1621,260 21.618,261 21.618,262 21.618,263 21.618,264 21.618,265 19.179,266 25.992,267 12.686,268 22.043,269 17.842,270 17.842,271 17.842,272 17.842,273 17.842,274 14.279,275 34.582,276 6.114,277 18.536,278 4.578,279 2.35,280 0.892,281 0.425,282 0.379,283 0.379,284 4.196,288 1,289 1,290 929,291 2.739,294 285.68,295 187.016,297 111.418,298 125.097,302 2.2,303 11.227,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 64.5,315 405,316 4.573,317 3.433,318 6.725,319 4.195,320 3.233,321 4.519,322 0.916,323 10.934,324 3.121,325 4.219,326 3.19,327 6.561,328 4.078,329 3.102,330 3.732,331 0.8,332 10.418,333 3.021,334 4.124,335 2.95,336 6.097,337 3.696,338 2.756,339 3.46,340 0.172,341 8.896,342 2.592,343 3.915,344 2.862,345 5.713,346 3.588,347 2.621,348 3.207,350 7.884,351 2.543,352 3.5,353 2.489,354 5.427,355 3.29,356 2.321,357 2.813,359 7.007,360 2.24,361 3.328,362 2.174,363 5.118,364 2.96,365 1.994,366 2.602,368 5.971,369 1.919,370 3.232,371 1.871,372 4.859,373 2.738,374 1.786,375 2.405,377 5.22,378 1.697,379 2.935,380 1.799,381 4.773,382 2.683,383 1.719,384 2.065,386 4.934,387 1.653,388 2.745,389 1.688,390 4.512,391 2.573,392 1.599,393 1.84,395 4.651,396 1.554,397 2.659,398 1.481,399 4.108,400 2.364,401 1.377,402 1.67,404 3.35,405 1.357,406 2.605,407 1.275,408 3.587,409 2.204,410 1.235,411 1.617,413 3.009,414 1.194,415 2.5,416 1,417 3.472,418 2,419 1,420 1.5,422 2.159,423 1,424 2.381,425 0.975,426 3.331,427 1.869,428 0.926,429 1.329,431 2.136,432 0.871,433 2.118,434 0.759,435 3.247,436 1.61,437 0.662,438 0.927,440 1.67,441 0.626,442 2.081,443 0.618,444 3.201,445 1.553,446 0.618,447 0.908,449 1.372,450 0.577,451 15,452 0.484,453 0.688,454 0.022,455 39.25,456 1.266,457 18,458 0.581,459 21.25,460 0.685,461 28.248,462 0.911,463 32.4,464 0.54,465 26.61,466 0.858,467 7.508,468 0.242,469 7.734,470 0.249,471 0.033,473 0.347,479 1.012,480 1.415,481 0.845,482 1.088,483 0.806,484 0.975,485 1.481,486 1.047,487 1.012,488 0.903,489 0.915,490 0.913,491 1.058,492 1.123,493 1.162,494 1.171,495 0.812,496 1.175,497 0.85,498 1.039,499 1.003,500 1.062,501 0.783,502 1.049,503 0.818,504 0.858,505 0.876,506 0.882,507 0.802,508 0.884,509 0.976,510 1.001,511 0.958,512 0.975,513 0.898,514 0.967,515 0.934,516 1.074,517 1.065,518 1.104,519 1.026,520 1.098,521 1.072,522 0.961,523 1.047,524 0.997,525 1.156,526 1.016,527 5.5,528 0.127,529 3.111,530 2.306,531 1.104,532 1.056,533 0.667,534 0.425,535 0.267,536 0.212,537 15522,538 31348,539 2.258,540 48.3,542 19,543 2,544 2,545 1,547 4,548 1,550 1.733,551 2.188,552 3.658,553 -0.425,555 1,559 79.711,560 1.329,561 3.557,562 5.015,563 5.482,564 5.528,565 5.528,566 3.155,567 4.478,568 4.922,569 3.84,570 1785.82,571 8.58,572 25704.2,574 1,577 354.413,578 1.123,579 4.916,580 0.153,581 0.005,582 0.06,583 0.049,584 0.026,585 0.025,586 0.016,587 0.011,588 0.009,589 0.008,590 0.362,591 0.33,592 0.88,593 0.32,594 162.502,595 0.057,596 -0.234,597 0.097,598 -0.059,599 0.143,600 0.008,601 -0.139,602 0.105,603 -0.03,604 0.068,605 0.002,606 0.036,607 -0.101,608 -0.09,609 -0.198,610 -0.17,611 -0.029,612 -0.189,613 -0.012,614 -0.098,615 -0.027,616 -0.066,617 0.043,618 -0.051,619 0.104,620 0.076,621 0.115,622 0.099,623 0.07,624 0.106,625 -0.035,626 -0.026,627 0.023,628 0.014,630 0.022,631 0.046,632 -0.093,633 -0.083,634 -0.123,635 -0.057,636 -0.116,637 -0.037,638 -0.011,639 -0.049,640 -0.034,641 -0.148,642 -0.041,643 0.718,644 1.191,645 0.903,646 35.646,647 0.985,648 1.125,649 3.263,650 10.649,651 0.669,652 3.611,653 3.97,654 4.304,655 4.625,656 4.804,657 4.97,658 5.198,659 5.357,660 5.489,661 5.635,662 7.576,663 0.624,664 411.6,665 3.611,666 5.176,667 6.057,668 6.956,669 7.85,670 8.755,671 9.657,672 10.566,673 11.472,674 12.384,675 8.3,678 2,683 2,685 1,687 2,688 12,689 1,690 1,693 3,694 1,695 21,714 60,716 21,717 2,718 36,720 65,721 26,722 17,723 4,724 8,730 6,731 8,740 3,741 1,743 4,745 17,746 9,747 1,761 1,764 29,765 3,766 1,767 5,770 1,773 5,777 0.667,788 1,789 2,792 4,793 2,795 1,796 1,815 2,819 4,823 1,827 31,833 5,837 3,838 2,854 14.167,855 10.8,856 6.583,857 3.665,858 3.625,859 1.417,860 1.04,861 4.849,862 12.326,863 3.861,864 4.466,865 5.067,866 5.661,867 6.09,868 6.444,869 6.919,870 7.361,871 7.61,872 7.906,873 0.889,874 47,875 11.481,877 4.985,878 7.349,879 23.077,881 20.343,883 1.849,884 57.333,887 1,888 329.591,889 145.198,890 41.719,895 145.198,896 329.591,897 41.719,898 8.396,899 11.386,900 93.905,901 48.946,902 45.682,903 25.686,904 282.506,906 329.591,907 186.917,911 270.735,912 58.856,915 53.985,916 116.146,917 16.786,919 329.591,920 41.719,921 145.198,924 329.591,925 25.231,926 128.115,927 16.786,928 16.786,929 329.591,930 41.719,931 145.198,933 0.588,934 0.35,935 0.196,936 0.098,937 29,938 11,939 0.077,940 5,941 2,942 1.143,943 4.453,944 296.024,945 0.143,946 28,947 149.58,951 19.151,952 7.849,953 3.58,954 2.552,955 23.034,956 25.417,957 4.191,958 3.483,961 4.017,962 2.073,963 16.786,964 516.508,965 46.5,975 59.112,976 67.474,977 0.225,978 0.602,979 0.849,980 0.928,981 0.936,982 0.936,983 5.119,984 1.719,985 6.043,986 5.22,987 4.654,988 5.153,989 1.242,990 6.88,991 4.581,992 6.308,993 1.599,994 7.61,995 4.934,996 4.205,997 4.832,998 0.57,999 7.779,1000 4.09,1001 7.606,1002 1.377,1003 9.277,1004 4.651,1005 6.271,1006 7.317,1007 0.883,1008 10.917,1009 6.128,1010 8.94,1011 1.235,1012 11.002,1013 3.35,1014 6.698,1015 7.917,1016 0.581,1017 12.676,1018 6.511,1019 10.309,1020 1,1021 12.766,1022 3.009,1023 8.19,1024 9.817,1025 0.68,1026 15.303,1027 7.979,1028 11.703,1029 0.926,1030 14.557,1031 2.159,1032 9.011,1033 10.866,1034 0.515,1035 17.414,1036 8.759,1037 13.116,1038 0.662,1039 16.367,1040 2.136,1041 10.283,1042 12.525,1043 0.541,1044 19.87,1045 10.007,1046 3.233,1047 0.618,1048 18.192,1049 1.67,1050 11.283,1051 13.801,1052 0.441,1053 22.127,1054 10.969,1055 3.102,1056 10.934,1057 20.028,1058 1.372,1059 12.472,1060 15.36,1061 0.438,1062 24.524,1063 12.131,1064 2.756,1065 10.418,1066 21.874,1067 4.519,1068 13.553,1069 16.75,1070 0.373,1071 26.845,1072 13.176,1073 2.621,1074 8.896,1075 23.727,1076 3.732,1077 14.712,1078 18.269,1079 0.358,1080 29.223,1081 14.307,1082 2.321,1083 7.884,1084 25.587,1085 3.46,1086 15.83,1087 19.716,1088 0.314,1089 31.572,1090 15.391,1091 1.994,1092 7.007,1093 27.451,1094 3.207,1095 16.981,1096 21.222,1097 0.296,1098 33.945,1099 16.512,1100 1.786,1101 5.971,1102 29.32,1103 2.813,1104 18.116,1105 22.697,1106 0.264,1107 36.307,1108 17.615,1109 13860,1110 19826,1111 25.255,1112 40.165,1113 55.584,1114 54.864,1115 55.043,1116 54.842,1117 54.872,1118 70.219,1119 3.778,1120 161.809,1121 52.856,1122 5.573,1123 5.433,1124 6.527,1125 5.256,1126 5.233,1127 7.519,1128 1.605,1129 18.103,1130 5.121,1131 7.017,1132 1.544,1133 1.524,1134 1.529,1135 1.523,1136 1.524,1137 1.951,1138 0.105,1139 4.495,1140 1.468,1141 4.166,1142 4.204,1143 4.122,1144 4.072,1145 5.033,1146 4.08,1147 4.001,1148 4.055,1149 3.916,1150 3.886,1151 4.876,1152 3.886,1153 3.883,1154 3.931,1155 3.816,1156 3.79,1157 4.756,1158 3.787,1159 3.842,1160 3.895,1161 3.775,1162 3.653,1163 4.453,1164 3.682,1165 3.487,1166 3.559,1167 3.365,1168 3.34,1169 4.232,1170 3.336,1171 3.316,1172 3.381,1173 3.209,1174 3.156,1175 4.036,1176 3.16,1177 3.151,1178 3.253,1179 2.942,1180 2.942,1181 3.795,1182 2.929,1183 3.086,1184 3.162,1185 2.92,1186 2.93,1187 3.698,1188 2.916,1189 0.127,1190 0.095,1191 0.187,1192 0.117,1193 0.09,1194 4.573,1195 0.126,1196 3.433,1197 0.025,1198 6.725,1199 0.304,1200 4.195,1201 0.087,1202 3.233,1203 4.519,1204 0.916,1205 10.934,1206 3.121,1207 1.961,1208 1.937,1209 2.047,1210 2.053,1211 1.352,1212 2.05,1213 1.913,1214 1.882,1215 2.038,1216 2.007,1217 1.242,1218 2.021,1219 1.719,1220 1.665,1221 1.909,1222 1.891,1223 1.196,1224 1.899,1225 1.617,1226 1.559,1227 1.828,1228 1.784,1229 1.119,1230 1.806,1231 1.497,1232 1.427,1233 1.706,1234 1.721,1235 0.94,1236 1.719,1237 1.426,1238 1.364,1239 1.604,1240 1.656,1241 0.727,1242 1.644,1243 1.343,1244 1.27,1245 1.561,1246 1.55,1247 0.634,1248 1.561,1249 1.272,1250 1.201,1251 1.442,1252 1.518,1253 0.548,1254 1.502,1255 4.29,1257 5.638,1258 3.714,1259 7.163,1260 6.075,1261 8.77,1262 8.153,1263 10.427,1265 2.34,1271 5.881,1275 2.079,1276 5.3,1280 37.429,1281 79.711,1282 213.394,1283 300.904,1284 328.904,1285 331.659,1286 331.659,1287 34.948,1288 8.702,1289 40.09,1290 40.09,1291 32,1292 12.899,1293 4.459,1294 3.524,1295 39.758,1296 141,1297 145,1298 0.137,1299 223.436,1300 371.84,1301 536.944,1302 84749,1304 20.786,1305 0.671,1306 0.58,1307 20.786,1308 17.985,1309 15.242,1310 0.423,1311 0.314,1312 11.186,1313 14.806,1314 10.905,1315 8.991,1316 15.242,1317 11.31,1318 13.971,1319 0.269,1320 0.178,1321 13.971,1322 9.28,1323 12.537,1324 0.172,1325 0.102,1326 12.537,1327 7.414,1328 10.961,1329 0.109,1330 0.057,1331 10.961,1332 5.781,1333 8.385,1334 0.069,1335 0.033,1336 8.385,1337 4.018,1338 0.218,1339 94.217,1340 0.199,1341 29.452,1342 0.365,1343 176,1344 368.913,1345 186.075,1346 370.417,1347 531.07,1348 352,1349 213,1350 410.183,1351 225.379,1352 423.063,1353 620.22,1354 398,1355 8.921} {0 CHEMBL85735,1 1.332,2 7.304,3 4.13,4 17.053,5 95.695,6 6.563,7 0.462,8 3.937,9 4.064,10 3.425,11 3.497,12 4.879,13 3.446,14 4.524,15 4.719,16 3.807,17 3.92,18 5.362,19 3.858,20 4.802,21 4.993,22 3.93,23 4.149,24 5.641,25 4.051,26 4.98,27 5.236,28 3.943,29 4.184,30 5.732,31 4.064,32 4.94,33 5.174,34 3.851,35 4.151,36 5.73,37 4.028,38 4.854,39 5.112,40 3.603,41 4.045,42 5.581,43 3.879,44 4.735,45 5.019,46 3.35,47 3.89,48 5.41,49 3.684,50 4.552,51 4.845,52 3.067,53 3.677,54 5.25,55 3.455,56 0.101,57 0.665,58 11.191,59 4.648,60 8.942,61 6.522,62 0.17,63 1.133,64 20.882,65 7.631,66 14.276,67 10.947,68 0.272,69 1.448,70 27.665,71 10.598,72 23.775,73 14.909,74 0.275,75 1.641,76 33.415,77 12.503,78 27.79,79 17.947,80 0.329,81 1.546,82 32.379,83 11.875,84 31.89,85 16.658,86 0.254,87 1.427,88 29.39,89 11.203,90 26.114,91 16.078,92 0.149,93 1.26,94 25.694,95 10.376,96 20.394,97 15.165,98 0.133,99 1.046,100 21.426,101 8.449,102 19.703,103 12.488,104 12,105 38,106 0.229,107 0.521,108 0.744,109 0.809,110 0.846,111 0.853,112 3.191,113 0.969,114 -5.04,115 -4.94,116 -4.63,119 42.6,120 1,121 2,124 2,125 1,127 2,140 7,141 4,142 1,164 1,169 13,172 5,178 17,181 1,182 9,189 15,192 1,193 9,199 15,203 6,211 13,215 5,222 11,226 5,233 5,237 3,244 2,259 608,260 15.533,261 15.533,262 15.533,263 15.533,264 15.533,265 14.054,266 22.102,267 9.091,268 15.769,269 12.897,270 12.897,271 12.897,272 12.897,273 12.897,274 10.695,275 31.457,276 4.386,277 13.284,278 4.223,279 2.527,280 1.232,281 0.857,282 0.644,283 0.601,284 3.889,288 1,289 1,290 367,291 2.828,294 28.403,295 74.953,296 37.573,299 56.599,300 128.284,302 1.1,303 10.432,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 48,315 168,316 4.507,317 4.439,318 6.909,319 4.264,320 3.295,321 4.054,322 2.43,323 11.659,324 3.198,325 4.135,326 3.211,327 6.265,328 3.748,329 2.755,330 3.758,331 0.8,332 9.345,333 2.736,334 3.777,335 2.93,336 5.831,337 3.606,338 2.643,339 2.92,340 0.68,341 8.181,342 2.54,343 3.463,344 2.685,345 5.277,346 3.2,347 2.261,348 2.743,349 0.442,350 6.611,351 2.125,352 3.312,353 2.426,354 4.97,355 3.116,356 2.119,357 2.358,359 5.849,360 2.105,361 2.944,362 2.168,363 4.59,364 2.68,365 1.754,366 2.122,368 4.474,369 1.62,370 2.831,371 2.056,372 4.418,373 2.532,374 1.542,375 1.927,377 4.309,378 1.524,379 2.799,380 1.538,381 4.099,382 2.382,383 1.384,384 1.86,386 3.26,387 1.381,388 2.372,389 1.371,390 3.722,391 2.019,392 1.034,393 1.341,395 2.75,396 1.017,397 1.938,398 1.06,399 3.575,400 1.768,401 0.784,402 0.881,404 2.199,405 0.769,406 1.53,407 0.607,408 3.021,409 1.288,410 0.293,411 0.348,413 0.74,414 0.291,415 1.032,416 0.083,417 2.704,418 0.758,419 -0.234,420 -0.269,422 -0.591,423 -0.232,424 0.737,425 -0.013,426 2.538,427 0.616,428 -0.318,429 -0.337,431 -0.877,432 -0.295,433 0.679,434 -0.291,435 2.365,436 0.354,437 -0.628,438 -0.745,440 -1.711,441 -0.616,442 0.559,443 -0.425,444 2.186,445 0.139,446 -0.851,447 -1,449 -2,450 -0.841,451 11.133,452 0.484,453 0.644,454 0.028,455 27.25,456 1.185,457 12.5,458 0.543,459 14.75,460 0.641,461 21.138,462 0.919,463 24.867,464 0.529,465 18.343,466 0.798,467 5.307,468 0.231,469 5.807,470 0.252,471 0.135,473 0.386,479 0.696,480 1.289,481 0.883,482 1.113,483 0.942,484 1.031,485 1.403,486 0.977,487 0.92,488 0.865,489 0.996,490 0.841,491 1.43,492 1.184,493 1.154,494 1.135,495 1.359,496 1.127,497 1.095,498 0.949,499 0.884,500 0.938,501 0.865,502 0.896,503 1.856,504 0.961,505 1.128,506 0.956,507 1.467,508 0.985,509 1.266,510 0.998,511 1.139,512 1.026,513 1.168,514 1.067,515 0.491,516 1.101,517 1.004,518 1.107,519 0.689,520 1.102,521 0.498,522 1.073,523 1.065,524 1.114,525 0.812,526 1.129,527 5,529 2.222,530 1.785,531 1.761,532 0.841,533 0.567,534 0.355,535 0.229,536 0.063,537 4917,538 9340,539 2.141,540 51.1,541 5,542 17,548 2,550 1.667,551 2,552 2.884,553 -0.858,555 1,559 62.588,560 1.332,561 3.027,562 4.322,563 4.698,564 4.911,565 4.953,566 2.248,567 4.176,568 4.492,569 3.024,570 765.038,571 7.79,572 8280.68,574 1,576 1,577 261.066,578 1.422,579 4.454,580 0.192,582 0.058,583 0.044,584 0.043,585 0.023,586 0.02,587 0.017,588 0.015,589 0.01,590 0.423,591 0.67,592 1,593 0.973,594 103.612,595 0.283,596 -0.109,597 0.099,598 -0.032,599 0.012,600 0.006,601 -0.079,602 0.149,603 0.097,604 0.131,605 0.014,606 0.135,607 -0.048,608 -0.111,609 -0.146,610 -0.123,611 -0.193,612 -0.142,613 0.068,614 0.046,615 0.113,616 0.033,617 0.164,618 0.073,619 -0.211,620 0.029,621 -0.102,622 0.018,623 -0.109,624 -0.027,625 -0.167,626 -0.019,627 -0.154,628 -0.049,629 -0.116,630 -0.094,631 0.014,632 -0.159,633 -0.065,634 -0.12,635 0.036,636 -0.105,637 -0.021,638 -0.123,639 -0.126,640 -0.143,641 -0.058,642 -0.143,643 1.088,644 2.886,645 0.783,646 16.491,647 0.984,648 1.123,649 3.812,650 14.531,651 0.656,652 3.296,653 3.664,654 3.97,655 4.344,656 4.654,657 4.875,658 5.088,659 5.236,660 5.361,661 5.394,662 4.709,663 0.607,664 308.46,665 3.296,666 4.86,667 5.733,668 6.648,669 7.549,670 8.472,671 9.387,672 10.313,673 11.234,674 12.162,675 4.3,678 1,681 1,688 7,693 5,695 12,706 1,714 47,716 12,717 2,718 26,720 50,721 20,722 12,723 5,724 7,730 4,731 11,736 1,740 4,743 4,745 12,746 8,761 1,764 24,765 3,767 3,773 2,777 0.25,778 1,792 1,793 2,794 1,797 1,798 2,815 1,819 1,823 3,827 23,833 3,835 1,837 2,838 2,847 2.1,851 1,854 11.5,855 9.317,856 4.889,857 2.858,858 2.509,859 1.325,860 0.992,861 3.724,862 10.224,863 3.497,864 4.078,865 4.615,866 5.192,867 5.754,868 6.014,869 6.423,870 6.838,871 7.21,872 7.51,873 0.8,874 41,875 8.536,877 3.637,878 7.37,879 17.074,881 14.669,883 1.87,884 43,885 0.001,887 1,888 282.506,889 114.626,890 8.863,892 11.219,895 114.626,896 293.725,897 8.863,898 25.618,899 7.175,900 66.334,901 11.219,902 24.362,904 282.506,906 282.506,907 123.488,908 11.219,911 258.964,912 23.542,913 11.219,915 19.124,916 104.364,919 282.506,920 20.082,921 114.626,924 282.506,925 22.674,926 100.815,928 11.219,929 282.506,930 20.082,931 114.626,933 0.588,934 0.332,935 0.198,936 0.12,937 21,938 9,939 0.04,940 2,941 3,942 1.333,943 3.387,944 203.176,945 0.333,946 18,947 102.042,951 14.888,952 5.752,953 2.695,955 20.082,956 15.565,961 6.735,964 417.214,965 32,975 46.251,976 52.773,977 0.24,978 0.545,979 0.778,980 0.846,981 0.884,982 0.892,983 4.771,984 1.384,985 5.74,986 4.309,987 4.344,988 4.762,989 2.665,990 6.6,991 4.289,992 5.962,993 1.034,994 7.321,995 3.26,996 4.007,997 4.527,998 1.494,999 7.564,1000 3.909,1001 7.265,1002 0.784,1003 9,1004 2.75,1005 5.974,1006 6.866,1007 4.123,1008 10.721,1009 5.866,1010 8.598,1011 0.293,1012 10.74,1013 2.199,1014 6.431,1015 7.413,1016 3.425,1017 12.537,1018 6.282,1019 9.963,1020 -0.234,1021 12.519,1022 0.74,1023 7.898,1024 9.271,1025 5.801,1026 15.218,1027 7.738,1028 11.351,1029 -0.318,1030 14.326,1031 -0.591,1032 8.733,1033 10.2,1034 5.424,1035 17.394,1036 8.534,1037 12.757,1038 -0.628,1039 16.155,1040 -0.877,1041 10.005,1042 11.837,1043 7.512,1044 19.915,1045 9.789,1046 3.295,1047 -0.851,1048 18.001,1049 -1.711,1050 11.022,1051 12.969,1052 7.37,1053 22.245,1054 10.77,1055 2.755,1056 11.659,1057 19.86,1058 -2,1059 12.222,1060 14.492,1061 9.233,1062 24.713,1063 11.948,1064 2.643,1065 9.345,1066 21.73,1067 4.054,1068 13.325,1069 15.734,1070 9.273,1071 27.11,1072 13.016,1073 2.261,1074 8.181,1075 23.609,1076 3.758,1077 14.503,1078 17.195,1079 10.961,1080 29.563,1081 14.168,1082 2.119,1083 6.611,1084 25.495,1085 2.92,1086 15.647,1087 18.499,1088 11.144,1089 31.99,1090 15.279,1091 1.754,1092 5.849,1093 27.387,1094 2.743,1095 16.822,1096 19.926,1097 12.694,1098 34.44,1099 16.425,1100 1.542,1101 4.474,1102 29.284,1103 2.358,1104 17.986,1105 21.265,1106 12.994,1107 36.88,1108 17.557,1109 4741,1110 6623,1111 17.512,1112 30.841,1113 40.139,1114 41.552,1115 41.049,1116 39.802,1117 39.723,1118 48.624,1119 8.704,1120 118.754,1121 38.61,1122 5.446,1123 6.439,1124 6.591,1125 5.31,1126 5.295,1127 7.054,1128 4.661,1129 19.147,1130 5.198,1131 10.416,1132 1.544,1133 1.598,1134 1.579,1135 1.531,1136 1.528,1137 1.87,1138 0.335,1139 4.567,1140 1.485,1141 4.08,1142 4.109,1143 4.026,1144 4.005,1145 4.865,1146 4.005,1147 3.82,1148 3.85,1149 3.754,1150 3.772,1151 4.646,1152 3.764,1153 3.737,1154 3.796,1155 3.627,1156 3.561,1157 4.552,1158 3.569,1159 3.481,1160 3.562,1161 3.332,1162 3.253,1163 4.257,1164 3.258,1165 3.276,1166 3.344,1167 3.123,1168 3.164,1169 3.927,1170 3.146,1171 2.989,1172 3.071,1173 2.815,1174 2.836,1175 3.682,1176 2.82,1177 2.944,1178 3.03,1179 2.765,1180 2.795,1181 3.645,1182 2.774,1183 2.874,1184 3.009,1185 2.714,1186 2.726,1187 3.6,1188 2.718,1189 0.173,1190 0.171,1191 0.266,1192 0.164,1193 0.127,1194 4.507,1195 0.156,1196 4.439,1197 0.093,1198 6.909,1199 0.448,1200 4.264,1201 0.123,1202 3.295,1203 4.054,1204 2.43,1205 11.659,1206 3.198,1207 1.968,1208 1.945,1209 2.078,1210 2.036,1211 1.327,1212 2.051,1213 1.898,1214 1.87,1215 2.011,1216 1.986,1217 1.237,1218 1.996,1219 1.657,1220 1.591,1221 1.891,1222 1.889,1223 1.105,1224 1.895,1225 1.403,1226 1.327,1227 1.685,1228 1.606,1229 0.87,1230 1.637,1231 1.311,1232 1.248,1233 1.592,1234 1.515,1235 0.74,1236 1.536,1237 1.162,1238 1.101,1239 1.417,1240 1.412,1241 0.605,1242 1.414,1243 0.966,1244 0.886,1245 1.411,1246 1.239,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.311,1252 1.178,1253 0.436,1254 1.229,1255 3.97,1257 5.323,1258 2.398,1259 6.86,1260 4.844,1261 8.487,1262 7.066,1263 10.168,1265 6.374,1271 2.986,1273 6.386,1275 0.564,1276 4.391,1280 28.552,1281 62.588,1282 142.276,1283 203.15,1284 220.801,1285 230.801,1286 232.801,1287 28.063,1288 7.715,1289 15.71,1290 15.71,1291 24,1292 12.667,1293 3.7,1294 2.807,1295 31.477,1296 66,1297 67,1298 0.251,1299 173.064,1300 298.27,1301 414.037,1302 22296,1304 15.974,1305 0.695,1306 0.614,1307 15.974,1308 14.12,1309 11.114,1310 0.427,1311 0.323,1312 8.306,1313 10.793,1314 7.967,1315 6.642,1316 11.114,1317 8.397,1318 10.581,1319 0.278,1320 0.186,1321 10.581,1322 7.075,1323 8.549,1324 0.164,1325 0.094,1326 8.549,1327 4.874,1328 7.845,1329 0.103,1330 0.051,1331 7.845,1332 3.869,1333 6.782,1334 0.065,1335 0.028,1336 6.782,1337 2.887,1338 0.369,1339 68.821,1340 0.239,1341 21.67,1342 0.768,1343 128,1344 281.026,1345 136.37,1346 276.32,1347 394.07,1348 262,1349 154,1350 306.579,1351 164.59,1352 312.854,1353 459.77,1354 293,1355 6} {0 CHEMBL86223,1 1.511,2 13.029,3 3.518,4 12.374,5 136.867,6 6.995,7 0.421,8 4.296,9 4.431,10 3.802,11 3.807,12 5.361,13 3.778,14 4.858,15 5.056,16 4.191,17 4.223,18 5.889,19 4.173,20 5.114,21 5.313,22 4.256,23 4.391,24 6.189,25 4.308,26 5.297,27 5.552,28 4.159,29 4.371,30 6.361,31 4.26,32 5.131,33 5.369,34 4.118,35 4.286,36 6.165,37 4.195,38 5.105,39 5.328,40 4.204,41 4.325,42 6.174,43 4.245,44 5.173,45 5.404,46 4.181,47 4.367,48 6.2,49 4.27,50 5.197,51 5.444,52 4.098,53 4.362,54 6.166,55 4.248,56 0.037,57 1.016,58 14.993,59 5.994,60 8.96,61 8.468,62 0.413,63 1.633,64 28.377,65 9.953,66 33.221,67 14.614,68 0.345,69 1.971,70 36.91,71 13.452,72 48.633,73 19.173,74 0.689,75 2.078,76 47.641,77 14.885,78 123.073,79 21.84,80 0.486,81 1.849,82 39.535,83 12.858,84 79.712,85 18.59,86 0.393,87 1.882,88 37.605,89 12.907,90 61.125,91 18.632,92 0.408,93 1.991,94 40.458,95 13.707,96 66.179,97 19.919,98 0.507,99 1.985,100 42.146,101 13.923,102 75.103,103 20.366,104 53,105 55,106 0.238,107 0.563,108 0.748,109 0.813,110 0.835,111 0.835,112 3.588,113 0.939,114 -3.15,115 -3.15,116 -3.02,119 39.7,120 2,121 2,124 2,125 3,129 1,140 8,141 4,150 2,156 2,157 1,169 13,171 2,172 2,174 3,176 6,178 15,182 7,184 2,185 1,186 6,189 10,192 1,193 10,197 6,199 4,203 9,206 1,208 6,211 5,214 1,215 11,218 1,220 6,222 6,226 9,229 1,231 5,233 12,237 3,242 2,244 15,248 2,249 4,252 3,253 1,254 1,256 13,259 2496,260 22.955,261 22.955,262 22.955,263 22.955,264 22.955,265 20.76,266 26.112,267 13.326,268 23.277,269 18.719,270 18.719,271 18.719,272 18.719,273 18.719,274 15.149,275 28.389,276 6.348,277 19.179,278 4.577,279 2.505,280 1.331,281 0.92,282 0.78,283 0.78,284 4.277,289 1,290 969,291 4.416,294 194.131,295 228.107,298 157.257,302 2.261,303 37.164,306 1,307 0.83,308 0.83,309 1,310 0.5,311 1,312 1,313 0.88,314 75.5,315 456,316 4.675,317 4.192,318 7.415,319 4.466,320 3.492,321 4.618,322 2.035,323 12.883,324 3.395,325 4.593,326 3.629,327 6.848,328 4.238,329 3.252,330 3.758,331 1.597,332 11.41,333 3.205,334 3.982,335 3.396,336 5.98,337 3.628,338 2.633,339 3.467,340 1.081,341 8.272,342 2.615,343 3.88,344 3.135,345 5.937,346 3.502,347 2.514,348 3.407,349 0.8,350 8.157,351 2.491,352 3.632,353 2.742,354 5.351,355 3.411,356 2.439,357 2.896,358 0.495,359 6.981,360 2.355,361 3.536,362 2.717,363 5.255,364 3.209,365 2.244,366 2.694,367 0.473,368 6.588,369 2.191,370 3.356,371 2.639,372 5.127,373 3.132,374 2.172,375 2.623,377 5.923,378 2.055,379 3.141,380 2.53,381 4.947,382 2.832,383 1.863,384 2.182,386 5.028,387 1.796,388 3.028,389 2.095,390 4.629,391 2.657,392 1.648,393 2.104,395 4.811,396 1.64,397 2.933,398 1.822,399 4.327,400 2.514,401 1.527,402 2.037,404 3.812,405 1.507,406 2.734,407 1.647,408 3.679,409 2.265,410 1.279,411 1.774,413 3.078,414 1.255,415 2.5,416 1.541,417 3.588,418 2,419 1,420 1.5,422 2.393,423 1,424 2.308,425 1.141,426 3.553,427 1.977,428 0.986,429 1.233,431 2.164,432 0.972,433 2.159,434 1.053,435 3.247,436 1.865,437 0.873,438 1.021,440 2.136,441 0.86,442 1.762,443 1,444 3.059,445 1.426,446 0.439,447 0.555,449 1.041,450 0.429,451 16.5,452 0.471,453 1.105,454 0.032,455 41.25,456 1.179,457 18.5,458 0.529,459 22.75,460 0.65,461 35.069,462 1.002,463 38.7,464 0.569,465 35.997,466 1.028,467 8.255,468 0.236,469 8.397,470 0.24,471 0.182,472 0.03,473 0.321,479 0.734,480 1.445,481 0.85,482 1.157,483 0.557,484 1.032,485 0.639,486 1,487 0.815,488 0.878,489 0.5,490 0.861,491 0.889,492 1.238,493 1.074,494 1.253,495 0.891,496 1.197,497 1.288,498 0.964,499 1.044,500 0.933,501 1.319,502 0.951,503 1.292,504 0.986,505 1.026,506 0.937,507 1.315,508 0.944,509 1.027,510 1.096,511 0.959,512 1.039,513 0.992,514 0.996,515 1.078,516 1.08,517 1.049,518 1.06,519 0.997,520 1.048,521 1.179,522 0.936,523 1.092,524 0.94,525 1.124,526 0.99,527 8.5,528 0.344,529 4.889,530 3.375,531 1.739,532 1.264,533 1.035,534 0.691,535 0.502,536 0.434,537 18018,538 44830,539 2.017,540 48.5,542 20,545 3,547 10,550 1.77,551 1.85,552 3.633,553 0.792,559 102.736,560 1.511,561 3.582,562 4.756,563 5.168,564 5.308,565 5.308,566 3.111,567 4.729,568 5.097,569 3.871,570 2303.4,571 8.968,572 36617.3,577 413.947,578 1.652,579 5.033,580 0.224,581 0.009,582 0.089,583 0.061,584 0.036,585 0.026,586 0.02,587 0.014,588 0.011,589 0.01,590 0.499,591 0.33,592 0.88,593 1.051,594 190.036,595 -0.042,596 -0.178,597 0.045,598 -0.041,599 -0.046,600 0.006,601 0.178,602 0.167,603 0.13,604 0.147,605 0.085,606 0.133,607 0.026,608 -0.143,609 -0.124,610 -0.214,611 -0.013,612 -0.194,613 -0.084,614 -0.014,615 -0.027,616 0.025,617 -0.029,618 0.011,619 -0.137,620 0.011,621 -0.024,622 0.043,623 -0.104,624 0.027,625 -0.019,626 -0.056,627 0.017,628 -0.031,629 0.013,630 -0.007,631 -0.097,632 -0.047,633 -0.073,634 -0.062,635 -0.042,636 -0.062,637 -0.175,638 0.067,639 -0.107,640 0.043,641 -0.136,642 -0.01,643 2.122,644 6.126,645 0.571,646 44.323,647 0.998,648 1.131,649 1.923,650 3.698,651 0.648,652 3.664,653 4.025,654 4.277,655 4.533,656 4.727,657 4.779,658 4.913,659 5.088,660 5.198,661 5.333,662 7.906,663 0.612,664 475.65,665 3.664,666 5.231,667 6.084,668 6.98,669 7.857,670 8.759,671 9.649,672 10.554,673 11.451,674 12.359,675 7.4,678 1,682 3,683 1,687 2,688 8,690 1,693 4,695 16,702 1,714 68,716 19,717 2,718 38,720 71,721 27,722 14,723 4,724 8,725 1,730 4,731 5,735 1,736 2,741 1,743 2,745 17,746 10,747 1,750 3,755 3,759 3,764 33,765 7,766 3,767 8,773 5,775 1,777 0.75,778 3,788 1,792 2,793 2,796 1,815 1,819 3,823 4,827 35,833 5,834 2,838 2,839 1,847 4.4,850 3,854 18.917,855 13.317,856 7.542,857 4.006,858 2.993,859 1.371,860 0.966,861 7.41,862 11.066,863 3.912,864 4.497,865 5.046,866 5.601,867 6.108,868 6.397,869 6.778,870 7.199,871 7.384,872 7.629,873 0.889,874 55,875 13.054,877 5.615,878 7.793,879 24.879,881 20.545,883 2.293,884 80.25,888 353.133,889 152.355,890 59.056,892 75.435,895 152.355,896 428.568,897 59.056,898 34.443,899 50.532,900 75.81,901 84.844,902 32.04,903 9.177,904 353.133,906 353.133,907 211.411,908 75.435,911 235.422,912 193.146,915 88.092,916 123.318,919 353.133,920 134.49,921 152.355,924 353.133,925 42.102,926 116.502,927 52.807,928 75.435,929 353.133,930 134.49,931 152.355,933 0.593,934 0.337,935 0.174,936 0.097,937 26,938 13,939 0.127,940 9,941 1,942 1.1,943 4.474,944 328.807,945 0.1,946 20,947 171.525,951 25.116,952 10.326,953 5.643,954 1.884,955 117.705,956 15.83,958 3.314,961 3.588,963 52.807,964 639.979,965 49,970 37.851,974 -0.706,975 67.861,976 76.933,977 0.248,978 0.588,979 0.781,980 0.849,981 0.872,982 0.872,983 5.182,984 1.863,985 6.116,986 5.923,987 4.71,988 5.185,989 2.801,990 6.982,991 4.666,992 6.405,993 1.648,994 7.72,995 5.028,996 4.511,997 5.121,998 2.078,999 8.16,1000 4.449,1001 7.734,1002 1.527,1003 9.435,1004 4.811,1005 6.395,1006 7.375,1007 3.583,1008 11.232,1009 6.306,1010 9.099,1011 1.279,1012 11.218,1013 3.812,1014 7.004,1015 8.123,1016 3.575,1017 13.256,1018 6.897,1019 10.498,1020 1,1021 13.047,1022 3.078,1023 8.428,1024 9.917,1025 4.676,1026 15.932,1027 8.296,1028 11.923,1029 0.986,1030 14.909,1031 2.393,1032 9.39,1033 11.053,1034 5.015,1035 18.277,1036 9.236,1037 13.369,1038 0.873,1039 16.796,1040 2.164,1041 10.665,1042 12.672,1043 5.918,1044 20.845,1045 10.487,1046 3.492,1047 0.439,1048 18.703,1049 2.136,1050 11.781,1051 14.003,1052 6.436,1053 23.308,1054 11.578,1055 3.252,1056 12.883,1057 20.626,1058 1.041,1059 13.013,1060 15.555,1061 7.24,1062 25.848,1063 12.784,1064 2.633,1065 11.41,1066 22.561,1067 4.618,1068 14.193,1069 16.984,1070 7.849,1071 28.356,1072 13.938,1073 2.514,1074 8.272,1075 24.507,1076 3.758,1077 15.417,1078 18.511,1079 8.604,1080 30.892,1081 15.136,1082 2.439,1083 8.157,1084 26.461,1085 3.467,1086 16.625,1087 19.989,1088 9.261,1089 33.418,1090 16.317,1091 2.244,1092 6.981,1093 28.422,1094 3.407,1095 17.851,1096 21.511,1097 9.993,1098 35.955,1099 17.515,1100 2.172,1101 6.588,1102 30.388,1103 2.896,1104 19.073,1105 23.013,1106 10.675,1107 38.49,1108 18.709,1109 17394,1110 27588,1111 24.561,1112 44.052,1113 58.539,1114 60.568,1115 59.08,1116 57.574,1117 57.508,1118 72.678,1119 12.96,1120 171.168,1121 56.301,1122 5.622,1123 6.192,1124 7.217,1125 5.513,1126 5.492,1127 7.618,1128 3.512,1129 20.564,1130 5.395,1131 21.368,1132 1.541,1133 1.594,1134 1.555,1135 1.515,1136 1.513,1137 1.913,1138 0.341,1139 4.504,1140 1.482,1141 4.16,1142 4.191,1143 4.123,1144 4.077,1145 7.447,1146 4.084,1147 3.913,1148 3.952,1149 3.854,1150 3.848,1151 7.429,1152 3.84,1153 3.9,1154 3.94,1155 3.833,1156 3.699,1157 7.409,1158 3.727,1159 3.675,1160 3.749,1161 3.567,1162 3.535,1163 4.926,1164 3.535,1165 3.586,1166 3.647,1167 3.468,1168 3.373,1169 4.753,1170 3.383,1171 3.41,1172 3.478,1173 3.286,1174 3.208,1175 4.339,1176 3.218,1177 3.272,1178 3.346,1179 3.13,1180 3.087,1181 4.326,1182 3.084,1183 3.156,1184 3.236,1185 2.996,1186 2.94,1187 4.242,1188 2.945,1189 0.123,1190 0.11,1191 0.195,1192 0.118,1193 0.092,1194 4.675,1195 0.122,1196 4.192,1197 0.054,1198 7.415,1199 0.339,1200 4.466,1201 0.089,1202 3.492,1203 4.618,1204 2.035,1205 12.883,1206 3.395,1207 1.971,1208 1.948,1209 2.069,1210 2.048,1211 1.306,1212 2.056,1213 1.911,1214 1.881,1215 2.041,1216 2.008,1217 1.174,1218 2.019,1219 1.717,1220 1.668,1221 1.912,1222 1.912,1223 1.148,1224 1.916,1225 1.677,1226 1.627,1227 1.89,1228 1.87,1229 1.077,1230 1.876,1231 1.539,1232 1.475,1233 1.72,1234 1.794,1235 0.943,1236 1.772,1237 1.497,1238 1.428,1239 1.709,1240 1.744,1241 0.807,1242 1.727,1243 1.277,1244 1.201,1245 1.552,1246 1.519,1247 0.687,1248 1.535,1249 1.17,1250 1.122,1251 1.417,1252 1.44,1253 0.521,1254 1.421,1255 4.344,1257 5.694,1258 3.045,1259 7.22,1260 5.587,1261 8.828,1262 7.803,1263 10.483,1265 7.436,1271 2.815,1272 5.744,1276 3.365,1277 -0.872,1280 41.627,1281 102.736,1282 243.575,1283 323.418,1284 351.418,1285 360.928,1286 360.928,1287 85.231,1288 8.072,1289 97.54,1290 97.54,1291 22,1292 12.878,1293 4.322,1294 3.585,1295 59.345,1296 162,1297 173,1298 0.173,1299 256.876,1300 448.49,1301 618.538,1302 37769,1304 25.165,1305 0.719,1306 0.594,1307 25.165,1308 20.774,1309 16.653,1310 0.438,1311 0.313,1312 11.738,1313 16.057,1314 11.292,1315 9.44,1316 16.653,1317 11.899,1318 15.896,1319 0.289,1320 0.179,1321 15.896,1322 9.842,1323 12.757,1324 0.18,1325 0.09,1326 12.757,1327 6.371,1328 10.279,1329 0.112,1330 0.047,1331 10.279,1332 4.368,1333 8.134,1334 0.073,1335 0.027,1336 8.134,1337 3.014,1338 0.274,1339 104.21,1340 0.202,1341 32.331,1342 0.472,1343 186,1344 511.495,1345 203.134,1346 497.178,1347 672.52,1348 462,1349 219,1350 489.036,1351 237.301,1352 500.977,1353 731.57,1354 467,1355 5.42} {0 CHEMBL86595,1 1.476,2 12.583,3 1.741,4 3.03,5 94.972,6 6.394,7 0.231,8 4.033,9 4.175,10 3.468,11 3.467,12 4.963,13 3.437,14 4.625,15 4.836,16 3.756,17 3.851,18 5.495,19 3.782,20 4.884,21 5.144,22 3.785,23 3.967,24 5.667,25 3.863,26 4.851,27 5.111,28 3.637,29 3.909,30 5.645,31 3.782,32 4.809,33 5.085,34 3.447,35 3.865,36 5.504,37 3.695,38 4.79,39 5.095,40 3.284,41 3.765,42 5.428,43 3.563,44 4.641,45 4.952,46 3.203,47 3.611,48 5.279,49 3.418,50 4.488,51 4.791,52 3.126,53 3.49,54 5.158,55 3.325,56 0.052,57 0.752,58 13.022,59 4.598,60 7.86,61 6.891,62 0.303,63 1.151,64 24.16,65 7.64,66 22.914,67 11.501,68 0.401,69 1.318,70 31.25,71 9.12,72 29.49,73 14.416,74 0.518,75 1.252,76 30.424,77 8.7,78 34.593,79 13.748,80 0.307,81 1.181,82 28.488,83 9.032,84 25.553,85 14.074,86 0.359,87 1.083,88 27.902,89 8.821,90 26.132,91 13.71,92 0.353,93 0.933,94 24.032,95 7.318,96 22.594,97 11.728,98 0.231,99 0.84,100 20.648,101 5.892,102 18.09,103 9.752,104 3,105 33,106 0.252,107 0.543,108 0.766,109 0.859,110 0.885,111 0.898,112 3.227,113 1.029,114 -3.06,115 -3.06,116 -2.94,119 34.6,121 4,124 1,125 5,127 1,140 3,141 1,142 2,157 1,169 4,172 6,174 2,175 1,176 3,178 4,182 4,184 1,186 1,189 3,192 1,193 4,196 1,197 3,199 3,203 1,208 2,211 2,218 1,219 1,220 1,222 2,229 2,231 2,233 2,242 2,244 1,248 1,249 2,252 1,254 3,256 1,259 848,260 16.836,261 16.836,262 16.836,263 16.836,264 16.836,265 15.8,266 27.413,267 10.477,268 17.392,269 12.825,270 12.825,271 12.825,272 12.825,273 12.825,274 11.187,275 36.619,276 4.94,277 13.643,278 4.224,279 2.522,280 1.212,281 0.668,282 0.515,283 0.438,284 3.918,287 1,288 1,289 1,290 650,291 3.082,295 223.255,299 114.591,302 1.951,303 17.064,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 52,315 302,316 4.384,317 3.37,318 6.517,319 4.017,320 3.056,321 4.027,322 1.263,323 10.24,324 2.933,325 3.842,326 3.043,327 5.433,328 3.431,329 2.522,330 3.091,331 0.86,332 7.141,333 2.292,334 3.531,335 2.817,336 5.34,337 3.362,338 2.429,339 2.695,340 0.86,341 6.965,342 2.258,343 3.189,344 2.277,345 5.006,346 2.882,347 1.948,348 2.302,349 0.4,350 5.686,351 1.807,352 2.911,353 1.936,354 4.176,355 2.707,356 1.743,357 2.06,358 0.277,359 3.777,360 1.677,361 2.748,362 1.831,363 3.816,364 2.527,365 1.541,366 1.751,367 0.247,368 3.564,369 1.517,370 2.505,371 1.685,372 3.599,373 2.425,374 1.462,375 1.497,377 3.087,378 1.405,379 2.179,380 1.409,381 3.402,382 2.013,383 1.06,384 1.145,386 2.29,387 1.006,388 2.119,389 1.349,390 3.247,391 1.917,392 1,393 1.072,395 2.169,396 0.916,397 2.018,398 1.28,399 3.247,400 1.913,401 1,402 1.014,404 2.136,405 0.905,406 1.56,407 0.826,408 2.808,409 1.349,410 0.439,411 0.473,413 0.843,414 0.396,415 1.396,416 0.621,417 2.716,418 1.222,419 0.313,420 0.333,422 0.579,423 0.283,424 0.898,425 0.014,426 2.375,427 0.716,428 -0.225,429 -0.237,431 -0.533,432 -0.211,433 0.758,434 -0.094,435 2.273,436 0.446,437 -0.491,438 -0.57,440 -1.041,441 -0.455,442 0.574,443 -0.276,444 2.11,445 0.385,446 -0.557,447 -0.593,449 -1.271,450 -0.52,451 11.267,452 0.469,453 0.307,454 0.013,455 24.5,456 1.021,457 8.5,458 0.354,459 16,460 0.667,461 21.946,462 0.914,463 28.333,464 0.545,465 15.342,466 0.639,467 4.787,468 0.199,469 7.077,470 0.295,471 0.044,473 0.222,479 0.993,480 1.585,481 0.954,482 1.34,483 0.907,484 1.16,485 1.244,486 1.099,487 1.082,488 1.116,489 1.115,490 1.08,491 1.219,492 1.025,493 0.989,494 0.967,495 1.132,496 0.945,497 1.292,498 0.957,499 1.17,500 1,501 1.27,502 1.053,503 1.018,504 1.074,505 1.104,506 1.115,507 1.044,508 1.124,509 0.852,510 0.893,511 0.982,512 0.987,513 0.883,514 1.008,515 0.69,516 0.926,517 0.87,518 0.914,519 0.709,520 0.922,521 0.896,522 0.979,523 0.965,524 0.932,525 0.94,526 0.942,527 3,528 0.054,529 1.778,530 0.938,531 0.858,532 0.417,533 0.221,534 0.099,535 0.123,536 0.077,537 7834,538 16844,539 2.114,540 53.8,541 2,542 17,545 3,547 2,548 4,550 1.658,551 2.057,552 3.603,553 0.998,554 1,555 1,559 76.758,560 1.476,561 3.179,562 4.489,563 5.032,564 5.186,565 5.263,566 3.074,567 3.97,568 4.558,569 3.779,570 1043.01,571 7.804,572 13423.3,574 1,576 1,577 296.423,578 0.974,579 4.551,580 0.115,581 0.003,582 0.054,583 0.028,584 0.032,585 0.019,586 0.012,587 0.006,588 0.008,589 0.005,590 0.282,591 0.33,592 1,593 0.573,594 118.712,595 -0.039,596 -0.211,597 0.065,598 -0.098,599 0.032,600 -0.011,601 -0.044,602 0.074,603 -0.049,604 -0.047,605 0.015,606 -0.049,607 -0.059,608 -0.01,609 0.022,610 0.017,611 -0.029,612 0.032,613 -0.066,614 0.064,615 -0.15,616 -0.036,617 -0.11,618 -0.091,619 -0.111,620 -0.097,621 -0.139,622 -0.113,623 -0.134,624 -0.128,625 -0.002,626 0.005,627 -0.031,628 -0.032,629 -0.022,630 -0.04,631 0.123,632 -0.039,633 0.078,634 0.027,635 0.108,636 0.039,637 -0.068,638 -0.028,639 -0.002,640 -0.001,641 -0.082,642 0.011,643 1.095,644 2.589,645 0.667,646 24.444,647 0.994,648 1.142,649 1.827,650 3.338,651 0.617,652 3.296,653 3.526,654 3.761,655 3.97,656 4.159,657 4.094,658 4.143,659 4.143,660 4.159,661 4.007,662 7.399,663 0.574,664 332.5,665 3.296,666 4.779,667 5.595,668 6.428,669 7.261,670 8.104,671 8.944,672 9.794,673 10.64,674 11.494,675 7.7,677 3,684 1,688 3,693 3,695 6,712 2,714 52,716 7,717 1,718 26,720 54,721 18,722 6,723 3,724 3,730 3,731 4,734 1,740 4,743 5,745 7,746 11,750 1,758 1,759 1,760 1,761 1,764 28,765 6,766 3,767 6,773 4,777 0.667,778 2,793 3,797 1,814 3,819 2,823 1,827 24,833 9,834 3,835 2,837 1,847 3.8,852 2,854 11.667,855 9.117,856 5.556,857 3.303,858 1.398,859 1.201,860 0.956,861 6.756,862 8.337,863 3.434,864 3.861,865 4.301,866 4.722,867 5.125,868 5.118,869 5.255,870 5.36,871 5.482,872 5.238,873 1,874 33,875 8.905,877 3.618,878 7.458,879 17.685,881 14.308,883 1.958,884 47,885 0.001,888 294.278,889 75.55,890 70.818,892 22,895 75.55,896 316.277,897 70.818,898 10.883,899 20.667,900 82.461,902 52.458,903 1.899,904 294.278,906 294.278,907 146.368,908 22,911 223.651,912 92.626,915 91.484,916 54.883,919 294.278,920 92.818,921 75.55,924 294.278,925 36.238,926 39.312,927 54.032,928 38.785,929 294.278,930 92.818,931 75.55,933 0.551,934 0.322,935 0.177,936 0.095,937 14,938 5,939 0.148,940 8,941 1,942 1.125,943 3.891,944 175.961,945 0.125,946 16,947 110.039,951 17.522,952 9.254,953 5.097,955 92.818,956 6.02,961 3.098,963 54.032,964 462.645,965 30,973 4.4,974 0.947,975 51.665,976 59.394,977 0.259,978 0.558,979 0.787,980 0.883,981 0.91,982 0.923,983 4.64,984 1.06,985 5.509,986 3.087,987 4.205,988 4.543,989 2.001,990 6.225,991 4.086,992 5.744,993 1,994 6.997,995 2.29,996 3.434,997 4.086,998 0.623,999 6.952,1000 3.249,1001 6.992,1002 1,1003 8.59,1004 2.169,1005 5.687,1006 6.524,1007 1.925,1008 10.056,1009 5.456,1010 8.279,1011 0.439,1012 10.253,1013 2.136,1014 5.832,1015 7.005,1016 1.178,1017 11.718,1018 5.535,1019 9.608,1020 0.313,1021 11.964,1022 0.843,1023 7.452,1024 8.868,1025 2.027,1026 14.304,1027 7.122,1028 10.965,1029 -0.225,1030 13.71,1031 0.579,1032 8.069,1033 9.798,1034 1.663,1035 16.351,1036 7.686,1037 12.346,1038 -0.491,1039 15.48,1040 -0.533,1041 9.397,1042 11.418,1043 2.249,1044 18.767,1045 8.984,1046 3.056,1047 -0.557,1048 17.27,1049 -1.041,1050 10.26,1051 12.572,1052 2.128,1053 20.976,1054 9.804,1055 2.522,1056 10.24,1057 19.075,1058 -1.271,1059 11.457,1060 14.079,1061 2.561,1062 23.334,1063 10.971,1064 2.429,1065 7.141,1066 20.893,1067 4.027,1068 12.445,1069 15.345,1070 2.589,1071 25.61,1072 11.921,1073 1.948,1074 6.965,1075 22.72,1076 3.091,1077 13.586,1078 16.798,1079 2.935,1080 27.949,1081 13.03,1082 1.743,1083 5.686,1084 24.555,1085 2.695,1086 14.637,1087 18.123,1088 3.051,1089 30.253,1090 14.045,1091 1.541,1092 3.777,1093 26.397,1094 2.302,1095 15.756,1096 19.547,1097 3.346,1098 32.584,1099 15.131,1100 1.462,1101 3.564,1102 28.244,1103 2.06,1104 16.837,1105 20.904,1106 3.513,1107 34.9,1108 16.176,1109 7480,1110 11070,1111 17.97,1112 32.069,1113 37.072,1114 37.668,1115 37.689,1116 37.005,1117 37.029,1118 42.917,1119 7.813,1120 96.952,1121 34.789,1122 5.356,1123 5.37,1124 6.342,1125 5.114,1126 5.056,1127 7.027,1128 2.232,1129 17.056,1130 4.933,1131 6.566,1132 1.426,1133 1.449,1134 1.45,1135 1.423,1136 1.424,1137 1.651,1138 0.301,1139 3.729,1140 1.338,1141 3.994,1142 4.016,1143 3.934,1144 3.898,1145 4.917,1146 3.903,1147 3.826,1148 3.903,1149 3.725,1150 3.619,1151 4.751,1152 3.632,1153 3.679,1154 3.751,1155 3.543,1156 3.508,1157 4.563,1158 3.506,1159 3.529,1160 3.591,1161 3.373,1162 3.383,1163 4.296,1164 3.37,1165 3.259,1166 3.355,1167 3.087,1168 3.048,1169 4.151,1170 3.047,1171 3.25,1172 3.313,1173 3.075,1174 2.965,1175 3.944,1176 2.979,1177 3.046,1178 3.134,1179 2.86,1180 2.834,1181 3.739,1182 2.833,1183 2.924,1184 3.043,1185 2.703,1186 2.646,1187 3.733,1188 2.641,1189 0.169,1190 0.13,1191 0.251,1192 0.154,1193 0.118,1194 4.384,1195 0.155,1196 3.37,1197 0.049,1198 6.517,1199 0.394,1200 4.017,1201 0.113,1202 3.056,1203 4.027,1204 1.263,1205 10.24,1206 2.933,1207 1.944,1208 1.925,1209 2.064,1210 2.066,1211 1.351,1212 2.065,1213 1.757,1214 1.683,1215 1.966,1216 1.993,1217 1.232,1218 1.987,1219 1.661,1220 1.593,1221 1.899,1222 1.868,1223 1.193,1224 1.882,1225 1.534,1226 1.473,1227 1.773,1228 1.716,1229 0.996,1230 1.737,1231 1.239,1232 1.156,1233 1.569,1234 1.514,1235 0.75,1236 1.53,1237 1.193,1238 1.116,1239 1.535,1240 1.492,1241 0.573,1242 1.515,1243 1.028,1244 0.942,1245 1.333,1246 1.289,1247 0.539,1248 1.313,1249 0.903,1250 0.788,1251 1.285,1252 1.223,1253 0.492,1254 1.25,1255 3.97,1257 5.22,1259 6.681,1261 8.243,1263 9.861,1265 1.714,1271 8.985,1272 10.104,1273 11.495,1275 0.238,1280 29.837,1281 76.758,1282 165.296,1283 233.403,1284 261.668,1285 269.668,1286 273.668,1287 34.363,1288 6.939,1289 66.91,1290 66.91,1291 18,1292 12.051,1293 3,1294 2.322,1295 39.831,1296 108,1297 96,1298 0.176,1299 184.712,1300 323,1301 442.458,1302 10473,1304 16.615,1305 0.692,1306 0.602,1307 16.615,1308 14.437,1309 11.865,1310 0.456,1311 0.343,1312 8.767,1313 11.307,1314 8.608,1315 7.123,1316 11.865,1317 8.92,1318 9.698,1319 0.294,1320 0.188,1321 9.698,1322 6.211,1323 8.129,1324 0.194,1325 0.105,1326 8.129,1327 4.412,1328 6.658,1329 0.128,1330 0.06,1331 6.658,1332 3.115,1333 5.321,1334 0.084,1335 0.035,1336 5.321,1337 2.205,1338 0.291,1339 74.981,1340 0.236,1341 24.431,1342 0.443,1343 118,1344 316.115,1345 131.802,1346 294.921,1347 407.74,1348 282,1349 134,1350 297.529,1351 147.859,1352 296.167,1353 432.32,1354 280,1355 6} {0 CHEMBL88152,1 1.469,2 11.864,3 1.734,4 3.005,5 87.974,6 6.782,7 0.5,8 3.87,9 4.008,10 3.363,11 3.367,12 4.87,13 3.338,14 4.422,15 4.618,16 3.638,17 3.731,18 5.353,19 3.667,20 4.7,21 4.956,22 3.616,23 3.824,24 5.528,25 3.711,26 4.641,27 4.911,28 3.374,29 3.73,30 5.384,31 3.578,32 4.568,33 4.856,34 3.223,35 3.642,36 5.261,37 3.469,38 4.481,39 4.776,40 3.124,41 3.53,42 5.18,43 3.351,44 4.369,45 4.667,46 3.054,47 3.414,48 5.096,49 3.244,50 4.222,51 4.509,52 2.964,53 3.318,54 4.947,55 3.161,56 0.039,57 0.662,58 10.178,59 3.849,60 7.533,61 5.586,62 0.17,63 1.024,64 18.695,65 6.27,66 17.866,67 9.292,68 0.379,69 1.174,70 25.83,71 8.245,72 30.101,73 12.293,74 0.291,75 1.08,76 24.31,77 7.878,78 24.365,79 11.867,80 0.226,81 0.994,82 22.536,83 7.385,84 20.844,85 11.358,86 0.217,87 0.904,88 20.682,89 6.784,90 20.686,91 10.458,92 0.262,93 0.805,94 18.621,95 5.919,96 20.563,97 9.195,98 0.148,99 0.716,100 15.822,101 5.116,102 14.957,103 7.967,105 30,106 0.258,107 0.594,108 0.789,109 0.894,110 0.91,111 0.91,112 3.144,113 0.984,114 -3.02,115 -3.02,116 -2.91,119 38.6,121 3,125 3,127 1,140 4,141 1,142 1,143 3,145 1,169 6,172 3,174 1,176 2,178 6,181 1,182 3,184 2,186 1,189 5,193 2,196 1,197 1,199 3,203 2,208 2,211 2,218 1,220 2,222 1,229 2,231 2,233 2,242 1,244 2,248 1,249 1,254 2,256 1,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 13.963,266 21.084,267 9.798,268 15.848,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 9.778,275 30.841,276 4.74,277 12.547,278 3.991,279 2.074,280 0.961,281 0.364,282 0.273,283 0.273,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 13.508,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 47,315 261,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 0.86,323 9.226,324 2.805,325 3.896,326 2.66,327 5.34,328 3.452,329 2.522,330 3.444,331 0.4,332 6.965,333 2.342,334 3.388,335 2.554,336 5.257,337 3.259,338 2.303,339 2.443,340 0.4,341 6.678,342 2.189,343 2.962,344 1.988,345 4.415,346 2.711,347 1.755,348 2.12,350 4.371,351 1.676,352 2.928,353 1.88,354 3.819,355 2.59,356 1.618,357 2.076,359 3.579,360 1.567,361 2.86,362 1.629,363 3.631,364 2.435,365 1.492,366 1.986,368 3.117,369 1.407,370 2.682,371 1.466,372 3.584,373 2.379,374 1.401,375 1.693,377 2.988,378 1.361,379 2.5,380 1.227,381 3.266,382 1.989,383 1.046,384 1.5,386 2.227,387 0.983,388 2.127,389 1,390 3.247,391 1.915,392 1,393 1.11,395 2.136,396 0.913,397 1.887,398 0.805,399 3.136,400 1.667,401 0.695,402 0.806,404 1.589,405 0.673,406 1.428,407 0.569,408 2.755,409 1.267,410 0.335,411 0.359,413 0.747,414 0.311,415 0.947,416 -0.026,417 2.338,418 0.715,419 -0.225,420 -0.249,422 -0.524,423 -0.211,424 0.706,425 -0.291,426 2.131,427 0.384,428 -0.555,429 -0.637,431 -1.23,432 -0.516,433 0.686,434 -0.36,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.596,441 -0.596,442 0.5,443 -0.707,444 1.773,445 0.046,446 -0.888,447 -1.05,449 -1.918,450 -0.822,451 10.433,452 0.474,453 0.256,454 0.012,455 27.5,456 1.25,457 13,458 0.591,459 14.5,460 0.659,461 16.348,462 0.743,463 24.367,464 0.554,465 15.907,466 0.723,467 5.325,468 0.242,469 5.59,470 0.254,473 0.192,479 0.965,480 1.451,481 0.884,482 1.196,483 0.826,484 1.051,485 1.252,486 1.217,487 1.081,488 1.163,489 1.046,490 1.106,491 1.282,492 0.879,493 1.022,494 0.933,495 1.068,496 0.952,497 1.252,498 0.952,499 1.118,500 1.024,501 1.122,502 1.058,503 0.989,504 0.97,505 1.041,506 1.006,507 0.993,508 1.028,509 0.84,510 0.954,511 0.984,512 1.004,513 0.87,514 1.012,515 0.823,516 0.858,517 0.952,518 0.906,519 0.853,520 0.94,521 0.894,522 0.99,523 0.984,524 0.987,525 0.978,526 0.991,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 14984,539 2.153,540 50,541 2,542 11,544 3,545 2,547 2,548 2,550 1.632,551 2.129,552 3.537,553 0.304,554 1,555 1,557 1,559 64.621,560 1.469,561 3.385,562 4.499,563 5.096,564 5.187,565 5.187,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,576 1,577 240.215,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.67,592 1,594 105.786,595 -0.032,596 -0.193,597 0.06,598 -0.071,599 0.072,600 -0.003,601 -0.083,602 -0.081,603 -0.099,604 -0.137,605 -0.001,606 -0.119,607 0.012,608 0.091,609 -0.015,610 0.03,611 0.032,612 0.006,613 -0.123,614 -0.011,615 -0.129,616 -0.059,617 -0.145,618 -0.092,619 -0.095,620 -0.053,621 -0.07,622 -0.04,623 -0.117,624 -0.051,625 0.004,626 -0.048,627 -0.015,628 -0.046,629 -0.009,630 -0.037,631 0.102,632 0.051,633 0.029,634 0.036,635 0.046,636 0.022,637 -0.058,638 -0.053,639 -0.016,640 -0.025,641 -0.108,642 -0.015,643 1.053,644 2.511,645 0.727,646 20,647 0.993,648 1.135,649 1.787,650 3.194,651 0.644,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.603,664 298.43,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 9.1,677 1,680 1,685 2,688 7,689 2,693 3,695 12,707 1,712 1,714 44,716 12,717 1,718 24,720 46,721 17,722 10,723 2,724 4,730 3,731 4,740 3,743 4,745 10,746 7,760 1,761 1,764 22,765 5,766 2,767 5,773 4,777 0.667,778 1,783 1,793 3,797 1,814 1,819 2,827 22,833 6,834 2,835 1,837 1,847 2.3,852 1,854 10.333,855 7.483,856 5.028,857 2.75,858 2.01,859 1.299,860 0.974,861 5.488,862 8.73,863 3.434,864 3.892,865 4.35,866 4.8,867 5.251,868 5.01,869 5.125,870 5.264,871 5.376,872 5.046,873 0.875,874 28,875 8.124,877 3.307,878 7.492,879 15.993,881 12.878,883 1.992,884 43.833,885 0.001,888 235.422,889 89.725,890 69.593,892 11,895 89.725,896 246.422,897 69.593,899 13.921,900 55.916,901 86.895,902 46.571,903 2.328,904 200.109,906 235.422,907 159.317,908 11,911 188.338,912 58.084,915 59.074,916 48.662,917 51.582,919 235.422,920 80.592,921 89.725,924 235.422,925 24.678,926 65.047,927 36.022,928 44.571,929 235.422,930 80.592,931 89.725,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.152,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 98.107,951 15.104,952 7.994,953 4.596,955 80.592,956 13.426,957 8.199,961 3.2,963 36.022,964 405.739,965 30,975 43.687,976 49.939,977 0.269,978 0.62,979 0.824,980 0.933,981 0.95,982 0.95,983 4.605,984 1.046,985 5.389,986 2.988,987 4.111,988 4.575,989 1.138,990 6.057,991 4.011,992 5.712,993 1,994 6.843,995 2.227,996 3.219,997 3.861,999 6.629,1000 3.066,1001 6.939,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.566,1007 0.787,1008 9.728,1009 5.349,1010 8.2,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.75,1017 11.237,1018 5.306,1019 9.499,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.861,1025 0.602,1026 13.773,1027 6.957,1028 10.824,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.509,1035 15.673,1036 7.402,1037 12.172,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.31,1043 0.471,1044 18.008,1045 8.733,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.217,1053 20.081,1054 9.448,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.84,1061 0.367,1062 22.343,1063 10.618,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.901,1071 24.495,1072 11.478,1073 1.755,1074 6.678,1075 22.154,1076 3.444,1077 13.114,1078 16.414,1079 0.283,1080 26.73,1081 12.57,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.571,1089 28.918,1090 13.509,1091 1.492,1092 3.579,1093 25.723,1094 2.12,1095 15.185,1096 19.017,1097 0.217,1098 31.143,1099 14.563,1100 1.401,1101 3.117,1102 27.515,1103 2.076,1104 16.206,1105 20.235,1107 33.348,1108 15.544,1109 6065,1110 9351,1111 16.871,1112 28.33,1113 34.271,1114 34.4,1115 34.265,1116 34.191,1117 34.181,1118 42.706,1119 3.32,1120 87.247,1121 32.457,1122 5.184,1123 5.256,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 1.72,1129 15.535,1130 4.805,1132 1.428,1133 1.433,1134 1.428,1135 1.425,1136 1.424,1137 1.779,1138 0.138,1139 3.635,1140 1.352,1141 3.984,1142 4.012,1143 3.915,1144 3.896,1145 5.012,1146 3.896,1147 3.847,1148 3.91,1149 3.789,1150 3.658,1151 4.859,1152 3.683,1153 3.674,1154 3.745,1155 3.541,1156 3.508,1157 4.392,1158 3.507,1159 3.514,1160 3.578,1161 3.364,1162 3.375,1163 4.243,1164 3.362,1165 3.237,1166 3.332,1167 3.065,1168 3.032,1169 4.085,1170 3.027,1171 3.019,1172 3.096,1173 2.866,1174 2.827,1175 3.939,1176 2.826,1177 2.864,1178 2.927,1179 2.722,1180 2.715,1181 3.82,1182 2.708,1183 2.743,1184 2.825,1185 2.58,1186 2.583,1187 3.568,1188 2.569,1189 0.176,1190 0.136,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.256,1197 0.036,1198 6.183,1199 0.384,1200 3.882,1201 0.117,1202 2.923,1203 3.815,1204 0.86,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.765,1214 1.703,1215 1.941,1216 1.978,1217 1.211,1218 1.965,1219 1.65,1220 1.586,1221 1.825,1222 1.851,1223 0.997,1224 1.856,1225 1.523,1226 1.462,1227 1.759,1228 1.695,1229 0.777,1230 1.721,1231 1.222,1232 1.137,1233 1.524,1234 1.477,1235 0.715,1236 1.499,1237 1,1238 0.924,1239 1.311,1240 1.251,1241 0.503,1242 1.277,1243 0.859,1244 0.801,1245 1.142,1246 1.07,1247 0.249,1248 1.094,1249 0.76,1250 0.683,1251 1.087,1252 0.974,1253 0.179,1254 1.016,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 5.993,1272 6.722,1273 6.011,1275 0.28,1280 26.542,1281 64.621,1282 148.948,1283 197.95,1284 224.215,1285 228.215,1286 228.215,1287 27.166,1288 6.72,1289 59.07,1290 59.07,1291 18,1292 11.843,1293 3.7,1294 2.807,1295 35.009,1296 95,1297 78,1298 0.175,1299 165.269,1300 280.73,1301 395.017,1302 8086,1304 15.037,1305 0.684,1306 0.576,1307 15.037,1308 12.664,1309 10.916,1310 0.455,1311 0.328,1312 7.761,1313 10.506,1314 7.642,1315 6.331,1316 10.916,1317 7.868,1318 8.979,1319 0.299,1320 0.182,1321 8.979,1322 5.461,1323 7.348,1324 0.199,1325 0.102,1326 7.348,1327 3.774,1328 5.928,1329 0.132,1330 0.058,1331 5.928,1332 2.607,1333 4.838,1334 0.088,1335 0.034,1336 4.838,1337 1.844,1338 0.291,1339 68.22,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 285.691,1345 118.48,1346 275.476,1347 381.37,1348 262,1349 121,1350 280.758,1351 131.785,1352 281.854,1353 406.48,1354 267,1355 8} {0 CHEMBL88207,1 1.406,2 11.864,3 2.884,4 8.319,5 90.131,6 6.61,7 0.5,8 3.883,9 4.019,10 3.354,11 3.406,12 4.854,13 3.364,14 4.438,15 4.63,16 3.633,17 3.773,18 5.345,19 3.695,20 4.728,21 4.986,22 3.61,23 3.86,24 5.525,25 3.738,26 4.667,27 4.94,28 3.375,29 3.757,30 5.402,31 3.599,32 4.582,33 4.869,34 3.219,35 3.672,36 5.256,37 3.491,38 4.506,39 4.802,40 3.12,41 3.568,42 5.18,43 3.378,44 4.397,45 4.695,46 3.048,47 3.452,48 5.089,49 3.271,50 4.259,51 4.55,52 2.96,53 3.355,54 4.961,55 3.188,56 0.05,57 0.654,58 10.577,59 4.166,60 7.481,61 5.948,62 0.166,63 1.037,64 19.146,65 6.871,66 17.463,67 9.953,68 0.321,69 1.222,70 26.423,71 8.708,72 27.746,73 12.952,74 0.294,75 1.134,76 24.881,77 8.203,78 24.8,79 12.26,80 0.205,81 1.031,82 22.587,83 7.885,84 19.473,85 11.853,86 0.201,87 0.947,88 20.934,89 7.354,90 19.606,91 11.062,92 0.219,93 0.845,94 18.858,95 6.374,96 18.622,97 9.743,98 0.148,99 0.754,100 16.308,101 5.497,102 14.982,103 8.418,105 30,106 0.245,107 0.569,108 0.765,109 0.894,110 0.912,111 0.912,112 3.144,113 1.002,114 -4.04,115 -3.99,116 -3.78,119 40,121 3,125 3,127 1,140 7,141 1,142 1,143 1,145 1,169 8,172 5,174 1,176 3,178 7,182 4,184 1,186 2,189 5,193 2,196 1,197 2,199 4,203 1,208 2,211 3,218 1,220 3,222 2,229 1,231 3,233 2,242 2,244 2,248 1,249 2,254 2,256 2,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 13.963,266 21.084,267 9.798,268 15.781,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 9.778,275 30.841,276 4.74,277 12.446,278 4.086,279 2.234,280 1.109,281 0.372,282 0.267,283 0.267,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 11.802,304 1,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 46.5,315 261,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 0.86,323 9.226,324 2.805,325 3.896,326 2.66,327 5.34,328 3.462,329 2.522,330 3.444,331 0.4,332 6.965,333 2.371,334 3.388,335 2.554,336 5.257,337 3.259,338 2.303,339 2.443,340 0.4,341 6.678,342 2.189,343 2.962,344 1.988,345 4.415,346 2.718,347 1.755,348 2.12,350 4.371,351 1.688,352 2.928,353 1.88,354 3.819,355 2.59,356 1.618,357 2.076,359 3.579,360 1.568,361 2.86,362 1.629,363 3.631,364 2.458,365 1.492,366 1.986,368 3.117,369 1.437,370 2.682,371 1.466,372 3.584,373 2.387,374 1.401,375 1.693,377 2.988,378 1.376,379 2.5,380 1.227,381 3.266,382 1.992,383 1.046,384 1.5,386 2.227,387 0.986,388 2.127,389 1,390 3.247,391 1.957,392 1,393 1.11,395 2.136,396 0.955,397 1.887,398 0.805,399 3.136,400 1.668,401 0.695,402 0.806,404 1.589,405 0.673,406 1.428,407 0.569,408 2.755,409 1.27,410 0.335,411 0.359,413 0.747,414 0.312,415 0.947,416 -0.026,417 2.338,418 0.721,419 -0.225,420 -0.249,422 -0.524,423 -0.212,424 0.706,425 -0.291,426 2.131,427 0.395,428 -0.555,429 -0.637,431 -1.23,432 -0.522,433 0.686,434 -0.36,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.596,441 -0.596,442 0.5,443 -0.707,444 1.773,445 0.059,446 -0.888,447 -1.05,449 -1.918,450 -0.836,451 10.533,452 0.479,453 0.256,454 0.012,455 27,456 1.227,457 13,458 0.591,459 14,460 0.636,461 16.595,462 0.754,463 24.267,464 0.539,465 15.66,466 0.712,467 5.245,468 0.238,469 5.67,470 0.258,473 0.19,479 0.978,480 1.346,481 0.917,482 1.15,483 0.891,484 1.041,485 1.241,486 1.214,487 1.099,488 1.18,489 1.052,490 1.13,491 1.406,492 0.978,493 1.03,494 0.944,495 1.166,496 0.95,497 1.394,498 0.937,499 1.146,500 0.984,501 1.258,502 1.032,503 0.998,504 0.989,505 1.042,506 1.008,507 1.001,508 1.027,509 0.815,510 0.962,511 0.973,512 0.998,513 0.845,514 1.004,515 0.833,516 0.949,517 0.939,518 0.928,519 0.841,520 0.943,521 0.94,522 0.95,523 0.984,524 0.939,525 1.015,526 0.955,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 13988,539 2.153,540 51.1,541 2,542 14,544 1,545 2,547 2,548 2,550 1.632,551 2.129,552 3.537,553 0.259,554 1,555 1,557 1,559 63.278,560 1.406,561 3.258,562 4.383,563 5.12,564 5.225,565 5.225,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,576 1,577 247.133,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.67,592 1,594 105.786,595 -0.019,596 -0.112,597 0.057,598 -0.035,599 0.037,600 0.013,601 -0.042,602 -0.085,603 -0.102,604 -0.151,605 0.013,606 -0.134,607 -0.042,609 -0.016,610 0.012,611 -0.01,612 0.002,613 -0.143,614 0.031,615 -0.143,616 -0.043,617 -0.177,618 -0.086,619 -0.085,620 -0.056,621 -0.072,622 -0.047,623 -0.111,624 -0.057,625 0.027,626 -0.044,627 -0.008,628 -0.044,629 0.016,630 -0.035,631 0.086,632 -0.03,633 0.036,634 0.014,635 0.05,636 0.016,637 -0.064,638 0.002,639 -0.011,640 0.006,641 -0.111,642 0.006,643 1.043,644 2.52,645 0.727,646 20,647 0.988,648 1.13,649 2.812,650 7.909,651 0.646,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.601,664 297.44,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 6.7,677 1,680 1,685 1,688 8,689 1,693 3,695 12,707 1,712 1,714 45,716 12,717 1,718 24,720 47,721 18,722 11,723 2,724 4,730 3,731 4,740 3,743 4,745 11,746 7,760 1,761 1,764 23,765 4,766 2,767 4,773 3,777 0.667,778 1,786 1,793 3,797 1,814 1,819 2,827 22,833 6,834 2,835 1,837 1,847 2.2,852 1,854 10.333,855 7.617,856 5.028,857 2.839,858 2.01,859 1.299,860 0.978,861 5.543,862 8.73,863 3.434,864 3.892,865 4.35,866 4.8,867 5.251,868 5.01,869 5.125,870 5.264,871 5.376,872 5.046,873 0.875,874 28,875 8.139,877 3.317,878 7.447,879 16.122,881 13.061,883 1.947,884 42.833,885 0.001,887 1,888 247.193,889 100.059,890 52.807,892 11,895 100.059,896 258.193,897 52.807,899 13.921,900 84.344,901 46.567,902 28.476,903 2.328,904 235.422,906 247.193,907 152.866,908 11,911 200.109,912 58.084,915 40.979,916 77.091,917 34.796,919 247.193,920 63.807,921 100.059,924 247.193,925 24.678,926 75.381,927 36.022,928 27.785,929 247.193,930 63.807,931 100.059,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.149,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 98.107,951 15.167,952 8.041,953 4.629,955 63.807,956 16.05,957 4.24,961 3.324,963 36.022,964 411.059,965 30,975 44.469,976 50.856,977 0.256,978 0.593,979 0.798,980 0.932,981 0.951,982 0.951,983 4.605,984 1.046,985 5.389,986 2.988,987 4.111,988 4.575,989 1.138,990 6.057,991 4.025,992 5.712,993 1,994 6.843,995 2.227,996 3.219,997 3.861,999 6.629,1000 3.066,1001 6.939,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.566,1007 0.787,1008 9.728,1009 5.371,1010 8.2,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.75,1017 11.237,1018 5.31,1019 9.499,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.861,1025 0.602,1026 13.773,1027 6.983,1028 10.824,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.509,1035 15.673,1036 7.411,1037 12.172,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.31,1043 0.471,1044 18.008,1045 8.758,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.217,1053 20.081,1054 9.459,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.84,1061 0.367,1062 22.343,1063 10.64,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.901,1071 24.495,1072 11.491,1073 1.755,1074 6.678,1075 22.154,1076 3.444,1077 13.114,1078 16.414,1079 0.283,1080 26.73,1081 12.589,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.571,1089 28.918,1090 13.521,1091 1.492,1092 3.579,1093 25.723,1094 2.12,1095 15.185,1096 19.017,1097 0.217,1098 31.143,1099 14.579,1100 1.401,1101 3.117,1102 27.515,1103 2.076,1104 16.206,1105 20.235,1107 33.348,1108 15.555,1109 6065,1110 9025,1111 16.871,1112 29.086,1113 34.271,1114 34.4,1115 34.265,1116 34.202,1117 34.181,1118 42.706,1119 3.32,1120 87.247,1121 32.721,1122 5.184,1123 5.256,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 1.72,1129 15.535,1130 4.805,1132 1.428,1133 1.433,1134 1.428,1135 1.425,1136 1.424,1137 1.779,1138 0.138,1139 3.635,1140 1.363,1141 3.985,1142 4.013,1143 3.915,1144 3.897,1145 4.916,1146 3.897,1147 3.875,1148 3.926,1149 3.809,1150 3.748,1151 4.857,1152 3.756,1153 3.68,1154 3.75,1155 3.544,1156 3.52,1157 4.39,1158 3.516,1159 3.518,1160 3.581,1161 3.367,1162 3.383,1163 4.222,1164 3.369,1165 3.242,1166 3.335,1167 3.07,1168 3.037,1169 4.02,1170 3.032,1171 3.023,1172 3.1,1173 2.869,1174 2.832,1175 3.823,1176 2.831,1177 2.864,1178 2.927,1179 2.722,1180 2.715,1181 3.818,1182 2.708,1183 2.78,1184 2.862,1185 2.627,1186 2.612,1187 3.568,1188 2.602,1189 0.176,1190 0.136,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.256,1197 0.036,1198 6.183,1199 0.384,1200 3.882,1201 0.117,1202 2.923,1203 3.815,1204 0.86,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.83,1214 1.785,1215 1.971,1216 1.99,1217 1.213,1218 1.988,1219 1.666,1220 1.6,1221 1.886,1222 1.857,1223 0.999,1224 1.872,1225 1.531,1226 1.47,1227 1.773,1228 1.698,1229 0.926,1230 1.726,1231 1.227,1232 1.141,1233 1.528,1234 1.481,1235 0.744,1236 1.503,1237 1.005,1238 0.929,1239 1.315,1240 1.255,1241 0.52,1242 1.281,1243 0.86,1244 0.801,1245 1.143,1246 1.07,1247 0.249,1248 1.094,1249 0.788,1250 0.711,1251 1.107,1252 1.003,1253 0.183,1254 1.04,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 6.109,1272 6.801,1273 6.02,1275 0.29,1280 27.047,1281 63.278,1282 146.621,1283 197.217,1284 230.379,1285 235.133,1286 235.133,1287 27.307,1288 6.72,1289 46.18,1290 46.18,1291 18,1292 11.843,1293 3.7,1294 2.807,1295 35.009,1296 95,1297 78,1298 0.175,1299 168.067,1300 287.03,1301 401.844,1302 8086,1304 15.037,1305 0.684,1306 0.582,1307 15.037,1308 12.794,1309 10.916,1310 0.455,1311 0.334,1312 7.928,1313 10.579,1314 7.797,1315 6.465,1316 10.916,1317 8.018,1318 8.979,1319 0.299,1320 0.186,1321 8.979,1322 5.586,1323 7.348,1324 0.199,1325 0.105,1326 7.348,1327 3.875,1328 5.928,1329 0.132,1330 0.06,1331 5.928,1332 2.684,1333 4.838,1334 0.088,1335 0.035,1336 4.838,1337 1.906,1338 0.291,1339 67.72,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 266.046,1345 117.092,1346 258.236,1347 359.97,1348 246,1349 121,1350 266.645,1351 130.204,1352 268.208,1353 387.84,1354 255,1355 8.3} {0 CHEMBL88208,1 1.447,2 11.143,3 1.695,4 2.872,5 83.643,6 6.41,7 0.261,8 3.892,9 4.039,10 3.334,11 3.354,12 4.805,13 3.319,14 4.48,15 4.69,16 3.627,17 3.745,18 5.349,19 3.667,20 4.747,21 5.021,22 3.533,23 3.808,24 5.497,25 3.676,26 4.644,27 4.923,28 3.335,29 3.704,30 5.359,31 3.551,32 4.584,33 4.877,34 3.186,35 3.637,36 5.228,37 3.452,38 4.519,39 4.829,40 3.082,41 3.526,42 5.159,43 3.33,44 4.399,45 4.707,46 3.005,47 3.4,48 5.047,49 3.215,50 4.265,51 4.572,52 2.907,53 3.295,54 4.93,55 3.129,56 0.055,57 0.674,58 11.188,59 3.888,60 6.219,61 5.977,62 0.244,63 1.045,64 20.65,65 6.652,66 18.576,67 10.164,68 0.361,69 1.139,70 27.087,71 7.97,72 26.79,73 12.69,74 0.32,75 1.027,76 24.362,77 7.285,78 23.222,79 11.53,80 0.22,81 0.955,82 22.54,83 7.226,84 17.879,85 11.434,86 0.252,87 0.868,88 21.153,89 6.763,90 19.122,91 10.63,92 0.235,93 0.768,94 18.786,95 5.69,96 16.377,97 9.252,98 0.185,99 0.689,100 16.454,101 4.766,102 14.643,103 7.889,105 29,106 0.255,107 0.568,108 0.772,109 0.89,110 0.905,111 0.905,112 3.101,113 1.029,114 -3.08,115 -3.08,116 -2.96,119 35.6,121 3,125 5,127 1,140 4,141 1,142 1,157 1,169 6,172 3,174 2,175 1,176 2,178 6,182 3,184 1,186 1,189 5,193 2,196 1,197 2,199 3,203 1,208 2,211 2,218 1,219 1,220 2,222 1,229 1,231 2,233 2,242 1,244 2,248 1,249 1,252 1,254 3,256 1,259 584,260 14.759,261 14.759,262 14.759,263 14.759,264 14.759,265 13.723,266 22.541,267 9.298,268 15.145,269 11.421,270 11.421,271 11.421,272 11.421,273 11.421,274 9.873,275 29.163,276 4.49,277 12.063,278 4.045,279 2.272,280 1.111,281 0.444,282 0.356,283 0.356,284 3.792,287 1,288 1,289 1,290 512,291 2.828,294 64.98,295 116.613,299 99.049,302 1.769,303 13.317,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 45,315 234,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 1.263,323 9.226,324 2.805,325 3.861,326 3.065,327 5.352,328 3.449,329 2.542,330 3.112,331 0.86,332 6.997,333 2.306,334 3.388,335 2.555,336 5.257,337 3.259,338 2.303,339 2.443,340 0.4,341 6.678,342 2.189,343 2.928,344 1.999,345 4.415,346 2.703,347 1.746,348 2.077,349 0.277,350 4.371,351 1.67,352 2.866,353 1.896,354 3.813,355 2.59,356 1.618,357 1.988,358 0.247,359 3.565,360 1.567,361 2.736,362 1.636,363 3.621,364 2.405,365 1.428,366 1.741,368 3.029,369 1.391,370 2.334,371 1.462,372 3.491,373 2.252,374 1.312,375 1.331,377 2.784,378 1.229,379 2.05,380 1.217,381 3.209,382 1.908,383 0.957,384 1,386 2.055,387 0.907,388 1.885,389 1.076,390 3.099,391 1.655,392 0.686,393 0.795,395 1.569,396 0.662,397 1.745,398 0.804,399 3,400 1.518,401 0.618,402 0.664,404 1.372,405 0.556,406 1.344,407 0.569,408 2.686,409 1.212,410 0.28,411 0.293,413 0.623,414 0.26,415 0.866,416 -0.042,417 2.306,418 0.659,419 -0.284,420 -0.307,422 -0.664,423 -0.266,424 0.689,425 -0.3,426 2.095,427 0.352,428 -0.618,429 -0.716,431 -1.487,432 -0.595,433 0.499,434 -0.395,435 2,436 0.284,437 -0.661,438 -0.729,440 -1.606,441 -0.62,442 0.201,443 -0.864,444 1.747,445 -0.09,446 -1.055,447 -1.178,449 -2.557,450 -1.014,451 9.933,452 0.473,453 0.256,454 0.012,455 22,456 1.048,457 8,458 0.381,459 14,460 0.667,461 17.562,462 0.836,463 24.267,464 0.539,465 12.593,466 0.6,467 4.282,468 0.204,469 6.134,470 0.292,473 0.201,479 1.033,480 1.524,481 0.955,482 1.255,483 0.947,484 1.112,485 1.169,486 1.136,487 1.107,488 1.177,489 1.087,490 1.137,491 1.354,492 0.954,493 1.049,494 0.95,495 1.234,496 0.965,497 1.371,498 0.898,499 1.146,500 0.968,501 1.275,502 1.024,503 0.944,504 1.024,505 1.031,506 1.052,507 0.952,508 1.056,509 0.767,510 0.875,511 0.942,512 0.967,513 0.784,514 0.978,515 0.804,516 0.966,517 0.911,518 0.938,519 0.812,520 0.94,521 1.023,522 0.853,523 0.982,524 0.852,525 1.074,526 0.892,527 2.5,528 0.04,529 1.333,530 0.535,531 0.641,532 0.198,533 0.136,534 0.065,535 0.097,536 0.047,537 5656,538 11780,539 2.161,540 53.3,541 2,542 15,545 3,547 2,548 2,550 1.619,551 2.136,552 3.451,553 1.062,554 1,555 1,557 1,559 65.094,560 1.447,561 3.22,562 4.381,563 5.047,564 5.136,565 5.136,566 2.915,567 4.107,568 4.366,569 3.632,570 762.73,571 7.413,572 8858.5,574 1,576 1,577 247.133,578 0.702,579 4.371,580 0.109,581 0.003,582 0.046,583 0.021,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.248,591 0.67,592 1,594 99.051,595 -0.047,596 -0.177,597 0.061,598 -0.055,599 0.006,600 0.01,601 0.02,602 0.045,603 -0.084,604 -0.115,605 0.032,606 -0.112,607 -0.076,608 0.013,609 -0.04,610 0.008,611 -0.072,612 -0.008,613 -0.168,614 0.074,615 -0.145,616 -0.013,617 -0.187,618 -0.068,619 -0.078,620 -0.091,621 -0.076,622 -0.072,623 -0.087,624 -0.075,625 0.061,626 0.026,627 0.01,628 -0.018,629 0.059,630 -0.015,631 0.079,632 -0.07,633 0.048,634 0.002,635 0.053,636 0.017,637 -0.11,638 0.083,639 -0.01,640 0.072,641 -0.145,642 0.052,643 1.034,644 2.513,645 0.714,646 18.83,647 0.99,648 1.141,649 1.85,650 3.423,651 0.624,652 3.178,653 3.401,654 3.611,655 3.807,656 3.912,657 3.85,658 3.871,659 3.892,660 3.912,661 3.689,662 6.745,663 0.579,664 288.44,665 3.178,666 4.654,667 5.46,668 6.282,669 7.102,670 7.932,671 8.759,672 9.592,673 10.423,674 11.259,675 8.9,677 3,684 1,688 4,693 2,695 6,712 1,714 45,716 7,717 1,718 23,720 47,721 16,722 6,723 2,724 4,730 3,731 4,734 1,740 3,743 4,745 7,746 9,750 1,758 1,759 1,760 1,761 1,764 24,765 5,766 3,767 5,773 4,777 0.667,778 1,792 1,793 2,797 1,814 3,819 2,827 21,833 8,834 3,835 1,837 1,847 2.2,852 1,854 9.833,855 7.533,856 4.778,857 2.893,858 1.34,859 1.203,860 0.976,861 5.353,862 7.949,863 3.332,864 3.75,865 4.155,866 4.553,867 4.889,868 4.807,869 4.946,870 5.11,871 5.24,872 4.84,873 1,874 25,875 7.795,877 3.197,878 7.421,879 15.559,881 12.75,883 1.921,884 40.333,885 0.002,888 247.193,889 66.365,890 70.818,892 11,895 66.365,896 258.193,897 70.818,899 18.132,900 91.937,902 36.214,903 1.899,904 247.193,906 247.193,907 137.183,908 11,911 200.109,912 58.084,915 88.95,916 48.233,919 247.193,920 81.818,921 66.365,924 247.193,925 28.46,926 37.905,927 54.032,928 27.785,929 247.193,930 81.818,931 66.365,933 0.553,934 0.312,935 0.17,936 0.083,937 13,938 4,939 0.149,940 7,941 1,942 1.133,943 3.684,944 144.981,945 0.133,946 15,947 92.239,951 14.668,952 7.664,953 4.351,955 81.818,956 8.35,961 2.394,963 54.032,964 395.376,965 27,973 4.302,974 0.947,975 44.571,976 51.355,977 0.263,978 0.586,979 0.798,980 0.919,981 0.935,982 0.935,983 4.527,984 0.957,985 5.361,986 2.784,987 4.078,988 4.431,989 1.778,990 6.038,991 3.971,992 5.621,993 0.686,994 6.821,995 2.055,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.043,1001 6.854,1002 0.618,1003 8.382,1004 1.569,1005 5.525,1006 6.363,1007 1.751,1008 9.722,1009 5.31,1010 8.122,1011 0.28,1012 10.01,1013 1.372,1014 5.602,1015 6.7,1016 1.178,1017 11.246,1018 5.308,1019 9.43,1020 -0.284,1021 11.682,1022 0.623,1023 7.238,1024 8.627,1025 1.914,1026 13.772,1027 6.919,1028 10.765,1029 -0.618,1030 13.387,1031 -0.664,1032 7.787,1033 9.414,1034 1.663,1035 15.679,1036 7.399,1037 12.12,1038 -0.661,1039 15.114,1040 -1.487,1041 9.112,1042 11.072,1043 2.184,1044 18.01,1045 8.7,1046 2.923,1047 -1.055,1048 16.858,1049 -1.606,1050 9.908,1051 12.093,1052 2.128,1053 20.085,1054 9.438,1055 2.542,1056 9.226,1057 18.615,1058 -2.557,1059 11.087,1060 13.615,1061 2.527,1062 22.345,1063 10.591,1064 2.303,1065 6.997,1066 20.382,1067 3.815,1068 12.011,1069 14.764,1070 2.589,1071 24.497,1072 11.466,1073 1.746,1074 6.678,1075 22.157,1076 3.112,1077 13.123,1078 16.211,1079 2.917,1080 26.731,1081 12.549,1082 1.618,1083 4.371,1084 23.939,1085 2.443,1086 14.113,1087 17.433,1088 3.051,1089 28.919,1090 13.496,1091 1.428,1092 3.565,1093 25.726,1094 2.077,1095 15.195,1096 18.838,1097 3.338,1098 31.144,1099 14.547,1100 1.312,1101 3.029,1102 27.518,1103 1.988,1104 16.22,1105 20.104,1106 3.513,1107 33.349,1108 15.533,1109 5319,1110 7754,1111 16.178,1112 28.091,1113 32.903,1114 33.235,1115 32.774,1116 32.814,1117 32.827,1118 38.517,1119 6.093,1120 84.537,1121 31.083,1122 5.203,1123 5.256,1124 6.013,1125 4.979,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.805,1132 1.431,1133 1.445,1134 1.425,1135 1.427,1136 1.427,1137 1.675,1138 0.265,1139 3.676,1140 1.351,1141 3.984,1142 4.012,1143 3.914,1144 3.896,1145 4.863,1146 3.896,1147 3.821,1148 3.9,1149 3.728,1150 3.598,1151 4.779,1152 3.616,1153 3.667,1154 3.742,1155 3.532,1156 3.49,1157 4.387,1158 3.492,1159 3.511,1160 3.577,1161 3.353,1162 3.368,1163 4.193,1164 3.355,1165 3.234,1166 3.33,1167 3.05,1168 3.029,1169 3.925,1170 3.021,1171 3.007,1172 3.09,1173 2.845,1174 2.791,1175 3.819,1176 2.793,1177 2.848,1178 2.916,1179 2.689,1180 2.686,1181 3.528,1182 2.677,1183 2.682,1184 2.764,1185 2.503,1186 2.512,1187 3.43,1188 2.5,1189 0.184,1190 0.142,1191 0.269,1192 0.169,1193 0.127,1194 4.228,1195 0.166,1196 3.256,1197 0.055,1198 6.183,1199 0.401,1200 3.882,1201 0.122,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.063,1211 1.35,1212 2.068,1213 1.692,1214 1.621,1215 1.926,1216 1.908,1217 1.21,1218 1.918,1219 1.553,1220 1.492,1221 1.783,1222 1.748,1223 1.004,1224 1.756,1225 1.445,1226 1.361,1227 1.73,1228 1.681,1229 0.996,1230 1.704,1231 1.32,1232 1.232,1233 1.556,1234 1.595,1235 0.752,1236 1.592,1237 1.153,1238 1.074,1239 1.412,1240 1.403,1241 0.561,1242 1.422,1243 0.903,1244 0.833,1245 1.218,1246 1.176,1247 0.345,1248 1.196,1249 0.797,1250 0.712,1251 1.125,1252 1.029,1253 0.239,1254 1.063,1255 3.85,1257 5.094,1258 2.398,1259 6.526,1260 4.443,1261 8.054,1262 6.26,1263 9.637,1271 8.035,1272 9.994,1273 6.013,1275 0.3,1280 26.068,1281 65.094,1282 144.892,1283 197.133,1284 227.133,1285 231.133,1286 231.133,1287 25.944,1288 6.609,1289 57.68,1290 57.68,1291 17,1292 11.829,1293 3,1294 2.322,1295 32.691,1296 86,1297 68,1298 0.18,1299 161.532,1300 279.61,1301 385.897,1302 6858,1304 14.33,1305 0.682,1306 0.59,1307 14.33,1308 12.399,1309 10.416,1310 0.453,1311 0.343,1312 7.779,1313 10.013,1314 7.673,1315 6.325,1316 10.416,1317 7.891,1318 8.626,1319 0.297,1320 0.191,1321 8.626,1322 5.528,1323 7.098,1324 0.197,1325 0.108,1326 7.098,1327 3.871,1328 5.751,1329 0.131,1330 0.062,1331 5.751,1332 2.724,1333 4.226,1334 0.086,1335 0.037,1336 4.226,1337 1.789,1338 0.298,1339 65.174,1340 0.249,1341 21.826,1342 0.453,1343 104,1344 256.379,1345 114.924,1346 244.62,1347 341.05,1348 234,1349 117,1350 251.983,1351 127.897,1352 250.68,1353 365.96,1354 239,1355 8.2} {0 CHEMBL88212,1 1.425,2 11.864,3 1.757,4 3.088,5 88.509,6 6.301,7 0.25,8 3.949,9 4.098,10 3.375,11 3.414,12 4.847,13 3.372,14 4.542,15 4.755,16 3.662,17 3.806,18 5.392,19 3.72,20 4.835,21 5.11,22 3.635,23 3.901,24 5.579,25 3.769,26 4.753,27 5.039,28 3.399,29 3.782,30 5.464,31 3.624,32 4.643,33 4.938,34 3.238,35 3.692,36 5.284,37 3.508,38 4.588,39 4.896,40 3.142,41 3.606,42 5.216,43 3.406,44 4.496,45 4.808,46 3.07,47 3.498,48 5.123,49 3.305,50 4.378,51 4.689,52 2.987,53 3.391,54 5.025,55 3.217,56 0.061,57 0.712,58 12.036,59 4.237,60 6.628,61 6.488,62 0.254,63 1.108,64 22.089,65 7.234,66 19.206,67 11.029,68 0.373,69 1.257,70 29.477,71 8.697,72 27.635,73 13.93,74 0.36,75 1.135,76 27.13,77 7.782,78 26.119,79 12.608,80 0.238,81 1.014,82 23.811,83 7.555,84 18.858,85 12.014,86 0.256,87 0.935,88 22.453,89 7.358,90 19.302,91 11.479,92 0.244,93 0.844,94 20.494,95 6.407,96 16.989,97 10.301,98 0.195,99 0.766,100 18.272,101 5.353,102 15.224,103 8.858,105 30,106 0.248,107 0.55,108 0.755,109 0.869,110 0.898,111 0.905,112 3.144,113 1.049,114 -3.32,115 -3.31,116 -3.17,119 35.4,121 4,125 5,127 1,140 4,141 1,142 1,157 1,169 6,172 4,174 2,175 1,176 3,178 6,182 3,184 1,186 1,189 5,193 2,196 1,197 3,199 3,203 1,208 2,211 2,218 1,219 1,220 2,222 2,229 1,231 2,233 2,242 2,244 2,248 1,249 1,252 1,254 3,256 1,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 14.43,266 24.585,267 9.798,268 15.85,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 10.373,275 32.884,276 4.74,277 12.561,278 4.16,279 2.421,280 1.24,281 0.583,282 0.417,283 0.375,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 13.779,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 47,315 261,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 1.263,323 9.226,324 2.805,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.388,335 2.555,336 5.257,337 3.259,338 2.303,339 2.443,340 0.4,341 6.678,342 2.189,343 2.928,344 1.999,345 4.415,346 2.715,347 1.755,348 2.077,349 0.277,350 4.371,351 1.683,352 2.866,353 1.898,354 3.819,355 2.59,356 1.618,357 1.988,358 0.247,359 3.579,360 1.568,361 2.743,362 1.691,363 3.631,364 2.451,365 1.492,366 1.748,368 3.117,369 1.427,370 2.505,371 1.478,372 3.584,373 2.385,374 1.401,375 1.497,377 2.988,378 1.373,379 2.158,380 1.401,381 3.266,382 1.987,383 1.046,384 1.103,386 2.227,387 0.981,388 2.037,389 1.291,390 3.247,391 1.917,392 1,393 1.027,395 2.136,396 0.916,397 1.882,398 0.805,399 3.136,400 1.667,401 0.695,402 0.803,404 1.589,405 0.673,406 1.399,407 0.618,408 2.755,409 1.266,410 0.335,411 0.349,413 0.747,414 0.311,415 0.896,416 0.014,417 2.338,418 0.716,419 -0.225,420 -0.238,422 -0.524,423 -0.211,424 0.69,425 -0.267,426 2.131,427 0.387,428 -0.555,429 -0.591,431 -1.23,432 -0.518,433 0.569,434 -0.334,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.596,441 -0.596,442 0.298,443 -0.567,444 1.773,445 0.045,446 -0.888,447 -0.932,449 -1.918,450 -0.825,451 10.433,452 0.474,453 0.256,454 0.012,455 22.5,456 1.023,457 8,458 0.364,459 14.5,460 0.659,461 19.261,462 0.875,463 25.567,464 0.533,465 12.994,466 0.591,467 4.287,468 0.195,469 6.629,470 0.301,473 0.192,479 1.032,480 1.524,481 0.977,482 1.269,483 0.944,484 1.132,485 1.16,486 1.155,487 1.121,488 1.197,489 1.077,490 1.158,491 1.34,492 0.997,493 1.023,494 0.951,495 1.226,496 0.953,497 1.449,498 0.904,499 1.167,500 0.944,501 1.374,502 1.01,503 1.011,504 1.001,505 1.045,506 1.019,507 1.002,508 1.034,509 0.761,510 0.898,511 0.955,512 0.989,513 0.776,514 0.997,515 0.774,516 0.963,517 0.906,518 0.943,519 0.781,520 0.943,521 0.995,522 0.904,523 0.968,524 0.878,525 1.033,526 0.904,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 12894,539 2.153,540 54.2,541 2,542 15,545 3,547 2,548 4,550 1.632,551 2.129,552 3.537,553 1.024,554 1,555 1,559 68.38,560 1.425,561 3.164,562 4.345,563 5.002,564 5.168,565 5.21,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,576 1,577 268.078,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.5,592 1,594 105.786,595 -0.037,596 -0.168,597 0.061,598 -0.052,599 0.02,600 0.009,601 0.03,602 0.029,603 -0.087,604 -0.125,605 0.045,606 -0.12,607 -0.055,608 -0.018,609 -0.01,610 0.009,611 -0.047,612 0.006,613 -0.187,614 0.073,615 -0.155,616 -0.017,617 -0.215,618 -0.072,619 -0.099,620 -0.055,621 -0.081,622 -0.049,623 -0.106,624 -0.061,625 0.06,626 0.017,627 -0.004,628 -0.031,629 0.057,630 -0.029,631 0.084,632 -0.063,633 0.047,634 0.002,635 0.062,636 0.016,637 -0.086,638 0.031,639 0.002,640 0.043,641 -0.113,642 0.038,643 1.035,644 2.526,645 0.727,646 20,647 0.989,648 1.141,649 2.093,650 4.383,651 0.622,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.575,664 302.47,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 8.3,677 3,684 1,688 4,693 2,695 6,712 1,714 48,716 7,717 1,718 24,720 50,721 17,722 6,723 2,724 4,730 3,731 4,734 1,740 4,743 5,745 7,746 10,750 1,758 1,759 1,760 1,761 1,764 26,765 5,766 3,767 5,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,827 22,833 9,834 3,835 1,837 1,847 2.1,852 1,854 10.333,855 8.033,856 5.028,857 3.143,858 1.352,859 1.201,860 0.971,861 5.963,862 8.073,863 3.367,864 3.773,865 4.171,866 4.563,867 4.969,868 4.831,869 4.967,870 5.128,871 5.256,872 4.863,873 0.875,874 28,875 8.175,877 3.341,878 7.402,879 16.376,881 13.416,883 1.902,884 41.833,885 0.001,888 270.735,889 68.9,890 70.818,892 11,895 68.9,896 281.735,897 70.818,899 20.667,900 91.937,902 36.214,903 1.899,904 270.735,906 270.735,907 139.718,908 11,911 200.109,912 81.626,915 91.484,916 48.233,919 270.735,920 81.818,921 68.9,924 270.735,925 30.995,926 37.905,927 54.032,928 27.785,929 270.735,930 81.818,931 68.9,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.14,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 98.107,951 15.629,952 8.393,953 4.877,955 81.818,956 8.359,961 2.396,963 54.032,964 421.453,965 28,973 4.396,974 0.957,975 47.454,976 54.77,977 0.255,978 0.566,979 0.778,980 0.896,981 0.925,982 0.933,983 4.559,984 1.046,985 5.389,986 2.988,987 4.111,988 4.454,989 1.778,990 6.057,991 4.008,992 5.646,993 1,994 6.843,995 2.227,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.043,1001 6.874,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.374,1007 1.751,1008 9.728,1009 5.339,1010 8.134,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.275,1019 9.436,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.631,1025 1.914,1026 13.773,1027 6.939,1028 10.765,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.37,1037 12.116,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.071,1043 2.184,1044 18.008,1045 8.71,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.418,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.612,1061 2.527,1062 22.343,1063 10.594,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.453,1073 1.755,1074 6.678,1075 22.154,1076 3.091,1077 13.114,1078 16.207,1079 2.917,1080 26.73,1081 12.548,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.487,1091 1.492,1092 3.579,1093 25.723,1094 2.077,1095 15.185,1096 18.834,1097 3.338,1098 31.143,1099 14.545,1100 1.401,1101 3.117,1102 27.515,1103 1.988,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 15.527,1109 6065,1110 8667,1111 16.871,1112 29.853,1113 34.288,1114 34.479,1115 34.265,1116 34.199,1117 34.181,1118 39.884,1119 6.093,1120 87.247,1121 32.433,1122 5.2,1123 5.256,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.805,1132 1.429,1133 1.437,1134 1.428,1135 1.425,1136 1.424,1137 1.662,1138 0.254,1139 3.635,1140 1.351,1141 3.984,1142 4.013,1143 3.914,1144 3.896,1145 4.862,1146 3.896,1147 3.826,1148 3.903,1149 3.725,1150 3.619,1151 4.75,1152 3.632,1153 3.675,1154 3.749,1155 3.536,1156 3.507,1157 4.387,1158 3.504,1159 3.521,1160 3.586,1161 3.364,1162 3.382,1163 4.193,1164 3.368,1165 3.259,1166 3.354,1167 3.085,1168 3.045,1169 3.949,1170 3.042,1171 3.061,1172 3.143,1173 2.897,1174 2.856,1175 3.819,1176 2.861,1177 2.924,1178 3.043,1179 2.749,1180 2.716,1181 3.739,1182 2.713,1183 2.887,1184 2.954,1185 2.7,1186 2.645,1187 3.535,1188 2.639,1189 0.176,1190 0.136,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.256,1197 0.053,1198 6.183,1199 0.384,1200 3.882,1201 0.117,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.757,1214 1.683,1215 1.966,1216 1.992,1217 1.232,1218 1.987,1219 1.661,1220 1.592,1221 1.901,1222 1.865,1223 1.193,1224 1.882,1225 1.533,1226 1.471,1227 1.778,1228 1.706,1229 0.996,1230 1.733,1231 1.238,1232 1.15,1233 1.535,1234 1.499,1235 0.749,1236 1.519,1237 1.039,1238 0.958,1239 1.336,1240 1.294,1241 0.539,1242 1.318,1243 0.904,1244 0.804,1245 1.285,1246 1.223,1247 0.492,1248 1.25,1249 0.864,1250 0.787,1251 1.144,1252 1.104,1253 0.251,1254 1.118,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 9.293,1272 10.109,1273 6.026,1275 0.298,1280 27.595,1281 68.38,1282 151.858,1283 208.568,1284 240.078,1285 248.078,1286 250.078,1287 28.611,1288 6.72,1289 57.68,1290 57.68,1291 18,1292 11.843,1293 3,1294 2.322,1295 35.009,1296 95,1297 78,1298 0.175,1299 171.124,1300 296.91,1301 409.302,1302 8086,1304 15.037,1305 0.684,1306 0.596,1307 15.037,1308 13.106,1309 10.916,1310 0.455,1311 0.35,1312 8.279,1313 10.512,1314 8.163,1315 6.74,1316 10.916,1317 8.391,1318 8.979,1319 0.299,1320 0.196,1321 8.979,1322 5.881,1323 7.348,1324 0.199,1325 0.111,1326 7.348,1327 4.094,1328 5.928,1329 0.132,1330 0.064,1331 5.928,1332 2.858,1333 4.838,1334 0.088,1335 0.037,1336 4.838,1337 2.054,1338 0.291,1339 68.174,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 260.379,1345 118.924,1346 248.782,1347 346.81,1348 238,1349 121,1350 255.983,1351 131.869,1352 254.839,1353 371.66,1354 243,1355 7.8} {0 CHEMBL88240,1 1.425,2 11.864,3 1.757,4 3.088,5 88.509,6 6.301,7 0.25,8 3.949,9 4.098,10 3.375,11 3.414,12 4.847,13 3.372,14 4.542,15 4.755,16 3.662,17 3.806,18 5.392,19 3.72,20 4.835,21 5.11,22 3.635,23 3.901,24 5.579,25 3.769,26 4.753,27 5.039,28 3.399,29 3.782,30 5.464,31 3.624,32 4.643,33 4.938,34 3.238,35 3.692,36 5.284,37 3.508,38 4.588,39 4.896,40 3.142,41 3.606,42 5.216,43 3.406,44 4.496,45 4.808,46 3.07,47 3.498,48 5.123,49 3.305,50 4.378,51 4.689,52 2.987,53 3.391,54 5.025,55 3.217,56 0.061,57 0.712,58 12.036,59 4.237,60 6.628,61 6.488,62 0.254,63 1.108,64 22.089,65 7.234,66 19.206,67 11.029,68 0.373,69 1.257,70 29.477,71 8.697,72 27.635,73 13.93,74 0.36,75 1.135,76 27.13,77 7.782,78 26.119,79 12.608,80 0.238,81 1.014,82 23.811,83 7.555,84 18.858,85 12.014,86 0.256,87 0.935,88 22.453,89 7.358,90 19.302,91 11.479,92 0.244,93 0.844,94 20.494,95 6.407,96 16.989,97 10.301,98 0.195,99 0.766,100 18.272,101 5.353,102 15.224,103 8.858,105 30,106 0.248,107 0.55,108 0.755,109 0.869,110 0.898,111 0.905,112 3.144,113 1.049,114 -3.32,115 -3.31,116 -3.17,119 35.4,121 4,125 5,127 1,140 4,141 1,142 1,157 1,169 6,172 4,174 2,175 1,176 3,178 6,182 3,184 1,186 1,189 5,193 2,196 1,197 3,199 3,203 1,208 2,211 2,218 1,219 1,220 2,222 2,229 1,231 2,233 2,242 2,244 2,248 1,249 1,252 1,254 3,256 1,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 14.43,266 24.585,267 9.798,268 15.85,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 10.373,275 32.884,276 4.74,277 12.561,278 4.16,279 2.421,280 1.24,281 0.583,282 0.417,283 0.375,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 13.779,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 47,315 261,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 1.263,323 9.226,324 2.805,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.388,335 2.555,336 5.257,337 3.259,338 2.303,339 2.443,340 0.4,341 6.678,342 2.189,343 2.928,344 1.999,345 4.415,346 2.715,347 1.755,348 2.077,349 0.277,350 4.371,351 1.683,352 2.866,353 1.898,354 3.819,355 2.59,356 1.618,357 1.988,358 0.247,359 3.579,360 1.568,361 2.743,362 1.691,363 3.631,364 2.451,365 1.492,366 1.748,368 3.117,369 1.427,370 2.505,371 1.478,372 3.584,373 2.385,374 1.401,375 1.497,377 2.988,378 1.373,379 2.158,380 1.401,381 3.266,382 1.987,383 1.046,384 1.103,386 2.227,387 0.981,388 2.037,389 1.291,390 3.247,391 1.917,392 1,393 1.027,395 2.136,396 0.916,397 1.882,398 0.805,399 3.136,400 1.667,401 0.695,402 0.803,404 1.589,405 0.673,406 1.399,407 0.618,408 2.755,409 1.266,410 0.335,411 0.349,413 0.747,414 0.311,415 0.896,416 0.014,417 2.338,418 0.716,419 -0.225,420 -0.238,422 -0.524,423 -0.211,424 0.69,425 -0.267,426 2.131,427 0.387,428 -0.555,429 -0.591,431 -1.23,432 -0.518,433 0.569,434 -0.334,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.596,441 -0.596,442 0.298,443 -0.567,444 1.773,445 0.045,446 -0.888,447 -0.932,449 -1.918,450 -0.825,451 10.433,452 0.474,453 0.256,454 0.012,455 22.5,456 1.023,457 8,458 0.364,459 14.5,460 0.659,461 19.261,462 0.875,463 25.567,464 0.533,465 12.994,466 0.591,467 4.287,468 0.195,469 6.629,470 0.301,473 0.192,479 1.032,480 1.524,481 0.977,482 1.269,483 0.944,484 1.132,485 1.16,486 1.155,487 1.121,488 1.197,489 1.077,490 1.158,491 1.34,492 0.997,493 1.023,494 0.951,495 1.226,496 0.953,497 1.449,498 0.904,499 1.167,500 0.944,501 1.374,502 1.01,503 1.011,504 1.001,505 1.045,506 1.019,507 1.002,508 1.034,509 0.761,510 0.898,511 0.955,512 0.989,513 0.776,514 0.997,515 0.774,516 0.963,517 0.906,518 0.943,519 0.781,520 0.943,521 0.995,522 0.904,523 0.968,524 0.878,525 1.033,526 0.904,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 12894,539 2.153,540 54.2,541 2,542 15,545 3,547 2,548 4,550 1.632,551 2.129,552 3.537,553 1.024,554 1,555 1,559 68.38,560 1.425,561 3.164,562 4.345,563 5.002,564 5.168,565 5.21,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,576 1,577 268.078,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.5,592 1,594 105.786,595 -0.037,596 -0.168,597 0.061,598 -0.052,599 0.02,600 0.009,601 0.03,602 0.029,603 -0.087,604 -0.125,605 0.045,606 -0.12,607 -0.055,608 -0.018,609 -0.01,610 0.009,611 -0.047,612 0.006,613 -0.187,614 0.073,615 -0.155,616 -0.017,617 -0.215,618 -0.072,619 -0.099,620 -0.055,621 -0.081,622 -0.049,623 -0.106,624 -0.061,625 0.06,626 0.017,627 -0.004,628 -0.031,629 0.057,630 -0.029,631 0.084,632 -0.063,633 0.047,634 0.002,635 0.062,636 0.016,637 -0.086,638 0.031,639 0.002,640 0.043,641 -0.113,642 0.038,643 1.035,644 2.526,645 0.727,646 20,647 0.989,648 1.141,649 2.093,650 4.383,651 0.622,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.575,664 302.47,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 8.3,677 3,684 1,688 4,693 2,695 6,712 1,714 48,716 7,717 1,718 24,720 50,721 17,722 6,723 2,724 4,730 3,731 4,734 1,740 4,743 5,745 7,746 10,750 1,758 1,759 1,760 1,761 1,764 26,765 5,766 3,767 5,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,827 22,833 9,834 3,835 1,837 1,847 2.1,852 1,854 10.333,855 8.033,856 5.028,857 3.143,858 1.352,859 1.201,860 0.971,861 5.963,862 8.073,863 3.367,864 3.773,865 4.171,866 4.563,867 4.969,868 4.831,869 4.967,870 5.128,871 5.256,872 4.863,873 0.875,874 28,875 8.175,877 3.341,878 7.402,879 16.376,881 13.416,883 1.902,884 41.833,885 0.001,888 270.735,889 68.9,890 70.818,892 11,895 68.9,896 281.735,897 70.818,899 20.667,900 91.937,902 36.214,903 1.899,904 270.735,906 270.735,907 139.718,908 11,911 200.109,912 81.626,915 91.484,916 48.233,919 270.735,920 81.818,921 68.9,924 270.735,925 30.995,926 37.905,927 54.032,928 27.785,929 270.735,930 81.818,931 68.9,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.14,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 98.107,951 15.629,952 8.393,953 4.877,955 81.818,956 8.359,961 2.396,963 54.032,964 421.453,965 28,973 4.396,974 0.957,975 47.454,976 54.77,977 0.255,978 0.566,979 0.778,980 0.896,981 0.925,982 0.933,983 4.559,984 1.046,985 5.389,986 2.988,987 4.111,988 4.454,989 1.778,990 6.057,991 4.008,992 5.646,993 1,994 6.843,995 2.227,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.043,1001 6.874,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.374,1007 1.751,1008 9.728,1009 5.339,1010 8.134,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.275,1019 9.436,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.631,1025 1.914,1026 13.773,1027 6.939,1028 10.765,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.37,1037 12.116,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.071,1043 2.184,1044 18.008,1045 8.71,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.418,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.612,1061 2.527,1062 22.343,1063 10.594,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.453,1073 1.755,1074 6.678,1075 22.154,1076 3.091,1077 13.114,1078 16.207,1079 2.917,1080 26.73,1081 12.548,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.487,1091 1.492,1092 3.579,1093 25.723,1094 2.077,1095 15.185,1096 18.834,1097 3.338,1098 31.143,1099 14.545,1100 1.401,1101 3.117,1102 27.515,1103 1.988,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 15.527,1109 6065,1110 8667,1111 16.871,1112 29.853,1113 34.288,1114 34.479,1115 34.265,1116 34.199,1117 34.181,1118 39.884,1119 6.093,1120 87.247,1121 32.433,1122 5.2,1123 5.256,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.805,1132 1.429,1133 1.437,1134 1.428,1135 1.425,1136 1.424,1137 1.662,1138 0.254,1139 3.635,1140 1.351,1141 3.984,1142 4.013,1143 3.914,1144 3.896,1145 4.862,1146 3.896,1147 3.826,1148 3.903,1149 3.725,1150 3.619,1151 4.75,1152 3.632,1153 3.675,1154 3.749,1155 3.536,1156 3.507,1157 4.387,1158 3.504,1159 3.521,1160 3.586,1161 3.364,1162 3.382,1163 4.193,1164 3.368,1165 3.259,1166 3.354,1167 3.085,1168 3.045,1169 3.949,1170 3.042,1171 3.061,1172 3.143,1173 2.897,1174 2.856,1175 3.819,1176 2.861,1177 2.924,1178 3.043,1179 2.749,1180 2.716,1181 3.739,1182 2.713,1183 2.887,1184 2.954,1185 2.7,1186 2.645,1187 3.535,1188 2.639,1189 0.176,1190 0.136,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.256,1197 0.053,1198 6.183,1199 0.384,1200 3.882,1201 0.117,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.757,1214 1.683,1215 1.966,1216 1.992,1217 1.232,1218 1.987,1219 1.661,1220 1.592,1221 1.901,1222 1.865,1223 1.193,1224 1.882,1225 1.533,1226 1.471,1227 1.778,1228 1.706,1229 0.996,1230 1.733,1231 1.238,1232 1.15,1233 1.535,1234 1.499,1235 0.749,1236 1.519,1237 1.039,1238 0.958,1239 1.336,1240 1.294,1241 0.539,1242 1.318,1243 0.904,1244 0.804,1245 1.285,1246 1.223,1247 0.492,1248 1.25,1249 0.864,1250 0.787,1251 1.144,1252 1.104,1253 0.251,1254 1.118,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 9.293,1272 10.109,1273 6.026,1275 0.298,1280 27.595,1281 68.38,1282 151.858,1283 208.568,1284 240.078,1285 248.078,1286 250.078,1287 28.611,1288 6.72,1289 57.68,1290 57.68,1291 18,1292 11.843,1293 3,1294 2.322,1295 35.009,1296 95,1297 78,1298 0.175,1299 171.124,1300 296.91,1301 409.302,1302 8086,1304 15.037,1305 0.684,1306 0.596,1307 15.037,1308 13.106,1309 10.916,1310 0.455,1311 0.35,1312 8.279,1313 10.512,1314 8.163,1315 6.74,1316 10.916,1317 8.391,1318 8.979,1319 0.299,1320 0.196,1321 8.979,1322 5.881,1323 7.348,1324 0.199,1325 0.111,1326 7.348,1327 4.094,1328 5.928,1329 0.132,1330 0.064,1331 5.928,1332 2.858,1333 4.838,1334 0.088,1335 0.037,1336 4.838,1337 2.054,1338 0.291,1339 68.174,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 260.379,1345 118.924,1346 248.782,1347 346.81,1348 238,1349 121,1350 255.983,1351 131.869,1352 254.839,1353 371.66,1354 243,1355 8.727} {0 CHEMBL88283,1 1.476,2 12.083,3 1.741,4 3.03,5 94.972,6 6.394,7 0.231,8 4.033,9 4.175,10 3.468,11 3.467,12 4.963,13 3.437,14 4.625,15 4.836,16 3.756,17 3.851,18 5.492,19 3.782,20 4.885,21 5.144,22 3.794,23 3.966,24 5.689,25 3.86,26 4.847,27 5.112,28 3.63,29 3.897,30 5.619,31 3.773,32 4.805,33 5.074,34 3.477,35 3.85,36 5.516,37 3.698,38 4.763,39 5.049,40 3.338,41 3.792,42 5.443,43 3.6,44 4.715,45 5.032,46 3.219,47 3.672,48 5.332,49 3.467,50 4.571,51 4.891,52 3.124,53 3.517,54 5.216,55 3.344,56 0.052,57 0.752,58 13.022,59 4.598,60 7.86,61 6.891,62 0.303,63 1.151,64 24.16,65 7.64,66 22.247,67 11.501,68 0.493,69 1.318,70 31.366,71 9.136,72 33.665,73 14.464,74 0.398,75 1.241,76 30.147,77 8.634,78 30.982,79 13.683,80 0.371,81 1.159,82 28.683,83 8.733,84 26.576,85 13.541,86 0.381,87 1.102,88 27.208,89 8.856,90 26.862,91 13.594,92 0.304,93 1.002,94 25.755,95 7.874,96 22.01,97 12.719,98 0.293,99 0.869,100 22.551,101 6.164,102 21.088,103 10.312,104 3,105 33,106 0.252,107 0.543,108 0.779,109 0.872,110 0.892,111 0.898,112 3.227,113 1.029,114 -3.06,115 -3.06,116 -2.94,119 34.6,121 4,124 1,125 5,127 1,140 3,141 1,142 2,157 1,169 5,172 4,174 2,175 1,176 3,178 4,181 1,182 5,184 1,186 1,189 3,193 4,196 1,197 3,199 2,203 2,208 1,211 2,218 2,219 1,220 2,222 2,229 1,231 2,233 1,237 1,242 2,244 2,248 1,249 1,252 1,254 2,256 1,259 848,260 16.836,261 16.836,262 16.836,263 16.836,264 16.836,265 15.8,266 27.505,267 10.48,268 17.386,269 12.825,270 12.825,271 12.825,272 12.825,273 12.825,274 11.187,275 36.259,276 4.944,277 13.638,278 4.224,279 2.522,280 1.135,281 0.591,282 0.476,283 0.438,284 3.918,287 1,288 1,289 1,290 625,291 3.082,295 223.068,299 114.591,302 1.833,303 17.356,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 52,315 290,316 4.386,317 3.393,318 6.524,319 4.013,320 3.061,321 4.028,322 1.263,323 10.276,324 2.913,325 3.842,326 3.043,327 5.34,328 3.431,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.467,335 2.703,336 5.318,337 3.325,338 2.381,339 2.64,340 0.86,341 6.841,342 2.239,343 3.301,344 2.414,345 5.149,346 3.001,347 2.044,348 2.42,349 0.4,350 6.074,351 1.946,352 2.868,353 1.978,354 4.127,355 2.713,356 1.754,357 1.997,358 0.277,359 3.638,360 1.679,361 2.743,362 1.752,363 3.815,364 2.452,365 1.495,366 1.749,367 0.247,368 3.496,369 1.427,370 2.505,371 1.638,372 3.6,373 2.39,374 1.417,375 1.497,377 3.086,378 1.375,379 2.161,380 1.407,381 3.424,382 2.016,383 1.071,384 1.117,386 2.352,387 1.007,388 2.101,389 1.372,390 3.247,391 1.917,392 1,393 1.07,395 2.16,396 0.916,397 2.025,398 1.29,399 3.24,400 1.91,401 1,402 1.019,404 2.136,405 0.901,406 1.615,407 0.825,408 2.823,409 1.396,410 0.478,411 0.524,413 0.936,414 0.435,415 1.376,416 0.625,417 2.684,418 1.208,419 0.299,420 0.316,422 0.552,423 0.27,424 0.907,425 0.089,426 2.404,427 0.723,428 -0.207,429 -0.218,431 -0.45,432 -0.191,433 0.737,434 -0.168,435 2.279,436 0.435,437 -0.501,438 -0.538,440 -1.061,441 -0.463,442 0.576,443 -0.309,444 2.094,445 0.369,446 -0.592,447 -0.699,449 -1.409,450 -0.568,451 11.267,452 0.469,453 0.307,454 0.013,455 24.5,456 1.021,457 8.5,458 0.354,459 16,460 0.667,461 22.001,462 0.917,463 28.333,464 0.545,465 15.414,466 0.642,467 4.787,468 0.199,469 7.078,470 0.295,471 0.044,473 0.222,479 0.993,480 1.585,481 0.954,482 1.34,483 0.907,484 1.16,485 1.244,486 1.099,487 1.082,488 1.116,489 1.131,490 1.08,491 1.099,492 1.025,493 0.976,494 0.971,495 1.037,496 0.954,497 1.323,498 0.973,499 1.135,500 1.01,501 1.266,502 1.033,503 1.328,504 0.999,505 1.143,506 1.021,507 1.281,508 1.059,509 0.823,510 0.986,511 1.065,512 1.1,513 0.875,514 1.125,515 0.647,516 0.985,517 0.872,518 0.967,519 0.678,520 0.955,521 0.983,522 0.793,523 0.921,524 0.764,525 1.001,526 0.811,527 3,528 0.037,529 1.778,530 0.813,531 0.938,532 0.417,533 0.221,534 0.099,535 0.123,536 0.077,537 7730,538 16524,539 2.114,540 53.8,541 2,542 17,545 3,547 2,548 4,550 1.659,551 2.057,552 3.545,553 0.998,554 1,555 1,559 76.758,560 1.476,561 3.179,562 4.565,563 5.109,564 5.224,565 5.263,566 2.924,567 3.918,568 4.558,569 3.738,570 1031.61,571 7.811,572 13247.2,574 1,576 1,577 296.423,578 0.974,579 4.551,580 0.115,581 0.002,582 0.054,583 0.025,584 0.035,585 0.018,586 0.012,587 0.006,588 0.008,589 0.005,590 0.279,591 0.33,592 1,593 0.573,594 118.389,595 -0.039,596 -0.211,597 0.065,598 -0.098,599 0.032,600 -0.011,601 -0.044,602 0.074,603 -0.049,604 -0.047,605 -0.001,606 -0.049,607 0.063,608 -0.009,609 0.035,610 0.013,611 0.073,612 0.024,613 -0.151,614 0.043,615 -0.122,616 -0.049,617 -0.15,618 -0.072,619 -0.186,620 -0.033,621 -0.147,622 -0.036,623 -0.212,624 -0.082,625 0.037,626 -0.036,627 -0.11,628 -0.109,629 -0.003,630 -0.135,631 0.075,632 -0.102,633 0.063,634 -0.025,635 0.075,636 0.009,637 -0.09,638 0.108,639 0.048,640 0.122,641 -0.1,642 0.113,643 1.119,644 2.623,645 0.667,646 23.778,647 0.994,648 1.142,649 1.827,650 3.338,651 0.617,652 3.296,653 3.526,654 3.761,655 3.97,656 4.174,657 4.094,658 4.127,659 4.127,660 4.159,661 4.025,662 7.268,663 0.574,664 332.5,665 3.296,666 4.779,667 5.595,668 6.428,669 7.262,670 8.105,671 8.948,672 9.796,673 10.645,674 11.498,675 7.7,677 3,684 1,688 3,693 3,695 6,712 2,714 52,716 7,717 1,718 26,720 54,721 18,722 6,723 3,724 3,730 3,731 4,734 1,740 4,743 5,745 7,746 11,750 1,758 1,759 1,760 1,761 1,764 28,765 6,766 3,767 6,773 4,777 0.667,778 2,793 3,797 1,814 3,819 2,823 1,827 24,833 9,834 3,835 2,837 1,847 3.8,852 2,854 11.667,855 9.117,856 5.556,857 3.303,858 1.398,859 1.201,860 0.956,861 6.756,862 8.337,863 3.434,864 3.861,865 4.301,866 4.722,867 5.134,868 5.113,869 5.243,870 5.335,871 5.492,872 5.278,873 0.875,874 33,875 8.906,877 3.62,878 7.458,879 17.685,881 14.308,883 1.958,884 47,885 0.001,888 294.278,889 75.55,890 70.818,892 22,895 75.55,896 316.277,897 70.818,898 10.883,899 20.667,900 82.461,902 52.458,903 1.899,904 294.278,906 294.278,907 146.368,908 22,911 223.651,912 92.626,915 91.484,916 54.883,919 294.278,920 92.818,921 75.55,924 294.278,925 36.238,926 39.312,927 54.032,928 38.785,929 294.278,930 92.818,931 75.55,933 0.551,934 0.321,935 0.177,936 0.097,937 14,938 5,939 0.148,940 8,941 1,942 1.125,943 3.879,944 176.555,945 0.125,946 16,947 108.039,951 17.522,952 9.254,953 5.097,955 92.818,956 6.107,961 2.999,963 54.032,964 462.645,965 30,973 4.401,974 0.945,975 51.665,976 59.394,977 0.259,978 0.558,979 0.801,980 0.896,981 0.916,982 0.923,983 4.64,984 1.071,985 5.509,986 3.086,987 4.205,988 4.543,989 2.001,990 6.225,991 4.086,992 5.744,993 1,994 6.997,995 2.352,996 3.434,997 4.086,998 0.623,999 6.952,1000 3.249,1001 6.992,1002 1,1003 8.59,1004 2.16,1005 5.687,1006 6.524,1007 1.925,1008 10.058,1009 5.454,1010 8.279,1011 0.478,1012 10.253,1013 2.136,1014 5.832,1015 7.005,1016 1.178,1017 11.721,1018 5.522,1019 9.608,1020 0.299,1021 11.964,1022 0.936,1023 7.452,1024 8.868,1025 2.027,1026 14.311,1027 7.109,1028 10.965,1029 -0.207,1030 13.71,1031 0.552,1032 8.069,1033 9.798,1034 1.663,1035 16.362,1036 7.655,1037 12.346,1038 -0.501,1039 15.481,1040 -0.45,1041 9.398,1042 11.418,1043 2.249,1044 18.783,1045 8.953,1046 3.061,1047 -0.592,1048 17.271,1049 -1.061,1050 10.262,1051 12.572,1052 2.128,1053 20.998,1054 9.756,1055 2.522,1056 10.276,1057 19.077,1058 -1.409,1059 11.46,1060 14.079,1061 2.561,1062 23.36,1063 10.919,1064 2.381,1065 6.965,1066 20.895,1067 4.028,1068 12.451,1069 15.347,1070 2.589,1071 25.643,1072 11.856,1073 2.044,1074 6.841,1075 22.723,1076 3.091,1077 13.594,1078 16.799,1079 2.935,1080 27.985,1081 12.96,1082 1.754,1083 6.074,1084 24.56,1085 2.64,1086 14.647,1087 18.125,1088 3.051,1089 30.295,1090 13.964,1091 1.495,1092 3.638,1093 26.403,1094 2.42,1095 15.769,1096 19.55,1097 3.346,1098 32.629,1099 15.044,1100 1.417,1101 3.496,1102 28.252,1103 1.997,1104 16.853,1105 20.907,1106 3.513,1107 34.95,1108 16.08,1109 7380,1110 10894,1111 17.97,1112 32.069,1113 37.089,1114 37.664,1115 37.659,1116 37.02,1117 37.042,1118 42.933,1119 7.813,1120 97.024,1121 34.803,1122 5.358,1123 5.393,1124 6.35,1125 5.114,1126 5.061,1127 7.028,1128 2.232,1129 17.034,1130 4.913,1131 6.48,1132 1.426,1133 1.449,1134 1.448,1135 1.424,1136 1.425,1137 1.651,1138 0.301,1139 3.732,1140 1.339,1141 3.993,1142 4.016,1143 3.934,1144 3.898,1145 4.928,1146 3.902,1147 3.826,1148 3.903,1149 3.725,1150 3.619,1151 4.751,1152 3.632,1153 3.678,1154 3.751,1155 3.542,1156 3.508,1157 4.503,1158 3.506,1159 3.531,1160 3.592,1161 3.376,1162 3.384,1163 4.321,1164 3.372,1165 3.297,1166 3.376,1167 3.132,1168 3.063,1169 4.19,1170 3.068,1171 3.21,1172 3.291,1173 3.03,1174 2.95,1175 3.948,1176 2.958,1177 3.039,1178 3.128,1179 2.848,1180 2.829,1181 3.739,1182 2.827,1183 2.924,1184 3.043,1185 2.703,1186 2.646,1187 3.73,1188 2.641,1189 0.169,1190 0.131,1191 0.251,1192 0.154,1193 0.118,1194 4.386,1195 0.155,1196 3.393,1197 0.049,1198 6.524,1199 0.395,1200 4.013,1201 0.112,1202 3.061,1203 4.028,1204 1.263,1205 10.276,1206 2.913,1207 1.944,1208 1.925,1209 2.067,1210 2.066,1211 1.351,1212 2.065,1213 1.757,1214 1.683,1215 1.966,1216 1.993,1217 1.232,1218 1.987,1219 1.661,1220 1.594,1221 1.9,1222 1.867,1223 1.193,1224 1.882,1225 1.534,1226 1.474,1227 1.772,1228 1.717,1229 0.996,1230 1.738,1231 1.254,1232 1.179,1233 1.58,1234 1.54,1235 0.75,1236 1.554,1237 1.175,1238 1.09,1239 1.519,1240 1.463,1241 0.573,1242 1.488,1243 1.024,1244 0.938,1245 1.331,1246 1.284,1247 0.534,1248 1.309,1249 0.903,1250 0.788,1251 1.285,1252 1.223,1253 0.492,1254 1.25,1255 3.97,1257 5.22,1259 6.681,1261 8.243,1263 9.861,1265 1.694,1271 9.01,1272 10.103,1273 11.529,1275 0.214,1280 29.837,1281 76.758,1282 165.296,1283 237.403,1284 265.668,1285 271.668,1286 273.668,1287 34.526,1288 6.939,1289 66.91,1290 66.91,1291 18,1292 12.055,1293 3,1294 2.322,1295 39.784,1296 106,1297 96,1298 0.179,1299 184.712,1300 323,1301 442.458,1302 10473,1304 16.615,1305 0.692,1306 0.602,1307 16.615,1308 14.437,1309 11.865,1310 0.456,1311 0.343,1312 8.767,1313 11.312,1314 8.607,1315 7.126,1316 11.865,1317 8.92,1318 9.698,1319 0.294,1320 0.189,1321 9.698,1322 6.222,1323 8.136,1324 0.194,1325 0.105,1326 8.136,1327 4.393,1328 6.616,1329 0.127,1330 0.059,1331 6.616,1332 3.073,1333 5.378,1334 0.084,1335 0.035,1336 5.378,1337 2.215,1338 0.295,1339 74.981,1340 0.236,1341 24.361,1342 0.452,1343 118,1344 316.115,1345 131.802,1346 295.052,1347 407.82,1348 282,1349 134,1350 297.529,1351 148.301,1352 296.472,1353 433.33,1354 280,1355 9.1} {0 CHEMBL88417,1 1.476,2 11.864,3 0.854,4 0.729,5 88.823,6 6.457,7 0.25,8 3.94,9 4.093,10 3.384,11 3.371,12 4.868,13 3.344,14 4.52,15 4.735,16 3.671,17 3.753,18 5.404,19 3.684,20 4.806,21 5.082,22 3.648,23 3.838,24 5.594,25 3.723,26 4.709,27 5,28 3.4,29 3.717,30 5.454,31 3.574,32 4.592,33 4.882,34 3.238,35 3.644,36 5.258,37 3.474,38 4.565,39 4.873,40 3.147,41 3.569,42 5.216,43 3.38,44 4.471,45 4.782,46 3.075,47 3.457,48 5.123,49 3.276,50 4.349,51 4.66,52 2.993,53 3.35,54 5.032,55 3.188,56 0.059,57 0.71,58 11.753,59 3.802,60 6.696,61 6.052,62 0.257,63 1.072,64 21.587,65 6.407,66 20.073,67 10.188,68 0.446,69 1.186,70 29.044,71 7.62,72 31.357,73 12.849,74 0.409,75 1.056,76 26.36,77 6.835,78 28.445,79 11.528,80 0.244,81 0.947,82 22.906,83 6.886,84 18.93,85 11.193,86 0.275,87 0.884,88 22.289,89 6.795,90 20.407,91 10.916,92 0.262,93 0.796,94 20.326,95 5.846,96 17.979,97 9.739,98 0.24,99 0.721,100 18.085,101 4.947,102 17.395,103 8.346,105 30,106 0.258,107 0.554,108 0.74,109 0.873,110 0.903,111 0.91,112 3.144,113 1.018,114 -2.58,115 -2.6,116 -2.53,119 34,121 2,125 6,127 1,140 4,142 2,157 1,169 3,172 2,174 2,175 1,176 4,178 2,182 2,184 2,186 2,189 1,193 2,196 2,197 3,203 1,208 1,218 1,219 1,220 3,222 1,229 1,231 1,233 1,241 1,242 1,244 2,248 1,252 1,254 1,256 1,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 14.43,266 26.801,267 9.798,268 15.906,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 10.373,275 39.639,276 4.74,277 12.656,278 4.079,279 2.38,280 1.319,281 0.553,282 0.383,283 0.34,284 3.838,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 14.777,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 47.5,315 261,316 4.228,317 3.241,318 6.183,319 3.865,320 2.923,321 3.815,322 1.263,323 9.226,324 2.752,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.388,335 2.531,336 5.257,337 3.255,338 2.303,339 2.443,340 0.4,341 6.678,342 2.18,343 2.928,344 1.985,345 4.415,346 2.714,347 1.755,348 2.077,349 0.4,350 4.371,351 1.681,352 2.866,353 1.915,354 3.819,355 2.559,356 1.618,357 1.988,358 0.277,359 3.579,360 1.52,361 2.743,362 1.696,363 3.631,364 2.451,365 1.492,366 1.748,367 0.247,368 3.117,369 1.427,370 2.505,371 1.473,372 3.584,373 2.384,374 1.401,375 1.497,377 2.988,378 1.372,379 2.158,380 1.401,381 3.266,382 1.981,383 1.046,384 1.103,386 2.227,387 0.976,388 2.037,389 1.295,390 3.247,391 1.917,392 1,393 1.027,395 2.136,396 0.916,397 1.882,398 0.9,399 3.136,400 1.634,401 0.695,402 0.803,404 1.589,405 0.649,406 1.399,407 0.62,408 2.755,409 1.265,410 0.335,411 0.349,413 0.747,414 0.31,415 0.896,416 0.053,417 2.338,418 0.708,419 -0.225,420 -0.238,422 -0.524,423 -0.209,424 0.69,425 -0.234,426 2.131,427 0.379,428 -0.555,429 -0.591,431 -1.23,432 -0.513,433 0.569,434 -0.391,435 2,436 0.331,437 -0.618,438 -0.729,440 -1.596,441 -0.582,442 0.298,443 -0.569,444 1.773,445 0.044,446 -0.888,447 -0.932,449 -1.918,450 -0.824,451 10.333,452 0.47,453 0.256,454 0.012,455 23.5,456 1.068,457 8.5,458 0.386,459 15,460 0.682,461 18.122,462 0.824,463 25.667,464 0.546,465 14.132,466 0.642,467 4.658,468 0.212,469 6.258,470 0.284,473 0.194,479 1.082,480 1.608,481 0.958,482 1.282,483 0.983,484 1.119,485 1.206,486 1.22,487 1.114,488 1.207,489 1.108,490 1.153,491 1.299,492 1.027,493 1.013,494 0.938,495 1.185,496 0.941,497 1.385,498 0.833,499 1.155,500 0.891,501 1.322,502 0.974,503 1.008,504 1.028,505 1.059,506 1.055,507 1.005,508 1.065,509 0.786,510 0.897,511 0.961,512 0.995,513 0.804,514 1.004,515 0.809,516 0.964,517 0.915,518 0.944,519 0.817,520 0.946,521 0.983,522 0.815,523 0.98,524 0.848,525 1.038,526 0.896,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 13610,539 2.153,540 53.2,542 17,545 4,548 4,550 1.632,551 2.129,552 3.537,553 1.87,555 1,559 69.36,560 1.476,561 3.175,562 4.236,563 5.001,564 5.172,565 5.214,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,577 261.066,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.17,592 1,594 105.786,595 -0.075,596 -0.226,597 0.057,598 -0.07,599 -0.017,600 0.005,601 -0.016,602 -0.024,603 -0.091,604 -0.144,605 0.015,606 -0.128,607 -0.013,608 -0.056,609 0.004,610 0.006,611 0.001,612 0.007,613 -0.173,614 0.139,615 -0.143,616 0.019,617 -0.192,618 -0.047,619 -0.111,620 -0.076,621 -0.097,622 -0.067,623 -0.119,624 -0.079,625 0.038,626 0.01,627 -0.01,628 -0.033,629 0.036,630 -0.031,631 0.057,632 -0.074,633 0.043,634 0.001,635 0.037,636 0.016,637 -0.063,638 0.111,639 -0.006,640 0.068,641 -0.108,642 0.046,643 1.146,644 2.464,645 0.727,646 20,647 0.993,648 1.146,649 1.346,650 1.813,651 0.619,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.576,664 303.46,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 10.6,677 3,680 1,684 1,688 4,693 2,695 6,707 1,712 1,714 47,716 7,717 1,718 24,720 49,721 16,722 6,723 2,724 4,730 3,731 4,734 1,740 2,743 3,745 7,746 9,750 1,758 1,759 1,760 1,761 1,764 25,765 6,766 4,767 6,773 5,777 0.667,778 1,793 3,797 1,814 3,819 2,827 22,833 8,834 4,835 1,837 1,847 2.1,852 1,854 10.333,855 7.783,856 5.028,857 2.956,858 1.352,859 1.201,860 0.976,861 5.928,862 8.073,863 3.367,864 3.773,865 4.171,866 4.563,867 4.969,868 4.831,869 4.967,870 5.128,871 5.256,872 4.863,873 0.875,874 28,875 8.157,877 3.332,878 7.447,879 16.192,881 13.124,883 1.947,884 42.833,885 0.001,888 247.193,889 65.508,890 88.829,892 11,895 65.508,896 258.193,897 88.829,899 17.703,900 91.937,901 18.011,902 35.786,903 1.899,904 247.193,906 247.193,907 154.336,908 11,911 200.109,912 58.084,915 88.521,916 47.804,917 18.011,919 247.193,920 99.828,921 65.508,924 247.193,925 27.603,926 37.905,927 72.043,928 27.785,929 247.193,930 99.828,931 65.508,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.143,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 98.107,951 15.591,952 8.364,953 4.857,955 99.828,956 8.083,961 2.035,963 72.043,964 412.529,965 28,973 4.388,974 0.947,975 46.672,976 53.853,977 0.266,978 0.572,979 0.763,980 0.9,981 0.931,982 0.939,983 4.559,984 1.046,985 5.389,986 2.988,987 4.111,988 4.454,989 1.831,990 6.057,991 3.99,992 5.646,993 1,994 6.843,995 2.227,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.014,1001 6.874,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.374,1007 1.759,1008 9.728,1009 5.297,1010 8.134,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.213,1019 9.436,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.631,1025 1.915,1026 13.773,1027 6.866,1028 10.765,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.27,1037 12.116,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.071,1043 2.184,1044 18.008,1045 8.601,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.278,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.612,1061 2.527,1062 22.343,1063 10.442,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.271,1073 1.755,1074 6.678,1075 22.154,1076 3.091,1077 13.114,1078 16.207,1079 2.917,1080 26.73,1081 12.352,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.264,1091 1.492,1092 3.579,1093 25.723,1094 2.077,1095 15.185,1096 18.834,1097 3.338,1098 31.143,1099 14.304,1100 1.401,1101 3.117,1102 27.515,1103 1.988,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 15.261,1109 6065,1110 8913,1111 16.871,1112 29.097,1113 34.288,1114 34.499,1115 34.265,1116 34.195,1117 34.181,1118 39.884,1119 6.893,1120 87.247,1121 32.15,1122 5.2,1123 5.241,1124 6.008,1125 4.979,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.752,1132 1.429,1133 1.437,1134 1.428,1135 1.425,1136 1.424,1137 1.662,1138 0.287,1139 3.635,1140 1.34,1141 3.966,1142 4.001,1143 3.903,1144 3.855,1145 4.891,1146 3.862,1147 3.826,1148 3.902,1149 3.725,1150 3.619,1151 4.751,1152 3.632,1153 3.675,1154 3.749,1155 3.535,1156 3.501,1157 4.388,1158 3.499,1159 3.512,1160 3.58,1161 3.358,1162 3.354,1163 4.196,1164 3.345,1165 3.228,1166 3.331,1167 3.065,1168 2.966,1169 3.982,1170 2.98,1171 3.022,1172 3.114,1173 2.867,1174 2.807,1175 3.949,1176 2.811,1177 2.924,1178 3.043,1179 2.748,1180 2.715,1181 3.739,1182 2.713,1183 2.884,1184 2.948,1185 2.7,1186 2.645,1187 3.538,1188 2.639,1189 0.176,1190 0.135,1191 0.258,1192 0.161,1193 0.122,1194 4.228,1195 0.159,1196 3.241,1197 0.053,1198 6.183,1199 0.384,1200 3.865,1201 0.115,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.752,1207 1.911,1208 1.885,1209 2.03,1210 2.054,1211 1.261,1212 2.048,1213 1.757,1214 1.683,1215 1.965,1216 1.992,1217 1.218,1218 1.987,1219 1.66,1220 1.589,1221 1.901,1222 1.865,1223 1.163,1224 1.882,1225 1.511,1226 1.446,1227 1.758,1228 1.702,1229 0.993,1230 1.726,1231 1.175,1232 1.076,1233 1.468,1234 1.478,1235 0.641,1236 1.485,1237 0.987,1238 0.902,1239 1.288,1240 1.266,1241 0.492,1242 1.281,1243 0.903,1244 0.804,1245 1.283,1246 1.222,1247 0.467,1248 1.25,1249 0.864,1250 0.787,1251 1.14,1252 1.094,1253 0.197,1254 1.108,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 7.776,1272 13.454,1273 5.964,1275 0.187,1280 27.09,1281 69.36,1282 149.214,1283 199.092,1284 235.066,1285 243.066,1286 245.066,1287 27.962,1288 6.72,1289 69.71,1290 69.71,1291 18,1292 11.843,1293 3,1294 2.322,1295 35.009,1296 95,1297 78,1298 0.175,1299 168.326,1300 290.61,1301 402.475,1302 8086,1304 15.037,1305 0.684,1306 0.586,1307 15.037,1308 12.899,1309 10.916,1310 0.455,1311 0.339,1312 8.009,1313 10.447,1314 7.914,1315 6.538,1316 10.916,1317 8.141,1318 8.979,1319 0.299,1320 0.187,1321 8.979,1322 5.612,1323 7.348,1324 0.199,1325 0.103,1326 7.348,1327 3.793,1328 5.928,1329 0.132,1330 0.058,1331 5.928,1332 2.609,1333 4.838,1334 0.088,1335 0.033,1336 4.838,1337 1.832,1338 0.291,1339 68.628,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 274.712,1345 120.644,1346 261.546,1347 364.25,1348 250,1349 121,1350 269.673,1351 133.978,1352 267.704,1353 390.9,1354 255,1355 6} {0 CHEMBL88661,1 1.425,2 11.864,3 1.367,4 1.869,5 88.848,6 6.301,7 0.25,8 3.949,9 4.098,10 3.375,11 3.414,12 4.85,13 3.372,14 4.542,15 4.756,16 3.654,17 3.813,18 5.384,19 3.725,20 4.828,21 5.102,22 3.636,23 3.919,24 5.554,25 3.781,26 4.803,27 5.101,28 3.404,29 3.795,30 5.514,31 3.631,32 4.62,33 4.91,34 3.236,35 3.697,36 5.253,37 3.51,38 4.606,39 4.918,40 3.143,41 3.613,42 5.227,43 3.41,44 4.496,45 4.807,46 3.068,47 3.492,48 5.111,49 3.302,50 4.386,51 4.698,52 2.993,53 3.382,54 5.062,55 3.211,56 0.061,57 0.712,58 12.036,59 4.237,60 6.642,61 6.488,62 0.265,63 1.113,64 22.078,65 7.263,66 19.839,67 11.062,68 0.272,69 1.282,70 29.013,71 8.837,72 22.892,73 14.198,74 0.456,75 1.157,76 28.643,77 7.979,78 30.797,79 13.02,80 0.203,81 1.009,82 23.13,83 7.67,84 16.864,85 12.06,86 0.261,87 0.944,88 22.841,89 7.475,90 19.643,91 11.673,92 0.191,93 0.845,94 20.438,95 6.328,96 14.989,97 10.232,98 0.277,99 0.762,100 18.621,101 5.2,102 18.544,103 8.687,105 30,106 0.248,107 0.56,108 0.775,109 0.869,110 0.898,111 0.905,112 3.144,113 1.044,114 -3.32,115 -3.31,116 -3.17,119 35.4,121 3,122 1,125 6,140 4,141 1,142 1,157 1,169 6,172 4,174 2,175 1,176 4,178 6,182 3,186 1,189 5,193 2,195 1,196 1,197 3,199 4,208 1,211 2,215 1,218 1,219 1,220 3,222 2,231 2,233 1,237 1,240 1,242 3,244 2,249 1,254 2,256 1,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 14.43,266 25.276,267 9.798,268 15.847,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 10.373,275 35.676,276 4.74,277 12.532,278 4.16,279 2.364,280 1.125,281 0.583,282 0.417,283 0.375,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 13.478,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 47,315 261,316 4.228,317 3.212,318 6.183,319 3.893,320 2.923,321 3.815,322 1.263,323 9.226,324 2.835,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.388,335 2.408,336 5.257,337 3.285,338 2.303,339 2.443,340 0.4,341 6.678,342 2.257,343 2.928,344 2.09,345 4.415,346 2.717,347 1.755,348 2.077,349 0.277,350 4.371,351 1.686,352 2.866,353 1.936,354 3.819,355 2.556,356 1.618,357 1.988,358 0.247,359 3.579,360 1.51,361 2.743,362 1.691,363 3.631,364 2.456,365 1.492,366 1.748,368 3.117,369 1.437,370 2.505,371 1.472,372 3.584,373 2.392,374 1.401,375 1.497,377 2.988,378 1.384,379 2.158,380 1.4,381 3.266,382 1.98,383 1.046,384 1.103,386 2.227,387 0.974,388 2.037,389 1.298,390 3.247,391 1.917,392 1,393 1.027,395 2.136,396 0.916,397 1.882,398 0.972,399 3.136,400 1.621,401 0.695,402 0.803,404 1.589,405 0.637,406 1.399,407 0.576,408 2.755,409 1.283,410 0.335,411 0.349,413 0.747,414 0.317,415 0.896,416 0.083,417 2.338,418 0.724,419 -0.225,420 -0.238,422 -0.524,423 -0.213,424 0.69,425 -0.252,426 2.131,427 0.391,428 -0.555,429 -0.591,431 -1.23,432 -0.52,433 0.569,434 -0.372,435 2,436 0.34,437 -0.618,438 -0.729,440 -1.596,441 -0.586,442 0.298,443 -0.576,444 1.773,445 0.057,446 -0.888,447 -0.932,449 -1.918,450 -0.833,451 10.433,452 0.474,453 0.256,454 0.012,455 22.5,456 1.023,457 8,458 0.364,459 14.5,460 0.659,461 19.243,462 0.875,463 25.567,464 0.533,465 13.011,466 0.591,467 4.325,468 0.197,469 6.591,470 0.3,473 0.192,479 1.032,480 1.524,481 0.977,482 1.269,483 0.925,484 1.132,485 1.194,486 1.115,487 1.135,488 1.153,489 1.114,490 1.139,491 1.133,492 1.112,493 1.017,494 1.06,495 1.076,496 1.026,497 1.463,498 0.776,499 1.132,500 0.828,501 1.376,502 0.925,503 0.849,504 1.068,505 1.037,506 1.097,507 0.884,508 1.091,509 0.746,510 0.88,511 0.936,512 0.969,513 0.761,514 0.977,515 0.866,516 1.019,517 0.909,518 0.97,519 0.843,520 0.949,521 1.123,522 0.778,523 1.001,524 0.773,525 1.15,526 0.85,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 13038,539 2.153,540 54.2,541 2,542 16,545 3,548 5,550 1.632,551 2.129,552 3.537,553 1.024,554 1,555 1,559 68.38,560 1.425,561 3.221,562 4.46,563 5.002,564 5.168,565 5.21,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,577 268.078,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.5,592 1,594 105.786,595 -0.037,596 -0.168,597 0.061,598 -0.052,599 0.039,600 0.009,601 -0.004,602 0.071,603 -0.101,604 -0.08,605 0.007,606 -0.101,607 -0.07,608 -0.108,609 -0.024,610 -0.078,611 -0.048,612 -0.046,613 -0.13,614 0.17,615 -0.115,616 0.07,617 -0.171,618 -0.008,619 -0.06,620 -0.108,621 -0.086,622 -0.1,623 -0.071,624 -0.097,625 0.066,626 0.024,627 0.012,628 -0.017,629 0.066,630 -0.013,631 -0.01,632 -0.121,633 0.045,634 -0.025,635 -0.002,636 0.009,637 -0.042,638 0.154,639 -0.011,640 0.12,641 -0.113,642 0.069,643 0.757,644 2.317,645 0.727,646 20,647 0.989,648 1.141,649 2.093,650 4.383,651 0.622,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.575,664 302.47,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 8.3,677 3,684 1,688 4,693 2,695 6,712 1,714 48,716 7,717 1,718 24,720 50,721 17,722 6,723 2,724 4,730 3,731 4,734 1,740 2,741 1,743 3,745 7,746 10,747 1,750 1,758 1,759 1,760 1,761 1,764 26,765 5,766 3,767 5,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,827 22,833 9,834 3,835 1,837 1,847 2.1,852 1,854 10.333,855 8.033,856 5.028,857 3.088,858 1.352,859 1.201,860 0.966,861 5.963,862 8.073,863 3.367,864 3.773,865 4.171,866 4.563,867 4.969,868 4.831,869 4.967,870 5.128,871 5.256,872 4.863,873 0.875,874 28,875 8.171,877 3.336,878 7.402,879 16.376,881 13.43,883 1.902,884 41.833,885 0.001,888 270.735,889 70.958,890 70.818,892 11,895 70.958,896 281.735,897 70.818,899 22.725,900 91.937,902 36.214,903 1.899,904 270.735,906 270.735,907 141.775,908 11,911 211.88,912 69.855,915 93.542,916 48.233,919 270.735,920 81.818,921 70.958,924 270.735,925 33.053,926 37.905,927 54.032,928 27.785,929 270.735,930 81.818,931 70.958,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.14,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 98.107,951 15.629,952 8.393,953 4.877,955 81.818,956 8.359,961 2.396,963 54.032,964 423.511,965 28,973 4.4,974 0.962,975 47.454,976 54.77,977 0.255,978 0.577,979 0.799,980 0.896,981 0.925,982 0.933,983 4.559,984 1.046,985 5.389,986 2.988,987 4.111,988 4.454,989 1.778,990 6.057,991 4.015,992 5.646,993 1,994 6.843,995 2.227,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.099,1001 6.874,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.374,1007 1.751,1008 9.728,1009 5.365,1010 8.134,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.354,1019 9.436,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.631,1025 1.914,1026 13.773,1027 6.991,1028 10.765,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.465,1037 12.116,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.071,1043 2.184,1044 18.008,1045 8.789,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.529,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.612,1061 2.527,1062 22.343,1063 10.697,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.581,1073 1.755,1074 6.678,1075 22.154,1076 3.091,1077 13.114,1078 16.207,1079 2.917,1080 26.73,1081 12.675,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.633,1091 1.492,1092 3.579,1093 25.723,1094 2.077,1095 15.185,1096 18.834,1097 3.338,1098 31.143,1099 14.695,1100 1.401,1101 3.117,1102 27.515,1103 1.988,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 15.692,1109 6065,1110 8711,1111 16.871,1112 29.853,1113 34.288,1114 34.603,1115 34.265,1116 34.162,1117 34.181,1118 39.884,1119 6.093,1120 87.247,1121 32.489,1122 5.2,1123 5.212,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.835,1132 1.429,1133 1.442,1134 1.428,1135 1.423,1136 1.424,1137 1.662,1138 0.254,1139 3.635,1140 1.354,1141 3.987,1142 4.016,1143 3.916,1144 3.901,1145 4.862,1146 3.9,1147 3.826,1148 3.902,1149 3.725,1150 3.619,1151 4.75,1152 3.632,1153 3.678,1154 3.751,1155 3.539,1156 3.519,1157 4.358,1158 3.514,1159 3.525,1160 3.592,1161 3.367,1162 3.387,1163 4.248,1164 3.372,1165 3.219,1166 3.315,1167 3.056,1168 2.964,1169 3.989,1170 2.975,1171 3.007,1172 3.065,1173 2.863,1174 2.826,1175 3.785,1176 2.821,1177 2.963,1178 3.051,1179 2.79,1180 2.756,1181 3.731,1182 2.761,1183 2.923,1184 3.043,1185 2.7,1186 2.645,1187 3.541,1188 2.639,1189 0.176,1190 0.134,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.212,1197 0.053,1198 6.183,1199 0.384,1200 3.893,1201 0.118,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.835,1207 1.952,1208 1.928,1209 2.082,1210 2.066,1211 1.378,1212 2.072,1213 1.757,1214 1.684,1215 1.966,1216 1.992,1217 1.23,1218 1.987,1219 1.667,1220 1.6,1221 1.902,1222 1.864,1223 1.189,1224 1.882,1225 1.539,1226 1.476,1227 1.783,1228 1.709,1229 0.991,1230 1.738,1231 1.168,1232 1.074,1233 1.462,1234 1.464,1235 0.638,1236 1.472,1237 0.985,1238 0.926,1239 1.296,1240 1.235,1241 0.5,1242 1.252,1243 0.936,1244 0.858,1245 1.285,1246 1.223,1247 0.492,1248 1.247,1249 0.903,1250 0.788,1251 1.245,1252 1.2,1253 0.43,1254 1.23,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 9.161,1272 10.164,1273 5.817,1275 0.576,1280 27.595,1281 68.38,1282 154.613,1283 214.078,1284 240.078,1285 248.078,1286 250.078,1287 28.546,1288 6.72,1289 57.68,1290 57.68,1291 18,1292 11.843,1293 3,1294 2.322,1295 35.009,1296 95,1297 78,1298 0.175,1299 171.124,1300 296.91,1301 409.302,1302 8086,1304 15.037,1305 0.684,1306 0.596,1307 15.037,1308 13.106,1309 10.916,1310 0.455,1311 0.348,1312 8.237,1313 10.507,1314 8.107,1315 6.71,1316 10.916,1317 8.352,1318 8.979,1319 0.299,1320 0.199,1321 8.979,1322 5.984,1323 7.348,1324 0.199,1325 0.111,1326 7.348,1327 4.109,1328 5.928,1329 0.132,1330 0.064,1331 5.928,1332 2.899,1333 4.838,1334 0.088,1335 0.038,1336 4.838,1337 2.072,1338 0.291,1339 68.266,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 260.379,1345 118.259,1346 248.874,1347 345.13,1348 238,1349 121,1350 251.074,1351 131.481,1352 251.971,1353 366.54,1354 239,1355 6} {0 CHEMBL88676,1 1.425,2 11.864,3 1.757,4 3.088,5 88.509,6 6.301,7 0.25,8 3.949,9 4.098,10 3.375,11 3.414,12 4.847,13 3.372,14 4.542,15 4.755,16 3.662,17 3.806,18 5.392,19 3.72,20 4.835,21 5.11,22 3.635,23 3.901,24 5.579,25 3.769,26 4.753,27 5.039,28 3.399,29 3.782,30 5.464,31 3.624,32 4.643,33 4.938,34 3.238,35 3.692,36 5.284,37 3.508,38 4.588,39 4.896,40 3.142,41 3.606,42 5.216,43 3.406,44 4.496,45 4.808,46 3.07,47 3.498,48 5.123,49 3.305,50 4.378,51 4.689,52 2.987,53 3.391,54 5.025,55 3.217,56 0.061,57 0.712,58 12.036,59 4.237,60 6.628,61 6.488,62 0.254,63 1.108,64 22.089,65 7.234,66 19.206,67 11.029,68 0.373,69 1.257,70 29.477,71 8.697,72 27.635,73 13.93,74 0.36,75 1.135,76 27.13,77 7.782,78 26.119,79 12.608,80 0.238,81 1.014,82 23.811,83 7.555,84 18.858,85 12.014,86 0.256,87 0.935,88 22.453,89 7.358,90 19.302,91 11.479,92 0.244,93 0.844,94 20.494,95 6.407,96 16.989,97 10.301,98 0.195,99 0.766,100 18.272,101 5.353,102 15.224,103 8.858,105 30,106 0.248,107 0.55,108 0.755,109 0.869,110 0.898,111 0.905,112 3.144,113 1.049,114 -3.32,115 -3.31,116 -3.17,119 35.4,121 4,125 5,127 1,140 4,141 1,142 1,157 1,169 6,172 4,174 2,175 1,176 3,178 6,182 3,184 1,186 1,189 5,193 2,196 1,197 3,199 3,203 1,208 2,211 2,218 1,219 1,220 2,222 2,229 1,231 2,233 2,242 2,244 2,248 1,249 1,252 1,254 3,256 1,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 14.43,266 24.585,267 9.798,268 15.85,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 10.373,275 32.884,276 4.74,277 12.561,278 4.16,279 2.421,280 1.24,281 0.583,282 0.417,283 0.375,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 13.779,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 47,315 261,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 1.263,323 9.226,324 2.805,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.388,335 2.555,336 5.257,337 3.259,338 2.303,339 2.443,340 0.4,341 6.678,342 2.189,343 2.928,344 1.999,345 4.415,346 2.715,347 1.755,348 2.077,349 0.277,350 4.371,351 1.683,352 2.866,353 1.898,354 3.819,355 2.59,356 1.618,357 1.988,358 0.247,359 3.579,360 1.568,361 2.743,362 1.691,363 3.631,364 2.451,365 1.492,366 1.748,368 3.117,369 1.427,370 2.505,371 1.478,372 3.584,373 2.385,374 1.401,375 1.497,377 2.988,378 1.373,379 2.158,380 1.401,381 3.266,382 1.987,383 1.046,384 1.103,386 2.227,387 0.981,388 2.037,389 1.291,390 3.247,391 1.917,392 1,393 1.027,395 2.136,396 0.916,397 1.882,398 0.805,399 3.136,400 1.667,401 0.695,402 0.803,404 1.589,405 0.673,406 1.399,407 0.618,408 2.755,409 1.266,410 0.335,411 0.349,413 0.747,414 0.311,415 0.896,416 0.014,417 2.338,418 0.716,419 -0.225,420 -0.238,422 -0.524,423 -0.211,424 0.69,425 -0.267,426 2.131,427 0.387,428 -0.555,429 -0.591,431 -1.23,432 -0.518,433 0.569,434 -0.334,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.596,441 -0.596,442 0.298,443 -0.567,444 1.773,445 0.045,446 -0.888,447 -0.932,449 -1.918,450 -0.825,451 10.433,452 0.474,453 0.256,454 0.012,455 22.5,456 1.023,457 8,458 0.364,459 14.5,460 0.659,461 19.261,462 0.875,463 25.567,464 0.533,465 12.994,466 0.591,467 4.287,468 0.195,469 6.629,470 0.301,473 0.192,479 1.032,480 1.524,481 0.977,482 1.269,483 0.944,484 1.132,485 1.16,486 1.155,487 1.121,488 1.197,489 1.077,490 1.158,491 1.34,492 0.997,493 1.023,494 0.951,495 1.226,496 0.953,497 1.449,498 0.904,499 1.167,500 0.944,501 1.374,502 1.01,503 1.011,504 1.001,505 1.045,506 1.019,507 1.002,508 1.034,509 0.761,510 0.898,511 0.955,512 0.989,513 0.776,514 0.997,515 0.774,516 0.963,517 0.906,518 0.943,519 0.781,520 0.943,521 0.995,522 0.904,523 0.968,524 0.878,525 1.033,526 0.904,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 12894,539 2.153,540 54.2,541 2,542 15,545 3,547 2,548 4,550 1.632,551 2.129,552 3.537,553 1.024,554 1,555 1,559 68.38,560 1.425,561 3.164,562 4.345,563 5.002,564 5.168,565 5.21,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,576 1,577 268.078,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.5,592 1,594 105.786,595 -0.037,596 -0.168,597 0.061,598 -0.052,599 0.02,600 0.009,601 0.03,602 0.029,603 -0.087,604 -0.125,605 0.045,606 -0.12,607 -0.055,608 -0.018,609 -0.01,610 0.009,611 -0.047,612 0.006,613 -0.187,614 0.073,615 -0.155,616 -0.017,617 -0.215,618 -0.072,619 -0.099,620 -0.055,621 -0.081,622 -0.049,623 -0.106,624 -0.061,625 0.06,626 0.017,627 -0.004,628 -0.031,629 0.057,630 -0.029,631 0.084,632 -0.063,633 0.047,634 0.002,635 0.062,636 0.016,637 -0.086,638 0.031,639 0.002,640 0.043,641 -0.113,642 0.038,643 1.035,644 2.526,645 0.727,646 20,647 0.989,648 1.141,649 2.093,650 4.383,651 0.622,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.575,664 302.47,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 8.3,677 3,684 1,688 4,693 2,695 6,712 1,714 48,716 7,717 1,718 24,720 50,721 17,722 6,723 2,724 4,730 3,731 4,734 1,740 4,743 5,745 7,746 10,750 1,758 1,759 1,760 1,761 1,764 26,765 5,766 3,767 5,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,827 22,833 9,834 3,835 1,837 1,847 2.1,852 1,854 10.333,855 8.033,856 5.028,857 3.143,858 1.352,859 1.201,860 0.971,861 5.963,862 8.073,863 3.367,864 3.773,865 4.171,866 4.563,867 4.969,868 4.831,869 4.967,870 5.128,871 5.256,872 4.863,873 0.875,874 28,875 8.175,877 3.341,878 7.402,879 16.376,881 13.416,883 1.902,884 41.833,885 0.001,888 270.735,889 68.9,890 70.818,892 11,895 68.9,896 281.735,897 70.818,899 20.667,900 91.937,902 36.214,903 1.899,904 270.735,906 270.735,907 139.718,908 11,911 200.109,912 81.626,915 91.484,916 48.233,919 270.735,920 81.818,921 68.9,924 270.735,925 30.995,926 37.905,927 54.032,928 27.785,929 270.735,930 81.818,931 68.9,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.14,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 98.107,951 15.629,952 8.393,953 4.877,955 81.818,956 8.359,961 2.396,963 54.032,964 421.453,965 28,973 4.396,974 0.957,975 47.454,976 54.77,977 0.255,978 0.566,979 0.778,980 0.896,981 0.925,982 0.933,983 4.559,984 1.046,985 5.389,986 2.988,987 4.111,988 4.454,989 1.778,990 6.057,991 4.008,992 5.646,993 1,994 6.843,995 2.227,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.043,1001 6.874,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.374,1007 1.751,1008 9.728,1009 5.339,1010 8.134,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.275,1019 9.436,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.631,1025 1.914,1026 13.773,1027 6.939,1028 10.765,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.37,1037 12.116,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.071,1043 2.184,1044 18.008,1045 8.71,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.418,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.612,1061 2.527,1062 22.343,1063 10.594,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.453,1073 1.755,1074 6.678,1075 22.154,1076 3.091,1077 13.114,1078 16.207,1079 2.917,1080 26.73,1081 12.548,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.487,1091 1.492,1092 3.579,1093 25.723,1094 2.077,1095 15.185,1096 18.834,1097 3.338,1098 31.143,1099 14.545,1100 1.401,1101 3.117,1102 27.515,1103 1.988,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 15.527,1109 6065,1110 8667,1111 16.871,1112 29.853,1113 34.288,1114 34.479,1115 34.265,1116 34.199,1117 34.181,1118 39.884,1119 6.093,1120 87.247,1121 32.433,1122 5.2,1123 5.256,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.805,1132 1.429,1133 1.437,1134 1.428,1135 1.425,1136 1.424,1137 1.662,1138 0.254,1139 3.635,1140 1.351,1141 3.984,1142 4.013,1143 3.914,1144 3.896,1145 4.862,1146 3.896,1147 3.826,1148 3.903,1149 3.725,1150 3.619,1151 4.75,1152 3.632,1153 3.675,1154 3.749,1155 3.536,1156 3.507,1157 4.387,1158 3.504,1159 3.521,1160 3.586,1161 3.364,1162 3.382,1163 4.193,1164 3.368,1165 3.259,1166 3.354,1167 3.085,1168 3.045,1169 3.949,1170 3.042,1171 3.061,1172 3.143,1173 2.897,1174 2.856,1175 3.819,1176 2.861,1177 2.924,1178 3.043,1179 2.749,1180 2.716,1181 3.739,1182 2.713,1183 2.887,1184 2.954,1185 2.7,1186 2.645,1187 3.535,1188 2.639,1189 0.176,1190 0.136,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.256,1197 0.053,1198 6.183,1199 0.384,1200 3.882,1201 0.117,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.757,1214 1.683,1215 1.966,1216 1.992,1217 1.232,1218 1.987,1219 1.661,1220 1.592,1221 1.901,1222 1.865,1223 1.193,1224 1.882,1225 1.533,1226 1.471,1227 1.778,1228 1.706,1229 0.996,1230 1.733,1231 1.238,1232 1.15,1233 1.535,1234 1.499,1235 0.749,1236 1.519,1237 1.039,1238 0.958,1239 1.336,1240 1.294,1241 0.539,1242 1.318,1243 0.904,1244 0.804,1245 1.285,1246 1.223,1247 0.492,1248 1.25,1249 0.864,1250 0.787,1251 1.144,1252 1.104,1253 0.251,1254 1.118,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 9.293,1272 10.109,1273 6.026,1275 0.298,1280 27.595,1281 68.38,1282 151.858,1283 208.568,1284 240.078,1285 248.078,1286 250.078,1287 28.611,1288 6.72,1289 57.68,1290 57.68,1291 18,1292 11.843,1293 3,1294 2.322,1295 35.009,1296 95,1297 78,1298 0.175,1299 171.124,1300 296.91,1301 409.302,1302 8086,1304 15.037,1305 0.684,1306 0.596,1307 15.037,1308 13.106,1309 10.916,1310 0.455,1311 0.35,1312 8.279,1313 10.512,1314 8.163,1315 6.74,1316 10.916,1317 8.391,1318 8.979,1319 0.299,1320 0.196,1321 8.979,1322 5.881,1323 7.348,1324 0.199,1325 0.111,1326 7.348,1327 4.094,1328 5.928,1329 0.132,1330 0.064,1331 5.928,1332 2.858,1333 4.838,1334 0.088,1335 0.037,1336 4.838,1337 2.054,1338 0.291,1339 68.174,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 260.379,1345 118.924,1346 248.782,1347 346.81,1348 238,1349 121,1350 255.983,1351 131.869,1352 254.839,1353 371.66,1354 243,1355 8.5} {0 CHEMBL88761,1 1.404,2 11.826,3 1.962,4 3.85,5 93.146,6 6.206,7 0.24,8 4.003,9 4.153,10 3.414,11 3.47,12 4.898,13 3.424,14 4.601,15 4.816,16 3.744,17 3.872,18 5.447,19 3.79,20 4.91,21 5.169,22 3.737,23 4.004,24 5.681,25 3.877,26 4.911,27 5.206,28 3.52,29 3.936,30 5.608,31 3.768,32 4.793,33 5.088,34 3.377,35 3.859,36 5.436,37 3.668,38 4.746,39 5.052,40 3.263,41 3.778,42 5.379,43 3.566,44 4.665,45 4.985,46 3.154,47 3.642,48 5.276,49 3.427,50 4.511,51 4.837,52 3.053,53 3.484,54 5.141,55 3.299,56 0.067,57 0.751,58 12.874,59 4.585,60 7.736,61 6.997,62 0.254,63 1.176,64 23.526,65 7.822,66 20.696,67 11.88,68 0.409,69 1.38,70 31.902,71 9.588,72 31.087,73 15.114,74 0.402,75 1.322,76 31.52,77 9.266,78 30.319,79 14.958,80 0.253,81 1.186,82 27.402,83 9.13,84 22.028,85 14.285,86 0.271,87 1.102,88 26.015,89 8.906,90 22.856,91 13.719,92 0.26,93 0.981,94 23.955,95 7.716,96 20.203,97 12.312,98 0.232,99 0.852,100 20.738,101 5.944,102 18.26,103 9.938,104 2,105 33,106 0.241,107 0.543,108 0.756,109 0.862,110 0.889,111 0.896,112 3.187,113 1.05,114 -3.56,115 -3.53,116 -3.37,119 35.3,120 1,121 4,125 5,129 1,140 4,141 1,142 1,157 1,169 6,172 5,174 2,175 1,176 3,178 7,182 3,184 1,186 2,189 6,193 2,196 1,197 3,199 5,203 1,208 2,211 5,218 1,219 1,220 2,222 3,229 1,231 3,233 2,242 2,244 2,248 1,249 2,252 1,254 4,256 1,259 749,260 15.811,261 15.811,262 15.811,263 15.811,264 15.811,265 14.775,266 25.664,267 9.784,268 16.19,269 12.383,270 12.383,271 12.383,272 12.383,273 12.383,274 10.841,275 36.17,276 4.694,277 13.022,278 4.268,279 2.505,280 1.26,281 0.642,282 0.485,283 0.446,284 3.875,287 1,288 1,289 1,290 590,291 3.24,295 214.919,299 110.216,302 1.762,303 14.724,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 49,315 272,316 4.404,317 3.636,318 7.012,319 4.27,320 3.325,321 3.846,322 1.263,323 11.968,324 3.135,325 3.999,326 3.043,327 6.074,328 3.685,329 2.704,330 3.176,331 0.86,332 8.807,333 2.65,334 3.842,335 2.902,336 5.34,337 3.43,338 2.522,339 3.091,340 0.4,341 6.965,342 2.291,343 2.929,344 2,345 4.497,346 2.732,347 1.774,348 2.088,349 0.277,350 4.439,351 1.697,352 2.878,353 1.938,354 3.909,355 2.591,356 1.618,357 2.021,358 0.247,359 3.609,360 1.572,361 2.775,362 1.701,363 3.701,364 2.453,365 1.495,366 1.776,368 3.13,369 1.428,370 2.513,371 1.497,372 3.614,373 2.407,374 1.425,375 1.506,377 3.023,378 1.393,379 2.169,380 1.406,381 3.508,382 2.006,383 1.067,384 1.117,386 2.287,387 0.999,388 2.04,389 1.307,390 3.41,391 1.917,392 1,393 1.029,395 2.136,396 0.916,397 1.913,398 0.808,399 3.247,400 1.71,401 0.726,402 0.839,404 1.697,405 0.713,406 1.402,407 0.62,408 2.968,409 1.28,410 0.345,411 0.357,413 0.78,414 0.322,415 1.026,416 0.116,417 2.636,418 0.81,419 -0.128,420 -0.141,422 -0.318,423 -0.119,424 0.69,425 -0.172,426 2.451,427 0.528,428 -0.417,429 -0.425,431 -0.941,432 -0.392,433 0.622,434 -0.313,435 2.212,436 0.352,437 -0.618,438 -0.729,440 -1.659,441 -0.596,442 0.33,443 -0.555,444 2,445 0.079,446 -0.856,447 -0.861,449 -1.853,450 -0.797,451 10.933,452 0.475,453 0.42,454 0.018,455 23,456 1,457 8,458 0.348,459 15,460 0.652,461 22.12,462 0.962,463 26.867,464 0.527,465 13.65,466 0.593,467 4.262,468 0.185,469 6.99,470 0.304,471 0.046,472 0.046,473 0.137,479 1.031,480 1.524,481 0.997,482 1.281,483 1.015,484 1.15,485 1.109,486 1.135,487 1.048,488 1.163,489 0.976,490 1.103,491 1.594,492 1.076,493 1.124,494 1.025,495 1.404,496 1.033,497 1.387,498 0.862,499 1.129,500 0.905,501 1.3,502 0.973,503 0.926,504 1.001,505 1.03,506 1.034,507 0.945,508 1.044,509 0.704,510 0.943,511 0.982,512 1.048,513 0.792,514 1.05,515 0.685,516 0.997,517 0.888,518 0.978,519 0.729,520 0.962,521 1.038,522 0.805,523 0.931,524 0.775,525 1.041,526 0.819,527 4,528 0.062,529 2,530 0.938,531 1.018,532 0.347,533 0.221,534 0.099,535 0.148,536 0.097,537 6897,538 13551,539 2.109,540 54.9,541 2,542 14,545 3,547 5,548 4,550 1.647,551 2.044,552 3.512,553 0.989,554 1,555 1,559 71.629,560 1.404,561 3.168,562 4.412,563 5.03,564 5.187,565 5.226,566 2.926,567 4.056,568 4.497,569 3.685,570 932.259,571 7.686,572 11452.8,574 1,576 1,577 289.294,578 1.053,579 4.479,580 0.16,581 0.004,582 0.061,583 0.03,584 0.042,585 0.017,586 0.012,587 0.006,588 0.01,589 0.006,590 0.348,591 0.5,592 1,593 0.393,594 111.458,595 -0.029,596 -0.159,597 0.06,598 -0.05,599 -0.032,600 0.008,601 0.084,602 0.054,603 -0.003,604 -0.08,605 0.138,606 -0.053,607 -0.111,608 -0.063,609 -0.085,610 -0.041,611 -0.107,612 -0.059,613 -0.172,614 0.11,615 -0.123,616 0.021,617 -0.185,618 -0.035,619 -0.079,620 -0.046,621 -0.073,622 -0.046,623 -0.082,624 -0.057,625 0.056,626 -0.016,627 -0.039,628 -0.07,629 0.022,630 -0.069,631 0.107,632 -0.114,633 0.052,634 -0.033,635 0.078,636 -0.004,637 -0.093,638 0.109,639 0.04,640 0.113,641 -0.108,642 0.1,643 1.35,644 2.714,645 0.696,646 21.509,647 0.987,648 1.141,649 2.331,650 5.434,651 0.62,652 3.258,653 3.526,654 3.714,655 3.912,656 4.127,657 4.025,658 4.007,659 4.025,660 4.043,661 3.829,662 6.965,663 0.571,664 316.5,665 3.258,666 4.762,667 5.572,668 6.422,669 7.251,670 8.109,671 8.947,672 9.811,673 10.656,674 11.523,675 7.8,677 3,684 1,688 4,693 2,695 6,712 1,714 51,716 7,717 1,718 25,720 53,721 18,722 6,723 2,724 4,730 3,731 4,734 1,736 1,740 3,741 1,743 4,745 7,746 11,747 1,750 1,758 1,759 1,760 1,761 1,764 28,765 5,766 3,767 5,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,823 1,827 23,833 9,834 3,835 1,839 1,847 2,852 1,854 11.25,855 8.95,856 5.153,857 3.296,858 1.335,859 1.197,860 0.953,861 5.788,862 8.114,863 3.401,864 3.839,865 4.216,866 4.614,867 5.036,868 4.946,869 5.084,870 5.273,871 5.382,872 4.994,873 0.875,874 31,875 8.551,877 3.513,878 7.402,879 17.111,881 14.11,883 1.902,884 43.75,885 0.001,888 294.278,889 77.725,890 70.818,892 11,895 77.725,896 305.277,897 70.818,898 8.825,899 20.667,900 91.937,902 36.214,903 1.899,904 294.278,906 294.278,907 148.543,908 11,911 188.338,912 116.94,915 100.31,916 48.233,919 294.278,920 81.818,921 77.725,924 294.278,925 30.995,926 46.73,927 54.032,928 27.785,929 294.278,930 81.818,931 77.725,933 0.564,934 0.314,935 0.166,936 0.093,937 15,938 5,939 0.132,940 7,941 1,942 1.125,943 3.772,944 167.793,945 0.125,946 16,947 104.042,951 16.593,952 8.022,953 4.853,955 81.818,956 8.373,961 2.376,963 54.032,964 453.82,965 29,973 4.407,974 0.954,975 50.338,976 58.185,977 0.248,978 0.558,979 0.778,980 0.887,981 0.914,982 0.921,983 4.63,984 1.067,985 5.541,986 3.023,987 4.205,988 4.522,989 1.778,990 6.319,991 4.105,992 5.769,993 1,994 7.076,995 2.287,996 3.761,997 4.159,998 0.623,999 7.519,1000 3.599,1001 7.05,1002 0.726,1003 8.735,1004 2.136,1005 5.814,1006 6.499,1007 1.751,1008 10.484,1009 5.607,1010 8.368,1011 0.345,1012 10.479,1013 1.697,1014 6.275,1015 6.968,1016 1.178,1017 12.555,1018 5.998,1019 9.726,1020 -0.128,1021 12.278,1022 0.78,1023 7.779,1024 8.793,1025 1.914,1026 15.133,1027 7.46,1028 11.108,1029 -0.417,1030 14.116,1031 -0.318,1032 8.648,1033 9.645,1034 1.663,1035 17.476,1036 8.261,1037 12.509,1038 -0.618,1039 15.98,1040 -0.941,1041 9.943,1042 11.244,1043 2.184,1044 19.969,1045 9.51,1046 3.325,1047 -0.856,1048 17.862,1049 -1.659,1050 10.993,1051 12.295,1052 2.128,1053 22.4,1054 10.493,1055 2.704,1056 11.968,1057 19.756,1058 -1.853,1059 12.213,1060 13.782,1061 2.527,1062 24.877,1063 11.662,1064 2.522,1065 8.807,1066 21.661,1067 3.846,1068 13.343,1069 14.946,1070 2.589,1071 27.338,1072 12.727,1073 1.774,1074 6.965,1075 23.573,1076 3.176,1077 14.539,1078 16.372,1079 2.917,1080 29.815,1081 13.867,1082 1.618,1083 4.439,1084 25.491,1085 3.091,1086 15.704,1087 17.604,1088 3.051,1089 32.288,1090 14.969,1091 1.495,1092 3.609,1093 27.414,1094 2.088,1095 16.896,1096 18.996,1097 3.338,1098 34.766,1099 16.103,1100 1.425,1101 3.13,1102 29.34,1103 2.021,1104 18.078,1105 20.27,1106 3.513,1107 37.244,1108 17.222,1109 6546,1110 9260,1111 17.159,1112 31.614,1113 36.211,1114 36.35,1115 36.477,1116 36.02,1117 36.002,1118 41.692,1119 6.093,1120 97.683,1121 34.231,1122 5.376,1123 5.636,1124 6.822,1125 5.367,1126 5.325,1127 6.846,1128 2.232,1129 18.783,1130 5.135,1131 5.777,1132 1.448,1133 1.454,1134 1.459,1135 1.441,1136 1.44,1137 1.668,1138 0.244,1139 3.907,1140 1.369,1141 3.997,1142 4.025,1143 3.928,1144 3.907,1145 4.87,1146 3.907,1147 3.826,1148 3.903,1149 3.725,1150 3.622,1151 4.75,1152 3.634,1153 3.694,1154 3.762,1155 3.57,1156 3.547,1157 4.42,1158 3.545,1159 3.558,1160 3.625,1161 3.399,1162 3.413,1163 4.2,1164 3.399,1165 3.259,1166 3.354,1167 3.085,1168 3.065,1169 3.95,1170 3.054,1171 3.134,1172 3.224,1173 2.947,1174 2.915,1175 3.825,1176 2.918,1177 2.929,1178 3.043,1179 2.749,1180 2.717,1181 3.74,1182 2.713,1183 2.921,1184 3.037,1185 2.704,1186 2.677,1187 3.68,1188 2.668,1189 0.176,1190 0.145,1191 0.28,1192 0.171,1193 0.133,1194 4.404,1195 0.154,1196 3.636,1197 0.051,1198 7.012,1199 0.479,1200 4.27,1201 0.125,1202 3.325,1203 3.846,1204 1.263,1205 11.968,1206 3.135,1207 1.957,1208 1.934,1209 2.088,1210 2.074,1211 1.366,1212 2.079,1213 1.758,1214 1.685,1215 1.966,1216 1.993,1217 1.232,1218 1.987,1219 1.684,1220 1.623,1221 1.907,1222 1.871,1223 1.193,1224 1.888,1225 1.57,1226 1.504,1227 1.82,1228 1.742,1229 1.023,1230 1.772,1231 1.248,1232 1.166,1233 1.554,1234 1.5,1235 0.76,1236 1.519,1237 1.127,1238 1.03,1239 1.471,1240 1.388,1241 0.605,1242 1.43,1243 0.915,1244 0.81,1245 1.286,1246 1.224,1247 0.492,1248 1.252,1249 0.902,1250 0.802,1251 1.268,1252 1.207,1253 0.436,1254 1.237,1255 3.932,1257 5.209,1259 6.693,1261 8.274,1263 9.906,1265 2.203,1271 9.159,1272 10.165,1273 6.214,1277 -0.1,1280 29.122,1281 71.629,1282 161.545,1283 225.029,1284 256.539,1285 264.539,1286 266.539,1287 33.016,1288 6.779,1289 57.68,1290 57.68,1291 18,1292 12.073,1293 3,1294 2.322,1295 37.333,1296 97,1297 87,1298 0.183,1299 180.716,1300 314.21,1301 432.708,1302 8422,1304 15.96,1305 0.694,1306 0.61,1307 15.96,1308 14.029,1309 11.252,1310 0.45,1311 0.35,1312 8.64,1313 10.851,1314 8.44,1315 6.996,1316 11.252,1317 8.75,1318 9.815,1319 0.297,1320 0.201,1321 9.815,1322 6.627,1323 7.808,1324 0.195,1325 0.112,1326 7.808,1327 4.471,1328 6.243,1329 0.127,1330 0.063,1331 6.243,1332 3.074,1333 5.133,1334 0.084,1335 0.037,1336 5.133,1337 2.243,1338 0.301,1339 70.135,1340 0.241,1341 23.457,1342 0.465,1343 116,1344 268.379,1345 127.588,1346 258.362,1347 361.19,1348 246,1349 131,1350 270.892,1351 142.368,1352 271.286,1353 394.65,1354 257,1355 6} {0 CHEMBL88783,1 1.447,2 11.048,3 1.695,4 2.872,5 83.643,6 6.41,7 0.261,8 3.892,9 4.039,10 3.334,11 3.354,12 4.805,13 3.319,14 4.48,15 4.69,16 3.627,17 3.745,18 5.349,19 3.667,20 4.767,21 5.038,22 3.599,23 3.839,24 5.536,25 3.715,26 4.675,27 4.955,28 3.35,29 3.712,30 5.398,31 3.561,32 4.571,33 4.866,34 3.193,35 3.613,36 5.244,37 3.433,38 4.498,39 4.803,40 3.084,41 3.506,42 5.139,43 3.312,44 4.392,45 4.71,46 2.992,47 3.371,48 5.045,49 3.199,50 4.225,51 4.518,52 2.986,53 3.289,54 4.951,55 3.131,56 0.055,57 0.674,58 11.188,59 3.888,60 6.219,61 5.977,62 0.244,63 1.045,64 20.65,65 6.652,66 18.576,67 10.164,68 0.39,69 1.181,70 27.705,71 8.111,72 27.987,73 12.899,74 0.313,75 1.057,76 25.191,77 7.095,78 23.982,79 11.615,80 0.285,81 0.943,82 22.411,83 7.033,84 20.881,85 11.063,86 0.237,87 0.853,88 20.669,89 6.45,90 17.443,91 10.401,92 0.212,93 0.766,94 18.743,95 5.165,96 16.702,97 8.783,98 0.243,99 0.675,100 15.82,101 4.816,102 16.883,103 7.811,105 29,106 0.255,107 0.568,108 0.772,109 0.89,110 0.905,111 0.905,112 3.101,113 1.029,114 -3.08,115 -3.08,116 -2.96,119 35.6,121 3,125 5,127 1,140 4,141 1,142 1,157 1,169 6,172 4,174 2,175 1,176 1,178 6,182 3,184 1,185 1,186 1,189 5,193 1,197 2,199 3,206 1,207 1,208 2,211 1,218 1,220 3,231 3,236 1,237 1,240 1,242 3,249 1,254 3,259 568,260 14.759,261 14.759,262 14.759,263 14.759,264 14.759,265 13.723,266 22.541,267 9.298,268 15.145,269 11.421,270 11.421,271 11.421,272 11.421,273 11.421,274 9.873,275 28.919,276 4.49,277 12.063,278 4.045,279 2.272,280 1.111,281 0.444,282 0.356,283 0.356,284 3.794,287 1,288 1,289 1,290 507,291 2.646,295 188.188,299 97.025,302 1.669,303 13.502,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 45,315 232,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 1.263,323 9.226,324 2.805,325 3.842,326 3.044,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.291,334 3.387,335 2.555,336 5.257,337 3.257,338 2.302,339 2.443,340 0.4,341 6.678,342 2.187,343 2.928,344 1.994,345 4.415,346 2.637,347 1.689,348 2.077,349 0.277,350 4.371,351 1.602,352 2.861,353 1.888,354 3.776,355 2.589,356 1.618,357 1.986,358 0.247,359 3.468,360 1.563,361 2.677,362 1.636,363 3.624,364 2.421,365 1.453,366 1.679,368 3.061,369 1.402,370 2.463,371 1.467,372 3.541,373 2.342,374 1.372,375 1.447,377 2.926,378 1.325,379 2.098,380 1.392,381 3.247,382 1.917,383 1,384 1.049,386 2.136,387 0.916,388 1.94,389 1.117,390 3.195,391 1.794,392 0.837,393 0.895,395 1.839,396 0.799,397 1.788,398 0.802,399 3.051,400 1.587,401 0.645,402 0.727,404 1.467,405 0.605,406 1.112,407 0.319,408 2.569,409 0.958,410 0.028,411 0.03,413 0.066,414 0.026,415 0.738,416 -0.17,417 2.246,418 0.52,419 -0.424,420 -0.456,422 -0.973,423 -0.397,424 0.688,425 -0.314,426 2,427 0.352,428 -0.618,429 -0.729,431 -1.584,432 -0.596,433 0.351,434 -0.441,435 1.937,436 0.168,437 -0.758,438 -0.797,440 -1.65,441 -0.698,442 0.287,443 -0.614,444 1.592,445 -0.049,446 -1,447 -1.108,449 -2.347,450 -0.946,451 9.933,452 0.473,453 0.256,454 0.012,455 22,456 1.048,457 8,458 0.381,459 14,460 0.667,461 17.61,462 0.839,463 24.267,464 0.539,465 12.809,466 0.61,467 4.282,468 0.204,469 6.134,470 0.292,473 0.201,479 1.033,480 1.524,481 0.955,482 1.255,483 0.947,484 1.112,485 1.169,486 1.136,487 1.107,488 1.177,489 1.087,490 1.137,491 1.331,492 0.937,493 1.031,494 0.934,495 1.228,496 0.948,497 1.458,498 0.996,499 1.177,500 0.992,501 1.383,502 1.041,503 0.969,504 0.886,505 1.047,506 0.985,507 0.974,508 1.023,509 0.727,510 1.046,511 0.929,512 1.024,513 0.743,514 1.009,515 0.997,516 0.885,517 0.936,518 0.828,519 0.993,520 0.856,521 0.645,522 0.934,523 0.91,524 0.946,525 0.718,526 0.953,527 2.5,528 0.07,529 1.333,530 0.5,531 0.667,532 0.208,533 0.1,534 0.13,535 0.074,536 0.046,537 5499,538 11233,539 2.161,540 53.3,541 2,542 15,545 3,547 2,548 2,550 1.62,551 2.136,552 3.444,553 1.062,554 1,555 1,557 1,559 65.094,560 1.447,561 3.22,562 4.381,563 5.047,564 5.136,565 5.136,566 2.892,567 4.107,568 4.368,569 3.591,570 754.089,571 7.42,572 8651.21,574 1,576 1,577 247.133,578 0.702,579 4.371,580 0.109,581 0.005,582 0.046,583 0.019,584 0.033,585 0.012,586 0.007,587 0.009,588 0.005,589 0.003,590 0.249,591 0.67,592 1,594 98.551,595 -0.047,596 -0.177,597 0.061,598 -0.055,599 0.006,600 0.01,601 0.02,602 0.045,603 -0.084,604 -0.115,605 0.032,606 -0.112,607 -0.036,608 0.044,609 -0.017,610 0.023,611 -0.042,612 0.008,613 -0.223,614 -0.022,615 -0.17,616 -0.055,617 -0.241,618 -0.098,619 -0.023,620 0.058,621 -0.078,622 -0.029,623 -0.052,624 -0.059,625 0.091,626 -0.146,627 0.021,628 -0.067,629 0.075,630 -0.04,631 -0.081,632 0.026,633 0.037,634 0.068,635 -0.078,636 0.071,637 0.236,638 0.023,639 0.058,640 0.01,641 0.192,642 0.013,643 1.051,644 2.509,645 0.762,646 17.959,647 0.99,648 1.141,649 1.85,650 3.423,651 0.624,652 3.178,653 3.401,654 3.611,655 3.807,656 4.007,657 3.871,658 3.892,659 3.932,660 3.951,661 3.761,662 6.56,663 0.579,664 288.44,665 3.178,666 4.654,667 5.46,668 6.282,669 7.102,670 7.932,671 8.759,672 9.592,673 10.422,674 11.258,675 8.9,677 3,684 1,688 4,693 2,695 6,712 1,714 45,716 7,717 1,718 23,720 47,721 16,722 6,723 2,724 4,730 3,731 4,734 1,740 4,743 4,745 7,746 9,750 1,758 1,759 1,760 1,761 1,764 24,765 5,766 3,767 5,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,827 21,833 8,834 3,835 1,837 1,847 2.2,852 1,854 9.833,855 7.533,856 4.778,857 2.893,858 1.37,859 1.206,860 0.976,861 5.353,862 8.03,863 3.332,864 3.75,865 4.155,866 4.553,867 4.962,868 4.823,869 4.96,870 5.134,871 5.261,872 4.901,873 1,874 27,875 7.796,877 3.198,878 7.421,879 15.559,881 12.75,883 1.921,884 40.333,885 0.002,888 247.193,889 66.365,890 70.818,892 11,895 66.365,896 258.193,897 70.818,899 18.132,900 91.937,902 36.214,903 1.899,904 247.193,906 247.193,907 137.183,908 11,911 200.109,912 58.084,915 88.95,916 48.233,919 247.193,920 81.818,921 66.365,924 247.193,925 28.46,926 37.905,927 54.032,928 27.785,929 247.193,930 81.818,931 66.365,933 0.553,934 0.312,935 0.17,936 0.093,937 13,938 4,939 0.128,940 6,941 1,942 1.125,943 3.649,944 146.352,945 0.125,946 16,947 92.239,951 14.668,952 7.664,953 4.351,955 81.818,956 8.335,961 2.381,963 54.032,964 395.376,965 27,973 4.384,974 0.936,975 44.571,976 51.355,977 0.263,978 0.586,979 0.798,980 0.919,981 0.935,982 0.935,983 4.527,984 1,985 5.361,986 2.926,987 4.078,988 4.431,989 1.778,990 6.038,991 3.971,992 5.621,993 0.837,994 6.821,995 2.136,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.043,1001 6.854,1002 0.645,1003 8.382,1004 1.839,1005 5.525,1006 6.363,1007 1.751,1008 9.722,1009 5.31,1010 8.119,1011 0.028,1012 10.009,1013 1.467,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.275,1019 9.425,1020 -0.424,1021 11.681,1022 0.066,1023 7.238,1024 8.627,1025 1.914,1026 13.771,1027 6.92,1028 10.757,1029 -0.618,1030 13.385,1031 -0.973,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.37,1037 12.109,1038 -0.758,1039 15.111,1040 -1.584,1041 9.109,1042 11.07,1043 2.184,1044 18.008,1045 8.699,1046 2.923,1047 -1,1048 16.855,1049 -1.65,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.418,1055 2.522,1056 9.226,1057 18.612,1058 -2.347,1059 11.08,1060 13.611,1061 2.527,1062 22.343,1063 10.588,1064 2.302,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.453,1073 1.689,1074 6.678,1075 22.153,1076 3.091,1077 13.113,1078 16.207,1079 2.917,1080 26.73,1081 12.545,1082 1.618,1083 4.371,1084 23.935,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.487,1091 1.453,1092 3.468,1093 25.722,1094 2.077,1095 15.184,1096 18.834,1097 3.338,1098 31.143,1099 14.543,1100 1.372,1101 3.061,1102 27.514,1103 1.986,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 15.527,1109 5184,1110 7490,1111 16.178,1112 28.091,1113 32.947,1114 33.103,1115 32.914,1116 32.777,1117 32.78,1118 38.477,1119 6.093,1120 84.404,1121 31.041,1122 5.196,1123 5.256,1124 5.985,1125 4.978,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.805,1132 1.432,1133 1.439,1134 1.431,1135 1.425,1136 1.425,1137 1.673,1138 0.265,1139 3.67,1140 1.35,1141 3.983,1142 4.012,1143 3.914,1144 3.896,1145 4.863,1146 3.896,1147 3.821,1148 3.898,1149 3.722,1150 3.609,1151 4.75,1152 3.624,1153 3.648,1154 3.721,1155 3.513,1156 3.483,1157 4.384,1158 3.48,1159 3.471,1160 3.543,1161 3.309,1162 3.304,1163 4.181,1164 3.295,1165 3.191,1166 3.284,1167 3.019,1168 2.991,1169 3.868,1170 2.986,1171 2.988,1172 3.064,1173 2.843,1174 2.775,1175 3.816,1176 2.785,1177 2.924,1178 3.043,1179 2.708,1180 2.689,1181 3.723,1182 2.683,1183 2.845,1184 2.912,1185 2.686,1186 2.642,1187 3.456,1188 2.637,1189 0.184,1190 0.142,1191 0.269,1192 0.169,1193 0.127,1194 4.228,1195 0.166,1196 3.256,1197 0.055,1198 6.183,1199 0.401,1200 3.882,1201 0.122,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.347,1212 2.068,1213 1.75,1214 1.676,1215 1.957,1216 1.989,1217 1.221,1218 1.982,1219 1.63,1220 1.566,1221 1.86,1222 1.836,1223 1.096,1224 1.85,1225 1.474,1226 1.401,1227 1.737,1228 1.667,1229 0.966,1230 1.695,1231 1.176,1232 1.094,1233 1.479,1234 1.431,1235 0.715,1236 1.453,1237 0.946,1238 0.869,1239 1.285,1240 1.225,1241 0.492,1242 1.252,1243 0.903,1244 0.789,1245 1.209,1246 1.211,1247 0.314,1248 1.224,1249 0.84,1250 0.773,1251 1.127,1252 1.058,1253 0.222,1254 1.082,1255 3.85,1257 5.094,1259 6.544,1261 8.089,1263 9.683,1271 7.983,1272 10.023,1273 6.009,1275 0.282,1280 26.068,1281 65.094,1282 144.892,1283 197.133,1284 227.133,1285 231.133,1286 231.133,1287 26.035,1288 6.659,1289 57.68,1290 57.68,1291 18,1292 11.828,1293 3,1294 2.322,1295 32.64,1296 84,1297 70,1298 0.186,1299 161.532,1300 279.61,1301 385.897,1302 7272,1304 14.33,1305 0.682,1306 0.59,1307 14.33,1308 12.399,1309 10.416,1310 0.453,1311 0.343,1312 7.779,1313 10.013,1314 7.673,1315 6.324,1316 10.416,1317 7.891,1318 8.626,1319 0.297,1320 0.191,1321 8.626,1322 5.528,1323 7.098,1324 0.197,1325 0.107,1326 7.098,1327 3.865,1328 5.751,1329 0.131,1330 0.062,1331 5.751,1332 2.707,1333 4.713,1334 0.087,1335 0.036,1336 4.713,1337 1.946,1338 0.305,1339 65.174,1340 0.249,1341 21.698,1342 0.471,1343 104,1344 256.379,1345 114.924,1346 244.62,1347 341.05,1348 234,1349 117,1350 251.983,1351 127.897,1352 250.679,1353 365.94,1354 239,1355 7.2} {0 CHEMBL88784,1 1.386,2 13.458,3 2.793,4 7.803,5 97.753,6 6.121,7 0.231,8 4.054,9 4.205,10 3.452,11 3.523,12 4.926,13 3.472,14 4.656,15 4.873,16 3.729,17 3.918,18 5.473,19 3.818,20 4.959,21 5.242,22 3.705,23 4.019,24 5.667,25 3.871,26 4.886,27 5.18,28 3.485,29 3.912,30 5.559,31 3.74,32 4.794,33 5.097,34 3.341,35 3.829,36 5.409,37 3.635,38 4.738,39 5.05,40 3.247,41 3.757,42 5.333,43 3.549,44 4.658,45 4.971,46 3.178,47 3.679,48 5.244,49 3.476,50 4.575,51 4.883,52 3.124,53 3.616,54 5.185,55 3.413,56 0.073,57 0.789,58 13.703,59 4.933,60 7.395,61 7.503,62 0.272,63 1.232,64 24.898,65 8.389,66 20.401,67 12.733,68 0.391,69 1.41,70 32.967,71 10.135,72 28.844,73 16.066,74 0.347,75 1.288,76 30.524,77 9.083,78 25.972,79 14.681,80 0.267,81 1.168,82 27.334,83 8.807,84 20.455,85 13.964,86 0.257,87 1.084,88 25.638,89 8.543,90 19.485,91 13.352,92 0.214,93 0.996,94 23.603,95 7.832,96 16.779,97 12.31,98 0.246,99 0.926,100 21.815,101 7.503,102 17.404,103 11.457,105 32,106 0.235,107 0.515,108 0.726,109 0.861,110 0.899,111 0.905,112 3.226,113 1.084,114 -3.79,115 -3.76,116 -3.57,119 35.2,121 6,125 5,127 1,140 4,141 1,142 1,157 1,169 8,172 4,174 2,175 1,176 3,178 7,182 3,184 1,186 3,189 5,193 2,197 5,199 3,203 2,208 3,211 2,215 2,219 1,220 3,222 3,226 1,231 1,233 5,240 1,241 1,244 6,252 1,254 1,256 5,259 864,260 16.88,261 16.88,262 16.88,263 16.88,264 16.88,265 15.844,266 24.585,267 10.798,268 17.264,269 12.921,270 12.921,271 12.921,272 12.921,273 12.921,274 11.373,275 30.384,276 5.24,277 13.56,278 4.369,279 2.711,280 1.467,281 0.667,282 0.444,283 0.407,284 3.921,287 1,288 1,289 1,290 701,291 3.162,295 235.64,299 121.556,302 2.087,303 14.123,305 1,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 51,315 323,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 1.263,323 9.226,324 2.805,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.388,335 2.555,336 5.257,337 3.26,338 2.304,339 2.443,340 0.4,341 6.678,342 2.19,343 2.928,344 2.004,345 4.415,346 2.827,347 1.847,348 2.077,349 0.277,350 4.371,351 1.809,352 2.884,353 1.912,354 3.881,355 2.591,356 1.618,357 1.99,358 0.247,359 3.734,360 1.57,361 2.821,362 1.777,363 3.672,364 2.528,365 1.573,366 1.842,368 3.245,369 1.499,370 2.568,371 1.54,372 3.614,373 2.407,374 1.427,375 1.568,377 3.024,378 1.393,379 2.387,380 1.452,381 3.451,382 2.281,383 1.317,384 1.368,386 2.767,387 1.266,388 2.094,389 1.385,390 3.247,391 1.917,392 1,393 1.048,395 2.136,396 0.916,397 1.946,398 1.082,399 3.183,400 1.837,401 0.877,402 0.914,404 1.875,405 0.84,406 1.83,407 0.803,408 3.041,409 1.637,410 0.674,411 0.767,413 1.528,414 0.646,415 1.332,416 0.506,417 2.658,418 1.222,419 0.278,420 0.288,422 0.611,423 0.262,424 0.906,425 0.012,426 2.312,427 0.75,428 -0.198,429 -0.207,431 -0.451,432 -0.187,433 0.69,434 -0.253,435 2.119,436 0.445,437 -0.505,438 -0.537,440 -1.121,441 -0.475,442 0.617,443 -0.328,444 2,445 0.352,446 -0.618,447 -0.729,449 -1.592,450 -0.596,451 11.433,452 0.476,453 0.256,454 0.011,455 23.5,456 0.979,457 8,458 0.333,459 15.5,460 0.646,461 22.671,462 0.945,463 28.167,464 0.522,465 13.317,466 0.555,467 4.287,468 0.179,469 7.629,470 0.318,473 0.175,479 1.031,480 1.523,481 1.015,482 1.292,483 0.942,484 1.167,485 1.147,486 1.188,487 1.146,488 1.23,489 1.063,490 1.192,491 1.302,492 0.995,493 1.01,494 0.956,495 1.184,496 0.956,497 1.426,498 0.967,499 1.136,500 0.963,501 1.336,502 1.009,503 1.029,504 0.97,505 1.036,506 0.984,507 1.008,508 1.006,509 0.82,510 0.917,511 0.965,512 0.972,513 0.824,514 0.983,515 0.856,516 0.937,517 0.94,518 0.953,519 0.849,520 0.955,521 0.794,522 0.832,523 0.962,524 0.957,525 0.84,526 0.978,527 2.5,528 0.062,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.099,535 0.074,536 0.037,537 8602,538 16628,539 2.14,540 55.6,541 4,542 15,545 3,547 6,548 2,550 1.655,551 2.118,552 3.705,553 0.957,554 1,555 1,559 74.847,560 1.386,561 3.044,562 4.288,563 5.088,564 5.31,565 5.347,566 3.105,567 4.002,568 4.561,569 3.887,570 1072.84,571 7.792,572 14399.9,574 1,576 1,577 310.764,578 0.65,579 4.565,580 0.096,581 0.004,582 0.042,583 0.017,584 0.029,585 0.01,586 0.008,587 0.006,588 0.005,589 0.002,590 0.219,591 0.5,592 1,594 120.483,595 -0.021,596 -0.152,597 0.059,598 -0.048,599 0.041,600 0.008,601 0.045,602 0.003,603 -0.095,604 -0.14,605 0.064,606 -0.133,607 -0.031,608 -0.016,609 0.002,610 0.009,611 -0.017,612 0.01,613 -0.189,614 0.009,615 -0.127,616 -0.026,617 -0.197,618 -0.062,619 -0.099,620 -0.019,621 -0.068,622 -0.023,623 -0.103,624 -0.039,626 0.008,627 -0.015,628 -0.014,629 0.003,630 -0.016,631 -0.035,632 -0.02,633 0.008,634 0.007,635 -0.022,636 0.012,637 0.053,638 0.099,639 -0.008,640 0.012,641 0.017,642 -0.005,643 1.017,644 2.552,645 0.667,646 24.833,647 0.986,648 1.141,649 2.563,650 6.571,651 0.618,652 3.296,653 3.497,654 3.689,655 3.871,656 4.06,657 3.932,658 3.951,659 3.97,660 3.97,661 3.738,662 7.983,663 0.568,664 330.53,665 3.296,666 4.762,667 5.557,668 6.368,669 7.179,670 7.999,671 8.817,672 9.643,673 10.467,674 11.297,675 7.4,677 3,684 1,688 4,693 2,695 6,712 1,714 54,716 7,717 1,718 26,720 56,721 19,722 6,723 2,724 4,730 3,731 4,734 1,740 4,743 7,745 7,746 12,750 1,758 1,759 1,760 1,761 1,764 30,765 5,766 3,767 5,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,827 24,833 11,834 3,835 1,837 1,847 1.9,852 1,854 11.333,855 9.033,856 5.528,857 3.643,858 1.319,859 1.193,860 0.963,861 7.241,862 8.154,863 3.434,864 3.818,865 4.201,866 4.584,867 4.982,868 4.847,869 4.981,870 5.14,871 5.256,872 4.847,873 0.889,874 30,875 8.932,877 3.627,878 7.368,879 18.009,881 14.75,883 1.868,884 44.833,885 0.001,887 1,888 317.82,889 73.969,890 70.818,892 11,895 73.969,896 328.82,897 70.818,899 25.736,900 91.937,902 36.214,903 1.899,904 317.82,906 317.82,907 144.787,908 11,911 223.651,912 105.169,915 96.553,916 48.233,919 317.82,920 81.818,921 73.969,924 317.82,925 36.064,926 37.905,927 54.032,928 27.785,929 317.82,930 81.818,931 73.969,933 0.546,934 0.304,935 0.165,936 0.09,937 13,938 4,939 0.161,940 9,941 1,942 1.125,943 4.03,944 169.204,945 0.125,946 16,947 108.039,951 17.56,952 9.896,953 5.962,955 81.818,956 8.394,961 2.416,963 54.032,964 473.606,965 30,973 4.413,974 0.981,975 53.221,976 61.6,977 0.241,978 0.529,979 0.745,980 0.884,981 0.923,982 0.929,983 4.62,984 1.317,985 5.442,986 3.024,987 4.174,988 4.5,989 1.778,990 6.094,991 4.078,992 5.695,993 1,994 6.884,995 2.767,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.043,1001 6.912,1002 0.877,1003 8.429,1004 2.136,1005 5.595,1006 6.394,1007 1.751,1008 9.739,1009 5.395,1010 8.163,1011 0.674,1012 10.043,1013 1.875,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.275,1019 9.458,1020 0.278,1021 11.704,1022 1.528,1023 7.28,1024 8.638,1025 1.914,1026 13.775,1027 6.977,1028 10.781,1029 -0.198,1030 13.4,1031 0.611,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.37,1037 12.128,1038 -0.505,1039 15.122,1040 -0.451,1041 9.132,1042 11.074,1043 2.184,1044 18.009,1045 8.733,1046 2.923,1047 -0.618,1048 16.862,1049 -1.121,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.418,1055 2.522,1056 9.226,1057 18.616,1058 -1.592,1059 11.091,1060 13.612,1061 2.527,1062 22.343,1063 10.606,1064 2.304,1065 6.965,1066 20.381,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.453,1073 1.847,1074 6.678,1075 22.155,1076 3.091,1077 13.118,1078 16.207,1079 2.917,1080 26.73,1081 12.554,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.487,1091 1.573,1092 3.734,1093 25.723,1094 2.077,1095 15.187,1096 18.834,1097 3.338,1098 31.143,1099 14.548,1100 1.427,1101 3.245,1102 27.515,1103 1.99,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 15.527,1109 8107,1110 11361,1111 18.257,1112 33.376,1113 36.804,1114 36.999,1115 36.807,1116 36.746,1117 36.72,1118 42.422,1119 6.093,1120 92.32,1121 34.973,1122 5.205,1123 5.256,1124 6.073,1125 4.977,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.805,1132 1.416,1133 1.423,1134 1.416,1135 1.413,1136 1.412,1137 1.632,1138 0.234,1139 3.551,1140 1.345,1141 3.985,1142 4.014,1143 3.915,1144 3.897,1145 4.862,1146 3.897,1147 3.834,1148 3.909,1149 3.729,1150 3.646,1151 4.75,1152 3.649,1153 3.72,1154 3.793,1155 3.574,1156 3.554,1157 4.389,1158 3.551,1159 3.58,1160 3.646,1161 3.433,1162 3.443,1163 4.211,1164 3.432,1165 3.396,1166 3.479,1167 3.22,1168 3.206,1169 4.051,1170 3.198,1171 3.179,1172 3.271,1173 2.998,1174 2.986,1175 3.822,1176 2.977,1177 3.006,1178 3.088,1179 2.845,1180 2.797,1181 3.778,1182 2.801,1183 2.924,1184 3.043,1185 2.718,1186 2.704,1187 3.697,1188 2.698,1189 0.163,1190 0.125,1191 0.238,1192 0.149,1193 0.112,1194 4.228,1195 0.147,1196 3.256,1197 0.049,1198 6.183,1199 0.355,1200 3.882,1201 0.108,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.805,1207 1.949,1208 1.925,1209 2.079,1210 2.064,1211 1.361,1212 2.069,1213 1.776,1214 1.706,1215 2.004,1216 1.997,1217 1.321,1218 1.997,1219 1.71,1220 1.639,1221 1.939,1222 1.907,1223 1.217,1224 1.928,1225 1.584,1226 1.525,1227 1.813,1228 1.763,1229 1.032,1230 1.785,1231 1.394,1232 1.311,1233 1.681,1234 1.615,1235 0.935,1236 1.643,1237 1.173,1238 1.091,1239 1.484,1240 1.422,1241 0.723,1242 1.449,1243 0.981,1244 0.899,1245 1.288,1246 1.243,1247 0.493,1248 1.268,1249 0.903,1250 0.795,1251 1.282,1252 1.222,1253 0.481,1254 1.249,1255 3.97,1257 5.198,1259 6.627,1261 8.152,1263 9.729,1271 12.059,1272 10.203,1273 6.052,1275 0.317,1280 30.649,1281 74.847,1282 164.357,1283 231.545,1284 274.764,1285 286.764,1286 288.764,1287 33.945,1288 6.835,1289 57.68,1290 57.68,1291 18,1292 11.872,1293 3,1294 2.322,1295 39.945,1296 118,1297 96,1298 0.159,1299 190.309,1300 331.51,1301 456.113,1302 9862,1304 16.452,1305 0.685,1306 0.605,1307 16.452,1308 14.52,1309 11.916,1310 0.458,1311 0.361,1312 9.279,1313 11.512,1314 9.144,1315 7.574,1316 11.916,1317 9.391,1318 9.686,1319 0.303,1320 0.206,1321 9.686,1322 6.588,1323 7.848,1324 0.201,1325 0.118,1326 7.848,1327 4.594,1328 6.282,1329 0.134,1330 0.068,1331 6.282,1332 3.197,1333 5.088,1334 0.089,1335 0.04,1336 5.088,1337 2.275,1338 0.268,1339 74.174,1340 0.234,1341 24.815,1342 0.388,1343 116,1344 268.379,1345 126.924,1346 257.105,1347 358.33,1348 246,1349 129,1350 263.983,1351 139.869,1352 263.162,1353 383.18,1354 251,1355 8} {0 CHEMBL88785,1 1.476,2 13.125,3 1.741,4 3.03,5 94.972,6 6.394,7 0.231,8 4.033,9 4.175,10 3.468,11 3.467,12 4.962,13 3.437,14 4.625,15 4.836,16 3.756,17 3.851,18 5.499,19 3.782,20 4.884,21 5.144,22 3.758,23 3.966,24 5.672,25 3.856,26 4.841,27 5.112,28 3.561,29 3.894,30 5.589,31 3.752,32 4.782,33 5.067,34 3.442,35 3.824,36 5.476,37 3.654,38 4.718,39 5.011,40 3.319,41 3.735,42 5.386,43 3.551,44 4.656,45 4.96,46 3.207,47 3.623,48 5.299,49 3.438,50 4.51,51 4.815,52 3.13,53 3.503,54 5.179,55 3.332,56 0.052,57 0.752,58 13.022,59 4.598,60 7.749,61 6.891,62 0.303,63 1.151,64 24.16,65 7.64,66 23.324,67 11.501,68 0.413,69 1.318,70 31.243,71 9.131,72 31.389,73 14.436,74 0.395,75 1.241,76 29.819,77 8.691,78 29.437,79 13.827,80 0.391,81 1.138,82 27.793,83 8.69,84 26.599,85 13.67,86 0.307,87 1.044,88 25.942,89 8.326,90 23.936,91 12.875,92 0.337,93 0.942,94 24.498,95 7.346,96 22.134,97 11.714,98 0.297,99 0.843,100 21.179,101 6.123,102 20.418,103 10.001,104 3,105 33,106 0.252,107 0.543,108 0.773,109 0.866,110 0.892,111 0.898,112 3.226,113 1.029,114 -3.06,115 -3.06,116 -2.94,119 34.6,121 4,124 1,125 5,127 1,140 3,141 1,142 2,157 1,169 4,172 6,174 2,175 1,176 3,178 4,182 5,184 1,186 1,189 4,193 2,196 1,197 3,199 2,202 1,203 2,208 2,211 2,218 1,219 1,220 2,222 2,229 1,231 1,233 2,240 1,242 2,244 2,248 1,249 1,252 1,254 3,259 864,260 16.784,261 16.784,262 16.784,263 16.784,264 16.784,265 15.775,266 28.899,267 10.436,268 17.347,269 12.831,270 12.831,271 12.831,272 12.831,273 12.831,274 11.207,275 38.843,276 4.966,277 13.66,278 4.224,279 2.522,280 1.173,281 0.63,282 0.476,283 0.438,284 3.918,287 1,288 1,289 1,290 677,291 3.082,295 225.941,299 115.8,302 2.052,303 16.866,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 52,315 315,316 4.292,317 3.283,318 6.218,319 3.927,320 2.966,321 3.921,322 1.263,323 9.369,324 2.849,325 3.842,326 3.043,327 5.343,328 3.431,329 2.522,330 3.091,331 0.86,332 6.98,333 2.293,334 3.623,335 2.797,336 5.34,337 3.367,338 2.431,339 2.897,340 0.86,341 6.965,342 2.267,343 3.277,344 2.444,345 5.135,346 3.052,347 2.111,348 2.33,349 0.4,350 6.211,351 1.976,352 2.922,353 1.99,354 4.42,355 2.706,356 1.745,357 2.059,358 0.277,359 4.386,360 1.674,361 2.756,362 1.897,363 3.817,364 2.589,365 1.618,366 1.756,367 0.247,368 3.574,369 1.562,370 2.506,371 1.683,372 3.6,373 2.436,374 1.477,375 1.498,377 3.092,378 1.413,379 2.158,380 1.407,381 3.303,382 1.99,383 1.052,384 1.105,386 2.241,387 0.984,388 2.038,389 1.309,390 3.247,391 1.917,392 1,393 1.027,395 2.136,396 0.916,397 1.967,398 1.135,399 3.233,400 1.719,401 0.768,402 0.896,404 1.759,405 0.724,406 1.629,407 0.811,408 2.87,409 1.417,410 0.521,411 0.562,413 0.967,414 0.463,415 1.373,416 0.626,417 2.712,418 1.219,419 0.308,420 0.322,422 0.588,423 0.28,424 0.911,425 0.091,426 2.369,427 0.724,428 -0.205,429 -0.217,431 -0.441,432 -0.189,433 0.691,434 -0.165,435 2.274,436 0.424,437 -0.506,438 -0.537,440 -1.079,441 -0.466,442 0.599,443 -0.33,444 2.086,445 0.352,446 -0.618,447 -0.729,449 -1.808,450 -0.596,451 11.267,452 0.469,453 0.324,454 0.014,455 24.5,456 1.021,457 8.5,458 0.354,459 16,460 0.667,461 21.771,462 0.907,463 28.333,464 0.545,465 15.27,466 0.636,467 4.772,468 0.199,469 7.076,470 0.295,471 0.044,473 0.222,479 0.993,480 1.585,481 0.954,482 1.34,483 0.912,484 1.16,485 1.244,486 1.099,487 1.082,488 1.116,489 1.09,490 1.08,491 1.241,492 1.025,493 1.025,494 0.971,495 1.152,496 0.967,497 1.22,498 0.972,499 1.159,500 1.018,501 1.266,502 1.064,503 0.826,504 1.007,505 1.006,506 1.032,507 0.882,508 1.042,509 0.813,510 0.963,511 0.99,512 1.06,513 0.822,514 1.056,515 0.93,516 0.935,517 0.945,518 0.925,519 0.918,520 0.942,521 0.874,522 0.896,523 0.95,524 0.881,525 0.925,526 0.914,527 3.5,528 0.054,529 1.556,530 0.688,531 0.978,532 0.299,533 0.242,534 0.127,535 0.123,536 0.077,537 7978,538 17244,539 2.114,540 53.8,541 2,542 17,545 3,547 2,548 4,550 1.657,551 2.057,552 3.665,553 0.998,554 1,555 1,559 76.758,560 1.476,561 3.179,562 4.527,563 5.071,564 5.224,565 5.263,566 3.146,567 4.168,568 4.556,569 3.829,570 1056.93,571 7.799,572 13664.4,574 1,576 1,577 296.423,578 0.974,579 4.551,580 0.135,581 0.003,582 0.047,583 0.021,584 0.039,585 0.014,586 0.013,587 0.007,588 0.008,589 0.005,590 0.292,591 0.33,592 1,593 0.573,594 119.13,595 -0.039,596 -0.211,597 0.065,598 -0.098,599 0.027,600 -0.011,601 -0.044,602 0.074,603 -0.049,604 -0.047,605 0.04,606 -0.049,607 -0.081,608 -0.009,609 -0.014,610 0.012,611 -0.039,612 0.011,613 -0.156,614 0.043,615 -0.16,616 -0.054,617 -0.215,618 -0.098,619 0.05,620 -0.048,621 -0.045,622 -0.047,623 -0.001,624 -0.055,625 0.018,626 -0.025,627 -0.038,628 -0.081,629 0.022,630 -0.072,631 0.001,632 -0.046,633 0.017,634 0.016,635 -0.018,636 0.015,637 0.001,638 0.035,639 0.016,640 0.046,641 -0.034,642 0.036,643 1.08,644 2.57,645 0.667,646 25.5,647 0.994,648 1.142,649 1.827,650 3.338,651 0.617,652 3.296,653 3.526,654 3.738,655 3.932,656 4.159,657 4.094,658 4.143,659 4.174,660 4.19,661 4.007,662 7.558,663 0.574,664 332.5,665 3.296,666 4.779,667 5.587,668 6.415,669 7.241,670 8.077,671 8.911,672 9.752,673 10.592,674 11.438,675 7.7,677 3,684 1,688 3,693 3,695 6,712 2,714 52,716 7,717 1,718 26,720 54,721 18,722 6,723 3,724 3,730 3,731 4,734 1,740 4,743 5,745 7,746 11,750 1,758 1,759 1,760 1,761 1,764 28,765 6,766 3,767 6,773 4,777 0.667,778 2,793 3,797 1,814 3,819 2,823 1,827 24,833 9,834 3,835 2,837 1,847 3.8,852 2,854 11.667,855 9.117,856 5.528,857 3.296,858 1.369,859 1.197,860 0.956,861 6.756,862 8.309,863 3.434,864 3.861,865 4.28,866 4.695,867 5.147,868 5.158,869 5.278,870 5.37,871 5.483,872 5.19,873 0.889,874 32,875 8.903,877 3.615,878 7.458,879 17.685,881 14.304,883 1.958,884 47,885 0.001,888 294.278,889 75.55,890 70.818,892 22,895 75.55,896 316.277,897 70.818,898 10.883,899 20.667,900 82.461,902 52.458,903 1.899,904 294.278,906 294.278,907 146.368,908 22,911 223.651,912 92.626,915 91.484,916 54.883,919 294.278,920 92.818,921 75.55,924 294.278,925 36.238,926 39.312,927 54.032,928 38.785,929 294.278,930 92.818,931 75.55,933 0.553,934 0.315,935 0.168,936 0.095,937 14,938 5,939 0.148,940 8,941 1,942 1.125,943 3.922,944 174.497,945 0.125,946 16,947 108.039,951 17.522,952 9.254,953 5.356,955 92.818,956 6.053,961 3.144,963 54.032,964 462.645,965 30,973 4.399,974 0.948,975 51.665,976 59.394,977 0.259,978 0.558,979 0.794,980 0.889,981 0.916,982 0.923,983 4.64,984 1.052,985 5.501,986 3.092,987 4.205,988 4.543,989 2.001,990 6.192,991 4.086,992 5.744,993 1,994 6.974,995 2.241,996 3.434,997 4.086,998 0.623,999 6.823,1000 3.249,1001 6.989,1002 0.768,1003 8.546,1004 2.136,1005 5.673,1006 6.511,1007 1.925,1008 9.893,1009 5.443,1010 8.267,1011 0.521,1012 10.178,1013 1.759,1014 5.771,1015 6.941,1016 1.178,1017 11.398,1018 5.47,1019 9.584,1020 0.308,1021 11.852,1022 0.967,1023 7.394,1024 8.809,1025 2.027,1026 13.936,1027 7.062,1028 10.926,1029 -0.205,1030 13.554,1031 0.588,1032 7.943,1033 9.665,1034 1.663,1035 15.825,1036 7.55,1037 12.287,1038 -0.506,1039 15.277,1040 -0.441,1041 9.273,1042 11.289,1043 2.249,1044 18.172,1045 8.852,1046 2.966,1047 -0.618,1048 17.015,1049 -1.079,1050 10.067,1051 12.369,1052 2.128,1053 20.243,1054 9.598,1055 2.522,1056 9.369,1057 18.766,1058 -1.808,1059 11.255,1060 13.874,1061 2.561,1062 22.518,1063 10.757,1064 2.431,1065 6.98,1066 20.528,1067 3.921,1068 12.183,1069 15.077,1070 2.589,1071 24.676,1072 11.645,1073 2.111,1074 6.965,1075 22.298,1076 3.091,1077 13.305,1078 16.52,1079 2.935,1080 26.925,1081 12.737,1082 1.745,1083 6.211,1084 24.076,1085 2.897,1086 14.304,1087 17.792,1088 3.051,1089 29.123,1090 13.7,1091 1.618,1092 4.386,1093 25.86,1094 2.33,1095 15.397,1096 19.201,1097 3.346,1098 31.364,1099 14.763,1100 1.477,1101 3.574,1102 27.65,1103 2.059,1104 16.435,1105 20.513,1106 3.513,1107 33.582,1108 15.765,1109 7615,1110 11297,1111 17.97,1112 32.069,1113 37.076,1114 37.631,1115 37.549,1116 37.016,1117 37.039,1118 42.924,1119 7.813,1120 96.532,1121 34.798,1122 5.263,1123 5.283,1124 6.043,1125 5.024,1126 4.966,1127 6.921,1128 2.232,1129 15.798,1130 4.849,1131 6.699,1132 1.426,1133 1.447,1134 1.444,1135 1.424,1136 1.425,1137 1.651,1138 0.301,1139 3.713,1140 1.338,1141 3.992,1142 4.016,1143 3.931,1144 3.897,1145 4.917,1146 3.902,1147 3.826,1148 3.903,1149 3.725,1150 3.619,1151 4.751,1152 3.632,1153 3.681,1154 3.752,1155 3.548,1156 3.508,1157 4.593,1158 3.507,1159 3.538,1160 3.597,1161 3.387,1162 3.386,1163 4.276,1164 3.375,1165 3.286,1166 3.373,1167 3.118,1168 3.053,1169 4.072,1170 3.054,1171 3.19,1172 3.269,1173 2.997,1174 2.937,1175 3.922,1176 2.941,1177 3.061,1178 3.143,1179 2.895,1180 2.855,1181 3.817,1182 2.859,1183 2.924,1184 3.043,1185 2.706,1186 2.654,1187 3.737,1188 2.648,1189 0.165,1190 0.126,1191 0.239,1192 0.151,1193 0.114,1194 4.292,1195 0.151,1196 3.283,1197 0.049,1198 6.218,1199 0.36,1200 3.927,1201 0.11,1202 2.966,1203 3.921,1204 1.263,1205 9.369,1206 2.849,1207 1.944,1208 1.925,1209 2.067,1210 2.066,1211 1.351,1212 2.066,1213 1.757,1214 1.684,1215 1.966,1216 1.993,1217 1.232,1218 1.987,1219 1.661,1220 1.594,1221 1.899,1222 1.868,1223 1.193,1224 1.882,1225 1.535,1226 1.476,1227 1.769,1228 1.724,1229 0.996,1230 1.741,1231 1.247,1232 1.164,1233 1.57,1234 1.533,1235 0.75,1236 1.547,1237 1.164,1238 1.084,1239 1.517,1240 1.446,1241 0.569,1242 1.476,1243 1.038,1244 0.957,1245 1.336,1246 1.294,1247 0.537,1248 1.317,1249 0.904,1250 0.789,1251 1.285,1252 1.223,1253 0.492,1254 1.25,1255 3.97,1257 5.22,1259 6.673,1261 8.222,1263 9.822,1265 1.698,1271 9.062,1272 10.105,1273 11.337,1275 0.253,1280 29.837,1281 76.758,1282 165.296,1283 235.403,1284 263.668,1285 271.668,1286 273.668,1287 33.808,1288 6.939,1289 66.91,1290 66.91,1291 18,1292 12,1293 3,1294 2.322,1295 39.85,1296 110,1297 96,1298 0.172,1299 184.712,1300 323,1301 442.458,1302 10477,1304 16.615,1305 0.692,1306 0.602,1307 16.615,1308 14.437,1309 11.848,1310 0.456,1311 0.343,1312 8.761,1313 11.287,1314 8.599,1315 7.117,1316 11.848,1317 8.914,1318 9.782,1319 0.296,1320 0.189,1321 9.782,1322 6.247,1323 8.107,1324 0.198,1325 0.107,1326 8.107,1327 4.389,1328 6.412,1329 0.128,1330 0.061,1331 6.412,1332 3.026,1333 5.319,1334 0.084,1335 0.035,1336 5.319,1337 2.193,1338 0.287,1339 74.88,1340 0.236,1341 24.528,1342 0.431,1343 118,1344 316.115,1345 131.802,1346 295.148,1347 407.18,1348 282,1349 133,1350 296.529,1351 146.527,1352 295.514,1353 429.44,1354 279,1355 6} {0 CHEMBL88893,1 1.608,2 15.571,3 2.947,4 8.686,5 133.505,6 7.394,7 0.538,8 4.282,9 4.415,10 3.838,11 3.782,12 5.366,13 3.77,14 4.85,15 5.034,16 4.194,17 4.21,18 5.889,19 4.171,20 5.153,21 5.389,22 4.206,23 4.366,24 6.147,25 4.276,26 5.233,27 5.49,28 4.174,29 4.39,30 6.149,31 4.273,32 5.274,33 5.545,34 4.175,35 4.349,36 6.232,37 4.236,38 5.22,39 5.486,40 4.114,41 4.28,42 6.214,43 4.177,44 5.137,45 5.404,46 4.046,47 4.204,48 6.191,49 4.087,50 5.036,51 5.32,52 3.857,53 4.085,54 5.94,55 3.961,56 0.099,57 1.142,58 13.742,59 5.833,60 17.339,61 7.755,62 0.329,63 1.867,64 26.664,65 9.824,66 38.667,67 13.375,68 0.641,69 2.263,70 39.534,71 13.674,72 73.346,73 19.017,74 0.497,75 2.276,76 43.328,77 15.285,78 67.61,79 21.776,80 0.686,81 2.328,82 47.149,83 15.847,84 97.52,85 22.31,86 0.799,87 2.213,88 45.109,89 14.308,90 103.807,91 19.919,92 0.914,93 2.029,94 41.338,95 13.169,96 114.569,97 18.882,98 0.561,99 1.851,100 37.386,101 11.629,102 70.704,103 16.837,104 11,105 54,106 0.255,107 0.62,108 0.805,109 0.856,110 0.856,111 0.856,112 3.588,113 0.925,114 -5.06,115 -4.95,116 -4.64,119 40,121 3,125 4,127 3,140 7,141 3,142 2,149 1,150 1,158 2,164 1,169 8,171 2,172 4,176 6,178 9,182 3,185 1,186 6,189 6,193 6,195 1,197 4,199 4,203 6,206 1,208 4,211 7,215 4,218 1,222 6,226 5,229 3,231 1,233 2,236 1,237 3,242 3,244 2,254 1,256 3,259 2320,260 24.057,261 24.057,262 24.057,263 24.057,264 24.057,265 21.618,266 28.723,267 14.184,268 24.593,269 19.217,270 19.217,271 19.217,272 19.217,273 19.217,274 15.613,275 38.391,276 6.7,277 20.159,278 4.414,279 2.109,280 0.941,281 0.615,282 0.615,283 0.615,284 4.295,289 1,290 1205,291 3.808,294 194.146,295 369.931,298 166.349,302 2.433,303 39.502,306 1,307 0.83,308 0.83,309 0.8,310 0.5,311 1,312 1,313 0.85,314 77,315 545,316 4.571,317 3.243,318 6.572,319 4.106,320 3.126,321 4.519,322 0.8,323 10.462,324 3.068,325 4.132,326 3.198,327 6.162,328 3.865,329 2.892,330 3.732,331 0.657,332 9.13,333 2.816,334 4.131,335 3.027,336 6.098,337 3.703,338 2.766,339 3.675,341 8.896,342 2.59,343 3.723,344 2.877,345 5.56,346 3.599,347 2.655,348 2.899,350 7.585,351 2.508,352 3.604,353 2.837,354 5.305,355 3.342,356 2.397,357 2.846,359 6.805,360 2.25,361 3.465,362 2.642,363 5.136,364 3.192,365 2.247,366 2.666,368 6.213,369 2.107,370 3.288,371 2.309,372 5.011,373 2.987,374 2.031,375 2.59,377 5.958,378 1.935,379 3.214,380 2.037,381 4.654,382 2.755,383 1.809,384 2.312,386 4.87,387 1.704,388 2.905,389 1.787,390 4.507,391 2.652,392 1.705,393 1.957,395 4.647,396 1.599,397 2.694,398 1.692,399 4.228,400 2.364,401 1.413,402 1.767,404 3.736,405 1.332,406 2.59,407 1.286,408 4.071,409 2.203,410 1.236,411 1.6,413 3.304,414 1.191,415 2.5,416 1.077,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.382,425 1,426 3.414,427 1.984,428 1,429 1.33,431 2.275,432 0.983,433 2.118,434 0.992,435 3.34,436 1.882,437 0.921,438 1,440 2.145,441 0.883,442 2.075,443 0.974,444 3.209,445 1.583,446 0.63,447 0.927,449 1.545,450 0.599,451 16.305,452 0.466,453 0.759,454 0.022,455 41.25,456 1.179,457 18,458 0.514,459 23.25,460 0.664,461 33.697,462 0.963,463 38.895,464 0.598,465 31.945,466 0.913,467 8.193,468 0.234,469 8.892,470 0.254,471 0.055,473 0.325,474 1,477 1,479 0.698,480 1.175,481 0.777,482 1.105,483 0.608,484 0.987,485 0.885,486 1.072,487 0.961,488 1.044,489 0.723,490 1.018,491 0.949,492 0.991,493 1.064,494 1.041,495 0.901,496 1.068,497 0.726,498 0.964,499 0.959,500 1.101,501 0.658,502 1.086,503 0.904,504 0.977,505 0.911,506 1.02,507 0.965,508 0.986,509 1.154,510 0.965,511 1.029,512 0.958,513 1.204,514 0.97,515 0.853,516 0.924,517 0.984,518 0.998,519 0.929,520 1.025,521 0.957,522 0.97,523 1.02,524 0.969,525 0.898,526 0.992,527 7,528 0.157,529 3.778,530 1.757,531 1.663,532 1.156,533 0.688,534 0.454,535 0.318,536 0.243,537 21867,538 60381,539 2.141,540 46.2,542 18,543 1,544 2,545 3,547 2,548 4,550 1.761,551 2.039,552 3.893,553 0.82,559 104.526,560 1.608,561 3.913,562 5.081,563 5.407,564 5.407,565 5.407,566 3.365,567 4.729,568 5.102,569 4.096,570 2437.31,571 8.922,572 40638.1,577 391.454,578 1.271,579 5.076,580 0.179,581 0.005,582 0.07,583 0.034,584 0.034,585 0.024,586 0.015,587 0.011,588 0.009,589 0.008,590 0.39,591 0.17,592 0.75,593 0.597,594 194.004,595 -0.031,596 -0.096,597 0.044,598 -0.012,599 -0.034,600 0.021,601 -0.09,602 -0.027,603 -0.073,604 -0.015,605 -0.031,606 -0.035,607 -0.059,608 0.024,609 -0.115,610 -0.027,611 -0.033,612 -0.07,613 -0.012,614 -0.094,615 -0.02,616 -0.096,617 0.014,618 -0.066,619 0.015,620 -0.072,621 0.08,622 -0.024,623 -0.008,624 0.028,625 -0.075,626 -0.011,627 -0.014,628 0.02,629 -0.087,630 0.016,631 0.129,632 0.011,633 0.016,634 -0.023,635 0.057,636 -0.034,637 -0.068,638 -0.039,639 -0.023,640 -0.014,641 -0.047,642 -0.005,643 2.304,644 7.108,645 0.743,646 43.853,647 1.007,648 1.143,649 3.825,650 14.634,651 0.65,652 3.689,653 4.007,654 4.277,655 4.533,656 4.718,657 4.796,658 4.934,659 5.043,660 5.081,661 5.13,662 9.043,663 0.622,664 480.62,665 3.689,666 5.231,667 6.08,668 6.952,669 7.815,670 8.69,671 9.559,672 10.435,673 11.308,674 12.186,675 9.2,677 1,678 1,683 2,685 2,687 2,688 10,689 2,690 1,693 4,694 1,695 21,713 1,714 65,716 21,717 2,718 39,720 69,721 26,722 16,723 5,724 7,728 1,730 5,731 6,736 1,740 3,743 6,745 16,746 10,762 2,764 30,765 7,766 3,767 9,773 6,777 0.8,778 1,779 1,788 1,792 2,793 3,796 1,814 1,815 1,817 1,819 4,825 2,827 35,832 1,833 7,834 1,837 3,838 1,844 1,846 2,847 1.5,848 1,854 17.167,855 11.119,856 7.694,857 3.902,858 3.521,859 1.423,860 0.986,861 7.424,862 11.843,863 3.922,864 4.5,865 5.077,866 5.655,867 6.102,868 6.438,869 6.858,870 7.256,871 7.449,872 7.679,873 1,874 52,875 13.053,877 5.695,878 7.829,879 24.981,881 21.177,883 2.329,884 81.5,888 317.82,889 131.684,890 73.146,892 42.683,893 29.92,895 131.684,896 360.503,897 103.066,899 16.1,900 136.075,901 74.105,902 42.631,903 43.835,904 282.506,906 317.82,907 204.83,908 72.604,911 277.113,912 70.627,913 42.683,915 73.157,916 98.347,917 33.326,919 347.74,920 115.829,921 131.684,924 319.999,925 36.887,926 97.642,927 34.796,928 105.93,929 317.82,930 145.749,931 131.684,933 0.579,934 0.338,935 0.183,936 0.097,937 26,938 11,939 0.13,940 9,941 1,942 1.077,943 4.759,944 323.584,945 0.077,946 26,947 167.525,951 23.927,952 10.86,953 5.723,954 1.994,955 127.065,956 17.414,957 7.711,958 3.245,961 2.48,962 1.832,963 77.48,964 595.253,965 49.5,975 65.45,976 74.276,977 0.267,978 0.65,979 0.844,980 0.898,981 0.898,982 0.898,983 5.16,984 1.809,985 6.052,986 5.958,987 4.691,988 5.187,989 1.038,990 6.836,991 4.601,992 6.34,993 1.705,994 7.591,995 4.87,996 4.205,997 4.89,998 0.325,999 7.662,1000 4.056,1001 7.628,1002 1.413,1003 9.226,1004 4.647,1005 6.263,1006 7.349,1007 0.607,1008 10.737,1009 6.098,1010 8.951,1011 1.236,1012 10.916,1013 3.736,1014 6.608,1015 7.961,1016 0.268,1017 12.401,1018 6.395,1019 10.308,1020 1,1021 12.644,1022 3.304,1023 8.098,1024 9.849,1025 0.359,1026 14.973,1027 7.872,1028 11.69,1029 1,1030 14.398,1031 2.275,1032 8.827,1033 10.904,1034 0.188,1035 16.995,1036 8.566,1037 13.092,1038 0.921,1039 16.171,1040 2.275,1041 10.086,1042 12.557,1043 0.214,1044 19.394,1045 9.81,1046 3.126,1047 0.63,1048 17.959,1049 2.145,1050 11.004,1051 13.836,1052 0.125,1053 21.577,1054 10.703,1055 2.892,1056 10.462,1057 19.758,1058 1.545,1059 12.165,1060 15.391,1061 0.129,1062 23.916,1063 11.85,1064 2.766,1065 9.13,1066 21.568,1067 4.519,1068 13.177,1069 16.781,1070 0.082,1071 26.173,1072 12.842,1073 2.655,1074 8.896,1075 23.385,1076 3.732,1077 14.299,1078 18.297,1079 0.079,1080 28.495,1081 13.95,1082 2.397,1083 7.585,1084 25.209,1085 3.675,1086 15.358,1087 19.742,1088 0.054,1089 30.787,1090 14.993,1091 2.247,1092 6.805,1093 27.039,1094 2.899,1095 16.468,1096 21.244,1097 0.048,1098 33.108,1099 16.089,1100 2.031,1101 6.213,1102 28.874,1103 2.846,1104 17.552,1105 22.717,1106 0.035,1107 35.419,1108 17.159,1109 20194,1110 33698,1111 26.641,1112 42.262,1113 58.516,1114 58.768,1115 59.194,1116 57.971,1117 57.908,1118 73.463,1119 2.915,1120 164.331,1121 55.147,1122 5.571,1123 5.243,1124 6.169,1125 5.166,1126 5.126,1127 7.519,1128 1.457,1129 17.208,1130 5.068,1131 14.262,1132 1.5,1133 1.507,1134 1.518,1135 1.486,1136 1.485,1137 1.884,1138 0.075,1139 4.214,1140 1.414,1141 4.155,1142 4.193,1143 4.115,1144 4.062,1145 8.202,1146 4.07,1147 3.964,1148 4.008,1149 3.896,1150 3.874,1151 8.19,1152 3.874,1153 3.853,1154 3.915,1155 3.793,1156 3.701,1157 6.456,1158 3.703,1159 3.82,1160 3.888,1161 3.737,1162 3.585,1163 5.135,1164 3.623,1165 3.575,1166 3.639,1167 3.47,1168 3.394,1169 4.925,1170 3.404,1171 3.442,1172 3.499,1173 3.323,1174 3.253,1175 4.646,1176 3.26,1177 3.281,1178 3.346,1179 3.182,1180 3.112,1181 4.362,1182 3.119,1183 3.111,1184 3.206,1185 2.911,1186 2.941,1187 4.252,1188 2.91,1189 0.117,1190 0.083,1191 0.169,1192 0.105,1193 0.08,1194 4.571,1195 0.116,1196 3.243,1197 0.021,1198 6.572,1199 0.268,1200 4.106,1201 0.079,1202 3.126,1203 4.519,1204 0.8,1205 10.462,1206 3.068,1207 1.96,1208 1.936,1209 2.073,1210 2.071,1211 1.426,1212 2.076,1213 1.926,1214 1.895,1215 2.035,1216 2.048,1217 1.256,1218 2.045,1219 1.828,1220 1.77,1221 1.995,1222 1.981,1223 1.185,1224 1.987,1225 1.654,1226 1.602,1227 1.837,1228 1.831,1229 1.084,1230 1.836,1231 1.43,1232 1.368,1233 1.644,1234 1.683,1235 0.825,1236 1.668,1237 1.393,1238 1.327,1239 1.565,1240 1.64,1241 0.82,1242 1.624,1243 1.295,1244 1.234,1245 1.513,1246 1.511,1247 0.74,1248 1.512,1249 1.153,1250 1.064,1251 1.481,1252 1.442,1253 0.581,1254 1.429,1255 4.369,1257 5.687,1258 3.045,1259 7.186,1260 5.283,1261 8.766,1262 7.286,1263 10.391,1267 28.314,1270 9.792,1271 4.033,1272 3.481,1275 -0.969,1276 2.173,1280 40.458,1281 104.526,1282 254.341,1283 330.293,1284 351.454,1285 351.454,1286 351.454,1287 72.062,1288 8.322,1289 82,1290 82,1291 28,1292 12.725,1293 4.459,1294 3.524,1295 52.63,1296 194,1297 185,1298 0.13,1299 244.016,1300 416.13,1301 587.159,1302 59128,1303 3.1,1304 24.2,1305 0.691,1306 0.556,1307 22.46,1308 19.447,1309 17.085,1310 0.438,1311 0.308,1312 11.826,1313 16.295,1314 11.661,1315 9.55,1316 16.297,1317 12.026,1318 15.266,1319 0.283,1320 0.171,1321 13.999,1322 9.243,1323 12.964,1324 0.183,1325 0.096,1326 12.299,1327 6.845,1328 10.793,1329 0.117,1330 0.054,1331 10.246,1332 4.929,1333 8.444,1334 0.076,1335 0.031,1336 7.917,1337 3.461,1338 0.212,1339 107.998,1340 0.194,1341 33.021,1342 0.333,1343 186,1344 599.618,1345 206.258,1346 528.338,1347 707.44,1348 496,1349 218,1350 503.902,1351 238.096,1352 499.854,1353 727.73,1354 471,1355 8.812} {0 CHEMBL89007,1 1.602,2 12.565,3 3.29,4 10.827,5 95.86,6 7.565,7 0.48,8 3.878,9 4.008,10 3.459,11 3.401,12 4.901,13 3.369,14 4.427,15 4.61,16 3.788,17 3.77,18 5.406,19 3.706,20 4.717,21 4.965,22 3.776,23 3.861,24 5.596,25 3.752,26 4.65,27 4.916,28 3.476,29 3.751,30 5.427,31 3.603,32 4.563,33 4.844,34 3.348,35 3.652,36 5.291,37 3.486,38 4.488,39 4.775,40 3.252,41 3.564,42 5.217,43 3.387,44 4.381,45 4.665,46 3.201,47 3.462,48 5.153,49 3.292,50 4.236,51 4.507,52 3.123,53 3.371,54 5.012,55 3.213,56 0.045,57 0.652,58 9.337,59 3.943,60 7.651,61 5.39,62 0.165,63 1.006,64 18.55,65 6.557,66 20.115,67 9.217,68 0.405,69 1.166,70 28.575,71 8.683,72 36.292,73 12.427,74 0.332,75 1.079,76 26.369,77 8.185,78 29.432,79 11.808,80 0.267,81 0.988,82 23.82,83 7.644,84 25.502,85 11.363,86 0.238,87 0.9,88 23.032,89 7.289,90 24.317,91 10.702,92 0.295,93 0.796,94 21.91,95 6.471,96 24.701,97 9.462,98 0.178,99 0.705,100 18.79,101 5.607,102 18.549,103 8.162,104 2,105 32,106 0.281,107 0.599,108 0.786,109 0.902,110 0.91,111 0.91,112 3.186,113 1.005,114 -4.33,115 -4.27,116 -4.03,119 38.6,121 3,125 3,127 1,140 6,141 1,142 1,145 2,164 1,169 7,172 6,174 1,176 3,178 7,182 6,184 2,186 2,189 6,193 2,196 1,197 1,199 4,203 2,208 3,211 3,218 1,220 3,222 1,229 2,231 3,233 3,242 1,244 2,248 1,249 2,254 3,256 2,259 740,260 15.913,261 15.913,262 15.913,263 15.913,264 15.913,265 14.386,266 22.686,267 9.884,268 16.388,269 12.387,270 12.387,271 12.387,272 12.387,273 12.387,274 10.183,275 31.482,276 4.776,277 13.219,278 3.857,279 2.043,280 0.978,281 0.318,282 0.273,283 0.273,284 3.877,286 1,287 1,288 1,289 1,290 627,291 2.915,295 216.961,299 112.814,302 1.883,303 15.639,305 1,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 49.333,315 289,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 0.86,323 9.226,324 2.805,325 4.011,326 2.951,327 5.412,328 3.541,329 2.619,330 3.614,331 0.4,332 7.154,333 2.41,334 3.427,335 2.559,336 5.257,337 3.259,338 2.304,339 2.708,340 0.4,341 6.678,342 2.19,343 3.387,344 2.531,345 4.889,346 2.979,347 2.119,348 2.443,350 5.696,351 1.775,352 2.928,353 1.981,354 4.415,355 2.65,356 1.699,357 2.077,359 4.371,360 1.591,361 2.864,362 1.862,363 3.786,364 2.589,365 1.618,366 1.988,368 3.507,369 1.559,370 2.711,371 1.494,372 3.616,373 2.398,374 1.414,375 1.718,377 3.013,378 1.385,379 2.5,380 1.36,381 3.414,382 2.026,383 1.096,384 1.5,386 2.335,387 1.012,388 2.155,389 1,390 3.324,391 1.983,392 1,393 1.142,395 2.275,396 0.982,397 1.891,398 0.808,399 3.151,400 1.674,401 0.701,402 0.811,404 1.604,405 0.678,406 1.501,407 0.716,408 2.813,409 1.317,410 0.397,411 0.425,413 0.882,414 0.356,415 1.111,416 0.365,417 2.375,418 0.822,419 -0.075,420 -0.084,422 -0.166,423 -0.059,424 0.812,425 -0.084,426 2.167,427 0.522,428 -0.384,429 -0.433,431 -0.862,432 -0.321,433 0.689,434 -0.305,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.577,441 -0.595,442 0.5,443 -0.414,444 2,445 0.179,446 -0.727,447 -0.804,449 -1.646,450 -0.618,451 11.148,452 0.485,453 0.362,454 0.016,455 27.75,456 1.207,457 13,458 0.565,459 14.75,460 0.641,461 18.291,462 0.795,463 25.452,464 0.578,465 16.499,466 0.717,467 5.358,468 0.233,469 5.952,470 0.259,471 0.064,473 0.224,479 0.796,480 1.296,481 0.673,482 1.044,483 0.688,484 0.974,485 0.961,486 1.262,487 0.789,488 1.127,489 0.722,490 1.081,491 1.124,492 0.941,493 0.836,494 0.912,495 0.881,496 0.93,497 1.158,498 0.926,499 0.897,500 0.943,501 1.019,502 1.02,503 0.779,504 0.995,505 0.725,506 0.965,507 0.741,508 1.013,509 0.791,510 0.955,511 0.823,512 0.961,513 0.794,514 0.999,515 0.872,516 0.859,517 0.964,518 0.922,519 0.908,520 0.963,521 0.963,522 0.991,523 1.039,524 1.011,525 1.053,526 1.02,527 3.5,528 0.045,529 1.778,530 0.563,531 0.858,532 0.264,533 0.181,534 0.099,535 0.123,536 0.077,537 7253,538 19871,539 2.119,540 47.7,541 2,542 13,545 2,547 2,548 2,550 1.644,551 2.06,552 3.609,553 0.321,554 1,555 1,557 1,559 70.489,560 1.602,561 3.417,562 4.482,563 5.141,564 5.187,565 5.187,566 3.067,567 4.176,568 4.499,569 3.768,570 953.387,571 7.675,572 12019.5,574 1,576 1,577 240.215,578 0.998,579 4.488,580 0.14,581 0.003,582 0.056,583 0.019,584 0.039,585 0.014,586 0.011,587 0.006,588 0.008,589 0.005,590 0.3,591 0.33,592 1,593 0.393,594 112.638,595 0.018,596 -0.037,597 0.03,598 -0.026,599 0.054,600 0.008,601 0.02,602 -0.132,603 -0.01,604 -0.151,605 0.126,606 -0.119,607 0.016,608 0.028,609 0.03,610 0.029,611 0.086,612 0.023,613 -0.139,614 0.027,615 -0.086,616 -0.017,617 -0.143,618 -0.068,619 0.004,620 -0.065,621 0.02,622 -0.035,623 -0.009,624 -0.038,625 -0.002,626 -0.043,627 0.01,628 -0.019,629 -0.009,630 -0.019,631 0.04,632 0.053,633 -0.018,634 0.027,635 -0.015,636 0.011,637 -0.098,638 -0.053,639 -0.067,640 -0.042,641 -0.156,642 -0.036,643 1.258,644 2.51,645 0.696,646 21.573,647 1,648 1.134,649 3.105,650 9.639,651 0.663,652 3.258,653 3.497,654 3.689,655 3.871,656 4.094,657 3.97,658 3.951,659 3.97,660 3.989,661 3.784,662 7.354,663 0.622,664 332.87,665 3.258,666 4.745,667 5.549,668 6.375,669 7.195,670 8.026,671 8.853,672 9.686,673 10.517,674 11.353,675 9.1,677 1,680 1,685 2,688 6,689 2,693 4,695 12,707 1,712 1,713 1,714 44,716 12,717 1,718 25,720 46,721 17,722 10,723 2,724 4,730 3,731 4,732 1,740 3,743 4,745 10,746 7,760 1,761 1,764 21,765 5,766 2,767 6,768 1,773 4,777 0.667,778 1,785 1,793 3,797 1,814 1,819 2,824 1,827 23,833 6,834 2,835 1,837 1,846 1,847 2.3,852 1,854 11.167,855 7.543,856 5.194,857 2.759,858 2.037,859 1.299,860 0.971,861 5.944,862 8.858,863 3.466,864 3.951,865 4.407,866 4.854,867 5.336,868 5.147,869 5.164,870 5.299,871 5.407,872 5.089,873 1,874 30,875 8.475,877 3.47,878 7.57,879 16.553,881 13.363,883 2.07,884 47.611,887 1,888 223.651,889 84.607,890 69.348,891 39.149,892 11,895 84.607,896 273.799,897 69.348,899 13.921,900 74.868,901 51.337,902 19.429,903 44.548,904 223.651,906 223.651,907 153.954,908 11,909 39.149,911 176.567,912 58.084,915 31.931,916 70.686,917 51.337,918 39.149,919 223.651,920 80.347,921 123.756,924 223.651,925 27.749,926 56.857,927 36.022,928 83.475,929 223.651,930 80.347,931 123.756,933 0.56,934 0.312,935 0.163,936 0.094,937 14,938 5,939 0.152,940 7,941 1,942 1.125,943 3.84,944 163.928,945 0.125,946 16,947 104.042,951 16.342,952 8.366,953 4.979,955 80.347,956 11.852,957 7.752,961 3.512,963 36.022,964 427.754,965 31,975 44.011,976 49.883,977 0.293,978 0.626,979 0.821,980 0.942,981 0.95,982 0.95,983 4.654,984 1.096,985 5.468,986 3.013,987 4.174,988 4.635,989 1.138,990 6.151,991 4.051,992 5.782,993 1,994 6.938,995 2.335,996 3.434,997 4.111,999 6.763,1000 3.162,1001 7.027,1002 0.701,1003 8.505,1004 2.275,1005 5.638,1006 6.662,1007 0.787,1008 9.82,1009 5.403,1010 8.304,1011 0.397,1012 10.132,1013 1.604,1014 5.74,1015 6.979,1017 11.312,1018 5.375,1019 9.616,1020 -0.075,1021 11.8,1022 0.882,1023 7.352,1024 8.981,1025 0.602,1026 13.838,1027 7.014,1028 10.95,1029 -0.384,1030 13.496,1031 -0.166,1032 7.892,1033 9.716,1035 15.717,1036 7.457,1037 12.304,1038 -0.618,1039 15.213,1040 -0.862,1041 9.217,1042 11.447,1043 0.471,1044 18.049,1045 8.789,1046 2.923,1047 -0.727,1048 16.947,1049 -1.577,1050 9.997,1051 12.412,1053 20.109,1054 9.495,1055 2.619,1056 9.226,1057 18.694,1058 -1.646,1059 11.179,1060 13.99,1061 0.367,1062 22.368,1063 10.668,1064 2.304,1065 7.154,1066 20.452,1067 3.815,1068 12.09,1069 15.09,1071 24.513,1072 11.52,1073 2.119,1074 6.678,1075 22.218,1076 3.614,1077 13.203,1078 16.574,1079 0.283,1080 26.745,1081 12.614,1082 1.699,1083 5.696,1084 23.992,1085 2.708,1086 14.184,1087 17.757,1089 28.929,1090 13.546,1091 1.618,1092 4.371,1093 25.773,1094 2.443,1095 15.265,1096 19.184,1097 0.217,1098 31.153,1099 14.601,1100 1.414,1101 3.507,1102 27.558,1103 2.077,1104 16.284,1105 20.418,1107 33.356,1108 15.576,1109 6873,1110 11550,1111 17.277,1112 29.188,1113 35.927,1114 36.423,1115 36.2,1116 36.006,1117 35.778,1118 44.485,1119 3.32,1120 93.481,1121 33.482,1122 5.184,1123 5.256,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 1.72,1129 15.535,1130 4.805,1131 6.547,1132 1.437,1133 1.457,1134 1.448,1135 1.44,1136 1.431,1137 1.779,1138 0.133,1139 3.739,1140 1.339,1141 3.984,1142 4.012,1143 3.97,1144 3.897,1145 5.145,1146 3.896,1147 3.856,1148 3.911,1149 3.909,1150 3.701,1151 4.86,1152 3.716,1153 3.676,1154 3.745,1155 3.57,1156 3.516,1157 4.5,1158 3.512,1159 3.516,1160 3.578,1161 3.43,1162 3.381,1163 4.385,1164 3.367,1165 3.24,1166 3.331,1167 3.262,1168 3.036,1169 4.197,1170 3.031,1171 3.022,1172 3.094,1173 3.006,1174 2.834,1175 3.987,1176 2.833,1177 2.862,1178 2.92,1179 2.809,1180 2.713,1181 3.826,1182 2.706,1183 2.712,1184 2.778,1185 2.642,1186 2.568,1187 3.808,1188 2.552,1189 0.169,1190 0.13,1191 0.247,1192 0.155,1193 0.117,1194 4.228,1195 0.153,1196 3.256,1197 0.034,1198 6.183,1199 0.369,1200 3.882,1201 0.112,1202 2.923,1203 3.815,1204 0.86,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.776,1214 1.727,1215 1.94,1216 1.969,1217 1.212,1218 1.959,1219 1.654,1220 1.592,1221 1.819,1222 1.845,1223 0.998,1224 1.849,1225 1.525,1226 1.465,1227 1.753,1228 1.692,1229 0.836,1230 1.719,1231 1.221,1232 1.137,1233 1.521,1234 1.473,1235 0.738,1236 1.496,1237 0.985,1238 0.912,1239 1.296,1240 1.242,1241 0.508,1242 1.266,1243 0.845,1244 0.787,1245 1.133,1246 1.058,1247 0.245,1248 1.083,1249 0.699,1250 0.637,1251 1.001,1252 0.907,1253 0.151,1254 0.944,1255 3.932,1257 5.187,1259 6.64,1261 8.185,1263 9.779,1266 5.696,1271 5.845,1272 6.679,1273 6.01,1275 0.264,1280 27.369,1281 70.489,1282 150.335,1283 197.195,1284 226.215,1285 228.215,1286 228.215,1287 30.83,1288 6.821,1289 59.07,1290 59.07,1291 18,1292 11.923,1293 3.7,1294 2.807,1295 37.428,1296 104,1297 91,1298 0.171,1299 173.602,1300 295.94,1301 415.349,1302 9239,1303 2.3,1304 15.908,1305 0.692,1306 0.597,1307 16.408,1308 13.721,1309 11.31,1310 0.452,1311 0.335,1312 7.923,1313 10.62,1314 7.77,1315 6.419,1316 11.598,1317 8.373,1318 9.601,1319 0.3,1320 0.187,1321 10.009,1322 5.999,1323 7.758,1324 0.199,1325 0.104,1326 8.047,1327 4.044,1328 6.07,1329 0.129,1330 0.058,1331 6.237,1332 2.728,1333 5.122,1334 0.087,1335 0.033,1336 5.358,1337 1.97,1338 0.285,1339 73.712,1340 0.241,1341 23.667,1342 0.425,1343 114,1344 319.895,1345 140.982,1346 338.428,1347 455.44,1348 318,1349 128,1350 315.505,1351 149.23,1352 324.787,1353 469.26,1354 307,1355 8.699} {0 CHEMBL89427,1 1.559,2 11.143,3 2.493,4 6.215,5 88.6,6 7.225,7 0.478,8 3.825,9 3.952,10 3.427,11 3.39,12 4.785,13 3.323,14 4.384,15 4.567,16 3.742,17 3.754,18 5.28,19 3.656,20 4.638,21 4.891,22 3.564,23 3.786,24 5.409,25 3.643,26 4.584,27 4.847,28 3.386,29 3.717,30 5.314,31 3.545,32 4.514,33 4.792,34 3.245,35 3.639,36 5.188,37 3.439,38 4.423,39 4.712,40 3.158,41 3.508,42 5.1,43 3.307,44 4.289,45 4.577,46 3.068,47 3.384,48 4.99,49 3.191,50 4.149,51 4.429,52 2.982,53 3.303,54 4.846,55 3.114,56 0.04,57 0.631,58 10.146,59 4.163,60 6.466,61 5.493,62 0.184,63 1.023,64 20.354,65 6.794,66 15.626,67 9.277,68 0.306,69 1.135,70 26.558,71 8.873,72 24.024,73 12.041,74 0.289,75 1.079,76 25.413,77 8.434,78 22.2,79 11.475,80 0.201,81 0.999,82 23.861,83 8.227,84 17.989,85 11.301,86 0.216,87 0.911,88 22.482,89 7.335,90 18.167,91 10.278,92 0.208,93 0.789,94 18.876,95 6.35,96 16.718,97 8.89,98 0.149,99 0.707,100 17.25,101 5.677,102 13.144,103 7.715,105 29,106 0.277,107 0.618,108 0.808,109 0.899,110 0.907,111 0.907,112 3.101,113 1.093,114 -3.64,115 -3.61,116 -3.44,119 38.1,121 3,125 3,127 1,140 4,141 1,142 1,143 1,149 1,160 1,169 6,172 4,174 1,176 3,178 6,182 3,184 1,186 1,189 5,193 2,196 1,197 1,199 4,203 1,208 2,211 2,218 1,220 3,222 1,229 1,231 2,233 2,242 1,244 2,248 1,249 2,254 2,256 2,259 584,260 14.759,261 14.759,262 14.759,263 14.759,264 14.759,265 13.386,266 21.084,267 9.298,268 15.303,269 11.421,270 11.421,271 11.421,272 11.421,273 11.421,274 9.445,275 30.841,276 4.49,277 12.329,278 3.833,279 1.914,280 0.845,281 0.333,282 0.286,283 0.286,284 3.792,287 1,288 1,289 1,290 512,291 2.828,294 64.98,295 116.613,299 99.049,302 1.769,303 11.696,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 44.5,315 234,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 0.86,323 9.226,324 2.805,325 3.92,326 2.677,327 5.352,328 3.389,329 2.542,330 3.479,331 0.4,332 6.997,333 2.192,334 3.388,335 2.554,336 5.257,337 3.258,338 2.303,339 2.443,340 0.4,341 6.678,342 2.144,343 2.928,344 1.988,345 4.415,346 2.698,347 1.746,348 2.077,350 4.371,351 1.657,352 2.872,353 1.878,354 3.813,355 2.59,356 1.618,357 1.99,359 3.565,360 1.566,361 2.8,362 1.566,363 3.621,364 2.404,365 1.428,366 1.852,368 3.029,369 1.39,370 2.578,371 1.447,372 3.491,373 2.233,374 1.312,375 1.593,377 2.784,378 1.199,379 2.118,380 1.086,381 3.209,382 1.895,383 0.957,384 1.055,386 2.055,387 0.89,388 2.084,389 0.803,390 3.099,391 1.653,392 0.686,393 0.927,395 1.569,396 0.659,397 1.881,398 0.618,399 3,400 1.416,401 0.618,402 0.798,404 1.372,405 0.486,406 1.371,407 0.508,408 2.686,409 1.203,410 0.28,411 0.3,413 0.623,414 0.256,415 0.874,416 -0.075,417 2.306,418 0.654,419 -0.284,420 -0.312,422 -0.664,423 -0.264,424 0.689,425 -0.306,426 2.095,427 0.352,428 -0.618,429 -0.729,431 -1.487,432 -0.595,433 0.517,434 -0.427,435 2,436 0.277,437 -0.661,438 -0.733,440 -1.606,441 -0.615,442 0.218,443 -0.913,444 1.747,445 -0.092,446 -1.055,447 -1.24,449 -2.557,450 -1.008,451 10.367,452 0.494,453 0.256,454 0.012,455 24.5,456 1.167,457 11,458 0.524,459 13.5,460 0.643,461 17.067,462 0.813,463 23.233,464 0.553,465 13.088,466 0.623,467 4.528,468 0.216,469 5.888,470 0.28,473 0.193,479 0.973,480 1.279,481 0.811,482 1.001,483 0.875,484 0.988,485 1.187,486 1.198,487 0.997,488 1.127,489 1.048,490 1.086,491 1.349,492 0.95,493 0.922,494 0.901,495 1.114,496 0.953,497 1.362,498 0.885,499 1.019,500 0.921,501 1.247,502 1.02,503 0.974,504 0.992,505 0.962,506 0.976,507 0.996,508 1.042,509 0.82,510 0.966,511 0.923,512 0.98,513 0.86,514 0.999,515 0.822,516 0.948,517 0.831,518 0.868,519 0.835,520 0.945,521 0.971,522 0.895,523 1.025,524 0.939,525 1.05,526 0.946,527 2.5,528 0.04,529 1.333,530 0.535,531 0.641,532 0.198,533 0.136,534 0.065,535 0.097,536 0.047,537 5656,538 13628,539 2.161,540 50,541 2,542 11,543 1,544 1,545 2,547 2,548 2,550 1.619,551 2.136,552 3.451,553 0.331,554 1,555 1,557 1,559 65.484,560 1.559,561 3.479,562 4.547,563 5.059,564 5.107,565 5.107,566 2.915,567 4.107,568 4.366,569 3.632,570 762.73,571 7.413,572 8858.5,573 1,574 1,576 1,577 226.477,578 0.702,579 4.371,580 0.109,581 0.003,582 0.046,583 0.021,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.248,591 0.33,592 1,594 99.051,595 -0.033,596 -0.089,597 0.078,598 0.02,599 0.039,600 0.027,601 -0.008,602 -0.092,603 -0.025,604 -0.129,605 0.014,606 -0.111,607 -0.043,608 -0.015,609 -0.037,610 -0.007,611 0.001,612 -0.008,613 -0.158,614 0.058,615 -0.128,616 -0.028,617 -0.183,618 -0.078,619 -0.086,620 -0.079,621 -0.074,622 -0.061,623 -0.109,624 -0.074,625 0.038,626 -0.059,627 -0.009,628 -0.062,629 0.015,630 -0.034,631 0.091,632 -0.048,633 0.038,634 0.016,635 0.065,636 0.01,637 -0.095,638 0.057,639 -0.045,640 0.02,641 -0.143,642 0.022,643 1.035,644 2.511,645 0.714,646 18.83,647 0.992,648 1.128,649 2.414,650 5.827,651 0.666,652 3.178,653 3.401,654 3.611,655 3.807,656 3.912,657 3.85,658 3.871,659 3.892,660 3.912,661 3.689,662 6.745,663 0.612,664 303.47,665 3.178,666 4.654,667 5.46,668 6.282,669 7.102,670 7.932,671 8.759,672 9.592,673 10.423,674 11.259,675 7.1,677 1,680 1,685 1,688 6,689 1,692 1,693 3,695 11,707 1,712 1,714 42,716 11,717 1,718 23,720 44,721 16,722 9,723 2,724 4,730 3,731 4,740 3,743 4,745 9,746 7,760 1,761 1,764 21,765 4,766 2,767 5,768 1,773 3,777 0.667,778 1,792 1,793 2,797 1,814 1,819 2,821 1,827 21,833 6,834 2,835 1,837 1,841 1,847 2.4,852 1,854 9.833,855 7.117,856 4.778,857 2.631,858 1.764,859 1.267,860 0.983,861 5.465,862 8.373,863 3.384,864 3.845,865 4.306,866 4.757,867 4.978,868 4.903,869 5.03,870 5.182,871 5.304,872 4.944,873 1,874 25,875 7.777,877 3.185,878 7.437,879 15.447,881 12.608,883 1.937,884 40.667,885 0.001,887 1,888 223.651,889 108.73,890 52.807,892 11,894 31.278,895 77.452,896 234.651,897 52.807,899 13.921,900 63.565,901 46.567,902 28.977,903 11.771,904 231.386,906 223.651,907 130.259,908 11,909 31.278,911 176.567,912 58.084,915 41.48,916 53.983,917 34.796,918 31.278,919 223.651,920 63.807,921 108.73,924 223.651,925 54.128,926 54.601,927 36.022,928 27.785,929 223.651,930 63.807,931 108.73,933 0.553,934 0.312,935 0.17,936 0.083,937 13,938 4,939 0.159,940 7,941 1,942 1.133,943 3.684,944 144.981,945 0.133,946 15,947 92.239,948 1,951 14.793,952 7.758,953 4.417,955 63.807,956 12.153,957 4.196,960 1.64,961 3.393,963 36.022,964 396.187,965 28.5,975 41.662,976 47.361,977 0.289,978 0.645,979 0.843,980 0.938,981 0.947,982 0.947,983 4.562,984 0.957,985 5.361,986 2.784,987 4.078,988 4.527,989 1.138,990 6.038,991 3.937,992 5.67,993 0.686,994 6.821,995 2.055,996 3.219,997 3.861,999 6.629,1000 2.996,1001 6.901,1002 0.618,1003 8.382,1004 1.569,1005 5.525,1006 6.522,1007 0.787,1008 9.722,1009 5.254,1010 8.169,1011 0.28,1012 10.01,1013 1.372,1014 5.602,1015 6.835,1017 11.246,1018 5.235,1019 9.476,1020 -0.284,1021 11.682,1022 0.623,1023 7.238,1024 8.821,1025 0.602,1026 13.772,1027 6.853,1028 10.81,1029 -0.618,1030 13.387,1031 -0.664,1032 7.787,1033 9.605,1035 15.679,1036 7.323,1037 12.165,1038 -0.661,1039 15.114,1040 -1.487,1041 9.112,1042 11.28,1043 0.471,1044 18.01,1045 8.634,1046 2.923,1047 -1.055,1048 16.858,1049 -1.606,1050 9.908,1051 12.303,1053 20.085,1054 9.37,1055 2.542,1056 9.226,1057 18.615,1058 -2.557,1059 11.087,1060 13.823,1061 0.367,1062 22.345,1063 10.532,1064 2.303,1065 6.997,1066 20.382,1067 3.815,1068 12.011,1069 14.972,1071 24.497,1072 11.41,1073 1.746,1074 6.678,1075 22.157,1076 3.479,1077 13.123,1078 16.41,1079 0.283,1080 26.731,1081 12.5,1082 1.618,1083 4.371,1084 23.939,1085 2.443,1086 14.113,1087 17.63,1089 28.919,1090 13.453,1091 1.428,1092 3.565,1093 25.726,1094 2.077,1095 15.195,1096 19.022,1097 0.217,1098 31.144,1099 14.51,1100 1.312,1101 3.029,1102 27.518,1103 1.99,1104 16.22,1105 20.283,1107 33.349,1108 15.5,1109 5319,1110 8366,1111 16.178,1112 27.972,1113 33.075,1114 32.935,1115 32.774,1116 32.772,1117 32.827,1118 40.657,1119 3.32,1120 84.537,1121 30.488,1122 5.185,1123 5.256,1124 6.013,1125 4.983,1126 4.923,1127 6.815,1128 1.72,1129 15.535,1130 4.805,1132 1.438,1133 1.432,1134 1.425,1135 1.425,1136 1.427,1137 1.768,1138 0.144,1139 3.676,1140 1.326,1141 3.983,1142 4.01,1143 4.201,1144 3.897,1145 4.882,1146 3.896,1147 3.829,1148 3.871,1149 3.912,1150 3.795,1151 4.853,1152 3.716,1153 3.667,1154 3.729,1155 3.551,1156 3.519,1157 4.389,1158 3.509,1159 3.508,1160 3.569,1161 3.368,1162 3.379,1163 4.208,1164 3.361,1165 3.225,1166 3.318,1167 3.051,1168 3.026,1169 3.966,1170 3.018,1171 2.988,1172 3.067,1173 2.836,1174 2.774,1175 3.819,1176 2.777,1177 2.829,1178 2.9,1179 2.668,1180 2.668,1181 3.467,1182 2.658,1183 2.665,1184 2.741,1185 2.598,1186 2.496,1187 3.391,1188 2.48,1189 0.184,1190 0.142,1191 0.269,1192 0.169,1193 0.127,1194 4.228,1195 0.166,1196 3.256,1197 0.037,1198 6.183,1199 0.401,1200 3.882,1201 0.122,1202 2.923,1203 3.815,1204 0.86,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.063,1211 1.35,1212 2.068,1213 1.691,1214 1.622,1215 1.924,1216 1.898,1217 1.21,1218 1.913,1219 1.552,1220 1.495,1221 1.781,1222 1.73,1223 0.996,1224 1.749,1225 1.357,1226 1.336,1227 1.544,1228 1.559,1229 0.753,1230 1.559,1231 1.301,1232 1.231,1233 1.485,1234 1.471,1235 0.595,1236 1.509,1237 1.134,1238 1.074,1239 1.328,1240 1.307,1241 0.523,1242 1.356,1243 0.891,1244 0.831,1245 1.138,1246 1.104,1247 0.262,1248 1.135,1249 0.782,1250 0.705,1251 1.019,1252 0.983,1253 0.198,1254 1.037,1255 3.85,1257 5.094,1258 2.398,1259 6.526,1260 4.443,1261 8.054,1262 6.26,1263 9.637,1271 6.179,1272 6.796,1273 6.011,1275 0.298,1280 25.707,1281 65.484,1282 146.107,1283 190.968,1284 212.477,1285 214.477,1286 214.477,1287 25.52,1288 6.609,1289 46.18,1290 74.42,1291 17,1292 11.829,1293 3.585,1294 2.7,1295 32.691,1296 86,1297 68,1298 0.18,1299 162.941,1300 273.58,1301 389.336,1302 6858,1304 14.33,1305 0.682,1306 0.613,1307 14.684,1308 12.864,1309 10.416,1310 0.453,1311 0.364,1312 7.49,1313 9.609,1314 7.288,1315 6.025,1316 10.87,1317 8.383,1318 8.626,1319 0.297,1320 0.21,1321 9.236,1322 6.103,1323 7.098,1324 0.197,1325 0.121,1326 7.733,1327 4.344,1328 5.751,1329 0.131,1330 0.07,1331 6.329,1332 3.064,1333 4.226,1334 0.086,1335 0.04,1336 4.481,1337 1.941,1338 0.298,1339 69.261,1340 0.249,1341 21.826,1342 0.453,1343 104,1344 266.907,1345 136.487,1346 277.463,1347 383.67,1348 264,1349 117,1350 267.045,1351 143.184,1352 281.863,1353 409.53,1354 267,1355 8.1} {0 CHEMBL89448,1 1.523,2 11.864,3 1.029,4 1.058,5 85.093,6 6.618,7 0.25,8 3.925,9 4.064,10 3.392,11 3.351,12 4.873,13 3.334,14 4.509,15 4.71,16 3.68,17 3.719,18 5.422,19 3.667,20 4.776,21 5.037,22 3.66,23 3.79,24 5.609,25 3.695,26 4.665,27 4.941,28 3.401,29 3.663,30 5.443,31 3.539,32 4.539,33 4.812,34 3.237,35 3.604,36 5.232,37 3.449,38 4.541,39 4.838,40 3.151,41 3.541,42 5.216,43 3.364,44 4.445,45 4.744,46 3.079,47 3.426,48 5.123,49 3.258,50 4.32,51 4.617,52 2.999,53 3.318,54 5.038,55 3.169,56 0.036,57 0.675,58 11.296,59 3.908,60 5.739,61 5.868,62 0.262,63 1.02,64 21.255,65 6.476,66 21.163,67 9.761,68 0.518,69 1.125,70 28.555,71 7.53,72 34.829,73 12.177,74 0.461,75 0.998,76 25.539,77 6.63,78 30.703,79 10.818,80 0.249,81 0.91,82 21.907,83 6.714,84 18.816,85 10.591,86 0.294,87 0.867,88 22.089,89 6.745,90 21.52,91 10.605,92 0.283,93 0.777,94 20.124,95 5.795,96 18.975,97 9.425,98 0.289,99 0.7,100 17.859,101 4.828,102 19.566,103 8.015,105 30,106 0.267,107 0.564,108 0.755,109 0.847,110 0.877,111 0.9,112 3.144,113 1.004,114 -2.58,115 -2.6,116 -2.53,119 34.8,121 2,125 6,127 1,140 4,142 2,157 1,169 3,172 3,174 2,175 1,176 3,178 2,181 1,182 4,184 1,189 1,193 3,195 1,196 1,197 2,203 1,208 1,215 1,218 1,219 1,220 2,222 1,229 1,231 1,233 1,240 1,242 1,244 2,248 1,252 1,254 1,256 1,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 14.43,266 25.036,267 9.798,268 15.966,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 10.373,275 34.676,276 4.74,277 12.757,278 4.001,279 2.31,280 1.217,281 0.696,282 0.522,283 0.391,284 3.838,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 16.921,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 48,315 261,316 4.228,317 3.318,318 6.183,319 3.85,320 2.923,321 3.815,322 1.263,323 9.226,324 2.703,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.388,335 2.574,336 5.257,337 3.251,338 2.303,339 2.443,340 0.86,341 6.678,342 2.17,343 2.928,344 2.15,345 4.415,346 2.713,347 1.755,348 2.077,349 0.4,350 4.371,351 1.679,352 2.866,353 1.961,354 3.819,355 2.53,356 1.618,357 1.988,358 0.277,359 3.579,360 1.47,361 2.743,362 1.702,363 3.631,364 2.451,365 1.492,366 1.748,367 0.247,368 3.117,369 1.427,370 2.505,371 1.482,372 3.584,373 2.383,374 1.401,375 1.497,377 2.988,378 1.371,379 2.158,380 1.403,381 3.266,382 1.977,383 1.046,384 1.103,386 2.227,387 0.97,388 2.037,389 1.304,390 3.247,391 1.917,392 1,393 1.027,395 2.136,396 0.916,397 1.882,398 1.02,399 3.136,400 1.599,401 0.695,402 0.803,404 1.589,405 0.622,406 1.399,407 0.624,408 2.755,409 1.263,410 0.335,411 0.349,413 0.747,414 0.31,415 0.896,416 0.11,417 2.338,418 0.701,419 -0.225,420 -0.238,422 -0.524,423 -0.207,424 0.69,425 -0.165,426 2.131,427 0.372,428 -0.555,429 -0.591,431 -1.23,432 -0.507,433 0.569,434 -0.305,435 2,436 0.311,437 -0.618,438 -0.729,440 -1.596,441 -0.565,442 0.298,443 -0.564,444 1.773,445 0.043,446 -0.888,447 -0.932,449 -1.918,450 -0.823,451 10.267,452 0.467,453 0.256,454 0.012,455 23.5,456 1.068,457 8.5,458 0.386,459 15,460 0.682,461 17.997,462 0.818,463 25.733,464 0.559,465 14.257,466 0.648,467 4.697,468 0.214,469 6.219,470 0.283,473 0.195,479 0.999,480 1.592,481 0.913,482 1.322,483 0.922,484 1.124,485 1.25,486 1.161,487 1.097,488 1.19,489 1.147,490 1.125,491 1.258,492 0.99,493 1.005,494 0.923,495 1.157,496 0.922,497 1.337,498 0.818,499 1.146,500 0.86,501 1.286,502 0.95,503 0.977,504 1.066,505 1.075,506 1.082,507 0.99,508 1.095,509 0.8,510 0.898,511 0.969,512 0.991,513 0.822,514 1.008,515 0.838,516 0.967,517 0.925,518 0.94,519 0.849,520 0.948,521 0.969,522 0.834,523 0.994,524 0.833,525 1.036,526 0.896,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 14326,539 2.153,540 52.2,542 17,545 3,548 4,550 1.632,551 2.129,552 3.537,553 1.069,554 1,555 1,559 70.045,560 1.523,561 3.214,562 4.306,563 4.828,564 5.002,565 5.132,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,577 254.084,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.33,592 1,594 105.786,595 -0.058,596 -0.235,597 0.066,598 -0.109,599 -0.007,600 -0.011,601 -0.053,602 0.008,603 -0.084,604 -0.139,605 -0.012,606 -0.118,607 0.014,608 -0.027,609 0.016,610 0.014,611 0.035,612 0.02,613 -0.146,614 0.152,615 -0.132,616 0.046,617 -0.159,618 -0.026,619 -0.112,620 -0.097,621 -0.118,622 -0.086,623 -0.123,624 -0.101,625 0.013,626 0.016,627 -0.016,628 -0.033,629 0.013,630 -0.034,631 0.025,632 -0.071,633 0.036,634 0.002,635 0.01,636 0.016,637 -0.042,638 0.1,639 -0.016,640 0.08,641 -0.098,642 0.046,643 1.257,644 2.401,645 0.727,646 20,647 0.998,648 1.143,649 1.346,650 1.813,651 0.621,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.582,664 304.44,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 8.7,677 3,684 1,688 4,693 2,695 6,712 2,714 46,716 7,717 1,718 24,720 48,721 16,722 6,723 2,724 4,730 3,731 4,734 1,740 2,743 3,745 7,746 9,750 1,758 1,759 1,760 1,761 1,764 24,765 6,766 3,767 6,773 4,777 0.667,778 2,793 3,797 1,814 3,819 2,827 22,833 8,834 3,835 2,837 1,847 4.3,852 2,854 10.333,855 7.7,856 5.028,857 2.893,858 1.352,859 1.201,860 0.964,861 5.928,862 8.073,863 3.367,864 3.773,865 4.171,866 4.563,867 4.969,868 4.831,869 4.967,870 5.128,871 5.256,872 4.863,873 0.875,874 28,875 8.158,877 3.336,878 7.492,879 16.094,881 12.968,883 1.992,884 43.833,885 0.001,888 247.193,889 70.481,890 70.818,892 22,895 70.481,896 269.193,897 70.818,899 20.19,900 91.937,902 49.272,903 1.899,904 247.193,906 247.193,907 141.299,908 22,911 200.109,912 69.084,915 91.008,916 50.291,919 247.193,920 92.818,921 70.481,924 247.193,925 32.576,926 37.905,927 54.032,928 38.785,929 247.193,930 92.818,931 70.481,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.146,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 96.107,951 15.591,952 8.364,953 4.857,955 92.818,956 7.806,961 1.673,963 54.032,964 410.492,965 28,973 4.38,974 0.937,975 45.898,976 52.564,977 0.276,978 0.582,979 0.78,980 0.874,981 0.906,982 0.929,983 4.559,984 1.046,985 5.389,986 2.988,987 4.111,988 4.454,989 2.001,990 6.057,991 3.972,992 5.646,993 1,994 6.843,995 2.227,996 3.219,997 3.829,998 0.623,999 6.629,1000 2.984,1001 6.874,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.374,1007 1.925,1008 9.728,1009 5.259,1010 8.134,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.151,1019 9.436,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.631,1025 2.027,1026 13.773,1027 6.802,1028 10.765,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.394,1034 1.663,1035 15.673,1036 7.175,1037 12.116,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.071,1043 2.249,1044 18.008,1045 8.503,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.078,1052 2.128,1053 20.081,1054 9.147,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.612,1061 2.561,1062 22.343,1063 10.306,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.753,1070 2.589,1071 24.495,1072 11.103,1073 1.755,1074 6.678,1075 22.154,1076 3.091,1077 13.114,1078 16.207,1079 2.935,1080 26.73,1081 12.174,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 3.051,1089 28.918,1090 13.056,1091 1.492,1092 3.579,1093 25.723,1094 2.077,1095 15.185,1096 18.834,1097 3.346,1098 31.143,1099 14.084,1100 1.401,1101 3.117,1102 27.515,1103 1.988,1104 16.206,1105 20.099,1106 3.513,1107 33.348,1108 15.014,1109 6065,1110 9159,1111 16.871,1112 28.546,1113 34.288,1114 34.62,1115 34.265,1116 34.196,1117 34.181,1118 39.884,1119 7.813,1120 87.247,1121 31.858,1122 5.2,1123 5.318,1124 6.008,1125 4.992,1126 4.923,1127 6.815,1128 2.232,1129 15.535,1130 4.703,1132 1.429,1133 1.442,1134 1.428,1135 1.425,1136 1.424,1137 1.662,1138 0.326,1139 3.635,1140 1.327,1141 3.953,1142 3.975,1143 3.894,1144 3.838,1145 4.958,1146 3.847,1147 3.825,1148 3.899,1149 3.725,1150 3.619,1151 4.751,1152 3.632,1153 3.675,1154 3.749,1155 3.534,1156 3.499,1157 4.393,1158 3.498,1159 3.506,1160 3.57,1161 3.353,1162 3.342,1163 4.258,1164 3.336,1165 3.21,1166 3.299,1167 3.051,1168 2.943,1169 4.171,1170 2.96,1171 2.985,1172 3.062,1173 2.836,1174 2.767,1175 3.949,1176 2.773,1177 2.924,1178 3.043,1179 2.748,1180 2.713,1181 3.739,1182 2.712,1183 2.88,1184 2.935,1185 2.7,1186 2.644,1187 3.542,1188 2.639,1189 0.176,1190 0.138,1191 0.258,1192 0.16,1193 0.122,1194 4.228,1195 0.159,1196 3.318,1197 0.053,1198 6.183,1199 0.384,1200 3.85,1201 0.113,1202 2.923,1203 3.815,1204 1.263,1205 9.226,1206 2.703,1207 1.89,1208 1.873,1209 2.006,1210 2.035,1211 1.251,1212 2.024,1213 1.757,1214 1.683,1215 1.964,1216 1.991,1217 1.212,1218 1.985,1219 1.659,1220 1.588,1221 1.901,1222 1.864,1223 1.137,1224 1.882,1225 1.499,1226 1.439,1227 1.749,1228 1.697,1229 0.991,1230 1.719,1231 1.148,1232 1.059,1233 1.441,1234 1.453,1235 0.619,1236 1.457,1237 0.938,1238 0.869,1239 1.285,1240 1.229,1241 0.492,1242 1.252,1243 0.903,1244 0.804,1245 1.247,1246 1.219,1247 0.431,1248 1.236,1249 0.863,1250 0.787,1251 1.136,1252 1.078,1253 0.187,1254 1.095,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 7.38,1272 9.987,1273 11.594,1275 0.076,1280 26.783,1281 70.045,1282 147.842,1283 198.084,1284 222.084,1285 230.084,1286 236.084,1287 28.797,1288 6.72,1289 66.91,1290 66.91,1291 18,1292 11.843,1293 3,1294 2.322,1295 35.009,1296 95,1297 78,1298 0.175,1299 165.528,1300 288.4,1301 395.648,1302 8086,1304 15.037,1305 0.684,1306 0.582,1307 15.037,1308 12.807,1309 10.916,1310 0.455,1311 0.335,1312 7.885,1313 10.388,1314 7.796,1315 6.426,1316 10.916,1317 8.031,1318 8.979,1319 0.299,1320 0.183,1321 8.979,1322 5.493,1323 7.348,1324 0.199,1325 0.099,1326 7.348,1327 3.66,1328 5.928,1329 0.132,1330 0.056,1331 5.928,1332 2.498,1333 4.838,1334 0.088,1335 0.032,1336 4.838,1337 1.733,1338 0.291,1339 69.082,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 304.115,1345 122.467,1346 282.319,1347 389.85,1348 270,1349 121,1350 285.438,1351 136.076,1352 280.905,1353 411.74,1354 267,1355 7.6} {0 CHEMBL89878,1 1.386,2 12.583,3 2.7,4 7.288,5 98.151,6 6.121,7 0.231,8 4.054,9 4.205,10 3.452,11 3.523,12 4.931,13 3.472,14 4.655,15 4.876,16 3.747,17 3.921,18 5.476,19 3.825,20 4.942,21 5.215,22 3.75,23 4.037,24 5.679,25 3.901,26 4.89,27 5.17,28 3.56,29 3.955,30 5.609,31 3.793,32 4.823,33 5.117,34 3.424,35 3.866,36 5.473,37 3.685,38 4.733,39 5.023,40 3.338,41 3.793,42 5.37,43 3.606,44 4.696,45 4.995,46 3.26,47 3.743,48 5.312,49 3.539,50 4.679,51 5.007,52 3.142,53 3.636,54 5.279,55 3.429,56 0.073,57 0.789,58 13.703,59 4.933,60 7.383,61 7.503,62 0.274,63 1.233,64 24.874,65 8.375,66 20.368,67 12.711,68 0.383,69 1.422,70 32.515,71 10.111,72 28.855,73 15.938,74 0.356,75 1.328,76 30.775,77 9.474,78 28.398,79 15.009,80 0.287,81 1.196,82 28.328,83 9.18,84 23.639,85 14.32,86 0.303,87 1.106,88 25.869,89 8.733,90 21.037,91 13.314,92 0.249,93 1.066,94 24.667,95 8.307,96 17.837,97 13.024,98 0.244,99 0.994,100 24.173,101 7.285,102 19.59,103 11.976,104 3,105 33,106 0.235,107 0.526,108 0.764,109 0.865,110 0.89,111 0.897,112 3.226,113 1.08,114 -3.79,115 -3.76,116 -3.57,119 35.2,120 1,121 5,125 5,127 1,140 3,141 2,142 1,157 1,169 8,172 4,174 2,175 1,176 3,178 9,182 3,184 1,186 1,189 8,193 3,196 1,197 3,199 5,203 2,208 2,211 4,218 1,219 1,220 2,222 4,229 1,231 3,233 3,242 3,244 2,248 1,249 1,252 1,254 3,256 2,259 864,260 16.784,261 16.784,262 16.784,263 16.784,264 16.784,265 15.775,266 28.223,267 10.436,268 17.168,269 12.831,270 12.831,271 12.831,272 12.831,273 12.831,274 11.207,275 35.662,276 4.966,277 13.469,278 4.369,279 2.649,280 1.241,281 0.644,282 0.495,283 0.458,284 3.918,287 1,288 1,289 1,290 650,291 3.082,295 225.806,299 115.8,302 1.951,303 15.171,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 51,315 302,316 4.292,317 3.281,318 6.219,319 3.932,320 2.967,321 3.921,322 1.263,323 9.375,324 2.867,325 3.842,326 3.043,327 5.34,328 3.431,329 2.522,330 3.091,331 0.86,332 6.965,333 2.336,334 3.61,335 2.68,336 5.309,337 3.383,338 2.415,339 2.888,340 0.4,341 6.871,342 2.291,343 3.314,344 2.428,345 5.179,346 3.123,347 2.143,348 2.376,349 0.277,350 6.353,351 2.089,352 2.887,353 1.996,354 4.405,355 2.71,356 1.75,357 2.005,358 0.247,359 4.319,360 1.677,361 2.752,362 1.862,363 3.817,364 2.531,365 1.574,366 1.753,368 3.572,369 1.496,370 2.506,371 1.676,372 3.6,373 2.436,374 1.476,375 1.498,377 3.092,378 1.414,379 2.168,380 1.406,381 3.329,382 2.013,383 1.065,384 1.12,386 2.27,387 1.007,388 2.064,389 1.303,390 3.247,391 1.917,392 1,393 1.036,395 2.136,396 0.916,397 1.983,398 0.977,399 3.215,400 1.799,401 0.825,402 0.937,404 1.842,405 0.801,406 1.565,407 0.618,408 2.822,409 1.438,410 0.448,411 0.487,413 0.797,414 0.443,415 1.394,416 0.544,417 2.769,418 1.26,419 0.327,420 0.342,422 0.646,423 0.304,424 0.898,425 0.014,426 2.346,427 0.722,428 -0.223,429 -0.236,431 -0.521,432 -0.209,433 0.747,434 -0.24,435 2.263,436 0.469,437 -0.499,438 -0.561,440 -1.079,441 -0.48,442 0.574,443 -0.302,444 2.102,445 0.385,446 -0.56,447 -0.612,449 -1.382,450 -0.526,451 11.433,452 0.476,453 0.324,454 0.014,455 23.5,456 0.979,457 8,458 0.333,459 15.5,460 0.646,461 23.241,462 0.968,463 28.167,464 0.522,465 13.903,466 0.579,467 4.269,468 0.178,469 7.578,470 0.316,471 0.044,473 0.219,479 1.031,480 1.523,481 1.015,482 1.292,483 0.993,484 1.167,485 1.139,486 1.134,487 1.095,488 1.165,489 1.046,490 1.129,491 1.327,492 1.003,493 1.019,494 0.96,495 1.239,496 0.96,497 1.374,498 0.982,499 1.165,500 1.031,501 1.377,502 1.067,503 1.222,504 0.972,505 1.04,506 0.987,507 1.129,508 0.999,509 1.086,510 0.928,511 1.055,512 1.016,513 0.995,514 1.04,515 0.718,516 1.114,517 0.999,518 1.111,519 0.749,520 1.092,521 0.918,522 0.882,523 0.926,524 0.857,525 0.938,526 0.878,527 3.5,528 0.054,529 1.556,530 0.688,531 0.898,532 0.41,533 0.242,534 0.127,535 0.123,536 0.077,537 7874,538 14908,539 2.114,540 55.6,541 7,542 14,545 3,547 2,548 4,550 1.658,551 2.057,552 3.618,553 0.957,554 1,555 1,559 74.847,560 1.386,561 3.106,562 4.514,563 5.111,564 5.259,565 5.296,566 3.074,567 3.804,568 4.558,569 3.786,570 1044.81,571 7.807,572 13490.9,574 1,576 1,577 310.764,578 0.974,579 4.551,580 0.135,581 0.003,582 0.047,583 0.021,584 0.036,585 0.019,586 0.012,587 0.007,588 0.008,589 0.005,590 0.293,591 0.5,592 1,593 0.573,594 118.824,595 -0.021,596 -0.152,597 0.059,598 -0.048,599 -0.003,600 0.008,601 0.055,602 0.051,603 -0.043,604 -0.079,605 0.078,606 -0.072,607 -0.04,608 0.004,609 0.001,610 0.022,611 -0.043,612 0.018,613 -0.144,614 0.029,615 -0.15,616 -0.067,617 -0.205,618 -0.102,619 -0.111,620 -0.026,621 -0.056,622 -0.016,623 -0.101,624 -0.029,625 -0.025,626 0.029,627 -0.075,628 -0.031,629 -0.026,630 -0.06,631 0.075,632 -0.165,633 -0.047,634 -0.121,635 0.046,636 -0.104,637 -0.051,638 0.02,639 0.03,640 0.044,641 -0.056,642 0.048,643 1.04,644 2.669,645 0.667,646 24.5,647 0.986,648 1.141,649 2.563,650 6.571,651 0.618,652 3.296,653 3.526,654 3.738,655 3.932,656 4.159,657 4.111,658 4.127,659 4.159,660 4.205,661 4.007,662 7.418,663 0.568,664 330.53,665 3.296,666 4.779,667 5.587,668 6.415,669 7.241,670 8.077,671 8.911,672 9.754,673 10.593,674 11.439,675 7.4,677 3,684 1,688 3,693 3,695 6,712 1,714 54,716 7,717 1,718 26,720 56,721 19,722 6,723 3,724 3,730 3,731 4,734 1,736 1,740 4,743 6,745 7,746 12,750 1,758 1,759 1,760 1,761 1,764 30,765 5,766 3,767 5,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,823 1,827 24,833 10,834 3,835 1,837 1,847 1.9,852 1,854 11.667,855 9.45,856 5.528,857 3.713,858 1.369,859 1.197,860 0.963,861 6.792,862 8.309,863 3.434,864 3.861,865 4.28,866 4.695,867 5.147,868 5.17,869 5.254,870 5.362,871 5.504,872 5.19,873 1,874 32,875 8.931,877 3.634,878 7.375,879 17.967,881 14.722,883 1.875,884 45,885 0.001,887 1,888 317.82,889 73.969,890 70.818,892 11,895 73.969,896 328.82,897 70.818,898 8.825,899 23.201,900 82.461,902 39.4,903 1.899,904 317.82,906 317.82,907 144.787,908 11,911 247.193,912 81.626,915 102.844,916 41.942,919 317.82,920 81.818,921 73.969,924 317.82,925 36.715,926 37.254,927 54.032,928 27.785,929 317.82,930 81.818,931 73.969,933 0.553,934 0.315,935 0.167,936 0.095,937 14,938 5,939 0.143,940 8,941 1,942 1.125,943 3.911,944 174.959,945 0.125,946 16,947 110.039,951 17.56,952 9.283,953 5.377,955 81.818,956 6.661,961 3.802,963 54.032,964 473.606,965 30,973 4.41,974 0.959,975 53.221,976 61.6,977 0.241,978 0.54,979 0.784,980 0.888,981 0.914,982 0.92,983 4.64,984 1.065,985 5.501,986 3.092,987 4.205,988 4.543,989 1.778,990 6.192,991 4.111,992 5.744,993 1,994 6.974,995 2.27,996 3.434,997 4.086,998 0.623,999 6.823,1000 3.295,1001 6.989,1002 0.825,1003 8.546,1004 2.136,1005 5.673,1006 6.511,1007 1.751,1008 9.893,1009 5.49,1010 8.267,1011 0.448,1012 10.178,1013 1.842,1014 5.771,1015 6.941,1016 1.178,1017 11.398,1018 5.543,1019 9.584,1020 0.327,1021 11.852,1022 0.797,1023 7.394,1024 8.809,1025 1.914,1026 13.937,1027 7.128,1028 10.926,1029 -0.223,1030 13.554,1031 0.646,1032 7.943,1033 9.665,1034 1.663,1035 15.825,1036 7.637,1037 12.287,1038 -0.499,1039 15.277,1040 -0.521,1041 9.273,1042 11.289,1043 2.184,1044 18.174,1045 8.931,1046 2.967,1047 -0.56,1048 17.015,1049 -1.079,1050 10.067,1051 12.369,1052 2.128,1053 20.245,1054 9.691,1055 2.522,1056 9.375,1057 18.766,1058 -1.382,1059 11.255,1060 13.874,1061 2.527,1062 22.522,1063 10.847,1064 2.415,1065 6.965,1066 20.528,1067 3.921,1068 12.183,1069 15.077,1070 2.589,1071 24.68,1072 11.743,1073 2.143,1074 6.871,1075 22.298,1076 3.091,1077 13.305,1078 16.52,1079 2.917,1080 26.93,1081 12.835,1082 1.75,1083 6.353,1084 24.076,1085 2.888,1086 14.305,1087 17.793,1088 3.051,1089 29.13,1090 13.804,1091 1.574,1092 4.319,1093 25.86,1094 2.376,1095 15.399,1096 19.202,1097 3.338,1098 31.371,1099 14.868,1100 1.476,1101 3.572,1102 27.65,1103 2.005,1104 16.437,1105 20.514,1106 3.513,1107 33.591,1108 15.877,1109 7515,1110 10429,1111 17.97,1112 33.376,1113 37.06,1114 37.372,1115 37.578,1116 37.055,1117 37.028,1118 42.91,1119 6.093,1120 96.476,1121 35.281,1122 5.264,1123 5.281,1124 6.044,1125 5.03,1126 4.967,1127 6.921,1128 2.232,1129 15.778,1130 4.867,1131 6.622,1132 1.425,1133 1.437,1134 1.445,1135 1.425,1136 1.424,1137 1.65,1138 0.234,1139 3.711,1140 1.357,1141 4.006,1142 4.033,1143 3.94,1144 3.926,1145 4.849,1146 3.925,1147 3.827,1148 3.904,1149 3.725,1150 3.621,1151 4.75,1152 3.633,1153 3.693,1154 3.764,1155 3.557,1156 3.532,1157 4.387,1158 3.529,1159 3.57,1160 3.638,1161 3.407,1162 3.422,1163 4.205,1164 3.408,1165 3.366,1166 3.451,1167 3.185,1168 3.205,1169 3.983,1170 3.188,1171 3.205,1172 3.301,1173 3.01,1174 2.985,1175 3.937,1176 2.979,1177 3.043,1178 3.128,1179 2.861,1180 2.836,1181 3.746,1182 2.835,1183 2.924,1184 3.043,1185 2.748,1186 2.716,1187 3.727,1188 2.713,1189 0.165,1190 0.126,1191 0.239,1192 0.151,1193 0.114,1194 4.292,1195 0.151,1196 3.281,1197 0.049,1198 6.219,1199 0.361,1200 3.932,1201 0.11,1202 2.967,1203 3.921,1204 1.263,1205 9.375,1206 2.867,1207 1.971,1208 1.949,1209 2.096,1210 2.077,1211 1.362,1212 2.083,1213 1.758,1214 1.685,1215 1.968,1216 1.993,1217 1.235,1218 1.989,1219 1.68,1220 1.616,1221 1.916,1222 1.879,1223 1.2,1224 1.896,1225 1.581,1226 1.514,1227 1.849,1228 1.764,1229 1.133,1230 1.796,1231 1.379,1232 1.303,1233 1.668,1234 1.59,1235 0.881,1236 1.621,1237 1.194,1238 1.101,1239 1.508,1240 1.451,1241 0.691,1242 1.48,1243 1.024,1244 0.942,1245 1.33,1246 1.284,1247 0.533,1248 1.309,1249 0.904,1250 0.804,1251 1.285,1252 1.223,1253 0.492,1254 1.25,1255 3.97,1257 5.22,1259 6.673,1261 8.222,1263 9.822,1265 2.187,1271 10.36,1272 10.159,1273 6.169,1275 0.293,1280 30.649,1281 74.847,1282 167.705,1283 243.744,1284 276.009,1285 284.009,1286 286.009,1287 34.258,1288 6.939,1289 57.68,1290 57.68,1291 18,1292 12.002,1293 3,1294 2.322,1295 39.796,1296 108,1297 96,1298 0.175,1299 190.309,1300 331.51,1301 456.113,1302 10477,1304 16.615,1305 0.692,1306 0.614,1307 16.615,1308 14.736,1309 11.848,1310 0.456,1311 0.36,1312 9.251,1313 11.444,1314 9.066,1315 7.519,1316 11.848,1317 9.363,1318 9.782,1319 0.296,1320 0.199,1321 9.782,1322 6.569,1323 8.107,1324 0.198,1325 0.114,1326 8.107,1327 4.661,1328 6.417,1329 0.128,1330 0.063,1331 6.417,1332 3.168,1333 5.286,1334 0.084,1335 0.037,1336 5.286,1337 2.306,1338 0.29,1339 73.765,1340 0.236,1341 24.453,1342 0.44,1343 118,1344 272.379,1345 128.924,1346 261.417,1347 366.06,1348 250,1349 133,1350 271.983,1351 143.869,1352 271.784,1353 397.28,1354 259,1355 9.5} {0 CHEMBL90405,1 1.552,2 12.478,3 1.963,4 3.852,5 88.725,6 6.676,7 0.24,8 3.959,9 4.103,10 3.425,11 3.412,12 4.923,13 3.386,14 4.553,15 4.761,16 3.736,17 3.803,18 5.504,19 3.738,20 4.851,21 5.12,22 3.718,23 3.897,24 5.714,25 3.791,26 4.765,27 5.046,28 3.498,29 3.779,30 5.572,31 3.647,32 4.663,33 4.949,34 3.375,35 3.688,36 5.501,37 3.533,38 4.603,39 4.905,40 3.215,41 3.603,42 5.332,43 3.425,44 4.507,45 4.814,46 3.143,47 3.496,48 5.214,49 3.322,50 4.397,51 4.7,52 3.083,53 3.388,54 5.209,55 3.236,56 0.03,57 0.773,58 11.55,59 4.275,60 5.456,61 6.256,62 0.222,63 1.189,64 21.947,65 7.29,66 23.505,67 10.713,68 0.433,69 1.345,70 30.718,71 8.765,72 41.665,73 13.586,74 0.412,75 1.197,76 28.231,77 7.836,78 34.607,79 12.35,80 0.434,81 1.077,82 25.453,83 7.606,84 41.705,85 11.786,86 0.318,87 0.975,88 23.776,89 7.395,90 31.481,91 11.317,92 0.284,93 0.868,94 21.549,95 6.43,96 24.081,97 10.219,98 0.325,99 0.813,100 19.565,101 5.374,102 31.36,103 8.718,104 2,105 32,106 0.27,107 0.573,108 0.774,109 0.876,110 0.898,111 0.905,112 3.186,113 1.019,114 -3.71,115 -3.68,116 -3.5,119 35.4,121 4,125 5,127 1,140 3,141 1,142 2,157 1,169 4,172 4,174 2,175 1,176 3,178 4,182 3,184 1,186 1,189 4,193 1,196 1,197 3,199 2,203 1,208 2,211 2,218 1,219 1,220 2,222 2,229 1,231 1,233 2,242 2,244 2,248 1,249 1,252 1,254 3,259 754,260 15.913,261 15.913,262 15.913,263 15.913,264 15.913,265 14.853,266 26.213,267 9.934,268 16.36,269 12.404,270 12.404,271 12.404,272 12.404,273 12.404,274 10.784,275 34.533,276 4.819,277 13.165,278 4.033,279 2.286,280 1.131,281 0.542,282 0.417,283 0.375,284 3.877,287 1,288 1,289 1,290 621,291 2.915,295 214.602,299 110.216,302 1.936,303 22.888,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 50.5,315 287,316 4.283,317 3.291,318 6.211,319 3.918,320 2.959,321 3.911,322 1.263,323 9.336,324 2.837,325 3.842,326 3.043,327 5.34,328 3.431,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.569,335 2.842,336 5.289,337 3.33,338 2.39,339 2.834,340 0.4,341 6.81,342 2.236,343 3.253,344 2.446,345 4.918,346 2.967,347 2.033,348 2.32,349 0.277,350 5.66,351 1.88,352 2.922,353 1.989,354 4.41,355 2.704,356 1.743,357 2.058,358 0.247,359 4.373,360 1.671,361 2.756,362 1.897,363 3.817,364 2.589,365 1.618,366 1.755,368 3.573,369 1.562,370 2.506,371 1.682,372 3.6,373 2.435,374 1.477,375 1.498,377 3.092,378 1.412,379 2.158,380 1.406,381 3.301,382 1.989,383 1.05,384 1.104,386 2.239,387 0.983,388 2.038,389 1.305,390 3.247,391 1.917,392 1,393 1.027,395 2.136,396 0.916,397 1.93,398 0.901,399 3.222,400 1.697,401 0.732,402 0.853,404 1.728,405 0.701,406 1.438,407 0.657,408 2.779,409 1.298,410 0.37,411 0.384,413 0.826,414 0.341,415 1.09,416 0.388,417 2.426,418 0.846,419 -0.073,420 -0.081,422 -0.168,423 -0.066,424 0.698,425 -0.056,426 2.284,427 0.512,428 -0.41,429 -0.431,431 -0.926,432 -0.371,433 0.656,434 -0.324,435 2.256,436 0.352,437 -0.618,438 -0.729,440 -1.723,441 -0.595,442 0.322,443 -0.383,444 1.953,445 0.152,446 -0.76,447 -0.799,449 -1.821,450 -0.685,451 10.719,452 0.466,453 0.362,454 0.016,455 23.25,456 1.011,457 8,458 0.348,459 15.25,460 0.663,461 20.525,462 0.892,463 27.081,464 0.564,465 14.398,466 0.626,467 4.491,468 0.195,469 6.819,470 0.296,471 0.027,473 0.233,477 1,479 0.791,480 1.353,481 0.886,482 1.268,483 0.582,484 1.116,485 0.882,486 1.082,487 1.018,488 1.197,489 0.604,490 1.14,491 1.127,492 0.97,493 1.003,494 0.951,495 0.893,496 0.952,497 1.114,498 0.882,499 1.103,500 0.945,501 0.839,502 1.003,503 0.852,504 0.966,505 1.015,506 1.016,507 0.861,508 1.039,509 0.782,510 0.857,511 0.962,512 0.985,513 0.782,514 1.008,515 0.688,516 0.881,517 0.877,518 0.941,519 0.615,520 0.946,521 0.906,522 0.82,523 0.982,524 0.874,525 0.912,526 0.923,527 3.5,528 0.054,529 1.556,530 0.688,531 0.938,532 0.236,533 0.221,534 0.099,535 0.123,536 0.077,537 7157,538 17169,539 2.119,540 52.1,541 2,542 14,545 3,547 2,548 4,550 1.645,551 2.06,552 3.598,553 1.032,554 1,555 1,559 74.495,560 1.552,561 3.299,562 4.454,563 5.043,564 5.168,565 5.21,566 3.088,567 4.263,568 4.497,569 3.761,570 951.5,571 7.676,572 11898.3,574 1,576 1,577 268.078,578 0.998,579 4.488,580 0.14,581 0.004,582 0.049,583 0.023,584 0.041,585 0.012,586 0.013,587 0.006,588 0.008,589 0.005,590 0.3,591 0.5,592 1,593 0.393,594 112.366,595 -0.052,596 -0.146,597 0.048,598 -0.052,599 -0.009,600 0.01,601 -0.004,602 -0.027,603 -0.057,604 -0.127,605 0.057,606 -0.106,607 -0.079,608 -0.045,609 -0.012,610 0.007,611 -0.03,612 0.011,613 -0.136,614 0.005,615 -0.121,616 -0.02,617 -0.079,618 -0.058,619 0.059,620 -0.034,621 -0.049,622 -0.047,623 0.041,624 -0.062,625 0.005,626 0.005,627 -0.017,628 -0.031,629 -0.025,630 -0.032,631 0.044,632 -0.076,633 0.061,635 0.013,636 0.026,637 -0.006,638 0.091,639 -0.009,640 0.046,641 -0.018,642 0.025,643 1.853,644 5.161,645 0.696,646 22.624,647 0.999,648 1.148,649 2.481,650 6.155,651 0.621,652 3.258,653 3.497,654 3.689,655 3.892,656 4.111,657 4.007,658 4.043,659 4.06,660 4.078,661 3.871,662 7.281,663 0.583,664 320.46,665 3.258,666 4.745,667 5.549,668 6.378,669 7.2,670 8.036,671 8.866,672 9.706,673 10.542,674 11.385,675 8.3,677 3,684 1,688 3,693 3,695 6,712 1,713 1,714 48,716 7,717 1,718 25,720 50,721 17,722 6,723 3,724 3,730 3,731 4,734 1,740 4,743 5,745 7,746 10,750 1,758 1,759 1,760 1,761 1,762 1,764 25,765 6,766 3,767 6,773 4,777 0.667,778 1,793 3,797 1,814 3,819 2,825 1,827 23,833 9,834 3,835 1,837 1,846 1,847 2.1,852 1,854 11.167,855 8.093,856 5.194,857 3.123,858 1.362,859 1.199,860 0.972,861 6.113,862 8.197,863 3.401,864 3.839,865 4.238,866 4.653,867 5.093,868 5.041,869 5.116,870 5.257,871 5.382,872 5.034,873 1,874 30,875 8.564,877 3.569,878 7.652,879 16.797,881 13.786,883 2.152,884 49.5,888 258.964,889 68.545,890 70.818,892 11,893 14.96,895 68.545,896 269.964,897 85.778,899 20.667,900 82.461,902 45.335,903 16.859,904 258.964,906 258.964,907 139.362,908 25.96,911 203.298,912 81.626,915 91.484,916 47.878,919 273.924,920 81.818,921 68.545,924 258.964,925 40.116,926 28.429,927 54.032,928 42.746,929 258.964,930 96.778,931 68.545,933 0.558,934 0.309,935 0.166,936 0.095,937 14,938 5,939 0.14,940 7,941 1,942 1.125,943 3.831,944 164.734,945 0.125,946 16,947 104.042,951 16.53,952 8.506,953 5.08,955 96.778,956 4.771,961 1.618,963 54.032,964 424.287,965 29,973 4.376,974 0.927,975 47.967,976 55.11,977 0.278,978 0.591,979 0.798,980 0.903,981 0.925,982 0.933,983 4.61,984 1.05,985 5.468,986 3.092,987 4.174,988 4.522,989 1.778,990 6.155,991 4.057,992 5.721,993 1,994 6.938,995 2.239,996 3.434,997 4.086,998 0.623,999 6.763,1000 3.226,1001 6.967,1002 0.732,1003 8.506,1004 2.136,1005 5.638,1006 6.49,1007 1.751,1008 9.842,1009 5.409,1010 8.245,1011 0.37,1012 10.135,1013 1.728,1014 5.74,1015 6.919,1016 1.178,1017 11.332,1018 5.422,1019 9.56,1020 -0.073,1021 11.804,1022 0.826,1023 7.356,1024 8.785,1025 1.914,1026 13.882,1027 7.022,1028 10.9,1029 -0.41,1030 13.503,1031 -0.168,1032 7.902,1033 9.637,1034 1.663,1035 15.766,1036 7.497,1037 12.259,1038 -0.618,1039 15.224,1040 -0.926,1041 9.232,1042 11.263,1043 2.184,1044 18.12,1045 8.807,1046 2.959,1047 -0.76,1048 16.962,1049 -1.723,1050 10.024,1051 12.339,1052 2.128,1053 20.189,1054 9.544,1055 2.522,1056 9.336,1057 18.713,1058 -1.821,1059 11.213,1060 13.845,1061 2.527,1062 22.468,1063 10.707,1064 2.39,1065 6.965,1066 20.475,1067 3.911,1068 12.139,1069 15.045,1070 2.589,1071 24.624,1072 11.588,1073 2.033,1074 6.81,1075 22.246,1076 3.091,1077 13.261,1078 16.488,1079 2.917,1080 26.874,1081 12.682,1082 1.743,1083 5.66,1084 24.025,1085 2.834,1086 14.259,1087 17.757,1088 3.051,1089 29.07,1090 13.639,1091 1.618,1092 4.373,1093 25.81,1094 2.32,1095 15.352,1096 19.166,1097 3.338,1098 31.309,1099 14.701,1100 1.477,1101 3.573,1102 27.602,1103 2.058,1104 16.388,1105 20.474,1106 3.513,1107 33.525,1108 15.698,1109 6793,1110 10654,1111 17.277,1112 29.79,1113 35.868,1114 36.392,1115 35.947,1116 35.868,1117 35.787,1118 41.675,1119 6.093,1120 93.475,1121 33.661,1122 5.254,1123 5.291,1124 6.036,1125 5.015,1126 4.959,1127 6.911,1128 2.232,1129 15.759,1130 4.837,1131 6.388,1132 1.435,1133 1.456,1134 1.438,1135 1.435,1136 1.431,1137 1.667,1138 0.244,1139 3.739,1140 1.346,1141 3.991,1142 4.017,1143 3.933,1144 3.896,1145 8.201,1146 3.9,1147 3.827,1148 3.903,1149 3.725,1150 3.619,1151 4.812,1152 3.632,1153 3.678,1154 3.752,1155 3.547,1156 3.507,1157 4.748,1158 3.505,1159 3.528,1160 3.591,1161 3.381,1162 3.382,1163 4.317,1164 3.37,1165 3.262,1166 3.356,1167 3.095,1168 3.045,1169 4.131,1170 3.043,1171 3.061,1172 3.143,1173 2.899,1174 2.856,1175 3.933,1176 2.861,1177 2.924,1178 3.043,1179 2.825,1180 2.713,1181 3.817,1182 2.728,1183 2.91,1184 2.966,1185 2.702,1186 2.645,1187 3.737,1188 2.64,1189 0.171,1190 0.132,1191 0.248,1192 0.157,1193 0.118,1194 4.283,1195 0.156,1196 3.291,1197 0.051,1198 6.211,1199 0.373,1200 3.918,1201 0.113,1202 2.959,1203 3.911,1204 1.263,1205 9.336,1206 2.837,1207 1.943,1208 1.921,1209 2.064,1210 2.065,1211 1.349,1212 2.064,1213 1.757,1214 1.683,1215 1.965,1216 1.993,1217 1.232,1218 1.987,1219 1.659,1220 1.591,1221 1.898,1222 1.865,1223 1.193,1224 1.88,1225 1.529,1226 1.469,1227 1.758,1228 1.707,1229 0.984,1230 1.727,1231 1.236,1232 1.149,1233 1.531,1234 1.499,1235 0.741,1236 1.517,1237 1.039,1238 0.958,1239 1.336,1240 1.294,1241 0.538,1242 1.318,1243 0.904,1244 0.794,1245 1.285,1246 1.223,1247 0.492,1248 1.25,1249 0.85,1250 0.785,1251 1.127,1252 1.105,1253 0.251,1254 1.112,1255 3.932,1257 5.187,1259 6.64,1261 8.187,1263 9.786,1267 13.161,1271 8.569,1272 9.993,1273 5.915,1275 0.172,1280 27.979,1281 74.495,1282 158.348,1283 213.814,1284 242.078,1285 248.078,1286 250.078,1287 38.052,1288 6.835,1289 57.68,1290 57.68,1291 18,1292 11.95,1293 3,1294 2.322,1295 37.403,1296 102,1297 87,1298 0.174,1299 172.322,1300 302.98,1301 412.226,1302 9231,1303 2.1,1304 15.908,1305 0.692,1306 0.583,1307 15.037,1308 13.407,1309 11.31,1310 0.452,1311 0.34,1312 8.354,1313 10.788,1314 8.257,1315 6.79,1316 10.916,1317 8.491,1318 9.613,1319 0.3,1320 0.188,1321 8.979,1322 6.026,1323 7.683,1324 0.197,1325 0.106,1326 7.348,1327 4.144,1328 6.179,1329 0.129,1330 0.06,1331 5.928,1332 2.891,1333 5.141,1334 0.086,1335 0.035,1336 4.838,1337 2.081,1338 0.289,1339 71.403,1340 0.241,1341 23.63,1342 0.436,1343 114,1344 354.49,1345 128.755,1346 310.939,1347 418.18,1348 294,1349 128,1350 299.317,1351 141.779,1352 291.487,1353 425.21,1354 277,1355 8.1} {0 CHEMBL90443,1 1.432,2 12.696,3 1.75,4 3.064,5 93.304,6 6.144,7 0.25,8 4.011,9 4.173,10 3.391,11 3.434,12 4.977,13 3.389,14 4.571,15 4.796,16 3.669,17 3.797,18 5.469,19 3.71,20 4.853,21 5.129,22 3.652,23 3.903,24 5.671,25 3.777,26 4.823,27 5.113,28 3.519,29 3.839,30 5.587,31 3.687,32 4.776,33 5.077,34 3.342,35 3.763,36 5.544,37 3.59,38 4.743,39 5.075,40 3.201,41 3.674,42 5.38,43 3.472,44 4.565,45 4.873,46 3.149,47 3.575,48 5.273,49 3.382,50 4.516,51 4.833,52 3.075,53 3.512,54 5.176,55 3.315,56 0.104,57 0.747,58 13.22,59 4.476,60 11.093,61 6.914,62 0.256,63 1.094,64 22.961,65 7.23,66 25.257,67 11.293,68 0.468,69 1.229,70 30.233,71 8.415,72 37.913,73 13.707,74 0.354,75 1.164,76 28.91,77 8.066,78 31.791,79 13.402,80 0.373,81 1.095,82 27.589,83 7.271,84 34.658,85 12.484,86 0.297,87 0.979,88 25.977,89 7.306,90 26.259,91 12.322,92 0.321,93 0.87,94 21.927,95 6.756,96 25.645,97 10.794,98 0.247,99 0.817,100 20.66,101 6.265,102 19.618,103 10.271,104 20,105 30,106 0.245,107 0.572,108 0.796,109 0.867,110 0.873,111 0.873,112 3.186,113 1.053,114 -3.36,115 -3.35,116 -3.2,119 32.7,120 2,121 3,125 3,127 2,140 4,141 1,142 1,157 1,161 1,162 1,163 1,167 1,169 6,172 5,173 1,174 2,175 1,176 2,177 1,178 7,182 3,184 2,185 1,186 2,188 1,189 5,193 1,196 1,197 5,199 3,201 2,203 2,207 1,208 5,211 2,213 1,220 2,222 1,229 2,230 1,231 2,232 1,233 4,240 1,242 2,244 2,254 5,256 1,259 779,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 14.43,266 22.761,267 9.755,268 15.839,269 11.904,270 11.904,271 11.904,272 11.904,273 11.904,274 10.357,275 28.488,276 4.717,277 12.504,278 4.269,279 2.362,280 1.058,281 0.644,282 0.606,283 0.606,284 3.855,287 1,288 1,289 1,290 604,291 3.937,295 139.396,299 118.234,302 1.996,303 15.177,305 1,306 1,307 1,308 0.83,309 1,310 1,311 1,312 1,313 0.98,314 49.5,315 292,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 1.2,323 9.226,324 2.805,325 3.825,326 2.986,327 5.257,328 3.419,329 2.496,330 3.074,331 0.86,332 6.678,333 2.305,334 3.388,335 2.555,336 5.203,337 3.259,338 2.304,339 2.443,340 0.4,341 6.547,342 2.19,343 2.939,344 2.114,345 4.415,346 2.886,347 1.929,348 2.077,349 0.129,350 4.392,351 1.843,352 2.927,353 1.987,354 4.325,355 2.679,356 1.724,357 1.991,359 4.37,360 1.643,361 2.862,362 1.89,363 3.809,364 2.59,365 1.618,366 1.931,368 3.567,369 1.566,370 2.738,371 1.582,372 3.619,373 2.404,374 1.423,375 1.74,377 3.023,378 1.39,379 2.285,380 1.441,381 3.377,382 2.16,383 1.226,384 1.268,386 2.563,387 1.142,388 1.909,389 0.826,390 3.161,391 1.721,392 0.738,393 0.835,395 1.659,396 0.723,397 1.66,398 0.781,399 2.883,400 1.512,401 0.563,402 0.601,404 1.229,405 0.531,406 1.109,407 0.263,408 2.475,409 0.937,410 -0.009,411 -0.01,413 -0.022,414 -0.009,415 0.815,416 -0.06,417 2.239,418 0.545,419 -0.392,420 -0.436,422 -0.932,423 -0.365,424 0.689,425 -0.233,426 2,427 0.398,428 -0.537,429 -0.579,431 -1.214,432 -0.5,433 0.605,434 -0.322,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.595,441 -0.596,442 0.285,443 -0.569,444 1.737,445 0.062,446 -0.871,447 -0.918,449 -1.934,450 -0.806,451 10.833,452 0.471,453 0.438,454 0.019,455 22.25,456 0.967,457 8,458 0.348,459 14.25,460 0.62,461 21.992,462 0.956,463 27.567,464 0.53,465 13.715,466 0.596,467 4.26,468 0.185,469 6.888,470 0.299,471 0.129,473 0.231,479 1.048,480 1.448,481 1.044,482 1.289,483 1.207,484 1.176,485 1.088,486 1.219,487 1.058,488 1.222,489 0.773,490 1.148,491 1.409,492 0.909,493 1.099,494 0.943,495 1.193,496 0.98,497 1.269,498 1.058,499 1.06,500 1.012,501 1.072,502 1.015,503 1.292,504 0.976,505 1.197,506 0.993,507 1.476,508 1.063,509 0.937,510 0.852,511 0.909,512 0.836,513 0.865,514 0.859,515 0.763,516 0.878,517 0.976,518 0.98,519 0.801,520 1.005,521 0.688,522 0.97,523 0.902,524 0.969,525 0.734,526 0.962,527 4,528 0.058,529 1.556,530 0.938,531 0.756,532 0.285,533 0.202,534 0.149,535 0.09,536 0.111,537 6730,538 14406,539 1.995,540 55.8,541 2,542 12,545 5,547 8,548 2,550 1.644,551 1.89,552 3.622,553 2.675,554 1,555 1,559 74.445,560 1.432,561 3.339,562 4.642,563 5.056,564 5.094,565 5.094,566 3.088,567 4.263,568 4.497,569 3.82,570 966.525,571 7.675,572 12433.2,574 1,576 1,577 296.423,578 1.264,579 4.465,580 0.167,581 0.004,582 0.052,583 0.033,584 0.031,585 0.015,586 0.012,587 0.009,588 0.006,589 0.008,590 0.338,591 0.17,592 1,593 2.547,594 113.382,595 -0.005,596 -0.016,597 0.032,598 -0.019,599 -0.121,600 0.01,601 0.06,602 -0.017,603 -0.014,604 -0.107,605 0.18,606 -0.074,607 -0.055,608 0.113,609 -0.063,610 0.024,611 -0.08,612 -0.014,613 -0.102,614 -0.078,615 -0.056,616 -0.048,617 -0.044,618 -0.049,619 -0.187,620 0.015,621 -0.192,622 -0.073,623 -0.259,624 -0.124,625 -0.063,626 0.022,627 0.041,628 0.07,629 -0.04,630 0.071,631 0.118,632 0.065,633 -0.017,634 -0.012,635 0.059,636 -0.032,637 0.084,638 -0.053,639 0.039,640 -0.005,641 0.018,642 0.009,643 1.234,644 2.505,645 0.435,646 23.342,647 0.989,648 1.148,649 2.134,650 4.552,651 0.608,652 3.219,653 3.434,654 3.555,655 3.738,656 3.871,657 3.807,658 3.829,659 3.85,660 3.85,661 3.611,662 7.611,663 0.56,664 319.51,665 3.219,666 4.691,667 5.468,668 6.286,669 7.083,670 7.909,671 8.717,672 9.549,673 10.366,674 11.202,675 9.6,676 1,677 3,684 1,688 4,693 2,695 6,712 1,714 52,716 7,717 1,718 24,720 53,721 17,722 6,723 2,724 4,730 2,731 3,734 1,736 2,740 3,743 5,745 7,746 10,750 1,758 1,759 1,760 1,761 1,764 29,765 6,766 5,767 6,773 5,776 1,777 0.5,778 1,793 2,797 1,812 1,814 1,819 1,823 2,827 23,828 1,833 6,834 3,835 1,837 2,847 1.9,852 1,854 12.167,855 9.2,856 5.278,857 3.235,858 1.358,859 1.209,860 0.931,861 7.653,862 7.864,863 3.367,864 3.773,865 4.123,866 4.509,867 4.874,868 4.791,869 4.932,870 5.098,871 5.219,872 4.807,873 1,874 28,875 8.499,877 3.358,878 7.529,879 16.707,881 13.117,883 2.029,884 46.667,885 0.001,888 282.506,889 79.804,890 103.47,892 11,895 79.804,896 293.506,897 103.47,898 17.65,899 46.818,900 91.692,902 36.214,903 1.899,904 282.506,906 282.506,907 183.274,908 11,911 164.795,912 128.711,915 135.041,916 48.233,919 282.506,920 114.47,921 79.804,924 282.506,925 24.249,926 55.555,927 53.787,928 60.683,929 282.506,930 114.47,931 79.804,933 0.553,934 0.289,935 0.155,936 0.078,937 11,938 5,939 0.17,940 9,941 1,942 1.2,943 3.758,944 154.774,945 0.2,946 10,947 102.042,951 18.046,952 9.754,953 6.77,955 114.47,956 8.3,961 2.357,963 86.684,964 476.78,965 28,973 4.18,974 0.433,975 51.44,976 59.683,977 0.251,978 0.586,979 0.814,980 0.887,981 0.894,982 0.894,983 4.559,984 1.226,985 5.389,986 3.023,987 4.111,988 4.454,989 1.664,990 6.052,991 4.014,992 5.667,993 0.738,994 6.849,995 2.563,996 3.434,997 3.951,998 0.623,999 6.653,1000 3.272,1001 6.898,1002 0.563,1003 8.408,1004 1.659,1005 5.549,1006 6.374,1007 1.607,1008 9.708,1009 5.352,1010 8.16,1011 -0.009,1012 10.029,1013 1.229,1014 5.673,1015 6.712,1016 1.024,1017 11.201,1018 5.406,1019 9.459,1020 -0.392,1021 11.692,1022 -0.022,1023 7.244,1024 8.625,1025 1.696,1026 13.741,1027 6.95,1028 10.783,1029 -0.537,1030 13.387,1031 -0.932,1032 7.799,1033 9.402,1034 1.382,1035 15.633,1036 7.441,1037 12.128,1038 -0.618,1039 15.105,1040 -1.214,1041 9.102,1042 11.064,1043 1.865,1044 17.978,1045 8.719,1046 2.923,1047 -0.871,1048 16.842,1049 -1.595,1050 9.895,1051 12.078,1052 1.73,1053 20.05,1054 9.456,1055 2.496,1056 9.226,1057 18.593,1058 -1.934,1059 11.066,1060 13.605,1061 2.094,1062 22.319,1063 10.601,1064 2.304,1065 6.678,1066 20.356,1067 3.815,1068 11.988,1069 14.75,1070 2.077,1071 24.473,1072 11.474,1073 1.929,1074 6.547,1075 22.128,1076 3.074,1077 13.097,1078 16.202,1079 2.366,1080 26.713,1081 12.554,1082 1.724,1083 4.392,1084 23.909,1085 2.443,1086 14.088,1087 17.423,1088 2.426,1089 28.904,1090 13.499,1091 1.618,1092 4.37,1093 25.696,1094 2.077,1095 15.169,1096 18.83,1097 2.67,1098 31.132,1099 14.549,1100 1.423,1101 3.567,1102 27.488,1103 1.991,1104 16.196,1105 20.097,1106 2.777,1107 33.339,1108 15.534,1109 6742,1110 9938,1111 15.89,1112 31.62,1113 34.189,1114 34.139,1115 34.459,1116 33.94,1117 33.888,1118 39.554,1119 5.178,1120 86.509,1121 32.277,1122 5.189,1123 5.256,1124 6.047,1125 4.977,1126 4.923,1127 6.815,1128 2.129,1129 15.535,1130 4.805,1131 11.216,1132 1.425,1133 1.422,1134 1.436,1135 1.414,1136 1.412,1137 1.648,1138 0.216,1139 3.605,1140 1.345,1141 3.983,1142 4.011,1143 3.914,1144 3.896,1145 5.146,1146 3.896,1147 3.761,1148 3.844,1149 3.652,1150 3.556,1151 4.86,1152 3.561,1153 3.672,1154 3.748,1155 3.537,1156 3.497,1157 4.421,1158 3.497,1159 3.538,1160 3.608,1161 3.386,1162 3.391,1163 4.372,1164 3.378,1165 3.35,1166 3.451,1167 3.182,1168 3.077,1169 4.281,1170 3.095,1171 3.192,1172 3.29,1173 3.008,1174 2.977,1175 4.105,1176 2.978,1177 2.983,1178 3.075,1179 2.825,1180 2.754,1181 3.821,1182 2.757,1183 2.874,1184 3.009,1185 2.664,1186 2.644,1187 3.696,1188 2.637,1189 0.176,1190 0.136,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.256,1197 0.05,1198 6.183,1199 0.384,1200 3.882,1201 0.117,1202 2.923,1203 3.815,1204 1.2,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.064,1211 1.35,1212 2.069,1213 1.697,1214 1.623,1215 1.931,1216 1.938,1217 1.207,1218 1.935,1219 1.654,1220 1.583,1221 1.907,1222 1.863,1223 1.074,1224 1.88,1225 1.541,1226 1.479,1227 1.781,1228 1.729,1229 0.996,1230 1.748,1231 1.284,1232 1.185,1233 1.553,1234 1.593,1235 0.748,1236 1.597,1237 1.17,1238 1.081,1239 1.446,1240 1.445,1241 0.532,1242 1.463,1243 0.942,1244 0.86,1245 1.417,1246 1.248,1247 0.469,1248 1.308,1249 0.934,1250 0.804,1251 1.279,1252 1.239,1253 0.256,1254 1.266,1255 3.892,1257 5.13,1259 6.547,1261 8.059,1263 9.628,1265 3.981,1269 5.696,1271 5.839,1272 9.407,1273 6.005,1275 0.469,1280 29.143,1281 74.445,1282 173.62,1283 241.403,1284 262.913,1285 264.913,1286 264.913,1287 39.154,1288 6.506,1289 83.7,1290 83.7,1291 12,1292 11.775,1293 3,1294 2.322,1295 46.021,1296 107,1297 89,1298 0.205,1299 185.312,1300 320.27,1301 443.92,1302 5896,1304 16.493,1305 0.717,1306 0.615,1307 16.493,1308 14.14,1309 11.148,1310 0.464,1311 0.351,1312 8.307,1313 10.696,1314 8.077,1315 6.776,1316 11.148,1317 8.423,1318 9.564,1319 0.319,1320 0.203,1321 9.564,1322 6.104,1323 6.831,1324 0.201,1325 0.107,1326 6.831,1327 3.643,1328 5.611,1329 0.137,1330 0.062,1331 5.611,1332 2.552,1333 4.1,1334 0.087,1335 0.036,1336 4.1,1337 1.678,1338 0.343,1339 69.855,1340 0.251,1341 23.783,1342 0.505,1343 108,1344 269.691,1345 119.951,1346 260.758,1347 357.59,1348 246,1349 118,1350 264.823,1351 129.341,1352 264.791,1353 378.49,1354 250,1355 8.5} {0 CHEMBL905,1 1.416,2 8.6,3 2.068,4 4.275,5 82.845,6 6.907,7 0.682,8 3.761,9 3.909,10 3.282,11 3.248,12 4.797,13 3.223,14 4.295,15 4.518,16 3.584,17 3.641,18 5.222,19 3.592,20 4.426,21 4.64,22 3.464,23 3.762,24 5.272,25 3.637,26 4.608,27 4.898,28 3.397,29 3.747,30 5.341,31 3.588,32 4.448,33 4.731,34 3.376,35 3.615,36 5.231,37 3.485,38 4.31,39 4.546,40 3.328,41 3.547,42 5.189,43 3.431,44 4.353,45 4.646,46 3.152,47 3.432,48 5.147,49 3.291,50 4.156,51 4.458,52 2.91,53 3.21,54 4.948,55 3.058,56 0.058,57 0.628,58 8.893,59 3.138,60 8.58,61 4.755,62 0.224,63 0.962,64 16.392,65 4.877,66 15.621,67 7.694,68 0.104,69 1.037,70 18.155,71 6.97,72 14.736,73 10.344,74 0.177,75 1.078,76 23.172,77 7.942,78 21.606,79 12.311,80 0.172,81 0.951,82 19.677,83 6.595,84 18.789,85 10.261,86 0.139,87 0.897,88 16.589,89 5.502,90 16.477,91 8.561,92 0.205,93 0.84,94 18.193,95 5.297,96 19.133,97 8.624,98 0.203,99 0.672,100 15.043,101 4.415,102 17.236,103 7.109,104 8,105 30,106 0.253,107 0.636,108 0.814,109 0.836,110 0.836,111 0.836,112 3.058,113 0.925,114 -3.61,115 -3.58,116 -3.42,119 38.5,121 1,124 2,125 2,140 3,141 3,146 1,149 1,150 1,158 1,164 1,169 6,171 2,172 2,176 3,178 6,182 4,186 3,189 5,193 6,197 1,199 3,203 6,206 1,211 1,215 6,218 1,226 3,229 1,236 1,237 1,240 1,248 1,259 502,260 13.585,261 13.585,262 13.585,263 13.585,264 13.585,265 11.834,266 15.123,267 8.172,268 13.921,269 10.898,270 10.898,271 10.898,272 10.898,273 10.898,274 8.281,275 19.854,276 3.939,277 11.414,278 3.87,279 1.725,280 0.725,281 0.603,282 0.603,283 0.603,284 3.737,287 1,288 1,289 1,290 368,291 2.915,294 96.184,295 48.83,298 77.431,302 1.46,303 8.053,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 42.5,315 172,316 4.552,317 3.186,318 6.547,319 4.083,320 3.096,321 4.504,322 0.8,323 10.366,324 3.057,325 3.979,326 2.846,327 5.566,328 3.579,329 2.627,330 3.522,331 0.522,332 7.642,333 2.506,334 3.617,335 2.576,336 5.163,337 3.224,338 2.275,339 3.057,341 6.246,342 2.166,343 3.367,344 2.298,345 4.998,346 3.085,347 2.139,348 2.675,350 5.853,351 2.012,352 3.145,353 2.04,354 4.624,355 2.843,356 1.877,357 2.182,359 5.024,360 1.804,361 2.73,362 1.333,363 4.129,364 2.25,365 1.281,366 1.83,368 3.452,369 1.24,370 2.581,371 1.225,372 3.441,373 2.08,374 1.156,375 1.614,377 2.569,378 1.065,379 2.211,380 0.915,381 3.274,382 1.785,383 0.829,384 1.106,386 1.897,387 0.791,388 2.118,389 0.618,390 3,391 1.532,392 0.618,393 0.927,395 1.372,396 0.564,397 1.602,398 0.494,399 2.889,400 1.374,401 0.4,402 0.473,404 0.926,405 0.389,406 1.153,407 0.078,408 2.718,409 0.833,410 -0.133,411 -0.165,413 -0.358,414 -0.128,415 0.633,416 -0.454,417 2.244,418 0.235,419 -0.717,420 -0.858,422 -1.864,423 -0.678,424 0.581,425 -0.6,426 2,427 0.145,428 -0.846,429 -1,431 -2,432 -0.837,433 0.142,434 -0.799,435 1.924,436 -0.1,437 -1,438 -1.208,440 -2.604,441 -0.9,443 -0.962,444 1.662,445 -0.17,446 -1.125,447 -1.413,449 -3.03,450 -1.07,451 9.5,452 0.475,453 0.452,454 0.023,455 25.5,456 1.275,457 12,458 0.6,459 13.5,460 0.675,461 14.205,462 0.71,463 21.7,464 0.556,465 16.027,466 0.801,467 5.216,468 0.261,469 4.505,470 0.225,471 0.105,473 0.295,479 0.889,480 1.526,481 0.849,482 1.205,483 0.786,484 1.051,485 1.376,486 0.819,487 0.949,488 0.71,489 0.88,490 0.765,491 0.826,492 1.239,493 1.177,494 1.348,495 0.986,496 1.314,497 0.725,498 0.948,499 0.881,500 0.979,501 0.755,502 0.955,503 0.714,504 0.945,505 0.804,506 0.917,507 0.692,508 0.879,509 0.966,510 1.292,511 1.123,512 1.278,513 1.053,514 1.229,515 1.117,516 0.969,517 1.018,518 0.952,519 0.952,520 0.969,521 1.021,522 0.814,523 0.995,524 0.885,525 1.086,526 0.929,527 4,528 0.046,529 1.778,530 1.076,531 0.688,532 0.448,533 0.441,534 0.215,535 0.072,536 0.065,537 3902,538 9019,539 2.107,540 48.7,542 13,543 1,544 2,545 1,547 2,550 1.617,551 2,552 3.117,553 -0.271,555 1,557 1,559 55.207,560 1.416,561 3.56,562 4.561,563 4.683,564 4.683,565 4.683,566 2.504,567 3.922,568 4.289,569 3.263,570 619.927,571 7.328,572 6382.27,573 1,574 1,576 1,577 206.131,578 1.295,579 4.266,580 0.182,581 0.008,582 0.059,583 0.043,584 0.03,585 0.019,586 0.021,587 0.013,588 0.006,589 0.011,590 0.391,591 0.67,592 1,593 1.197,594 88.889,595 0.132,596 -0.267,597 0.084,598 -0.128,599 0.116,600 -0.044,601 -0.123,602 0.333,603 0.036,604 0.261,605 0.06,606 0.183,607 -0.124,608 -0.17,609 -0.262,610 -0.266,611 -0.216,612 -0.279,613 0.021,614 -0.051,615 0.077,616 0.028,617 0.061,618 0.055,619 0.109,620 -0.02,621 0.162,622 0.082,623 0.167,624 0.121,625 -0.025,626 -0.249,627 -0.17,628 -0.27,629 -0.104,630 -0.244,631 -0.053,632 -0.034,633 -0.025,634 -0.019,635 0.023,636 -0.019,637 0.055,638 0.101,639 0.004,640 0.037,641 -0.007,642 0.018,643 0.742,644 1.152,645 0.7,646 16.32,647 0.992,648 1.138,649 2.382,650 5.676,651 0.65,652 3.135,653 3.434,654 3.664,655 3.932,656 4.06,657 4.159,658 4.304,659 4.419,660 4.331,661 4.357,662 5.282,663 0.61,664 269.39,665 3.135,666 4.654,667 5.485,668 6.351,669 7.206,670 8.079,671 8.946,672 9.824,673 10.697,674 11.578,675 12.8,678 1,683 2,685 2,687 2,688 6,689 2,690 1,693 2,694 1,695 15,714 39,716 15,717 1,718 22,720 41,721 15,722 10,723 3,724 3,730 3,731 4,743 1,745 10,746 5,760 1,761 1,764 19,765 3,766 1,767 5,773 5,777 0.667,788 1,792 2,793 1,796 1,815 1,819 2,823 2,827 20,833 3,838 1,844 1,854 10,855 7.55,856 4.389,857 2.205,858 2.792,859 1.417,860 0.996,861 3.741,862 9.483,863 3.418,864 4.034,865 4.635,866 5.261,867 5.66,868 6.024,869 6.476,870 6.903,871 6.995,872 7.3,873 0.833,874 25,875 7.348,877 2.995,878 7.483,879 14.406,881 11.595,883 1.983,884 39.667,885 0.001,888 211.88,889 89.34,890 55.135,895 89.34,896 211.88,897 55.135,898 16.793,899 6.746,900 37.476,901 65.609,902 39.249,903 13.915,904 176.567,906 211.88,907 144.475,911 188.338,912 23.542,915 45.67,916 65.357,917 33.449,919 211.88,920 55.135,921 89.34,924 211.88,925 17.834,926 76.407,927 16.786,928 33.449,929 211.88,930 55.135,931 89.34,933 0.574,934 0.314,935 0.17,936 0.088,937 15,938 6,939 0.122,940 5,941 1,942 1.143,943 3.344,944 147.087,945 0.143,946 14,947 84.439,951 13.191,952 5.673,953 3.042,954 2.505,955 36.573,956 11.953,957 8.129,958 3.345,961 2.614,962 1.841,963 16.786,964 356.355,965 29.5,975 38.694,976 44.398,977 0.268,978 0.674,979 0.863,980 0.886,981 0.886,982 0.886,983 4.623,984 0.829,985 5.451,986 2.569,987 4.111,988 4.718,989 0.918,990 6.217,991 4.032,992 5.822,993 0.618,994 6.974,995 1.897,996 3.611,997 4.477,998 0.325,999 7.018,1000 3.516,1001 7.116,1002 0.4,1003 8.596,1004 1.372,1005 5.652,1006 6.958,1007 0.475,1008 10.103,1009 5.52,1010 8.452,1011 -0.133,1012 10.277,1013 0.926,1014 5.994,1015 7.642,1016 0.268,1017 11.791,1018 5.854,1019 9.824,1020 -0.717,1021 11.999,1022 -0.358,1023 7.476,1024 9.53,1025 0.27,1026 14.379,1027 7.311,1028 11.221,1029 -0.846,1030 13.751,1031 -1.864,1032 8.215,1033 10.652,1034 0.188,1035 16.446,1036 8.049,1037 12.64,1038 -1,1039 15.527,1040 -2,1041 9.472,1042 12.303,1043 0.166,1044 18.868,1045 9.288,1046 3.096,1047 -1.125,1048 17.32,1049 -2.604,1050 10.408,1051 13.633,1052 0.125,1053 21.095,1054 10.224,1055 2.627,1056 10.366,1057 19.128,1058 -3.03,1059 11.575,1060 15.19,1061 0.105,1062 23.46,1063 11.378,1064 2.275,1065 7.642,1066 20.949,1067 4.504,1068 12.607,1069 16.615,1070 0.082,1071 25.752,1072 12.408,1073 2.139,1074 6.246,1075 22.78,1076 3.522,1077 13.74,1078 18.136,1079 0.067,1080 28.098,1081 13.531,1082 1.877,1083 5.853,1084 24.619,1085 3.057,1086 14.819,1087 19.604,1088 0.054,1089 30.417,1090 14.605,1091 1.281,1092 5.024,1093 26.465,1094 2.675,1095 15.942,1096 21.113,1097 0.043,1098 32.757,1099 15.719,1100 1.156,1101 3.452,1102 28.317,1103 2.182,1104 17.043,1105 22.6,1106 0.035,1107 35.086,1108 16.813,1109 3817,1110 5917,1111 14.909,1112 25.358,1113 32.985,1114 32.371,1115 32.717,1116 32.577,1117 32.598,1118 43.777,1119 2.643,1120 90.695,1121 31.187,1122 5.385,1123 5.186,1124 6.162,1125 5.134,1126 5.096,1127 7.504,1128 1.322,1129 17.03,1130 5.057,1131 8.014,1132 1.499,1133 1.471,1134 1.487,1135 1.481,1136 1.482,1137 1.99,1138 0.12,1139 4.123,1140 1.418,1141 4.142,1142 4.178,1143 4.099,1144 4.059,1145 5.089,1146 4.065,1147 3.859,1148 3.941,1149 3.814,1150 3.597,1151 4.946,1152 3.637,1153 3.654,1154 3.739,1155 3.513,1156 3.453,1157 4.334,1158 3.461,1159 3.427,1160 3.489,1161 3.323,1162 3.256,1163 4.259,1164 3.265,1165 3.151,1166 3.243,1167 2.973,1168 2.964,1169 3.824,1170 2.956,1171 2.906,1172 3.009,1173 2.704,1174 2.751,1175 3.669,1176 2.727,1177 2.874,1178 2.99,1179 2.601,1180 2.618,1181 3.518,1182 2.57,1183 2.766,1184 2.855,1185 2.499,1186 2.559,1187 3.467,1188 2.557,1189 0.207,1190 0.145,1191 0.298,1192 0.186,1193 0.141,1194 4.552,1195 0.205,1196 3.186,1197 0.036,1198 6.547,1199 0.471,1200 4.083,1201 0.139,1202 3.096,1203 4.504,1204 0.8,1205 10.366,1206 3.057,1207 1.966,1208 1.943,1209 2.058,1210 2.051,1211 1.28,1212 2.055,1213 1.691,1214 1.627,1215 1.909,1216 1.903,1217 1.126,1218 1.911,1219 1.468,1220 1.389,1221 1.692,1222 1.75,1223 0.812,1224 1.721,1225 1.436,1226 1.356,1227 1.618,1228 1.672,1229 0.756,1230 1.673,1231 1.213,1232 1.134,1233 1.417,1234 1.495,1235 0.499,1236 1.464,1237 1.088,1238 0.995,1239 1.399,1240 1.356,1241 0.469,1242 1.377,1243 0.934,1244 0.821,1245 1.362,1246 1.239,1247 0.256,1248 1.308,1249 0.888,1250 0.804,1251 1.124,1252 1.072,1253 0.184,1254 1.099,1255 3.807,1257 5.106,1258 3.045,1259 6.575,1260 5.283,1261 8.131,1262 7.273,1263 9.741,1265 4.204,1271 2.869,1276 2.206,1280 23.795,1281 55.207,1282 138.846,1283 177.866,1284 182.621,1285 182.621,1286 182.621,1287 20.491,1288 6.691,1289 49.74,1290 49.74,1291 16,1292 12.115,1293 4,1294 3.087,1295 29.976,1296 62,1297 59,1298 0.239,1299 148.882,1300 237.44,1301 355.033,1302 6380,1304 13.949,1305 0.697,1306 0.594,1307 13.949,1308 11.874,1309 9.72,1310 0.442,1311 0.308,1312 6.665,1313 9.294,1314 6.422,1315 5.402,1316 9.72,1317 6.782,1318 8.798,1319 0.293,1320 0.178,1321 8.798,1322 5.34,1323 6.927,1324 0.182,1325 0.091,1326 6.927,1327 3.471,1328 5.774,1329 0.115,1330 0.048,1331 5.774,1332 2.376,1333 4.282,1334 0.075,1335 0.028,1336 4.282,1337 1.598,1338 0.37,1339 61.124,1340 0.259,1341 20.006,1342 0.668,1343 104,1344 264.913,1345 112.437,1346 263.477,1347 366.54,1348 248,1349 120,1350 275.955,1351 129.825,1352 285.705,1353 408.05,1354 264,1355 7.634} {0 CHEMBL90981,1 1.498,2 12.125,3 1.721,4 2.963,5 93.176,6 6.61,7 0.231,8 3.993,9 4.134,10 3.452,11 3.461,12 4.955,13 3.43,14 4.579,15 4.781,16 3.756,17 3.85,18 5.517,19 3.776,20 4.904,21 5.16,22 3.812,23 3.986,24 5.769,25 3.886,26 4.857,27 5.13,28 3.588,29 3.867,30 5.741,31 3.731,32 4.711,33 4.997,34 3.342,35 3.742,36 5.46,37 3.578,38 4.637,39 4.93,40 3.253,41 3.666,42 5.359,43 3.485,44 4.568,45 4.867,46 3.189,47 3.573,48 5.29,49 3.397,50 4.459,51 4.755,52 3.132,53 3.466,54 5.241,55 3.306,56 0.042,57 0.739,58 11.988,59 4.404,60 5.898,61 6.535,62 0.272,63 1.15,64 22.449,65 7.603,66 22.863,67 11.286,68 0.434,69 1.374,70 31.983,71 9.16,72 40.061,73 14.484,74 0.527,75 1.256,76 30.786,77 8.432,78 49.768,79 13.579,80 0.323,81 1.078,82 26.188,83 7.846,84 32.467,85 12.447,86 0.298,87 0.995,88 24.175,89 7.771,90 28.18,91 11.999,92 0.292,93 0.911,94 22.645,95 6.938,96 26.19,97 11.027,98 0.282,99 0.833,100 20.378,101 5.845,102 28.674,103 9.554,104 2,105 33,106 0.257,107 0.58,108 0.793,109 0.899,110 0.906,111 0.906,112 3.226,113 1.021,114 -3.11,115 -3.11,116 -2.99,119 36,121 5,125 4,127 1,140 4,141 1,142 1,156 1,157 1,169 7,172 5,174 3,175 1,176 3,178 6,182 5,184 1,186 2,189 5,192 1,193 2,195 1,196 1,197 4,199 3,203 1,208 2,211 2,215 1,218 1,219 1,220 2,222 3,229 1,231 2,233 2,240 1,242 3,244 2,248 1,249 1,252 1,254 3,256 1,259 802,260 16.621,261 16.621,262 16.621,263 16.621,264 16.621,265 15.43,266 24.732,267 10.417,268 16.968,269 12.904,270 12.904,271 12.904,272 12.904,273 12.904,274 11.08,275 31.136,276 5.037,277 13.473,278 4.145,279 2.26,280 1.02,281 0.4,282 0.36,283 0.36,284 3.919,287 1,288 1,289 1,290 628,291 2.915,295 137.849,296 96.275,299 116.85,302 1.875,303 20.95,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 52,315 291,316 4.228,317 3.61,318 6.183,319 3.882,320 2.923,321 3.815,322 1.913,323 9.226,324 2.805,325 3.936,326 3.256,327 5.487,328 3.579,329 2.633,330 3.193,331 1.234,332 7.4,333 2.503,334 3.443,335 2.92,336 5.257,337 3.259,338 2.304,339 2.594,340 0.86,341 6.678,342 2.19,343 3.388,344 2.555,345 4.789,346 3.052,347 2.072,348 2.443,349 0.4,350 5.43,351 2.002,352 2.928,353 1.993,354 4.415,355 2.661,356 1.702,357 2.077,358 0.269,359 4.371,360 1.63,361 2.865,362 1.889,363 3.79,364 2.589,365 1.618,366 1.988,367 0.064,368 3.513,369 1.565,370 2.727,371 1.701,372 3.632,373 2.438,374 1.47,375 1.728,377 3.086,378 1.419,379 2.492,380 1.491,381 3.612,382 2.394,383 1.41,384 1.486,386 3.006,387 1.382,388 2.135,389 1.366,390 3.323,391 2.019,392 1.084,393 1.116,395 2.317,396 1.011,397 1.889,398 1.022,399 3.152,400 1.674,401 0.701,402 0.809,404 1.603,405 0.679,406 1.516,407 0.806,408 2.843,409 1.353,410 0.414,411 0.433,413 0.923,414 0.387,415 1.286,416 0.649,417 2.44,418 1.068,419 0.094,420 0.102,422 0.203,423 0.09,424 0.897,425 0.144,426 2.364,427 0.686,428 -0.269,429 -0.293,431 -0.644,432 -0.254,433 0.81,434 -0.017,435 2.226,436 0.526,437 -0.421,438 -0.472,440 -1.06,441 -0.396,442 0.689,443 -0.188,444 2,445 0.352,446 -0.618,447 -0.729,449 -1.514,450 -0.595,451 11.267,452 0.469,453 0.362,454 0.015,455 25.25,456 1.052,457 9.5,458 0.396,459 15.75,460 0.656,461 21.303,462 0.888,463 27.733,464 0.555,465 16.012,466 0.667,467 4.847,468 0.202,469 6.963,470 0.29,471 0.03,473 0.222,479 0.872,480 1.499,481 0.915,482 1.254,483 0.613,484 1.104,485 0.875,486 1.172,487 1.041,488 1.219,489 0.639,490 1.16,491 1.28,492 1.025,493 1.015,494 0.94,495 1.086,496 0.939,497 1.236,498 0.945,499 1.154,500 0.975,501 1.039,502 1.037,503 1.069,504 0.951,505 1.073,506 0.966,507 1.01,508 1.011,509 0.788,510 0.915,511 0.985,512 1.011,513 0.784,514 1.029,515 0.801,516 0.959,517 0.927,518 0.95,519 0.814,520 0.959,521 0.884,522 0.963,523 0.972,524 0.926,525 0.889,526 0.951,527 3.5,528 0.079,529 1.556,530 0.938,531 0.846,532 0.254,533 0.176,534 0.096,535 0.121,536 0.056,537 7987,538 18468,539 2.114,540 52,541 2,542 13,545 3,546 2,547 4,548 2,550 1.657,551 2.057,552 3.553,553 0.998,554 1,555 1,559 74.923,560 1.498,561 3.384,562 4.623,563 5.244,564 5.284,565 5.284,566 2.939,567 4.252,568 4.564,569 3.759,570 1037.36,571 7.806,572 13528.6,574 1,576 1,577 282.193,578 0.974,579 4.551,580 0.135,581 0.005,582 0.047,583 0.028,584 0.034,585 0.013,586 0.01,587 0.006,588 0.008,589 0.003,590 0.287,591 0.33,592 1,593 0.382,594 118.989,595 -0.051,596 -0.157,597 0.05,598 -0.049,599 -0.005,600 0.009,601 0.096,602 0.005,603 -0.058,604 -0.142,605 0.066,606 -0.127,607 -0.096,608 -0.028,609 -0.006,610 0.023,611 -0.078,612 0.023,613 -0.062,614 0.036,615 -0.143,616 -0.055,617 -0.008,618 -0.103,619 -0.136,620 -0.009,621 -0.1,622 -0.013,623 -0.109,624 -0.045,625 0.014,626 0.01,627 -0.031,628 -0.044,629 -0.016,630 -0.048,631 0.033,632 -0.057,633 0.033,634 0.002,635 -0.013,636 0.012,637 0.002,638 -0.028,639 0.001,640 0.003,641 -0.012,642 0.002,643 1.619,644 4.433,645 0.708,646 21.75,647 0.996,648 1.14,649 1.879,650 3.531,651 0.626,652 3.296,653 3.526,654 3.714,655 3.912,656 4.094,657 4.078,658 4.025,659 4.007,660 4.025,661 3.829,662 7.434,663 0.586,664 330.48,665 3.296,666 4.779,667 5.58,668 6.405,669 7.22,670 8.052,671 8.874,672 9.708,673 10.534,674 11.37,675 8,677 2,682 1,684 1,688 4,693 2,695 6,712 1,714 50,716 8,717 1,718 26,720 52,721 18,722 6,723 2,724 4,730 3,731 4,734 1,740 5,743 6,745 8,746 10,750 2,755 1,758 1,759 2,760 1,761 1,764 26,765 6,766 3,767 6,773 4,777 0.667,778 2,793 2,794 1,797 1,805 1,814 2,819 2,827 24,833 9,834 3,835 1,837 1,847 4,850 1,852 1,854 11.667,855 8.45,856 5.444,857 3.247,858 1.457,859 1.211,860 0.964,861 6.499,862 8.373,863 3.466,864 3.882,865 4.245,866 4.653,867 5.029,868 5,869 5.079,870 5.18,871 5.302,872 4.93,873 0.875,874 34,875 8.921,877 3.686,878 7.604,879 17.529,881 14.315,883 2.104,884 50.5,888 270.735,889 74.033,890 70.818,892 36.145,895 74.033,896 306.88,897 70.818,899 39.106,900 73.926,901 29.85,902 36.214,903 1.899,904 270.735,906 270.735,907 144.851,908 36.145,911 200.109,912 106.771,915 91.913,916 52.938,919 270.735,920 106.963,921 74.033,924 270.735,925 36.128,926 37.905,927 54.032,928 52.93,929 270.735,930 106.963,931 74.033,933 0.556,934 0.309,935 0.168,936 0.092,937 14,938 5,939 0.135,940 7,941 1,942 1.118,943 3.899,944 174.542,945 0.118,946 17,947 110.039,951 17.245,952 9.044,953 5.484,955 106.963,956 8.275,961 2.337,963 54.032,964 451.731,965 31,970 11.433,973 4.319,974 0.663,975 49.781,976 56.979,977 0.266,978 0.6,979 0.819,980 0.929,981 0.936,982 0.936,983 4.668,984 1.41,985 5.493,986 3.086,987 4.205,988 4.564,989 2.455,990 6.172,991 4.12,992 5.775,993 1.084,994 6.957,995 3.006,996 3.434,997 4.06,998 1.755,999 6.763,1000 3.313,1001 7.015,1002 0.701,1003 8.52,1004 2.317,1005 5.659,1006 6.487,1007 3.133,1008 9.844,1009 5.485,1010 8.284,1011 0.414,1012 10.145,1013 1.603,1014 5.74,1015 6.838,1016 3.135,1017 11.329,1018 5.519,1019 9.589,1020 0.094,1021 11.811,1022 0.923,1023 7.361,1024 8.721,1025 4.144,1026 13.865,1027 7.098,1028 10.917,1029 -0.269,1030 13.507,1031 0.203,1032 7.897,1033 9.504,1034 4.473,1035 15.743,1036 7.584,1037 12.264,1038 -0.421,1039 15.226,1040 -0.644,1041 9.221,1042 11.141,1043 5.311,1044 18.077,1045 8.872,1046 2.923,1047 -0.618,1048 16.961,1049 -1.06,1050 10.006,1051 12.154,1052 5.798,1053 20.135,1054 9.606,1055 2.633,1056 9.226,1057 18.709,1058 -1.514,1059 11.185,1060 13.664,1061 6.548,1062 22.394,1063 10.75,1064 2.304,1065 7.4,1066 20.468,1067 3.815,1068 12.101,1069 14.807,1070 7.113,1071 24.535,1072 11.617,1073 2.072,1074 6.678,1075 22.235,1076 3.193,1077 13.211,1078 16.247,1079 7.817,1080 26.766,1081 12.692,1082 1.702,1083 5.43,1084 24.01,1085 2.594,1086 14.196,1087 17.466,1088 8.421,1089 28.947,1090 13.631,1091 1.618,1092 4.371,1093 25.791,1094 2.443,1095 15.275,1096 18.865,1097 9.1,1098 31.169,1099 14.673,1100 1.47,1101 3.513,1102 27.577,1103 2.077,1104 16.296,1105 20.128,1106 9.725,1107 33.37,1108 15.65,1109 7578,1110 11620,1111 17.97,1112 31.307,1113 37.051,1114 38.04,1115 37.118,1116 36.863,1117 36.848,1118 43.565,1119 9.479,1120 95.508,1121 35.324,1122 5.207,1123 5.61,1124 6.01,1125 4.978,1126 4.923,1127 6.815,1128 3.317,1129 15.535,1130 4.805,1131 6.523,1132 1.425,1133 1.463,1134 1.428,1135 1.418,1136 1.417,1137 1.676,1138 0.365,1139 3.673,1140 1.359,1141 3.984,1142 4.013,1143 3.915,1144 3.897,1145 7.429,1146 3.896,1147 3.838,1148 3.901,1149 3.753,1150 3.637,1151 4.862,1152 3.653,1153 3.684,1154 3.755,1155 3.546,1156 3.517,1157 4.706,1158 3.514,1159 3.532,1160 3.596,1161 3.386,1162 3.391,1163 4.386,1164 3.379,1165 3.299,1166 3.388,1167 3.165,1168 3.072,1169 4.189,1170 3.081,1171 3.194,1172 3.251,1173 3.063,1174 2.94,1175 3.951,1176 2.96,1177 3.121,1178 3.205,1179 2.95,1180 2.915,1181 3.82,1182 2.922,1183 2.921,1184 2.994,1185 2.779,1186 2.73,1187 3.679,1188 2.73,1189 0.163,1190 0.139,1191 0.238,1192 0.149,1193 0.112,1194 4.228,1195 0.147,1196 3.61,1197 0.074,1198 6.183,1199 0.355,1200 3.882,1201 0.108,1202 2.923,1203 3.815,1204 1.913,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.078,1210 2.063,1211 1.35,1212 2.069,1213 1.699,1214 1.627,1215 1.929,1216 1.922,1217 1.212,1218 1.926,1219 1.648,1220 1.591,1221 1.89,1222 1.839,1223 1.198,1224 1.857,1225 1.565,1226 1.505,1227 1.784,1228 1.787,1229 0.996,1230 1.777,1231 1.43,1232 1.362,1233 1.61,1234 1.662,1235 0.755,1236 1.67,1237 1.201,1238 1.12,1239 1.5,1240 1.455,1241 0.661,1242 1.477,1243 0.954,1244 0.876,1245 1.289,1246 1.23,1247 0.509,1248 1.252,1249 0.833,1250 0.765,1251 1.134,1252 1.056,1253 0.247,1254 1.081,1255 3.97,1257 5.22,1259 6.65,1260 2.708,1261 8.171,1262 5.094,1263 9.745,1271 7.777,1272 9.433,1273 6.015,1275 0.248,1280 29.31,1281 74.923,1282 169.218,1283 231.173,1284 262.193,1285 264.193,1286 264.193,1287 39.057,1288 6.916,1289 74.75,1290 74.75,1291 19,1292 11.941,1293 3.17,1294 2.585,1295 39.836,1296 111,1297 76,1298 0.172,1299 181.785,1300 320.36,1301 435.316,1302 10612,1304 16.615,1305 0.692,1306 0.584,1307 16.615,1308 14.014,1309 11.81,1310 0.454,1311 0.34,1312 8.723,1313 11.342,1314 8.603,1315 7.092,1316 11.81,1317 8.845,1318 9.967,1319 0.302,1320 0.189,1321 9.967,1322 6.253,1323 7.918,1324 0.198,1325 0.107,1326 7.918,1327 4.286,1328 6.445,1329 0.132,1330 0.061,1331 6.445,1332 2.972,1333 5.171,1334 0.088,1335 0.035,1336 5.171,1337 2.091,1338 0.285,1339 74.068,1340 0.236,1341 24.452,1342 0.429,1343 118,1344 324.115,1345 131.471,1346 306.787,1347 416.69,1348 290,1349 132,1350 300.183,1351 144.696,1352 297.846,1353 432.52,1354 283,1355 6.8} {0 CHEMBL91123,1 1.366,2 11.864,3 2.397,4 5.748,5 89.535,6 6.153,7 0.25,8 3.958,9 4.102,10 3.366,11 3.455,12 4.826,13 3.4,14 4.562,15 4.773,16 3.651,17 3.85,18 5.369,19 3.751,20 4.867,21 5.144,22 3.633,23 3.947,24 5.59,25 3.802,26 4.785,27 5.072,28 3.398,29 3.83,30 5.466,31 3.656,32 4.681,33 4.981,34 3.235,35 3.731,36 5.294,37 3.535,38 4.61,39 4.919,40 3.137,41 3.637,42 5.211,43 3.429,44 4.524,45 4.838,46 3.067,47 3.529,48 5.135,49 3.328,50 4.395,51 4.704,52 2.982,53 3.431,54 5.019,55 3.244,56 0.063,57 0.709,58 12.301,59 4.672,60 6.485,61 6.924,62 0.196,63 1.134,64 22.493,65 7.782,66 16.436,67 11.751,68 0.362,69 1.326,70 30.147,71 9.485,72 27.261,73 14.794,74 0.325,75 1.201,76 27.586,77 8.669,78 24.244,79 13.558,80 0.222,81 1.071,82 24.351,83 8.235,84 18.001,85 12.771,86 0.213,87 0.984,88 22.558,89 7.788,90 17.21,91 11.979,92 0.239,93 0.892,94 20.774,95 6.791,96 16.777,97 10.71,98 0.173,99 0.804,100 18.271,101 5.848,102 13.976,103 9.327,105 30,106 0.236,107 0.53,108 0.761,109 0.894,110 0.901,111 0.901,112 3.144,113 1.08,114 -3.94,115 -3.9,116 -3.7,119 36.7,121 6,125 4,127 1,140 4,141 1,142 1,156 1,169 8,172 5,174 1,176 3,178 7,182 4,184 1,186 2,189 5,193 2,196 1,197 2,199 4,203 1,208 2,211 3,218 1,220 3,222 2,229 1,231 3,233 2,242 2,244 2,248 1,249 2,254 2,256 2,259 652,260 15.466,261 15.466,262 15.466,263 15.466,264 15.466,265 14.43,266 22.599,267 9.798,268 15.781,269 11.921,270 11.921,271 11.921,272 11.921,273 11.921,274 10.373,275 27.49,276 4.74,277 12.446,278 4.249,279 2.551,280 1.214,281 0.449,282 0.408,283 0.408,284 3.838,287 1,288 1,289 1,290 569,291 2.828,295 203.948,299 105.129,302 1.798,303 12.793,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 46.5,315 261,316 4.228,317 3.256,318 6.183,319 3.882,320 2.923,321 3.815,322 1.408,323 9.226,324 2.805,325 3.842,326 3.096,327 5.34,328 3.462,329 2.522,330 3.091,331 0.86,332 6.965,333 2.371,334 3.388,335 2.555,336 5.257,337 3.259,338 2.303,339 2.443,340 0.4,341 6.678,342 2.189,343 2.928,344 1.997,345 4.415,346 2.718,347 1.755,348 2.077,349 0.269,350 4.371,351 1.688,352 2.866,353 1.895,354 3.819,355 2.59,356 1.618,357 1.988,359 3.579,360 1.568,361 2.743,362 1.669,363 3.631,364 2.458,365 1.492,366 1.748,368 3.117,369 1.437,370 2.505,371 1.476,372 3.584,373 2.387,374 1.401,375 1.497,377 2.988,378 1.376,379 2.158,380 1.314,381 3.266,382 1.992,383 1.046,384 1.103,386 2.227,387 0.986,388 2.037,389 1.288,390 3.247,391 1.957,392 1,393 1.027,395 2.136,396 0.955,397 1.882,398 0.806,399 3.136,400 1.668,401 0.695,402 0.803,404 1.589,405 0.673,406 1.399,407 0.623,408 2.755,409 1.27,410 0.335,411 0.349,413 0.747,414 0.312,415 0.896,416 0.006,417 2.338,418 0.721,419 -0.225,420 -0.238,422 -0.524,423 -0.212,424 0.69,425 -0.28,426 2.131,427 0.395,428 -0.555,429 -0.591,431 -1.23,432 -0.522,433 0.569,434 -0.345,435 2,436 0.352,437 -0.618,438 -0.729,440 -1.596,441 -0.596,442 0.298,443 -0.53,444 1.773,445 0.059,446 -0.888,447 -0.932,449 -1.918,450 -0.836,451 10.533,452 0.479,453 0.256,454 0.012,455 22,456 1,457 8,458 0.364,459 14,460 0.636,461 20.152,462 0.916,463 25.467,464 0.52,465 12.102,466 0.55,467 3.971,468 0.181,469 6.945,470 0.316,473 0.19,479 0.978,480 1.446,481 0.997,482 1.257,483 0.905,484 1.144,485 1.215,486 1.253,487 1.132,488 1.221,489 1.116,490 1.172,491 1.397,492 0.977,493 1.04,494 0.942,495 1.267,496 0.954,497 1.422,498 0.937,499 1.149,500 0.971,501 1.327,502 1.022,503 0.999,504 0.987,505 1.022,506 0.992,507 0.977,508 1.007,509 0.783,510 0.973,511 0.951,512 0.998,513 0.781,514 0.994,515 0.825,516 0.931,517 0.915,518 0.903,519 0.812,520 0.915,521 0.975,522 0.916,523 0.969,524 0.895,525 1.004,526 0.917,527 2.5,528 0.037,529 1.333,530 0.5,531 0.667,532 0.208,533 0.14,534 0.068,535 0.098,536 0.057,537 6436,538 12014,539 2.153,540 55.1,541 4,542 13,545 2,546 2,547 4,548 2,550 1.632,551 2.129,552 3.537,553 0.259,554 1,555 1,559 66.925,560 1.366,561 3.064,562 4.4,563 5.166,564 5.207,565 5.207,566 2.936,567 3.754,568 4.435,569 3.697,570 853.933,571 7.549,572 10349.1,574 1,576 1,577 275.121,578 0.684,579 4.439,580 0.104,581 0.003,582 0.044,583 0.018,584 0.032,585 0.012,586 0.009,587 0.005,588 0.007,589 0.004,590 0.237,591 0.5,592 1,594 105.786,595 -0.002,596 -0.121,597 0.063,598 -0.037,599 0.053,600 0.013,601 -0.027,602 -0.086,603 -0.088,604 -0.143,605 0.003,606 -0.122,607 -0.041,608 0.014,609 -0.018,610 0.011,611 -0.036,612 0.001,613 -0.144,614 0.045,615 -0.138,616 -0.037,617 -0.169,618 -0.08,619 -0.079,620 -0.042,621 -0.057,622 -0.034,623 -0.08,624 -0.042,625 0.037,626 -0.051,627 -0.001,628 -0.045,629 0.047,630 -0.032,631 0.085,632 -0.016,633 0.045,634 0.024,635 0.059,636 0.028,637 -0.069,638 0.035,640 0.032,641 -0.088,642 0.027,643 1.023,644 2.536,645 0.727,646 20,647 0.984,648 1.136,649 2.713,650 7.359,651 0.625,652 3.219,653 3.434,654 3.638,655 3.829,656 4.025,657 3.892,658 3.912,659 3.932,660 3.951,661 3.738,662 7.038,663 0.573,664 301.48,665 3.219,666 4.691,667 5.493,668 6.312,669 7.128,670 7.955,671 8.778,672 9.609,673 10.437,674 11.271,675 6.1,677 2,684 1,688 4,693 2,695 6,712 1,714 49,716 7,717 1,718 24,720 51,721 18,722 6,723 2,724 4,730 3,731 4,740 6,743 7,745 7,746 11,750 1,758 1,759 1,760 1,761 1,764 27,765 4,766 2,767 4,773 3,774 1,777 0.667,778 1,793 3,797 1,814 2,819 2,827 22,833 10,834 2,835 1,837 1,847 2,852 1,854 10.333,855 8.283,856 5.028,857 3.331,858 1.352,859 1.201,860 0.967,861 5.997,862 8.073,863 3.367,864 3.773,865 4.171,866 4.563,867 4.969,868 4.831,869 4.967,870 5.128,871 5.256,872 4.863,873 0.875,874 28,875 8.195,877 3.356,878 7.356,879 16.56,881 13.709,883 1.856,884 40.833,885 0.002,887 1,888 294.278,889 72.292,890 52.807,892 11,895 72.292,896 305.277,897 52.807,899 23.63,900 73.926,901 2.328,902 36.214,904 294.278,906 294.278,907 125.099,908 11,911 223.651,912 81.626,915 76.437,916 48.662,919 294.278,920 63.807,921 72.292,924 294.278,925 34.387,926 37.905,927 36.022,928 27.785,929 294.278,930 63.807,931 72.292,933 0.55,934 0.309,935 0.168,936 0.092,937 13,938 4,939 0.137,940 7,941 1,942 1.125,943 3.777,944 153.891,945 0.125,946 16,947 98.107,951 15.666,952 8.422,953 4.898,955 63.807,956 8.383,961 2.411,963 36.022,964 430.376,965 28,973 4.507,974 1.207,975 48.236,976 55.687,977 0.243,978 0.546,979 0.784,980 0.92,981 0.927,982 0.927,983 4.559,984 1.046,985 5.389,986 2.988,987 4.111,988 4.454,989 1.845,990 6.057,991 4.025,992 5.646,993 1,994 6.843,995 2.227,996 3.219,997 3.829,998 0.904,999 6.629,1000 3.066,1001 6.874,1002 0.695,1003 8.398,1004 2.136,1005 5.549,1006 6.374,1007 1.995,1008 9.728,1009 5.371,1010 8.134,1011 0.335,1012 10.02,1013 1.589,1014 5.565,1015 6.675,1016 1.671,1017 11.237,1018 5.31,1019 9.436,1020 -0.225,1021 11.689,1022 0.747,1023 7.252,1024 8.631,1025 2.383,1026 13.773,1027 6.983,1028 10.765,1029 -0.555,1030 13.39,1031 -0.524,1032 7.751,1033 9.394,1034 2.379,1035 15.673,1036 7.411,1037 12.116,1038 -0.618,1039 15.115,1040 -1.23,1041 9.117,1042 11.071,1043 2.907,1044 18.008,1045 8.758,1046 2.923,1047 -0.888,1048 16.857,1049 -1.596,1050 9.88,1051 12.078,1052 3.073,1053 20.081,1054 9.459,1055 2.522,1056 9.226,1057 18.613,1058 -1.918,1059 11.084,1060 13.612,1061 3.509,1062 22.343,1063 10.64,1064 2.303,1065 6.965,1066 20.379,1067 3.815,1068 11.989,1069 14.753,1070 3.762,1071 24.495,1072 11.491,1073 1.755,1074 6.678,1075 22.154,1076 3.091,1077 13.114,1078 16.207,1079 4.152,1080 26.73,1081 12.589,1082 1.618,1083 4.371,1084 23.936,1085 2.443,1086 14.096,1087 17.426,1088 4.449,1089 28.918,1090 13.521,1091 1.492,1092 3.579,1093 25.723,1094 2.077,1095 15.185,1096 18.834,1097 4.816,1098 31.143,1099 14.579,1100 1.401,1101 3.117,1102 27.515,1103 1.988,1104 16.206,1105 20.099,1106 5.136,1107 33.348,1108 15.555,1109 6065,1110 8373,1111 16.871,1112 30.608,1113 34.288,1114 34.465,1115 34.265,1116 34.202,1117 34.181,1118 39.884,1119 5.874,1120 87.247,1121 32.721,1122 5.2,1123 5.256,1124 6.008,1125 4.978,1126 4.923,1127 6.815,1128 2.428,1129 15.535,1130 4.805,1132 1.429,1133 1.436,1134 1.428,1135 1.425,1136 1.424,1137 1.662,1138 0.245,1139 3.635,1140 1.363,1141 3.985,1142 4.014,1143 3.915,1144 3.897,1145 4.862,1146 3.897,1147 3.854,1148 3.919,1149 3.744,1150 3.694,1151 4.689,1152 3.696,1153 3.679,1154 3.752,1155 3.538,1156 3.517,1157 4.386,1158 3.512,1159 3.522,1160 3.587,1161 3.365,1162 3.384,1163 4.19,1164 3.37,1165 3.259,1166 3.354,1167 3.085,1168 3.047,1169 3.943,1170 3.044,1171 3.071,1172 3.153,1173 2.899,1174 2.895,1175 3.819,1176 2.882,1177 2.996,1178 3.098,1179 2.763,1180 2.779,1181 3.657,1182 2.767,1183 2.891,1184 2.959,1185 2.749,1186 2.712,1187 3.476,1188 2.709,1189 0.176,1190 0.136,1191 0.258,1192 0.162,1193 0.122,1194 4.228,1195 0.159,1196 3.256,1197 0.059,1198 6.183,1199 0.384,1200 3.882,1201 0.117,1202 2.923,1203 3.815,1204 1.408,1205 9.226,1206 2.805,1207 1.948,1208 1.925,1209 2.079,1210 2.064,1211 1.351,1212 2.069,1213 1.816,1214 1.753,1215 2.024,1216 2.006,1217 1.332,1218 2.015,1219 1.669,1220 1.6,1221 1.91,1222 1.868,1223 1.203,1224 1.887,1225 1.534,1226 1.473,1227 1.778,1228 1.706,1229 0.996,1230 1.734,1231 1.239,1232 1.152,1233 1.538,1234 1.499,1235 0.757,1236 1.519,1237 1.083,1238 1.002,1239 1.43,1240 1.311,1241 0.718,1242 1.354,1243 0.995,1244 0.901,1245 1.325,1246 1.267,1247 0.531,1248 1.297,1249 0.868,1250 0.804,1251 1.162,1252 1.11,1253 0.329,1254 1.13,1255 3.892,1257 5.13,1259 6.572,1261 8.11,1263 9.699,1271 11.008,1272 6.971,1273 6.036,1275 0.311,1280 28.101,1281 66.925,1282 150.127,1283 215.611,1284 253.121,1285 255.121,1286 255.121,1287 29.684,1288 6.72,1289 45.65,1290 45.65,1291 18,1292 11.843,1293 3,1294 2.322,1295 35.009,1296 95,1297 78,1298 0.175,1299 173.922,1300 303.21,1301 416.13,1302 8086,1304 15.037,1305 0.684,1306 0.605,1307 15.037,1308 13.313,1309 10.916,1310 0.455,1311 0.36,1312 8.549,1313 10.579,1314 8.413,1315 6.947,1316 10.916,1317 8.641,1318 8.979,1319 0.299,1320 0.205,1321 8.979,1322 6.156,1323 7.348,1324 0.199,1325 0.118,1326 7.348,1327 4.358,1328 5.928,1329 0.132,1330 0.068,1331 5.928,1332 3.075,1333 4.838,1334 0.088,1335 0.04,1336 4.838,1337 2.226,1338 0.291,1339 67.72,1340 0.243,1341 22.756,1342 0.438,1343 108,1344 246.046,1345 117.092,1346 235.972,1347 329.33,1348 226,1349 121,1350 242.293,1351 130.204,1352 241.905,1353 352.3,1354 231,1355 8.4} {0 CHEMBL91154,1 1.447,2 11.238,3 1.301,4 1.693,5 83.908,6 6.41,7 0.261,8 3.892,9 4.039,10 3.334,11 3.354,12 4.805,13 3.319,14 4.48,15 4.69,16 3.627,17 3.745,18 5.348,19 3.667,20 4.747,21 5.023,22 3.533,23 3.804,24 5.501,25 3.671,26 4.644,27 4.936,28 3.303,29 3.663,30 5.357,31 3.508,32 4.506,33 4.796,34 3.128,35 3.556,36 5.159,37 3.378,38 4.48,39 4.788,40 3.075,41 3.49,42 5.132,43 3.304,44 4.375,45 4.678,46 2.996,47 3.403,48 5.021,49 3.219,50 4.279,51 4.584,52 2.919,53 3.301,54 4.949,55 3.133,56 0.055,57 0.674,58 11.188,59 3.888,60 6.219,61 5.977,62 0.244,63 1.045,64 20.65,65 6.652,66 18.58,67 10.164,68 0.361,69 1.151,70 27.088,71 7.766,72 26.74,73 12.606,74 0.325,75 1.02,76 24.418,77 6.765,78 24.056,79 11.192,80 0.21,81 0.884,82 20.877,83 6.541,84 16.981,85 10.426,86 0.254,87 0.841,88 20.404,89 6.37,90 18.753,91 10.089,92 0.229,93 0.758,94 18.304,95 5.713,96 15.438,97 9.154,98 0.179,99 0.699,100 16.666,101 4.808,102 14.695,103 7.997,105 29,106 0.255,107 0.568,108 0.764,109 0.866,110 0.898,111 0.905,112 3.101,113 1.029,114 -3.08,115 -3.08,116 -2.96,119 35.6,121 3,125 5,127 1,140 4,141 1,142 1,157 1,169 5,172 4,174 2,175 1,176 3,178 5,182 2,184 1,186 1,189 4,193 2,196 1,197 3,199 1,203 1,208 2,211 1,218 1,219 1,220 2,222 2,229 1,231 1,233 2,242 2,244 2,248 1,249 1,252 1,254 3,259 570,260 14.759,261 14.759,262 14.759,263 14.759,264 14.759,265 13.723,266 23.1,267 9.352,268 15.143,269 11.438,270 11.438,271 11.438,272 11.438,273 11.438,274 9.9,275 31.04,276 4.541,277 12.075,278 4.045,279 2.272,280 1.156,281 0.578,282 0.4,283 0.356,284 3.792,287 1,288 1,289 1,290 517,291 2.828,294 47.79,295 139.495,298 92.756,302 1.751,303 13.333,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 45,315 236,316 4.266,317 3.329,318 6.243,319 3.939,320 2.982,321 3.837,322 1.263,323 9.472,324 2.853,325 3.842,326 3.043,327 5.34,328 3.43,329 2.522,330 3.091,331 0.86,332 6.965,333 2.291,334 3.302,335 2.393,336 5.133,337 3.129,338 2.172,339 2.396,340 0.4,341 6.245,342 2.068,343 2.879,344 1.957,345 4.414,346 2.705,347 1.743,348 2.012,349 0.277,350 4.312,351 1.674,352 2.858,353 1.876,354 3.816,355 2.497,356 1.532,357 1.962,358 0.247,359 3.57,360 1.473,361 2.717,362 1.686,363 3.625,364 2.451,365 1.49,366 1.726,368 3.111,369 1.427,370 2.497,371 1.453,372 3.573,373 2.358,374 1.371,375 1.488,377 2.94,378 1.349,379 2.137,380 1.395,381 3.247,382 1.931,383 1,384 1.076,386 2.14,387 0.928,388 2.011,389 1.273,390 3.216,391 1.917,392 1,393 1.008,395 2.136,396 0.916,397 1.569,398 0.642,399 3,400 1.301,401 0.347,402 0.412,404 0.86,405 0.327,406 1.363,407 0.556,408 2.722,409 1.242,410 0.313,411 0.322,413 0.693,414 0.291,415 0.746,416 -0.076,417 2.197,418 0.609,419 -0.332,420 -0.339,422 -0.762,423 -0.311,424 0.571,425 -0.462,426 2,427 0.239,428 -0.719,429 -0.775,431 -1.643,432 -0.682,433 0.348,434 -0.597,435 1.682,436 0.053,437 -0.902,438 -1.06,440 -2.031,441 -0.856,442 0.296,443 -0.658,444 1.586,445 -0.034,446 -1,447 -1.142,449 -2.347,450 -0.946,451 9.933,452 0.473,453 0.256,454 0.012,455 22,456 1.048,457 8,458 0.381,459 14,460 0.667,461 17.425,462 0.83,463 24.267,464 0.539,465 12.602,466 0.6,467 4.287,468 0.204,469 6.129,470 0.292,473 0.201,479 1.033,480 1.524,481 0.955,482 1.255,483 0.947,484 1.112,485 1.169,486 1.136,487 1.107,488 1.177,489 1.088,490 1.137,491 1.317,492 1,493 1.048,494 0.949,495 1.228,496 0.966,497 1.304,498 0.891,499 1.127,500 0.923,501 1.261,502 0.984,503 1.014,504 1.034,505 1.045,506 1.044,507 0.978,508 1.051,509 0.833,510 0.856,511 0.953,512 0.938,513 0.824,514 0.959,515 0.799,516 0.946,517 0.933,518 0.951,519 0.832,520 0.96,521 0.993,522 0.937,523 0.984,524 0.909,525 1.053,526 0.93,527 2.5,528 0.064,529 1.111,530 0.854,531 0.453,532 0.195,533 0.131,534 0.063,535 0.095,536 0.035,537 5716,538 11758,539 2.161,540 53.3,542 15,545 3,547 2,548 4,550 1.618,551 2.136,552 3.469,553 1.062,554 1,555 1,557 1,559 65.094,560 1.447,561 3.22,562 4.336,563 4.914,564 5.092,565 5.136,566 2.892,567 3.63,568 4.369,569 3.639,570 764.289,571 7.411,572 8960.47,574 1,577 247.133,578 0.702,579 4.371,580 0.109,581 0.005,582 0.038,583 0.034,584 0.024,585 0.012,586 0.009,587 0.004,588 0.007,589 0.003,590 0.245,591 0.67,592 1,594 99.328,595 -0.047,596 -0.177,597 0.061,598 -0.055,599 0.006,600 0.01,601 0.02,602 0.045,603 -0.084,604 -0.115,605 0.031,606 -0.112,607 -0.076,608 -0.027,609 -0.04,611 -0.074,612 -0.014,613 -0.157,614 0.079,615 -0.126,616 -0.01,617 -0.177,618 -0.054,619 -0.094,620 -0.095,621 -0.082,622 -0.072,623 -0.08,624 -0.076,625 0.044,626 0.055,627 0.008,628 0.002,629 0.048,630 -0.002,631 0.069,632 -0.037,633 0.024,634 0.005,635 0.022,636 0.007,637 -0.09,639 -0.013,640 0.017,641 -0.127,642 0.016,643 1.056,644 2.401,645 0.714,646 18.449,647 0.99,648 1.141,649 1.85,650 3.423,651 0.624,652 3.178,653 3.401,654 3.611,655 3.829,656 3.951,657 3.829,658 3.85,659 3.871,660 3.664,661 3.664,662 6.823,663 0.579,664 288.44,665 3.178,666 4.654,667 5.46,668 6.286,669 7.109,670 7.945,671 8.777,672 9.618,673 10.456,674 11.301,675 8.9,677 3,684 1,688 4,693 2,695 6,712 1,714 45,716 7,717 1,718 23,720 47,721 16,722 6,723 2,724 4,730 3,731 4,734 1,740 3,743 4,745 7,746 9,750 1,758 1,759 1,760 1,761 1,764 24,765 5,766 3,767 5,773 4,777 0.667,778 1,792 1,793 2,796 1,814 3,819 2,827 21,833 8,834 3,835 1,837 1,847 2.2,852 1,854 9.833,855 7.533,856 4.778,857 2.893,858 1.348,859 1.204,860 0.976,861 5.353,862 7.962,863 3.332,864 3.75,865 4.155,866 4.573,867 4.944,868 4.823,869 4.973,870 5.153,871 4.773,872 4.782,873 1,874 25,875 7.795,877 3.197,878 7.421,879 15.559,881 12.75,883 1.921,884 40.333,885 0.002,888 247.193,889 66.365,890 70.818,892 11,895 66.365,896 258.193,897 70.818,899 18.132,900 91.937,902 36.214,903 1.899,904 247.193,906 247.193,907 137.183,908 11,911 176.567,912 81.626,915 88.95,916 48.233,919 247.193,920 81.818,921 66.365,924 247.193,925 28.46,926 37.905,927 54.032,928 27.785,929 247.193,930 81.818,931 66.365,933 0.551,934 0.309,935 0.172,936 0.091,937 13,938 4,939 0.149,940 7,941 1,942 1.133,943 3.696,944 144.399,945 0.133,946 15,947 92.239,951 14.668,952 7.664,953 4.351,955 81.818,956 8.308,961 2.375,963 54.032,964 395.376,965 27,973 4.387,974 0.954,975 44.571,976 51.355,977 0.263,978 0.586,979 0.79,980 0.895,981 0.927,982 0.935,983 4.527,984 1,985 5.361,986 2.94,987 4.078,988 4.431,989 1.778,990 6.043,991 3.971,992 5.621,993 1,994 6.821,995 2.14,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.043,1001 6.854,1002 0.347,1003 8.383,1004 2.136,1005 5.525,1006 6.363,1007 1.751,1008 9.748,1009 5.309,1010 8.122,1011 0.313,1012 10.012,1013 0.86,1014 5.602,1015 6.694,1016 1.178,1017 11.302,1018 5.308,1019 9.432,1020 -0.332,1021 11.688,1022 0.693,1023 7.259,1024 8.639,1025 1.914,1026 13.851,1027 6.939,1028 10.771,1029 -0.719,1030 13.398,1031 -0.762,1032 7.827,1033 9.427,1034 1.663,1035 15.807,1036 7.438,1037 12.132,1038 -0.902,1039 15.132,1040 -1.643,1041 9.172,1042 11.098,1043 2.184,1044 18.158,1045 8.757,1046 2.982,1047 -1,1048 16.885,1049 -2.031,1050 9.998,1051 12.126,1052 2.128,1053 20.283,1054 9.526,1055 2.522,1056 9.472,1057 18.652,1058 -2.347,1059 11.196,1060 13.656,1061 2.527,1062 22.565,1063 10.694,1064 2.172,1065 6.965,1066 20.43,1067 3.837,1068 12.153,1069 14.814,1070 2.589,1071 24.761,1072 11.602,1073 1.743,1074 6.245,1075 22.217,1076 3.091,1077 13.285,1078 16.267,1079 2.917,1080 27.02,1081 12.701,1082 1.532,1083 4.312,1084 24.011,1085 2.396,1086 14.308,1087 17.5,1088 3.051,1089 29.245,1090 13.679,1091 1.49,1092 3.57,1093 25.811,1094 2.012,1095 15.411,1096 18.908,1097 3.338,1098 31.496,1099 14.748,1100 1.371,1101 3.111,1102 27.616,1103 1.962,1104 16.466,1105 20.185,1106 3.513,1107 33.735,1108 15.76,1109 5378,1110 7795,1111 16.178,1112 28.091,1113 33.053,1114 33.369,1115 33.179,1116 32.946,1117 32.947,1118 38.658,1119 6.093,1120 84.889,1121 31.194,1122 5.244,1123 5.329,1124 6.068,1125 5.007,1126 4.982,1127 6.837,1128 2.232,1129 15.659,1130 4.853,1132 1.437,1133 1.451,1134 1.443,1135 1.432,1136 1.432,1137 1.681,1138 0.265,1139 3.691,1140 1.356,1141 3.993,1142 4.018,1143 3.929,1144 3.904,1145 4.884,1146 3.906,1147 3.826,1148 3.903,1149 3.724,1150 3.618,1151 4.751,1152 3.631,1153 3.66,1154 3.737,1155 3.513,1156 3.485,1157 4.365,1158 3.481,1159 3.469,1160 3.536,1161 3.318,1162 3.321,1163 4.191,1164 3.311,1165 3.195,1166 3.286,1167 3.035,1168 2.958,1169 3.949,1170 2.966,1171 2.96,1172 3.052,1173 2.786,1174 2.779,1175 3.741,1176 2.772,1177 2.924,1178 3.043,1179 2.743,1180 2.714,1181 3.712,1182 2.712,1183 2.875,1184 2.93,1185 2.699,1186 2.644,1187 3.522,1188 2.638,1189 0.185,1190 0.145,1191 0.271,1192 0.171,1193 0.13,1194 4.266,1195 0.167,1196 3.329,1197 0.055,1198 6.243,1199 0.412,1200 3.939,1201 0.124,1202 2.982,1203 3.837,1204 1.263,1205 9.472,1206 2.853,1207 1.878,1208 1.853,1209 2,1210 1.996,1211 1.262,1212 1.992,1213 1.758,1214 1.685,1215 1.967,1216 1.955,1217 1.22,1218 1.969,1219 1.666,1220 1.598,1221 1.907,1222 1.889,1223 1.174,1224 1.898,1225 1.505,1226 1.445,1227 1.753,1228 1.712,1229 0.998,1230 1.73,1231 1.149,1232 1.057,1233 1.442,1234 1.432,1235 0.626,1236 1.443,1237 0.965,1238 0.894,1239 1.285,1240 1.224,1241 0.492,1242 1.252,1243 0.903,1244 0.803,1245 1.266,1246 1.203,1247 0.462,1248 1.232,1249 0.852,1250 0.787,1251 1.11,1252 1.073,1253 0.17,1254 1.077,1255 3.85,1257 5.094,1258 2.398,1259 6.526,1260 4.727,1261 8.047,1262 6.823,1263 9.613,1271 8.06,1272 10.07,1273 5.901,1275 0.278,1280 26.068,1281 65.094,1282 144.892,1283 195.133,1284 221.133,1285 229.133,1286 231.133,1287 26.004,1288 6.615,1289 57.68,1290 57.68,1291 17,1292 11.865,1293 3,1294 2.322,1295 32.719,1296 88,1297 70,1298 0.177,1299 161.532,1300 279.61,1301 385.897,1302 6998,1304 14.33,1305 0.682,1306 0.59,1307 14.33,1308 12.399,1309 10.416,1310 0.453,1311 0.343,1312 7.779,1313 10.012,1314 7.671,1315 6.331,1316 10.416,1317 7.891,1318 8.638,1319 0.298,1320 0.191,1321 8.638,1322 5.547,1323 7.038,1324 0.196,1325 0.106,1326 7.038,1327 3.806,1328 5.789,1329 0.129,1330 0.06,1331 5.789,1332 2.702,1333 4.483,1334 0.088,1335 0.036,1336 4.483,1337 1.818,1338 0.294,1339 65.174,1340 0.249,1341 21.861,1342 0.442,1343 104,1344 256.379,1345 114.924,1346 244.706,1347 341.09,1348 234,1349 117,1350 251.983,1351 127.869,1352 250.897,1353 366.45,1354 239,1355 6.9} {0 CHEMBL91190,1 1.324,2 11.87,3 1.936,4 3.747,5 96.474,6 6.068,7 0.24,8 4.017,9 4.179,10 3.412,11 3.481,12 4.889,13 3.427,14 4.615,15 4.849,16 3.703,17 3.889,18 5.407,19 3.79,20 4.905,21 5.188,22 3.732,23 4.044,24 5.597,25 3.9,26 4.924,27 5.216,28 3.559,29 4.009,30 5.607,31 3.83,32 4.905,33 5.222,34 3.363,35 3.926,36 5.507,37 3.708,38 4.793,39 5.123,40 3.212,41 3.777,42 5.364,43 3.544,44 4.633,45 4.962,46 3.127,47 3.624,48 5.202,49 3.409,50 4.506,51 4.828,52 3.058,53 3.507,54 5.122,55 3.314,56 0.077,57 0.788,58 13.279,59 4.427,60 8.074,61 7.143,62 0.279,63 1.234,64 23.931,65 7.443,66 18.98,67 12.056,68 0.3,69 1.457,70 31.069,71 9.52,72 21.879,73 15.695,74 0.325,75 1.413,76 31.522,77 9.603,78 25.582,79 15.823,80 0.261,81 1.282,82 30.14,83 9.764,84 22.638,85 15.75,86 0.263,87 1.102,88 26.668,89 8.99,90 20.909,91 14.145,92 0.211,93 0.952,94 22.792,95 7.399,96 15.493,97 11.886,98 0.191,99 0.858,100 20.288,101 6.027,102 15.48,103 10.102,104 2,105 32,106 0.226,107 0.534,108 0.762,109 0.866,110 0.892,111 0.898,112 3.186,113 1.066,114 -3.56,115 -3.53,116 -3.37,119 34.6,121 4,124 1,125 5,127 1,140 4,141 1,142 1,157 1,169 6,172 4,174 2,175 1,176 3,178 6,182 3,184 1,186 1,189 5,193 2,196 1,197 3,199 3,203 1,208 2,211 2,218 1,219 1,220 2,222 2,229 1,231 2,233 2,242 2,244 2,248 1,249 1,252 1,254 3,256 1,259 742,260 16.018,261 16.018,262 16.018,263 16.018,264 16.018,265 15.007,266 27.172,267 9.999,268 16.388,269 12.372,270 12.372,271 12.372,272 12.372,273 12.372,274 10.839,275 39.795,276 4.785,277 12.963,278 4.376,279 2.57,280 1.236,281 0.63,282 0.476,283 0.438,284 3.877,287 1,288 1,289 1,290 592,291 2.915,295 212.114,299 109.58,302 1.724,303 11.239,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 48.5,315 273,316 4.339,317 3.342,318 6.625,319 4.067,320 3.107,321 3.88,322 1.263,323 10.496,324 2.985,325 3.842,326 3.043,327 5.667,328 3.431,329 2.522,330 3.091,331 0.8,332 7.444,333 2.314,334 3.54,335 2.566,336 5.34,337 3.353,338 2.378,339 2.648,340 0.4,341 6.965,342 2.29,343 2.982,344 2.074,345 4.726,346 2.78,347 1.82,348 2.109,349 0.277,350 4.91,351 1.745,352 2.891,353 1.887,354 3.844,355 2.695,356 1.72,357 2.013,358 0.247,359 3.595,360 1.673,361 2.744,362 1.691,363 3.689,364 2.474,365 1.505,366 1.753,368 3.157,369 1.458,370 2.509,371 1.483,372 3.594,373 2.399,374 1.414,375 1.502,377 3.014,378 1.388,379 2.196,380 1.398,381 3.484,382 2.002,383 1.06,384 1.142,386 2.287,387 0.996,388 2.129,389 1.285,390 3.266,391 1.917,392 1,393 1.068,395 2.136,396 0.916,397 2.037,398 0.949,399 3.247,400 1.862,401 0.878,402 1.025,404 2.058,405 0.862,406 1.535,407 0.676,408 2.895,409 1.425,410 0.473,411 0.492,413 1.059,414 0.449,415 1.093,416 0.247,417 2.5,418 0.97,419 0.019,420 0.02,422 0.044,423 0.018,424 0.818,425 -0.14,426 2.341,427 0.581,428 -0.386,429 -0.414,431 -0.895,432 -0.37,433 0.603,434 -0.358,435 2.055,436 0.394,437 -0.561,438 -0.619,440 -1.282,441 -0.536,442 0.477,443 -0.582,444 2,445 0.125,446 -0.851,447 -0.932,449 -1.929,450 -0.819,451 11,452 0.478,453 0.329,454 0.014,455 23.25,456 1.011,457 8,458 0.348,459 15.25,460 0.663,461 21.479,462 0.934,463 26.8,464 0.515,465 13.924,466 0.605,467 4.427,468 0.192,469 6.916,470 0.301,471 0.045,473 0.218,479 1.147,480 1.635,481 1.031,482 1.297,483 1.02,484 1.174,485 1.255,486 1.137,487 1.127,488 1.09,489 1.055,490 1.094,491 1.182,492 1.052,493 1.032,494 0.992,495 1.073,496 0.995,497 1.294,498 1.029,499 1.19,500 1.074,501 1.25,502 1.114,503 0.979,504 0.962,505 1.036,506 1.018,507 1.014,508 1.031,509 0.671,510 0.864,511 0.907,512 0.963,513 0.73,514 0.96,515 0.756,516 0.911,517 0.875,518 0.932,519 0.759,520 0.918,521 1.116,522 0.941,523 0.96,524 0.899,525 1.101,526 0.911,527 2.5,528 0.07,529 2,530 1.063,531 0.898,532 0.326,533 0.181,534 0.099,535 0.098,536 0.097,537 6929,538 12961,539 2.119,540 55.8,541 2,542 18,545 3,547 2,548 4,550 1.646,551 2.06,552 3.514,553 0.989,554 1,555 1,559 68.873,560 1.324,561 3.131,562 4.465,563 5.071,564 5.224,565 5.263,566 2.926,567 4.263,568 4.498,569 3.687,570 932.75,571 7.685,572 11512.5,574 1,576 1,577 296.423,578 0.998,579 4.488,580 0.1,581 0.004,582 0.063,583 0.033,584 0.036,585 0.016,586 0.011,587 0.006,588 0.007,589 0.006,590 0.282,591 0.5,592 1,593 0.393,594 111.592,595 -0.013,596 -0.247,597 0.063,598 -0.068,599 0.037,600 -0.005,601 0.039,602 0.072,603 -0.061,604 -0.027,605 0.048,606 -0.05,607 -0.063,608 -0.003,609 -0.02,610 0.003,611 -0.062,612 -0.003,613 -0.163,614 -0.005,615 -0.186,616 -0.102,617 -0.192,618 -0.14,619 -0.092,620 -0.038,621 -0.08,622 -0.055,623 -0.111,624 -0.064,625 0.121,626 0.011,627 0.029,628 -0.011,629 0.096,630 -0.002,631 0.089,632 -0.029,633 0.069,634 0.013,635 0.062,636 0.035,637 -0.076,638 -0.023,639 0.013,640 0.024,641 -0.092,642 0.027,643 0.734,644 1.419,645 0.696,646 21.078,647 0.983,648 1.144,649 2.331,650 5.434,651 0.619,652 3.258,653 3.497,654 3.738,655 3.932,656 4.111,657 4.007,658 4.025,659 4.025,660 4.043,661 3.871,662 7.005,663 0.566,664 315.52,665 3.258,666 4.745,667 5.565,668 6.399,669 7.235,670 8.079,671 8.923,672 9.773,673 10.623,674 11.478,675 9.6,677 3,681 1,684 1,688 4,693 2,695 6,709 1,714 52,716 7,717 1,718 25,720 54,721 18,722 6,723 2,724 4,730 3,731 4,734 1,740 4,743 5,745 7,746 11,750 1,758 1,759 1,760 1,761 1,764 29,765 5,766 3,767 5,773 5,777 0.667,793 3,797 1,814 3,819 2,823 1,827 23,833 9,834 3,837 1,838 1,854 11.167,855 9.067,856 5.25,857 3.362,858 1.355,859 1.199,860 0.966,861 6.17,862 8.172,863 3.401,864 3.818,865 4.245,866 4.643,867 5.037,868 4.949,869 5.111,870 5.224,871 5.356,872 5.054,873 0.875,874 32,875 8.544,877 3.47,878 7.341,879 17.256,881 14.2,883 1.841,884 42.333,885 0.001,888 306.049,889 74.809,890 73.942,895 74.809,896 306.049,897 73.942,898 8.396,899 20.667,900 91.937,902 25.852,903 1.899,904 306.049,906 306.049,907 148.752,911 235.422,912 70.627,915 91.484,916 57.267,919 306.049,920 73.942,921 74.809,924 306.049,925 28.508,926 49.426,927 54.032,928 16.786,929 306.049,930 73.942,931 74.809,933 0.557,934 0.324,935 0.176,936 0.093,937 14,938 5,939 0.13,940 7,941 1,942 1.125,943 3.786,944 167.112,945 0.125,946 16,947 104.042,951 16.593,952 8.553,953 4.612,955 73.942,956 8.773,961 2.879,963 54.032,964 454.8,965 29,973 4.419,974 0.972,975 51.112,976 59.474,977 0.232,978 0.549,979 0.783,980 0.889,981 0.916,982 0.923,983 4.61,984 1.06,985 5.485,986 3.014,987 4.174,988 4.5,989 1.686,990 6.213,991 4.084,992 5.711,993 1,994 6.984,995 2.287,996 3.434,997 3.951,998 0.81,999 6.98,1000 3.279,1001 6.954,1002 0.878,1003 8.595,1004 2.136,1005 5.666,1006 6.433,1007 1.634,1008 10.11,1009 5.483,1010 8.233,1011 0.473,1012 10.28,1013 2.058,1014 5.861,1015 6.808,1016 1.268,1017 11.815,1018 5.61,1019 9.556,1020 0.019,1021 12.015,1022 1.059,1023 7.465,1024 8.714,1025 1.831,1026 14.436,1027 7.191,1028 10.906,1029 -0.386,1030 13.786,1031 0.044,1032 8.132,1033 9.538,1034 1.701,1035 16.509,1036 7.801,1037 12.279,1038 -0.561,1039 15.582,1040 -0.895,1041 9.456,1042 11.185,1043 2.135,1044 18.963,1045 9.099,1046 3.107,1047 -0.851,1048 17.397,1049 -1.282,1050 10.363,1051 12.242,1052 2.144,1053 21.19,1054 9.958,1055 2.522,1056 10.496,1057 19.226,1058 -1.929,1059 11.565,1060 13.759,1061 2.5,1062 23.583,1063 11.131,1064 2.378,1065 7.444,1066 21.065,1067 3.88,1068 12.588,1069 14.942,1070 2.596,1071 25.878,1072 12.111,1073 1.82,1074 6.965,1075 22.914,1076 3.091,1077 13.741,1078 16.39,1079 2.903,1080 28.247,1081 13.233,1082 1.72,1083 4.91,1084 24.769,1085 2.648,1086 14.82,1087 17.645,1088 3.053,1089 30.572,1090 14.272,1091 1.505,1092 3.595,1093 26.631,1094 2.109,1095 15.956,1096 19.054,1097 3.331,1098 32.931,1099 15.373,1100 1.414,1101 3.157,1102 28.497,1103 2.013,1104 17.061,1105 20.35,1106 3.514,1107 35.27,1108 16.44,1109 6577,1110 9064,1111 17.277,1112 32.165,1113 35.972,1114 35.931,1115 36.435,1116 35.803,1117 35.794,1118 41.486,1119 5.973,1120 94.327,1121 34.191,1122 5.312,1123 5.342,1124 6.45,1125 5.135,1126 5.107,1127 6.88,1128 2.232,1129 17.688,1130 4.985,1131 5.869,1132 1.439,1133 1.437,1134 1.457,1135 1.432,1136 1.432,1137 1.659,1138 0.239,1139 3.773,1140 1.368,1141 4.01,1142 4.054,1143 3.939,1144 3.923,1145 4.771,1146 3.922,1147 3.826,1148 3.904,1149 3.725,1150 3.62,1151 4.74,1152 3.632,1153 3.678,1154 3.751,1155 3.543,1156 3.516,1157 4.33,1158 3.513,1159 3.537,1160 3.606,1161 3.382,1162 3.395,1163 4.125,1164 3.382,1165 3.26,1166 3.354,1167 3.085,1168 3.066,1169 3.944,1170 3.057,1171 3.233,1172 3.336,1173 3.039,1174 2.983,1175 3.833,1176 2.986,1177 3.019,1178 3.113,1179 2.832,1180 2.816,1181 3.739,1182 2.812,1183 2.924,1184 3.043,1185 2.701,1186 2.654,1187 3.562,1188 2.641,1189 0.174,1190 0.134,1191 0.265,1192 0.163,1193 0.124,1194 4.339,1195 0.155,1196 3.342,1197 0.051,1198 6.625,1199 0.42,1200 4.067,1201 0.119,1202 3.107,1203 3.88,1204 1.263,1205 10.496,1206 2.985,1207 1.978,1208 1.944,1209 2.107,1210 2.094,1211 1.403,1212 2.101,1213 1.757,1214 1.684,1215 1.966,1216 1.993,1217 1.233,1218 1.988,1219 1.666,1220 1.598,1221 1.902,1222 1.865,1223 1.194,1224 1.882,1225 1.548,1226 1.483,1227 1.788,1228 1.72,1229 0.997,1230 1.747,1231 1.258,1232 1.171,1233 1.595,1234 1.502,1235 0.78,1236 1.537,1237 1.206,1238 1.104,1239 1.526,1240 1.497,1241 0.649,1242 1.516,1243 1.011,1244 0.921,1245 1.326,1246 1.268,1247 0.523,1248 1.297,1249 0.903,1250 0.788,1251 1.285,1252 1.222,1253 0.492,1254 1.25,1255 3.932,1257 5.187,1259 6.655,1261 8.227,1263 9.854,1265 2.221,1271 9.763,1272 10.271,1275 0.599,1276 2.435,1280 29.429,1281 68.873,1282 162.806,1283 232.158,1284 263.668,1285 271.668,1286 273.668,1287 29.603,1288 6.817,1289 51.69,1290 51.69,1291 18,1292 12.034,1293 3,1294 2.322,1295 37.35,1296 98,1297 87,1298 0.182,1299 183.514,1300 316.42,1301 439.535,1302 8965,1304 15.908,1305 0.692,1306 0.615,1307 15.908,1308 14.145,1309 11.343,1310 0.454,1311 0.355,1312 8.767,1313 10.958,1314 8.575,1315 7.123,1316 11.343,1317 8.88,1318 9.401,1319 0.294,1320 0.201,1321 9.401,1322 6.427,1323 7.957,1324 0.194,1325 0.116,1326 7.957,1327 4.766,1328 6.404,1329 0.128,1330 0.067,1331 6.404,1332 3.358,1333 5.065,1334 0.084,1335 0.04,1336 5.065,1337 2.375,1338 0.299,1339 70.544,1340 0.241,1341 23.475,1342 0.46,1343 114,1344 242.289,1345 123.131,1346 238.576,1347 335.97,1348 228,1349 130,1350 250.437,1351 139.52,1352 254.312,1353 369.45,1354 241,1355 6} {0 CHEMBL91534,1 1.448,2 14.848,3 4.182,4 17.49,5 132.357,6 6.979,7 0.568,8 4.252,9 4.392,10 3.778,11 3.773,12 5.26,13 3.742,14 4.828,15 5.031,16 4.12,17 4.198,18 5.753,19 4.141,20 5.101,21 5.335,22 4.138,23 4.364,24 5.983,25 4.251,26 5.236,27 5.506,28 4.087,29 4.391,30 6.053,31 4.248,32 5.254,33 5.542,34 3.987,35 4.332,36 6.086,37 4.176,38 5.147,39 5.442,40 3.973,41 4.246,42 5.944,43 4.108,44 5.028,45 5.285,46 3.934,47 4.186,48 5.935,49 4.057,50 5.036,51 5.333,52 3.756,53 4.092,54 5.844,55 3.935,56 0.063,57 1.065,58 14.348,59 5.724,60 12.307,61 8.121,62 0.287,63 1.75,64 27.545,65 9.473,66 24.468,67 13.743,68 0.441,69 2.156,70 37.349,71 13.501,72 41.19,73 19.447,74 0.372,75 2.281,76 43.725,77 15.726,78 44.805,79 22.757,80 0.51,81 2.278,82 46.081,83 15.975,84 67.963,85 22.708,86 0.416,87 2.005,88 40.955,89 13.639,90 47.443,91 20.291,92 0.346,93 1.925,94 35.497,95 12.562,96 49.139,97 17.888,98 0.401,99 1.778,100 36.856,101 11.964,102 47.2,103 17.829,104 5,105 51,106 0.23,107 0.562,108 0.777,109 0.855,110 0.872,111 0.872,112 3.531,113 0.951,114 -5.45,115 -5.33,116 -4.97,119 40.6,121 3,124 1,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 3,178 11,182 5,186 3,189 8,192 1,193 8,197 1,199 5,203 7,206 1,211 5,215 6,218 1,222 4,226 6,229 2,233 2,236 1,237 6,242 1,244 2,249 2,256 4,259 1942,260 22.792,261 22.792,262 22.792,263 22.792,264 22.792,265 20.353,266 26.572,267 13.6,268 23.275,269 18.297,270 18.297,271 18.297,272 18.297,273 18.297,274 14.725,275 32.92,276 6.484,277 19.112,278 4.552,279 2.461,280 1.11,281 0.617,282 0.512,283 0.512,284 4.241,289 1,290 1092,291 3.391,294 178.505,295 340.439,298 152.368,302 2.296,303 21.969,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 70.5,315 490,316 4.568,317 3.347,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.196,327 6.411,328 3.943,329 3.003,330 3.731,331 0.8,332 9.751,333 2.818,334 4.041,335 2.889,336 6.095,337 3.689,338 2.752,339 3.46,340 0.172,341 8.884,342 2.577,343 3.846,344 2.865,345 5.463,346 3.526,347 2.553,348 2.969,350 7.294,351 2.493,352 3.447,353 2.608,354 5.285,355 3.262,356 2.323,357 2.812,359 6.744,360 2.17,361 3.361,362 2.276,363 5.127,364 3.011,365 2.033,366 2.593,368 6.002,369 1.981,370 3.246,371 2.178,372 4.679,373 2.735,374 1.788,375 2.393,377 4.715,378 1.693,379 2.952,380 1.795,381 4.514,382 2.697,383 1.764,384 2.086,386 4.654,387 1.634,388 2.747,389 1.575,390 4.133,391 2.412,392 1.432,393 1.85,395 3.478,396 1.393,397 2.691,398 1.382,399 3.878,400 2.314,401 1.331,402 1.711,404 3.227,405 1.305,406 2.5,407 1.28,408 3.54,409 2.149,410 1.18,411 1.5,413 2.766,414 1.14,415 2.426,416 1.125,417 3.464,418 2.021,419 1.059,420 1.4,422 2.462,423 1.016,424 2.276,425 1,426 3.316,427 2,428 1,429 1.239,431 2.136,432 1,433 2.159,434 0.922,435 3.247,436 1.851,437 0.885,438 1.116,440 2.086,441 0.853,442 2.118,443 0.656,444 3.177,445 1.55,446 0.618,447 0.927,449 1.443,450 0.565,451 15.686,452 0.475,453 0.674,454 0.02,455 40,456 1.212,457 18,458 0.545,459 22,460 0.667,461 30.937,462 0.937,463 35.914,464 0.561,465 28.943,466 0.877,467 7.876,468 0.239,469 8.293,470 0.251,471 0.05,473 0.3,474 1,479 0.689,480 1.312,481 0.82,482 1.158,483 0.545,484 1.033,485 1.096,486 1.026,487 1.002,488 0.944,489 0.83,490 0.947,491 0.987,492 1.057,493 1.091,494 1.123,495 1.061,496 1.126,497 0.921,498 1.052,499 1.004,500 1.084,501 0.93,502 1.065,503 1.322,504 1.071,505 1.047,506 1.005,507 1.644,508 1.003,509 0.946,510 0.884,511 0.876,512 0.851,513 0.863,514 0.851,515 1.16,516 1.205,517 1.091,518 1.172,519 1.323,520 1.14,521 1.07,522 0.94,523 1.013,524 0.943,525 1.037,526 0.963,527 5.5,528 0.124,529 3.556,530 1.882,531 1.388,532 1.076,533 0.527,534 0.327,535 0.247,536 0.213,537 18953,538 43835,539 2.168,540 48.4,541 2,542 21,543 1,544 2,545 1,547 2,548 2,550 1.746,551 2.084,552 3.837,553 -0.382,559 92.699,560 1.448,561 3.539,562 4.89,563 5.383,564 5.488,565 5.488,566 3.283,567 4.741,568 5.017,569 4.035,570 2130.48,571 8.75,572 33904.8,574 1,577 384,578 1.182,579 4.999,580 0.149,581 0.005,582 0.07,583 0.038,584 0.031,585 0.027,586 0.013,587 0.009,588 0.008,589 0.008,590 0.356,591 0.33,592 0.75,593 0.398,594 179.523,595 0.053,596 -0.175,597 0.079,598 -0.076,599 0.019,600 -0.012,601 -0.093,602 0.079,603 -0.043,604 0.058,605 -0.045,606 0.025,607 0.02,608 0.008,609 -0.124,610 -0.096,611 -0.025,612 -0.125,613 -0.014,614 -0.092,615 -0.03,616 -0.079,617 0.01,618 -0.062,619 -0.08,620 -0.023,621 -0.027,622 -0.004,623 -0.126,624 -0.01,625 -0.008,626 0.03,627 0.118,628 0.115,629 0.041,630 0.133,631 -0.028,632 -0.147,633 -0.097,634 -0.165,635 -0.044,636 -0.148,637 -0.054,638 -0.009,639 -0.009,640 0.01,641 -0.022,642 0.009,643 2.146,644 7.038,645 0.788,646 39.28,647 0.994,648 1.136,649 4.216,650 17.777,651 0.654,652 3.638,653 3.951,654 4.234,655 4.489,656 4.635,657 4.727,658 4.836,659 4.956,660 5.004,661 5.075,662 8.668,663 0.615,664 446.63,665 3.638,666 5.176,667 6.028,668 6.899,669 7.763,670 8.638,671 9.507,672 10.386,673 11.258,674 12.139,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 37,720 68,721 26,722 16,723 4,724 8,730 5,731 6,740 3,743 5,745 16,746 10,748 1,762 1,764 31,765 5,766 1,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 1,827 33,833 7,837 2,838 2,844 1,846 1,854 15.833,855 11.476,856 7.222,857 3.925,858 3.502,859 1.426,860 1.01,861 6.748,862 11.718,863 3.882,864 4.454,865 5.035,866 5.611,867 6.032,868 6.359,869 6.797,870 7.219,871 7.407,872 7.63,873 0.9,874 49,875 12.269,877 5.242,878 7.561,879 24.068,881 20.326,883 2.061,884 68,888 353.133,889 142.542,890 58.259,893 14.96,895 142.542,896 353.133,897 73.219,898 8.396,899 18.206,900 84.857,901 74.105,902 36.634,903 28.875,904 317.82,906 353.133,907 200.801,908 14.96,911 321.009,912 47.084,915 60.376,916 107.099,917 33.326,919 368.093,920 58.259,921 142.542,924 355.312,925 29.871,926 118.639,927 16.786,928 48.286,929 353.133,930 73.219,931 142.542,933 0.578,934 0.34,935 0.186,936 0.091,937 25,938 10,939 0.118,940 8,941 1,942 1.077,943 4.643,944 298.785,945 0.077,946 26,947 156.465,951 22.121,952 10.066,953 5.126,954 2.36,955 54.535,956 22.183,957 7.798,958 3.375,961 3.588,962 1.913,963 16.786,964 568.894,965 47.5,975 63.61,976 72.727,977 0.241,978 0.59,979 0.815,980 0.897,981 0.915,982 0.915,983 5.113,984 1.764,985 5.994,986 4.715,987 4.635,988 5.142,989 1.242,990 6.783,991 4.55,992 6.288,993 1.432,994 7.535,995 4.654,996 4.111,997 4.783,998 0.57,999 7.627,1000 3.961,1001 7.571,1002 1.331,1003 9.178,1004 3.478,1005 6.205,1006 7.294,1007 0.883,1008 10.729,1009 6.039,1010 8.891,1011 1.18,1012 10.881,1013 3.227,1014 6.553,1015 7.877,1016 0.581,1017 12.433,1018 6.324,1019 10.248,1020 1.059,1021 12.625,1022 2.766,1023 8.059,1024 9.792,1025 0.68,1026 15.022,1027 7.817,1028 11.631,1029 1,1030 14.397,1031 2.462,1032 8.809,1033 10.836,1034 0.515,1035 17.072,1036 8.514,1037 13.035,1038 0.885,1039 16.189,1040 2.136,1041 10.078,1042 12.504,1043 0.541,1044 19.485,1045 9.765,1046 3.118,1047 0.618,1048 17.995,1049 2.086,1050 11.018,1051 13.781,1052 0.441,1053 21.683,1054 10.662,1055 3.003,1056 10.431,1057 19.812,1058 1.443,1059 12.188,1060 15.344,1061 0.438,1062 24.032,1063 11.812,1064 2.752,1065 9.751,1066 21.638,1067 4.518,1068 13.218,1069 16.736,1070 0.373,1071 26.296,1072 12.807,1073 2.553,1074 8.884,1075 23.471,1076 3.731,1077 14.35,1078 18.258,1079 0.358,1080 28.624,1081 13.918,1082 2.323,1083 7.294,1084 25.31,1085 3.46,1086 15.423,1087 19.707,1088 0.314,1089 30.917,1090 14.962,1091 2.033,1092 6.744,1093 27.153,1094 2.969,1095 16.541,1096 21.214,1097 0.296,1098 33.239,1099 16.059,1100 1.788,1101 6.002,1102 29.001,1103 2.812,1104 17.635,1105 22.69,1106 0.264,1107 35.548,1108 17.129,1109 17357,1110 26571,1111 25.542,1112 41.87,1113 55.839,1114 55.12,1115 55.69,1116 55.053,1117 54.976,1118 70.334,1119 3.778,1120 155.183,1121 52.621,1122 5.568,1123 5.347,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.147,1130 5.062,1131 10.762,1132 1.509,1133 1.49,1134 1.505,1135 1.488,1136 1.486,1137 1.901,1138 0.102,1139 4.194,1140 1.422,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 8.19,1146 4.07,1147 3.956,1148 4.007,1149 3.873,1150 3.864,1151 5.135,1152 3.859,1153 3.851,1154 3.911,1155 3.79,1156 3.707,1157 4.927,1158 3.711,1159 3.822,1160 3.887,1161 3.749,1162 3.586,1163 4.755,1164 3.624,1165 3.563,1166 3.636,1167 3.425,1168 3.398,1169 4.333,1170 3.398,1171 3.387,1172 3.467,1173 3.256,1174 3.195,1175 4.256,1176 3.2,1177 3.258,1178 3.331,1179 3.127,1180 3.084,1181 4.116,1182 3.082,1183 3.139,1184 3.225,1185 2.962,1186 2.939,1187 3.876,1188 2.925,1189 0.123,1190 0.09,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.347,1197 0.025,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.074,1210 2.072,1211 1.419,1212 2.076,1213 1.924,1214 1.89,1215 2.043,1216 2.048,1217 1.278,1218 2.046,1219 1.829,1220 1.772,1221 2,1222 1.974,1223 1.156,1224 1.988,1225 1.665,1226 1.609,1227 1.871,1228 1.834,1229 1.108,1230 1.85,1231 1.43,1232 1.353,1233 1.674,1234 1.686,1235 0.826,1236 1.679,1237 1.383,1238 1.311,1239 1.571,1240 1.626,1241 0.776,1242 1.619,1243 1.269,1244 1.194,1245 1.484,1246 1.481,1247 0.705,1248 1.496,1249 1.135,1250 1.052,1251 1.459,1252 1.442,1253 0.58,1254 1.41,1255 4.317,1257 5.631,1258 3.045,1259 7.132,1260 5.283,1261 8.718,1262 7.286,1263 10.35,1265 2.047,1267 15.038,1271 6.055,1275 -0.821,1276 4.464,1280 39.36,1281 92.699,1282 226.481,1283 312.98,1284 344.49,1285 351.245,1286 351.245,1287 52.555,1288 8.216,1289 52.98,1290 52.98,1291 28,1292 12.676,1293 4.459,1294 3.524,1295 48.235,1296 176,1297 160,1298 0.132,1299 238.822,1300 401.27,1301 574.485,1302 51877,1303 1.6,1304 22.623,1305 0.686,1306 0.578,1307 21.753,1308 19.069,1309 16.17,1310 0.437,1311 0.317,1312 11.56,1313 15.547,1314 11.304,1315 9.339,1316 15.759,1317 11.728,1318 14.347,1319 0.281,1320 0.178,1321 13.808,1322 9.09,1323 12.361,1324 0.182,1325 0.1,1326 11.982,1327 6.821,1328 10.526,1329 0.12,1330 0.057,1331 9.951,1332 5.005,1333 7.678,1334 0.075,1335 0.032,1336 7.517,1337 3.313,1338 0.215,1339 101.186,1340 0.198,1341 31.499,1342 0.338,1343 176,1344 474.67,1345 191.016,1346 440.659,1347 606.47,1348 416,1349 207,1350 446.476,1351 224.147,1352 451.959,1353 656.67,1354 424,1355 7.921} {0 CHEMBL91596,1 1.476,2 12.583,3 1.741,4 3.03,5 94.972,6 6.394,7 0.231,8 4.033,9 4.175,10 3.468,11 3.467,12 4.962,13 3.437,14 4.625,15 4.836,16 3.756,17 3.851,18 5.499,19 3.782,20 4.884,21 5.144,22 3.758,23 3.966,24 5.67,25 3.856,26 4.842,27 5.112,28 3.573,29 3.894,30 5.613,31 3.749,32 4.778,33 5.068,34 3.432,35 3.812,36 5.445,37 3.644,38 4.713,39 4.998,40 3.353,41 3.717,42 5.399,43 3.554,44 4.625,45 4.908,46 3.265,47 3.654,48 5.317,49 3.479,50 4.595,51 4.907,52 3.146,53 3.571,54 5.238,55 3.385,56 0.052,57 0.752,58 13.022,59 4.598,60 7.749,61 6.891,62 0.303,63 1.151,64 24.16,65 7.64,66 23.324,67 11.501,68 0.413,69 1.318,70 31.243,71 9.131,72 30.723,73 14.436,74 0.487,75 1.241,76 29.935,77 8.707,78 33.612,79 13.876,80 0.271,81 1.127,82 27.516,83 8.624,84 22.987,85 13.605,86 0.372,87 1.022,88 26.136,89 8.028,90 24.959,91 12.342,92 0.36,93 0.961,94 23.805,95 7.382,96 22.864,97 11.599,98 0.249,99 0.912,100 22.902,101 6.679,102 19.834,103 10.992,104 3,105 33,106 0.252,107 0.543,108 0.779,109 0.872,110 0.892,111 0.898,112 3.226,113 1.029,114 -3.06,115 -3.06,116 -2.94,119 34.6,121 4,124 1,125 5,127 1,140 3,141 1,142 2,157 1,169 4,172 6,174 2,175 1,176 3,178 5,182 3,184 1,186 1,189 4,192 1,193 3,196 1,197 3,199 2,203 2,208 2,211 1,215 1,218 1,219 1,220 1,222 2,229 2,231 2,233 2,242 2,244 1,248 1,249 2,252 1,254 3,256 1,259 864,260 16.784,261 16.784,262 16.784,263 16.784,264 16.784,265 15.775,266 28.899,267 10.436,268 17.347,269 12.831,270 12.831,271 12.831,272 12.831,273 12.831,274 11.207,275 38.698,276 4.966,277 13.657,278 4.224,279 2.522,280 1.135,281 0.591,282 0.476,283 0.438,284 3.918,287 1,288 1,289 1,290 650,291 3.082,295 225.806,299 115.8,302 1.951,303 16.938,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 52,315 302,316 4.292,317 3.287,318 6.219,319 3.926,320 2.967,321 3.921,322 1.263,323 9.375,324 2.845,325 3.842,326 3.043,327 5.34,328 3.431,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.61,335 2.77,336 5.309,337 3.355,338 2.415,339 2.888,340 0.86,341 6.871,342 2.261,343 3.314,344 2.481,345 5.179,346 3.091,347 2.143,348 2.376,349 0.4,350 6.353,351 2.02,352 2.887,353 1.997,354 4.405,355 2.71,356 1.75,357 2.005,358 0.277,359 4.319,360 1.676,361 2.752,362 1.869,363 3.817,364 2.53,365 1.574,366 1.753,367 0.247,368 3.572,369 1.493,370 2.506,371 1.678,372 3.6,373 2.436,374 1.476,375 1.498,377 3.092,378 1.413,379 2.168,380 1.406,381 3.329,382 2.01,383 1.065,384 1.12,386 2.27,387 1.003,388 2.064,389 1.308,390 3.247,391 1.917,392 1,393 1.036,395 2.136,396 0.916,397 1.983,398 1.158,399 3.215,400 1.777,401 0.825,402 0.937,404 1.842,405 0.78,406 1.565,407 0.816,408 2.822,409 1.341,410 0.448,411 0.487,413 0.797,414 0.394,415 1.394,416 0.618,417 2.769,418 1.241,419 0.327,420 0.342,422 0.646,423 0.299,424 0.898,425 0.014,426 2.346,427 0.718,428 -0.223,429 -0.236,431 -0.521,432 -0.209,433 0.747,434 -0.094,435 2.263,436 0.434,437 -0.499,438 -0.561,440 -1.079,441 -0.459,442 0.574,443 -0.288,444 2.102,445 0.385,446 -0.56,447 -0.612,449 -1.382,450 -0.524,451 11.267,452 0.469,453 0.324,454 0.014,455 24.5,456 1.021,457 8.5,458 0.354,459 16,460 0.667,461 21.82,462 0.909,463 28.333,464 0.545,465 15.325,466 0.639,467 4.772,468 0.199,469 7.076,470 0.295,471 0.044,473 0.222,479 0.993,480 1.585,481 0.954,482 1.34,483 0.912,484 1.16,485 1.244,486 1.099,487 1.082,488 1.116,489 1.09,490 1.08,491 1.241,492 1.025,493 1.025,494 0.971,495 1.164,496 0.967,497 1.095,498 0.972,499 1.145,500 1.022,501 1.167,502 1.072,503 0.858,504 1.023,505 0.969,506 1.042,507 0.879,508 1.022,509 1.147,510 0.879,511 1.03,512 0.957,513 1.076,514 0.984,515 0.9,516 1.044,517 1.041,518 1.053,519 0.91,520 1.075,521 0.808,522 0.966,523 0.945,524 0.944,525 0.87,526 0.951,527 3.5,528 0.054,529 1.556,530 0.688,531 0.898,532 0.41,533 0.242,534 0.127,535 0.123,536 0.077,537 7874,538 16924,539 2.114,540 53.8,541 2,542 17,545 3,547 2,548 4,550 1.658,551 2.057,552 3.618,553 0.998,554 1,555 1,559 76.758,560 1.476,561 3.179,562 4.565,563 5.109,564 5.224,565 5.263,566 3.074,567 3.804,568 4.558,569 3.786,570 1044.81,571 7.807,572 13490.9,574 1,576 1,577 296.423,578 0.974,579 4.551,580 0.135,581 0.003,582 0.047,583 0.021,584 0.036,585 0.019,586 0.012,587 0.007,588 0.008,589 0.005,590 0.293,591 0.33,592 1,593 0.573,594 118.824,595 -0.039,596 -0.211,597 0.065,598 -0.098,599 0.027,600 -0.011,601 -0.044,602 0.074,603 -0.049,604 -0.047,605 0.04,606 -0.049,607 -0.081,608 -0.009,609 -0.014,610 0.012,611 -0.052,612 0.011,613 -0.029,614 0.043,615 -0.147,616 -0.058,617 -0.109,618 -0.106,619 -0.038,620 -0.071,621 -0.015,622 -0.06,623 -0.042,624 -0.035,625 -0.06,626 0.046,627 -0.044,628 0.003,629 -0.061,630 -0.02,631 0.046,632 -0.096,633 -0.072,634 -0.072,635 0.004,636 -0.094,637 -0.043,638 -0.044,639 0.005,640 -0.015,641 -0.058,642 0.003,643 1.095,644 2.589,645 0.667,646 24.5,647 0.994,648 1.142,649 1.827,650 3.338,651 0.617,652 3.296,653 3.526,654 3.738,655 3.932,656 4.159,657 4.111,658 4.127,659 4.159,660 4.205,661 4.007,662 7.418,663 0.574,664 332.5,665 3.296,666 4.779,667 5.587,668 6.415,669 7.241,670 8.077,671 8.911,672 9.754,673 10.593,674 11.439,675 7.7,677 3,684 1,688 3,693 3,695 6,712 2,714 52,716 7,717 1,718 26,720 54,721 18,722 6,723 3,724 3,730 3,731 4,734 1,740 4,743 5,745 7,746 11,750 1,758 1,759 1,760 1,761 1,764 28,765 6,766 3,767 6,773 4,777 0.667,778 2,793 3,797 1,814 3,819 2,823 1,827 24,833 9,834 3,835 2,837 1,847 3.8,852 2,854 11.667,855 9.117,856 5.528,857 3.296,858 1.369,859 1.197,860 0.956,861 6.756,862 8.309,863 3.434,864 3.861,865 4.28,866 4.695,867 5.147,868 5.17,869 5.254,870 5.362,871 5.504,872 5.19,873 1,874 32,875 8.903,877 3.616,878 7.458,879 17.685,881 14.304,883 1.958,884 47,885 0.001,888 294.278,889 75.55,890 70.818,892 22,895 75.55,896 316.277,897 70.818,898 10.883,899 20.667,900 82.461,902 52.458,903 1.899,904 294.278,906 294.278,907 146.368,908 22,911 223.651,912 92.626,915 91.484,916 54.883,919 294.278,920 92.818,921 75.55,924 294.278,925 36.238,926 39.312,927 54.032,928 38.785,929 294.278,930 92.818,931 75.55,933 0.553,934 0.315,935 0.167,936 0.095,937 14,938 5,939 0.148,940 8,941 1,942 1.125,943 3.911,944 174.959,945 0.125,946 16,947 110.039,951 17.522,952 9.254,953 5.356,955 92.818,956 6.091,961 3.097,963 54.032,964 462.645,965 30,973 4.4,974 0.947,975 51.665,976 59.394,977 0.259,978 0.558,979 0.801,980 0.896,981 0.916,982 0.923,983 4.64,984 1.065,985 5.501,986 3.092,987 4.205,988 4.543,989 2.001,990 6.192,991 4.086,992 5.744,993 1,994 6.974,995 2.27,996 3.434,997 4.086,998 0.623,999 6.823,1000 3.249,1001 6.989,1002 0.825,1003 8.546,1004 2.136,1005 5.673,1006 6.511,1007 1.925,1008 9.893,1009 5.443,1010 8.267,1011 0.448,1012 10.178,1013 1.842,1014 5.771,1015 6.941,1016 1.178,1017 11.398,1018 5.47,1019 9.584,1020 0.327,1021 11.852,1022 0.797,1023 7.394,1024 8.809,1025 2.027,1026 13.937,1027 7.061,1028 10.926,1029 -0.223,1030 13.554,1031 0.646,1032 7.943,1033 9.665,1034 1.663,1035 15.825,1036 7.548,1037 12.287,1038 -0.499,1039 15.277,1040 -0.521,1041 9.273,1042 11.289,1043 2.249,1044 18.174,1045 8.849,1046 2.967,1047 -0.56,1048 17.015,1049 -1.079,1050 10.067,1051 12.369,1052 2.128,1053 20.245,1054 9.592,1055 2.522,1056 9.375,1057 18.766,1058 -1.382,1059 11.255,1060 13.874,1061 2.561,1062 22.522,1063 10.75,1064 2.415,1065 6.965,1066 20.528,1067 3.921,1068 12.183,1069 15.077,1070 2.589,1071 24.68,1072 11.635,1073 2.143,1074 6.871,1075 22.298,1076 3.091,1077 13.305,1078 16.52,1079 2.935,1080 26.93,1081 12.726,1082 1.75,1083 6.353,1084 24.076,1085 2.888,1086 14.305,1087 17.793,1088 3.051,1089 29.13,1090 13.686,1091 1.574,1092 4.319,1093 25.86,1094 2.376,1095 15.399,1096 19.202,1097 3.346,1098 31.371,1099 14.747,1100 1.476,1101 3.572,1102 27.65,1103 2.005,1104 16.437,1105 20.514,1106 3.513,1107 33.591,1108 15.747,1109 7515,1110 11121,1111 17.97,1112 32.069,1113 37.06,1114 37.644,1115 37.578,1116 37.002,1117 37.028,1118 42.91,1119 7.813,1120 96.476,1121 34.787,1122 5.264,1123 5.287,1124 6.044,1125 5.025,1126 4.967,1127 6.921,1128 2.232,1129 15.778,1130 4.845,1131 6.622,1132 1.425,1133 1.448,1134 1.445,1135 1.423,1136 1.424,1137 1.65,1138 0.301,1139 3.711,1140 1.338,1141 3.992,1142 4.016,1143 3.931,1144 3.897,1145 4.92,1146 3.901,1147 3.826,1148 3.903,1149 3.725,1150 3.619,1151 4.751,1152 3.632,1153 3.68,1154 3.751,1155 3.548,1156 3.508,1157 4.575,1158 3.507,1159 3.539,1160 3.597,1161 3.388,1162 3.386,1163 4.279,1164 3.376,1165 3.301,1166 3.382,1167 3.137,1168 3.068,1169 4.119,1170 3.073,1171 3.168,1172 3.256,1173 2.973,1174 2.909,1175 3.945,1176 2.913,1177 3.04,1178 3.126,1179 2.847,1180 2.822,1181 3.754,1182 2.817,1183 2.924,1184 3.043,1185 2.748,1186 2.716,1187 3.732,1188 2.713,1189 0.165,1190 0.126,1191 0.239,1192 0.151,1193 0.114,1194 4.292,1195 0.151,1196 3.287,1197 0.049,1198 6.219,1199 0.361,1200 3.926,1201 0.109,1202 2.967,1203 3.921,1204 1.263,1205 9.375,1206 2.845,1207 1.945,1208 1.925,1209 2.067,1210 2.066,1211 1.35,1212 2.066,1213 1.757,1214 1.684,1215 1.966,1216 1.993,1217 1.232,1218 1.987,1219 1.661,1220 1.594,1221 1.899,1222 1.868,1223 1.193,1224 1.882,1225 1.535,1226 1.477,1227 1.769,1228 1.725,1229 0.996,1230 1.742,1231 1.259,1232 1.182,1233 1.578,1234 1.542,1235 0.75,1236 1.556,1237 1.144,1238 1.052,1239 1.503,1240 1.431,1241 0.57,1242 1.462,1243 1.023,1244 0.939,1245 1.33,1246 1.284,1247 0.531,1248 1.309,1249 0.904,1250 0.804,1251 1.285,1252 1.223,1253 0.492,1254 1.25,1255 3.97,1257 5.22,1259 6.673,1261 8.222,1263 9.822,1265 1.687,1271 9.074,1272 10.104,1273 11.362,1275 0.238,1280 29.837,1281 76.758,1282 165.296,1283 237.403,1284 265.668,1285 271.668,1286 273.668,1287 33.852,1288 6.939,1289 66.91,1290 66.91,1291 18,1292 12.002,1293 3,1294 2.322,1295 39.796,1296 108,1297 96,1298 0.175,1299 184.712,1300 323,1301 442.458,1302 10477,1304 16.615,1305 0.692,1306 0.602,1307 16.615,1308 14.437,1309 11.848,1310 0.456,1311 0.343,1312 8.761,1313 11.287,1314 8.599,1315 7.117,1316 11.848,1317 8.914,1318 9.782,1319 0.296,1320 0.189,1321 9.782,1322 6.247,1323 8.107,1324 0.198,1325 0.107,1326 8.107,1327 4.396,1328 6.417,1329 0.128,1330 0.06,1331 6.417,1332 3.011,1333 5.286,1334 0.084,1335 0.035,1336 5.286,1337 2.174,1338 0.29,1339 74.88,1340 0.236,1341 24.453,1342 0.44,1343 118,1344 316.115,1345 131.802,1346 295.148,1347 407.18,1348 282,1349 133,1350 296.529,1351 146.527,1352 295.516,1353 429.48,1354 279,1355 8.5} {0 CHEMBL92139,1 1.577,2 9.087,3 3.876,4 15.02,5 93.758,6 7.639,7 0.64,8 3.846,9 3.95,10 3.622,11 3.463,12 4.856,13 3.396,14 4.395,15 4.565,16 3.914,17 3.855,18 5.605,19 3.773,20 4.6,21 4.773,22 4,23 4.022,24 5.698,25 3.897,26 4.77,27 4.986,28 3.945,29 3.996,30 5.916,31 3.881,32 4.663,33 4.886,34 3.764,35 3.881,36 5.771,37 3.769,38 4.51,39 4.715,40 3.625,41 3.825,42 5.559,43 3.701,44 4.506,45 4.734,46 3.409,47 3.738,48 5.47,49 3.575,50 4.389,51 4.656,52 3.138,53 3.503,54 5.287,55 3.287,56 0.07,57 0.63,58 11.754,59 4.41,60 13.515,61 5.388,62 0.331,63 1.031,64 18.665,65 7.024,66 42.942,67 8.908,68 0.1,69 1.228,70 25.74,71 10.174,72 25.773,73 12.108,74 0.259,75 1.341,76 32.205,77 11.405,78 58.755,79 13.714,80 0.294,81 1.202,82 27.264,83 9.56,84 55.571,85 11.895,86 0.208,87 1.075,88 22.833,89 8.62,90 35.886,91 10.839,92 0.208,93 1.029,94 22.941,95 8.565,96 41.184,97 11.194,98 0.3,99 0.901,100 20.388,101 7.327,102 36.437,103 9.845,104 20,105 36,106 0.273,107 0.54,108 0.681,109 0.78,110 0.812,111 0.812,112 3.189,113 1.078,114 -3.93,115 -3.89,116 -3.69,119 41.9,121 1,124 2,125 1,140 9,141 2,142 1,149 1,150 1,169 10,171 3,172 4,178 11,182 9,189 8,193 16,199 2,203 9,211 6,214 1,215 5,222 10,233 11,236 2,244 6,249 2,256 2,259 687,260 15.239,261 15.239,262 15.239,263 15.239,264 15.239,265 13.151,266 9.653,267 8.977,268 15.554,269 12.334,270 12.334,271 12.334,272 12.334,273 12.334,274 9.149,275 7.652,276 4.231,277 12.851,278 3.849,279 2.302,280 1.489,281 0.919,282 0.733,283 0.733,284 3.864,287 1,288 1,289 1,290 440,291 3.674,294 46.584,295 129.414,298 89.304,302 1.497,303 23.861,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49,315 209,316 5.025,317 4.721,318 7.737,319 4.502,320 3.571,321 4.976,322 0.8,323 13.995,324 3.316,325 4.468,326 3.17,327 6.615,328 3.975,329 2.999,330 4.355,332 10.441,333 2.911,334 3.688,335 2.625,336 5.75,337 3.286,338 2.329,339 3.184,341 7.312,342 2.229,343 3.448,344 2.395,345 5.018,346 3.081,347 2.14,348 2.835,350 5.407,351 2.017,352 3.166,353 1.965,354 4.634,355 2.875,356 1.895,357 2.322,359 4.995,360 1.84,361 3.048,362 1.553,363 4.226,364 2.545,365 1.548,366 2.184,368 3.709,369 1.542,370 2.731,371 1.464,372 4.082,373 2.258,374 1.28,375 1.827,377 3.317,378 1.246,379 2.551,380 1,381 3.54,382 2,383 1,384 1.54,386 2.536,387 1,388 2.5,389 1,390 3.368,391 1.979,392 1,393 1.5,395 2.136,396 0.977,397 2.271,398 0.99,399 3.247,400 1.868,401 0.889,402 1.173,404 2.106,405 0.869,406 1.629,407 0.484,408 2.964,409 1.382,410 0.403,411 0.486,413 0.935,414 0.394,415 1,416 0.06,417 2.704,418 0.52,419 -0.462,420 -0.576,422 -1.141,423 -0.453,424 0.872,425 -0.256,426 2.459,427 0.232,428 -0.727,429 -1,431 -1.635,432 -0.677,433 0.736,434 -0.6,435 2.324,436 0.15,437 -0.846,438 -1.012,440 -2,441 -0.841,442 0.626,443 -0.84,444 2,446 -1,447 -1.223,449 -2.266,450 -0.9,451 11.3,452 0.491,453 0.674,454 0.029,455 31.25,456 1.359,457 17,458 0.739,459 14.25,460 0.62,461 16.603,462 0.722,463 24.7,464 0.574,465 23.242,466 1.011,467 6.162,468 0.268,469 4.837,470 0.21,471 0.147,472 0.074,473 0.248,479 0.461,480 1.414,481 0.843,482 1.266,483 0.644,484 1.001,485 0.743,486 0.863,487 0.82,488 0.757,489 0.557,490 0.8,491 0.889,492 1.194,493 1.148,494 1.224,495 0.783,496 1.089,497 1.326,498 1.03,499 1.049,500 1.032,501 1.353,502 0.914,503 1.436,504 0.909,505 0.967,506 0.862,507 1.422,508 0.884,509 1.032,510 0.987,511 1.096,512 1.058,513 0.997,514 1.066,515 0.984,516 1.082,517 1.052,518 1.093,519 1.076,520 1.163,521 0.846,522 0.902,523 0.946,524 0.907,525 0.909,526 1.11,527 5,528 0.054,529 3.556,530 2,531 1.392,532 0.872,533 0.499,534 0.314,535 0.152,536 0.066,537 5076,538 12693,539 2.031,540 46.5,542 17,543 1,547 2,550 1.661,551 1.878,552 3.159,553 -0.772,555 1,557 1,559 67.832,560 1.577,561 3.125,562 3.937,563 4.507,564 4.693,565 4.693,566 2.687,567 3.915,568 4.489,569 3.296,570 833.806,571 7.752,572 9170.36,574 1,576 1,577 233.329,578 1.631,579 4.433,580 0.2,581 0.008,582 0.099,583 0.054,584 0.039,585 0.028,586 0.018,587 0.015,588 0.012,589 0.005,590 0.477,591 0.5,592 1,593 1.226,594 106.033,595 0.182,596 -0.25,597 0.251,598 -0.125,599 -0.147,600 -0.006,601 0.262,602 0.267,603 0.131,604 0.207,605 0.248,606 0.132,607 -0.015,608 -0.137,609 -0.019,610 -0.11,611 0.075,612 -0.092,613 -0.068,614 -0.061,615 0.031,616 -0.007,617 0.016,618 0.059,619 -0.166,620 0.062,621 -0.016,622 0.072,623 -0.089,624 0.063,625 -0.093,626 0.016,627 -0.161,628 -0.09,629 -0.07,630 -0.097,631 -0.109,632 -0.149,633 -0.167,634 -0.153,635 -0.147,636 -0.179,637 0.053,638 0.035,639 -0.07,640 -0.021,641 -0.083,642 -0.145,643 4.481,644 5.841,645 0.652,646 18.537,647 0.997,648 1.118,649 2.703,650 7.308,651 0.684,652 3.258,653 3.611,654 3.892,655 4.159,656 4.357,657 4.443,658 4.554,659 4.615,660 4.595,661 4.543,662 5.367,663 0.637,664 328.47,665 3.258,666 4.812,667 5.673,668 6.575,669 7.466,670 8.378,671 9.281,672 10.199,673 11.11,674 12.032,675 4.7,678 1,683 1,687 2,688 10,693 2,694 1,695 16,714 43,716 18,717 2,718 25,720 45,721 18,722 14,723 4,724 8,730 3,731 4,743 1,745 14,746 4,750 2,753 1,755 2,761 1,764 20,765 3,767 5,768 1,773 2,777 0.667,778 2,788 1,792 1,793 2,796 1,815 1,819 2,821 1,823 2,827 23,830 1,833 2,838 1,847 4.7,850 2,854 12.25,855 8.233,856 5,857 2.442,858 3.119,859 1.449,860 1.002,861 4.356,862 10.072,863 3.584,864 4.259,865 4.888,866 5.515,867 6.037,868 6.391,869 6.799,870 7.151,871 7.299,872 7.58,873 1,874 37,875 8.748,877 3.933,878 7.786,879 16.431,881 13.7,883 2.286,884 52.583,887 1,888 235.422,889 131.027,890 3.418,892 44.313,894 5.807,895 125.22,896 279.735,897 3.418,898 16.793,899 4.64,900 100.141,901 44.313,902 10.727,903 13.915,904 223.651,906 235.422,907 128.638,908 44.313,909 5.807,911 211.88,912 67.855,915 8.058,916 120.58,917 5.807,919 235.422,920 47.731,921 131.027,923 5.807,924 235.422,925 14.094,926 114.544,928 44.313,929 235.422,930 47.731,931 131.027,933 0.587,934 0.338,935 0.181,936 0.1,937 18,938 8,939 0.111,940 5,941 1,942 1.133,943 3.404,944 187.5,945 0.133,946 15,947 96.042,950 1,951 15.942,952 6.285,953 3.086,954 1.721,955 47.437,956 17.903,961 1.467,962 1.372,964 414.18,965 35,968 -3.564,970 25.682,975 42.887,976 48.072,977 0.291,978 0.576,979 0.726,980 0.831,981 0.865,982 0.865,983 4.82,984 1,985 5.707,986 3.317,987 4.29,988 4.945,989 0.673,990 6.616,991 4.209,992 6.082,993 1,994 7.338,995 2.536,996 4.111,997 5.075,998 0.325,999 7.984,1000 3.921,1001 7.452,1002 0.889,1003 9.098,1004 2.136,1005 6.014,1006 7.362,1007 0.379,1008 11.103,1009 5.818,1010 8.877,1011 0.403,1012 10.941,1013 2.106,1014 6.698,1015 8.373,1016 0.268,1017 13.323,1018 6.382,1019 10.347,1020 -0.462,1021 12.84,1022 0.935,1023 8.143,1024 10.186,1025 0.239,1026 16.076,1027 7.805,1028 11.849,1029 -0.727,1030 14.775,1031 -1.141,1032 9.179,1033 11.547,1034 0.188,1035 18.566,1036 8.731,1037 13.376,1038 -0.846,1039 16.736,1040 -1.635,1041 10.482,1042 13.204,1043 0.156,1044 21.228,1045 9.989,1046 3.571,1047 -1,1048 18.716,1049 -2,1050 11.655,1051 14.701,1052 0.125,1053 23.808,1054 11.065,1055 2.999,1056 13.995,1057 20.71,1058 -2.266,1059 12.919,1060 16.308,1061 0.102,1062 26.448,1063 12.268,1064 2.329,1065 10.441,1066 22.714,1067 4.976,1068 14.145,1069 17.858,1070 0.082,1071 29.061,1072 13.406,1073 2.14,1074 7.312,1075 24.726,1076 4.355,1077 15.402,1078 19.451,1079 0.066,1080 31.697,1081 14.592,1082 1.895,1083 5.407,1084 26.744,1085 3.184,1086 16.649,1087 21.024,1088 0.054,1089 34.324,1090 15.756,1091 1.548,1092 4.995,1093 28.767,1094 2.835,1095 17.908,1096 22.614,1097 0.043,1098 36.959,1099 16.939,1100 1.28,1101 3.709,1102 30.794,1103 2.322,1104 19.165,1105 24.198,1106 0.035,1107 39.592,1108 18.116,1109 5060,1110 8192,1111 16.296,1112 29.421,1113 38.249,1114 38.488,1115 38.998,1116 38.206,1117 38.11,1118 52.766,1119 1.6,1120 113.778,1121 36.683,1122 5.851,1123 6.721,1124 7.539,1125 5.556,1126 5.571,1127 7.976,1128 1.2,1129 22.423,1130 5.316,1131 11.756,1132 1.53,1133 1.54,1134 1.56,1135 1.528,1136 1.524,1137 2.111,1138 0.064,1139 4.551,1140 1.467,1141 4.229,1142 4.231,1143 4.777,1144 4.183,1145 7.716,1146 4.134,1147 3.939,1148 3.946,1149 3.991,1150 3.911,1151 6.999,1152 3.876,1153 3.685,1154 3.756,1155 3.674,1156 3.561,1157 4.894,1158 3.521,1159 3.56,1160 3.578,1161 3.491,1162 3.398,1163 4.711,1164 3.377,1165 3.282,1166 3.299,1167 3.222,1168 3.186,1169 4.328,1170 3.158,1171 3.176,1172 3.257,1173 2.992,1174 3.015,1175 4.219,1176 2.996,1177 2.874,1178 3.009,1179 2.687,1180 2.735,1181 3.804,1182 2.715,1183 2.854,1184 2.925,1185 2.538,1186 2.618,1187 3.674,1188 2.57,1189 0.201,1190 0.189,1191 0.309,1192 0.18,1193 0.143,1194 5.025,1195 0.199,1196 4.721,1197 0.032,1198 7.737,1199 0.56,1200 4.502,1201 0.133,1202 3.571,1203 4.976,1204 0.8,1205 13.995,1206 3.316,1207 2.008,1208 2.011,1209 2.064,1210 2.084,1211 1.305,1212 2.111,1213 1.923,1214 1.908,1215 1.995,1216 1.993,1217 1.18,1218 2.017,1219 1.621,1220 1.59,1221 1.842,1222 1.838,1223 0.998,1224 1.848,1225 1.549,1226 1.485,1227 1.625,1228 1.727,1229 0.791,1230 1.747,1231 1.224,1232 1.214,1233 1.52,1234 1.404,1235 0.675,1236 1.453,1237 1.18,1238 1.095,1239 1.417,1240 1.345,1241 0.469,1242 1.385,1243 0.934,1244 0.838,1245 1.214,1246 1.239,1247 0.454,1248 1.308,1249 0.886,1250 0.821,1251 1.181,1252 1.062,1253 0.218,1254 1.107,1255 3.932,1257 5.273,1258 2.398,1259 6.819,1260 4.727,1261 8.462,1262 6.88,1263 10.159,1265 4.066,1271 1.815,1276 2.122,1280 27.401,1281 67.832,1282 134.361,1283 169.29,1284 193.82,1285 201.82,1286 201.82,1287 43.364,1288 6.953,1289 42.31,1290 50.69,1291 17,1292 12.542,1293 4.248,1294 3.459,1295 36.709,1296 73,1297 77,1298 0.256,1299 173.473,1300 289.79,1301 415.033,1302 8592,1304 16.449,1305 0.715,1306 0.614,1307 16.699,1308 14.123,1309 10.998,1310 0.44,1311 0.359,1312 7.579,1313 9.909,1314 7.187,1315 6.03,1316 11.787,1317 8.983,1318 10.33,1319 0.287,1320 0.212,1321 11.63,1322 7.648,1323 8.323,1324 0.173,1325 0.117,1326 9.651,1327 5.62,1328 6.908,1329 0.11,1330 0.064,1331 8.14,1332 4.052,1333 5.441,1334 0.071,1335 0.037,1336 6.545,1337 2.882,1338 0.389,1339 76.172,1340 0.248,1341 22.229,1342 0.738,1343 122,1344 335.622,1345 170.358,1346 350.255,1347 478.96,1348 322,1349 145,1350 326.499,1351 203.509,1352 373.741,1353 546.8,1354 348,1355 8.032} {0 CHEMBL92207,1 1.448,2 14.848,3 4.182,4 17.49,5 132.357,6 6.979,7 0.568,8 4.252,9 4.392,10 3.778,11 3.773,12 5.26,13 3.742,14 4.828,15 5.031,16 4.12,17 4.198,18 5.753,19 4.141,20 5.101,21 5.335,22 4.138,23 4.364,24 5.983,25 4.251,26 5.236,27 5.506,28 4.087,29 4.391,30 6.053,31 4.248,32 5.254,33 5.542,34 3.987,35 4.332,36 6.086,37 4.176,38 5.147,39 5.442,40 3.973,41 4.246,42 5.944,43 4.108,44 5.028,45 5.285,46 3.934,47 4.186,48 5.935,49 4.057,50 5.036,51 5.333,52 3.756,53 4.092,54 5.844,55 3.935,56 0.063,57 1.065,58 14.348,59 5.724,60 12.307,61 8.121,62 0.287,63 1.75,64 27.545,65 9.473,66 24.468,67 13.743,68 0.441,69 2.156,70 37.349,71 13.501,72 41.19,73 19.447,74 0.372,75 2.281,76 43.725,77 15.726,78 44.805,79 22.757,80 0.51,81 2.278,82 46.081,83 15.975,84 67.963,85 22.708,86 0.416,87 2.005,88 40.955,89 13.639,90 47.443,91 20.291,92 0.346,93 1.925,94 35.497,95 12.562,96 49.139,97 17.888,98 0.401,99 1.778,100 36.856,101 11.964,102 47.2,103 17.829,104 5,105 51,106 0.23,107 0.562,108 0.777,109 0.855,110 0.872,111 0.872,112 3.531,113 0.951,114 -5.45,115 -5.33,116 -4.97,119 40.6,121 3,124 1,125 4,127 2,140 8,141 3,142 1,149 1,150 1,158 2,164 1,169 11,171 2,172 6,176 3,178 11,182 5,186 3,189 8,192 1,193 8,197 1,199 5,203 7,206 1,211 5,215 6,218 1,222 4,226 6,229 2,233 2,236 1,237 6,242 1,244 2,249 2,256 4,259 1942,260 22.792,261 22.792,262 22.792,263 22.792,264 22.792,265 20.353,266 26.572,267 13.6,268 23.275,269 18.297,270 18.297,271 18.297,272 18.297,273 18.297,274 14.725,275 32.92,276 6.484,277 19.112,278 4.552,279 2.461,280 1.11,281 0.617,282 0.512,283 0.512,284 4.241,289 1,290 1092,291 3.391,294 178.505,295 340.439,298 152.368,302 2.296,303 21.969,306 0.75,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.86,314 70.5,315 490,316 4.568,317 3.347,318 6.566,319 4.099,320 3.118,321 4.518,322 0.916,323 10.431,324 3.062,325 4.129,326 3.196,327 6.411,328 3.943,329 3.003,330 3.731,331 0.8,332 9.751,333 2.818,334 4.041,335 2.889,336 6.095,337 3.689,338 2.752,339 3.46,340 0.172,341 8.884,342 2.577,343 3.846,344 2.865,345 5.463,346 3.526,347 2.553,348 2.969,350 7.294,351 2.493,352 3.447,353 2.608,354 5.285,355 3.262,356 2.323,357 2.812,359 6.744,360 2.17,361 3.361,362 2.276,363 5.127,364 3.011,365 2.033,366 2.593,368 6.002,369 1.981,370 3.246,371 2.178,372 4.679,373 2.735,374 1.788,375 2.393,377 4.715,378 1.693,379 2.952,380 1.795,381 4.514,382 2.697,383 1.764,384 2.086,386 4.654,387 1.634,388 2.747,389 1.575,390 4.133,391 2.412,392 1.432,393 1.85,395 3.478,396 1.393,397 2.691,398 1.382,399 3.878,400 2.314,401 1.331,402 1.711,404 3.227,405 1.305,406 2.5,407 1.28,408 3.54,409 2.149,410 1.18,411 1.5,413 2.766,414 1.14,415 2.426,416 1.125,417 3.464,418 2.021,419 1.059,420 1.4,422 2.462,423 1.016,424 2.276,425 1,426 3.316,427 2,428 1,429 1.239,431 2.136,432 1,433 2.159,434 0.922,435 3.247,436 1.851,437 0.885,438 1.116,440 2.086,441 0.853,442 2.118,443 0.656,444 3.177,445 1.55,446 0.618,447 0.927,449 1.443,450 0.565,451 15.686,452 0.475,453 0.674,454 0.02,455 40,456 1.212,457 18,458 0.545,459 22,460 0.667,461 30.937,462 0.937,463 35.914,464 0.561,465 28.943,466 0.877,467 7.876,468 0.239,469 8.293,470 0.251,471 0.05,473 0.3,474 1,479 0.689,480 1.312,481 0.82,482 1.158,483 0.545,484 1.033,485 1.096,486 1.026,487 1.002,488 0.944,489 0.83,490 0.947,491 0.987,492 1.057,493 1.091,494 1.123,495 1.061,496 1.126,497 0.921,498 1.052,499 1.004,500 1.084,501 0.93,502 1.065,503 1.322,504 1.071,505 1.047,506 1.005,507 1.644,508 1.003,509 0.946,510 0.884,511 0.876,512 0.851,513 0.863,514 0.851,515 1.16,516 1.205,517 1.091,518 1.172,519 1.323,520 1.14,521 1.07,522 0.94,523 1.013,524 0.943,525 1.037,526 0.963,527 5.5,528 0.124,529 3.556,530 1.882,531 1.388,532 1.076,533 0.527,534 0.327,535 0.247,536 0.213,537 18953,538 43835,539 2.168,540 48.4,541 2,542 21,543 1,544 2,545 1,547 2,548 2,550 1.746,551 2.084,552 3.837,553 -0.382,559 92.699,560 1.448,561 3.539,562 4.89,563 5.383,564 5.488,565 5.488,566 3.283,567 4.741,568 5.017,569 4.035,570 2130.48,571 8.75,572 33904.8,574 1,577 384,578 1.182,579 4.999,580 0.149,581 0.005,582 0.07,583 0.038,584 0.031,585 0.027,586 0.013,587 0.009,588 0.008,589 0.008,590 0.356,591 0.33,592 0.75,593 0.398,594 179.523,595 0.053,596 -0.175,597 0.079,598 -0.076,599 0.019,600 -0.012,601 -0.093,602 0.079,603 -0.043,604 0.058,605 -0.045,606 0.025,607 0.02,608 0.008,609 -0.124,610 -0.096,611 -0.025,612 -0.125,613 -0.014,614 -0.092,615 -0.03,616 -0.079,617 0.01,618 -0.062,619 -0.08,620 -0.023,621 -0.027,622 -0.004,623 -0.126,624 -0.01,625 -0.008,626 0.03,627 0.118,628 0.115,629 0.041,630 0.133,631 -0.028,632 -0.147,633 -0.097,634 -0.165,635 -0.044,636 -0.148,637 -0.054,638 -0.009,639 -0.009,640 0.01,641 -0.022,642 0.009,643 2.146,644 7.038,645 0.788,646 39.28,647 0.994,648 1.136,649 4.216,650 17.777,651 0.654,652 3.638,653 3.951,654 4.234,655 4.489,656 4.635,657 4.727,658 4.836,659 4.956,660 5.004,661 5.075,662 8.668,663 0.615,664 446.63,665 3.638,666 5.176,667 6.028,668 6.899,669 7.763,670 8.638,671 9.507,672 10.386,673 11.258,674 12.139,675 9.4,678 2,683 2,685 2,687 2,688 11,689 2,690 1,693 3,694 1,695 21,714 64,716 21,717 2,718 37,720 68,721 26,722 16,723 4,724 8,730 5,731 6,740 3,743 5,745 16,746 10,748 1,762 1,764 31,765 5,766 1,767 7,773 6,777 0.8,788 1,792 2,793 3,796 1,815 2,819 4,823 1,825 1,827 33,833 7,837 2,838 2,844 1,846 1,854 15.833,855 11.476,856 7.222,857 3.925,858 3.502,859 1.426,860 1.01,861 6.748,862 11.718,863 3.882,864 4.454,865 5.035,866 5.611,867 6.032,868 6.359,869 6.797,870 7.219,871 7.407,872 7.63,873 0.9,874 49,875 12.269,877 5.242,878 7.561,879 24.068,881 20.326,883 2.061,884 68,888 353.133,889 142.542,890 58.259,893 14.96,895 142.542,896 353.133,897 73.219,898 8.396,899 18.206,900 84.857,901 74.105,902 36.634,903 28.875,904 317.82,906 353.133,907 200.801,908 14.96,911 321.009,912 47.084,915 60.376,916 107.099,917 33.326,919 368.093,920 58.259,921 142.542,924 355.312,925 29.871,926 118.639,927 16.786,928 48.286,929 353.133,930 73.219,931 142.542,933 0.578,934 0.34,935 0.186,936 0.091,937 25,938 10,939 0.118,940 8,941 1,942 1.077,943 4.643,944 298.785,945 0.077,946 26,947 156.465,951 22.121,952 10.066,953 5.126,954 2.36,955 54.535,956 22.183,957 7.798,958 3.375,961 3.588,962 1.913,963 16.786,964 568.894,965 47.5,975 63.61,976 72.727,977 0.241,978 0.59,979 0.815,980 0.897,981 0.915,982 0.915,983 5.113,984 1.764,985 5.994,986 4.715,987 4.635,988 5.142,989 1.242,990 6.783,991 4.55,992 6.288,993 1.432,994 7.535,995 4.654,996 4.111,997 4.783,998 0.57,999 7.627,1000 3.961,1001 7.571,1002 1.331,1003 9.178,1004 3.478,1005 6.205,1006 7.294,1007 0.883,1008 10.729,1009 6.039,1010 8.891,1011 1.18,1012 10.881,1013 3.227,1014 6.553,1015 7.877,1016 0.581,1017 12.433,1018 6.324,1019 10.248,1020 1.059,1021 12.625,1022 2.766,1023 8.059,1024 9.792,1025 0.68,1026 15.022,1027 7.817,1028 11.631,1029 1,1030 14.397,1031 2.462,1032 8.809,1033 10.836,1034 0.515,1035 17.072,1036 8.514,1037 13.035,1038 0.885,1039 16.189,1040 2.136,1041 10.078,1042 12.504,1043 0.541,1044 19.485,1045 9.765,1046 3.118,1047 0.618,1048 17.995,1049 2.086,1050 11.018,1051 13.781,1052 0.441,1053 21.683,1054 10.662,1055 3.003,1056 10.431,1057 19.812,1058 1.443,1059 12.188,1060 15.344,1061 0.438,1062 24.032,1063 11.812,1064 2.752,1065 9.751,1066 21.638,1067 4.518,1068 13.218,1069 16.736,1070 0.373,1071 26.296,1072 12.807,1073 2.553,1074 8.884,1075 23.471,1076 3.731,1077 14.35,1078 18.258,1079 0.358,1080 28.624,1081 13.918,1082 2.323,1083 7.294,1084 25.31,1085 3.46,1086 15.423,1087 19.707,1088 0.314,1089 30.917,1090 14.962,1091 2.033,1092 6.744,1093 27.153,1094 2.969,1095 16.541,1096 21.214,1097 0.296,1098 33.239,1099 16.059,1100 1.788,1101 6.002,1102 29.001,1103 2.812,1104 17.635,1105 22.69,1106 0.264,1107 35.548,1108 17.129,1109 17357,1110 26571,1111 25.542,1112 41.87,1113 55.839,1114 55.12,1115 55.69,1116 55.053,1117 54.976,1118 70.334,1119 3.778,1120 155.183,1121 52.621,1122 5.568,1123 5.347,1124 6.367,1125 5.159,1126 5.118,1127 7.518,1128 1.605,1129 17.147,1130 5.062,1131 10.762,1132 1.509,1133 1.49,1134 1.505,1135 1.488,1136 1.486,1137 1.901,1138 0.102,1139 4.194,1140 1.422,1141 4.154,1142 4.193,1143 4.114,1144 4.062,1145 8.19,1146 4.07,1147 3.956,1148 4.007,1149 3.873,1150 3.864,1151 5.135,1152 3.859,1153 3.851,1154 3.911,1155 3.79,1156 3.707,1157 4.927,1158 3.711,1159 3.822,1160 3.887,1161 3.749,1162 3.586,1163 4.755,1164 3.624,1165 3.563,1166 3.636,1167 3.425,1168 3.398,1169 4.333,1170 3.398,1171 3.387,1172 3.467,1173 3.256,1174 3.195,1175 4.256,1176 3.2,1177 3.258,1178 3.331,1179 3.127,1180 3.084,1181 4.116,1182 3.082,1183 3.139,1184 3.225,1185 2.962,1186 2.939,1187 3.876,1188 2.925,1189 0.123,1190 0.09,1191 0.177,1192 0.111,1193 0.084,1194 4.568,1195 0.122,1196 3.347,1197 0.025,1198 6.566,1199 0.282,1200 4.099,1201 0.083,1202 3.118,1203 4.518,1204 0.916,1205 10.431,1206 3.062,1207 1.961,1208 1.936,1209 2.074,1210 2.072,1211 1.419,1212 2.076,1213 1.924,1214 1.89,1215 2.043,1216 2.048,1217 1.278,1218 2.046,1219 1.829,1220 1.772,1221 2,1222 1.974,1223 1.156,1224 1.988,1225 1.665,1226 1.609,1227 1.871,1228 1.834,1229 1.108,1230 1.85,1231 1.43,1232 1.353,1233 1.674,1234 1.686,1235 0.826,1236 1.679,1237 1.383,1238 1.311,1239 1.571,1240 1.626,1241 0.776,1242 1.619,1243 1.269,1244 1.194,1245 1.484,1246 1.481,1247 0.705,1248 1.496,1249 1.135,1250 1.052,1251 1.459,1252 1.442,1253 0.58,1254 1.41,1255 4.317,1257 5.631,1258 3.045,1259 7.132,1260 5.283,1261 8.718,1262 7.286,1263 10.35,1265 2.047,1267 15.038,1271 6.055,1275 -0.821,1276 4.464,1280 39.36,1281 92.699,1282 226.481,1283 312.98,1284 344.49,1285 351.245,1286 351.245,1287 52.555,1288 8.216,1289 52.98,1290 52.98,1291 28,1292 12.676,1293 4.459,1294 3.524,1295 48.235,1296 176,1297 160,1298 0.132,1299 238.822,1300 401.27,1301 574.485,1302 51877,1303 1.6,1304 22.623,1305 0.686,1306 0.578,1307 21.753,1308 19.069,1309 16.17,1310 0.437,1311 0.317,1312 11.56,1313 15.547,1314 11.304,1315 9.339,1316 15.759,1317 11.728,1318 14.347,1319 0.281,1320 0.178,1321 13.808,1322 9.09,1323 12.361,1324 0.182,1325 0.1,1326 11.982,1327 6.821,1328 10.526,1329 0.12,1330 0.057,1331 9.951,1332 5.005,1333 7.678,1334 0.075,1335 0.032,1336 7.517,1337 3.313,1338 0.215,1339 101.186,1340 0.198,1341 31.499,1342 0.338,1343 176,1344 474.67,1345 191.016,1346 440.659,1347 606.47,1348 416,1349 207,1350 446.476,1351 224.147,1352 451.959,1353 656.67,1354 424,1355 7.886} {0 CHEMBL92320,1 1.404,2 11.913,3 2.213,4 4.899,5 93.11,6 6.206,7 0.24,8 4.003,9 4.153,10 3.414,11 3.47,12 4.887,13 3.424,14 4.6,15 4.816,16 3.696,17 3.863,18 5.433,19 3.77,20 4.923,21 5.196,22 3.752,23 4.007,24 5.66,25 3.879,26 4.879,27 5.162,28 3.52,29 3.922,30 5.584,31 3.761,32 4.772,33 5.061,34 3.385,35 3.847,36 5.42,37 3.661,38 4.746,39 5.063,40 3.219,41 3.74,42 5.357,43 3.525,44 4.603,45 4.92,46 3.132,47 3.596,48 5.204,49 3.392,50 4.477,51 4.791,52 3.053,53 3.491,54 5.102,55 3.306,56 0.067,57 0.751,58 12.874,59 4.585,60 7.019,61 6.997,62 0.263,63 1.17,64 23.504,65 7.813,66 19.814,67 11.885,68 0.387,69 1.383,70 32.099,71 9.77,72 28.515,73 15.434,74 0.399,75 1.289,76 30.655,77 9.146,78 28.706,79 14.532,80 0.247,81 1.179,82 26.943,83 8.849,84 20.305,85 13.935,86 0.29,87 1.078,88 26.069,89 8.572,90 22.266,91 13.406,92 0.256,93 0.929,94 22.549,95 7.234,96 17.894,97 11.53,98 0.202,99 0.842,100 19.982,101 6.075,102 15.72,103 9.915,105 31,106 0.241,107 0.532,108 0.744,109 0.872,110 0.899,111 0.905,112 3.186,113 1.067,114 -3.56,115 -3.53,116 -3.37,119 35.3,121 5,125 5,127 1,140 4,141 1,142 1,157 1,169 7,172 4,174 2,175 1,176 3,178 7,182 4,184 1,186 1,189 6,193 2,196 1,197 3,199 5,203 1,208 3,211 4,218 1,219 1,220 2,222 2,229 1,231 2,233 3,242 2,244 2,248 1,249 1,252 1,254 4,256 1,259 747,260 16.173,261 16.173,262 16.173,263 16.173,264 16.173,265 15.137,266 24.585,267 10.284,268 16.557,269 12.421,270 12.421,271 12.421,272 12.421,273 12.421,274 10.873,275 31.576,276 4.967,277 13.061,278 4.268,279 2.569,280 1.333,281 0.588,282 0.431,283 0.392,284 3.881,287 1,288 1,289 1,290 595,291 2.828,295 146.109,296 68.538,300 113.752,302 1.758,303 14.275,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 49,315 274,316 4.216,317 3.23,318 6.171,319 3.859,320 2.9,321 3.809,322 1.263,323 9.181,324 2.786,325 3.842,326 3.043,327 5.34,328 3.431,329 2.522,330 3.091,331 0.86,332 6.965,333 2.292,334 3.426,335 2.624,336 5.297,337 3.316,338 2.361,339 2.468,340 0.4,341 6.812,342 2.242,343 2.951,344 2.012,345 4.401,346 2.72,347 1.76,348 2.104,349 0.277,350 4.365,351 1.689,352 2.868,353 1.908,354 3.821,355 2.661,356 1.685,357 1.99,358 0.247,359 3.586,360 1.638,361 2.753,362 1.696,363 3.638,364 2.452,365 1.495,366 1.757,368 3.127,369 1.428,370 2.51,371 1.49,372 3.592,373 2.398,374 1.414,375 1.503,377 3.011,378 1.386,379 2.26,380 1.404,381 3.388,382 2.102,383 1.129,384 1.232,386 2.445,387 1.096,388 2.12,389 1.308,390 3.247,391 1.917,392 1,393 1.061,395 2.136,396 0.916,397 2.008,398 1.046,399 3.191,400 1.878,401 0.926,402 0.996,404 2.025,405 0.878,406 1.436,407 0.63,408 2.775,409 1.301,410 0.361,411 0.378,413 0.802,414 0.338,415 1.071,416 0.2,417 2.619,418 0.883,419 -0.076,420 -0.082,422 -0.173,423 -0.072,424 0.958,425 0.065,426 2.318,427 0.759,428 -0.182,429 -0.199,431 -0.466,432 -0.171,433 0.625,434 -0.174,435 2,436 0.5,437 -0.443,438 -0.459,440 -0.985,441 -0.415,442 0.477,443 -0.547,444 1.942,445 0.118,446 -0.836,447 -0.866,449 -1.815,450 -0.785,451 10.933,452 0.475,453 0.256,454 0.011,455 23,456 1,457 8,458 0.348,459 15,460 0.652,461 21.291,462 0.926,463 26.867,464 0.527,465 13.49,466 0.587,467 4.287,468 0.186,469 7.129,470 0.31,473 0.183,479 1.031,480 1.524,481 0.997,482 1.281,483 0.942,484 1.15,485 1.153,486 1.173,487 1.134,488 1.214,489 1.069,490 1.176,491 1.357,492 0.988,493 0.996,494 0.946,495 1.221,496 0.936,497 1.54,498 0.902,499 1.179,500 0.949,501 1.43,502 1.017,503 0.969,504 1.071,505 1.071,506 1.085,507 1.001,508 1.09,509 0.762,510 0.885,511 0.964,512 0.977,513 0.802,514 0.992,515 0.736,516 0.942,517 0.886,518 0.93,519 0.742,520 0.927,521 0.951,522 0.905,523 0.958,524 0.89,525 0.985,526 0.911,527 2.5,528 0.041,529 1.333,530 0.688,531 0.588,532 0.198,533 0.136,534 0.065,535 0.097,536 0.056,537 7038,538 13754,539 2.146,540 54.9,541 4,542 15,545 3,547 2,548 4,550 1.646,551 2.123,552 3.523,553 0.989,554 1,555 1,559 71.629,560 1.404,561 3.104,562 4.339,563 5.084,564 5.241,565 5.28,566 2.91,567 4.089,568 4.499,569 3.696,570 935.208,571 7.686,572 11621,574 1,576 1,577 289.294,578 0.667,579 4.503,580 0.1,581 0.003,582 0.043,583 0.021,584 0.025,585 0.009,586 0.008,587 0.004,588 0.006,589 0.004,590 0.223,591 0.5,592 1,594 111.818,595 -0.029,596 -0.159,597 0.06,598 -0.05,599 0.031,600 0.008,601 0.038,602 0.015,603 -0.091,604 -0.133,605 0.055,606 -0.127,607 -0.035,608 0.003,609 0.024,610 0.028,611 -0.024,612 0.034,613 -0.203,614 0.079,615 -0.16,616 -0.005,617 -0.223,618 -0.069,619 -0.091,620 -0.097,621 -0.106,622 -0.093,623 -0.115,624 -0.101,625 0.046,626 0.022,627 -0.017,628 -0.031,629 0.028,630 -0.033,631 0.092,632 -0.049,633 0.061,634 0.015,635 0.076,636 0.03,637 -0.071,638 0.029,639 0.006,640 0.038,641 -0.092,642 0.035,643 1.045,644 2.651,645 0.739,646 20.76,647 0.987,648 1.141,649 2.331,650 5.434,651 0.62,652 3.258,653 3.466,654 3.664,655 3.85,656 4.025,657 3.989,658 3.97,659 3.989,660 4.007,661 4.025,662 7.067,663 0.571,664 316.5,665 3.258,666 4.727,667 5.525,668 6.34,669 7.152,670 7.974,671 8.792,672 9.618,673 10.44,674 11.268,675 7.8,677 3,684 1,688 4,693 2,695 6,712 1,714 51,716 7,717 1,718 25,720 53,721 18,722 6,723 2,724 4,730 3,731 4,734 1,740 5,743 6,745 7,746 11,750 1,758 1,759 1,760 1,761 1,764 28,765 5,766 3,767 5,773 4,777 0.667,778 1,793 2,794 1,798 1,814 3,819 2,827 23,833 10,834 3,835 1,837 1,847 2,852 1,854 10.833,855 8.533,856 5.278,857 3.393,858 1.356,859 1.199,860 0.967,861 6.592,862 8.175,863 3.401,864 3.795,865 4.186,866 4.573,867 4.962,868 4.87,869 4.974,870 5.123,871 5.233,872 5.349,873 0.875,874 32,875 8.556,877 3.486,878 7.384,879 17.192,881 14.083,883 1.884,884 43.333,885 0.001,888 294.278,889 71.434,890 70.818,892 11,895 71.434,896 305.277,897 70.818,899 23.201,900 91.937,902 36.214,903 1.899,904 294.278,906 294.278,907 142.252,908 11,911 223.651,912 81.626,915 94.019,916 48.233,919 294.278,920 81.818,921 71.434,924 294.278,925 33.529,926 37.905,927 54.032,928 27.785,929 294.278,930 81.818,931 71.434,933 0.548,934 0.308,935 0.169,936 0.091,937 13,938 4,939 0.132,940 7,941 1,942 1.118,943 3.828,944 164.927,945 0.118,946 17,947 104.042,951 16.593,952 9.138,953 5.396,955 81.818,956 8.426,961 2.416,963 54.032,964 447.529,965 29,973 4.406,974 0.958,975 50.338,976 58.185,977 0.248,978 0.547,979 0.765,980 0.896,981 0.924,982 0.931,983 4.59,984 1.129,985 5.416,986 3.011,987 4.143,988 4.477,989 1.778,990 6.075,991 4.043,992 5.671,993 1,994 6.864,995 2.445,996 3.219,997 3.829,998 0.623,999 6.629,1000 3.043,1001 6.893,1002 0.926,1003 8.414,1004 2.136,1005 5.572,1006 6.384,1007 1.751,1008 9.733,1009 5.367,1010 8.149,1011 0.361,1012 10.032,1013 2.025,1014 5.565,1015 6.675,1016 1.178,1017 11.237,1018 5.275,1019 9.446,1020 -0.076,1021 11.696,1022 0.802,1023 7.258,1024 8.631,1025 1.914,1026 13.763,1027 6.951,1028 10.771,1029 -0.182,1030 13.395,1031 -0.173,1032 7.739,1033 9.388,1034 1.663,1035 15.661,1036 7.359,1037 12.117,1038 -0.443,1039 15.117,1040 -0.466,1041 9.102,1042 11.066,1043 2.184,1044 17.984,1045 8.702,1046 2.9,1047 -0.836,1048 16.857,1049 -0.985,1050 9.85,1051 12.068,1052 2.128,1053 20.055,1054 9.39,1055 2.522,1056 9.181,1057 18.61,1058 -1.815,1059 11.047,1060 13.601,1061 2.527,1062 22.305,1063 10.565,1064 2.361,1065 6.965,1066 20.374,1067 3.809,1068 11.939,1069 14.739,1070 2.589,1071 24.453,1072 11.407,1073 1.76,1074 6.812,1075 22.146,1076 3.091,1077 13.056,1078 16.192,1079 2.917,1080 26.679,1081 12.497,1082 1.685,1083 4.365,1084 23.925,1085 2.468,1086 14.024,1087 17.408,1088 3.051,1089 28.862,1090 13.422,1091 1.495,1092 3.586,1093 25.709,1094 2.104,1095 15.104,1096 18.815,1097 3.338,1098 31.08,1099 14.474,1100 1.414,1101 3.127,1102 27.499,1103 1.99,1104 16.113,1105 20.078,1106 3.513,1107 33.28,1108 15.444,1109 6652,1110 9383,1111 17.564,1112 31.614,1113 35.261,1114 35.416,1115 35.44,1116 35.129,1117 35.107,1118 40.777,1119 6.093,1120 88.908,1121 33.379,1122 5.196,1123 5.23,1124 5.997,1125 4.928,1126 4.9,1127 6.809,1128 2.232,1129 15.397,1130 4.786,1132 1.41,1133 1.417,1134 1.418,1135 1.405,1136 1.404,1137 1.631,1138 0.244,1139 3.556,1140 1.335,1141 3.978,1142 4.009,1143 3.906,1144 3.892,1145 4.853,1146 3.89,1147 3.827,1148 3.903,1149 3.725,1150 3.622,1151 4.75,1152 3.634,1153 3.69,1154 3.761,1155 3.555,1156 3.534,1157 4.399,1158 3.529,1159 3.562,1160 3.629,1161 3.399,1162 3.42,1163 4.195,1164 3.405,1165 3.343,1166 3.429,1167 3.168,1168 3.154,1169 3.949,1170 3.146,1171 3.13,1172 3.214,1173 2.97,1174 2.9,1175 3.924,1176 2.908,1177 2.924,1178 3.043,1179 2.753,1180 2.716,1181 3.739,1182 2.715,1183 2.903,1184 2.995,1185 2.713,1186 2.714,1187 3.569,1188 2.703,1189 0.169,1190 0.129,1191 0.247,1192 0.154,1193 0.116,1194 4.216,1195 0.152,1196 3.23,1197 0.051,1198 6.171,1199 0.367,1200 3.859,1201 0.111,1202 2.9,1203 3.809,1204 1.263,1205 9.181,1206 2.786,1207 1.906,1208 1.883,1209 2.034,1210 1.999,1211 1.338,1212 2.006,1213 1.763,1214 1.693,1215 1.976,1216 1.991,1217 1.236,1218 1.993,1219 1.717,1220 1.655,1221 1.938,1222 1.923,1223 1.202,1224 1.934,1225 1.595,1226 1.524,1227 1.859,1228 1.79,1229 1.126,1230 1.818,1231 1.327,1232 1.253,1233 1.609,1234 1.561,1235 0.835,1236 1.583,1237 1.104,1238 1.019,1239 1.394,1240 1.369,1241 0.585,1242 1.386,1243 0.905,1244 0.817,1245 1.285,1246 1.223,1247 0.492,1248 1.251,1249 0.899,1250 0.803,1251 1.228,1252 1.164,1253 0.434,1254 1.189,1255 3.932,1257 5.165,1259 6.583,1260 2.708,1261 8.088,1262 5.198,1263 9.637,1271 10.533,1272 10.153,1273 6.151,1275 0.288,1280 29.122,1281 71.629,1282 158.3,1283 221.294,1284 259.294,1285 267.294,1286 269.294,1287 31.393,1288 6.819,1289 57.68,1290 57.68,1291 19,1292 11.844,1293 3,1294 2.322,1295 37.327,1296 99,1297 87,1298 0.179,1299 180.716,1300 314.21,1301 432.708,1302 9273,1304 15.744,1305 0.685,1306 0.601,1307 15.744,1308 13.813,1309 11.416,1310 0.457,1311 0.356,1312 8.779,1313 11.012,1314 8.654,1315 7.157,1316 11.416,1317 8.891,1318 9.333,1319 0.301,1320 0.201,1321 9.333,1322 6.235,1323 7.589,1324 0.2,1325 0.114,1326 7.589,1327 4.33,1328 6.147,1329 0.134,1330 0.067,1331 6.147,1332 3.062,1333 4.937,1334 0.09,1335 0.039,1336 4.937,1337 2.165,1338 0.295,1339 71.174,1340 0.239,1341 23.525,1342 0.451,1343 112,1344 264.379,1345 122.924,1346 252.943,1347 352.57,1348 242,1349 125,1350 259.983,1351 135.869,1352 259,1353 377.4,1354 247,1355 6} {0 CHEMBL93868,1 1.577,2 8.391,3 3.876,4 15.02,5 93.758,6 7.639,7 0.64,8 3.846,9 3.95,10 3.622,11 3.463,12 4.856,13 3.396,14 4.395,15 4.565,16 3.914,17 3.855,18 5.605,19 3.773,20 4.6,21 4.772,22 4.003,23 4.018,24 5.7,25 3.894,26 4.773,27 4.995,28 3.973,29 3.992,30 5.898,31 3.875,32 4.641,33 4.847,34 3.847,35 3.91,36 5.785,37 3.805,38 4.589,39 4.774,40 3.704,41 3.881,42 5.717,43 3.773,44 4.589,45 4.824,46 3.53,47 3.818,48 5.563,49 3.655,50 4.444,51 4.687,52 3.217,53 3.653,54 5.378,55 3.445,56 0.07,57 0.63,58 11.754,59 4.41,60 13.515,61 5.388,62 0.331,63 1.031,64 18.665,65 7.024,66 42.942,67 8.908,68 0.091,69 1.229,70 25.708,71 10.171,72 25.84,73 12.111,74 0.284,75 1.355,76 32.27,77 11.175,78 55.908,79 13.444,80 0.291,81 1.208,82 28.917,83 9.945,84 52.834,85 11.742,86 0.27,87 1.131,88 24.726,89 8.977,90 55.697,91 11.073,92 0.347,93 1.133,94 23.419,95 8.717,96 43.041,97 11.616,98 0.105,99 0.977,100 24.513,101 9.164,102 28.693,103 11.549,104 20,105 36,106 0.273,107 0.54,108 0.675,109 0.773,110 0.812,111 0.812,112 3.19,113 1.078,114 -3.93,115 -3.89,116 -3.69,119 41.9,121 1,124 2,125 1,140 9,141 2,142 1,149 1,150 1,169 10,171 3,172 4,178 10,182 10,189 7,193 14,199 3,202 1,203 10,211 7,215 4,222 12,225 2,226 1,233 11,237 2,244 5,249 2,256 1,259 722,260 15.239,261 15.239,262 15.239,263 15.239,264 15.239,265 13.151,266 9.653,267 9.039,268 15.546,269 12.351,270 12.351,271 12.351,272 12.351,273 12.351,274 9.155,275 7.652,276 4.293,277 12.861,278 3.849,279 2.302,280 1.527,281 0.956,282 0.733,283 0.733,284 3.865,287 1,288 1,289 1,290 406,291 3.674,294 47.373,295 127.599,298 89.476,302 1.312,303 24.052,304 1,305 1,306 1,307 1,308 1,309 0.8,310 0.5,311 1,312 1,313 0.9,314 49,315 193,316 5.034,317 4.721,318 7.742,319 4.515,320 3.582,321 4.99,322 0.8,323 14.03,324 3.336,325 4.471,326 3.204,327 6.638,328 3.969,329 3,330 4.354,332 10.523,333 2.888,334 3.607,335 2.594,336 5.636,337 3.209,338 2.266,339 3.112,341 6.827,342 2.152,343 3.439,344 2.252,345 5.107,346 3.083,347 2.106,348 2.774,350 5.702,351 2.053,352 3.152,353 2.045,354 4.633,355 2.899,356 1.928,357 2.426,359 5.017,360 1.855,361 3.132,362 1.727,363 4.428,364 2.582,365 1.613,366 2.181,368 4.198,369 1.555,370 2.71,371 1.29,372 3.739,373 2.223,374 1.232,375 1.8,377 2.814,378 1.219,379 2.64,380 1.208,381 3.593,382 2.138,383 1.143,384 1.682,386 2.734,387 1.136,388 2.5,389 1,390 3.464,391 2,392 1,393 1.5,395 2.136,396 1,397 2.274,398 0.888,399 3.247,400 1.802,401 0.831,402 1.158,404 2.13,405 0.805,406 1.574,407 0.481,408 2.943,409 1.367,410 0.39,411 0.455,413 0.897,414 0.38,415 1,416 0.057,417 2.733,418 0.287,419 -0.68,420 -0.827,422 -1.633,423 -0.653,424 0.737,425 -0.417,426 2.48,427 0.233,428 -0.726,429 -1,431 -1.758,432 -0.676,433 0.692,434 -0.6,435 2.256,436 0.198,437 -0.797,438 -1.005,440 -2,441 -0.794,442 0.691,443 -0.795,444 2,446 -1,447 -1.176,449 -2.036,450 -0.9,451 11.3,452 0.491,453 0.674,454 0.029,455 31.25,456 1.359,457 17,458 0.739,459 14.25,460 0.62,461 16.766,462 0.729,463 24.7,464 0.574,465 23.392,466 1.017,467 6.161,468 0.268,469 4.837,470 0.21,471 0.147,472 0.074,473 0.248,479 0.461,480 1.414,481 0.843,482 1.266,483 0.644,484 1.001,485 0.743,486 0.863,487 0.82,488 0.757,489 0.557,490 0.8,491 0.877,492 1.243,493 1.143,494 1.246,495 0.783,496 1.103,497 1.391,498 0.967,499 1.012,500 0.949,501 1.375,502 0.858,503 1.419,504 0.917,505 1.186,506 1.03,507 1.396,508 0.891,509 1.493,510 1.113,511 1.163,512 1.099,513 1.627,514 1.115,515 0.977,516 0.891,517 0.941,518 0.868,519 0.986,520 1.081,521 0.559,522 1.257,523 1.343,524 1.447,525 0.504,526 1.301,527 5,528 0.037,529 3.333,530 2.257,531 1.486,532 0.928,533 0.588,534 0.275,535 0.155,536 0.066,537 4896,538 12261,539 2.031,540 46.5,542 17,543 1,547 2,550 1.665,551 1.878,552 3.058,553 -0.772,555 1,557 1,559 67.832,560 1.577,561 3.125,562 3.9,563 4.47,564 4.693,565 4.693,566 2.533,567 3.969,568 4.49,569 3.191,570 807.298,571 7.773,572 8884.92,574 1,576 1,577 233.329,578 1.631,579 4.433,580 0.2,581 0.007,582 0.093,583 0.061,584 0.041,585 0.027,586 0.02,587 0.012,588 0.009,589 0.008,590 0.478,591 0.5,592 1,593 1.226,594 105.239,595 0.182,596 -0.25,597 0.251,598 -0.125,599 -0.147,600 -0.006,601 0.262,602 0.267,603 0.131,604 0.207,605 0.248,606 0.132,607 -0.003,608 -0.187,609 -0.014,610 -0.132,611 0.075,612 -0.106,613 -0.089,614 0.019,615 0.077,616 0.067,617 -0.006,618 0.105,619 -0.114,620 0.099,621 -0.063,622 0.017,623 -0.029,624 0.072,625 -0.227,626 -0.136,627 -0.232,628 -0.142,629 -0.215,630 -0.166,631 -0.04,632 0.083,633 -0.123,634 0.002,635 -0.115,636 -0.132,637 0.031,638 -0.314,639 -0.252,640 -0.363,641 0.084,642 -0.264,643 4.497,644 5.952,645 0.652,646 17.974,647 0.997,648 1.118,649 2.703,650 7.308,651 0.684,652 3.258,653 3.611,654 3.892,655 4.174,656 4.419,657 4.5,658 4.605,659 4.654,660 4.543,661 4.477,662 5.113,663 0.637,664 328.47,665 3.258,666 4.812,667 5.673,668 6.578,669 7.474,670 8.39,671 9.301,672 10.225,673 11.143,674 12.07,675 4.7,678 1,683 1,687 2,688 10,693 2,694 1,695 16,714 43,716 18,717 2,718 25,720 45,721 18,722 14,723 3,724 9,730 3,731 4,743 1,745 14,746 4,750 2,753 1,755 2,761 1,764 20,765 3,767 5,768 1,773 2,777 0.667,778 2,788 1,792 1,793 2,796 1,815 1,819 2,821 1,823 2,827 23,830 1,833 2,838 1,847 4.7,850 2,854 12.25,855 8.233,856 5,857 2.442,858 2.984,859 1.433,860 1.002,861 4.356,862 9.873,863 3.584,864 4.259,865 4.888,866 5.524,867 6.081,868 6.412,869 6.803,870 7.134,871 7.253,872 7.559,873 0.833,874 37,875 8.756,877 3.941,878 7.786,879 16.431,881 13.7,883 2.286,884 52.583,887 1,888 235.422,889 131.027,890 3.418,892 44.313,894 5.807,895 125.22,896 279.735,897 3.418,898 16.793,899 4.64,900 100.141,901 44.313,902 10.727,903 13.915,904 223.651,906 235.422,907 128.638,908 44.313,909 5.807,911 211.88,912 67.855,915 8.058,916 120.58,917 5.807,919 235.422,920 47.731,921 131.027,923 5.807,924 235.422,925 14.094,926 114.544,928 44.313,929 235.422,930 47.731,931 131.027,933 0.585,934 0.335,935 0.183,936 0.108,937 18,938 8,939 0.111,940 5,941 1,942 1.133,943 3.382,944 189.078,945 0.133,946 15,947 96.042,950 1,951 15.942,952 6.285,953 3.086,954 1.721,955 47.437,956 17.971,961 1.355,962 1.405,964 414.18,965 35,968 -3.58,970 25.904,975 42.887,976 48.072,977 0.291,978 0.576,979 0.719,980 0.824,981 0.865,982 0.865,983 4.82,984 1.143,985 5.707,986 2.814,987 4.29,988 4.945,989 0.673,990 6.619,991 4.209,992 6.082,993 1,994 7.338,995 2.734,996 4.111,997 5.075,998 0.325,999 7.984,1000 3.921,1001 7.452,1002 0.831,1003 9.098,1004 2.136,1005 6.014,1006 7.362,1007 0.379,1008 11.111,1009 5.817,1010 8.877,1011 0.39,1012 10.942,1013 2.13,1014 6.698,1015 8.373,1016 0.268,1017 13.333,1018 6.38,1019 10.347,1020 -0.68,1021 12.841,1022 0.897,1023 8.148,1024 10.191,1025 0.239,1026 16.091,1027 7.809,1028 11.851,1029 -0.726,1030 14.778,1031 -1.633,1032 9.187,1033 11.554,1034 0.188,1035 18.584,1036 8.738,1037 13.38,1038 -0.797,1039 16.74,1040 -1.758,1041 10.496,1042 13.216,1043 0.156,1044 21.249,1045 10.002,1046 3.582,1047 -1,1048 18.721,1049 -2,1050 11.673,1051 14.717,1052 0.125,1053 23.833,1054 11.085,1055 3,1056 14.03,1057 20.716,1058 -2.036,1059 12.941,1060 16.327,1061 0.102,1062 26.474,1063 12.294,1064 2.266,1065 10.523,1066 22.721,1067 4.99,1068 14.171,1069 17.881,1070 0.082,1071 29.091,1072 13.439,1073 2.106,1074 6.827,1075 24.734,1076 4.354,1077 15.433,1078 19.476,1079 0.066,1080 31.728,1081 14.632,1082 1.928,1083 5.702,1084 26.753,1085 3.112,1086 16.684,1087 21.053,1088 0.054,1089 34.357,1090 15.804,1091 1.613,1092 5.017,1093 28.777,1094 2.774,1095 17.946,1096 22.646,1097 0.043,1098 36.995,1099 16.995,1100 1.232,1101 4.198,1102 30.805,1103 2.426,1104 19.207,1105 24.234,1106 0.035,1107 39.63,1108 18.179,1109 4890,1110 7916,1111 16.296,1112 29.421,1113 38.266,1114 38.57,1115 38.979,1116 38.278,1117 38.181,1118 52.863,1119 1.6,1120 114.013,1121 36.757,1122 5.868,1123 6.721,1124 7.544,1125 5.569,1126 5.582,1127 7.99,1128 1.2,1129 22.49,1130 5.336,1131 11.623,1132 1.531,1133 1.543,1134 1.559,1135 1.531,1136 1.527,1137 2.115,1138 0.064,1139 4.561,1140 1.47,1141 4.232,1142 4.235,1143 4.777,1144 4.186,1145 7.716,1146 4.137,1147 3.933,1148 3.941,1149 3.988,1150 3.905,1151 6.999,1152 3.87,1153 3.659,1154 3.743,1155 3.669,1156 3.525,1157 4.893,1158 3.47,1159 3.592,1160 3.588,1161 3.509,1162 3.469,1163 4.711,1164 3.452,1165 3.34,1166 3.388,1167 3.24,1168 3.197,1169 4.335,1170 3.182,1171 3.012,1172 3.08,1173 2.859,1174 2.84,1175 4.2,1176 2.823,1177 2.874,1178 3.009,1179 2.687,1180 2.735,1181 3.756,1182 2.715,1183 2.854,1184 2.925,1185 2.675,1186 2.729,1187 3.674,1188 2.707,1189 0.201,1190 0.189,1191 0.31,1192 0.181,1193 0.143,1194 5.034,1195 0.2,1196 4.721,1197 0.032,1198 7.742,1199 0.561,1200 4.515,1201 0.133,1202 3.582,1203 4.99,1204 0.8,1205 14.03,1206 3.336,1207 1.999,1208 2.004,1209 2.041,1210 2.073,1211 1.254,1212 2.104,1213 1.912,1214 1.894,1215 1.995,1216 1.983,1217 1.205,1218 2.002,1219 1.695,1220 1.648,1221 1.895,1222 1.884,1223 1.049,1224 1.895,1225 1.521,1226 1.483,1227 1.675,1228 1.718,1229 0.816,1230 1.738,1231 1.302,1232 1.263,1233 1.417,1234 1.477,1235 0.655,1236 1.524,1237 0.978,1238 0.917,1239 1.397,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.821,1245 1.181,1246 1.177,1247 0.381,1248 1.213,1249 0.886,1250 0.807,1251 1.154,1252 1.062,1253 0.218,1254 1.107,1255 3.932,1257 5.273,1258 2.398,1259 6.819,1260 4.844,1261 8.46,1262 7.066,1263 10.156,1265 4.028,1271 1.685,1276 2.095,1280 27.401,1281 67.832,1282 134.361,1283 167.681,1284 192.21,1285 201.82,1286 201.82,1287 43.823,1288 6.889,1289 42.31,1290 50.69,1291 17,1292 12.576,1293 4.248,1294 3.459,1295 36.523,1296 68,1297 74,1298 0.268,1299 173.473,1300 289.79,1301 415.033,1302 7590,1304 16.449,1305 0.715,1306 0.614,1307 16.699,1308 14.123,1309 10.998,1310 0.44,1311 0.359,1312 7.579,1313 9.912,1314 7.186,1315 6.033,1316 11.787,1317 8.983,1318 10.342,1319 0.287,1320 0.213,1321 11.642,1322 7.654,1323 8.282,1324 0.173,1325 0.116,1326 9.596,1327 5.577,1328 6.833,1329 0.107,1330 0.064,1331 8.065,1332 4.079,1333 5.712,1334 0.07,1335 0.038,1336 6.918,1337 3.085,1338 0.402,1339 76.172,1340 0.248,1341 22.062,1342 0.795,1343 122,1344 335.622,1345 170.358,1346 350.386,1347 479,1348 322,1349 145,1350 326.499,1351 203.676,1352 374.037,1353 547.31,1354 348,1355 6.292} {0 CHEMBL94984,1 1.459,2 10.778,3 4.24,4 17.975,5 111.642,6 6.783,7 0.367,8 4.115,9 4.234,10 3.767,11 3.707,12 4.958,13 3.624,14 4.749,15 4.939,16 4.087,17 4.152,18 5.756,19 4.041,20 5.076,21 5.313,22 4.196,23 4.361,24 5.886,25 4.192,26 5.184,27 5.431,28 4.158,29 4.338,30 6.131,31 4.167,32 5.135,33 5.395,34 4.004,35 4.204,36 6.122,37 4.059,38 4.966,39 5.208,40 3.894,41 4.158,42 5.874,43 4.01,44 4.989,45 5.241,46 3.814,47 4.212,48 5.713,49 4.012,50 5.039,51 5.327,52 3.602,53 4.089,54 5.804,55 3.863,56 0.107,57 0.837,58 16.979,59 6.179,60 11.43,61 8.238,62 0.388,63 1.447,64 28.63,65 10.57,66 49.087,67 14.476,68 0.278,69 1.89,70 43.86,71 15.762,72 30.499,73 20.502,74 0.437,75 1.951,76 50.987,77 17.249,78 59.751,79 21.716,80 0.533,81 1.783,82 46.359,83 14.451,84 84.952,85 19.188,86 0.482,87 1.592,88 35.737,89 12.301,90 56.517,91 16.976,92 0.229,93 1.654,94 37.9,95 14.483,96 25.326,97 19.435,98 0.337,99 1.592,100 40.211,101 14.335,102 47.029,103 19.352,104 10,105 43,106 0.24,107 0.478,108 0.664,109 0.783,110 0.842,111 0.854,112 3.34,113 1.171,114 -4.6,115 -4.52,116 -4.25,119 38.6,120 1,121 5,122 1,125 4,127 1,140 7,141 2,142 1,169 13,171 3,172 6,178 15,182 7,189 10,192 1,193 17,199 7,203 10,211 9,214 2,215 5,222 12,226 3,233 12,237 8,244 5,249 5,256 5,259 1134,260 18.256,261 18.256,262 18.256,263 18.256,264 18.256,265 16.729,266 18.849,267 10.714,268 18.564,269 14.805,270 14.805,271 14.805,272 14.805,273 14.805,274 12.458,275 26.966,276 5.054,277 15.327,278 4.374,279 2.929,280 1.801,281 1.075,282 0.715,283 0.645,284 4.035,288 1,289 1,290 637,291 3.391,294 73.583,295 218.393,299 112.941,302 1.654,303 27.543,306 1,307 1,308 1,309 1,310 0.5,311 1,312 1,313 0.93,314 57,315 291,316 4.996,317 4.749,318 7.782,319 4.519,320 3.591,321 4.879,322 0.8,323 14.214,324 3.313,325 4.331,326 3.018,327 6.474,328 3.882,329 2.894,330 4.171,331 0.4,332 9.881,333 2.861,334 3.676,335 2.857,336 5.862,337 3.583,338 2.629,339 2.754,341 7.88,342 2.515,343 3.561,344 2.711,345 5.411,346 3.416,347 2.451,348 2.609,350 7.125,351 2.354,352 3.2,353 2.198,354 5.001,355 3.044,356 2.086,357 2.43,359 5.698,360 1.985,361 3.118,362 1.749,363 4.877,364 2.7,365 1.705,366 2.427,368 5.177,369 1.695,370 3.079,371 1.618,372 4.293,373 2.618,374 1.618,375 2.084,377 3.732,378 1.618,379 2.761,380 1.417,381 3.933,382 2.287,383 1.306,384 1.89,386 3.195,387 1.279,388 2.333,389 1.265,390 3.589,391 2.257,392 1.259,393 1.326,395 2.791,396 1.256,397 2.238,398 1.096,399 3.481,400 1.984,401 1,402 1.122,404 2.275,405 0.983,406 2,407 1.077,408 3.414,409 1.866,410 0.898,411 1,413 2.211,414 0.865,415 1.929,416 0.736,417 3.273,418 1.656,419 0.668,420 0.846,422 1.653,423 0.659,424 1.583,425 0.705,426 3.104,427 1.557,428 0.583,429 0.583,431 1.359,432 0.566,433 1.043,434 0.106,435 2.766,436 0.813,437 -0.173,438 -0.173,440 -0.379,441 -0.17,442 1,443 -0.122,444 2.492,445 0.538,446 -0.438,447 -0.629,449 -1.117,450 -0.421,451 13.3,452 0.493,453 0.704,454 0.026,455 29.75,456 1.102,457 13,458 0.481,459 16.75,460 0.62,461 28.043,462 1.039,463 30.5,464 0.535,465 20.658,466 0.765,467 4.936,468 0.183,469 8.118,470 0.301,471 0.088,472 0.063,473 0.248,479 0.472,480 1.434,481 0.908,482 1.297,483 0.611,484 1.096,485 0.722,486 1.093,487 0.903,488 0.952,489 0.489,490 1.006,491 0.895,492 1.066,493 1.13,494 1.107,495 0.672,496 1.02,497 1.387,498 1.071,499 1.254,500 1.17,501 1.467,502 1,503 1.828,504 0.93,505 1.089,506 0.907,507 1.921,508 0.85,509 1.398,510 0.898,511 0.989,512 0.852,513 1.393,514 0.972,515 0.702,516 1.136,517 1.114,518 1.184,519 0.631,520 1.17,521 1.025,522 1.002,523 1.021,524 1.021,525 1.117,526 1.019,527 5.5,528 0.062,529 4,530 2.188,531 1.806,532 0.83,533 0.512,534 0.339,535 0.225,536 0.182,537 8835,538 17070,539 2.11,540 52.6,541 4,542 16,547 8,548 2,550 1.702,551 1.988,552 3.363,553 -0.806,555 1,559 83.161,560 1.459,561 2.904,562 4.032,563 4.758,564 5.118,565 5.188,566 2.89,567 4.357,568 4.725,569 3.523,570 1236.42,571 8.21,572 15517.5,574 1,576 1,577 332.475,578 1.481,579 4.685,580 0.183,581 0.003,582 0.093,583 0.05,584 0.043,585 0.022,586 0.015,587 0.011,588 0.009,589 0.009,590 0.438,591 0.33,592 1,593 0.528,594 132.867,595 0.191,596 -0.18,597 0.241,598 -0.07,599 -0.104,600 0.022,601 0.26,602 0.064,603 0.072,604 0.06,605 0.265,606 0.004,607 -0.018,608 0.01,609 0.024,610 -0.005,611 0.055,612 -0.005,613 -0.027,614 -0.067,615 -0.029,616 -0.07,617 0.005,618 -0.015,619 -0.161,620 0.029,621 -0.01,622 0.057,623 -0.086,624 0.081,625 -0.083,626 0.118,627 -0.079,628 0.055,629 -0.092,630 -0.024,631 -0.03,632 -0.135,633 -0.129,634 -0.157,635 -0.017,636 -0.154,637 -0.051,638 -0.095,639 -0.061,640 -0.068,641 -0.067,642 -0.053,643 4.378,644 6.465,645 0.778,646 23.704,647 0.988,648 1.125,649 3.366,650 11.331,651 0.653,652 3.434,653 3.784,654 4.078,655 4.344,656 4.533,657 4.533,658 4.635,659 4.727,660 4.804,661 4.812,662 6.214,663 0.597,664 386.61,665 3.434,666 4.99,667 5.855,668 6.751,669 7.636,670 8.538,671 9.432,672 10.338,673 11.238,674 12.147,675 3.5,678 2,687 2,688 7,693 1,695 11,714 57,716 13,717 2,718 30,720 60,721 22,722 10,723 3,724 7,730 4,731 5,736 1,740 5,741 1,743 6,745 10,746 12,747 1,750 2,753 1,755 2,761 1,764 30,765 4,767 5,768 1,773 2,777 0.75,778 2,789 1,792 1,793 3,797 1,815 1,819 3,821 1,823 1,827 27,830 1,833 9,837 2,838 2,847 3.5,850 2,854 13.583,855 10.15,856 5.833,857 3.861,858 2.295,859 1.305,860 0.988,861 5.543,862 9.826,863 3.651,864 4.241,865 4.775,866 5.341,867 5.866,868 6.09,869 6.489,870 6.786,871 7.066,872 6.942,873 1,874 44,875 10.351,877 4.71,878 7.577,879 20.276,881 17.924,883 2.077,884 56.083,886 1,887 1,888 353.133,889 108.759,890 4.643,892 44.313,894 5.807,895 102.951,896 397.446,897 4.643,898 8.825,899 21.095,900 72.141,901 44.313,902 11.34,904 353.133,906 353.133,907 107.594,908 44.313,909 5.807,911 235.422,912 162.024,915 34.564,916 73.03,917 5.807,919 353.133,920 48.956,921 108.759,923 5.807,924 353.133,925 27.792,926 79.802,928 44.313,929 353.133,930 48.956,931 108.759,933 0.588,934 0.35,935 0.19,936 0.101,937 22,938 9,939 0.083,940 5,941 1,942 1.095,943 3.847,944 238.103,945 0.095,946 21,947 120.382,950 1,951 18.925,952 7.908,953 3.916,954 1.812,955 48.956,956 13.369,961 0.458,964 510.847,965 37.5,968 -3.461,970 26.931,975 56.305,976 64.148,977 0.25,978 0.498,979 0.691,980 0.816,981 0.877,982 0.889,983 4.918,984 1.306,985 5.872,986 3.732,987 4.466,988 4.927,989 0.824,990 6.758,991 4.393,992 6.127,993 1.259,994 7.484,995 3.195,996 4.205,997 5.017,998 0.325,999 8.055,1000 4.033,1001 7.475,1002 1,1003 9.222,1004 2.791,1005 6.163,1006 7.237,1007 0.413,1008 11.182,1009 5.981,1010 8.874,1011 0.898,1012 11.043,1013 2.275,1014 6.781,1015 8.231,1016 0.268,1017 13.378,1018 6.477,1019 10.321,1020 0.668,1021 12.922,1022 2.211,1023 8.245,1024 10.006,1025 0.246,1026 16.143,1027 7.915,1028 11.803,1029 0.583,1030 14.843,1031 1.653,1032 9.24,1033 11.354,1034 0.188,1035 18.641,1036 8.791,1037 13.312,1038 -0.173,1039 16.793,1040 1.359,1041 10.548,1042 12.989,1043 0.157,1044 21.321,1045 10.047,1046 3.591,1047 -0.438,1048 18.767,1049 -0.379,1050 11.702,1051 14.47,1052 0.125,1053 23.919,1054 11.092,1055 2.894,1056 14.214,1057 20.758,1058 -1.117,1059 12.968,1060 16.059,1061 0.102,1062 26.579,1063 12.288,1064 2.629,1065 9.881,1066 22.761,1067 4.879,1068 14.189,1069 17.593,1070 0.082,1071 29.212,1072 13.408,1073 2.451,1074 7.88,1075 24.775,1076 4.171,1077 15.45,1078 19.169,1079 0.067,1080 31.867,1081 14.588,1082 2.086,1083 7.125,1084 26.797,1085 2.754,1086 16.699,1087 20.725,1088 0.054,1089 34.512,1090 15.742,1091 1.705,1092 5.698,1093 28.825,1094 2.609,1095 17.963,1096 22.298,1097 0.043,1098 37.166,1099 16.921,1100 1.618,1101 5.177,1102 30.858,1103 2.43,1104 19.226,1105 23.865,1106 0.035,1107 39.817,1108 18.092,1109 8355,1110 11863,1111 20.167,1112 37.228,1113 45.108,1114 46.103,1115 46.454,1116 45.432,1117 45.375,1118 56.239,1119 2.4,1120 134.382,1121 43.899,1122 5.996,1123 6.749,1124 7.471,1125 5.594,1126 5.591,1127 7.879,1128 1.2,1129 22.808,1130 5.313,1131 11.193,1132 1.504,1133 1.537,1134 1.548,1135 1.514,1136 1.513,1137 1.875,1138 0.08,1139 4.479,1140 1.463,1141 4.179,1142 4.175,1143 4.75,1144 4.164,1145 7.715,1146 4.11,1147 3.931,1148 3.982,1149 3.944,1150 3.831,1151 6.999,1152 3.801,1153 3.858,1154 3.905,1155 3.769,1156 3.734,1157 4.877,1158 3.711,1159 3.616,1160 3.614,1161 3.602,1162 3.544,1163 4.388,1164 3.489,1165 3.421,1166 3.499,1167 3.312,1168 3.309,1169 4.318,1170 3.279,1171 3.376,1172 3.402,1173 3.232,1174 3.237,1175 4.241,1176 3.216,1177 3.119,1178 3.22,1179 2.878,1180 2.941,1181 3.915,1182 2.91,1183 3.111,1184 3.206,1185 2.866,1186 2.922,1187 3.792,1188 2.898,1189 0.167,1190 0.158,1191 0.259,1192 0.151,1193 0.12,1194 4.996,1195 0.163,1196 4.749,1197 0.027,1198 7.782,1199 0.474,1200 4.519,1201 0.11,1202 3.591,1203 4.879,1204 0.8,1205 14.214,1206 3.313,1207 2.1,1208 2.098,1209 2.144,1210 2.143,1211 1.452,1212 2.168,1213 1.869,1214 1.809,1215 2.084,1216 2.044,1217 1.354,1218 2.062,1219 1.708,1220 1.699,1221 1.912,1222 1.858,1223 1.292,1224 1.889,1225 1.618,1226 1.576,1227 1.781,1228 1.774,1229 1.128,1230 1.815,1231 1.468,1232 1.412,1233 1.658,1234 1.619,1235 0.879,1236 1.656,1237 1.352,1238 1.309,1239 1.582,1240 1.54,1241 0.825,1242 1.569,1243 1.182,1244 1.114,1245 1.513,1246 1.384,1247 0.733,1248 1.436,1249 1.153,1250 1.064,1251 1.399,1252 1.376,1253 0.641,1254 1.429,1255 4.111,1257 5.451,1258 2.398,1259 6.997,1260 4.595,1261 8.638,1262 6.605,1263 10.331,1265 2.326,1271 9.393,1275 0.962,1276 4.294,1280 34.035,1281 83.161,1282 165.52,1283 229.83,1284 271.191,1285 291.72,1286 295.72,1287 54.962,1288 7.532,1289 40.62,1290 49,1291 23,1292 12.665,1293 3.807,1294 3.087,1295 40.174,1296 98,1297 119,1298 0.197,1299 210.303,1300 362.81,1301 504.9,1302 20442,1304 18.855,1305 0.698,1306 0.629,1307 19.105,1308 16.996,1309 13.054,1310 0.435,1311 0.39,1312 10.316,1313 11.992,1314 9.943,1315 8.218,1316 13.842,1317 11.715,1318 12.068,1319 0.281,1320 0.234,1321 13.349,1322 10.061,1323 10.226,1324 0.176,1325 0.144,1326 11.551,1327 8.324,1328 8.567,1329 0.113,1330 0.086,1331 9.951,1332 6.518,1333 6.812,1334 0.074,1335 0.053,1336 8.036,1337 4.835,1338 0.306,1339 88.336,1340 0.223,1341 25.764,1342 0.551,1343 146,1344 337.622,1345 195.024,1346 349.88,1347 483.11,1348 324,1349 174,1350 331.499,1351 234.679,1352 374.429,1353 553.41,1354 353,1355 6.2} {0 CHEMBL95104,1 1.647,2 14.758,3 4.725,4 22.321,5 132.378,6 7.748,7 0.432,8 4.243,9 4.35,10 3.974,11 3.828,12 5.174,13 3.772,14 4.855,15 5.021,16 4.325,17 4.264,18 5.939,19 4.184,20 5.17,21 5.386,22 4.363,23 4.423,24 6.08,25 4.286,26 5.224,27 5.448,28 4.246,29 4.378,30 6.199,31 4.237,32 5.176,33 5.42,34 4.175,35 4.316,36 6.133,37 4.171,38 5.147,39 5.392,40 4.126,41 4.32,42 6.045,43 4.176,44 5.154,45 5.413,46 4.066,47 4.316,48 5.924,49 4.137,50 5.111,51 5.374,52 3.946,53 4.218,54 5.957,55 4.035,56 0.074,57 0.931,58 16.123,59 6.448,60 14.475,61 8.103,62 0.362,63 1.582,64 28.838,65 11.118,66 53.241,67 14.361,68 0.425,69 1.992,70 50.008,71 16.712,72 54.23,73 20.569,74 0.674,75 1.994,76 54.601,77 17.443,78 81.848,79 21.295,80 0.716,81 1.919,82 48.138,83 16.057,84 92.787,85 20.791,86 0.499,87 1.914,88 43.394,89 15.267,90 65.839,91 20.426,92 0.417,93 1.907,94 47.888,95 16.168,96 51.912,97 21.389,98 0.576,99 1.72,100 49.824,101 15.42,102 67.922,103 20.104,104 10,105 53,106 0.263,107 0.547,108 0.716,109 0.839,110 0.852,111 0.852,112 3.531,113 1.098,114 -4.26,115 -4.2,116 -3.96,119 39.7,121 5,125 4,127 2,140 8,141 1,142 3,149 1,150 1,169 6,171 3,172 10,176 3,178 10,182 8,186 1,189 8,192 2,193 10,197 1,199 6,203 5,206 3,211 10,214 2,215 8,222 5,226 4,231 3,233 7,236 1,237 6,244 5,249 3,252 1,256 6,259 2013,260 22.374,261 22.374,262 22.374,263 22.374,264 22.374,265 20.221,266 26.92,267 13.035,268 23.014,269 18.267,270 18.267,271 18.267,272 18.267,273 18.267,274 15,275 39.156,276 6.202,277 19.398,278 4.33,279 2.549,280 1.492,281 0.722,282 0.635,283 0.635,284 4.238,285 1,289 1,290 1084,291 3.674,294 186.819,295 326.109,298 146.496,302 2.264,303 36.475,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 70.833,315 487,316 4.954,317 4.731,318 7.725,319 4.481,320 3.555,321 4.791,322 0.86,323 13.92,324 3.272,325 4.372,326 3.115,327 6.216,328 3.872,329 2.892,330 4.279,331 0.8,332 9.239,333 2.833,334 4.032,335 2.985,336 5.994,337 3.677,338 2.746,339 3.62,340 0.4,341 8.218,342 2.548,343 3.701,344 2.899,345 5.629,346 3.529,347 2.586,348 2.798,350 7.815,351 2.428,352 3.615,353 2.829,354 5.36,355 3.431,356 2.489,357 2.766,359 7.001,360 2.331,361 3.409,362 2.721,363 5.086,364 3.112,365 2.22,366 2.56,368 6.221,369 1.97,370 3.181,371 2.19,372 4.94,373 2.815,374 1.897,375 2.389,377 5.388,378 1.685,379 3.045,380 1.755,381 4.781,382 2.682,383 1.693,384 2.301,386 5.083,387 1.643,388 3.034,389 1.534,390 4.375,391 2.509,392 1.534,393 2.076,395 4.181,396 1.493,397 2.554,398 1.398,399 3.996,400 2.277,401 1.299,402 1.577,404 3.166,405 1.268,406 2.5,407 1.136,408 3.491,409 2.033,410 1.067,411 1.5,413 2.408,414 1.028,415 2.326,416 1.077,417 3.417,418 2,419 1,420 1.317,422 2.275,423 1,424 2,425 1,426 3.414,427 1.984,428 1,429 1,431 2.275,432 0.983,433 1.949,434 0.929,435 3.414,436 1.773,437 0.809,438 0.886,440 2.071,441 0.777,442 1.888,443 0.866,444 3.165,445 1.569,446 0.611,447 0.619,449 1.453,450 0.581,451 16.248,452 0.492,453 0.858,454 0.026,455 39,456 1.182,457 17.5,458 0.53,459 21.5,460 0.652,461 33.287,462 1.009,463 36.552,464 0.58,465 28.404,466 0.861,467 6.967,468 0.211,469 9.019,470 0.273,471 0.085,472 0.051,473 0.265,479 0.601,480 1.416,481 0.732,482 1.191,483 0.614,484 0.99,485 0.832,486 1.166,487 0.782,488 0.947,489 0.526,490 0.98,491 1.152,492 1.059,493 1.114,494 1.101,495 0.761,496 1.013,497 1.378,498 1.009,499 1.146,500 1.115,501 1.579,502 1.025,503 1.014,504 0.953,505 0.822,506 0.935,507 1.525,508 0.949,509 0.874,510 1.038,511 0.783,512 0.93,513 0.977,514 0.997,515 0.837,516 1.046,517 0.949,518 1.018,519 0.775,520 1.034,521 1.091,522 0.901,523 1.133,524 0.991,525 1.189,526 1.007,527 7.5,528 0.179,529 4.444,530 2.132,531 1.943,532 0.903,533 0.753,534 0.55,535 0.189,536 0.193,537 18329,538 48090,539 2.142,540 47.6,542 18,543 1,545 1,547 4,548 6,550 1.747,551 2.031,552 3.804,553 -0.352,559 103.756,560 1.647,561 3.428,562 4.486,563 5.255,564 5.342,565 5.342,566 3.294,567 4.537,568 5.014,569 3.999,570 2111.37,571 8.75,572 32918.3,577 376.569,578 1.416,579 4.983,580 0.203,581 0.007,582 0.084,583 0.042,584 0.042,585 0.021,586 0.018,587 0.014,588 0.006,589 0.007,590 0.444,591 0.17,592 0.75,593 0.467,594 178.483,595 0.084,596 -0.187,597 0.155,598 -0.081,599 -0.092,600 0.017,601 0.112,602 -0.021,603 0.04,604 0.013,605 0.235,606 -0.03,607 -0.119,608 -0.011,609 -0.061,610 -0.034,611 0.044,612 -0.03,613 -0.125,614 -0.022,615 -0.12,616 -0.067,617 -0.112,618 -0.054,619 0.042,620 0.012,621 0.028,622 0.024,623 -0.079,624 0.018,625 -0.002,626 -0.045,627 -0.007,628 -0.016,629 -0.006,630 -0.033,631 -0.059,632 -0.064,633 -0.04,634 -0.045,635 -0.033,636 -0.044,637 -0.095,638 0.038,639 -0.102,640 -0.019,641 -0.106,642 -0.023,643 4.408,644 6.373,645 0.788,646 40.303,647 1.001,648 1.124,649 3.027,650 9.165,651 0.675,652 3.638,653 3.989,654 4.263,655 4.5,656 4.673,657 4.727,658 4.86,659 4.963,660 4.977,661 5.094,662 8.424,663 0.629,664 488.1,665 3.638,666 5.198,667 6.057,668 6.942,669 7.816,670 8.704,671 9.584,672 10.475,673 11.36,674 12.254,675 4.8,678 2,683 1,687 2,688 9,690 1,693 3,695 16,712 1,713 1,714 63,716 18,717 2,718 37,720 67,721 25,722 14,723 5,724 7,730 5,731 6,732 1,740 6,743 7,745 14,746 11,750 2,753 1,755 2,764 30,765 5,766 1,767 8,768 2,773 3,777 0.8,778 3,788 1,789 1,792 2,793 3,796 1,815 1,819 4,821 1,824 1,827 33,830 1,833 9,835 1,837 2,838 2,846 1,847 4.8,850 2,852 1,854 16.25,855 10.876,856 7.056,857 4.05,858 2.762,859 1.335,860 1.009,861 6.888,862 10.996,863 3.871,864 4.474,865 4.991,866 5.503,867 5.959,868 6.227,869 6.587,870 6.837,871 6.716,872 6.871,873 0.9,874 51,875 12.539,877 5.695,878 7.668,879 24.192,881 21.146,883 2.168,884 71.528,888 341.362,889 126.772,890 21.428,891 39.149,892 55.313,894 5.807,895 120.965,896 435.823,897 21.428,899 21.095,900 90.665,901 44.313,902 45.296,903 13.915,904 329.591,905 39.149,906 341.362,907 142.393,908 55.313,909 44.956,911 223.651,912 173.024,915 42.524,916 99.869,917 44.956,919 341.362,920 76.741,921 165.921,923 5.807,924 341.362,925 36.107,926 89.5,927 16.786,928 94.461,929 341.362,930 76.741,931 165.921,933 0.591,934 0.345,935 0.179,936 0.093,937 27,938 11,939 0.104,940 7,941 1,942 1.077,943 4.55,944 305.03,945 0.077,946 26,947 156.465,950 1,951 23.035,952 9.867,953 5.191,954 1.88,955 59.956,956 16.678,958 3.117,961 1.955,963 16.786,964 584.024,965 47,968 -3.491,970 26.746,975 63.058,976 70.8,977 0.276,978 0.574,979 0.75,980 0.879,981 0.894,982 0.894,983 5.136,984 1.693,985 6.066,986 5.388,987 4.673,988 5.162,989 1.324,990 6.915,991 4.556,992 6.346,993 1.534,994 7.655,995 5.083,996 4.369,997 5.182,998 0.325,999 8.106,1000 4.124,1001 7.682,1002 1.299,1003 9.361,1004 4.181,1005 6.34,1006 7.435,1007 0.958,1008 11.191,1009 6.094,1010 9.064,1011 1.067,1012 11.146,1013 3.166,1014 6.899,1015 8.344,1016 0.268,1017 13.315,1018 6.525,1019 10.489,1020 1,1021 12.988,1022 2.408,1023 8.358,1024 10.122,1025 0.736,1026 16.04,1027 7.966,1028 11.946,1029 1,1030 14.874,1031 2.275,1032 9.298,1033 11.399,1034 0.188,1035 18.503,1036 8.788,1037 13.428,1038 0.809,1039 16.794,1040 2.275,1041 10.591,1042 13.021,1043 0.57,1044 21.154,1045 10.036,1046 3.555,1047 0.611,1048 18.741,1049 2.071,1050 11.704,1051 14.452,1052 0.125,1053 23.73,1054 11.042,1055 2.892,1056 13.92,1057 20.709,1058 1.453,1059 12.95,1060 16.021,1061 0.439,1062 26.366,1063 12.223,1064 2.746,1065 9.239,1066 22.694,1067 4.791,1068 14.141,1069 17.517,1070 0.082,1071 28.979,1072 13.314,1073 2.586,1074 8.218,1075 24.693,1076 4.279,1077 15.382,1078 19.069,1079 0.334,1080 31.613,1081 14.477,1082 2.489,1083 7.815,1084 26.702,1085 3.62,1086 16.61,1087 20.594,1088 0.054,1089 34.239,1090 15.609,1091 2.22,1092 7.001,1093 28.719,1094 2.798,1095 17.857,1096 22.143,1097 0.252,1098 36.872,1099 16.771,1100 1.897,1101 6.221,1102 30.742,1103 2.766,1104 19.102,1105 23.682,1106 0.035,1107 39.502,1108 17.925,1109 16829,1110 27446,1111 25.137,1112 42.546,1113 55.934,1114 56.985,1115 56.465,1116 56.248,1117 56.015,1118 70.604,1119 4.12,1120 164.412,1121 52.79,1122 5.954,1123 6.731,1124 7.234,1125 5.573,1126 5.555,1127 7.791,1128 1.72,1129 22.236,1130 5.272,1131 13.337,1132 1.512,1133 1.54,1134 1.526,1135 1.52,1136 1.514,1137 1.908,1138 0.111,1139 4.444,1140 1.427,1141 4.183,1142 4.194,1143 4.747,1144 4.141,1145 7.715,1146 4.093,1147 3.965,1148 4.007,1149 4.01,1150 3.854,1151 6.999,1152 3.846,1153 3.92,1154 3.941,1155 3.99,1156 3.837,1157 4.985,1158 3.806,1159 3.804,1160 3.848,1161 3.756,1162 3.679,1163 4.959,1164 3.664,1165 3.637,1166 3.64,1167 3.604,1168 3.545,1169 4.608,1170 3.497,1171 3.374,1172 3.447,1173 3.353,1174 3.206,1175 4.333,1176 3.192,1177 3.203,1178 3.239,1179 3.165,1180 3.059,1181 4.237,1182 3.032,1183 3.111,1184 3.206,1185 3.146,1186 2.941,1187 4.193,1188 2.91,1189 0.134,1190 0.128,1191 0.209,1192 0.121,1193 0.096,1194 4.954,1195 0.129,1196 4.731,1197 0.023,1198 7.725,1199 0.376,1200 4.481,1201 0.088,1202 3.555,1203 4.791,1204 0.86,1205 13.92,1206 3.272,1207 1.991,1208 1.997,1209 2.051,1210 2.063,1211 1.417,1212 2.089,1213 1.887,1214 1.863,1215 2.002,1216 2.037,1217 1.302,1218 2.046,1219 1.808,1220 1.755,1221 1.946,1222 1.93,1223 1.236,1224 1.943,1225 1.663,1226 1.632,1227 1.889,1228 1.818,1229 1.098,1230 1.844,1231 1.585,1232 1.551,1233 1.765,1234 1.756,1235 1.032,1236 1.787,1237 1.479,1238 1.413,1239 1.657,1240 1.696,1241 0.825,1242 1.692,1243 1.336,1244 1.302,1245 1.513,1246 1.525,1247 0.818,1248 1.562,1249 1.153,1250 1.064,1251 1.456,1252 1.376,1253 0.666,1254 1.429,1255 4.317,1257 5.659,1258 3.045,1259 7.188,1260 5.283,1261 8.8,1262 7.286,1263 10.457,1266 5.949,1271 8.143,1273 6.097,1275 0.283,1276 4.17,1280 39.598,1281 103.756,1282 215.991,1283 282.594,1284 331.059,1285 336.569,1286 336.569,1287 66.044,1288 8.234,1289 65.64,1290 74.02,1291 28,1292 12.782,1293 4.248,1294 3.459,1295 48.214,1296 167,1297 184,1298 0.137,1299 244.956,1300 421.17,1301 589.452,1302 53781,1303 1.6,1304 22.838,1305 0.692,1306 0.612,1307 23.588,1308 20.193,1309 15.986,1310 0.432,1311 0.366,1312 11.748,1313 14.405,1314 11.401,1315 9.32,1316 17.064,1317 13.543,1318 14.906,1319 0.281,1320 0.214,1321 16.614,1322 11.367,1323 12.671,1324 0.181,1325 0.13,1326 14.284,1327 9.086,1328 10.285,1329 0.116,1330 0.078,1331 11.682,1332 6.901,1333 7.995,1334 0.075,1335 0.047,1336 9.346,1337 4.972,1338 0.223,1339 110.378,1340 0.199,1341 31.342,1342 0.356,1343 180,1344 479.893,1345 250.472,1346 510.575,1347 691.31,1348 474,1349 213,1350 462.697,1351 287.586,1352 511.322,1353 751.86,1354 483,1355 7.6} {0 CHEMBL95823,1 1.78,2 11.719,3 5.074,4 25.75,5 132.578,6 8.856,7 0.583,8 4.125,9 4.221,10 3.998,11 3.788,12 5.146,13 3.72,14 4.687,15 4.835,16 4.405,17 4.223,18 5.897,19 4.133,20 4.945,21 5.123,22 4.513,23 4.387,24 5.995,25 4.269,26 5.015,27 5.204,28 4.396,29 4.397,30 6.072,31 4.254,32 5.016,33 5.211,34 4.415,35 4.338,36 6.151,37 4.202,38 4.982,39 5.193,40 4.302,41 4.247,42 6.06,43 4.119,44 4.859,45 5.07,46 4.234,47 4.135,48 6.072,49 4.009,50 4.748,51 4.972,52 4.038,53 4.042,54 5.757,55 3.897,56 0.097,57 0.84,58 11.746,59 5.401,60 16.215,61 6.091,62 0.367,63 1.423,64 24.846,65 9.886,66 54.159,67 11.071,68 0.419,69 1.8,70 35.479,71 13.038,72 38.13,73 14.709,74 0.338,75 1.883,76 45.118,77 16.226,78 40.366,79 17.849,80 0.486,81 1.77,82 41.342,83 15.036,84 76.053,85 16.809,86 0.499,87 1.737,88 44.161,89 13.887,90 67.275,91 15.869,92 0.71,93 1.559,94 33.322,95 11.71,96 83.537,97 13.984,98 0.356,99 1.412,100 34.954,101 11.794,102 47.701,103 13.717,104 26,105 54,106 0.289,107 0.63,108 0.801,109 0.887,110 0.887,111 0.887,112 3.503,113 1.09,114 -3.97,115 -3.92,116 -3.72,119 41.8,120 2,125 3,127 1,140 7,141 3,142 3,143 1,144 1,150 1,151 1,169 6,171 1,172 5,174 2,176 3,178 12,182 8,184 1,186 4,189 12,192 1,193 9,197 2,199 4,203 9,206 2,208 5,211 10,215 2,220 2,222 9,225 4,226 5,229 1,231 2,233 9,237 4,241 1,242 2,244 9,249 4,256 6,259 1652,260 21.281,261 21.281,262 21.281,263 21.281,264 21.281,265 18.549,266 22.29,267 12.146,268 21.971,269 17.78,270 17.78,271 17.78,272 17.78,273 17.78,274 13.54,275 27.647,276 5.791,277 19.02,278 4.002,279 1.9,280 0.849,281 0.318,282 0.318,283 0.318,284 4.207,285 1,289 1,290 831,291 3.536,294 66.911,295 343.219,298 130.813,299 137.633,302 1.691,303 35.472,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.333,315 375,316 4.94,317 4.713,318 7.441,319 4.396,320 3.492,321 4.865,322 0.8,323 13.079,324 3.156,325 4.559,326 3.286,327 6.705,328 4.117,329 3.148,330 4.48,331 0.4,332 10.905,333 3.048,334 4.438,335 3.129,336 6.494,337 3.908,338 2.95,339 4.309,341 10.071,342 2.814,343 3.83,344 2.811,345 5.822,346 3.575,347 2.627,348 3.187,350 8.061,351 2.485,352 3.645,353 2.727,354 5.413,355 3.231,356 2.289,357 3.061,359 6.769,360 2.164,361 3.536,362 2.429,363 5.126,364 3.108,365 2.186,366 2.898,368 6.06,369 1.996,370 3.314,371 2.237,372 5.048,373 3.004,374 2.061,375 2.623,377 5.955,378 1.92,379 3.286,380 1.991,381 4.954,382 2.768,383 1.843,384 2.417,386 5.575,387 1.621,388 2.92,389 1.629,390 4.636,391 2.487,392 1.523,393 2.114,395 4.357,396 1.466,397 2.861,398 1.492,399 4.506,400 2.379,401 1.419,402 2.005,404 4.261,405 1.361,406 2.721,407 1.398,408 3.968,409 2.274,410 1.347,411 1.759,413 3.313,414 1.226,415 2.283,416 1.356,417 3.589,418 2.113,419 1.162,420 1.246,422 2.573,423 1.102,424 2.187,425 0.965,426 3.481,427 1.737,428 0.778,429 1.059,431 1.938,432 0.743,433 2.093,434 0.833,435 3.365,436 1.66,437 0.752,438 1.018,440 1.883,441 0.659,442 1.371,443 0.577,444 3.207,445 1.001,446 0.051,447 0.063,449 0.142,450 0.047,451 16.148,452 0.505,453 1.029,454 0.032,455 42.75,456 1.336,457 22,458 0.688,459 20.75,460 0.648,461 30.581,462 0.956,463 33.652,464 0.612,465 32.62,466 1.019,467 7.774,468 0.243,469 7.54,470 0.236,471 0.147,472 0.052,473 0.334,479 0.571,480 1.234,481 0.693,482 1.003,483 0.652,484 0.85,485 0.701,486 1.008,487 0.67,488 0.747,489 0.492,490 0.784,491 1.003,492 0.98,493 0.929,494 0.936,495 0.857,496 0.916,497 0.917,498 1.129,499 1.163,500 1.25,501 0.818,502 1.074,503 1.239,504 0.994,505 0.828,506 0.923,507 1.504,508 0.986,509 1.254,510 1.042,511 0.915,512 0.96,513 1.363,514 0.978,515 0.717,516 0.922,517 0.793,518 0.904,519 0.826,520 0.98,521 0.919,522 0.953,523 0.948,524 1.017,525 0.954,526 0.924,527 8,528 0.205,529 4.444,530 3.132,531 2.552,532 1.101,533 1.048,534 0.543,535 0.395,536 0.334,537 14235,538 39956,539 2.108,540 41.8,541 3,542 14,544 1,545 2,547 3,550 1.746,551 1.949,552 3.522,553 0.239,559 97.891,560 1.78,561 3.881,562 4.933,563 5.463,564 5.463,565 5.463,566 2.93,567 4.851,568 4.975,569 3.672,570 1821.22,571 8.707,572 25859.7,577 317.975,578 1.617,579 4.916,580 0.222,581 0.007,582 0.082,583 0.056,584 0.048,585 0.022,586 0.023,587 0.013,588 0.011,589 0.01,590 0.495,591 0.33,592 0.75,593 0.575,594 166.597,595 0.067,596 -0.104,597 0.126,598 -0.026,599 -0.145,600 0.043,601 0.169,602 0.088,603 0.144,604 0.174,605 0.28,606 0.114,607 -0.079,608 0.088,609 0.028,610 0.052,611 -0.042,612 0.024,613 -0.039,614 -0.101,615 -0.119,616 -0.153,617 0.072,618 -0.075,619 -0.08,620 -0.041,621 0.062,622 0.04,623 -0.085,624 -0.019,625 -0.128,626 -0.065,627 0.009,628 -0.015,629 -0.133,630 -0.014,631 0.336,632 0.085,633 0.071,634 0.001,635 0.229,636 -0.035,637 -0.006,638 0.033,639 0.026,640 0.013,641 -0.006,642 0.086,643 4.669,644 6.275,645 0.781,646 29.289,647 1.007,648 1.115,649 2.737,650 7.49,651 0.722,652 3.611,653 4.007,654 4.304,655 4.625,656 4.883,657 4.97,658 5.124,659 5.268,660 5.308,661 5.366,662 6.907,663 0.672,664 487.09,665 3.611,666 5.198,667 6.075,668 6.993,669 7.888,670 8.808,671 9.711,672 10.631,673 11.538,674 12.459,675 7.3,677 1,680 1,681 1,685 1,687 4,688 8,689 1,692 1,693 5,695 21,709 1,713 1,714 55,716 23,717 2,718 36,720 59,721 23,722 17,723 6,724 6,730 5,731 7,732 1,736 2,740 1,743 1,745 17,746 6,750 2,753 1,755 2,764 23,765 6,766 2,767 9,768 3,773 4,777 0.6,778 2,786 1,792 1,793 4,796 1,797 1,814 1,819 3,821 2,823 2,824 1,827 32,830 1,833 3,834 2,837 1,838 1,842 1,846 1,847 3.6,850 2,854 16.417,855 10.46,856 6.708,857 3.291,858 4.271,859 1.51,860 1.038,861 5.784,862 12.644,863 3.902,864 4.613,865 5.229,866 5.893,867 6.49,868 6.865,869 7.291,870 7.71,871 7.943,872 8.114,873 0.875,874 56,875 12.137,877 5.58,878 7.74,879 22.939,881 19.861,883 2.24,884 71.694,888 247.193,889 156.669,890 54.326,891 39.149,892 44.313,894 37.085,895 119.584,896 330.655,897 54.326,898 17.65,899 6.317,900 90.152,901 89.275,902 31.661,903 0.746,904 266.7,905 39.149,906 247.193,907 173.91,908 44.313,909 76.234,911 211.88,912 79.626,915 53.17,916 87.549,917 78.147,918 31.278,919 247.193,920 98.639,921 195.818,923 5.807,924 247.193,925 57.83,926 96.156,927 34.416,928 100.247,929 247.193,930 98.639,931 195.818,933 0.601,934 0.352,935 0.196,936 0.111,937 29,938 13,939 0.068,940 4,941 2,942 1.16,943 4.196,944 313.123,945 0.16,946 25,947 158,948 1,950 1,951 21.899,952 8.453,953 4.225,954 3.525,955 98.639,956 14.746,957 4.473,960 1.252,961 3.184,963 34.416,964 541.65,965 48.5,968 -3.752,970 26.549,975 55.374,976 61.348,977 0.308,978 0.671,979 0.853,980 0.945,981 0.945,982 0.945,983 5.178,984 1.843,985 6.116,986 5.955,987 4.691,988 5.301,989 0.824,990 7.011,991 4.563,992 6.444,993 1.523,994 7.732,995 5.575,996 4.511,997 5.453,998 0.325,999 8.202,1000 4.292,1001 7.814,1002 1.419,1003 9.457,1004 4.357,1005 6.405,1006 7.701,1007 0.413,1008 11.298,1009 6.152,1010 9.225,1011 1.347,1012 11.247,1013 4.261,1014 7.013,1015 8.659,1016 0.268,1017 13.316,1018 6.659,1019 10.671,1020 1.162,1021 13.08,1022 3.313,1023 8.447,1024 10.453,1025 0.246,1026 16.009,1027 8.054,1028 12.144,1029 0.778,1030 14.946,1031 2.573,1032 9.401,1033 11.753,1034 0.188,1035 18.347,1036 8.904,1037 13.636,1038 0.752,1039 16.836,1040 1.938,1041 10.677,1042 13.388,1043 0.157,1044 20.926,1045 10.125,1046 3.492,1047 0.051,1048 18.744,1049 1.883,1050 11.781,1051 14.831,1052 0.125,1053 23.389,1054 11.128,1055 3.148,1056 13.079,1057 20.668,1058 0.142,1059 13.007,1060 16.409,1061 0.102,1062 25.941,1063 12.284,1064 2.95,1065 10.905,1066 22.603,1067 4.865,1068 14.176,1069 17.914,1070 0.082,1071 28.455,1072 13.353,1073 2.627,1074 10.071,1075 24.549,1076 4.48,1077 15.392,1078 19.473,1079 0.067,1080 31.004,1081 14.486,1082 2.289,1083 8.061,1084 26.502,1085 4.309,1086 16.591,1087 21.005,1088 0.054,1089 33.543,1090 15.587,1091 2.186,1092 6.769,1093 28.463,1094 3.187,1095 17.809,1096 22.559,1097 0.043,1098 36.096,1099 16.713,1100 2.061,1101 6.06,1102 30.429,1103 3.061,1104 19.023,1105 24.104,1106 0.035,1107 38.647,1108 17.828,1109 13233,1110 22466,1111 23.868,1112 39.699,1113 55.551,1114 56.822,1115 57.508,1116 55.434,1117 55.256,1118 74.205,1119 2.4,1120 169.885,1121 51.614,1122 5.94,1123 6.713,1124 6.996,1125 5.571,1126 5.492,1127 7.865,1128 1.2,1129 21.164,1130 5.156,1131 16.439,1132 1.543,1133 1.578,1134 1.597,1135 1.54,1136 1.535,1137 2.061,1138 0.067,1139 4.719,1140 1.434,1141 4.179,1142 4.173,1143 4.796,1144 4.215,1145 7.717,1146 4.129,1147 4.062,1148 4.08,1149 4.198,1150 4.001,1151 6.999,1152 4.002,1153 3.829,1154 3.875,1155 4.036,1156 3.766,1157 4.997,1158 3.68,1159 3.76,1160 3.753,1161 3.755,1162 3.608,1163 4.962,1164 3.602,1165 3.434,1166 3.477,1167 3.672,1168 3.34,1169 4.514,1170 3.331,1171 3.311,1172 3.365,1173 3.346,1174 3.224,1175 4.443,1176 3.173,1177 3.261,1178 3.332,1179 3.087,1180 3.092,1181 4.386,1182 3.068,1183 3.043,1184 3.126,1185 3.057,1186 2.982,1187 3.982,1188 2.898,1189 0.137,1190 0.131,1191 0.207,1192 0.122,1193 0.097,1194 4.94,1195 0.135,1196 4.713,1197 0.022,1198 7.441,1199 0.363,1200 4.396,1201 0.088,1202 3.492,1203 4.865,1204 0.8,1205 13.079,1206 3.156,1207 2.047,1208 2.026,1209 2.113,1210 2.148,1211 1.326,1212 2.145,1213 1.926,1214 1.915,1215 1.981,1216 1.976,1217 1.193,1218 1.994,1219 1.778,1220 1.801,1221 1.964,1222 1.961,1223 1.167,1224 1.973,1225 1.721,1226 1.68,1227 1.678,1228 1.799,1229 0.993,1230 1.861,1231 1.44,1232 1.396,1233 1.654,1234 1.58,1235 0.9,1236 1.609,1237 1.298,1238 1.234,1239 1.588,1240 1.516,1241 0.688,1242 1.56,1243 1.248,1244 1.202,1245 1.317,1246 1.431,1247 0.56,1248 1.476,1249 1.005,1250 0.963,1251 1.214,1252 1.259,1253 0.478,1254 1.275,1255 4.29,1257 5.666,1258 2.398,1259 7.235,1260 4.844,1261 8.891,1262 7.05,1263 10.592,1265 3.979,1266 6.113,1271 2.689,1272 6.227,1275 0.387,1276 2.323,1280 36.985,1281 97.891,1282 213.463,1283 271.304,1284 300.465,1285 300.465,1286 300.465,1287 60.226,1288 8.374,1289 74.33,1290 110.95,1291 29,1292 12.969,1293 4.585,1294 3.755,1295 45.693,1296 134,1297 128,1298 0.167,1299 233.845,1300 391.11,1301 562.342,1302 56444,1303 1.8,1304 22.457,1305 0.702,1306 0.628,1307 23.561,1308 20.112,1309 15.315,1310 0.425,1311 0.363,1312 10.525,1313 13.501,1314 9.983,1315 8.241,1316 16.833,1317 13.08,1318 14.966,1319 0.277,1320 0.213,1321 17.307,1322 11.49,1323 12.397,1324 0.17,1325 0.127,1326 14.92,1327 9.288,1328 10.902,1329 0.108,1330 0.071,1331 13.372,1332 7.22,1333 9.052,1334 0.069,1335 0.041,1336 11.537,1337 5.429,1338 0.261,1339 110.22,1340 0.205,1341 29.593,1342 0.462,1343 180,1344 493.351,1345 275.486,1346 555.398,1347 757.15,1348 514,1349 217,1350 502.399,1351 314.153,1352 574.193,1353 847.54,1354 539,1355 6.4} {0 CHEMBL96467,1 1.681,2 15.588,3 4.83,4 23.329,5 121.176,6 7.67,7 0.324,8 4.226,9 4.343,10 3.802,11 3.721,12 5.356,13 3.718,14 4.819,15 4.993,16 4.196,17 4.136,18 5.988,19 4.109,20 5.139,21 5.36,22 4.273,23 4.307,24 6.313,25 4.249,26 5.21,27 5.447,28 4.209,29 4.304,30 6.367,31 4.222,32 5.191,33 5.436,34 4.124,35 4.259,36 6.227,37 4.164,38 5.171,39 5.426,40 4.091,41 4.122,42 6.331,43 4.052,44 4.986,45 5.234,46 3.986,47 3.928,48 6.357,49 3.878,50 4.833,51 5.077,52 3.79,53 3.82,54 6.18,55 3.748,56 0.13,57 1.096,58 12.126,59 6.007,60 18.84,61 7.367,62 0.629,63 1.773,64 25.405,65 10.085,66 47.693,67 13.006,68 0.954,69 2.308,70 39.059,71 13.748,72 135.695,73 18,74 1.148,75 2.087,76 43.202,77 14.255,78 157.625,79 19.45,80 0.907,81 1.943,82 42.684,83 14.151,84 123.397,85 19.782,86 1.295,87 1.955,88 44.203,89 12.656,90 158.658,91 17.328,92 1.329,93 1.782,94 37.248,95 10.748,96 203.469,97 13.982,98 1.255,99 1.471,100 31.844,101 9.123,102 180.781,103 12.049,104 37,105 52,106 0.271,107 0.566,108 0.735,109 0.827,110 0.861,111 0.861,112 3.56,113 0.935,114 -5.25,115 -5.14,116 -4.8,119 40.3,120 1,121 3,122 1,125 4,127 2,140 7,141 2,142 3,157 2,169 10,171 4,172 5,174 2,176 1,178 11,182 5,189 10,192 2,193 9,195 3,197 1,199 8,203 8,208 3,211 2,214 2,215 6,220 3,222 2,231 1,233 5,236 2,237 5,242 1,244 3,249 5,254 2,259 2162,260 22.637,261 22.637,262 22.637,263 22.637,264 22.637,265 20.821,266 31.758,267 13.195,268 23.182,269 18.2,270 18.2,271 18.2,272 18.2,273 18.2,274 15.46,275 39.683,276 6.239,277 19.119,278 4.274,279 2.452,280 1.402,281 0.835,282 0.625,283 0.625,284 4.251,288 1,289 1,290 1142,291 3.536,294 111.637,295 378.248,302 2.225,303 58.693,306 1,307 0.83,308 1,309 1,310 1,311 1,312 1,313 0.98,314 77,315 530,316 4.443,317 4.026,318 7.015,319 4.245,320 3.299,321 3.924,322 2.224,323 11.945,324 3.116,325 4.142,326 3.405,327 6.148,328 3.876,329 2.886,330 3.675,331 1.66,332 9.073,333 2.862,334 4.132,335 3.317,336 6.019,337 3.725,338 2.784,339 3.489,340 0.8,341 8.468,342 2.608,343 3.659,344 3.13,345 5.772,346 3.421,347 2.485,348 2.895,349 0.657,350 7.491,351 2.322,352 3.626,353 3.013,354 5.332,355 3.334,356 2.371,357 2.876,358 0.241,359 6.935,360 2.256,361 3.425,362 2.862,363 5.122,364 3.182,365 2.244,366 2.541,367 0.125,368 6.063,369 2.089,370 3.388,371 2.703,372 5.033,373 3.027,374 2.077,375 2.472,377 5.944,378 1.947,379 2.936,380 2.247,381 4.73,382 2.667,383 1.699,384 1.972,386 4.637,387 1.629,388 2.819,389 2.099,390 4.307,391 2.506,392 1.521,393 1.94,395 4.047,396 1.487,397 2.707,398 1.748,399 4.225,400 2.353,401 1.414,402 1.729,404 3.551,405 1.312,406 2.5,407 1.675,408 4.035,409 2.302,410 1.337,411 1.5,413 3.388,414 1.28,415 2.445,416 1.541,417 3.541,418 2,419 1,420 1.435,422 2.571,423 1,424 2.176,425 1.077,426 3.414,427 1.984,428 1,429 1.098,431 2.275,432 0.983,433 2,434 1,435 3.414,436 1.936,437 0.991,438 1,440 2.275,441 0.924,442 1.519,443 0.908,444 3.012,445 1.363,446 0.399,447 0.427,449 0.904,450 0.38,451 15.557,452 0.458,453 0.929,454 0.027,455 37.25,456 1.096,457 15,458 0.441,459 22.25,460 0.654,461 34.208,462 1.006,463 39.043,464 0.63,465 31.619,466 0.93,467 7.407,468 0.218,469 8.922,470 0.262,471 0.13,473 0.373,477 3,479 0.599,480 1.145,481 0.711,482 1.197,483 0.504,484 1.039,485 0.582,486 0.964,487 0.818,488 1.052,489 0.482,490 1.02,491 0.816,492 0.95,493 0.928,494 1.043,495 0.688,496 1.023,497 0.739,498 0.817,499 0.971,500 1.006,501 0.737,502 1.047,503 0.716,504 0.809,505 0.91,506 1.053,507 0.704,508 1.055,509 0.985,510 0.838,511 0.99,512 0.894,513 1.024,514 0.932,515 1.111,516 1.063,517 1.023,518 0.948,519 1.146,520 0.949,521 1.074,522 0.845,523 1.122,524 0.85,525 1.151,526 0.967,527 7,528 0.172,529 4.444,530 2.757,531 2.038,532 1.181,533 0.946,534 0.474,535 0.279,536 0.252,537 19146,538 60462,539 2.042,540 45.2,541 1,542 17,545 1,547 7,548 2,550 1.754,551 1.889,552 3.859,553 -0.334,559 104.193,560 1.681,561 3.502,562 4.552,563 5.119,564 5.329,565 5.329,566 3.338,567 4.735,568 5.06,569 4.064,570 2280.16,571 8.835,572 37187.3,577 369.16,578 1.484,579 5.006,580 0.189,581 0.006,582 0.085,583 0.051,584 0.042,585 0.026,586 0.023,587 0.013,588 0.009,589 0.009,590 0.454,591 0.17,592 0.88,593 0.591,594 186.76,595 -0.029,596 -0.127,597 0.041,598 -0.066,599 -0.009,600 -0.007,601 0.11,602 -0.025,603 0.029,604 -0.025,605 0.084,606 -0.029,607 -0.006,608 -0.022,609 -0.002,610 -0.043,611 0.062,612 -0.023,613 0.034,614 -0.012,615 -0.032,616 -0.05,617 0.033,618 -0.057,619 -0.012,620 -0.097,621 0.023,622 -0.095,623 -0.02,624 -0.044,625 -0.025,626 -0.035,627 0.023,628 0.009,629 -0.063,630 0.024,631 0.065,632 -0.025,633 0.035,634 -0.009,635 0.067,636 0.003,637 0.065,638 0.157,639 -0.082,640 0.084,641 0.033,642 -0.021,643 2.715,644 5.718,645 0.676,646 40.433,647 1.019,648 1.144,649 4.016,650 16.128,651 0.643,652 3.638,653 3.97,654 4.234,655 4.477,656 4.673,657 4.682,658 4.745,659 4.762,660 4.762,661 4.727,662 8.87,663 0.625,664 475.56,665 3.638,666 5.187,667 6.038,668 6.917,669 7.785,670 8.669,671 9.546,672 10.433,673 11.315,674 12.204,675 4.8,678 1,682 2,688 7,693 5,695 12,713 3,714 62,716 14,717 2,718 37,720 65,721 25,722 12,723 5,724 7,730 4,731 4,735 1,736 1,740 4,741 1,743 5,745 14,746 11,747 1,750 2,755 2,759 2,762 3,764 28,765 9,766 1,767 9,773 3,775 1,777 1,778 3,792 1,793 3,815 1,816 1,819 4,823 1,825 3,827 34,833 7,834 1,835 1,837 3,838 2,846 3,847 4.8,850 2,852 1,854 18,855 11.162,856 7.444,857 3.949,858 1.843,859 1.234,860 0.961,861 7.798,862 9.716,863 3.829,864 4.344,865 4.792,866 5.246,867 5.686,868 5.725,869 5.877,870 6.035,871 6.116,872 6,873 1,874 54,875 12.823,877 5.739,878 8.152,879 23.79,881 19.997,883 2.652,884 90.167,888 317.82,889 135.958,890 24.259,892 61.29,893 44.88,895 135.958,896 379.109,897 69.14,898 8.825,899 37.161,900 66.334,901 50.29,902 47.858,903 55.919,904 317.82,906 317.82,907 160.217,908 106.17,911 256.76,912 167.23,915 49.111,916 111.106,919 362.7,920 85.549,921 135.958,924 317.82,925 60.799,926 81.408,927 18.011,928 106.17,929 317.82,930 130.429,931 135.958,933 0.588,934 0.345,935 0.181,936 0.1,937 24,938 12,939 0.092,940 6,942 1,943 4.537,944 305.573,946 23,947 164.974,951 24.562,952 10.795,953 5.757,955 130.429,956 9.99,961 -0.824,963 18.011,964 584.207,965 45,970 24.972,974 -1.443,975 63.196,976 70.955,977 0.282,978 0.588,979 0.765,980 0.86,981 0.895,982 0.895,983 5.094,984 1.699,985 6.033,986 5.944,987 4.654,988 5.03,989 2.782,990 6.849,991 4.559,992 6.268,993 1.521,994 7.601,995 4.637,996 4.29,997 4.808,998 2.2,999 7.786,1000 4.12,1001 7.559,1002 1.414,1003 9.27,1004 4.047,1005 6.256,1006 7.058,1007 3.825,1008 10.895,1009 6.069,1010 8.879,1011 1.337,1012 10.998,1013 3.551,1014 6.698,1015 7.599,1016 3.906,1017 12.712,1018 6.435,1019 10.23,1020 1,1021 12.765,1022 3.388,1023 8.152,1024 9.379,1025 5.153,1026 15.366,1027 7.874,1028 11.601,1029 1,1030 14.562,1031 2.571,1032 8.971,1033 10.269,1034 5.549,1035 17.566,1036 8.621,1037 12.99,1038 0.991,1039 16.382,1040 2.275,1041 10.229,1042 11.854,1043 6.602,1044 20.081,1045 9.854,1046 3.299,1047 0.399,1048 18.22,1049 2.275,1050 11.228,1051 12.926,1052 7.167,1053 22.445,1054 10.789,1055 2.886,1056 11.945,1057 20.074,1058 0.904,1059 12.415,1060 14.411,1061 8.114,1062 24.923,1063 11.939,1064 2.784,1065 9.073,1066 21.941,1067 3.924,1068 13.501,1069 15.588,1070 8.776,1071 27.353,1072 12.965,1073 2.485,1074 8.468,1075 23.819,1076 3.675,1077 14.667,1078 17.017,1079 9.662,1080 29.826,1081 14.085,1082 2.371,1083 7.491,1084 25.706,1085 3.489,1086 15.797,1087 18.257,1088 10.381,1089 32.284,1090 15.156,1091 2.244,1092 6.935,1093 27.602,1094 2.895,1095 16.961,1096 19.653,1097 11.231,1098 34.757,1099 16.269,1100 2.077,1101 6.063,1102 29.505,1103 2.876,1104 18.114,1105 20.933,1106 11.983,1107 37.227,1108 17.362,1109 18173,1110 32572,1111 24.274,1112 39.853,1113 55.718,1114 58.126,1115 57.914,1116 55.353,1117 55.263,1118 66.242,1119 11.414,1120 159.695,1121 52.608,1122 5.443,1123 6.026,1124 6.699,1125 5.329,1126 5.299,1127 6.924,1128 3.929,1129 19.143,1130 5.116,1131 19.601,1132 1.506,1133 1.571,1134 1.565,1135 1.496,1136 1.494,1137 1.79,1138 0.308,1139 4.316,1140 1.422,1141 4.017,1142 4.053,1143 3.965,1144 3.918,1145 8.24,1146 3.919,1147 3.964,1148 3.996,1149 3.902,1150 3.874,1151 8.201,1152 3.878,1153 3.782,1154 3.836,1155 3.715,1156 3.626,1157 8.161,1158 3.629,1159 3.73,1160 3.764,1161 3.654,1162 3.52,1163 7.447,1164 3.553,1165 3.569,1166 3.633,1167 3.434,1168 3.401,1169 7.415,1170 3.394,1171 3.307,1172 3.37,1173 3.186,1174 3.06,1175 4.653,1176 3.086,1177 3.111,1178 3.206,1179 2.989,1180 2.941,1181 4.613,1182 2.91,1183 3.107,1184 3.182,1185 2.921,1186 2.878,1187 4.402,1188 2.886,1189 0.12,1190 0.109,1191 0.19,1192 0.115,1193 0.089,1194 4.443,1195 0.106,1196 4.026,1197 0.06,1198 7.015,1199 0.323,1200 4.245,1201 0.084,1202 3.299,1203 3.924,1204 2.224,1205 11.945,1206 3.116,1207 1.961,1208 1.928,1209 2.108,1210 2.078,1211 1.457,1212 2.091,1213 1.907,1214 1.884,1215 2,1216 2.014,1217 1.237,1218 2.008,1219 1.75,1220 1.693,1221 1.935,1222 1.922,1223 1.2,1224 1.928,1225 1.591,1226 1.53,1227 1.821,1228 1.815,1229 1.001,1230 1.809,1231 1.506,1232 1.453,1233 1.754,1234 1.712,1235 0.904,1236 1.724,1237 1.327,1238 1.296,1239 1.513,1240 1.627,1241 0.825,1242 1.583,1243 1.153,1244 1.064,1245 1.471,1246 1.376,1247 0.646,1248 1.429,1249 1.076,1250 1.009,1251 1.323,1252 1.362,1253 0.505,1254 1.349,1255 4.317,1257 5.645,1258 2.398,1259 7.16,1260 4.844,1261 8.76,1262 7.018,1263 10.405,1265 1.604,1267 40.148,1271 5.676,1272 2.737,1273 5.168,1275 -1.105,1276 3.244,1280 38.734,1281 104.193,1282 217.154,1283 282.224,1284 317.386,1285 330.405,1286 330.405,1287 102.607,1288 7.872,1289 61.88,1290 61.88,1291 23,1292 12.735,1293 3.907,1294 3.17,1295 57.424,1296 184,1297 192,1298 0.149,1299 233.552,1300 426.28,1301 561.628,1302 34086,1303 4.8,1304 24.242,1305 0.713,1306 0.558,1307 21.631,1308 18.976,1309 16.329,1310 0.441,1311 0.312,1312 11.327,1313 15.473,1314 11.16,1315 9.139,1316 15.131,1317 11.537,1318 14.935,1319 0.287,1320 0.17,1321 13.184,1322 8.83,1323 12.483,1324 0.184,1325 0.097,1326 11.083,1327 6.567,1328 10.115,1329 0.116,1330 0.054,1331 9.543,1332 4.737,1333 8.029,1334 0.076,1335 0.031,1336 7.426,1337 3.277,1338 0.245,1339 104.112,1340 0.203,1341 32.239,1342 0.382,1343 178,1344 711.163,1345 205.509,1346 595.465,1347 771.23,1348 552,1349 209,1350 535.312,1351 234.922,1352 516.405,1353 761.75,1354 486,1355 6.301} {0 CHEMBL97158,1 1.809,2 11.613,3 4.697,4 22.061,5 128.16,6 9.097,7 0.6,8 4.077,9 4.17,10 3.976,11 3.748,12 5.108,13 3.682,14 4.633,15 4.776,16 4.376,17 4.181,18 5.867,19 4.092,20 4.878,21 5.053,22 4.482,23 4.336,24 5.942,25 4.219,26 4.915,27 5.084,28 4.364,29 4.335,30 6.016,31 4.198,32 4.939,33 5.125,34 4.384,35 4.272,36 6.108,37 4.143,38 4.902,39 5.106,40 4.255,41 4.169,42 6.006,43 4.045,44 4.766,45 4.977,46 4.177,47 4.035,48 6.006,49 3.914,50 4.614,51 4.824,52 3.986,53 3.948,54 5.654,55 3.811,56 0.103,57 0.799,58 10.529,59 5.038,60 15.85,61 5.495,62 0.381,63 1.352,64 22.577,65 9.192,66 52.408,67 9.954,68 0.421,69 1.68,70 32.894,71 12.341,72 36.97,73 13.563,74 0.308,75 1.716,76 40.047,77 14.852,78 36.127,79 15.761,80 0.502,81 1.648,82 37.698,83 13.851,84 74.539,85 14.936,86 0.51,87 1.618,88 40.676,89 12.776,90 65.968,91 14.029,92 0.725,93 1.43,94 30.814,95 10.646,96 81.6,97 12.291,98 0.334,99 1.243,100 30.904,101 10.537,102 43.155,103 11.812,104 17,105 52,106 0.297,107 0.627,108 0.763,109 0.85,110 0.85,111 0.85,112 3.472,113 1.085,114 -3.76,115 -3.72,116 -3.54,119 42.3,120 1,125 4,140 7,141 3,142 3,143 1,144 1,150 1,151 1,169 6,171 1,172 5,174 2,176 2,178 12,182 7,184 1,186 4,189 12,192 1,193 9,197 2,199 4,203 9,206 2,208 5,211 8,215 2,220 2,222 8,225 4,226 4,229 1,231 2,233 8,237 4,241 1,242 1,244 8,249 4,256 6,259 1503,260 20.833,261 20.833,262 20.833,263 20.833,264 20.833,265 18.101,266 20.709,267 12.024,268 21.531,269 17.297,270 17.297,271 17.297,272 17.297,273 17.297,274 13.057,275 23.379,276 5.734,277 18.539,278 3.891,279 1.879,280 1.046,281 0.515,282 0.515,283 0.515,284 4.179,285 1,288 1,289 1,290 802,291 3.464,294 64.326,295 330.267,298 125.824,299 132.827,302 1.65,303 34.67,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 66.333,315 360,316 4.94,317 4.713,318 7.441,319 4.396,320 3.492,321 4.865,322 0.8,323 13.079,324 3.156,325 4.558,326 3.272,327 6.701,328 4.112,329 3.142,330 4.48,331 0.4,332 10.888,333 3.045,334 4.438,335 3.129,336 6.494,337 3.908,338 2.949,339 4.309,341 10.07,342 2.813,343 3.802,344 2.768,345 5.789,346 3.494,347 2.549,348 3.182,350 7.918,351 2.403,352 3.64,353 2.709,354 5.41,355 3.179,356 2.261,357 3.06,359 6.739,360 2.082,361 3.518,362 2.34,363 5.12,364 3.054,365 2.123,366 2.891,368 6.028,369 1.936,370 3.286,371 1.995,372 4.954,373 2.77,374 1.844,375 2.623,377 5.576,378 1.725,379 3.059,380 1.964,381 4.683,382 2.759,383 1.803,384 2.18,386 4.81,387 1.621,388 2.907,389 1.528,390 4.63,391 2.398,392 1.436,393 2.077,395 4.306,396 1.38,397 2.859,398 1.486,399 4.041,400 2.277,401 1.353,402 2.002,404 3.462,405 1.228,406 2.469,407 1.387,408 3.592,409 2.208,410 1.27,411 1.463,413 2.83,414 1.187,415 2.187,416 1.146,417 3.546,418 1.967,419 1,420 1.059,422 2.136,423 0.965,424 2.12,425 0.965,426 3.328,427 1.731,428 0.775,429 1.021,431 1.919,432 0.738,433 2,434 0.832,435 3.247,436 1.659,437 0.751,438 1,440 1.866,441 0.659,442 1.371,443 0.577,444 3.202,445 1.001,446 0.051,447 0.063,449 0.141,450 0.047,451 15.648,452 0.505,453 0.923,454 0.03,455 42.25,456 1.363,457 22,458 0.71,459 20.25,460 0.653,461 27.991,462 0.903,463 32.352,464 0.622,465 31.859,466 1.028,467 7.803,468 0.252,469 7.118,470 0.23,471 0.12,472 0.053,473 0.313,479 0.573,480 1.225,481 0.685,482 0.992,483 0.639,484 0.828,485 0.723,486 0.976,487 0.683,488 0.735,489 0.504,490 0.782,491 0.975,492 0.943,493 0.922,494 0.924,495 0.857,496 0.89,497 0.919,498 1.197,499 1.222,500 1.339,501 0.86,502 1.136,503 1.29,504 0.997,505 0.845,506 0.928,507 1.564,508 0.989,509 1.312,510 1.073,511 0.953,512 0.992,513 1.42,514 1.013,515 0.759,516 0.853,517 0.801,518 0.865,519 0.861,520 0.932,521 0.94,522 0.949,523 0.993,524 1.057,525 1.008,526 0.924,527 7,528 0.189,529 4.222,530 2.944,531 2.361,532 0.99,533 0.985,534 0.462,535 0.374,536 0.294,537 13194,538 38059,539 2.132,540 40.4,541 3,542 15,544 1,545 2,550 1.738,551 1.989,552 3.501,553 0.257,559 94.077,560 1.809,561 3.821,562 4.654,563 5.186,564 5.186,565 5.186,566 2.906,567 4.761,568 4.929,569 3.637,570 1691.22,571 8.615,572 23431.6,577 296.423,578 1.56,579 4.879,580 0.2,581 0.007,582 0.081,583 0.055,584 0.046,585 0.021,586 0.023,587 0.012,588 0.011,589 0.009,590 0.466,591 0.33,592 0.75,593 0.541,594 159.65,595 0.061,596 -0.107,597 0.123,598 -0.03,599 -0.138,600 0.043,601 0.145,602 0.118,603 0.122,604 0.177,605 0.265,606 0.099,607 -0.068,608 0.107,609 0.044,610 0.074,611 -0.036,612 0.057,613 -0.043,614 -0.173,615 -0.165,616 -0.223,617 0.061,618 -0.142,619 -0.103,620 -0.043,621 0.053,622 0.04,623 -0.106,624 -0.026,625 -0.158,626 -0.092,627 -0.016,628 -0.041,629 -0.156,630 -0.051,631 0.338,632 0.16,633 0.09,634 0.051,635 0.238,636 0.017,637 -0.008,638 0.035,639 0.016,640 0.005,641 -0.009,642 0.095,643 4.66,644 6.232,645 0.806,646 27.723,647 1.009,648 1.114,649 2.526,650 6.379,651 0.73,652 3.584,653 3.97,654 4.277,655 4.595,656 4.852,657 4.927,658 5.088,659 5.226,660 5.257,661 5.303,662 6.745,663 0.682,664 473.06,665 3.584,666 5.165,667 6.043,668 6.957,669 7.854,670 8.772,671 9.676,672 10.595,673 11.503,674 12.423,675 7.7,677 1,680 1,681 1,685 1,687 4,688 8,689 1,692 1,693 5,695 21,709 1,713 1,714 52,716 23,717 2,718 35,720 56,721 22,722 17,723 6,724 6,730 5,731 7,732 1,736 1,745 17,746 5,750 2,753 1,755 2,764 21,765 6,766 2,767 9,768 3,773 4,777 0.6,778 2,786 1,792 1,793 4,796 1,797 1,814 1,819 3,821 2,823 1,824 1,827 31,830 1,833 4,834 2,838 1,842 1,846 1,847 3.8,850 2,854 15.583,855 9.626,856 6.542,857 3.083,858 4.267,859 1.515,860 1.054,861 5.548,862 12.545,863 3.882,864 4.593,865 5.218,866 5.885,867 6.482,868 6.855,869 7.28,870 7.697,871 7.924,872 8.085,873 0.875,874 54,875 11.759,877 5.418,878 7.754,879 22.183,881 19.176,883 2.254,884 69.861,888 223.651,889 149.95,890 54.326,891 39.149,892 44.313,894 37.085,895 112.865,896 307.113,897 54.326,898 8.825,899 8.423,900 90.152,901 89.275,902 31.661,903 0.746,904 243.158,905 39.149,906 223.651,907 167.19,908 44.313,909 76.234,911 223.651,912 44.313,915 46.45,916 87.549,917 78.147,918 31.278,919 223.651,920 98.639,921 189.098,923 5.807,924 223.651,925 59.936,926 87.331,927 34.416,928 100.247,929 223.651,930 98.639,931 189.098,933 0.597,934 0.353,935 0.198,936 0.112,937 28,938 12,939 0.071,940 4,941 2,942 1.16,943 4.149,944 299.62,945 0.16,946 25,947 147.58,948 1,950 1,951 20.952,952 8.209,953 4.002,954 3.531,955 98.639,956 14.721,957 4.454,960 1.252,961 3.192,963 34.416,964 511.388,965 47.5,968 -3.744,970 26.463,975 52.491,976 57.933,977 0.317,978 0.67,979 0.816,980 0.91,981 0.91,982 0.91,983 5.149,984 1.803,985 6.075,986 5.576,987 4.654,988 5.281,989 0.824,990 6.971,991 4.522,992 6.413,993 1.436,994 7.69,995 4.81,996 4.443,997 5.427,998 0.325,999 8.172,1000 4.215,1001 7.784,1002 1.353,1003 9.416,1004 4.306,1005 6.365,1006 7.69,1007 0.413,1008 11.272,1009 6.107,1010 9.198,1011 1.27,1012 11.21,1013 3.462,1014 6.967,1015 8.65,1016 0.268,1017 13.304,1018 6.606,1019 10.648,1020 1,1021 13.05,1022 2.83,1023 8.414,1024 10.449,1025 0.246,1026 15.997,1027 8.016,1028 12.124,1029 0.775,1030 14.92,1031 2.136,1032 9.369,1033 11.75,1034 0.188,1035 18.341,1036 8.867,1037 13.62,1038 0.751,1039 16.815,1040 1.919,1041 10.652,1042 13.386,1043 0.157,1044 20.92,1045 10.095,1046 3.492,1047 0.051,1048 18.727,1049 1.866,1050 11.758,1051 14.83,1052 0.125,1053 23.385,1054 11.1,1055 3.142,1056 13.079,1057 20.654,1058 0.141,1059 12.989,1060 16.409,1061 0.102,1062 25.937,1063 12.26,1064 2.949,1065 10.888,1066 22.593,1067 4.865,1068 14.16,1069 17.914,1070 0.082,1071 28.452,1072 13.333,1073 2.549,1074 10.07,1075 24.54,1076 4.48,1077 15.378,1078 19.473,1079 0.067,1080 31.002,1081 14.468,1082 2.261,1083 7.918,1084 26.496,1085 4.309,1086 16.579,1087 21.004,1088 0.054,1089 33.541,1090 15.57,1091 2.123,1092 6.739,1093 28.457,1094 3.182,1095 17.798,1096 22.559,1097 0.043,1098 36.094,1099 16.699,1100 1.844,1101 6.028,1102 30.425,1103 3.06,1104 19.013,1105 24.104,1106 0.035,1107 38.645,1108 17.815,1109 12201,1110 20980,1111 23.463,1112 37.938,1113 53.595,1114 55.113,1115 55.216,1116 53.798,1117 53.597,1118 72.546,1119 2.4,1120 163.534,1121 49.972,1122 5.94,1123 6.713,1124 7.243,1125 5.571,1126 5.492,1127 7.865,1128 1.2,1129 21.164,1130 5.156,1131 14.179,1132 1.531,1133 1.575,1134 1.578,1135 1.537,1136 1.531,1137 2.073,1138 0.069,1139 4.672,1140 1.428,1141 4.178,1142 4.171,1143 4.796,1144 4.215,1145 7.717,1146 4.129,1147 4.061,1148 4.079,1149 4.198,1150 4,1151 6.999,1152 4.001,1153 3.818,1154 3.85,1155 4.034,1156 3.765,1157 4.997,1158 3.675,1159 3.735,1160 3.746,1161 3.755,1162 3.56,1163 4.962,1164 3.56,1165 3.424,1166 3.468,1167 3.632,1168 3.326,1169 4.514,1170 3.317,1171 3.306,1172 3.341,1173 3.333,1174 3.22,1175 4.425,1176 3.169,1177 3.111,1178 3.206,1179 3.087,1180 2.982,1181 4.372,1182 2.91,1183 3.032,1184 3.11,1185 2.946,1186 2.941,1187 3.981,1188 2.898,1189 0.141,1190 0.135,1191 0.213,1192 0.126,1193 0.1,1194 4.94,1195 0.139,1196 4.713,1197 0.023,1198 7.441,1199 0.374,1200 4.396,1201 0.09,1202 3.492,1203 4.865,1204 0.8,1205 13.079,1206 3.156,1207 2.047,1208 2.025,1209 2.111,1210 2.146,1211 1.309,1212 2.144,1213 1.926,1214 1.915,1215 1.981,1216 1.971,1217 1.182,1218 1.991,1219 1.762,1220 1.799,1221 1.932,1222 1.944,1223 1.159,1224 1.955,1225 1.696,1226 1.638,1227 1.677,1228 1.796,1229 0.991,1230 1.856,1231 1.428,1232 1.382,1233 1.596,1234 1.57,1235 0.825,1236 1.595,1237 1.251,1238 1.227,1239 1.513,1240 1.433,1241 0.681,1242 1.478,1243 1.153,1244 1.064,1245 1.233,1246 1.376,1247 0.552,1248 1.429,1249 0.99,1250 0.962,1251 1.171,1252 1.228,1253 0.326,1254 1.226,1255 4.263,1257 5.631,1258 2.398,1259 7.198,1260 4.844,1261 8.854,1262 7.05,1263 10.555,1265 1.816,1266 6.104,1271 3.647,1272 6.121,1276 2.304,1280 35.458,1281 94.077,1282 198.718,1283 242.016,1284 269.668,1285 269.668,1286 269.668,1287 56.3,1288 8.278,1289 74.33,1290 110.95,1291 29,1292 12.934,1293 4.585,1294 3.755,1295 43.618,1296 127,1297 120,1298 0.168,1299 224.253,1300 373.81,1301 538.937,1302 50113,1303 1.9,1304 21.587,1305 0.696,1306 0.621,1307 22.691,1308 19.242,1309 14.921,1310 0.426,1311 0.362,1312 10.102,1313 13.102,1314 9.626,1315 7.911,1316 16.439,1317 12.659,1318 14.332,1319 0.276,1320 0.21,1321 16.673,1322 10.926,1323 12.07,1324 0.17,1325 0.127,1326 14.593,1327 9.037,1328 10.594,1329 0.108,1330 0.071,1331 13.065,1332 6.974,1333 8.85,1334 0.07,1335 0.042,1336 11.335,1337 5.28,1338 0.263,1339 107.903,1340 0.206,1341 28.833,1342 0.467,1343 174,1344 487.351,1345 269.153,1346 548.612,1347 747.09,1348 508,1349 210,1350 493.117,1351 306.82,1352 564.082,1353 833.34,1354 530,1355 6.2} {0 CHEMBL97211,1 1.78,2 11.688,3 4.98,4 24.795,5 132.752,6 8.856,7 0.583,8 4.125,9 4.221,10 3.998,11 3.788,12 5.142,13 3.72,14 4.686,15 4.837,16 4.404,17 4.22,18 5.899,19 4.13,20 4.925,21 5.1,22 4.509,23 4.379,24 5.987,25 4.263,26 4.976,27 5.15,28 4.407,29 4.39,30 6.054,31 4.253,32 5.003,33 5.187,34 4.439,35 4.349,36 6.154,37 4.224,38 5.004,39 5.202,40 4.314,41 4.29,42 6.081,43 4.157,44 4.957,45 5.196,46 4.227,47 4.163,48 6.1,49 4.018,50 4.773,51 5.014,52 4.045,53 4.034,54 5.737,55 3.881,56 0.097,57 0.84,58 11.746,59 5.401,60 15.381,61 6.091,62 0.371,63 1.421,64 25.101,65 9.907,66 52.826,67 11.104,68 0.422,69 1.769,70 34.774,71 12.72,72 37.971,73 14.254,74 0.283,75 1.815,76 42.574,77 15.751,78 36.048,79 17.202,80 0.494,81 1.77,82 39.672,83 14.423,84 72.174,85 15.89,86 0.47,87 1.787,88 42.634,89 14,90 63.806,91 16.004,92 0.758,93 1.69,94 39.252,95 13.442,96 89.62,97 16.474,98 0.411,99 1.448,100 36.586,101 11.966,102 47.459,103 13.981,104 26,105 54,106 0.289,107 0.612,108 0.746,109 0.846,110 0.846,111 0.846,112 3.503,113 1.09,114 -3.97,115 -3.92,116 -3.72,119 41.8,120 2,125 4,140 7,141 3,142 3,144 2,150 1,151 1,169 6,171 1,172 6,174 2,176 2,178 13,182 7,184 1,186 4,189 12,192 1,193 10,197 2,199 6,203 9,206 2,208 5,211 10,215 2,220 2,222 8,225 4,226 4,229 1,231 4,233 8,237 4,241 1,242 1,244 8,249 6,256 6,259 1638,260 21.281,261 21.281,262 21.281,263 21.281,264 21.281,265 18.524,266 23.134,267 12.213,268 21.98,269 17.797,270 17.797,271 17.797,272 17.797,273 17.797,274 13.476,275 26.767,276 5.858,277 19.047,278 4.002,279 2.011,280 1.185,281 0.573,282 0.573,283 0.573,284 4.207,285 1,289 1,290 829,291 3.536,294 67.419,295 342.734,298 131.78,299 137.914,302 1.664,303 35.548,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.333,315 374,316 4.94,317 4.713,318 7.441,319 4.396,320 3.492,321 4.865,322 0.8,323 13.079,324 3.158,325 4.586,326 3.299,327 6.72,328 4.14,329 3.17,330 4.514,331 0.4,332 10.977,333 3.068,334 4.44,335 3.129,336 6.494,337 3.909,338 2.95,339 4.31,341 10.071,342 2.815,343 3.814,344 2.773,345 5.797,346 3.494,347 2.551,348 3.246,350 7.953,351 2.404,352 3.658,353 2.719,354 5.419,355 3.264,356 2.317,357 3.061,359 6.838,360 2.192,361 3.613,362 2.49,363 5.153,364 3.116,365 2.205,366 2.988,368 6.127,369 1.986,370 3.353,371 2.171,372 4.967,373 2.929,374 1.966,375 2.674,377 5.734,378 1.878,379 3.283,380 1.992,381 4.954,382 2.768,383 1.84,384 2.615,386 5.549,387 1.723,388 3.058,389 1.963,390 4.69,391 2.759,392 1.803,393 2.16,395 4.858,396 1.621,397 2.866,398 1.523,399 4.627,400 2.279,401 1.361,402 2.011,404 4.293,405 1.229,406 2.516,407 1.457,408 3.799,409 2.25,410 1.307,411 1.52,413 3.048,414 1.228,415 2.187,416 1.146,417 3.59,418 1.967,419 1,420 1.061,422 2.136,423 0.965,424 2.13,425 0.965,426 3.43,427 1.778,428 0.812,429 1.045,431 2.103,432 0.782,433 2,434 0.9,435 3.247,436 1.663,437 0.758,438 1,440 1.9,441 0.662,442 1.499,443 0.592,444 3.229,445 1.128,446 0.176,447 0.221,449 0.474,450 0.166,451 16.148,452 0.505,453 1.029,454 0.032,455 42.75,456 1.336,457 22,458 0.688,459 20.75,460 0.648,461 30.669,462 0.958,463 33.652,464 0.612,465 32.726,466 1.023,467 7.851,468 0.245,469 7.463,470 0.233,471 0.147,472 0.052,473 0.334,479 0.571,480 1.234,481 0.693,482 1.003,483 0.651,484 0.85,485 0.699,486 0.992,487 0.662,488 0.732,489 0.485,490 0.764,491 1.031,492 0.944,493 0.939,494 0.919,495 0.895,496 0.895,497 0.891,498 1.203,499 1.184,500 1.312,501 0.84,502 1.109,503 1.317,504 0.987,505 0.853,506 0.915,507 1.537,508 0.983,509 1.243,510 1.143,511 0.964,512 1.059,513 1.358,514 1.116,515 0.636,516 0.89,517 0.725,518 0.854,519 0.729,520 0.929,521 0.963,522 0.831,523 0.9,524 0.9,525 0.96,526 0.832,527 8,528 0.215,529 4.222,530 3.132,531 2.792,532 1.129,533 1.088,534 0.49,535 0.44,536 0.326,537 14127,538 39736,539 2.108,540 41.8,541 3,542 15,545 2,546 3,550 1.747,551 1.949,552 3.506,553 0.239,559 97.891,560 1.78,561 3.77,562 4.597,563 5.208,564 5.208,565 5.208,566 2.903,567 4.601,568 4.975,569 3.653,570 1812.05,571 8.709,572 25666.8,577 317.975,578 1.617,579 4.916,580 0.222,581 0.007,582 0.078,583 0.056,584 0.052,585 0.022,586 0.024,587 0.012,588 0.013,589 0.009,590 0.496,591 0.33,592 0.75,593 0.575,594 166.346,595 0.067,596 -0.104,597 0.126,598 -0.026,599 -0.147,600 0.043,601 0.173,602 0.102,603 0.156,604 0.191,605 0.287,606 0.136,607 -0.093,608 0.132,609 0.025,610 0.073,611 -0.058,612 0.041,613 -0.022,614 -0.175,615 -0.134,616 -0.202,617 0.072,618 -0.113,619 -0.124,620 -0.008,621 0.028,622 0.038,623 -0.099,624 -0.037,625 -0.148,626 -0.161,627 -0.071,628 -0.128,629 -0.157,630 -0.165,631 0.354,632 0.079,633 0.143,634 0.055,635 0.252,636 0.052,637 -0.021,638 0.161,639 0.087,640 0.127,641 -0.027,642 0.182,643 4.668,644 6.286,645 0.781,646 29.199,647 1.007,648 1.115,649 2.737,650 7.49,651 0.722,652 3.611,653 4.007,654 4.304,655 4.635,656 4.905,657 4.99,658 5.153,659 5.283,660 5.342,661 5.361,662 6.844,663 0.672,664 487.09,665 3.611,666 5.198,667 6.075,668 6.995,669 7.892,670 8.814,671 9.719,672 10.642,673 11.552,674 12.475,675 7.3,677 1,680 1,681 1,685 1,687 4,688 7,689 1,692 1,693 6,695 21,709 1,713 1,714 55,716 23,717 2,718 36,720 59,721 23,722 17,723 6,724 6,730 5,731 7,732 1,736 2,745 17,746 6,750 2,753 1,755 2,764 23,765 6,766 2,767 9,768 3,773 4,777 0.6,778 2,786 1,792 1,793 4,796 1,797 1,814 1,819 3,821 2,823 2,824 1,827 32,830 1,833 4,834 2,838 1,842 1,846 1,847 3.6,850 2,854 16.417,855 10.543,856 6.708,857 3.288,858 4.257,859 1.511,860 1.046,861 5.784,862 12.591,863 3.902,864 4.623,865 5.242,866 5.918,867 6.527,868 6.912,869 7.336,870 7.743,871 8.001,872 8.145,873 0.875,874 56,875 12.14,877 5.572,878 7.735,879 22.957,881 19.811,883 2.235,884 71.528,888 247.193,889 152.484,890 54.326,891 39.149,892 44.313,894 37.085,895 115.399,896 330.655,897 54.326,898 17.65,899 8.423,900 90.152,901 77.503,902 25.371,903 0.746,904 278.471,905 39.149,906 247.193,907 169.725,908 44.313,909 76.234,911 247.193,912 44.313,915 48.985,916 87.549,917 78.147,918 31.278,919 247.193,920 98.639,921 191.633,923 5.807,924 247.193,925 62.693,926 87.108,927 34.416,928 100.247,929 247.193,930 98.639,931 191.633,933 0.6,934 0.35,935 0.198,936 0.116,937 29,938 13,939 0.068,940 4,941 2,942 1.16,943 4.187,944 314.092,945 0.16,946 25,947 154,948 1,950 1,951 21.899,952 8.453,953 4.225,954 3.556,955 98.639,956 13.058,957 4.648,960 1.254,961 4.156,963 34.416,964 537.465,965 48.5,968 -3.752,970 26.572,975 55.374,976 61.348,977 0.308,978 0.652,979 0.795,980 0.901,981 0.901,982 0.901,983 5.178,984 1.84,985 6.116,986 5.734,987 4.691,988 5.311,989 0.824,990 7.013,991 4.563,992 6.449,993 1.803,994 7.732,995 5.549,996 4.511,997 5.485,998 0.325,999 8.202,1000 4.292,1001 7.823,1002 1.361,1003 9.457,1004 4.858,1005 6.405,1006 7.722,1007 0.413,1008 11.303,1009 6.153,1010 9.238,1011 1.307,1012 11.247,1013 4.293,1014 7.013,1015 8.688,1016 0.268,1017 13.32,1018 6.66,1019 10.687,1020 1,1021 13.082,1022 3.048,1023 8.449,1024 10.477,1025 0.246,1026 16.016,1027 8.057,1028 12.161,1029 0.812,1030 14.948,1031 2.136,1032 9.403,1033 11.778,1034 0.188,1035 18.354,1036 8.91,1037 13.655,1038 0.758,1039 16.838,1040 2.103,1041 10.681,1042 13.411,1043 0.157,1044 20.934,1045 10.134,1046 3.492,1047 0.176,1048 18.747,1049 1.9,1050 11.787,1051 14.855,1052 0.125,1053 23.397,1054 11.14,1055 3.17,1056 13.079,1057 20.671,1058 0.474,1059 13.015,1060 16.433,1061 0.102,1062 25.949,1063 12.299,1064 2.95,1065 10.977,1066 22.607,1067 4.865,1068 14.186,1069 17.938,1070 0.082,1071 28.463,1072 13.373,1073 2.551,1074 10.071,1075 24.552,1076 4.514,1077 15.404,1078 19.497,1079 0.067,1080 31.012,1081 14.51,1082 2.317,1083 7.953,1084 26.506,1085 4.31,1086 16.604,1087 21.029,1088 0.054,1089 33.55,1090 15.614,1091 2.205,1092 6.838,1093 28.467,1094 3.246,1095 17.823,1096 22.584,1097 0.043,1098 36.103,1099 16.744,1100 1.966,1101 6.127,1102 30.434,1103 3.061,1104 19.038,1105 24.129,1106 0.035,1107 38.653,1108 17.863,1109 13133,1110 22313,1111 23.868,1112 39.699,1113 55.473,1114 56.933,1115 57.116,1116 55.596,1117 55.412,1118 74.583,1119 2.4,1120 170.278,1121 51.756,1122 5.94,1123 6.713,1124 7.243,1125 5.571,1126 5.492,1127 7.865,1128 1.2,1129 21.164,1130 5.158,1131 16.344,1132 1.541,1133 1.581,1134 1.587,1135 1.544,1136 1.539,1137 2.072,1138 0.067,1139 4.73,1140 1.438,1141 4.18,1142 4.175,1143 4.796,1144 4.216,1145 7.717,1146 4.13,1147 4.067,1148 4.083,1149 4.198,1150 4.009,1151 6.999,1152 4.009,1153 3.82,1154 3.85,1155 4.045,1156 3.768,1157 4.989,1158 3.679,1159 3.737,1160 3.755,1161 3.755,1162 3.56,1163 4.957,1164 3.56,1165 3.493,1166 3.533,1167 3.632,1168 3.394,1169 4.514,1170 3.385,1171 3.318,1172 3.359,1173 3.404,1174 3.237,1175 4.428,1176 3.183,1177 3.121,1178 3.206,1179 3.087,1180 2.983,1181 4.377,1182 2.953,1183 3.111,1184 3.202,1185 2.996,1186 2.956,1187 3.981,1188 2.91,1189 0.137,1190 0.131,1191 0.207,1192 0.122,1193 0.097,1194 4.94,1195 0.135,1196 4.713,1197 0.022,1198 7.441,1199 0.363,1200 4.396,1201 0.088,1202 3.492,1203 4.865,1204 0.8,1205 13.079,1206 3.158,1207 2.053,1208 2.032,1209 2.117,1210 2.151,1211 1.316,1212 2.149,1213 1.926,1214 1.915,1215 1.981,1216 1.971,1217 1.183,1218 1.991,1219 1.765,1220 1.802,1221 1.933,1222 1.945,1223 1.164,1224 1.955,1225 1.698,1226 1.638,1227 1.731,1228 1.808,1229 0.997,1230 1.865,1231 1.505,1232 1.458,1233 1.673,1234 1.633,1235 0.825,1236 1.668,1237 1.268,1238 1.241,1239 1.513,1240 1.467,1241 0.81,1242 1.516,1243 1.153,1244 1.064,1245 1.383,1246 1.376,1247 0.59,1248 1.429,1249 1.105,1250 1.036,1251 1.221,1252 1.327,1253 0.486,1254 1.344,1255 4.29,1257 5.666,1258 2.398,1259 7.235,1260 4.844,1261 8.892,1262 7.05,1263 10.596,1265 3.803,1266 6.115,1271 3.644,1272 6.15,1276 2.325,1280 36.985,1281 97.891,1282 207.369,1283 252.814,1284 286.465,1285 286.465,1286 286.465,1287 59.456,1288 8.334,1289 74.33,1290 110.95,1291 29,1292 12.984,1293 4.585,1294 3.755,1295 45.673,1296 133,1297 128,1298 0.168,1299 233.845,1300 391.11,1301 562.342,1302 52802,1303 1.8,1304 22.457,1305 0.702,1306 0.63,1307 23.561,1308 20.164,1309 15.315,1310 0.425,1311 0.363,1312 10.524,1313 13.497,1314 9.978,1315 8.226,1316 16.833,1317 13.08,1318 14.978,1319 0.277,1320 0.211,1321 17.319,1322 11.379,1323 12.337,1324 0.169,1325 0.126,1326 14.861,1327 9.233,1328 10.908,1329 0.107,1330 0.07,1331 13.379,1332 7.165,1333 9.234,1334 0.069,1335 0.041,1336 11.719,1337 5.488,1338 0.263,1339 110.22,1340 0.205,1341 29.553,1342 0.468,1343 180,1344 495.351,1345 275.486,1346 557.432,1347 760.52,1348 516,1349 217,1350 505.47,1351 313.987,1352 577.477,1353 852.56,1354 542,1355 6.5} {0 CHEMBL97450,1 1.279,2 12.364,3 5.144,4 26.46,5 93.714,6 5.817,7 0.435,8 3.986,9 4.136,10 3.322,11 3.49,12 4.879,13 3.415,14 4.563,15 4.781,16 3.569,17 3.871,18 5.346,19 3.745,20 4.835,21 5.12,22 3.558,23 3.96,24 5.521,25 3.79,26 4.797,27 5.078,28 3.477,29 3.915,30 5.486,31 3.736,32 4.764,33 5.056,34 3.388,35 3.825,36 5.469,37 3.633,38 4.683,39 4.975,40 3.233,41 3.729,42 5.364,43 3.536,44 4.577,45 4.867,46 3.134,47 3.642,48 5.273,49 3.44,50 4.5,51 4.798,52 2.996,53 3.555,54 5.123,55 3.344,56 0.076,57 0.71,58 13.107,59 5.214,60 8.865,61 7.578,62 0.151,63 1.106,64 22.362,65 8.666,66 16.484,67 12.641,68 0.219,69 1.276,70 27.995,71 10.465,72 23.297,73 15.444,74 0.207,75 1.235,76 26.995,77 10.015,78 21.883,79 14.87,80 0.277,81 1.153,82 25.993,83 9.52,84 25.861,85 14.085,86 0.223,87 1.044,88 23.937,89 8.52,90 22.141,91 12.686,92 0.235,93 0.948,94 21.501,95 7.859,96 23.13,97 11.647,98 0.167,99 0.869,100 19.625,101 7.258,102 15.507,103 10.77,104 20,105 28,106 0.218,107 0.51,108 0.703,109 0.793,110 0.854,111 0.885,112 3.144,113 1.145,114 -5.47,115 -5.35,116 -5,119 36.5,120 1,121 8,125 2,140 3,141 2,142 1,149 1,150 1,161 1,162 1,163 1,169 11,172 3,176 4,178 10,180 1,182 3,186 4,189 9,191 1,193 2,197 1,199 8,201 1,203 2,206 1,207 1,208 1,210 1,211 8,213 1,215 1,220 1,222 7,224 1,226 1,228 1,229 1,231 2,233 7,235 1,237 1,242 1,244 6,249 1,254 2,256 6,258 1,259 752,260 15.397,261 15.397,262 15.397,263 15.397,264 15.397,265 14.268,266 8.779,267 9.985,268 15.607,269 11.346,270 11.346,271 11.346,272 11.346,273 11.346,274 9.58,275 7.285,276 4.699,277 11.681,278 4.421,279 2.715,280 1.585,281 1.052,282 0.697,283 0.515,284 3.815,288 1,289 1,290 560,291 3.606,294 56.08,295 62.572,298 98.798,302 1.909,303 10.877,306 0.75,307 0.83,308 0.83,309 1,310 1,311 0.83,312 0.5,313 0.82,314 46,315 272,316 4.55,317 3.186,318 6.546,319 4.076,320 3.092,321 4.504,322 0.86,323 10.36,324 3.042,325 3.715,326 2.774,327 5.317,328 3.327,329 2.387,330 3.129,332 6.863,333 2.242,334 3.346,335 2.172,336 5.096,337 2.954,338 1.981,339 2.675,341 5.914,342 1.922,343 2.905,344 1.911,345 4.159,346 2.885,347 1.89,348 1.913,350 3.79,351 1.876,352 2.751,353 1.7,354 3.897,355 2.601,356 1.613,357 1.847,359 3.523,360 1.592,361 2.626,362 1.401,363 3.618,364 2.306,365 1.328,366 1.63,368 3.15,369 1.297,370 2.343,371 1.35,372 3.339,373 2.177,374 1.206,375 1.313,377 2.329,378 1.166,379 2.206,380 1.144,381 3.206,382 2.009,383 1.053,384 1.191,386 2.048,387 1.004,388 1.973,389 0.866,390 3.023,391 1.693,392 0.735,393 0.865,395 1.407,396 0.7,397 1.701,398 0.699,399 2.768,400 1.541,401 0.579,402 0.657,404 1.116,405 0.554,406 1.216,407 0.26,408 2.362,409 1.095,410 0.136,411 0.143,413 0.246,414 0.13,415 0.906,416 -0.038,417 2.157,418 0.691,419 -0.27,420 -0.3,422 -0.494,423 -0.258,424 0.678,425 -0.335,426 2,427 0.468,428 -0.495,429 -0.532,431 -0.874,432 -0.477,433 0.539,434 -0.606,435 1.87,436 0.216,437 -0.759,438 -0.871,440 -1.559,441 -0.731,442 0.364,443 -0.886,444 1.646,445 0.064,446 -0.917,447 -1.194,449 -2.163,450 -0.9,451 10.633,452 0.483,453 0.239,454 0.011,455 21.25,456 0.966,457 8.5,458 0.386,459 12.75,460 0.58,461 21.438,462 0.974,463 25.967,464 0.499,465 11.797,466 0.536,467 3.521,468 0.16,469 7.326,470 0.333,471 0.085,473 0.188,479 1.068,480 1.314,481 1.107,482 1.238,483 1.185,484 1.178,485 1.147,486 1.245,487 1.12,488 1.219,489 0.928,490 1.177,491 1.108,492 0.959,493 0.917,494 0.944,495 0.857,496 0.924,497 1.077,498 1.063,499 1.007,500 1.054,501 0.853,502 1.031,503 0.911,504 1.002,505 0.959,506 1.038,507 0.857,508 1.011,509 1.484,510 0.967,511 1.057,512 0.969,513 1.24,514 0.984,515 1.159,516 0.995,517 1.057,518 1.026,519 0.96,520 1.039,521 1.194,522 0.961,523 1.036,524 0.985,525 1.016,526 1.002,527 2.5,528 0.057,529 1.556,530 0.854,531 0.653,532 0.396,533 0.217,534 0.143,535 0.089,536 0.07,537 5516,538 9354,539 2.022,540 57.7,541 15,542 7,543 1,545 3,547 4,550 1.636,551 1.941,552 3.566,553 0.935,559 66.506,560 1.279,561 2.985,562 4.115,563 4.648,564 5.003,565 5.186,566 3.084,567 4.369,568 4.421,569 3.728,570 861.115,571 7.554,572 10318.4,577 296.423,578 1.096,579 4.414,580 0.109,581 0.005,582 0.056,583 0.032,584 0.027,585 0.019,586 0.012,587 0.009,588 0.006,589 0.005,590 0.279,591 0.5,592 0.75,593 2.565,594 105.514,595 -0.029,596 0.025,597 0.028,598 0.013,599 -0.055,600 0.027,601 -0.043,602 -0.099,603 -0.059,604 -0.093,605 0.026,606 -0.079,607 -0.01,608 0.02,609 0.076,610 0.058,611 0.057,612 0.072,613 -0.022,614 -0.068,615 -0.012,616 -0.048,617 0.01,618 -0.032,619 0.182,620 -0.038,621 0.026,622 -0.063,623 0.14,624 -0.037,625 -0.114,626 -0.02,627 -0.053,628 -0.008,629 -0.102,630 -0.025,631 0.045,632 -0.036,633 -0.065,634 -0.05,635 0.063,636 -0.067,637 -0.093,638 -0.019,639 -0.06,640 -0.016,641 -0.111,642 -0.034,643 0.823,644 2.399,645 0.409,646 23.488,647 0.979,648 1.135,649 4.245,650 18.019,651 0.618,652 3.178,653 3.367,654 3.584,655 3.807,656 3.951,657 3.989,658 4.043,659 4.06,660 3.912,661 3.85,662 7.014,663 0.56,664 302.51,665 3.178,666 4.635,667 5.434,668 6.26,669 7.093,670 7.94,671 8.792,672 9.652,673 10.515,674 11.384,675 3.8,676 1,683 1,687 2,688 4,690 1,693 2,695 10,712 1,714 52,716 10,717 1,718 23,720 53,721 19,722 8,723 3,724 3,730 2,731 3,736 2,743 8,745 8,746 11,764 30,765 2,766 3,767 3,773 2,777 0.5,778 1,788 1,792 1,793 1,796 1,812 1,819 1,823 1,827 22,828 1,833 10,835 1,847 1.9,852 1,854 11.333,855 9.083,856 5.306,857 3.715,858 2.048,859 1.314,860 0.949,861 7.646,862 8.567,863 3.367,864 3.855,865 4.438,866 5.045,867 5.524,868 5.833,869 6.174,870 6.472,871 6.198,872 6.148,873 1,874 27,875 8.172,877 3.224,878 7.394,879 16.466,881 13.178,883 1.894,884 41.667,885 0.001,887 1,888 317.82,889 86.422,890 49.683,892 11,895 86.422,896 328.82,897 49.683,898 8.825,899 59.872,900 37.476,902 38.787,903 13.915,904 306.049,906 317.82,907 136.105,908 11,911 270.735,912 58.084,915 85.482,916 50.622,919 317.82,920 60.683,921 86.422,924 317.82,925 40.12,926 46.301,927 16.786,928 43.897,929 317.82,930 60.683,931 86.422,933 0.532,934 0.3,935 0.166,936 0.09,937 10,938 4,939 0.208,940 11,941 1,942 1.222,943 3.65,944 148.557,945 0.222,946 9,947 98.107,951 17.202,952 9.779,953 5.532,954 2.397,955 43.897,956 8.331,958 3.29,961 2.246,963 49.683,964 464.924,965 28,975 50.901,976 59.019,977 0.224,978 0.524,979 0.722,980 0.815,981 0.878,982 0.91,983 4.527,984 1.053,985 5.333,986 2.329,987 4.043,988 4.538,989 0.908,990 6.043,991 3.987,992 5.652,993 0.735,994 6.812,995 2.048,996 3.219,997 4.227,999 6.783,1000 3.144,1001 6.911,1002 0.579,1003 8.407,1004 1.407,1005 5.501,1006 6.731,1007 0.739,1008 9.926,1009 5.398,1010 8.226,1011 0.136,1012 10.079,1013 1.116,1014 5.673,1015 7.453,1017 11.652,1018 5.555,1019 9.592,1020 -0.27,1021 11.804,1022 0.246,1023 7.287,1024 9.348,1025 0.593,1026 14.26,1027 7.148,1028 10.993,1029 -0.495,1030 13.568,1031 -0.494,1032 7.967,1033 10.518,1035 16.363,1036 7.819,1037 12.422,1038 -0.759,1039 15.358,1040 -0.874,1041 9.289,1042 12.179,1043 0.469,1044 18.796,1045 9.124,1046 3.092,1047 -0.917,1048 17.169,1049 -1.559,1050 10.217,1051 13.543,1053 21.044,1054 10.043,1055 2.387,1056 10.36,1057 18.995,1058 -2.163,1059 11.418,1060 15.11,1061 0.366,1062 23.417,1063 11.23,1064 1.981,1065 6.863,1066 20.832,1067 4.504,1068 12.458,1069 16.555,1071 25.72,1072 12.26,1073 1.89,1074 5.914,1075 22.678,1076 3.129,1077 13.612,1078 18.086,1079 0.283,1080 28.07,1081 13.4,1082 1.613,1083 3.79,1084 24.53,1085 2.675,1086 14.702,1087 19.565,1089 30.395,1090 14.478,1091 1.328,1092 3.523,1093 26.388,1094 1.913,1095 15.838,1096 21.081,1097 0.217,1098 32.738,1099 15.6,1100 1.206,1101 3.15,1102 28.251,1103 1.847,1104 16.949,1105 22.575,1107 35.07,1108 16.698,1109 5623,1110 7502,1111 15.485,1112 32.126,1113 31.885,1114 32.25,1115 33.245,1116 31.997,1117 32,1118 39.73,1119 1.72,1120 81.492,1121 31.051,1122 5.491,1123 5.186,1124 6.523,1125 5.135,1126 5.092,1127 7.504,1128 1.72,1129 17.015,1130 5.042,1131 9.078,1132 1.386,1133 1.402,1134 1.445,1135 1.391,1136 1.391,1137 1.727,1138 0.075,1139 3.543,1140 1.35,1141 4.13,1142 4.162,1143 4.088,1144 4.044,1145 5.037,1146 4.051,1147 3.796,1148 3.861,1149 3.631,1150 3.674,1151 4.958,1152 3.654,1153 3.632,1154 3.694,1155 3.488,1156 3.48,1157 4.583,1158 3.469,1159 3.543,1160 3.618,1161 3.379,1162 3.405,1163 4.218,1164 3.393,1165 3.394,1166 3.47,1167 3.229,1168 3.188,1169 4.077,1170 3.18,1171 3.273,1172 3.356,1173 3.079,1174 3.085,1175 3.94,1176 3.08,1177 3.021,1178 3.113,1179 2.827,1180 2.826,1181 3.767,1182 2.814,1183 2.924,1184 3.009,1185 2.723,1186 2.756,1187 3.614,1188 2.736,1189 0.198,1190 0.139,1191 0.285,1192 0.177,1193 0.134,1194 4.55,1195 0.196,1196 3.186,1197 0.037,1198 6.546,1199 0.45,1200 4.076,1201 0.132,1202 3.092,1203 4.504,1204 0.86,1205 10.36,1206 3.042,1207 1.937,1208 1.919,1209 2.06,1210 2.03,1211 1.41,1212 2.031,1213 1.801,1214 1.74,1215 2.019,1216 1.955,1217 1.237,1218 1.989,1219 1.652,1220 1.593,1221 1.914,1222 1.846,1223 1.213,1224 1.859,1225 1.628,1226 1.56,1227 1.849,1228 1.813,1229 1.018,1230 1.845,1231 1.376,1232 1.3,1233 1.698,1234 1.613,1235 0.955,1236 1.638,1237 1.279,1238 1.19,1239 1.523,1240 1.549,1241 0.664,1242 1.558,1243 1.069,1244 0.993,1245 1.438,1246 1.33,1247 0.555,1248 1.367,1249 0.94,1250 0.866,1251 1.204,1252 1.176,1253 0.385,1254 1.196,1255 3.85,1257 5.069,1258 2.398,1259 6.482,1260 4.727,1261 8.003,1262 6.823,1263 9.595,1265 2.258,1269 5.661,1271 11.585,1273 5.899,1280 29.133,1281 66.506,1282 155.22,1283 214,1284 241.694,1285 260.158,1286 269.668,1287 36.389,1288 6.519,1289 51.04,1290 51.04,1291 11,1292 11.931,1293 3.459,1294 2.585,1295 42.801,1296 90,1297 110,1298 0.226,1299 184.113,1300 310.97,1301 440.997,1302 5570,1304 15.623,1305 0.71,1306 0.63,1307 15.623,1308 13.866,1309 10.847,1310 0.472,1311 0.382,1312 8.712,1313 10.597,1314 8.504,1315 7.175,1316 10.847,1317 8.777,1318 8.493,1319 0.303,1320 0.215,1321 8.493,1322 6.03,1323 6.796,1324 0.194,1325 0.119,1326 6.796,1327 4.169,1328 5.495,1329 0.125,1330 0.065,1331 5.495,1332 2.859,1333 4.207,1334 0.082,1335 0.036,1336 4.207,1337 1.845,1338 0.372,1339 66.797,1340 0.254,1341 22.671,1342 0.574,1343 102,1344 217.381,1345 107.958,1346 212.575,1347 297.36,1348 202,1349 114,1350 220.849,1351 119.82,1352 224.165,1353 326.23,1354 213,1355 7.482} {0 CHEMBL97596,1 1.734,2 11.71,3 4.133,4 17.08,5 125.031,6 8.712,7 0.629,8 4.074,9 4.172,10 3.912,11 3.717,12 5.123,13 3.672,14 4.622,15 4.764,16 4.238,17 4.129,18 5.872,19 4.072,20 4.902,21 5.089,22 4.349,23 4.308,24 5.989,25 4.213,26 4.931,27 5.118,28 4.3,29 4.287,30 6.061,31 4.173,32 4.905,33 5.102,34 4.189,35 4.211,36 6.026,37 4.095,38 4.838,39 5.045,40 4.198,41 4.107,42 5.929,43 4,44 4.772,45 4.983,46 4.151,47 3.992,48 6.064,49 3.901,50 4.601,51 4.811,52 3.859,53 3.89,54 5.687,55 3.776,56 0.098,57 0.788,58 10.905,59 4.824,60 16.14,61 5.458,62 0.356,63 1.307,64 18.778,65 8.074,66 51.508,67 9.565,68 0.356,69 1.659,70 31.405,71 11.913,72 42.968,73 14.077,74 0.381,75 1.635,76 35.154,77 13.089,78 55.812,79 15.152,80 0.413,81 1.568,82 34.982,83 12.964,84 62.253,85 15.197,86 0.375,87 1.533,88 33.151,89 11.191,90 53.388,91 13.15,92 0.726,93 1.407,94 31.168,95 10.129,96 85.261,97 11.961,98 0.345,99 1.184,100 29.018,101 9.843,102 50.928,103 11.093,104 10,105 51,106 0.284,107 0.574,108 0.728,109 0.858,110 0.864,111 0.864,112 3.472,113 1.022,114 -3.9,115 -3.85,116 -3.66,119 44.2,125 4,140 10,141 3,142 4,143 1,144 1,169 9,171 1,172 5,174 2,176 2,178 14,182 7,184 1,186 4,189 13,192 1,193 9,197 2,199 8,203 9,206 2,208 5,211 6,215 2,220 2,222 8,225 4,226 6,229 1,231 3,233 8,237 4,241 1,242 1,244 8,249 4,256 8,259 1530,260 21.04,261 21.04,262 21.04,263 21.04,264 21.04,265 18.231,266 19.554,267 12.252,268 21.568,269 17.303,270 17.303,271 17.303,272 17.303,273 17.303,274 12.986,275 22.776,276 5.812,277 18.218,278 3.967,279 2.193,280 1.254,281 0.462,282 0.423,283 0.423,284 4.182,285 1,288 1,289 1,290 810,291 3.391,295 405.659,299 269.548,302 1.738,303 34.112,306 1,307 0.83,308 1,309 0.6,310 0.5,311 1,312 1,313 0.85,314 66.333,315 363,316 4.87,317 4.687,318 7.314,319 4.332,320 3.408,321 4.75,322 0.8,323 12.541,324 3.135,325 4.553,326 3.271,327 6.701,328 4.106,329 3.137,330 4.477,331 0.4,332 10.884,333 3.036,334 4.453,335 3.203,336 6.453,337 3.941,338 2.976,339 4.356,341 9.956,342 2.857,343 3.803,344 2.749,345 5.789,346 3.498,347 2.552,348 3.178,350 7.92,351 2.408,352 3.558,353 2.404,354 5.334,355 3.152,356 2.199,357 2.936,359 6.688,360 2.086,361 3.449,362 2.298,363 5.067,364 2.923,365 1.993,366 2.843,368 5.856,369 1.804,370 3.161,371 1.968,372 4.686,373 2.762,374 1.804,375 2.476,377 4.812,378 1.725,379 3.059,380 1.664,381 4.636,382 2.644,383 1.647,384 2.179,386 4.529,387 1.64,388 2.912,389 1.526,390 4.105,391 2.408,392 1.436,393 2.088,395 3.635,396 1.39,397 2.881,398 1.486,399 4.039,400 2.362,401 1.377,402 2.046,404 3.459,405 1.349,406 2.469,407 1.392,408 3.55,409 2.208,410 1.271,411 1.463,413 2.83,414 1.188,415 2.368,416 1.146,417 3.369,418 1.967,419 1,420 1.306,422 2.136,423 0.965,424 2.121,425 1.09,426 3.331,427 1.86,428 0.909,429 1.023,431 2.101,432 0.824,433 2,434 0.836,435 3.247,436 1.727,437 0.767,438 1,440 1.885,441 0.735,442 1.37,443 0.41,444 3.217,445 1,446 0.043,447 0.054,449 0.12,450 0.041,451 15.314,452 0.494,453 0.834,454 0.027,455 44.25,456 1.427,457 24,458 0.774,459 20.25,460 0.653,461 24.291,462 0.784,463 32.086,464 0.617,465 34.521,466 1.114,467 8.46,468 0.273,469 6.55,470 0.211,471 0.09,472 0.054,473 0.287,479 0.567,480 1.262,481 0.683,482 1.063,483 0.638,484 0.843,485 0.736,486 1.069,487 0.773,488 0.862,489 0.53,490 0.872,491 0.986,492 0.958,493 0.932,494 0.912,495 0.794,496 0.905,497 1.11,498 1.031,499 1.086,500 1.083,501 1.094,502 1.044,503 1.119,504 1.018,505 1.025,506 1.075,507 1.298,508 1.047,509 1.09,510 1.158,511 0.758,512 1.018,513 1.231,514 1.006,515 0.875,516 0.91,517 0.866,518 0.951,519 1.004,520 0.922,521 1.179,522 0.929,523 1.134,524 1.091,525 1.264,526 0.937,527 6.5,528 0.148,529 4.222,530 2.438,531 2.084,532 1.042,533 0.85,534 0.55,535 0.337,536 0.198,537 13581,538 37859,539 2.151,540 40.4,542 18,544 1,545 2,550 1.737,551 2.033,552 3.527,553 0.225,555 1,559 90.142,560 1.734,561 3.508,562 4.446,563 5.239,564 5.277,565 5.277,566 2.943,567 4.761,568 4.928,569 3.679,570 1710.66,571 8.608,572 23931,574 1,577 296.423,578 1.459,579 4.889,580 0.186,581 0.005,582 0.083,583 0.045,584 0.043,585 0.023,586 0.021,587 0.014,588 0.01,589 0.006,590 0.436,591 0.33,592 0.88,593 0.486,594 160.318,595 0.067,596 -0.126,597 0.139,598 -0.06,599 -0.137,600 0.037,601 0.134,602 0.036,603 -0.002,604 0.042,605 0.242,607 -0.098,608 0.08,609 -0.003,610 0.065,611 0.015,612 0.047,613 -0.101,614 -0.046,615 -0.068,616 -0.056,617 -0.018,618 -0.064,619 -0.06,620 -0.069,621 -0.051,622 -0.06,623 -0.075,624 -0.053,625 -0.065,626 -0.147,627 0.109,628 -0.033,629 -0.098,630 -0.039,631 0.341,632 0.123,633 0.107,634 0.019,635 0.259,636 0.027,637 -0.108,638 0.072,639 -0.075,640 0.007,641 -0.063,642 0.07,643 4.678,644 6.074,645 0.839,646 28.928,647 1.008,648 1.116,649 2.666,650 7.106,651 0.717,652 3.584,653 3.951,654 4.248,655 4.533,656 4.804,657 4.883,658 5.069,659 5.153,660 5.268,661 5.257,662 6.918,663 0.678,664 453,665 3.584,666 5.153,667 6.023,668 6.925,669 7.81,670 8.714,671 9.605,672 10.51,673 11.405,674 12.31,675 7.7,677 1,680 1,681 1,685 1,687 4,688 11,689 1,693 4,695 22,709 1,713 1,714 52,716 24,717 3,718 35,720 56,721 23,722 19,723 7,724 9,730 5,731 7,732 1,745 19,746 4,750 2,753 1,755 2,761 1,764 21,765 6,766 2,767 8,768 2,773 4,777 0.6,778 2,786 1,793 5,797 2,814 1,819 3,821 1,824 1,827 31,830 1,833 4,834 2,838 1,846 1,847 3.8,850 2,854 15.25,855 9.21,856 6.597,857 3.076,858 4.517,859 1.546,860 1.056,861 5.384,862 12.796,863 3.892,864 4.585,865 5.204,866 5.839,867 6.464,868 6.832,869 7.305,870 7.648,871 8.048,872 8.121,873 0.875,874 54,875 11.743,877 5.401,878 7.77,879 22.084,881 18.98,883 2.27,884 70.361,887 1,888 223.651,889 138.468,890 54.326,891 39.149,892 44.313,894 5.807,895 132.661,896 307.113,897 54.326,899 8.423,900 118.581,901 89.275,902 32.6,904 211.88,905 39.149,906 223.651,907 186.986,908 44.313,909 44.956,911 223.651,912 44.313,915 37.625,916 116.171,917 78.147,919 223.651,920 98.639,921 177.617,923 5.807,924 223.651,925 28.851,926 106.934,927 34.416,928 100.247,929 223.651,930 98.639,931 177.617,933 0.592,934 0.35,935 0.191,936 0.107,937 27,938 11,939 0.071,940 4,941 2,942 1.154,943 4.201,944 295.711,945 0.154,946 26,947 147.58,950 1,951 20.375,952 8.191,953 4.032,954 3.355,955 98.639,956 19.617,957 4.443,961 2.351,963 34.416,964 499.906,965 48,968 -3.761,970 26.149,975 52.414,976 58.013,977 0.304,978 0.615,979 0.78,980 0.919,981 0.926,982 0.926,983 5.145,984 1.647,985 6.043,986 4.812,987 4.635,988 5.273,989 0.824,990 6.917,991 4.536,992 6.397,993 1.436,994 7.644,995 4.529,996 4.369,997 5.366,998 0.325,999 8.1,1000 4.171,1001 7.758,1002 1.377,1003 9.36,1004 3.635,1005 6.326,1006 7.666,1007 0.413,1008 11.171,1009 6.122,1010 9.164,1011 1.271,1012 11.145,1013 3.459,1014 6.889,1015 8.584,1016 0.268,1017 13.18,1018 6.577,1019 10.606,1020 1,1021 12.975,1022 2.83,1023 8.35,1024 10.403,1025 0.246,1026 15.831,1027 8.024,1028 12.074,1029 0.909,1030 14.838,1031 2.136,1032 9.274,1033 11.671,1034 0.188,1035 18.141,1036 8.847,1037 13.562,1038 0.767,1039 16.722,1040 2.101,1041 10.555,1042 13.312,1043 0.157,1044 20.675,1045 10.094,1046 3.408,1047 0.043,1048 18.624,1049 1.885,1050 11.633,1051 14.73,1052 0.125,1053 23.099,1054 11.083,1055 3.137,1056 12.541,1057 20.538,1058 0.12,1059 12.85,1060 16.301,1061 0.102,1062 25.603,1063 12.249,1064 2.976,1065 10.884,1066 22.463,1067 4.75,1068 13.995,1069 17.782,1070 0.082,1071 28.074,1072 13.31,1073 2.552,1074 9.956,1075 24.395,1076 4.477,1077 15.193,1078 19.327,1079 0.067,1080 30.574,1081 14.446,1082 2.199,1083 7.92,1084 26.335,1085 4.356,1086 16.367,1087 20.836,1088 0.054,1089 33.067,1090 15.539,1091 1.993,1092 6.688,1093 28.28,1094 3.178,1095 17.562,1096 22.372,1097 0.043,1098 35.572,1099 16.664,1100 1.804,1101 5.856,1102 30.23,1103 2.936,1104 18.75,1105 23.894,1106 0.035,1107 38.076,1108 17.773,1109 12503,1110 21103,1111 23.75,1112 37.29,1113 52.912,1114 54.335,1115 54.248,1116 53.242,1117 53.04,1118 72.349,1119 2.4,1120 158.701,1121 50.365,1122 5.87,1123 6.687,1124 7.116,1125 5.399,1126 5.408,1127 7.75,1128 1.2,1129 19.987,1130 5.135,1131 12.307,1132 1.512,1133 1.552,1134 1.55,1135 1.521,1136 1.515,1137 2.067,1138 0.069,1139 4.534,1140 1.439,1141 4.171,1142 4.174,1143 4.739,1144 4.149,1145 7.717,1146 4.105,1147 4.059,1148 4.083,1149 4.083,1150 3.994,1151 6.999,1152 3.998,1153 3.843,1154 3.856,1155 4.034,1156 3.802,1157 5.009,1158 3.71,1159 3.742,1160 3.772,1161 3.634,1162 3.561,1163 4.976,1164 3.564,1165 3.429,1166 3.476,1167 3.477,1168 3.321,1169 4.509,1170 3.319,1171 3.29,1172 3.312,1173 3.332,1174 3.2,1175 4.425,1176 3.164,1177 3.111,1178 3.206,1179 3.187,1180 2.972,1181 4.372,1182 2.951,1183 3.043,1184 3.111,1185 2.944,1186 2.941,1187 4.194,1188 2.91,1189 0.139,1190 0.134,1191 0.209,1192 0.124,1193 0.097,1194 4.87,1195 0.136,1196 4.687,1197 0.023,1198 7.314,1199 0.358,1200 4.332,1201 0.09,1202 3.408,1203 4.75,1204 0.8,1205 12.541,1206 3.135,1207 2.095,1208 2.091,1209 2.126,1210 2.156,1211 1.324,1212 2.168,1213 2.037,1214 2.013,1215 2.108,1216 2.115,1217 1.3,1218 2.122,1219 1.731,1220 1.712,1221 1.932,1222 1.943,1223 1.161,1224 1.949,1225 1.653,1226 1.629,1227 1.635,1228 1.766,1229 0.863,1230 1.807,1231 1.421,1232 1.375,1233 1.587,1234 1.553,1235 0.825,1236 1.569,1237 1.226,1238 1.216,1239 1.513,1240 1.379,1241 0.654,1242 1.429,1243 1.153,1244 1.064,1245 1.242,1246 1.376,1247 0.441,1248 1.411,1249 1.024,1250 0.992,1251 1.211,1252 1.227,1253 0.326,1254 1.225,1255 4.263,1257 5.617,1259 7.18,1261 8.834,1263 10.534,1266 6.209,1271 3.633,1272 6.069,1276 2.297,1280 35.271,1281 90.142,1282 182.395,1283 231.204,1284 272.423,1285 274.423,1286 274.423,1287 54.54,1288 8.278,1289 74.33,1290 82.71,1291 30,1292 12.83,1293 4.644,1294 3.807,1295 43.66,1296 130,1297 117,1298 0.164,1299 219.787,1300 369.96,1301 528.04,1302 51373,1303 1.9,1304 21.424,1305 0.691,1306 0.589,1307 22.174,1308 18.249,1309 15.01,1310 0.429,1311 0.341,1312 10.116,1313 13.535,1314 9.77,1315 8.025,1316 16.12,1317 11.929,1318 14.131,1319 0.277,1320 0.189,1321 15.802,1322 9.617,1323 12.001,1324 0.174,1325 0.105,1326 13.45,1327 7.246,1328 10.31,1329 0.112,1330 0.058,1331 11.651,1332 5.309,1333 8.617,1334 0.071,1335 0.032,1336 9.739,1337 3.822,1338 0.257,1339 104.356,1340 0.205,1341 28.976,1342 0.449,1343 172,1344 478.491,1345 235.951,1346 520.736,1347 708.88,1348 482,1349 206,1350 480.375,1351 274.99,1352 535.393,1353 786.73,1354 504,1355 6.7} {0 CHEMBL97637,1 1.591,2 13.063,3 4.078,4 16.633,5 128.913,6 7.939,7 0.639,8 4.133,9 4.239,10 3.897,11 3.762,12 5.171,13 3.715,14 4.671,15 4.821,16 4.188,17 4.158,18 5.89,19 4.096,20 4.948,21 5.149,22 4.261,23 4.32,24 5.986,25 4.221,26 4.974,27 5.174,28 4.196,29 4.302,30 6.068,31 4.19,32 4.976,33 5.189,34 4.136,35 4.265,36 6.04,37 4.148,38 4.907,39 5.133,40 4.109,41 4.183,42 5.892,43 4.055,44 4.819,45 5.043,46 4.091,47 4.06,48 5.973,49 3.936,50 4.702,51 4.909,52 3.956,53 3.928,54 5.887,55 3.828,56 0.082,57 0.843,58 13.407,59 5.317,60 15.815,61 6.369,62 0.316,63 1.39,64 21.791,65 8.725,66 51.675,67 10.878,68 0.263,69 1.769,70 32.858,71 12.496,72 40.402,73 15.586,74 0.267,75 1.754,76 35.476,77 13.554,78 54.723,79 16.535,80 0.325,81 1.703,82 33.855,83 13.383,84 60.005,85 16.816,86 0.232,87 1.654,88 32.457,89 12.006,90 39.315,91 15.625,92 0.438,93 1.536,94 32.893,95 11.311,96 58.423,97 13.824,98 0.324,99 1.326,100 33.007,101 10.716,102 61.613,103 11.728,104 5,105 51,106 0.257,107 0.529,108 0.663,109 0.802,110 0.827,111 0.827,112 3.502,113 1.009,114 -3.77,115 -3.73,116 -3.55,119 44.6,125 4,140 13,141 3,142 3,143 1,144 1,169 13,171 1,172 5,174 2,176 2,178 17,182 7,184 1,186 4,189 16,192 1,193 9,197 2,199 10,203 7,206 2,208 4,211 11,215 2,220 2,222 10,225 4,226 6,229 1,231 3,233 6,237 8,241 1,242 3,244 6,249 6,254 1,256 8,259 1742,260 21.955,261 21.955,262 21.955,263 21.955,264 21.955,265 19.045,266 17.952,267 13.033,268 22.372,269 17.819,270 17.819,271 17.819,272 17.819,273 17.819,274 13.421,275 22.135,276 6.203,277 18.505,278 4.217,279 2.525,280 1.694,281 0.835,282 0.679,283 0.679,284 4.214,288 1,289 1,290 933,291 3.317,295 491.355,299 149.512,302 2.066,303 29.803,306 1,307 1,308 1,309 0.6,310 0.5,311 1,312 1,313 0.87,314 68,315 418,316 4.858,317 4.686,318 7.308,319 4.317,320 3.396,321 4.711,322 0.8,323 12.51,324 3.118,325 4.551,326 3.271,327 6.701,328 4.104,329 3.135,330 4.472,331 0.4,332 10.884,333 3.024,334 4.207,335 2.839,336 6.137,337 3.832,338 2.833,339 3.831,341 9.033,342 2.825,343 3.804,344 2.746,345 5.789,346 3.5,347 2.553,348 3.185,350 7.92,351 2.411,352 3.578,353 2.365,354 5.322,355 3.166,356 2.205,357 3.03,359 6.667,360 2.117,361 3.48,362 1.993,363 4.801,364 2.97,365 1.975,366 2.884,368 5.268,369 1.961,370 3.084,371 1.959,372 4.678,373 2.762,374 1.804,375 2.327,377 4.808,378 1.726,379 3.059,380 1.617,381 4.405,382 2.586,383 1.591,384 2.177,386 4.179,387 1.582,388 2.897,389 1.524,390 4.039,391 2.39,392 1.419,393 2.065,395 3.462,396 1.376,397 2.583,398 1.407,399 3.55,400 2.209,401 1.271,402 1.615,404 2.83,405 1.189,406 2.5,407 1.146,408 3.513,409 2.08,410 1.084,411 1.5,413 2.642,414 1.078,415 2.5,416 1.139,417 3.414,418 2,419 1,420 1.5,422 2.275,423 1,424 2.469,425 1,426 3.332,427 2,428 1,429 1.462,431 2.136,432 1,433 2.121,434 1,435 3.247,436 1.967,437 1,438 1.023,440 2.136,441 0.965,442 2,443 0.834,444 3.247,445 1.728,446 0.767,447 1,449 1.885,450 0.735,451 15.6,452 0.488,453 0.745,454 0.023,455 46.5,456 1.453,457 26,458 0.813,459 20.5,460 0.641,461 23.611,462 0.738,463 33,464 0.589,465 36.373,466 1.137,467 9.039,468 0.282,469 6.56,470 0.205,471 0.043,472 0.053,473 0.25,479 0.583,480 1.248,481 0.808,482 1.118,483 0.658,484 0.889,485 0.774,486 1.088,487 0.922,488 0.945,489 0.551,490 0.942,491 1,492 0.968,493 0.999,494 0.954,495 0.802,496 0.937,497 1.105,498 1.045,499 1.139,500 1.124,501 1.083,502 1.055,503 1.132,504 0.951,505 0.934,506 0.961,507 1.343,508 1.005,509 0.922,510 1.104,511 0.922,512 1.036,513 0.929,514 1.037,515 0.964,516 1.008,517 1.135,518 1.073,519 0.959,520 0.967,521 1.77,522 1.016,523 1.496,524 1.218,525 1.881,526 0.913,527 6,528 0.091,529 4,530 2.125,531 1.471,532 1.035,533 0.866,534 0.592,535 0.411,536 0.178,537 15596,538 38247,539 2.166,540 42.9,542 21,544 1,545 2,550 1.743,551 2.076,552 3.647,553 0.177,559 89.076,560 1.591,561 3.282,562 4.113,563 4.972,564 5.129,565 5.129,566 3.114,567 4.14,568 4.97,569 3.82,570 1894.66,571 8.685,572 27714.8,574 1,577 325.212,578 1.305,579 4.947,580 0.167,581 0.003,582 0.078,583 0.04,584 0.03,585 0.022,586 0.021,587 0.015,588 0.011,589 0.006,590 0.394,591 0.33,592 0.88,593 0.406,594 168.806,595 0.102,596 -0.118,597 0.202,598 -0.054,599 -0.143,600 0.038,601 0.186,602 0.013,603 -0.021,604 0.001,605 0.254,606 -0.038,607 -0.074,608 0.068,609 -0.002,610 0.04,611 0.02,612 0.025,613 -0.069,614 -0.054,615 -0.09,616 -0.09,617 0.018,618 -0.073,619 -0.044,620 -0.012,621 0.003,622 0.006,623 -0.103,624 -0.02,625 -0.013,626 -0.122,627 0.073,628 -0.049,629 -0.059,630 -0.048,631 0.235,632 0.039,633 0.074,634 0.001,635 0.185,636 0.008,637 -0.15,638 0.016,639 -0.085,640 -0.026,641 -0.038,642 0.069,643 4.629,644 6.027,645 0.875,646 34.77,647 1,648 1.116,649 2.535,650 6.428,651 0.7,652 3.611,653 3.951,654 4.234,655 4.5,656 4.754,657 4.812,658 5.011,659 5.106,660 5.193,661 5.231,662 7.512,663 0.66,664 444.6,665 3.611,666 5.165,667 6.023,668 6.911,669 7.784,670 8.677,671 9.557,672 10.451,673 11.335,674 12.23,675 7.1,677 1,680 1,681 1,685 1,687 2,688 14,689 1,693 5,695 23,709 1,714 56,716 25,717 3,718 36,720 60,721 25,722 21,723 6,724 12,730 5,731 6,745 21,746 4,750 2,753 1,755 2,764 24,765 6,766 2,767 7,768 1,773 4,777 0.8,778 2,786 1,793 5,797 1,814 1,819 4,821 1,827 32,830 1,833 4,834 2,838 1,847 3.6,850 2,854 15.417,855 9.817,856 6.903,857 3.311,858 4.338,859 1.528,860 1.048,861 5.729,862 12.554,863 3.922,864 4.57,865 5.153,866 5.757,867 6.347,868 6.646,869 7.14,870 7.49,871 7.852,872 8.058,873 0.889,874 53,875 12.101,877 5.477,878 7.706,879 22.937,881 19.498,883 2.206,884 70.583,887 1,888 258.964,889 164.621,890 54.326,892 44.313,894 5.807,895 158.814,896 303.277,897 54.326,899 8.423,900 147.009,901 89.275,902 30.324,904 247.193,906 258.964,907 213.14,908 44.313,909 5.807,911 258.964,912 44.313,915 37.625,916 142.324,917 38.998,919 258.964,920 98.639,921 164.621,923 5.807,924 258.964,925 26.575,926 135.363,927 34.416,928 61.098,929 258.964,930 98.639,931 164.621,933 0.583,934 0.342,935 0.187,936 0.103,937 26,938 10,939 0.083,940 5,941 1,942 1.071,943 4.38,944 300.85,945 0.071,946 28,947 146,950 1,951 20.804,952 8.812,953 4.458,954 1.783,955 98.639,956 26.105,957 4.451,961 3.846,963 34.416,964 522.224,965 49.5,968 -3.713,970 26.053,975 55.974,976 62.484,977 0.274,978 0.565,979 0.708,980 0.856,981 0.883,982 0.883,983 5.158,984 1.591,985 6.023,986 4.808,987 4.635,988 5.257,989 0.824,990 6.872,991 4.561,992 6.388,993 1.419,994 7.606,995 4.179,996 4.29,997 5.231,998 0.325,999 8.032,1000 4.133,1001 7.729,1002 1.271,1003 9.306,1004 3.462,1005 6.297,1006 7.584,1007 0.413,1008 11.095,1009 6.128,1010 9.117,1011 1.084,1012 11.081,1013 2.83,1014 6.815,1015 8.42,1016 0.268,1017 13.108,1018 6.544,1019 10.544,1020 1,1021 12.906,1022 2.642,1023 8.299,1024 10.264,1025 0.246,1026 15.751,1027 8.011,1028 11.999,1029 1,1030 14.764,1031 2.275,1032 9.197,1033 11.48,1034 0.188,1035 18.069,1036 8.808,1037 13.477,1038 1,1039 16.647,1040 2.136,1041 10.487,1042 13.131,1043 0.157,1044 20.6,1045 10.062,1046 3.396,1047 0.767,1048 18.548,1049 2.136,1050 11.552,1051 14.518,1052 0.125,1053 23.031,1054 11.033,1055 3.135,1056 12.51,1057 20.462,1058 1.885,1059 12.772,1060 16.093,1061 0.102,1062 25.536,1063 12.199,1064 2.833,1065 10.884,1066 22.388,1067 4.711,1068 13.91,1069 17.558,1070 0.082,1071 28.011,1072 13.249,1073 2.553,1074 9.033,1075 24.322,1076 4.472,1077 15.109,1078 19.103,1079 0.067,1080 30.514,1081 14.382,1082 2.205,1083 7.92,1084 26.263,1085 3.831,1086 16.28,1087 20.603,1088 0.054,1089 33.01,1090 15.467,1091 1.975,1092 6.667,1093 28.21,1094 3.185,1095 17.475,1096 22.139,1097 0.043,1098 35.516,1099 16.588,1100 1.804,1101 5.268,1102 30.163,1103 3.03,1104 18.661,1105 23.656,1106 0.035,1107 38.022,1108 17.69,1109 14322,1110 22643,1111 24.731,1112 39.193,1113 54.133,1114 55.014,1115 54.683,1116 54.204,1117 54.157,1118 73.678,1119 2.4,1120 157.518,1121 52.302,1122 5.858,1123 6.686,1124 7.11,1125 5.385,1126 5.396,1127 7.711,1128 1.2,1129 19.872,1130 5.118,1131 10.014,1132 1.504,1133 1.528,1134 1.519,1135 1.506,1136 1.504,1137 2.047,1138 0.067,1139 4.376,1140 1.453,1141 4.143,1142 4.153,1143 4.737,1144 4.107,1145 7.717,1146 4.06,1147 4.025,1148 4.038,1149 4.034,1150 3.972,1151 6.999,1152 3.962,1153 3.879,1154 3.887,1155 3.895,1156 3.836,1157 4.99,1158 3.787,1159 3.753,1160 3.821,1161 3.635,1162 3.571,1163 4.823,1164 3.577,1165 3.574,1166 3.594,1167 3.568,1168 3.483,1169 4.573,1170 3.441,1171 3.384,1172 3.405,1173 3.332,1174 3.289,1175 4.425,1176 3.269,1177 3.111,1178 3.206,1179 2.945,1180 2.941,1181 4.372,1182 2.91,1183 3.032,1184 3.111,1185 2.866,1186 2.864,1187 3.944,1188 2.871,1189 0.135,1190 0.13,1191 0.203,1192 0.12,1193 0.094,1194 4.858,1195 0.131,1196 4.686,1197 0.022,1198 7.308,1199 0.348,1200 4.317,1201 0.087,1202 3.396,1203 4.711,1204 0.8,1205 12.51,1206 3.118,1207 2.055,1208 2.041,1209 2.112,1210 2.149,1211 1.31,1212 2.151,1213 2.002,1214 1.986,1215 2.081,1216 2.063,1217 1.23,1218 2.084,1219 1.816,1220 1.811,1221 1.932,1222 1.947,1223 1.157,1224 1.958,1225 1.716,1226 1.645,1227 1.878,1228 1.882,1229 1.01,1230 1.91,1231 1.488,1232 1.473,1233 1.597,1234 1.645,1235 0.825,1236 1.661,1237 1.32,1238 1.317,1239 1.513,1240 1.45,1241 0.692,1242 1.485,1243 1.153,1244 1.064,1245 1.233,1246 1.376,1247 0.532,1248 1.429,1249 0.984,1250 0.926,1251 1.181,1252 1.228,1253 0.325,1254 1.225,1255 4.29,1257 5.624,1259 7.168,1261 8.799,1263 10.474,1271 3.663,1272 6.088,1276 2.307,1280 36.97,1281 89.076,1282 183.803,1283 230.351,1284 278.457,1285 287.212,1286 287.212,1287 53.514,1288 8.215,1289 74.33,1290 82.71,1291 30,1292 12.758,1293 4.7,1294 3.858,1295 45.846,1296 145,1297 150,1298 0.153,1299 227.711,1300 386.71,1301 547.375,1302 48434,1304 21.968,1305 0.687,1306 0.573,1307 22.218,1308 18.347,1309 15.599,1310 0.433,1311 0.336,1312 10.647,1313 14.417,1314 10.316,1315 8.521,1316 16.42,1317 12.112,1318 14.298,1319 0.28,1320 0.186,1321 15.599,1322 9.477,1323 12.083,1324 0.178,1325 0.104,1326 13.187,1327 7.097,1328 10.293,1329 0.116,1330 0.057,1331 11.315,1332 5.097,1333 8.514,1334 0.074,1335 0.031,1336 9.34,1337 3.619,1338 0.243,1339 104.717,1340 0.201,1341 30.099,1342 0.411,1343 174,1344 462.287,1345 222.431,1346 477.779,1347 662.81,1348 444,1349 206,1350 470.512,1351 263.279,1352 516.911,1353 755.47,1354 487,1355 6.8} {0 CHEMBL98965,1 1.78,2 11.656,3 5.153,4 26.554,5 132.761,6 8.856,7 0.583,8 4.125,9 4.221,10 3.998,11 3.788,12 5.139,13 3.72,14 4.687,15 4.835,16 4.393,17 4.221,18 5.893,19 4.127,20 4.939,21 5.126,22 4.505,23 4.378,24 5.971,25 4.258,26 4.957,27 5.123,28 4.452,29 4.405,30 6.03,31 4.267,32 5.022,33 5.196,34 4.471,35 4.384,36 6.184,37 4.244,38 5.036,39 5.241,40 4.339,41 4.271,42 6.167,43 4.148,44 4.884,45 5.103,46 4.225,47 4.136,48 6.081,49 4,50 4.696,51 4.906,52 4.031,53 4.03,54 5.716,55 3.888,56 0.097,57 0.84,58 11.746,59 5.401,60 15.629,61 6.091,62 0.372,63 1.421,64 24.758,65 9.87,66 53.353,67 11.044,68 0.422,69 1.769,70 36.749,71 13.34,72 37.958,73 15.186,74 0.271,75 1.795,76 39.951,77 15.291,78 33.632,79 16.623,80 0.446,81 1.833,82 45.981,83 16.215,84 69.559,85 17.087,86 0.623,87 1.813,88 45.035,89 14.147,90 87.67,91 15.535,92 0.785,93 1.557,94 38.851,95 12.331,96 89.993,97 14.638,98 0.319,99 1.339,100 32.642,101 11.313,102 43.052,103 13.057,104 18,105 53,106 0.289,107 0.62,108 0.772,109 0.854,110 0.854,111 0.854,112 3.503,113 1.102,114 -3.97,115 -3.92,116 -3.72,119 41.8,120 1,121 1,125 4,140 7,141 3,142 3,143 1,144 1,150 1,151 1,169 7,171 1,172 5,174 2,176 2,178 13,182 7,184 1,186 4,189 13,192 1,193 9,197 2,199 6,203 11,206 2,208 6,211 9,215 2,220 2,222 10,225 4,226 4,229 1,231 2,233 10,237 4,241 1,242 1,244 10,249 4,256 6,259 1616,260 21.703,261 21.703,262 21.703,263 21.703,264 21.703,265 19.024,266 21.922,267 12.562,268 22.402,269 17.744,270 17.744,271 17.744,272 17.744,273 17.744,274 13.49,275 23.379,276 5.894,277 18.981,278 4.002,279 1.959,280 1.026,281 0.523,282 0.523,283 0.523,284 4.21,285 1,289 1,290 827,291 3.606,294 66.87,295 341.27,298 130.605,299 137.14,302 1.637,303 35.535,306 1,307 0.83,308 1,309 0.8,310 0.5,311 1,312 1,313 0.88,314 68.333,315 373,316 4.945,317 4.715,318 7.454,319 4.406,320 3.5,321 4.869,322 0.8,323 13.179,324 3.169,325 4.558,326 3.272,327 6.702,328 4.112,329 3.142,330 4.481,331 0.4,332 10.889,333 3.048,334 4.445,335 3.148,336 6.535,337 3.919,338 2.959,339 4.312,341 10.241,342 2.824,343 3.803,344 2.781,345 5.789,346 3.494,347 2.549,348 3.183,350 7.918,351 2.403,352 3.653,353 2.722,354 5.455,355 3.201,356 2.279,357 3.071,359 6.824,360 2.098,361 3.519,362 2.34,363 5.179,364 3.069,365 2.127,366 2.891,368 6.195,369 1.984,370 3.325,371 2.104,372 4.962,373 2.823,374 1.913,375 2.661,377 5.74,378 1.725,379 3.059,380 1.967,381 4.684,382 2.761,383 1.804,384 2.18,386 4.81,387 1.646,388 2.907,389 1.528,390 4.636,391 2.398,392 1.436,393 2.077,395 4.307,396 1.38,397 2.861,398 1.486,399 4.042,400 2.289,401 1.358,402 2.006,404 3.463,405 1.248,406 2.469,407 1.388,408 3.738,409 2.208,410 1.271,411 1.463,413 2.83,414 1.188,415 2.287,416 1.146,417 3.549,418 1.967,419 1,420 1.213,422 2.217,423 0.965,424 2.12,425 1.136,426 3.33,427 1.868,428 0.94,429 1.022,431 2.136,432 0.847,433 2,434 0.833,435 3.247,436 1.725,437 0.766,438 1,440 1.882,441 0.732,442 1.562,443 0.619,444 3.203,445 1.24,446 0.315,447 0.384,449 0.552,450 0.276,451 16.148,452 0.505,453 0.885,454 0.028,455 42.75,456 1.336,457 22,458 0.688,459 20.75,460 0.648,461 30.154,462 0.942,463 33.652,464 0.612,465 32.579,466 1.018,467 7.744,468 0.242,469 7.715,470 0.241,471 0.116,472 0.052,473 0.303,479 0.571,480 1.234,481 0.693,482 1.003,483 0.637,484 0.85,485 0.715,486 0.995,487 0.691,488 0.759,489 0.503,490 0.81,491 0.947,492 0.905,493 0.884,494 0.882,495 0.835,496 0.84,497 0.909,498 1.167,499 1.158,500 1.268,501 0.89,502 1.093,503 1.239,504 1.152,505 1.085,506 1.199,507 1.459,508 1.094,509 1.59,510 1.032,511 0.951,512 0.93,513 1.822,514 1,515 0.843,516 0.83,517 0.962,518 0.901,519 0.878,520 0.959,521 0.906,522 0.972,523 0.978,524 1.064,525 0.983,526 0.956,527 7,528 0.197,529 4.222,530 2.944,531 2.646,532 1.073,533 1.025,534 0.462,535 0.387,536 0.31,537 14089,538 39512,539 2.127,540 41.8,541 5,542 15,544 1,545 2,550 1.747,551 1.99,552 3.504,553 0.239,559 97.891,560 1.78,561 3.822,562 4.756,563 5.259,564 5.259,565 5.259,566 2.894,567 4.75,568 4.975,569 3.643,570 1806.92,571 8.712,572 25579.3,577 317.975,578 1.54,579 4.926,580 0.194,581 0.006,582 0.08,583 0.053,584 0.048,585 0.021,586 0.023,587 0.012,588 0.011,589 0.009,590 0.456,591 0.33,592 0.75,593 0.688,594 166.233,595 0.067,596 -0.104,597 0.126,598 -0.026,599 -0.132,600 0.043,601 0.155,602 0.101,603 0.123,604 0.162,605 0.267,606 0.086,607 -0.041,608 0.141,609 0.089,610 0.121,611 -0.017,612 0.121,613 -0.034,614 -0.128,615 -0.108,616 -0.155,617 0.032,618 -0.104,619 -0.082,620 -0.153,621 -0.057,622 -0.117,623 -0.042,624 -0.116,625 -0.245,626 -0.05,627 -0.039,628 -0.002,629 -0.244,630 -0.064,631 0.288,632 0.156,633 0.03,634 0.025,635 0.21,636 0.004,637 -0.002,638 0.012,639 0.004,640 -0.019,641 -0.013,642 0.054,643 4.672,644 6.391,645 0.781,646 29.156,647 1.007,648 1.115,649 2.737,650 7.49,651 0.722,652 3.611,653 3.989,654 4.304,655 4.635,656 4.905,657 4.977,658 5.13,659 5.278,660 5.303,661 5.357,662 6.808,663 0.672,664 487.09,665 3.611,666 5.187,667 6.066,668 6.982,669 7.881,670 8.801,671 9.708,672 10.629,673 11.541,674 12.462,675 7.3,677 1,680 1,681 1,685 1,687 4,688 8,689 1,692 1,693 5,695 21,709 1,713 1,714 55,716 23,717 2,718 36,720 59,721 23,722 17,723 6,724 6,730 5,731 7,732 1,736 1,743 1,745 17,746 6,750 2,753 1,755 2,764 23,765 6,766 2,767 9,768 3,773 4,777 0.6,778 2,786 1,792 1,793 4,796 1,797 1,814 1,819 3,821 2,823 1,824 1,827 32,830 1,833 5,834 2,838 1,842 1,846 1,847 3.6,850 2,854 16.083,855 10.126,856 6.875,857 3.458,858 4.294,859 1.515,860 1.046,861 6.013,862 12.64,863 3.902,864 4.603,865 5.234,866 5.907,867 6.514,868 6.887,869 7.307,870 7.735,871 7.957,872 8.126,873 0.875,874 56,875 12.149,877 5.57,878 7.73,879 22.999,881 19.839,883 2.23,884 71.361,888 247.193,889 152.484,890 54.326,891 39.149,892 44.313,894 37.085,895 115.399,896 330.655,897 54.326,898 8.825,899 10.957,900 90.152,901 89.275,902 31.661,903 0.746,904 266.7,905 39.149,906 247.193,907 169.725,908 44.313,909 76.234,911 247.193,912 44.313,915 48.985,916 87.549,917 78.147,918 31.278,919 247.193,920 98.639,921 191.633,923 5.807,924 247.193,925 62.471,926 87.331,927 34.416,928 100.247,929 247.193,930 98.639,931 191.633,933 0.59,934 0.354,935 0.204,936 0.119,937 28,938 12,939 0.085,940 5,941 2,942 1.16,943 4.201,944 313.517,945 0.16,946 25,947 154,948 1,950 1,951 21.899,952 8.787,953 4.225,954 3.59,955 98.639,956 14.824,957 4.467,960 1.276,961 3.335,963 34.416,964 537.465,965 48.5,968 -3.756,970 26.781,975 55.374,976 61.348,977 0.308,978 0.661,979 0.823,980 0.91,981 0.91,982 0.91,983 5.166,984 1.804,985 6.094,986 5.74,987 4.673,988 5.291,989 0.824,990 6.991,991 4.544,992 6.425,993 1.436,994 7.708,995 4.81,996 4.443,997 5.427,998 0.325,999 8.199,1000 4.215,1001 7.794,1002 1.358,1003 9.433,1004 4.307,1005 6.382,1006 7.696,1007 0.413,1008 11.303,1009 6.129,1010 9.207,1011 1.271,1012 11.228,1013 3.463,1014 6.976,1015 8.654,1016 0.268,1017 13.344,1018 6.619,1019 10.657,1020 1,1021 13.068,1022 2.83,1023 8.43,1024 10.454,1025 0.246,1026 16.039,1027 8.039,1028 12.133,1029 0.94,1030 14.94,1031 2.217,1032 9.383,1033 11.755,1034 0.188,1035 18.393,1036 8.888,1037 13.629,1038 0.766,1039 16.836,1040 2.136,1041 10.669,1042 13.392,1043 0.157,1044 20.977,1045 10.121,1046 3.5,1047 0.315,1048 18.749,1049 1.882,1050 11.776,1051 14.837,1052 0.125,1053 23.451,1054 11.128,1055 3.142,1056 13.179,1057 20.678,1058 0.552,1059 13.009,1060 16.416,1061 0.102,1062 26.009,1063 12.291,1064 2.959,1065 10.889,1066 22.617,1067 4.869,1068 14.182,1069 17.921,1070 0.082,1071 28.533,1072 13.366,1073 2.549,1074 10.241,1075 24.566,1076 4.481,1077 15.402,1078 19.481,1079 0.067,1080 31.089,1081 14.505,1082 2.279,1083 7.918,1084 26.523,1085 4.312,1086 16.605,1087 21.014,1088 0.054,1089 33.636,1090 15.61,1091 2.127,1092 6.824,1093 28.487,1094 3.183,1095 17.826,1096 22.569,1097 0.043,1098 36.197,1099 16.742,1100 1.913,1101 6.195,1102 30.455,1103 3.071,1104 19.044,1105 24.115,1106 0.035,1107 38.756,1108 17.861,1109 13090,1110 22173,1111 24.156,1112 39.699,1113 54.654,1114 56.042,1115 56.678,1116 54.996,1117 54.791,1118 73.719,1119 2.4,1120 166.569,1121 51.137,1122 5.945,1123 6.715,1124 7.256,1125 5.581,1126 5.5,1127 7.869,1128 1.2,1129 21.272,1130 5.169,1131 14.561,1132 1.518,1133 1.557,1134 1.574,1135 1.528,1136 1.522,1137 2.048,1138 0.067,1139 4.627,1140 1.42,1141 4.182,1142 4.174,1143 4.796,1144 4.218,1145 7.717,1146 4.133,1147 4.061,1148 4.081,1149 4.2,1150 4,1151 6.999,1152 4.001,1153 3.819,1154 3.85,1155 4.034,1156 3.765,1157 4.997,1158 3.675,1159 3.735,1160 3.747,1161 3.756,1162 3.56,1163 4.96,1164 3.56,1165 3.478,1166 3.543,1167 3.632,1168 3.362,1169 4.507,1170 3.344,1171 3.393,1172 3.43,1173 3.333,1174 3.286,1175 4.425,1176 3.258,1177 3.111,1178 3.206,1179 3.267,1180 3.099,1181 4.371,1182 3.003,1183 3.101,1184 3.132,1185 2.947,1186 2.941,1187 4.043,1188 2.91,1189 0.137,1190 0.131,1191 0.207,1192 0.122,1193 0.097,1194 4.945,1195 0.135,1196 4.715,1197 0.022,1198 7.454,1199 0.366,1200 4.406,1201 0.088,1202 3.5,1203 4.869,1204 0.8,1205 13.179,1206 3.169,1207 2.047,1208 2.025,1209 2.111,1210 2.146,1211 1.309,1212 2.144,1213 1.931,1214 1.92,1215 1.996,1216 1.979,1217 1.23,1218 2,1219 1.769,1220 1.804,1221 1.932,1222 1.944,1223 1.163,1224 1.955,1225 1.702,1226 1.639,1227 1.802,1228 1.808,1229 1.042,1230 1.865,1231 1.479,1232 1.431,1233 1.6,1234 1.664,1235 0.825,1236 1.702,1237 1.361,1238 1.329,1239 1.513,1240 1.495,1241 0.808,1242 1.529,1243 1.153,1244 1.064,1245 1.322,1246 1.376,1247 0.633,1248 1.429,1249 1.014,1250 0.984,1251 1.217,1252 1.233,1253 0.333,1254 1.233,1255 4.29,1257 5.652,1258 2.398,1259 7.217,1260 4.844,1261 8.874,1262 7.066,1263 10.577,1265 1.961,1266 6.161,1271 4.252,1272 6.16,1276 2.309,1280 36.985,1281 97.891,1282 210.218,1283 261.568,1284 289.22,1285 289.22,1286 289.22,1287 59.853,1288 8.345,1289 74.33,1290 110.95,1291 29,1292 12.972,1293 4.585,1294 3.755,1295 45.65,1296 133,1297 124,1298 0.169,1299 233.845,1300 391.11,1301 562.342,1302 54253,1303 1.8,1304 22.294,1305 0.697,1306 0.623,1307 23.398,1308 19.949,1309 15.459,1310 0.429,1311 0.367,1312 10.663,1313 13.64,1314 10.191,1315 8.385,1316 16.977,1317 13.22,1318 14.545,1319 0.274,1320 0.21,1321 16.886,1322 11.133,1323 12.298,1324 0.168,1325 0.125,1326 14.763,1327 9.132,1328 10.89,1329 0.107,1330 0.072,1331 13.397,1332 7.348,1333 9.364,1334 0.07,1335 0.043,1336 12.037,1337 5.742,1338 0.264,1339 111.131,1340 0.203,1341 29.535,1342 0.471,1343 178,1344 491.351,1345 273.153,1346 552.382,1347 753.81,1348 512,1349 215,1350 499.117,1351 311.82,1352 569.264,1353 843.05,1354 536,1355 5.6}